0 B6R0.2 C/C(=C\C(=S)N)/N MCULE-9311101194 [0,0,0,0,0,0|2,1,1]=4 1 B6R0.2 C=C(C)C=C(C)C MCULE-1842732141 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.2 C=C(C)CC(=O)C MCULE-3534735279 [0,0,0,0,0,0|2,0,0]=2 3 B6R0.2 C=C(C)CC(=O)O MCULE-5404023928 [0,0,0,0,0,0|1,0,0]=1 4 B6R0.2 C=C(C)CC(C)C MCULE-5553118538 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.2 C=C(C)C[C@@H](C)O MCULE-8518319636 [0,0,0,0,0,0|2,0,1]=3 6 B6R0.2 C=C(C)C[C@H](C)O MCULE-7139115019 [0,0,0,0,0,0|2,0,1]=3 7 B6R0.2 C=C(C)OC(=O)C MCULE-9345377025 [0,0,0,0,0,0|3,0,0]=3 8 B6R0.2 C=C(I)CC(=O)O MCULE-3849925169 [0,0,0,0,0,0|1,0,1]=2 9 B6R0.2 CC(=CB(O)O)C MCULE-5305023524 [0,0,0,0,0,0|2,0,2]=4 10 B6R0.2 CC(=CC(=O)Cl)C MCULE-7644585609 [0,0,0,0,0,0|2,0,1]=3 11 B6R0.2 CC(=CC(=O)N)C MCULE-6264319579 [0,0,0,0,0,0|2,0,1]=3 12 B6R0.2 CC(=CC(=O)O)C MCULE-4772426340 [0,0,0,0,0,0|1,0,1]=2 13 B6R0.2 CC(=CC(=O)O)Cl MCULE-7503760292 [0,0,0,0,0,0|1,0,1]=2 14 B6R0.2 CC(=CC(=O)O)I MCULE-2652373771 [0,0,0,0,0,0|1,0,1]=2 15 B6R0.2 CC(=CC(=O)O)N MCULE-5894724848 [0,0,0,0,0,0|1,0,1]=2 16 B6R0.2 CC(=CC(=S)N)N MCULE-2731073832 [0,0,0,0,0,0|2,1,1]=4 17 B6R0.2 CC(=CC(C)O)C MCULE-5270694894 [0,0,0,0,0,0|2,0,2]=4 18 B6R0.2 CC(=CN(=O)=O)C MCULE-7745125648 [0,0,0,0,0,0|2,0,2]=4 19 B6R0.2 CC(=C[N+](=O)[O-])[O-] MCULE-1079281493 [0,0,0,0,0,0|1,0,3]=4 20 B6R0.2 CC(=C[N+](=O)[O-])[O-] MCULE-4355961794 [0,0,0,0,0,0|1,0,3]=4 21 B6R0.2 CC(=N)CC(=O)C MCULE-4678643052 [0,0,0,0,0,0|2,0,0]=2 22 B6R0.2 CC(=O)/C=C(/C)\N MCULE-1235186190 [0,0,0,0,0,0|2,0,1]=3 23 B6R0.2 CC(=O)/C=C(/C)\[O-] MCULE-3445340105 [0,0,0,0,0,0|1,0,2]=3 24 B6R0.2 CC(=O)/C=C(/C)\[O-] MCULE-7833799417 [0,0,0,0,0,0|1,0,2]=3 25 B6R0.2 CC(=O)/C=C(\C)/N MCULE-6412393370 [0,0,0,0,0,0|2,0,1]=3 26 B6R0.2 CC(=O)C=C(C)C MCULE-4922478422 [0,0,0,0,0,0|2,0,1]=3 27 B6R0.2 CC(=O)C=C(C)N MCULE-2247743178 [0,0,0,0,0,0|2,0,1]=3 28 B6R0.2 CC(=O)C=C(C)O MCULE-7345258397 [0,0,0,0,0,0|1,0,1]=2 29 B6R0.2 CC(=O)C=C(C)[O-] MCULE-7733093724 [0,0,0,0,0,0|1,0,2]=3 30 B6R0.2 CC(=O)CC(=O)C MCULE-6481204381 [0,0,0,0,0,0|1,0,0]=1 31 B6R0.2 CC(=O)CC(=O)N MCULE-1618058771 [0,0,0,0,0,0|1,0,0]=1 32 B6R0.2 CC(=O)CC(=O)O MCULE-2601276539 [0,0,0,0,0,0|0,0,0]=0 33 B6R0.2 CC(=O)CC(=O)[O-] MCULE-6317885864 [0,0,0,0,0,0|0,0,1]=1 34 B6R0.2 CC(=O)CC(=O)[O-] MCULE-8448177875 [0,0,0,0,0,0|0,0,1]=1 35 B6R0.2 CC(=O)CC(C)C MCULE-2172909634 [0,0,0,0,0,0|2,0,1]=3 36 B6R0.2 CC(=O)CC(C)N MCULE-1028280795 [0,0,0,0,0,0|2,0,1]=3 37 B6R0.2 CC(=O)CC(C)N MCULE-7911343070 [0,0,0,0,0,0|2,0,1]=3 38 B6R0.2 CC(=O)CC(C)O MCULE-5175367575 [0,0,0,0,0,0|1,0,1]=2 39 B6R0.2 CC(=O)CN(=O)=O MCULE-3153232896 [0,0,0,0,0,0|1,0,1]=2 40 B6R0.2 CC(=O)CN(C)C MCULE-8561521241 [0,0,0,0,0,0|3,0,0]=3 41 B6R0.2 CC(=O)C[C@@H](C)N MCULE-1260669737 [0,0,0,0,0,0|2,0,1]=3 42 B6R0.2 CC(=O)C[C@@H](C)N MCULE-6556661125 [0,0,0,0,0,0|2,0,1]=3 43 B6R0.2 CC(=O)NC(=N)N MCULE-9300028018 [0,0,0,0,0,0|3,0,0]=3 44 B6R0.2 CC(=O)NC(=O)C MCULE-3040534108 [0,0,0,0,0,0|2,0,0]=2 45 B6R0.2 CC(=O)NC(=O)N MCULE-8999775359 [0,0,0,0,0,0|2,0,0]=2 46 B6R0.2 CC(=O)NC(=S)N MCULE-8448117000 [0,0,0,0,0,0|2,1,0]=3 47 B6R0.2 CC(=O)NC(C)C MCULE-2095134698 [0,0,0,0,0,0|3,0,1]=4 48 B6R0.2 CC(=O)NN(C)C MCULE-3444969121 [0,0,0,0,0,0|4,0,0]=4 49 B6R0.2 CC(=O)NN(C)C MCULE-5383938091 [0,0,0,0,0,0|4,0,0]=4 50 B6R0.2 CC(=O)OC(=O)C MCULE-9184217748 [0,0,0,0,0,0|2,0,0]=2 51 B6R0.2 CC(=O)OC(C)Br MCULE-6494616843 [0,0,0,0,0,0|3,0,1]=4 52 B6R0.2 CC(=O)OC(C)C MCULE-6152257819 [0,0,0,0,0,0|3,0,1]=4 53 B6R0.2 CC(=O)OC(C)Cl MCULE-3738479003 [0,0,0,0,0,0|3,0,1]=4 54 B6R0.2 CC(=O)SC(=O)C MCULE-5749449964 [0,0,0,0,0,0|2,0,0]=2 55 B6R0.2 CC(=O)[CH-]C(=O)C MCULE-4855074933 [0,0,0,0,0,0|1,0,1]=2 56 B6R0.2 CC(=O)[CH-]C(=O)C MCULE-6905854247 [0,0,0,0,0,0|1,0,1]=2 57 B6R0.2 CC(Br)CC(=O)O MCULE-3353526571 [0,0,0,0,0,0|1,0,1]=2 58 B6R0.2 CC(Br)CC(=S)N MCULE-3013222937 [0,0,0,0,0,0|2,1,1]=4 59 B6R0.2 CC(C)CB(O)O MCULE-9748327681 [0,0,0,0,0,0|2,0,2]=4 60 B6R0.2 CC(C)CC(=N)N MCULE-1578322850 [0,0,0,0,0,0|3,0,1]=4 61 B6R0.2 CC(C)CC(=N)N MCULE-1643115412 [0,0,0,0,0,0|3,0,1]=4 62 B6R0.2 CC(C)CC(=N)N MCULE-9650824038 [0,0,0,0,0,0|3,0,1]=4 63 B6R0.2 CC(C)CC(=O)Cl MCULE-8821231794 [0,0,0,0,0,0|2,0,1]=3 64 B6R0.2 CC(C)CC(=O)N MCULE-7790849976 [0,0,0,0,0,0|2,0,1]=3 65 B6R0.2 CC(C)CC(=O)O MCULE-5805071360 [0,0,0,0,0,0|1,0,1]=2 66 B6R0.2 CC(C)CC(=S)N MCULE-7704222819 [0,0,0,0,0,0|2,1,1]=4 67 B6R0.2 CC(C)CC(C)O MCULE-9223768698 [0,0,0,0,0,0|2,0,2]=4 68 B6R0.2 CC(C)CN(=O)=O MCULE-1357840093 [0,0,0,0,0,0|2,0,2]=4 69 B6R0.2 CC(C)CS(=O)[O-] MCULE-3716652382 [0,0,0,0,0,0|2,0,2]=4 70 B6R0.2 CC(C)CS(=O)[O-] MCULE-7111094918 [0,0,0,0,0,0|2,0,2]=4 71 B6R0.2 CC(C)C[C@@H](C)O MCULE-3150675602 [0,0,0,0,0,0|2,0,2]=4 72 B6R0.2 CC(C)C[C@@H](C)O MCULE-4011042896 [0,0,0,0,0,0|2,0,2]=4 73 B6R0.2 CC(C)NC(=O)N MCULE-2725741897 [0,0,0,0,0,0|3,0,1]=4 74 B6R0.2 CC(C)OC(=O)Cl MCULE-3303340398 [0,0,0,0,0,0|3,0,1]=4 75 B6R0.2 CC(C)OC(=O)N MCULE-9996500963 [0,0,0,0,0,0|3,0,1]=4 76 B6R0.2 CC(C)SC(=O)Cl MCULE-9803882280 [0,0,0,0,0,0|3,0,1]=4 77 B6R0.2 CC(Cl)CC(=O)Cl MCULE-3323045052 [0,0,0,0,0,0|2,0,1]=3 78 B6R0.2 CC(Cl)CC(=O)O MCULE-1436146199 [0,0,0,0,0,0|1,0,1]=2 79 B6R0.2 CC(Cl)OC(=O)Cl MCULE-8020850544 [0,0,0,0,0,0|3,0,1]=4 80 B6R0.2 CC(F)CC(=O)O MCULE-9214258715 [0,0,0,0,0,0|1,0,1]=2 81 B6R0.2 CC(N)CC(=O)N MCULE-8604112274 [0,0,0,0,0,0|2,0,1]=3 82 B6R0.2 CC(N)CC(=O)N MCULE-8651032460 [0,0,0,0,0,0|2,0,1]=3 83 B6R0.2 CC(N)CC(=O)O MCULE-2960589915 [0,0,0,0,0,0|1,0,1]=2 84 B6R0.2 CC(N)CC(=O)O MCULE-5772407106 [0,0,0,0,0,0|1,0,1]=2 85 B6R0.2 CC(N)CC(=O)O MCULE-7818257350 [0,0,0,0,0,0|1,0,1]=2 86 B6R0.2 CC(N)CC(=O)O MCULE-7847644131 [0,0,0,0,0,0|1,0,1]=2 87 B6R0.2 CC(N)CC(C)O MCULE-7772080010 [0,0,0,0,0,0|2,0,2]=4 88 B6R0.2 CC(N)CS(=O)C MCULE-1278482312 [0,0,0,0,0,0|3,0,1]=4 89 B6R0.2 CC(O)CC(=O)N MCULE-7442557911 [0,0,0,0,0,0|1,0,2]=3 90 B6R0.2 CC(O)CC(=O)O MCULE-3566732882 [0,0,0,0,0,0|0,0,2]=2 91 B6R0.2 CC(O)CC(=O)O MCULE-6537877725 [0,0,0,0,0,0|0,0,2]=2 92 B6R0.2 CC(O)CC(=O)[O-] MCULE-1109368801 [0,0,0,0,0,0|0,0,3]=3 93 B6R0.2 CC(O)CC(=O)[O-] MCULE-5681138302 [0,0,0,0,0,0|0,0,3]=3 94 B6R0.2 CC(O)CC(C)O MCULE-1652556328 [0,0,0,0,0,0|1,0,3]=4 95 B6R0.2 CC(O)CN(=O)=O MCULE-1592317283 [0,0,0,0,0,0|1,0,3]=4 96 B6R0.2 CC(O)CN(C)C MCULE-6531222530 [0,0,0,0,0,0|3,0,1]=4 97 B6R0.2 CC(O)CN(C)C MCULE-7127620454 [0,0,0,0,0,0|3,0,1]=4 98 B6R0.2 CC(O)CN(C)N MCULE-6197492770 [0,0,0,0,0,0|3,0,1]=4 99 B6R0.2 CC(O)CS(=O)C MCULE-2365161952 [0,0,0,0,0,0|2,0,1]=3 100 B6R0.2 CN(C)CC(=O)Cl MCULE-2168217529 [0,0,0,0,0,0|3,0,0]=3 101 B6R0.2 CN(C)CC(=O)Cl MCULE-6810056185 [0,0,0,0,0,0|3,0,0]=3 102 B6R0.2 CN(C)CC(=O)N MCULE-3894706713 [0,0,0,0,0,0|3,0,0]=3 103 B6R0.2 CN(C)CC(=O)O MCULE-2303978039 [0,0,0,0,0,0|2,0,0]=2 104 B6R0.2 CN(C)CC(=O)O MCULE-3368936600 [0,0,0,0,0,0|2,0,0]=2 105 B6R0.2 CN(C)CC(=O)[O-] MCULE-3077067854 [0,0,0,0,0,0|2,0,1]=3 106 B6R0.2 CN(C)CC(=S)N MCULE-3863789639 [0,0,0,0,0,0|3,1,0]=4 107 B6R0.2 CN(C)CC(=S)N MCULE-8756068308 [0,0,0,0,0,0|3,1,0]=4 108 B6R0.2 CN(C)NC(=O)N MCULE-4462686977 [0,0,0,0,0,0|4,0,0]=4 109 B6R0.2 C[C@@H](N)CC(=O)O MCULE-2652696372 [0,0,0,0,0,0|1,0,1]=2 110 B6R0.2 C[C@@H](N)CC(=O)O MCULE-7054489636 [0,0,0,0,0,0|1,0,1]=2 111 B6R0.2 C[C@@H](N)CC(=O)O MCULE-7621851215 [0,0,0,0,0,0|1,0,1]=2 112 B6R0.2 C[C@@H](N)CC(=O)O MCULE-8671397640 [0,0,0,0,0,0|1,0,1]=2 113 B6R0.2 C[C@@H](O)CC(=O)O MCULE-2545577683 [0,0,0,0,0,0|0,0,2]=2 114 B6R0.2 C[C@@H](O)CC(=O)O MCULE-4159227891 [0,0,0,0,0,0|0,0,2]=2 115 B6R0.2 C[C@@H](O)CC(=O)[O-] MCULE-7081161048 [0,0,0,0,0,0|0,0,3]=3 116 B6R0.2 C[C@@H](O)CC(=O)[O-] MCULE-7886150665 [0,0,0,0,0,0|0,0,3]=3 117 B6R0.2 C[C@@H](O)CN(C)C MCULE-3114172439 [0,0,0,0,0,0|3,0,1]=4 118 B6R0.2 C[C@@H](O)CN(C)C MCULE-9927679143 [0,0,0,0,0,0|3,0,1]=4 119 B6R0.2 C[C@@H](O)C[C@@H](C)O MCULE-3504626196 [0,0,0,0,0,0|1,0,3]=4 120 B6R0.2 C[C@@H](O)C[C@@H](C)O MCULE-4671148975 [0,0,0,0,0,0|1,0,3]=4 121 B6R0.2 C[C@@H](O)C[C@@H](C)O MCULE-8345849773 [0,0,0,0,0,0|1,0,3]=4 122 B6R0.2 C[C@H](Br)CC(=O)O MCULE-1601745040 [0,0,0,0,0,0|1,0,1]=2 123 B6R0.2 C[C@H](Br)CC(=O)O MCULE-2894930407 [0,0,0,0,0,0|1,0,1]=2 124 B6R0.2 C[C@H](N)CC(=O)O MCULE-2656839691 [0,0,0,0,0,0|1,0,1]=2 125 B6R0.2 C[C@H](N)CC(=O)O MCULE-4695512293 [0,0,0,0,0,0|1,0,1]=2 126 B6R0.2 C[C@H](N)CC(=O)O MCULE-5288044169 [0,0,0,0,0,0|1,0,1]=2 127 B6R0.2 C[C@H](N)CC(=O)O MCULE-6641912058 [0,0,0,0,0,0|1,0,1]=2 128 B6R0.2 C[C@H](O)CC(=O)O MCULE-2857686566 [0,0,0,0,0,0|0,0,2]=2 129 B6R0.2 C[C@H](O)CC(=O)O MCULE-3362266278 [0,0,0,0,0,0|0,0,2]=2 130 B6R0.2 C[C@H](O)CC(=O)[O-] MCULE-3624690550 [0,0,0,0,0,0|0,0,3]=3 131 B6R0.2 C[C@H](O)CC(=O)[O-] MCULE-5550257128 [0,0,0,0,0,0|0,0,3]=3 132 B6R0.2 C[C@H](O)CN(C)C MCULE-4542650002 [0,0,0,0,0,0|3,0,1]=4 133 B6R0.2 C[C@H](O)CN(C)C MCULE-4717676519 [0,0,0,0,0,0|3,0,1]=4 134 B6R0.2 C[C@H](O)C[C@H](C)O MCULE-1267135444 [0,0,0,0,0,0|1,0,3]=4 135 B6R0.2 C[C@H](O)C[C@H](C)O MCULE-5878966333 [0,0,0,0,0,0|1,0,3]=4 136 B6R0.2 C[S+](C)CC(=O)[O-] MCULE-1975585935 [0,0,0,0,0,0|2,0,1]=3 137 B6R0.2 C[S+](C)CC(=O)[O-] MCULE-7679949306 [0,0,0,0,0,0|2,0,1]=3 138 B6R0.2 N=C(N)CC(=N)N MCULE-4863741442 [0,0,0,0,0,0|4,0,0]=4 139 B6R0.2 N=C(N)CC(=N)N MCULE-8523596922 [0,0,0,0,0,0|4,0,0]=4 140 B6R0.2 N=C(N)CC(=O)N MCULE-9200673939 [0,0,0,0,0,0|3,0,0]=3 141 B6R0.2 N=C(N)NC(=O)N MCULE-1919966850 [0,0,0,0,0,0|4,0,0]=4 142 B6R0.2 N=C(N)NC(=O)N MCULE-3428379172 [0,0,0,0,0,0|4,0,0]=4 143 B6R0.2 N=C(N)NC(=O)N MCULE-6044803486 [0,0,0,0,0,0|4,0,0]=4 144 B6R0.2 N=C(N)NC(=O)N MCULE-8893931961 [0,0,0,0,0,0|4,0,0]=4 145 B6R0.2 N=C([NH3+])CC(=O)N MCULE-7769639649 [0,0,0,0,0,0|3,0,0]=3 146 B6R0.2 NC(=O)CC(=O)N MCULE-7675159766 [0,0,0,0,0,0|2,0,0]=2 147 B6R0.2 NC(=O)CC(=O)O MCULE-1168254626 [0,0,0,0,0,0|1,0,0]=1 148 B6R0.2 NC(=O)CC(=S)N MCULE-9383188328 [0,0,0,0,0,0|2,1,0]=3 149 B6R0.2 NC(=O)CN(=O)=O MCULE-2051107739 [0,0,0,0,0,0|2,0,1]=3 150 B6R0.2 NC(=O)CN(=O)=O MCULE-6284821429 [0,0,0,0,0,0|2,0,1]=3 151 B6R0.2 NC(=O)NC(=O)N MCULE-4571627886 [0,0,0,0,0,0|3,0,0]=3 152 B6R0.2 NC(=S)CC(=S)N MCULE-2555051271 [0,0,0,0,0,0|2,2,0]=4 153 B6R0.2 NC(F)CC(=O)O MCULE-1563194776 [0,0,0,0,0,0|2,0,1]=3 154 B6R0.2 NC(F)CC(=O)O MCULE-1655564430 [0,0,0,0,0,0|2,0,1]=3 155 B6R0.2 O=C(Cl)CC(=O)Cl MCULE-8779098368 [0,0,0,0,0,0|2,0,0]=2 156 B6R0.2 O=C(O)C=C(Br)Br MCULE-4379078717 [0,0,0,0,0,0|2,0,1]=3 157 B6R0.2 O=C(O)C=C(Cl)Cl MCULE-5096440659 [0,0,0,0,0,0|2,0,1]=3 158 B6R0.2 O=C(O)CB(O)O MCULE-6408403753 [0,0,0,0,0,0|2,0,1]=3 159 B6R0.2 O=C(O)CC(=O)O MCULE-5893043131 [0,0,0,0,0,0|1,0,0]=1 160 B6R0.2 O=C(O)CC(F)F MCULE-9388620099 [0,0,0,0,0,0|2,0,1]=3 161 B6R0.2 O=C(O)CN(=O)=O MCULE-4962751453 [0,0,0,0,0,0|2,0,0]=2 162 B6R0.2 O=C([O-])CC(=O)[O-] MCULE-2327820884 [0,0,0,0,0,0|1,0,1]=2 163 B6R0.2 O=C([O-])CC(=O)[O-] MCULE-6849635529 [0,0,0,0,0,0|1,0,1]=2 164 B6R0.2 O=C([O-])CN(=O)=O MCULE-4674762686 [0,0,0,0,0,0|2,0,1]=3 165 B5R0.1 C#CCC(=O)O MCULE-4680699666 [1,0,0,0,0,0|0,0,2]=3 166 B5R0.1 C(C)(N)CCO MCULE-5545469271 [1,0,0,0,0,0|1,0,2]=4 167 B5R0.1 C/C=C/B(O)O MCULE-6649221952 [1,0,0,0,0,0|1,0,2]=4 168 B5R0.1 C/C=C/C(=O)C MCULE-2109656516 [1,0,0,0,0,0|1,0,1]=3 169 B5R0.1 C/C=C/C(=O)Cl MCULE-8378824386 [1,0,0,0,0,0|1,0,1]=3 170 B5R0.1 C/C=C/C(=O)N MCULE-2532228624 [1,0,0,0,0,0|1,0,1]=3 171 B5R0.1 C/C=C/C(=O)O MCULE-6937494852 [1,0,0,0,0,0|0,0,1]=2 172 B5R0.1 C/C=C/C(C)O MCULE-3191147789 [1,0,0,0,0,0|1,0,2]=4 173 B5R0.1 C/C=C\B(O)O MCULE-3000711987 [1,0,0,0,0,0|1,0,2]=4 174 B5R0.1 C=C(Br)CCO MCULE-3743908958 [1,0,0,0,0,0|1,0,2]=4 175 B5R0.1 C=C(Br)COC MCULE-5349428431 [1,0,0,0,0,0|3,0,0]=4 176 B5R0.1 C=C(C)CCBr MCULE-3439794005 [1,0,0,0,0,0|2,0,1]=4 177 B5R0.1 C=C(C)CCC MCULE-8225129744 [1,0,0,0,0,0|2,0,1]=4 178 B5R0.1 C=C(C)CCCl MCULE-2816016781 [1,0,0,0,0,0|2,0,1]=4 179 B5R0.1 C=C(C)CCI MCULE-6317205481 [1,0,0,0,0,0|2,0,1]=4 180 B5R0.1 C=C(C)CCN MCULE-4037025602 [1,0,0,0,0,0|2,0,1]=4 181 B5R0.1 C=C(C)CCN MCULE-5001503744 [1,0,0,0,0,0|2,0,1]=4 182 B5R0.1 C=C(C)CCO MCULE-2689800711 [1,0,0,0,0,0|1,0,1]=3 183 B5R0.1 C=C(C)CNC MCULE-6783886553 [1,0,0,0,0,0|3,0,0]=4 184 B5R0.1 C=C(C)CNC MCULE-8292313282 [1,0,0,0,0,0|3,0,0]=4 185 B5R0.1 C=C(C)CNN MCULE-1117931770 [1,0,0,0,0,0|3,0,0]=4 186 B5R0.1 C=C(C)CON MCULE-2773974323 [1,0,0,0,0,0|3,0,0]=4 187 B5R0.1 C=C(C)CON MCULE-5978680243 [1,0,0,0,0,0|3,0,0]=4 188 B5R0.1 C=CC=C(C)C MCULE-7590870659 [1,0,0,0,0,0|2,0,1]=4 189 B5R0.1 C=CCB(O)O MCULE-2306600658 [1,0,0,0,0,0|1,0,2]=4 190 B5R0.1 C=CCC(=C)C MCULE-6294070836 [1,0,0,0,0,0|2,0,0]=3 191 B5R0.1 C=CCC(=N)N MCULE-6305125234 [1,0,0,0,0,0|2,0,1]=4 192 B5R0.1 C=CCC(=O)Cl MCULE-6033189203 [1,0,0,0,0,0|1,0,1]=3 193 B5R0.1 C=CCC(=O)N MCULE-1205335257 [1,0,0,0,0,0|1,0,1]=3 194 B5R0.1 C=CCC(=O)O MCULE-6288979337 [1,0,0,0,0,0|0,0,1]=2 195 B5R0.1 C=CCC(C)Br MCULE-5638987302 [1,0,0,0,0,0|2,0,1]=4 196 B5R0.1 C=CCC(C)C MCULE-4586731422 [1,0,0,0,0,0|2,0,1]=4 197 B5R0.1 C=CCC(C)N MCULE-5354228552 [1,0,0,0,0,0|2,0,1]=4 198 B5R0.1 C=CCC(C)N MCULE-9454660067 [1,0,0,0,0,0|2,0,1]=4 199 B5R0.1 C=CCC(C)O MCULE-7724200334 [1,0,0,0,0,0|1,0,2]=4 200 B5R0.1 C=CCC(C)O MCULE-9910771503 [1,0,0,0,0,0|1,0,2]=4 201 B5R0.1 C=CCN(C)C MCULE-6958853335 [1,0,0,0,0,0|3,0,0]=4 202 B5R0.1 C=CC[C@@H](C)O MCULE-1663575568 [1,0,0,0,0,0|1,0,2]=4 203 B5R0.1 C=CC[C@@H](C)O MCULE-3971480179 [1,0,0,0,0,0|1,0,2]=4 204 B5R0.1 C=CC[C@H](C)N MCULE-2398654329 [1,0,0,0,0,0|2,0,1]=4 205 B5R0.1 C=CC[C@H](C)N MCULE-5817451810 [1,0,0,0,0,0|2,0,1]=4 206 B5R0.1 C=CC[C@H](C)O MCULE-5783959808 [1,0,0,0,0,0|1,0,2]=4 207 B5R0.1 C=CC[C@H](C)O MCULE-6146696600 [1,0,0,0,0,0|1,0,2]=4 208 B5R0.1 C=CNC(=O)C MCULE-1260296806 [1,0,0,0,0,0|2,0,0]=3 209 B5R0.1 C=CNC(=O)N MCULE-4235216182 [1,0,0,0,0,0|2,0,1]=4 210 B5R0.1 C=COC(=O)C MCULE-7626795765 [1,0,0,0,0,0|2,0,0]=3 211 B5R0.1 C=COC(=O)Cl MCULE-9915729615 [1,0,0,0,0,0|2,0,1]=4 212 B5R0.1 C=C[CH+]C(=O)[O-] MCULE-7935071431 [1,0,0,0,0,0|0,0,3]=4 213 B5R0.1 C=NCC(=O)N MCULE-7609497329 [1,0,0,0,0,0|2,0,1]=4 214 B5R0.1 CC#CC(=O)C MCULE-4083248904 [1,0,0,0,0,0|1,0,2]=4 215 B5R0.1 CC#CC(=O)Cl MCULE-6807810093 [1,0,0,0,0,0|1,0,2]=4 216 B5R0.1 CC#CC(=O)O MCULE-9994142213 [1,0,0,0,0,0|0,0,2]=3 217 B5R0.1 CC(=CC=O)C MCULE-7002222435 [1,0,0,0,0,0|1,0,1]=3 218 B5R0.1 CC(=CC=O)Cl MCULE-2279693190 [1,0,0,0,0,0|1,0,1]=3 219 B5R0.1 CC(=CC=O)N MCULE-2659507627 [1,0,0,0,0,0|1,0,1]=3 220 B5R0.1 CC(=CCO)C MCULE-3984123588 [1,0,0,0,0,0|1,0,2]=4 221 B5R0.1 CC(=CCO)Cl MCULE-6459066496 [1,0,0,0,0,0|1,0,2]=4 222 B5R0.1 CC(=CCO)I MCULE-4600854759 [1,0,0,0,0,0|1,0,2]=4 223 B5R0.1 CC(=O)/C=N/O MCULE-5424156575 [1,0,0,0,0,0|1,0,1]=3 224 B5R0.1 CC(=O)/C=N\O MCULE-9083768531 [1,0,0,0,0,0|1,0,1]=3 225 B5R0.1 CC(=O)C=C=O MCULE-4335598177 [1,0,0,0,0,0|0,0,2]=3 226 B5R0.1 CC(=O)C=NO MCULE-5513006918 [1,0,0,0,0,0|1,0,1]=3 227 B5R0.1 CC(=O)CC#N MCULE-7203242552 [1,0,0,0,0,0|1,0,1]=3 228 B5R0.1 CC(=O)CCBr MCULE-2615300206 [1,0,0,0,0,0|1,0,1]=3 229 B5R0.1 CC(=O)CCCl MCULE-8019748964 [1,0,0,0,0,0|1,0,1]=3 230 B5R0.1 CC(=O)CCN MCULE-7550348751 [1,0,0,0,0,0|1,0,1]=3 231 B5R0.1 CC(=O)CCN MCULE-9519063810 [1,0,0,0,0,0|1,0,1]=3 232 B5R0.1 CC(=O)CCO MCULE-6328537335 [1,0,0,0,0,0|0,0,1]=2 233 B5R0.1 CC(=O)N=C=S MCULE-7540453687 [1,0,0,0,0,0|1,1,1]=4 234 B5R0.1 CC(=O)N=S=O MCULE-1420371815 [1,0,0,0,0,0|2,0,0]=3 235 B5R0.1 CC(=O)NC#N MCULE-8444599659 [1,0,0,0,0,0|2,0,1]=4 236 B5R0.1 CC(=O)NCO MCULE-4563335540 [1,0,0,0,0,0|1,0,1]=3 237 B5R0.1 CC(=O)OCBr MCULE-9842804945 [1,0,0,0,0,0|2,0,1]=4 238 B5R0.1 CC(=O)OCCl MCULE-6822222026 [1,0,0,0,0,0|2,0,1]=4 239 B5R0.1 CC(=O)SCBr MCULE-9794607323 [1,0,0,0,0,0|2,0,1]=4 240 B5R0.1 CC(C)CC=O MCULE-2939497534 [1,0,0,0,0,0|1,0,1]=3 241 B5R0.1 CC(C)CCO MCULE-7411270401 [1,0,0,0,0,0|1,0,2]=4 242 B5R0.1 CC(C)NC=O MCULE-1764010394 [1,0,0,0,0,0|2,0,1]=4 243 B5R0.1 CC(C)OC=O MCULE-8263698122 [1,0,0,0,0,0|2,0,1]=4 244 B5R0.1 CC(Cl)CCO MCULE-1955496242 [1,0,0,0,0,0|1,0,2]=4 245 B5R0.1 CC(N)CCO MCULE-1771399942 [1,0,0,0,0,0|1,0,2]=4 246 B5R0.1 CC(N)CCO MCULE-7239872808 [1,0,0,0,0,0|1,0,2]=4 247 B5R0.1 CC(O)CCO MCULE-1694239851 [1,0,0,0,0,0|0,0,3]=4 248 B5R0.1 CC(O)CCO MCULE-7784884948 [1,0,0,0,0,0|0,0,3]=4 249 B5R0.1 CC(S)CCO MCULE-5702212503 [1,0,0,0,0,0|0,1,2]=4 250 B5R0.1 CC=CB(O)O MCULE-7417903348 [1,0,0,0,0,0|1,0,2]=4 251 B5R0.1 CC=CC(=O)C MCULE-4826977340 [1,0,0,0,0,0|1,0,1]=3 252 B5R0.1 CC=CC(=O)Cl MCULE-2747622237 [1,0,0,0,0,0|1,0,1]=3 253 B5R0.1 CC=CC(=O)N MCULE-9693879476 [1,0,0,0,0,0|1,0,1]=3 254 B5R0.1 CC=CC(=O)O MCULE-7970410217 [1,0,0,0,0,0|0,0,1]=2 255 B5R0.1 CC=CC(C)O MCULE-4806592836 [1,0,0,0,0,0|1,0,2]=4 256 B5R0.1 CC=C[N+](=O)[O-] MCULE-2987135481 [1,0,0,0,0,0|1,0,2]=4 257 B5R0.1 CCCB(O)O MCULE-4994980798 [1,0,0,0,0,0|1,0,2]=4 258 B5R0.1 CCCC(=N)N MCULE-5974105638 [1,0,0,0,0,0|2,0,1]=4 259 B5R0.1 CCCC(=N)N MCULE-9230704591 [1,0,0,0,0,0|2,0,1]=4 260 B5R0.1 CCCC(=O)C MCULE-7174095676 [1,0,0,0,0,0|1,0,1]=3 261 B5R0.1 CCCC(=O)Cl MCULE-3288175193 [1,0,0,0,0,0|1,0,1]=3 262 B5R0.1 CCCC(=O)N MCULE-2712067671 [1,0,0,0,0,0|1,0,1]=3 263 B5R0.1 CCCC(=O)O MCULE-4116382006 [1,0,0,0,0,0|0,0,1]=2 264 B5R0.1 CCCC(=O)[O-] MCULE-8706538802 [1,0,0,0,0,0|0,0,2]=3 265 B5R0.1 CCCC(=O)[O-] MCULE-9764702574 [1,0,0,0,0,0|0,0,2]=3 266 B5R0.1 CCCC(=S)N MCULE-3529335988 [1,0,0,0,0,0|1,1,1]=4 267 B5R0.1 CCCC(=S)O MCULE-3382199964 [1,0,0,0,0,0|0,1,1]=3 268 B5R0.1 CCCC(C)O MCULE-8205906299 [1,0,0,0,0,0|1,0,2]=4 269 B5R0.1 CCCC(O)Cl MCULE-3188577082 [1,0,0,0,0,0|1,0,2]=4 270 B5R0.1 CCCN(=O)=O MCULE-5615753372 [1,0,0,0,0,0|1,0,2]=4 271 B5R0.1 CCCS(=O)[O-] MCULE-4306915022 [1,0,0,0,0,0|1,0,2]=4 272 B5R0.1 CCCS(=O)[O-] MCULE-9775151913 [1,0,0,0,0,0|1,0,2]=4 273 B5R0.1 CCC[C@@H](C)O MCULE-1540573875 [1,0,0,0,0,0|1,0,2]=4 274 B5R0.1 CCC[C@H](C)O MCULE-6976816276 [1,0,0,0,0,0|1,0,2]=4 275 B5R0.1 CCNC(=O)C MCULE-7543656350 [1,0,0,0,0,0|2,0,1]=4 276 B5R0.1 CCNC(=O)Cl MCULE-5831262934 [1,0,0,0,0,0|2,0,1]=4 277 B5R0.1 CCNC(=O)N MCULE-1913599861 [1,0,0,0,0,0|2,0,1]=4 278 B5R0.1 CCOC(=O)C MCULE-6628539781 [1,0,0,0,0,0|2,0,1]=4 279 B5R0.1 CCOC(=O)Cl MCULE-4167904934 [1,0,0,0,0,0|2,0,1]=4 280 B5R0.1 CCOC(=O)N MCULE-1776877276 [1,0,0,0,0,0|2,0,1]=4 281 B5R0.1 CCSC(=O)C MCULE-8015440229 [1,0,0,0,0,0|2,0,1]=4 282 B5R0.1 CN(C)CC=O MCULE-1229218563 [1,0,0,0,0,0|2,0,0]=3 283 B5R0.1 CN(C)CC=O MCULE-3577561950 [1,0,0,0,0,0|2,0,0]=3 284 B5R0.1 CN(C)CC=O MCULE-4493766862 [1,0,0,0,0,0|2,0,0]=3 285 B5R0.1 CN(C)CC=O MCULE-8123455398 [1,0,0,0,0,0|2,0,0]=3 286 B5R0.1 CN(C)CCO MCULE-5715813465 [1,0,0,0,0,0|2,0,1]=4 287 B5R0.1 CN(C)CCO MCULE-7567469160 [1,0,0,0,0,0|2,0,1]=4 288 B5R0.1 CN(C)CCO MCULE-9024108074 [1,0,0,0,0,0|2,0,1]=4 289 B5R0.1 CN(C)NC=O MCULE-1557896286 [1,0,0,0,0,0|3,0,0]=4 290 B5R0.1 CNCC(=O)C MCULE-3695443024 [1,0,0,0,0,0|2,0,0]=3 291 B5R0.1 CNCC(=O)C MCULE-7402723072 [1,0,0,0,0,0|2,0,0]=3 292 B5R0.1 CNCC(=O)N MCULE-2328887394 [1,0,0,0,0,0|2,0,0]=3 293 B5R0.1 CNCC(=O)N MCULE-3031605853 [1,0,0,0,0,0|2,0,0]=3 294 B5R0.1 CNCC(=O)N MCULE-7300977677 [1,0,0,0,0,0|2,0,0]=3 295 B5R0.1 CNCC(=O)O MCULE-3448356048 [1,0,0,0,0,0|1,0,0]=2 296 B5R0.1 CNCC(=O)O MCULE-4484444573 [1,0,0,0,0,0|1,0,0]=2 297 B5R0.1 CNCC(=O)[O-] MCULE-7993701866 [1,0,0,0,0,0|1,0,1]=3 298 B5R0.1 CNCC(C)O MCULE-3671071529 [1,0,0,0,0,0|2,0,1]=4 299 B5R0.1 CNCC(C)O MCULE-4171705304 [1,0,0,0,0,0|2,0,1]=4 300 B5R0.1 CNC[C@@H](C)O MCULE-2953164520 [1,0,0,0,0,0|2,0,1]=4 301 B5R0.1 CNC[C@@H](C)O MCULE-3161721140 [1,0,0,0,0,0|2,0,1]=4 302 B5R0.1 CNC[C@@H](C)O MCULE-6218150837 [1,0,0,0,0,0|2,0,1]=4 303 B5R0.1 CNC[C@@H](C)O MCULE-8245274547 [1,0,0,0,0,0|2,0,1]=4 304 B5R0.1 CNC[C@H](C)O MCULE-2655303492 [1,0,0,0,0,0|2,0,1]=4 305 B5R0.1 CNC[C@H](C)O MCULE-7346940457 [1,0,0,0,0,0|2,0,1]=4 306 B5R0.1 CNOC(=O)C MCULE-1464426541 [1,0,0,0,0,0|3,0,0]=4 307 B5R0.1 CNOC(=O)C MCULE-2976282666 [1,0,0,0,0,0|3,0,0]=4 308 B5R0.1 COCC(=N)N MCULE-4711728356 [1,0,0,0,0,0|3,0,0]=4 309 B5R0.1 COCC(=N)N MCULE-7163250467 [1,0,0,0,0,0|3,0,0]=4 310 B5R0.1 COCC(=O)C MCULE-7262197587 [1,0,0,0,0,0|2,0,0]=3 311 B5R0.1 COCC(=O)Cl MCULE-5449267495 [1,0,0,0,0,0|2,0,0]=3 312 B5R0.1 COCC(=O)N MCULE-6674958132 [1,0,0,0,0,0|2,0,0]=3 313 B5R0.1 COCC(=O)O MCULE-3945589151 [1,0,0,0,0,0|1,0,0]=2 314 B5R0.1 COCC(=S)N MCULE-2046809269 [1,0,0,0,0,0|2,1,0]=4 315 B5R0.1 COCC(C)O MCULE-4022733014 [1,0,0,0,0,0|2,0,1]=4 316 B5R0.1 COCC(C)O MCULE-7513310960 [1,0,0,0,0,0|2,0,1]=4 317 B5R0.1 COC[C@@H](C)O MCULE-6287552520 [1,0,0,0,0,0|2,0,1]=4 318 B5R0.1 COC[C@@H](C)O MCULE-7942118801 [1,0,0,0,0,0|2,0,1]=4 319 B5R0.1 COC[C@H](C)O MCULE-5908531683 [1,0,0,0,0,0|2,0,1]=4 320 B5R0.1 COC[C@H](C)O MCULE-8619138238 [1,0,0,0,0,0|2,0,1]=4 321 B5R0.1 CONC(=O)C MCULE-6601866630 [1,0,0,0,0,0|3,0,0]=4 322 B5R0.1 CONC(=O)N MCULE-3063713861 [1,0,0,0,0,0|3,0,0]=4 323 B5R0.1 CS(=O)CC#N MCULE-1246621507 [1,0,0,0,0,0|2,0,1]=4 324 B5R0.1 CS(=O)CCBr MCULE-7846126230 [1,0,0,0,0,0|2,0,1]=4 325 B5R0.1 CS(=O)CCCl MCULE-7012781505 [1,0,0,0,0,0|2,0,1]=4 326 B5R0.1 CS(=O)CCN MCULE-6497874560 [1,0,0,0,0,0|2,0,1]=4 327 B5R0.1 CS(=O)CCN MCULE-8275663766 [1,0,0,0,0,0|2,0,1]=4 328 B5R0.1 CS(=O)CCN MCULE-8330490290 [1,0,0,0,0,0|2,0,1]=4 329 B5R0.1 CS(=O)CCO MCULE-8331553582 [1,0,0,0,0,0|1,0,1]=3 330 B5R0.1 CSCC(=N)N MCULE-7800929509 [1,0,0,0,0,0|3,0,0]=4 331 B5R0.1 CSCC(=N)N MCULE-8499985777 [1,0,0,0,0,0|3,0,0]=4 332 B5R0.1 CSCC(=O)C MCULE-4131794172 [1,0,0,0,0,0|2,0,0]=3 333 B5R0.1 CSCC(=O)Cl MCULE-9750052685 [1,0,0,0,0,0|2,0,0]=3 334 B5R0.1 CSCC(=O)N MCULE-4865579476 [1,0,0,0,0,0|2,0,0]=3 335 B5R0.1 CSCC(=O)O MCULE-7003418159 [1,0,0,0,0,0|1,0,0]=2 336 B5R0.1 CSCC(=S)N MCULE-5029100305 [1,0,0,0,0,0|2,1,0]=4 337 B5R0.1 CSCC(C)O MCULE-2227652351 [1,0,0,0,0,0|2,0,1]=4 338 B5R0.1 CSCS(=O)C MCULE-3167702486 [1,0,0,0,0,0|3,0,0]=4 339 B5R0.1 CSNC(=O)C MCULE-7350061514 [1,0,0,0,0,0|3,0,0]=4 340 B5R0.1 C[C@@H](N)CCO MCULE-4224878672 [1,0,0,0,0,0|1,0,2]=4 341 B5R0.1 C[C@@H](N)CCO MCULE-5727539473 [1,0,0,0,0,0|1,0,2]=4 342 B5R0.1 C[C@@H](O)CCO MCULE-6277947442 [1,0,0,0,0,0|0,0,3]=4 343 B5R0.1 C[C@@H](O)CCO MCULE-9742368348 [1,0,0,0,0,0|0,0,3]=4 344 B5R0.1 C[C@H](N)CCO MCULE-1496375567 [1,0,0,0,0,0|1,0,2]=4 345 B5R0.1 C[C@H](N)CCO MCULE-4744824708 [1,0,0,0,0,0|1,0,2]=4 346 B5R0.1 C[C@H](N)CCO MCULE-7219173683 [1,0,0,0,0,0|1,0,2]=4 347 B5R0.1 C[C@H](N)CCO MCULE-9164942837 [1,0,0,0,0,0|1,0,2]=4 348 B5R0.1 C[C@H](O)CCO MCULE-2504912618 [1,0,0,0,0,0|0,0,3]=4 349 B5R0.1 C[C@H](O)CCO MCULE-2958119786 [1,0,0,0,0,0|0,0,3]=4 350 B5R0.1 C[S@@](=O)CCO MCULE-4485824334 [1,0,0,0,0,0|1,0,1]=3 351 B5R0.1 N#CCC(=O)Cl MCULE-7971055738 [1,0,0,0,0,0|2,0,1]=4 352 B5R0.1 N#CCC(=O)N MCULE-8538286230 [1,0,0,0,0,0|2,0,1]=4 353 B5R0.1 N#CCC(=O)O MCULE-3440765061 [1,0,0,0,0,0|1,0,1]=3 354 B5R0.1 N#CCC(=O)[O-] MCULE-2598625909 [1,0,0,0,0,0|1,0,2]=4 355 B5R0.1 N#CCC(=O)[O-] MCULE-3532110520 [1,0,0,0,0,0|1,0,2]=4 356 B5R0.1 N=C(N)CCO MCULE-4567824707 [1,0,0,0,0,0|2,0,1]=4 357 B5R0.1 N=C(N)CCO MCULE-7139693715 [1,0,0,0,0,0|2,0,1]=4 358 B5R0.1 N=C(N)NC=O MCULE-2702198735 [1,0,0,0,0,0|3,0,0]=4 359 B5R0.1 NC(=O)C=CCl MCULE-3595468874 [1,0,0,0,0,0|2,0,1]=4 360 B5R0.1 NC(=O)C=NO MCULE-6447662753 [1,0,0,0,0,0|2,0,1]=4 361 B5R0.1 NC(=O)CCBr MCULE-3930714776 [1,0,0,0,0,0|2,0,1]=4 362 B5R0.1 NC(=O)CCCl MCULE-8300320959 [1,0,0,0,0,0|2,0,1]=4 363 B5R0.1 NC(=O)CCO MCULE-4026170350 [1,0,0,0,0,0|1,0,1]=3 364 B5R0.1 NC(=O)CCS MCULE-7451827717 [1,0,0,0,0,0|1,1,1]=4 365 B5R0.1 NC(=O)NCO MCULE-7403641101 [1,0,0,0,0,0|2,0,1]=4 366 B5R0.1 NC(=O)NN=O MCULE-2820469915 [1,0,0,0,0,0|3,0,0]=4 367 B5R0.1 NCCC(=O)Cl MCULE-1298355499 [1,0,0,0,0,0|2,0,1]=4 368 B5R0.1 NCCC(=O)N MCULE-2899414135 [1,0,0,0,0,0|2,0,1]=4 369 B5R0.1 NCCC(=O)N MCULE-6993286668 [1,0,0,0,0,0|2,0,1]=4 370 B5R0.1 NCCC(=O)O MCULE-1344289084 [1,0,0,0,0,0|1,0,1]=3 371 B5R0.1 NCCC(=O)O MCULE-2298605337 [1,0,0,0,0,0|1,0,1]=3 372 B5R0.1 NCCC(=O)O MCULE-9375577631 [1,0,0,0,0,0|1,0,1]=3 373 B5R0.1 NCCC(=O)[O-] MCULE-2492250086 [1,0,0,0,0,0|1,0,2]=4 374 B5R0.1 NCCP(=O)O MCULE-7093964616 [1,0,0,0,0,0|2,0,1]=4 375 B5R0.1 NCCS(=O)O MCULE-4372248641 [1,0,0,0,0,0|2,0,1]=4 376 B5R0.1 NNCC(=O)N MCULE-2794619708 [1,0,0,0,0,0|3,0,0]=4 377 B5R0.1 NNCC(=O)N MCULE-6773156087 [1,0,0,0,0,0|3,0,0]=4 378 B5R0.1 NNCC(=O)O MCULE-4908184724 [1,0,0,0,0,0|2,0,0]=3 379 B5R0.1 NNCC(=O)O MCULE-6315598774 [1,0,0,0,0,0|2,0,0]=3 380 B5R0.1 NOCC(=O)O MCULE-4566186819 [1,0,0,0,0,0|2,0,0]=3 381 B5R0.1 NOCC(=O)O MCULE-4824237418 [1,0,0,0,0,0|2,0,0]=3 382 B5R0.1 NOCC(=O)O MCULE-8132180423 [1,0,0,0,0,0|2,0,0]=3 383 B5R0.1 O=C(Cl)C=CCl MCULE-7984379237 [1,0,0,0,0,0|2,0,1]=4 384 B5R0.1 O=C(Cl)CCBr MCULE-4659506608 [1,0,0,0,0,0|2,0,1]=4 385 B5R0.1 O=C(Cl)CCCl MCULE-3313924878 [1,0,0,0,0,0|2,0,1]=4 386 B5R0.1 O=C(Cl)CCF MCULE-3316397790 [1,0,0,0,0,0|2,0,1]=4 387 B5R0.1 O=C(O)/C=C/Br MCULE-7284519266 [1,0,0,0,0,0|1,0,1]=3 388 B5R0.1 O=C(O)/C=C/Cl MCULE-1625781671 [1,0,0,0,0,0|1,0,1]=3 389 B5R0.1 O=C(O)/C=C/I MCULE-3339607379 [1,0,0,0,0,0|1,0,1]=3 390 B5R0.1 O=C(O)/C=C\Br MCULE-6149049313 [1,0,0,0,0,0|1,0,1]=3 391 B5R0.1 O=C(O)/C=C\Cl MCULE-1221996674 [1,0,0,0,0,0|1,0,1]=3 392 B5R0.1 O=C(O)/C=C\I MCULE-3065405012 [1,0,0,0,0,0|1,0,1]=3 393 B5R0.1 O=C(O)/C=N/O MCULE-2471349844 [1,0,0,0,0,0|1,0,2]=4 394 B5R0.1 O=C(O)C#CBr MCULE-1997285471 [1,0,0,0,0,0|1,0,2]=4 395 B5R0.1 O=C(O)C=CBr MCULE-2956464856 [1,0,0,0,0,0|1,0,1]=3 396 B5R0.1 O=C(O)C=CCl MCULE-6369812151 [1,0,0,0,0,0|1,0,1]=3 397 B5R0.1 O=C(O)C=CI MCULE-7162332129 [1,0,0,0,0,0|1,0,1]=3 398 B5R0.1 O=C(O)C=NO MCULE-2039309679 [1,0,0,0,0,0|1,0,2]=4 399 B5R0.1 O=C(O)CCBr MCULE-2816055853 [1,0,0,0,0,0|1,0,1]=3 400 B5R0.1 O=C(O)CCCl MCULE-8511144183 [1,0,0,0,0,0|1,0,1]=3 401 B5R0.1 O=C(O)CCF MCULE-4382025684 [1,0,0,0,0,0|1,0,1]=3 402 B5R0.1 O=C(O)CCI MCULE-3371354708 [1,0,0,0,0,0|1,0,1]=3 403 B5R0.1 O=C(O)CCO MCULE-3428604829 [1,0,0,0,0,0|0,0,2]=3 404 B5R0.1 O=C(O)CCS MCULE-3211932163 [1,0,0,0,0,0|0,1,1]=3 405 B5R0.1 O=C(O)CNO MCULE-4437067339 [1,0,0,0,0,0|1,0,1]=3 406 B5R0.1 O=C([O-])C#CO MCULE-3725047218 [1,0,0,0,0,0|1,0,2]=4 407 B5R0.1 O=C([O-])C#CO MCULE-9125153565 [1,0,0,0,0,0|1,0,2]=4 408 B5R0.1 O=C([O-])C=CCl MCULE-4750072789 [1,0,0,0,0,0|1,0,2]=4 409 B5R0.1 O=C([O-])CCO MCULE-4429611588 [1,0,0,0,0,0|1,0,1]=3 410 B5R0.1 O=N(=O)CCO MCULE-2060841405 [1,0,0,0,0,0|2,0,1]=4 411 B5R0.1 [C@@H](C)(O)CCC MCULE-9717120293 [1,0,0,0,0,0|1,0,2]=4 412 B5R0.1 [C@@H](C)(O)CNC MCULE-2044067921 [1,0,0,0,0,0|2,0,1]=4 413 B5R0.1 [C@H](C)(O)CCC MCULE-2689023898 [1,0,0,0,0,0|1,0,2]=4 414 B7R0.2 C#CC(C)CC(=O)O MCULE-8780802803 [0,1,0,0,0,0|1,0,1]=3 415 B7R0.2 C(O)(CN)CC(=O)O MCULE-8378388788 [0,1,0,0,0,0|0,0,2]=3 416 B7R0.2 C/C(=N\O)/CC(C)C MCULE-1223937315 [0,1,0,0,0,0|2,0,1]=4 417 B7R0.2 C=C(C#N)OC(=O)C MCULE-8738842712 [0,1,0,0,0,0|3,0,0]=4 418 B7R0.2 C=C(C)CC(N)CO MCULE-9114906744 [0,1,0,0,0,0|2,0,1]=4 419 B7R0.2 C=CC(=O)C=C(C)C MCULE-3761351531 [0,1,0,0,0,0|2,0,1]=4 420 B7R0.2 C=CC(=O)CC(C)C MCULE-2912404970 [0,1,0,0,0,0|2,0,1]=4 421 B7R0.2 C=CC(=O)NC(=O)N MCULE-8826369233 [0,1,0,0,0,0|2,0,1]=4 422 B7R0.2 C=CC(C)CC(=O)O MCULE-4817084034 [0,1,0,0,0,0|1,0,1]=3 423 B7R0.2 C=CC(N)CC(=O)O MCULE-1733618438 [0,1,0,0,0,0|1,0,2]=4 424 B7R0.2 C=CC(N)CC(=O)O MCULE-9636299966 [0,1,0,0,0,0|1,0,2]=4 425 B7R0.2 C=CC(O)CC(=O)O MCULE-2383393271 [0,1,0,0,0,0|0,0,3]=4 426 B7R0.2 CC(=CC(=O)O)C=O MCULE-7652207149 [0,1,0,0,0,0|0,0,1]=2 427 B7R0.2 CC(=NO)CC(C)C MCULE-1446840557 [0,1,0,0,0,0|2,0,1]=4 428 B7R0.2 CC(=O)NC(=O)CBr MCULE-3222708274 [0,1,0,0,0,0|2,0,0]=3 429 B7R0.2 CC(=O)NC(C)CO MCULE-9455210462 [0,1,0,0,0,0|2,0,1]=4 430 B7R0.2 CC(=O)N[C@H](C)CO MCULE-2174899443 [0,1,0,0,0,0|2,0,1]=4 431 B7R0.2 CC(=O)N[C@H](C)CO MCULE-5097293473 [0,1,0,0,0,0|2,0,1]=4 432 B7R0.2 CC(C)C/C(=N/O)/N MCULE-1815154611 [0,1,0,0,0,0|2,0,1]=4 433 B7R0.2 CC(C)CC(=O)C#N MCULE-7628756423 [0,1,0,0,0,0|2,0,1]=4 434 B7R0.2 CC(C)CC(=O)CBr MCULE-3556695745 [0,1,0,0,0,0|2,0,1]=4 435 B7R0.2 CC(C)CC(=O)CCl MCULE-6858533367 [0,1,0,0,0,0|2,0,1]=4 436 B7R0.2 CC(C)CC(=O)CN MCULE-2435223768 [0,1,0,0,0,0|2,0,1]=4 437 B7R0.2 CC(C)CC(=O)CN MCULE-7131454463 [0,1,0,0,0,0|2,0,1]=4 438 B7R0.2 CC(C)CC(=O)NN MCULE-7719387931 [0,1,0,0,0,0|2,0,1]=4 439 B7R0.2 CC(C)NC(=O)CO MCULE-5386700783 [0,1,0,0,0,0|2,0,1]=4 440 B7R0.2 CC(C)OC(=O)CO MCULE-4694316703 [0,1,0,0,0,0|2,0,1]=4 441 B7R0.2 CC(CC(=O)O)NN MCULE-2614719429 [0,1,0,0,0,0|1,0,1]=3 442 B7R0.2 CC(CC(=O)O)NN MCULE-2739806820 [0,1,0,0,0,0|1,0,1]=3 443 B7R0.2 CC(CCl)CC(=O)Cl MCULE-3163826919 [0,1,0,0,0,0|2,0,1]=4 444 B7R0.2 CC(CN)CC(=O)O MCULE-1594242184 [0,1,0,0,0,0|1,0,1]=3 445 B7R0.2 CC(CN)CC(=O)O MCULE-8074816359 [0,1,0,0,0,0|1,0,1]=3 446 B7R0.2 CC(O)CC(=O)NN MCULE-2521784411 [0,1,0,0,0,0|1,0,2]=4 447 B7R0.2 CCC(=CC(=O)O)C MCULE-3864767099 [0,1,0,0,0,0|1,0,1]=3 448 B7R0.2 CCC(=O)CC(=O)C MCULE-1892470405 [0,1,0,0,0,0|1,0,0]=2 449 B7R0.2 CCC(=O)CC(=O)O MCULE-1083768149 [0,1,0,0,0,0|0,0,0]=1 450 B7R0.2 CCC(=O)CC(C)C MCULE-8378320990 [0,1,0,0,0,0|2,0,1]=4 451 B7R0.2 CCC(=O)NC(=S)N MCULE-7487842736 [0,1,0,0,0,0|2,1,0]=4 452 B7R0.2 CCC(=O)OC(=O)C MCULE-8264492254 [0,1,0,0,0,0|2,0,0]=3 453 B7R0.2 CCC(C)CC(=O)C MCULE-5801548800 [0,1,0,0,0,0|2,0,1]=4 454 B7R0.2 CCC(C)CC(=O)Cl MCULE-3063561496 [0,1,0,0,0,0|2,0,1]=4 455 B7R0.2 CCC(C)CC(=O)O MCULE-3409782202 [0,1,0,0,0,0|1,0,1]=3 456 B7R0.2 CCC(C)CC(=O)O MCULE-6537278030 [0,1,0,0,0,0|1,0,1]=3 457 B7R0.2 CCC(N)CC(=O)O MCULE-1744910444 [0,1,0,0,0,0|1,0,1]=3 458 B7R0.2 CCC(N)CC(=O)O MCULE-5610499925 [0,1,0,0,0,0|1,0,1]=3 459 B7R0.2 CCC(O)CC(=O)C MCULE-1222748729 [0,1,0,0,0,0|1,0,1]=3 460 B7R0.2 CCC(O)CC(=O)O MCULE-4663578527 [0,1,0,0,0,0|0,0,2]=3 461 B7R0.2 CCN(C)CC(=O)C MCULE-5302720081 [0,1,0,0,0,0|3,0,0]=4 462 B7R0.2 CCN(C)CC(=O)C MCULE-7283054437 [0,1,0,0,0,0|3,0,0]=4 463 B7R0.2 CCN(C)CC(=O)O MCULE-3102395413 [0,1,0,0,0,0|2,0,0]=3 464 B7R0.2 CCS(=O)CC(=O)O MCULE-5648298475 [0,1,0,0,0,0|1,0,0]=2 465 B7R0.2 CC[C@@H](C)CC(=O)O MCULE-5550070887 [0,1,0,0,0,0|1,0,1]=3 466 B7R0.2 CC[C@@H](C)CC(=O)O MCULE-9572363620 [0,1,0,0,0,0|1,0,1]=3 467 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-1158271004 [0,1,0,0,0,0|1,0,1]=3 468 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-2354820947 [0,1,0,0,0,0|1,0,1]=3 469 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-4284161835 [0,1,0,0,0,0|1,0,1]=3 470 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-9523089766 [0,1,0,0,0,0|1,0,1]=3 471 B7R0.2 CC[C@H](C)CC(=O)O MCULE-4177365854 [0,1,0,0,0,0|1,0,1]=3 472 B7R0.2 CC[C@H](C)CC(=O)O MCULE-5173108207 [0,1,0,0,0,0|1,0,1]=3 473 B7R0.2 CC[C@H](N)CC(=O)O MCULE-1463536674 [0,1,0,0,0,0|1,0,1]=3 474 B7R0.2 CC[C@H](N)CC(=O)O MCULE-2865599647 [0,1,0,0,0,0|1,0,1]=3 475 B7R0.2 CC[C@H](N)CC(=O)O MCULE-4506847599 [0,1,0,0,0,0|1,0,1]=3 476 B7R0.2 CC[C@H](N)CC(=O)O MCULE-4819674539 [0,1,0,0,0,0|1,0,1]=3 477 B7R0.2 CN(C)C/C(=N/O)/N MCULE-5454112728 [0,1,0,0,0,0|3,0,0]=4 478 B7R0.2 CN(C)CC(=O)NN MCULE-4271340398 [0,1,0,0,0,0|3,0,0]=4 479 B7R0.2 CN(C)CC(=O)NN MCULE-8010840162 [0,1,0,0,0,0|3,0,0]=4 480 B7R0.2 CN(C)CC(=O)NN MCULE-9920503081 [0,1,0,0,0,0|3,0,0]=4 481 B7R0.2 CN(C=O)CC(=O)O MCULE-2679649056 [0,1,0,0,0,0|1,0,0]=2 482 B7R0.2 CN(CC(=O)O)N=O MCULE-5473244336 [0,1,0,0,0,0|1,0,0]=2 483 B7R0.2 CNC(=CC(=O)C)C MCULE-1943688292 [0,1,0,0,0,0|2,0,1]=4 484 B7R0.2 CNC(=O)CC(=N)N MCULE-4798896062 [0,1,0,0,0,0|2,0,0]=3 485 B7R0.2 CNC(=O)CC(=N)N MCULE-6994336455 [0,1,0,0,0,0|2,0,0]=3 486 B7R0.2 CNC(=O)CC(=O)C MCULE-4316009681 [0,1,0,0,0,0|1,0,0]=2 487 B7R0.2 CNC(=O)CC(=O)O MCULE-3506871336 [0,1,0,0,0,0|0,0,0]=1 488 B7R0.2 CNC(=O)CC(=S)N MCULE-1637389152 [0,1,0,0,0,0|1,1,0]=3 489 B7R0.2 CNC(=O)CC(C)C MCULE-2303112628 [0,1,0,0,0,0|2,0,1]=4 490 B7R0.2 CNC(=O)CC(C)N MCULE-7773306348 [0,1,0,0,0,0|2,0,1]=4 491 B7R0.2 CNC(=O)CC(C)N MCULE-8658175271 [0,1,0,0,0,0|2,0,1]=4 492 B7R0.2 CNC(=O)CN(=O)=O MCULE-2253664059 [0,1,0,0,0,0|1,0,1]=3 493 B7R0.2 CNC(=O)NC(=O)C MCULE-9100713966 [0,1,0,0,0,0|2,0,0]=3 494 B7R0.2 CNC(=O)NC(=O)N MCULE-8107942434 [0,1,0,0,0,0|2,0,0]=3 495 B7R0.2 CNC(C)CC(=O)N MCULE-1474658720 [0,1,0,0,0,0|2,0,1]=4 496 B7R0.2 CNC(C)CC(=O)N MCULE-4481385519 [0,1,0,0,0,0|2,0,1]=4 497 B7R0.2 CNC(C)CC(=O)O MCULE-6592893730 [0,1,0,0,0,0|1,0,1]=3 498 B7R0.2 CNC(C)CC(=O)O MCULE-7655437452 [0,1,0,0,0,0|1,0,1]=3 499 B7R0.2 CO/C(=C/C(=O)O)/C MCULE-5031076713 [0,1,0,0,0,0|0,0,2]=3 500 B7R0.2 COC(=CC(=O)C)C MCULE-1939113485 [0,1,0,0,0,0|1,0,1]=3 501 B7R0.2 COC(=CC(=O)O)C MCULE-2215306459 [0,1,0,0,0,0|0,0,2]=3 502 B7R0.2 COC(=N)CC(C)C MCULE-4603041381 [0,1,0,0,0,0|2,0,1]=4 503 B7R0.2 COC(=N)CC(C)C MCULE-5838686710 [0,1,0,0,0,0|2,0,1]=4 504 B7R0.2 COC(=O)/C=C(/C)\N MCULE-2378404457 [0,1,0,0,0,0|1,0,1]=3 505 B7R0.2 COC(=O)/C=C(\C)/N MCULE-7223502425 [0,1,0,0,0,0|1,0,1]=3 506 B7R0.2 COC(=O)C=C(C)C MCULE-9357284649 [0,1,0,0,0,0|1,0,1]=3 507 B7R0.2 COC(=O)C=C(C)N MCULE-8452012306 [0,1,0,0,0,0|1,0,1]=3 508 B7R0.2 COC(=O)C=C(C)[O-] MCULE-2706789496 [0,1,0,0,0,0|0,0,2]=3 509 B7R0.2 COC(=O)C=C(C)[O-] MCULE-4482386969 [0,1,0,0,0,0|0,0,2]=3 510 B7R0.2 COC(=O)CC(=N)N MCULE-3622266378 [0,1,0,0,0,0|2,0,0]=3 511 B7R0.2 COC(=O)CC(=N)N MCULE-8717458518 [0,1,0,0,0,0|2,0,0]=3 512 B7R0.2 COC(=O)CC(=O)C MCULE-1265364784 [0,1,0,0,0,0|0,0,0]=1 513 B7R0.2 COC(=O)CC(=O)Cl MCULE-5016603273 [0,1,0,0,0,0|1,0,0]=2 514 B7R0.2 COC(=O)CC(=O)N MCULE-7129379910 [0,1,0,0,0,0|1,0,0]=2 515 B7R0.2 COC(=O)CC(=O)O MCULE-7983457925 [0,1,0,0,0,0|0,0,0]=1 516 B7R0.2 COC(=O)CC(=O)[O-] MCULE-4316322156 [0,1,0,0,0,0|0,0,1]=2 517 B7R0.2 COC(=O)CC(=S)N MCULE-3325362226 [0,1,0,0,0,0|1,1,0]=3 518 B7R0.2 COC(=O)CC(C)Br MCULE-4193147778 [0,1,0,0,0,0|1,0,1]=3 519 B7R0.2 COC(=O)CC(C)C MCULE-2808202854 [0,1,0,0,0,0|1,0,1]=3 520 B7R0.2 COC(=O)CC(C)Cl MCULE-2734734940 [0,1,0,0,0,0|1,0,1]=3 521 B7R0.2 COC(=O)CC(C)N MCULE-2402304310 [0,1,0,0,0,0|1,0,1]=3 522 B7R0.2 COC(=O)CC(C)N MCULE-3520358398 [0,1,0,0,0,0|1,0,1]=3 523 B7R0.2 COC(=O)CC(C)N MCULE-4044567169 [0,1,0,0,0,0|1,0,1]=3 524 B7R0.2 COC(=O)CC(C)N MCULE-5962991844 [0,1,0,0,0,0|1,0,1]=3 525 B7R0.2 COC(=O)CC(C)O MCULE-7542131760 [0,1,0,0,0,0|0,0,2]=3 526 B7R0.2 COC(=O)CC(C)O MCULE-7559608260 [0,1,0,0,0,0|0,0,2]=3 527 B7R0.2 COC(=O)CC(C)S MCULE-8423856471 [0,1,0,0,0,0|0,1,1]=3 528 B7R0.2 COC(=O)CN(=O)=O MCULE-9778666398 [0,1,0,0,0,0|1,0,1]=3 529 B7R0.2 COC(=O)CN(C)C MCULE-2035644817 [0,1,0,0,0,0|2,0,0]=3 530 B7R0.2 COC(=O)CN(C)C MCULE-2356820620 [0,1,0,0,0,0|2,0,0]=3 531 B7R0.2 COC(=O)CS(=O)C MCULE-6286293391 [0,1,0,0,0,0|1,0,0]=2 532 B7R0.2 COC(=O)C[C@@H](C)N MCULE-1483636974 [0,1,0,0,0,0|1,0,1]=3 533 B7R0.2 COC(=O)C[C@@H](C)N MCULE-4260923997 [0,1,0,0,0,0|1,0,1]=3 534 B7R0.2 COC(=O)C[C@@H](C)N MCULE-6569883717 [0,1,0,0,0,0|1,0,1]=3 535 B7R0.2 COC(=O)C[C@@H](C)N MCULE-9853158708 [0,1,0,0,0,0|1,0,1]=3 536 B7R0.2 COC(=O)C[C@@H](C)O MCULE-1647366037 [0,1,0,0,0,0|0,0,2]=3 537 B7R0.2 COC(=O)C[C@@H](C)O MCULE-7832771936 [0,1,0,0,0,0|0,0,2]=3 538 B7R0.2 COC(=O)C[C@H](C)N MCULE-1385999778 [0,1,0,0,0,0|1,0,1]=3 539 B7R0.2 COC(=O)C[C@H](C)N MCULE-1446150641 [0,1,0,0,0,0|1,0,1]=3 540 B7R0.2 COC(=O)C[C@H](C)N MCULE-2979603570 [0,1,0,0,0,0|1,0,1]=3 541 B7R0.2 COC(=O)C[C@H](C)N MCULE-7679126750 [0,1,0,0,0,0|1,0,1]=3 542 B7R0.2 COC(=O)C[C@H](C)O MCULE-5154734951 [0,1,0,0,0,0|0,0,2]=3 543 B7R0.2 COC(=O)C[C@H](C)O MCULE-7031738180 [0,1,0,0,0,0|0,0,2]=3 544 B7R0.2 COC(=O)NC(C)C MCULE-4552685948 [0,1,0,0,0,0|2,0,1]=4 545 B7R0.2 COC(=O)OC(C)C MCULE-4462394604 [0,1,0,0,0,0|2,0,1]=4 546 B7R0.2 COC(=O)SC(C)C MCULE-9908884347 [0,1,0,0,0,0|2,0,1]=4 547 B7R0.2 COC(C)CC(=O)O MCULE-7063015720 [0,1,0,0,0,0|0,0,2]=3 548 B7R0.2 CSC(=O)CC(C)C MCULE-5433173038 [0,1,0,0,0,0|1,1,1]=4 549 B7R0.2 CSC(C)CC(=O)O MCULE-7827833531 [0,1,0,0,0,0|0,1,1]=3 550 B7R0.2 C[C@H](CN)CC(=O)O MCULE-4808630217 [0,1,0,0,0,0|1,0,1]=3 551 B7R0.2 C[C@H](CN)CC(=O)O MCULE-5474405940 [0,1,0,0,0,0|1,0,1]=3 552 B7R0.2 N/C(=N/O)/CC(=O)O MCULE-5236282846 [0,1,0,0,0,0|1,0,1]=3 553 B7R0.2 N=C(N)NC(=O)CO MCULE-1435627041 [0,1,0,0,0,0|3,0,0]=4 554 B7R0.2 NC(=O)C/C(=N\O)/N MCULE-7090967368 [0,1,0,0,0,0|2,0,0]=3 555 B7R0.2 NC(=O)NC(=O)CBr MCULE-4561848957 [0,1,0,0,0,0|2,0,0]=3 556 B7R0.2 NC(=O)NC(=O)CCl MCULE-6047100495 [0,1,0,0,0,0|2,0,0]=3 557 B7R0.2 NC(CO)CC(=O)O MCULE-4749383822 [0,1,0,0,0,0|1,0,1]=3 558 B7R0.2 NC(CO)CC(=O)O MCULE-7973334774 [0,1,0,0,0,0|1,0,1]=3 559 B7R0.2 NC(CO)CC(=O)O MCULE-8406665261 [0,1,0,0,0,0|1,0,1]=3 560 B7R0.2 NCC(N)CC(=O)O MCULE-5523883615 [0,1,0,0,0,0|1,0,1]=3 561 B7R0.2 NCC(N)CC(=O)O MCULE-7594259237 [0,1,0,0,0,0|1,0,1]=3 562 B7R0.2 NCC(O)CC(=O)O MCULE-9221352157 [0,1,0,0,0,0|0,0,2]=3 563 B7R0.2 NC[C@@H](F)CP(=O)O MCULE-6916648546 [0,1,0,0,0,0|2,0,1]=4 564 B7R0.2 NC[C@@H](F)CP(=O)O MCULE-8505911927 [0,1,0,0,0,0|2,0,1]=4 565 B7R0.2 NC[C@@H](N)CC(=O)O MCULE-6348974465 [0,1,0,0,0,0|1,0,1]=3 566 B7R0.2 NC[C@@H](N)CC(=O)O MCULE-9397628218 [0,1,0,0,0,0|1,0,1]=3 567 B7R0.2 NC[C@@H](O)CC(=O)O MCULE-2174350055 [0,1,0,0,0,0|0,0,2]=3 568 B7R0.2 NC[C@@H](O)CC(=O)O MCULE-8177708130 [0,1,0,0,0,0|0,0,2]=3 569 B7R0.2 NC[C@H](N)CC(=O)O MCULE-6133569516 [0,1,0,0,0,0|1,0,1]=3 570 B7R0.2 NC[C@H](N)CC(=O)O MCULE-7098533469 [0,1,0,0,0,0|1,0,1]=3 571 B7R0.2 NC[C@H](O)CC(=O)O MCULE-6634973995 [0,1,0,0,0,0|0,0,2]=3 572 B7R0.2 NC[C@H](O)CC(=O)O MCULE-8055679819 [0,1,0,0,0,0|0,0,2]=3 573 B7R0.2 NNC(=O)CN(=O)=O MCULE-9562845907 [0,1,0,0,0,0|2,0,1]=4 574 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-1773927420 [0,1,0,0,0,0|1,0,1]=3 575 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-2797951743 [0,1,0,0,0,0|1,0,1]=3 576 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-3839766977 [0,1,0,0,0,0|1,0,1]=3 577 B7R0.2 N[C@H](CO)CC(=O)O MCULE-4130106630 [0,1,0,0,0,0|1,0,1]=3 578 B7R0.2 O=C(Br)CC(=O)CBr MCULE-5776576043 [0,1,0,0,0,0|1,0,0]=2 579 B7R0.2 O=C(C=C(Cl)Cl)CCl MCULE-5580104687 [0,1,0,0,0,0|2,0,1]=4 580 B7R0.2 O=C(Cl)CC(=O)CCl MCULE-6416318811 [0,1,0,0,0,0|1,0,0]=2 581 B7R0.2 O=C(O)CC(=O)CCl MCULE-9671015150 [0,1,0,0,0,0|0,0,0]=1 582 B7R0.2 O=C(O)CC(=O)CO MCULE-2224143705 [0,1,0,0,0,0|0,0,0]=1 583 B7R0.2 O=C(O)CC(O)CO MCULE-2851149196 [0,1,0,0,0,0|0,0,2]=3 584 B7R0.2 O=C(O)C[C@H](O)CO MCULE-5671818548 [0,1,0,0,0,0|0,0,2]=3 585 B7R0.2 O=C([O-])CC(O)CO MCULE-5202762172 [0,1,0,0,0,0|0,0,3]=4 586 B7R0.2 O=C([O-])CC(O)CO MCULE-6219855770 [0,1,0,0,0,0|0,0,3]=4 587 B7R0.2 O=CN(O)CC(=O)O MCULE-7408790227 [0,1,0,0,0,0|2,0,0]=3 588 B7R0.2 [C@@H](F)(CN)CP(=O)O MCULE-9369150023 [0,1,0,0,0,0|2,0,1]=4 589 B7R0.2 [NH3+][C@H](CO)CC(=O)[O-] MCULE-5131942851 [0,1,0,0,0,0|1,0,2]=4 590 B7R0.9 C=C(C)CS(=O)(=O)Cl MCULE-2794551844 [0,1,0,0,0,0|2,0,1]=4 591 B7R0.9 C=C(C)CS(=O)(=O)O MCULE-9682032193 [0,1,0,0,0,0|2,0,0]=3 592 B7R0.9 C=C(C)CS(=O)(=O)[O-] MCULE-2476105827 [0,1,0,0,0,0|2,0,1]=4 593 B7R0.9 CC(=O)CC(C)(C)C MCULE-5477546626 [0,1,0,0,0,0|2,0,1]=4 594 B7R0.9 CC(=O)CC(C)(C)Cl MCULE-5981575591 [0,1,0,0,0,0|2,0,1]=4 595 B7R0.9 CC(=O)CC(C)(C)N MCULE-1511988439 [0,1,0,0,0,0|2,0,1]=4 596 B7R0.9 CC(=O)CC(C)(C)N MCULE-7807079460 [0,1,0,0,0,0|2,0,1]=4 597 B7R0.9 CC(=O)CC(C)(C)N MCULE-8677016157 [0,1,0,0,0,0|2,0,1]=4 598 B7R0.9 CC(=O)CC(C)(C)O MCULE-2623560163 [0,1,0,0,0,0|1,0,1]=3 599 B7R0.9 CC(=O)CC(C)(C)S MCULE-8901285593 [0,1,0,0,0,0|1,1,1]=4 600 B7R0.9 CC(=O)CC(F)(F)F MCULE-6552958941 [0,1,0,0,0,0|2,0,1]=4 601 B7R0.9 CC(=O)CS(=O)(=O)C MCULE-5686426572 [0,1,0,0,0,0|1,0,1]=3 602 B7R0.9 CC(=O)CS(=O)(=O)F MCULE-1649143366 [0,1,0,0,0,0|1,0,1]=3 603 B7R0.9 CC(=O)CS(=O)(=O)N MCULE-1632563820 [0,1,0,0,0,0|1,0,1]=3 604 B7R0.9 CC(=O)NS(=O)(=O)Cl MCULE-3658721510 [0,1,0,0,0,0|2,0,1]=4 605 B7R0.9 CC(=O)OP(=O)(O)O MCULE-3093243474 [0,1,0,0,0,0|2,0,0]=3 606 B7R0.9 CC(=O)OP(=O)([O-])[O-] MCULE-4269776738 [0,1,0,0,0,0|2,0,1]=4 607 B7R0.9 CC(=O)OS(=O)(=O)C MCULE-1489852585 [0,1,0,0,0,0|2,0,1]=4 608 B7R0.9 CC(C)(Br)CC(=O)O MCULE-2452885576 [0,1,0,0,0,0|1,0,1]=3 609 B7R0.9 CC(C)(C)CC(=O)Cl MCULE-6018997465 [0,1,0,0,0,0|2,0,1]=4 610 B7R0.9 CC(C)(C)CC(=O)N MCULE-5884141657 [0,1,0,0,0,0|2,0,1]=4 611 B7R0.9 CC(C)(C)CC(=O)O MCULE-8746589287 [0,1,0,0,0,0|1,0,1]=3 612 B7R0.9 CC(C)(N)CC(=O)N MCULE-8203649114 [0,1,0,0,0,0|2,0,1]=4 613 B7R0.9 CC(C)(N)CC(=O)N MCULE-9031143786 [0,1,0,0,0,0|2,0,1]=4 614 B7R0.9 CC(C)(N)CC(=O)O MCULE-1798345695 [0,1,0,0,0,0|1,0,1]=3 615 B7R0.9 CC(C)(N)CC(=O)O MCULE-4385513857 [0,1,0,0,0,0|1,0,1]=3 616 B7R0.9 CC(C)(N)CC(=O)O MCULE-7160776320 [0,1,0,0,0,0|1,0,1]=3 617 B7R0.9 CC(C)(O)CC(=O)O MCULE-3649642958 [0,1,0,0,0,0|0,0,2]=3 618 B7R0.9 CC(C)(S)CC(=O)O MCULE-6501202267 [0,1,0,0,0,0|0,1,1]=3 619 B7R0.9 CC(C)CP(=O)(O)O MCULE-5164389604 [0,1,0,0,0,0|2,0,1]=4 620 B7R0.9 CC(F)(F)CC(=O)O MCULE-2075069695 [0,1,0,0,0,0|1,0,1]=3 621 B7R0.9 CC(N)CS(=O)(=O)O MCULE-7402057915 [0,1,0,0,0,0|2,0,1]=4 622 B7R0.9 CC(O)CS(=O)(=O)C MCULE-9821477194 [0,1,0,0,0,0|2,0,1]=4 623 B7R0.9 CS(=O)(=NC(=O)Cl)C MCULE-9501106275 [0,1,0,0,0,0|3,0,0]=4 624 B7R0.9 CS(=O)(=O)CC(=N)N MCULE-4168161900 [0,1,0,0,0,0|3,0,0]=4 625 B7R0.9 CS(=O)(=O)CC(=N)N MCULE-9361065749 [0,1,0,0,0,0|3,0,0]=4 626 B7R0.9 CS(=O)(=O)CC(=O)Cl MCULE-9861100117 [0,1,0,0,0,0|2,0,0]=3 627 B7R0.9 CS(=O)(=O)CC(=O)N MCULE-1619614870 [0,1,0,0,0,0|2,0,0]=3 628 B7R0.9 CS(=O)(=O)CC(=O)O MCULE-1982886035 [0,1,0,0,0,0|1,0,0]=2 629 B7R0.9 CS(=O)(=O)CC(=S)N MCULE-5575019317 [0,1,0,0,0,0|2,1,0]=4 630 B7R0.9 CS(=O)(=O)CS(=O)[O-] MCULE-3795059502 [0,1,0,0,0,0|2,0,1]=4 631 B7R0.9 CS(=O)(=O)CS(=O)[O-] MCULE-4610805240 [0,1,0,0,0,0|2,0,1]=4 632 B7R0.9 CS(=O)(=O)NC(=O)N MCULE-7868605068 [0,1,0,0,0,0|3,0,0]=4 633 B7R0.9 C[As+](C)(C)CC(=O)O MCULE-7167642312 [0,1,0,0,0,0|2,0,0]=3 634 B7R0.9 C[As+](C)(C)CC(=O)[O-] MCULE-4852790942 [0,1,0,0,0,0|2,0,1]=4 635 B7R0.9 C[N+](C)(C)CC(=O)Cl MCULE-1674168490 [0,1,0,0,0,0|3,0,0]=4 636 B7R0.9 C[N+](C)(C)CC(=O)Cl MCULE-2186832169 [0,1,0,0,0,0|3,0,0]=4 637 B7R0.9 C[N+](C)(C)CC(=O)N MCULE-3264501433 [0,1,0,0,0,0|3,0,0]=4 638 B7R0.9 C[N+](C)(C)CC(=O)N MCULE-9355968445 [0,1,0,0,0,0|3,0,0]=4 639 B7R0.9 C[N+](C)(C)CC(=O)O MCULE-5937838609 [0,1,0,0,0,0|2,0,0]=3 640 B7R0.9 C[N+](C)(C)CC(=O)[O-] MCULE-8745470661 [0,1,0,0,0,0|2,0,1]=4 641 B7R0.9 C[Si](C)(C)CC(=O)O MCULE-3888042601 [0,1,0,0,0,0|1,1,0]=3 642 B7R0.9 NC(=O)CS(=O)(=O)N MCULE-5735073011 [0,1,0,0,0,0|2,0,1]=4 643 B7R0.9 NC(=O)OP(=O)(O)O MCULE-8071699770 [0,1,0,0,0,0|3,0,0]=4 644 B7R0.9 NS(=O)(=O)CC(=O)O MCULE-1039009855 [0,1,0,0,0,0|2,0,0]=3 645 B7R0.9 O=C(Cl)CS(=O)(=O)Cl MCULE-2724707205 [0,1,0,0,0,0|2,0,1]=4 646 B7R0.9 O=C(O)CC(F)(F)F MCULE-5328586639 [0,1,0,0,0,0|2,0,1]=4 647 B7R0.9 O=C(O)CP(=O)(O)O MCULE-7055994360 [0,1,0,0,0,0|2,0,0]=3 648 B7R0.9 O=C(O)CS(=O)(=O)O MCULE-4846153382 [0,1,0,0,0,0|2,0,0]=3 649 B7R0.16 C=C(C(=O)O)C(=O)O MCULE-7540749901 [0,1,0,0,0,0|1,0,1]=3 650 B7R0.16 C=C(C(=O)O)C(C)C MCULE-6667026437 [0,1,0,0,0,0|1,0,2]=4 651 B7R0.16 C=C(C)C(C)C(=O)C MCULE-2480790812 [0,1,0,0,0,0|2,0,0]=3 652 B7R0.16 C=C(C)C(N)C(=O)O MCULE-1815568719 [0,1,0,0,0,0|1,0,0]=2 653 B7R0.16 C=C(C)C(N)C(=O)O MCULE-2839869274 [0,1,0,0,0,0|1,0,0]=2 654 B7R0.16 C=C(C)C(N)C(=O)O MCULE-5015326828 [0,1,0,0,0,0|1,0,0]=2 655 B7R0.16 C=C(C)C(N)C(=O)O MCULE-5043630144 [0,1,0,0,0,0|1,0,0]=2 656 B7R0.16 C=C(C)[C@@H](N)C(=C)O MCULE-5278584348 [0,1,0,0,0,0|2,0,0]=3 657 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-2007035571 [0,1,0,0,0,0|1,0,0]=2 658 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-6240689602 [0,1,0,0,0,0|1,0,0]=2 659 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-8025014656 [0,1,0,0,0,0|1,0,0]=2 660 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-9704891439 [0,1,0,0,0,0|1,0,0]=2 661 B7R0.16 CC(=C(Br)C(=O)O)C MCULE-8944482091 [0,1,0,0,0,0|1,0,1]=3 662 B7R0.16 CC(=C(C)C(=O)O)Br MCULE-9431818570 [0,1,0,0,0,0|1,0,1]=3 663 B7R0.16 CC(=C(C)C(=O)O)C MCULE-1062537992 [0,1,0,0,0,0|1,0,1]=3 664 B7R0.16 CC(=C(Cl)C(=O)O)C MCULE-9408683615 [0,1,0,0,0,0|1,0,1]=3 665 B7R0.16 CC(=C(F)C(=O)O)C MCULE-9025515032 [0,1,0,0,0,0|1,0,1]=3 666 B7R0.16 CC(=O)C(=C(C)[O-])C MCULE-1358390281 [0,1,0,0,0,0|1,0,2]=4 667 B7R0.16 CC(=O)C(=C(C)[O-])C MCULE-6098819264 [0,1,0,0,0,0|1,0,2]=4 668 B7R0.16 CC(=O)C(Br)C(=O)C MCULE-2980550700 [0,1,0,0,0,0|1,0,0]=2 669 B7R0.16 CC(=O)C(Br)C(C)C MCULE-2864707278 [0,1,0,0,0,0|2,0,1]=4 670 B7R0.16 CC(=O)C(C)C(=O)C MCULE-9607259412 [0,1,0,0,0,0|1,0,0]=2 671 B7R0.16 CC(=O)C(Cl)C(=O)C MCULE-4716617423 [0,1,0,0,0,0|1,0,0]=2 672 B7R0.16 CC(=O)C(Cl)C(C)C MCULE-2825069638 [0,1,0,0,0,0|2,0,1]=4 673 B7R0.16 CC(=O)C(F)C(=O)C MCULE-4665621902 [0,1,0,0,0,0|1,0,0]=2 674 B7R0.16 CC(=O)C(N)C(=O)C MCULE-6440496769 [0,1,0,0,0,0|1,0,0]=2 675 B7R0.16 CC(=O)C(N)C(=O)C MCULE-8525737264 [0,1,0,0,0,0|1,0,0]=2 676 B7R0.16 CC(=O)N(C)C(=O)C MCULE-6245493539 [0,1,0,0,0,0|2,0,0]=3 677 B7R0.16 CC(Br)C(Br)C(=O)O MCULE-8605068480 [0,1,0,0,0,0|1,0,1]=3 678 B7R0.16 CC(Br)C(O)C(=O)O MCULE-8231714451 [0,1,0,0,0,0|1,0,1]=3 679 B7R0.16 CC(C(=O)Cl)C(=O)Cl MCULE-5269923120 [0,1,0,0,0,0|2,0,0]=3 680 B7R0.16 CC(C(=O)N)C(=O)N MCULE-4912037399 [0,1,0,0,0,0|2,0,0]=3 681 B7R0.16 CC(C(=O)O)C(=O)O MCULE-7232226851 [0,1,0,0,0,0|1,0,0]=2 682 B7R0.16 CC(C(=O)O)N(C)C MCULE-2658921782 [0,1,0,0,0,0|2,0,0]=3 683 B7R0.16 CC(C(=O)O)N(C)C MCULE-4457336101 [0,1,0,0,0,0|2,0,0]=3 684 B7R0.16 CC(C(=O)O)N(C)N MCULE-1182323460 [0,1,0,0,0,0|2,0,0]=3 685 B7R0.16 CC(C(=O)[O-])C(=O)[O-] MCULE-4632089491 [0,1,0,0,0,0|1,0,1]=3 686 B7R0.16 CC(C(=O)[O-])C(=O)[O-] MCULE-8764180648 [0,1,0,0,0,0|1,0,1]=3 687 B7R0.16 CC(C)C(=O)C(=O)O MCULE-9877767821 [0,1,0,0,0,0|1,0,2]=4 688 B7R0.16 CC(C)C(Br)C(=O)Br MCULE-7135511419 [0,1,0,0,0,0|2,0,1]=4 689 B7R0.16 CC(C)C(Br)C(=O)Cl MCULE-7468132927 [0,1,0,0,0,0|2,0,1]=4 690 B7R0.16 CC(C)C(Br)C(=O)N MCULE-8059032804 [0,1,0,0,0,0|2,0,1]=4 691 B7R0.16 CC(C)C(Br)C(=O)O MCULE-7284929535 [0,1,0,0,0,0|1,0,1]=3 692 B7R0.16 CC(C)C(Br)C(=O)O MCULE-8100016953 [0,1,0,0,0,0|1,0,1]=3 693 B7R0.16 CC(C)C(C)C(=O)Cl MCULE-4466867108 [0,1,0,0,0,0|2,0,1]=4 694 B7R0.16 CC(C)C(C)C(=O)O MCULE-4998524686 [0,1,0,0,0,0|1,0,1]=3 695 B7R0.16 CC(C)C(Cl)C(=O)Cl MCULE-8764699774 [0,1,0,0,0,0|2,0,1]=4 696 B7R0.16 CC(C)C(Cl)C(=O)O MCULE-8634615546 [0,1,0,0,0,0|1,0,1]=3 697 B7R0.16 CC(C)C(F)C(=O)O MCULE-5644342535 [0,1,0,0,0,0|1,0,1]=3 698 B7R0.16 CC(C)C(N)C(=O)N MCULE-5793065876 [0,1,0,0,0,0|2,0,1]=4 699 B7R0.16 CC(C)C(N)C(=O)N MCULE-6836215171 [0,1,0,0,0,0|2,0,1]=4 700 B7R0.16 CC(C)C(N)C(=O)O MCULE-8140660263 [0,1,0,0,0,0|1,0,1]=3 701 B7R0.16 CC(C)C(N)C(=O)O MCULE-9199801639 [0,1,0,0,0,0|1,0,1]=3 702 B7R0.16 CC(C)C(O)C(=O)O MCULE-6517225229 [0,1,0,0,0,0|1,0,1]=3 703 B7R0.16 CC(C)C(O)C(=O)O MCULE-7748605101 [0,1,0,0,0,0|1,0,1]=3 704 B7R0.16 CC(C)[C@@H](Br)C(=O)O MCULE-2705531785 [0,1,0,0,0,0|1,0,1]=3 705 B7R0.16 CC(C)[C@@H](Br)C(=O)O MCULE-7570119486 [0,1,0,0,0,0|1,0,1]=3 706 B7R0.16 CC(C)[C@@H](N)C(=O)N MCULE-2330575489 [0,1,0,0,0,0|2,0,1]=4 707 B7R0.16 CC(C)[C@@H](N)C(=O)N MCULE-2653474443 [0,1,0,0,0,0|2,0,1]=4 708 B7R0.16 CC(C)[C@@H](N)C(=O)N MCULE-3449326352 [0,1,0,0,0,0|2,0,1]=4 709 B7R0.16 CC(C)[C@@H](N)C(=O)N MCULE-7409435805 [0,1,0,0,0,0|2,0,1]=4 710 B7R0.16 CC(C)[C@@H](N)C(=O)O MCULE-1338052740 [0,1,0,0,0,0|1,0,1]=3 711 B7R0.16 CC(C)[C@@H](N)C(=O)O MCULE-2459930572 [0,1,0,0,0,0|1,0,1]=3 712 B7R0.16 CC(C)[C@@H](O)C(=O)O MCULE-7719048521 [0,1,0,0,0,0|1,0,1]=3 713 B7R0.16 CC(C)[C@@H](O)C(=O)O MCULE-9864796653 [0,1,0,0,0,0|1,0,1]=3 714 B7R0.16 CC(C)[C@H](Br)C(=O)O MCULE-4863317096 [0,1,0,0,0,0|1,0,1]=3 715 B7R0.16 CC(C)[C@H](Br)C(=O)O MCULE-8695526864 [0,1,0,0,0,0|1,0,1]=3 716 B7R0.16 CC(C)[C@H](C)C(=O)O MCULE-4413397700 [0,1,0,0,0,0|1,0,1]=3 717 B7R0.16 CC(C)[C@H](C)C(=O)O MCULE-6269612306 [0,1,0,0,0,0|1,0,1]=3 718 B7R0.16 CC(C)[C@H](Cl)C(=O)O MCULE-8084934210 [0,1,0,0,0,0|1,0,1]=3 719 B7R0.16 CC(C)[C@H](Cl)C(=O)O MCULE-8307595659 [0,1,0,0,0,0|1,0,1]=3 720 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-1415573194 [0,1,0,0,0,0|2,0,1]=4 721 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-2742126302 [0,1,0,0,0,0|2,0,1]=4 722 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-3124084676 [0,1,0,0,0,0|2,0,1]=4 723 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-4854272542 [0,1,0,0,0,0|2,0,1]=4 724 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-7430998836 [0,1,0,0,0,0|2,0,1]=4 725 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-9899853579 [0,1,0,0,0,0|2,0,1]=4 726 B7R0.16 CC(C)[C@H](N)C(=O)O MCULE-2507309072 [0,1,0,0,0,0|1,0,1]=3 727 B7R0.16 CC(C)[C@H](N)C(=O)O MCULE-9143825935 [0,1,0,0,0,0|1,0,1]=3 728 B7R0.16 CC(C)[C@H](O)C(=O)O MCULE-1975771806 [0,1,0,0,0,0|1,0,1]=3 729 B7R0.16 CC(C)[C@H](O)C(=O)O MCULE-4070611738 [0,1,0,0,0,0|1,0,1]=3 730 B7R0.16 CC(F)C(N)C(=O)O MCULE-8810968604 [0,1,0,0,0,0|1,0,1]=3 731 B7R0.16 CC(N)C(C)C(=O)O MCULE-2921617741 [0,1,0,0,0,0|1,0,1]=3 732 B7R0.16 CC(N)C(C)C(=O)O MCULE-8511267926 [0,1,0,0,0,0|1,0,1]=3 733 B7R0.16 CC(N)C(O)C(=O)O MCULE-1086139043 [0,1,0,0,0,0|1,0,1]=3 734 B7R0.16 CC(N)C(O)C(=O)O MCULE-6405300346 [0,1,0,0,0,0|1,0,1]=3 735 B7R0.16 CC(O)C(C)C(=O)O MCULE-2499360516 [0,1,0,0,0,0|0,0,2]=3 736 B7R0.16 CC(O)C(N)C(=O)N MCULE-1234785834 [0,1,0,0,0,0|1,0,2]=4 737 B7R0.16 CC(O)C(N)C(=O)N MCULE-5867306342 [0,1,0,0,0,0|1,0,2]=4 738 B7R0.16 CC(O)C(N)C(=O)O MCULE-1563595722 [0,1,0,0,0,0|0,0,2]=3 739 B7R0.16 CC(O)C(N)C(=O)O MCULE-5581920538 [0,1,0,0,0,0|0,0,2]=3 740 B7R0.16 CN(C(=O)Cl)C(=O)Cl MCULE-8169088410 [0,1,0,0,0,0|3,0,0]=4 741 B7R0.16 CN(C)C(=O)C(=O)O MCULE-4063274840 [0,1,0,0,0,0|2,0,1]=4 742 B7R0.16 C[C@@H](C(=O)O)N(C)C MCULE-1371350024 [0,1,0,0,0,0|2,0,0]=3 743 B7R0.16 C[C@@H](C(=O)O)N(C)C MCULE-2001661938 [0,1,0,0,0,0|2,0,0]=3 744 B7R0.16 C[C@@H](C(=O)O)N(C)C MCULE-6789128261 [0,1,0,0,0,0|2,0,0]=3 745 B7R0.16 C[C@@H](N)[C@@H](N)C(=O)O MCULE-5302456851 [0,1,0,0,0,0|1,0,1]=3 746 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-1663687439 [0,1,0,0,0,0|0,0,2]=3 747 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-3863591433 [0,1,0,0,0,0|0,0,2]=3 748 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-8080019797 [0,1,0,0,0,0|0,0,2]=3 749 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-9284411012 [0,1,0,0,0,0|0,0,2]=3 750 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-1969228933 [0,1,0,0,0,0|1,0,2]=4 751 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-3285041526 [0,1,0,0,0,0|1,0,2]=4 752 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-5018319528 [0,1,0,0,0,0|1,0,2]=4 753 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-6080625355 [0,1,0,0,0,0|1,0,2]=4 754 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-9393787536 [0,1,0,0,0,0|1,0,2]=4 755 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-9925689829 [0,1,0,0,0,0|1,0,2]=4 756 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-2430667007 [0,1,0,0,0,0|0,0,2]=3 757 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-2676185993 [0,1,0,0,0,0|0,0,2]=3 758 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-5254477364 [0,1,0,0,0,0|0,0,2]=3 759 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-5505393195 [0,1,0,0,0,0|0,0,2]=3 760 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-7379719940 [0,1,0,0,0,0|0,0,2]=3 761 B7R0.16 C[C@@H](O)[C@H](O)C(=O)O MCULE-9383777855 [0,1,0,0,0,0|0,0,2]=3 762 B7R0.16 C[C@H](C(=O)N)N(C)C MCULE-1489374162 [0,1,0,0,0,0|3,0,0]=4 763 B7R0.16 C[C@H](C(=O)N)N(C)C MCULE-7938995734 [0,1,0,0,0,0|3,0,0]=4 764 B7R0.16 C[C@H](C(=O)O)N(C)C MCULE-2210848569 [0,1,0,0,0,0|2,0,0]=3 765 B7R0.16 C[C@H](C(=O)O)N(C)C MCULE-5148086527 [0,1,0,0,0,0|2,0,0]=3 766 B7R0.16 C[C@H](C(=O)O)[C@@H](C)N MCULE-2245171795 [0,1,0,0,0,0|1,0,1]=3 767 B7R0.16 C[C@H](C(=O)O)[C@@H](C)N MCULE-2727261050 [0,1,0,0,0,0|1,0,1]=3 768 B7R0.16 C[C@H](C(=O)O)[C@@H](C)O MCULE-8875933839 [0,1,0,0,0,0|0,0,2]=3 769 B7R0.16 C[C@H](N)[C@@H](N)C(=O)O MCULE-9507122128 [0,1,0,0,0,0|1,0,1]=3 770 B7R0.16 C[C@H](N)[C@@H](O)C(=O)O MCULE-2574349608 [0,1,0,0,0,0|1,0,1]=3 771 B7R0.16 C[C@H](N)[C@@H](O)C(=O)O MCULE-6297204649 [0,1,0,0,0,0|1,0,1]=3 772 B7R0.16 C[C@H](N)[C@H](N)C(=O)O MCULE-3178389621 [0,1,0,0,0,0|1,0,1]=3 773 B7R0.16 C[C@H](O)C(N)C(=O)O MCULE-6661175670 [0,1,0,0,0,0|0,0,2]=3 774 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-6288272506 [0,1,0,0,0,0|0,0,2]=3 775 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-7203096302 [0,1,0,0,0,0|0,0,2]=3 776 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-9531951265 [0,1,0,0,0,0|0,0,2]=3 777 B7R0.16 C[C@H](O)[C@H](N)C(=O)O MCULE-2246314901 [0,1,0,0,0,0|0,0,2]=3 778 B7R0.16 C[C@H](O)[C@H](N)C(=O)O MCULE-9478987169 [0,1,0,0,0,0|0,0,2]=3 779 B7R0.16 NC(=O)C(Br)C(=O)N MCULE-7519162871 [0,1,0,0,0,0|2,0,0]=3 780 B7R0.16 NC(=O)C(N)C(=O)N MCULE-5338329205 [0,1,0,0,0,0|2,0,0]=3 781 B7R0.16 NC(C(=O)O)C(=O)O MCULE-6118746267 [0,1,0,0,0,0|1,0,0]=2 782 B7R0.16 O=C(O)C(=C(Cl)Cl)Cl MCULE-4004262160 [0,1,0,0,0,0|2,0,1]=4 783 B7R0.16 O=C(O)C(=O)C(=O)O MCULE-9031084199 [0,1,0,0,0,0|1,0,1]=3 784 B7R0.16 O=C(O)C(Cl)C(=O)O MCULE-9776364495 [0,1,0,0,0,0|1,0,0]=2 785 B7R0.16 O=C(O)C(F)C(=O)O MCULE-9969055570 [0,1,0,0,0,0|1,0,0]=2 786 B7R0.16 O=C(O)C(O)C(=O)O MCULE-4232935518 [0,1,0,0,0,0|1,0,0]=2 787 B7R0.16 O=C(O)C(O)C(F)F MCULE-6750020534 [0,1,0,0,0,0|2,0,1]=4 788 B7R0.16 O=C([O-])C(=O)C(=O)[O-] MCULE-3642448111 [0,1,0,0,0,0|1,0,2]=4 789 B7R0.16 O=C([O-])C(=O)C(=O)[O-] MCULE-7835235837 [0,1,0,0,0,0|1,0,2]=4 790 B7R1.2 C1(CNC(=O)C1)N MCULE-6663942203 [0,0,0,1,0,0|2,0,1]=4 791 B7R1.2 C1(CNC(=O)C1)N MCULE-7862049809 [0,0,0,1,0,0|2,0,1]=4 792 B7R1.2 C1(CNC(=O)C1)O MCULE-5557473335 [0,0,0,1,0,0|1,0,2]=4 793 B7R1.2 C1(COC(=O)N1)C MCULE-2821940224 [0,0,0,1,0,0|2,0,1]=4 794 B7R1.2 C=C1CCC(=O)O1 MCULE-2485348963 [0,0,0,1,0,0|3,0,0]=4 795 B7R1.2 CC1=CC(=NO1)C MCULE-5128459474 [0,0,0,1,0,0|2,0,1]=4 796 B7R1.2 CC1=CC(=O)CC1 MCULE-5496838191 [0,0,0,1,0,0|2,0,1]=4 797 B7R1.2 CC1=CC(=O)CO1 MCULE-6570401610 [0,0,0,1,0,0|1,0,1]=3 798 B7R1.2 CC1=CC(=O)N=N1 MCULE-8356895370 [0,0,0,1,0,0|2,0,1]=4 799 B7R1.2 CC1=CC(=O)NO1 MCULE-4569959155 [0,0,0,1,0,0|1,0,2]=4 800 B7R1.2 CC1=CC(=O)OC1 MCULE-6549202383 [0,0,0,1,0,0|1,0,1]=3 801 B7R1.2 CC1=CC=C(S1)O MCULE-7587913788 [0,0,0,1,0,0|3,0,0]=4 802 B7R1.2 CC1=CCC(=O)O1 MCULE-5954539189 [0,0,0,1,0,0|3,0,0]=4 803 B7R1.2 CC1=CCC(=O)O1 MCULE-7236091694 [0,0,0,1,0,0|3,0,0]=4 804 B7R1.2 CC1=CCC(=O)S1 MCULE-5812502919 [0,0,0,1,0,0|3,0,0]=4 805 B7R1.2 CC1=CN=C(S1)O MCULE-4228024619 [0,0,0,1,0,0|3,0,0]=4 806 B7R1.2 CC1=CNC(=O)N1 MCULE-7571832495 [0,0,0,1,0,0|3,0,0]=4 807 B7R1.2 CC1=COC(=C1)C MCULE-9104872009 [0,0,0,1,0,0|2,0,1]=4 808 B7R1.2 CC1=COC(=N)N1 MCULE-2875662146 [0,0,0,1,0,0|3,0,0]=4 809 B7R1.2 CC1=COC(=N1)Br MCULE-3628895128 [0,0,0,1,0,0|3,0,0]=4 810 B7R1.2 CC1=COC(=N1)C MCULE-3626673481 [0,0,0,1,0,0|3,0,0]=4 811 B7R1.2 CC1=COC(=N1)Cl MCULE-8812650506 [0,0,0,1,0,0|3,0,0]=4 812 B7R1.2 CC1=COC(=N1)S MCULE-7659225823 [0,0,0,1,0,0|2,1,0]=4 813 B7R1.2 CC1=CSC(=C1)O MCULE-1324476521 [0,0,0,1,0,0|1,1,1]=4 814 B7R1.2 CC1=CSC(=O)N1 MCULE-6083480700 [0,0,0,1,0,0|2,1,0]=4 815 B7R1.2 CC1=NC(=CS1)O MCULE-2657600711 [0,0,0,1,0,0|2,1,0]=4 816 B7R1.2 CC1=NC(=O)N=N1 MCULE-2642903272 [0,0,0,1,0,0|3,0,0]=4 817 B7R1.2 CC1=NC(=O)NN1 MCULE-7112378155 [0,0,0,1,0,0|3,0,0]=4 818 B7R1.2 CC1=NN=C(C1)C MCULE-3200040203 [0,0,0,1,0,0|3,0,0]=4 819 B7R1.2 CC1=NN=C(C1)N MCULE-4185535753 [0,0,0,1,0,0|3,0,0]=4 820 B7R1.2 CC1=NN=C(O1)O MCULE-8136744513 [0,0,0,1,0,0|3,0,0]=4 821 B7R1.2 CC1=NN=C(S1)O MCULE-6682631031 [0,0,0,1,0,0|3,0,0]=4 822 B7R1.2 CC1=NNC(=C1)O MCULE-6802545425 [0,0,0,1,0,0|2,0,1]=4 823 B7R1.2 CC1=NNC(=O)C1 MCULE-2406140611 [0,0,0,1,0,0|2,0,0]=3 824 B7R1.2 CC1=NOC(=C1)Br MCULE-6794061121 [0,0,0,1,0,0|2,0,1]=4 825 B7R1.2 CC1=NOC(=C1)I MCULE-5795495546 [0,0,0,1,0,0|2,0,1]=4 826 B7R1.2 CC1=NOC(=C1)N MCULE-2719601999 [0,0,0,1,0,0|2,0,1]=4 827 B7R1.2 CC1=NOC(=C1)O MCULE-4469914138 [0,0,0,1,0,0|1,0,2]=4 828 B7R1.2 CC1=NOC(=C1)[O-] MCULE-1851467961 [0,0,0,1,0,0|1,0,2]=4 829 B7R1.2 CC1=NOC(=N1)Br MCULE-7788469211 [0,0,0,1,0,0|3,0,0]=4 830 B7R1.2 CC1=NOC(=N1)N MCULE-7788127715 [0,0,0,1,0,0|3,0,0]=4 831 B7R1.2 CC1=NOC(=N1)O MCULE-2537387972 [0,0,0,1,0,0|2,0,1]=4 832 B7R1.2 CC1=NOC(=O)C1 MCULE-2665741338 [0,0,0,1,0,0|1,0,0]=2 833 B7R1.2 CC1=NOC(=O)C1 MCULE-3084424307 [0,0,0,1,0,0|1,0,0]=2 834 B7R1.2 CC1=NOC(=O)O1 MCULE-5416417255 [0,0,0,1,0,0|2,0,0]=3 835 B7R1.2 CC1CC(=O)CO1 MCULE-7022597277 [0,0,0,1,0,0|1,0,1]=3 836 B7R1.2 CC1CC(=O)CS1 MCULE-7518365363 [0,0,0,1,0,0|1,1,1]=4 837 B7R1.2 CC1CC(=O)NN1 MCULE-2056748401 [0,0,0,1,0,0|2,0,1]=4 838 B7R1.2 CC1CC(=O)NN1 MCULE-8107476665 [0,0,0,1,0,0|2,0,1]=4 839 B7R1.2 CC1CCC(=O)C1 MCULE-6716533429 [0,0,0,1,0,0|2,0,1]=4 840 B7R1.2 CC1CNC(=O)C1 MCULE-7180589009 [0,0,0,1,0,0|2,0,1]=4 841 B7R1.2 CC1COC(=O)C1 MCULE-7226555218 [0,0,0,1,0,0|1,0,1]=3 842 B7R1.2 CC1COC(=O)N1 MCULE-5787960105 [0,0,0,1,0,0|2,0,1]=4 843 B7R1.2 CC1COC(=O)O1 MCULE-9055336051 [0,0,0,1,0,0|2,0,1]=4 844 B7R1.2 CN1CCC(=O)C1 MCULE-4017029823 [0,0,0,1,0,0|3,0,0]=4 845 B7R1.2 CN1CCC(=O)C1 MCULE-8684002131 [0,0,0,1,0,0|3,0,0]=4 846 B7R1.2 C[C@@H]1CC(=O)CN1 MCULE-1621276410 [0,0,0,1,0,0|2,0,1]=4 847 B7R1.2 C[C@@H]1CC(=O)CN1 MCULE-8721208019 [0,0,0,1,0,0|2,0,1]=4 848 B7R1.2 C[C@@H]1CNC(=O)C1 MCULE-2439559922 [0,0,0,1,0,0|2,0,1]=4 849 B7R1.2 C[C@@H]1CNC(=O)C1 MCULE-7246323100 [0,0,0,1,0,0|2,0,1]=4 850 B7R1.2 C[C@@H]1COC(=O)C1 MCULE-1121808555 [0,0,0,1,0,0|1,0,1]=3 851 B7R1.2 C[C@@H]1COC(=O)C1 MCULE-1627827491 [0,0,0,1,0,0|1,0,1]=3 852 B7R1.2 C[C@@H]1COC(=O)N1 MCULE-2439588002 [0,0,0,1,0,0|2,0,1]=4 853 B7R1.2 C[C@@H]1COC(=O)N1 MCULE-5329850427 [0,0,0,1,0,0|2,0,1]=4 854 B7R1.2 C[C@@H]1COC(=O)O1 MCULE-3187800510 [0,0,0,1,0,0|2,0,1]=4 855 B7R1.2 C[C@@H]1COC(=O)O1 MCULE-6719271655 [0,0,0,1,0,0|2,0,1]=4 856 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-3272300487 [0,0,0,1,0,0|2,0,1]=4 857 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-4583858198 [0,0,0,1,0,0|2,0,1]=4 858 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-5135895304 [0,0,0,1,0,0|2,0,1]=4 859 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-6058896534 [0,0,0,1,0,0|2,0,1]=4 860 B7R1.2 C[C@H]1CCC(=O)C1 MCULE-7319626625 [0,0,0,1,0,0|2,0,1]=4 861 B7R1.2 C[C@H]1CNC(=O)C1 MCULE-3395896178 [0,0,0,1,0,0|2,0,1]=4 862 B7R1.2 C[C@H]1CNC(=O)C1 MCULE-8492971593 [0,0,0,1,0,0|2,0,1]=4 863 B7R1.2 C[C@H]1COC(=O)C1 MCULE-6050720348 [0,0,0,1,0,0|1,0,1]=3 864 B7R1.2 C[C@H]1COC(=O)N1 MCULE-7240884474 [0,0,0,1,0,0|2,0,1]=4 865 B7R1.2 C[C@H]1COC(=O)N1 MCULE-7811823319 [0,0,0,1,0,0|2,0,1]=4 866 B7R1.2 C[C@H]1COC(=O)O1 MCULE-2416711374 [0,0,0,1,0,0|2,0,1]=4 867 B7R1.2 C[C@H]1COC(=O)O1 MCULE-4223856214 [0,0,0,1,0,0|2,0,1]=4 868 B7R1.2 N=C1CSC(=O)N1 MCULE-9647262906 [0,0,0,1,0,0|2,1,0]=4 869 B7R1.2 NC1=CC(=O)CC1 MCULE-9465243079 [0,0,0,1,0,0|2,0,1]=4 870 B7R1.2 NC1=CC(=O)CS1 MCULE-9118810823 [0,0,0,1,0,0|1,1,1]=4 871 B7R1.2 NC1=NC(=O)CO1 MCULE-5739646901 [0,0,0,1,0,0|2,0,0]=3 872 B7R1.2 NC1=NC(=O)CS1 MCULE-1329225872 [0,0,0,1,0,0|2,1,0]=4 873 B7R1.2 NC1=NC(=O)CS1 MCULE-6008399337 [0,0,0,1,0,0|2,1,0]=4 874 B7R1.2 NC1=NCC(=O)N1 MCULE-7816305365 [0,0,0,1,0,0|3,0,0]=4 875 B7R1.2 NC1=NCC(=O)N1 MCULE-9546104284 [0,0,0,1,0,0|3,0,0]=4 876 B7R1.2 NC1=NCC(=O)S1 MCULE-1885235061 [0,0,0,1,0,0|3,0,0]=4 877 B7R1.2 NC1=NNC(=O)C1 MCULE-1000997494 [0,0,0,1,0,0|3,0,0]=4 878 B7R1.2 NC1CCC(=O)C1 MCULE-5102535286 [0,0,0,1,0,0|2,0,1]=4 879 B7R1.2 NC1CCC(=O)C1 MCULE-7722818264 [0,0,0,1,0,0|2,0,1]=4 880 B7R1.2 NC1CNC(=O)C1 MCULE-1690074091 [0,0,0,1,0,0|2,0,1]=4 881 B7R1.2 NC1CNC(=O)C1 MCULE-2563813057 [0,0,0,1,0,0|2,0,1]=4 882 B7R1.2 NC1CNC(=O)C1 MCULE-5332234739 [0,0,0,1,0,0|2,0,1]=4 883 B7R1.2 NC1CNC(=O)C1 MCULE-9955937074 [0,0,0,1,0,0|2,0,1]=4 884 B7R1.2 NC1COC(=O)C1 MCULE-1027386953 [0,0,0,1,0,0|1,0,1]=3 885 B7R1.2 NC1COC(=O)C1 MCULE-1493825051 [0,0,0,1,0,0|1,0,1]=3 886 B7R1.2 NC1COC(=O)C1 MCULE-3118610284 [0,0,0,1,0,0|1,0,1]=3 887 B7R1.2 NC1COC(=O)C1 MCULE-8194840985 [0,0,0,1,0,0|1,0,1]=3 888 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-1502944618 [0,0,0,1,0,0|2,0,1]=4 889 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-2444469131 [0,0,0,1,0,0|2,0,1]=4 890 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-7277309874 [0,0,0,1,0,0|2,0,1]=4 891 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-8533160250 [0,0,0,1,0,0|2,0,1]=4 892 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-2437548952 [0,0,0,1,0,0|1,0,1]=3 893 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-4215135536 [0,0,0,1,0,0|1,0,1]=3 894 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-4884145743 [0,0,0,1,0,0|1,0,1]=3 895 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-9276068415 [0,0,0,1,0,0|1,0,1]=3 896 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-1884894725 [0,0,0,1,0,0|2,0,1]=4 897 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-2130809002 [0,0,0,1,0,0|2,0,1]=4 898 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-3881338264 [0,0,0,1,0,0|2,0,1]=4 899 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-4324375667 [0,0,0,1,0,0|2,0,1]=4 900 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-5900761307 [0,0,0,1,0,0|2,0,1]=4 901 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-6007209179 [0,0,0,1,0,0|2,0,1]=4 902 B7R1.2 N[C@H]1COC(=O)C1 MCULE-2936782126 [0,0,0,1,0,0|1,0,1]=3 903 B7R1.2 N[C@H]1COC(=O)C1 MCULE-4255876921 [0,0,0,1,0,0|1,0,1]=3 904 B7R1.2 N[C@H]1COC(=O)C1 MCULE-5377151477 [0,0,0,1,0,0|1,0,1]=3 905 B7R1.2 N[C@H]1COC(=O)C1 MCULE-6406960509 [0,0,0,1,0,0|1,0,1]=3 906 B7R1.2 O=C1C=C(CC1)Br MCULE-8421005141 [0,0,0,1,0,0|2,0,1]=4 907 B7R1.2 O=C1C=C(CC1)Cl MCULE-4481059890 [0,0,0,1,0,0|2,0,1]=4 908 B7R1.2 O=C1C=C(CC1)I MCULE-9887353763 [0,0,0,1,0,0|2,0,1]=4 909 B7R1.2 O=C1C=C(CC1)O MCULE-4815747510 [0,0,0,1,0,0|1,0,1]=3 910 B7R1.2 O=C1C=C(CN1)Br MCULE-7250904402 [0,0,0,1,0,0|2,0,1]=4 911 B7R1.2 O=C1C=C(CN1)O MCULE-4305405716 [0,0,0,1,0,0|1,0,2]=4 912 B7R1.2 O=C1C=C(CO1)Br MCULE-8883097432 [0,0,0,1,0,0|1,0,1]=3 913 B7R1.2 O=C1C=C(CO1)O MCULE-5095558101 [0,0,0,1,0,0|0,0,2]=3 914 B7R1.2 O=C1C=CC(=O)C1 MCULE-7662591278 [0,0,0,1,0,0|1,0,1]=3 915 B7R1.2 O=C1C=CC(=O)N1 MCULE-3677915339 [0,0,0,1,0,0|2,0,1]=4 916 B7R1.2 O=C1C=CC(=O)O1 MCULE-5322674641 [0,0,0,1,0,0|2,0,1]=4 917 B7R1.2 O=C1C=CC(C1)O MCULE-6464451546 [0,0,0,1,0,0|1,0,2]=4 918 B7R1.2 O=C1C=C[C@@H](C1)O MCULE-4535052390 [0,0,0,1,0,0|1,0,2]=4 919 B7R1.2 O=C1C=C[C@H](C1)O MCULE-9347047598 [0,0,0,1,0,0|1,0,2]=4 920 B7R1.2 O=C1CC(=CO1)O MCULE-3691688750 [0,0,0,1,0,0|0,0,2]=3 921 B7R1.2 O=C1CC(=O)NN1 MCULE-4591056937 [0,0,0,1,0,0|2,0,0]=3 922 B7R1.2 O=C1CC(CN1)O MCULE-8498039777 [0,0,0,1,0,0|1,0,2]=4 923 B7R1.2 O=C1CC(CN1)S MCULE-3257609096 [0,0,0,1,0,0|1,1,1]=4 924 B7R1.2 O=C1CC(CO1)O MCULE-3779919332 [0,0,0,1,0,0|0,0,2]=3 925 B7R1.2 O=C1CC(CO1)O MCULE-5609071664 [0,0,0,1,0,0|0,0,2]=3 926 B7R1.2 O=C1CCC(=O)C1 MCULE-6436831689 [0,0,0,1,0,0|1,0,0]=2 927 B7R1.2 O=C1CCC(=O)N1 MCULE-8278049979 [0,0,0,1,0,0|2,0,0]=3 928 B7R1.2 O=C1CCC(=O)O1 MCULE-1458819618 [0,0,0,1,0,0|2,0,0]=3 929 B7R1.2 O=C1CCC(C1)F MCULE-9585894610 [0,0,0,1,0,0|2,0,1]=4 930 B7R1.2 O=C1CCC(C1)I MCULE-5558007377 [0,0,0,1,0,0|2,0,1]=4 931 B7R1.2 O=C1CCC(C1)O MCULE-8500536547 [0,0,0,1,0,0|1,0,1]=3 932 B7R1.2 O=C1CCC(N1)O MCULE-1790956080 [0,0,0,1,0,0|2,0,1]=4 933 B7R1.2 O=C1CCC(O1)O MCULE-5296344468 [0,0,0,1,0,0|2,0,1]=4 934 B7R1.2 O=C1CNC(=O)C1 MCULE-6981924013 [0,0,0,1,0,0|1,0,0]=2 935 B7R1.2 O=C1CNC(=O)N1 MCULE-6812812243 [0,0,0,1,0,0|2,0,0]=3 936 B7R1.2 O=C1CNC(=O)O1 MCULE-7702120642 [0,0,0,1,0,0|2,0,0]=3 937 B7R1.2 O=C1CNC(=O)S1 MCULE-5050685903 [0,0,0,1,0,0|2,0,0]=3 938 B7R1.2 O=C1CNC(=S)N1 MCULE-3766479597 [0,0,0,1,0,0|2,1,0]=4 939 B7R1.2 O=C1CNC(=S)S1 MCULE-4359186239 [0,0,0,1,0,0|2,1,0]=4 940 B7R1.2 O=C1COC(=O)C1 MCULE-3258090872 [0,0,0,1,0,0|0,0,0]=1 941 B7R1.2 O=C1COC(=O)N1 MCULE-3103815953 [0,0,0,1,0,0|1,0,0]=2 942 B7R1.2 O=C1COC(=O)[N-]1 MCULE-2786348217 [0,0,0,1,0,0|1,0,0]=2 943 B7R1.2 O=C1CSC(=O)N1 MCULE-8206580994 [0,0,0,1,0,0|1,1,0]=3 944 B7R1.2 O=C1CSC(=S)N1 MCULE-8840169234 [0,0,0,1,0,0|1,2,0]=4 945 B7R1.2 O=C1C[C@@H](CN1)O MCULE-2016792324 [0,0,0,1,0,0|1,0,2]=4 946 B7R1.2 O=C1C[C@@H](CN1)O MCULE-9756194758 [0,0,0,1,0,0|1,0,2]=4 947 B7R1.2 O=C1C[C@@H](CO1)O MCULE-1467506377 [0,0,0,1,0,0|0,0,2]=3 948 B7R1.2 O=C1C[C@@H](CO1)O MCULE-3668466479 [0,0,0,1,0,0|0,0,2]=3 949 B7R1.2 O=C1C[C@H](CN1)O MCULE-2017150152 [0,0,0,1,0,0|1,0,2]=4 950 B7R1.2 O=C1C[C@H](CN1)O MCULE-5168961542 [0,0,0,1,0,0|1,0,2]=4 951 B7R1.2 O=C1C[C@H](CN1)S MCULE-6980612759 [0,0,0,1,0,0|1,1,1]=4 952 B7R1.2 O=C1C[C@H](CN1)S MCULE-7205538285 [0,0,0,1,0,0|1,1,1]=4 953 B7R1.2 O=C1C[C@H](CO1)O MCULE-5756899897 [0,0,0,1,0,0|0,0,2]=3 954 B7R1.2 O=C1C[C@H](CO1)O MCULE-6247095672 [0,0,0,1,0,0|0,0,2]=3 955 B7R1.2 O=C1NC(=CS1)O MCULE-2237666080 [0,0,0,1,0,0|3,0,0]=4 956 B7R1.2 O=C1NC(=S)CS1 MCULE-8601205978 [0,0,0,1,0,0|1,2,0]=4 957 B7R1.2 O=C1NCC(=S)N1 MCULE-9753398150 [0,0,0,1,0,0|2,1,0]=4 958 B7R1.2 O=C1NNC(=O)N1 MCULE-5611157961 [0,0,0,1,0,0|3,0,0]=4 959 B7R1.2 O=C1NOC(=O)N1 MCULE-5599103299 [0,0,0,1,0,0|2,0,0]=3 960 B7R1.2 O=C1OCC(O1)Cl MCULE-4046020713 [0,0,0,1,0,0|2,0,1]=4 961 B7R1.2 O=C1OCC(O1)F MCULE-7198712298 [0,0,0,1,0,0|2,0,1]=4 962 B7R1.2 [C@H]1(CCC(=O)C1)C MCULE-3827565169 [0,0,0,1,0,0|2,0,1]=4 963 B7R1.12 C=C1CC1C(=O)O MCULE-4330944573 [0,0,0,1,0,0|1,0,0]=2 964 B7R1.12 CC(=O)C1CC1C MCULE-5857709747 [0,0,0,1,0,0|2,0,1]=4 965 B7R1.12 CC(=O)[C@@H]1C[C@H]1C MCULE-4367650211 [0,0,0,1,0,0|2,0,1]=4 966 B7R1.12 CC1=CC1C(=O)O MCULE-6979504623 [0,0,0,1,0,0|1,0,0]=2 967 B7R1.12 CC1CC1C(=O)Cl MCULE-7645594952 [0,0,0,1,0,0|2,0,1]=4 968 B7R1.12 CC1CC1C(=O)N MCULE-4145079494 [0,0,0,1,0,0|2,0,1]=4 969 B7R1.12 CC1CC1C(=O)O MCULE-1757330006 [0,0,0,1,0,0|1,0,1]=3 970 B7R1.12 CC1SC1C(=O)N MCULE-7010314546 [0,0,0,1,0,0|1,1,1]=4 971 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O MCULE-1245851874 [0,0,0,1,0,0|1,0,1]=3 972 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O MCULE-9582782871 [0,0,0,1,0,0|1,0,1]=3 973 B7R1.12 C[C@@H]1C[C@H]1C(=O)O MCULE-2621918749 [0,0,0,1,0,0|1,0,1]=3 974 B7R1.12 C[C@@H]1C[C@H]1C(=O)O MCULE-7347988261 [0,0,0,1,0,0|1,0,1]=3 975 B7R1.12 C[C@H]1C[C@@H]1C(=O)O MCULE-4499487863 [0,0,0,1,0,0|1,0,1]=3 976 B7R1.12 C[C@H]1C[C@@H]1C(=O)O MCULE-9300153165 [0,0,0,1,0,0|1,0,1]=3 977 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-4410115478 [0,0,0,1,0,0|1,0,1]=3 978 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-6590525761 [0,0,0,1,0,0|1,0,1]=3 979 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-8070492716 [0,0,0,1,0,0|1,0,1]=3 980 B7R1.12 NC(=O)C1CC1N MCULE-9433325277 [0,0,0,1,0,0|2,0,1]=4 981 B7R1.12 NC(=O)[C@@H]1C[C@@H]1F MCULE-2857193174 [0,0,0,1,0,0|2,0,1]=4 982 B7R1.12 O=C(O)C1CC1Br MCULE-6387317137 [0,0,0,1,0,0|1,0,1]=3 983 B7R1.12 O=C(O)C1CC1Cl MCULE-8907850405 [0,0,0,1,0,0|1,0,1]=3 984 B7R1.12 O=C(O)C1CC1F MCULE-8258481986 [0,0,0,1,0,0|1,0,1]=3 985 B7R1.12 O=C(O)C1CC1I MCULE-9535592263 [0,0,0,1,0,0|1,0,1]=3 986 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F MCULE-1882710455 [0,0,0,1,0,0|1,0,1]=3 987 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F MCULE-7715660561 [0,0,0,1,0,0|1,0,1]=3 988 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F MCULE-7741460434 [0,0,0,1,0,0|1,0,1]=3 989 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I MCULE-2594739726 [0,0,0,1,0,0|1,0,1]=3 990 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I MCULE-3033770510 [0,0,0,1,0,0|1,0,1]=3 991 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I MCULE-6224902495 [0,0,0,1,0,0|1,0,1]=3 992 B7R1.12 O=C(O)[C@@H]1C[C@H]1Br MCULE-3031410853 [0,0,0,1,0,0|1,0,1]=3 993 B7R1.12 O=C(O)[C@@H]1C[C@H]1F MCULE-1201733028 [0,0,0,1,0,0|1,0,1]=3 994 B7R1.12 O=C(O)[C@@H]1C[C@H]1F MCULE-5963625184 [0,0,0,1,0,0|1,0,1]=3 995 B7R1.12 O=C(O)[C@@H]1C[C@H]1F MCULE-9724617114 [0,0,0,1,0,0|1,0,1]=3 996 B7R1.12 O=C(O)[C@@H]1C[C@H]1I MCULE-3702576454 [0,0,0,1,0,0|1,0,1]=3 997 B7R1.12 O=C(O)[C@H]1C[C@@H]1F MCULE-3766204952 [0,0,0,1,0,0|1,0,1]=3 998 B7R1.12 O=C(O)[C@H]1C[C@@H]1F MCULE-4258983574 [0,0,0,1,0,0|1,0,1]=3 999 B7R1.12 O=C(O)[C@H]1C[C@H]1Br MCULE-3094747797 [0,0,0,1,0,0|1,0,1]=3 1000 B7R1.12 O=C(O)[C@H]1C[C@H]1F MCULE-7993479857 [0,0,0,1,0,0|1,0,1]=3 1001 B7R1.12 O=C(O)[C@H]1C[C@H]1F MCULE-9922834235 [0,0,0,1,0,0|1,0,1]=3 1002 B7R1.12 O=C(O)[C@H]1C[C@H]1I MCULE-5714437007 [0,0,0,1,0,0|1,0,1]=3 1003 B7R1.12 O=C(O)[C@H]1C[C@H]1I MCULE-8000208987 [0,0,0,1,0,0|1,0,1]=3 1004 B7R1.12 [C@H]1(C[C@H]1C(=O)O)C MCULE-9539625763 [0,0,0,1,0,0|1,0,1]=3 1005 B7R1.16 CC1(CC(=O)C1)C MCULE-4306266527 [0,0,0,1,0,0|2,0,1]=4 1006 B7R1.16 CC1(CC(=O)C1)N MCULE-1739432720 [0,0,0,1,0,0|2,0,1]=4 1007 B7R1.16 CC1(CC(=O)C1)N MCULE-2529462721 [0,0,0,1,0,0|2,0,1]=4 1008 B7R1.16 CC1(CC(=O)N1)C MCULE-5555898363 [0,0,0,1,0,0|2,0,1]=4 1009 B7R1.16 O=C1CC(C1)(F)F MCULE-6471478479 [0,0,0,1,0,0|2,0,1]=4 1010 B7R1.16 O=C1CS(=O)(=O)C1 MCULE-9020745203 [0,0,0,1,0,0|1,0,1]=3 1011 B7R1.20 CC(=O)CC1CC1 MCULE-3465510397 [0,0,0,1,0,0|2,0,1]=4 1012 B7R1.20 NC(=O)CC1CC1 MCULE-3835601763 [0,0,0,1,0,0|2,0,1]=4 1013 B7R1.20 NC(=O)CC1CO1 MCULE-9954364706 [0,0,0,1,0,0|1,0,2]=4 1014 B7R1.20 O=C(Cl)CC1CC1 MCULE-9640878584 [0,0,0,1,0,0|2,0,1]=4 1015 B7R1.20 O=C(O)C=C1CC1 MCULE-7214971091 [0,0,0,1,0,0|1,0,1]=3 1016 B7R1.20 O=C(O)CC1CC1 MCULE-3026300598 [0,0,0,1,0,0|1,0,1]=3 1017 B7R1.20 O=C(O)CC1CO1 MCULE-5322663834 [0,0,0,1,0,0|0,0,2]=3 1018 B7R1.20 O=C(O)C[C@H]1CO1 MCULE-2418249972 [0,0,0,1,0,0|0,0,2]=3 1019 B5R0.5 C=C(Br)C(=O)O MCULE-2068246942 [0,0,0,0,1,0|1,0,1]=3 1020 B5R0.5 C=C(C)B(O)O MCULE-1381151629 [0,0,0,0,1,0|2,0,1]=4 1021 B5R0.5 C=C(C)C(=C)C MCULE-6799765242 [0,0,0,0,1,0|3,0,0]=4 1022 B5R0.5 C=C(C)C(=O)C MCULE-5872425076 [0,0,0,0,1,0|2,0,0]=3 1023 B5R0.5 C=C(C)C(=O)Cl MCULE-9163474336 [0,0,0,0,1,0|2,0,0]=3 1024 B5R0.5 C=C(C)C(=O)N MCULE-3416322097 [0,0,0,0,1,0|2,0,0]=3 1025 B5R0.5 C=C(C)C(=O)O MCULE-9899621926 [0,0,0,0,1,0|1,0,0]=2 1026 B5R0.5 C=C(C)C(=O)[O-] MCULE-5299174444 [0,0,0,0,1,0|1,0,1]=3 1027 B5R0.5 C=C(C)C(=O)[O-] MCULE-7320418926 [0,0,0,0,1,0|1,0,1]=3 1028 B5R0.5 C=C(C)C(=O)[O-] MCULE-7347881815 [0,0,0,0,1,0|1,0,1]=3 1029 B5R0.5 C=C(C)C(C)O MCULE-3768810742 [0,0,0,0,1,0|2,0,1]=4 1030 B5R0.5 C=C(Cl)C(=O)O MCULE-8316225208 [0,0,0,0,1,0|1,0,1]=3 1031 B5R0.5 C=C(F)C(=O)Cl MCULE-6769824615 [0,0,0,0,1,0|2,0,1]=4 1032 B5R0.5 C=C(F)C(=O)O MCULE-7137929861 [0,0,0,0,1,0|1,0,1]=3 1033 B5R0.5 C=C(F)C(=O)[O-] MCULE-1806853701 [0,0,0,0,1,0|1,0,2]=4 1034 B5R0.5 CC(=C(C)Br)C MCULE-2244219065 [0,0,0,0,1,0|3,0,0]=4 1035 B5R0.5 CC(=C(C)C)C MCULE-2888318026 [0,0,0,0,1,0|3,0,0]=4 1036 B5R0.5 CC(=O)C(=O)C MCULE-5742661187 [0,0,0,0,1,0|1,0,0]=2 1037 B5R0.5 CC(=O)C(=O)Cl MCULE-3413498860 [0,0,0,0,1,0|1,0,0]=2 1038 B5R0.5 CC(=O)C(=O)N MCULE-6804734996 [0,0,0,0,1,0|1,0,0]=2 1039 B5R0.5 CC(=O)C(=O)O MCULE-8587144313 [0,0,0,0,1,0|0,0,0]=1 1040 B5R0.5 CC(=O)C(=O)[O-] MCULE-2773521709 [0,0,0,0,1,0|0,0,1]=2 1041 B5R0.5 CC(=O)C(=O)[O-] MCULE-7007482346 [0,0,0,0,1,0|0,0,1]=2 1042 B5R0.5 CC(=O)C(=O)[O-] MCULE-8344520452 [0,0,0,0,1,0|0,0,1]=2 1043 B5R0.5 CC(=O)C(=S)N MCULE-3142518834 [0,0,0,0,1,0|1,1,0]=3 1044 B5R0.5 CC(=O)C(C)Br MCULE-3764525199 [0,0,0,0,1,0|2,0,1]=4 1045 B5R0.5 CC(=O)C(C)C MCULE-5982732938 [0,0,0,0,1,0|2,0,1]=4 1046 B5R0.5 CC(=O)C(C)Cl MCULE-5065840606 [0,0,0,0,1,0|2,0,1]=4 1047 B5R0.5 CC(=O)C(C)F MCULE-2129925918 [0,0,0,0,1,0|2,0,1]=4 1048 B5R0.5 CC(=O)C(C)N MCULE-5716124999 [0,0,0,0,1,0|2,0,1]=4 1049 B5R0.5 CC(=O)C(C)N MCULE-9248002534 [0,0,0,0,1,0|2,0,1]=4 1050 B5R0.5 CC(=O)C(C)O MCULE-5374414264 [0,0,0,0,1,0|1,0,1]=3 1051 B5R0.5 CC(=O)C(C)S MCULE-2716722148 [0,0,0,0,1,0|1,1,1]=4 1052 B5R0.5 CC(=O)C(Cl)Cl MCULE-9043899746 [0,0,0,0,1,0|2,0,1]=4 1053 B5R0.5 CC(=O)C(F)F MCULE-9206168077 [0,0,0,0,1,0|2,0,1]=4 1054 B5R0.5 CC(=O)N(C)C MCULE-4256511309 [0,0,0,0,1,0|3,0,0]=4 1055 B5R0.5 CC(=O)N(C)N MCULE-2447375293 [0,0,0,0,1,0|3,0,0]=4 1056 B5R0.5 CC(=O)[C@H](C)N MCULE-2609095078 [0,0,0,0,1,0|2,0,1]=4 1057 B5R0.5 CC(=O)[C@H](C)N MCULE-6039921944 [0,0,0,0,1,0|2,0,1]=4 1058 B5R0.5 CC(=O)[C@H](C)N MCULE-6387613992 [0,0,0,0,1,0|2,0,1]=4 1059 B5R0.5 CC(=O)[C@H](C)N MCULE-7052375323 [0,0,0,0,1,0|2,0,1]=4 1060 B5R0.5 CC(Br)C(=O)Br MCULE-2400047844 [0,0,0,0,1,0|2,0,1]=4 1061 B5R0.5 CC(Br)C(=O)Cl MCULE-7431871683 [0,0,0,0,1,0|2,0,1]=4 1062 B5R0.5 CC(Br)C(=O)N MCULE-9226586148 [0,0,0,0,1,0|2,0,1]=4 1063 B5R0.5 CC(Br)C(=O)O MCULE-3935837943 [0,0,0,0,1,0|1,0,1]=3 1064 B5R0.5 CC(Br)C(=O)O MCULE-6068441065 [0,0,0,0,1,0|1,0,1]=3 1065 B5R0.5 CC(C)C(=O)Br MCULE-3679003896 [0,0,0,0,1,0|2,0,1]=4 1066 B5R0.5 CC(C)C(=O)Cl MCULE-6582236331 [0,0,0,0,1,0|2,0,1]=4 1067 B5R0.5 CC(C)C(=O)N MCULE-9773835068 [0,0,0,0,1,0|2,0,1]=4 1068 B5R0.5 CC(C)C(=O)O MCULE-7783770647 [0,0,0,0,1,0|1,0,1]=3 1069 B5R0.5 CC(C)C(=O)S MCULE-9552406593 [0,0,0,0,1,0|1,1,1]=4 1070 B5R0.5 CC(C)S(=O)O MCULE-5200056082 [0,0,0,0,1,0|2,0,1]=4 1071 B5R0.5 CC(Cl)C(=O)Cl MCULE-6547241717 [0,0,0,0,1,0|2,0,1]=4 1072 B5R0.5 CC(Cl)C(=O)N MCULE-5322078211 [0,0,0,0,1,0|2,0,1]=4 1073 B5R0.5 CC(Cl)C(=O)O MCULE-3597230803 [0,0,0,0,1,0|1,0,1]=3 1074 B5R0.5 CC(Cl)C(=O)O MCULE-5449120618 [0,0,0,0,1,0|1,0,1]=3 1075 B5R0.5 CC(F)C(=O)O MCULE-7334922730 [0,0,0,0,1,0|1,0,1]=3 1076 B5R0.5 CC(I)C(=O)N MCULE-8608495554 [0,0,0,0,1,0|2,0,1]=4 1077 B5R0.5 CC(N)C(=O)N MCULE-1264398810 [0,0,0,0,1,0|2,0,1]=4 1078 B5R0.5 CC(N)C(=O)N MCULE-2251123672 [0,0,0,0,1,0|2,0,1]=4 1079 B5R0.5 CC(N)C(=O)N MCULE-2273926073 [0,0,0,0,1,0|2,0,1]=4 1080 B5R0.5 CC(N)C(=O)N MCULE-5340923071 [0,0,0,0,1,0|2,0,1]=4 1081 B5R0.5 CC(N)C(=O)N MCULE-6061233032 [0,0,0,0,1,0|2,0,1]=4 1082 B5R0.5 CC(N)C(=O)N MCULE-9273221837 [0,0,0,0,1,0|2,0,1]=4 1083 B5R0.5 CC(N)C(=O)O MCULE-3498369789 [0,0,0,0,1,0|1,0,1]=3 1084 B5R0.5 CC(N)C(=O)O MCULE-3809839392 [0,0,0,0,1,0|1,0,1]=3 1085 B5R0.5 CC(N)C(=O)O MCULE-4751903561 [0,0,0,0,1,0|1,0,1]=3 1086 B5R0.5 CC(N)C(=O)O MCULE-6963397848 [0,0,0,0,1,0|1,0,1]=3 1087 B5R0.5 CC(O)C(=O)N MCULE-6247123668 [0,0,0,0,1,0|1,0,2]=4 1088 B5R0.5 CC(O)C(=O)N MCULE-7823792358 [0,0,0,0,1,0|1,0,2]=4 1089 B5R0.5 CC(O)C(=O)O MCULE-3922256529 [0,0,0,0,1,0|0,0,2]=3 1090 B5R0.5 CC(O)C(=O)O MCULE-5387110670 [0,0,0,0,1,0|0,0,2]=3 1091 B5R0.5 CC(O)C(=O)[O-] MCULE-1056716990 [0,0,0,0,1,0|0,0,3]=4 1092 B5R0.5 CC(O)C(=O)[O-] MCULE-8184872865 [0,0,0,0,1,0|0,0,3]=4 1093 B5R0.5 CC(O)C(=O)[O-] MCULE-8730993694 [0,0,0,0,1,0|0,0,3]=4 1094 B5R0.5 CC(S)C(=O)N MCULE-1465182001 [0,0,0,0,1,0|1,1,1]=4 1095 B5R0.5 CC(S)C(=O)O MCULE-6944738352 [0,0,0,0,1,0|0,1,1]=3 1096 B5R0.5 CN(C)C(=O)Cl MCULE-1738506605 [0,0,0,0,1,0|3,0,0]=4 1097 B5R0.5 CN(C)C(=O)N MCULE-3142720631 [0,0,0,0,1,0|3,0,0]=4 1098 B5R0.5 CN(C)C(=O)O MCULE-1039144559 [0,0,0,0,1,0|2,0,0]=3 1099 B5R0.5 CN(C)C(=O)[O-] MCULE-5405204721 [0,0,0,0,1,0|2,0,1]=4 1100 B5R0.5 CN(N)C(=O)N MCULE-9114734246 [0,0,0,0,1,0|3,0,0]=4 1101 B5R0.5 C[C@@H](Br)C(=O)O MCULE-8303539222 [0,0,0,0,1,0|1,0,1]=3 1102 B5R0.5 C[C@@H](Br)C(=O)O MCULE-8530283309 [0,0,0,0,1,0|1,0,1]=3 1103 B5R0.5 C[C@@H](Cl)C(=O)Cl MCULE-3579498695 [0,0,0,0,1,0|2,0,1]=4 1104 B5R0.5 C[C@@H](Cl)C(=O)O MCULE-6578788045 [0,0,0,0,1,0|1,0,1]=3 1105 B5R0.5 C[C@@H](Cl)C(=O)O MCULE-8314108697 [0,0,0,0,1,0|1,0,1]=3 1106 B5R0.5 C[C@@H](F)C(=O)N MCULE-1505685009 [0,0,0,0,1,0|2,0,1]=4 1107 B5R0.5 C[C@@H](N)C(=O)N MCULE-4677983549 [0,0,0,0,1,0|2,0,1]=4 1108 B5R0.5 C[C@@H](N)C(=O)N MCULE-6112443507 [0,0,0,0,1,0|2,0,1]=4 1109 B5R0.5 C[C@@H](N)C(=O)N MCULE-7940270709 [0,0,0,0,1,0|2,0,1]=4 1110 B5R0.5 C[C@@H](N)C(=O)N MCULE-8482332558 [0,0,0,0,1,0|2,0,1]=4 1111 B5R0.5 C[C@@H](N)C(=O)O MCULE-3571488623 [0,0,0,0,1,0|1,0,1]=3 1112 B5R0.5 C[C@@H](N)C(=O)O MCULE-9756365751 [0,0,0,0,1,0|1,0,1]=3 1113 B5R0.5 C[C@@H](O)C(=O)N MCULE-2026557726 [0,0,0,0,1,0|1,0,2]=4 1114 B5R0.5 C[C@@H](O)C(=O)N MCULE-8056291801 [0,0,0,0,1,0|1,0,2]=4 1115 B5R0.5 C[C@@H](O)C(=O)O MCULE-4625208788 [0,0,0,0,1,0|0,0,2]=3 1116 B5R0.5 C[C@@H](O)C(=O)O MCULE-9141235095 [0,0,0,0,1,0|0,0,2]=3 1117 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-5673591667 [0,0,0,0,1,0|0,0,3]=4 1118 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-8146434340 [0,0,0,0,1,0|0,0,3]=4 1119 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-9026662277 [0,0,0,0,1,0|0,0,3]=4 1120 B5R0.5 C[C@H](Br)C(=O)Cl MCULE-2960953088 [0,0,0,0,1,0|2,0,1]=4 1121 B5R0.5 C[C@H](Br)C(=O)O MCULE-4788730445 [0,0,0,0,1,0|1,0,1]=3 1122 B5R0.5 C[C@H](Br)C(=O)O MCULE-9354978281 [0,0,0,0,1,0|1,0,1]=3 1123 B5R0.5 C[C@H](Cl)C(=O)O MCULE-4816831649 [0,0,0,0,1,0|1,0,1]=3 1124 B5R0.5 C[C@H](Cl)C(=O)O MCULE-8389122613 [0,0,0,0,1,0|1,0,1]=3 1125 B5R0.5 C[C@H](F)C(=O)N MCULE-7457242428 [0,0,0,0,1,0|2,0,1]=4 1126 B5R0.5 C[C@H](N)C(=O)N MCULE-4716963408 [0,0,0,0,1,0|2,0,1]=4 1127 B5R0.5 C[C@H](N)C(=O)N MCULE-6879702251 [0,0,0,0,1,0|2,0,1]=4 1128 B5R0.5 C[C@H](N)C(=O)N MCULE-7090555441 [0,0,0,0,1,0|2,0,1]=4 1129 B5R0.5 C[C@H](N)C(=O)N MCULE-7293369315 [0,0,0,0,1,0|2,0,1]=4 1130 B5R0.5 C[C@H](N)C(=O)N MCULE-7341432132 [0,0,0,0,1,0|2,0,1]=4 1131 B5R0.5 C[C@H](N)C(=O)N MCULE-7556063213 [0,0,0,0,1,0|2,0,1]=4 1132 B5R0.5 C[C@H](N)C(=O)N MCULE-8320991932 [0,0,0,0,1,0|2,0,1]=4 1133 B5R0.5 C[C@H](N)C(=O)N MCULE-8491573930 [0,0,0,0,1,0|2,0,1]=4 1134 B5R0.5 C[C@H](N)C(=O)O MCULE-4916719758 [0,0,0,0,1,0|1,0,1]=3 1135 B5R0.5 C[C@H](N)C(=O)O MCULE-5261590548 [0,0,0,0,1,0|1,0,1]=3 1136 B5R0.5 C[C@H](N)C(=O)O MCULE-7791919887 [0,0,0,0,1,0|1,0,1]=3 1137 B5R0.5 C[C@H](N)C(=O)O MCULE-8724854497 [0,0,0,0,1,0|1,0,1]=3 1138 B5R0.5 C[C@H](O)C(=O)N MCULE-8400190365 [0,0,0,0,1,0|1,0,2]=4 1139 B5R0.5 C[C@H](O)C(=O)O MCULE-5695391344 [0,0,0,0,1,0|0,0,2]=3 1140 B5R0.5 C[C@H](O)C(=O)O MCULE-8864689875 [0,0,0,0,1,0|0,0,2]=3 1141 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-1034285072 [0,0,0,0,1,0|0,0,3]=4 1142 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-3598405830 [0,0,0,0,1,0|0,0,3]=4 1143 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-7525689298 [0,0,0,0,1,0|0,0,3]=4 1144 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-8057429776 [0,0,0,0,1,0|0,0,3]=4 1145 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-8729310894 [0,0,0,0,1,0|0,0,3]=4 1146 B5R0.5 N=C(N)S(=O)O MCULE-7034022108 [0,0,0,0,1,0|3,0,0]=4 1147 B5R0.5 NC(=O)C(=O)N MCULE-9024594322 [0,0,0,0,1,0|2,0,0]=3 1148 B5R0.5 NC(=O)C(=O)O MCULE-4442165428 [0,0,0,0,1,0|1,0,0]=2 1149 B5R0.5 NC(=O)C(=O)[O-] MCULE-6520154385 [0,0,0,0,1,0|1,0,1]=3 1150 B5R0.5 NC(=O)C(=O)[O-] MCULE-9489956613 [0,0,0,0,1,0|1,0,1]=3 1151 B5R0.5 NC(O)C(=O)O MCULE-6546070388 [0,0,0,0,1,0|1,0,2]=4 1152 B5R0.5 O=C(Br)C(=O)Br MCULE-6502494359 [0,0,0,0,1,0|2,0,0]=3 1153 B5R0.5 O=C(Cl)C(=O)Cl MCULE-7263932124 [0,0,0,0,1,0|2,0,0]=3 1154 B5R0.5 O=C(O)C(=O)O MCULE-2859436444 [0,0,0,0,1,0|1,0,0]=2 1155 B5R0.5 O=C(O)C(=O)O MCULE-3054574273 [0,0,0,0,1,0|1,0,0]=2 1156 B5R0.5 O=C(O)C(=O)O MCULE-4285591204 [0,0,0,0,1,0|1,0,0]=2 1157 B5R0.5 O=C(O)C(=O)O MCULE-4461843798 [0,0,0,0,1,0|1,0,0]=2 1158 B5R0.5 O=C(O)C(=O)O MCULE-6031758101 [0,0,0,0,1,0|1,0,0]=2 1159 B5R0.5 O=C(O)C(=O)O MCULE-6647815245 [0,0,0,0,1,0|1,0,0]=2 1160 B5R0.5 O=C(O)C(=O)O MCULE-7895971003 [0,0,0,0,1,0|1,0,0]=2 1161 B5R0.5 O=C(O)C(=O)O MCULE-8046063377 [0,0,0,0,1,0|1,0,0]=2 1162 B5R0.5 O=C(O)C(=O)O MCULE-8198551041 [0,0,0,0,1,0|1,0,0]=2 1163 B5R0.5 O=C(O)C(=O)O MCULE-8472527874 [0,0,0,0,1,0|1,0,0]=2 1164 B5R0.5 O=C(O)C(=O)O MCULE-9701145416 [0,0,0,0,1,0|1,0,0]=2 1165 B5R0.5 O=C(O)C(Br)Br MCULE-4908900588 [0,0,0,0,1,0|2,0,1]=4 1166 B5R0.5 O=C(O)C(Cl)Br MCULE-4569127340 [0,0,0,0,1,0|2,0,1]=4 1167 B5R0.5 O=C(O)C(Cl)Cl MCULE-1246638159 [0,0,0,0,1,0|2,0,1]=4 1168 B5R0.5 O=C(O)C(F)Br MCULE-5639771935 [0,0,0,0,1,0|2,0,1]=4 1169 B5R0.5 O=C(O)C(F)Cl MCULE-8791727704 [0,0,0,0,1,0|2,0,1]=4 1170 B5R0.5 O=C(O)C(F)F MCULE-9791449975 [0,0,0,0,1,0|2,0,1]=4 1171 B5R0.5 O=C(O)C(F)I MCULE-2596137309 [0,0,0,0,1,0|2,0,1]=4 1172 B5R0.5 O=C(O)C(O)O MCULE-8045135900 [0,0,0,0,1,0|1,0,2]=4 1173 B5R0.5 O=C(O)[C@@H](F)Cl MCULE-9934674808 [0,0,0,0,1,0|2,0,1]=4 1174 B5R0.5 O=C(O)[C@H](F)Cl MCULE-8184552815 [0,0,0,0,1,0|2,0,1]=4 1175 B5R0.5 O=C([O-])C(=O)[O-] MCULE-1850167183 [0,0,0,0,1,0|1,0,1]=3 1176 B5R0.5 O=C([O-])C(=O)[O-] MCULE-2102182772 [0,0,0,0,1,0|1,0,1]=3 1177 B5R0.5 O=C([O-])C(=O)[O-] MCULE-2594600365 [0,0,0,0,1,0|1,0,1]=3 1178 B5R0.5 O=C([O-])C(=O)[O-] MCULE-2876490980 [0,0,0,0,1,0|1,0,1]=3 1179 B5R0.5 O=C([O-])C(=O)[O-] MCULE-4875218588 [0,0,0,0,1,0|1,0,1]=3 1180 B5R0.5 O=C([O-])C(=O)[O-] MCULE-6598296804 [0,0,0,0,1,0|1,0,1]=3 1181 B5R0.5 O=C([O-])C(=O)[O-] MCULE-6729461006 [0,0,0,0,1,0|1,0,1]=3 1182 B5R0.5 O=C([O-])C(=O)[O-] MCULE-7607695802 [0,0,0,0,1,0|1,0,1]=3 1183 B5R0.5 [C@@H](C)(O)C(=O)N MCULE-6953360641 [0,0,0,0,1,0|1,0,2]=4 1184 B7R0.6 C=C(Br)CCC(=O)O MCULE-5257916083 [0,0,0,0,0,1|1,0,1]=3 1185 B7R0.6 C=C(Br)CNC(=O)C MCULE-4123179812 [0,0,0,0,0,1|2,0,0]=3 1186 B7R0.6 C=C(C)CCC(=C)C MCULE-6018302318 [0,0,0,0,0,1|3,0,0]=4 1187 B7R0.6 C=C(C)CCC(=O)C MCULE-4201277876 [0,0,0,0,0,1|2,0,0]=3 1188 B7R0.6 C=C(C)CCC(=O)N MCULE-7602727888 [0,0,0,0,0,1|2,0,0]=3 1189 B7R0.6 C=C(C)CCC(=O)O MCULE-8738532812 [0,0,0,0,0,1|1,0,0]=2 1190 B7R0.6 C=C(C)CCC(C)O MCULE-5005514248 [0,0,0,0,0,1|2,0,1]=4 1191 B7R0.6 C=C(C)CCN(=O)=O MCULE-5685156382 [0,0,0,0,0,1|2,0,1]=4 1192 B7R0.6 C=C(C)CNC(=S)N MCULE-3514300945 [0,0,0,0,0,1|2,1,0]=4 1193 B7R0.6 C=C(C)COC(=O)C MCULE-7739945243 [0,0,0,0,0,1|2,0,0]=3 1194 B7R0.6 C=C(C)NCC(=O)O MCULE-6347105994 [0,0,0,0,0,1|1,0,0]=2 1195 B7R0.6 C=C(Cl)CCC(=O)O MCULE-8617886776 [0,0,0,0,0,1|1,0,1]=3 1196 B7R0.6 C=C(Cl)CSC(=O)C MCULE-4264447992 [0,0,0,0,0,1|2,0,0]=3 1197 B7R0.6 CC(=CCC(=O)O)C MCULE-2552993418 [0,0,0,0,0,1|1,0,0]=2 1198 B7R0.6 CC(=CCC(=O)[O-])C MCULE-6283758684 [0,0,0,0,0,1|1,0,1]=3 1199 B7R0.6 CC(=NNC(=O)N)C MCULE-9452330207 [0,0,0,0,0,1|3,0,0]=4 1200 B7R0.6 CC(=O)/C=C/C(=O)O MCULE-8768861026 [0,0,0,0,0,1|0,0,1]=2 1201 B7R0.6 CC(=O)C=CC(=O)C MCULE-9472466140 [0,0,0,0,0,1|1,0,1]=3 1202 B7R0.6 CC(=O)C=CC(=O)Cl MCULE-8865772819 [0,0,0,0,0,1|1,0,1]=3 1203 B7R0.6 CC(=O)C=CC(=O)O MCULE-6867353277 [0,0,0,0,0,1|0,0,1]=2 1204 B7R0.6 CC(=O)CCC(=O)C MCULE-3166810473 [0,0,0,0,0,1|1,0,0]=2 1205 B7R0.6 CC(=O)CCC(=O)N MCULE-8943258659 [0,0,0,0,0,1|1,0,0]=2 1206 B7R0.6 CC(=O)CCC(=O)O MCULE-1392778065 [0,0,0,0,0,1|0,0,0]=1 1207 B7R0.6 CC(=O)CCC(=O)[O-] MCULE-4975344808 [0,0,0,0,0,1|0,0,1]=2 1208 B7R0.6 CC(=O)CCC(C)C MCULE-8518693213 [0,0,0,0,0,1|2,0,1]=4 1209 B7R0.6 CC(=O)CCC(F)F MCULE-3009814756 [0,0,0,0,0,1|2,0,1]=4 1210 B7R0.6 CC(=O)CCN(=O)=O MCULE-4726243654 [0,0,0,0,0,1|1,0,1]=3 1211 B7R0.6 CC(=O)CCN(C)C MCULE-1601022082 [0,0,0,0,0,1|3,0,0]=4 1212 B7R0.6 CC(=O)CCN(C)C MCULE-2933383790 [0,0,0,0,0,1|3,0,0]=4 1213 B7R0.6 CC(=O)CNC(=O)C MCULE-7941086302 [0,0,0,0,0,1|1,0,0]=2 1214 B7R0.6 CC(=O)CNC(=O)Cl MCULE-2043888982 [0,0,0,0,0,1|1,0,0]=2 1215 B7R0.6 CC(=O)CNC(C)C MCULE-2033555652 [0,0,0,0,0,1|2,0,1]=4 1216 B7R0.6 CC(=O)CNC(C)C MCULE-2990661777 [0,0,0,0,0,1|2,0,1]=4 1217 B7R0.6 CC(=O)COC(=O)C MCULE-2994552521 [0,0,0,0,0,1|1,0,0]=2 1218 B7R0.6 CC(=O)COC(C)C MCULE-4426769810 [0,0,0,0,0,1|2,0,1]=4 1219 B7R0.6 CC(=O)CSC(C)C MCULE-6486341454 [0,0,0,0,0,1|2,0,1]=4 1220 B7R0.6 CC(=O)NC=C(Cl)Cl MCULE-8744236684 [0,0,0,0,0,1|2,0,1]=4 1221 B7R0.6 CC(=O)NCC(=O)Cl MCULE-3900899057 [0,0,0,0,0,1|1,0,0]=2 1222 B7R0.6 CC(=O)NCC(=O)N MCULE-7934502236 [0,0,0,0,0,1|1,0,0]=2 1223 B7R0.6 CC(=O)NCC(=O)O MCULE-5811325186 [0,0,0,0,0,1|0,0,0]=1 1224 B7R0.6 CC(=O)NCC(C)O MCULE-2406798273 [0,0,0,0,0,1|1,0,1]=3 1225 B7R0.6 CC(=O)NN=C(C)C MCULE-9759901228 [0,0,0,0,0,1|3,0,0]=4 1226 B7R0.6 CC(=O)NNC(=O)C MCULE-3292268906 [0,0,0,0,0,1|2,0,0]=3 1227 B7R0.6 CC(=O)NNC(=S)N MCULE-4923078693 [0,0,0,0,0,1|2,1,0]=4 1228 B7R0.6 CC(=O)OCC(=O)Cl MCULE-3086938222 [0,0,0,0,0,1|1,0,0]=2 1229 B7R0.6 CC(=O)OCC(=O)O MCULE-6837320824 [0,0,0,0,0,1|0,0,0]=1 1230 B7R0.6 CC(=O)OCC(=S)N MCULE-7893306089 [0,0,0,0,0,1|1,1,0]=3 1231 B7R0.6 CC(=O)OCC(C)C MCULE-4530584087 [0,0,0,0,0,1|2,0,1]=4 1232 B7R0.6 CC(=O)OCC(C)O MCULE-3660209140 [0,0,0,0,0,1|1,0,1]=3 1233 B7R0.6 CC(=O)OCC(F)F MCULE-9491615455 [0,0,0,0,0,1|2,0,1]=4 1234 B7R0.6 CC(=O)ON=C(C)C MCULE-4373487613 [0,0,0,0,0,1|3,0,0]=4 1235 B7R0.6 CC(=O)SCC(=O)O MCULE-1974657694 [0,0,0,0,0,1|0,0,0]=1 1236 B7R0.6 CC(=S)NCC(=O)O MCULE-9052571833 [0,0,0,0,0,1|0,1,0]=2 1237 B7R0.6 CC(C)/C=C/C(=O)O MCULE-1713089516 [0,0,0,0,0,1|1,0,2]=4 1238 B7R0.6 CC(C)C#CC(=O)O MCULE-6919480170 [0,0,0,0,0,1|1,0,2]=4 1239 B7R0.6 CC(C)C=CC(=O)O MCULE-3981825295 [0,0,0,0,0,1|1,0,2]=4 1240 B7R0.6 CC(C)CCC(=O)Cl MCULE-6874903195 [0,0,0,0,0,1|2,0,1]=4 1241 B7R0.6 CC(C)CCC(=O)N MCULE-3571818514 [0,0,0,0,0,1|2,0,1]=4 1242 B7R0.6 CC(C)CCC(=O)O MCULE-7691755837 [0,0,0,0,0,1|1,0,1]=3 1243 B7R0.6 CC(C)CNC(=O)N MCULE-8112905719 [0,0,0,0,0,1|2,0,1]=4 1244 B7R0.6 CC(C)COC(=O)Cl MCULE-4183178448 [0,0,0,0,0,1|2,0,1]=4 1245 B7R0.6 CC(C)COC(=O)N MCULE-3163620577 [0,0,0,0,0,1|2,0,1]=4 1246 B7R0.6 CC(C)NCC(=O)Cl MCULE-3841055671 [0,0,0,0,0,1|2,0,1]=4 1247 B7R0.6 CC(C)NCC(=O)N MCULE-3100213662 [0,0,0,0,0,1|2,0,1]=4 1248 B7R0.6 CC(C)NCC(=O)N MCULE-9178070179 [0,0,0,0,0,1|2,0,1]=4 1249 B7R0.6 CC(C)NCC(=O)O MCULE-4344882030 [0,0,0,0,0,1|1,0,1]=3 1250 B7R0.6 CC(C)NCC(=O)O MCULE-7052227156 [0,0,0,0,0,1|1,0,1]=3 1251 B7R0.6 CC(C)OCC(=O)Cl MCULE-5892054766 [0,0,0,0,0,1|2,0,1]=4 1252 B7R0.6 CC(C)OCC(=O)O MCULE-8295905061 [0,0,0,0,0,1|1,0,1]=3 1253 B7R0.6 CC(C)SCC(=O)O MCULE-3990750464 [0,0,0,0,0,1|1,0,1]=3 1254 B7R0.6 CC(Cl)CCC(=O)Cl MCULE-3066199297 [0,0,0,0,0,1|2,0,1]=4 1255 B7R0.6 CC(N)CCC(=O)O MCULE-3711689460 [0,0,0,0,0,1|1,0,1]=3 1256 B7R0.6 CC(N)CCC(=O)O MCULE-5008572656 [0,0,0,0,0,1|1,0,1]=3 1257 B7R0.6 CC(O)CCC(=O)O MCULE-6352217997 [0,0,0,0,0,1|0,0,2]=3 1258 B7R0.6 CC(O)CCC(=O)[O-] MCULE-5872581098 [0,0,0,0,0,1|0,0,3]=4 1259 B7R0.6 CC(S)CCC(=O)O MCULE-9612173883 [0,0,0,0,0,1|0,1,1]=3 1260 B7R0.6 CN(C)CCC(=O)O MCULE-5553815845 [0,0,0,0,0,1|2,0,0]=3 1261 B7R0.6 CN(C)CCC(=O)O MCULE-7454823322 [0,0,0,0,0,1|2,0,0]=3 1262 B7R0.6 CS(=O)CCC(=O)O MCULE-8243349779 [0,0,0,0,0,1|1,0,0]=2 1263 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-3295260637 [0,0,0,0,0,1|1,0,1]=3 1264 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-5409083898 [0,0,0,0,0,1|1,0,1]=3 1265 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-6530230723 [0,0,0,0,0,1|1,0,1]=3 1266 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-7530095699 [0,0,0,0,0,1|1,0,1]=3 1267 B7R0.6 C[C@@H](O)COC(=O)O MCULE-3794886346 [0,0,0,0,0,1|0,0,2]=3 1268 B7R0.6 C[C@H](N)CCC(=O)O MCULE-3621527632 [0,0,0,0,0,1|1,0,1]=3 1269 B7R0.6 C[C@H](N)CCC(=O)O MCULE-7670557122 [0,0,0,0,0,1|1,0,1]=3 1270 B7R0.6 C[S+](C)CCC(=O)O MCULE-8115187503 [0,0,0,0,0,1|2,0,0]=3 1271 B7R0.6 C[S+](C)CCC(=O)O MCULE-9668037011 [0,0,0,0,0,1|2,0,0]=3 1272 B7R0.6 C[S+](C)CCC(=O)[O-] MCULE-4039981521 [0,0,0,0,0,1|2,0,1]=4 1273 B7R0.6 N=C(N)NCC(=O)O MCULE-8180759180 [0,0,0,0,0,1|2,0,0]=3 1274 B7R0.6 N=C(N)NCC(=O)O MCULE-8327589872 [0,0,0,0,0,1|2,0,0]=3 1275 B7R0.6 N=C(N)SCC(=O)N MCULE-5295318661 [0,0,0,0,0,1|3,0,0]=4 1276 B7R0.6 N=C(N)SCC(=O)N MCULE-9179434239 [0,0,0,0,0,1|3,0,0]=4 1277 B7R0.6 N=C(N)SCC(=O)O MCULE-2089510220 [0,0,0,0,0,1|2,0,0]=3 1278 B7R0.6 N=C(N)SCC(=O)O MCULE-3427937751 [0,0,0,0,0,1|2,0,0]=3 1279 B7R0.6 NC(=O)/C=C/C(=O)N MCULE-4395066945 [0,0,0,0,0,1|2,0,1]=4 1280 B7R0.6 NC(=O)/C=C/C(=O)O MCULE-4042951919 [0,0,0,0,0,1|1,0,1]=3 1281 B7R0.6 NC(=O)/C=C\C(=O)O MCULE-9066996879 [0,0,0,0,0,1|1,0,1]=3 1282 B7R0.6 NC(=O)/N=N/C(=O)N MCULE-4339161906 [0,0,0,0,0,1|3,0,0]=4 1283 B7R0.6 NC(=O)C#CC(=O)N MCULE-4585775503 [0,0,0,0,0,1|2,0,1]=4 1284 B7R0.6 NC(=O)C=CC(=O)N MCULE-6392282813 [0,0,0,0,0,1|2,0,1]=4 1285 B7R0.6 NC(=O)C=CC(=O)O MCULE-2401877342 [0,0,0,0,0,1|1,0,1]=3 1286 B7R0.6 NC(=O)CCC(=O)N MCULE-2107382817 [0,0,0,0,0,1|2,0,0]=3 1287 B7R0.6 NC(=O)CCC(=O)O MCULE-5813999826 [0,0,0,0,0,1|1,0,0]=2 1288 B7R0.6 NC(=O)CNC(=S)N MCULE-6504333241 [0,0,0,0,0,1|2,1,0]=4 1289 B7R0.6 NC(=O)N=NC(=O)N MCULE-2129487615 [0,0,0,0,0,1|3,0,0]=4 1290 B7R0.6 NC(=O)NCC(=O)O MCULE-7640310218 [0,0,0,0,0,1|1,0,0]=2 1291 B7R0.6 NC(=O)NNC(=O)N MCULE-1306740070 [0,0,0,0,0,1|3,0,0]=4 1292 B7R0.6 NC(=O)SCC(=O)O MCULE-2409074226 [0,0,0,0,0,1|1,0,0]=2 1293 B7R0.6 NC(=S)NCC(=O)O MCULE-7421473219 [0,0,0,0,0,1|1,1,0]=3 1294 B7R0.6 O=C(Cl)/C=C/C(=O)Cl MCULE-6214609191 [0,0,0,0,0,1|2,0,1]=4 1295 B7R0.6 O=C(Cl)C=CC(=O)Cl MCULE-7022763562 [0,0,0,0,0,1|2,0,1]=4 1296 B7R0.6 O=C(Cl)CCC(=O)Cl MCULE-6220065982 [0,0,0,0,0,1|2,0,0]=3 1297 B7R0.6 O=C(O)/C=C/C(=O)O MCULE-3549142744 [0,0,0,0,0,1|1,0,1]=3 1298 B7R0.6 O=C(O)/C=C/C(=O)O MCULE-5263906793 [0,0,0,0,0,1|1,0,1]=3 1299 B7R0.6 O=C(O)/C=C\C(=O)O MCULE-1113222985 [0,0,0,0,0,1|1,0,1]=3 1300 B7R0.6 O=C(O)C#CC(=O)O MCULE-3952041688 [0,0,0,0,0,1|1,0,1]=3 1301 B7R0.6 O=C(O)C=CC(=O)O MCULE-5329407890 [0,0,0,0,0,1|1,0,1]=3 1302 B7R0.6 O=C(O)C=CC(=O)O MCULE-7492596773 [0,0,0,0,0,1|1,0,1]=3 1303 B7R0.6 O=C(O)C=CC(=O)O MCULE-8076793268 [0,0,0,0,0,1|1,0,1]=3 1304 B7R0.6 O=C(O)C=CC(=O)O MCULE-9488315563 [0,0,0,0,0,1|1,0,1]=3 1305 B7R0.6 O=C(O)C=CC(=O)O MCULE-9920754312 [0,0,0,0,0,1|1,0,1]=3 1306 B7R0.6 O=C(O)CCB(O)O MCULE-9351023222 [0,0,0,0,0,1|2,0,1]=4 1307 B7R0.6 O=C(O)CCC(=O)O MCULE-1233211613 [0,0,0,0,0,1|1,0,0]=2 1308 B7R0.6 O=C(O)CCC(=O)O MCULE-5889111640 [0,0,0,0,0,1|1,0,0]=2 1309 B7R0.6 O=C(O)CCC(F)F MCULE-6002651269 [0,0,0,0,0,1|2,0,1]=4 1310 B7R0.6 O=C(O)CCN(=O)=O MCULE-1879231817 [0,0,0,0,0,1|2,0,0]=3 1311 B7R0.6 O=C(O)COC(F)F MCULE-1418551422 [0,0,0,0,0,1|2,0,1]=4 1312 B7R0.6 O=C(O)CSC(F)F MCULE-6609650116 [0,0,0,0,0,1|2,0,1]=4 1313 B7R0.6 O=C(O)N=NC(=O)O MCULE-6858626658 [0,0,0,0,0,1|2,0,0]=3 1314 B7R0.6 O=C([O-])/C=C/C(=O)[O-] MCULE-2177227992 [0,0,0,0,0,1|1,0,2]=4 1315 B7R0.6 O=C([O-])C#CC(=O)O MCULE-8275918466 [0,0,0,0,0,1|1,0,1]=3 1316 B7R0.6 O=C([O-])C#CC(=O)[O-] MCULE-8160569506 [0,0,0,0,0,1|1,0,2]=4 1317 B7R0.6 O=C([O-])C=CC(=O)[O-] MCULE-1618249570 [0,0,0,0,0,1|1,0,2]=4 1318 B7R0.6 O=C([O-])CCC(=O)O MCULE-9149947862 [0,0,0,0,0,1|1,0,0]=2 1319 B7R0.6 O=C([O-])CCC(=O)[O-] MCULE-6304944077 [0,0,0,0,0,1|1,0,1]=3 1320 B7R0.6 O=C([O-])N=NC(=O)[O-] MCULE-3382785265 [0,0,0,0,0,1|2,0,1]=4 1321 B4R0.1 C#CC(=O)C MCULE-1296030711 [2,0,0,0,0,0|0,0,2]=4 1322 B4R0.1 C#CC(=O)O MCULE-8764256624 [2,0,0,0,0,0|0,0,2]=4 1323 B4R0.1 C(C)(N)CO MCULE-5844242932 [2,0,0,0,0,0|1,0,1]=4 1324 B4R0.1 C/C(=N/O)/N MCULE-5595239824 [2,0,0,0,0,0|2,0,0]=4 1325 B4R0.1 C/C(=N\O)/N MCULE-8004142092 [2,0,0,0,0,0|2,0,0]=4 1326 B4R0.1 C/C=C(/C)\Cl MCULE-6841426098 [2,0,0,0,0,0|2,0,0]=4 1327 B4R0.1 C/C=C(\C)/Br MCULE-3045523462 [2,0,0,0,0,0|2,0,0]=4 1328 B4R0.1 C/C=C(\C)/Cl MCULE-4683862502 [2,0,0,0,0,0|2,0,0]=4 1329 B4R0.1 C=C(Br)C=O MCULE-9500973388 [2,0,0,0,0,0|1,0,1]=4 1330 B4R0.1 C=C(Br)CC MCULE-6271946451 [2,0,0,0,0,0|2,0,0]=4 1331 B4R0.1 C=C(Br)CO MCULE-7763893047 [2,0,0,0,0,0|1,0,1]=4 1332 B4R0.1 C=C(C)C=O MCULE-3758355501 [2,0,0,0,0,0|1,0,0]=3 1333 B4R0.1 C=C(C)CBr MCULE-1361893863 [2,0,0,0,0,0|2,0,0]=4 1334 B4R0.1 C=C(C)CCl MCULE-5586406339 [2,0,0,0,0,0|2,0,0]=4 1335 B4R0.1 C=C(C)CI MCULE-3678124406 [2,0,0,0,0,0|2,0,0]=4 1336 B4R0.1 C=C(C)CN MCULE-1033495975 [2,0,0,0,0,0|2,0,0]=4 1337 B4R0.1 C=C(C)CN MCULE-8730181300 [2,0,0,0,0,0|2,0,0]=4 1338 B4R0.1 C=C(C)CO MCULE-8641288398 [2,0,0,0,0,0|1,0,0]=3 1339 B4R0.1 C=C(C)CS MCULE-5174170431 [2,0,0,0,0,0|1,1,0]=4 1340 B4R0.1 C=C(Cl)CO MCULE-8813337564 [2,0,0,0,0,0|1,0,1]=4 1341 B4R0.1 C=C(F)CO MCULE-2779963696 [2,0,0,0,0,0|1,0,1]=4 1342 B4R0.1 C=C(I)CO MCULE-2533897125 [2,0,0,0,0,0|1,0,1]=4 1343 B4R0.1 C=C=C(C)C MCULE-8705186354 [2,0,0,0,0,0|1,0,1]=4 1344 B4R0.1 C=CC(=C)C MCULE-1668999564 [2,0,0,0,0,0|1,0,1]=4 1345 B4R0.1 C=CC(=O)C MCULE-4924646293 [2,0,0,0,0,0|0,0,1]=3 1346 B4R0.1 C=CC(=O)Cl MCULE-3579233798 [2,0,0,0,0,0|1,0,1]=4 1347 B4R0.1 C=CC(=O)N MCULE-4309430654 [2,0,0,0,0,0|1,0,1]=4 1348 B4R0.1 C=CC(=O)O MCULE-9352227082 [2,0,0,0,0,0|0,0,1]=3 1349 B4R0.1 C=CC(=O)[O-] MCULE-3928960314 [2,0,0,0,0,0|0,0,2]=4 1350 B4R0.1 C=CC(=O)[O-] MCULE-4331301308 [2,0,0,0,0,0|0,0,2]=4 1351 B4R0.1 C=CC(=O)[O-] MCULE-5516854555 [2,0,0,0,0,0|0,0,2]=4 1352 B4R0.1 CC(=CBr)C MCULE-9508381610 [2,0,0,0,0,0|2,0,0]=4 1353 B4R0.1 CC(=CCl)C MCULE-4321554138 [2,0,0,0,0,0|2,0,0]=4 1354 B4R0.1 CC(=CCl)Cl MCULE-3528888685 [2,0,0,0,0,0|2,0,0]=4 1355 B4R0.1 CC(=NO)C MCULE-3243100216 [2,0,0,0,0,0|2,0,0]=4 1356 B4R0.1 CC(=O)C#N MCULE-6317771757 [2,0,0,0,0,0|1,0,1]=4 1357 B4R0.1 CC(=O)C=O MCULE-2718961814 [2,0,0,0,0,0|0,0,0]=2 1358 B4R0.1 CC(=O)CBr MCULE-7812920675 [2,0,0,0,0,0|1,0,0]=3 1359 B4R0.1 CC(=O)CCl MCULE-2501365933 [2,0,0,0,0,0|1,0,0]=3 1360 B4R0.1 CC(=O)CF MCULE-7417279999 [2,0,0,0,0,0|1,0,0]=3 1361 B4R0.1 CC(=O)CN MCULE-2715277783 [2,0,0,0,0,0|1,0,0]=3 1362 B4R0.1 CC(=O)CN MCULE-6004541862 [2,0,0,0,0,0|1,0,0]=3 1363 B4R0.1 CC(=O)CO MCULE-2989526028 [2,0,0,0,0,0|0,0,0]=2 1364 B4R0.1 CC(=O)CS MCULE-9736174016 [2,0,0,0,0,0|0,1,0]=3 1365 B4R0.1 CC(=O)NBr MCULE-6502070876 [2,0,0,0,0,0|2,0,0]=4 1366 B4R0.1 CC(=O)NN MCULE-9183467120 [2,0,0,0,0,0|2,0,0]=4 1367 B4R0.1 CC(=O)NO MCULE-2682231025 [2,0,0,0,0,0|1,0,0]=3 1368 B4R0.1 CC(=O)OO MCULE-6028338742 [2,0,0,0,0,0|1,0,0]=3 1369 B4R0.1 CC(Br)C=O MCULE-6060704330 [2,0,0,0,0,0|1,0,1]=4 1370 B4R0.1 CC(Br)CO MCULE-8344365003 [2,0,0,0,0,0|1,0,1]=4 1371 B4R0.1 CC(C)C=O MCULE-3575731904 [2,0,0,0,0,0|1,0,1]=4 1372 B4R0.1 CC(C)CO MCULE-6294327194 [2,0,0,0,0,0|1,0,1]=4 1373 B4R0.1 CC(Cl)CO MCULE-3857255988 [2,0,0,0,0,0|1,0,1]=4 1374 B4R0.1 CC(Cl)CO MCULE-7538548427 [2,0,0,0,0,0|1,0,1]=4 1375 B4R0.1 CC(F)CO MCULE-6006763378 [2,0,0,0,0,0|1,0,1]=4 1376 B4R0.1 CC(N)C=O MCULE-3421118418 [2,0,0,0,0,0|1,0,1]=4 1377 B4R0.1 CC(N)CO MCULE-1361379423 [2,0,0,0,0,0|1,0,1]=4 1378 B4R0.1 CC(N)CO MCULE-2098440985 [2,0,0,0,0,0|1,0,1]=4 1379 B4R0.1 CC(O)CO MCULE-5574440784 [2,0,0,0,0,0|0,0,2]=4 1380 B4R0.1 CC(O)CO MCULE-8743139013 [2,0,0,0,0,0|0,0,2]=4 1381 B4R0.1 CC(S)CO MCULE-5090908062 [2,0,0,0,0,0|0,1,1]=4 1382 B4R0.1 CC=C(C)Br MCULE-1371905211 [2,0,0,0,0,0|2,0,0]=4 1383 B4R0.1 CC=C(C)C MCULE-4230157245 [2,0,0,0,0,0|2,0,0]=4 1384 B4R0.1 CC=C(C)Cl MCULE-3844314543 [2,0,0,0,0,0|2,0,0]=4 1385 B4R0.1 CC=C(Cl)Cl MCULE-3741261135 [2,0,0,0,0,0|2,0,0]=4 1386 B4R0.1 CC=C(F)F MCULE-5544510852 [2,0,0,0,0,0|2,0,0]=4 1387 B4R0.1 CCB(O)O MCULE-1650960999 [2,0,0,0,0,0|1,0,1]=4 1388 B4R0.1 CCC(=N)N MCULE-1856575742 [2,0,0,0,0,0|2,0,0]=4 1389 B4R0.1 CCC(=N)N MCULE-2534386807 [2,0,0,0,0,0|2,0,0]=4 1390 B4R0.1 CCC(=O)Br MCULE-7870678619 [2,0,0,0,0,0|1,0,0]=3 1391 B4R0.1 CCC(=O)C MCULE-8276670748 [2,0,0,0,0,0|0,0,1]=3 1392 B4R0.1 CCC(=O)Cl MCULE-3081874391 [2,0,0,0,0,0|1,0,0]=3 1393 B4R0.1 CCC(=O)F MCULE-8783887670 [2,0,0,0,0,0|1,0,0]=3 1394 B4R0.1 CCC(=O)N MCULE-3730796130 [2,0,0,0,0,0|1,0,0]=3 1395 B4R0.1 CCC(=O)O MCULE-2199051150 [2,0,0,0,0,0|0,0,0]=2 1396 B4R0.1 CCC(=O)O MCULE-9800054040 [2,0,0,0,0,0|0,0,0]=2 1397 B4R0.1 CCC(=O)S MCULE-3392119766 [2,0,0,0,0,0|0,1,0]=3 1398 B4R0.1 CCC(=O)[O-] MCULE-6321502767 [2,0,0,0,0,0|0,0,1]=3 1399 B4R0.1 CCC(=S)N MCULE-3921479699 [2,0,0,0,0,0|1,1,0]=4 1400 B4R0.1 CCC(C)O MCULE-4099350806 [2,0,0,0,0,0|1,0,1]=4 1401 B4R0.1 CCC(C)O MCULE-5005120003 [2,0,0,0,0,0|1,0,1]=4 1402 B4R0.1 CCN(=O)=O MCULE-6603591614 [2,0,0,0,0,0|1,0,1]=4 1403 B4R0.1 CCS(=O)C MCULE-4400935745 [2,0,0,0,0,0|1,0,1]=4 1404 B4R0.1 CCS(=O)O MCULE-9872932319 [2,0,0,0,0,0|1,0,0]=3 1405 B4R0.1 CCS(=O)[O-] MCULE-4386198822 [2,0,0,0,0,0|1,0,1]=4 1406 B4R0.1 CC[C@@H](C)O MCULE-2661481448 [2,0,0,0,0,0|1,0,1]=4 1407 B4R0.1 CC[C@@H](C)O MCULE-6785232833 [2,0,0,0,0,0|1,0,1]=4 1408 B4R0.1 CC[C@H](C)O MCULE-3700911573 [2,0,0,0,0,0|1,0,1]=4 1409 B4R0.1 CC[C@H](C)O MCULE-6063716138 [2,0,0,0,0,0|1,0,1]=4 1410 B4R0.1 CN(C)C=O MCULE-6290117712 [2,0,0,0,0,0|2,0,0]=4 1411 B4R0.1 CN(N)C=O MCULE-6353057165 [2,0,0,0,0,0|2,0,0]=4 1412 B4R0.1 CNC(=O)C MCULE-2612997941 [2,0,0,0,0,0|1,0,1]=4 1413 B4R0.1 CNC(=O)Cl MCULE-7743744606 [2,0,0,0,0,0|2,0,0]=4 1414 B4R0.1 CNC(=O)N MCULE-6422331704 [2,0,0,0,0,0|2,0,0]=4 1415 B4R0.1 COC(=O)C MCULE-7368066093 [2,0,0,0,0,0|1,0,1]=4 1416 B4R0.1 COC(=O)Cl MCULE-8022274771 [2,0,0,0,0,0|2,0,0]=4 1417 B4R0.1 COC(=O)N MCULE-4070607369 [2,0,0,0,0,0|2,0,0]=4 1418 B4R0.1 CSC(=O)C MCULE-7061634598 [2,0,0,0,0,0|1,0,1]=4 1419 B4R0.1 C[C@@H](Cl)CO MCULE-4834664531 [2,0,0,0,0,0|1,0,1]=4 1420 B4R0.1 C[C@@H](Cl)CO MCULE-8797955903 [2,0,0,0,0,0|1,0,1]=4 1421 B4R0.1 C[C@@H](F)CO MCULE-3312305972 [2,0,0,0,0,0|1,0,1]=4 1422 B4R0.1 C[C@@H](F)CO MCULE-4754825872 [2,0,0,0,0,0|1,0,1]=4 1423 B4R0.1 C[C@@H](N)CO MCULE-5655560645 [2,0,0,0,0,0|1,0,1]=4 1424 B4R0.1 C[C@@H](N)CO MCULE-8066658004 [2,0,0,0,0,0|1,0,1]=4 1425 B4R0.1 C[C@@H](O)C=O MCULE-5921136435 [2,0,0,0,0,0|0,0,2]=4 1426 B4R0.1 C[C@@H](O)CO MCULE-4464598400 [2,0,0,0,0,0|0,0,2]=4 1427 B4R0.1 C[C@@H](O)CO MCULE-9914833832 [2,0,0,0,0,0|0,0,2]=4 1428 B4R0.1 C[C@H](Cl)CO MCULE-6747279587 [2,0,0,0,0,0|1,0,1]=4 1429 B4R0.1 C[C@H](Cl)CO MCULE-8509218918 [2,0,0,0,0,0|1,0,1]=4 1430 B4R0.1 C[C@H](F)CO MCULE-1024261541 [2,0,0,0,0,0|1,0,1]=4 1431 B4R0.1 C[C@H](F)CO MCULE-7028098137 [2,0,0,0,0,0|1,0,1]=4 1432 B4R0.1 C[C@H](N)CO MCULE-2471107013 [2,0,0,0,0,0|1,0,1]=4 1433 B4R0.1 C[C@H](N)CO MCULE-5424195678 [2,0,0,0,0,0|1,0,1]=4 1434 B4R0.1 C[C@H](O)CO MCULE-6582852191 [2,0,0,0,0,0|0,0,2]=4 1435 B4R0.1 C[C@H](O)CO MCULE-8074793296 [2,0,0,0,0,0|0,0,2]=4 1436 B4R0.1 N=C(N)CO MCULE-5146395919 [2,0,0,0,0,0|2,0,0]=4 1437 B4R0.1 N=C(N)CO MCULE-8814507460 [2,0,0,0,0,0|2,0,0]=4 1438 B4R0.1 NC(=O)CBr MCULE-9306090536 [2,0,0,0,0,0|2,0,0]=4 1439 B4R0.1 NC(=O)CCl MCULE-3241549842 [2,0,0,0,0,0|2,0,0]=4 1440 B4R0.1 NC(=O)CF MCULE-3344212657 [2,0,0,0,0,0|2,0,0]=4 1441 B4R0.1 NC(=O)CI MCULE-4217973413 [2,0,0,0,0,0|2,0,0]=4 1442 B4R0.1 NC(=O)CO MCULE-2739878376 [2,0,0,0,0,0|1,0,0]=3 1443 B4R0.1 NC(=O)CS MCULE-2639305532 [2,0,0,0,0,0|1,1,0]=4 1444 B4R0.1 NC(=O)NO MCULE-9465284053 [2,0,0,0,0,0|2,0,0]=4 1445 B4R0.1 NC(=S)CO MCULE-9301705313 [2,0,0,0,0,0|1,1,0]=4 1446 B4R0.1 NCC(=O)N MCULE-1048848056 [2,0,0,0,0,0|2,0,0]=4 1447 B4R0.1 NCC(=O)N MCULE-2174395809 [2,0,0,0,0,0|2,0,0]=4 1448 B4R0.1 NCC(=O)N MCULE-6113166250 [2,0,0,0,0,0|2,0,0]=4 1449 B4R0.1 NCC(=O)O MCULE-2415764032 [2,0,0,0,0,0|1,0,0]=3 1450 B4R0.1 NCC(=O)O MCULE-3643110755 [2,0,0,0,0,0|1,0,0]=3 1451 B4R0.1 NCC(=O)O MCULE-4349255299 [2,0,0,0,0,0|1,0,0]=3 1452 B4R0.1 NCC(=O)O MCULE-9146223615 [2,0,0,0,0,0|1,0,0]=3 1453 B4R0.1 NCC(=O)O MCULE-9701991737 [2,0,0,0,0,0|1,0,0]=3 1454 B4R0.1 NCC(=O)S MCULE-9837799864 [2,0,0,0,0,0|1,1,0]=4 1455 B4R0.1 NCC(=O)[O-] MCULE-5975202378 [2,0,0,0,0,0|1,0,1]=4 1456 B4R0.1 O=C(Br)CBr MCULE-6031858200 [2,0,0,0,0,0|2,0,0]=4 1457 B4R0.1 O=C(Cl)CBr MCULE-7684029984 [2,0,0,0,0,0|2,0,0]=4 1458 B4R0.1 O=C(Cl)CCl MCULE-7076914635 [2,0,0,0,0,0|2,0,0]=4 1459 B4R0.1 O=C(Cl)CF MCULE-7182087882 [2,0,0,0,0,0|2,0,0]=4 1460 B4R0.1 O=C(Cl)CI MCULE-5719121455 [2,0,0,0,0,0|2,0,0]=4 1461 B4R0.1 O=C(O)CBr MCULE-1503716137 [2,0,0,0,0,0|1,0,0]=3 1462 B4R0.1 O=C(O)CCl MCULE-9228754880 [2,0,0,0,0,0|1,0,0]=3 1463 B4R0.1 O=C(O)CF MCULE-6584094437 [2,0,0,0,0,0|1,0,0]=3 1464 B4R0.1 O=C(O)CI MCULE-3146792857 [2,0,0,0,0,0|1,0,0]=3 1465 B4R0.1 O=C(O)CO MCULE-9792551388 [2,0,0,0,0,0|0,0,1]=3 1466 B4R0.1 O=C(O)CS MCULE-8097997001 [2,0,0,0,0,0|0,1,0]=3 1467 B4R0.1 O=C([O-])CF MCULE-8428965857 [2,0,0,0,0,0|1,0,1]=4 1468 B4R0.1 O=C([O-])CO MCULE-2780567509 [2,0,0,0,0,0|1,0,0]=3 1469 B4R0.1 O=C([O-])CS MCULE-3314809220 [2,0,0,0,0,0|0,1,1]=4 1470 B4R0.1 O=C([O-])CS MCULE-5989133747 [2,0,0,0,0,0|0,1,1]=4 1471 B4R0.1 O=CC(=O)O MCULE-5307898766 [2,0,0,0,0,0|0,0,0]=2 1472 B4R0.1 O=S(O)CO MCULE-4195832185 [2,0,0,0,0,0|1,0,1]=4 1473 B4R0.1 O=S([O-])CO MCULE-5211722344 [2,0,0,0,0,0|2,0,0]=4 1474 B4R0.1 P(=O)(O)CN MCULE-5441171864 [2,0,0,0,0,0|2,0,0]=4 1475 B4R0.2 C/C=C/C=O MCULE-9924705308 [2,0,0,0,0,0|0,0,1]=3 1476 B4R0.2 C/C=C/CO MCULE-2383161163 [2,0,0,0,0,0|0,0,2]=4 1477 B4R0.2 C/C=C\CO MCULE-5924662327 [2,0,0,0,0,0|0,0,2]=4 1478 B4R0.2 C=CC=CC MCULE-4452516287 [2,0,0,0,0,0|1,0,1]=4 1479 B4R0.2 C=CCCC MCULE-8386546337 [2,0,0,0,0,0|1,0,1]=4 1480 B4R0.2 C=CCCO MCULE-4582400839 [2,0,0,0,0,0|0,0,2]=4 1481 B4R0.2 C=CCNC MCULE-3335720336 [2,0,0,0,0,0|2,0,0]=4 1482 B4R0.2 C=CCOC MCULE-3321225771 [2,0,0,0,0,0|2,0,0]=4 1483 B4R0.2 C=CCSC MCULE-4452023915 [2,0,0,0,0,0|2,0,0]=4 1484 B4R0.2 C=CNC=O MCULE-8403928899 [2,0,0,0,0,0|1,0,1]=4 1485 B4R0.2 CC#CC=O MCULE-9270622693 [2,0,0,0,0,0|0,0,2]=4 1486 B4R0.2 CC=CC=O MCULE-2497362981 [2,0,0,0,0,0|0,0,1]=3 1487 B4R0.2 CC=CCO MCULE-7490725844 [2,0,0,0,0,0|0,0,2]=4 1488 B4R0.2 CCCC=O MCULE-8530391347 [2,0,0,0,0,0|0,0,1]=3 1489 B4R0.2 CCCCO MCULE-1571156443 [2,0,0,0,0,0|0,0,2]=4 1490 B4R0.2 CCNC=O MCULE-9309926274 [2,0,0,0,0,0|1,0,1]=4 1491 B4R0.2 CCOC=O MCULE-6245072161 [2,0,0,0,0,0|1,0,1]=4 1492 B4R0.2 CNCCO MCULE-7051900771 [2,0,0,0,0,0|1,0,1]=4 1493 B4R0.2 CNCCO MCULE-7934732981 [2,0,0,0,0,0|1,0,1]=4 1494 B4R0.2 COCC=O MCULE-9427361019 [2,0,0,0,0,0|1,0,0]=3 1495 B4R0.2 COCCO MCULE-4751927883 [2,0,0,0,0,0|1,0,1]=4 1496 B4R0.2 CSCCO MCULE-9706874325 [2,0,0,0,0,0|1,0,1]=4 1497 B4R0.2 N/C=C/C=O MCULE-2444951625 [2,0,0,0,0,0|1,0,1]=4 1498 B4R0.2 NC=CC=O MCULE-4070918342 [2,0,0,0,0,0|1,0,1]=4 1499 B4R0.2 O=CCCBr MCULE-4107157458 [2,0,0,0,0,0|1,0,1]=4 1500 B4R0.2 O=CCCCl MCULE-5863929313 [2,0,0,0,0,0|1,0,1]=4 1501 B4R0.2 O=CCCI MCULE-9771140462 [2,0,0,0,0,0|1,0,1]=4 1502 B4R0.2 O=CCCO MCULE-1685289763 [2,0,0,0,0,0|0,0,1]=3 1503 B4R0.2 O=CNC=O MCULE-3098379420 [2,0,0,0,0,0|1,0,0]=3 1504 B4R0.2 O=COC=O MCULE-6311384332 [2,0,0,0,0,0|1,0,0]=3 1505 B4R0.2 O=C[N-]C=O MCULE-4923470284 [2,0,0,0,0,0|1,0,0]=3 1506 B6R0.1 C#CC(=O)CCC MCULE-8990254228 [1,1,0,0,0,0|1,0,1]=4 1507 B6R0.1 C#CCC(=O)OC MCULE-8097491486 [1,1,0,0,0,0|0,0,2]=4 1508 B6R0.1 C(=C/C(=O)CC)\C MCULE-9250312874 [1,1,0,0,0,0|1,0,1]=4 1509 B6R0.1 C/C=C/C(=O)OC MCULE-8935178488 [1,1,0,0,0,0|0,0,1]=3 1510 B6R0.1 C=C(CC)CCO MCULE-5317656776 [1,1,0,0,0,0|1,0,1]=4 1511 B6R0.1 C=CC(=O)CCC MCULE-9373104880 [1,1,0,0,0,0|1,0,1]=4 1512 B6R0.1 C=CC(=O)COC MCULE-1933195578 [1,1,0,0,0,0|2,0,0]=4 1513 B6R0.1 C=CC/C(=N/O)/N MCULE-6681864760 [1,1,0,0,0,0|1,0,1]=4 1514 B6R0.1 C=CCC(=O)CN MCULE-3960819679 [1,1,0,0,0,0|1,0,0]=3 1515 B6R0.1 C=CCC(=O)CN MCULE-8089375331 [1,1,0,0,0,0|1,0,0]=3 1516 B6R0.1 C=CCC(=O)NC MCULE-4823208577 [1,1,0,0,0,0|1,0,0]=3 1517 B6R0.1 C=CCC(=O)OC MCULE-5546680906 [1,1,0,0,0,0|0,0,1]=3 1518 B6R0.1 C=CCC(C)C=O MCULE-3981206051 [1,1,0,0,0,0|1,0,1]=4 1519 B6R0.1 C=CC[C@H](C)C=O MCULE-6968117309 [1,1,0,0,0,0|1,0,1]=4 1520 B6R0.1 C=COC(=O)CC MCULE-7662621547 [1,1,0,0,0,0|2,0,0]=4 1521 B6R0.1 C=COC(=O)CCl MCULE-7675766105 [1,1,0,0,0,0|2,0,0]=4 1522 B6R0.1 CC#CC(=O)OC MCULE-6108678475 [1,1,0,0,0,0|0,0,2]=4 1523 B6R0.1 CC=CC(=O)CC MCULE-5948495959 [1,1,0,0,0,0|1,0,1]=4 1524 B6R0.1 CC=CC(=O)OC MCULE-1093700917 [1,1,0,0,0,0|0,0,1]=3 1525 B6R0.1 CCC(=O)CC#N MCULE-6150629588 [1,1,0,0,0,0|1,0,1]=4 1526 B6R0.1 CCC(=O)CNC MCULE-3030105640 [1,1,0,0,0,0|2,0,0]=4 1527 B6R0.1 CCC(=O)CNC MCULE-6945295017 [1,1,0,0,0,0|2,0,0]=4 1528 B6R0.1 CCC(=O)COC MCULE-1087802011 [1,1,0,0,0,0|2,0,0]=4 1529 B6R0.1 CCC(=O)CSC MCULE-3230433182 [1,1,0,0,0,0|2,0,0]=4 1530 B6R0.1 CCC(C)CC=O MCULE-9143756592 [1,1,0,0,0,0|1,0,1]=4 1531 B6R0.1 CCC/C(=N/O)/N MCULE-1101103373 [1,1,0,0,0,0|1,0,1]=4 1532 B6R0.1 CCC/C(=N/O)/N MCULE-2970638438 [1,1,0,0,0,0|1,0,1]=4 1533 B6R0.1 CCCC(=NO)C MCULE-6437787263 [1,1,0,0,0,0|1,0,1]=4 1534 B6R0.1 CCCC(=O)CBr MCULE-6276592955 [1,1,0,0,0,0|1,0,1]=4 1535 B6R0.1 CCCC(=O)CC MCULE-7121523805 [1,1,0,0,0,0|1,0,1]=4 1536 B6R0.1 CCCC(=O)CCl MCULE-3021809695 [1,1,0,0,0,0|1,0,1]=4 1537 B6R0.1 CCCC(=O)CN MCULE-4663263123 [1,1,0,0,0,0|1,0,1]=4 1538 B6R0.1 CCCC(=O)CN MCULE-6326368932 [1,1,0,0,0,0|1,0,1]=4 1539 B6R0.1 CCCC(=O)CO MCULE-6518249412 [1,1,0,0,0,0|0,0,1]=3 1540 B6R0.1 CCCC(=O)NC MCULE-5770149071 [1,1,0,0,0,0|1,0,1]=4 1541 B6R0.1 CCCC(=O)NN MCULE-3660167295 [1,1,0,0,0,0|1,0,1]=4 1542 B6R0.1 CCCC(=O)NO MCULE-8710375368 [1,1,0,0,0,0|0,0,1]=3 1543 B6R0.1 CCCC(=O)OC MCULE-1092030267 [1,1,0,0,0,0|0,0,1]=3 1544 B6R0.1 CCCC(=O)SC MCULE-1490654381 [1,1,0,0,0,0|0,1,1]=4 1545 B6R0.1 CCCC(=S)OC MCULE-8125476093 [1,1,0,0,0,0|0,1,1]=4 1546 B6R0.1 CCNC(=O)CO MCULE-1386307800 [1,1,0,0,0,0|1,0,1]=4 1547 B6R0.1 CCNC(=O)NO MCULE-3264850022 [1,1,0,0,0,0|1,0,1]=4 1548 B6R0.1 CCNC(=O)OC MCULE-7110705188 [1,1,0,0,0,0|1,0,1]=4 1549 B6R0.1 CCOC(=O)CO MCULE-8121340151 [1,1,0,0,0,0|1,0,1]=4 1550 B6R0.1 CCOC(=O)NO MCULE-4701193610 [1,1,0,0,0,0|1,0,1]=4 1551 B6R0.1 CCOC(=O)OC MCULE-1185162684 [1,1,0,0,0,0|1,0,1]=4 1552 B6R0.1 CCS(=O)CCO MCULE-8290368918 [1,1,0,0,0,0|1,0,1]=4 1553 B6R0.1 CN(C=O)CCO MCULE-3588371476 [1,1,0,0,0,0|1,0,1]=4 1554 B6R0.1 CN(CCO)N=O MCULE-3975606321 [1,1,0,0,0,0|1,0,1]=4 1555 B6R0.1 CNC(=O)CC#N MCULE-2970000161 [1,1,0,0,0,0|1,0,1]=4 1556 B6R0.1 CNC(=O)CCBr MCULE-9239224841 [1,1,0,0,0,0|1,0,1]=4 1557 B6R0.1 CNC(=O)CCCl MCULE-7130866366 [1,1,0,0,0,0|1,0,1]=4 1558 B6R0.1 CNC(=O)CCN MCULE-1374127264 [1,1,0,0,0,0|1,0,1]=4 1559 B6R0.1 CNC(=O)CCN MCULE-3948893656 [1,1,0,0,0,0|1,0,1]=4 1560 B6R0.1 CNC(=O)CCO MCULE-3222339741 [1,1,0,0,0,0|0,0,1]=3 1561 B6R0.1 CNC(=O)CCS MCULE-2385806944 [1,1,0,0,0,0|0,1,1]=4 1562 B6R0.1 CNC(=O)CON MCULE-6451598359 [1,1,0,0,0,0|2,0,0]=4 1563 B6R0.1 CNC(=O)CON MCULE-8743298594 [1,1,0,0,0,0|2,0,0]=4 1564 B6R0.1 CNCC(=O)NC MCULE-4579550577 [1,1,0,0,0,0|2,0,0]=4 1565 B6R0.1 CNCC(=O)NC MCULE-7833395637 [1,1,0,0,0,0|2,0,0]=4 1566 B6R0.1 CNCC(=O)NN MCULE-8639164023 [1,1,0,0,0,0|2,0,0]=4 1567 B6R0.1 CNCC(=O)OC MCULE-1667683926 [1,1,0,0,0,0|1,0,0]=3 1568 B6R0.1 CNCC(=O)OC MCULE-5530863658 [1,1,0,0,0,0|1,0,0]=3 1569 B6R0.1 CNNC(=O)OC MCULE-4763095719 [1,1,0,0,0,0|2,0,0]=4 1570 B6R0.1 COC(=N)CCO MCULE-1904978557 [1,1,0,0,0,0|1,0,1]=4 1571 B6R0.1 COC(=N)CCO MCULE-8146089973 [1,1,0,0,0,0|1,0,1]=4 1572 B6R0.1 COC(=O)/C=C/Br MCULE-8282646495 [1,1,0,0,0,0|1,0,1]=4 1573 B6R0.1 COC(=O)/C=C/I MCULE-2652779390 [1,1,0,0,0,0|1,0,1]=4 1574 B6R0.1 COC(=O)/C=C\Br MCULE-8147758029 [1,1,0,0,0,0|1,0,1]=4 1575 B6R0.1 COC(=O)/C=C\I MCULE-9091408550 [1,1,0,0,0,0|1,0,1]=4 1576 B6R0.1 COC(=O)C=CBr MCULE-6878439912 [1,1,0,0,0,0|1,0,1]=4 1577 B6R0.1 COC(=O)C=CCl MCULE-6895925134 [1,1,0,0,0,0|1,0,1]=4 1578 B6R0.1 COC(=O)C=CI MCULE-1616048599 [1,1,0,0,0,0|1,0,1]=4 1579 B6R0.1 COC(=O)C=CN MCULE-4685220707 [1,1,0,0,0,0|1,0,1]=4 1580 B6R0.1 COC(=O)CC#N MCULE-2699345092 [1,1,0,0,0,0|1,0,1]=4 1581 B6R0.1 COC(=O)CC=O MCULE-6624474559 [1,1,0,0,0,0|0,0,0]=2 1582 B6R0.1 COC(=O)CCBr MCULE-3565567444 [1,1,0,0,0,0|1,0,1]=4 1583 B6R0.1 COC(=O)CCCl MCULE-5034007224 [1,1,0,0,0,0|1,0,1]=4 1584 B6R0.1 COC(=O)CCI MCULE-5984806612 [1,1,0,0,0,0|1,0,1]=4 1585 B6R0.1 COC(=O)CCN MCULE-2306060188 [1,1,0,0,0,0|1,0,1]=4 1586 B6R0.1 COC(=O)CCN MCULE-8245275833 [1,1,0,0,0,0|1,0,1]=4 1587 B6R0.1 COC(=O)CCO MCULE-8538834260 [1,1,0,0,0,0|0,0,1]=3 1588 B6R0.1 COC(=O)CCS MCULE-1695345183 [1,1,0,0,0,0|0,1,1]=4 1589 B6R0.1 COC(=O)CNN MCULE-3287579794 [1,1,0,0,0,0|2,0,0]=4 1590 B6R0.1 COC(=O)CNN MCULE-3838874166 [1,1,0,0,0,0|2,0,0]=4 1591 B6R0.1 COC(=O)CON MCULE-4799038238 [1,1,0,0,0,0|2,0,0]=4 1592 B6R0.1 COC(=O)CSC MCULE-6735536033 [1,1,0,0,0,0|1,0,0]=3 1593 B6R0.1 COC(=O)NC=O MCULE-9852632340 [1,1,0,0,0,0|1,0,0]=3 1594 B6R0.1 COC(C)CC=O MCULE-7243333697 [1,1,0,0,0,0|0,0,2]=4 1595 B6R0.1 COC/C(=N/O)/N MCULE-8214035702 [1,1,0,0,0,0|2,0,0]=4 1596 B6R0.1 COCC(=N)OC MCULE-2350779439 [1,1,0,0,0,0|2,0,0]=4 1597 B6R0.1 COCC(=N)OC MCULE-7810421458 [1,1,0,0,0,0|2,0,0]=4 1598 B6R0.1 COCC(=O)CCl MCULE-7542636020 [1,1,0,0,0,0|2,0,0]=4 1599 B6R0.1 COCC(=O)NN MCULE-4127487886 [1,1,0,0,0,0|2,0,0]=4 1600 B6R0.1 COCC(=O)OC MCULE-8337685268 [1,1,0,0,0,0|1,0,0]=3 1601 B6R0.1 CONC(=O)OC MCULE-9304532248 [1,1,0,0,0,0|2,0,0]=4 1602 B6R0.1 CSC(C)CC=O MCULE-9433914892 [1,1,0,0,0,0|0,1,1]=4 1603 B6R0.1 CSC/C(=N/O)/N MCULE-9599823795 [1,1,0,0,0,0|2,0,0]=4 1604 B6R0.1 CSCC(=O)NN MCULE-8151954663 [1,1,0,0,0,0|2,0,0]=4 1605 B6R0.1 NCCC(=O)CN MCULE-3906468943 [1,1,0,0,0,0|1,0,1]=4 1606 B6R0.1 NCCC(=O)CN MCULE-9593243702 [1,1,0,0,0,0|1,0,1]=4 1607 B6R0.1 NNC(=O)CCO MCULE-6184351353 [1,1,0,0,0,0|1,0,1]=4 1608 B6R0.1 O=C(C=CCl)CCl MCULE-6121304267 [1,1,0,0,0,0|1,0,1]=4 1609 B6R0.1 O=C(CCCl)NO MCULE-5569658108 [1,1,0,0,0,0|1,0,1]=4 1610 B6R0.1 O=C(CCl)CCCl MCULE-6460902474 [1,1,0,0,0,0|1,0,1]=4 1611 B6R0.1 O=C(CCl)NCO MCULE-9960585064 [1,1,0,0,0,0|1,0,1]=4 1612 B6R0.1 O=C=NC(=O)CCl MCULE-8927897165 [1,1,0,0,0,0|1,0,1]=4 1613 B6R0.1 O=CC[C@H](O)CCl MCULE-6385696769 [1,1,0,0,0,0|0,0,2]=4 1614 B6R0.3 C#CC(O)C(=O)O MCULE-4214673632 [1,1,0,0,0,0|0,0,2]=4 1615 B6R0.3 C(C)(OC)C(=O)O MCULE-4852209230 [1,1,0,0,0,0|1,0,0]=3 1616 B6R0.3 C(N)(CO)C(=O)N MCULE-5512645571 [1,1,0,0,0,0|1,0,1]=4 1617 B6R0.3 C(N)(CO)C(=O)N MCULE-5852943337 [1,1,0,0,0,0|1,0,1]=4 1618 B6R0.3 C/C=C(/C)\C(=O)O MCULE-2116066534 [1,1,0,0,0,0|0,0,1]=3 1619 B6R0.3 C/C=C(\Br)/C(=O)O MCULE-5940308548 [1,1,0,0,0,0|0,0,1]=3 1620 B6R0.3 C/C=C(\C)/C(=O)O MCULE-4890719796 [1,1,0,0,0,0|0,0,1]=3 1621 B6R0.3 C/C=C(\O)/C(=O)O MCULE-9596699660 [1,1,0,0,0,0|0,0,1]=3 1622 B6R0.3 C=C(CC)C(=O)O MCULE-7335567367 [1,1,0,0,0,0|0,0,2]=4 1623 B6R0.3 C=C(OC)C(=O)O MCULE-9965334560 [1,1,0,0,0,0|1,0,1]=4 1624 B6R0.3 C=CC(=O)C(=O)O MCULE-9816982424 [1,1,0,0,0,0|0,0,2]=4 1625 B6R0.3 C=CC(C)C(=O)O MCULE-7280145889 [1,1,0,0,0,0|0,0,1]=3 1626 B6R0.3 C=CC(N)C(=O)O MCULE-2000511750 [1,1,0,0,0,0|0,0,1]=3 1627 B6R0.3 C=CC(N)C(=O)O MCULE-7504415267 [1,1,0,0,0,0|0,0,1]=3 1628 B6R0.3 C=CC(N)C(=O)O MCULE-9012490000 [1,1,0,0,0,0|0,0,1]=3 1629 B6R0.3 C=CC(N)C(=O)O MCULE-9978294266 [1,1,0,0,0,0|0,0,1]=3 1630 B6R0.3 C=CC(O)C(=O)O MCULE-3847595710 [1,1,0,0,0,0|0,0,1]=3 1631 B6R0.3 C=CN(C)C(=O)C MCULE-2418332000 [1,1,0,0,0,0|2,0,0]=4 1632 B6R0.3 C=C[C@@H](C)C(=O)O MCULE-9719548038 [1,1,0,0,0,0|0,0,1]=3 1633 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-3678761806 [1,1,0,0,0,0|0,0,1]=3 1634 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-6682447306 [1,1,0,0,0,0|0,0,1]=3 1635 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-6779191781 [1,1,0,0,0,0|0,0,1]=3 1636 B6R0.3 C=C[C@H](C)C(=O)O MCULE-1694697840 [1,1,0,0,0,0|0,0,1]=3 1637 B6R0.3 C=C[C@H](C)C(=O)O MCULE-2601438258 [1,1,0,0,0,0|0,0,1]=3 1638 B6R0.3 C=C[C@H](C)C(=O)O MCULE-6098133430 [1,1,0,0,0,0|0,0,1]=3 1639 B6R0.3 C=C[C@H](N)C(=O)O MCULE-2657488498 [1,1,0,0,0,0|0,0,1]=3 1640 B6R0.3 C=C[C@H](N)C(=O)O MCULE-5103456570 [1,1,0,0,0,0|0,0,1]=3 1641 B6R0.3 C=C[C@H](N)C(=O)O MCULE-5936124947 [1,1,0,0,0,0|0,0,1]=3 1642 B6R0.3 C=C[C@H](N)C(=O)O MCULE-9631686254 [1,1,0,0,0,0|0,0,1]=3 1643 B6R0.3 CC(=CBr)C(=O)O MCULE-3682516046 [1,1,0,0,0,0|1,0,1]=4 1644 B6R0.3 CC(=O)/C(=N/O)/C MCULE-2017881701 [1,1,0,0,0,0|1,0,1]=4 1645 B6R0.3 CC(=O)/C(=N\O)/C MCULE-6814264333 [1,1,0,0,0,0|1,0,1]=4 1646 B6R0.3 CC(=O)C(=NO)C MCULE-3626428375 [1,1,0,0,0,0|1,0,1]=4 1647 B6R0.3 CC(=O)C(=NO)Cl MCULE-9930401042 [1,1,0,0,0,0|1,0,1]=4 1648 B6R0.3 CC(=O)C(Br)C=O MCULE-6904531970 [1,1,0,0,0,0|0,0,0]=2 1649 B6R0.3 CC(=O)C(C)C#N MCULE-3849364002 [1,1,0,0,0,0|1,0,1]=4 1650 B6R0.3 CC(=O)C(C)C=O MCULE-7133682970 [1,1,0,0,0,0|0,0,0]=2 1651 B6R0.3 CC(=O)C(C)CO MCULE-9026658672 [1,1,0,0,0,0|0,0,1]=3 1652 B6R0.3 CC(=O)C(Cl)C#N MCULE-7984925847 [1,1,0,0,0,0|1,0,1]=4 1653 B6R0.3 CC(=O)C(N)CO MCULE-4063057020 [1,1,0,0,0,0|0,0,1]=3 1654 B6R0.3 CC(=O)[C@@H](N)CO MCULE-9046372356 [1,1,0,0,0,0|0,0,1]=3 1655 B6R0.3 CC(C#N)C(=O)O MCULE-3302580561 [1,1,0,0,0,0|1,0,1]=4 1656 B6R0.3 CC(C)C(Br)C=O MCULE-2054791376 [1,1,0,0,0,0|1,0,1]=4 1657 B6R0.3 CC(C)[C@H](N)C=O MCULE-6686967175 [1,1,0,0,0,0|1,0,1]=4 1658 B6R0.3 CC(CBr)C(=O)O MCULE-1430003780 [1,1,0,0,0,0|1,0,1]=4 1659 B6R0.3 CC(CF)C(=O)O MCULE-7390028409 [1,1,0,0,0,0|1,0,1]=4 1660 B6R0.3 CC(CN)C(=O)O MCULE-5485986433 [1,1,0,0,0,0|1,0,1]=4 1661 B6R0.3 CC(CN)C(=O)O MCULE-5638884438 [1,1,0,0,0,0|1,0,1]=4 1662 B6R0.3 CC(CO)C(=O)O MCULE-2772009804 [1,1,0,0,0,0|0,0,2]=4 1663 B6R0.3 CC(CO)C(=O)[O-] MCULE-6956620176 [1,1,0,0,0,0|1,0,1]=4 1664 B6R0.3 CC(CS)C(=O)O MCULE-9982386135 [1,1,0,0,0,0|0,1,1]=4 1665 B6R0.3 CC(ON)C(=O)O MCULE-1969235976 [1,1,0,0,0,0|2,0,0]=4 1666 B6R0.3 CC(ON)C(=O)O MCULE-4318537884 [1,1,0,0,0,0|2,0,0]=4 1667 B6R0.3 CC(ON)C(=O)O MCULE-4455753863 [1,1,0,0,0,0|2,0,0]=4 1668 B6R0.3 CC(ON)C(=O)O MCULE-8893009712 [1,1,0,0,0,0|2,0,0]=4 1669 B6R0.3 CC=C(Br)C(=O)O MCULE-5368794596 [1,1,0,0,0,0|0,0,1]=3 1670 B6R0.3 CC=C(C)C(=O)C MCULE-8950290711 [1,1,0,0,0,0|1,0,1]=4 1671 B6R0.3 CC=C(C)C(=O)Cl MCULE-2974704783 [1,1,0,0,0,0|1,0,1]=4 1672 B6R0.3 CC=C(C)C(=O)O MCULE-2390677360 [1,1,0,0,0,0|0,0,1]=3 1673 B6R0.3 CC=C(Cl)C(=O)O MCULE-5827690088 [1,1,0,0,0,0|0,0,1]=3 1674 B6R0.3 CC=C(F)C(=O)O MCULE-5053310707 [1,1,0,0,0,0|0,0,1]=3 1675 B6R0.3 CC=C(O)C(=O)O MCULE-7886990963 [1,1,0,0,0,0|0,0,1]=3 1676 B6R0.3 CCC(=O)C(=O)O MCULE-8360398438 [1,1,0,0,0,0|0,0,2]=4 1677 B6R0.3 CCC(Br)C(=O)Br MCULE-2627972929 [1,1,0,0,0,0|1,0,1]=4 1678 B6R0.3 CCC(Br)C(=O)C MCULE-7759811805 [1,1,0,0,0,0|1,0,1]=4 1679 B6R0.3 CCC(Br)C(=O)Cl MCULE-1448867234 [1,1,0,0,0,0|1,0,1]=4 1680 B6R0.3 CCC(Br)C(=O)N MCULE-5823441392 [1,1,0,0,0,0|1,0,1]=4 1681 B6R0.3 CCC(Br)C(=O)O MCULE-4214463814 [1,1,0,0,0,0|0,0,1]=3 1682 B6R0.3 CCC(C)C(=O)C MCULE-5294244024 [1,1,0,0,0,0|1,0,1]=4 1683 B6R0.3 CCC(C)C(=O)Cl MCULE-3594098886 [1,1,0,0,0,0|1,0,1]=4 1684 B6R0.3 CCC(C)C(=O)N MCULE-9298244547 [1,1,0,0,0,0|1,0,1]=4 1685 B6R0.3 CCC(C)C(=O)O MCULE-5615925204 [1,1,0,0,0,0|0,0,1]=3 1686 B6R0.3 CCC(C)C(=O)O MCULE-7434436828 [1,1,0,0,0,0|0,0,1]=3 1687 B6R0.3 CCC(Cl)C(=O)Cl MCULE-6260726168 [1,1,0,0,0,0|1,0,1]=4 1688 B6R0.3 CCC(Cl)C(=O)N MCULE-7941338456 [1,1,0,0,0,0|1,0,1]=4 1689 B6R0.3 CCC(Cl)C(=O)O MCULE-6325944516 [1,1,0,0,0,0|0,0,1]=3 1690 B6R0.3 CCC(F)C(=O)O MCULE-3947852767 [1,1,0,0,0,0|0,0,1]=3 1691 B6R0.3 CCC(N)C(=O)N MCULE-2662930657 [1,1,0,0,0,0|1,0,1]=4 1692 B6R0.3 CCC(N)C(=O)N MCULE-5136248706 [1,1,0,0,0,0|1,0,1]=4 1693 B6R0.3 CCC(N)C(=O)N MCULE-8876361903 [1,1,0,0,0,0|1,0,1]=4 1694 B6R0.3 CCC(N)C(=O)N MCULE-9704177556 [1,1,0,0,0,0|1,0,1]=4 1695 B6R0.3 CCC(N)C(=O)O MCULE-2132009026 [1,1,0,0,0,0|0,0,1]=3 1696 B6R0.3 CCC(N)C(=O)O MCULE-7397078475 [1,1,0,0,0,0|0,0,1]=3 1697 B6R0.3 CCC(N)C(=O)O MCULE-8052711911 [1,1,0,0,0,0|0,0,1]=3 1698 B6R0.3 CCC(N)C(=O)O MCULE-9815187967 [1,1,0,0,0,0|0,0,1]=3 1699 B6R0.3 CCC(O)C(=O)N MCULE-4290959224 [1,1,0,0,0,0|1,0,1]=4 1700 B6R0.3 CCC(O)C(=O)O MCULE-1958918710 [1,1,0,0,0,0|0,0,1]=3 1701 B6R0.3 CCC(O)C(=O)O MCULE-2006594131 [1,1,0,0,0,0|0,0,1]=3 1702 B6R0.3 CCC(O)C(=O)[O-] MCULE-5297669254 [1,1,0,0,0,0|0,0,2]=4 1703 B6R0.3 CCC(O)C(=O)[O-] MCULE-5740032698 [1,1,0,0,0,0|0,0,2]=4 1704 B6R0.3 CCC(S)C(=O)C MCULE-4243782106 [1,1,0,0,0,0|1,0,1]=4 1705 B6R0.3 CCC(S)C(=O)O MCULE-9887370695 [1,1,0,0,0,0|0,0,1]=3 1706 B6R0.3 CC[C@@H](Br)C(=O)O MCULE-3890418201 [1,1,0,0,0,0|0,0,1]=3 1707 B6R0.3 CC[C@@H](Br)C(=O)O MCULE-5910145154 [1,1,0,0,0,0|0,0,1]=3 1708 B6R0.3 CC[C@@H](C)C(=O)N MCULE-3083676357 [1,1,0,0,0,0|1,0,1]=4 1709 B6R0.3 CC[C@@H](C)C(=O)N MCULE-4584753474 [1,1,0,0,0,0|1,0,1]=4 1710 B6R0.3 CC[C@@H](C)C(=O)O MCULE-4225604875 [1,1,0,0,0,0|0,0,1]=3 1711 B6R0.3 CC[C@@H](C)C(=O)O MCULE-6581991788 [1,1,0,0,0,0|0,0,1]=3 1712 B6R0.3 CC[C@@H](Cl)C(=O)O MCULE-2496023102 [1,1,0,0,0,0|0,0,1]=3 1713 B6R0.3 CC[C@@H](Cl)C(=O)O MCULE-9719915588 [1,1,0,0,0,0|0,0,1]=3 1714 B6R0.3 CC[C@@H](N)C(=O)N MCULE-2790345262 [1,1,0,0,0,0|1,0,1]=4 1715 B6R0.3 CC[C@@H](N)C(=O)N MCULE-3501293124 [1,1,0,0,0,0|1,0,1]=4 1716 B6R0.3 CC[C@@H](N)C(=O)N MCULE-4913204798 [1,1,0,0,0,0|1,0,1]=4 1717 B6R0.3 CC[C@@H](N)C(=O)N MCULE-5005994513 [1,1,0,0,0,0|1,0,1]=4 1718 B6R0.3 CC[C@@H](N)C(=O)O MCULE-3824768448 [1,1,0,0,0,0|0,0,1]=3 1719 B6R0.3 CC[C@@H](N)C(=O)O MCULE-7078248621 [1,1,0,0,0,0|0,0,1]=3 1720 B6R0.3 CC[C@@H](N)C(=O)O MCULE-8856363896 [1,1,0,0,0,0|0,0,1]=3 1721 B6R0.3 CC[C@@H](N)C(=O)O MCULE-9662763952 [1,1,0,0,0,0|0,0,1]=3 1722 B6R0.3 CC[C@@H](O)C(=O)O MCULE-8118182602 [1,1,0,0,0,0|0,0,1]=3 1723 B6R0.3 CC[C@@H](O)C(=O)O MCULE-9744322272 [1,1,0,0,0,0|0,0,1]=3 1724 B6R0.3 CC[C@H](Br)C(=O)O MCULE-2859668715 [1,1,0,0,0,0|0,0,1]=3 1725 B6R0.3 CC[C@H](Br)C(=O)O MCULE-9989821197 [1,1,0,0,0,0|0,0,1]=3 1726 B6R0.3 CC[C@H](C)C(=O)O MCULE-5170193492 [1,1,0,0,0,0|0,0,1]=3 1727 B6R0.3 CC[C@H](C)C(=O)O MCULE-6595467867 [1,1,0,0,0,0|0,0,1]=3 1728 B6R0.3 CC[C@H](Cl)C(=O)O MCULE-8870390851 [1,1,0,0,0,0|0,0,1]=3 1729 B6R0.3 CC[C@H](N)C(=O)N MCULE-1934671300 [1,1,0,0,0,0|1,0,1]=4 1730 B6R0.3 CC[C@H](N)C(=O)N MCULE-3034729287 [1,1,0,0,0,0|1,0,1]=4 1731 B6R0.3 CC[C@H](N)C(=O)N MCULE-6902117665 [1,1,0,0,0,0|1,0,1]=4 1732 B6R0.3 CC[C@H](N)C(=O)N MCULE-9419812665 [1,1,0,0,0,0|1,0,1]=4 1733 B6R0.3 CC[C@H](N)C(=O)O MCULE-3597025691 [1,1,0,0,0,0|0,0,1]=3 1734 B6R0.3 CC[C@H](N)C(=O)O MCULE-5445914617 [1,1,0,0,0,0|0,0,1]=3 1735 B6R0.3 CC[C@H](N)C(=O)O MCULE-7781302707 [1,1,0,0,0,0|0,0,1]=3 1736 B6R0.3 CC[C@H](N)C(=O)O MCULE-8446392822 [1,1,0,0,0,0|0,0,1]=3 1737 B6R0.3 CC[C@H](N)C(=[Se])O MCULE-2161876558 [1,1,0,0,0,0|0,1,1]=4 1738 B6R0.3 CC[C@H](N)C(=[Se])O MCULE-6045953433 [1,1,0,0,0,0|0,1,1]=4 1739 B6R0.3 CC[C@H](O)C(=O)O MCULE-4284991317 [1,1,0,0,0,0|0,0,1]=3 1740 B6R0.3 CC[C@H](O)C(=O)O MCULE-6782147427 [1,1,0,0,0,0|0,0,1]=3 1741 B6R0.3 CC[C@H](O)C(=O)[O-] MCULE-6073275709 [1,1,0,0,0,0|0,0,2]=4 1742 B6R0.3 CNC(=O)C(=O)O MCULE-5436132271 [1,1,0,0,0,0|1,0,1]=4 1743 B6R0.3 CNC(C)C(=O)N MCULE-1426280147 [1,1,0,0,0,0|2,0,0]=4 1744 B6R0.3 CNC(C)C(=O)N MCULE-2344663168 [1,1,0,0,0,0|2,0,0]=4 1745 B6R0.3 CNC(C)C(=O)O MCULE-4088114502 [1,1,0,0,0,0|1,0,0]=3 1746 B6R0.3 CNC(C)C(=O)O MCULE-7300169560 [1,1,0,0,0,0|1,0,0]=3 1747 B6R0.3 CNC(C)C(=O)O MCULE-8623956615 [1,1,0,0,0,0|1,0,0]=3 1748 B6R0.3 CN[C@@H](C)C(=O)N MCULE-3316985921 [1,1,0,0,0,0|2,0,0]=4 1749 B6R0.3 CN[C@@H](C)C(=O)O MCULE-2079366664 [1,1,0,0,0,0|1,0,0]=3 1750 B6R0.3 CN[C@@H](C)C(=O)O MCULE-4072364377 [1,1,0,0,0,0|1,0,0]=3 1751 B6R0.3 CN[C@@H](C)C(=O)O MCULE-4518259073 [1,1,0,0,0,0|1,0,0]=3 1752 B6R0.3 CN[C@@H](C)C(=O)O MCULE-8200069325 [1,1,0,0,0,0|1,0,0]=3 1753 B6R0.3 CN[C@H](C)C(=O)O MCULE-2777429698 [1,1,0,0,0,0|1,0,0]=3 1754 B6R0.3 CN[C@H](C)C(=O)O MCULE-7282734154 [1,1,0,0,0,0|1,0,0]=3 1755 B6R0.3 CN[C@H](C)C(=O)O MCULE-9709122579 [1,1,0,0,0,0|1,0,0]=3 1756 B6R0.3 COC(=O)C(=O)O MCULE-8527842270 [1,1,0,0,0,0|1,0,1]=4 1757 B6R0.3 COC(Br)C(=O)C MCULE-1220922171 [1,1,0,0,0,0|2,0,0]=4 1758 B6R0.3 COC(Br)C(=O)O MCULE-9018983840 [1,1,0,0,0,0|1,0,0]=3 1759 B6R0.3 COC(C)C(=O)C MCULE-8058502137 [1,1,0,0,0,0|2,0,0]=4 1760 B6R0.3 COC(C)C(=O)N MCULE-5955494048 [1,1,0,0,0,0|2,0,0]=4 1761 B6R0.3 COC(C)C(=O)O MCULE-8913745653 [1,1,0,0,0,0|1,0,0]=3 1762 B6R0.3 CO[C@@H](C)C(=O)Cl MCULE-9335923061 [1,1,0,0,0,0|2,0,0]=4 1763 B6R0.3 CO[C@@H](C)C(=O)O MCULE-7456458246 [1,1,0,0,0,0|1,0,0]=3 1764 B6R0.3 CO[C@@H](C)C(=O)O MCULE-8108977564 [1,1,0,0,0,0|1,0,0]=3 1765 B6R0.3 CO[C@H](C)C(=O)O MCULE-3078851913 [1,1,0,0,0,0|1,0,0]=3 1766 B6R0.3 CO[C@H](C)C(=O)O MCULE-5370950850 [1,1,0,0,0,0|1,0,0]=3 1767 B6R0.3 CSC(C)C(=O)C MCULE-8567808254 [1,1,0,0,0,0|2,0,0]=4 1768 B6R0.3 CSC(C)C(=O)O MCULE-8062487948 [1,1,0,0,0,0|1,0,0]=3 1769 B6R0.3 C[C@@H](CN)C(=O)O MCULE-4438181090 [1,1,0,0,0,0|1,0,1]=4 1770 B6R0.3 C[C@@H](CN)C(=O)O MCULE-4599481344 [1,1,0,0,0,0|1,0,1]=4 1771 B6R0.3 C[C@@H](CN)C(=O)O MCULE-5826933618 [1,1,0,0,0,0|1,0,1]=4 1772 B6R0.3 C[C@@H](CN)C(=O)O MCULE-5914856504 [1,1,0,0,0,0|1,0,1]=4 1773 B6R0.3 C[C@@H](CO)C(=O)O MCULE-1381224499 [1,1,0,0,0,0|0,0,2]=4 1774 B6R0.3 C[C@@H](CO)C(=O)O MCULE-4599417419 [1,1,0,0,0,0|0,0,2]=4 1775 B6R0.3 C[C@@H](ON)C(=O)O MCULE-1538722507 [1,1,0,0,0,0|2,0,0]=4 1776 B6R0.3 C[C@@H](ON)C(=O)O MCULE-3835402446 [1,1,0,0,0,0|2,0,0]=4 1777 B6R0.3 C[C@H](CN)C(=O)O MCULE-3703540023 [1,1,0,0,0,0|1,0,1]=4 1778 B6R0.3 C[C@H](CN)C(=O)O MCULE-5714771083 [1,1,0,0,0,0|1,0,1]=4 1779 B6R0.3 C[C@H](CN)C(=O)O MCULE-9009901306 [1,1,0,0,0,0|1,0,1]=4 1780 B6R0.3 C[C@H](CN)C(=O)O MCULE-9217365463 [1,1,0,0,0,0|1,0,1]=4 1781 B6R0.3 C[C@H](CO)C(=O)O MCULE-7012562122 [1,1,0,0,0,0|0,0,2]=4 1782 B6R0.3 C[C@H](CO)C(=O)O MCULE-9702865885 [1,1,0,0,0,0|0,0,2]=4 1783 B6R0.3 C[C@H](CO)C(=O)[O-] MCULE-5733737039 [1,1,0,0,0,0|1,0,1]=4 1784 B6R0.3 C[C@H](ON)C(=O)O MCULE-3327889540 [1,1,0,0,0,0|2,0,0]=4 1785 B6R0.3 C[C@H](ON)C(=O)O MCULE-4523264650 [1,1,0,0,0,0|2,0,0]=4 1786 B6R0.3 NC(=O)C(N)CO MCULE-4842751232 [1,1,0,0,0,0|1,0,1]=4 1787 B6R0.3 NC(=O)C(N)CO MCULE-6854366147 [1,1,0,0,0,0|1,0,1]=4 1788 B6R0.3 NC(=O)[C@@H](N)CO MCULE-2185844038 [1,1,0,0,0,0|1,0,1]=4 1789 B6R0.3 NC(=O)[C@@H](N)CO MCULE-3623516041 [1,1,0,0,0,0|1,0,1]=4 1790 B6R0.3 NC(=O)[C@@H](N)CO MCULE-6218638108 [1,1,0,0,0,0|1,0,1]=4 1791 B6R0.3 NC(=O)[C@H](N)CO MCULE-2061645482 [1,1,0,0,0,0|1,0,1]=4 1792 B6R0.3 NC(=O)[C@H](N)CO MCULE-5920366137 [1,1,0,0,0,0|1,0,1]=4 1793 B6R0.3 NC(=O)[C@H](N)CO MCULE-7612340519 [1,1,0,0,0,0|1,0,1]=4 1794 B6R0.3 NC(=O)[C@H](N)CO MCULE-7734326153 [1,1,0,0,0,0|1,0,1]=4 1795 B6R0.3 NC(CCl)C(=O)O MCULE-1601405489 [1,1,0,0,0,0|1,0,1]=4 1796 B6R0.3 NC(CCl)C(=O)O MCULE-3020306643 [1,1,0,0,0,0|1,0,1]=4 1797 B6R0.3 NC(CCl)C(=O)O MCULE-5440349631 [1,1,0,0,0,0|1,0,1]=4 1798 B6R0.3 NC(CF)C(=O)O MCULE-3274339636 [1,1,0,0,0,0|1,0,1]=4 1799 B6R0.3 NC(CO)C(=O)O MCULE-2425237422 [1,1,0,0,0,0|0,0,2]=4 1800 B6R0.3 NC(CO)C(=O)O MCULE-6460387318 [1,1,0,0,0,0|0,0,2]=4 1801 B6R0.3 NC(CS)C(=O)O MCULE-1666411258 [1,1,0,0,0,0|0,1,1]=4 1802 B6R0.3 NC(CS)C(=O)O MCULE-2938329352 [1,1,0,0,0,0|0,1,1]=4 1803 B6R0.3 NC(CS)C(=O)O MCULE-7203902929 [1,1,0,0,0,0|0,1,1]=4 1804 B6R0.3 NC(CS)C(=O)O MCULE-7790846545 [1,1,0,0,0,0|0,1,1]=4 1805 B6R0.3 NCC(Br)C(=O)O MCULE-2289205408 [1,1,0,0,0,0|1,0,1]=4 1806 B6R0.3 NCC(Br)C(=O)O MCULE-9361399143 [1,1,0,0,0,0|1,0,1]=4 1807 B6R0.3 NCC(F)C(=O)O MCULE-5666887061 [1,1,0,0,0,0|1,0,1]=4 1808 B6R0.3 NCC(F)C(=O)O MCULE-6134707533 [1,1,0,0,0,0|1,0,1]=4 1809 B6R0.3 NCC(N)C(=O)O MCULE-1867799207 [1,1,0,0,0,0|1,0,1]=4 1810 B6R0.3 NCC(N)C(=O)O MCULE-4853376364 [1,1,0,0,0,0|1,0,1]=4 1811 B6R0.3 NCC(N)C(=O)O MCULE-7636331821 [1,1,0,0,0,0|1,0,1]=4 1812 B6R0.3 NCC(N)C(=O)O MCULE-7735444546 [1,1,0,0,0,0|1,0,1]=4 1813 B6R0.3 NCC(N)C(=O)O MCULE-9197553017 [1,1,0,0,0,0|1,0,1]=4 1814 B6R0.3 NCC(O)C(=O)O MCULE-2137675488 [1,1,0,0,0,0|1,0,1]=4 1815 B6R0.3 NCC(O)C(=O)O MCULE-3348306437 [1,1,0,0,0,0|1,0,1]=4 1816 B6R0.3 NC[C@@H](F)C(=O)O MCULE-3544959183 [1,1,0,0,0,0|1,0,1]=4 1817 B6R0.3 NC[C@@H](F)C(=O)O MCULE-4122418685 [1,1,0,0,0,0|1,0,1]=4 1818 B6R0.3 NC[C@@H](F)C(=O)O MCULE-8592364466 [1,1,0,0,0,0|1,0,1]=4 1819 B6R0.3 NC[C@@H](F)C(=O)O MCULE-9106826144 [1,1,0,0,0,0|1,0,1]=4 1820 B6R0.3 NC[C@@H](N)C(=O)O MCULE-5363126654 [1,1,0,0,0,0|1,0,1]=4 1821 B6R0.3 NC[C@@H](N)C(=O)O MCULE-8998345978 [1,1,0,0,0,0|1,0,1]=4 1822 B6R0.3 NC[C@@H](N)C(=O)O MCULE-9125384126 [1,1,0,0,0,0|1,0,1]=4 1823 B6R0.3 NC[C@@H](O)C(=O)O MCULE-5922773276 [1,1,0,0,0,0|1,0,1]=4 1824 B6R0.3 NC[C@@H](O)C(=O)O MCULE-8921832932 [1,1,0,0,0,0|1,0,1]=4 1825 B6R0.3 NC[C@H](F)C(=O)O MCULE-2695037152 [1,1,0,0,0,0|1,0,1]=4 1826 B6R0.3 NC[C@H](F)C(=O)O MCULE-4323150722 [1,1,0,0,0,0|1,0,1]=4 1827 B6R0.3 NC[C@H](F)C(=O)O MCULE-6701791437 [1,1,0,0,0,0|1,0,1]=4 1828 B6R0.3 NC[C@H](F)C(=O)O MCULE-7674783008 [1,1,0,0,0,0|1,0,1]=4 1829 B6R0.3 NC[C@H](N)C(=O)O MCULE-1389567062 [1,1,0,0,0,0|1,0,1]=4 1830 B6R0.3 NC[C@H](N)C(=O)O MCULE-1833064192 [1,1,0,0,0,0|1,0,1]=4 1831 B6R0.3 NC[C@H](N)C(=O)O MCULE-2347369254 [1,1,0,0,0,0|1,0,1]=4 1832 B6R0.3 NC[C@H](N)C(=O)O MCULE-2781423323 [1,1,0,0,0,0|1,0,1]=4 1833 B6R0.3 NC[C@H](N)C(=O)O MCULE-6498458695 [1,1,0,0,0,0|1,0,1]=4 1834 B6R0.3 NC[C@H](N)C(=O)O MCULE-8313668715 [1,1,0,0,0,0|1,0,1]=4 1835 B6R0.3 NC[C@H](O)C(=O)O MCULE-5854124012 [1,1,0,0,0,0|1,0,1]=4 1836 B6R0.3 NC[C@H](O)C(=O)O MCULE-7536593166 [1,1,0,0,0,0|1,0,1]=4 1837 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-2896868744 [1,1,0,0,0,0|1,0,1]=4 1838 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-5799339909 [1,1,0,0,0,0|1,0,1]=4 1839 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-7445121230 [1,1,0,0,0,0|1,0,1]=4 1840 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-9137000163 [1,1,0,0,0,0|1,0,1]=4 1841 B6R0.3 N[C@@H](CO)C(=O)O MCULE-4580794842 [1,1,0,0,0,0|0,0,2]=4 1842 B6R0.3 N[C@@H](CO)C(=O)O MCULE-5604658333 [1,1,0,0,0,0|0,0,2]=4 1843 B6R0.3 N[C@@H](CO)C(=O)O MCULE-5884286841 [1,1,0,0,0,0|0,0,2]=4 1844 B6R0.3 N[C@@H](CO)C(=O)O MCULE-6118038121 [1,1,0,0,0,0|0,0,2]=4 1845 B6R0.3 N[C@@H](CS)C(=O)O MCULE-1896679526 [1,1,0,0,0,0|0,1,1]=4 1846 B6R0.3 N[C@@H](CS)C(=O)O MCULE-2206038012 [1,1,0,0,0,0|0,1,1]=4 1847 B6R0.3 N[C@@H](CS)C(=O)O MCULE-6337217524 [1,1,0,0,0,0|0,1,1]=4 1848 B6R0.3 N[C@@H](CS)C(=O)O MCULE-9685479191 [1,1,0,0,0,0|0,1,1]=4 1849 B6R0.3 N[C@H](CCl)C(=O)O MCULE-2647266636 [1,1,0,0,0,0|1,0,1]=4 1850 B6R0.3 N[C@H](CCl)C(=O)O MCULE-7797369596 [1,1,0,0,0,0|1,0,1]=4 1851 B6R0.3 N[C@H](CCl)C(=O)O MCULE-8133148482 [1,1,0,0,0,0|1,0,1]=4 1852 B6R0.3 N[C@H](CCl)C(=O)O MCULE-9324545858 [1,1,0,0,0,0|1,0,1]=4 1853 B6R0.3 N[C@H](CF)C(=O)O MCULE-4766495272 [1,1,0,0,0,0|1,0,1]=4 1854 B6R0.3 N[C@H](CF)C(=O)O MCULE-7679315401 [1,1,0,0,0,0|1,0,1]=4 1855 B6R0.3 N[C@H](CO)C(=O)O MCULE-3271603208 [1,1,0,0,0,0|0,0,2]=4 1856 B6R0.3 N[C@H](CO)C(=O)O MCULE-8560981570 [1,1,0,0,0,0|0,0,2]=4 1857 B6R0.3 N[C@H](CS)C(=O)O MCULE-2137827959 [1,1,0,0,0,0|0,1,1]=4 1858 B6R0.3 N[C@H](CS)C(=O)O MCULE-4521387126 [1,1,0,0,0,0|0,1,1]=4 1859 B6R0.3 N[C@H](CS)C(=O)O MCULE-7201506202 [1,1,0,0,0,0|0,1,1]=4 1860 B6R0.3 N[C@H](CS)C(=O)O MCULE-9147562606 [1,1,0,0,0,0|0,1,1]=4 1861 B6R0.3 O=C(O)/C(=C/Cl)/Cl MCULE-4317518344 [1,1,0,0,0,0|1,0,1]=4 1862 B6R0.3 O=C(O)C(=CCl)Cl MCULE-2693859334 [1,1,0,0,0,0|1,0,1]=4 1863 B6R0.3 O=C(O)C(Br)CBr MCULE-9991448725 [1,1,0,0,0,0|1,0,1]=4 1864 B6R0.3 O=C(O)C(Br)CF MCULE-6577995297 [1,1,0,0,0,0|1,0,1]=4 1865 B6R0.3 O=C(O)C(Br)CO MCULE-9060407295 [1,1,0,0,0,0|0,0,2]=4 1866 B6R0.3 O=C(O)C(Cl)CCl MCULE-4757238565 [1,1,0,0,0,0|1,0,1]=4 1867 B6R0.3 O=C(O)C(Cl)CO MCULE-3671026398 [1,1,0,0,0,0|0,0,2]=4 1868 B6R0.3 O=C(O)C(F)CF MCULE-4323199927 [1,1,0,0,0,0|1,0,1]=4 1869 B6R0.3 O=C(O)C(O)CBr MCULE-2600199692 [1,1,0,0,0,0|1,0,1]=4 1870 B6R0.3 O=C(O)C(O)CCl MCULE-6346810624 [1,1,0,0,0,0|1,0,1]=4 1871 B6R0.3 O=C(O)C(O)CO MCULE-3634533503 [1,1,0,0,0,0|0,0,2]=4 1872 B6R0.3 O=C(O)[C@@H](Br)CO MCULE-4486884639 [1,1,0,0,0,0|0,0,2]=4 1873 B6R0.3 O=C(O)[C@@H](Br)CO MCULE-8586594526 [1,1,0,0,0,0|0,0,2]=4 1874 B6R0.3 O=C(O)[C@@H](O)CCl MCULE-4927034524 [1,1,0,0,0,0|1,0,1]=4 1875 B6R0.3 O=C(O)[C@@H](O)CO MCULE-4917119993 [1,1,0,0,0,0|0,0,2]=4 1876 B6R0.3 O=C(O)[C@@H](O)CO MCULE-7996851129 [1,1,0,0,0,0|0,0,2]=4 1877 B6R0.3 O=C(O)[C@H](Br)CO MCULE-3770944978 [1,1,0,0,0,0|0,0,2]=4 1878 B6R0.3 O=C(O)[C@H](Br)CO MCULE-6926119866 [1,1,0,0,0,0|0,0,2]=4 1879 B6R0.3 O=C(O)[C@H](O)CF MCULE-4453713074 [1,1,0,0,0,0|1,0,1]=4 1880 B6R0.3 O=C([O-])[C@@H](O)CO MCULE-4498291090 [1,1,0,0,0,0|1,0,1]=4 1881 B6R0.3 [C@@H](N)(C=C)C(=O)O MCULE-9406839633 [1,1,0,0,0,0|0,0,1]=3 1882 B6R0.3 [C@@H](N)(CN)C(=O)O MCULE-2844054083 [1,1,0,0,0,0|1,0,1]=4 1883 B6R0.3 [C@H](C)(NC)C(=O)O MCULE-3677465746 [1,1,0,0,0,0|1,0,0]=3 1884 B6R0.3 [C@H](N)(CO)C(=O)N MCULE-2792784400 [1,1,0,0,0,0|1,0,1]=4 1885 B6R0.3 [C@H](S)(CC)C(=O)O MCULE-4267293279 [1,1,0,0,0,0|0,0,1]=3 1886 B6R0.3 [SeH]C[C@H](N)C(=O)O MCULE-8205075370 [1,1,0,0,0,0|0,1,1]=4 1887 B6R0.4 C#CCCC(=O)C MCULE-8723638688 [1,1,0,0,0,0|1,0,1]=4 1888 B6R0.4 C#CCCC(=O)O MCULE-6669146060 [1,1,0,0,0,0|0,0,2]=4 1889 B6R0.4 C#CCNC(=O)C MCULE-1159984782 [1,1,0,0,0,0|1,0,1]=4 1890 B6R0.4 C#CCOC(=O)C MCULE-5002994323 [1,1,0,0,0,0|1,0,1]=4 1891 B6R0.4 C/C=C/CC(=O)Cl MCULE-5377125313 [1,1,0,0,0,0|1,0,0]=3 1892 B6R0.4 C/C=C/CC(=O)N MCULE-1942934157 [1,1,0,0,0,0|1,0,0]=3 1893 B6R0.4 C/C=C/CC(=O)O MCULE-4626577048 [1,1,0,0,0,0|0,0,0]=2 1894 B6R0.4 C/C=N/NC(=O)N MCULE-5855402964 [1,1,0,0,0,0|2,0,0]=4 1895 B6R0.4 C=C(C)CCCO MCULE-4629274490 [1,1,0,0,0,0|1,0,1]=4 1896 B6R0.4 C=C/C=C/C(=O)O MCULE-7975593411 [1,1,0,0,0,0|0,0,2]=4 1897 B6R0.4 C=C=CCC(=O)O MCULE-2611659307 [1,1,0,0,0,0|0,0,1]=3 1898 B6R0.4 C=CC=CC(=O)O MCULE-5189540617 [1,1,0,0,0,0|0,0,2]=4 1899 B6R0.4 C=CCCC(=C)C MCULE-2323382963 [1,1,0,0,0,0|2,0,0]=4 1900 B6R0.4 C=CCCC(=O)C MCULE-9598399930 [1,1,0,0,0,0|1,0,0]=3 1901 B6R0.4 C=CCCC(=O)Cl MCULE-7378353157 [1,1,0,0,0,0|1,0,1]=4 1902 B6R0.4 C=CCCC(=O)N MCULE-7202462484 [1,1,0,0,0,0|1,0,1]=4 1903 B6R0.4 C=CCCC(=O)O MCULE-6221951425 [1,1,0,0,0,0|0,0,1]=3 1904 B6R0.4 C=CCNC(=O)C MCULE-7903624915 [1,1,0,0,0,0|1,0,0]=3 1905 B6R0.4 C=CCNC(=O)N MCULE-1210131291 [1,1,0,0,0,0|1,0,1]=4 1906 B6R0.4 C=CCOC(=O)C MCULE-9991130828 [1,1,0,0,0,0|1,0,0]=3 1907 B6R0.4 C=CCOC(=O)Cl MCULE-3513251417 [1,1,0,0,0,0|1,0,1]=4 1908 B6R0.4 C=CCOC(=O)N MCULE-4119124558 [1,1,0,0,0,0|1,0,1]=4 1909 B6R0.4 C=CNCC(=O)O MCULE-5142273921 [1,1,0,0,0,0|0,0,1]=3 1910 B6R0.4 CC#CCC(=O)O MCULE-8576178825 [1,1,0,0,0,0|0,0,1]=3 1911 B6R0.4 CC(=CCCO)C MCULE-2493404466 [1,1,0,0,0,0|1,0,1]=4 1912 B6R0.4 CC(=CCCO)C MCULE-8497528596 [1,1,0,0,0,0|1,0,1]=4 1913 B6R0.4 CC(=NNC=O)C MCULE-6194074981 [1,1,0,0,0,0|2,0,0]=4 1914 B6R0.4 CC(=O)CCC#N MCULE-6810756363 [1,1,0,0,0,0|1,0,1]=4 1915 B6R0.4 CC(=O)CCC=O MCULE-4767690464 [1,1,0,0,0,0|0,0,0]=2 1916 B6R0.4 CC(=O)CCCBr MCULE-7143092097 [1,1,0,0,0,0|1,0,1]=4 1917 B6R0.4 CC(=O)CCCCl MCULE-7158553745 [1,1,0,0,0,0|1,0,1]=4 1918 B6R0.4 CC(=O)CCCO MCULE-1335342150 [1,1,0,0,0,0|0,0,1]=3 1919 B6R0.4 CC(=O)CSC#N MCULE-5774397655 [1,1,0,0,0,0|1,0,1]=4 1920 B6R0.4 CC(=O)NCC#N MCULE-2345227602 [1,1,0,0,0,0|1,0,1]=4 1921 B6R0.4 CC(=O)NCCCl MCULE-7865062188 [1,1,0,0,0,0|1,0,1]=4 1922 B6R0.4 CC(=O)NCCN MCULE-2230084818 [1,1,0,0,0,0|1,0,1]=4 1923 B6R0.4 CC(=O)NCCO MCULE-5968518415 [1,1,0,0,0,0|0,0,1]=3 1924 B6R0.4 CC(=O)NCCS MCULE-3345813615 [1,1,0,0,0,0|0,1,1]=4 1925 B6R0.4 CC(=O)OCC#N MCULE-4866082576 [1,1,0,0,0,0|1,0,1]=4 1926 B6R0.4 CC(=O)OCCBr MCULE-3760449773 [1,1,0,0,0,0|1,0,1]=4 1927 B6R0.4 CC(=O)OCCCl MCULE-4570139017 [1,1,0,0,0,0|1,0,1]=4 1928 B6R0.4 CC(=O)OCCN MCULE-4530529900 [1,1,0,0,0,0|1,0,1]=4 1929 B6R0.4 CC(=O)OCCN MCULE-6854340494 [1,1,0,0,0,0|1,0,1]=4 1930 B6R0.4 CC(=O)OCCO MCULE-1251660436 [1,1,0,0,0,0|0,0,1]=3 1931 B6R0.4 CC(=O)SCC#N MCULE-5864559051 [1,1,0,0,0,0|1,0,1]=4 1932 B6R0.4 CC(=O)SCCBr MCULE-1786480878 [1,1,0,0,0,0|1,0,1]=4 1933 B6R0.4 CC(=O)SCCN MCULE-3819903256 [1,1,0,0,0,0|1,0,1]=4 1934 B6R0.4 CC(=O)SCCN MCULE-4872130470 [1,1,0,0,0,0|1,0,1]=4 1935 B6R0.4 CC(=O)SCCN MCULE-7084821345 [1,1,0,0,0,0|1,0,1]=4 1936 B6R0.4 CC(C)CCC=O MCULE-9664145623 [1,1,0,0,0,0|1,0,1]=4 1937 B6R0.4 CC(C)CNC=O MCULE-2156996206 [1,1,0,0,0,0|1,0,1]=4 1938 B6R0.4 CC(C)COC=O MCULE-8234906771 [1,1,0,0,0,0|1,0,1]=4 1939 B6R0.4 CC(C)OCC=O MCULE-5974054323 [1,1,0,0,0,0|1,0,1]=4 1940 B6R0.4 CC(C)SCC=O MCULE-3174965592 [1,1,0,0,0,0|1,0,1]=4 1941 B6R0.4 CC/C=C/C(=O)Cl MCULE-8929214872 [1,1,0,0,0,0|1,0,1]=4 1942 B6R0.4 CC/C=C/C(=O)O MCULE-4888215476 [1,1,0,0,0,0|0,0,1]=3 1943 B6R0.4 CC=CCC(=O)O MCULE-9174714653 [1,1,0,0,0,0|0,0,0]=2 1944 B6R0.4 CC=NNC(=O)N MCULE-3878774235 [1,1,0,0,0,0|2,0,0]=4 1945 B6R0.4 CCC#CC(=O)O MCULE-1053283381 [1,1,0,0,0,0|0,0,2]=4 1946 B6R0.4 CCC=CC(=O)C MCULE-2986269826 [1,1,0,0,0,0|1,0,1]=4 1947 B6R0.4 CCC=CC(=O)Cl MCULE-5159865849 [1,1,0,0,0,0|1,0,1]=4 1948 B6R0.4 CCC=CC(=O)O MCULE-3920494238 [1,1,0,0,0,0|0,0,1]=3 1949 B6R0.4 CCCCC(=O)Br MCULE-2980405081 [1,1,0,0,0,0|1,0,1]=4 1950 B6R0.4 CCCCC(=O)C MCULE-3554390184 [1,1,0,0,0,0|1,0,1]=4 1951 B6R0.4 CCCCC(=O)Cl MCULE-3875407102 [1,1,0,0,0,0|1,0,1]=4 1952 B6R0.4 CCCCC(=O)N MCULE-6419483436 [1,1,0,0,0,0|1,0,1]=4 1953 B6R0.4 CCCCC(=O)O MCULE-2333640078 [1,1,0,0,0,0|0,0,1]=3 1954 B6R0.4 CCCCC(=O)[O-] MCULE-4817107962 [1,1,0,0,0,0|0,0,2]=4 1955 B6R0.4 CCCNC(=O)C MCULE-5899703886 [1,1,0,0,0,0|1,0,1]=4 1956 B6R0.4 CCCNC(=O)Cl MCULE-2937184966 [1,1,0,0,0,0|1,0,1]=4 1957 B6R0.4 CCCNC(=O)N MCULE-8528844765 [1,1,0,0,0,0|1,0,1]=4 1958 B6R0.4 CCCOC(=O)C MCULE-7327042566 [1,1,0,0,0,0|1,0,1]=4 1959 B6R0.4 CCCOC(=O)Cl MCULE-1312686139 [1,1,0,0,0,0|1,0,1]=4 1960 B6R0.4 CCCOC(=O)N MCULE-2760622567 [1,1,0,0,0,0|1,0,1]=4 1961 B6R0.4 CCCSC(=O)C MCULE-4329646671 [1,1,0,0,0,0|1,0,1]=4 1962 B6R0.4 CCCSC(=O)Cl MCULE-5971141999 [1,1,0,0,0,0|1,0,1]=4 1963 B6R0.4 CCNCC(=O)C MCULE-5799315547 [1,1,0,0,0,0|1,0,1]=4 1964 B6R0.4 CCNCC(=O)C MCULE-9258294157 [1,1,0,0,0,0|1,0,1]=4 1965 B6R0.4 CCNCC(=O)N MCULE-1787248899 [1,1,0,0,0,0|1,0,1]=4 1966 B6R0.4 CCNCC(=O)N MCULE-3821700273 [1,1,0,0,0,0|1,0,1]=4 1967 B6R0.4 CCNCC(=O)O MCULE-5989480216 [1,1,0,0,0,0|0,0,1]=3 1968 B6R0.4 CCNCC(=O)O MCULE-8087863397 [1,1,0,0,0,0|0,0,1]=3 1969 B6R0.4 CCOCC(=O)C MCULE-2825677443 [1,1,0,0,0,0|1,0,1]=4 1970 B6R0.4 CCOCC(=O)Cl MCULE-2172268229 [1,1,0,0,0,0|1,0,1]=4 1971 B6R0.4 CCOCC(=O)O MCULE-1726530898 [1,1,0,0,0,0|0,0,1]=3 1972 B6R0.4 CCSCC(=O)C MCULE-9872082780 [1,1,0,0,0,0|1,0,1]=4 1973 B6R0.4 CCSCC(=O)O MCULE-7471335718 [1,1,0,0,0,0|0,0,1]=3 1974 B6R0.4 CN(C)CCC=O MCULE-6830649526 [1,1,0,0,0,0|2,0,0]=4 1975 B6R0.4 CNCCC(=O)N MCULE-1118876220 [1,1,0,0,0,0|1,0,1]=4 1976 B6R0.4 CNCCC(=O)N MCULE-6679713144 [1,1,0,0,0,0|1,0,1]=4 1977 B6R0.4 CNCCC(=O)O MCULE-3627988097 [1,1,0,0,0,0|0,0,1]=3 1978 B6R0.4 CNCCC(=O)O MCULE-9858204248 [1,1,0,0,0,0|0,0,1]=3 1979 B6R0.4 CO/C=C/C(=O)C MCULE-1215649803 [1,1,0,0,0,0|0,0,1]=3 1980 B6R0.4 CO/C=C/C(=O)O MCULE-3681049176 [1,1,0,0,0,0|0,0,1]=3 1981 B6R0.4 COC=CC(=O)C MCULE-4868833764 [1,1,0,0,0,0|0,0,1]=3 1982 B6R0.4 COC=CC(=O)Cl MCULE-4966577139 [1,1,0,0,0,0|1,0,1]=4 1983 B6R0.4 COC=CC(=O)O MCULE-4252899122 [1,1,0,0,0,0|0,0,1]=3 1984 B6R0.4 COCCC(=O)C MCULE-5939812376 [1,1,0,0,0,0|0,0,1]=3 1985 B6R0.4 COCCC(=O)Cl MCULE-9454266286 [1,1,0,0,0,0|1,0,1]=4 1986 B6R0.4 COCCC(=O)N MCULE-7556483675 [1,1,0,0,0,0|1,0,1]=4 1987 B6R0.4 COCCC(=O)O MCULE-3436347115 [1,1,0,0,0,0|0,0,1]=3 1988 B6R0.4 COCNC(=O)N MCULE-8367032240 [1,1,0,0,0,0|2,0,0]=4 1989 B6R0.4 COCOC(=O)C MCULE-8876091916 [1,1,0,0,0,0|1,0,1]=4 1990 B6R0.4 CON=CC(=O)O MCULE-6800819509 [1,1,0,0,0,0|1,0,1]=4 1991 B6R0.4 CSCCC(=O)C MCULE-6178663156 [1,1,0,0,0,0|0,1,1]=4 1992 B6R0.4 CSCCC(=O)Cl MCULE-9732512141 [1,1,0,0,0,0|1,0,1]=4 1993 B6R0.4 CSCCC(=O)N MCULE-7105035733 [1,1,0,0,0,0|1,0,1]=4 1994 B6R0.4 CSCCC(=O)O MCULE-9550032941 [1,1,0,0,0,0|0,0,1]=3 1995 B6R0.4 CSCOC(=O)C MCULE-1498769347 [1,1,0,0,0,0|2,0,0]=4 1996 B6R0.4 CSSCC(=O)O MCULE-5829510166 [1,1,0,0,0,0|1,0,0]=3 1997 B6R0.4 N#CC=CC(=O)O MCULE-9790502930 [1,1,0,0,0,0|0,0,2]=4 1998 B6R0.4 N#CCCC(=O)O MCULE-3165189228 [1,1,0,0,0,0|0,0,2]=4 1999 B6R0.4 N#C[Se]CC(=O)O MCULE-1382907788 [1,1,0,0,0,0|1,0,1]=4 2000 B6R0.4 N#N=NCC(=O)O MCULE-3031425162 [1,1,0,0,0,0|2,0,0]=4 2001 B6R0.4 NC(=O)CCCCl MCULE-2774705212 [1,1,0,0,0,0|1,0,1]=4 2002 B6R0.4 NC(=O)CCCO MCULE-3779341561 [1,1,0,0,0,0|1,0,1]=4 2003 B6R0.4 NC(=O)NCCO MCULE-2353513655 [1,1,0,0,0,0|1,0,1]=4 2004 B6R0.4 NC(=O)OCCO MCULE-7565460845 [1,1,0,0,0,0|1,0,1]=4 2005 B6R0.4 NC/C=C/C(=O)O MCULE-1249244912 [1,1,0,0,0,0|0,0,1]=3 2006 B6R0.4 NCC#CC(=O)O MCULE-8511125702 [1,1,0,0,0,0|0,0,2]=4 2007 B6R0.4 NCC=CC(=O)O MCULE-3049811576 [1,1,0,0,0,0|0,0,1]=3 2008 B6R0.4 NCC=CC(=O)O MCULE-5171717036 [1,1,0,0,0,0|0,0,1]=3 2009 B6R0.4 NCCCC(=O)Cl MCULE-1312882775 [1,1,0,0,0,0|1,0,1]=4 2010 B6R0.4 NCCCC(=O)Cl MCULE-6405362906 [1,1,0,0,0,0|1,0,1]=4 2011 B6R0.4 NCCCC(=O)N MCULE-8039142092 [1,1,0,0,0,0|1,0,1]=4 2012 B6R0.4 NCCCC(=O)N MCULE-8262250872 [1,1,0,0,0,0|1,0,1]=4 2013 B6R0.4 NCCCC(=O)O MCULE-3615304273 [1,1,0,0,0,0|0,0,1]=3 2014 B6R0.4 NCCCC(=O)O MCULE-7613134021 [1,1,0,0,0,0|0,0,1]=3 2015 B6R0.4 NOCCC(=O)O MCULE-1529492904 [1,1,0,0,0,0|0,0,2]=4 2016 B6R0.4 NOCCC(=O)O MCULE-6297331357 [1,1,0,0,0,0|0,0,2]=4 2017 B6R0.4 O=C(Cl)CCCBr MCULE-1389049838 [1,1,0,0,0,0|1,0,1]=4 2018 B6R0.4 O=C(Cl)CCCCl MCULE-5885932072 [1,1,0,0,0,0|1,0,1]=4 2019 B6R0.4 O=C(O)/C=C/CBr MCULE-2012997584 [1,1,0,0,0,0|0,0,1]=3 2020 B6R0.4 O=C(O)/C=C/CCl MCULE-5651159998 [1,1,0,0,0,0|0,0,1]=3 2021 B6R0.4 O=C(O)/C=C/CO MCULE-1612823053 [1,1,0,0,0,0|0,0,1]=3 2022 B6R0.4 O=C(O)C#CCCl MCULE-6341675394 [1,1,0,0,0,0|0,0,2]=4 2023 B6R0.4 O=C(O)C#CCF MCULE-8744045229 [1,1,0,0,0,0|0,0,2]=4 2024 B6R0.4 O=C(O)C#CCO MCULE-1849362182 [1,1,0,0,0,0|0,0,2]=4 2025 B6R0.4 O=C(O)C=CCBr MCULE-3029375430 [1,1,0,0,0,0|0,0,1]=3 2026 B6R0.4 O=C(O)C=CCCl MCULE-1050913038 [1,1,0,0,0,0|0,0,1]=3 2027 B6R0.4 O=C(O)C=CCO MCULE-3375515425 [1,1,0,0,0,0|0,0,1]=3 2028 B6R0.4 O=C(O)CCCBr MCULE-5669825022 [1,1,0,0,0,0|0,0,1]=3 2029 B6R0.4 O=C(O)CCCCl MCULE-7721427391 [1,1,0,0,0,0|0,0,1]=3 2030 B6R0.4 O=C(O)CCCF MCULE-2415675768 [1,1,0,0,0,0|0,0,1]=3 2031 B6R0.4 O=C(O)CCCI MCULE-7794841553 [1,1,0,0,0,0|0,0,1]=3 2032 B6R0.4 O=C(O)CCCS MCULE-3352840152 [1,1,0,0,0,0|0,0,1]=3 2033 B6R0.4 O=C(O)CNCO MCULE-4092998319 [1,1,0,0,0,0|1,0,0]=3 2034 B6R0.4 O=C([O-])CCCCl MCULE-4131322715 [1,1,0,0,0,0|0,0,2]=4 2035 B6R0.4 O=C([O-])CNCO MCULE-2804068565 [1,1,0,0,0,0|1,0,1]=4 2036 B6R0.4 O=CCCC(=O)O MCULE-7183864722 [1,1,0,0,0,0|0,0,0]=2 2037 B6R0.4 O=CCCN(=O)=O MCULE-3692892497 [1,1,0,0,0,0|1,0,1]=4 2038 B6R0.4 O=CNCC(=O)O MCULE-3251128290 [1,1,0,0,0,0|0,0,0]=2 2039 B6R0.5 C/C=C\P(=O)(O)O MCULE-8382984782 [1,1,0,0,0,0|1,0,1]=4 2040 B6R0.5 C=CCS(=O)(=O)C MCULE-8490929862 [1,1,0,0,0,0|2,0,0]=4 2041 B6R0.5 C=CCS(=O)(=O)O MCULE-2373600268 [1,1,0,0,0,0|1,0,1]=4 2042 B6R0.5 CC(C)(C)CC=O MCULE-6726853595 [1,1,0,0,0,0|1,0,1]=4 2043 B6R0.5 CC=CP(=O)(O)O MCULE-3593796042 [1,1,0,0,0,0|1,0,1]=4 2044 B6R0.5 CCCP(=O)(O)O MCULE-3928382731 [1,1,0,0,0,0|1,0,1]=4 2045 B6R0.5 CCCS(=O)(=O)O MCULE-5213264344 [1,1,0,0,0,0|1,0,1]=4 2046 B6R0.5 CNCP(=O)(O)O MCULE-6684762988 [1,1,0,0,0,0|2,0,0]=4 2047 B6R0.5 CS(=N)(=O)CCO MCULE-8018746796 [1,1,0,0,0,0|1,0,1]=4 2048 B6R0.5 CS(=O)(=O)CCO MCULE-1589351176 [1,1,0,0,0,0|1,0,1]=4 2049 B6R0.5 C[N+](C)(C)CC=O MCULE-1973623516 [1,1,0,0,0,0|2,0,0]=4 2050 B6R0.5 C[N+](C)(C)CC=O MCULE-6964542865 [1,1,0,0,0,0|2,0,0]=4 2051 B6R0.5 O=CCS(=O)(=O)O MCULE-1262210475 [1,1,0,0,0,0|1,0,0]=3 2052 B6R0.5 O=CCS(=O)(=O)[O-] MCULE-2577471949 [1,1,0,0,0,0|1,0,1]=4 2053 B6R0.7 C=C(C)P(=O)(O)O MCULE-4023318169 [0,1,0,0,1,0|2,0,0]=4 2054 B6R0.7 CC(=O)C(C)(C)O MCULE-1535627387 [0,1,0,0,1,0|1,0,1]=4 2055 B6R0.7 CC(Br)(Br)C(=O)O MCULE-1654765678 [0,1,0,0,1,0|1,0,1]=4 2056 B6R0.7 CC(C)(Br)C(=O)O MCULE-9443967216 [0,1,0,0,1,0|1,0,1]=4 2057 B6R0.7 CC(C)(C)C(=O)O MCULE-7166067227 [0,1,0,0,1,0|1,0,1]=4 2058 B6R0.7 CC(C)(Cl)C(=O)O MCULE-4744644193 [0,1,0,0,1,0|1,0,1]=4 2059 B6R0.7 CC(C)(F)C(=O)O MCULE-9323110637 [0,1,0,0,1,0|1,0,1]=4 2060 B6R0.7 CC(C)(N)C(=O)O MCULE-4254251799 [0,1,0,0,1,0|1,0,1]=4 2061 B6R0.7 CC(C)(N)C(=O)O MCULE-6175880842 [0,1,0,0,1,0|1,0,1]=4 2062 B6R0.7 CC(C)(O)C(=O)O MCULE-4093617756 [0,1,0,0,1,0|0,0,2]=4 2063 B6R0.7 CC(C)(S)C(=O)O MCULE-1863706684 [0,1,0,0,1,0|0,1,1]=4 2064 B6R0.7 CC(Cl)(Cl)C(=O)O MCULE-8201912740 [0,1,0,0,1,0|1,0,1]=4 2065 B6R0.7 CC(F)(Br)C(=O)O MCULE-5584369540 [0,1,0,0,1,0|1,0,1]=4 2066 B6R0.7 CC(F)(F)C(=O)O MCULE-3936632737 [0,1,0,0,1,0|1,0,1]=4 2067 B6R0.7 O=C(O)P(=O)(O)O MCULE-6294437098 [0,1,0,0,1,0|2,0,0]=4 2068 B8R0.9 C(=CC(=O)NC)C(=O)O MCULE-6946307549 [0,1,0,0,0,1|0,0,1]=3 2069 B8R0.9 C=C(C)CNC(=S)OC MCULE-1057647049 [0,1,0,0,0,1|1,1,0]=4 2070 B8R0.9 C=CC(=CCC(=O)O)C MCULE-5960312667 [0,1,0,0,0,1|1,0,0]=3 2071 B8R0.9 C=CC(=O)COC(=O)C MCULE-1008872923 [0,1,0,0,0,1|1,0,0]=3 2072 B8R0.9 C=CC(=O)NCC(=O)N MCULE-4638561901 [0,1,0,0,0,1|1,0,1]=4 2073 B8R0.9 C=CC(=O)NCC(=O)O MCULE-6459513586 [0,1,0,0,0,1|0,0,1]=3 2074 B8R0.9 CC(=NO)CCC(=O)O MCULE-2481442220 [0,1,0,0,0,1|0,0,1]=3 2075 B8R0.9 CC(=O)CCN(C)N=O MCULE-9992314796 [0,1,0,0,0,1|2,0,0]=4 2076 B8R0.9 CC(=O)NC/C(=N\O)/N MCULE-6544551877 [0,1,0,0,0,1|1,0,0]=3 2077 B8R0.9 CC(=O)NCC(=O)NN MCULE-1688027287 [0,1,0,0,0,1|1,0,0]=3 2078 B8R0.9 CC(=O)NCC(O)CCl MCULE-4912177314 [0,1,0,0,0,1|1,0,1]=4 2079 B8R0.9 CC(=O)NC[C@H](O)CCl MCULE-5027407972 [0,1,0,0,0,1|1,0,1]=4 2080 B8R0.9 CC(=O)NNC(=O)CBr MCULE-4536348366 [0,1,0,0,0,1|2,0,0]=4 2081 B8R0.9 CC(=O)NNC(=O)CCl MCULE-7123176949 [0,1,0,0,0,1|2,0,0]=4 2082 B8R0.9 CC(=O)OCC(=O)CCl MCULE-5422965047 [0,1,0,0,0,1|1,0,0]=3 2083 B8R0.9 CC(=O)OCC(N)CO MCULE-3133254167 [0,1,0,0,0,1|1,0,1]=4 2084 B8R0.9 CC(=O)OCC(N)CO MCULE-4867842020 [0,1,0,0,0,1|1,0,1]=4 2085 B8R0.9 CC(=O)OCC(O)CCl MCULE-3591995437 [0,1,0,0,0,1|1,0,1]=4 2086 B8R0.9 CC(=O)OCC(O)CO MCULE-7518673015 [0,1,0,0,0,1|0,0,2]=4 2087 B8R0.9 CC(=O)OC[C@H](C)CO MCULE-2650760220 [0,1,0,0,0,1|1,0,1]=4 2088 B8R0.9 CC(=O)OC[C@H](C)CO MCULE-7616916740 [0,1,0,0,0,1|1,0,1]=4 2089 B8R0.9 CC(C#N)CCC(=O)O MCULE-6867167636 [0,1,0,0,0,1|1,0,1]=4 2090 B8R0.9 CC=C(C)C=CC(=O)O MCULE-4818681786 [0,1,0,0,0,1|1,0,1]=4 2091 B8R0.9 CCC(=CCC(=O)O)C MCULE-3358969895 [0,1,0,0,0,1|1,0,0]=3 2092 B8R0.9 CCC(=O)C=CC(=O)O MCULE-2770953486 [0,1,0,0,0,1|0,0,1]=3 2093 B8R0.9 CCC(=O)CCC(=O)C MCULE-7923444653 [0,1,0,0,0,1|1,0,0]=3 2094 B8R0.9 CCC(=O)CCC(=O)O MCULE-4505750030 [0,1,0,0,0,1|0,0,0]=2 2095 B8R0.9 CCC(=O)COC(=O)C MCULE-4876335377 [0,1,0,0,0,1|1,0,0]=3 2096 B8R0.9 CCC(=O)NCC(=O)O MCULE-9173889437 [0,1,0,0,0,1|0,0,0]=2 2097 B8R0.9 CCC(C)CCC(=O)O MCULE-9270270979 [0,1,0,0,0,1|1,0,1]=4 2098 B8R0.9 CCC(C)NCC(=O)O MCULE-1578825700 [0,1,0,0,0,1|1,0,1]=4 2099 B8R0.9 CCC(C)NCC(=O)O MCULE-8981987872 [0,1,0,0,0,1|1,0,1]=4 2100 B8R0.9 CCC(C)OCC(=O)O MCULE-8235265405 [0,1,0,0,0,1|1,0,1]=4 2101 B8R0.9 CCC(N)CCC(=O)O MCULE-3116763773 [0,1,0,0,0,1|1,0,1]=4 2102 B8R0.9 CCC(N)CCC(=O)O MCULE-9126260921 [0,1,0,0,0,1|1,0,1]=4 2103 B8R0.9 CCC(O)CCC(=O)O MCULE-1512608136 [0,1,0,0,0,1|0,0,2]=4 2104 B8R0.9 CCN(C)CCC(=O)O MCULE-2510720087 [0,1,0,0,0,1|2,0,0]=4 2105 B8R0.9 CCN(C)CCC(=O)O MCULE-4192684079 [0,1,0,0,0,1|2,0,0]=4 2106 B8R0.9 CCS(=O)CCC(=O)O MCULE-4027618720 [0,1,0,0,0,1|1,0,0]=3 2107 B8R0.9 CNC(=O)/C=C\C(=O)O MCULE-9272095560 [0,1,0,0,0,1|0,0,1]=3 2108 B8R0.9 CNC(=O)CCC(=O)O MCULE-8340443315 [0,1,0,0,0,1|0,0,0]=2 2109 B8R0.9 CNC(=O)CNC(=O)C MCULE-3508245247 [0,1,0,0,0,1|1,0,0]=3 2110 B8R0.9 CNC(=O)NCC(=O)O MCULE-9575946804 [0,1,0,0,0,1|0,0,0]=2 2111 B8R0.9 COC(=O)/C=C/C(=O)C MCULE-7597345789 [0,1,0,0,0,1|0,0,1]=3 2112 B8R0.9 COC(=O)/C=C/C(=O)N MCULE-9155646828 [0,1,0,0,0,1|1,0,1]=4 2113 B8R0.9 COC(=O)/C=C/C(=O)O MCULE-6611318809 [0,1,0,0,0,1|0,0,1]=3 2114 B8R0.9 COC(=O)/C=C\C(=O)O MCULE-6268249504 [0,1,0,0,0,1|0,0,1]=3 2115 B8R0.9 COC(=O)C=CC(=O)C MCULE-5746687781 [0,1,0,0,0,1|0,0,1]=3 2116 B8R0.9 COC(=O)C=CC(=O)Cl MCULE-8442342779 [0,1,0,0,0,1|1,0,1]=4 2117 B8R0.9 COC(=O)C=CC(=O)O MCULE-3111892186 [0,1,0,0,0,1|0,0,1]=3 2118 B8R0.9 COC(=O)CCC(=O)C MCULE-6324755148 [0,1,0,0,0,1|0,0,0]=2 2119 B8R0.9 COC(=O)CCC(=O)Cl MCULE-2684320402 [0,1,0,0,0,1|1,0,0]=3 2120 B8R0.9 COC(=O)CCC(=O)N MCULE-1154081515 [0,1,0,0,0,1|1,0,0]=3 2121 B8R0.9 COC(=O)CCC(=O)O MCULE-4083173324 [0,1,0,0,0,1|0,0,0]=2 2122 B8R0.9 COC(=O)CCC(=S)N MCULE-4037707510 [0,1,0,0,0,1|1,1,0]=4 2123 B8R0.9 COC(=O)CCN(=O)=O MCULE-3836108700 [0,1,0,0,0,1|1,0,1]=4 2124 B8R0.9 COC(=O)CCN(C)C MCULE-5967397518 [0,1,0,0,0,1|2,0,0]=4 2125 B8R0.9 COC(=O)CCS(=O)O MCULE-4935012562 [0,1,0,0,0,1|1,0,0]=3 2126 B8R0.9 COC(=O)CCS(=O)[O-] MCULE-5802411922 [0,1,0,0,0,1|1,0,1]=4 2127 B8R0.9 COC(=O)CNC(=O)C MCULE-3795072377 [0,1,0,0,0,1|0,0,0]=2 2128 B8R0.9 COC(=O)CNC(C)C MCULE-7232154394 [0,1,0,0,0,1|1,0,1]=4 2129 B8R0.9 COC(=O)COC(C)C MCULE-8327092817 [0,1,0,0,0,1|1,0,1]=4 2130 B8R0.9 COC(=O)CSC(=N)N MCULE-5721573915 [0,1,0,0,0,1|2,0,0]=4 2131 B8R0.9 COC(=O)CSC(=N)N MCULE-8534299006 [0,1,0,0,0,1|2,0,0]=4 2132 B8R0.9 COC(=O)CSC(C)C MCULE-9054714022 [0,1,0,0,0,1|1,0,1]=4 2133 B8R0.9 COC(=O)NCC(=O)C MCULE-1043877696 [0,1,0,0,0,1|0,0,0]=2 2134 B8R0.9 COC(=O)NCC(=O)O MCULE-3693365728 [0,1,0,0,0,1|0,0,0]=2 2135 B8R0.9 COC(=O)NCC(C)O MCULE-3862167665 [0,1,0,0,0,1|0,0,2]=4 2136 B8R0.9 COC(C)CCC(=O)O MCULE-5873043454 [0,1,0,0,0,1|0,0,2]=4 2137 B8R0.9 COC(C)COC(=O)C MCULE-7948047479 [0,1,0,0,0,1|1,0,1]=4 2138 B8R0.9 CSC(C)CCC(=O)O MCULE-3505570511 [0,1,0,0,0,1|0,1,1]=4 2139 B8R0.9 NCC(=O)CCC(=O)O MCULE-6371115085 [0,1,0,0,0,1|0,0,0]=2 2140 B8R0.9 NCC(=O)CCC(=O)O MCULE-8125179397 [0,1,0,0,0,1|0,0,0]=2 2141 B8R0.9 NCC(=O)CCC(=O)O MCULE-8676354165 [0,1,0,0,0,1|0,0,0]=2 2142 B8R0.9 NCC(=O)NCC(=O)N MCULE-8386571025 [0,1,0,0,0,1|1,0,0]=3 2143 B8R0.9 NCC(=O)NCC(=O)O MCULE-1239116894 [0,1,0,0,0,1|0,0,0]=2 2144 B8R0.9 NCC(=O)NCC(=O)O MCULE-2139302839 [0,1,0,0,0,1|0,0,0]=2 2145 B8R0.9 NCC(N)CCC(=O)O MCULE-1054409990 [0,1,0,0,0,1|1,0,1]=4 2146 B8R0.9 NC[C@@H](N)CCC(=O)O MCULE-2916881042 [0,1,0,0,0,1|1,0,1]=4 2147 B8R0.9 NC[C@@H](N)CCC(=O)O MCULE-7249154843 [0,1,0,0,0,1|1,0,1]=4 2148 B8R0.9 NNC(=O)CCC(=O)N MCULE-9710004878 [0,1,0,0,0,1|2,0,0]=4 2149 B8R0.9 NNC(=O)CCC(=O)O MCULE-7643180740 [0,1,0,0,0,1|1,0,0]=3 2150 B8R0.9 NNC(=O)CCC(=O)O MCULE-9888193887 [0,1,0,0,0,1|1,0,0]=3 2151 B8R0.9 NNC(=O)NCC(=O)O MCULE-6013763993 [0,1,0,0,0,1|1,0,0]=3 2152 B8R0.9 NNC(=O)NCC(=O)O MCULE-8104731063 [0,1,0,0,0,1|1,0,0]=3 2153 B8R0.9 N[C@H](CO)CCC(=O)O MCULE-1233079264 [0,1,0,0,0,1|1,0,1]=4 2154 B8R0.9 N[C@H](CO)CCC(=O)O MCULE-8091475267 [0,1,0,0,0,1|1,0,1]=4 2155 B8R0.9 O=C(O)CCC(=O)CBr MCULE-8373387398 [0,1,0,0,0,1|0,0,0]=2 2156 B8R0.9 O=C(O)CCC(=O)NO MCULE-2226202964 [0,1,0,0,0,1|1,0,0]=3 2157 B8R0.9 O=C(O)CCP(=O)CO MCULE-3163541128 [0,1,0,0,0,1|1,0,0]=3 2158 B8R0.9 O=C(O)CNC(=O)CCl MCULE-2917654196 [0,1,0,0,0,1|0,0,0]=2 2159 B8R0.9 O=C(O)COC(=O)CO MCULE-4022202206 [0,1,0,0,0,1|0,0,0]=2 2160 B8R0.23 C(=C(Br)C(=O)O)C(=O)O MCULE-1343964958 [0,1,0,0,0,1|1,0,1]=4 2161 B8R0.23 C(N)(CC(C)C)C(=O)O MCULE-7664540924 [0,1,0,0,0,1|1,0,1]=4 2162 B8R0.23 C(N)(CS(=O)C)C(=O)O MCULE-3320985154 [0,1,0,0,0,1|1,0,0]=3 2163 B8R0.23 C/C(=C/C(=O)O)/C(=O)O MCULE-9648210920 [0,1,0,0,0,1|1,0,1]=4 2164 B8R0.23 C/C(=C\C(=O)O)/C(=O)O MCULE-1060050416 [0,1,0,0,0,1|1,0,1]=4 2165 B8R0.23 C=C(Br)CC(N)C(=O)O MCULE-2311003313 [0,1,0,0,0,1|1,0,1]=4 2166 B8R0.23 C=C(Br)C[C@@H](N)C(=O)O MCULE-2061865879 [0,1,0,0,0,1|1,0,1]=4 2167 B8R0.23 C=C(Br)C[C@@H](N)C(=O)O MCULE-6617690939 [0,1,0,0,0,1|1,0,1]=4 2168 B8R0.23 C=C(Br)C[C@H](N)C(=O)O MCULE-2602336550 [0,1,0,0,0,1|1,0,1]=4 2169 B8R0.23 C=C(Br)C[C@H](N)C(=O)O MCULE-9274484893 [0,1,0,0,0,1|1,0,1]=4 2170 B8R0.23 C=C(C)C(N)CC(=O)O MCULE-5527747045 [0,1,0,0,0,1|1,0,0]=3 2171 B8R0.23 C=C(C)CC(C)C(=O)O MCULE-7268483710 [0,1,0,0,0,1|1,0,0]=3 2172 B8R0.23 C=C(C)CC(N)C(=O)O MCULE-5915882776 [0,1,0,0,0,1|1,0,0]=3 2173 B8R0.23 C=C(C)C[C@@H](N)C(=O)O MCULE-2841714882 [0,1,0,0,0,1|1,0,0]=3 2174 B8R0.23 C=C(C)C[C@H](C)C(=O)O MCULE-9053114079 [0,1,0,0,0,1|1,0,0]=3 2175 B8R0.23 C=C(C)C[C@H](N)C(=O)O MCULE-1029058491 [0,1,0,0,0,1|1,0,0]=3 2176 B8R0.23 C=C(C)C[C@H](N)C(=O)O MCULE-6974720260 [0,1,0,0,0,1|1,0,0]=3 2177 B8R0.23 C=C(C)[C@@H](O)CC(=O)O MCULE-9399932923 [0,1,0,0,0,1|1,0,0]=3 2178 B8R0.23 C=C(CC(=O)Cl)C(=O)Cl MCULE-5964382878 [0,1,0,0,0,1|2,0,0]=4 2179 B8R0.23 C=C(CC(=O)O)C(=O)O MCULE-5221256796 [0,1,0,0,0,1|1,0,0]=3 2180 B8R0.23 C=C(CC(C)C)C(=O)O MCULE-5929811654 [0,1,0,0,0,1|1,0,1]=4 2181 B8R0.23 C=C(CN(C)C)C(=O)O MCULE-9526642183 [0,1,0,0,0,1|2,0,0]=4 2182 B8R0.23 C=C(Cl)CC(N)C(=O)O MCULE-3498417929 [0,1,0,0,0,1|1,0,1]=4 2183 B8R0.23 C=C(Cl)CC(N)C(=O)O MCULE-7451890779 [0,1,0,0,0,1|1,0,1]=4 2184 B8R0.23 C=C(NC(=O)C)C(=O)O MCULE-6963284423 [0,1,0,0,0,1|0,0,1]=3 2185 B8R0.23 CC(=CC(=O)O)C(=O)O MCULE-9291663033 [0,1,0,0,0,1|1,0,1]=4 2186 B8R0.23 CC(=NC(=O)N)C(=O)O MCULE-5921330982 [0,1,0,0,0,1|1,0,1]=4 2187 B8R0.23 CC(=O)C(C)CC(=O)O MCULE-9095166615 [0,1,0,0,0,1|0,0,0]=2 2188 B8R0.23 CC(=O)C(N)CC(=O)O MCULE-7043175556 [0,1,0,0,0,1|0,0,0]=2 2189 B8R0.23 CC(=O)CC(C)C(=O)O MCULE-4640477792 [0,1,0,0,0,1|0,0,0]=2 2190 B8R0.23 CC(=O)CC(N)C(=O)O MCULE-6275652695 [0,1,0,0,0,1|0,0,0]=2 2191 B8R0.23 CC(=O)CC(N)C(=O)O MCULE-6690241894 [0,1,0,0,0,1|0,0,0]=2 2192 B8R0.23 CC(=O)CC(O)C(=O)C MCULE-3447949844 [0,1,0,0,0,1|1,0,0]=3 2193 B8R0.23 CC(=O)CC(O)C(=O)O MCULE-4728629069 [0,1,0,0,0,1|0,0,0]=2 2194 B8R0.23 CC(=O)N(C)CC(=O)O MCULE-1037482941 [0,1,0,0,0,1|0,0,0]=2 2195 B8R0.23 CC(=O)NC(=O)C(=O)N MCULE-2486343722 [0,1,0,0,0,1|1,0,1]=4 2196 B8R0.23 CC(=O)NC(C)C(=O)C MCULE-4672583112 [0,1,0,0,0,1|1,0,0]=3 2197 B8R0.23 CC(=O)NC(C)C(=O)O MCULE-1209958700 [0,1,0,0,0,1|0,0,0]=2 2198 B8R0.23 CC(=O)NC(C)C(=O)O MCULE-6844686208 [0,1,0,0,0,1|0,0,0]=2 2199 B8R0.23 CC(=O)N[C@@H](C)C(=O)Cl MCULE-1899336261 [0,1,0,0,0,1|1,0,0]=3 2200 B8R0.23 CC(=O)N[C@@H](C)C(=O)Cl MCULE-2242849037 [0,1,0,0,0,1|1,0,0]=3 2201 B8R0.23 CC(=O)N[C@@H](C)C(=O)N MCULE-9322824133 [0,1,0,0,0,1|1,0,0]=3 2202 B8R0.23 CC(=O)N[C@@H](C)C(=O)N MCULE-9348799148 [0,1,0,0,0,1|1,0,0]=3 2203 B8R0.23 CC(=O)N[C@@H](C)C(=O)O MCULE-7453059048 [0,1,0,0,0,1|0,0,0]=2 2204 B8R0.23 CC(=O)N[C@@H](C)C(=O)O MCULE-9637570463 [0,1,0,0,0,1|0,0,0]=2 2205 B8R0.23 CC(=O)N[C@H](C)C(=O)O MCULE-1908712348 [0,1,0,0,0,1|0,0,0]=2 2206 B8R0.23 CC(=O)N[C@H](C)C(=O)O MCULE-3023888296 [0,1,0,0,0,1|0,0,0]=2 2207 B8R0.23 CC(=O)OC(C)C(=O)C MCULE-7403314261 [0,1,0,0,0,1|1,0,0]=3 2208 B8R0.23 CC(=O)OC(C)C(=O)Cl MCULE-9987734584 [0,1,0,0,0,1|1,0,0]=3 2209 B8R0.23 CC(=O)OC(C)C(=O)O MCULE-6745958064 [0,1,0,0,0,1|0,0,0]=2 2210 B8R0.23 CC(=O)OC(C)C(=O)O MCULE-8940501529 [0,1,0,0,0,1|0,0,0]=2 2211 B8R0.23 CC(=O)O[C@@H](C)C(=O)Cl MCULE-6842776649 [0,1,0,0,0,1|1,0,0]=3 2212 B8R0.23 CC(=O)O[C@@H](C)C(=O)Cl MCULE-9564324053 [0,1,0,0,0,1|1,0,0]=3 2213 B8R0.23 CC(=O)O[C@@H](C)C(=O)O MCULE-7850132202 [0,1,0,0,0,1|0,0,0]=2 2214 B8R0.23 CC(=O)O[C@@H](C)C(=O)O MCULE-9087871033 [0,1,0,0,0,1|0,0,0]=2 2215 B8R0.23 CC(=O)O[C@@H](C)C(=S)N MCULE-3286144331 [0,1,0,0,0,1|1,1,0]=4 2216 B8R0.23 CC(=O)O[C@H](C)C(=O)Cl MCULE-4690787544 [0,1,0,0,0,1|1,0,0]=3 2217 B8R0.23 CC(=O)O[C@H](C)C(=O)Cl MCULE-6415823129 [0,1,0,0,0,1|1,0,0]=3 2218 B8R0.23 CC(=O)O[C@H](C)C(=O)O MCULE-3788243723 [0,1,0,0,0,1|0,0,0]=2 2219 B8R0.23 CC(=O)O[C@H](C)C(=O)O MCULE-8696299139 [0,1,0,0,0,1|0,0,0]=2 2220 B8R0.23 CC(C)C(=O)CC(=O)O MCULE-9781100715 [0,1,0,0,0,1|1,0,1]=4 2221 B8R0.23 CC(C)C(C)CC(=O)O MCULE-8256978568 [0,1,0,0,0,1|1,0,1]=4 2222 B8R0.23 CC(C)C(N)CC(=O)O MCULE-1591106639 [0,1,0,0,0,1|1,0,1]=4 2223 B8R0.23 CC(C)C(N)CC(=O)O MCULE-2785677086 [0,1,0,0,0,1|1,0,1]=4 2224 B8R0.23 CC(C)C(N)CC(=O)O MCULE-7741390676 [0,1,0,0,0,1|1,0,1]=4 2225 B8R0.23 CC(C)C(N)CC(=O)O MCULE-7820976140 [0,1,0,0,0,1|1,0,1]=4 2226 B8R0.23 CC(C)C(O)CC(=O)O MCULE-2577623422 [0,1,0,0,0,1|1,0,1]=4 2227 B8R0.23 CC(C)CC(=O)C(=O)O MCULE-4155006996 [0,1,0,0,0,1|1,0,1]=4 2228 B8R0.23 CC(C)CC(Br)C(=O)O MCULE-2778142655 [0,1,0,0,0,1|1,0,1]=4 2229 B8R0.23 CC(C)CC(Br)C(=O)O MCULE-7689846956 [0,1,0,0,0,1|1,0,1]=4 2230 B8R0.23 CC(C)CC(C)C(=O)O MCULE-7217536279 [0,1,0,0,0,1|1,0,1]=4 2231 B8R0.23 CC(C)CC(Cl)C(=O)O MCULE-6347367806 [0,1,0,0,0,1|1,0,1]=4 2232 B8R0.23 CC(C)CC(F)C(=O)O MCULE-6908911956 [0,1,0,0,0,1|1,0,1]=4 2233 B8R0.23 CC(C)CC(N)C(=O)O MCULE-2550986320 [0,1,0,0,0,1|1,0,1]=4 2234 B8R0.23 CC(C)CC(N)C(=O)O MCULE-7657212416 [0,1,0,0,0,1|1,0,1]=4 2235 B8R0.23 CC(C)CC(O)C(=O)O MCULE-3638762911 [0,1,0,0,0,1|1,0,1]=4 2236 B8R0.23 CC(C)CC(O)C(=O)O MCULE-4315013875 [0,1,0,0,0,1|1,0,1]=4 2237 B8R0.23 CC(C)C[C@@H](Br)C(=O)O MCULE-2325122781 [0,1,0,0,0,1|1,0,1]=4 2238 B8R0.23 CC(C)C[C@@H](Cl)C(=O)O MCULE-6797937420 [0,1,0,0,0,1|1,0,1]=4 2239 B8R0.23 CC(C)C[C@@H](N)C(=O)O MCULE-3041792060 [0,1,0,0,0,1|1,0,1]=4 2240 B8R0.23 CC(C)C[C@@H](N)C(=O)O MCULE-8280206722 [0,1,0,0,0,1|1,0,1]=4 2241 B8R0.23 CC(C)C[C@@H](O)C(=O)O MCULE-4108530385 [0,1,0,0,0,1|1,0,1]=4 2242 B8R0.23 CC(C)C[C@@H](O)C(=O)O MCULE-5253943571 [0,1,0,0,0,1|1,0,1]=4 2243 B8R0.23 CC(C)C[C@H](Br)C(=O)O MCULE-4423121396 [0,1,0,0,0,1|1,0,1]=4 2244 B8R0.23 CC(C)C[C@H](Br)C(=O)O MCULE-7601821889 [0,1,0,0,0,1|1,0,1]=4 2245 B8R0.23 CC(C)C[C@H](Cl)C(=O)O MCULE-1038344796 [0,1,0,0,0,1|1,0,1]=4 2246 B8R0.23 CC(C)C[C@H](Cl)C(=O)O MCULE-9007168250 [0,1,0,0,0,1|1,0,1]=4 2247 B8R0.23 CC(C)C[C@H](N)C(=O)O MCULE-4718215038 [0,1,0,0,0,1|1,0,1]=4 2248 B8R0.23 CC(C)C[C@H](N)C(=O)O MCULE-4930237913 [0,1,0,0,0,1|1,0,1]=4 2249 B8R0.23 CC(C)C[C@H](N)C(=O)O MCULE-8722899457 [0,1,0,0,0,1|1,0,1]=4 2250 B8R0.23 CC(C)C[C@H](O)C(=O)O MCULE-1740362996 [0,1,0,0,0,1|1,0,1]=4 2251 B8R0.23 CC(C)C[C@H](O)C(=O)O MCULE-4466965907 [0,1,0,0,0,1|1,0,1]=4 2252 B8R0.23 CC(C)N(C)CC(=O)O MCULE-7118433089 [0,1,0,0,0,1|1,0,1]=4 2253 B8R0.23 CC(C)N(C)CC(=O)O MCULE-8801372857 [0,1,0,0,0,1|1,0,1]=4 2254 B8R0.23 CC(C)NC(C)C(=O)O MCULE-1412835872 [0,1,0,0,0,1|1,0,1]=4 2255 B8R0.23 CC(C)NC(C)C(=O)O MCULE-5184634957 [0,1,0,0,0,1|1,0,1]=4 2256 B8R0.23 CC(C)OC(C)C(=O)O MCULE-6571129429 [0,1,0,0,0,1|1,0,1]=4 2257 B8R0.23 CC(C)SC(C)C(=O)O MCULE-1620493707 [0,1,0,0,0,1|1,0,1]=4 2258 B8R0.23 CC(C)[C@@H](N)CC(=O)O MCULE-4128027229 [0,1,0,0,0,1|1,0,1]=4 2259 B8R0.23 CC(C)[C@@H](N)CC(=O)O MCULE-5111030586 [0,1,0,0,0,1|1,0,1]=4 2260 B8R0.23 CC(C)[C@@H](N)CC(=O)O MCULE-7447469347 [0,1,0,0,0,1|1,0,1]=4 2261 B8R0.23 CC(C)[C@@H](N)CC(=O)O MCULE-8228659608 [0,1,0,0,0,1|1,0,1]=4 2262 B8R0.23 CC(C)[C@@H](O)CC(=O)O MCULE-6946774834 [0,1,0,0,0,1|1,0,1]=4 2263 B8R0.23 CC(C)[C@H](N)CC(=O)O MCULE-2362404476 [0,1,0,0,0,1|1,0,1]=4 2264 B8R0.23 CC(C)[C@H](N)CC(=O)O MCULE-4006103633 [0,1,0,0,0,1|1,0,1]=4 2265 B8R0.23 CC(C)[C@H](N)CC(=O)O MCULE-8085621397 [0,1,0,0,0,1|1,0,1]=4 2266 B8R0.23 CC(C)[C@H](N)CC(=O)O MCULE-8783742568 [0,1,0,0,0,1|1,0,1]=4 2267 B8R0.23 CC(CC(=O)Cl)C(=O)Cl MCULE-1409735811 [0,1,0,0,0,1|2,0,0]=4 2268 B8R0.23 CC(CC(=O)N)C(=O)O MCULE-8238400356 [0,1,0,0,0,1|1,0,0]=3 2269 B8R0.23 CC(CC(=O)O)C(=O)O MCULE-4824634360 [0,1,0,0,0,1|1,0,0]=3 2270 B8R0.23 CC(CC(=O)O)C(=O)O MCULE-8116748590 [0,1,0,0,0,1|1,0,0]=3 2271 B8R0.23 CC(CC(=O)O)N(C)C MCULE-5382425068 [0,1,0,0,0,1|2,0,0]=4 2272 B8R0.23 CC(CC(=O)O)N(C)C MCULE-9798996642 [0,1,0,0,0,1|2,0,0]=4 2273 B8R0.23 CC(CN(C)C)C(=O)O MCULE-7139783268 [0,1,0,0,0,1|2,0,0]=4 2274 B8R0.23 CC(CN(C)C)C(=O)O MCULE-7716649676 [0,1,0,0,0,1|2,0,0]=4 2275 B8R0.23 CC(CS(=O)C)C(=O)O MCULE-4855592077 [0,1,0,0,0,1|1,0,0]=3 2276 B8R0.23 CC(NC(=N)N)C(=O)O MCULE-1509115617 [0,1,0,0,0,1|2,0,0]=4 2277 B8R0.23 CC(NC(=O)N)C(=O)O MCULE-9370944250 [0,1,0,0,0,1|1,0,0]=3 2278 B8R0.23 CC(O)C(N)CC(=O)O MCULE-5161755443 [0,1,0,0,0,1|0,0,2]=4 2279 B8R0.23 CC(O)C(N)CC(=O)O MCULE-6370326858 [0,1,0,0,0,1|0,0,2]=4 2280 B8R0.23 CN(C)C(=O)CC(=O)O MCULE-6715213324 [0,1,0,0,0,1|2,0,0]=4 2281 B8R0.23 CN(C)CC(N)C(=O)O MCULE-4589211472 [0,1,0,0,0,1|2,0,0]=4 2282 B8R0.23 CN(C)CC(N)C(=O)O MCULE-4873136690 [0,1,0,0,0,1|2,0,0]=4 2283 B8R0.23 CN(C)CC(O)C(=O)O MCULE-2461037518 [0,1,0,0,0,1|2,0,0]=4 2284 B8R0.23 CN(C)C[C@@H](N)C(=O)O MCULE-7056570231 [0,1,0,0,0,1|2,0,0]=4 2285 B8R0.23 CN(C)C[C@H](N)C(=O)O MCULE-1155351106 [0,1,0,0,0,1|2,0,0]=4 2286 B8R0.23 CN(C)C[C@H](N)C(=O)O MCULE-2217543416 [0,1,0,0,0,1|2,0,0]=4 2287 B8R0.23 CN(C)C[C@H](N)C(=O)O MCULE-6989814495 [0,1,0,0,0,1|2,0,0]=4 2288 B8R0.23 CN(C)C[C@H](N)C(=O)O MCULE-7529109312 [0,1,0,0,0,1|2,0,0]=4 2289 B8R0.23 CN(C)C[C@H](O)C(=O)O MCULE-7629489364 [0,1,0,0,0,1|2,0,0]=4 2290 B8R0.23 CN(CC(=O)O)C(=N)N MCULE-3625061513 [0,1,0,0,0,1|2,0,0]=4 2291 B8R0.23 CN(CC(=O)O)C(=N)N MCULE-4950835709 [0,1,0,0,0,1|2,0,0]=4 2292 B8R0.23 CN(CC(=O)O)C(=N)N MCULE-5131797215 [0,1,0,0,0,1|2,0,0]=4 2293 B8R0.23 CN(CC(=O)O)C(=O)N MCULE-6739535875 [0,1,0,0,0,1|1,0,0]=3 2294 B8R0.23 CN(CC(=O)O)C(=S)S MCULE-1910105668 [0,1,0,0,0,1|1,1,0]=4 2295 B8R0.23 CS(=O)CC(N)C(=O)O MCULE-5699602621 [0,1,0,0,0,1|1,0,0]=3 2296 B8R0.23 CS(=O)C[C@@H](N)C(=O)O MCULE-8253087333 [0,1,0,0,0,1|1,0,0]=3 2297 B8R0.23 CS(=O)C[C@H](N)C(=O)O MCULE-5080098254 [0,1,0,0,0,1|1,0,0]=3 2298 B8R0.23 C[C@@H](CC(=O)O)C(=O)O MCULE-1711994689 [0,1,0,0,0,1|1,0,0]=3 2299 B8R0.23 C[C@@H](CC(=O)O)C(=O)O MCULE-6107805812 [0,1,0,0,0,1|1,0,0]=3 2300 B8R0.23 C[C@@H](CC(=O)O)N(C)C MCULE-7203350382 [0,1,0,0,0,1|2,0,0]=4 2301 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-1416044737 [0,1,0,0,0,1|0,0,2]=4 2302 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-2990511228 [0,1,0,0,0,1|0,0,2]=4 2303 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-3178455647 [0,1,0,0,0,1|0,0,2]=4 2304 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-4413833682 [0,1,0,0,0,1|0,0,2]=4 2305 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-7332826518 [0,1,0,0,0,1|0,0,2]=4 2306 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-7552978009 [0,1,0,0,0,1|0,0,2]=4 2307 B8R0.23 C[C@H](CC(=O)O)C(=O)O MCULE-2738295504 [0,1,0,0,0,1|1,0,0]=3 2308 B8R0.23 C[C@H](CC(=O)O)C(=O)O MCULE-4544789339 [0,1,0,0,0,1|1,0,0]=3 2309 B8R0.23 C[C@H](CC(=O)O)N(C)C MCULE-8459726256 [0,1,0,0,0,1|2,0,0]=4 2310 B8R0.23 C[C@H](Cl)C[C@H](N)C(=O)O MCULE-5195061270 [0,1,0,0,0,1|1,0,1]=4 2311 B8R0.23 C[C@H](Cl)C[C@H](N)C(=O)O MCULE-5975065356 [0,1,0,0,0,1|1,0,1]=4 2312 B8R0.23 C[C@H](NC(=O)N)C(=O)O MCULE-7947685696 [0,1,0,0,0,1|1,0,0]=3 2313 B8R0.23 C[C@H](O)[C@@H](N)CC(=O)O MCULE-8673070329 [0,1,0,0,0,1|0,0,2]=4 2314 B8R0.23 C[S@](=O)C[C@@H](N)C(=O)O MCULE-4004385080 [0,1,0,0,0,1|1,0,0]=3 2315 B8R0.23 NC(=O)C(N)CC(=O)O MCULE-2277575843 [0,1,0,0,0,1|1,0,0]=3 2316 B8R0.23 NC(=O)CC(Br)C(=O)O MCULE-2823539046 [0,1,0,0,0,1|1,0,0]=3 2317 B8R0.23 NC(=O)CC(N)C(=O)O MCULE-1395307434 [0,1,0,0,0,1|1,0,0]=3 2318 B8R0.23 NC(=O)C[C@@H](N)C(=O)N MCULE-7126009795 [0,1,0,0,0,1|2,0,0]=4 2319 B8R0.23 NC(=O)C[C@@H](N)C(=O)O MCULE-5685974579 [0,1,0,0,0,1|1,0,0]=3 2320 B8R0.23 NC(=O)C[C@@H](N)C(=O)O MCULE-6923060287 [0,1,0,0,0,1|1,0,0]=3 2321 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-3049784970 [0,1,0,0,0,1|2,0,0]=4 2322 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-6209092318 [0,1,0,0,0,1|2,0,0]=4 2323 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-7482170747 [0,1,0,0,0,1|2,0,0]=4 2324 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-8939291995 [0,1,0,0,0,1|2,0,0]=4 2325 B8R0.23 NC(=O)C[C@H](N)C(=O)O MCULE-1868046141 [0,1,0,0,0,1|1,0,0]=3 2326 B8R0.23 NC(=O)C[C@H](N)C(=O)O MCULE-8248953574 [0,1,0,0,0,1|1,0,0]=3 2327 B8R0.23 NC(=O)N(N)CC(=O)O MCULE-2553509411 [0,1,0,0,0,1|1,0,0]=3 2328 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-1924512659 [0,1,0,0,0,1|1,0,0]=3 2329 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-5836180326 [0,1,0,0,0,1|1,0,0]=3 2330 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-8799617587 [0,1,0,0,0,1|1,0,0]=3 2331 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-9477928215 [0,1,0,0,0,1|1,0,0]=3 2332 B8R0.23 NC(=O)[C@H](N)CC(=O)O MCULE-5316198498 [0,1,0,0,0,1|1,0,0]=3 2333 B8R0.23 NC(=O)[C@H](N)CC(=O)O MCULE-9833023193 [0,1,0,0,0,1|1,0,0]=3 2334 B8R0.23 NC(CC(=O)O)C(=O)O MCULE-1247865301 [0,1,0,0,0,1|1,0,0]=3 2335 B8R0.23 NC(CC(=O)O)C(=O)O MCULE-9328817309 [0,1,0,0,0,1|1,0,0]=3 2336 B8R0.23 NC(CC(=O)O)C(=O)[O-] MCULE-5149469296 [0,1,0,0,0,1|1,0,0]=3 2337 B8R0.23 NC(CC(=O)O)C(=O)[O-] MCULE-6655576025 [0,1,0,0,0,1|1,0,0]=3 2338 B8R0.23 NC(CC(=O)[O-])C(=O)O MCULE-9221777365 [0,1,0,0,0,1|1,0,0]=3 2339 B8R0.23 NC(CC(=O)[O-])C(=O)[O-] MCULE-5331717218 [0,1,0,0,0,1|1,0,1]=4 2340 B8R0.23 NC(CC(=O)[O-])C(=O)[O-] MCULE-5921707862 [0,1,0,0,0,1|1,0,1]=4 2341 B8R0.23 N[C@@H](CC(=O)O)C(=O)O MCULE-3710241722 [0,1,0,0,0,1|1,0,0]=3 2342 B8R0.23 N[C@@H](CC(=O)O)C(=O)O MCULE-6700641640 [0,1,0,0,0,1|1,0,0]=3 2343 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] MCULE-6196524297 [0,1,0,0,0,1|1,0,0]=3 2344 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)O MCULE-5793000569 [0,1,0,0,0,1|1,0,0]=3 2345 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-4019077430 [0,1,0,0,0,1|1,0,1]=4 2346 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-5586538224 [0,1,0,0,0,1|1,0,1]=4 2347 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-7845714288 [0,1,0,0,0,1|1,0,1]=4 2348 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-8320700728 [0,1,0,0,0,1|1,0,1]=4 2349 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-8905060145 [0,1,0,0,0,1|1,0,1]=4 2350 B8R0.23 N[C@@H](CS(=O)O)C(=O)O MCULE-6647925908 [0,1,0,0,0,1|2,0,0]=4 2351 B8R0.23 N[C@@H](CS(=O)O)C(=O)O MCULE-7596867929 [0,1,0,0,0,1|2,0,0]=4 2352 B8R0.23 N[C@H](CC(=O)O)C(=O)O MCULE-8102700760 [0,1,0,0,0,1|1,0,0]=3 2353 B8R0.23 O=C(O)/C=C(\F)/C(=O)O MCULE-5646698704 [0,1,0,0,0,1|1,0,1]=4 2354 B8R0.23 O=C(O)C=C(F)C(=O)O MCULE-9862154394 [0,1,0,0,0,1|1,0,1]=4 2355 B8R0.23 O=C(O)C=C(I)C(=O)O MCULE-3104454041 [0,1,0,0,0,1|1,0,1]=4 2356 B8R0.23 O=C(O)CC(=C(Cl)Cl)Cl MCULE-1048319494 [0,1,0,0,0,1|2,0,0]=4 2357 B8R0.23 O=C(O)CC(=O)C(=O)O MCULE-6059222019 [0,1,0,0,0,1|1,0,0]=3 2358 B8R0.23 O=C(O)CC(Br)C(=O)O MCULE-8178780603 [0,1,0,0,0,1|1,0,0]=3 2359 B8R0.23 O=C(O)CC(Cl)C(=O)O MCULE-6357456691 [0,1,0,0,0,1|1,0,0]=3 2360 B8R0.23 O=C(O)CC(F)C(=O)O MCULE-8433198001 [0,1,0,0,0,1|1,0,0]=3 2361 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-5852208511 [0,1,0,0,0,1|1,0,0]=3 2362 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-9713558868 [0,1,0,0,0,1|1,0,0]=3 2363 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-9924961830 [0,1,0,0,0,1|1,0,0]=3 2364 B8R0.23 O=C(O)CC(S)C(=O)O MCULE-7005300961 [0,1,0,0,0,1|1,0,0]=3 2365 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O MCULE-4598056907 [0,1,0,0,0,1|1,0,0]=3 2366 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O MCULE-7861798045 [0,1,0,0,0,1|1,0,0]=3 2367 B8R0.23 O=C(O)C[C@@H](O)C(=O)O MCULE-2239273084 [0,1,0,0,0,1|1,0,0]=3 2368 B8R0.23 O=C(O)C[C@@H](O)C(=O)O MCULE-4984266891 [0,1,0,0,0,1|1,0,0]=3 2369 B8R0.23 O=C(O)C[C@H](Br)C(=O)O MCULE-6763472515 [0,1,0,0,0,1|1,0,0]=3 2370 B8R0.23 O=C(O)C[C@H](Br)C(=O)O MCULE-7524683930 [0,1,0,0,0,1|1,0,0]=3 2371 B8R0.23 O=C(O)C[C@H](F)C(=O)O MCULE-9607625100 [0,1,0,0,0,1|1,0,0]=3 2372 B8R0.23 O=C(O)C[C@H](O)C(=O)O MCULE-8339271078 [0,1,0,0,0,1|1,0,0]=3 2373 B8R0.23 O=C(O)C[C@H](O)C(=O)O MCULE-8865188741 [0,1,0,0,0,1|1,0,0]=3 2374 B8R0.23 O=C(O)C[C@H](O)C(=O)[O-] MCULE-1033530810 [0,1,0,0,0,1|1,0,0]=3 2375 B8R0.23 O=C(O)C[C@H](S)C(=O)O MCULE-6393371024 [0,1,0,0,0,1|1,0,0]=3 2376 B8R0.23 OC(=O)CN(C(=O)N)N MCULE-5081763144 [0,1,0,0,0,1|1,0,0]=3 2377 B8R0.23 [C@@H](N)(CC(=O)O)C(=O)O MCULE-7899824165 [0,1,0,0,0,1|1,0,0]=3 2378 B8R0.23 [C@H](N)(CS(=O)C)C(=O)O MCULE-5084638505 [0,1,0,0,0,1|1,0,0]=3 2379 B8R0.23 [NH3+]C(CS(=O)[O-])C(=O)O MCULE-5293441756 [0,1,0,0,0,1|2,0,0]=4 2380 B8R0.23 [NH3+][C@@H](CC(=O)[O-])C(=O)[O-] MCULE-1215535631 [0,1,0,0,0,1|1,0,1]=4 2381 B8R0.29 CC(=O)CCC(C)(C)O MCULE-8412947781 [0,1,0,0,0,1|1,0,1]=4 2382 B8R0.29 CC(=O)CCS(=O)(=O)C MCULE-3749048069 [0,1,0,0,0,1|1,0,1]=4 2383 B8R0.29 CC(=O)CNS(=O)(=O)C MCULE-3357245714 [0,1,0,0,0,1|1,0,1]=4 2384 B8R0.29 CC(=O)COS(=O)(=O)C MCULE-9016144725 [0,1,0,0,0,1|1,0,1]=4 2385 B8R0.29 CC(=O)NCP(=O)(O)O MCULE-6441383987 [0,1,0,0,0,1|1,0,0]=3 2386 B8R0.29 CC(C)(C)CCC(=O)O MCULE-8929874481 [0,1,0,0,0,1|1,0,1]=4 2387 B8R0.29 CC(C)(C)NCC(=O)O MCULE-1149308055 [0,1,0,0,0,1|1,0,1]=4 2388 B8R0.29 CC(C)(C)NCC(=O)O MCULE-9781967875 [0,1,0,0,0,1|1,0,1]=4 2389 B8R0.29 CC(C)(C)OCC(=O)O MCULE-9634856231 [0,1,0,0,0,1|1,0,1]=4 2390 B8R0.29 CC(C)(C)SCC(=O)O MCULE-3761706328 [0,1,0,0,0,1|1,0,1]=4 2391 B8R0.29 CC(C)(N)CCC(=O)O MCULE-1195501366 [0,1,0,0,0,1|1,0,1]=4 2392 B8R0.29 CC(C)(N)CCC(=O)O MCULE-3901764815 [0,1,0,0,0,1|1,0,1]=4 2393 B8R0.29 CC(C)(S)CCC(=O)O MCULE-7771494478 [0,1,0,0,0,1|0,1,1]=4 2394 B8R0.29 CC(F)(F)CCC(=O)O MCULE-6694097155 [0,1,0,0,0,1|1,0,1]=4 2395 B8R0.29 CP(=O)(C)CCC(=O)O MCULE-4161237740 [0,1,0,0,0,1|1,0,0]=3 2396 B8R0.29 CP(=O)(O)CCC(=O)O MCULE-7722406670 [0,1,0,0,0,1|1,0,0]=3 2397 B8R0.29 CP(=S)(C)CCC(=O)O MCULE-5422068119 [0,1,0,0,0,1|1,1,0]=4 2398 B8R0.29 CS(=O)(=NCC(=O)O)C MCULE-1962520069 [0,1,0,0,0,1|1,0,0]=3 2399 B8R0.29 CS(=O)(=O)C=CC(=O)O MCULE-9110705817 [0,1,0,0,0,1|1,0,1]=4 2400 B8R0.29 CS(=O)(=O)CCC(=O)O MCULE-6100062469 [0,1,0,0,0,1|1,0,0]=3 2401 B8R0.29 CS(=O)(=O)NCC(=O)O MCULE-6239662408 [0,1,0,0,0,1|1,0,0]=3 2402 B8R0.29 CS(=O)(=O)NCC(=O)[O-] MCULE-9448136066 [0,1,0,0,0,1|1,0,1]=4 2403 B8R0.29 CS(=O)(=O)OCC(=O)O MCULE-5511249618 [0,1,0,0,0,1|1,0,0]=3 2404 B8R0.29 C[Si](C)(C)CCC(=O)O MCULE-7609579135 [0,1,0,0,0,1|1,1,0]=4 2405 B8R0.29 NS(=O)(=O)CCC(=O)O MCULE-7062523969 [0,1,0,0,0,1|2,0,0]=4 2406 B8R0.29 O=C(O)CCP(=O)(O)O MCULE-5647723204 [0,1,0,0,0,1|2,0,0]=4 2407 B8R0.29 O=C(O)CCS(=O)(=O)O MCULE-8973025218 [0,1,0,0,0,1|2,0,0]=4 2408 B8R0.2 C=C(C)C(Cl)C(=O)OC MCULE-1665283862 [0,2,0,0,0,0|1,0,0]=3 2409 B8R0.2 C=C(N)C(N)C(=O)OC MCULE-5118385991 [0,2,0,0,0,0|1,0,1]=4 2410 B8R0.2 C=C(N)C(N)C(=O)OC MCULE-7419562140 [0,2,0,0,0,0|1,0,1]=4 2411 B8R0.2 C=C(N)C(N)C(=O)OC MCULE-8416732356 [0,2,0,0,0,0|1,0,1]=4 2412 B8R0.2 C=CC(C)C(C)C(=O)O MCULE-6762624939 [0,2,0,0,0,0|1,0,1]=4 2413 B8R0.2 CC(=O)C(O)C(O)CO MCULE-1853649042 [0,2,0,0,0,0|0,0,2]=4 2414 B8R0.2 CC(=O)[C@@H](O)[C@H](O)CO MCULE-9565941206 [0,2,0,0,0,0|0,0,2]=4 2415 B8R0.2 CC(C)C(N)C(=O)NO MCULE-1312472877 [0,2,0,0,0,0|1,0,1]=4 2416 B8R0.2 CC(C)C(N)C(=O)NO MCULE-1522587562 [0,2,0,0,0,0|1,0,1]=4 2417 B8R0.2 CCC(=O)C(C)C(=O)O MCULE-9192813670 [0,2,0,0,0,0|0,0,0]=2 2418 B8R0.2 CCC(C)C(Br)C(=O)O MCULE-1124609284 [0,2,0,0,0,0|1,0,1]=4 2419 B8R0.2 CCC(C)C(C)C(=O)O MCULE-9360443230 [0,2,0,0,0,0|1,0,1]=4 2420 B8R0.2 CCC(C)C(N)C(=O)O MCULE-9861955295 [0,2,0,0,0,0|1,0,1]=4 2421 B8R0.2 CCC(C)C(O)C(=O)O MCULE-4300622531 [0,2,0,0,0,0|1,0,1]=4 2422 B8R0.2 CCC(O)C(C)C(=O)O MCULE-7278088016 [0,2,0,0,0,0|0,0,2]=4 2423 B8R0.2 CCC(O)C(N)C(=O)O MCULE-5277569808 [0,2,0,0,0,0|0,0,2]=4 2424 B8R0.2 CCC(O)[C@H](N)C(=O)O MCULE-7480930876 [0,2,0,0,0,0|0,0,2]=4 2425 B8R0.2 CCN(C)C(C)C(=O)O MCULE-6064336068 [0,2,0,0,0,0|2,0,0]=4 2426 B8R0.2 CCN(C)[C@@H](C)C(=O)O MCULE-9158211664 [0,2,0,0,0,0|2,0,0]=4 2427 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O MCULE-1413119398 [0,2,0,0,0,0|1,0,1]=4 2428 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O MCULE-5186925599 [0,2,0,0,0,0|1,0,1]=4 2429 B8R0.2 CC[C@@H](C)[C@H](Br)C(=O)O MCULE-5041492133 [0,2,0,0,0,0|1,0,1]=4 2430 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O MCULE-2706440971 [0,2,0,0,0,0|1,0,1]=4 2431 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O MCULE-8101207882 [0,2,0,0,0,0|1,0,1]=4 2432 B8R0.2 CC[C@@H](O)[C@H](N)C(=O)O MCULE-1048734191 [0,2,0,0,0,0|0,0,2]=4 2433 B8R0.2 CC[C@@H](O)[C@H](N)C(=O)O MCULE-1935827385 [0,2,0,0,0,0|0,0,2]=4 2434 B8R0.2 CC[C@@H](O)[C@H](N)C(=O)O MCULE-8753855708 [0,2,0,0,0,0|0,0,2]=4 2435 B8R0.2 CC[C@@H](O)[C@H](N)C(=O)O MCULE-9854510560 [0,2,0,0,0,0|0,0,2]=4 2436 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O MCULE-1200159118 [0,2,0,0,0,0|1,0,1]=4 2437 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O MCULE-1359318144 [0,2,0,0,0,0|1,0,1]=4 2438 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O MCULE-9629903099 [0,2,0,0,0,0|1,0,1]=4 2439 B8R0.2 CC[C@H](C)[C@@H](O)C(=O)O MCULE-6017510763 [0,2,0,0,0,0|1,0,1]=4 2440 B8R0.2 CC[C@H](C)[C@H](Cl)C(=O)O MCULE-1760352503 [0,2,0,0,0,0|1,0,1]=4 2441 B8R0.2 CC[C@H](C)[C@H](Cl)C(=O)O MCULE-2341573677 [0,2,0,0,0,0|1,0,1]=4 2442 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O MCULE-2215911951 [0,2,0,0,0,0|1,0,1]=4 2443 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O MCULE-3217669453 [0,2,0,0,0,0|1,0,1]=4 2444 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O MCULE-2804875804 [0,2,0,0,0,0|1,0,1]=4 2445 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O MCULE-4272353967 [0,2,0,0,0,0|1,0,1]=4 2446 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O MCULE-6087026464 [0,2,0,0,0,0|1,0,1]=4 2447 B8R0.2 CC[C@H](O)[C@@H](N)C(=O)O MCULE-2118005753 [0,2,0,0,0,0|0,0,2]=4 2448 B8R0.2 CC[C@H](O)[C@@H](N)C(=O)O MCULE-2420221886 [0,2,0,0,0,0|0,0,2]=4 2449 B8R0.2 CC[C@H](O)[C@@H](N)C(=O)O MCULE-7168739287 [0,2,0,0,0,0|0,0,2]=4 2450 B8R0.2 CC[C@H](O)[C@@H](N)C(=O)O MCULE-7351381830 [0,2,0,0,0,0|0,0,2]=4 2451 B8R0.2 CNC(=O)C(Cl)C(=O)C MCULE-7816149596 [0,2,0,0,0,0|1,0,0]=3 2452 B8R0.2 CNC(=O)C(N)C(C)O MCULE-1025476590 [0,2,0,0,0,0|1,0,1]=4 2453 B8R0.2 CNC(=O)C(N)C(C)O MCULE-6101866105 [0,2,0,0,0,0|1,0,1]=4 2454 B8R0.2 CNC(=O)[C@@H](N)[C@@H](C)O MCULE-1326924990 [0,2,0,0,0,0|1,0,1]=4 2455 B8R0.2 CNC(=O)[C@@H](N)[C@@H](C)O MCULE-5094760218 [0,2,0,0,0,0|1,0,1]=4 2456 B8R0.2 CNC(=O)[C@@H](N)[C@@H](C)O MCULE-9454209271 [0,2,0,0,0,0|1,0,1]=4 2457 B8R0.2 CNC(=O)[C@@H](N)[C@@H](C)O MCULE-9558878758 [0,2,0,0,0,0|1,0,1]=4 2458 B8R0.2 COC(=O)C(=C(C)C)Br MCULE-8636120575 [0,2,0,0,0,0|1,0,1]=4 2459 B8R0.2 COC(=O)C(Br)C(=O)C MCULE-4571030586 [0,2,0,0,0,0|0,0,0]=2 2460 B8R0.2 COC(=O)C(Br)C(C)Br MCULE-1209772107 [0,2,0,0,0,0|1,0,1]=4 2461 B8R0.2 COC(=O)C(Br)C(C)C MCULE-2879214598 [0,2,0,0,0,0|1,0,1]=4 2462 B8R0.2 COC(=O)C(C)C(=O)C MCULE-7473005493 [0,2,0,0,0,0|0,0,0]=2 2463 B8R0.2 COC(=O)C(C)C(=O)N MCULE-7480268767 [0,2,0,0,0,0|1,0,0]=3 2464 B8R0.2 COC(=O)C(C)C(=O)O MCULE-6548116408 [0,2,0,0,0,0|0,0,0]=2 2465 B8R0.2 COC(=O)C(C)C(C)O MCULE-1377857651 [0,2,0,0,0,0|0,0,2]=4 2466 B8R0.2 COC(=O)C(C)C(C)S MCULE-8090305970 [0,2,0,0,0,0|0,1,1]=4 2467 B8R0.2 COC(=O)C(C)N(=O)=O MCULE-1508014455 [0,2,0,0,0,0|1,0,1]=4 2468 B8R0.2 COC(=O)C(Cl)C(=O)C MCULE-8703201551 [0,2,0,0,0,0|0,0,0]=2 2469 B8R0.2 COC(=O)C(Cl)C(C)Cl MCULE-8079111955 [0,2,0,0,0,0|1,0,1]=4 2470 B8R0.2 COC(=O)C(N)C(=O)C MCULE-6003738013 [0,2,0,0,0,0|0,0,0]=2 2471 B8R0.2 COC(=O)C(N)C(=O)C MCULE-6286319401 [0,2,0,0,0,0|0,0,0]=2 2472 B8R0.2 COC(=O)C(N)C(=O)O MCULE-2696171130 [0,2,0,0,0,0|0,0,0]=2 2473 B8R0.2 COC(=O)C(N)C(=O)O MCULE-7192453479 [0,2,0,0,0,0|0,0,0]=2 2474 B8R0.2 COC(=O)C(N)C(C)C MCULE-2054930909 [0,2,0,0,0,0|1,0,1]=4 2475 B8R0.2 COC(=O)C(N)C(C)C MCULE-2312805449 [0,2,0,0,0,0|1,0,1]=4 2476 B8R0.2 COC(=O)C(N)C(C)C MCULE-4433456538 [0,2,0,0,0,0|1,0,1]=4 2477 B8R0.2 COC(=O)C(N)C(C)C MCULE-4595803138 [0,2,0,0,0,0|1,0,1]=4 2478 B8R0.2 COC(=O)C(N)C(C)Cl MCULE-6074076208 [0,2,0,0,0,0|1,0,1]=4 2479 B8R0.2 COC(=O)C(N)C(C)Cl MCULE-6154308704 [0,2,0,0,0,0|1,0,1]=4 2480 B8R0.2 COC(=O)C(N)C(C)O MCULE-4054504482 [0,2,0,0,0,0|0,0,2]=4 2481 B8R0.2 COC(=O)C(N)C(C)O MCULE-5137175004 [0,2,0,0,0,0|0,0,2]=4 2482 B8R0.2 COC(=O)C(O)C(C)Br MCULE-7007726043 [0,2,0,0,0,0|1,0,1]=4 2483 B8R0.2 COC(=O)C(O)C(C)C MCULE-8424293497 [0,2,0,0,0,0|1,0,1]=4 2484 B8R0.2 COC(=O)C(O)C(C)N MCULE-7579168292 [0,2,0,0,0,0|1,0,1]=4 2485 B8R0.2 COC(=O)C(S)C(C)C MCULE-4177105598 [0,2,0,0,0,0|1,0,1]=4 2486 B8R0.2 COC(=O)[C@@H](N)C(=O)O MCULE-3813999303 [0,2,0,0,0,0|0,0,0]=2 2487 B8R0.2 COC(=O)[C@@H](N)C(=O)O MCULE-7475117362 [0,2,0,0,0,0|0,0,0]=2 2488 B8R0.2 COC(=O)[C@@H](N)C(C)C MCULE-1961120276 [0,2,0,0,0,0|1,0,1]=4 2489 B8R0.2 COC(=O)[C@@H](N)C(C)C MCULE-7694873432 [0,2,0,0,0,0|1,0,1]=4 2490 B8R0.2 COC(=O)[C@@H](N)C(C)C MCULE-9509659105 [0,2,0,0,0,0|1,0,1]=4 2491 B8R0.2 COC(=O)[C@@H](N)C(C)C MCULE-9828778245 [0,2,0,0,0,0|1,0,1]=4 2492 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O MCULE-3396042563 [0,2,0,0,0,0|0,0,2]=4 2493 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O MCULE-3984373535 [0,2,0,0,0,0|0,0,2]=4 2494 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O MCULE-5105961994 [0,2,0,0,0,0|0,0,2]=4 2495 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O MCULE-6341068916 [0,2,0,0,0,0|0,0,2]=4 2496 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O MCULE-6365007520 [0,2,0,0,0,0|0,0,2]=4 2497 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O MCULE-9648470447 [0,2,0,0,0,0|0,0,2]=4 2498 B8R0.2 COC(=O)[C@@H](N)[C@H](C)O MCULE-1344493357 [0,2,0,0,0,0|0,0,2]=4 2499 B8R0.2 COC(=O)[C@@H](N)[C@H](C)O MCULE-2707639795 [0,2,0,0,0,0|0,0,2]=4 2500 B8R0.2 COC(=O)[C@@H](N)[C@H](C)O MCULE-5310976879 [0,2,0,0,0,0|0,0,2]=4 2501 B8R0.2 COC(=O)[C@@H](N)[C@H](C)O MCULE-5466279343 [0,2,0,0,0,0|0,0,2]=4 2502 B8R0.2 COC(=O)[C@@H](N)[C@H](C)O MCULE-7651050243 [0,2,0,0,0,0|0,0,2]=4 2503 B8R0.2 COC(=O)[C@@H](N)[C@H](C)O MCULE-9066216802 [0,2,0,0,0,0|0,0,2]=4 2504 B8R0.2 COC(=O)[C@@H](O)C(C)C MCULE-5130677971 [0,2,0,0,0,0|1,0,1]=4 2505 B8R0.2 COC(=O)[C@@H](O)C(C)C MCULE-7282119938 [0,2,0,0,0,0|1,0,1]=4 2506 B8R0.2 COC(=O)[C@H](C)[C@@H](C)N MCULE-1711341812 [0,2,0,0,0,0|1,0,1]=4 2507 B8R0.2 COC(=O)[C@H](C)[C@@H](C)N MCULE-1867656873 [0,2,0,0,0,0|1,0,1]=4 2508 B8R0.2 COC(=O)[C@H](C)[C@@H](C)N MCULE-3450004076 [0,2,0,0,0,0|1,0,1]=4 2509 B8R0.2 COC(=O)[C@H](C)[C@@H](C)N MCULE-7295638242 [0,2,0,0,0,0|1,0,1]=4 2510 B8R0.2 COC(=O)[C@H](N)C(C)C MCULE-2129476798 [0,2,0,0,0,0|1,0,1]=4 2511 B8R0.2 COC(=O)[C@H](N)C(C)C MCULE-5614881016 [0,2,0,0,0,0|1,0,1]=4 2512 B8R0.2 COC(=O)[C@H](N)C(C)C MCULE-5653129894 [0,2,0,0,0,0|1,0,1]=4 2513 B8R0.2 COC(=O)[C@H](N)C(C)C MCULE-7878824190 [0,2,0,0,0,0|1,0,1]=4 2514 B8R0.2 COC(=O)[C@H](N)[C@@H](C)O MCULE-5915481519 [0,2,0,0,0,0|0,0,2]=4 2515 B8R0.2 COC(=O)[C@H](N)[C@@H](C)O MCULE-6143392922 [0,2,0,0,0,0|0,0,2]=4 2516 B8R0.2 COC(=O)[C@H](N)[C@@H](C)O MCULE-8582390480 [0,2,0,0,0,0|0,0,2]=4 2517 B8R0.2 COC(=O)[C@H](N)[C@@H](C)O MCULE-8654293763 [0,2,0,0,0,0|0,0,2]=4 2518 B8R0.2 COC(=O)[C@H](N)[C@H](C)O MCULE-1159030229 [0,2,0,0,0,0|0,0,2]=4 2519 B8R0.2 COC(=O)[C@H](N)[C@H](C)O MCULE-3519054990 [0,2,0,0,0,0|0,0,2]=4 2520 B8R0.2 COC(=O)[C@H](N)[C@H](C)O MCULE-9015310634 [0,2,0,0,0,0|0,0,2]=4 2521 B8R0.2 COC(=O)[C@H](N)[C@H](C)O MCULE-9519182030 [0,2,0,0,0,0|0,0,2]=4 2522 B8R0.2 COC(=O)[C@H](O)C(C)C MCULE-2046755935 [0,2,0,0,0,0|1,0,1]=4 2523 B8R0.2 COC(=O)[C@H](O)C(C)C MCULE-7450255928 [0,2,0,0,0,0|1,0,1]=4 2524 B8R0.2 COC(C)C(Br)C(=O)O MCULE-2500266383 [0,2,0,0,0,0|0,0,2]=4 2525 B8R0.2 COC(C)C(O)C(=O)O MCULE-2673265957 [0,2,0,0,0,0|0,0,2]=4 2526 B8R0.2 CO[C@@H](C)[C@@H](N)C(=O)O MCULE-2479965444 [0,2,0,0,0,0|0,0,2]=4 2527 B8R0.2 CO[C@@H](C)[C@@H](N)C(=O)O MCULE-3288712191 [0,2,0,0,0,0|0,0,2]=4 2528 B8R0.2 CO[C@@H](C)[C@@H](N)C(=O)O MCULE-6827226453 [0,2,0,0,0,0|0,0,2]=4 2529 B8R0.2 CO[C@@H](C)[C@H](N)C(=O)O MCULE-6762158780 [0,2,0,0,0,0|0,0,2]=4 2530 B8R0.2 CO[C@@H](C)[C@H](N)C(=O)O MCULE-9087542117 [0,2,0,0,0,0|0,0,2]=4 2531 B8R0.2 CO[C@H](C)[C@@H](N)C(=O)O MCULE-6235935164 [0,2,0,0,0,0|0,0,2]=4 2532 B8R0.2 CO[C@H](C)[C@@H](N)C(=O)O MCULE-6758536252 [0,2,0,0,0,0|0,0,2]=4 2533 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O MCULE-7334607468 [0,2,0,0,0,0|0,0,2]=4 2534 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O MCULE-8564530384 [0,2,0,0,0,0|0,0,2]=4 2535 B8R0.2 CSC(C)C(N)C(=O)O MCULE-6226096646 [0,2,0,0,0,0|0,1,1]=4 2536 B8R0.2 O=C(O)C(O)C(O)CO MCULE-1397527919 [0,2,0,0,0,0|0,0,2]=4 2537 B8R0.2 O=C(O)[C@H](O)[C@H](O)CO MCULE-1531474304 [0,2,0,0,0,0|0,0,2]=4 2538 B8R0.2 O=C(O)[C@H](O)[C@H](O)CO MCULE-3829421433 [0,2,0,0,0,0|0,0,2]=4 2539 B8R0.2 O=C/C(=C(/Br)\C(=O)O)/Br MCULE-4235787323 [0,2,0,0,0,0|1,0,1]=4 2540 B8R0.2 O=C/C(=C(/Cl)\C(=O)O)/Cl MCULE-5383258560 [0,2,0,0,0,0|1,0,1]=4 2541 B8R0.2 O=C/C(=C(\Cl)/C(=O)O)/Cl MCULE-2800807401 [0,2,0,0,0,0|1,0,1]=4 2542 B8R0.2 O=CC(=C(Br)C(=O)O)Br MCULE-6159934056 [0,2,0,0,0,0|1,0,1]=4 2543 B8R0.2 O=CC(=C(Cl)C(=O)O)Cl MCULE-1478625845 [0,2,0,0,0,0|1,0,1]=4 2544 B8R0.5 C#CCC(N)CC(=O)O MCULE-2010410671 [0,2,0,0,0,0|1,0,1]=4 2545 B8R0.5 C#CCC(N)CC(=O)O MCULE-9655976746 [0,2,0,0,0,0|1,0,1]=4 2546 B8R0.5 C#CC[C@@H](N)CC(=O)O MCULE-1849013560 [0,2,0,0,0,0|1,0,1]=4 2547 B8R0.5 C#CC[C@@H](N)CC(=O)O MCULE-5050240935 [0,2,0,0,0,0|1,0,1]=4 2548 B8R0.5 C#CC[C@@H](N)CC(=O)O MCULE-7394019004 [0,2,0,0,0,0|1,0,1]=4 2549 B8R0.5 C#CC[C@@H](N)CC(=O)O MCULE-8376747540 [0,2,0,0,0,0|1,0,1]=4 2550 B8R0.5 C#CC[C@H](N)CC(=O)O MCULE-1446527937 [0,2,0,0,0,0|1,0,1]=4 2551 B8R0.5 C#CC[C@H](N)CC(=O)O MCULE-4559086818 [0,2,0,0,0,0|1,0,1]=4 2552 B8R0.5 C#CC[C@H](N)CC(=O)O MCULE-5154381271 [0,2,0,0,0,0|1,0,1]=4 2553 B8R0.5 C#CC[C@H](N)CC(=O)O MCULE-9666448400 [0,2,0,0,0,0|1,0,1]=4 2554 B8R0.5 C/C=C/C(O)CC(=O)O MCULE-3416519692 [0,2,0,0,0,0|0,0,2]=4 2555 B8R0.5 C=C(Br)CC(=O)OCC MCULE-2786450044 [0,2,0,0,0,0|1,0,1]=4 2556 B8R0.5 C=C(CCC)CC(=O)O MCULE-5240115049 [0,2,0,0,0,0|1,0,0]=3 2557 B8R0.5 C=CCC(N)CC(=O)O MCULE-1468461223 [0,2,0,0,0,0|1,0,1]=4 2558 B8R0.5 C=CCC(N)CC(=O)O MCULE-3288937491 [0,2,0,0,0,0|1,0,1]=4 2559 B8R0.5 C=CCC(N)CC(=O)O MCULE-4022730599 [0,2,0,0,0,0|1,0,1]=4 2560 B8R0.5 C=CCC(N)CC(=O)O MCULE-5843795649 [0,2,0,0,0,0|1,0,1]=4 2561 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-4754294062 [0,2,0,0,0,0|1,0,1]=4 2562 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-7831408077 [0,2,0,0,0,0|1,0,1]=4 2563 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-8503288377 [0,2,0,0,0,0|1,0,1]=4 2564 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-9398972010 [0,2,0,0,0,0|1,0,1]=4 2565 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-1784444892 [0,2,0,0,0,0|1,0,1]=4 2566 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-3247296447 [0,2,0,0,0,0|1,0,1]=4 2567 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-5484030094 [0,2,0,0,0,0|1,0,1]=4 2568 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-8982980423 [0,2,0,0,0,0|1,0,1]=4 2569 B8R0.5 CC(=O)CN(C)CCO MCULE-4972701308 [0,2,0,0,0,0|2,0,0]=4 2570 B8R0.5 CC(C)CC(=O)OCCl MCULE-3506308902 [0,2,0,0,0,0|1,0,1]=4 2571 B8R0.5 CC(C)CC(=O)OCI MCULE-8217025108 [0,2,0,0,0,0|1,0,1]=4 2572 B8R0.5 CC=CC(O)CC(=O)O MCULE-9449456878 [0,2,0,0,0,0|0,0,2]=4 2573 B8R0.5 CCC/C(=C/C(=O)O)/C MCULE-2055195599 [0,2,0,0,0,0|1,0,1]=4 2574 B8R0.5 CCCC(=CC(=O)O)C MCULE-9033187683 [0,2,0,0,0,0|1,0,1]=4 2575 B8R0.5 CCCC(=O)CC(=O)C MCULE-1126963023 [0,2,0,0,0,0|1,0,0]=3 2576 B8R0.5 CCCC(=O)CC(=O)O MCULE-8977313826 [0,2,0,0,0,0|0,0,0]=2 2577 B8R0.5 CCCC(C)CC(=O)O MCULE-6002154473 [0,2,0,0,0,0|1,0,1]=4 2578 B8R0.5 CCCC(N)CC(=O)O MCULE-1356349547 [0,2,0,0,0,0|1,0,1]=4 2579 B8R0.5 CCCC(N)CC(=O)O MCULE-4946770886 [0,2,0,0,0,0|1,0,1]=4 2580 B8R0.5 CCCC(N)CC(=O)O MCULE-5502250330 [0,2,0,0,0,0|1,0,1]=4 2581 B8R0.5 CCCC(N)CC(=O)O MCULE-9959180111 [0,2,0,0,0,0|1,0,1]=4 2582 B8R0.5 CCCC(O)CC(=O)O MCULE-3158579605 [0,2,0,0,0,0|0,0,2]=4 2583 B8R0.5 CCCN(C)CC(=O)O MCULE-2690950295 [0,2,0,0,0,0|2,0,0]=4 2584 B8R0.5 CCCN(C)CC(=O)O MCULE-9588106269 [0,2,0,0,0,0|2,0,0]=4 2585 B8R0.5 CCCS(=O)CC(=O)O MCULE-4278595326 [0,2,0,0,0,0|1,0,0]=3 2586 B8R0.5 CCC[C@@H](N)CC(=O)O MCULE-9961668094 [0,2,0,0,0,0|1,0,1]=4 2587 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-1726586898 [0,2,0,0,0,0|1,0,1]=4 2588 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-5359238908 [0,2,0,0,0,0|1,0,1]=4 2589 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-5593873511 [0,2,0,0,0,0|1,0,1]=4 2590 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-7588873691 [0,2,0,0,0,0|1,0,1]=4 2591 B8R0.5 CCNC(=O)CC(=O)O MCULE-6073095545 [0,2,0,0,0,0|0,0,0]=2 2592 B8R0.5 CCNC(=O)CC(C)O MCULE-1959743741 [0,2,0,0,0,0|1,0,1]=4 2593 B8R0.5 CCNC(C)CC(=O)O MCULE-2938286546 [0,2,0,0,0,0|1,0,1]=4 2594 B8R0.5 CCNC(C)CC(=O)O MCULE-4848873654 [0,2,0,0,0,0|1,0,1]=4 2595 B8R0.5 CCO/C(=C/C(=O)O)/N MCULE-7778274433 [0,2,0,0,0,0|1,0,1]=4 2596 B8R0.5 CCO/C(=C/C(=O)O)/N MCULE-8836710093 [0,2,0,0,0,0|1,0,1]=4 2597 B8R0.5 CCOC(=O)/C=C(/C)\I MCULE-5085340581 [0,2,0,0,0,0|1,0,1]=4 2598 B8R0.5 CCOC(=O)/C=C(/C)\N MCULE-2741839757 [0,2,0,0,0,0|1,0,1]=4 2599 B8R0.5 CCOC(=O)/C=C(/C)\[O-] MCULE-8926472469 [0,2,0,0,0,0|0,0,2]=4 2600 B8R0.5 CCOC(=O)/C=C(/C)\[O-] MCULE-9996122453 [0,2,0,0,0,0|0,0,2]=4 2601 B8R0.5 CCOC(=O)/C=C(\C)/N MCULE-2531351299 [0,2,0,0,0,0|1,0,1]=4 2602 B8R0.5 CCOC(=O)C=C(C)C MCULE-2935651341 [0,2,0,0,0,0|1,0,1]=4 2603 B8R0.5 CCOC(=O)C=C(C)I MCULE-4319141798 [0,2,0,0,0,0|1,0,1]=4 2604 B8R0.5 CCOC(=O)C=C(C)N MCULE-5559390637 [0,2,0,0,0,0|1,0,1]=4 2605 B8R0.5 CCOC(=O)CC(=N)N MCULE-2205626178 [0,2,0,0,0,0|2,0,0]=4 2606 B8R0.5 CCOC(=O)CC(=N)N MCULE-7102889149 [0,2,0,0,0,0|2,0,0]=4 2607 B8R0.5 CCOC(=O)CC(=O)C MCULE-8615117086 [0,2,0,0,0,0|0,0,0]=2 2608 B8R0.5 CCOC(=O)CC(=O)Cl MCULE-2946486230 [0,2,0,0,0,0|1,0,0]=3 2609 B8R0.5 CCOC(=O)CC(=O)N MCULE-7799038725 [0,2,0,0,0,0|1,0,0]=3 2610 B8R0.5 CCOC(=O)CC(=O)O MCULE-9495505919 [0,2,0,0,0,0|0,0,0]=2 2611 B8R0.5 CCOC(=O)CC(=O)[O-] MCULE-6229774103 [0,2,0,0,0,0|0,0,1]=3 2612 B8R0.5 CCOC(=O)CC(=S)N MCULE-8264583697 [0,2,0,0,0,0|1,1,0]=4 2613 B8R0.5 CCOC(=O)CC(C)Br MCULE-4224246188 [0,2,0,0,0,0|1,0,1]=4 2614 B8R0.5 CCOC(=O)CC(C)C MCULE-1409113611 [0,2,0,0,0,0|1,0,1]=4 2615 B8R0.5 CCOC(=O)CC(C)N MCULE-1243805331 [0,2,0,0,0,0|1,0,1]=4 2616 B8R0.5 CCOC(=O)CC(C)N MCULE-5115744093 [0,2,0,0,0,0|1,0,1]=4 2617 B8R0.5 CCOC(=O)CC(C)N MCULE-5865270424 [0,2,0,0,0,0|1,0,1]=4 2618 B8R0.5 CCOC(=O)CC(C)N MCULE-7563274819 [0,2,0,0,0,0|1,0,1]=4 2619 B8R0.5 CCOC(=O)CC(C)O MCULE-5738582973 [0,2,0,0,0,0|0,0,2]=4 2620 B8R0.5 CCOC(=O)CC(C)O MCULE-7412227285 [0,2,0,0,0,0|0,0,2]=4 2621 B8R0.5 CCOC(=O)CC(C)S MCULE-1321603394 [0,2,0,0,0,0|0,1,1]=4 2622 B8R0.5 CCOC(=O)CN(=O)=O MCULE-2325981285 [0,2,0,0,0,0|1,0,1]=4 2623 B8R0.5 CCOC(=O)CN(C)C MCULE-7481726803 [0,2,0,0,0,0|2,0,0]=4 2624 B8R0.5 CCOC(=O)C[C@@H](C)N MCULE-1945272442 [0,2,0,0,0,0|1,0,1]=4 2625 B8R0.5 CCOC(=O)C[C@@H](C)N MCULE-2760267862 [0,2,0,0,0,0|1,0,1]=4 2626 B8R0.5 CCOC(=O)C[C@@H](C)N MCULE-3046196442 [0,2,0,0,0,0|1,0,1]=4 2627 B8R0.5 CCOC(=O)C[C@@H](C)N MCULE-8919184785 [0,2,0,0,0,0|1,0,1]=4 2628 B8R0.5 CCOC(=O)C[C@@H](C)O MCULE-2482059514 [0,2,0,0,0,0|0,0,2]=4 2629 B8R0.5 CCOC(=O)C[C@@H](C)O MCULE-7632639859 [0,2,0,0,0,0|0,0,2]=4 2630 B8R0.5 CCOC(=O)C[C@H](C)N MCULE-2736239635 [0,2,0,0,0,0|1,0,1]=4 2631 B8R0.5 CCOC(=O)C[C@H](C)N MCULE-4857755885 [0,2,0,0,0,0|1,0,1]=4 2632 B8R0.5 CCOC(=O)C[C@H](C)N MCULE-8001518919 [0,2,0,0,0,0|1,0,1]=4 2633 B8R0.5 CCOC(=O)C[C@H](C)N MCULE-9141489226 [0,2,0,0,0,0|1,0,1]=4 2634 B8R0.5 CCOC(=O)C[C@H](C)O MCULE-7934535288 [0,2,0,0,0,0|0,0,2]=4 2635 B8R0.5 CCOC(=O)C[C@H](C)O MCULE-8099928659 [0,2,0,0,0,0|0,0,2]=4 2636 B8R0.5 CCOC(=O)C[S+](C)C MCULE-6931339935 [0,2,0,0,0,0|2,0,0]=4 2637 B8R0.5 CCOC(=O)C[S+](C)C MCULE-7075454926 [0,2,0,0,0,0|2,0,0]=4 2638 B8R0.5 CCOC(=O)NC(=O)C MCULE-8711109897 [0,2,0,0,0,0|1,0,0]=3 2639 B8R0.5 CCOC(=O)NC(=O)N MCULE-7086796426 [0,2,0,0,0,0|2,0,0]=4 2640 B8R0.5 CCSC(C)CC(=O)O MCULE-9735540046 [0,2,0,0,0,0|0,1,1]=4 2641 B8R0.5 CN(CCO)CC(=O)O MCULE-9266824629 [0,2,0,0,0,0|1,0,1]=4 2642 B8R0.5 CNCC(O)CC(=O)O MCULE-4502865855 [0,2,0,0,0,0|0,0,2]=4 2643 B8R0.5 CNCC(O)CC(=O)O MCULE-5628718703 [0,2,0,0,0,0|0,0,2]=4 2644 B8R0.5 COCC(=CC(=O)O)C MCULE-7202220126 [0,2,0,0,0,0|0,0,2]=4 2645 B8R0.5 COCC(=O)CC(=O)C MCULE-8600900987 [0,2,0,0,0,0|0,0,0]=2 2646 B8R0.5 COCC(=O)CC(C)C MCULE-3040467675 [0,2,0,0,0,0|1,0,1]=4 2647 B8R0.5 COCC(C)CC(=O)O MCULE-7551495663 [0,2,0,0,0,0|0,0,2]=4 2648 B8R0.5 N#CCC(=O)NC(=O)N MCULE-2207170284 [0,2,0,0,0,0|2,0,0]=4 2649 B8R0.5 NC(=O)NC(=O)CCCl MCULE-5654195703 [0,2,0,0,0,0|2,0,0]=4 2650 B8R0.5 NCCC(O)CC(=O)O MCULE-3095949832 [0,2,0,0,0,0|0,0,2]=4 2651 B8R0.5 NCCC(O)CC(=O)O MCULE-8864780829 [0,2,0,0,0,0|0,0,2]=4 2652 B8R0.16 C=CC(CC)CC(=O)O MCULE-3976460208 [0,2,0,0,0,0|1,0,1]=4 2653 B8R0.16 CCC(=CC(=O)O)CC MCULE-1347248467 [0,2,0,0,0,0|1,0,1]=4 2654 B8R0.16 CCC(CC(=O)O)OC MCULE-7066116722 [0,2,0,0,0,0|0,0,2]=4 2655 B8R0.16 CCC(CC(=O)O)SC MCULE-6546556452 [0,2,0,0,0,0|0,1,1]=4 2656 B8R0.16 CCC(CC)CC(=O)O MCULE-1604696319 [0,2,0,0,0,0|1,0,1]=4 2657 B8R0.16 CCN(CC)CC(=O)O MCULE-3120416437 [0,2,0,0,0,0|2,0,0]=4 2658 B8R0.16 CCN(CC)CC(=O)O MCULE-4968287986 [0,2,0,0,0,0|2,0,0]=4 2659 B8R0.16 COC(CC(=O)C)OC MCULE-4638877505 [0,2,0,0,0,0|0,0,2]=4 2660 B8R0.16 COC(CC(=O)O)OC MCULE-5378328171 [0,2,0,0,0,0|0,0,2]=4 2661 B8R0.16 COC(CN)CC(=O)O MCULE-5640667137 [0,2,0,0,0,0|0,0,2]=4 2662 B8R0.16 COC(CN)CC(=O)O MCULE-6451369002 [0,2,0,0,0,0|0,0,2]=4 2663 B8R0.16 NCC(CO)CC(=O)O MCULE-2939268634 [0,2,0,0,0,0|0,0,2]=4 2664 B8R0.19 C(O)(CC)CC(=O)OC MCULE-6615199457 [0,2,0,0,0,0|0,0,2]=4 2665 B8R0.19 C/C(=N\O)/C/C(=N/O)/C MCULE-5497085769 [0,2,0,0,0,0|1,0,1]=4 2666 B8R0.19 C=C(C#N)CC(=O)OC MCULE-6170444323 [0,2,0,0,0,0|1,0,1]=4 2667 B8R0.19 C=C(CCl)CC(=O)OC MCULE-3436182948 [0,2,0,0,0,0|1,0,0]=3 2668 B8R0.19 C=CC(=O)NC(=O)NC MCULE-7491775676 [0,2,0,0,0,0|2,0,0]=4 2669 B8R0.19 CC(=NN)CC(=O)NN MCULE-1283385586 [0,2,0,0,0,0|2,0,0]=4 2670 B8R0.19 CC(=NO)CC(=NO)C MCULE-7139970309 [0,2,0,0,0,0|1,0,1]=4 2671 B8R0.19 CCC(=O)CC(=O)CC MCULE-9368471361 [0,2,0,0,0,0|1,0,0]=3 2672 B8R0.19 CCC(=O)CC(=O)OC MCULE-1605349915 [0,2,0,0,0,0|0,0,0]=2 2673 B8R0.19 CCC(=O)OC(=O)CC MCULE-4790806387 [0,2,0,0,0,0|2,0,0]=4 2674 B8R0.19 CCC(C)CC(=O)OC MCULE-6040162942 [0,2,0,0,0,0|1,0,1]=4 2675 B8R0.19 CCC(N)CC(=O)OC MCULE-4861062224 [0,2,0,0,0,0|1,0,1]=4 2676 B8R0.19 CCC(N)CC(=O)OC MCULE-5474414259 [0,2,0,0,0,0|1,0,1]=4 2677 B8R0.19 CCC(N)CC(=O)OC MCULE-6614411962 [0,2,0,0,0,0|1,0,1]=4 2678 B8R0.19 CCC(N)CC(=O)OC MCULE-8833088600 [0,2,0,0,0,0|1,0,1]=4 2679 B8R0.19 CC[C@@H](N)CC(=O)OC MCULE-2253918492 [0,2,0,0,0,0|1,0,1]=4 2680 B8R0.19 CC[C@@H](O)CC(=O)OC MCULE-7264527834 [0,2,0,0,0,0|0,0,2]=4 2681 B8R0.19 CC[C@@H](O)CC(=O)OC MCULE-8077794874 [0,2,0,0,0,0|0,0,2]=4 2682 B8R0.19 CC[C@H](N)CC(=O)OC MCULE-1636989319 [0,2,0,0,0,0|1,0,1]=4 2683 B8R0.19 CC[C@H](N)CC(=O)OC MCULE-6253948831 [0,2,0,0,0,0|1,0,1]=4 2684 B8R0.19 CC[C@H](N)CC(=O)OC MCULE-7924708820 [0,2,0,0,0,0|1,0,1]=4 2685 B8R0.19 CC[C@H](N)CC(=O)OC MCULE-8911472049 [0,2,0,0,0,0|1,0,1]=4 2686 B8R0.19 CC[C@H](O)CC(=O)OC MCULE-3861554927 [0,2,0,0,0,0|0,0,2]=4 2687 B8R0.19 CC[C@H](O)CC(=O)OC MCULE-6307000918 [0,2,0,0,0,0|0,0,2]=4 2688 B8R0.19 CN/C(=C/C(=O)OC)/C MCULE-6748104823 [0,2,0,0,0,0|1,0,1]=4 2689 B8R0.19 CN/C(=C\C(=O)OC)/C MCULE-6583518879 [0,2,0,0,0,0|1,0,1]=4 2690 B8R0.19 CNC(=CC(=O)OC)C MCULE-1607524183 [0,2,0,0,0,0|1,0,1]=4 2691 B8R0.19 CNC(=O)CC(=O)NC MCULE-9228601964 [0,2,0,0,0,0|1,0,0]=3 2692 B8R0.19 CNC(=O)NC(=O)CCl MCULE-3193763796 [0,2,0,0,0,0|2,0,0]=4 2693 B8R0.19 CNC(C)CC(=O)OC MCULE-1039195486 [0,2,0,0,0,0|1,0,1]=4 2694 B8R0.19 COC(=N)CC(=N)OC MCULE-4595570584 [0,2,0,0,0,0|2,0,0]=4 2695 B8R0.19 COC(=N)CC(=N)OC MCULE-4616387451 [0,2,0,0,0,0|2,0,0]=4 2696 B8R0.19 COC(=N)CC(=O)OC MCULE-2416316391 [0,2,0,0,0,0|1,0,0]=3 2697 B8R0.19 COC(=N)CC(=O)OC MCULE-9193442551 [0,2,0,0,0,0|1,0,0]=3 2698 B8R0.19 COC(=O)/C=C(\C)/OC MCULE-8813923973 [0,2,0,0,0,0|0,0,2]=4 2699 B8R0.19 COC(=O)C=C(C)C=O MCULE-8776671343 [0,2,0,0,0,0|0,0,1]=3 2700 B8R0.19 COC(=O)C=C(C)OC MCULE-1610055087 [0,2,0,0,0,0|0,0,2]=4 2701 B8R0.19 COC(=O)C=C(N)CF MCULE-6823347436 [0,2,0,0,0,0|1,0,1]=4 2702 B8R0.19 COC(=O)CC(=O)CCl MCULE-1683633113 [0,2,0,0,0,0|0,0,0]=2 2703 B8R0.19 COC(=O)CC(=O)OC MCULE-1727448163 [0,2,0,0,0,0|0,0,0]=2 2704 B8R0.19 COC(=O)CC(C)C=O MCULE-1183479071 [0,2,0,0,0,0|0,0,1]=3 2705 B8R0.19 COC(=O)CC(C)CBr MCULE-9170421446 [0,2,0,0,0,0|1,0,1]=4 2706 B8R0.19 COC(=O)CC(C)SC MCULE-9425584839 [0,2,0,0,0,0|0,1,1]=4 2707 B8R0.19 COC(=O)CC(N)CN MCULE-3079708048 [0,2,0,0,0,0|1,0,1]=4 2708 B8R0.19 COC(=O)CC(N)CN MCULE-5046271852 [0,2,0,0,0,0|1,0,1]=4 2709 B8R0.19 COC(=O)CC(N)CO MCULE-4803123890 [0,2,0,0,0,0|1,0,1]=4 2710 B8R0.19 COC(=O)CC(N)CO MCULE-5372024399 [0,2,0,0,0,0|1,0,1]=4 2711 B8R0.19 COC(=O)CC(O)CCl MCULE-3924993874 [0,2,0,0,0,0|0,0,2]=4 2712 B8R0.19 COC(=O)CC(O)CN MCULE-6633164904 [0,2,0,0,0,0|0,0,2]=4 2713 B8R0.19 COC(=O)CC(O)CN MCULE-6973205945 [0,2,0,0,0,0|0,0,2]=4 2714 B8R0.19 COC(=O)CC(O)CO MCULE-1721395490 [0,2,0,0,0,0|0,0,2]=4 2715 B8R0.19 COC(=O)CC(O)CO MCULE-7578547932 [0,2,0,0,0,0|0,0,2]=4 2716 B8R0.19 COC(=O)CN(C)C=O MCULE-9266775990 [0,2,0,0,0,0|1,0,0]=3 2717 B8R0.19 COC(=O)C[C@@H](O)CCl MCULE-2437500598 [0,2,0,0,0,0|0,0,2]=4 2718 B8R0.19 COC(=O)C[C@@H](O)CCl MCULE-2535323310 [0,2,0,0,0,0|0,0,2]=4 2719 B8R0.19 COC(=O)C[C@H](O)CCl MCULE-2232290900 [0,2,0,0,0,0|0,0,2]=4 2720 B8R0.19 COC(=O)C[C@H](O)CCl MCULE-2298624118 [0,2,0,0,0,0|0,0,2]=4 2721 B8R0.19 COC(=O)C[C@H](O)CO MCULE-3243102477 [0,2,0,0,0,0|0,0,2]=4 2722 B8R0.19 COC(=O)C[C@H](O)CO MCULE-7538479392 [0,2,0,0,0,0|0,0,2]=4 2723 B8R0.19 COC(=O)NC(=O)CCl MCULE-6558463162 [0,2,0,0,0,0|1,0,0]=3 2724 B8R0.19 COC(=O)OC(=O)OC MCULE-4144943626 [0,2,0,0,0,0|1,0,0]=3 2725 B8R0.19 N=C(CC(=O)NO)NO MCULE-4324650628 [0,2,0,0,0,0|1,0,1]=4 2726 B8R0.19 NNC(=O)CC(=O)NN MCULE-3735369273 [0,2,0,0,0,0|2,0,0]=4 2727 B8R0.19 O=C(CBr)OC(=O)CBr MCULE-1083667755 [0,2,0,0,0,0|2,0,0]=4 2728 B8R0.19 O=C(CC(=O)NO)N[O-] MCULE-2570796060 [0,2,0,0,0,0|1,0,0]=3 2729 B8R0.19 O=C(CC(=O)NO)N[O-] MCULE-7606204032 [0,2,0,0,0,0|1,0,0]=3 2730 B8R0.19 O=C(CCl)CC(=O)CCl MCULE-3196467645 [0,2,0,0,0,0|1,0,0]=3 2731 B8R0.19 O=C(CCl)OC(=O)CCl MCULE-6955528870 [0,2,0,0,0,0|2,0,0]=4 2732 B8R0.19 O=C(CF)OC(=O)CF MCULE-4441128823 [0,2,0,0,0,0|2,0,0]=4 2733 B8R0.19 O=C(CI)OC(=O)CI MCULE-6629478677 [0,2,0,0,0,0|2,0,0]=4 2734 B8R0.19 O=C(CO)CC(O)CO MCULE-2853556664 [0,2,0,0,0,0|0,0,2]=4 2735 B8R0.19 [C@@H](N)(CC)CC(=O)OC MCULE-3287738066 [0,2,0,0,0,0|1,0,1]=4 2736 B8R0.24 C/C(=N/O)/CS(=O)(=O)C MCULE-9931648775 [0,2,0,0,0,0|2,0,0]=4 2737 B8R0.24 CC(=NO)CS(=O)(=O)C MCULE-7699877874 [0,2,0,0,0,0|2,0,0]=4 2738 B8R0.24 CC(C)(C)CC(=O)NO MCULE-7851302505 [0,2,0,0,0,0|1,0,1]=4 2739 B8R0.24 CN(C=O)CP(=O)(O)O MCULE-5250485746 [0,2,0,0,0,0|2,0,0]=4 2740 B8R0.24 CNC(=O)CS(=O)(=O)C MCULE-7688916364 [0,2,0,0,0,0|1,0,1]=4 2741 B8R0.24 COC(=O)CC(C)(C)Br MCULE-8991861071 [0,2,0,0,0,0|1,0,1]=4 2742 B8R0.24 COC(=O)CC(C)(C)C MCULE-3411402706 [0,2,0,0,0,0|1,0,1]=4 2743 B8R0.24 COC(=O)CC(C)(C)N MCULE-1261823146 [0,2,0,0,0,0|1,0,1]=4 2744 B8R0.24 COC(=O)CC(C)(C)N MCULE-9654641564 [0,2,0,0,0,0|1,0,1]=4 2745 B8R0.24 COC(=O)CC(C)(C)O MCULE-7166479769 [0,2,0,0,0,0|0,0,2]=4 2746 B8R0.24 COC(=O)CC(C)(F)F MCULE-7009111440 [0,2,0,0,0,0|1,0,1]=4 2747 B8R0.24 COC(=O)CP(=O)(O)O MCULE-7218551741 [0,2,0,0,0,0|1,0,0]=3 2748 B8R0.24 COC(=O)CS(=O)(=O)C MCULE-8613714610 [0,2,0,0,0,0|1,0,0]=3 2749 B8R0.24 COC(=O)CS(=O)(=O)Cl MCULE-1243995626 [0,2,0,0,0,0|1,0,1]=4 2750 B8R0.24 COC(=O)CS(=O)(=O)F MCULE-7680738509 [0,2,0,0,0,0|1,0,1]=4 2751 B8R0.24 COC(=O)CS(=O)(=O)N MCULE-3798914658 [0,2,0,0,0,0|1,0,1]=4 2752 B8R0.24 COC(=O)CS(=O)(=O)O MCULE-8404555176 [0,2,0,0,0,0|1,0,0]=3 2753 B8R0.24 COC(=O)CS(=O)(=O)[O-] MCULE-1512976061 [0,2,0,0,0,0|1,0,1]=4 2754 B8R0.24 COC(=O)C[Si](C)(C)C MCULE-5804507255 [0,2,0,0,0,0|1,1,0]=4 2755 B8R0.24 CS(=O)(=NC(=O)CO)C MCULE-5445947037 [0,2,0,0,0,0|2,0,0]=4 2756 B8R0.24 CS(=O)(=O)C/C(=N/O)/N MCULE-1802510733 [0,2,0,0,0,0|2,0,0]=4 2757 B8R0.24 CS(=O)(=O)CC(=O)NN MCULE-5238237367 [0,2,0,0,0,0|2,0,0]=4 2758 B8R0.24 O=C(CP(=O)(O)O)NO MCULE-2272923571 [0,2,0,0,0,0|2,0,0]=4 2759 B8R0.34 C=CC(C)(C)CC(=O)O MCULE-5164134544 [0,2,0,0,0,0|1,0,1]=4 2760 B8R0.34 C=CC(C)(N)CC(=O)O MCULE-6219975516 [0,2,0,0,0,0|1,0,1]=4 2761 B8R0.34 C=CC(C)(N)CC(=O)O MCULE-7181187393 [0,2,0,0,0,0|1,0,1]=4 2762 B8R0.34 C=CC(C)(O)CC(=O)O MCULE-2178203310 [0,2,0,0,0,0|0,0,2]=4 2763 B8R0.34 CC(C)(C#N)CC(=O)O MCULE-3389391069 [0,2,0,0,0,0|1,0,1]=4 2764 B8R0.34 CC(C)(CBr)CC(=O)O MCULE-4311085343 [0,2,0,0,0,0|1,0,1]=4 2765 B8R0.34 CC(C)(CN)CC(=O)O MCULE-6230830854 [0,2,0,0,0,0|1,0,1]=4 2766 B8R0.34 CC(C)(CN)CC(=O)O MCULE-7518023349 [0,2,0,0,0,0|1,0,1]=4 2767 B8R0.34 CC(C)(CO)CC(=O)O MCULE-8595593482 [0,2,0,0,0,0|0,0,2]=4 2768 B8R0.34 CC(O)(CN)CC(=O)O MCULE-3304637192 [0,2,0,0,0,0|0,0,2]=4 2769 B8R0.34 CC(O)(CN)CC(=O)O MCULE-4143526784 [0,2,0,0,0,0|0,0,2]=4 2770 B8R0.34 CCC(C)(C)CC(=O)O MCULE-7231252497 [0,2,0,0,0,0|1,0,1]=4 2771 B8R0.34 CCC(C)(O)CC(=O)O MCULE-2487477968 [0,2,0,0,0,0|0,0,2]=4 2772 B8R0.34 CCC(F)(F)CC(=O)O MCULE-6139996682 [0,2,0,0,0,0|1,0,1]=4 2773 B8R0.34 CCS(=O)(=O)CC(=O)C MCULE-7362448391 [0,2,0,0,0,0|1,0,1]=4 2774 B8R0.34 CCS(=O)(=O)CC(=O)O MCULE-2833586083 [0,2,0,0,0,0|1,0,0]=3 2775 B8R0.34 CNS(=O)(=O)CC(=O)C MCULE-2601057443 [0,2,0,0,0,0|1,0,1]=4 2776 B8R0.34 CNS(=O)(=O)CC(=O)O MCULE-3154336304 [0,2,0,0,0,0|1,0,0]=3 2777 B8R0.34 COC(C)(C)CC(=O)C MCULE-7283878436 [0,2,0,0,0,0|1,0,1]=4 2778 B8R0.34 COC(C)(C)CC(=O)O MCULE-3953307849 [0,2,0,0,0,0|0,0,2]=4 2779 B8R0.34 NCC(F)(F)CC(=O)O MCULE-1672648881 [0,2,0,0,0,0|1,0,1]=4 2780 B8R0.34 O=C(O)CP(=O)(O)OO MCULE-4846368706 [0,2,0,0,0,0|2,0,0]=4 2781 B8R0.34 O=C([O-])CP(=O)([O-])CO MCULE-3115316649 [0,2,0,0,0,0|1,0,1]=4 2782 B8R0.34 O=C([O-])CP(=O)([O-])CO MCULE-8841838500 [0,2,0,0,0,0|1,0,1]=4 2783 B8R0.27 C(N)(C(=O)O)C(C)(C)S MCULE-1893345960 [0,2,0,0,0,0|0,1,1]=4 2784 B8R0.27 CC(=O)C(C)S(=O)(=O)C MCULE-7012691906 [0,2,0,0,0,0|1,0,1]=4 2785 B8R0.27 CC(=O)C(C)S(=O)(=O)[O-] MCULE-3193868144 [0,2,0,0,0,0|1,0,1]=4 2786 B8R0.27 CC(=O)C(C)S(=O)(=O)[O-] MCULE-3987018627 [0,2,0,0,0,0|1,0,1]=4 2787 B8R0.27 CC(C(=O)O)C(C)(C)C MCULE-5931607530 [0,2,0,0,0,0|1,0,1]=4 2788 B8R0.27 CC(C(=O)O)C(C)(F)F MCULE-3134887311 [0,2,0,0,0,0|1,0,1]=4 2789 B8R0.27 CC(C(=O)O)P(=O)(O)O MCULE-8565461015 [0,2,0,0,0,0|2,0,0]=4 2790 B8R0.27 CC(C(=O)O)S(=O)(=O)C MCULE-7357476405 [0,2,0,0,0,0|1,0,0]=3 2791 B8R0.27 CC(C(=O)O)S(=O)(=O)N MCULE-9865873949 [0,2,0,0,0,0|2,0,0]=4 2792 B8R0.27 CC(C)(Br)C(Br)C(=O)O MCULE-2600237498 [0,2,0,0,0,0|1,0,1]=4 2793 B8R0.27 CC(C)(C)C(Br)C(=O)O MCULE-3140400663 [0,2,0,0,0,0|1,0,1]=4 2794 B8R0.27 CC(C)(C)C(N)C(=O)O MCULE-4378220677 [0,2,0,0,0,0|1,0,1]=4 2795 B8R0.27 CC(C)(C)C(N)C(=O)O MCULE-7142182400 [0,2,0,0,0,0|1,0,1]=4 2796 B8R0.27 CC(C)(C)C(N)C(=O)O MCULE-9877941557 [0,2,0,0,0,0|1,0,1]=4 2797 B8R0.27 CC(C)(C)C(O)C(=O)O MCULE-2831225594 [0,2,0,0,0,0|1,0,1]=4 2798 B8R0.27 CC(C)(C)C(O)C(=O)O MCULE-6241480954 [0,2,0,0,0,0|1,0,1]=4 2799 B8R0.27 CC(C)(C)[C@@H](N)C(=O)O MCULE-1280092872 [0,2,0,0,0,0|1,0,1]=4 2800 B8R0.27 CC(C)(C)[C@@H](N)C(=O)O MCULE-8741274445 [0,2,0,0,0,0|1,0,1]=4 2801 B8R0.27 CC(C)(C)[C@@H](N)C(=O)O MCULE-9585981018 [0,2,0,0,0,0|1,0,1]=4 2802 B8R0.27 CC(C)(C)[C@@H](O)C(=O)O MCULE-4712331175 [0,2,0,0,0,0|1,0,1]=4 2803 B8R0.27 CC(C)(C)[C@@H](O)C(=O)O MCULE-9440383034 [0,2,0,0,0,0|1,0,1]=4 2804 B8R0.27 CC(C)(C)[C@H](Br)C(=O)O MCULE-3604683063 [0,2,0,0,0,0|1,0,1]=4 2805 B8R0.27 CC(C)(C)[C@H](N)C(=O)O MCULE-2361901374 [0,2,0,0,0,0|1,0,1]=4 2806 B8R0.27 CC(C)(C)[C@H](N)C(=O)O MCULE-7700637346 [0,2,0,0,0,0|1,0,1]=4 2807 B8R0.27 CC(C)(C)[C@H](N)C(=O)O MCULE-8028056550 [0,2,0,0,0,0|1,0,1]=4 2808 B8R0.27 CC(C)(C)[C@H](N)C(=O)O MCULE-8791211435 [0,2,0,0,0,0|1,0,1]=4 2809 B8R0.27 CC(C)(C)[C@H](O)C(=O)O MCULE-4165755614 [0,2,0,0,0,0|1,0,1]=4 2810 B8R0.27 CC(C)(C)[C@H](O)C(=O)O MCULE-6845662197 [0,2,0,0,0,0|1,0,1]=4 2811 B8R0.27 CC(C)(F)C(Br)C(=O)O MCULE-8601470705 [0,2,0,0,0,0|1,0,1]=4 2812 B8R0.27 CC(C)(F)C(N)C(=O)O MCULE-3479476353 [0,2,0,0,0,0|1,0,1]=4 2813 B8R0.27 CC(C)(F)[C@H](N)C(=O)O MCULE-4975554837 [0,2,0,0,0,0|1,0,1]=4 2814 B8R0.27 CC(C)(F)[C@H](N)C(=O)O MCULE-6202392495 [0,2,0,0,0,0|1,0,1]=4 2815 B8R0.27 CC(C)(O)C(N)C(=O)O MCULE-4257891769 [0,2,0,0,0,0|0,0,2]=4 2816 B8R0.27 CC(C)(O)C(N)C(=O)O MCULE-4291820573 [0,2,0,0,0,0|0,0,2]=4 2817 B8R0.27 CC(C)(O)C(N)C(=O)O MCULE-8731964950 [0,2,0,0,0,0|0,0,2]=4 2818 B8R0.27 CC(C)(O)C(O)C(=O)O MCULE-2030710507 [0,2,0,0,0,0|0,0,2]=4 2819 B8R0.27 CC(C)(O)[C@@H](N)C(=O)O MCULE-2953137860 [0,2,0,0,0,0|0,0,2]=4 2820 B8R0.27 CC(C)(O)[C@@H](N)C(=O)O MCULE-3424625974 [0,2,0,0,0,0|0,0,2]=4 2821 B8R0.27 CC(C)(O)[C@H](N)C(=O)O MCULE-3721152032 [0,2,0,0,0,0|0,0,2]=4 2822 B8R0.27 CC(C)(O)[C@H](N)C(=O)O MCULE-7599346102 [0,2,0,0,0,0|0,0,2]=4 2823 B8R0.27 CC(C)(O)[C@H](N)C(=O)O MCULE-9499245205 [0,2,0,0,0,0|0,0,2]=4 2824 B8R0.27 CC(C)(S)C(N)C(=O)O MCULE-4184299411 [0,2,0,0,0,0|0,1,1]=4 2825 B8R0.27 CC(C)(S)C(N)C(=O)O MCULE-8542176080 [0,2,0,0,0,0|0,1,1]=4 2826 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O MCULE-5986342172 [0,2,0,0,0,0|0,1,1]=4 2827 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O MCULE-9856748563 [0,2,0,0,0,0|0,1,1]=4 2828 B8R0.27 CC(C)(S)[C@H](N)C(=O)O MCULE-3098543641 [0,2,0,0,0,0|0,1,1]=4 2829 B8R0.27 CC(C)(S)[C@H](N)C(=O)O MCULE-9539588985 [0,2,0,0,0,0|0,1,1]=4 2830 B8R0.27 CC(F)(F)C(N)C(=O)O MCULE-1789483909 [0,2,0,0,0,0|1,0,1]=4 2831 B8R0.27 CC(F)(F)C(N)C(=O)O MCULE-3186979989 [0,2,0,0,0,0|1,0,1]=4 2832 B8R0.27 CP(=O)(C)C(O)C(=O)O MCULE-6921301874 [0,2,0,0,0,0|1,0,0]=3 2833 B8R0.27 O=C(O)C(Cl)P(=O)(O)O MCULE-8492715834 [0,2,0,0,0,0|2,0,0]=4 2834 B8R0.27 O=C(O)C(O)P(=O)(O)O MCULE-5564177953 [0,2,0,0,0,0|2,0,0]=4 2835 B8R0.27 [C@@H](N)(C(=O)O)C(C)(C)O MCULE-5116872005 [0,2,0,0,0,0|0,0,2]=4 2836 B8R0.27 [C@H](N)(C(=O)O)C(C)(C)S MCULE-5559697921 [0,2,0,0,0,0|0,1,1]=4 2837 B8R0.33 CS(=O)(=O)CS(=O)(=O)O MCULE-3074962275 [0,2,0,0,0,0|2,0,0]=4 2838 B8R0.18 CC(=C(C#N)C(=O)O)C MCULE-7102466999 [0,2,0,0,0,0|1,0,1]=4 2839 B8R0.18 CC(=O)C(=CN)C(=O)C MCULE-1809554699 [0,2,0,0,0,0|1,0,1]=4 2840 B8R0.18 CC(=O)C(=NO)C(=O)C MCULE-5277683993 [0,2,0,0,0,0|1,0,1]=4 2841 B8R0.18 CC(=O)C(C=O)C(=O)C MCULE-8700117770 [0,2,0,0,0,0|1,0,0]=3 2842 B8R0.18 CC(C)C(CN)C(=O)O MCULE-4117902081 [0,2,0,0,0,0|1,0,1]=4 2843 B8R0.18 CC(C)C(CN)C(=O)O MCULE-7615812755 [0,2,0,0,0,0|1,0,1]=4 2844 B8R0.18 CC(C)C(CN)C(=O)O MCULE-7742033605 [0,2,0,0,0,0|1,0,1]=4 2845 B8R0.18 CC(C)C(CO)C(=O)O MCULE-3554430088 [0,2,0,0,0,0|1,0,1]=4 2846 B8R0.18 CC(C)C(NN)C(=O)O MCULE-5064228794 [0,2,0,0,0,0|1,0,1]=4 2847 B8R0.18 CC(C)[C@@H](CN)C(=O)O MCULE-1192054373 [0,2,0,0,0,0|1,0,1]=4 2848 B8R0.18 CC(C)[C@@H](CN)C(=O)O MCULE-3040043200 [0,2,0,0,0,0|1,0,1]=4 2849 B8R0.18 CC(C)[C@@H](CN)C(=O)O MCULE-4353846755 [0,2,0,0,0,0|1,0,1]=4 2850 B8R0.18 CC(C)[C@@H](CN)C(=O)O MCULE-6762829521 [0,2,0,0,0,0|1,0,1]=4 2851 B8R0.18 CC(C)[C@H](CN)C(=O)O MCULE-4384560751 [0,2,0,0,0,0|1,0,1]=4 2852 B8R0.18 CC(C)[C@H](CN)C(=O)O MCULE-4859224613 [0,2,0,0,0,0|1,0,1]=4 2853 B8R0.18 CC(C)[C@H](CN)C(=O)O MCULE-4974717674 [0,2,0,0,0,0|1,0,1]=4 2854 B8R0.18 CC(C)[C@H](CN)C(=O)O MCULE-7170111497 [0,2,0,0,0,0|1,0,1]=4 2855 B8R0.18 CC(C)[C@H](NO)C(=O)O MCULE-4203177410 [0,2,0,0,0,0|1,0,1]=4 2856 B8R0.18 CCC(C(=O)C)C(=O)C MCULE-2654310210 [0,2,0,0,0,0|1,0,0]=3 2857 B8R0.18 CCC(C(=O)C)C(=O)[O-] MCULE-6595833151 [0,2,0,0,0,0|0,0,1]=3 2858 B8R0.18 CCC(C(=O)C)C(=O)[O-] MCULE-8541174028 [0,2,0,0,0,0|0,0,1]=3 2859 B8R0.18 CCC(C(=O)Cl)C(=O)Cl MCULE-8542721391 [0,2,0,0,0,0|2,0,0]=4 2860 B8R0.18 CCC(C(=O)O)C(=O)O MCULE-3288957588 [0,2,0,0,0,0|1,0,0]=3 2861 B8R0.18 CCC(C(=O)O)C(C)C MCULE-5914693527 [0,2,0,0,0,0|1,0,1]=4 2862 B8R0.18 CCC(C(=O)O)C(C)N MCULE-2976322800 [0,2,0,0,0,0|1,0,1]=4 2863 B8R0.18 CCC(C(=O)O)C(C)O MCULE-1064081188 [0,2,0,0,0,0|0,0,2]=4 2864 B8R0.18 CCC(C(=O)O)N(C)C MCULE-4235177725 [0,2,0,0,0,0|2,0,0]=4 2865 B8R0.18 CCC(C(=O)[O-])C(=O)[O-] MCULE-5481544745 [0,2,0,0,0,0|1,0,1]=4 2866 B8R0.18 CC[C@@H](C(=O)O)N(C)C MCULE-3756764540 [0,2,0,0,0,0|2,0,0]=4 2867 B8R0.18 CC[C@H](C(=O)O)N(C)C MCULE-4719850768 [0,2,0,0,0,0|2,0,0]=4 2868 B8R0.18 CN(C)C(CN)C(=O)O MCULE-6449978430 [0,2,0,0,0,0|2,0,0]=4 2869 B8R0.18 CNC(C(=O)O)C(C)C MCULE-2983512448 [0,2,0,0,0,0|1,0,1]=4 2870 B8R0.18 CNC(C(=O)O)C(C)C MCULE-5377326864 [0,2,0,0,0,0|1,0,1]=4 2871 B8R0.18 CNC(C(=O)O)C(C)C MCULE-7319327975 [0,2,0,0,0,0|1,0,1]=4 2872 B8R0.18 CNC(C(=O)O)C(C)O MCULE-8017224741 [0,2,0,0,0,0|0,0,2]=4 2873 B8R0.18 CN[C@@H](C(=O)O)C(C)C MCULE-4099145544 [0,2,0,0,0,0|1,0,1]=4 2874 B8R0.18 CN[C@@H](C(=O)O)C(C)C MCULE-4380404369 [0,2,0,0,0,0|1,0,1]=4 2875 B8R0.18 CN[C@@H](C(=O)O)C(C)C MCULE-9367123188 [0,2,0,0,0,0|1,0,1]=4 2876 B8R0.18 CN[C@@H](C(=O)O)C(C)C MCULE-9706333586 [0,2,0,0,0,0|1,0,1]=4 2877 B8R0.18 CN[C@H](C(=O)O)C(C)C MCULE-5443567819 [0,2,0,0,0,0|1,0,1]=4 2878 B8R0.18 CN[C@H](C(=O)O)C(C)C MCULE-5552228182 [0,2,0,0,0,0|1,0,1]=4 2879 B8R0.18 CN[C@H](C(=O)O)C(C)C MCULE-5767489702 [0,2,0,0,0,0|1,0,1]=4 2880 B8R0.18 CN[C@H](C(=O)O)C(C)C MCULE-8822349419 [0,2,0,0,0,0|1,0,1]=4 2881 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O MCULE-5405618703 [0,2,0,0,0,0|0,0,2]=4 2882 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O MCULE-6470355986 [0,2,0,0,0,0|0,0,2]=4 2883 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O MCULE-7261692258 [0,2,0,0,0,0|0,0,2]=4 2884 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O MCULE-7763091319 [0,2,0,0,0,0|0,0,2]=4 2885 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O MCULE-8429501411 [0,2,0,0,0,0|0,0,2]=4 2886 B8R0.18 COC(C(=O)C)C(=O)C MCULE-2169553892 [0,2,0,0,0,0|1,0,0]=3 2887 B8R0.18 COC(C(=O)O)C(C)Br MCULE-9261088290 [0,2,0,0,0,0|1,0,1]=4 2888 B8R0.18 COC(C(=O)O)C(C)C MCULE-4922461673 [0,2,0,0,0,0|1,0,1]=4 2889 B8R0.18 COC(C(=O)O)C(C)C MCULE-6661618070 [0,2,0,0,0,0|1,0,1]=4 2890 B8R0.18 COC(C(=O)O)C(C)N MCULE-5882264486 [0,2,0,0,0,0|1,0,1]=4 2891 B8R0.18 CON(C(=O)C)C(=O)C MCULE-2051447741 [0,2,0,0,0,0|2,0,0]=4 2892 B8R0.18 CO[C@@H](C(=O)O)C(C)C MCULE-1619707717 [0,2,0,0,0,0|1,0,1]=4 2893 B8R0.18 CO[C@H](C(=O)O)C(C)C MCULE-2291773409 [0,2,0,0,0,0|1,0,1]=4 2894 B8R0.18 CSC(C(=O)O)C(C)C MCULE-9613087260 [0,2,0,0,0,0|1,0,1]=4 2895 B8R0.18 O=C(O)C(=CBr)C(=O)O MCULE-6610352716 [0,2,0,0,0,0|1,0,1]=4 2896 B8R0.37 C=C(C)C(C)(C)C(=O)O MCULE-2186408605 [0,2,0,0,0,0|1,0,0]=3 2897 B8R0.37 C=C(Cl)C(C)(C)C(=O)O MCULE-1485350518 [0,2,0,0,0,0|1,0,1]=4 2898 B8R0.37 CC(=O)C(C)(C)C(=O)C MCULE-5128209361 [0,2,0,0,0,0|1,0,0]=3 2899 B8R0.37 CC(=O)C(C)(C)C(=O)O MCULE-5093326895 [0,2,0,0,0,0|0,0,0]=2 2900 B8R0.37 CC(=O)C(C)(C)C(=O)[O-] MCULE-6832030747 [0,2,0,0,0,0|0,0,1]=3 2901 B8R0.37 CC(=O)C(F)(Cl)C(=O)C MCULE-6002616162 [0,2,0,0,0,0|1,0,0]=3 2902 B8R0.37 CC(Br)C(C)(Br)C(=O)O MCULE-4288495047 [0,2,0,0,0,0|1,0,1]=4 2903 B8R0.37 CC(C)(C(=O)Cl)C(=O)Cl MCULE-1150837488 [0,2,0,0,0,0|2,0,0]=4 2904 B8R0.37 CC(C)(C(=O)N)C(=O)N MCULE-2181233977 [0,2,0,0,0,0|2,0,0]=4 2905 B8R0.37 CC(C)(C(=O)N)C(=O)O MCULE-2390691265 [0,2,0,0,0,0|1,0,0]=3 2906 B8R0.37 CC(C)(C(=O)O)C(=O)O MCULE-7318511088 [0,2,0,0,0,0|1,0,0]=3 2907 B8R0.37 CC(C)C(C)(C)C(=O)O MCULE-8335448418 [0,2,0,0,0,0|1,0,1]=4 2908 B8R0.37 CC(C)C(C)(N)C(=O)O MCULE-2018617657 [0,2,0,0,0,0|1,0,1]=4 2909 B8R0.37 CC(C)C(C)(N)C(=O)O MCULE-8116018936 [0,2,0,0,0,0|1,0,1]=4 2910 B8R0.37 CC(C)C(C)(O)C(=O)O MCULE-3909217790 [0,2,0,0,0,0|1,0,1]=4 2911 B8R0.37 CC(C)C(F)(F)C(=O)O MCULE-2732318443 [0,2,0,0,0,0|1,0,1]=4 2912 B8R0.37 CC(C)[C@@](C)(N)C(=O)O MCULE-1672449529 [0,2,0,0,0,0|1,0,1]=4 2913 B8R0.37 CC(C)[C@@](C)(N)C(=O)O MCULE-5333264309 [0,2,0,0,0,0|1,0,1]=4 2914 B8R0.37 CC(C)[C@](C)(N)C(=O)O MCULE-3942243398 [0,2,0,0,0,0|1,0,1]=4 2915 B8R0.37 CC(C)[C@](C)(N)C(=O)O MCULE-5291448404 [0,2,0,0,0,0|1,0,1]=4 2916 B8R0.37 CC(N)C(C)(C)C(=O)O MCULE-4369218088 [0,2,0,0,0,0|1,0,1]=4 2917 B8R0.37 CC(N)C(C)(C)C(=O)O MCULE-9651473536 [0,2,0,0,0,0|1,0,1]=4 2918 B8R0.37 CC(O)C(C)(N)C(=O)O MCULE-9781647782 [0,2,0,0,0,0|0,0,2]=4 2919 B8R0.37 CC(O)C(C)(O)C(=O)O MCULE-5546110054 [0,2,0,0,0,0|0,0,2]=4 2920 B8R0.37 CC(O)C(F)(F)C(=O)O MCULE-8714570962 [0,2,0,0,0,0|0,0,2]=4 2921 B8R0.37 CN(C)C(C)(C)C(=O)O MCULE-8408889105 [0,2,0,0,0,0|2,0,0]=4 2922 B8R0.37 CN(C)C(C)(C)C(=O)O MCULE-9860731659 [0,2,0,0,0,0|2,0,0]=4 2923 B8R0.37 C[C@@H](O)[C@](C)(N)C(=O)O MCULE-4212497890 [0,2,0,0,0,0|0,0,2]=4 2924 B8R0.37 C[C@@H](O)[C@](C)(N)C(=O)O MCULE-7382680634 [0,2,0,0,0,0|0,0,2]=4 2925 B8R0.37 C[C@H](O)[C@@](C)(N)C(=O)O MCULE-5661079280 [0,2,0,0,0,0|0,0,2]=4 2926 B8R0.37 NC(=O)C(Br)(Br)C(=O)N MCULE-6758740224 [0,2,0,0,0,0|2,0,0]=4 2927 B8R0.37 NC(=O)C(F)(F)C(=O)N MCULE-3505764072 [0,2,0,0,0,0|2,0,0]=4 2928 B8R0.37 O=C(F)C(F)(F)C(=O)F MCULE-9160770290 [0,2,0,0,0,0|2,0,0]=4 2929 B8R0.37 O=C(O)C(F)(F)C(=O)O MCULE-4438516030 [0,2,0,0,0,0|1,0,0]=3 2930 B8R0.37 O=C(O)C(O)(O)C(=O)O MCULE-1610310703 [0,2,0,0,0,0|1,0,0]=3 2931 B8R0.37 O=C([O-])C(O)(O)C(=O)[O-] MCULE-3122749001 [0,2,0,0,0,0|1,0,1]=4 2932 B6R1.2 CC1=CC=CC1 MCULE-3765599626 [1,0,0,1,0,0|2,0,0]=4 2933 B6R1.2 CC1=COC=C1 MCULE-1597223627 [1,0,0,1,0,0|1,0,1]=4 2934 B6R1.2 CC1=COC=N1 MCULE-3497089982 [1,0,0,1,0,0|2,0,0]=4 2935 B6R1.2 CC1=NOC=C1 MCULE-1572732397 [1,0,0,1,0,0|1,0,1]=4 2936 B6R1.2 CC1=NOC=N1 MCULE-5841548711 [1,0,0,1,0,0|2,0,0]=4 2937 B6R1.2 O=C1C=CCC1 MCULE-1844779047 [1,0,0,1,0,0|1,0,1]=4 2938 B6R1.2 O=C1C=CCN1 MCULE-4338701003 [1,0,0,1,0,0|1,0,1]=4 2939 B6R1.2 O=C1C=CCO1 MCULE-4296503663 [1,0,0,1,0,0|0,0,1]=3 2940 B6R1.2 O=C1C=CCS1 MCULE-5623095583 [1,0,0,1,0,0|0,1,1]=4 2941 B6R1.2 O=C1C=CSC1 MCULE-6580304664 [1,0,0,1,0,0|0,1,1]=4 2942 B6R1.2 O=C1CC=CC1 MCULE-7606670114 [1,0,0,1,0,0|1,0,0]=3 2943 B6R1.2 O=C1CC=NN1 MCULE-1672455504 [1,0,0,1,0,0|2,0,0]=4 2944 B6R1.2 O=C1CCCC1 MCULE-9455227735 [1,0,0,1,0,0|1,0,1]=4 2945 B6R1.2 O=C1CCCN1 MCULE-3061780794 [1,0,0,1,0,0|1,0,1]=4 2946 B6R1.2 O=C1CCCO1 MCULE-6795890265 [1,0,0,1,0,0|0,0,1]=3 2947 B6R1.2 O=C1CCCS1 MCULE-5361654550 [1,0,0,1,0,0|0,1,1]=4 2948 B6R1.2 O=C1CCNC1 MCULE-2947789259 [1,0,0,1,0,0|1,0,1]=4 2949 B6R1.2 O=C1CCNC1 MCULE-7192595052 [1,0,0,1,0,0|1,0,1]=4 2950 B6R1.2 O=C1CCOC1 MCULE-2031733910 [1,0,0,1,0,0|0,0,1]=3 2951 B6R1.2 O=C1CCON1 MCULE-6799359324 [1,0,0,1,0,0|1,0,1]=4 2952 B6R1.2 O=C1CCSC1 MCULE-2059655624 [1,0,0,1,0,0|0,1,1]=4 2953 B6R1.2 O=C1CNCN1 MCULE-2645891847 [1,0,0,1,0,0|2,0,0]=4 2954 B6R1.2 O=C1CNCN1 MCULE-9269137129 [1,0,0,1,0,0|2,0,0]=4 2955 B6R1.2 O=C1CSCN1 MCULE-3946660854 [1,0,0,1,0,0|2,0,0]=4 2956 B6R1.2 O=C1NC=CO1 MCULE-4371023805 [1,0,0,1,0,0|1,0,1]=4 2957 B6R1.2 O=C1NCCO1 MCULE-3934923008 [1,0,0,1,0,0|1,0,1]=4 2958 B6R1.2 O=C1OC=CO1 MCULE-1924277704 [1,0,0,1,0,0|1,0,1]=4 2959 B6R1.2 O=C1OCCO1 MCULE-9493253045 [1,0,0,1,0,0|1,0,1]=4 2960 B6R1.3 O=CCC1CC1 MCULE-3319649937 [1,0,0,1,0,0|1,0,1]=4 2961 B6R1.5 C=C1CC(=O)O1 MCULE-7149487095 [1,0,0,1,0,0|0,0,1]=3 2962 B6R1.5 CC1CC(=O)C1 MCULE-2159393653 [1,0,0,1,0,0|1,0,1]=4 2963 B6R1.5 CC1CC(=O)N1 MCULE-6139592633 [1,0,0,1,0,0|1,0,1]=4 2964 B6R1.5 CC1CC(=O)O1 MCULE-9285847382 [1,0,0,1,0,0|0,0,1]=3 2965 B6R1.5 CN1CC(=O)C1 MCULE-1685267969 [1,0,0,1,0,0|2,0,0]=4 2966 B6R1.5 CN1CC(=O)C1 MCULE-2242594777 [1,0,0,1,0,0|2,0,0]=4 2967 B6R1.5 C[C@@H]1CC(=O)O1 MCULE-3257475519 [1,0,0,1,0,0|0,0,1]=3 2968 B6R1.5 NC1CC(=O)C1 MCULE-3450860282 [1,0,0,1,0,0|1,0,1]=4 2969 B6R1.5 NC1CC(=O)C1 MCULE-5974961836 [1,0,0,1,0,0|1,0,1]=4 2970 B6R1.5 O=C1CC(C1)Br MCULE-1715982282 [1,0,0,1,0,0|1,0,1]=4 2971 B6R1.5 O=C1CC(C1)F MCULE-2541516698 [1,0,0,1,0,0|1,0,1]=4 2972 B6R1.5 O=C1CC(C1)O MCULE-7099112258 [1,0,0,1,0,0|0,0,1]=3 2973 B6R1.8 C=C1CC1CO MCULE-4338601055 [1,0,0,1,0,0|1,0,1]=4 2974 B6R1.8 CC1CC1C=O MCULE-2600627355 [1,0,0,1,0,0|1,0,1]=4 2975 B6R1.8 O=CC1CC1Cl MCULE-5539872961 [1,0,0,1,0,0|1,0,1]=4 2976 B6R1.11 C=C(C)C1CO1 MCULE-3656533343 [1,0,0,1,0,0|1,0,1]=4 2977 B6R1.11 CC(=O)C1CC1 MCULE-3846146416 [1,0,0,1,0,0|1,0,1]=4 2978 B6R1.11 CC(=O)C1CO1 MCULE-4329154079 [1,0,0,1,0,0|0,0,1]=3 2979 B6R1.11 NC(=O)C1CC1 MCULE-9911054913 [1,0,0,1,0,0|1,0,1]=4 2980 B6R1.11 NC(=O)C1CO1 MCULE-6911744868 [1,0,0,1,0,0|1,0,1]=4 2981 B6R1.11 O=C(Cl)C1CC1 MCULE-8675746452 [1,0,0,1,0,0|1,0,1]=4 2982 B6R1.11 O=C(O)C1CC1 MCULE-4677373694 [1,0,0,1,0,0|0,0,1]=3 2983 B6R1.11 O=C(O)C1CN1 MCULE-3236125597 [1,0,0,1,0,0|1,0,0]=3 2984 B6R1.11 O=C(O)C1CO1 MCULE-2152916793 [1,0,0,1,0,0|1,0,0]=3 2985 B6R1.11 O=C(O)[C@@H]1CN1 MCULE-4363753412 [1,0,0,1,0,0|1,0,0]=3 2986 B6R1.11 O=C(O)[C@H]1CN1 MCULE-4830347195 [1,0,0,1,0,0|1,0,0]=3 2987 B6R1.11 O=C(O)[C@H]1CO1 MCULE-5204459723 [1,0,0,1,0,0|1,0,0]=3 2988 B6R1.11 O=C(O)[C@H]1CO1 MCULE-6983707093 [1,0,0,1,0,0|1,0,0]=3 2989 B6R1.11 O=C([O-])C1CN1 MCULE-6490437892 [1,0,0,1,0,0|1,0,1]=4 2990 B6R1.11 O=C([O-])C1CO1 MCULE-4586459966 [1,0,0,1,0,0|1,0,1]=4 2991 B6R1.11 O=C([O-])[C@@H]1CO1 MCULE-1647975669 [1,0,0,1,0,0|1,0,1]=4 2992 B6R1.11 O=C([O-])[C@@H]1CO1 MCULE-1906997950 [1,0,0,1,0,0|1,0,1]=4 2993 B6R1.11 O=C([O-])[C@@H]1CO1 MCULE-4899800766 [1,0,0,1,0,0|1,0,1]=4 2994 B6R1.11 O=C([O-])[C@@H]1CO1 MCULE-9148170094 [1,0,0,1,0,0|1,0,1]=4 2995 B6R1.11 O=C([O-])[C@H]1CO1 MCULE-6663734494 [1,0,0,1,0,0|1,0,1]=4 2996 B6R1.11 O=C([O-])[C@H]1CO1 MCULE-8580451361 [1,0,0,1,0,0|1,0,1]=4 2997 B6R1.11 O=S(O)C1CC1 MCULE-1616243918 [1,0,0,1,0,0|1,0,1]=4 2998 B6R1.4 CC1COC1=O MCULE-9711165188 [0,0,0,1,1,0|1,0,1]=4 2999 B6R1.4 CC1OCC1=O MCULE-7718609686 [0,0,0,1,1,0|1,0,1]=4 3000 B6R1.4 NC1COC1=O MCULE-6998565452 [0,0,0,1,1,0|1,0,1]=4 3001 B6R1.4 N[C@@H]1COC1=O MCULE-8080548213 [0,0,0,1,1,0|1,0,1]=4 3002 B6R1.4 N[C@@H]1COC1=O MCULE-9370092691 [0,0,0,1,1,0|1,0,1]=4 3003 B6R1.4 N[C@H]1COC1=O MCULE-4812631526 [0,0,0,1,1,0|1,0,1]=4 3004 B6R1.4 O=C1CCC1O MCULE-1248327203 [0,0,0,1,1,0|1,0,1]=4 3005 B6R1.4 [C@@H]1(COC1=O)N MCULE-7456320845 [0,0,0,1,1,0|1,0,1]=4 3006 B8R1.3 C=C1CCC(=O)CC1 MCULE-8766071389 [0,0,0,1,0,1|2,0,0]=4 3007 B8R1.3 CC1=CCC(=O)CC1 MCULE-5396065385 [0,0,0,1,0,1|2,0,0]=4 3008 B8R1.3 CC1=NNC(=O)CC1 MCULE-3548202908 [0,0,0,1,0,1|2,0,0]=4 3009 B8R1.3 CC1CCC(=O)CO1 MCULE-8334906567 [0,0,0,1,0,1|1,0,1]=4 3010 B8R1.3 CC1CNC(=O)CO1 MCULE-6817757578 [0,0,0,1,0,1|1,0,1]=4 3011 B8R1.3 CC1COC(=O)OC1 MCULE-6795228051 [0,0,0,1,0,1|1,0,1]=4 3012 B8R1.3 C[C@@H]1CNC(=O)CO1 MCULE-7192421297 [0,0,0,1,0,1|1,0,1]=4 3013 B8R1.3 C[C@@H]1CNC(=O)CO1 MCULE-7394512903 [0,0,0,1,0,1|1,0,1]=4 3014 B8R1.3 C[C@H]1CNC(=O)CO1 MCULE-6169535590 [0,0,0,1,0,1|1,0,1]=4 3015 B8R1.3 C[C@H]1CNC(=O)CO1 MCULE-8876635175 [0,0,0,1,0,1|1,0,1]=4 3016 B8R1.3 O=C1CCC(=O)CC1 MCULE-5432049567 [0,0,0,1,0,1|1,0,0]=3 3017 B8R1.3 O=C1CCC(=O)NC1 MCULE-8297515560 [0,0,0,1,0,1|1,0,0]=3 3018 B8R1.3 O=C1CCC(=O)NN1 MCULE-3404255918 [0,0,0,1,0,1|2,0,0]=4 3019 B8R1.3 O=C1CCC(=O)OC1 MCULE-5478039984 [0,0,0,1,0,1|0,0,0]=2 3020 B8R1.3 O=C1CCC(CC1)O MCULE-7247867750 [0,0,0,1,0,1|1,0,1]=4 3021 B8R1.3 O=C1CCC(CN1)O MCULE-4501886280 [0,0,0,1,0,1|1,0,1]=4 3022 B8R1.3 O=C1CCC(CO1)O MCULE-6372408261 [0,0,0,1,0,1|0,0,2]=4 3023 B8R1.3 O=C1CCS(=O)CC1 MCULE-5385870019 [0,0,0,1,0,1|2,0,0]=4 3024 B8R1.3 O=C1CC[C@@H](CN1)O MCULE-3426407148 [0,0,0,1,0,1|1,0,1]=4 3025 B8R1.3 O=C1CC[C@@H](CN1)O MCULE-9592320749 [0,0,0,1,0,1|1,0,1]=4 3026 B8R1.3 O=C1CC[C@H](CN1)O MCULE-1500705916 [0,0,0,1,0,1|1,0,1]=4 3027 B8R1.3 O=C1CC[C@H](CN1)O MCULE-9578240246 [0,0,0,1,0,1|1,0,1]=4 3028 B8R1.3 O=C1CNC(=O)CN1 MCULE-7134033861 [0,0,0,1,0,1|1,0,0]=3 3029 B8R1.3 O=C1COC(=O)CN1 MCULE-4171313774 [0,0,0,1,0,1|0,0,0]=2 3030 B8R1.3 O=C1COC(=O)CO1 MCULE-8927291216 [0,0,0,1,0,1|0,0,0]=2 3031 B8R1.20 CC1CC1CC(=O)O MCULE-3151390667 [0,0,0,1,0,1|1,0,1]=4 3032 B8R1.23 C1(CC(=O)N1)C(=O)O MCULE-3416083471 [0,0,0,1,0,1|0,0,0]=2 3033 B8R1.23 C=C1CC(C1)C(=O)C MCULE-4738657819 [0,0,0,1,0,1|2,0,0]=4 3034 B8R1.23 C=C1CC(C1)C(=O)Cl MCULE-2176633503 [0,0,0,1,0,1|2,0,0]=4 3035 B8R1.23 C=C1CC(C1)C(=O)N MCULE-9592937262 [0,0,0,1,0,1|2,0,0]=4 3036 B8R1.23 C=C1CC(C1)C(=O)O MCULE-6435857280 [0,0,0,1,0,1|1,0,0]=3 3037 B8R1.23 CC(=O)C1CC(C1)O MCULE-1249992642 [0,0,0,1,0,1|1,0,1]=4 3038 B8R1.23 CC(=O)N1CC(=O)C1 MCULE-4555368577 [0,0,0,1,0,1|1,0,0]=3 3039 B8R1.23 CC(=O)N1CC(C1)O MCULE-5379013327 [0,0,0,1,0,1|1,0,1]=4 3040 B8R1.23 CC1CC(C1)C(=O)O MCULE-2185016477 [0,0,0,1,0,1|1,0,1]=4 3041 B8R1.23 CC1CC(N1)C(=O)O MCULE-2803934033 [0,0,0,1,0,1|1,0,1]=4 3042 B8R1.23 CN1CC(C1)C(=O)O MCULE-8825389553 [0,0,0,1,0,1|2,0,0]=4 3043 B8R1.23 C[C@@H]1C[C@H](N1)C(=O)O MCULE-6318758002 [0,0,0,1,0,1|1,0,1]=4 3044 B8R1.23 C[C@H]1C[C@@H](C1)C(=O)O MCULE-1777784731 [0,0,0,1,0,1|1,0,1]=4 3045 B8R1.23 C[C@H]1C[C@H](C1)C(=O)O MCULE-8951813405 [0,0,0,1,0,1|1,0,1]=4 3046 B8R1.23 C[C@H]1C[C@H](N1)C(=O)O MCULE-2969381793 [0,0,0,1,0,1|1,0,1]=4 3047 B8R1.23 NC1CC(C1)C(=O)O MCULE-8750839632 [0,0,0,1,0,1|1,0,1]=4 3048 B8R1.23 NC1CC(C1)C(=O)O MCULE-9051964103 [0,0,0,1,0,1|1,0,1]=4 3049 B8R1.23 N[C@H]1C[C@@H](C1)C(=O)O MCULE-1844060803 [0,0,0,1,0,1|1,0,1]=4 3050 B8R1.23 N[C@H]1C[C@@H](C1)C(=O)O MCULE-2707924504 [0,0,0,1,0,1|1,0,1]=4 3051 B8R1.23 N[C@H]1C[C@H](C1)C(=O)O MCULE-3847725342 [0,0,0,1,0,1|1,0,1]=4 3052 B8R1.23 N[C@H]1C[C@H](C1)C(=O)O MCULE-4578532365 [0,0,0,1,0,1|1,0,1]=4 3053 B8R1.23 O=C(O)C1CC(C1)Br MCULE-8162503332 [0,0,0,1,0,1|1,0,1]=4 3054 B8R1.23 O=C(O)C1CC(C1)Cl MCULE-7489933597 [0,0,0,1,0,1|1,0,1]=4 3055 B8R1.23 O=C(O)C1CC(C1)F MCULE-7905028761 [0,0,0,1,0,1|1,0,1]=4 3056 B8R1.23 O=C(O)C1CC(C1)O MCULE-4341192467 [0,0,0,1,0,1|0,0,2]=4 3057 B8R1.23 O=C(O)[C@H]1C[C@@H](C1)Br MCULE-1173253398 [0,0,0,1,0,1|1,0,1]=4 3058 B8R1.23 O=C(O)[C@H]1C[C@@H](C1)F MCULE-4909435716 [0,0,0,1,0,1|1,0,1]=4 3059 B8R1.23 O=C(O)[C@H]1C[C@@H](C1)O MCULE-9908072079 [0,0,0,1,0,1|0,0,2]=4 3060 B8R1.23 O=C(O)[C@H]1C[C@H](C1)Br MCULE-9142067708 [0,0,0,1,0,1|1,0,1]=4 3061 B8R1.23 O=C(O)[C@H]1C[C@H](C1)F MCULE-7816380416 [0,0,0,1,0,1|1,0,1]=4 3062 B8R1.23 O=C(O)[C@H]1C[C@H](C1)O MCULE-5181925767 [0,0,0,1,0,1|0,0,2]=4 3063 B8R1.23 O=C1CC(C1)C(=O)Cl MCULE-5261758509 [0,0,0,1,0,1|1,0,0]=3 3064 B8R1.23 O=C1CC(C1)C(=O)O MCULE-8672788982 [0,0,0,1,0,1|0,0,0]=2 3065 B8R1.23 O=C1CC(N1)C(=O)O MCULE-3167823583 [0,0,0,1,0,1|0,0,0]=2 3066 B8R1.23 O=C1CC(O1)C(=O)O MCULE-1791104685 [0,0,0,1,0,1|0,0,0]=2 3067 B8R1.23 O=C1C[C@@H](N1)C(=O)O MCULE-2118093307 [0,0,0,1,0,1|0,0,0]=2 3068 B8R1.23 O=C1C[C@@H](N1)C(=O)O MCULE-7784171286 [0,0,0,1,0,1|0,0,0]=2 3069 B8R1.23 O=C1C[C@H](N1)C(=O)O MCULE-1255798587 [0,0,0,1,0,1|0,0,0]=2 3070 B8R1.23 O=C1C[C@H](N1)C(=O)O MCULE-6947698869 [0,0,0,1,0,1|0,0,0]=2 3071 B8R1.23 [C@@H]1(C[C@@H](C1)C(=O)O)Cl MCULE-4605935494 [0,0,0,1,0,1|1,0,1]=4 3072 B8R1.35 CC(=O)NCC1CO1 MCULE-8864606081 [0,0,0,1,0,1|1,0,1]=4 3073 B8R1.35 O=C(O)CCC1CC1 MCULE-1377442346 [0,0,0,1,0,1|1,0,1]=4 3074 B8R1.35 O=C(O)CCC1CO1 MCULE-1859826371 [0,0,0,1,0,1|0,0,2]=4 3075 B8R1.35 O=C(O)CNC1CC1 MCULE-7811029224 [0,0,0,1,0,1|1,0,1]=4 3076 B8R1.35 O=C(O)CNC1CC1 MCULE-9104732369 [0,0,0,1,0,1|1,0,1]=4 3077 B8R1.35 O=C(O)COC1CC1 MCULE-2555477617 [0,0,0,1,0,1|1,0,1]=4 3078 B8R1.35 O=C(O)CSC1CC1 MCULE-7890561094 [0,0,0,1,0,1|1,0,1]=4 3079 B8R1.51 CC1(CCC(=O)O1)C MCULE-3069658569 [0,0,0,1,0,1|1,0,1]=4 3080 B8R1.51 CC1(CNC(=O)C1)O MCULE-3317128471 [0,0,0,1,0,1|1,0,1]=4 3081 B8R1.51 CC1(CNC(=O)O1)C MCULE-9188826896 [0,0,0,1,0,1|1,0,1]=4 3082 B8R1.51 CC1(OCC(=O)O1)C MCULE-5121540413 [0,0,0,1,0,1|1,0,1]=4 3083 B8R1.51 CP1(=O)CCC(=O)O1 MCULE-3689691243 [0,0,0,1,0,1|1,0,0]=3 3084 B8R1.51 O=C1CCS(=O)(=O)C1 MCULE-8153139552 [0,0,0,1,0,1|1,0,1]=4 3085 B8R1.51 O=C1CCS(=O)(=O)O1 MCULE-1696670151 [0,0,0,1,0,1|2,0,0]=4 3086 B8R1.77 CC1(CC1C(=O)O)Br MCULE-8354202393 [0,0,0,1,0,1|1,0,1]=4 3087 B8R1.77 CC1(CC1C(=O)O)C MCULE-1018303180 [0,0,0,1,0,1|1,0,1]=4 3088 B8R1.77 CC1(C[C@@H]1C(=O)O)C MCULE-8058233700 [0,0,0,1,0,1|1,0,1]=4 3089 B8R1.77 CC1(C[C@@H]1C(=O)O)C MCULE-8306311088 [0,0,0,1,0,1|1,0,1]=4 3090 B8R1.77 CC1(C[C@H]1C(=O)O)C MCULE-1908265175 [0,0,0,1,0,1|1,0,1]=4 3091 B8R1.77 CC1(OC1C(=O)O)C MCULE-6178976856 [0,0,0,1,0,1|1,0,1]=4 3092 B8R1.1 C=CC1COC(=O)C1 MCULE-5888906344 [0,1,0,1,0,0|1,0,1]=4 3093 B8R1.1 C=CC1COC(=O)C1 MCULE-8602073759 [0,1,0,1,0,0|1,0,1]=4 3094 B8R1.1 C=C[C@@H]1COC(=O)C1 MCULE-1274088394 [0,1,0,1,0,0|1,0,1]=4 3095 B8R1.1 C=C[C@@H]1COC(=O)C1 MCULE-3162707973 [0,1,0,1,0,0|1,0,1]=4 3096 B8R1.1 CC1=COC(=C1)C=O MCULE-9840055188 [0,1,0,1,0,0|1,0,1]=4 3097 B8R1.1 CC1=COC(=N1)C=O MCULE-2083695470 [0,1,0,1,0,0|2,0,0]=4 3098 B8R1.1 CC1=NOC(=C1)C=O MCULE-1834049159 [0,1,0,1,0,0|1,0,1]=4 3099 B8R1.1 CCC1=NNC(=O)C1 MCULE-8387854697 [0,1,0,1,0,0|2,0,0]=4 3100 B8R1.1 CCC1CC(=O)CO1 MCULE-7105024194 [0,1,0,1,0,0|1,0,1]=4 3101 B8R1.1 CCC1COC(=O)C1 MCULE-1996435734 [0,1,0,1,0,0|1,0,1]=4 3102 B8R1.1 COC1=CC(=O)CC1 MCULE-7963656232 [0,1,0,1,0,0|1,0,1]=4 3103 B8R1.1 COC1=CC(=O)OC1 MCULE-9199919492 [0,1,0,1,0,0|0,0,2]=4 3104 B8R1.1 COC1CCC(=O)C1 MCULE-3259977239 [0,1,0,1,0,0|1,0,1]=4 3105 B8R1.1 NCC1=NC(=O)ON1 MCULE-1736493364 [0,1,0,1,0,0|2,0,0]=4 3106 B8R1.1 NCC1=NC(=O)ON1 MCULE-9797025169 [0,1,0,1,0,0|2,0,0]=4 3107 B8R1.1 NCC1=NNC(=O)C1 MCULE-8086231553 [0,1,0,1,0,0|2,0,0]=4 3108 B8R1.1 O=C1C=C(CO1)CBr MCULE-1493137482 [0,1,0,1,0,0|1,0,1]=4 3109 B8R1.1 O=C1C=C(CO1)CI MCULE-7834471824 [0,1,0,1,0,0|1,0,1]=4 3110 B8R1.1 O=C1C=C(CO1)CO MCULE-9263407854 [0,1,0,1,0,0|0,0,2]=4 3111 B8R1.1 O=C1CC(CO1)CO MCULE-7403068263 [0,1,0,1,0,0|0,0,2]=4 3112 B8R1.1 O=C1CCC(C1)CO MCULE-7524267942 [0,1,0,1,0,0|1,0,1]=4 3113 B8R1.1 O=C1CC[C@@H](C1)CO MCULE-2590805877 [0,1,0,1,0,0|1,0,1]=4 3114 B8R1.1 O=C1CC[C@@H](C1)CO MCULE-7134607780 [0,1,0,1,0,0|1,0,1]=4 3115 B8R1.1 O=C1CS/C(=N/O)/N1 MCULE-9299576383 [0,1,0,1,0,0|1,1,0]=4 3116 B8R1.1 O=CC1COC(=O)C1 MCULE-7312168752 [0,1,0,1,0,0|0,0,1]=3 3117 B8R1.1 [C@@H]1(COC(=O)C1)C=C MCULE-1356778810 [0,1,0,1,0,0|1,0,1]=4 3118 B8R1.4 CC1=CC(=O)NON1 MCULE-9289039883 [0,1,0,1,0,0|1,0,1]=4 3119 B8R1.4 CC1=CC(=O)OCC1 MCULE-1467184061 [0,1,0,1,0,0|1,0,1]=4 3120 B8R1.4 CC1=CC=NC(=O)C1 MCULE-4882777367 [0,1,0,1,0,0|2,0,0]=4 3121 B8R1.4 CC1=CCCC(=O)C1 MCULE-8078773996 [0,1,0,1,0,0|2,0,0]=4 3122 B8R1.4 CC1=CN=NC(=O)C1 MCULE-7693429104 [0,1,0,1,0,0|2,0,0]=4 3123 B8R1.4 CC1CC(=O)CCO1 MCULE-3051168755 [0,1,0,1,0,0|1,0,1]=4 3124 B8R1.4 CC1CCOC(=O)C1 MCULE-2682865017 [0,1,0,1,0,0|1,0,1]=4 3125 B8R1.4 CN1CCOC(=O)C1 MCULE-2224720964 [0,1,0,1,0,0|2,0,0]=4 3126 B8R1.4 CN1CCOC(=O)C1 MCULE-9163078129 [0,1,0,1,0,0|2,0,0]=4 3127 B8R1.4 C[C@@H]1CC(=O)CCO1 MCULE-4878813100 [0,1,0,1,0,0|1,0,1]=4 3128 B8R1.4 C[C@@H]1CC(=O)CCO1 MCULE-7917159022 [0,1,0,1,0,0|1,0,1]=4 3129 B8R1.4 C[C@H]1CC(=O)CCO1 MCULE-7799394182 [0,1,0,1,0,0|1,0,1]=4 3130 B8R1.4 NC1=CC(=O)COC1 MCULE-7765608843 [0,1,0,1,0,0|1,0,1]=4 3131 B8R1.4 NC1COCC(=O)C1 MCULE-4958107203 [0,1,0,1,0,0|1,0,1]=4 3132 B8R1.4 NC1COCC(=O)C1 MCULE-9645630994 [0,1,0,1,0,0|1,0,1]=4 3133 B8R1.4 N[C@@H]1COCC(=O)C1 MCULE-3299834957 [0,1,0,1,0,0|1,0,1]=4 3134 B8R1.4 N[C@@H]1COCC(=O)C1 MCULE-6683156371 [0,1,0,1,0,0|1,0,1]=4 3135 B8R1.4 O=C1C=C(CCC1)O MCULE-5615245957 [0,1,0,1,0,0|1,0,1]=4 3136 B8R1.4 O=C1C=C(COC1)O MCULE-2385941614 [0,1,0,1,0,0|0,0,2]=4 3137 B8R1.4 O=C1C=CNC(=O)C1 MCULE-7422070219 [0,1,0,1,0,0|1,0,1]=4 3138 B8R1.4 O=C1C=COC(=O)C1 MCULE-9289887221 [0,1,0,1,0,0|0,0,1]=3 3139 B8R1.4 O=C1CC(=O)NC=N1 MCULE-1818472509 [0,1,0,1,0,0|1,0,1]=4 3140 B8R1.4 O=C1CC(CCN1)O MCULE-5400068518 [0,1,0,1,0,0|1,0,1]=4 3141 B8R1.4 O=C1CC(CCN1)O MCULE-8702086069 [0,1,0,1,0,0|1,0,1]=4 3142 B8R1.4 O=C1CCCC(=O)C1 MCULE-7494421285 [0,1,0,1,0,0|1,0,0]=3 3143 B8R1.4 O=C1CCCC(=O)N1 MCULE-7505150579 [0,1,0,1,0,0|2,0,0]=4 3144 B8R1.4 O=C1CCCC(=O)O1 MCULE-4866925975 [0,1,0,1,0,0|2,0,0]=4 3145 B8R1.4 O=C1CCCC(C1)O MCULE-3100717907 [0,1,0,1,0,0|1,0,1]=4 3146 B8R1.4 O=C1CCC[C@@H](C1)O MCULE-3841179351 [0,1,0,1,0,0|1,0,1]=4 3147 B8R1.4 O=C1CCNC(=O)C1 MCULE-7662080105 [0,1,0,1,0,0|1,0,0]=3 3148 B8R1.4 O=C1CCNC(=O)N1 MCULE-8986910982 [0,1,0,1,0,0|2,0,0]=4 3149 B8R1.4 O=C1CCNC(=O)O1 MCULE-8298722634 [0,1,0,1,0,0|2,0,0]=4 3150 B8R1.4 O=C1CCOC(=O)C1 MCULE-3134133687 [0,1,0,1,0,0|0,0,0]=2 3151 B8R1.4 O=C1CNCC(=O)C1 MCULE-9390215509 [0,1,0,1,0,0|1,0,0]=3 3152 B8R1.4 O=C1CNCC(=O)C1 MCULE-9631657912 [0,1,0,1,0,0|1,0,0]=3 3153 B8R1.4 O=C1CNCC(=O)N1 MCULE-2684405909 [0,1,0,1,0,0|2,0,0]=4 3154 B8R1.4 O=C1CNCC(=O)N1 MCULE-8918860650 [0,1,0,1,0,0|2,0,0]=4 3155 B8R1.4 O=C1COCC(=O)C1 MCULE-1763175933 [0,1,0,1,0,0|0,0,0]=2 3156 B8R1.4 O=C1COCC(=O)N1 MCULE-2640203723 [0,1,0,1,0,0|1,0,0]=3 3157 B8R1.4 O=C1COCC(=O)O1 MCULE-7640970930 [0,1,0,1,0,0|1,0,0]=3 3158 B8R1.4 O=C1COCC(C1)O MCULE-6056926421 [0,1,0,1,0,0|0,0,2]=4 3159 B8R1.4 O=C1CSCC(=O)C1 MCULE-7749510849 [0,1,0,1,0,0|0,1,0]=3 3160 B8R1.4 O=C1CSCC(=O)N1 MCULE-5124635458 [0,1,0,1,0,0|1,1,0]=4 3161 B8R1.4 O=C1CSCC(=O)O1 MCULE-6767203470 [0,1,0,1,0,0|1,1,0]=4 3162 B8R1.4 O=C1C[C@@H](CCN1)O MCULE-8279613188 [0,1,0,1,0,0|1,0,1]=4 3163 B8R1.4 O=C1C[C@@H](CCN1)O MCULE-9911849866 [0,1,0,1,0,0|1,0,1]=4 3164 B8R1.4 O=C1C[C@H](CCN1)O MCULE-3843806479 [0,1,0,1,0,0|1,0,1]=4 3165 B8R1.4 O=C1C[C@H](CCN1)O MCULE-9127195212 [0,1,0,1,0,0|1,0,1]=4 3166 B8R1.4 O=C1NCNC(=O)N1 MCULE-7478557250 [0,1,0,1,0,0|2,0,0]=4 3167 B8R1.4 O=C1[CH-]C(=O)COC1 MCULE-6235987509 [0,1,0,1,0,0|0,0,1]=3 3168 B8R1.4 O=C1[CH-]C(=O)COC1 MCULE-9016019550 [0,1,0,1,0,0|0,0,1]=3 3169 B8R1.18 C=C1CC(=O)OC1=O MCULE-1819893564 [0,1,0,1,0,0|0,0,1]=3 3170 B8R1.18 CC1=C(OC(=O)N1)C MCULE-9563427028 [0,1,0,1,0,0|2,0,0]=4 3171 B8R1.18 CC1=C(OC(=O)O1)C MCULE-2205012091 [0,1,0,1,0,0|2,0,0]=4 3172 B8R1.18 CC1=CC(=O)C(O1)C MCULE-7165152063 [0,1,0,1,0,0|1,0,1]=4 3173 B8R1.18 CC1=CC(=O)NC1=O MCULE-3109096484 [0,1,0,1,0,0|1,0,1]=4 3174 B8R1.18 CC1=CC(=O)OC1=O MCULE-1735822163 [0,1,0,1,0,0|0,0,1]=3 3175 B8R1.18 CC1=CC(=O)OC1O MCULE-2111708862 [0,1,0,1,0,0|0,0,2]=4 3176 B8R1.18 CC1=CC(=O)O[C@@H]1O MCULE-3894053073 [0,1,0,1,0,0|0,0,2]=4 3177 B8R1.18 CC1=CC(CC1=O)O MCULE-6348285774 [0,1,0,1,0,0|1,0,1]=4 3178 B8R1.18 CC1=NN(C(=O)C1)C MCULE-3316902396 [0,1,0,1,0,0|2,0,0]=4 3179 B8R1.18 CC1CC(=O)C(O1)C MCULE-9648127298 [0,1,0,1,0,0|1,0,1]=4 3180 B8R1.18 CC1CC(=O)NC1=O MCULE-2962850802 [0,1,0,1,0,0|1,0,1]=4 3181 B8R1.18 CC1CC(=O)OC1=O MCULE-6043315810 [0,1,0,1,0,0|0,0,1]=3 3182 B8R1.18 CC1CC(=O)OC1C MCULE-3906254123 [0,1,0,1,0,0|1,0,1]=4 3183 B8R1.18 CC1CC(=O)OC1O MCULE-7140241012 [0,1,0,1,0,0|0,0,2]=4 3184 B8R1.18 CC1NC(=O)CC1=O MCULE-3973500509 [0,1,0,1,0,0|1,0,0]=3 3185 B8R1.18 CC1NC(=O)NC1=O MCULE-4619149186 [0,1,0,1,0,0|2,0,0]=4 3186 B8R1.18 CC1NC(=O)OC1=O MCULE-5437194910 [0,1,0,1,0,0|1,0,1]=4 3187 B8R1.18 CC1NC(=O)OC1=O MCULE-6711218397 [0,1,0,1,0,0|1,0,1]=4 3188 B8R1.18 CC1OC(=O)C=C1O MCULE-1494473960 [0,1,0,1,0,0|0,0,2]=4 3189 B8R1.18 CC1OC(=O)NC1=O MCULE-8191598152 [0,1,0,1,0,0|1,0,0]=3 3190 B8R1.18 CC1SC(=O)NC1=O MCULE-9249450232 [0,1,0,1,0,0|1,1,0]=4 3191 B8R1.18 CN1CC(=O)CC1=O MCULE-9941627549 [0,1,0,1,0,0|1,0,0]=3 3192 B8R1.18 CN1CC(=O)NC1=O MCULE-6246850639 [0,1,0,1,0,0|2,0,0]=4 3193 B8R1.18 CN1CC(=O)OC1=O MCULE-7537862268 [0,1,0,1,0,0|1,0,0]=3 3194 B8R1.18 CN1CC(CC1=O)O MCULE-3900359646 [0,1,0,1,0,0|1,0,1]=4 3195 B8R1.18 CN1C[C@@H](CC1=O)O MCULE-6983684031 [0,1,0,1,0,0|1,0,1]=4 3196 B8R1.18 CN1C[C@@H](CC1=O)O MCULE-9036883490 [0,1,0,1,0,0|1,0,1]=4 3197 B8R1.18 CN1C[C@H](CC1=O)O MCULE-1129246553 [0,1,0,1,0,0|1,0,1]=4 3198 B8R1.18 CN1C[C@H](CC1=O)O MCULE-3762455862 [0,1,0,1,0,0|1,0,1]=4 3199 B8R1.18 CN1N=C(CC1=O)Br MCULE-9723014196 [0,1,0,1,0,0|2,0,0]=4 3200 B8R1.18 CN1NC(=N)CC1=O MCULE-1189353766 [0,1,0,1,0,0|2,0,0]=4 3201 B8R1.18 CN1OC(=CC1=O)N MCULE-9415679355 [0,1,0,1,0,0|1,0,1]=4 3202 B8R1.18 CN1OC(=O)C=C1N MCULE-3196224067 [0,1,0,1,0,0|1,0,1]=4 3203 B8R1.18 C[C@@H]1CC(=O)NC1=O MCULE-9043552998 [0,1,0,1,0,0|1,0,1]=4 3204 B8R1.18 C[C@@H]1NC(=O)NC1=O MCULE-1126054848 [0,1,0,1,0,0|2,0,0]=4 3205 B8R1.18 C[C@@H]1NC(=O)OC1=O MCULE-3338806314 [0,1,0,1,0,0|1,0,1]=4 3206 B8R1.18 C[C@@H]1NC(=O)OC1=O MCULE-9892061668 [0,1,0,1,0,0|1,0,1]=4 3207 B8R1.18 C[C@H]1CC(=O)OC1=O MCULE-7764909201 [0,1,0,1,0,0|0,0,1]=3 3208 B8R1.18 C[C@H]1CC(=O)O[C@H]1C MCULE-7756599719 [0,1,0,1,0,0|1,0,1]=4 3209 B8R1.18 C[C@H]1NC(=O)NC1=O MCULE-5443325319 [0,1,0,1,0,0|2,0,0]=4 3210 B8R1.18 C[C@H]1NC(=O)OC1=O MCULE-2658468572 [0,1,0,1,0,0|1,0,1]=4 3211 B8R1.18 C[C@H]1NC(=O)OC1=O MCULE-9205776561 [0,1,0,1,0,0|1,0,1]=4 3212 B8R1.18 NC1CC(=O)NC1=O MCULE-6692452440 [0,1,0,1,0,0|2,0,0]=4 3213 B8R1.18 NC1CC(=O)NC1=O MCULE-8447671567 [0,1,0,1,0,0|2,0,0]=4 3214 B8R1.18 NC1CC(=O)OC1=O MCULE-1406790351 [0,1,0,1,0,0|1,0,1]=4 3215 B8R1.18 NC1CC(=O)OC1=O MCULE-2807590870 [0,1,0,1,0,0|1,0,1]=4 3216 B8R1.18 NC1SC(=O)NC1=O MCULE-8460816262 [0,1,0,1,0,0|1,1,0]=4 3217 B8R1.18 NN1CC(=O)NC1=O MCULE-6319474334 [0,1,0,1,0,0|2,0,0]=4 3218 B8R1.18 NN1CC(=O)NC1=O MCULE-7370713803 [0,1,0,1,0,0|2,0,0]=4 3219 B8R1.18 N[C@@H]1CC(=O)NC1=O MCULE-1292090753 [0,1,0,1,0,0|2,0,0]=4 3220 B8R1.18 N[C@@H]1CC(=O)NC1=O MCULE-9676397018 [0,1,0,1,0,0|2,0,0]=4 3221 B8R1.18 N[C@@H]1CC(=O)OC1=O MCULE-1937927503 [0,1,0,1,0,0|1,0,1]=4 3222 B8R1.18 N[C@@H]1CC(=O)OC1=O MCULE-2080587685 [0,1,0,1,0,0|1,0,1]=4 3223 B8R1.18 N[C@@H]1CC(=O)OC1=O MCULE-8793349665 [0,1,0,1,0,0|1,0,1]=4 3224 B8R1.18 N[C@@H]1CC(=O)OC1=O MCULE-9640337170 [0,1,0,1,0,0|1,0,1]=4 3225 B8R1.18 N[C@H]1CC(=O)NC1=O MCULE-1052396743 [0,1,0,1,0,0|2,0,0]=4 3226 B8R1.18 N[C@H]1CC(=O)NC1=O MCULE-1965803095 [0,1,0,1,0,0|2,0,0]=4 3227 B8R1.18 N[C@H]1CC(=O)OC1=O MCULE-3191926438 [0,1,0,1,0,0|1,0,1]=4 3228 B8R1.18 N[C@H]1CC(=O)OC1=O MCULE-4503342222 [0,1,0,1,0,0|1,0,1]=4 3229 B8R1.18 O=C1C=C(C(=O)O1)Br MCULE-2984870530 [0,1,0,1,0,0|1,0,1]=4 3230 B8R1.18 O=C1C=C(C(O1)O)Cl MCULE-9764142144 [0,1,0,1,0,0|1,0,1]=4 3231 B8R1.18 O=C1CC(=C(O1)Br)O MCULE-8632709834 [0,1,0,1,0,0|0,0,2]=4 3232 B8R1.18 O=C1NC(=O)C(N1)Br MCULE-9177153028 [0,1,0,1,0,0|2,0,0]=4 3233 B8R1.18 O=C1NC(=O)C(S1)Br MCULE-7635505691 [0,1,0,1,0,0|1,1,0]=4 3234 B8R1.31 C1(CCN1C)C(=O)O MCULE-3478640390 [0,1,0,1,0,0|2,0,0]=4 3235 B8R1.31 C=C1CCC1C(=O)O MCULE-7307560863 [0,1,0,1,0,0|1,0,0]=3 3236 B8R1.31 CC1CCC1C(=O)O MCULE-2755332087 [0,1,0,1,0,0|1,0,1]=4 3237 B8R1.31 CC1CNC1C(=O)O MCULE-4084486339 [0,1,0,1,0,0|1,0,1]=4 3238 B8R1.31 CC1NCC1C(=O)O MCULE-3701314568 [0,1,0,1,0,0|1,0,1]=4 3239 B8R1.31 CN1CCC1C(=O)O MCULE-5037838055 [0,1,0,1,0,0|2,0,0]=4 3240 B8R1.31 CN1CC[C@@H]1C(=O)O MCULE-3293015609 [0,1,0,1,0,0|2,0,0]=4 3241 B8R1.31 CN1CC[C@@H]1C(=O)O MCULE-6726499104 [0,1,0,1,0,0|2,0,0]=4 3242 B8R1.31 CN1CC[C@H]1C(=O)O MCULE-1519401164 [0,1,0,1,0,0|2,0,0]=4 3243 B8R1.31 CN1CC[C@H]1C(=O)O MCULE-2682368839 [0,1,0,1,0,0|2,0,0]=4 3244 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O MCULE-6870930523 [0,1,0,1,0,0|1,0,1]=4 3245 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O MCULE-9495962068 [0,1,0,1,0,0|1,0,1]=4 3246 B8R1.31 C[C@@H]1NC[C@H]1C(=O)O MCULE-4996743185 [0,1,0,1,0,0|1,0,1]=4 3247 B8R1.31 C[C@@H]1NC[C@H]1C(=O)O MCULE-5548697786 [0,1,0,1,0,0|1,0,1]=4 3248 B8R1.31 NC1CCC1C(=O)O MCULE-1271890671 [0,1,0,1,0,0|1,0,1]=4 3249 B8R1.31 NC1CCC1C(=O)O MCULE-6203451123 [0,1,0,1,0,0|1,0,1]=4 3250 B8R1.31 N[C@@H]1CC[C@@H]1C(=O)O MCULE-7309195085 [0,1,0,1,0,0|1,0,1]=4 3251 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O MCULE-1231832702 [0,1,0,1,0,0|1,0,1]=4 3252 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O MCULE-4120413857 [0,1,0,1,0,0|1,0,1]=4 3253 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O MCULE-7581321099 [0,1,0,1,0,0|1,0,1]=4 3254 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O MCULE-8814127531 [0,1,0,1,0,0|1,0,1]=4 3255 B8R1.31 N[C@H]1CC[C@@H]1C(=O)O MCULE-1877122488 [0,1,0,1,0,0|1,0,1]=4 3256 B8R1.31 N[C@H]1CC[C@H]1C(=O)O MCULE-2323153571 [0,1,0,1,0,0|1,0,1]=4 3257 B8R1.31 N[C@H]1CC[C@H]1C(=O)O MCULE-3627026930 [0,1,0,1,0,0|1,0,1]=4 3258 B8R1.31 N[C@H]1CC[C@H]1C(=O)O MCULE-3814908416 [0,1,0,1,0,0|1,0,1]=4 3259 B8R1.31 N[C@H]1CC[C@H]1C(=O)O MCULE-8552378194 [0,1,0,1,0,0|1,0,1]=4 3260 B8R1.31 O=C(O)C1CCC1F MCULE-6928594613 [0,1,0,1,0,0|1,0,1]=4 3261 B8R1.31 O=C(O)C1CCC1O MCULE-5612797663 [0,1,0,1,0,0|0,0,2]=4 3262 B8R1.31 O=C(O)[C@@H]1CC[C@H]1O MCULE-4502275905 [0,1,0,1,0,0|0,0,2]=4 3263 B8R1.31 O=C(O)[C@H]1CC[C@@H]1O MCULE-1446557503 [0,1,0,1,0,0|0,0,2]=4 3264 B8R1.31 [C@@H]1(CC[C@@H]1C(=O)O)N MCULE-3693378535 [0,1,0,1,0,0|1,0,1]=4 3265 B8R1.31 [C@@H]1(CC[C@@H]1C(=O)O)N MCULE-4998471402 [0,1,0,1,0,0|1,0,1]=4 3266 B8R1.31 [C@@H]1(CC[C@H]1C(=O)O)N MCULE-1179436878 [0,1,0,1,0,0|1,0,1]=4 3267 B8R1.31 [C@@H]1(CC[C@H]1C(=O)O)N MCULE-6666180327 [0,1,0,1,0,0|1,0,1]=4 3268 B8R1.31 [C@@H]1(NC[C@H]1C)C(=O)O MCULE-4107819391 [0,1,0,1,0,0|1,0,1]=4 3269 B8R1.34 CC(=O)C=C1COC1 MCULE-2230856373 [0,1,0,1,0,0|1,0,1]=4 3270 B8R1.34 CC(=O)CC1COC1 MCULE-8127220146 [0,1,0,1,0,0|1,0,1]=4 3271 B8R1.34 O=C(O)C=C1CCC1 MCULE-7015909117 [0,1,0,1,0,0|1,0,1]=4 3272 B8R1.34 O=C(O)CC1CCC1 MCULE-3720911045 [0,1,0,1,0,0|1,0,1]=4 3273 B8R1.34 O=C(O)CC1CCN1 MCULE-4161960358 [0,1,0,1,0,0|1,0,1]=4 3274 B8R1.34 O=C(O)CC1CCO1 MCULE-7021545652 [0,1,0,1,0,0|0,0,2]=4 3275 B8R1.34 O=C(O)CC1CNC1 MCULE-4671495498 [0,1,0,1,0,0|1,0,1]=4 3276 B8R1.34 O=C(O)CC1CNC1 MCULE-5456583939 [0,1,0,1,0,0|1,0,1]=4 3277 B8R1.34 O=C(O)CC1CNC1 MCULE-9655427403 [0,1,0,1,0,0|1,0,1]=4 3278 B8R1.34 O=C(O)CC1COC1 MCULE-1090518485 [0,1,0,1,0,0|0,0,2]=4 3279 B8R1.34 O=C(O)CC1CSC1 MCULE-1573505481 [0,1,0,1,0,0|0,1,1]=4 3280 B8R1.34 O=C(O)CN1CCC1 MCULE-2649525817 [0,1,0,1,0,0|2,0,0]=4 3281 B8R1.34 O=C(O)CN1CCC1 MCULE-6889274435 [0,1,0,1,0,0|2,0,0]=4 3282 B8R1.40 COC(=O)C=C1CC1 MCULE-9046312556 [0,1,0,1,0,0|1,0,1]=4 3283 B8R1.40 COC(=O)CC1CC1 MCULE-5556326610 [0,1,0,1,0,0|1,0,1]=4 3284 B8R1.40 COC(=O)CC1CO1 MCULE-1978729257 [0,1,0,1,0,0|0,0,2]=4 3285 B8R1.40 COC(=O)C[C@@H]1CO1 MCULE-5425441463 [0,1,0,1,0,0|0,0,2]=4 3286 B8R1.42 CC1(CC1)CC(=O)O MCULE-1590977154 [0,1,0,1,0,0|1,0,1]=4 3287 B8R1.42 CC1(N=N1)CC(=O)O MCULE-1987955811 [0,1,0,1,0,0|1,0,1]=4 3288 B8R1.42 NC1(CC1)CC(=O)O MCULE-3593224967 [0,1,0,1,0,0|1,0,1]=4 3289 B8R1.42 NC1(CC1)CC(=O)O MCULE-8049209917 [0,1,0,1,0,0|1,0,1]=4 3290 B8R1.42 O=C(O)CC1(CC1)O MCULE-1745399123 [0,1,0,1,0,0|0,0,2]=4 3291 B8R1.43 C#CC1CC1C(=O)O MCULE-3287712150 [0,1,0,1,0,0|1,0,1]=4 3292 B8R1.43 C#C[C@@H]1C[C@H]1C(=O)O MCULE-3682886945 [0,1,0,1,0,0|1,0,1]=4 3293 B8R1.43 C#C[C@H]1C[C@@H]1C(=O)O MCULE-7332146893 [0,1,0,1,0,0|1,0,1]=4 3294 B8R1.43 C#C[C@H]1C[C@@H]1C(=O)O MCULE-8247580113 [0,1,0,1,0,0|1,0,1]=4 3295 B8R1.43 C#C[C@H]1C[C@H]1C(=O)O MCULE-7681925135 [0,1,0,1,0,0|1,0,1]=4 3296 B8R1.43 C=C[C@@H]1C[C@H]1C(=O)O MCULE-6323262453 [0,1,0,1,0,0|1,0,1]=4 3297 B8R1.43 C=C[C@H]1C[C@H]1C(=O)O MCULE-6983531899 [0,1,0,1,0,0|1,0,1]=4 3298 B8R1.43 CCC1CC1C(=O)O MCULE-2993174891 [0,1,0,1,0,0|1,0,1]=4 3299 B8R1.43 CC[C@@H]1C[C@H]1C(=O)O MCULE-8944777861 [0,1,0,1,0,0|1,0,1]=4 3300 B8R1.43 COC1CC1C(=O)O MCULE-8490015991 [0,1,0,1,0,0|0,0,2]=4 3301 B8R1.43 N#CC1CC1C(=O)O MCULE-9124706645 [0,1,0,1,0,0|1,0,1]=4 3302 B8R1.43 N#C[C@@H]1C[C@H]1C(=O)O MCULE-5445653149 [0,1,0,1,0,0|1,0,1]=4 3303 B8R1.43 N#C[C@@H]1C[C@H]1C(=O)O MCULE-6130530861 [0,1,0,1,0,0|1,0,1]=4 3304 B8R1.43 N#C[C@H]1C[C@H]1C(=O)O MCULE-3330628556 [0,1,0,1,0,0|1,0,1]=4 3305 B8R1.43 N#C[C@H]1C[C@H]1C(=O)O MCULE-6684718700 [0,1,0,1,0,0|1,0,1]=4 3306 B8R1.43 NCC1CC1C(=O)O MCULE-8216751454 [0,1,0,1,0,0|1,0,1]=4 3307 B8R1.43 NC[C@@H]1C[C@H]1C(=O)O MCULE-3415372050 [0,1,0,1,0,0|1,0,1]=4 3308 B8R1.43 NC[C@@H]1C[C@H]1C(=O)O MCULE-6765918556 [0,1,0,1,0,0|1,0,1]=4 3309 B8R1.43 O=C(O)C1CC1CCl MCULE-8596410287 [0,1,0,1,0,0|1,0,1]=4 3310 B8R1.43 O=C(O)C1CC1CF MCULE-8263605468 [0,1,0,1,0,0|1,0,1]=4 3311 B8R1.43 O=C(O)C1CC1CO MCULE-5433690867 [0,1,0,1,0,0|0,0,2]=4 3312 B8R1.43 O=C(O)[C@@H]1C[C@H]1CCl MCULE-7560724994 [0,1,0,1,0,0|1,0,1]=4 3313 B8R1.43 O=C(O)[C@@H]1C[C@H]1CO MCULE-9657133495 [0,1,0,1,0,0|0,0,2]=4 3314 B8R1.43 O=C(O)[C@H]1C[C@@H]1CO MCULE-1395497386 [0,1,0,1,0,0|0,0,2]=4 3315 B8R1.43 [C@@H]1(C[C@H]1C(=O)O)C#N MCULE-9124193326 [0,1,0,1,0,0|1,0,1]=4 3316 B8R1.43 [C@H]1(C[C@H]1C(=O)O)C#N MCULE-3751215343 [0,1,0,1,0,0|1,0,1]=4 3317 B8R1.62 CC1(CC(=O)C1)CO MCULE-4643412830 [0,1,0,1,0,0|1,0,1]=4 3318 B8R1.67 C[C@H]1[C@H]([C@@H]1C(=O)O)C MCULE-2637094670 [0,1,0,1,0,0|1,0,1]=4 3319 B8R1.83 COC(=O)C1CC1Br MCULE-8891645401 [0,1,0,1,0,0|1,0,1]=4 3320 B8R1.83 COC(=O)C1CC1C MCULE-9202068586 [0,1,0,1,0,0|1,0,1]=4 3321 B8R1.83 COC(=O)[C@@H]1C[C@@H]1Br MCULE-3965032710 [0,1,0,1,0,0|1,0,1]=4 3322 B8R1.83 COC(=O)[C@H]1C[C@@H]1Br MCULE-9083522272 [0,1,0,1,0,0|1,0,1]=4 3323 B8R1.30 CC1(CC1Br)C(=O)O MCULE-8673991477 [0,1,0,1,0,0|1,0,1]=4 3324 B8R1.30 CC1(CC1F)C(=O)O MCULE-8465675013 [0,1,0,1,0,0|1,0,1]=4 3325 B8R1.30 CC1CC1(C)C(=O)O MCULE-8330983425 [0,1,0,1,0,0|1,0,1]=4 3326 B8R1.30 C[C@@]1(C[C@@H]1Br)C(=O)O MCULE-1474744945 [0,1,0,1,0,0|1,0,1]=4 3327 B8R1.30 C[C@]1(C[C@@H]1F)C(=O)O MCULE-3210206701 [0,1,0,1,0,0|1,0,1]=4 3328 B8R1.30 C[C@]1(C[C@H]1F)C(=O)O MCULE-6362421682 [0,1,0,1,0,0|1,0,1]=4 3329 B8R1.30 C[C@]1(C[C@H]1F)C(=O)O MCULE-9963754001 [0,1,0,1,0,0|1,0,1]=4 3330 B8R1.50 CC1=C(C(=O)CO1)O MCULE-9541217217 [0,1,0,1,0,0|1,0,1]=4 3331 B8R1.50 CC1=C(C(=O)OC1)O MCULE-7870847121 [0,1,0,1,0,0|1,0,1]=4 3332 B8R1.50 CC1=C(CCC1=O)O MCULE-6367252690 [0,1,0,1,0,0|1,0,1]=4 3333 B8R1.50 CC1=C(COC1=O)Br MCULE-6953448957 [0,1,0,1,0,0|1,0,1]=4 3334 B8R1.50 CC1=C(COC1=O)O MCULE-4822806082 [0,1,0,1,0,0|0,0,2]=4 3335 B8R1.50 CC1=C(OCC1=O)O MCULE-1835077768 [0,1,0,1,0,0|0,0,2]=4 3336 B8R1.50 CC1=NNC(=O)C1Br MCULE-4287701930 [0,1,0,1,0,0|2,0,0]=4 3337 B8R1.50 CC1=NNC(=O)C1C MCULE-5835053937 [0,1,0,1,0,0|2,0,0]=4 3338 B8R1.50 CC1=NOC(=O)C1C MCULE-6668573558 [0,1,0,1,0,0|1,0,0]=3 3339 B8R1.50 CC1C(=O)CCC1=O MCULE-4418458735 [0,1,0,1,0,0|1,0,0]=3 3340 B8R1.50 CC1C(=O)COC1=O MCULE-4188541096 [0,1,0,1,0,0|0,0,0]=2 3341 B8R1.50 CC1OCC(=O)C1C MCULE-5834923125 [0,1,0,1,0,0|1,0,1]=4 3342 B8R1.50 CN1C(=O)CCC1=O MCULE-6726005566 [0,1,0,1,0,0|2,0,0]=4 3343 B8R1.50 CN1C(=O)CNC1=O MCULE-8997643894 [0,1,0,1,0,0|2,0,0]=4 3344 B8R1.50 CN1C(=O)COC1=O MCULE-1190604947 [0,1,0,1,0,0|1,0,0]=3 3345 B8R1.50 CN1C(=O)CSC1=O MCULE-8837313577 [0,1,0,1,0,0|1,1,0]=4 3346 B8R1.50 NN1C(=O)CCC1=O MCULE-4432056181 [0,1,0,1,0,0|2,0,0]=4 3347 B8R1.50 NN1C(=O)CCC1=O MCULE-8224510852 [0,1,0,1,0,0|2,0,0]=4 3348 B8R1.50 NN1C(=O)CNC1=O MCULE-3172416594 [0,1,0,1,0,0|2,0,0]=4 3349 B8R1.50 O=C1CCC(=C1F)O MCULE-4719137849 [0,1,0,1,0,0|1,0,1]=4 3350 B8R1.50 O=C1CCC(=O)C1Br MCULE-7463233898 [0,1,0,1,0,0|1,0,0]=3 3351 B8R1.50 O=C1CCC(=O)C1Cl MCULE-9440848782 [0,1,0,1,0,0|1,0,0]=3 3352 B8R1.50 O=C1CCC(=O)N1Br MCULE-6561724377 [0,1,0,1,0,0|2,0,0]=4 3353 B8R1.50 O=C1CCC(=O)N1Cl MCULE-3093539402 [0,1,0,1,0,0|2,0,0]=4 3354 B8R1.50 O=C1CCC(=O)N1I MCULE-8261967194 [0,1,0,1,0,0|2,0,0]=4 3355 B8R1.50 O=C1CCC(=O)N1O MCULE-5478278340 [0,1,0,1,0,0|2,0,0]=4 3356 B8R1.50 O=C1COC(=O)C1Br MCULE-7458581655 [0,1,0,1,0,0|0,0,0]=2 3357 B8R1.50 O=C1COC(=O)C1Cl MCULE-1326411169 [0,1,0,1,0,0|0,0,0]=2 3358 B8R1.50 O=C1OCC(=C1Br)Br MCULE-4636963042 [0,1,0,1,0,0|1,0,1]=4 3359 B8R1.50 O=C1OCC(=C1Br)O MCULE-3463044896 [0,1,0,1,0,0|0,0,2]=4 3360 B8R1.50 O=C1OCC(=C1Cl)Cl MCULE-1730099484 [0,1,0,1,0,0|1,0,1]=4 3361 B8R1.50 O=C1OCC(C1O)O MCULE-9766741798 [0,1,0,1,0,0|0,0,2]=4 3362 B8R1.50 O=C1OC[C@@H]([C@@H]1Br)O MCULE-5447777048 [0,1,0,1,0,0|0,0,2]=4 3363 B8R1.50 O=C1OC[C@@H]([C@@H]1Br)O MCULE-8691985034 [0,1,0,1,0,0|0,0,2]=4 3364 B8R1.50 O=C1OC[C@@H]([C@@H]1O)O MCULE-8629460196 [0,1,0,1,0,0|0,0,2]=4 3365 B8R1.50 O=C1OC[C@@H]([C@H]1O)O MCULE-7303431003 [0,1,0,1,0,0|0,0,2]=4 3366 B8R1.50 O=C1OC[C@H]([C@H]1O)O MCULE-4704805755 [0,1,0,1,0,0|0,0,2]=4 3367 B8R1.50 O=C1OC[C@H]([C@H]1O)O MCULE-7070309718 [0,1,0,1,0,0|0,0,2]=4 3368 B8R1.50 O=C1OC[C@H]([C@H]1O)O MCULE-7824820688 [0,1,0,1,0,0|0,0,2]=4 3369 B8R1.54 C(N)(C(=O)O)C1CC1 MCULE-4833544032 [0,1,0,1,0,0|1,0,1]=4 3370 B8R1.54 CC(=C1CC1)C(=O)O MCULE-5864255450 [0,1,0,1,0,0|1,0,1]=4 3371 B8R1.54 CC(C(=O)O)C1CC1 MCULE-9343385076 [0,1,0,1,0,0|1,0,1]=4 3372 B8R1.54 NC(C(=O)O)C1CC1 MCULE-1974514713 [0,1,0,1,0,0|1,0,1]=4 3373 B8R1.54 NC(C(=O)O)C1CC1 MCULE-3126466096 [0,1,0,1,0,0|1,0,1]=4 3374 B8R1.54 N[C@@H](C(=O)O)C1CC1 MCULE-5662004537 [0,1,0,1,0,0|1,0,1]=4 3375 B8R1.54 N[C@@H](C(=O)O)C1CC1 MCULE-9004548949 [0,1,0,1,0,0|1,0,1]=4 3376 B8R1.54 N[C@H](C(=O)O)C1CC1 MCULE-4323013494 [0,1,0,1,0,0|1,0,1]=4 3377 B8R1.54 N[C@H](C(=O)O)C1CC1 MCULE-9475774396 [0,1,0,1,0,0|1,0,1]=4 3378 B8R1.54 O=C(O)C(F)C1CC1 MCULE-4799246955 [0,1,0,1,0,0|1,0,1]=4 3379 B8R1.54 O=C(O)C(O)C1CC1 MCULE-9945035089 [0,1,0,1,0,0|1,0,1]=4 3380 B8R1.54 O=C(O)[C@@H](O)C1CC1 MCULE-2409990996 [0,1,0,1,0,0|1,0,1]=4 3381 B8R1.54 O=C(O)[C@H](O)C1CC1 MCULE-2255829314 [0,1,0,1,0,0|1,0,1]=4 3382 B8R2.18 O=C1CC2OC2C1 MCULE-2497020989 [0,0,0,2,0,0|1,0,1]=4 3383 B8R2.38 O=C1CCC2C1O2 MCULE-5532735099 [0,0,0,2,0,0|1,0,1]=4 3384 B8R0.28 C=C(Br)CCCC(=O)O MCULE-5394609034 [0,0,0,0,0,2|1,0,1]=4 3385 B8R0.28 C=C(C)CCCC(=O)O MCULE-1282031449 [0,0,0,0,0,2|1,0,0]=3 3386 B8R0.28 C=C(Cl)CCCC(=O)O MCULE-9525654231 [0,0,0,0,0,2|1,0,1]=4 3387 B8R0.28 CC(=CCCC(=O)O)C MCULE-5848388333 [0,0,0,0,0,2|1,0,0]=3 3388 B8R0.28 CC(=O)CC=CC(=O)O MCULE-9526483708 [0,0,0,0,0,2|0,0,0]=2 3389 B8R0.28 CC(=O)CCC=C(C)C MCULE-3832720881 [0,0,0,0,0,2|2,0,0]=4 3390 B8R0.28 CC(=O)CCCC(=O)C MCULE-9250637004 [0,0,0,0,0,2|1,0,0]=3 3391 B8R0.28 CC(=O)CCCC(=O)N MCULE-8753142022 [0,0,0,0,0,2|1,0,0]=3 3392 B8R0.28 CC(=O)CCCC(=O)O MCULE-2498129200 [0,0,0,0,0,2|0,0,0]=2 3393 B8R0.28 CC(=O)CCOC(=O)C MCULE-5123903575 [0,0,0,0,0,2|1,0,0]=3 3394 B8R0.28 CC(=O)COCC(=O)C MCULE-1945925794 [0,0,0,0,0,2|1,0,0]=3 3395 B8R0.28 CC(=O)NCCC(=O)N MCULE-6090839432 [0,0,0,0,0,2|1,0,0]=3 3396 B8R0.28 CC(=O)NCCC(=O)O MCULE-8867286578 [0,0,0,0,0,2|0,0,0]=2 3397 B8R0.28 CC(=O)NCCS(=O)C MCULE-1283027669 [0,0,0,0,0,2|2,0,0]=4 3398 B8R0.28 CC(=O)NCNC(=O)C MCULE-3469911833 [0,0,0,0,0,2|1,0,0]=3 3399 B8R0.28 CC(=O)OCC=C(C)C MCULE-1590395935 [0,0,0,0,0,2|2,0,0]=4 3400 B8R0.28 CC(=O)OCCC(=O)O MCULE-6617841906 [0,0,0,0,0,2|0,0,0]=2 3401 B8R0.28 CC(=O)OCOC(=O)C MCULE-9458993444 [0,0,0,0,0,2|1,0,0]=3 3402 B8R0.28 CC(=O)SCCC(=O)Cl MCULE-7772328654 [0,0,0,0,0,2|1,0,0]=3 3403 B8R0.28 CC(=O)SCCC(=O)O MCULE-2263963171 [0,0,0,0,0,2|0,0,0]=2 3404 B8R0.28 CC(C)/C=C/CC(=O)O MCULE-6288178603 [0,0,0,0,0,2|1,0,1]=4 3405 B8R0.28 CC(C)C=CCC(=O)O MCULE-1057297040 [0,0,0,0,0,2|1,0,1]=4 3406 B8R0.28 CC(C)CC=CC(=O)O MCULE-4966710694 [0,0,0,0,0,2|1,0,1]=4 3407 B8R0.28 CC(C)CCCC(=O)O MCULE-3645348479 [0,0,0,0,0,2|1,0,1]=4 3408 B8R0.28 CC(C)CNCC(=O)O MCULE-4695293444 [0,0,0,0,0,2|1,0,1]=4 3409 B8R0.28 CC(C)CNCC(=O)O MCULE-9936739681 [0,0,0,0,0,2|1,0,1]=4 3410 B8R0.28 CC(C)COCC(=O)O MCULE-8643896966 [0,0,0,0,0,2|1,0,1]=4 3411 B8R0.28 CC(C)CSCC(=O)O MCULE-5182400762 [0,0,0,0,0,2|1,0,1]=4 3412 B8R0.28 CC(C)NCCC(=O)O MCULE-2087792459 [0,0,0,0,0,2|1,0,1]=4 3413 B8R0.28 CC(C)NCCC(=O)O MCULE-6893587807 [0,0,0,0,0,2|1,0,1]=4 3414 B8R0.28 CC(C)OCCC(=O)O MCULE-6533666992 [0,0,0,0,0,2|1,0,1]=4 3415 B8R0.28 CC(C)SCCC(=O)O MCULE-1434094352 [0,0,0,0,0,2|1,0,1]=4 3416 B8R0.28 CC(O)CCCC(=O)O MCULE-6696855762 [0,0,0,0,0,2|0,0,2]=4 3417 B8R0.28 CN(C)C/C=C/C(=O)O MCULE-2726508724 [0,0,0,0,0,2|2,0,0]=4 3418 B8R0.28 CN(C)C/C=C/C(=O)O MCULE-2945466855 [0,0,0,0,0,2|2,0,0]=4 3419 B8R0.28 CN(C)CC#CC(=O)O MCULE-3155038032 [0,0,0,0,0,2|2,0,0]=4 3420 B8R0.28 CN(C)CC#CC(=O)O MCULE-3234500613 [0,0,0,0,0,2|2,0,0]=4 3421 B8R0.28 CN(C)CC=CC(=O)O MCULE-5265576987 [0,0,0,0,0,2|2,0,0]=4 3422 B8R0.28 CN(C)CC=CC(=O)O MCULE-6262530852 [0,0,0,0,0,2|2,0,0]=4 3423 B8R0.28 CN(C)CCCC(=O)O MCULE-5562283434 [0,0,0,0,0,2|2,0,0]=4 3424 B8R0.28 CN(C)CCCC(=O)O MCULE-5657963851 [0,0,0,0,0,2|2,0,0]=4 3425 B8R0.28 N=C(N)NCCC(=O)O MCULE-6783592689 [0,0,0,0,0,2|2,0,0]=4 3426 B8R0.28 N=C(N)SCCC(=O)O MCULE-6820090813 [0,0,0,0,0,2|2,0,0]=4 3427 B8R0.28 N=C(N)SCCC(=O)O MCULE-9820250060 [0,0,0,0,0,2|2,0,0]=4 3428 B8R0.28 N=C(S)NCCC(=O)O MCULE-7149670288 [0,0,0,0,0,2|1,1,0]=4 3429 B8R0.28 NC(=O)CCCC(=O)N MCULE-8380308624 [0,0,0,0,0,2|2,0,0]=4 3430 B8R0.28 NC(=O)CCCC(=O)O MCULE-9714346244 [0,0,0,0,0,2|1,0,0]=3 3431 B8R0.28 NC(=O)CNCC(=O)N MCULE-7451569201 [0,0,0,0,0,2|2,0,0]=4 3432 B8R0.28 NC(=O)CNCC(=O)O MCULE-2816922286 [0,0,0,0,0,2|1,0,0]=3 3433 B8R0.28 NC(=O)COCC(=O)O MCULE-3868584388 [0,0,0,0,0,2|1,0,0]=3 3434 B8R0.28 NC(=O)CSCC(=O)N MCULE-1673116541 [0,0,0,0,0,2|2,0,0]=4 3435 B8R0.28 NC(=O)CSCC(=O)O MCULE-1419621262 [0,0,0,0,0,2|1,0,0]=3 3436 B8R0.28 NC(=O)NC=CC(=O)O MCULE-5004188805 [0,0,0,0,0,2|1,0,1]=4 3437 B8R0.28 NC(=O)NCCC(=O)O MCULE-3799706782 [0,0,0,0,0,2|1,0,0]=3 3438 B8R0.28 NC(=O)NCNC(=O)N MCULE-2324881355 [0,0,0,0,0,2|2,0,0]=4 3439 B8R0.28 NC(=O)NN=CC(=O)O MCULE-1954165276 [0,0,0,0,0,2|1,0,1]=4 3440 B8R0.28 NC(=S)SCCC(=O)O MCULE-1371836153 [0,0,0,0,0,2|1,1,0]=4 3441 B8R0.28 O=C(Cl)CCCC(=O)Cl MCULE-6157663188 [0,0,0,0,0,2|2,0,0]=4 3442 B8R0.28 O=C(Cl)COCC(=O)Cl MCULE-4828514058 [0,0,0,0,0,2|2,0,0]=4 3443 B8R0.28 O=C(O)/C=C/CC(=O)O MCULE-3754065542 [0,0,0,0,0,2|1,0,0]=3 3444 B8R0.28 O=C(O)C=CCC(=O)O MCULE-2034660220 [0,0,0,0,0,2|1,0,0]=3 3445 B8R0.28 O=C(O)CCCC(=O)O MCULE-4286022994 [0,0,0,0,0,2|1,0,0]=3 3446 B8R0.28 O=C(O)CCCN(=O)=O MCULE-2601801792 [0,0,0,0,0,2|2,0,0]=4 3447 B8R0.28 O=C(O)CNCC(=O)O MCULE-4131542591 [0,0,0,0,0,2|1,0,0]=3 3448 B8R0.28 O=C(O)COCC(=O)O MCULE-5687758679 [0,0,0,0,0,2|1,0,0]=3 3449 B8R0.28 O=C(O)CSCC(=O)O MCULE-8112166808 [0,0,0,0,0,2|1,0,0]=3 3450 B8R0.28 O=C([O-])CCCC(=O)[O-] MCULE-3809476672 [0,0,0,0,0,2|1,0,1]=4 3451 B8R0.28 O=C([O-])CNCC(=O)[O-] MCULE-1067264838 [0,0,0,0,0,2|1,0,1]=4 3452 B8R0.28 O=C([O-])COCC(=O)O MCULE-3773620396 [0,0,0,0,0,2|1,0,0]=3 3453 B8R0.28 O=C([O-])COCC(=O)O MCULE-5768077440 [0,0,0,0,0,2|1,0,0]=3 3454 B8R0.28 [NH2+](CC(=O)N)CC(=O)N MCULE-7548046822 [0,0,0,0,0,2|2,0,0]=4