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)CC(=O)C MCULE-3534735279 [0,0,0,0,0,0|3,0,0]=3 2 B6R0.2 C=C(C)CC(=O)O MCULE-5404023928 [0,0,0,0,0,0|2,0,0]=2 3 B6R0.2 C=C(C)C[C@@H](C)O MCULE-8518319636 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.2 C=C(C)C[C@H](C)O MCULE-7139115019 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.2 C=C(C)OC(=O)C MCULE-9345377025 [0,0,0,0,0,0|4,0,0]=4 6 B6R0.2 C=C(I)CC(=O)O MCULE-3849925169 [0,0,0,0,0,0|2,0,0]=2 7 B6R0.2 CC(=CC(=O)Cl)C MCULE-7644585609 [0,0,0,0,0,0|3,0,1]=4 8 B6R0.2 CC(=CC(=O)N)C MCULE-6264319579 [0,0,0,0,0,0|2,0,1]=3 9 B6R0.2 CC(=CC(=O)O)C MCULE-4772426340 [0,0,0,0,0,0|2,0,1]=3 10 B6R0.2 CC(=CC(=O)O)Cl MCULE-7503760292 [0,0,0,0,0,0|2,0,1]=3 11 B6R0.2 CC(=CC(=O)O)I MCULE-2652373771 [0,0,0,0,0,0|2,0,1]=3 12 B6R0.2 CC(=CC(=O)O)N MCULE-5894724848 [0,0,0,0,0,0|1,0,1]=2 13 B6R0.2 CC(=CC(=S)N)N MCULE-2731073832 [0,0,0,0,0,0|2,1,1]=4 14 B6R0.2 CC(=N)CC(=O)C MCULE-4678643052 [0,0,0,0,0,0|2,0,1]=3 15 B6R0.2 CC(=O)/C=C(/C)\N MCULE-1235186190 [0,0,0,0,0,0|2,0,1]=3 16 B6R0.2 CC(=O)/C=C(/C)\[O-] MCULE-3445340105 [0,0,0,0,0,0|2,0,2]=4 17 B6R0.2 CC(=O)/C=C(/C)\[O-] MCULE-7833799417 [0,0,0,0,0,0|2,0,2]=4 18 B6R0.2 CC(=O)/C=C(\C)/N MCULE-6412393370 [0,0,0,0,0,0|2,0,1]=3 19 B6R0.2 CC(=O)C=C(C)C MCULE-4922478422 [0,0,0,0,0,0|3,0,1]=4 20 B6R0.2 CC(=O)C=C(C)N MCULE-2247743178 [0,0,0,0,0,0|2,0,1]=3 21 B6R0.2 CC(=O)C=C(C)O MCULE-7345258397 [0,0,0,0,0,0|2,0,1]=3 22 B6R0.2 CC(=O)C=C(C)[O-] MCULE-7733093724 [0,0,0,0,0,0|2,0,2]=4 23 B6R0.2 CC(=O)CC(=O)C MCULE-6481204381 [0,0,0,0,0,0|2,0,0]=2 24 B6R0.2 CC(=O)CC(=O)N MCULE-1618058771 [0,0,0,0,0,0|1,0,0]=1 25 B6R0.2 CC(=O)CC(=O)O MCULE-2601276539 [0,0,0,0,0,0|1,0,0]=1 26 B6R0.2 CC(=O)CC(=O)[O-] MCULE-6317885864 [0,0,0,0,0,0|1,0,1]=2 27 B6R0.2 CC(=O)CC(=O)[O-] MCULE-8448177875 [0,0,0,0,0,0|1,0,1]=2 28 B6R0.2 CC(=O)CC(C)C MCULE-2172909634 [0,0,0,0,0,0|3,0,1]=4 29 B6R0.2 CC(=O)CC(C)N MCULE-1028280795 [0,0,0,0,0,0|2,0,1]=3 30 B6R0.2 CC(=O)CC(C)N MCULE-7911343070 [0,0,0,0,0,0|2,0,1]=3 31 B6R0.2 CC(=O)CC(C)O MCULE-5175367575 [0,0,0,0,0,0|2,0,1]=3 32 B6R0.2 CC(=O)CN(=O)=O MCULE-3153232896 [0,0,0,0,0,0|2,0,1]=3 33 B6R0.2 CC(=O)CN(C)C MCULE-8561521241 [0,0,0,0,0,0|4,0,0]=4 34 B6R0.2 CC(=O)C[C@@H](C)N MCULE-1260669737 [0,0,0,0,0,0|2,0,1]=3 35 B6R0.2 CC(=O)C[C@@H](C)N MCULE-6556661125 [0,0,0,0,0,0|2,0,1]=3 36 B6R0.2 CC(=O)NC(=N)N MCULE-9300028018 [0,0,0,0,0,0|3,0,0]=3 37 B6R0.2 CC(=O)NC(=O)C MCULE-3040534108 [0,0,0,0,0,0|3,0,0]=3 38 B6R0.2 CC(=O)NC(=O)N MCULE-8999775359 [0,0,0,0,0,0|2,0,0]=2 39 B6R0.2 CC(=O)NC(=S)N MCULE-8448117000 [0,0,0,0,0,0|2,1,0]=3 40 B6R0.2 CC(=O)OC(=O)C MCULE-9184217748 [0,0,0,0,0,0|3,0,0]=3 41 B6R0.2 CC(=O)SC(=O)C MCULE-5749449964 [0,0,0,0,0,0|3,0,0]=3 42 B6R0.2 CC(=O)[CH-]C(=O)C MCULE-4855074933 [0,0,0,0,0,0|2,0,1]=3 43 B6R0.2 CC(=O)[CH-]C(=O)C MCULE-6905854247 [0,0,0,0,0,0|2,0,1]=3 44 B6R0.2 CC(Br)CC(=O)O MCULE-3353526571 [0,0,0,0,0,0|2,0,1]=3 45 B6R0.2 CC(Br)CC(=S)N MCULE-3013222937 [0,0,0,0,0,0|2,1,1]=4 46 B6R0.2 CC(C)CC(=N)N MCULE-1578322850 [0,0,0,0,0,0|3,0,1]=4 47 B6R0.2 CC(C)CC(=N)N MCULE-1643115412 [0,0,0,0,0,0|3,0,1]=4 48 B6R0.2 CC(C)CC(=N)N MCULE-9650824038 [0,0,0,0,0,0|3,0,1]=4 49 B6R0.2 CC(C)CC(=O)Cl MCULE-8821231794 [0,0,0,0,0,0|3,0,1]=4 50 B6R0.2 CC(C)CC(=O)N MCULE-7790849976 [0,0,0,0,0,0|2,0,1]=3 51 B6R0.2 CC(C)CC(=O)O MCULE-5805071360 [0,0,0,0,0,0|2,0,1]=3 52 B6R0.2 CC(C)CC(=S)N MCULE-7704222819 [0,0,0,0,0,0|2,1,1]=4 53 B6R0.2 CC(C)NC(=O)N MCULE-2725741897 [0,0,0,0,0,0|3,0,1]=4 54 B6R0.2 CC(C)OC(=O)N MCULE-9996500963 [0,0,0,0,0,0|3,0,1]=4 55 B6R0.2 CC(Cl)CC(=O)Cl MCULE-3323045052 [0,0,0,0,0,0|3,0,1]=4 56 B6R0.2 CC(Cl)CC(=O)O MCULE-1436146199 [0,0,0,0,0,0|2,0,1]=3 57 B6R0.2 CC(F)CC(=O)O MCULE-9214258715 [0,0,0,0,0,0|2,0,1]=3 58 B6R0.2 CC(N)CC(=O)N MCULE-8604112274 [0,0,0,0,0,0|2,0,1]=3 59 B6R0.2 CC(N)CC(=O)N MCULE-8651032460 [0,0,0,0,0,0|2,0,1]=3 60 B6R0.2 CC(N)CC(=O)O MCULE-2960589915 [0,0,0,0,0,0|1,0,1]=2 61 B6R0.2 CC(N)CC(=O)O MCULE-5772407106 [0,0,0,0,0,0|1,0,1]=2 62 B6R0.2 CC(N)CC(=O)O MCULE-7818257350 [0,0,0,0,0,0|1,0,1]=2 63 B6R0.2 CC(N)CC(=O)O MCULE-7847644131 [0,0,0,0,0,0|1,0,1]=2 64 B6R0.2 CC(N)CC(C)O MCULE-7772080010 [0,0,0,0,0,0|2,0,2]=4 65 B6R0.2 CC(N)CS(=O)C MCULE-1278482312 [0,0,0,0,0,0|3,0,1]=4 66 B6R0.2 CC(O)CC(=O)N MCULE-7442557911 [0,0,0,0,0,0|1,0,1]=2 67 B6R0.2 CC(O)CC(=O)O MCULE-3566732882 [0,0,0,0,0,0|1,0,2]=3 68 B6R0.2 CC(O)CC(=O)O MCULE-6537877725 [0,0,0,0,0,0|1,0,2]=3 69 B6R0.2 CC(O)CC(=O)[O-] MCULE-1109368801 [0,0,0,0,0,0|2,0,1]=3 70 B6R0.2 CC(O)CC(=O)[O-] MCULE-5681138302 [0,0,0,0,0,0|2,0,1]=3 71 B6R0.2 CC(O)CN(=O)=O MCULE-1592317283 [0,0,0,0,0,0|3,0,1]=4 72 B6R0.2 CC(O)CN(C)N MCULE-6197492770 [0,0,0,0,0,0|3,0,1]=4 73 B6R0.2 CC(O)CS(=O)C MCULE-2365161952 [0,0,0,0,0,0|3,0,1]=4 74 B6R0.2 CN(C)CC(=O)Cl MCULE-2168217529 [0,0,0,0,0,0|4,0,0]=4 75 B6R0.2 CN(C)CC(=O)Cl MCULE-6810056185 [0,0,0,0,0,0|4,0,0]=4 76 B6R0.2 CN(C)CC(=O)N MCULE-3894706713 [0,0,0,0,0,0|3,0,0]=3 77 B6R0.2 CN(C)CC(=O)O MCULE-2303978039 [0,0,0,0,0,0|3,0,0]=3 78 B6R0.2 CN(C)CC(=O)O MCULE-3368936600 [0,0,0,0,0,0|3,0,0]=3 79 B6R0.2 CN(C)CC(=O)[O-] MCULE-3077067854 [0,0,0,0,0,0|3,0,1]=4 80 B6R0.2 CN(C)CC(=S)N MCULE-3863789639 [0,0,0,0,0,0|3,1,0]=4 81 B6R0.2 CN(C)CC(=S)N MCULE-8756068308 [0,0,0,0,0,0|3,1,0]=4 82 B6R0.2 CN(C)NC(=O)N MCULE-4462686977 [0,0,0,0,0,0|4,0,0]=4 83 B6R0.2 C[C@@H](N)CC(=O)O MCULE-2652696372 [0,0,0,0,0,0|1,0,1]=2 84 B6R0.2 C[C@@H](N)CC(=O)O MCULE-7054489636 [0,0,0,0,0,0|1,0,1]=2 85 B6R0.2 C[C@@H](N)CC(=O)O MCULE-7621851215 [0,0,0,0,0,0|1,0,1]=2 86 B6R0.2 C[C@@H](N)CC(=O)O MCULE-8671397640 [0,0,0,0,0,0|1,0,1]=2 87 B6R0.2 C[C@@H](O)CC(=O)O MCULE-2545577683 [0,0,0,0,0,0|1,0,2]=3 88 B6R0.2 C[C@@H](O)CC(=O)O MCULE-4159227891 [0,0,0,0,0,0|1,0,2]=3 89 B6R0.2 C[C@@H](O)CC(=O)[O-] MCULE-7081161048 [0,0,0,0,0,0|2,0,1]=3 90 B6R0.2 C[C@@H](O)CC(=O)[O-] MCULE-7886150665 [0,0,0,0,0,0|2,0,1]=3 91 B6R0.2 C[C@H](Br)CC(=O)O MCULE-1601745040 [0,0,0,0,0,0|2,0,1]=3 92 B6R0.2 C[C@H](Br)CC(=O)O MCULE-2894930407 [0,0,0,0,0,0|2,0,1]=3 93 B6R0.2 C[C@H](N)CC(=O)O MCULE-2656839691 [0,0,0,0,0,0|1,0,1]=2 94 B6R0.2 C[C@H](N)CC(=O)O MCULE-4695512293 [0,0,0,0,0,0|1,0,1]=2 95 B6R0.2 C[C@H](N)CC(=O)O MCULE-5288044169 [0,0,0,0,0,0|1,0,1]=2 96 B6R0.2 C[C@H](N)CC(=O)O MCULE-6641912058 [0,0,0,0,0,0|1,0,1]=2 97 B6R0.2 C[C@H](O)CC(=O)O MCULE-2857686566 [0,0,0,0,0,0|1,0,2]=3 98 B6R0.2 C[C@H](O)CC(=O)O MCULE-3362266278 [0,0,0,0,0,0|1,0,2]=3 99 B6R0.2 C[C@H](O)CC(=O)[O-] MCULE-3624690550 [0,0,0,0,0,0|2,0,1]=3 100 B6R0.2 C[C@H](O)CC(=O)[O-] MCULE-5550257128 [0,0,0,0,0,0|2,0,1]=3 101 B6R0.2 C[S+](C)CC(=O)[O-] MCULE-1975585935 [0,0,0,0,0,0|3,0,1]=4 102 B6R0.2 C[S+](C)CC(=O)[O-] MCULE-7679949306 [0,0,0,0,0,0|3,0,1]=4 103 B6R0.2 N=C(N)CC(=N)N MCULE-4863741442 [0,0,0,0,0,0|3,0,0]=3 104 B6R0.2 N=C(N)CC(=N)N MCULE-8523596922 [0,0,0,0,0,0|3,0,0]=3 105 B6R0.2 N=C(N)CC(=O)N MCULE-9200673939 [0,0,0,0,0,0|2,0,0]=2 106 B6R0.2 N=C(N)NC(=N)N MCULE-3279959199 [0,0,0,0,0,0|4,0,0]=4 107 B6R0.2 N=C(N)NC(=N)N MCULE-5410461738 [0,0,0,0,0,0|4,0,0]=4 108 B6R0.2 N=C(N)NC(=N)N MCULE-7433325616 [0,0,0,0,0,0|4,0,0]=4 109 B6R0.2 N=C(N)NC(=O)N MCULE-1919966850 [0,0,0,0,0,0|3,0,0]=3 110 B6R0.2 N=C(N)NC(=O)N MCULE-3428379172 [0,0,0,0,0,0|3,0,0]=3 111 B6R0.2 N=C(N)NC(=O)N MCULE-6044803486 [0,0,0,0,0,0|3,0,0]=3 112 B6R0.2 N=C(N)NC(=O)N MCULE-8893931961 [0,0,0,0,0,0|3,0,0]=3 113 B6R0.2 N=C(N)NC(=S)N MCULE-9372871737 [0,0,0,0,0,0|3,1,0]=4 114 B6R0.2 N=C(N)NN(=O)=O MCULE-1616315638 [0,0,0,0,0,0|3,0,1]=4 115 B6R0.2 N=C(N)OC(=[NH2+])N MCULE-1040352274 [0,0,0,0,0,0|4,0,0]=4 116 B6R0.2 N=C(N)OC(=[NH2+])N MCULE-7233867485 [0,0,0,0,0,0|4,0,0]=4 117 B6R0.2 N=C([NH3+])CC(=O)N MCULE-7769639649 [0,0,0,0,0,0|2,0,0]=2 118 B6R0.2 NC(=CN(=O)=O)N MCULE-9629386307 [0,0,0,0,0,0|2,0,2]=4 119 B6R0.2 NC(=O)CC(=O)N MCULE-7675159766 [0,0,0,0,0,0|1,0,0]=1 120 B6R0.2 NC(=O)CC(=O)O MCULE-1168254626 [0,0,0,0,0,0|0,0,0]=0 121 B6R0.2 NC(=O)CC(=S)N MCULE-9383188328 [0,0,0,0,0,0|1,1,0]=2 122 B6R0.2 NC(=O)CN(=O)=O MCULE-2051107739 [0,0,0,0,0,0|1,0,1]=2 123 B6R0.2 NC(=O)CN(=O)=O MCULE-6284821429 [0,0,0,0,0,0|1,0,1]=2 124 B6R0.2 NC(=O)NC(=O)N MCULE-4571627886 [0,0,0,0,0,0|2,0,0]=2 125 B6R0.2 NC(=S)CC(=S)N MCULE-2555051271 [0,0,0,0,0,0|1,2,0]=3 126 B6R0.2 NC(=S)NC(=S)N MCULE-5725707827 [0,0,0,0,0,0|2,2,0]=4 127 B6R0.2 NC(F)CC(=O)O MCULE-1563194776 [0,0,0,0,0,0|1,0,1]=2 128 B6R0.2 NC(F)CC(=O)O MCULE-1655564430 [0,0,0,0,0,0|1,0,1]=2 129 B6R0.2 O=C(Cl)CC(=O)Cl MCULE-8779098368 [0,0,0,0,0,0|2,0,0]=2 130 B6R0.2 O=C(O)C=C(Br)Br MCULE-4379078717 [0,0,0,0,0,0|2,0,1]=3 131 B6R0.2 O=C(O)C=C(Cl)Cl MCULE-5096440659 [0,0,0,0,0,0|2,0,1]=3 132 B6R0.2 O=C(O)CB(O)O MCULE-6408403753 [0,0,0,0,0,0|2,0,1]=3 133 B6R0.2 O=C(O)CC(=O)O MCULE-5893043131 [0,0,0,0,0,0|1,0,0]=1 134 B6R0.2 O=C(O)CC(F)F MCULE-9388620099 [0,0,0,0,0,0|2,0,1]=3 135 B6R0.2 O=C(O)CN(=O)=O MCULE-4962751453 [0,0,0,0,0,0|2,0,0]=2 136 B6R0.2 O=C([O-])CC(=O)[O-] MCULE-2327820884 [0,0,0,0,0,0|1,0,1]=2 137 B6R0.2 O=C([O-])CC(=O)[O-] MCULE-6849635529 [0,0,0,0,0,0|1,0,1]=2 138 B6R0.2 O=C([O-])CN(=O)=O MCULE-4674762686 [0,0,0,0,0,0|2,0,1]=3 139 B6R0.2 [NH2+]=C(N)NC(=S)N MCULE-8048711850 [0,0,0,0,0,0|3,1,0]=4 140 B6R0.2 [NH3+]C(=S)NC(=N)N MCULE-7154221603 [0,0,0,0,0,0|3,1,0]=4 141 B5R0.1 C#CCC(=O)O MCULE-4680699666 [1,0,0,0,0,0|1,0,1]=3 142 B5R0.1 C(C)(N)CCO MCULE-5545469271 [1,0,0,0,0,0|1,0,2]=4 143 B5R0.1 C/C=C/C(=O)C MCULE-2109656516 [1,0,0,0,0,0|2,0,1]=4 144 B5R0.1 C/C=C/C(=O)Cl MCULE-8378824386 [1,0,0,0,0,0|2,0,1]=4 145 B5R0.1 C/C=C/C(=O)N MCULE-2532228624 [1,0,0,0,0,0|1,0,1]=3 146 B5R0.1 C/C=C/C(=O)O MCULE-6937494852 [1,0,0,0,0,0|1,0,1]=3 147 B5R0.1 C=C(Br)CCO MCULE-3743908958 [1,0,0,0,0,0|2,0,1]=4 148 B5R0.1 C=C(C)CCN MCULE-4037025602 [1,0,0,0,0,0|2,0,1]=4 149 B5R0.1 C=C(C)CCN MCULE-5001503744 [1,0,0,0,0,0|2,0,1]=4 150 B5R0.1 C=C(C)CCO MCULE-2689800711 [1,0,0,0,0,0|2,0,1]=4 151 B5R0.1 C=C(C)CNN MCULE-1117931770 [1,0,0,0,0,0|3,0,0]=4 152 B5R0.1 C=C(C)CON MCULE-2773974323 [1,0,0,0,0,0|3,0,0]=4 153 B5R0.1 C=C(C)CON MCULE-5978680243 [1,0,0,0,0,0|3,0,0]=4 154 B5R0.1 C=CCB(O)O MCULE-2306600658 [1,0,0,0,0,0|2,0,1]=4 155 B5R0.1 C=CCC(=C)C MCULE-6294070836 [1,0,0,0,0,0|3,0,0]=4 156 B5R0.1 C=CCC(=N)N MCULE-6305125234 [1,0,0,0,0,0|2,0,0]=3 157 B5R0.1 C=CCC(=O)Cl MCULE-6033189203 [1,0,0,0,0,0|2,0,0]=3 158 B5R0.1 C=CCC(=O)N MCULE-1205335257 [1,0,0,0,0,0|1,0,0]=2 159 B5R0.1 C=CCC(=O)O MCULE-6288979337 [1,0,0,0,0,0|1,0,0]=2 160 B5R0.1 C=CCC(C)N MCULE-5354228552 [1,0,0,0,0,0|2,0,1]=4 161 B5R0.1 C=CCC(C)N MCULE-9454660067 [1,0,0,0,0,0|2,0,1]=4 162 B5R0.1 C=CCC(C)O MCULE-7724200334 [1,0,0,0,0,0|2,0,1]=4 163 B5R0.1 C=CCC(C)O MCULE-9910771503 [1,0,0,0,0,0|2,0,1]=4 164 B5R0.1 C=CC[C@@H](C)O MCULE-1663575568 [1,0,0,0,0,0|2,0,1]=4 165 B5R0.1 C=CC[C@@H](C)O MCULE-3971480179 [1,0,0,0,0,0|2,0,1]=4 166 B5R0.1 C=CC[C@H](C)N MCULE-2398654329 [1,0,0,0,0,0|2,0,1]=4 167 B5R0.1 C=CC[C@H](C)N MCULE-5817451810 [1,0,0,0,0,0|2,0,1]=4 168 B5R0.1 C=CC[C@H](C)O MCULE-5783959808 [1,0,0,0,0,0|2,0,1]=4 169 B5R0.1 C=CC[C@H](C)O MCULE-6146696600 [1,0,0,0,0,0|2,0,1]=4 170 B5R0.1 C=CNC(=O)C MCULE-1260296806 [1,0,0,0,0,0|3,0,0]=4 171 B5R0.1 C=CNC(=O)N MCULE-4235216182 [1,0,0,0,0,0|2,0,0]=3 172 B5R0.1 C=COC(=O)C MCULE-7626795765 [1,0,0,0,0,0|3,0,0]=4 173 B5R0.1 C=COC(=O)Cl MCULE-9915729615 [1,0,0,0,0,0|3,0,0]=4 174 B5R0.1 C=C[CH+]C(=O)[O-] MCULE-7935071431 [1,0,0,0,0,0|1,0,2]=4 175 B5R0.1 C=NCC(=O)N MCULE-7609497329 [1,0,0,0,0,0|2,0,0]=3 176 B5R0.1 C=NCC(=S)N MCULE-6261527142 [1,0,0,0,0,0|2,1,0]=4 177 B5R0.1 CC#CC(=O)O MCULE-9994142213 [1,0,0,0,0,0|1,0,2]=4 178 B5R0.1 CC(=CC=O)C MCULE-7002222435 [1,0,0,0,0,0|2,0,1]=4 179 B5R0.1 CC(=CC=O)Cl MCULE-2279693190 [1,0,0,0,0,0|2,0,1]=4 180 B5R0.1 CC(=CC=O)N MCULE-2659507627 [1,0,0,0,0,0|1,0,1]=3 181 B5R0.1 CC(=O)/C=N/O MCULE-5424156575 [1,0,0,0,0,0|2,0,1]=4 182 B5R0.1 CC(=O)/C=N\O MCULE-9083768531 [1,0,0,0,0,0|2,0,1]=4 183 B5R0.1 CC(=O)C=C=O MCULE-4335598177 [1,0,0,0,0,0|1,0,2]=4 184 B5R0.1 CC(=O)C=NO MCULE-5513006918 [1,0,0,0,0,0|2,0,1]=4 185 B5R0.1 CC(=O)CC#N MCULE-7203242552 [1,0,0,0,0,0|1,0,2]=4 186 B5R0.1 CC(=O)CCBr MCULE-2615300206 [1,0,0,0,0,0|2,0,1]=4 187 B5R0.1 CC(=O)CCCl MCULE-8019748964 [1,0,0,0,0,0|2,0,1]=4 188 B5R0.1 CC(=O)CCN MCULE-7550348751 [1,0,0,0,0,0|1,0,1]=3 189 B5R0.1 CC(=O)CCN MCULE-9519063810 [1,0,0,0,0,0|1,0,1]=3 190 B5R0.1 CC(=O)CCO MCULE-6328537335 [1,0,0,0,0,0|1,0,1]=3 191 B5R0.1 CC(=O)N=S=O MCULE-1420371815 [1,0,0,0,0,0|3,0,0]=4 192 B5R0.1 CC(=O)NCO MCULE-4563335540 [1,0,0,0,0,0|2,0,1]=4 193 B5R0.1 CC(C)CC=O MCULE-2939497534 [1,0,0,0,0,0|2,0,1]=4 194 B5R0.1 CC(N)CCO MCULE-1771399942 [1,0,0,0,0,0|1,0,2]=4 195 B5R0.1 CC(N)CCO MCULE-7239872808 [1,0,0,0,0,0|1,0,2]=4 196 B5R0.1 CC(O)CCN MCULE-6836791276 [1,0,0,0,0,0|1,0,2]=4 197 B5R0.1 CC(O)CCN MCULE-7186260925 [1,0,0,0,0,0|1,0,2]=4 198 B5R0.1 CC(O)CNN MCULE-4956670781 [1,0,0,0,0,0|2,0,1]=4 199 B5R0.1 CC(O)CNN MCULE-7917439573 [1,0,0,0,0,0|2,0,1]=4 200 B5R0.1 CC(O)CON MCULE-1051091134 [1,0,0,0,0,0|2,0,1]=4 201 B5R0.1 CC(O)CON MCULE-6722092589 [1,0,0,0,0,0|2,0,1]=4 202 B5R0.1 CC=CC(=O)C MCULE-4826977340 [1,0,0,0,0,0|2,0,1]=4 203 B5R0.1 CC=CC(=O)Cl MCULE-2747622237 [1,0,0,0,0,0|2,0,1]=4 204 B5R0.1 CC=CC(=O)N MCULE-9693879476 [1,0,0,0,0,0|1,0,1]=3 205 B5R0.1 CC=CC(=O)O MCULE-7970410217 [1,0,0,0,0,0|1,0,1]=3 206 B5R0.1 CCCC(=N)N MCULE-5974105638 [1,0,0,0,0,0|2,0,1]=4 207 B5R0.1 CCCC(=N)N MCULE-9230704591 [1,0,0,0,0,0|2,0,1]=4 208 B5R0.1 CCCC(=O)C MCULE-7174095676 [1,0,0,0,0,0|2,0,1]=4 209 B5R0.1 CCCC(=O)Cl MCULE-3288175193 [1,0,0,0,0,0|2,0,1]=4 210 B5R0.1 CCCC(=O)N MCULE-2712067671 [1,0,0,0,0,0|1,0,1]=3 211 B5R0.1 CCCC(=O)O MCULE-4116382006 [1,0,0,0,0,0|1,0,1]=3 212 B5R0.1 CCCC(=O)[O-] MCULE-8706538802 [1,0,0,0,0,0|1,0,2]=4 213 B5R0.1 CCCC(=O)[O-] MCULE-9764702574 [1,0,0,0,0,0|1,0,2]=4 214 B5R0.1 CCCC(=S)N MCULE-3529335988 [1,0,0,0,0,0|1,1,1]=4 215 B5R0.1 CCCC(=S)O MCULE-3382199964 [1,0,0,0,0,0|1,1,1]=4 216 B5R0.1 CCNC(=O)N MCULE-1913599861 [1,0,0,0,0,0|2,0,1]=4 217 B5R0.1 CCOC(=O)N MCULE-1776877276 [1,0,0,0,0,0|2,0,1]=4 218 B5R0.1 CN(C)CC=O MCULE-1229218563 [1,0,0,0,0,0|3,0,0]=4 219 B5R0.1 CN(C)CC=O MCULE-3577561950 [1,0,0,0,0,0|3,0,0]=4 220 B5R0.1 CN(C)CC=O MCULE-4493766862 [1,0,0,0,0,0|3,0,0]=4 221 B5R0.1 CN(C)CC=O MCULE-8123455398 [1,0,0,0,0,0|3,0,0]=4 222 B5R0.1 CNCC(=O)C MCULE-3695443024 [1,0,0,0,0,0|3,0,0]=4 223 B5R0.1 CNCC(=O)C MCULE-7402723072 [1,0,0,0,0,0|3,0,0]=4 224 B5R0.1 CNCC(=O)N MCULE-2328887394 [1,0,0,0,0,0|2,0,0]=3 225 B5R0.1 CNCC(=O)N MCULE-3031605853 [1,0,0,0,0,0|2,0,0]=3 226 B5R0.1 CNCC(=O)N MCULE-7300977677 [1,0,0,0,0,0|2,0,0]=3 227 B5R0.1 CNCC(=O)O MCULE-3448356048 [1,0,0,0,0,0|2,0,0]=3 228 B5R0.1 CNCC(=O)O MCULE-4484444573 [1,0,0,0,0,0|2,0,0]=3 229 B5R0.1 CNCC(=O)[O-] MCULE-7993701866 [1,0,0,0,0,0|2,0,1]=4 230 B5R0.1 COCC(=N)N MCULE-4711728356 [1,0,0,0,0,0|3,0,0]=4 231 B5R0.1 COCC(=N)N MCULE-7163250467 [1,0,0,0,0,0|3,0,0]=4 232 B5R0.1 COCC(=O)C MCULE-7262197587 [1,0,0,0,0,0|3,0,0]=4 233 B5R0.1 COCC(=O)Cl MCULE-5449267495 [1,0,0,0,0,0|3,0,0]=4 234 B5R0.1 COCC(=O)N MCULE-6674958132 [1,0,0,0,0,0|2,0,0]=3 235 B5R0.1 COCC(=O)O MCULE-3945589151 [1,0,0,0,0,0|2,0,0]=3 236 B5R0.1 COCC(=S)N MCULE-2046809269 [1,0,0,0,0,0|2,1,0]=4 237 B5R0.1 CONC(=O)N MCULE-3063713861 [1,0,0,0,0,0|3,0,0]=4 238 B5R0.1 CS(=O)CCN MCULE-6497874560 [1,0,0,0,0,0|2,0,1]=4 239 B5R0.1 CS(=O)CCN MCULE-8275663766 [1,0,0,0,0,0|2,0,1]=4 240 B5R0.1 CS(=O)CCN MCULE-8330490290 [1,0,0,0,0,0|2,0,1]=4 241 B5R0.1 CS(=O)CCO MCULE-8331553582 [1,0,0,0,0,0|2,0,1]=4 242 B5R0.1 CSCC(=N)N MCULE-7800929509 [1,0,0,0,0,0|3,0,0]=4 243 B5R0.1 CSCC(=N)N MCULE-8499985777 [1,0,0,0,0,0|3,0,0]=4 244 B5R0.1 CSCC(=O)C MCULE-4131794172 [1,0,0,0,0,0|3,0,0]=4 245 B5R0.1 CSCC(=O)Cl MCULE-9750052685 [1,0,0,0,0,0|3,0,0]=4 246 B5R0.1 CSCC(=O)N MCULE-4865579476 [1,0,0,0,0,0|2,0,0]=3 247 B5R0.1 CSCC(=O)O MCULE-7003418159 [1,0,0,0,0,0|2,0,0]=3 248 B5R0.1 CSCC(=S)N MCULE-5029100305 [1,0,0,0,0,0|2,1,0]=4 249 B5R0.1 C[C@@H](N)CCO MCULE-4224878672 [1,0,0,0,0,0|1,0,2]=4 250 B5R0.1 C[C@@H](N)CCO MCULE-5727539473 [1,0,0,0,0,0|1,0,2]=4 251 B5R0.1 C[C@@H](O)CCN MCULE-7588849994 [1,0,0,0,0,0|1,0,2]=4 252 B5R0.1 C[C@@H](O)CCN MCULE-7895006310 [1,0,0,0,0,0|1,0,2]=4 253 B5R0.1 C[C@@H](O)CCN MCULE-9071323255 [1,0,0,0,0,0|1,0,2]=4 254 B5R0.1 C[C@@H](O)CCN MCULE-9627550610 [1,0,0,0,0,0|1,0,2]=4 255 B5R0.1 C[C@@H](O)CON MCULE-3740397343 [1,0,0,0,0,0|2,0,1]=4 256 B5R0.1 C[C@@H](O)CON MCULE-8274376872 [1,0,0,0,0,0|2,0,1]=4 257 B5R0.1 C[C@H](N)CCO MCULE-1496375567 [1,0,0,0,0,0|1,0,2]=4 258 B5R0.1 C[C@H](N)CCO MCULE-4744824708 [1,0,0,0,0,0|1,0,2]=4 259 B5R0.1 C[C@H](N)CCO MCULE-7219173683 [1,0,0,0,0,0|1,0,2]=4 260 B5R0.1 C[C@H](N)CCO MCULE-9164942837 [1,0,0,0,0,0|1,0,2]=4 261 B5R0.1 C[C@H](O)CCN MCULE-7570743309 [1,0,0,0,0,0|1,0,2]=4 262 B5R0.1 C[C@H](O)CCN MCULE-9428853702 [1,0,0,0,0,0|1,0,2]=4 263 B5R0.1 C[C@H](O)CON MCULE-4216605221 [1,0,0,0,0,0|2,0,1]=4 264 B5R0.1 C[C@H](O)CON MCULE-9863094719 [1,0,0,0,0,0|2,0,1]=4 265 B5R0.1 C[S@@](=O)CCO MCULE-4485824334 [1,0,0,0,0,0|2,0,1]=4 266 B5R0.1 N#CCC(=O)Cl MCULE-7971055738 [1,0,0,0,0,0|1,0,2]=4 267 B5R0.1 N#CCC(=O)N MCULE-8538286230 [1,0,0,0,0,0|1,0,1]=3 268 B5R0.1 N#CCC(=O)O MCULE-3440765061 [1,0,0,0,0,0|0,0,2]=3 269 B5R0.1 N#CCC(=O)[O-] MCULE-2598625909 [1,0,0,0,0,0|0,0,3]=4 270 B5R0.1 N#CCC(=O)[O-] MCULE-3532110520 [1,0,0,0,0,0|0,0,3]=4 271 B5R0.1 N#CCC(=S)N MCULE-6348216099 [1,0,0,0,0,0|1,1,1]=4 272 B5R0.1 N#CCC(=[Se])N MCULE-7730610345 [1,0,0,0,0,0|1,1,1]=4 273 B5R0.1 N=C(N)CCCl MCULE-2314996365 [1,0,0,0,0,0|2,0,1]=4 274 B5R0.1 N=C(N)CCCl MCULE-3129838313 [1,0,0,0,0,0|2,0,1]=4 275 B5R0.1 N=C(N)CCO MCULE-4567824707 [1,0,0,0,0,0|1,0,1]=3 276 B5R0.1 N=C(N)CCO MCULE-7139693715 [1,0,0,0,0,0|1,0,1]=3 277 B5R0.1 N=C(N)NC=O MCULE-2702198735 [1,0,0,0,0,0|2,0,0]=3 278 B5R0.1 NC(=O)C=CCl MCULE-3595468874 [1,0,0,0,0,0|1,0,1]=3 279 B5R0.1 NC(=O)C=NO MCULE-6447662753 [1,0,0,0,0,0|1,0,1]=3 280 B5R0.1 NC(=O)CCBr MCULE-3930714776 [1,0,0,0,0,0|1,0,1]=3 281 B5R0.1 NC(=O)CCCl MCULE-8300320959 [1,0,0,0,0,0|1,0,1]=3 282 B5R0.1 NC(=O)CCO MCULE-4026170350 [1,0,0,0,0,0|0,0,1]=2 283 B5R0.1 NC(=O)CCS MCULE-7451827717 [1,0,0,0,0,0|0,1,1]=3 284 B5R0.1 NC(=O)NCO MCULE-7403641101 [1,0,0,0,0,0|1,0,1]=3 285 B5R0.1 NC(=O)NN=O MCULE-2820469915 [1,0,0,0,0,0|2,0,0]=3 286 B5R0.1 NCCC(=O)Cl MCULE-1298355499 [1,0,0,0,0,0|1,0,1]=3 287 B5R0.1 NCCC(=O)N MCULE-2899414135 [1,0,0,0,0,0|1,0,1]=3 288 B5R0.1 NCCC(=O)N MCULE-6993286668 [1,0,0,0,0,0|1,0,1]=3 289 B5R0.1 NCCC(=O)O MCULE-1344289084 [1,0,0,0,0,0|0,0,1]=2 290 B5R0.1 NCCC(=O)O MCULE-2298605337 [1,0,0,0,0,0|0,0,1]=2 291 B5R0.1 NCCC(=O)O MCULE-9375577631 [1,0,0,0,0,0|0,0,1]=2 292 B5R0.1 NCCC(=O)[O-] MCULE-2492250086 [1,0,0,0,0,0|0,0,2]=3 293 B5R0.1 NCCN(=O)=O MCULE-8137427440 [1,0,0,0,0,0|1,0,2]=4 294 B5R0.1 NCCP(=O)O MCULE-7093964616 [1,0,0,0,0,0|1,0,1]=3 295 B5R0.1 NCCS(=O)O MCULE-4372248641 [1,0,0,0,0,0|1,0,1]=3 296 B5R0.1 NNCC(=O)N MCULE-2794619708 [1,0,0,0,0,0|2,0,0]=3 297 B5R0.1 NNCC(=O)N MCULE-6773156087 [1,0,0,0,0,0|2,0,0]=3 298 B5R0.1 NNCC(=O)O MCULE-4908184724 [1,0,0,0,0,0|1,0,0]=2 299 B5R0.1 NNCC(=O)O MCULE-6315598774 [1,0,0,0,0,0|1,0,0]=2 300 B5R0.1 NOCC(=O)O MCULE-4566186819 [1,0,0,0,0,0|1,0,0]=2 301 B5R0.1 NOCC(=O)O MCULE-4824237418 [1,0,0,0,0,0|1,0,0]=2 302 B5R0.1 NOCC(=O)O MCULE-8132180423 [1,0,0,0,0,0|1,0,0]=2 303 B5R0.1 O=C(Cl)C=CCl MCULE-7984379237 [1,0,0,0,0,0|2,0,1]=4 304 B5R0.1 O=C(Cl)CCBr MCULE-4659506608 [1,0,0,0,0,0|2,0,1]=4 305 B5R0.1 O=C(Cl)CCCl MCULE-3313924878 [1,0,0,0,0,0|2,0,1]=4 306 B5R0.1 O=C(Cl)CCF MCULE-3316397790 [1,0,0,0,0,0|2,0,1]=4 307 B5R0.1 O=C(O)/C=C/Br MCULE-7284519266 [1,0,0,0,0,0|1,0,1]=3 308 B5R0.1 O=C(O)/C=C/Cl MCULE-1625781671 [1,0,0,0,0,0|1,0,1]=3 309 B5R0.1 O=C(O)/C=C/I MCULE-3339607379 [1,0,0,0,0,0|1,0,1]=3 310 B5R0.1 O=C(O)/C=C\Br MCULE-6149049313 [1,0,0,0,0,0|1,0,1]=3 311 B5R0.1 O=C(O)/C=C\Cl MCULE-1221996674 [1,0,0,0,0,0|1,0,1]=3 312 B5R0.1 O=C(O)/C=C\I MCULE-3065405012 [1,0,0,0,0,0|1,0,1]=3 313 B5R0.1 O=C(O)/C=N/O MCULE-2471349844 [1,0,0,0,0,0|1,0,2]=4 314 B5R0.1 O=C(O)C#CBr MCULE-1997285471 [1,0,0,0,0,0|1,0,2]=4 315 B5R0.1 O=C(O)C=CBr MCULE-2956464856 [1,0,0,0,0,0|1,0,1]=3 316 B5R0.1 O=C(O)C=CCl MCULE-6369812151 [1,0,0,0,0,0|1,0,1]=3 317 B5R0.1 O=C(O)C=CI MCULE-7162332129 [1,0,0,0,0,0|1,0,1]=3 318 B5R0.1 O=C(O)C=NO MCULE-2039309679 [1,0,0,0,0,0|1,0,2]=4 319 B5R0.1 O=C(O)CCBr MCULE-2816055853 [1,0,0,0,0,0|1,0,1]=3 320 B5R0.1 O=C(O)CCCl MCULE-8511144183 [1,0,0,0,0,0|1,0,1]=3 321 B5R0.1 O=C(O)CCF MCULE-4382025684 [1,0,0,0,0,0|1,0,1]=3 322 B5R0.1 O=C(O)CCI MCULE-3371354708 [1,0,0,0,0,0|1,0,1]=3 323 B5R0.1 O=C(O)CCO MCULE-3428604829 [1,0,0,0,0,0|0,0,2]=3 324 B5R0.1 O=C(O)CCS MCULE-3211932163 [1,0,0,0,0,0|0,1,1]=3 325 B5R0.1 O=C(O)CNO MCULE-4437067339 [1,0,0,0,0,0|1,0,1]=3 326 B5R0.1 O=C([O-])C#CO MCULE-3725047218 [1,0,0,0,0,0|1,0,2]=4 327 B5R0.1 O=C([O-])C#CO MCULE-9125153565 [1,0,0,0,0,0|1,0,2]=4 328 B5R0.1 O=C([O-])C=CCl MCULE-4750072789 [1,0,0,0,0,0|1,0,2]=4 329 B5R0.1 O=C([O-])CCO MCULE-4429611588 [1,0,0,0,0,0|1,0,1]=3 330 B5R0.1 O=N(=O)CCO MCULE-2060841405 [1,0,0,0,0,0|2,0,1]=4 331 B7R0.2 C#CC(C)CC(=O)O MCULE-8780802803 [0,1,0,0,0,0|2,0,1]=4 332 B7R0.2 C(O)(CN)CC(=O)O MCULE-8378388788 [0,1,0,0,0,0|0,0,2]=3 333 B7R0.2 C=CC(=O)NC(=O)N MCULE-8826369233 [0,1,0,0,0,0|2,0,0]=3 334 B7R0.2 C=CC(C)CC(=O)O MCULE-4817084034 [0,1,0,0,0,0|2,0,1]=4 335 B7R0.2 C=CC(N)CC(=O)O MCULE-1733618438 [0,1,0,0,0,0|1,0,1]=3 336 B7R0.2 C=CC(N)CC(=O)O MCULE-9636299966 [0,1,0,0,0,0|1,0,1]=3 337 B7R0.2 C=CC(O)CC(=O)O MCULE-2383393271 [0,1,0,0,0,0|1,0,2]=4 338 B7R0.2 CC(=CC(=O)O)C=O MCULE-7652207149 [0,1,0,0,0,0|1,0,1]=3 339 B7R0.2 CC(=O)NC(=O)CBr MCULE-3222708274 [0,1,0,0,0,0|3,0,0]=4 340 B7R0.2 CC(C)CC(=O)CN MCULE-2435223768 [0,1,0,0,0,0|2,0,1]=4 341 B7R0.2 CC(C)CC(=O)CN MCULE-7131454463 [0,1,0,0,0,0|2,0,1]=4 342 B7R0.2 CC(C)CC(=O)NN MCULE-7719387931 [0,1,0,0,0,0|2,0,1]=4 343 B7R0.2 CC(CC(=O)O)NN MCULE-2614719429 [0,1,0,0,0,0|1,0,1]=3 344 B7R0.2 CC(CC(=O)O)NN MCULE-2739806820 [0,1,0,0,0,0|1,0,1]=3 345 B7R0.2 CC(CN)CC(=O)O MCULE-1594242184 [0,1,0,0,0,0|1,0,1]=3 346 B7R0.2 CC(CN)CC(=O)O MCULE-8074816359 [0,1,0,0,0,0|1,0,1]=3 347 B7R0.2 CC(O)CC(=O)NN MCULE-2521784411 [0,1,0,0,0,0|1,0,1]=3 348 B7R0.2 CCC(=CC(=O)O)C MCULE-3864767099 [0,1,0,0,0,0|2,0,1]=4 349 B7R0.2 CCC(=O)CC(=O)C MCULE-1892470405 [0,1,0,0,0,0|2,0,0]=3 350 B7R0.2 CCC(=O)CC(=O)O MCULE-1083768149 [0,1,0,0,0,0|1,0,0]=2 351 B7R0.2 CCC(=O)NC(=S)N MCULE-7487842736 [0,1,0,0,0,0|2,1,0]=4 352 B7R0.2 CCC(=O)OC(=O)C MCULE-8264492254 [0,1,0,0,0,0|3,0,0]=4 353 B7R0.2 CCC(C)CC(=O)O MCULE-3409782202 [0,1,0,0,0,0|2,0,1]=4 354 B7R0.2 CCC(C)CC(=O)O MCULE-6537278030 [0,1,0,0,0,0|2,0,1]=4 355 B7R0.2 CCC(N)CC(=O)O MCULE-1744910444 [0,1,0,0,0,0|1,0,1]=3 356 B7R0.2 CCC(N)CC(=O)O MCULE-5610499925 [0,1,0,0,0,0|1,0,1]=3 357 B7R0.2 CCC(O)CC(=O)C MCULE-1222748729 [0,1,0,0,0,0|2,0,1]=4 358 B7R0.2 CCC(O)CC(=O)O MCULE-4663578527 [0,1,0,0,0,0|1,0,2]=4 359 B7R0.2 CCN(C)CC(=O)O MCULE-3102395413 [0,1,0,0,0,0|3,0,0]=4 360 B7R0.2 CCS(=O)CC(=O)O MCULE-5648298475 [0,1,0,0,0,0|2,0,0]=3 361 B7R0.2 CC[C@@H](C)CC(=O)O MCULE-5550070887 [0,1,0,0,0,0|2,0,1]=4 362 B7R0.2 CC[C@@H](C)CC(=O)O MCULE-9572363620 [0,1,0,0,0,0|2,0,1]=4 363 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-1158271004 [0,1,0,0,0,0|1,0,1]=3 364 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-2354820947 [0,1,0,0,0,0|1,0,1]=3 365 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-4284161835 [0,1,0,0,0,0|1,0,1]=3 366 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-9523089766 [0,1,0,0,0,0|1,0,1]=3 367 B7R0.2 CC[C@H](C)CC(=O)O MCULE-4177365854 [0,1,0,0,0,0|2,0,1]=4 368 B7R0.2 CC[C@H](C)CC(=O)O MCULE-5173108207 [0,1,0,0,0,0|2,0,1]=4 369 B7R0.2 CC[C@H](N)CC(=O)O MCULE-1463536674 [0,1,0,0,0,0|1,0,1]=3 370 B7R0.2 CC[C@H](N)CC(=O)O MCULE-2865599647 [0,1,0,0,0,0|1,0,1]=3 371 B7R0.2 CC[C@H](N)CC(=O)O MCULE-4506847599 [0,1,0,0,0,0|1,0,1]=3 372 B7R0.2 CC[C@H](N)CC(=O)O MCULE-4819674539 [0,1,0,0,0,0|1,0,1]=3 373 B7R0.2 CN(C)CC(=O)NN MCULE-4271340398 [0,1,0,0,0,0|3,0,0]=4 374 B7R0.2 CN(C)CC(=O)NN MCULE-8010840162 [0,1,0,0,0,0|3,0,0]=4 375 B7R0.2 CN(C)CC(=O)NN MCULE-9920503081 [0,1,0,0,0,0|3,0,0]=4 376 B7R0.2 CN(C=O)CC(=O)O MCULE-2679649056 [0,1,0,0,0,0|2,0,0]=3 377 B7R0.2 CN(CC(=O)O)N=O MCULE-5473244336 [0,1,0,0,0,0|2,0,0]=3 378 B7R0.2 CNC(=CC(=O)C)C MCULE-1943688292 [0,1,0,0,0,0|2,0,1]=4 379 B7R0.2 CNC(=O)CC(=N)N MCULE-4798896062 [0,1,0,0,0,0|2,0,0]=3 380 B7R0.2 CNC(=O)CC(=N)N MCULE-6994336455 [0,1,0,0,0,0|2,0,0]=3 381 B7R0.2 CNC(=O)CC(=O)C MCULE-4316009681 [0,1,0,0,0,0|1,0,0]=2 382 B7R0.2 CNC(=O)CC(=O)O MCULE-3506871336 [0,1,0,0,0,0|0,0,0]=1 383 B7R0.2 CNC(=O)CC(=S)N MCULE-1637389152 [0,1,0,0,0,0|1,1,0]=3 384 B7R0.2 CNC(=O)CC(C)C MCULE-2303112628 [0,1,0,0,0,0|2,0,1]=4 385 B7R0.2 CNC(=O)CC(C)N MCULE-7773306348 [0,1,0,0,0,0|2,0,1]=4 386 B7R0.2 CNC(=O)CC(C)N MCULE-8658175271 [0,1,0,0,0,0|2,0,1]=4 387 B7R0.2 CNC(=O)CN(=O)=O MCULE-2253664059 [0,1,0,0,0,0|1,0,1]=3 388 B7R0.2 CNC(=O)NC(=O)C MCULE-9100713966 [0,1,0,0,0,0|2,0,0]=3 389 B7R0.2 CNC(=O)NC(=O)N MCULE-8107942434 [0,1,0,0,0,0|2,0,0]=3 390 B7R0.2 CNC(C)CC(=O)N MCULE-1474658720 [0,1,0,0,0,0|2,0,1]=4 391 B7R0.2 CNC(C)CC(=O)N MCULE-4481385519 [0,1,0,0,0,0|2,0,1]=4 392 B7R0.2 CNC(C)CC(=O)O MCULE-6592893730 [0,1,0,0,0,0|1,0,1]=3 393 B7R0.2 CNC(C)CC(=O)O MCULE-7655437452 [0,1,0,0,0,0|1,0,1]=3 394 B7R0.2 CO/C(=C/C(=O)O)/C MCULE-5031076713 [0,1,0,0,0,0|1,0,2]=4 395 B7R0.2 COC(=CC(=O)C)C MCULE-1939113485 [0,1,0,0,0,0|2,0,1]=4 396 B7R0.2 COC(=CC(=O)O)C MCULE-2215306459 [0,1,0,0,0,0|1,0,2]=4 397 B7R0.2 COC(=O)/C=C(/C)\N MCULE-2378404457 [0,1,0,0,0,0|1,0,1]=3 398 B7R0.2 COC(=O)/C=C(\C)/N MCULE-7223502425 [0,1,0,0,0,0|1,0,1]=3 399 B7R0.2 COC(=O)C=C(C)C MCULE-9357284649 [0,1,0,0,0,0|2,0,1]=4 400 B7R0.2 COC(=O)C=C(C)N MCULE-8452012306 [0,1,0,0,0,0|1,0,1]=3 401 B7R0.2 COC(=O)C=C(C)[O-] MCULE-2706789496 [0,1,0,0,0,0|1,0,2]=4 402 B7R0.2 COC(=O)C=C(C)[O-] MCULE-4482386969 [0,1,0,0,0,0|1,0,2]=4 403 B7R0.2 COC(=O)CC(=N)N MCULE-3622266378 [0,1,0,0,0,0|1,0,0]=2 404 B7R0.2 COC(=O)CC(=N)N MCULE-8717458518 [0,1,0,0,0,0|1,0,0]=2 405 B7R0.2 COC(=O)CC(=O)C MCULE-1265364784 [0,1,0,0,0,0|1,0,0]=2 406 B7R0.2 COC(=O)CC(=O)Cl MCULE-5016603273 [0,1,0,0,0,0|1,0,0]=2 407 B7R0.2 COC(=O)CC(=O)N MCULE-7129379910 [0,1,0,0,0,0|0,0,0]=1 408 B7R0.2 COC(=O)CC(=O)O MCULE-7983457925 [0,1,0,0,0,0|1,0,0]=2 409 B7R0.2 COC(=O)CC(=O)[O-] MCULE-4316322156 [0,1,0,0,0,0|1,0,0]=2 410 B7R0.2 COC(=O)CC(=S)N MCULE-3325362226 [0,1,0,0,0,0|0,1,0]=2 411 B7R0.2 COC(=O)CC(C)Br MCULE-4193147778 [0,1,0,0,0,0|2,0,1]=4 412 B7R0.2 COC(=O)CC(C)C MCULE-2808202854 [0,1,0,0,0,0|2,0,1]=4 413 B7R0.2 COC(=O)CC(C)Cl MCULE-2734734940 [0,1,0,0,0,0|2,0,1]=4 414 B7R0.2 COC(=O)CC(C)N MCULE-2402304310 [0,1,0,0,0,0|1,0,1]=3 415 B7R0.2 COC(=O)CC(C)N MCULE-3520358398 [0,1,0,0,0,0|1,0,1]=3 416 B7R0.2 COC(=O)CC(C)N MCULE-4044567169 [0,1,0,0,0,0|1,0,1]=3 417 B7R0.2 COC(=O)CC(C)N MCULE-5962991844 [0,1,0,0,0,0|1,0,1]=3 418 B7R0.2 COC(=O)CC(C)O MCULE-7542131760 [0,1,0,0,0,0|1,0,2]=4 419 B7R0.2 COC(=O)CC(C)O MCULE-7559608260 [0,1,0,0,0,0|1,0,2]=4 420 B7R0.2 COC(=O)CC(C)S MCULE-8423856471 [0,1,0,0,0,0|1,1,1]=4 421 B7R0.2 COC(=O)CN(=O)=O MCULE-9778666398 [0,1,0,0,0,0|2,0,0]=3 422 B7R0.2 COC(=O)CN(C)C MCULE-2035644817 [0,1,0,0,0,0|3,0,0]=4 423 B7R0.2 COC(=O)CN(C)C MCULE-2356820620 [0,1,0,0,0,0|3,0,0]=4 424 B7R0.2 COC(=O)CS(=O)C MCULE-6286293391 [0,1,0,0,0,0|2,0,0]=3 425 B7R0.2 COC(=O)C[C@@H](C)N MCULE-1483636974 [0,1,0,0,0,0|1,0,1]=3 426 B7R0.2 COC(=O)C[C@@H](C)N MCULE-4260923997 [0,1,0,0,0,0|1,0,1]=3 427 B7R0.2 COC(=O)C[C@@H](C)N MCULE-6569883717 [0,1,0,0,0,0|1,0,1]=3 428 B7R0.2 COC(=O)C[C@@H](C)N MCULE-9853158708 [0,1,0,0,0,0|1,0,1]=3 429 B7R0.2 COC(=O)C[C@@H](C)O MCULE-1647366037 [0,1,0,0,0,0|1,0,2]=4 430 B7R0.2 COC(=O)C[C@@H](C)O MCULE-7832771936 [0,1,0,0,0,0|1,0,2]=4 431 B7R0.2 COC(=O)C[C@H](C)N MCULE-1385999778 [0,1,0,0,0,0|1,0,1]=3 432 B7R0.2 COC(=O)C[C@H](C)N MCULE-1446150641 [0,1,0,0,0,0|1,0,1]=3 433 B7R0.2 COC(=O)C[C@H](C)N MCULE-2979603570 [0,1,0,0,0,0|1,0,1]=3 434 B7R0.2 COC(=O)C[C@H](C)N MCULE-7679126750 [0,1,0,0,0,0|1,0,1]=3 435 B7R0.2 COC(=O)C[C@H](C)O MCULE-5154734951 [0,1,0,0,0,0|1,0,2]=4 436 B7R0.2 COC(=O)C[C@H](C)O MCULE-7031738180 [0,1,0,0,0,0|1,0,2]=4 437 B7R0.2 COC(C)CC(=O)O MCULE-7063015720 [0,1,0,0,0,0|1,0,2]=4 438 B7R0.2 CSC(C)CC(=O)O MCULE-7827833531 [0,1,0,0,0,0|1,1,1]=4 439 B7R0.2 C[C@H](CN)CC(=O)O MCULE-4808630217 [0,1,0,0,0,0|1,0,1]=3 440 B7R0.2 C[C@H](CN)CC(=O)O MCULE-5474405940 [0,1,0,0,0,0|1,0,1]=3 441 B7R0.2 N#CC(N)CC(=O)N MCULE-6918234601 [0,1,0,0,0,0|2,0,1]=4 442 B7R0.2 N/C(=N/O)/CC(=O)O MCULE-5236282846 [0,1,0,0,0,0|0,0,1]=2 443 B7R0.2 N=C(N)NC(=O)CO MCULE-1435627041 [0,1,0,0,0,0|2,0,0]=3 444 B7R0.2 NC(=O)C/C(=N\O)/N MCULE-7090967368 [0,1,0,0,0,0|1,0,0]=2 445 B7R0.2 NC(=O)NC(=O)CBr MCULE-4561848957 [0,1,0,0,0,0|2,0,0]=3 446 B7R0.2 NC(=O)NC(=O)CCl MCULE-6047100495 [0,1,0,0,0,0|2,0,0]=3 447 B7R0.2 NC(CO)CC(=O)O MCULE-4749383822 [0,1,0,0,0,0|0,0,2]=3 448 B7R0.2 NC(CO)CC(=O)O MCULE-7973334774 [0,1,0,0,0,0|0,0,2]=3 449 B7R0.2 NC(CO)CC(=O)O MCULE-8406665261 [0,1,0,0,0,0|0,0,2]=3 450 B7R0.2 NCC(N)CC(=O)O MCULE-5523883615 [0,1,0,0,0,0|1,0,1]=3 451 B7R0.2 NCC(N)CC(=O)O MCULE-7594259237 [0,1,0,0,0,0|1,0,1]=3 452 B7R0.2 NCC(O)CC(=O)O MCULE-9221352157 [0,1,0,0,0,0|0,0,2]=3 453 B7R0.2 NC[C@@H](F)CP(=O)O MCULE-6916648546 [0,1,0,0,0,0|2,0,1]=4 454 B7R0.2 NC[C@@H](F)CP(=O)O MCULE-8505911927 [0,1,0,0,0,0|2,0,1]=4 455 B7R0.2 NC[C@@H](N)CC(=O)O MCULE-6348974465 [0,1,0,0,0,0|1,0,1]=3 456 B7R0.2 NC[C@@H](N)CC(=O)O MCULE-9397628218 [0,1,0,0,0,0|1,0,1]=3 457 B7R0.2 NC[C@@H](O)CC(=O)O MCULE-2174350055 [0,1,0,0,0,0|0,0,2]=3 458 B7R0.2 NC[C@@H](O)CC(=O)O MCULE-8177708130 [0,1,0,0,0,0|0,0,2]=3 459 B7R0.2 NC[C@H](N)CC(=O)O MCULE-6133569516 [0,1,0,0,0,0|1,0,1]=3 460 B7R0.2 NC[C@H](N)CC(=O)O MCULE-7098533469 [0,1,0,0,0,0|1,0,1]=3 461 B7R0.2 NC[C@H](O)CC(=O)O MCULE-6634973995 [0,1,0,0,0,0|0,0,2]=3 462 B7R0.2 NC[C@H](O)CC(=O)O MCULE-8055679819 [0,1,0,0,0,0|0,0,2]=3 463 B7R0.2 NNC(=O)CN(=O)=O MCULE-9562845907 [0,1,0,0,0,0|1,0,1]=3 464 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-1773927420 [0,1,0,0,0,0|0,0,2]=3 465 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-2797951743 [0,1,0,0,0,0|0,0,2]=3 466 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-3839766977 [0,1,0,0,0,0|0,0,2]=3 467 B7R0.2 N[C@H](CO)CC(=O)O MCULE-4130106630 [0,1,0,0,0,0|0,0,2]=3 468 B7R0.2 O=C(Br)CC(=O)CBr MCULE-5776576043 [0,1,0,0,0,0|2,0,0]=3 469 B7R0.2 O=C(Cl)CC(=O)CCl MCULE-6416318811 [0,1,0,0,0,0|2,0,0]=3 470 B7R0.2 O=C(O)CC(=O)CCl MCULE-9671015150 [0,1,0,0,0,0|1,0,0]=2 471 B7R0.2 O=C(O)CC(=O)CO MCULE-2224143705 [0,1,0,0,0,0|1,0,0]=2 472 B7R0.2 O=C(O)CC(O)CO MCULE-2851149196 [0,1,0,0,0,0|1,0,2]=4 473 B7R0.2 O=C(O)C[C@H](O)CO MCULE-5671818548 [0,1,0,0,0,0|1,0,2]=4 474 B7R0.2 O=C([O-])CC(O)CO MCULE-5202762172 [0,1,0,0,0,0|1,0,2]=4 475 B7R0.2 O=C([O-])CC(O)CO MCULE-6219855770 [0,1,0,0,0,0|1,0,2]=4 476 B7R0.2 O=CN(O)CC(=O)O MCULE-7408790227 [0,1,0,0,0,0|2,0,0]=3 477 B7R0.2 [C@@H](F)(CN)CP(=O)O MCULE-9369150023 [0,1,0,0,0,0|2,0,1]=4 478 B7R0.2 [NH3+][C@H](CO)CC(=O)[O-] MCULE-5131942851 [0,1,0,0,0,0|2,0,1]=4 479 B7R0.9 C=C(C)CS(=O)(=O)O MCULE-9682032193 [0,1,0,0,0,0|3,0,0]=4 480 B7R0.9 CC(=O)CC(C)(C)N MCULE-1511988439 [0,1,0,0,0,0|2,0,1]=4 481 B7R0.9 CC(=O)CC(C)(C)N MCULE-7807079460 [0,1,0,0,0,0|2,0,1]=4 482 B7R0.9 CC(=O)CC(C)(C)N MCULE-8677016157 [0,1,0,0,0,0|2,0,1]=4 483 B7R0.9 CC(=O)CC(C)(C)O MCULE-2623560163 [0,1,0,0,0,0|2,0,1]=4 484 B7R0.9 CC(=O)CS(=O)(=O)C MCULE-5686426572 [0,1,0,0,0,0|2,0,1]=4 485 B7R0.9 CC(=O)CS(=O)(=O)F MCULE-1649143366 [0,1,0,0,0,0|2,0,1]=4 486 B7R0.9 CC(=O)CS(=O)(=O)N MCULE-1632563820 [0,1,0,0,0,0|2,0,0]=3 487 B7R0.9 CC(=O)OP(=O)(O)O MCULE-3093243474 [0,1,0,0,0,0|3,0,0]=4 488 B7R0.9 CC(C)(Br)CC(=O)O MCULE-2452885576 [0,1,0,0,0,0|2,0,1]=4 489 B7R0.9 CC(C)(C)CC(=O)N MCULE-5884141657 [0,1,0,0,0,0|2,0,1]=4 490 B7R0.9 CC(C)(C)CC(=O)O MCULE-8746589287 [0,1,0,0,0,0|2,0,1]=4 491 B7R0.9 CC(C)(N)CC(=O)N MCULE-8203649114 [0,1,0,0,0,0|2,0,1]=4 492 B7R0.9 CC(C)(N)CC(=O)N MCULE-9031143786 [0,1,0,0,0,0|2,0,1]=4 493 B7R0.9 CC(C)(N)CC(=O)O MCULE-1798345695 [0,1,0,0,0,0|1,0,1]=3 494 B7R0.9 CC(C)(N)CC(=O)O MCULE-4385513857 [0,1,0,0,0,0|1,0,1]=3 495 B7R0.9 CC(C)(N)CC(=O)O MCULE-7160776320 [0,1,0,0,0,0|1,0,1]=3 496 B7R0.9 CC(C)(O)CC(=O)O MCULE-3649642958 [0,1,0,0,0,0|1,0,2]=4 497 B7R0.9 CC(C)(S)CC(=O)O MCULE-6501202267 [0,1,0,0,0,0|1,1,1]=4 498 B7R0.9 CC(F)(F)CC(=O)O MCULE-2075069695 [0,1,0,0,0,0|2,0,1]=4 499 B7R0.9 CC(N)CS(=O)(=O)O MCULE-7402057915 [0,1,0,0,0,0|2,0,1]=4 500 B7R0.9 CS(=O)(=O)CC(=N)N MCULE-4168161900 [0,1,0,0,0,0|2,0,1]=4 501 B7R0.9 CS(=O)(=O)CC(=N)N MCULE-9361065749 [0,1,0,0,0,0|2,0,1]=4 502 B7R0.9 CS(=O)(=O)CC(=O)Cl MCULE-9861100117 [0,1,0,0,0,0|2,0,1]=4 503 B7R0.9 CS(=O)(=O)CC(=O)N MCULE-1619614870 [0,1,0,0,0,0|1,0,1]=3 504 B7R0.9 CS(=O)(=O)CC(=O)O MCULE-1982886035 [0,1,0,0,0,0|2,0,0]=3 505 B7R0.9 CS(=O)(=O)CC(=S)N MCULE-5575019317 [0,1,0,0,0,0|1,1,1]=4 506 B7R0.9 CS(=O)(=O)NC(=O)N MCULE-7868605068 [0,1,0,0,0,0|2,0,1]=4 507 B7R0.9 C[As+](C)(C)CC(=O)O MCULE-7167642312 [0,1,0,0,0,0|3,0,0]=4 508 B7R0.9 C[N+](C)(C)CC(=O)N MCULE-3264501433 [0,1,0,0,0,0|3,0,0]=4 509 B7R0.9 C[N+](C)(C)CC(=O)N MCULE-9355968445 [0,1,0,0,0,0|3,0,0]=4 510 B7R0.9 C[N+](C)(C)CC(=O)O MCULE-5937838609 [0,1,0,0,0,0|3,0,0]=4 511 B7R0.9 C[Si](C)(C)CC(=O)O MCULE-3888042601 [0,1,0,0,0,0|2,1,0]=4 512 B7R0.9 NC(=O)CC(F)(F)F MCULE-5914894419 [0,1,0,0,0,0|2,0,1]=4 513 B7R0.9 NC(=O)CS(=O)(=O)N MCULE-5735073011 [0,1,0,0,0,0|1,0,1]=3 514 B7R0.9 NC(=O)OP(=O)(O)O MCULE-8071699770 [0,1,0,0,0,0|2,0,0]=3 515 B7R0.9 NC(=O)OP(=O)([O-])[O-] MCULE-1371666805 [0,1,0,0,0,0|2,0,1]=4 516 B7R0.9 NC(=O)OP(=O)([O-])[O-] MCULE-5646051548 [0,1,0,0,0,0|2,0,1]=4 517 B7R0.9 NS(=O)(=O)CC(=O)O MCULE-1039009855 [0,1,0,0,0,0|1,0,0]=2 518 B7R0.9 O=C(Cl)CS(=O)(=O)Cl MCULE-2724707205 [0,1,0,0,0,0|2,0,1]=4 519 B7R0.9 O=C(O)CC(F)(F)F MCULE-5328586639 [0,1,0,0,0,0|2,0,1]=4 520 B7R0.9 O=C(O)CP(=O)(O)O MCULE-7055994360 [0,1,0,0,0,0|2,0,0]=3 521 B7R0.9 O=C(O)CS(=O)(=O)O MCULE-4846153382 [0,1,0,0,0,0|2,0,0]=3 522 B7R0.16 C=C(C(=O)O)C(=O)O MCULE-7540749901 [0,1,0,0,0,0|1,0,1]=3 523 B7R0.16 C=C(C)C(C)C(=O)C MCULE-2480790812 [0,1,0,0,0,0|3,0,0]=4 524 B7R0.16 C=C(C)C(N)C(=O)O MCULE-1815568719 [0,1,0,0,0,0|2,0,0]=3 525 B7R0.16 C=C(C)C(N)C(=O)O MCULE-2839869274 [0,1,0,0,0,0|2,0,0]=3 526 B7R0.16 C=C(C)C(N)C(=O)O MCULE-5015326828 [0,1,0,0,0,0|2,0,0]=3 527 B7R0.16 C=C(C)C(N)C(=O)O MCULE-5043630144 [0,1,0,0,0,0|2,0,0]=3 528 B7R0.16 C=C(C)[C@@H](N)C(=C)O MCULE-5278584348 [0,1,0,0,0,0|3,0,0]=4 529 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-2007035571 [0,1,0,0,0,0|2,0,0]=3 530 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-6240689602 [0,1,0,0,0,0|2,0,0]=3 531 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-8025014656 [0,1,0,0,0,0|2,0,0]=3 532 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-9704891439 [0,1,0,0,0,0|2,0,0]=3 533 B7R0.16 CC(=C(Br)C(=O)O)C MCULE-8944482091 [0,1,0,0,0,0|2,0,1]=4 534 B7R0.16 CC(=C(C)C(=O)O)Br MCULE-9431818570 [0,1,0,0,0,0|2,0,1]=4 535 B7R0.16 CC(=C(C)C(=O)O)C MCULE-1062537992 [0,1,0,0,0,0|2,0,1]=4 536 B7R0.16 CC(=C(Cl)C(=O)O)C MCULE-9408683615 [0,1,0,0,0,0|2,0,1]=4 537 B7R0.16 CC(=C(F)C(=O)O)C MCULE-9025515032 [0,1,0,0,0,0|2,0,1]=4 538 B7R0.16 CC(=O)C(Br)C(=O)C MCULE-2980550700 [0,1,0,0,0,0|2,0,0]=3 539 B7R0.16 CC(=O)C(C)C(=O)C MCULE-9607259412 [0,1,0,0,0,0|2,0,0]=3 540 B7R0.16 CC(=O)C(Cl)C(=O)C MCULE-4716617423 [0,1,0,0,0,0|2,0,0]=3 541 B7R0.16 CC(=O)C(F)C(=O)C MCULE-4665621902 [0,1,0,0,0,0|2,0,0]=3 542 B7R0.16 CC(=O)C(N)C(=O)C MCULE-6440496769 [0,1,0,0,0,0|2,0,0]=3 543 B7R0.16 CC(=O)C(N)C(=O)C MCULE-8525737264 [0,1,0,0,0,0|2,0,0]=3 544 B7R0.16 CC(=O)N(C)C(=O)C MCULE-6245493539 [0,1,0,0,0,0|3,0,0]=4 545 B7R0.16 CC(Br)C(Br)C(=O)O MCULE-8605068480 [0,1,0,0,0,0|2,0,1]=4 546 B7R0.16 CC(Br)C(O)C(=O)O MCULE-8231714451 [0,1,0,0,0,0|2,0,1]=4 547 B7R0.16 CC(C(=N)N)N(=O)=O MCULE-4411939251 [0,1,0,0,0,0|2,0,1]=4 548 B7R0.16 CC(C(=N)N)N(=O)=O MCULE-7268932809 [0,1,0,0,0,0|2,0,1]=4 549 B7R0.16 CC(C(=O)Cl)C(=O)Cl MCULE-5269923120 [0,1,0,0,0,0|2,0,0]=3 550 B7R0.16 CC(C(=O)N)C(=O)N MCULE-4912037399 [0,1,0,0,0,0|1,0,0]=2 551 B7R0.16 CC(C(=O)O)C(=O)O MCULE-7232226851 [0,1,0,0,0,0|1,0,0]=2 552 B7R0.16 CC(C(=O)O)N(C)C MCULE-2658921782 [0,1,0,0,0,0|3,0,0]=4 553 B7R0.16 CC(C(=O)O)N(C)C MCULE-4457336101 [0,1,0,0,0,0|3,0,0]=4 554 B7R0.16 CC(C(=O)O)N(C)N MCULE-1182323460 [0,1,0,0,0,0|2,0,0]=3 555 B7R0.16 CC(C(=O)[O-])C(=O)[O-] MCULE-4632089491 [0,1,0,0,0,0|1,0,1]=3 556 B7R0.16 CC(C(=O)[O-])C(=O)[O-] MCULE-8764180648 [0,1,0,0,0,0|1,0,1]=3 557 B7R0.16 CC(C)C(Br)C(=O)N MCULE-8059032804 [0,1,0,0,0,0|2,0,1]=4 558 B7R0.16 CC(C)C(Br)C(=O)O MCULE-7284929535 [0,1,0,0,0,0|2,0,1]=4 559 B7R0.16 CC(C)C(Br)C(=O)O MCULE-8100016953 [0,1,0,0,0,0|2,0,1]=4 560 B7R0.16 CC(C)C(C)C(=O)O MCULE-4998524686 [0,1,0,0,0,0|2,0,1]=4 561 B7R0.16 CC(C)C(Cl)C(=O)O MCULE-8634615546 [0,1,0,0,0,0|2,0,1]=4 562 B7R0.16 CC(C)C(F)C(=O)O MCULE-5644342535 [0,1,0,0,0,0|2,0,1]=4 563 B7R0.16 CC(C)C(N)C(=O)N MCULE-5793065876 [0,1,0,0,0,0|2,0,1]=4 564 B7R0.16 CC(C)C(N)C(=O)N MCULE-6836215171 [0,1,0,0,0,0|2,0,1]=4 565 B7R0.16 CC(C)C(N)C(=O)O MCULE-8140660263 [0,1,0,0,0,0|2,0,1]=4 566 B7R0.16 CC(C)C(N)C(=O)O MCULE-9199801639 [0,1,0,0,0,0|2,0,1]=4 567 B7R0.16 CC(C)C(O)C(=O)O MCULE-6517225229 [0,1,0,0,0,0|2,0,1]=4 568 B7R0.16 CC(C)C(O)C(=O)O MCULE-7748605101 [0,1,0,0,0,0|2,0,1]=4 569 B7R0.16 CC(C)[C@@H](Br)C(=O)O MCULE-2705531785 [0,1,0,0,0,0|2,0,1]=4 570 B7R0.16 CC(C)[C@@H](Br)C(=O)O MCULE-7570119486 [0,1,0,0,0,0|2,0,1]=4 571 B7R0.16 CC(C)[C@@H](N)C(=O)N MCULE-2330575489 [0,1,0,0,0,0|2,0,1]=4 572 B7R0.16 CC(C)[C@@H](N)C(=O)N MCULE-2653474443 [0,1,0,0,0,0|2,0,1]=4 573 B7R0.16 CC(C)[C@@H](N)C(=O)N MCULE-3449326352 [0,1,0,0,0,0|2,0,1]=4 574 B7R0.16 CC(C)[C@@H](N)C(=O)N MCULE-7409435805 [0,1,0,0,0,0|2,0,1]=4 575 B7R0.16 CC(C)[C@@H](N)C(=O)O MCULE-1338052740 [0,1,0,0,0,0|2,0,1]=4 576 B7R0.16 CC(C)[C@@H](N)C(=O)O MCULE-2459930572 [0,1,0,0,0,0|2,0,1]=4 577 B7R0.16 CC(C)[C@@H](O)C(=O)O MCULE-7719048521 [0,1,0,0,0,0|2,0,1]=4 578 B7R0.16 CC(C)[C@@H](O)C(=O)O MCULE-9864796653 [0,1,0,0,0,0|2,0,1]=4 579 B7R0.16 CC(C)[C@H](Br)C(=O)O MCULE-4863317096 [0,1,0,0,0,0|2,0,1]=4 580 B7R0.16 CC(C)[C@H](Br)C(=O)O MCULE-8695526864 [0,1,0,0,0,0|2,0,1]=4 581 B7R0.16 CC(C)[C@H](C)C(=O)O MCULE-4413397700 [0,1,0,0,0,0|2,0,1]=4 582 B7R0.16 CC(C)[C@H](C)C(=O)O MCULE-6269612306 [0,1,0,0,0,0|2,0,1]=4 583 B7R0.16 CC(C)[C@H](Cl)C(=O)O MCULE-8084934210 [0,1,0,0,0,0|2,0,1]=4 584 B7R0.16 CC(C)[C@H](Cl)C(=O)O MCULE-8307595659 [0,1,0,0,0,0|2,0,1]=4 585 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-1415573194 [0,1,0,0,0,0|2,0,1]=4 586 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-2742126302 [0,1,0,0,0,0|2,0,1]=4 587 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-3124084676 [0,1,0,0,0,0|2,0,1]=4 588 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-4854272542 [0,1,0,0,0,0|2,0,1]=4 589 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-7430998836 [0,1,0,0,0,0|2,0,1]=4 590 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-9899853579 [0,1,0,0,0,0|2,0,1]=4 591 B7R0.16 CC(C)[C@H](N)C(=O)O MCULE-2507309072 [0,1,0,0,0,0|2,0,1]=4 592 B7R0.16 CC(C)[C@H](N)C(=O)O MCULE-9143825935 [0,1,0,0,0,0|2,0,1]=4 593 B7R0.16 CC(C)[C@H](O)C(=O)O MCULE-1975771806 [0,1,0,0,0,0|2,0,1]=4 594 B7R0.16 CC(C)[C@H](O)C(=O)O MCULE-4070611738 [0,1,0,0,0,0|2,0,1]=4 595 B7R0.16 CC(F)C(N)C(=O)O MCULE-8810968604 [0,1,0,0,0,0|2,0,1]=4 596 B7R0.16 CC(N)C(C)C(=O)O MCULE-2921617741 [0,1,0,0,0,0|1,0,1]=3 597 B7R0.16 CC(N)C(C)C(=O)O MCULE-8511267926 [0,1,0,0,0,0|1,0,1]=3 598 B7R0.16 CC(N)C(O)C(=O)O MCULE-1086139043 [0,1,0,0,0,0|1,0,1]=3 599 B7R0.16 CC(N)C(O)C(=O)O MCULE-6405300346 [0,1,0,0,0,0|1,0,1]=3 600 B7R0.16 CC(O)C(C)C(=O)O MCULE-2499360516 [0,1,0,0,0,0|1,0,2]=4 601 B7R0.16 CC(O)C(N)C(=O)N MCULE-1234785834 [0,1,0,0,0,0|1,0,1]=3 602 B7R0.16 CC(O)C(N)C(=O)N MCULE-5867306342 [0,1,0,0,0,0|1,0,1]=3 603 B7R0.16 CC(O)C(N)C(=O)O MCULE-1563595722 [0,1,0,0,0,0|1,0,2]=4 604 B7R0.16 CC(O)C(N)C(=O)O MCULE-5581920538 [0,1,0,0,0,0|1,0,2]=4 605 B7R0.16 CN(C(=O)Cl)C(=O)Cl MCULE-8169088410 [0,1,0,0,0,0|3,0,0]=4 606 B7R0.16 C[C@@H](C(=O)O)N(C)C MCULE-1371350024 [0,1,0,0,0,0|3,0,0]=4 607 B7R0.16 C[C@@H](C(=O)O)N(C)C MCULE-2001661938 [0,1,0,0,0,0|3,0,0]=4 608 B7R0.16 C[C@@H](C(=O)O)N(C)C MCULE-6789128261 [0,1,0,0,0,0|3,0,0]=4 609 B7R0.16 C[C@@H](N)[C@@H](N)C(=O)O MCULE-5302456851 [0,1,0,0,0,0|1,0,1]=3 610 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-1663687439 [0,1,0,0,0,0|1,0,2]=4 611 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-3863591433 [0,1,0,0,0,0|1,0,2]=4 612 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-8080019797 [0,1,0,0,0,0|1,0,2]=4 613 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-9284411012 [0,1,0,0,0,0|1,0,2]=4 614 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-1969228933 [0,1,0,0,0,0|1,0,1]=3 615 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-3285041526 [0,1,0,0,0,0|1,0,1]=3 616 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-5018319528 [0,1,0,0,0,0|1,0,1]=3 617 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-6080625355 [0,1,0,0,0,0|1,0,1]=3 618 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-9393787536 [0,1,0,0,0,0|1,0,1]=3 619 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-9925689829 [0,1,0,0,0,0|1,0,1]=3 620 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-2430667007 [0,1,0,0,0,0|1,0,2]=4 621 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-2676185993 [0,1,0,0,0,0|1,0,2]=4 622 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-5254477364 [0,1,0,0,0,0|1,0,2]=4 623 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-5505393195 [0,1,0,0,0,0|1,0,2]=4 624 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-7379719940 [0,1,0,0,0,0|1,0,2]=4 625 B7R0.16 C[C@@H](O)[C@H](O)C(=O)O MCULE-9383777855 [0,1,0,0,0,0|1,0,2]=4 626 B7R0.16 C[C@H](C(=O)N)N(C)C MCULE-1489374162 [0,1,0,0,0,0|3,0,0]=4 627 B7R0.16 C[C@H](C(=O)N)N(C)C MCULE-7938995734 [0,1,0,0,0,0|3,0,0]=4 628 B7R0.16 C[C@H](C(=O)O)N(C)C MCULE-2210848569 [0,1,0,0,0,0|3,0,0]=4 629 B7R0.16 C[C@H](C(=O)O)N(C)C MCULE-5148086527 [0,1,0,0,0,0|3,0,0]=4 630 B7R0.16 C[C@H](C(=O)O)[C@@H](C)N MCULE-2245171795 [0,1,0,0,0,0|1,0,1]=3 631 B7R0.16 C[C@H](C(=O)O)[C@@H](C)N MCULE-2727261050 [0,1,0,0,0,0|1,0,1]=3 632 B7R0.16 C[C@H](C(=O)O)[C@@H](C)O MCULE-8875933839 [0,1,0,0,0,0|1,0,2]=4 633 B7R0.16 C[C@H](N)[C@@H](N)C(=O)O MCULE-9507122128 [0,1,0,0,0,0|1,0,1]=3 634 B7R0.16 C[C@H](N)[C@@H](O)C(=O)O MCULE-2574349608 [0,1,0,0,0,0|1,0,1]=3 635 B7R0.16 C[C@H](N)[C@@H](O)C(=O)O MCULE-6297204649 [0,1,0,0,0,0|1,0,1]=3 636 B7R0.16 C[C@H](N)[C@H](N)C(=O)O MCULE-3178389621 [0,1,0,0,0,0|1,0,1]=3 637 B7R0.16 C[C@H](O)C(N)C(=O)O MCULE-6661175670 [0,1,0,0,0,0|1,0,2]=4 638 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-6288272506 [0,1,0,0,0,0|1,0,2]=4 639 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-7203096302 [0,1,0,0,0,0|1,0,2]=4 640 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-9531951265 [0,1,0,0,0,0|1,0,2]=4 641 B7R0.16 C[C@H](O)[C@H](N)C(=O)O MCULE-2246314901 [0,1,0,0,0,0|1,0,2]=4 642 B7R0.16 C[C@H](O)[C@H](N)C(=O)O MCULE-9478987169 [0,1,0,0,0,0|1,0,2]=4 643 B7R0.16 NC(=O)C(Br)C(=O)N MCULE-7519162871 [0,1,0,0,0,0|1,0,0]=2 644 B7R0.16 NC(=O)C(N)C(=O)N MCULE-5338329205 [0,1,0,0,0,0|1,0,0]=2 645 B7R0.16 NC(C(=O)O)C(=O)O MCULE-6118746267 [0,1,0,0,0,0|1,0,0]=2 646 B7R0.16 O=C(O)C(=C(Cl)Cl)Cl MCULE-4004262160 [0,1,0,0,0,0|2,0,1]=4 647 B7R0.16 O=C(O)C(=O)C(=O)O MCULE-9031084199 [0,1,0,0,0,0|1,0,1]=3 648 B7R0.16 O=C(O)C(Cl)C(=O)O MCULE-9776364495 [0,1,0,0,0,0|1,0,0]=2 649 B7R0.16 O=C(O)C(F)C(=O)O MCULE-9969055570 [0,1,0,0,0,0|1,0,0]=2 650 B7R0.16 O=C(O)C(O)C(=O)O MCULE-4232935518 [0,1,0,0,0,0|1,0,0]=2 651 B7R0.16 O=C(O)C(O)C(F)F MCULE-6750020534 [0,1,0,0,0,0|2,0,1]=4 652 B7R0.16 O=C([O-])C(=O)C(=O)[O-] MCULE-3642448111 [0,1,0,0,0,0|1,0,2]=4 653 B7R0.16 O=C([O-])C(=O)C(=O)[O-] MCULE-7835235837 [0,1,0,0,0,0|1,0,2]=4 654 B7R1.2 C1(CNC(=O)C1)N MCULE-6663942203 [0,0,0,1,0,0|2,0,1]=4 655 B7R1.2 C1(CNC(=O)C1)N MCULE-7862049809 [0,0,0,1,0,0|2,0,1]=4 656 B7R1.2 C1(CNC(=O)C1)O MCULE-5557473335 [0,0,0,1,0,0|1,0,1]=3 657 B7R1.2 CC1=CC(=NO1)N MCULE-4538523254 [0,0,0,1,0,0|2,0,1]=4 658 B7R1.2 CC1=CC(=O)CO1 MCULE-6570401610 [0,0,0,1,0,0|2,0,1]=4 659 B7R1.2 CC1=CC(=O)NO1 MCULE-4569959155 [0,0,0,1,0,0|1,0,1]=3 660 B7R1.2 CC1=CC(=O)OC1 MCULE-6549202383 [0,0,0,1,0,0|2,0,1]=4 661 B7R1.2 CC1=CNC(=O)N1 MCULE-7571832495 [0,0,0,1,0,0|3,0,0]=4 662 B7R1.2 CC1=NC(=NO1)N MCULE-8189524601 [0,0,0,1,0,0|3,0,0]=4 663 B7R1.2 CC1=NC(=O)NN1 MCULE-7112378155 [0,0,0,1,0,0|3,0,0]=4 664 B7R1.2 CC1=NN=C(C1)N MCULE-4185535753 [0,0,0,1,0,0|3,0,0]=4 665 B7R1.2 CC1=NNC(=O)C1 MCULE-2406140611 [0,0,0,1,0,0|2,0,0]=3 666 B7R1.2 CC1=NOC(=O)C1 MCULE-2665741338 [0,0,0,1,0,0|1,0,1]=3 667 B7R1.2 CC1=NOC(=O)C1 MCULE-3084424307 [0,0,0,1,0,0|1,0,1]=3 668 B7R1.2 CC1=NOC(=O)O1 MCULE-5416417255 [0,0,0,1,0,0|2,0,1]=4 669 B7R1.2 CC1CC(=NO1)N MCULE-8353889650 [0,0,0,1,0,0|2,0,1]=4 670 B7R1.2 CC1CC(=O)CO1 MCULE-7022597277 [0,0,0,1,0,0|2,0,1]=4 671 B7R1.2 CC1CC(=O)NN1 MCULE-2056748401 [0,0,0,1,0,0|2,0,1]=4 672 B7R1.2 CC1CC(=O)NN1 MCULE-8107476665 [0,0,0,1,0,0|2,0,1]=4 673 B7R1.2 CC1CNC(=O)C1 MCULE-7180589009 [0,0,0,1,0,0|2,0,1]=4 674 B7R1.2 CC1COC(=O)C1 MCULE-7226555218 [0,0,0,1,0,0|2,0,1]=4 675 B7R1.2 C[C@@H]1CC(=O)CN1 MCULE-1621276410 [0,0,0,1,0,0|2,0,1]=4 676 B7R1.2 C[C@@H]1CC(=O)CN1 MCULE-8721208019 [0,0,0,1,0,0|2,0,1]=4 677 B7R1.2 C[C@@H]1CNC(=O)C1 MCULE-2439559922 [0,0,0,1,0,0|2,0,1]=4 678 B7R1.2 C[C@@H]1CNC(=O)C1 MCULE-7246323100 [0,0,0,1,0,0|2,0,1]=4 679 B7R1.2 C[C@@H]1COC(=O)C1 MCULE-1121808555 [0,0,0,1,0,0|2,0,1]=4 680 B7R1.2 C[C@@H]1COC(=O)C1 MCULE-1627827491 [0,0,0,1,0,0|2,0,1]=4 681 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-3272300487 [0,0,0,1,0,0|2,0,1]=4 682 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-4583858198 [0,0,0,1,0,0|2,0,1]=4 683 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-5135895304 [0,0,0,1,0,0|2,0,1]=4 684 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-6058896534 [0,0,0,1,0,0|2,0,1]=4 685 B7R1.2 C[C@H]1CNC(=O)C1 MCULE-3395896178 [0,0,0,1,0,0|2,0,1]=4 686 B7R1.2 C[C@H]1CNC(=O)C1 MCULE-8492971593 [0,0,0,1,0,0|2,0,1]=4 687 B7R1.2 C[C@H]1COC(=O)C1 MCULE-6050720348 [0,0,0,1,0,0|2,0,1]=4 688 B7R1.2 NC1=CC(=NO1)O MCULE-4713053247 [0,0,0,1,0,0|1,0,2]=4 689 B7R1.2 NC1=CC(=O)CC1 MCULE-9465243079 [0,0,0,1,0,0|2,0,1]=4 690 B7R1.2 NC1=CC(=O)CS1 MCULE-9118810823 [0,0,0,1,0,0|1,1,1]=4 691 B7R1.2 NC1=CC(=O)NN1 MCULE-6721529473 [0,0,0,1,0,0|2,0,1]=4 692 B7R1.2 NC1=NC(=CS1)O MCULE-3638877946 [0,0,0,1,0,0|2,1,0]=4 693 B7R1.2 NC1=NC(=O)C=N1 MCULE-2020007120 [0,0,0,1,0,0|3,0,0]=4 694 B7R1.2 NC1=NC(=O)C=N1 MCULE-3303233815 [0,0,0,1,0,0|3,0,0]=4 695 B7R1.2 NC1=NC(=O)CO1 MCULE-5739646901 [0,0,0,1,0,0|2,0,1]=4 696 B7R1.2 NC1=NC(=O)CS1 MCULE-1329225872 [0,0,0,1,0,0|2,1,0]=4 697 B7R1.2 NC1=NC(=O)CS1 MCULE-6008399337 [0,0,0,1,0,0|2,1,0]=4 698 B7R1.2 NC1=NCC(=O)N1 MCULE-7816305365 [0,0,0,1,0,0|3,0,0]=4 699 B7R1.2 NC1=NCC(=O)N1 MCULE-9546104284 [0,0,0,1,0,0|3,0,0]=4 700 B7R1.2 NC1=NCC(=O)S1 MCULE-1885235061 [0,0,0,1,0,0|3,0,0]=4 701 B7R1.2 NC1=NN=C(S1)O MCULE-9726286357 [0,0,0,1,0,0|3,0,0]=4 702 B7R1.2 NC1=NNC(=O)C1 MCULE-1000997494 [0,0,0,1,0,0|2,0,0]=3 703 B7R1.2 NC1=NNC(=O)N1 MCULE-9633941721 [0,0,0,1,0,0|3,0,0]=4 704 B7R1.2 NC1=NOC(=N1)N MCULE-9500709375 [0,0,0,1,0,0|3,0,0]=4 705 B7R1.2 NC1=NOC(=N1)O MCULE-4783377241 [0,0,0,1,0,0|2,0,1]=4 706 B7R1.2 NC1CCC(=O)C1 MCULE-5102535286 [0,0,0,1,0,0|2,0,1]=4 707 B7R1.2 NC1CCC(=O)C1 MCULE-7722818264 [0,0,0,1,0,0|2,0,1]=4 708 B7R1.2 NC1CNC(=O)C1 MCULE-1690074091 [0,0,0,1,0,0|2,0,1]=4 709 B7R1.2 NC1CNC(=O)C1 MCULE-2563813057 [0,0,0,1,0,0|2,0,1]=4 710 B7R1.2 NC1CNC(=O)C1 MCULE-5332234739 [0,0,0,1,0,0|2,0,1]=4 711 B7R1.2 NC1CNC(=O)C1 MCULE-9955937074 [0,0,0,1,0,0|2,0,1]=4 712 B7R1.2 NC1COC(=O)C1 MCULE-1027386953 [0,0,0,1,0,0|1,0,1]=3 713 B7R1.2 NC1COC(=O)C1 MCULE-1493825051 [0,0,0,1,0,0|1,0,1]=3 714 B7R1.2 NC1COC(=O)C1 MCULE-3118610284 [0,0,0,1,0,0|1,0,1]=3 715 B7R1.2 NC1COC(=O)C1 MCULE-8194840985 [0,0,0,1,0,0|1,0,1]=3 716 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-1502944618 [0,0,0,1,0,0|2,0,1]=4 717 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-2444469131 [0,0,0,1,0,0|2,0,1]=4 718 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-7277309874 [0,0,0,1,0,0|2,0,1]=4 719 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-8533160250 [0,0,0,1,0,0|2,0,1]=4 720 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-2437548952 [0,0,0,1,0,0|1,0,1]=3 721 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-4215135536 [0,0,0,1,0,0|1,0,1]=3 722 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-4884145743 [0,0,0,1,0,0|1,0,1]=3 723 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-9276068415 [0,0,0,1,0,0|1,0,1]=3 724 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-1884894725 [0,0,0,1,0,0|2,0,1]=4 725 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-2130809002 [0,0,0,1,0,0|2,0,1]=4 726 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-3881338264 [0,0,0,1,0,0|2,0,1]=4 727 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-4324375667 [0,0,0,1,0,0|2,0,1]=4 728 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-5900761307 [0,0,0,1,0,0|2,0,1]=4 729 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-6007209179 [0,0,0,1,0,0|2,0,1]=4 730 B7R1.2 N[C@H]1COC(=O)C1 MCULE-2936782126 [0,0,0,1,0,0|1,0,1]=3 731 B7R1.2 N[C@H]1COC(=O)C1 MCULE-4255876921 [0,0,0,1,0,0|1,0,1]=3 732 B7R1.2 N[C@H]1COC(=O)C1 MCULE-5377151477 [0,0,0,1,0,0|1,0,1]=3 733 B7R1.2 N[C@H]1COC(=O)C1 MCULE-6406960509 [0,0,0,1,0,0|1,0,1]=3 734 B7R1.2 O=C1C=C(CC1)O MCULE-4815747510 [0,0,0,1,0,0|2,0,1]=4 735 B7R1.2 O=C1C=C(CN1)Br MCULE-7250904402 [0,0,0,1,0,0|2,0,1]=4 736 B7R1.2 O=C1C=C(CN1)O MCULE-4305405716 [0,0,0,1,0,0|1,0,1]=3 737 B7R1.2 O=C1C=C(CO1)Br MCULE-8883097432 [0,0,0,1,0,0|2,0,1]=4 738 B7R1.2 O=C1C=C(CO1)O MCULE-5095558101 [0,0,0,1,0,0|1,0,2]=4 739 B7R1.2 O=C1C=C(SN1)Cl MCULE-6118293142 [0,0,0,1,0,0|1,1,1]=4 740 B7R1.2 O=C1C=CC(=O)C1 MCULE-7662591278 [0,0,0,1,0,0|2,0,0]=3 741 B7R1.2 O=C1C=CC(=O)N1 MCULE-3677915339 [0,0,0,1,0,0|3,0,0]=4 742 B7R1.2 O=C1C=CC(=O)O1 MCULE-5322674641 [0,0,0,1,0,0|3,0,0]=4 743 B7R1.2 O=C1C=CC(C1)O MCULE-6464451546 [0,0,0,1,0,0|2,0,1]=4 744 B7R1.2 O=C1C=C[C@@H](C1)O MCULE-4535052390 [0,0,0,1,0,0|2,0,1]=4 745 B7R1.2 O=C1C=C[C@H](C1)O MCULE-9347047598 [0,0,0,1,0,0|2,0,1]=4 746 B7R1.2 O=C1CC(=CO1)O MCULE-3691688750 [0,0,0,1,0,0|1,0,1]=3 747 B7R1.2 O=C1CC(=O)NN1 MCULE-4591056937 [0,0,0,1,0,0|1,0,0]=2 748 B7R1.2 O=C1CC(CN1)O MCULE-8498039777 [0,0,0,1,0,0|1,0,1]=3 749 B7R1.2 O=C1CC(CN1)S MCULE-3257609096 [0,0,0,1,0,0|1,1,1]=4 750 B7R1.2 O=C1CC(CO1)O MCULE-3779919332 [0,0,0,1,0,0|1,0,2]=4 751 B7R1.2 O=C1CC(CO1)O MCULE-5609071664 [0,0,0,1,0,0|1,0,2]=4 752 B7R1.2 O=C1CCC(=O)C1 MCULE-6436831689 [0,0,0,1,0,0|2,0,0]=3 753 B7R1.2 O=C1CCC(=O)N1 MCULE-8278049979 [0,0,0,1,0,0|3,0,0]=4 754 B7R1.2 O=C1CCC(=O)O1 MCULE-1458819618 [0,0,0,1,0,0|3,0,0]=4 755 B7R1.2 O=C1CCC(C1)O MCULE-8500536547 [0,0,0,1,0,0|2,0,1]=4 756 B7R1.2 O=C1CNC(=O)C1 MCULE-6981924013 [0,0,0,1,0,0|1,0,0]=2 757 B7R1.2 O=C1CNC(=O)N1 MCULE-6812812243 [0,0,0,1,0,0|2,0,0]=3 758 B7R1.2 O=C1CNC(=O)O1 MCULE-7702120642 [0,0,0,1,0,0|2,0,0]=3 759 B7R1.2 O=C1CNC(=O)S1 MCULE-5050685903 [0,0,0,1,0,0|2,0,0]=3 760 B7R1.2 O=C1CNC(=S)N1 MCULE-3766479597 [0,0,0,1,0,0|2,1,0]=4 761 B7R1.2 O=C1CNC(=S)S1 MCULE-4359186239 [0,0,0,1,0,0|2,1,0]=4 762 B7R1.2 O=C1COC(=O)C1 MCULE-3258090872 [0,0,0,1,0,0|1,0,0]=2 763 B7R1.2 O=C1COC(=O)N1 MCULE-3103815953 [0,0,0,1,0,0|2,0,0]=3 764 B7R1.2 O=C1COC(=O)[N-]1 MCULE-2786348217 [0,0,0,1,0,0|2,0,0]=3 765 B7R1.2 O=C1CSC(=O)N1 MCULE-8206580994 [0,0,0,1,0,0|2,1,0]=4 766 B7R1.2 O=C1C[C@@H](CN1)O MCULE-2016792324 [0,0,0,1,0,0|1,0,1]=3 767 B7R1.2 O=C1C[C@@H](CN1)O MCULE-9756194758 [0,0,0,1,0,0|1,0,1]=3 768 B7R1.2 O=C1C[C@@H](CO1)O MCULE-1467506377 [0,0,0,1,0,0|1,0,2]=4 769 B7R1.2 O=C1C[C@@H](CO1)O MCULE-3668466479 [0,0,0,1,0,0|1,0,2]=4 770 B7R1.2 O=C1C[C@H](CN1)O MCULE-2017150152 [0,0,0,1,0,0|1,0,1]=3 771 B7R1.2 O=C1C[C@H](CN1)O MCULE-5168961542 [0,0,0,1,0,0|1,0,1]=3 772 B7R1.2 O=C1C[C@H](CN1)S MCULE-6980612759 [0,0,0,1,0,0|1,1,1]=4 773 B7R1.2 O=C1C[C@H](CN1)S MCULE-7205538285 [0,0,0,1,0,0|1,1,1]=4 774 B7R1.2 O=C1C[C@H](CO1)O MCULE-5756899897 [0,0,0,1,0,0|1,0,2]=4 775 B7R1.2 O=C1C[C@H](CO1)O MCULE-6247095672 [0,0,0,1,0,0|1,0,2]=4 776 B7R1.2 O=C1N=C(NN1)S MCULE-4550378114 [0,0,0,1,0,0|2,1,0]=4 777 B7R1.2 O=C1NC(=CS1)O MCULE-2237666080 [0,0,0,1,0,0|3,0,0]=4 778 B7R1.2 O=C1NC=C(S1)Cl MCULE-7571560638 [0,0,0,1,0,0|3,0,0]=4 779 B7R1.2 O=C1NCC(=S)N1 MCULE-9753398150 [0,0,0,1,0,0|2,1,0]=4 780 B7R1.2 O=C1NN=C(N1)Br MCULE-1124720587 [0,0,0,1,0,0|3,0,0]=4 781 B7R1.2 O=C1NN=C(N1)Cl MCULE-5593292847 [0,0,0,1,0,0|3,0,0]=4 782 B7R1.2 O=C1NN=C(S1)Cl MCULE-9941660941 [0,0,0,1,0,0|3,0,0]=4 783 B7R1.2 O=C1NNC(=O)N1 MCULE-5611157961 [0,0,0,1,0,0|2,0,0]=3 784 B7R1.2 O=C1NOC(=O)N1 MCULE-5599103299 [0,0,0,1,0,0|1,0,0]=2 785 B7R1.12 C=C1CC1C(=O)O MCULE-4330944573 [0,0,0,1,0,0|2,0,0]=3 786 B7R1.12 CC1=CC1C(=O)O MCULE-6979504623 [0,0,0,1,0,0|2,0,0]=3 787 B7R1.12 CC1CC1C(=O)N MCULE-4145079494 [0,0,0,1,0,0|2,0,1]=4 788 B7R1.12 CC1CC1C(=O)O MCULE-1757330006 [0,0,0,1,0,0|2,0,1]=4 789 B7R1.12 CC1SC1C(=O)N MCULE-7010314546 [0,0,0,1,0,0|1,1,1]=4 790 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O MCULE-1245851874 [0,0,0,1,0,0|2,0,1]=4 791 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O MCULE-9582782871 [0,0,0,1,0,0|2,0,1]=4 792 B7R1.12 C[C@@H]1C[C@H]1C(=O)O MCULE-2621918749 [0,0,0,1,0,0|2,0,1]=4 793 B7R1.12 C[C@@H]1C[C@H]1C(=O)O MCULE-7347988261 [0,0,0,1,0,0|2,0,1]=4 794 B7R1.12 C[C@H]1C[C@@H]1C(=O)O MCULE-4499487863 [0,0,0,1,0,0|2,0,1]=4 795 B7R1.12 C[C@H]1C[C@@H]1C(=O)O MCULE-9300153165 [0,0,0,1,0,0|2,0,1]=4 796 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-4410115478 [0,0,0,1,0,0|2,0,1]=4 797 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-6590525761 [0,0,0,1,0,0|2,0,1]=4 798 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-8070492716 [0,0,0,1,0,0|2,0,1]=4 799 B7R1.12 NC(=O)C1CC1N MCULE-9433325277 [0,0,0,1,0,0|2,0,1]=4 800 B7R1.12 NC(=O)[C@@H]1C[C@@H]1F MCULE-2857193174 [0,0,0,1,0,0|2,0,1]=4 801 B7R1.12 O=C(O)C1CC1Br MCULE-6387317137 [0,0,0,1,0,0|2,0,1]=4 802 B7R1.12 O=C(O)C1CC1Cl MCULE-8907850405 [0,0,0,1,0,0|2,0,1]=4 803 B7R1.12 O=C(O)C1CC1F MCULE-8258481986 [0,0,0,1,0,0|2,0,1]=4 804 B7R1.12 O=C(O)C1CC1I MCULE-9535592263 [0,0,0,1,0,0|2,0,1]=4 805 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F MCULE-1882710455 [0,0,0,1,0,0|2,0,1]=4 806 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F MCULE-7715660561 [0,0,0,1,0,0|2,0,1]=4 807 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F MCULE-7741460434 [0,0,0,1,0,0|2,0,1]=4 808 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I MCULE-2594739726 [0,0,0,1,0,0|2,0,1]=4 809 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I MCULE-3033770510 [0,0,0,1,0,0|2,0,1]=4 810 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I MCULE-6224902495 [0,0,0,1,0,0|2,0,1]=4 811 B7R1.12 O=C(O)[C@@H]1C[C@H]1Br MCULE-3031410853 [0,0,0,1,0,0|2,0,1]=4 812 B7R1.12 O=C(O)[C@@H]1C[C@H]1F MCULE-1201733028 [0,0,0,1,0,0|2,0,1]=4 813 B7R1.12 O=C(O)[C@@H]1C[C@H]1F MCULE-5963625184 [0,0,0,1,0,0|2,0,1]=4 814 B7R1.12 O=C(O)[C@@H]1C[C@H]1F MCULE-9724617114 [0,0,0,1,0,0|2,0,1]=4 815 B7R1.12 O=C(O)[C@@H]1C[C@H]1I MCULE-3702576454 [0,0,0,1,0,0|2,0,1]=4 816 B7R1.12 O=C(O)[C@H]1C[C@@H]1F MCULE-3766204952 [0,0,0,1,0,0|2,0,1]=4 817 B7R1.12 O=C(O)[C@H]1C[C@@H]1F MCULE-4258983574 [0,0,0,1,0,0|2,0,1]=4 818 B7R1.12 O=C(O)[C@H]1C[C@H]1Br MCULE-3094747797 [0,0,0,1,0,0|2,0,1]=4 819 B7R1.12 O=C(O)[C@H]1C[C@H]1F MCULE-7993479857 [0,0,0,1,0,0|2,0,1]=4 820 B7R1.12 O=C(O)[C@H]1C[C@H]1F MCULE-9922834235 [0,0,0,1,0,0|2,0,1]=4 821 B7R1.12 O=C(O)[C@H]1C[C@H]1I MCULE-5714437007 [0,0,0,1,0,0|2,0,1]=4 822 B7R1.12 O=C(O)[C@H]1C[C@H]1I MCULE-8000208987 [0,0,0,1,0,0|2,0,1]=4 823 B7R1.12 [C@H]1(C[C@H]1C(=O)O)C MCULE-9539625763 [0,0,0,1,0,0|2,0,1]=4 824 B7R1.16 CC1(CC(=O)C1)N MCULE-1739432720 [0,0,0,1,0,0|2,0,1]=4 825 B7R1.16 CC1(CC(=O)C1)N MCULE-2529462721 [0,0,0,1,0,0|2,0,1]=4 826 B7R1.16 CC1(CC(=O)N1)C MCULE-5555898363 [0,0,0,1,0,0|2,0,1]=4 827 B7R1.16 O=C1CS(=O)(=O)C1 MCULE-9020745203 [0,0,0,1,0,0|2,0,1]=4 828 B7R1.20 NC(=O)CC1CC1 MCULE-3835601763 [0,0,0,1,0,0|2,0,1]=4 829 B7R1.20 NC(=O)CC1CO1 MCULE-9954364706 [0,0,0,1,0,0|1,0,1]=3 830 B7R1.20 O=C(O)C=C1CC1 MCULE-7214971091 [0,0,0,1,0,0|2,0,1]=4 831 B7R1.20 O=C(O)CC1CC1 MCULE-3026300598 [0,0,0,1,0,0|2,0,1]=4 832 B7R1.20 O=C(O)CC1CO1 MCULE-5322663834 [0,0,0,1,0,0|1,0,2]=4 833 B7R1.20 O=C(O)C[C@H]1CO1 MCULE-2418249972 [0,0,0,1,0,0|1,0,2]=4 834 B5R0.5 C=C(Br)C(=O)O MCULE-2068246942 [0,0,0,0,1,0|2,0,0]=3 835 B5R0.5 C=C(C)C(=O)C MCULE-5872425076 [0,0,0,0,1,0|3,0,0]=4 836 B5R0.5 C=C(C)C(=O)Cl MCULE-9163474336 [0,0,0,0,1,0|3,0,0]=4 837 B5R0.5 C=C(C)C(=O)N MCULE-3416322097 [0,0,0,0,1,0|2,0,0]=3 838 B5R0.5 C=C(C)C(=O)O MCULE-9899621926 [0,0,0,0,1,0|2,0,0]=3 839 B5R0.5 C=C(C)C(=O)[O-] MCULE-5299174444 [0,0,0,0,1,0|2,0,1]=4 840 B5R0.5 C=C(C)C(=O)[O-] MCULE-7320418926 [0,0,0,0,1,0|2,0,1]=4 841 B5R0.5 C=C(C)C(=O)[O-] MCULE-7347881815 [0,0,0,0,1,0|2,0,1]=4 842 B5R0.5 C=C(Cl)C(=O)O MCULE-8316225208 [0,0,0,0,1,0|2,0,0]=3 843 B5R0.5 C=C(F)C(=O)Cl MCULE-6769824615 [0,0,0,0,1,0|3,0,0]=4 844 B5R0.5 C=C(F)C(=O)O MCULE-7137929861 [0,0,0,0,1,0|2,0,0]=3 845 B5R0.5 C=C(F)C(=O)[O-] MCULE-1806853701 [0,0,0,0,1,0|2,0,1]=4 846 B5R0.5 CC(=O)C(=O)C MCULE-5742661187 [0,0,0,0,1,0|2,0,0]=3 847 B5R0.5 CC(=O)C(=O)Cl MCULE-3413498860 [0,0,0,0,1,0|2,0,0]=3 848 B5R0.5 CC(=O)C(=O)N MCULE-6804734996 [0,0,0,0,1,0|1,0,0]=2 849 B5R0.5 CC(=O)C(=O)O MCULE-8587144313 [0,0,0,0,1,0|1,0,0]=2 850 B5R0.5 CC(=O)C(=O)[O-] MCULE-2773521709 [0,0,0,0,1,0|1,0,1]=3 851 B5R0.5 CC(=O)C(=O)[O-] MCULE-7007482346 [0,0,0,0,1,0|1,0,1]=3 852 B5R0.5 CC(=O)C(=O)[O-] MCULE-8344520452 [0,0,0,0,1,0|1,0,1]=3 853 B5R0.5 CC(=O)C(=S)N MCULE-3142518834 [0,0,0,0,1,0|1,1,0]=3 854 B5R0.5 CC(=O)C(C)N MCULE-5716124999 [0,0,0,0,1,0|2,0,1]=4 855 B5R0.5 CC(=O)C(C)N MCULE-9248002534 [0,0,0,0,1,0|2,0,1]=4 856 B5R0.5 CC(=O)C(C)O MCULE-5374414264 [0,0,0,0,1,0|2,0,1]=4 857 B5R0.5 CC(=O)N(C)N MCULE-2447375293 [0,0,0,0,1,0|3,0,0]=4 858 B5R0.5 CC(=O)[C@H](C)N MCULE-2609095078 [0,0,0,0,1,0|2,0,1]=4 859 B5R0.5 CC(=O)[C@H](C)N MCULE-6039921944 [0,0,0,0,1,0|2,0,1]=4 860 B5R0.5 CC(=O)[C@H](C)N MCULE-6387613992 [0,0,0,0,1,0|2,0,1]=4 861 B5R0.5 CC(=O)[C@H](C)N MCULE-7052375323 [0,0,0,0,1,0|2,0,1]=4 862 B5R0.5 CC(Br)C(=O)N MCULE-9226586148 [0,0,0,0,1,0|2,0,1]=4 863 B5R0.5 CC(Br)C(=O)O MCULE-3935837943 [0,0,0,0,1,0|2,0,1]=4 864 B5R0.5 CC(Br)C(=O)O MCULE-6068441065 [0,0,0,0,1,0|2,0,1]=4 865 B5R0.5 CC(C)C(=O)N MCULE-9773835068 [0,0,0,0,1,0|2,0,1]=4 866 B5R0.5 CC(C)C(=O)O MCULE-7783770647 [0,0,0,0,1,0|2,0,1]=4 867 B5R0.5 CC(Cl)C(=O)N MCULE-5322078211 [0,0,0,0,1,0|2,0,1]=4 868 B5R0.5 CC(Cl)C(=O)O MCULE-3597230803 [0,0,0,0,1,0|2,0,1]=4 869 B5R0.5 CC(Cl)C(=O)O MCULE-5449120618 [0,0,0,0,1,0|2,0,1]=4 870 B5R0.5 CC(F)C(=O)O MCULE-7334922730 [0,0,0,0,1,0|2,0,1]=4 871 B5R0.5 CC(I)C(=O)N MCULE-8608495554 [0,0,0,0,1,0|2,0,1]=4 872 B5R0.5 CC(N)C(=O)N MCULE-1264398810 [0,0,0,0,1,0|2,0,1]=4 873 B5R0.5 CC(N)C(=O)N MCULE-2251123672 [0,0,0,0,1,0|2,0,1]=4 874 B5R0.5 CC(N)C(=O)N MCULE-2273926073 [0,0,0,0,1,0|2,0,1]=4 875 B5R0.5 CC(N)C(=O)N MCULE-5340923071 [0,0,0,0,1,0|2,0,1]=4 876 B5R0.5 CC(N)C(=O)N MCULE-6061233032 [0,0,0,0,1,0|2,0,1]=4 877 B5R0.5 CC(N)C(=O)N MCULE-9273221837 [0,0,0,0,1,0|2,0,1]=4 878 B5R0.5 CC(N)C(=O)O MCULE-3498369789 [0,0,0,0,1,0|1,0,1]=3 879 B5R0.5 CC(N)C(=O)O MCULE-3809839392 [0,0,0,0,1,0|1,0,1]=3 880 B5R0.5 CC(N)C(=O)O MCULE-4751903561 [0,0,0,0,1,0|1,0,1]=3 881 B5R0.5 CC(N)C(=O)O MCULE-6963397848 [0,0,0,0,1,0|1,0,1]=3 882 B5R0.5 CC(O)C(=N)N MCULE-4358846536 [0,0,0,0,1,0|2,0,1]=4 883 B5R0.5 CC(O)C(=N)N MCULE-5644516205 [0,0,0,0,1,0|2,0,1]=4 884 B5R0.5 CC(O)C(=O)N MCULE-6247123668 [0,0,0,0,1,0|1,0,1]=3 885 B5R0.5 CC(O)C(=O)N MCULE-7823792358 [0,0,0,0,1,0|1,0,1]=3 886 B5R0.5 CC(O)C(=O)O MCULE-3922256529 [0,0,0,0,1,0|1,0,2]=4 887 B5R0.5 CC(O)C(=O)O MCULE-5387110670 [0,0,0,0,1,0|1,0,2]=4 888 B5R0.5 CC(O)C(=O)[O-] MCULE-1056716990 [0,0,0,0,1,0|2,0,1]=4 889 B5R0.5 CC(O)C(=O)[O-] MCULE-8184872865 [0,0,0,0,1,0|2,0,1]=4 890 B5R0.5 CC(O)C(=O)[O-] MCULE-8730993694 [0,0,0,0,1,0|2,0,1]=4 891 B5R0.5 CC(S)C(=O)N MCULE-1465182001 [0,0,0,0,1,0|1,1,1]=4 892 B5R0.5 CC(S)C(=O)O MCULE-6944738352 [0,0,0,0,1,0|1,1,1]=4 893 B5R0.5 CN(C)C(=O)N MCULE-3142720631 [0,0,0,0,1,0|3,0,0]=4 894 B5R0.5 CN(C)C(=O)O MCULE-1039144559 [0,0,0,0,1,0|3,0,0]=4 895 B5R0.5 CN(N)C(=O)N MCULE-9114734246 [0,0,0,0,1,0|3,0,0]=4 896 B5R0.5 C[C@@H](Br)C(=O)O MCULE-8303539222 [0,0,0,0,1,0|2,0,1]=4 897 B5R0.5 C[C@@H](Br)C(=O)O MCULE-8530283309 [0,0,0,0,1,0|2,0,1]=4 898 B5R0.5 C[C@@H](Cl)C(=O)O MCULE-6578788045 [0,0,0,0,1,0|2,0,1]=4 899 B5R0.5 C[C@@H](Cl)C(=O)O MCULE-8314108697 [0,0,0,0,1,0|2,0,1]=4 900 B5R0.5 C[C@@H](F)C(=O)N MCULE-1505685009 [0,0,0,0,1,0|2,0,1]=4 901 B5R0.5 C[C@@H](N)C(=O)N MCULE-4677983549 [0,0,0,0,1,0|2,0,1]=4 902 B5R0.5 C[C@@H](N)C(=O)N MCULE-6112443507 [0,0,0,0,1,0|2,0,1]=4 903 B5R0.5 C[C@@H](N)C(=O)N MCULE-7940270709 [0,0,0,0,1,0|2,0,1]=4 904 B5R0.5 C[C@@H](N)C(=O)N MCULE-8482332558 [0,0,0,0,1,0|2,0,1]=4 905 B5R0.5 C[C@@H](N)C(=O)O MCULE-3571488623 [0,0,0,0,1,0|1,0,1]=3 906 B5R0.5 C[C@@H](N)C(=O)O MCULE-9756365751 [0,0,0,0,1,0|1,0,1]=3 907 B5R0.5 C[C@@H](O)C(=N)N MCULE-1498978023 [0,0,0,0,1,0|2,0,1]=4 908 B5R0.5 C[C@@H](O)C(=N)N MCULE-6124491136 [0,0,0,0,1,0|2,0,1]=4 909 B5R0.5 C[C@@H](O)C(=N)N MCULE-7410387081 [0,0,0,0,1,0|2,0,1]=4 910 B5R0.5 C[C@@H](O)C(=N)N MCULE-9566288141 [0,0,0,0,1,0|2,0,1]=4 911 B5R0.5 C[C@@H](O)C(=O)N MCULE-2026557726 [0,0,0,0,1,0|1,0,1]=3 912 B5R0.5 C[C@@H](O)C(=O)N MCULE-8056291801 [0,0,0,0,1,0|1,0,1]=3 913 B5R0.5 C[C@@H](O)C(=O)O MCULE-4625208788 [0,0,0,0,1,0|1,0,2]=4 914 B5R0.5 C[C@@H](O)C(=O)O MCULE-9141235095 [0,0,0,0,1,0|1,0,2]=4 915 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-5673591667 [0,0,0,0,1,0|2,0,1]=4 916 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-8146434340 [0,0,0,0,1,0|2,0,1]=4 917 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-9026662277 [0,0,0,0,1,0|2,0,1]=4 918 B5R0.5 C[C@H](Br)C(=O)O MCULE-4788730445 [0,0,0,0,1,0|2,0,1]=4 919 B5R0.5 C[C@H](Br)C(=O)O MCULE-9354978281 [0,0,0,0,1,0|2,0,1]=4 920 B5R0.5 C[C@H](Cl)C(=O)O MCULE-4816831649 [0,0,0,0,1,0|2,0,1]=4 921 B5R0.5 C[C@H](Cl)C(=O)O MCULE-8389122613 [0,0,0,0,1,0|2,0,1]=4 922 B5R0.5 C[C@H](F)C(=O)N MCULE-7457242428 [0,0,0,0,1,0|2,0,1]=4 923 B5R0.5 C[C@H](N)C(=O)N MCULE-4716963408 [0,0,0,0,1,0|2,0,1]=4 924 B5R0.5 C[C@H](N)C(=O)N MCULE-6879702251 [0,0,0,0,1,0|2,0,1]=4 925 B5R0.5 C[C@H](N)C(=O)N MCULE-7090555441 [0,0,0,0,1,0|2,0,1]=4 926 B5R0.5 C[C@H](N)C(=O)N MCULE-7293369315 [0,0,0,0,1,0|2,0,1]=4 927 B5R0.5 C[C@H](N)C(=O)N MCULE-7341432132 [0,0,0,0,1,0|2,0,1]=4 928 B5R0.5 C[C@H](N)C(=O)N MCULE-7556063213 [0,0,0,0,1,0|2,0,1]=4 929 B5R0.5 C[C@H](N)C(=O)N MCULE-8320991932 [0,0,0,0,1,0|2,0,1]=4 930 B5R0.5 C[C@H](N)C(=O)N MCULE-8491573930 [0,0,0,0,1,0|2,0,1]=4 931 B5R0.5 C[C@H](N)C(=O)O MCULE-4916719758 [0,0,0,0,1,0|1,0,1]=3 932 B5R0.5 C[C@H](N)C(=O)O MCULE-5261590548 [0,0,0,0,1,0|1,0,1]=3 933 B5R0.5 C[C@H](N)C(=O)O MCULE-7791919887 [0,0,0,0,1,0|1,0,1]=3 934 B5R0.5 C[C@H](N)C(=O)O MCULE-8724854497 [0,0,0,0,1,0|1,0,1]=3 935 B5R0.5 C[C@H](O)C(=O)N MCULE-8400190365 [0,0,0,0,1,0|1,0,1]=3 936 B5R0.5 C[C@H](O)C(=O)O MCULE-5695391344 [0,0,0,0,1,0|1,0,2]=4 937 B5R0.5 C[C@H](O)C(=O)O MCULE-8864689875 [0,0,0,0,1,0|1,0,2]=4 938 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-1034285072 [0,0,0,0,1,0|2,0,1]=4 939 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-3598405830 [0,0,0,0,1,0|2,0,1]=4 940 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-7525689298 [0,0,0,0,1,0|2,0,1]=4 941 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-8057429776 [0,0,0,0,1,0|2,0,1]=4 942 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-8729310894 [0,0,0,0,1,0|2,0,1]=4 943 B5R0.5 N=C(N)S(=O)O MCULE-7034022108 [0,0,0,0,1,0|2,0,0]=3 944 B5R0.5 NC(=O)C(=O)N MCULE-9024594322 [0,0,0,0,1,0|1,0,0]=2 945 B5R0.5 NC(=O)C(=O)O MCULE-4442165428 [0,0,0,0,1,0|0,0,0]=1 946 B5R0.5 NC(=O)C(=O)[O-] MCULE-6520154385 [0,0,0,0,1,0|0,0,1]=2 947 B5R0.5 NC(=O)C(=O)[O-] MCULE-9489956613 [0,0,0,0,1,0|0,0,1]=2 948 B5R0.5 NC(=O)C(Cl)Br MCULE-9082770089 [0,0,0,0,1,0|2,0,1]=4 949 B5R0.5 NC(=O)C(Cl)Cl MCULE-3389337354 [0,0,0,0,1,0|2,0,1]=4 950 B5R0.5 NC(=O)C(F)Br MCULE-8795303515 [0,0,0,0,1,0|2,0,1]=4 951 B5R0.5 NC(=O)C(F)Cl MCULE-4267127037 [0,0,0,0,1,0|2,0,1]=4 952 B5R0.5 NC(=O)C(F)F MCULE-7881392368 [0,0,0,0,1,0|2,0,1]=4 953 B5R0.5 NC(=O)C(F)I MCULE-6067421301 [0,0,0,0,1,0|2,0,1]=4 954 B5R0.5 NC(=S)C(=S)N MCULE-3109255800 [0,0,0,0,1,0|1,2,0]=4 955 B5R0.5 NC(O)C(=O)O MCULE-6546070388 [0,0,0,0,1,0|0,0,2]=3 956 B5R0.5 O=C(Br)C(=O)Br MCULE-6502494359 [0,0,0,0,1,0|2,0,0]=3 957 B5R0.5 O=C(Cl)C(=O)Cl MCULE-7263932124 [0,0,0,0,1,0|2,0,0]=3 958 B5R0.5 O=C(O)C(=O)O MCULE-2859436444 [0,0,0,0,1,0|1,0,0]=2 959 B5R0.5 O=C(O)C(=O)O MCULE-3054574273 [0,0,0,0,1,0|1,0,0]=2 960 B5R0.5 O=C(O)C(=O)O MCULE-4285591204 [0,0,0,0,1,0|1,0,0]=2 961 B5R0.5 O=C(O)C(=O)O MCULE-4461843798 [0,0,0,0,1,0|1,0,0]=2 962 B5R0.5 O=C(O)C(=O)O MCULE-6031758101 [0,0,0,0,1,0|1,0,0]=2 963 B5R0.5 O=C(O)C(=O)O MCULE-6647815245 [0,0,0,0,1,0|1,0,0]=2 964 B5R0.5 O=C(O)C(=O)O MCULE-7895971003 [0,0,0,0,1,0|1,0,0]=2 965 B5R0.5 O=C(O)C(=O)O MCULE-8046063377 [0,0,0,0,1,0|1,0,0]=2 966 B5R0.5 O=C(O)C(=O)O MCULE-8198551041 [0,0,0,0,1,0|1,0,0]=2 967 B5R0.5 O=C(O)C(=O)O MCULE-8472527874 [0,0,0,0,1,0|1,0,0]=2 968 B5R0.5 O=C(O)C(=O)O MCULE-9701145416 [0,0,0,0,1,0|1,0,0]=2 969 B5R0.5 O=C(O)C(Br)Br MCULE-4908900588 [0,0,0,0,1,0|2,0,1]=4 970 B5R0.5 O=C(O)C(Cl)Br MCULE-4569127340 [0,0,0,0,1,0|2,0,1]=4 971 B5R0.5 O=C(O)C(Cl)Cl MCULE-1246638159 [0,0,0,0,1,0|2,0,1]=4 972 B5R0.5 O=C(O)C(F)Br MCULE-5639771935 [0,0,0,0,1,0|2,0,1]=4 973 B5R0.5 O=C(O)C(F)Cl MCULE-8791727704 [0,0,0,0,1,0|2,0,1]=4 974 B5R0.5 O=C(O)C(F)F MCULE-9791449975 [0,0,0,0,1,0|2,0,1]=4 975 B5R0.5 O=C(O)C(F)I MCULE-2596137309 [0,0,0,0,1,0|2,0,1]=4 976 B5R0.5 O=C(O)C(O)O MCULE-8045135900 [0,0,0,0,1,0|1,0,2]=4 977 B5R0.5 O=C(O)[C@@H](F)Cl MCULE-9934674808 [0,0,0,0,1,0|2,0,1]=4 978 B5R0.5 O=C(O)[C@H](F)Cl MCULE-8184552815 [0,0,0,0,1,0|2,0,1]=4 979 B5R0.5 O=C([O-])C(=O)[O-] MCULE-1850167183 [0,0,0,0,1,0|1,0,1]=3 980 B5R0.5 O=C([O-])C(=O)[O-] MCULE-2102182772 [0,0,0,0,1,0|1,0,1]=3 981 B5R0.5 O=C([O-])C(=O)[O-] MCULE-2594600365 [0,0,0,0,1,0|1,0,1]=3 982 B5R0.5 O=C([O-])C(=O)[O-] MCULE-2876490980 [0,0,0,0,1,0|1,0,1]=3 983 B5R0.5 O=C([O-])C(=O)[O-] MCULE-4875218588 [0,0,0,0,1,0|1,0,1]=3 984 B5R0.5 O=C([O-])C(=O)[O-] MCULE-6598296804 [0,0,0,0,1,0|1,0,1]=3 985 B5R0.5 O=C([O-])C(=O)[O-] MCULE-6729461006 [0,0,0,0,1,0|1,0,1]=3 986 B5R0.5 O=C([O-])C(=O)[O-] MCULE-7607695802 [0,0,0,0,1,0|1,0,1]=3 987 B5R0.5 [C@@H](C)(O)C(=O)N MCULE-6953360641 [0,0,0,0,1,0|1,0,1]=3 988 B7R0.6 C=C(Br)CCC(=O)O MCULE-5257916083 [0,0,0,0,0,1|2,0,0]=3 989 B7R0.6 C=C(Br)CNC(=O)C MCULE-4123179812 [0,0,0,0,0,1|3,0,0]=4 990 B7R0.6 C=C(C)CCC(=O)C MCULE-4201277876 [0,0,0,0,0,1|3,0,0]=4 991 B7R0.6 C=C(C)CCC(=O)N MCULE-7602727888 [0,0,0,0,0,1|2,0,0]=3 992 B7R0.6 C=C(C)CCC(=O)O MCULE-8738532812 [0,0,0,0,0,1|2,0,0]=3 993 B7R0.6 C=C(C)CNC(=S)N MCULE-3514300945 [0,0,0,0,0,1|2,1,0]=4 994 B7R0.6 C=C(C)COC(=O)C MCULE-7739945243 [0,0,0,0,0,1|3,0,0]=4 995 B7R0.6 C=C(C)NCC(=O)O MCULE-6347105994 [0,0,0,0,0,1|2,0,0]=3 996 B7R0.6 C=C(Cl)CCC(=O)O MCULE-8617886776 [0,0,0,0,0,1|2,0,0]=3 997 B7R0.6 C=C(Cl)CSC(=O)C MCULE-4264447992 [0,0,0,0,0,1|3,0,0]=4 998 B7R0.6 CC(=CCC(=O)O)C MCULE-2552993418 [0,0,0,0,0,1|2,0,0]=3 999 B7R0.6 CC(=CCC(=O)[O-])C MCULE-6283758684 [0,0,0,0,0,1|2,0,1]=4 1000 B7R0.6 CC(=NNC(=O)N)C MCULE-9452330207 [0,0,0,0,0,1|3,0,0]=4 1001 B7R0.6 CC(=O)/C=C/C(=O)O MCULE-8768861026 [0,0,0,0,0,1|1,0,1]=3 1002 B7R0.6 CC(=O)C=CC(=O)C MCULE-9472466140 [0,0,0,0,0,1|2,0,1]=4 1003 B7R0.6 CC(=O)C=CC(=O)Cl MCULE-8865772819 [0,0,0,0,0,1|2,0,1]=4 1004 B7R0.6 CC(=O)C=CC(=O)O MCULE-6867353277 [0,0,0,0,0,1|1,0,1]=3 1005 B7R0.6 CC(=O)CCC(=O)C MCULE-3166810473 [0,0,0,0,0,1|2,0,0]=3 1006 B7R0.6 CC(=O)CCC(=O)N MCULE-8943258659 [0,0,0,0,0,1|1,0,0]=2 1007 B7R0.6 CC(=O)CCC(=O)O MCULE-1392778065 [0,0,0,0,0,1|1,0,0]=2 1008 B7R0.6 CC(=O)CCC(=O)[O-] MCULE-4975344808 [0,0,0,0,0,1|1,0,1]=3 1009 B7R0.6 CC(=O)CCN(=O)=O MCULE-4726243654 [0,0,0,0,0,1|2,0,1]=4 1010 B7R0.6 CC(=O)CNC(=O)C MCULE-7941086302 [0,0,0,0,0,1|2,0,0]=3 1011 B7R0.6 CC(=O)CNC(=O)Cl MCULE-2043888982 [0,0,0,0,0,1|2,0,0]=3 1012 B7R0.6 CC(=O)COC(=O)C MCULE-2994552521 [0,0,0,0,0,1|2,0,0]=3 1013 B7R0.6 CC(=O)NCC(=O)Cl MCULE-3900899057 [0,0,0,0,0,1|2,0,0]=3 1014 B7R0.6 CC(=O)NCC(=O)N MCULE-7934502236 [0,0,0,0,0,1|1,0,0]=2 1015 B7R0.6 CC(=O)NCC(=O)O MCULE-5811325186 [0,0,0,0,0,1|1,0,0]=2 1016 B7R0.6 CC(=O)NCC(C)O MCULE-2406798273 [0,0,0,0,0,1|2,0,1]=4 1017 B7R0.6 CC(=O)NNC(=O)C MCULE-3292268906 [0,0,0,0,0,1|3,0,0]=4 1018 B7R0.6 CC(=O)NNC(=S)N MCULE-4923078693 [0,0,0,0,0,1|2,1,0]=4 1019 B7R0.6 CC(=O)OCC(=O)Cl MCULE-3086938222 [0,0,0,0,0,1|2,0,0]=3 1020 B7R0.6 CC(=O)OCC(=O)O MCULE-6837320824 [0,0,0,0,0,1|1,0,0]=2 1021 B7R0.6 CC(=O)OCC(=S)N MCULE-7893306089 [0,0,0,0,0,1|1,1,0]=3 1022 B7R0.6 CC(=O)OCC(C)O MCULE-3660209140 [0,0,0,0,0,1|2,0,1]=4 1023 B7R0.6 CC(=O)SCC(=O)O MCULE-1974657694 [0,0,0,0,0,1|1,0,0]=2 1024 B7R0.6 CC(=S)NCC(=O)O MCULE-9052571833 [0,0,0,0,0,1|1,1,0]=3 1025 B7R0.6 CC(C)CCC(=O)N MCULE-3571818514 [0,0,0,0,0,1|2,0,1]=4 1026 B7R0.6 CC(C)CCC(=O)O MCULE-7691755837 [0,0,0,0,0,1|2,0,1]=4 1027 B7R0.6 CC(C)CNC(=O)N MCULE-8112905719 [0,0,0,0,0,1|2,0,1]=4 1028 B7R0.6 CC(C)COC(=O)N MCULE-3163620577 [0,0,0,0,0,1|2,0,1]=4 1029 B7R0.6 CC(C)NCC(=O)N MCULE-3100213662 [0,0,0,0,0,1|2,0,1]=4 1030 B7R0.6 CC(C)NCC(=O)N MCULE-9178070179 [0,0,0,0,0,1|2,0,1]=4 1031 B7R0.6 CC(C)NCC(=O)O MCULE-4344882030 [0,0,0,0,0,1|2,0,1]=4 1032 B7R0.6 CC(C)NCC(=O)O MCULE-7052227156 [0,0,0,0,0,1|2,0,1]=4 1033 B7R0.6 CC(C)OCC(=O)O MCULE-8295905061 [0,0,0,0,0,1|2,0,1]=4 1034 B7R0.6 CC(C)SCC(=O)O MCULE-3990750464 [0,0,0,0,0,1|2,0,1]=4 1035 B7R0.6 CC(N)CCC(=O)O MCULE-3711689460 [0,0,0,0,0,1|1,0,1]=3 1036 B7R0.6 CC(N)CCC(=O)O MCULE-5008572656 [0,0,0,0,0,1|1,0,1]=3 1037 B7R0.6 CC(O)CCC(=O)O MCULE-6352217997 [0,0,0,0,0,1|1,0,2]=4 1038 B7R0.6 CC(O)CCC(=O)[O-] MCULE-5872581098 [0,0,0,0,0,1|2,0,1]=4 1039 B7R0.6 CC(S)CCC(=O)O MCULE-9612173883 [0,0,0,0,0,1|1,1,1]=4 1040 B7R0.6 CN(C)CCC(=O)O MCULE-5553815845 [0,0,0,0,0,1|3,0,0]=4 1041 B7R0.6 CN(C)CCC(=O)O MCULE-7454823322 [0,0,0,0,0,1|3,0,0]=4 1042 B7R0.6 CS(=O)CCC(=O)O MCULE-8243349779 [0,0,0,0,0,1|2,0,0]=3 1043 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-3295260637 [0,0,0,0,0,1|1,0,1]=3 1044 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-5409083898 [0,0,0,0,0,1|1,0,1]=3 1045 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-6530230723 [0,0,0,0,0,1|1,0,1]=3 1046 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-7530095699 [0,0,0,0,0,1|1,0,1]=3 1047 B7R0.6 C[C@@H](O)COC(=O)O MCULE-3794886346 [0,0,0,0,0,1|1,0,2]=4 1048 B7R0.6 C[C@H](N)CCC(=O)O MCULE-3621527632 [0,0,0,0,0,1|1,0,1]=3 1049 B7R0.6 C[C@H](N)CCC(=O)O MCULE-7670557122 [0,0,0,0,0,1|1,0,1]=3 1050 B7R0.6 C[S+](C)CCC(=O)O MCULE-8115187503 [0,0,0,0,0,1|3,0,0]=4 1051 B7R0.6 C[S+](C)CCC(=O)O MCULE-9668037011 [0,0,0,0,0,1|3,0,0]=4 1052 B7R0.6 N=C(N)NCC(=O)O MCULE-8180759180 [0,0,0,0,0,1|1,0,0]=2 1053 B7R0.6 N=C(N)NCC(=O)O MCULE-8327589872 [0,0,0,0,0,1|1,0,0]=2 1054 B7R0.6 N=C(N)SCC(=O)N MCULE-5295318661 [0,0,0,0,0,1|2,0,0]=3 1055 B7R0.6 N=C(N)SCC(=O)N MCULE-9179434239 [0,0,0,0,0,1|2,0,0]=3 1056 B7R0.6 N=C(N)SCC(=O)O MCULE-2089510220 [0,0,0,0,0,1|1,0,0]=2 1057 B7R0.6 N=C(N)SCC(=O)O MCULE-3427937751 [0,0,0,0,0,1|1,0,0]=2 1058 B7R0.6 NC(=O)/C=C/C(=O)N MCULE-4395066945 [0,0,0,0,0,1|1,0,1]=3 1059 B7R0.6 NC(=O)/C=C/C(=O)O MCULE-4042951919 [0,0,0,0,0,1|0,0,1]=2 1060 B7R0.6 NC(=O)/C=C\C(=O)O MCULE-9066996879 [0,0,0,0,0,1|0,0,1]=2 1061 B7R0.6 NC(=O)/N=N/C(=O)N MCULE-4339161906 [0,0,0,0,0,1|2,0,0]=3 1062 B7R0.6 NC(=O)C#CC(=O)N MCULE-4585775503 [0,0,0,0,0,1|1,0,1]=3 1063 B7R0.6 NC(=O)C=CC(=O)N MCULE-6392282813 [0,0,0,0,0,1|1,0,1]=3 1064 B7R0.6 NC(=O)C=CC(=O)O MCULE-2401877342 [0,0,0,0,0,1|0,0,1]=2 1065 B7R0.6 NC(=O)CCC(=O)N MCULE-2107382817 [0,0,0,0,0,1|1,0,0]=2 1066 B7R0.6 NC(=O)CCC(=O)O MCULE-5813999826 [0,0,0,0,0,1|0,0,0]=1 1067 B7R0.6 NC(=O)CNC(=S)N MCULE-6504333241 [0,0,0,0,0,1|1,1,0]=3 1068 B7R0.6 NC(=O)N=NC(=O)N MCULE-2129487615 [0,0,0,0,0,1|2,0,0]=3 1069 B7R0.6 NC(=O)NCC(=O)O MCULE-7640310218 [0,0,0,0,0,1|0,0,0]=1 1070 B7R0.6 NC(=O)NNC(=O)N MCULE-1306740070 [0,0,0,0,0,1|2,0,0]=3 1071 B7R0.6 NC(=O)NNC(=S)N MCULE-4551414784 [0,0,0,0,0,1|2,1,0]=4 1072 B7R0.6 NC(=O)SCC(=O)O MCULE-2409074226 [0,0,0,0,0,1|0,0,0]=1 1073 B7R0.6 NC(=S)NCC(=O)O MCULE-7421473219 [0,0,0,0,0,1|0,1,0]=2 1074 B7R0.6 O=C(Cl)/C=C/C(=O)Cl MCULE-6214609191 [0,0,0,0,0,1|2,0,1]=4 1075 B7R0.6 O=C(Cl)C=CC(=O)Cl MCULE-7022763562 [0,0,0,0,0,1|2,0,1]=4 1076 B7R0.6 O=C(Cl)CCC(=O)Cl MCULE-6220065982 [0,0,0,0,0,1|2,0,0]=3 1077 B7R0.6 O=C(O)/C=C/C(=O)O MCULE-3549142744 [0,0,0,0,0,1|1,0,1]=3 1078 B7R0.6 O=C(O)/C=C/C(=O)O MCULE-5263906793 [0,0,0,0,0,1|1,0,1]=3 1079 B7R0.6 O=C(O)/C=C\C(=O)O MCULE-1113222985 [0,0,0,0,0,1|1,0,1]=3 1080 B7R0.6 O=C(O)C#CC(=O)O MCULE-3952041688 [0,0,0,0,0,1|1,0,1]=3 1081 B7R0.6 O=C(O)C=CC(=O)O MCULE-5329407890 [0,0,0,0,0,1|1,0,1]=3 1082 B7R0.6 O=C(O)C=CC(=O)O MCULE-7492596773 [0,0,0,0,0,1|1,0,1]=3 1083 B7R0.6 O=C(O)C=CC(=O)O MCULE-8076793268 [0,0,0,0,0,1|1,0,1]=3 1084 B7R0.6 O=C(O)C=CC(=O)O MCULE-9488315563 [0,0,0,0,0,1|1,0,1]=3 1085 B7R0.6 O=C(O)C=CC(=O)O MCULE-9920754312 [0,0,0,0,0,1|1,0,1]=3 1086 B7R0.6 O=C(O)CCB(O)O MCULE-9351023222 [0,0,0,0,0,1|2,0,1]=4 1087 B7R0.6 O=C(O)CCC(=O)O MCULE-1233211613 [0,0,0,0,0,1|1,0,0]=2 1088 B7R0.6 O=C(O)CCC(=O)O MCULE-5889111640 [0,0,0,0,0,1|1,0,0]=2 1089 B7R0.6 O=C(O)CCC(F)F MCULE-6002651269 [0,0,0,0,0,1|2,0,1]=4 1090 B7R0.6 O=C(O)CCN(=O)=O MCULE-1879231817 [0,0,0,0,0,1|2,0,0]=3 1091 B7R0.6 O=C(O)COC(F)F MCULE-1418551422 [0,0,0,0,0,1|2,0,1]=4 1092 B7R0.6 O=C(O)CSC(F)F MCULE-6609650116 [0,0,0,0,0,1|2,0,1]=4 1093 B7R0.6 O=C(O)N=NC(=O)O MCULE-6858626658 [0,0,0,0,0,1|2,0,0]=3 1094 B7R0.6 O=C([O-])/C=C/C(=O)[O-] MCULE-2177227992 [0,0,0,0,0,1|1,0,2]=4 1095 B7R0.6 O=C([O-])C#CC(=O)O MCULE-8275918466 [0,0,0,0,0,1|1,0,1]=3 1096 B7R0.6 O=C([O-])C#CC(=O)[O-] MCULE-8160569506 [0,0,0,0,0,1|1,0,2]=4 1097 B7R0.6 O=C([O-])C=CC(=O)[O-] MCULE-1618249570 [0,0,0,0,0,1|1,0,2]=4 1098 B7R0.6 O=C([O-])CCC(=O)O MCULE-9149947862 [0,0,0,0,0,1|1,0,0]=2 1099 B7R0.6 O=C([O-])CCC(=O)[O-] MCULE-6304944077 [0,0,0,0,0,1|1,0,1]=3 1100 B7R0.6 O=C([O-])N=NC(=O)[O-] MCULE-3382785265 [0,0,0,0,0,1|2,0,1]=4 1101 B4R0.1 C#CC(=O)N MCULE-1832868146 [2,0,0,0,0,0|0,0,2]=4 1102 B4R0.1 C#CC(=O)O MCULE-8764256624 [2,0,0,0,0,0|0,0,2]=4 1103 B4R0.1 C(C)(N)CO MCULE-5844242932 [2,0,0,0,0,0|1,0,1]=4 1104 B4R0.1 C/C(=N/O)/N MCULE-5595239824 [2,0,0,0,0,0|2,0,0]=4 1105 B4R0.1 C/C(=N\O)/N MCULE-8004142092 [2,0,0,0,0,0|2,0,0]=4 1106 B4R0.1 C=C(Br)C=O MCULE-9500973388 [2,0,0,0,0,0|2,0,0]=4 1107 B4R0.1 C=C(Br)CN MCULE-1170417597 [2,0,0,0,0,0|2,0,0]=4 1108 B4R0.1 C=C(Br)CN MCULE-9190049156 [2,0,0,0,0,0|2,0,0]=4 1109 B4R0.1 C=C(Br)CO MCULE-7763893047 [2,0,0,0,0,0|2,0,0]=4 1110 B4R0.1 C=C(C)C=O MCULE-3758355501 [2,0,0,0,0,0|2,0,0]=4 1111 B4R0.1 C=C(C)CN MCULE-1033495975 [2,0,0,0,0,0|2,0,0]=4 1112 B4R0.1 C=C(C)CN MCULE-8730181300 [2,0,0,0,0,0|2,0,0]=4 1113 B4R0.1 C=C(C)CO MCULE-8641288398 [2,0,0,0,0,0|2,0,0]=4 1114 B4R0.1 C=C(Cl)CN MCULE-2159410121 [2,0,0,0,0,0|2,0,0]=4 1115 B4R0.1 C=C(Cl)CN MCULE-3454023553 [2,0,0,0,0,0|2,0,0]=4 1116 B4R0.1 C=C(Cl)CO MCULE-8813337564 [2,0,0,0,0,0|2,0,0]=4 1117 B4R0.1 C=C(F)CN MCULE-1603171858 [2,0,0,0,0,0|2,0,0]=4 1118 B4R0.1 C=C(F)CN MCULE-3878727292 [2,0,0,0,0,0|2,0,0]=4 1119 B4R0.1 C=C(F)CO MCULE-2779963696 [2,0,0,0,0,0|2,0,0]=4 1120 B4R0.1 C=C(I)CO MCULE-2533897125 [2,0,0,0,0,0|2,0,0]=4 1121 B4R0.1 C=CC(=O)C MCULE-4924646293 [2,0,0,0,0,0|1,0,1]=4 1122 B4R0.1 C=CC(=O)Cl MCULE-3579233798 [2,0,0,0,0,0|1,0,1]=4 1123 B4R0.1 C=CC(=O)N MCULE-4309430654 [2,0,0,0,0,0|0,0,1]=3 1124 B4R0.1 C=CC(=O)O MCULE-9352227082 [2,0,0,0,0,0|0,0,1]=3 1125 B4R0.1 C=CC(=O)[O-] MCULE-3928960314 [2,0,0,0,0,0|0,0,2]=4 1126 B4R0.1 C=CC(=O)[O-] MCULE-4331301308 [2,0,0,0,0,0|0,0,2]=4 1127 B4R0.1 C=CC(=O)[O-] MCULE-5516854555 [2,0,0,0,0,0|0,0,2]=4 1128 B4R0.1 CC(=O)C=O MCULE-2718961814 [2,0,0,0,0,0|1,0,0]=3 1129 B4R0.1 CC(=O)CBr MCULE-7812920675 [2,0,0,0,0,0|2,0,0]=4 1130 B4R0.1 CC(=O)CCl MCULE-2501365933 [2,0,0,0,0,0|2,0,0]=4 1131 B4R0.1 CC(=O)CF MCULE-7417279999 [2,0,0,0,0,0|2,0,0]=4 1132 B4R0.1 CC(=O)CN MCULE-2715277783 [2,0,0,0,0,0|1,0,0]=3 1133 B4R0.1 CC(=O)CN MCULE-6004541862 [2,0,0,0,0,0|1,0,0]=3 1134 B4R0.1 CC(=O)CO MCULE-2989526028 [2,0,0,0,0,0|1,0,0]=3 1135 B4R0.1 CC(=O)CS MCULE-9736174016 [2,0,0,0,0,0|1,1,0]=4 1136 B4R0.1 CC(=O)NN MCULE-9183467120 [2,0,0,0,0,0|2,0,0]=4 1137 B4R0.1 CC(=O)NO MCULE-2682231025 [2,0,0,0,0,0|2,0,0]=4 1138 B4R0.1 CC(=O)OO MCULE-6028338742 [2,0,0,0,0,0|2,0,0]=4 1139 B4R0.1 CC(N)C=O MCULE-3421118418 [2,0,0,0,0,0|1,0,1]=4 1140 B4R0.1 CC(N)CO MCULE-1361379423 [2,0,0,0,0,0|1,0,1]=4 1141 B4R0.1 CC(N)CO MCULE-2098440985 [2,0,0,0,0,0|1,0,1]=4 1142 B4R0.1 CC(O)CN MCULE-4370440652 [2,0,0,0,0,0|1,0,1]=4 1143 B4R0.1 CC(O)CN MCULE-5694317743 [2,0,0,0,0,0|1,0,1]=4 1144 B4R0.1 CC(O)CN MCULE-6406041538 [2,0,0,0,0,0|1,0,1]=4 1145 B4R0.1 CC(O)CN MCULE-6636652305 [2,0,0,0,0,0|1,0,1]=4 1146 B4R0.1 CCC(=N)N MCULE-1856575742 [2,0,0,0,0,0|1,0,1]=4 1147 B4R0.1 CCC(=N)N MCULE-2534386807 [2,0,0,0,0,0|1,0,1]=4 1148 B4R0.1 CCC(=O)Br MCULE-7870678619 [2,0,0,0,0,0|1,0,1]=4 1149 B4R0.1 CCC(=O)C MCULE-8276670748 [2,0,0,0,0,0|1,0,1]=4 1150 B4R0.1 CCC(=O)Cl MCULE-3081874391 [2,0,0,0,0,0|1,0,1]=4 1151 B4R0.1 CCC(=O)F MCULE-8783887670 [2,0,0,0,0,0|1,0,1]=4 1152 B4R0.1 CCC(=O)N MCULE-3730796130 [2,0,0,0,0,0|0,0,1]=3 1153 B4R0.1 CCC(=O)O MCULE-2199051150 [2,0,0,0,0,0|0,0,1]=3 1154 B4R0.1 CCC(=O)O MCULE-9800054040 [2,0,0,0,0,0|0,0,1]=3 1155 B4R0.1 CCC(=O)S MCULE-3392119766 [2,0,0,0,0,0|0,1,1]=4 1156 B4R0.1 CCC(=O)[O-] MCULE-6321502767 [2,0,0,0,0,0|0,0,2]=4 1157 B4R0.1 CCC(=S)N MCULE-3921479699 [2,0,0,0,0,0|0,1,1]=4 1158 B4R0.1 CCS(=O)O MCULE-9872932319 [2,0,0,0,0,0|1,0,1]=4 1159 B4R0.1 CN(N)C=O MCULE-6353057165 [2,0,0,0,0,0|2,0,0]=4 1160 B4R0.1 CNC(=O)N MCULE-6422331704 [2,0,0,0,0,0|1,0,1]=4 1161 B4R0.1 COC(=O)N MCULE-4070607369 [2,0,0,0,0,0|1,0,1]=4 1162 B4R0.1 C[C@@H](N)CO MCULE-5655560645 [2,0,0,0,0,0|1,0,1]=4 1163 B4R0.1 C[C@@H](N)CO MCULE-8066658004 [2,0,0,0,0,0|1,0,1]=4 1164 B4R0.1 C[C@@H](O)C=O MCULE-5921136435 [2,0,0,0,0,0|1,0,1]=4 1165 B4R0.1 C[C@@H](O)CN MCULE-9301041927 [2,0,0,0,0,0|1,0,1]=4 1166 B4R0.1 C[C@H](N)CO MCULE-2471107013 [2,0,0,0,0,0|1,0,1]=4 1167 B4R0.1 C[C@H](N)CO MCULE-5424195678 [2,0,0,0,0,0|1,0,1]=4 1168 B4R0.1 C[C@H](O)CN MCULE-3227371869 [2,0,0,0,0,0|1,0,1]=4 1169 B4R0.1 C[C@H](O)CN MCULE-5480489257 [2,0,0,0,0,0|1,0,1]=4 1170 B4R0.1 N=C(N)CCl MCULE-1495198330 [2,0,0,0,0,0|2,0,0]=4 1171 B4R0.1 N=C(N)CCl MCULE-2087468158 [2,0,0,0,0,0|2,0,0]=4 1172 B4R0.1 N=C(N)CF MCULE-4489534021 [2,0,0,0,0,0|2,0,0]=4 1173 B4R0.1 N=C(N)CF MCULE-8858704396 [2,0,0,0,0,0|2,0,0]=4 1174 B4R0.1 N=C(N)CN MCULE-2761790792 [2,0,0,0,0,0|2,0,0]=4 1175 B4R0.1 N=C(N)CN MCULE-5131841850 [2,0,0,0,0,0|2,0,0]=4 1176 B4R0.1 N=C(N)CN MCULE-6618111844 [2,0,0,0,0,0|2,0,0]=4 1177 B4R0.1 N=C(N)CO MCULE-5146395919 [2,0,0,0,0,0|1,0,0]=3 1178 B4R0.1 N=C(N)CO MCULE-8814507460 [2,0,0,0,0,0|1,0,0]=3 1179 B4R0.1 N=C(N)NO MCULE-2554837832 [2,0,0,0,0,0|2,0,0]=4 1180 B4R0.1 N=C(N)NO MCULE-5458374815 [2,0,0,0,0,0|2,0,0]=4 1181 B4R0.1 N=C(N)NO MCULE-5913043834 [2,0,0,0,0,0|2,0,0]=4 1182 B4R0.1 NC(=NO)N MCULE-7650923271 [2,0,0,0,0,0|2,0,0]=4 1183 B4R0.1 NC(=O)CBr MCULE-9306090536 [2,0,0,0,0,0|1,0,0]=3 1184 B4R0.1 NC(=O)CCl MCULE-3241549842 [2,0,0,0,0,0|1,0,0]=3 1185 B4R0.1 NC(=O)CF MCULE-3344212657 [2,0,0,0,0,0|1,0,0]=3 1186 B4R0.1 NC(=O)CI MCULE-4217973413 [2,0,0,0,0,0|1,0,0]=3 1187 B4R0.1 NC(=O)CO MCULE-2739878376 [2,0,0,0,0,0|0,0,0]=2 1188 B4R0.1 NC(=O)CS MCULE-2639305532 [2,0,0,0,0,0|0,1,0]=3 1189 B4R0.1 NC(=O)NO MCULE-9465284053 [2,0,0,0,0,0|1,0,0]=3 1190 B4R0.1 NC(=S)CF MCULE-7873791134 [2,0,0,0,0,0|1,1,0]=4 1191 B4R0.1 NC(=S)CO MCULE-9301705313 [2,0,0,0,0,0|0,1,0]=3 1192 B4R0.1 NCC(=O)N MCULE-1048848056 [2,0,0,0,0,0|1,0,0]=3 1193 B4R0.1 NCC(=O)N MCULE-2174395809 [2,0,0,0,0,0|1,0,0]=3 1194 B4R0.1 NCC(=O)N MCULE-6113166250 [2,0,0,0,0,0|1,0,0]=3 1195 B4R0.1 NCC(=O)O MCULE-2415764032 [2,0,0,0,0,0|0,0,0]=2 1196 B4R0.1 NCC(=O)O MCULE-3643110755 [2,0,0,0,0,0|0,0,0]=2 1197 B4R0.1 NCC(=O)O MCULE-4349255299 [2,0,0,0,0,0|0,0,0]=2 1198 B4R0.1 NCC(=O)O MCULE-9146223615 [2,0,0,0,0,0|0,0,0]=2 1199 B4R0.1 NCC(=O)O MCULE-9701991737 [2,0,0,0,0,0|0,0,0]=2 1200 B4R0.1 NCC(=O)S MCULE-9837799864 [2,0,0,0,0,0|0,1,0]=3 1201 B4R0.1 NCC(=O)[O-] MCULE-5975202378 [2,0,0,0,0,0|0,0,1]=3 1202 B4R0.1 NCS(=O)[O-] MCULE-6627922989 [2,0,0,0,0,0|1,0,1]=4 1203 B4R0.1 NCS(=O)[O-] MCULE-9434739250 [2,0,0,0,0,0|1,0,1]=4 1204 B4R0.1 NNC(=O)N MCULE-3392559370 [2,0,0,0,0,0|2,0,0]=4 1205 B4R0.1 NNC(=O)N MCULE-8490374775 [2,0,0,0,0,0|2,0,0]=4 1206 B4R0.1 O=C(Br)CBr MCULE-6031858200 [2,0,0,0,0,0|2,0,0]=4 1207 B4R0.1 O=C(Cl)CBr MCULE-7684029984 [2,0,0,0,0,0|2,0,0]=4 1208 B4R0.1 O=C(Cl)CCl MCULE-7076914635 [2,0,0,0,0,0|2,0,0]=4 1209 B4R0.1 O=C(Cl)CF MCULE-7182087882 [2,0,0,0,0,0|2,0,0]=4 1210 B4R0.1 O=C(Cl)CI MCULE-5719121455 [2,0,0,0,0,0|2,0,0]=4 1211 B4R0.1 O=C(O)CBr MCULE-1503716137 [2,0,0,0,0,0|1,0,0]=3 1212 B4R0.1 O=C(O)CCl MCULE-9228754880 [2,0,0,0,0,0|1,0,0]=3 1213 B4R0.1 O=C(O)CF MCULE-6584094437 [2,0,0,0,0,0|1,0,0]=3 1214 B4R0.1 O=C(O)CI MCULE-3146792857 [2,0,0,0,0,0|1,0,0]=3 1215 B4R0.1 O=C(O)CO MCULE-9792551388 [2,0,0,0,0,0|0,0,1]=3 1216 B4R0.1 O=C(O)CS MCULE-8097997001 [2,0,0,0,0,0|0,1,0]=3 1217 B4R0.1 O=C([O-])CF MCULE-8428965857 [2,0,0,0,0,0|1,0,1]=4 1218 B4R0.1 O=C([O-])CO MCULE-2780567509 [2,0,0,0,0,0|1,0,0]=3 1219 B4R0.1 O=C([O-])CS MCULE-3314809220 [2,0,0,0,0,0|0,1,1]=4 1220 B4R0.1 O=C([O-])CS MCULE-5989133747 [2,0,0,0,0,0|0,1,1]=4 1221 B4R0.1 O=CC(=O)O MCULE-5307898766 [2,0,0,0,0,0|0,0,0]=2 1222 B4R0.1 O=S(O)CO MCULE-4195832185 [2,0,0,0,0,0|1,0,1]=4 1223 B4R0.1 O=S([O-])CO MCULE-5211722344 [2,0,0,0,0,0|2,0,0]=4 1224 B4R0.1 P(=O)(O)CN MCULE-5441171864 [2,0,0,0,0,0|1,0,0]=3 1225 B4R0.1 [C@H](C)(O)CN MCULE-8212000072 [2,0,0,0,0,0|1,0,1]=4 1226 B4R0.2 C/C=C/C=O MCULE-9924705308 [2,0,0,0,0,0|1,0,1]=4 1227 B4R0.2 C=CCCN MCULE-2471716627 [2,0,0,0,0,0|1,0,1]=4 1228 B4R0.2 C=CCCN MCULE-2881108697 [2,0,0,0,0,0|1,0,1]=4 1229 B4R0.2 C=CCCO MCULE-4582400839 [2,0,0,0,0,0|1,0,1]=4 1230 B4R0.2 C=CCNN MCULE-2550690274 [2,0,0,0,0,0|2,0,0]=4 1231 B4R0.2 C=CCNN MCULE-3554567414 [2,0,0,0,0,0|2,0,0]=4 1232 B4R0.2 C=CCNN MCULE-8741523989 [2,0,0,0,0,0|2,0,0]=4 1233 B4R0.2 C=CCON MCULE-2094787759 [2,0,0,0,0,0|2,0,0]=4 1234 B4R0.2 C=CCON MCULE-6222602533 [2,0,0,0,0,0|2,0,0]=4 1235 B4R0.2 C=CNC=O MCULE-8403928899 [2,0,0,0,0,0|2,0,0]=4 1236 B4R0.2 CC=CC=O MCULE-2497362981 [2,0,0,0,0,0|1,0,1]=4 1237 B4R0.2 CCCC=O MCULE-8530391347 [2,0,0,0,0,0|1,0,1]=4 1238 B4R0.2 COCC=O MCULE-9427361019 [2,0,0,0,0,0|2,0,0]=4 1239 B4R0.2 N/C=C/C=O MCULE-2444951625 [2,0,0,0,0,0|0,0,1]=3 1240 B4R0.2 NC=CC=O MCULE-4070918342 [2,0,0,0,0,0|0,0,1]=3 1241 B4R0.2 NCCCO MCULE-2851278356 [2,0,0,0,0,0|0,0,2]=4 1242 B4R0.2 NCCCO MCULE-9698089092 [2,0,0,0,0,0|0,0,2]=4 1243 B4R0.2 NNCCO MCULE-1290652744 [2,0,0,0,0,0|1,0,1]=4 1244 B4R0.2 NOCCO MCULE-2545004367 [2,0,0,0,0,0|1,0,1]=4 1245 B4R0.2 O=CCCBr MCULE-4107157458 [2,0,0,0,0,0|1,0,1]=4 1246 B4R0.2 O=CCCCl MCULE-5863929313 [2,0,0,0,0,0|1,0,1]=4 1247 B4R0.2 O=CCCI MCULE-9771140462 [2,0,0,0,0,0|1,0,1]=4 1248 B4R0.2 O=CCCO MCULE-1685289763 [2,0,0,0,0,0|0,0,1]=3 1249 B4R0.2 O=CNC=O MCULE-3098379420 [2,0,0,0,0,0|1,0,0]=3 1250 B4R0.2 O=COC=O MCULE-6311384332 [2,0,0,0,0,0|1,0,0]=3 1251 B4R0.2 O=C[N-]C=O MCULE-4923470284 [2,0,0,0,0,0|1,0,0]=3 1252 B6R0.1 C#CCC(=O)OC MCULE-8097491486 [1,1,0,0,0,0|1,0,1]=4 1253 B6R0.1 C/C=C/C(=O)OC MCULE-8935178488 [1,1,0,0,0,0|1,0,1]=4 1254 B6R0.1 C=CC/C(=N/O)/N MCULE-6681864760 [1,1,0,0,0,0|1,0,1]=4 1255 B6R0.1 C=CCC(=O)CN MCULE-3960819679 [1,1,0,0,0,0|1,0,0]=3 1256 B6R0.1 C=CCC(=O)CN MCULE-8089375331 [1,1,0,0,0,0|1,0,0]=3 1257 B6R0.1 C=CCC(=O)NC MCULE-4823208577 [1,1,0,0,0,0|1,0,0]=3 1258 B6R0.1 C=CCC(=O)OC MCULE-5546680906 [1,1,0,0,0,0|1,0,0]=3 1259 B6R0.1 CC=CC(=O)OC MCULE-1093700917 [1,1,0,0,0,0|1,0,1]=4 1260 B6R0.1 CCCC(=O)CN MCULE-4663263123 [1,1,0,0,0,0|1,0,1]=4 1261 B6R0.1 CCCC(=O)CN MCULE-6326368932 [1,1,0,0,0,0|1,0,1]=4 1262 B6R0.1 CCCC(=O)CO MCULE-6518249412 [1,1,0,0,0,0|1,0,1]=4 1263 B6R0.1 CCCC(=O)NC MCULE-5770149071 [1,1,0,0,0,0|1,0,1]=4 1264 B6R0.1 CCCC(=O)NN MCULE-3660167295 [1,1,0,0,0,0|1,0,1]=4 1265 B6R0.1 CCCC(=O)NO MCULE-8710375368 [1,1,0,0,0,0|1,0,1]=4 1266 B6R0.1 CCCC(=O)OC MCULE-1092030267 [1,1,0,0,0,0|1,0,1]=4 1267 B6R0.1 CNC(=O)CC#N MCULE-2970000161 [1,1,0,0,0,0|1,0,1]=4 1268 B6R0.1 CNC(=O)CCBr MCULE-9239224841 [1,1,0,0,0,0|1,0,1]=4 1269 B6R0.1 CNC(=O)CCCl MCULE-7130866366 [1,1,0,0,0,0|1,0,1]=4 1270 B6R0.1 CNC(=O)CCN MCULE-1374127264 [1,1,0,0,0,0|1,0,1]=4 1271 B6R0.1 CNC(=O)CCN MCULE-3948893656 [1,1,0,0,0,0|1,0,1]=4 1272 B6R0.1 CNC(=O)CCO MCULE-3222339741 [1,1,0,0,0,0|0,0,1]=3 1273 B6R0.1 CNC(=O)CCS MCULE-2385806944 [1,1,0,0,0,0|0,1,1]=4 1274 B6R0.1 CNC(=O)CON MCULE-6451598359 [1,1,0,0,0,0|2,0,0]=4 1275 B6R0.1 CNC(=O)CON MCULE-8743298594 [1,1,0,0,0,0|2,0,0]=4 1276 B6R0.1 CNCC(=O)NC MCULE-4579550577 [1,1,0,0,0,0|2,0,0]=4 1277 B6R0.1 CNCC(=O)NC MCULE-7833395637 [1,1,0,0,0,0|2,0,0]=4 1278 B6R0.1 CNCC(=O)NN MCULE-8639164023 [1,1,0,0,0,0|2,0,0]=4 1279 B6R0.1 CNCC(=O)OC MCULE-1667683926 [1,1,0,0,0,0|2,0,0]=4 1280 B6R0.1 CNCC(=O)OC MCULE-5530863658 [1,1,0,0,0,0|2,0,0]=4 1281 B6R0.1 COC(=O)/C=C/Br MCULE-8282646495 [1,1,0,0,0,0|1,0,1]=4 1282 B6R0.1 COC(=O)/C=C/I MCULE-2652779390 [1,1,0,0,0,0|1,0,1]=4 1283 B6R0.1 COC(=O)/C=C\Br MCULE-8147758029 [1,1,0,0,0,0|1,0,1]=4 1284 B6R0.1 COC(=O)/C=C\I MCULE-9091408550 [1,1,0,0,0,0|1,0,1]=4 1285 B6R0.1 COC(=O)C=CBr MCULE-6878439912 [1,1,0,0,0,0|1,0,1]=4 1286 B6R0.1 COC(=O)C=CCl MCULE-6895925134 [1,1,0,0,0,0|1,0,1]=4 1287 B6R0.1 COC(=O)C=CI MCULE-1616048599 [1,1,0,0,0,0|1,0,1]=4 1288 B6R0.1 COC(=O)C=CN MCULE-4685220707 [1,1,0,0,0,0|0,0,1]=3 1289 B6R0.1 COC(=O)CC#N MCULE-2699345092 [1,1,0,0,0,0|0,0,2]=4 1290 B6R0.1 COC(=O)CC=O MCULE-6624474559 [1,1,0,0,0,0|0,0,0]=2 1291 B6R0.1 COC(=O)CCBr MCULE-3565567444 [1,1,0,0,0,0|1,0,1]=4 1292 B6R0.1 COC(=O)CCCl MCULE-5034007224 [1,1,0,0,0,0|1,0,1]=4 1293 B6R0.1 COC(=O)CCI MCULE-5984806612 [1,1,0,0,0,0|1,0,1]=4 1294 B6R0.1 COC(=O)CCN MCULE-2306060188 [1,1,0,0,0,0|0,0,1]=3 1295 B6R0.1 COC(=O)CCN MCULE-8245275833 [1,1,0,0,0,0|0,0,1]=3 1296 B6R0.1 COC(=O)CCO MCULE-8538834260 [1,1,0,0,0,0|0,0,2]=4 1297 B6R0.1 COC(=O)CCS MCULE-1695345183 [1,1,0,0,0,0|0,1,1]=4 1298 B6R0.1 COC(=O)CNN MCULE-3287579794 [1,1,0,0,0,0|1,0,0]=3 1299 B6R0.1 COC(=O)CNN MCULE-3838874166 [1,1,0,0,0,0|1,0,0]=3 1300 B6R0.1 COC(=O)CON MCULE-4799038238 [1,1,0,0,0,0|1,0,0]=3 1301 B6R0.1 COC(=O)CSC MCULE-6735536033 [1,1,0,0,0,0|2,0,0]=4 1302 B6R0.1 COC(=O)NC=O MCULE-9852632340 [1,1,0,0,0,0|1,0,0]=3 1303 B6R0.1 COC(C)CC=O MCULE-7243333697 [1,1,0,0,0,0|1,0,1]=4 1304 B6R0.1 COCC(=O)NN MCULE-4127487886 [1,1,0,0,0,0|2,0,0]=4 1305 B6R0.1 COCC(=O)OC MCULE-8337685268 [1,1,0,0,0,0|2,0,0]=4 1306 B6R0.1 CSCC(=O)NN MCULE-8151954663 [1,1,0,0,0,0|2,0,0]=4 1307 B6R0.1 N#CCC(=O)NN MCULE-9203133961 [1,1,0,0,0,0|1,0,1]=4 1308 B6R0.1 N/C(=N\O)/CCO MCULE-1794050637 [1,1,0,0,0,0|0,0,2]=4 1309 B6R0.1 NCC/C(=N/O)/N MCULE-6349866821 [1,1,0,0,0,0|1,0,1]=4 1310 B6R0.1 NCCC(=O)CN MCULE-3906468943 [1,1,0,0,0,0|1,0,1]=4 1311 B6R0.1 NCCC(=O)CN MCULE-9593243702 [1,1,0,0,0,0|1,0,1]=4 1312 B6R0.1 NNC(=O)CCO MCULE-6184351353 [1,1,0,0,0,0|0,0,1]=3 1313 B6R0.1 NNC(=O)CCS MCULE-9322963076 [1,1,0,0,0,0|0,1,1]=4 1314 B6R0.1 O=C(CCCl)NO MCULE-5569658108 [1,1,0,0,0,0|1,0,1]=4 1315 B6R0.1 O=CC[C@H](O)CCl MCULE-6385696769 [1,1,0,0,0,0|1,0,1]=4 1316 B6R0.3 C#CC(O)C(=O)O MCULE-4214673632 [1,1,0,0,0,0|1,0,1]=4 1317 B6R0.3 C(C)(OC)C(=O)O MCULE-4852209230 [1,1,0,0,0,0|2,0,0]=4 1318 B6R0.3 C(N)(CO)C(=O)N MCULE-5512645571 [1,1,0,0,0,0|0,0,1]=3 1319 B6R0.3 C(N)(CO)C(=O)N MCULE-5852943337 [1,1,0,0,0,0|0,0,1]=3 1320 B6R0.3 C/C=C(/C)\C(=O)O MCULE-2116066534 [1,1,0,0,0,0|1,0,1]=4 1321 B6R0.3 C/C=C(\Br)/C(=O)O MCULE-5940308548 [1,1,0,0,0,0|1,0,1]=4 1322 B6R0.3 C/C=C(\C)/C(=O)O MCULE-4890719796 [1,1,0,0,0,0|1,0,1]=4 1323 B6R0.3 C/C=C(\O)/C(=O)O MCULE-9596699660 [1,1,0,0,0,0|1,0,1]=4 1324 B6R0.3 C=CC(=O)C(=O)O MCULE-9816982424 [1,1,0,0,0,0|1,0,1]=4 1325 B6R0.3 C=CC(C)C(=O)O MCULE-7280145889 [1,1,0,0,0,0|1,0,0]=3 1326 B6R0.3 C=CC(N)C(=O)O MCULE-2000511750 [1,1,0,0,0,0|1,0,0]=3 1327 B6R0.3 C=CC(N)C(=O)O MCULE-7504415267 [1,1,0,0,0,0|1,0,0]=3 1328 B6R0.3 C=CC(N)C(=O)O MCULE-9012490000 [1,1,0,0,0,0|1,0,0]=3 1329 B6R0.3 C=CC(N)C(=O)O MCULE-9978294266 [1,1,0,0,0,0|1,0,0]=3 1330 B6R0.3 C=CC(O)C(=O)O MCULE-3847595710 [1,1,0,0,0,0|1,0,0]=3 1331 B6R0.3 C=C[C@@H](C)C(=O)O MCULE-9719548038 [1,1,0,0,0,0|1,0,0]=3 1332 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-3678761806 [1,1,0,0,0,0|1,0,0]=3 1333 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-6682447306 [1,1,0,0,0,0|1,0,0]=3 1334 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-6779191781 [1,1,0,0,0,0|1,0,0]=3 1335 B6R0.3 C=C[C@H](C)C(=O)O MCULE-1694697840 [1,1,0,0,0,0|1,0,0]=3 1336 B6R0.3 C=C[C@H](C)C(=O)O MCULE-2601438258 [1,1,0,0,0,0|1,0,0]=3 1337 B6R0.3 C=C[C@H](C)C(=O)O MCULE-6098133430 [1,1,0,0,0,0|1,0,0]=3 1338 B6R0.3 C=C[C@H](N)C(=O)O MCULE-2657488498 [1,1,0,0,0,0|1,0,0]=3 1339 B6R0.3 C=C[C@H](N)C(=O)O MCULE-5103456570 [1,1,0,0,0,0|1,0,0]=3 1340 B6R0.3 C=C[C@H](N)C(=O)O MCULE-5936124947 [1,1,0,0,0,0|1,0,0]=3 1341 B6R0.3 C=C[C@H](N)C(=O)O MCULE-9631686254 [1,1,0,0,0,0|1,0,0]=3 1342 B6R0.3 CC(=CBr)C(=O)O MCULE-3682516046 [1,1,0,0,0,0|1,0,1]=4 1343 B6R0.3 CC(=O)C(Br)C=O MCULE-6904531970 [1,1,0,0,0,0|1,0,0]=3 1344 B6R0.3 CC(=O)C(C)C=O MCULE-7133682970 [1,1,0,0,0,0|1,0,0]=3 1345 B6R0.3 CC(=O)C(C)CO MCULE-9026658672 [1,1,0,0,0,0|1,0,1]=4 1346 B6R0.3 CC(=O)C(N)CO MCULE-4063057020 [1,1,0,0,0,0|1,0,1]=4 1347 B6R0.3 CC(=O)[C@@H](N)CO MCULE-9046372356 [1,1,0,0,0,0|1,0,1]=4 1348 B6R0.3 CC(C#N)C(=O)N MCULE-2138676966 [1,1,0,0,0,0|1,0,1]=4 1349 B6R0.3 CC(C#N)C(=O)O MCULE-3302580561 [1,1,0,0,0,0|0,0,2]=4 1350 B6R0.3 CC(CBr)C(=O)O MCULE-1430003780 [1,1,0,0,0,0|1,0,1]=4 1351 B6R0.3 CC(CF)C(=O)O MCULE-7390028409 [1,1,0,0,0,0|1,0,1]=4 1352 B6R0.3 CC(CN)C(=O)O MCULE-5485986433 [1,1,0,0,0,0|0,0,1]=3 1353 B6R0.3 CC(CN)C(=O)O MCULE-5638884438 [1,1,0,0,0,0|0,0,1]=3 1354 B6R0.3 CC(CO)C(=O)O MCULE-2772009804 [1,1,0,0,0,0|0,0,2]=4 1355 B6R0.3 CC(CO)C(=O)[O-] MCULE-6956620176 [1,1,0,0,0,0|1,0,1]=4 1356 B6R0.3 CC(CS)C(=O)O MCULE-9982386135 [1,1,0,0,0,0|0,1,1]=4 1357 B6R0.3 CC(ON)C(=O)O MCULE-1969235976 [1,1,0,0,0,0|1,0,0]=3 1358 B6R0.3 CC(ON)C(=O)O MCULE-4318537884 [1,1,0,0,0,0|1,0,0]=3 1359 B6R0.3 CC(ON)C(=O)O MCULE-4455753863 [1,1,0,0,0,0|1,0,0]=3 1360 B6R0.3 CC(ON)C(=O)O MCULE-8893009712 [1,1,0,0,0,0|1,0,0]=3 1361 B6R0.3 CC=C(Br)C(=O)O MCULE-5368794596 [1,1,0,0,0,0|1,0,1]=4 1362 B6R0.3 CC=C(C)C(=O)O MCULE-2390677360 [1,1,0,0,0,0|1,0,1]=4 1363 B6R0.3 CC=C(Cl)C(=O)O MCULE-5827690088 [1,1,0,0,0,0|1,0,1]=4 1364 B6R0.3 CC=C(F)C(=O)O MCULE-5053310707 [1,1,0,0,0,0|1,0,1]=4 1365 B6R0.3 CC=C(O)C(=O)O MCULE-7886990963 [1,1,0,0,0,0|1,0,1]=4 1366 B6R0.3 CCC(Br)C(=O)N MCULE-5823441392 [1,1,0,0,0,0|1,0,1]=4 1367 B6R0.3 CCC(Br)C(=O)O MCULE-4214463814 [1,1,0,0,0,0|1,0,1]=4 1368 B6R0.3 CCC(C)C(=O)N MCULE-9298244547 [1,1,0,0,0,0|1,0,1]=4 1369 B6R0.3 CCC(C)C(=O)O MCULE-5615925204 [1,1,0,0,0,0|1,0,1]=4 1370 B6R0.3 CCC(C)C(=O)O MCULE-7434436828 [1,1,0,0,0,0|1,0,1]=4 1371 B6R0.3 CCC(Cl)C(=O)N MCULE-7941338456 [1,1,0,0,0,0|1,0,1]=4 1372 B6R0.3 CCC(Cl)C(=O)O MCULE-6325944516 [1,1,0,0,0,0|1,0,1]=4 1373 B6R0.3 CCC(F)C(=O)O MCULE-3947852767 [1,1,0,0,0,0|1,0,1]=4 1374 B6R0.3 CCC(N)C(=O)N MCULE-2662930657 [1,1,0,0,0,0|1,0,1]=4 1375 B6R0.3 CCC(N)C(=O)N MCULE-5136248706 [1,1,0,0,0,0|1,0,1]=4 1376 B6R0.3 CCC(N)C(=O)N MCULE-8876361903 [1,1,0,0,0,0|1,0,1]=4 1377 B6R0.3 CCC(N)C(=O)N MCULE-9704177556 [1,1,0,0,0,0|1,0,1]=4 1378 B6R0.3 CCC(N)C(=O)O MCULE-2132009026 [1,1,0,0,0,0|1,0,1]=4 1379 B6R0.3 CCC(N)C(=O)O MCULE-7397078475 [1,1,0,0,0,0|1,0,1]=4 1380 B6R0.3 CCC(N)C(=O)O MCULE-8052711911 [1,1,0,0,0,0|1,0,1]=4 1381 B6R0.3 CCC(N)C(=O)O MCULE-9815187967 [1,1,0,0,0,0|1,0,1]=4 1382 B6R0.3 CCC(O)C(=O)N MCULE-4290959224 [1,1,0,0,0,0|1,0,1]=4 1383 B6R0.3 CCC(O)C(=O)O MCULE-1958918710 [1,1,0,0,0,0|1,0,1]=4 1384 B6R0.3 CCC(O)C(=O)O MCULE-2006594131 [1,1,0,0,0,0|1,0,1]=4 1385 B6R0.3 CCC(S)C(=O)O MCULE-9887370695 [1,1,0,0,0,0|1,0,1]=4 1386 B6R0.3 CC[C@@H](Br)C(=O)O MCULE-3890418201 [1,1,0,0,0,0|1,0,1]=4 1387 B6R0.3 CC[C@@H](Br)C(=O)O MCULE-5910145154 [1,1,0,0,0,0|1,0,1]=4 1388 B6R0.3 CC[C@@H](C)C(=O)N MCULE-3083676357 [1,1,0,0,0,0|1,0,1]=4 1389 B6R0.3 CC[C@@H](C)C(=O)N MCULE-4584753474 [1,1,0,0,0,0|1,0,1]=4 1390 B6R0.3 CC[C@@H](C)C(=O)O MCULE-4225604875 [1,1,0,0,0,0|1,0,1]=4 1391 B6R0.3 CC[C@@H](C)C(=O)O MCULE-6581991788 [1,1,0,0,0,0|1,0,1]=4 1392 B6R0.3 CC[C@@H](Cl)C(=O)O MCULE-2496023102 [1,1,0,0,0,0|1,0,1]=4 1393 B6R0.3 CC[C@@H](Cl)C(=O)O MCULE-9719915588 [1,1,0,0,0,0|1,0,1]=4 1394 B6R0.3 CC[C@@H](N)C(=O)N MCULE-2790345262 [1,1,0,0,0,0|1,0,1]=4 1395 B6R0.3 CC[C@@H](N)C(=O)N MCULE-3501293124 [1,1,0,0,0,0|1,0,1]=4 1396 B6R0.3 CC[C@@H](N)C(=O)N MCULE-4913204798 [1,1,0,0,0,0|1,0,1]=4 1397 B6R0.3 CC[C@@H](N)C(=O)N MCULE-5005994513 [1,1,0,0,0,0|1,0,1]=4 1398 B6R0.3 CC[C@@H](N)C(=O)O MCULE-3824768448 [1,1,0,0,0,0|1,0,1]=4 1399 B6R0.3 CC[C@@H](N)C(=O)O MCULE-7078248621 [1,1,0,0,0,0|1,0,1]=4 1400 B6R0.3 CC[C@@H](N)C(=O)O MCULE-8856363896 [1,1,0,0,0,0|1,0,1]=4 1401 B6R0.3 CC[C@@H](N)C(=O)O MCULE-9662763952 [1,1,0,0,0,0|1,0,1]=4 1402 B6R0.3 CC[C@@H](O)C(=O)O MCULE-8118182602 [1,1,0,0,0,0|1,0,1]=4 1403 B6R0.3 CC[C@@H](O)C(=O)O MCULE-9744322272 [1,1,0,0,0,0|1,0,1]=4 1404 B6R0.3 CC[C@H](Br)C(=O)O MCULE-2859668715 [1,1,0,0,0,0|1,0,1]=4 1405 B6R0.3 CC[C@H](Br)C(=O)O MCULE-9989821197 [1,1,0,0,0,0|1,0,1]=4 1406 B6R0.3 CC[C@H](C)C(=O)O MCULE-5170193492 [1,1,0,0,0,0|1,0,1]=4 1407 B6R0.3 CC[C@H](C)C(=O)O MCULE-6595467867 [1,1,0,0,0,0|1,0,1]=4 1408 B6R0.3 CC[C@H](Cl)C(=O)O MCULE-8870390851 [1,1,0,0,0,0|1,0,1]=4 1409 B6R0.3 CC[C@H](N)C(=O)N MCULE-1934671300 [1,1,0,0,0,0|1,0,1]=4 1410 B6R0.3 CC[C@H](N)C(=O)N MCULE-3034729287 [1,1,0,0,0,0|1,0,1]=4 1411 B6R0.3 CC[C@H](N)C(=O)N MCULE-6902117665 [1,1,0,0,0,0|1,0,1]=4 1412 B6R0.3 CC[C@H](N)C(=O)N MCULE-9419812665 [1,1,0,0,0,0|1,0,1]=4 1413 B6R0.3 CC[C@H](N)C(=O)O MCULE-3597025691 [1,1,0,0,0,0|1,0,1]=4 1414 B6R0.3 CC[C@H](N)C(=O)O MCULE-5445914617 [1,1,0,0,0,0|1,0,1]=4 1415 B6R0.3 CC[C@H](N)C(=O)O MCULE-7781302707 [1,1,0,0,0,0|1,0,1]=4 1416 B6R0.3 CC[C@H](N)C(=O)O MCULE-8446392822 [1,1,0,0,0,0|1,0,1]=4 1417 B6R0.3 CC[C@H](O)C(=O)O MCULE-4284991317 [1,1,0,0,0,0|1,0,1]=4 1418 B6R0.3 CC[C@H](O)C(=O)O MCULE-6782147427 [1,1,0,0,0,0|1,0,1]=4 1419 B6R0.3 CN(N=O)C(=O)N MCULE-7683488639 [1,1,0,0,0,0|2,0,0]=4 1420 B6R0.3 CNC(C)C(=O)N MCULE-1426280147 [1,1,0,0,0,0|2,0,0]=4 1421 B6R0.3 CNC(C)C(=O)N MCULE-2344663168 [1,1,0,0,0,0|2,0,0]=4 1422 B6R0.3 CNC(C)C(=O)O MCULE-4088114502 [1,1,0,0,0,0|2,0,0]=4 1423 B6R0.3 CNC(C)C(=O)O MCULE-7300169560 [1,1,0,0,0,0|2,0,0]=4 1424 B6R0.3 CNC(C)C(=O)O MCULE-8623956615 [1,1,0,0,0,0|2,0,0]=4 1425 B6R0.3 CN[C@@H](C)C(=O)N MCULE-3316985921 [1,1,0,0,0,0|2,0,0]=4 1426 B6R0.3 CN[C@@H](C)C(=O)O MCULE-2079366664 [1,1,0,0,0,0|2,0,0]=4 1427 B6R0.3 CN[C@@H](C)C(=O)O MCULE-4072364377 [1,1,0,0,0,0|2,0,0]=4 1428 B6R0.3 CN[C@@H](C)C(=O)O MCULE-4518259073 [1,1,0,0,0,0|2,0,0]=4 1429 B6R0.3 CN[C@@H](C)C(=O)O MCULE-8200069325 [1,1,0,0,0,0|2,0,0]=4 1430 B6R0.3 CN[C@H](C)C(=O)O MCULE-2777429698 [1,1,0,0,0,0|2,0,0]=4 1431 B6R0.3 CN[C@H](C)C(=O)O MCULE-7282734154 [1,1,0,0,0,0|2,0,0]=4 1432 B6R0.3 CN[C@H](C)C(=O)O MCULE-9709122579 [1,1,0,0,0,0|2,0,0]=4 1433 B6R0.3 COC(Br)C(=O)O MCULE-9018983840 [1,1,0,0,0,0|2,0,0]=4 1434 B6R0.3 COC(C)C(=O)N MCULE-5955494048 [1,1,0,0,0,0|2,0,0]=4 1435 B6R0.3 COC(C)C(=O)O MCULE-8913745653 [1,1,0,0,0,0|2,0,0]=4 1436 B6R0.3 CO[C@@H](C)C(=O)O MCULE-7456458246 [1,1,0,0,0,0|2,0,0]=4 1437 B6R0.3 CO[C@@H](C)C(=O)O MCULE-8108977564 [1,1,0,0,0,0|2,0,0]=4 1438 B6R0.3 CO[C@H](C)C(=O)O MCULE-3078851913 [1,1,0,0,0,0|2,0,0]=4 1439 B6R0.3 CO[C@H](C)C(=O)O MCULE-5370950850 [1,1,0,0,0,0|2,0,0]=4 1440 B6R0.3 CSC(C)C(=O)O MCULE-8062487948 [1,1,0,0,0,0|2,0,0]=4 1441 B6R0.3 C[C@@H](CN)C(=O)O MCULE-4438181090 [1,1,0,0,0,0|0,0,1]=3 1442 B6R0.3 C[C@@H](CN)C(=O)O MCULE-4599481344 [1,1,0,0,0,0|0,0,1]=3 1443 B6R0.3 C[C@@H](CN)C(=O)O MCULE-5826933618 [1,1,0,0,0,0|0,0,1]=3 1444 B6R0.3 C[C@@H](CN)C(=O)O MCULE-5914856504 [1,1,0,0,0,0|0,0,1]=3 1445 B6R0.3 C[C@@H](CO)C(=O)O MCULE-1381224499 [1,1,0,0,0,0|0,0,2]=4 1446 B6R0.3 C[C@@H](CO)C(=O)O MCULE-4599417419 [1,1,0,0,0,0|0,0,2]=4 1447 B6R0.3 C[C@@H](ON)C(=O)O MCULE-1538722507 [1,1,0,0,0,0|1,0,0]=3 1448 B6R0.3 C[C@@H](ON)C(=O)O MCULE-3835402446 [1,1,0,0,0,0|1,0,0]=3 1449 B6R0.3 C[C@H](CN)C(=O)O MCULE-3703540023 [1,1,0,0,0,0|0,0,1]=3 1450 B6R0.3 C[C@H](CN)C(=O)O MCULE-5714771083 [1,1,0,0,0,0|0,0,1]=3 1451 B6R0.3 C[C@H](CN)C(=O)O MCULE-9009901306 [1,1,0,0,0,0|0,0,1]=3 1452 B6R0.3 C[C@H](CN)C(=O)O MCULE-9217365463 [1,1,0,0,0,0|0,0,1]=3 1453 B6R0.3 C[C@H](CO)C(=O)O MCULE-7012562122 [1,1,0,0,0,0|0,0,2]=4 1454 B6R0.3 C[C@H](CO)C(=O)O MCULE-9702865885 [1,1,0,0,0,0|0,0,2]=4 1455 B6R0.3 C[C@H](CO)C(=O)[O-] MCULE-5733737039 [1,1,0,0,0,0|1,0,1]=4 1456 B6R0.3 C[C@H](ON)C(=O)O MCULE-3327889540 [1,1,0,0,0,0|1,0,0]=3 1457 B6R0.3 C[C@H](ON)C(=O)O MCULE-4523264650 [1,1,0,0,0,0|1,0,0]=3 1458 B6R0.3 N#CC(Br)C(=O)N MCULE-3091108124 [1,1,0,0,0,0|1,0,1]=4 1459 B6R0.3 N#CC(N)C(=O)N MCULE-3175667831 [1,1,0,0,0,0|1,0,1]=4 1460 B6R0.3 NC(=O)/C(=N/O)/N MCULE-6909019905 [1,1,0,0,0,0|1,0,1]=4 1461 B6R0.3 NC(=O)C(Br)CBr MCULE-3438242131 [1,1,0,0,0,0|1,0,1]=4 1462 B6R0.3 NC(=O)C(Cl)CCl MCULE-9549750186 [1,1,0,0,0,0|1,0,1]=4 1463 B6R0.3 NC(=O)C(N)CO MCULE-4842751232 [1,1,0,0,0,0|0,0,1]=3 1464 B6R0.3 NC(=O)C(N)CO MCULE-6854366147 [1,1,0,0,0,0|0,0,1]=3 1465 B6R0.3 NC(=O)C(N)CS MCULE-3144051628 [1,1,0,0,0,0|0,1,1]=4 1466 B6R0.3 NC(=O)C(N)CS MCULE-7739536595 [1,1,0,0,0,0|0,1,1]=4 1467 B6R0.3 NC(=O)[C@@H](N)CO MCULE-2185844038 [1,1,0,0,0,0|0,0,1]=3 1468 B6R0.3 NC(=O)[C@@H](N)CO MCULE-3623516041 [1,1,0,0,0,0|0,0,1]=3 1469 B6R0.3 NC(=O)[C@@H](N)CO MCULE-6218638108 [1,1,0,0,0,0|0,0,1]=3 1470 B6R0.3 NC(=O)[C@@H](N)CS MCULE-9790378691 [1,1,0,0,0,0|0,1,1]=4 1471 B6R0.3 NC(=O)[C@H](N)CO MCULE-2061645482 [1,1,0,0,0,0|0,0,1]=3 1472 B6R0.3 NC(=O)[C@H](N)CO MCULE-5920366137 [1,1,0,0,0,0|0,0,1]=3 1473 B6R0.3 NC(=O)[C@H](N)CO MCULE-7612340519 [1,1,0,0,0,0|0,0,1]=3 1474 B6R0.3 NC(=O)[C@H](N)CO MCULE-7734326153 [1,1,0,0,0,0|0,0,1]=3 1475 B6R0.3 NC(CCl)C(=O)O MCULE-1601405489 [1,1,0,0,0,0|1,0,1]=4 1476 B6R0.3 NC(CCl)C(=O)O MCULE-3020306643 [1,1,0,0,0,0|1,0,1]=4 1477 B6R0.3 NC(CCl)C(=O)O MCULE-5440349631 [1,1,0,0,0,0|1,0,1]=4 1478 B6R0.3 NC(CF)C(=O)O MCULE-3274339636 [1,1,0,0,0,0|1,0,1]=4 1479 B6R0.3 NC(CO)C(=O)O MCULE-2425237422 [1,1,0,0,0,0|0,0,2]=4 1480 B6R0.3 NC(CO)C(=O)O MCULE-6460387318 [1,1,0,0,0,0|0,0,2]=4 1481 B6R0.3 NC(CS)C(=O)O MCULE-1666411258 [1,1,0,0,0,0|0,1,1]=4 1482 B6R0.3 NC(CS)C(=O)O MCULE-2938329352 [1,1,0,0,0,0|0,1,1]=4 1483 B6R0.3 NC(CS)C(=O)O MCULE-7203902929 [1,1,0,0,0,0|0,1,1]=4 1484 B6R0.3 NC(CS)C(=O)O MCULE-7790846545 [1,1,0,0,0,0|0,1,1]=4 1485 B6R0.3 NCC(Br)C(=O)O MCULE-2289205408 [1,1,0,0,0,0|0,0,1]=3 1486 B6R0.3 NCC(Br)C(=O)O MCULE-9361399143 [1,1,0,0,0,0|0,0,1]=3 1487 B6R0.3 NCC(F)C(=O)O MCULE-5666887061 [1,1,0,0,0,0|0,0,1]=3 1488 B6R0.3 NCC(F)C(=O)O MCULE-6134707533 [1,1,0,0,0,0|0,0,1]=3 1489 B6R0.3 NCC(N)C(=O)O MCULE-1867799207 [1,1,0,0,0,0|0,0,1]=3 1490 B6R0.3 NCC(N)C(=O)O MCULE-4853376364 [1,1,0,0,0,0|0,0,1]=3 1491 B6R0.3 NCC(N)C(=O)O MCULE-7636331821 [1,1,0,0,0,0|0,0,1]=3 1492 B6R0.3 NCC(N)C(=O)O MCULE-7735444546 [1,1,0,0,0,0|0,0,1]=3 1493 B6R0.3 NCC(N)C(=O)O MCULE-9197553017 [1,1,0,0,0,0|0,0,1]=3 1494 B6R0.3 NCC(O)C(=O)N MCULE-1543465850 [1,1,0,0,0,0|1,0,1]=4 1495 B6R0.3 NCC(O)C(=O)N MCULE-9574499203 [1,1,0,0,0,0|1,0,1]=4 1496 B6R0.3 NCC(O)C(=O)O MCULE-2137675488 [1,1,0,0,0,0|0,0,1]=3 1497 B6R0.3 NCC(O)C(=O)O MCULE-3348306437 [1,1,0,0,0,0|0,0,1]=3 1498 B6R0.3 NC[C@@H](F)C(=O)O MCULE-3544959183 [1,1,0,0,0,0|0,0,1]=3 1499 B6R0.3 NC[C@@H](F)C(=O)O MCULE-4122418685 [1,1,0,0,0,0|0,0,1]=3 1500 B6R0.3 NC[C@@H](F)C(=O)O MCULE-8592364466 [1,1,0,0,0,0|0,0,1]=3 1501 B6R0.3 NC[C@@H](F)C(=O)O MCULE-9106826144 [1,1,0,0,0,0|0,0,1]=3 1502 B6R0.3 NC[C@@H](N)C(=O)O MCULE-5363126654 [1,1,0,0,0,0|0,0,1]=3 1503 B6R0.3 NC[C@@H](N)C(=O)O MCULE-8998345978 [1,1,0,0,0,0|0,0,1]=3 1504 B6R0.3 NC[C@@H](N)C(=O)O MCULE-9125384126 [1,1,0,0,0,0|0,0,1]=3 1505 B6R0.3 NC[C@@H](O)C(=O)O MCULE-5922773276 [1,1,0,0,0,0|0,0,1]=3 1506 B6R0.3 NC[C@@H](O)C(=O)O MCULE-8921832932 [1,1,0,0,0,0|0,0,1]=3 1507 B6R0.3 NC[C@H](F)C(=O)O MCULE-2695037152 [1,1,0,0,0,0|0,0,1]=3 1508 B6R0.3 NC[C@H](F)C(=O)O MCULE-4323150722 [1,1,0,0,0,0|0,0,1]=3 1509 B6R0.3 NC[C@H](F)C(=O)O MCULE-6701791437 [1,1,0,0,0,0|0,0,1]=3 1510 B6R0.3 NC[C@H](F)C(=O)O MCULE-7674783008 [1,1,0,0,0,0|0,0,1]=3 1511 B6R0.3 NC[C@H](N)C(=O)O MCULE-1389567062 [1,1,0,0,0,0|0,0,1]=3 1512 B6R0.3 NC[C@H](N)C(=O)O MCULE-1833064192 [1,1,0,0,0,0|0,0,1]=3 1513 B6R0.3 NC[C@H](N)C(=O)O MCULE-2347369254 [1,1,0,0,0,0|0,0,1]=3 1514 B6R0.3 NC[C@H](N)C(=O)O MCULE-2781423323 [1,1,0,0,0,0|0,0,1]=3 1515 B6R0.3 NC[C@H](N)C(=O)O MCULE-6498458695 [1,1,0,0,0,0|0,0,1]=3 1516 B6R0.3 NC[C@H](N)C(=O)O MCULE-8313668715 [1,1,0,0,0,0|0,0,1]=3 1517 B6R0.3 NC[C@H](O)C(=O)O MCULE-5854124012 [1,1,0,0,0,0|0,0,1]=3 1518 B6R0.3 NC[C@H](O)C(=O)O MCULE-7536593166 [1,1,0,0,0,0|0,0,1]=3 1519 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-2896868744 [1,1,0,0,0,0|1,0,1]=4 1520 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-5799339909 [1,1,0,0,0,0|1,0,1]=4 1521 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-7445121230 [1,1,0,0,0,0|1,0,1]=4 1522 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-9137000163 [1,1,0,0,0,0|1,0,1]=4 1523 B6R0.3 N[C@@H](CO)C(=O)O MCULE-4580794842 [1,1,0,0,0,0|0,0,2]=4 1524 B6R0.3 N[C@@H](CO)C(=O)O MCULE-5604658333 [1,1,0,0,0,0|0,0,2]=4 1525 B6R0.3 N[C@@H](CO)C(=O)O MCULE-5884286841 [1,1,0,0,0,0|0,0,2]=4 1526 B6R0.3 N[C@@H](CO)C(=O)O MCULE-6118038121 [1,1,0,0,0,0|0,0,2]=4 1527 B6R0.3 N[C@@H](CS)C(=O)O MCULE-1896679526 [1,1,0,0,0,0|0,1,1]=4 1528 B6R0.3 N[C@@H](CS)C(=O)O MCULE-2206038012 [1,1,0,0,0,0|0,1,1]=4 1529 B6R0.3 N[C@@H](CS)C(=O)O MCULE-6337217524 [1,1,0,0,0,0|0,1,1]=4 1530 B6R0.3 N[C@@H](CS)C(=O)O MCULE-9685479191 [1,1,0,0,0,0|0,1,1]=4 1531 B6R0.3 N[C@H](CCl)C(=O)O MCULE-2647266636 [1,1,0,0,0,0|1,0,1]=4 1532 B6R0.3 N[C@H](CCl)C(=O)O MCULE-7797369596 [1,1,0,0,0,0|1,0,1]=4 1533 B6R0.3 N[C@H](CCl)C(=O)O MCULE-8133148482 [1,1,0,0,0,0|1,0,1]=4 1534 B6R0.3 N[C@H](CCl)C(=O)O MCULE-9324545858 [1,1,0,0,0,0|1,0,1]=4 1535 B6R0.3 N[C@H](CF)C(=O)O MCULE-4766495272 [1,1,0,0,0,0|1,0,1]=4 1536 B6R0.3 N[C@H](CF)C(=O)O MCULE-7679315401 [1,1,0,0,0,0|1,0,1]=4 1537 B6R0.3 N[C@H](CO)C(=O)O MCULE-3271603208 [1,1,0,0,0,0|0,0,2]=4 1538 B6R0.3 N[C@H](CO)C(=O)O MCULE-8560981570 [1,1,0,0,0,0|0,0,2]=4 1539 B6R0.3 N[C@H](CS)C(=O)O MCULE-2137827959 [1,1,0,0,0,0|0,1,1]=4 1540 B6R0.3 N[C@H](CS)C(=O)O MCULE-4521387126 [1,1,0,0,0,0|0,1,1]=4 1541 B6R0.3 N[C@H](CS)C(=O)O MCULE-7201506202 [1,1,0,0,0,0|0,1,1]=4 1542 B6R0.3 N[C@H](CS)C(=O)O MCULE-9147562606 [1,1,0,0,0,0|0,1,1]=4 1543 B6R0.3 O=C(O)/C(=C/Cl)/Cl MCULE-4317518344 [1,1,0,0,0,0|1,0,1]=4 1544 B6R0.3 O=C(O)C(=CCl)Cl MCULE-2693859334 [1,1,0,0,0,0|1,0,1]=4 1545 B6R0.3 O=C(O)C(Br)CBr MCULE-9991448725 [1,1,0,0,0,0|1,0,1]=4 1546 B6R0.3 O=C(O)C(Br)CF MCULE-6577995297 [1,1,0,0,0,0|1,0,1]=4 1547 B6R0.3 O=C(O)C(Br)CO MCULE-9060407295 [1,1,0,0,0,0|0,0,2]=4 1548 B6R0.3 O=C(O)C(Cl)CCl MCULE-4757238565 [1,1,0,0,0,0|1,0,1]=4 1549 B6R0.3 O=C(O)C(Cl)CO MCULE-3671026398 [1,1,0,0,0,0|0,0,2]=4 1550 B6R0.3 O=C(O)C(F)CF MCULE-4323199927 [1,1,0,0,0,0|1,0,1]=4 1551 B6R0.3 O=C(O)C(O)CBr MCULE-2600199692 [1,1,0,0,0,0|1,0,1]=4 1552 B6R0.3 O=C(O)C(O)CCl MCULE-6346810624 [1,1,0,0,0,0|1,0,1]=4 1553 B6R0.3 O=C(O)C(O)CO MCULE-3634533503 [1,1,0,0,0,0|0,0,2]=4 1554 B6R0.3 O=C(O)[C@@H](Br)CO MCULE-4486884639 [1,1,0,0,0,0|0,0,2]=4 1555 B6R0.3 O=C(O)[C@@H](Br)CO MCULE-8586594526 [1,1,0,0,0,0|0,0,2]=4 1556 B6R0.3 O=C(O)[C@@H](O)CCl MCULE-4927034524 [1,1,0,0,0,0|1,0,1]=4 1557 B6R0.3 O=C(O)[C@@H](O)CO MCULE-4917119993 [1,1,0,0,0,0|0,0,2]=4 1558 B6R0.3 O=C(O)[C@@H](O)CO MCULE-7996851129 [1,1,0,0,0,0|0,0,2]=4 1559 B6R0.3 O=C(O)[C@H](Br)CO MCULE-3770944978 [1,1,0,0,0,0|0,0,2]=4 1560 B6R0.3 O=C(O)[C@H](Br)CO MCULE-6926119866 [1,1,0,0,0,0|0,0,2]=4 1561 B6R0.3 O=C(O)[C@H](O)CF MCULE-4453713074 [1,1,0,0,0,0|1,0,1]=4 1562 B6R0.3 O=C([O-])[C@@H](O)CO MCULE-4498291090 [1,1,0,0,0,0|1,0,1]=4 1563 B6R0.3 [C@@H](N)(C=C)C(=O)O MCULE-9406839633 [1,1,0,0,0,0|1,0,0]=3 1564 B6R0.3 [C@@H](N)(CN)C(=O)O MCULE-2844054083 [1,1,0,0,0,0|0,0,1]=3 1565 B6R0.3 [C@H](C)(NC)C(=O)O MCULE-3677465746 [1,1,0,0,0,0|2,0,0]=4 1566 B6R0.3 [C@H](N)(CO)C(=O)N MCULE-2792784400 [1,1,0,0,0,0|0,0,1]=3 1567 B6R0.3 [C@H](S)(CC)C(=O)O MCULE-4267293279 [1,1,0,0,0,0|1,0,1]=4 1568 B6R0.3 [SeH]C[C@H](N)C(=O)O MCULE-8205075370 [1,1,0,0,0,0|0,1,1]=4 1569 B6R0.4 C#CCCC(=O)N MCULE-4490482235 [1,1,0,0,0,0|1,0,1]=4 1570 B6R0.4 C#CCCC(=O)O MCULE-6669146060 [1,1,0,0,0,0|1,0,1]=4 1571 B6R0.4 C#CCNC(=O)N MCULE-4499144419 [1,1,0,0,0,0|1,0,1]=4 1572 B6R0.4 C#CCOC(=O)N MCULE-9698208346 [1,1,0,0,0,0|1,0,1]=4 1573 B6R0.4 C/C=C/CC(=O)Cl MCULE-5377125313 [1,1,0,0,0,0|2,0,0]=4 1574 B6R0.4 C/C=C/CC(=O)N MCULE-1942934157 [1,1,0,0,0,0|1,0,0]=3 1575 B6R0.4 C/C=C/CC(=O)O MCULE-4626577048 [1,1,0,0,0,0|1,0,0]=3 1576 B6R0.4 C/C=N/NC(=O)N MCULE-5855402964 [1,1,0,0,0,0|2,0,0]=4 1577 B6R0.4 C=C/C=C/C(=O)O MCULE-7975593411 [1,1,0,0,0,0|1,0,1]=4 1578 B6R0.4 C=C=CCC(=O)O MCULE-2611659307 [1,1,0,0,0,0|1,0,0]=3 1579 B6R0.4 C=CC=CC(=O)O MCULE-5189540617 [1,1,0,0,0,0|1,0,1]=4 1580 B6R0.4 C=CCCC(=N)N MCULE-6900789687 [1,1,0,0,0,0|2,0,0]=4 1581 B6R0.4 C=CCCC(=N)N MCULE-8560021860 [1,1,0,0,0,0|2,0,0]=4 1582 B6R0.4 C=CCCC(=O)C MCULE-9598399930 [1,1,0,0,0,0|2,0,0]=4 1583 B6R0.4 C=CCCC(=O)Cl MCULE-7378353157 [1,1,0,0,0,0|2,0,0]=4 1584 B6R0.4 C=CCCC(=O)N MCULE-7202462484 [1,1,0,0,0,0|1,0,0]=3 1585 B6R0.4 C=CCCC(=O)O MCULE-6221951425 [1,1,0,0,0,0|1,0,0]=3 1586 B6R0.4 C=CCNC(=O)C MCULE-7903624915 [1,1,0,0,0,0|2,0,0]=4 1587 B6R0.4 C=CCNC(=O)N MCULE-1210131291 [1,1,0,0,0,0|1,0,0]=3 1588 B6R0.4 C=CCNC(=S)N MCULE-4099442157 [1,1,0,0,0,0|1,1,0]=4 1589 B6R0.4 C=CCOC(=O)C MCULE-9991130828 [1,1,0,0,0,0|2,0,0]=4 1590 B6R0.4 C=CCOC(=O)Cl MCULE-3513251417 [1,1,0,0,0,0|2,0,0]=4 1591 B6R0.4 C=CCOC(=O)N MCULE-4119124558 [1,1,0,0,0,0|1,0,0]=3 1592 B6R0.4 C=CCSC(=N)N MCULE-8236628420 [1,1,0,0,0,0|2,0,0]=4 1593 B6R0.4 C=CCSC(=[NH2+])N MCULE-7174450469 [1,1,0,0,0,0|2,0,0]=4 1594 B6R0.4 C=CNCC(=O)O MCULE-5142273921 [1,1,0,0,0,0|1,0,0]=3 1595 B6R0.4 CC#CCC(=O)O MCULE-8576178825 [1,1,0,0,0,0|1,0,1]=4 1596 B6R0.4 CC(=O)CCC=O MCULE-4767690464 [1,1,0,0,0,0|1,0,0]=3 1597 B6R0.4 CC(=O)CCCO MCULE-1335342150 [1,1,0,0,0,0|1,0,1]=4 1598 B6R0.4 CC(=O)NCCN MCULE-2230084818 [1,1,0,0,0,0|1,0,1]=4 1599 B6R0.4 CC(=O)NCCO MCULE-5968518415 [1,1,0,0,0,0|1,0,1]=4 1600 B6R0.4 CC(=O)OCCN MCULE-4530529900 [1,1,0,0,0,0|1,0,1]=4 1601 B6R0.4 CC(=O)OCCN MCULE-6854340494 [1,1,0,0,0,0|1,0,1]=4 1602 B6R0.4 CC(=O)OCCO MCULE-1251660436 [1,1,0,0,0,0|1,0,1]=4 1603 B6R0.4 CC(=O)SCCN MCULE-3819903256 [1,1,0,0,0,0|1,0,1]=4 1604 B6R0.4 CC(=O)SCCN MCULE-4872130470 [1,1,0,0,0,0|1,0,1]=4 1605 B6R0.4 CC(=O)SCCN MCULE-7084821345 [1,1,0,0,0,0|1,0,1]=4 1606 B6R0.4 CC/C=C/C(=O)O MCULE-4888215476 [1,1,0,0,0,0|1,0,1]=4 1607 B6R0.4 CC=CCC(=O)O MCULE-9174714653 [1,1,0,0,0,0|1,0,0]=3 1608 B6R0.4 CC=NNC(=O)N MCULE-3878774235 [1,1,0,0,0,0|2,0,0]=4 1609 B6R0.4 CCC=CC(=O)O MCULE-3920494238 [1,1,0,0,0,0|1,0,1]=4 1610 B6R0.4 CCCCC(=O)N MCULE-6419483436 [1,1,0,0,0,0|1,0,1]=4 1611 B6R0.4 CCCCC(=O)O MCULE-2333640078 [1,1,0,0,0,0|1,0,1]=4 1612 B6R0.4 CCCNC(=O)N MCULE-8528844765 [1,1,0,0,0,0|1,0,1]=4 1613 B6R0.4 CCCOC(=O)N MCULE-2760622567 [1,1,0,0,0,0|1,0,1]=4 1614 B6R0.4 CCNCC(=O)N MCULE-1787248899 [1,1,0,0,0,0|1,0,1]=4 1615 B6R0.4 CCNCC(=O)N MCULE-3821700273 [1,1,0,0,0,0|1,0,1]=4 1616 B6R0.4 CCNCC(=O)O MCULE-5989480216 [1,1,0,0,0,0|1,0,1]=4 1617 B6R0.4 CCNCC(=O)O MCULE-8087863397 [1,1,0,0,0,0|1,0,1]=4 1618 B6R0.4 CCOCC(=O)O MCULE-1726530898 [1,1,0,0,0,0|1,0,1]=4 1619 B6R0.4 CCSCC(=O)O MCULE-7471335718 [1,1,0,0,0,0|1,0,1]=4 1620 B6R0.4 CNCCC(=O)N MCULE-1118876220 [1,1,0,0,0,0|1,0,1]=4 1621 B6R0.4 CNCCC(=O)N MCULE-6679713144 [1,1,0,0,0,0|1,0,1]=4 1622 B6R0.4 CNCCC(=O)O MCULE-3627988097 [1,1,0,0,0,0|0,0,1]=3 1623 B6R0.4 CNCCC(=O)O MCULE-9858204248 [1,1,0,0,0,0|0,0,1]=3 1624 B6R0.4 CO/C=C/C(=O)C MCULE-1215649803 [1,1,0,0,0,0|1,0,1]=4 1625 B6R0.4 CO/C=C/C(=O)O MCULE-3681049176 [1,1,0,0,0,0|0,0,2]=4 1626 B6R0.4 COC=CC(=O)C MCULE-4868833764 [1,1,0,0,0,0|1,0,1]=4 1627 B6R0.4 COC=CC(=O)Cl MCULE-4966577139 [1,1,0,0,0,0|1,0,1]=4 1628 B6R0.4 COC=CC(=O)O MCULE-4252899122 [1,1,0,0,0,0|0,0,2]=4 1629 B6R0.4 COCCC(=N)N MCULE-8118559492 [1,1,0,0,0,0|1,0,1]=4 1630 B6R0.4 COCCC(=N)N MCULE-9000138086 [1,1,0,0,0,0|1,0,1]=4 1631 B6R0.4 COCCC(=O)C MCULE-5939812376 [1,1,0,0,0,0|1,0,1]=4 1632 B6R0.4 COCCC(=O)Cl MCULE-9454266286 [1,1,0,0,0,0|1,0,1]=4 1633 B6R0.4 COCCC(=O)N MCULE-7556483675 [1,1,0,0,0,0|0,0,1]=3 1634 B6R0.4 COCCC(=O)O MCULE-3436347115 [1,1,0,0,0,0|0,0,2]=4 1635 B6R0.4 COCNC(=O)N MCULE-8367032240 [1,1,0,0,0,0|1,0,1]=4 1636 B6R0.4 CSCCC(=O)N MCULE-7105035733 [1,1,0,0,0,0|0,1,1]=4 1637 B6R0.4 CSCCC(=O)O MCULE-9550032941 [1,1,0,0,0,0|0,1,1]=4 1638 B6R0.4 CSSCC(=O)O MCULE-5829510166 [1,1,0,0,0,0|1,1,0]=4 1639 B6R0.4 N#CC=CC(=O)O MCULE-9790502930 [1,1,0,0,0,0|0,0,2]=4 1640 B6R0.4 N#CCCC(=O)O MCULE-3165189228 [1,1,0,0,0,0|0,0,2]=4 1641 B6R0.4 N#CCNC(=O)N MCULE-9927791118 [1,1,0,0,0,0|1,0,1]=4 1642 B6R0.4 N#C[Se]CC(=O)O MCULE-1382907788 [1,1,0,0,0,0|0,0,2]=4 1643 B6R0.4 N#N=NCC(=O)N MCULE-8839477322 [1,1,0,0,0,0|2,0,0]=4 1644 B6R0.4 N#N=NCC(=O)O MCULE-3031425162 [1,1,0,0,0,0|1,0,1]=4 1645 B6R0.4 N/N=C/NC(=O)N MCULE-6272806279 [1,1,0,0,0,0|2,0,0]=4 1646 B6R0.4 N/N=C/NC(=O)N MCULE-7518775080 [1,1,0,0,0,0|2,0,0]=4 1647 B6R0.4 N=C(N)NCCO MCULE-5114367892 [1,1,0,0,0,0|1,0,1]=4 1648 B6R0.4 N=C(N)NCCO MCULE-6389092248 [1,1,0,0,0,0|1,0,1]=4 1649 B6R0.4 N=C(N)SCCO MCULE-5563309692 [1,1,0,0,0,0|1,0,1]=4 1650 B6R0.4 N=C(N)SCCO MCULE-5671847690 [1,1,0,0,0,0|1,0,1]=4 1651 B6R0.4 NC(=NCCO)N MCULE-5043697998 [1,1,0,0,0,0|1,0,1]=4 1652 B6R0.4 NC(=O)CCCCl MCULE-2774705212 [1,1,0,0,0,0|1,0,1]=4 1653 B6R0.4 NC(=O)CCCO MCULE-3779341561 [1,1,0,0,0,0|0,0,1]=3 1654 B6R0.4 NC(=O)CN=C=S MCULE-1111706944 [1,1,0,0,0,0|0,1,1]=4 1655 B6R0.4 NC(=O)NCCCl MCULE-6117142945 [1,1,0,0,0,0|1,0,1]=4 1656 B6R0.4 NC(=O)NCCF MCULE-9526714989 [1,1,0,0,0,0|1,0,1]=4 1657 B6R0.4 NC(=O)NCCO MCULE-2353513655 [1,1,0,0,0,0|0,0,1]=3 1658 B6R0.4 NC(=O)OCCCl MCULE-4259077420 [1,1,0,0,0,0|1,0,1]=4 1659 B6R0.4 NC(=O)OCCO MCULE-7565460845 [1,1,0,0,0,0|0,0,1]=3 1660 B6R0.4 NC(=S)CCCO MCULE-8951145487 [1,1,0,0,0,0|0,1,1]=4 1661 B6R0.4 NC(=S)NCCO MCULE-9343742573 [1,1,0,0,0,0|0,1,1]=4 1662 B6R0.4 NC(=S)NNC=O MCULE-5309261345 [1,1,0,0,0,0|1,1,0]=4 1663 B6R0.4 NC/C=C/C(=O)O MCULE-1249244912 [1,1,0,0,0,0|0,0,1]=3 1664 B6R0.4 NCC#CC(=O)O MCULE-8511125702 [1,1,0,0,0,0|0,0,2]=4 1665 B6R0.4 NCC=CC(=O)O MCULE-3049811576 [1,1,0,0,0,0|0,0,1]=3 1666 B6R0.4 NCC=CC(=O)O MCULE-5171717036 [1,1,0,0,0,0|0,0,1]=3 1667 B6R0.4 NCCCC(=O)Cl MCULE-1312882775 [1,1,0,0,0,0|1,0,1]=4 1668 B6R0.4 NCCCC(=O)Cl MCULE-6405362906 [1,1,0,0,0,0|1,0,1]=4 1669 B6R0.4 NCCCC(=O)N MCULE-8039142092 [1,1,0,0,0,0|1,0,1]=4 1670 B6R0.4 NCCCC(=O)N MCULE-8262250872 [1,1,0,0,0,0|1,0,1]=4 1671 B6R0.4 NCCCC(=O)O MCULE-3615304273 [1,1,0,0,0,0|0,0,1]=3 1672 B6R0.4 NCCCC(=O)O MCULE-7613134021 [1,1,0,0,0,0|0,0,1]=3 1673 B6R0.4 NCCNC(=O)N MCULE-1197396950 [1,1,0,0,0,0|1,0,1]=4 1674 B6R0.4 NCCNC(=O)N MCULE-2171700183 [1,1,0,0,0,0|1,0,1]=4 1675 B6R0.4 NCCNC(=O)N MCULE-3799764813 [1,1,0,0,0,0|1,0,1]=4 1676 B6R0.4 NCCOC(=O)N MCULE-4144808257 [1,1,0,0,0,0|1,0,1]=4 1677 B6R0.4 NCCOC(=O)N MCULE-5815053840 [1,1,0,0,0,0|1,0,1]=4 1678 B6R0.4 NOCCC(=O)O MCULE-1529492904 [1,1,0,0,0,0|0,0,1]=3 1679 B6R0.4 NOCCC(=O)O MCULE-6297331357 [1,1,0,0,0,0|0,0,1]=3 1680 B6R0.4 O=C(O)/C=C/CBr MCULE-2012997584 [1,1,0,0,0,0|1,0,1]=4 1681 B6R0.4 O=C(O)/C=C/CCl MCULE-5651159998 [1,1,0,0,0,0|1,0,1]=4 1682 B6R0.4 O=C(O)/C=C/CO MCULE-1612823053 [1,1,0,0,0,0|0,0,2]=4 1683 B6R0.4 O=C(O)C=CCBr MCULE-3029375430 [1,1,0,0,0,0|1,0,1]=4 1684 B6R0.4 O=C(O)C=CCCl MCULE-1050913038 [1,1,0,0,0,0|1,0,1]=4 1685 B6R0.4 O=C(O)C=CCO MCULE-3375515425 [1,1,0,0,0,0|0,0,2]=4 1686 B6R0.4 O=C(O)CCCBr MCULE-5669825022 [1,1,0,0,0,0|1,0,1]=4 1687 B6R0.4 O=C(O)CCCCl MCULE-7721427391 [1,1,0,0,0,0|1,0,1]=4 1688 B6R0.4 O=C(O)CCCF MCULE-2415675768 [1,1,0,0,0,0|1,0,1]=4 1689 B6R0.4 O=C(O)CCCI MCULE-7794841553 [1,1,0,0,0,0|1,0,1]=4 1690 B6R0.4 O=C(O)CCCS MCULE-3352840152 [1,1,0,0,0,0|0,1,1]=4 1691 B6R0.4 O=C(O)CNCO MCULE-4092998319 [1,1,0,0,0,0|0,0,2]=4 1692 B6R0.4 O=C([O-])CNCO MCULE-2804068565 [1,1,0,0,0,0|1,0,1]=4 1693 B6R0.4 O=CCCC(=O)O MCULE-7183864722 [1,1,0,0,0,0|0,0,0]=2 1694 B6R0.4 O=CCCN(=O)=O MCULE-3692892497 [1,1,0,0,0,0|1,0,1]=4 1695 B6R0.4 O=CNCC(=O)O MCULE-3251128290 [1,1,0,0,0,0|0,0,0]=2 1696 B6R0.5 C=CCS(=O)(=O)N MCULE-7056942389 [1,1,0,0,0,0|2,0,0]=4 1697 B6R0.5 C=CCS(=O)(=O)O MCULE-2373600268 [1,1,0,0,0,0|2,0,0]=4 1698 B6R0.5 NCCP(=O)(O)O MCULE-6030069631 [1,1,0,0,0,0|1,0,1]=4 1699 B6R0.5 NCCP(=O)(O)O MCULE-7710471805 [1,1,0,0,0,0|1,0,1]=4 1700 B6R0.5 NCCS(=O)(=O)O MCULE-6041857208 [1,1,0,0,0,0|1,0,1]=4 1701 B6R0.5 NS(=O)(=O)CCO MCULE-2612328809 [1,1,0,0,0,0|1,0,1]=4 1702 B6R0.5 O=CCS(=O)(=O)O MCULE-1262210475 [1,1,0,0,0,0|1,0,0]=3 1703 B6R0.5 O=CCS(=O)(=O)[O-] MCULE-2577471949 [1,1,0,0,0,0|1,0,1]=4 1704 B6R0.7 CC(C)(N)C(=O)O MCULE-4254251799 [0,1,0,0,1,0|1,0,1]=4 1705 B6R0.7 CC(C)(N)C(=O)O MCULE-6175880842 [0,1,0,0,1,0|1,0,1]=4 1706 B6R0.7 CC(C)(O)C(=O)N MCULE-9151369011 [0,1,0,0,1,0|1,0,1]=4 1707 B6R0.7 N=C(N)S(=O)(=O)O MCULE-9630791590 [0,1,0,0,1,0|2,0,0]=4 1708 B6R0.7 O=C(O)P(=O)(O)O MCULE-6294437098 [0,1,0,0,1,0|2,0,0]=4 1709 B8R0.9 C(=CC(=O)NC)C(=O)O MCULE-6946307549 [0,1,0,0,0,1|0,0,1]=3 1710 B8R0.9 C=CC(=CCC(=O)O)C MCULE-5960312667 [0,1,0,0,0,1|2,0,0]=4 1711 B8R0.9 C=CC(=O)COC(=O)C MCULE-1008872923 [0,1,0,0,0,1|2,0,0]=4 1712 B8R0.9 C=CC(=O)NCC(=O)N MCULE-4638561901 [0,1,0,0,0,1|1,0,0]=3 1713 B8R0.9 C=CC(=O)NCC(=O)O MCULE-6459513586 [0,1,0,0,0,1|1,0,0]=3 1714 B8R0.9 C=CC(N)CCC(=O)O MCULE-3453656580 [0,1,0,0,0,1|1,0,1]=4 1715 B8R0.9 C=CC(N)CCC(=O)O MCULE-4435406748 [0,1,0,0,0,1|1,0,1]=4 1716 B8R0.9 C=C[C@@H](N)CCC(=O)O MCULE-5470042954 [0,1,0,0,0,1|1,0,1]=4 1717 B8R0.9 C=C[C@@H](N)CCC(=O)O MCULE-9017090012 [0,1,0,0,0,1|1,0,1]=4 1718 B8R0.9 C=C[C@H](N)CCC(=O)O MCULE-4615585642 [0,1,0,0,0,1|1,0,1]=4 1719 B8R0.9 CC(=NO)CCC(=O)O MCULE-2481442220 [0,1,0,0,0,1|1,0,1]=4 1720 B8R0.9 CC(=O)NC/C(=N\O)/N MCULE-6544551877 [0,1,0,0,0,1|1,0,1]=4 1721 B8R0.9 CC(=O)NCC(=O)NN MCULE-1688027287 [0,1,0,0,0,1|1,0,0]=3 1722 B8R0.9 CC(=O)OCC(=O)CCl MCULE-5422965047 [0,1,0,0,0,1|2,0,0]=4 1723 B8R0.9 CC(O)CCC(=O)NN MCULE-3743680204 [0,1,0,0,0,1|1,0,1]=4 1724 B8R0.9 CCC(=CCC(=O)O)C MCULE-3358969895 [0,1,0,0,0,1|2,0,0]=4 1725 B8R0.9 CCC(=O)C=CC(=O)O MCULE-2770953486 [0,1,0,0,0,1|1,0,1]=4 1726 B8R0.9 CCC(=O)CCC(=O)C MCULE-7923444653 [0,1,0,0,0,1|2,0,0]=4 1727 B8R0.9 CCC(=O)CCC(=O)O MCULE-4505750030 [0,1,0,0,0,1|1,0,0]=3 1728 B8R0.9 CCC(=O)COC(=O)C MCULE-4876335377 [0,1,0,0,0,1|2,0,0]=4 1729 B8R0.9 CCC(=O)NCC(=O)O MCULE-9173889437 [0,1,0,0,0,1|1,0,0]=3 1730 B8R0.9 CCC(N)CCC(=O)O MCULE-3116763773 [0,1,0,0,0,1|1,0,1]=4 1731 B8R0.9 CCC(N)CCC(=O)O MCULE-9126260921 [0,1,0,0,0,1|1,0,1]=4 1732 B8R0.9 CCS(=O)CCC(=O)O MCULE-4027618720 [0,1,0,0,0,1|2,0,0]=4 1733 B8R0.9 CNC(=O)/C=C\C(=O)O MCULE-9272095560 [0,1,0,0,0,1|0,0,1]=3 1734 B8R0.9 CNC(=O)CCC(=O)O MCULE-8340443315 [0,1,0,0,0,1|0,0,0]=2 1735 B8R0.9 CNC(=O)CNC(=O)C MCULE-3508245247 [0,1,0,0,0,1|1,0,0]=3 1736 B8R0.9 CNC(=O)NCC(=O)O MCULE-9575946804 [0,1,0,0,0,1|0,0,0]=2 1737 B8R0.9 COC(=O)/C=C/C(=O)C MCULE-7597345789 [0,1,0,0,0,1|1,0,1]=4 1738 B8R0.9 COC(=O)/C=C/C(=O)N MCULE-9155646828 [0,1,0,0,0,1|0,0,1]=3 1739 B8R0.9 COC(=O)/C=C/C(=O)O MCULE-6611318809 [0,1,0,0,0,1|1,0,1]=4 1740 B8R0.9 COC(=O)/C=C\C(=O)O MCULE-6268249504 [0,1,0,0,0,1|1,0,1]=4 1741 B8R0.9 COC(=O)C=CC(=O)C MCULE-5746687781 [0,1,0,0,0,1|1,0,1]=4 1742 B8R0.9 COC(=O)C=CC(=O)Cl MCULE-8442342779 [0,1,0,0,0,1|1,0,1]=4 1743 B8R0.9 COC(=O)C=CC(=O)O MCULE-3111892186 [0,1,0,0,0,1|1,0,1]=4 1744 B8R0.9 COC(=O)CCC(=O)C MCULE-6324755148 [0,1,0,0,0,1|1,0,0]=3 1745 B8R0.9 COC(=O)CCC(=O)Cl MCULE-2684320402 [0,1,0,0,0,1|1,0,0]=3 1746 B8R0.9 COC(=O)CCC(=O)N MCULE-1154081515 [0,1,0,0,0,1|0,0,0]=2 1747 B8R0.9 COC(=O)CCC(=O)O MCULE-4083173324 [0,1,0,0,0,1|1,0,0]=3 1748 B8R0.9 COC(=O)CCC(=S)N MCULE-4037707510 [0,1,0,0,0,1|0,1,0]=3 1749 B8R0.9 COC(=O)CCN(=O)=O MCULE-3836108700 [0,1,0,0,0,1|2,0,0]=4 1750 B8R0.9 COC(=O)CCS(=O)O MCULE-4935012562 [0,1,0,0,0,1|2,0,0]=4 1751 B8R0.9 COC(=O)CCS(=O)[O-] MCULE-5802411922 [0,1,0,0,0,1|2,0,0]=4 1752 B8R0.9 COC(=O)CNC(=O)C MCULE-3795072377 [0,1,0,0,0,1|1,0,0]=3 1753 B8R0.9 COC(=O)CSC(=N)N MCULE-5721573915 [0,1,0,0,0,1|1,0,0]=3 1754 B8R0.9 COC(=O)CSC(=N)N MCULE-8534299006 [0,1,0,0,0,1|1,0,0]=3 1755 B8R0.9 COC(=O)NCC(=O)C MCULE-1043877696 [0,1,0,0,0,1|1,0,0]=3 1756 B8R0.9 COC(=O)NCC(=O)O MCULE-3693365728 [0,1,0,0,0,1|1,0,0]=3 1757 B8R0.9 NCC(=O)CCC(=O)O MCULE-6371115085 [0,1,0,0,0,1|0,0,0]=2 1758 B8R0.9 NCC(=O)CCC(=O)O MCULE-8125179397 [0,1,0,0,0,1|0,0,0]=2 1759 B8R0.9 NCC(=O)CCC(=O)O MCULE-8676354165 [0,1,0,0,0,1|0,0,0]=2 1760 B8R0.9 NCC(=O)NCC(=O)N MCULE-8386571025 [0,1,0,0,0,1|1,0,0]=3 1761 B8R0.9 NCC(=O)NCC(=O)O MCULE-1239116894 [0,1,0,0,0,1|0,0,0]=2 1762 B8R0.9 NCC(=O)NCC(=O)O MCULE-2139302839 [0,1,0,0,0,1|0,0,0]=2 1763 B8R0.9 NCC(N)CCC(=O)O MCULE-1054409990 [0,1,0,0,0,1|1,0,1]=4 1764 B8R0.9 NC[C@@H](N)CCC(=O)O MCULE-2916881042 [0,1,0,0,0,1|1,0,1]=4 1765 B8R0.9 NC[C@@H](N)CCC(=O)O MCULE-7249154843 [0,1,0,0,0,1|1,0,1]=4 1766 B8R0.9 NNC(=O)CCC(=O)N MCULE-9710004878 [0,1,0,0,0,1|1,0,0]=3 1767 B8R0.9 NNC(=O)CCC(=O)O MCULE-7643180740 [0,1,0,0,0,1|0,0,0]=2 1768 B8R0.9 NNC(=O)CCC(=O)O MCULE-9888193887 [0,1,0,0,0,1|0,0,0]=2 1769 B8R0.9 NNC(=O)NCC(=O)O MCULE-6013763993 [0,1,0,0,0,1|0,0,0]=2 1770 B8R0.9 NNC(=O)NCC(=O)O MCULE-8104731063 [0,1,0,0,0,1|0,0,0]=2 1771 B8R0.9 NNC(=S)NCC(=O)N MCULE-6705086685 [0,1,0,0,0,1|1,1,0]=4 1772 B8R0.9 N[C@H](CO)CCC(=O)O MCULE-1233079264 [0,1,0,0,0,1|0,0,2]=4 1773 B8R0.9 N[C@H](CO)CCC(=O)O MCULE-8091475267 [0,1,0,0,0,1|0,0,2]=4 1774 B8R0.9 O=C(O)CCC(=O)CBr MCULE-8373387398 [0,1,0,0,0,1|1,0,0]=3 1775 B8R0.9 O=C(O)CCC(=O)NO MCULE-2226202964 [0,1,0,0,0,1|0,0,0]=2 1776 B8R0.9 O=C(O)CCP(=O)CO MCULE-3163541128 [0,1,0,0,0,1|2,0,0]=4 1777 B8R0.9 O=C(O)CNC(=O)CCl MCULE-2917654196 [0,1,0,0,0,1|1,0,0]=3 1778 B8R0.9 O=C(O)COC(=O)CO MCULE-4022202206 [0,1,0,0,0,1|1,0,0]=3 1779 B8R0.23 C(=C(Br)C(=O)O)C(=O)O MCULE-1343964958 [0,1,0,0,0,1|1,0,1]=4 1780 B8R0.23 C(N)(CS(=O)C)C(=O)O MCULE-3320985154 [0,1,0,0,0,1|2,0,0]=4 1781 B8R0.23 C/C(=C/C(=O)O)/C(=O)O MCULE-9648210920 [0,1,0,0,0,1|1,0,1]=4 1782 B8R0.23 C/C(=C\C(=O)O)/C(=O)O MCULE-1060050416 [0,1,0,0,0,1|1,0,1]=4 1783 B8R0.23 C=C(Br)CC(N)C(=O)O MCULE-2311003313 [0,1,0,0,0,1|2,0,0]=4 1784 B8R0.23 C=C(Br)C[C@@H](N)C(=O)O MCULE-2061865879 [0,1,0,0,0,1|2,0,0]=4 1785 B8R0.23 C=C(Br)C[C@@H](N)C(=O)O MCULE-6617690939 [0,1,0,0,0,1|2,0,0]=4 1786 B8R0.23 C=C(Br)C[C@H](N)C(=O)O MCULE-2602336550 [0,1,0,0,0,1|2,0,0]=4 1787 B8R0.23 C=C(Br)C[C@H](N)C(=O)O MCULE-9274484893 [0,1,0,0,0,1|2,0,0]=4 1788 B8R0.23 C=C(C)C(N)CC(=O)O MCULE-5527747045 [0,1,0,0,0,1|2,0,0]=4 1789 B8R0.23 C=C(C)CC(C)C(=O)O MCULE-7268483710 [0,1,0,0,0,1|2,0,0]=4 1790 B8R0.23 C=C(C)CC(N)C(=O)O MCULE-5915882776 [0,1,0,0,0,1|2,0,0]=4 1791 B8R0.23 C=C(C)C[C@@H](N)C(=O)O MCULE-2841714882 [0,1,0,0,0,1|2,0,0]=4 1792 B8R0.23 C=C(C)C[C@H](C)C(=O)O MCULE-9053114079 [0,1,0,0,0,1|2,0,0]=4 1793 B8R0.23 C=C(C)C[C@H](N)C(=O)O MCULE-1029058491 [0,1,0,0,0,1|2,0,0]=4 1794 B8R0.23 C=C(C)C[C@H](N)C(=O)O MCULE-6974720260 [0,1,0,0,0,1|2,0,0]=4 1795 B8R0.23 C=C(C)[C@@H](O)CC(=O)O MCULE-9399932923 [0,1,0,0,0,1|2,0,0]=4 1796 B8R0.23 C=C(CC(=O)Cl)C(=O)Cl MCULE-5964382878 [0,1,0,0,0,1|2,0,0]=4 1797 B8R0.23 C=C(CC(=O)O)C(=O)O MCULE-5221256796 [0,1,0,0,0,1|1,0,0]=3 1798 B8R0.23 C=C(Cl)CC(N)C(=O)O MCULE-3498417929 [0,1,0,0,0,1|2,0,0]=4 1799 B8R0.23 C=C(Cl)CC(N)C(=O)O MCULE-7451890779 [0,1,0,0,0,1|2,0,0]=4 1800 B8R0.23 C=C(NC(=O)C)C(=O)O MCULE-6963284423 [0,1,0,0,0,1|1,0,1]=4 1801 B8R0.23 CC(=CC(=O)O)C(=O)O MCULE-9291663033 [0,1,0,0,0,1|1,0,1]=4 1802 B8R0.23 CC(=NC(=O)N)C(=O)O MCULE-5921330982 [0,1,0,0,0,1|0,0,1]=3 1803 B8R0.23 CC(=O)C(C)CC(=O)O MCULE-9095166615 [0,1,0,0,0,1|1,0,0]=3 1804 B8R0.23 CC(=O)C(N)CC(=O)O MCULE-7043175556 [0,1,0,0,0,1|1,0,0]=3 1805 B8R0.23 CC(=O)CC(C)C(=O)O MCULE-4640477792 [0,1,0,0,0,1|1,0,0]=3 1806 B8R0.23 CC(=O)CC(N)C(=O)O MCULE-6275652695 [0,1,0,0,0,1|1,0,0]=3 1807 B8R0.23 CC(=O)CC(N)C(=O)O MCULE-6690241894 [0,1,0,0,0,1|1,0,0]=3 1808 B8R0.23 CC(=O)CC(O)C(=O)C MCULE-3447949844 [0,1,0,0,0,1|2,0,0]=4 1809 B8R0.23 CC(=O)CC(O)C(=O)O MCULE-4728629069 [0,1,0,0,0,1|1,0,0]=3 1810 B8R0.23 CC(=O)N(C)CC(=O)O MCULE-1037482941 [0,1,0,0,0,1|1,0,0]=3 1811 B8R0.23 CC(=O)NC(=O)C(=O)N MCULE-2486343722 [0,1,0,0,0,1|1,0,1]=4 1812 B8R0.23 CC(=O)NC(C)C(=O)C MCULE-4672583112 [0,1,0,0,0,1|2,0,0]=4 1813 B8R0.23 CC(=O)NC(C)C(=O)O MCULE-1209958700 [0,1,0,0,0,1|1,0,0]=3 1814 B8R0.23 CC(=O)NC(C)C(=O)O MCULE-6844686208 [0,1,0,0,0,1|1,0,0]=3 1815 B8R0.23 CC(=O)N[C@@H](C)C(=O)Cl MCULE-1899336261 [0,1,0,0,0,1|2,0,0]=4 1816 B8R0.23 CC(=O)N[C@@H](C)C(=O)Cl MCULE-2242849037 [0,1,0,0,0,1|2,0,0]=4 1817 B8R0.23 CC(=O)N[C@@H](C)C(=O)N MCULE-9322824133 [0,1,0,0,0,1|1,0,0]=3 1818 B8R0.23 CC(=O)N[C@@H](C)C(=O)N MCULE-9348799148 [0,1,0,0,0,1|1,0,0]=3 1819 B8R0.23 CC(=O)N[C@@H](C)C(=O)O MCULE-7453059048 [0,1,0,0,0,1|1,0,0]=3 1820 B8R0.23 CC(=O)N[C@@H](C)C(=O)O MCULE-9637570463 [0,1,0,0,0,1|1,0,0]=3 1821 B8R0.23 CC(=O)N[C@H](C)C(=O)O MCULE-1908712348 [0,1,0,0,0,1|1,0,0]=3 1822 B8R0.23 CC(=O)N[C@H](C)C(=O)O MCULE-3023888296 [0,1,0,0,0,1|1,0,0]=3 1823 B8R0.23 CC(=O)OC(C)C(=O)C MCULE-7403314261 [0,1,0,0,0,1|2,0,0]=4 1824 B8R0.23 CC(=O)OC(C)C(=O)Cl MCULE-9987734584 [0,1,0,0,0,1|2,0,0]=4 1825 B8R0.23 CC(=O)OC(C)C(=O)O MCULE-6745958064 [0,1,0,0,0,1|1,0,0]=3 1826 B8R0.23 CC(=O)OC(C)C(=O)O MCULE-8940501529 [0,1,0,0,0,1|1,0,0]=3 1827 B8R0.23 CC(=O)O[C@@H](C)C(=O)Cl MCULE-6842776649 [0,1,0,0,0,1|2,0,0]=4 1828 B8R0.23 CC(=O)O[C@@H](C)C(=O)Cl MCULE-9564324053 [0,1,0,0,0,1|2,0,0]=4 1829 B8R0.23 CC(=O)O[C@@H](C)C(=O)O MCULE-7850132202 [0,1,0,0,0,1|1,0,0]=3 1830 B8R0.23 CC(=O)O[C@@H](C)C(=O)O MCULE-9087871033 [0,1,0,0,0,1|1,0,0]=3 1831 B8R0.23 CC(=O)O[C@@H](C)C(=S)N MCULE-3286144331 [0,1,0,0,0,1|1,1,0]=4 1832 B8R0.23 CC(=O)O[C@H](C)C(=O)Cl MCULE-4690787544 [0,1,0,0,0,1|2,0,0]=4 1833 B8R0.23 CC(=O)O[C@H](C)C(=O)Cl MCULE-6415823129 [0,1,0,0,0,1|2,0,0]=4 1834 B8R0.23 CC(=O)O[C@H](C)C(=O)O MCULE-3788243723 [0,1,0,0,0,1|1,0,0]=3 1835 B8R0.23 CC(=O)O[C@H](C)C(=O)O MCULE-8696299139 [0,1,0,0,0,1|1,0,0]=3 1836 B8R0.23 CC(CC(=O)Cl)C(=O)Cl MCULE-1409735811 [0,1,0,0,0,1|2,0,0]=4 1837 B8R0.23 CC(CC(=O)N)C(=O)O MCULE-8238400356 [0,1,0,0,0,1|0,0,0]=2 1838 B8R0.23 CC(CC(=O)O)C(=O)O MCULE-4824634360 [0,1,0,0,0,1|1,0,0]=3 1839 B8R0.23 CC(CC(=O)O)C(=O)O MCULE-8116748590 [0,1,0,0,0,1|1,0,0]=3 1840 B8R0.23 CC(CS(=O)C)C(=O)O MCULE-4855592077 [0,1,0,0,0,1|2,0,0]=4 1841 B8R0.23 CC(NC(=N)N)C(=O)O MCULE-1509115617 [0,1,0,0,0,1|1,0,0]=3 1842 B8R0.23 CC(NC(=O)N)C(=O)O MCULE-9370944250 [0,1,0,0,0,1|0,0,0]=2 1843 B8R0.23 CN(CC(=O)O)C(=N)N MCULE-3625061513 [0,1,0,0,0,1|1,0,0]=3 1844 B8R0.23 CN(CC(=O)O)C(=N)N MCULE-4950835709 [0,1,0,0,0,1|1,0,0]=3 1845 B8R0.23 CN(CC(=O)O)C(=N)N MCULE-5131797215 [0,1,0,0,0,1|1,0,0]=3 1846 B8R0.23 CN(CC(=O)O)C(=O)N MCULE-6739535875 [0,1,0,0,0,1|0,0,0]=2 1847 B8R0.23 CN(CC(=O)O)C(=S)S MCULE-1910105668 [0,1,0,0,0,1|1,1,0]=4 1848 B8R0.23 CS(=O)CC(N)C(=O)O MCULE-5699602621 [0,1,0,0,0,1|2,0,0]=4 1849 B8R0.23 CS(=O)C[C@@H](N)C(=O)O MCULE-8253087333 [0,1,0,0,0,1|2,0,0]=4 1850 B8R0.23 CS(=O)C[C@H](N)C(=O)O MCULE-5080098254 [0,1,0,0,0,1|2,0,0]=4 1851 B8R0.23 C[C@@H](CC(=O)O)C(=O)O MCULE-1711994689 [0,1,0,0,0,1|1,0,0]=3 1852 B8R0.23 C[C@@H](CC(=O)O)C(=O)O MCULE-6107805812 [0,1,0,0,0,1|1,0,0]=3 1853 B8R0.23 C[C@H](CC(=O)O)C(=O)O MCULE-2738295504 [0,1,0,0,0,1|1,0,0]=3 1854 B8R0.23 C[C@H](CC(=O)O)C(=O)O MCULE-4544789339 [0,1,0,0,0,1|1,0,0]=3 1855 B8R0.23 C[C@H](NC(=O)N)C(=O)O MCULE-7947685696 [0,1,0,0,0,1|0,0,0]=2 1856 B8R0.23 C[S@](=O)C[C@@H](N)C(=O)O MCULE-4004385080 [0,1,0,0,0,1|2,0,0]=4 1857 B8R0.23 NC(=O)C(N)CC(=O)O MCULE-2277575843 [0,1,0,0,0,1|0,0,0]=2 1858 B8R0.23 NC(=O)C=C(N)C(=O)N MCULE-1435081726 [0,1,0,0,0,1|1,0,1]=4 1859 B8R0.23 NC(=O)CC(Br)C(=O)O MCULE-2823539046 [0,1,0,0,0,1|0,0,0]=2 1860 B8R0.23 NC(=O)CC(N)C(=O)O MCULE-1395307434 [0,1,0,0,0,1|0,0,0]=2 1861 B8R0.23 NC(=O)C[C@@H](N)C(=O)N MCULE-7126009795 [0,1,0,0,0,1|1,0,0]=3 1862 B8R0.23 NC(=O)C[C@@H](N)C(=O)O MCULE-5685974579 [0,1,0,0,0,1|0,0,0]=2 1863 B8R0.23 NC(=O)C[C@@H](N)C(=O)O MCULE-6923060287 [0,1,0,0,0,1|0,0,0]=2 1864 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-3049784970 [0,1,0,0,0,1|1,0,0]=3 1865 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-6209092318 [0,1,0,0,0,1|1,0,0]=3 1866 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-7482170747 [0,1,0,0,0,1|1,0,0]=3 1867 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-8939291995 [0,1,0,0,0,1|1,0,0]=3 1868 B8R0.23 NC(=O)C[C@H](N)C(=O)O MCULE-1868046141 [0,1,0,0,0,1|0,0,0]=2 1869 B8R0.23 NC(=O)C[C@H](N)C(=O)O MCULE-8248953574 [0,1,0,0,0,1|0,0,0]=2 1870 B8R0.23 NC(=O)N(N)CC(=O)O MCULE-2553509411 [0,1,0,0,0,1|0,0,0]=2 1871 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-1924512659 [0,1,0,0,0,1|0,0,0]=2 1872 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-5836180326 [0,1,0,0,0,1|0,0,0]=2 1873 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-8799617587 [0,1,0,0,0,1|0,0,0]=2 1874 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-9477928215 [0,1,0,0,0,1|0,0,0]=2 1875 B8R0.23 NC(=O)[C@H](N)CC(=O)O MCULE-5316198498 [0,1,0,0,0,1|0,0,0]=2 1876 B8R0.23 NC(=O)[C@H](N)CC(=O)O MCULE-9833023193 [0,1,0,0,0,1|0,0,0]=2 1877 B8R0.23 NC(CC(=O)O)C(=O)O MCULE-1247865301 [0,1,0,0,0,1|1,0,0]=3 1878 B8R0.23 NC(CC(=O)O)C(=O)O MCULE-9328817309 [0,1,0,0,0,1|1,0,0]=3 1879 B8R0.23 NC(CC(=O)O)C(=O)[O-] MCULE-5149469296 [0,1,0,0,0,1|1,0,0]=3 1880 B8R0.23 NC(CC(=O)O)C(=O)[O-] MCULE-6655576025 [0,1,0,0,0,1|1,0,0]=3 1881 B8R0.23 NC(CC(=O)[O-])C(=O)O MCULE-9221777365 [0,1,0,0,0,1|1,0,0]=3 1882 B8R0.23 NC(CC(=O)[O-])C(=O)[O-] MCULE-5331717218 [0,1,0,0,0,1|1,0,1]=4 1883 B8R0.23 NC(CC(=O)[O-])C(=O)[O-] MCULE-5921707862 [0,1,0,0,0,1|1,0,1]=4 1884 B8R0.23 N[C@@H](CC(=O)O)C(=O)O MCULE-3710241722 [0,1,0,0,0,1|1,0,0]=3 1885 B8R0.23 N[C@@H](CC(=O)O)C(=O)O MCULE-6700641640 [0,1,0,0,0,1|1,0,0]=3 1886 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] MCULE-6196524297 [0,1,0,0,0,1|1,0,0]=3 1887 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)O MCULE-5793000569 [0,1,0,0,0,1|1,0,0]=3 1888 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-4019077430 [0,1,0,0,0,1|1,0,1]=4 1889 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-5586538224 [0,1,0,0,0,1|1,0,1]=4 1890 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-7845714288 [0,1,0,0,0,1|1,0,1]=4 1891 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-8320700728 [0,1,0,0,0,1|1,0,1]=4 1892 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-8905060145 [0,1,0,0,0,1|1,0,1]=4 1893 B8R0.23 N[C@@H](CS(=O)O)C(=O)O MCULE-6647925908 [0,1,0,0,0,1|2,0,0]=4 1894 B8R0.23 N[C@@H](CS(=O)O)C(=O)O MCULE-7596867929 [0,1,0,0,0,1|2,0,0]=4 1895 B8R0.23 N[C@H](CC(=O)O)C(=O)O MCULE-8102700760 [0,1,0,0,0,1|1,0,0]=3 1896 B8R0.23 O=C(O)/C=C(\F)/C(=O)O MCULE-5646698704 [0,1,0,0,0,1|1,0,1]=4 1897 B8R0.23 O=C(O)C=C(F)C(=O)O MCULE-9862154394 [0,1,0,0,0,1|1,0,1]=4 1898 B8R0.23 O=C(O)C=C(I)C(=O)O MCULE-3104454041 [0,1,0,0,0,1|1,0,1]=4 1899 B8R0.23 O=C(O)CC(=C(Cl)Cl)Cl MCULE-1048319494 [0,1,0,0,0,1|2,0,0]=4 1900 B8R0.23 O=C(O)CC(=O)C(=O)O MCULE-6059222019 [0,1,0,0,0,1|1,0,0]=3 1901 B8R0.23 O=C(O)CC(Br)C(=O)O MCULE-8178780603 [0,1,0,0,0,1|1,0,0]=3 1902 B8R0.23 O=C(O)CC(Cl)C(=O)O MCULE-6357456691 [0,1,0,0,0,1|1,0,0]=3 1903 B8R0.23 O=C(O)CC(F)C(=O)O MCULE-8433198001 [0,1,0,0,0,1|1,0,0]=3 1904 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-5852208511 [0,1,0,0,0,1|1,0,0]=3 1905 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-9713558868 [0,1,0,0,0,1|1,0,0]=3 1906 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-9924961830 [0,1,0,0,0,1|1,0,0]=3 1907 B8R0.23 O=C(O)CC(S)C(=O)O MCULE-7005300961 [0,1,0,0,0,1|1,0,0]=3 1908 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O MCULE-4598056907 [0,1,0,0,0,1|1,0,0]=3 1909 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O MCULE-7861798045 [0,1,0,0,0,1|1,0,0]=3 1910 B8R0.23 O=C(O)C[C@@H](O)C(=O)O MCULE-2239273084 [0,1,0,0,0,1|1,0,0]=3 1911 B8R0.23 O=C(O)C[C@@H](O)C(=O)O MCULE-4984266891 [0,1,0,0,0,1|1,0,0]=3 1912 B8R0.23 O=C(O)C[C@H](Br)C(=O)O MCULE-6763472515 [0,1,0,0,0,1|1,0,0]=3 1913 B8R0.23 O=C(O)C[C@H](Br)C(=O)O MCULE-7524683930 [0,1,0,0,0,1|1,0,0]=3 1914 B8R0.23 O=C(O)C[C@H](F)C(=O)O MCULE-9607625100 [0,1,0,0,0,1|1,0,0]=3 1915 B8R0.23 O=C(O)C[C@H](O)C(=O)O MCULE-8339271078 [0,1,0,0,0,1|1,0,0]=3 1916 B8R0.23 O=C(O)C[C@H](O)C(=O)O MCULE-8865188741 [0,1,0,0,0,1|1,0,0]=3 1917 B8R0.23 O=C(O)C[C@H](O)C(=O)[O-] MCULE-1033530810 [0,1,0,0,0,1|1,0,0]=3 1918 B8R0.23 O=C(O)C[C@H](S)C(=O)O MCULE-6393371024 [0,1,0,0,0,1|1,0,0]=3 1919 B8R0.23 OC(=O)CN(C(=O)N)N MCULE-5081763144 [0,1,0,0,0,1|0,0,0]=2 1920 B8R0.23 [C@@H](N)(CC(=O)O)C(=O)O MCULE-7899824165 [0,1,0,0,0,1|1,0,0]=3 1921 B8R0.23 [C@H](N)(CS(=O)C)C(=O)O MCULE-5084638505 [0,1,0,0,0,1|2,0,0]=4 1922 B8R0.23 [NH3+]C(CS(=O)[O-])C(=O)O MCULE-5293441756 [0,1,0,0,0,1|2,0,0]=4 1923 B8R0.23 [NH3+][C@@H](CC(=O)[O-])C(=O)[O-] MCULE-1215535631 [0,1,0,0,0,1|1,0,1]=4 1924 B8R0.29 CC(=O)NCP(=O)(O)O MCULE-6441383987 [0,1,0,0,0,1|2,0,0]=4 1925 B8R0.29 CC(C)(N)CCC(=O)O MCULE-1195501366 [0,1,0,0,0,1|1,0,1]=4 1926 B8R0.29 CC(C)(N)CCC(=O)O MCULE-3901764815 [0,1,0,0,0,1|1,0,1]=4 1927 B8R0.29 CP(=O)(C)CCC(=O)O MCULE-4161237740 [0,1,0,0,0,1|2,0,0]=4 1928 B8R0.29 CP(=O)(O)CCC(=O)O MCULE-7722406670 [0,1,0,0,0,1|2,0,0]=4 1929 B8R0.29 CS(=O)(=NCC(=O)O)C MCULE-1962520069 [0,1,0,0,0,1|2,0,0]=4 1930 B8R0.29 CS(=O)(=O)CCC(=O)O MCULE-6100062469 [0,1,0,0,0,1|2,0,0]=4 1931 B8R0.29 CS(=O)(=O)NCC(=O)O MCULE-6239662408 [0,1,0,0,0,1|2,0,0]=4 1932 B8R0.29 CS(=O)(=O)OCC(=O)O MCULE-5511249618 [0,1,0,0,0,1|2,0,0]=4 1933 B8R0.29 NC(=O)CSS(=O)(=O)[O-] MCULE-8505766303 [0,1,0,0,0,1|1,0,1]=4 1934 B8R0.29 NC(=O)CSS(=O)(=O)[O-] MCULE-8882893376 [0,1,0,0,0,1|1,0,1]=4 1935 B8R0.29 NS(=O)(=O)CCC(=O)O MCULE-7062523969 [0,1,0,0,0,1|1,0,0]=3 1936 B8R0.29 O=C(O)CCP(=O)(O)O MCULE-5647723204 [0,1,0,0,0,1|2,0,0]=4 1937 B8R0.29 O=C(O)CCS(=O)(=O)O MCULE-8973025218 [0,1,0,0,0,1|2,0,0]=4 1938 B8R0.2 C=C(C)C(Cl)C(=O)OC MCULE-1665283862 [0,2,0,0,0,0|2,0,0]=4 1939 B8R0.2 C=C(N)C(N)C(=O)OC MCULE-5118385991 [0,2,0,0,0,0|1,0,0]=3 1940 B8R0.2 C=C(N)C(N)C(=O)OC MCULE-7419562140 [0,2,0,0,0,0|1,0,0]=3 1941 B8R0.2 C=C(N)C(N)C(=O)OC MCULE-8416732356 [0,2,0,0,0,0|1,0,0]=3 1942 B8R0.2 CCC(=O)C(C)C(=O)O MCULE-9192813670 [0,2,0,0,0,0|1,0,0]=3 1943 B8R0.2 CNC(=O)C(Cl)C(=O)C MCULE-7816149596 [0,2,0,0,0,0|1,0,0]=3 1944 B8R0.2 CNC(=O)C(N)C(C)O MCULE-1025476590 [0,2,0,0,0,0|1,0,1]=4 1945 B8R0.2 CNC(=O)C(N)C(C)O MCULE-6101866105 [0,2,0,0,0,0|1,0,1]=4 1946 B8R0.2 CNC(=O)[C@@H](N)[C@@H](C)O MCULE-1326924990 [0,2,0,0,0,0|1,0,1]=4 1947 B8R0.2 CNC(=O)[C@@H](N)[C@@H](C)O MCULE-5094760218 [0,2,0,0,0,0|1,0,1]=4 1948 B8R0.2 CNC(=O)[C@@H](N)[C@@H](C)O MCULE-9454209271 [0,2,0,0,0,0|1,0,1]=4 1949 B8R0.2 CNC(=O)[C@@H](N)[C@@H](C)O MCULE-9558878758 [0,2,0,0,0,0|1,0,1]=4 1950 B8R0.2 COC(=O)C(Br)C(=O)C MCULE-4571030586 [0,2,0,0,0,0|1,0,0]=3 1951 B8R0.2 COC(=O)C(C)C(=O)C MCULE-7473005493 [0,2,0,0,0,0|1,0,0]=3 1952 B8R0.2 COC(=O)C(C)C(=O)N MCULE-7480268767 [0,2,0,0,0,0|0,0,0]=2 1953 B8R0.2 COC(=O)C(C)C(=O)O MCULE-6548116408 [0,2,0,0,0,0|1,0,0]=3 1954 B8R0.2 COC(=O)C(C)N(=O)=O MCULE-1508014455 [0,2,0,0,0,0|2,0,0]=4 1955 B8R0.2 COC(=O)C(Cl)C(=O)C MCULE-8703201551 [0,2,0,0,0,0|1,0,0]=3 1956 B8R0.2 COC(=O)C(N)C(=O)C MCULE-6003738013 [0,2,0,0,0,0|1,0,0]=3 1957 B8R0.2 COC(=O)C(N)C(=O)C MCULE-6286319401 [0,2,0,0,0,0|1,0,0]=3 1958 B8R0.2 COC(=O)C(N)C(=O)O MCULE-2696171130 [0,2,0,0,0,0|1,0,0]=3 1959 B8R0.2 COC(=O)C(N)C(=O)O MCULE-7192453479 [0,2,0,0,0,0|1,0,0]=3 1960 B8R0.2 COC(=O)C(O)C(C)N MCULE-7579168292 [0,2,0,0,0,0|1,0,1]=4 1961 B8R0.2 COC(=O)[C@@H](N)C(=O)O MCULE-3813999303 [0,2,0,0,0,0|1,0,0]=3 1962 B8R0.2 COC(=O)[C@@H](N)C(=O)O MCULE-7475117362 [0,2,0,0,0,0|1,0,0]=3 1963 B8R0.2 COC(=O)[C@H](C)[C@@H](C)N MCULE-1711341812 [0,2,0,0,0,0|1,0,1]=4 1964 B8R0.2 COC(=O)[C@H](C)[C@@H](C)N MCULE-1867656873 [0,2,0,0,0,0|1,0,1]=4 1965 B8R0.2 COC(=O)[C@H](C)[C@@H](C)N MCULE-3450004076 [0,2,0,0,0,0|1,0,1]=4 1966 B8R0.2 COC(=O)[C@H](C)[C@@H](C)N MCULE-7295638242 [0,2,0,0,0,0|1,0,1]=4 1967 B8R0.2 O=C/C(=C(/Br)\C(=O)O)/Br MCULE-4235787323 [0,2,0,0,0,0|1,0,1]=4 1968 B8R0.2 O=C/C(=C(/Cl)\C(=O)O)/Cl MCULE-5383258560 [0,2,0,0,0,0|1,0,1]=4 1969 B8R0.2 O=C/C(=C(\Cl)/C(=O)O)/Cl MCULE-2800807401 [0,2,0,0,0,0|1,0,1]=4 1970 B8R0.2 O=CC(=C(Br)C(=O)O)Br MCULE-6159934056 [0,2,0,0,0,0|1,0,1]=4 1971 B8R0.2 O=CC(=C(Cl)C(=O)O)Cl MCULE-1478625845 [0,2,0,0,0,0|1,0,1]=4 1972 B8R0.5 C#CCC(N)CC(=O)O MCULE-2010410671 [0,2,0,0,0,0|1,0,1]=4 1973 B8R0.5 C#CCC(N)CC(=O)O MCULE-9655976746 [0,2,0,0,0,0|1,0,1]=4 1974 B8R0.5 C#CC[C@@H](N)CC(=O)O MCULE-1849013560 [0,2,0,0,0,0|1,0,1]=4 1975 B8R0.5 C#CC[C@@H](N)CC(=O)O MCULE-5050240935 [0,2,0,0,0,0|1,0,1]=4 1976 B8R0.5 C#CC[C@@H](N)CC(=O)O MCULE-7394019004 [0,2,0,0,0,0|1,0,1]=4 1977 B8R0.5 C#CC[C@@H](N)CC(=O)O MCULE-8376747540 [0,2,0,0,0,0|1,0,1]=4 1978 B8R0.5 C#CC[C@H](N)CC(=O)O MCULE-1446527937 [0,2,0,0,0,0|1,0,1]=4 1979 B8R0.5 C#CC[C@H](N)CC(=O)O MCULE-4559086818 [0,2,0,0,0,0|1,0,1]=4 1980 B8R0.5 C#CC[C@H](N)CC(=O)O MCULE-5154381271 [0,2,0,0,0,0|1,0,1]=4 1981 B8R0.5 C#CC[C@H](N)CC(=O)O MCULE-9666448400 [0,2,0,0,0,0|1,0,1]=4 1982 B8R0.5 C=C(Br)CC(=O)OCC MCULE-2786450044 [0,2,0,0,0,0|2,0,0]=4 1983 B8R0.5 C=C(CCC)CC(=O)O MCULE-5240115049 [0,2,0,0,0,0|2,0,0]=4 1984 B8R0.5 C=CCC(N)CC(=O)O MCULE-1468461223 [0,2,0,0,0,0|1,0,1]=4 1985 B8R0.5 C=CCC(N)CC(=O)O MCULE-3288937491 [0,2,0,0,0,0|1,0,1]=4 1986 B8R0.5 C=CCC(N)CC(=O)O MCULE-4022730599 [0,2,0,0,0,0|1,0,1]=4 1987 B8R0.5 C=CCC(N)CC(=O)O MCULE-5843795649 [0,2,0,0,0,0|1,0,1]=4 1988 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-4754294062 [0,2,0,0,0,0|1,0,1]=4 1989 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-7831408077 [0,2,0,0,0,0|1,0,1]=4 1990 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-8503288377 [0,2,0,0,0,0|1,0,1]=4 1991 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-9398972010 [0,2,0,0,0,0|1,0,1]=4 1992 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-1784444892 [0,2,0,0,0,0|1,0,1]=4 1993 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-3247296447 [0,2,0,0,0,0|1,0,1]=4 1994 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-5484030094 [0,2,0,0,0,0|1,0,1]=4 1995 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-8982980423 [0,2,0,0,0,0|1,0,1]=4 1996 B8R0.5 CCCC(=O)CC(=O)C MCULE-1126963023 [0,2,0,0,0,0|2,0,0]=4 1997 B8R0.5 CCCC(=O)CC(=O)O MCULE-8977313826 [0,2,0,0,0,0|1,0,0]=3 1998 B8R0.5 CCCC(N)CC(=O)O MCULE-1356349547 [0,2,0,0,0,0|1,0,1]=4 1999 B8R0.5 CCCC(N)CC(=O)O MCULE-4946770886 [0,2,0,0,0,0|1,0,1]=4 2000 B8R0.5 CCCC(N)CC(=O)O MCULE-5502250330 [0,2,0,0,0,0|1,0,1]=4 2001 B8R0.5 CCCC(N)CC(=O)O MCULE-9959180111 [0,2,0,0,0,0|1,0,1]=4 2002 B8R0.5 CCCS(=O)CC(=O)O MCULE-4278595326 [0,2,0,0,0,0|2,0,0]=4 2003 B8R0.5 CCC[C@@H](N)CC(=O)O MCULE-9961668094 [0,2,0,0,0,0|1,0,1]=4 2004 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-1726586898 [0,2,0,0,0,0|1,0,1]=4 2005 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-5359238908 [0,2,0,0,0,0|1,0,1]=4 2006 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-5593873511 [0,2,0,0,0,0|1,0,1]=4 2007 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-7588873691 [0,2,0,0,0,0|1,0,1]=4 2008 B8R0.5 CCNC(=O)CC(=O)O MCULE-6073095545 [0,2,0,0,0,0|0,0,0]=2 2009 B8R0.5 CCNC(=O)CC(C)O MCULE-1959743741 [0,2,0,0,0,0|1,0,1]=4 2010 B8R0.5 CCNC(C)CC(=O)O MCULE-2938286546 [0,2,0,0,0,0|1,0,1]=4 2011 B8R0.5 CCNC(C)CC(=O)O MCULE-4848873654 [0,2,0,0,0,0|1,0,1]=4 2012 B8R0.5 CCO/C(=C/C(=O)O)/N MCULE-7778274433 [0,2,0,0,0,0|0,0,2]=4 2013 B8R0.5 CCO/C(=C/C(=O)O)/N MCULE-8836710093 [0,2,0,0,0,0|0,0,2]=4 2014 B8R0.5 CCOC(=O)/C=C(/C)\N MCULE-2741839757 [0,2,0,0,0,0|1,0,1]=4 2015 B8R0.5 CCOC(=O)/C=C(\C)/N MCULE-2531351299 [0,2,0,0,0,0|1,0,1]=4 2016 B8R0.5 CCOC(=O)C=C(C)N MCULE-5559390637 [0,2,0,0,0,0|1,0,1]=4 2017 B8R0.5 CCOC(=O)CC(=N)N MCULE-2205626178 [0,2,0,0,0,0|1,0,0]=3 2018 B8R0.5 CCOC(=O)CC(=N)N MCULE-7102889149 [0,2,0,0,0,0|1,0,0]=3 2019 B8R0.5 CCOC(=O)CC(=O)C MCULE-8615117086 [0,2,0,0,0,0|1,0,0]=3 2020 B8R0.5 CCOC(=O)CC(=O)Cl MCULE-2946486230 [0,2,0,0,0,0|1,0,0]=3 2021 B8R0.5 CCOC(=O)CC(=O)N MCULE-7799038725 [0,2,0,0,0,0|0,0,0]=2 2022 B8R0.5 CCOC(=O)CC(=O)O MCULE-9495505919 [0,2,0,0,0,0|1,0,0]=3 2023 B8R0.5 CCOC(=O)CC(=O)[O-] MCULE-6229774103 [0,2,0,0,0,0|1,0,0]=3 2024 B8R0.5 CCOC(=O)CC(=S)N MCULE-8264583697 [0,2,0,0,0,0|0,1,0]=3 2025 B8R0.5 CCOC(=O)CC(C)N MCULE-1243805331 [0,2,0,0,0,0|1,0,1]=4 2026 B8R0.5 CCOC(=O)CC(C)N MCULE-5115744093 [0,2,0,0,0,0|1,0,1]=4 2027 B8R0.5 CCOC(=O)CC(C)N MCULE-5865270424 [0,2,0,0,0,0|1,0,1]=4 2028 B8R0.5 CCOC(=O)CC(C)N MCULE-7563274819 [0,2,0,0,0,0|1,0,1]=4 2029 B8R0.5 CCOC(=O)CN(=O)=O MCULE-2325981285 [0,2,0,0,0,0|2,0,0]=4 2030 B8R0.5 CCOC(=O)C[C@@H](C)N MCULE-1945272442 [0,2,0,0,0,0|1,0,1]=4 2031 B8R0.5 CCOC(=O)C[C@@H](C)N MCULE-2760267862 [0,2,0,0,0,0|1,0,1]=4 2032 B8R0.5 CCOC(=O)C[C@@H](C)N MCULE-3046196442 [0,2,0,0,0,0|1,0,1]=4 2033 B8R0.5 CCOC(=O)C[C@@H](C)N MCULE-8919184785 [0,2,0,0,0,0|1,0,1]=4 2034 B8R0.5 CCOC(=O)C[C@H](C)N MCULE-2736239635 [0,2,0,0,0,0|1,0,1]=4 2035 B8R0.5 CCOC(=O)C[C@H](C)N MCULE-4857755885 [0,2,0,0,0,0|1,0,1]=4 2036 B8R0.5 CCOC(=O)C[C@H](C)N MCULE-8001518919 [0,2,0,0,0,0|1,0,1]=4 2037 B8R0.5 CCOC(=O)C[C@H](C)N MCULE-9141489226 [0,2,0,0,0,0|1,0,1]=4 2038 B8R0.5 CCOC(=O)NC(=O)C MCULE-8711109897 [0,2,0,0,0,0|2,0,0]=4 2039 B8R0.5 CCOC(=O)NC(=O)N MCULE-7086796426 [0,2,0,0,0,0|1,0,0]=3 2040 B8R0.5 CNCC(O)CC(=O)O MCULE-4502865855 [0,2,0,0,0,0|0,0,2]=4 2041 B8R0.5 CNCC(O)CC(=O)O MCULE-5628718703 [0,2,0,0,0,0|0,0,2]=4 2042 B8R0.5 COCC(=O)CC(=O)C MCULE-8600900987 [0,2,0,0,0,0|1,0,0]=3 2043 B8R0.5 N#CCC(=O)NC(=O)N MCULE-2207170284 [0,2,0,0,0,0|2,0,0]=4 2044 B8R0.5 NC(=O)NC(=O)CCCl MCULE-5654195703 [0,2,0,0,0,0|2,0,0]=4 2045 B8R0.5 NCCC(O)CC(=O)O MCULE-3095949832 [0,2,0,0,0,0|0,0,2]=4 2046 B8R0.5 NCCC(O)CC(=O)O MCULE-8864780829 [0,2,0,0,0,0|0,0,2]=4 2047 B8R0.16 CCC(CC(=O)N)OC MCULE-9685044533 [0,2,0,0,0,0|1,0,1]=4 2048 B8R0.16 COC(CC(=O)N)OC MCULE-8599636273 [0,2,0,0,0,0|0,0,2]=4 2049 B8R0.16 COC(CN)CC(=O)O MCULE-5640667137 [0,2,0,0,0,0|0,0,2]=4 2050 B8R0.16 COC(CN)CC(=O)O MCULE-6451369002 [0,2,0,0,0,0|0,0,2]=4 2051 B8R0.16 NCC(CO)CC(=O)O MCULE-2939268634 [0,2,0,0,0,0|0,0,2]=4 2052 B8R0.19 C=C(C#N)CC(=O)OC MCULE-6170444323 [0,2,0,0,0,0|1,0,1]=4 2053 B8R0.19 C=C(CCl)CC(=O)OC MCULE-3436182948 [0,2,0,0,0,0|2,0,0]=4 2054 B8R0.19 C=CC(=O)NC(=O)NC MCULE-7491775676 [0,2,0,0,0,0|2,0,0]=4 2055 B8R0.19 CC(=NN)CC(=O)NN MCULE-1283385586 [0,2,0,0,0,0|2,0,0]=4 2056 B8R0.19 CCC(=O)CC(=O)CC MCULE-9368471361 [0,2,0,0,0,0|2,0,0]=4 2057 B8R0.19 CCC(=O)CC(=O)OC MCULE-1605349915 [0,2,0,0,0,0|1,0,0]=3 2058 B8R0.19 CCC(N)CC(=O)OC MCULE-4861062224 [0,2,0,0,0,0|1,0,1]=4 2059 B8R0.19 CCC(N)CC(=O)OC MCULE-5474414259 [0,2,0,0,0,0|1,0,1]=4 2060 B8R0.19 CCC(N)CC(=O)OC MCULE-6614411962 [0,2,0,0,0,0|1,0,1]=4 2061 B8R0.19 CCC(N)CC(=O)OC MCULE-8833088600 [0,2,0,0,0,0|1,0,1]=4 2062 B8R0.19 CC[C@@H](N)CC(=O)OC MCULE-2253918492 [0,2,0,0,0,0|1,0,1]=4 2063 B8R0.19 CC[C@H](N)CC(=O)OC MCULE-1636989319 [0,2,0,0,0,0|1,0,1]=4 2064 B8R0.19 CC[C@H](N)CC(=O)OC MCULE-6253948831 [0,2,0,0,0,0|1,0,1]=4 2065 B8R0.19 CC[C@H](N)CC(=O)OC MCULE-7924708820 [0,2,0,0,0,0|1,0,1]=4 2066 B8R0.19 CC[C@H](N)CC(=O)OC MCULE-8911472049 [0,2,0,0,0,0|1,0,1]=4 2067 B8R0.19 CN/C(=C/C(=O)OC)/C MCULE-6748104823 [0,2,0,0,0,0|1,0,1]=4 2068 B8R0.19 CN/C(=C\C(=O)OC)/C MCULE-6583518879 [0,2,0,0,0,0|1,0,1]=4 2069 B8R0.19 CNC(=CC(=O)OC)C MCULE-1607524183 [0,2,0,0,0,0|1,0,1]=4 2070 B8R0.19 CNC(=O)CC(=O)NC MCULE-9228601964 [0,2,0,0,0,0|1,0,0]=3 2071 B8R0.19 CNC(=O)NC(=O)CCl MCULE-3193763796 [0,2,0,0,0,0|2,0,0]=4 2072 B8R0.19 CNC(C)CC(=O)OC MCULE-1039195486 [0,2,0,0,0,0|1,0,1]=4 2073 B8R0.19 COC(=N)CC(=O)OC MCULE-2416316391 [0,2,0,0,0,0|0,0,2]=4 2074 B8R0.19 COC(=N)CC(=O)OC MCULE-9193442551 [0,2,0,0,0,0|0,0,2]=4 2075 B8R0.19 COC(=O)C=C(C)C=O MCULE-8776671343 [0,2,0,0,0,0|1,0,1]=4 2076 B8R0.19 COC(=O)C=C(N)CF MCULE-6823347436 [0,2,0,0,0,0|1,0,1]=4 2077 B8R0.19 COC(=O)CC(=O)CCl MCULE-1683633113 [0,2,0,0,0,0|1,0,0]=3 2078 B8R0.19 COC(=O)CC(=O)OC MCULE-1727448163 [0,2,0,0,0,0|1,0,0]=3 2079 B8R0.19 COC(=O)CC(C)C=O MCULE-1183479071 [0,2,0,0,0,0|1,0,1]=4 2080 B8R0.19 COC(=O)CC(N)CN MCULE-3079708048 [0,2,0,0,0,0|1,0,1]=4 2081 B8R0.19 COC(=O)CC(N)CN MCULE-5046271852 [0,2,0,0,0,0|1,0,1]=4 2082 B8R0.19 COC(=O)CC(N)CO MCULE-4803123890 [0,2,0,0,0,0|0,0,2]=4 2083 B8R0.19 COC(=O)CC(N)CO MCULE-5372024399 [0,2,0,0,0,0|0,0,2]=4 2084 B8R0.19 COC(=O)CC(O)CN MCULE-6633164904 [0,2,0,0,0,0|0,0,2]=4 2085 B8R0.19 COC(=O)CC(O)CN MCULE-6973205945 [0,2,0,0,0,0|0,0,2]=4 2086 B8R0.19 COC(=O)CN(C)C=O MCULE-9266775990 [0,2,0,0,0,0|2,0,0]=4 2087 B8R0.19 COC(=O)NC(=O)CCl MCULE-6558463162 [0,2,0,0,0,0|2,0,0]=4 2088 B8R0.19 COC(=O)OC(=O)OC MCULE-4144943626 [0,2,0,0,0,0|2,0,0]=4 2089 B8R0.19 N=C(CC(=O)NO)NO MCULE-4324650628 [0,2,0,0,0,0|1,0,0]=3 2090 B8R0.19 NNC(=O)CC(=O)NN MCULE-3735369273 [0,2,0,0,0,0|1,0,0]=3 2091 B8R0.19 NNC(=O)CC(O)CCl MCULE-4502390137 [0,2,0,0,0,0|1,0,1]=4 2092 B8R0.19 O=C(CC(=O)NO)N[O-] MCULE-2570796060 [0,2,0,0,0,0|0,0,0]=2 2093 B8R0.19 O=C(CC(=O)NO)N[O-] MCULE-7606204032 [0,2,0,0,0,0|0,0,0]=2 2094 B8R0.19 O=C(CCl)CC(=O)CCl MCULE-3196467645 [0,2,0,0,0,0|2,0,0]=4 2095 B8R0.19 [C@@H](N)(CC)CC(=O)OC MCULE-3287738066 [0,2,0,0,0,0|1,0,1]=4 2096 B8R0.24 CNC(=O)CS(=O)(=O)C MCULE-7688916364 [0,2,0,0,0,0|1,0,1]=4 2097 B8R0.24 COC(=O)CC(C)(C)N MCULE-1261823146 [0,2,0,0,0,0|1,0,1]=4 2098 B8R0.24 COC(=O)CC(C)(C)N MCULE-9654641564 [0,2,0,0,0,0|1,0,1]=4 2099 B8R0.24 COC(=O)CP(=O)(O)O MCULE-7218551741 [0,2,0,0,0,0|2,0,0]=4 2100 B8R0.24 COC(=O)CS(=O)(=O)C MCULE-8613714610 [0,2,0,0,0,0|2,0,0]=4 2101 B8R0.24 COC(=O)CS(=O)(=O)Cl MCULE-1243995626 [0,2,0,0,0,0|2,0,0]=4 2102 B8R0.24 COC(=O)CS(=O)(=O)F MCULE-7680738509 [0,2,0,0,0,0|2,0,0]=4 2103 B8R0.24 COC(=O)CS(=O)(=O)N MCULE-3798914658 [0,2,0,0,0,0|1,0,0]=3 2104 B8R0.24 COC(=O)CS(=O)(=O)O MCULE-8404555176 [0,2,0,0,0,0|2,0,0]=4 2105 B8R0.24 COC(=O)CS(=O)(=O)[O-] MCULE-1512976061 [0,2,0,0,0,0|2,0,0]=4 2106 B8R0.24 CS(=O)(=O)CC(=O)NN MCULE-5238237367 [0,2,0,0,0,0|1,0,1]=4 2107 B8R0.24 O=C(CP(=O)(O)O)NO MCULE-2272923571 [0,2,0,0,0,0|1,0,0]=3 2108 B8R0.34 C=CC(C)(N)CC(=O)O MCULE-6219975516 [0,2,0,0,0,0|1,0,1]=4 2109 B8R0.34 C=CC(C)(N)CC(=O)O MCULE-7181187393 [0,2,0,0,0,0|1,0,1]=4 2110 B8R0.34 CC(C)(CN)CC(=O)O MCULE-6230830854 [0,2,0,0,0,0|1,0,1]=4 2111 B8R0.34 CC(C)(CN)CC(=O)O MCULE-7518023349 [0,2,0,0,0,0|1,0,1]=4 2112 B8R0.34 CC(O)(CN)CC(=O)O MCULE-3304637192 [0,2,0,0,0,0|0,0,2]=4 2113 B8R0.34 CC(O)(CN)CC(=O)O MCULE-4143526784 [0,2,0,0,0,0|0,0,2]=4 2114 B8R0.34 CCS(=O)(=O)CC(=O)O MCULE-2833586083 [0,2,0,0,0,0|2,0,0]=4 2115 B8R0.34 CNS(=O)(=O)CC(=O)C MCULE-2601057443 [0,2,0,0,0,0|2,0,0]=4 2116 B8R0.34 CNS(=O)(=O)CC(=O)O MCULE-3154336304 [0,2,0,0,0,0|1,0,0]=3 2117 B8R0.34 NCC(F)(F)CC(=O)O MCULE-1672648881 [0,2,0,0,0,0|1,0,1]=4 2118 B8R0.34 O=C(O)CP(=O)(O)OO MCULE-4846368706 [0,2,0,0,0,0|2,0,0]=4 2119 B8R0.34 O=C([O-])CP(=O)([O-])CO MCULE-3115316649 [0,2,0,0,0,0|2,0,0]=4 2120 B8R0.34 O=C([O-])CP(=O)([O-])CO MCULE-8841838500 [0,2,0,0,0,0|2,0,0]=4 2121 B8R0.27 CC(C(=O)O)P(=O)(O)O MCULE-8565461015 [0,2,0,0,0,0|2,0,0]=4 2122 B8R0.27 CC(C(=O)O)S(=O)(=O)C MCULE-7357476405 [0,2,0,0,0,0|2,0,0]=4 2123 B8R0.27 CC(C(=O)O)S(=O)(=O)N MCULE-9865873949 [0,2,0,0,0,0|1,0,0]=3 2124 B8R0.27 CP(=O)(C)C(O)C(=O)O MCULE-6921301874 [0,2,0,0,0,0|2,0,0]=4 2125 B8R0.27 O=C(O)C(Cl)P(=O)(O)O MCULE-8492715834 [0,2,0,0,0,0|2,0,0]=4 2126 B8R0.27 O=C(O)C(O)P(=O)(O)O MCULE-5564177953 [0,2,0,0,0,0|2,0,0]=4 2127 B8R0.18 CC(=O)C(C=O)C(=O)C MCULE-8700117770 [0,2,0,0,0,0|2,0,0]=4 2128 B8R0.18 CCC(C(=O)C)C(=O)C MCULE-2654310210 [0,2,0,0,0,0|2,0,0]=4 2129 B8R0.18 CCC(C(=O)C)C(=O)[O-] MCULE-6595833151 [0,2,0,0,0,0|1,0,1]=4 2130 B8R0.18 CCC(C(=O)C)C(=O)[O-] MCULE-8541174028 [0,2,0,0,0,0|1,0,1]=4 2131 B8R0.18 CCC(C(=O)Cl)C(=O)Cl MCULE-8542721391 [0,2,0,0,0,0|2,0,0]=4 2132 B8R0.18 CCC(C(=O)O)C(=O)O MCULE-3288957588 [0,2,0,0,0,0|1,0,0]=3 2133 B8R0.18 CCC(C(=O)O)C(C)N MCULE-2976322800 [0,2,0,0,0,0|1,0,1]=4 2134 B8R0.18 CCC(C(=O)[O-])C(=O)[O-] MCULE-5481544745 [0,2,0,0,0,0|1,0,1]=4 2135 B8R0.18 COC(C(=O)C)C(=O)C MCULE-2169553892 [0,2,0,0,0,0|2,0,0]=4 2136 B8R0.18 COC(C(=O)O)C(C)N MCULE-5882264486 [0,2,0,0,0,0|1,0,1]=4 2137 B8R0.18 N#CC(=C(N)Cl)C(=O)O MCULE-9943473987 [0,2,0,0,0,0|1,0,1]=4 2138 B8R0.18 NC(=O)C(=NO)C(=O)N MCULE-6171791903 [0,2,0,0,0,0|1,0,1]=4 2139 B8R0.18 O=C(O)C(=CBr)C(=O)O MCULE-6610352716 [0,2,0,0,0,0|1,0,1]=4 2140 B8R0.37 C=C(C)C(C)(C)C(=O)O MCULE-2186408605 [0,2,0,0,0,0|2,0,0]=4 2141 B8R0.37 C=C(Cl)C(C)(C)C(=O)O MCULE-1485350518 [0,2,0,0,0,0|2,0,0]=4 2142 B8R0.37 CC(=O)C(C)(C)C(=O)C MCULE-5128209361 [0,2,0,0,0,0|2,0,0]=4 2143 B8R0.37 CC(=O)C(C)(C)C(=O)O MCULE-5093326895 [0,2,0,0,0,0|1,0,0]=3 2144 B8R0.37 CC(=O)C(C)(C)C(=O)[O-] MCULE-6832030747 [0,2,0,0,0,0|1,0,1]=4 2145 B8R0.37 CC(=O)C(F)(Cl)C(=O)C MCULE-6002616162 [0,2,0,0,0,0|2,0,0]=4 2146 B8R0.37 CC(C)(C(=O)Cl)C(=O)Cl MCULE-1150837488 [0,2,0,0,0,0|2,0,0]=4 2147 B8R0.37 CC(C)(C(=O)N)C(=O)N MCULE-2181233977 [0,2,0,0,0,0|1,0,0]=3 2148 B8R0.37 CC(C)(C(=O)N)C(=O)O MCULE-2390691265 [0,2,0,0,0,0|0,0,0]=2 2149 B8R0.37 CC(C)(C(=O)O)C(=O)O MCULE-7318511088 [0,2,0,0,0,0|1,0,0]=3 2150 B8R0.37 CC(N)C(C)(C)C(=O)O MCULE-4369218088 [0,2,0,0,0,0|1,0,1]=4 2151 B8R0.37 CC(N)C(C)(C)C(=O)O MCULE-9651473536 [0,2,0,0,0,0|1,0,1]=4 2152 B8R0.37 NC(=O)C(Br)(Br)C(=O)N MCULE-6758740224 [0,2,0,0,0,0|1,0,0]=3 2153 B8R0.37 NC(=O)C(F)(F)C(=O)N MCULE-3505764072 [0,2,0,0,0,0|1,0,0]=3 2154 B8R0.37 O=C(F)C(F)(F)C(=O)F MCULE-9160770290 [0,2,0,0,0,0|2,0,0]=4 2155 B8R0.37 O=C(O)C(F)(F)C(=O)O MCULE-4438516030 [0,2,0,0,0,0|1,0,0]=3 2156 B8R0.37 O=C(O)C(O)(O)C(=O)O MCULE-1610310703 [0,2,0,0,0,0|1,0,0]=3 2157 B8R0.37 O=C([O-])C(O)(O)C(=O)[O-] MCULE-3122749001 [0,2,0,0,0,0|1,0,1]=4 2158 B6R1.2 NC1=COC=C1 MCULE-1858324031 [1,0,0,1,0,0|1,0,1]=4 2159 B6R1.2 NC1=COC=C1 MCULE-3985426542 [1,0,0,1,0,0|1,0,1]=4 2160 B6R1.2 NC1=COC=N1 MCULE-2511021171 [1,0,0,1,0,0|2,0,0]=4 2161 B6R1.2 NC1=COC=N1 MCULE-3099880728 [1,0,0,1,0,0|2,0,0]=4 2162 B6R1.2 NC1=NOC=C1 MCULE-5363092492 [1,0,0,1,0,0|1,0,1]=4 2163 B6R1.2 NC1=NOC=N1 MCULE-1140308393 [1,0,0,1,0,0|2,0,0]=4 2164 B6R1.2 NC1=NOCC1 MCULE-4971355735 [1,0,0,1,0,0|1,0,1]=4 2165 B6R1.2 O=C1C=CCN1 MCULE-4338701003 [1,0,0,1,0,0|1,0,1]=4 2166 B6R1.2 O=C1C=CCO1 MCULE-4296503663 [1,0,0,1,0,0|1,0,1]=4 2167 B6R1.2 O=C1C=CNN1 MCULE-8045056316 [1,0,0,1,0,0|1,0,1]=4 2168 B6R1.2 O=C1C=CSN1 MCULE-6820517860 [1,0,0,1,0,0|0,1,1]=4 2169 B6R1.2 O=C1CC=CC1 MCULE-7606670114 [1,0,0,1,0,0|2,0,0]=4 2170 B6R1.2 O=C1CC=NN1 MCULE-1672455504 [1,0,0,1,0,0|1,0,0]=3 2171 B6R1.2 O=C1CCCN1 MCULE-3061780794 [1,0,0,1,0,0|1,0,1]=4 2172 B6R1.2 O=C1CCCO1 MCULE-6795890265 [1,0,0,1,0,0|1,0,1]=4 2173 B6R1.2 O=C1CCNC1 MCULE-2947789259 [1,0,0,1,0,0|1,0,1]=4 2174 B6R1.2 O=C1CCNC1 MCULE-7192595052 [1,0,0,1,0,0|1,0,1]=4 2175 B6R1.2 O=C1CCNN1 MCULE-7030953666 [1,0,0,1,0,0|1,0,1]=4 2176 B6R1.2 O=C1CCOC1 MCULE-2031733910 [1,0,0,1,0,0|1,0,1]=4 2177 B6R1.2 O=C1CCON1 MCULE-6799359324 [1,0,0,1,0,0|0,0,1]=3 2178 B6R1.2 O=C1CC[NH2+]N1 MCULE-5327505055 [1,0,0,1,0,0|1,0,1]=4 2179 B6R1.2 O=C1CNCN1 MCULE-2645891847 [1,0,0,1,0,0|2,0,0]=4 2180 B6R1.2 O=C1CNCN1 MCULE-9269137129 [1,0,0,1,0,0|2,0,0]=4 2181 B6R1.2 O=C1CSCN1 MCULE-3946660854 [1,0,0,1,0,0|2,0,0]=4 2182 B6R1.2 O=C1NC=CN1 MCULE-6249170076 [1,0,0,1,0,0|2,0,0]=4 2183 B6R1.2 O=C1NC=CO1 MCULE-4371023805 [1,0,0,1,0,0|2,0,0]=4 2184 B6R1.2 O=C1NC=CS1 MCULE-2039347995 [1,0,0,1,0,0|2,0,0]=4 2185 B6R1.2 O=C1NC=NN1 MCULE-8685001700 [1,0,0,1,0,0|2,0,0]=4 2186 B6R1.2 O=C1OC=CO1 MCULE-1924277704 [1,0,0,1,0,0|2,0,0]=4 2187 B6R1.2 OC1=CNC=C1 MCULE-3938204755 [1,0,0,1,0,0|1,0,1]=4 2188 B6R1.2 OC1=CNC=N1 MCULE-1911765165 [1,0,0,1,0,0|2,0,0]=4 2189 B6R1.5 C=C1CC(=O)O1 MCULE-7149487095 [1,0,0,1,0,0|1,0,0]=3 2190 B6R1.5 CC1CC(=O)N1 MCULE-6139592633 [1,0,0,1,0,0|1,0,1]=4 2191 B6R1.5 CC1CC(=O)O1 MCULE-9285847382 [1,0,0,1,0,0|1,0,1]=4 2192 B6R1.5 C[C@@H]1CC(=O)O1 MCULE-3257475519 [1,0,0,1,0,0|1,0,1]=4 2193 B6R1.5 NC1CC(=O)C1 MCULE-3450860282 [1,0,0,1,0,0|1,0,1]=4 2194 B6R1.5 NC1CC(=O)C1 MCULE-5974961836 [1,0,0,1,0,0|1,0,1]=4 2195 B6R1.5 O=C1CC(C1)O MCULE-7099112258 [1,0,0,1,0,0|1,0,1]=4 2196 B6R1.11 CC(=O)C1CO1 MCULE-4329154079 [1,0,0,1,0,0|1,0,1]=4 2197 B6R1.11 NC(=O)C1CC1 MCULE-9911054913 [1,0,0,1,0,0|1,0,1]=4 2198 B6R1.11 NC(=O)C1CO1 MCULE-6911744868 [1,0,0,1,0,0|0,0,1]=3 2199 B6R1.11 O=C(O)C1CC1 MCULE-4677373694 [1,0,0,1,0,0|1,0,1]=4 2200 B6R1.11 O=C(O)C1CN1 MCULE-3236125597 [1,0,0,1,0,0|0,0,1]=3 2201 B6R1.11 O=C(O)C1CO1 MCULE-2152916793 [1,0,0,1,0,0|0,0,2]=4 2202 B6R1.11 O=C(O)[C@@H]1CN1 MCULE-4363753412 [1,0,0,1,0,0|0,0,1]=3 2203 B6R1.11 O=C(O)[C@H]1CN1 MCULE-4830347195 [1,0,0,1,0,0|0,0,1]=3 2204 B6R1.11 O=C(O)[C@H]1CO1 MCULE-5204459723 [1,0,0,1,0,0|0,0,2]=4 2205 B6R1.11 O=C(O)[C@H]1CO1 MCULE-6983707093 [1,0,0,1,0,0|0,0,2]=4 2206 B6R1.11 O=C([O-])C1CN1 MCULE-6490437892 [1,0,0,1,0,0|0,0,2]=4 2207 B6R1.11 O=C([O-])C1CO1 MCULE-4586459966 [1,0,0,1,0,0|1,0,1]=4 2208 B6R1.11 O=C([O-])[C@@H]1CO1 MCULE-1647975669 [1,0,0,1,0,0|1,0,1]=4 2209 B6R1.11 O=C([O-])[C@@H]1CO1 MCULE-1906997950 [1,0,0,1,0,0|1,0,1]=4 2210 B6R1.11 O=C([O-])[C@@H]1CO1 MCULE-4899800766 [1,0,0,1,0,0|1,0,1]=4 2211 B6R1.11 O=C([O-])[C@@H]1CO1 MCULE-9148170094 [1,0,0,1,0,0|1,0,1]=4 2212 B6R1.11 O=C([O-])[C@H]1CO1 MCULE-6663734494 [1,0,0,1,0,0|1,0,1]=4 2213 B6R1.11 O=C([O-])[C@H]1CO1 MCULE-8580451361 [1,0,0,1,0,0|1,0,1]=4 2214 B6R1.4 NC1COC1=O MCULE-6998565452 [0,0,0,1,1,0|1,0,1]=4 2215 B6R1.4 N[C@@H]1COC1=O MCULE-8080548213 [0,0,0,1,1,0|1,0,1]=4 2216 B6R1.4 N[C@@H]1COC1=O MCULE-9370092691 [0,0,0,1,1,0|1,0,1]=4 2217 B6R1.4 N[C@H]1COC1=O MCULE-4812631526 [0,0,0,1,1,0|1,0,1]=4 2218 B6R1.4 [C@@H]1(COC1=O)N MCULE-7456320845 [0,0,0,1,1,0|1,0,1]=4 2219 B8R1.3 CC1=NNC(=O)CC1 MCULE-3548202908 [0,0,0,1,0,1|2,0,0]=4 2220 B8R1.3 O=C1C=CC(=O)NN1 MCULE-5100178532 [0,0,0,1,0,1|1,0,1]=4 2221 B8R1.3 O=C1CCC(=O)CC1 MCULE-5432049567 [0,0,0,1,0,1|2,0,0]=4 2222 B8R1.3 O=C1CCC(=O)NC1 MCULE-8297515560 [0,0,0,1,0,1|1,0,0]=3 2223 B8R1.3 O=C1CCC(=O)NN1 MCULE-3404255918 [0,0,0,1,0,1|1,0,0]=3 2224 B8R1.3 O=C1CCC(=O)OC1 MCULE-5478039984 [0,0,0,1,0,1|1,0,0]=3 2225 B8R1.3 O=C1CCC(CN1)O MCULE-4501886280 [0,0,0,1,0,1|1,0,1]=4 2226 B8R1.3 O=C1CC[C@@H](CN1)O MCULE-3426407148 [0,0,0,1,0,1|1,0,1]=4 2227 B8R1.3 O=C1CC[C@@H](CN1)O MCULE-9592320749 [0,0,0,1,0,1|1,0,1]=4 2228 B8R1.3 O=C1CC[C@H](CN1)O MCULE-1500705916 [0,0,0,1,0,1|1,0,1]=4 2229 B8R1.3 O=C1CC[C@H](CN1)O MCULE-9578240246 [0,0,0,1,0,1|1,0,1]=4 2230 B8R1.3 O=C1CNC(=O)CN1 MCULE-7134033861 [0,0,0,1,0,1|1,0,0]=3 2231 B8R1.3 O=C1COC(=O)CN1 MCULE-4171313774 [0,0,0,1,0,1|1,0,0]=3 2232 B8R1.3 O=C1COC(=O)CO1 MCULE-8927291216 [0,0,0,1,0,1|1,0,0]=3 2233 B8R1.3 O=C1N=CC(=CN1)O MCULE-9708220927 [0,0,0,1,0,1|1,0,1]=4 2234 B8R1.3 O=C1NCC(CN1)O MCULE-7019603243 [0,0,0,1,0,1|1,0,1]=4 2235 B8R1.23 C1(CC(=O)N1)C(=O)O MCULE-3416083471 [0,0,0,1,0,1|0,0,0]=2 2236 B8R1.23 C=C1CC(C1)C(=O)N MCULE-9592937262 [0,0,0,1,0,1|2,0,0]=4 2237 B8R1.23 C=C1CC(C1)C(=O)O MCULE-6435857280 [0,0,0,1,0,1|2,0,0]=4 2238 B8R1.23 CC(=O)N1CC(=O)C1 MCULE-4555368577 [0,0,0,1,0,1|2,0,0]=4 2239 B8R1.23 CC1CC(N1)C(=O)O MCULE-2803934033 [0,0,0,1,0,1|1,0,1]=4 2240 B8R1.23 C[C@@H]1C[C@H](N1)C(=O)O MCULE-6318758002 [0,0,0,1,0,1|1,0,1]=4 2241 B8R1.23 C[C@H]1C[C@H](N1)C(=O)O MCULE-2969381793 [0,0,0,1,0,1|1,0,1]=4 2242 B8R1.23 NC(=O)C1CC(C1)O MCULE-5735068093 [0,0,0,1,0,1|1,0,1]=4 2243 B8R1.23 NC(=O)N1CC(C1)O MCULE-8624777593 [0,0,0,1,0,1|1,0,1]=4 2244 B8R1.23 NC1CC(C1)C(=O)O MCULE-8750839632 [0,0,0,1,0,1|1,0,1]=4 2245 B8R1.23 NC1CC(C1)C(=O)O MCULE-9051964103 [0,0,0,1,0,1|1,0,1]=4 2246 B8R1.23 N[C@H]1C[C@@H](C1)C(=O)O MCULE-1844060803 [0,0,0,1,0,1|1,0,1]=4 2247 B8R1.23 N[C@H]1C[C@@H](C1)C(=O)O MCULE-2707924504 [0,0,0,1,0,1|1,0,1]=4 2248 B8R1.23 N[C@H]1C[C@H](C1)C(=O)O MCULE-3847725342 [0,0,0,1,0,1|1,0,1]=4 2249 B8R1.23 N[C@H]1C[C@H](C1)C(=O)O MCULE-4578532365 [0,0,0,1,0,1|1,0,1]=4 2250 B8R1.23 O=C1CC(C1)C(=O)Cl MCULE-5261758509 [0,0,0,1,0,1|2,0,0]=4 2251 B8R1.23 O=C1CC(C1)C(=O)O MCULE-8672788982 [0,0,0,1,0,1|1,0,0]=3 2252 B8R1.23 O=C1CC(N1)C(=O)O MCULE-3167823583 [0,0,0,1,0,1|0,0,0]=2 2253 B8R1.23 O=C1CC(O1)C(=O)O MCULE-1791104685 [0,0,0,1,0,1|1,0,0]=3 2254 B8R1.23 O=C1C[C@@H](N1)C(=O)O MCULE-2118093307 [0,0,0,1,0,1|0,0,0]=2 2255 B8R1.23 O=C1C[C@@H](N1)C(=O)O MCULE-7784171286 [0,0,0,1,0,1|0,0,0]=2 2256 B8R1.23 O=C1C[C@H](N1)C(=O)O MCULE-1255798587 [0,0,0,1,0,1|0,0,0]=2 2257 B8R1.23 O=C1C[C@H](N1)C(=O)O MCULE-6947698869 [0,0,0,1,0,1|0,0,0]=2 2258 B8R1.51 CP1(=O)CCC(=O)O1 MCULE-3689691243 [0,0,0,1,0,1|2,0,0]=4 2259 B8R1.51 O=C1CCS(=O)(=O)N1 MCULE-4505524753 [0,0,0,1,0,1|1,0,1]=4 2260 B8R1.51 O=C1CCS(=O)(=O)O1 MCULE-1696670151 [0,0,0,1,0,1|2,0,0]=4 2261 B8R1.1 CCC1=NNC(=O)C1 MCULE-8387854697 [0,1,0,1,0,0|2,0,0]=4 2262 B8R1.1 COC1=CC(=O)NC1 MCULE-1983848021 [0,1,0,1,0,0|1,0,1]=4 2263 B8R1.1 COC1CNC(=O)C1 MCULE-2023546447 [0,1,0,1,0,0|1,0,1]=4 2264 B8R1.1 NCC1=CC(=O)NO1 MCULE-1130806657 [0,1,0,1,0,0|1,0,1]=4 2265 B8R1.1 NCC1=NC(=O)ON1 MCULE-1736493364 [0,1,0,1,0,0|2,0,0]=4 2266 B8R1.1 NCC1=NC(=O)ON1 MCULE-9797025169 [0,1,0,1,0,0|2,0,0]=4 2267 B8R1.1 NCC1=NNC(=O)C1 MCULE-8086231553 [0,1,0,1,0,0|2,0,0]=4 2268 B8R1.1 O=C1CC(CN1)CO MCULE-8619053563 [0,1,0,1,0,0|1,0,1]=4 2269 B8R1.1 O=C1C[C@@H](CN1)CO MCULE-5572559100 [0,1,0,1,0,0|1,0,1]=4 2270 B8R1.1 O=C1C[C@H](CN1)CO MCULE-4450345453 [0,1,0,1,0,0|1,0,1]=4 2271 B8R1.1 O=C1N=C(NN1)CO MCULE-7949275954 [0,1,0,1,0,0|2,0,0]=4 2272 B8R1.1 O=CC1=CNC(=O)N1 MCULE-9682504518 [0,1,0,1,0,0|2,0,0]=4 2273 B8R1.1 O=CC1COC(=O)C1 MCULE-7312168752 [0,1,0,1,0,0|1,0,1]=4 2274 B8R1.4 CC1=CC(=O)NON1 MCULE-9289039883 [0,1,0,1,0,0|1,0,1]=4 2275 B8R1.4 NC1=CC(=O)COC1 MCULE-7765608843 [0,1,0,1,0,0|1,0,1]=4 2276 B8R1.4 NC1COCC(=O)C1 MCULE-4958107203 [0,1,0,1,0,0|1,0,1]=4 2277 B8R1.4 NC1COCC(=O)C1 MCULE-9645630994 [0,1,0,1,0,0|1,0,1]=4 2278 B8R1.4 N[C@@H]1COCC(=O)C1 MCULE-3299834957 [0,1,0,1,0,0|1,0,1]=4 2279 B8R1.4 N[C@@H]1COCC(=O)C1 MCULE-6683156371 [0,1,0,1,0,0|1,0,1]=4 2280 B8R1.4 O=C1C=CNC(=O)C1 MCULE-7422070219 [0,1,0,1,0,0|1,0,0]=3 2281 B8R1.4 O=C1C=CNC(=O)O1 MCULE-3791093466 [0,1,0,1,0,0|2,0,0]=4 2282 B8R1.4 O=C1C=COC(=O)C1 MCULE-9289887221 [0,1,0,1,0,0|1,0,0]=3 2283 B8R1.4 O=C1CC(=O)NC=N1 MCULE-1818472509 [0,1,0,1,0,0|1,0,0]=3 2284 B8R1.4 O=C1CC(CCN1)O MCULE-5400068518 [0,1,0,1,0,0|1,0,1]=4 2285 B8R1.4 O=C1CC(CCN1)O MCULE-8702086069 [0,1,0,1,0,0|1,0,1]=4 2286 B8R1.4 O=C1CCCC(=O)C1 MCULE-7494421285 [0,1,0,1,0,0|2,0,0]=4 2287 B8R1.4 O=C1CCNC(=O)C1 MCULE-7662080105 [0,1,0,1,0,0|1,0,0]=3 2288 B8R1.4 O=C1CCNC(=O)N1 MCULE-8986910982 [0,1,0,1,0,0|2,0,0]=4 2289 B8R1.4 O=C1CCNC(=O)O1 MCULE-8298722634 [0,1,0,1,0,0|2,0,0]=4 2290 B8R1.4 O=C1CCOC(=O)C1 MCULE-3134133687 [0,1,0,1,0,0|1,0,0]=3 2291 B8R1.4 O=C1CNCC(=O)C1 MCULE-9390215509 [0,1,0,1,0,0|1,0,0]=3 2292 B8R1.4 O=C1CNCC(=O)C1 MCULE-9631657912 [0,1,0,1,0,0|1,0,0]=3 2293 B8R1.4 O=C1CNCC(=O)N1 MCULE-2684405909 [0,1,0,1,0,0|2,0,0]=4 2294 B8R1.4 O=C1CNCC(=O)N1 MCULE-8918860650 [0,1,0,1,0,0|2,0,0]=4 2295 B8R1.4 O=C1COCC(=O)C1 MCULE-1763175933 [0,1,0,1,0,0|1,0,0]=3 2296 B8R1.4 O=C1COCC(=O)N1 MCULE-2640203723 [0,1,0,1,0,0|2,0,0]=4 2297 B8R1.4 O=C1COCC(=O)O1 MCULE-7640970930 [0,1,0,1,0,0|2,0,0]=4 2298 B8R1.4 O=C1CSCC(=O)C1 MCULE-7749510849 [0,1,0,1,0,0|1,1,0]=4 2299 B8R1.4 O=C1C[C@@H](CCN1)O MCULE-8279613188 [0,1,0,1,0,0|1,0,1]=4 2300 B8R1.4 O=C1C[C@@H](CCN1)O MCULE-9911849866 [0,1,0,1,0,0|1,0,1]=4 2301 B8R1.4 O=C1C[C@H](CCN1)O MCULE-3843806479 [0,1,0,1,0,0|1,0,1]=4 2302 B8R1.4 O=C1C[C@H](CCN1)O MCULE-9127195212 [0,1,0,1,0,0|1,0,1]=4 2303 B8R1.4 O=C1N=CNC(=O)N1 MCULE-2256730820 [0,1,0,1,0,0|2,0,0]=4 2304 B8R1.4 O=C1NCNC(=O)N1 MCULE-7478557250 [0,1,0,1,0,0|2,0,0]=4 2305 B8R1.4 O=C1[CH-]C(=O)COC1 MCULE-6235987509 [0,1,0,1,0,0|1,0,1]=4 2306 B8R1.4 O=C1[CH-]C(=O)COC1 MCULE-9016019550 [0,1,0,1,0,0|1,0,1]=4 2307 B8R1.18 C=C1CC(=O)OC1=O MCULE-1819893564 [0,1,0,1,0,0|1,0,0]=3 2308 B8R1.18 CC1=CC(=O)NC1=O MCULE-3109096484 [0,1,0,1,0,0|1,0,1]=4 2309 B8R1.18 CC1=CC(=O)OC1=O MCULE-1735822163 [0,1,0,1,0,0|1,0,1]=4 2310 B8R1.18 CC1=NN(C(=O)C1)C MCULE-3316902396 [0,1,0,1,0,0|2,0,0]=4 2311 B8R1.18 CC1CC(=O)NC1=O MCULE-2962850802 [0,1,0,1,0,0|1,0,1]=4 2312 B8R1.18 CC1CC(=O)OC1=O MCULE-6043315810 [0,1,0,1,0,0|1,0,1]=4 2313 B8R1.18 CC1NC(=O)CC1=O MCULE-3973500509 [0,1,0,1,0,0|1,0,0]=3 2314 B8R1.18 CC1NC(=O)CC1O MCULE-6370955032 [0,1,0,1,0,0|1,0,1]=4 2315 B8R1.18 CC1NC(=O)NC1=O MCULE-4619149186 [0,1,0,1,0,0|2,0,0]=4 2316 B8R1.18 CC1NC(=O)OC1=O MCULE-5437194910 [0,1,0,1,0,0|2,0,0]=4 2317 B8R1.18 CC1NC(=O)OC1=O MCULE-6711218397 [0,1,0,1,0,0|2,0,0]=4 2318 B8R1.18 CC1OC(=O)NC1=O MCULE-8191598152 [0,1,0,1,0,0|2,0,0]=4 2319 B8R1.18 CN1CC(=O)CC1=O MCULE-9941627549 [0,1,0,1,0,0|1,0,0]=3 2320 B8R1.18 CN1CC(=O)NC1=O MCULE-6246850639 [0,1,0,1,0,0|2,0,0]=4 2321 B8R1.18 CN1CC(=O)OC1=O MCULE-7537862268 [0,1,0,1,0,0|2,0,0]=4 2322 B8R1.18 CN1CC(CC1=O)O MCULE-3900359646 [0,1,0,1,0,0|1,0,1]=4 2323 B8R1.18 CN1C[C@@H](CC1=O)O MCULE-6983684031 [0,1,0,1,0,0|1,0,1]=4 2324 B8R1.18 CN1C[C@@H](CC1=O)O MCULE-9036883490 [0,1,0,1,0,0|1,0,1]=4 2325 B8R1.18 CN1C[C@H](CC1=O)O MCULE-1129246553 [0,1,0,1,0,0|1,0,1]=4 2326 B8R1.18 CN1C[C@H](CC1=O)O MCULE-3762455862 [0,1,0,1,0,0|1,0,1]=4 2327 B8R1.18 CN1N=C(CC1=O)Br MCULE-9723014196 [0,1,0,1,0,0|2,0,0]=4 2328 B8R1.18 CN1NC(=N)CC1=O MCULE-1189353766 [0,1,0,1,0,0|2,0,0]=4 2329 B8R1.18 CN1OC(=CC1=O)N MCULE-9415679355 [0,1,0,1,0,0|1,0,1]=4 2330 B8R1.18 CN1OC(=O)C=C1N MCULE-3196224067 [0,1,0,1,0,0|1,0,1]=4 2331 B8R1.18 C[C@@H]1CC(=O)NC1=O MCULE-9043552998 [0,1,0,1,0,0|1,0,1]=4 2332 B8R1.18 C[C@@H]1NC(=O)C[C@@H]1O MCULE-5647492108 [0,1,0,1,0,0|1,0,1]=4 2333 B8R1.18 C[C@@H]1NC(=O)NC1=O MCULE-1126054848 [0,1,0,1,0,0|2,0,0]=4 2334 B8R1.18 C[C@@H]1NC(=O)OC1=O MCULE-3338806314 [0,1,0,1,0,0|2,0,0]=4 2335 B8R1.18 C[C@@H]1NC(=O)OC1=O MCULE-9892061668 [0,1,0,1,0,0|2,0,0]=4 2336 B8R1.18 C[C@H]1CC(=O)OC1=O MCULE-7764909201 [0,1,0,1,0,0|1,0,1]=4 2337 B8R1.18 C[C@H]1NC(=O)NC1=O MCULE-5443325319 [0,1,0,1,0,0|2,0,0]=4 2338 B8R1.18 C[C@H]1NC(=O)OC1=O MCULE-2658468572 [0,1,0,1,0,0|2,0,0]=4 2339 B8R1.18 C[C@H]1NC(=O)OC1=O MCULE-9205776561 [0,1,0,1,0,0|2,0,0]=4 2340 B8R1.18 NC1CC(=O)NC1=O MCULE-6692452440 [0,1,0,1,0,0|1,0,1]=4 2341 B8R1.18 NC1CC(=O)NC1=O MCULE-8447671567 [0,1,0,1,0,0|1,0,1]=4 2342 B8R1.18 NC1CC(=O)OC1=O MCULE-1406790351 [0,1,0,1,0,0|0,0,1]=3 2343 B8R1.18 NC1CC(=O)OC1=O MCULE-2807590870 [0,1,0,1,0,0|0,0,1]=3 2344 B8R1.18 NC1SC(=O)NC1=O MCULE-8460816262 [0,1,0,1,0,0|1,1,0]=4 2345 B8R1.18 NN1CC(=O)NC1=O MCULE-6319474334 [0,1,0,1,0,0|2,0,0]=4 2346 B8R1.18 NN1CC(=O)NC1=O MCULE-7370713803 [0,1,0,1,0,0|2,0,0]=4 2347 B8R1.18 N[C@@H]1CC(=O)NC1=O MCULE-1292090753 [0,1,0,1,0,0|1,0,1]=4 2348 B8R1.18 N[C@@H]1CC(=O)NC1=O MCULE-9676397018 [0,1,0,1,0,0|1,0,1]=4 2349 B8R1.18 N[C@@H]1CC(=O)OC1=O MCULE-1937927503 [0,1,0,1,0,0|0,0,1]=3 2350 B8R1.18 N[C@@H]1CC(=O)OC1=O MCULE-2080587685 [0,1,0,1,0,0|0,0,1]=3 2351 B8R1.18 N[C@@H]1CC(=O)OC1=O MCULE-8793349665 [0,1,0,1,0,0|0,0,1]=3 2352 B8R1.18 N[C@@H]1CC(=O)OC1=O MCULE-9640337170 [0,1,0,1,0,0|0,0,1]=3 2353 B8R1.18 N[C@H]1CC(=O)NC1=O MCULE-1052396743 [0,1,0,1,0,0|1,0,1]=4 2354 B8R1.18 N[C@H]1CC(=O)NC1=O MCULE-1965803095 [0,1,0,1,0,0|1,0,1]=4 2355 B8R1.18 N[C@H]1CC(=O)OC1=O MCULE-3191926438 [0,1,0,1,0,0|0,0,1]=3 2356 B8R1.18 N[C@H]1CC(=O)OC1=O MCULE-4503342222 [0,1,0,1,0,0|0,0,1]=3 2357 B8R1.18 O=C1C=C(C(=O)N1)Br MCULE-6173415556 [0,1,0,1,0,0|1,0,1]=4 2358 B8R1.18 O=C1C=C(C(=O)O1)Br MCULE-2984870530 [0,1,0,1,0,0|1,0,1]=4 2359 B8R1.18 O=C1C=C(C(N1)O)Br MCULE-4783191833 [0,1,0,1,0,0|1,0,1]=4 2360 B8R1.18 O=C1CC(=C(O1)Br)O MCULE-8632709834 [0,1,0,1,0,0|1,0,1]=4 2361 B8R1.18 O=C1NC(=O)C(=O)N1 MCULE-1683872231 [0,1,0,1,0,0|1,0,1]=4 2362 B8R1.18 O=C1NC(=O)C(N1)Br MCULE-9177153028 [0,1,0,1,0,0|2,0,0]=4 2363 B8R1.31 C=C1CCC1C(=O)O MCULE-7307560863 [0,1,0,1,0,0|2,0,0]=4 2364 B8R1.31 CC1CNC1C(=O)O MCULE-4084486339 [0,1,0,1,0,0|1,0,1]=4 2365 B8R1.31 CC1NCC1C(=O)O MCULE-3701314568 [0,1,0,1,0,0|1,0,1]=4 2366 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O MCULE-6870930523 [0,1,0,1,0,0|1,0,1]=4 2367 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O MCULE-9495962068 [0,1,0,1,0,0|1,0,1]=4 2368 B8R1.31 C[C@@H]1NC[C@H]1C(=O)O MCULE-4996743185 [0,1,0,1,0,0|1,0,1]=4 2369 B8R1.31 C[C@@H]1NC[C@H]1C(=O)O MCULE-5548697786 [0,1,0,1,0,0|1,0,1]=4 2370 B8R1.31 NC1CCC1C(=O)O MCULE-1271890671 [0,1,0,1,0,0|1,0,1]=4 2371 B8R1.31 NC1CCC1C(=O)O MCULE-6203451123 [0,1,0,1,0,0|1,0,1]=4 2372 B8R1.31 N[C@@H]1CC[C@@H]1C(=O)O MCULE-7309195085 [0,1,0,1,0,0|1,0,1]=4 2373 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O MCULE-1231832702 [0,1,0,1,0,0|1,0,1]=4 2374 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O MCULE-4120413857 [0,1,0,1,0,0|1,0,1]=4 2375 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O MCULE-7581321099 [0,1,0,1,0,0|1,0,1]=4 2376 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O MCULE-8814127531 [0,1,0,1,0,0|1,0,1]=4 2377 B8R1.31 N[C@H]1CC[C@@H]1C(=O)O MCULE-1877122488 [0,1,0,1,0,0|1,0,1]=4 2378 B8R1.31 N[C@H]1CC[C@H]1C(=O)O MCULE-2323153571 [0,1,0,1,0,0|1,0,1]=4 2379 B8R1.31 N[C@H]1CC[C@H]1C(=O)O MCULE-3627026930 [0,1,0,1,0,0|1,0,1]=4 2380 B8R1.31 N[C@H]1CC[C@H]1C(=O)O MCULE-3814908416 [0,1,0,1,0,0|1,0,1]=4 2381 B8R1.31 N[C@H]1CC[C@H]1C(=O)O MCULE-8552378194 [0,1,0,1,0,0|1,0,1]=4 2382 B8R1.31 [C@@H]1(CC[C@@H]1C(=O)O)N MCULE-3693378535 [0,1,0,1,0,0|1,0,1]=4 2383 B8R1.31 [C@@H]1(CC[C@@H]1C(=O)O)N MCULE-4998471402 [0,1,0,1,0,0|1,0,1]=4 2384 B8R1.31 [C@@H]1(CC[C@H]1C(=O)O)N MCULE-1179436878 [0,1,0,1,0,0|1,0,1]=4 2385 B8R1.31 [C@@H]1(CC[C@H]1C(=O)O)N MCULE-6666180327 [0,1,0,1,0,0|1,0,1]=4 2386 B8R1.31 [C@@H]1(NC[C@H]1C)C(=O)O MCULE-4107819391 [0,1,0,1,0,0|1,0,1]=4 2387 B8R1.34 O=C(O)CC1CCN1 MCULE-4161960358 [0,1,0,1,0,0|1,0,1]=4 2388 B8R1.34 O=C(O)CC1CNC1 MCULE-4671495498 [0,1,0,1,0,0|1,0,1]=4 2389 B8R1.34 O=C(O)CC1CNC1 MCULE-5456583939 [0,1,0,1,0,0|1,0,1]=4 2390 B8R1.34 O=C(O)CC1CNC1 MCULE-9655427403 [0,1,0,1,0,0|1,0,1]=4 2391 B8R1.42 NC1(CC1)CC(=O)O MCULE-3593224967 [0,1,0,1,0,0|1,0,1]=4 2392 B8R1.42 NC1(CC1)CC(=O)O MCULE-8049209917 [0,1,0,1,0,0|1,0,1]=4 2393 B8R1.43 NC(=O)C1CC1CO MCULE-3191620985 [0,1,0,1,0,0|1,0,1]=4 2394 B8R1.43 NCC1CC1C(=O)O MCULE-8216751454 [0,1,0,1,0,0|1,0,1]=4 2395 B8R1.43 NC[C@@H]1C[C@H]1C(=O)O MCULE-3415372050 [0,1,0,1,0,0|1,0,1]=4 2396 B8R1.43 NC[C@@H]1C[C@H]1C(=O)O MCULE-6765918556 [0,1,0,1,0,0|1,0,1]=4 2397 B8R1.50 CC1=C(C(=O)NO1)Cl MCULE-8820928279 [0,1,0,1,0,0|1,0,1]=4 2398 B8R1.50 CC1=NNC(=O)C1Br MCULE-4287701930 [0,1,0,1,0,0|2,0,0]=4 2399 B8R1.50 CC1=NNC(=O)C1C MCULE-5835053937 [0,1,0,1,0,0|2,0,0]=4 2400 B8R1.50 CC1=NOC(=O)C1C MCULE-6668573558 [0,1,0,1,0,0|1,0,1]=4 2401 B8R1.50 CC1C(=O)CCC1=O MCULE-4418458735 [0,1,0,1,0,0|2,0,0]=4 2402 B8R1.50 CC1C(=O)COC1=O MCULE-4188541096 [0,1,0,1,0,0|1,0,0]=3 2403 B8R1.50 CN1C(=O)CNC1=O MCULE-8997643894 [0,1,0,1,0,0|2,0,0]=4 2404 B8R1.50 CN1C(=O)COC1=O MCULE-1190604947 [0,1,0,1,0,0|2,0,0]=4 2405 B8R1.50 CN1C(=O)NNC1=O MCULE-9990504316 [0,1,0,1,0,0|2,0,0]=4 2406 B8R1.50 NN1C(=O)CNC1=O MCULE-3172416594 [0,1,0,1,0,0|2,0,0]=4 2407 B8R1.50 NN1C(=O)NNC1=O MCULE-6234762498 [0,1,0,1,0,0|2,0,0]=4 2408 B8R1.50 N[C@@H]1C(=O)NC[C@H]1O MCULE-6840872048 [0,1,0,1,0,0|1,0,1]=4 2409 B8R1.50 O=C1CCC(=O)C1Br MCULE-7463233898 [0,1,0,1,0,0|2,0,0]=4 2410 B8R1.50 O=C1CCC(=O)C1Cl MCULE-9440848782 [0,1,0,1,0,0|2,0,0]=4 2411 B8R1.50 O=C1COC(=O)C1Br MCULE-7458581655 [0,1,0,1,0,0|1,0,0]=3 2412 B8R1.50 O=C1COC(=O)C1Cl MCULE-1326411169 [0,1,0,1,0,0|1,0,0]=3 2413 B8R0.28 C=C(Br)CCCC(=O)O MCULE-5394609034 [0,0,0,0,0,2|2,0,0]=4 2414 B8R0.28 C=C(C)CCCC(=O)O MCULE-1282031449 [0,0,0,0,0,2|2,0,0]=4 2415 B8R0.28 C=C(Cl)CCCC(=O)O MCULE-9525654231 [0,0,0,0,0,2|2,0,0]=4 2416 B8R0.28 CC(=CCCC(=O)O)C MCULE-5848388333 [0,0,0,0,0,2|2,0,0]=4 2417 B8R0.28 CC(=O)CC=CC(=O)O MCULE-9526483708 [0,0,0,0,0,2|1,0,0]=3 2418 B8R0.28 CC(=O)CCCC(=O)C MCULE-9250637004 [0,0,0,0,0,2|2,0,0]=4 2419 B8R0.28 CC(=O)CCCC(=O)N MCULE-8753142022 [0,0,0,0,0,2|1,0,0]=3 2420 B8R0.28 CC(=O)CCCC(=O)O MCULE-2498129200 [0,0,0,0,0,2|1,0,0]=3 2421 B8R0.28 CC(=O)CCOC(=O)C MCULE-5123903575 [0,0,0,0,0,2|2,0,0]=4 2422 B8R0.28 CC(=O)COCC(=O)C MCULE-1945925794 [0,0,0,0,0,2|2,0,0]=4 2423 B8R0.28 CC(=O)NCCC(=O)N MCULE-6090839432 [0,0,0,0,0,2|1,0,0]=3 2424 B8R0.28 CC(=O)NCCC(=O)O MCULE-8867286578 [0,0,0,0,0,2|1,0,0]=3 2425 B8R0.28 CC(=O)NCNC(=O)C MCULE-3469911833 [0,0,0,0,0,2|2,0,0]=4 2426 B8R0.28 CC(=O)OCCC(=O)O MCULE-6617841906 [0,0,0,0,0,2|1,0,0]=3 2427 B8R0.28 CC(=O)OCOC(=O)C MCULE-9458993444 [0,0,0,0,0,2|2,0,0]=4 2428 B8R0.28 CC(=O)SCCC(=O)Cl MCULE-7772328654 [0,0,0,0,0,2|2,0,0]=4 2429 B8R0.28 CC(=O)SCCC(=O)O MCULE-2263963171 [0,0,0,0,0,2|1,0,0]=3 2430 B8R0.28 N/C(=N/N=CC(=O)O)/S MCULE-8699765131 [0,0,0,0,0,2|0,1,1]=4 2431 B8R0.28 N=C(N)NCCC(=O)O MCULE-6783592689 [0,0,0,0,0,2|1,0,0]=3 2432 B8R0.28 N=C(N)S/C=C\C(=O)O MCULE-1708035663 [0,0,0,0,0,2|1,0,1]=4 2433 B8R0.28 N=C(N)S/C=C\C(=O)O MCULE-2482978602 [0,0,0,0,0,2|1,0,1]=4 2434 B8R0.28 N=C(N)SC=CC(=O)O MCULE-5337300674 [0,0,0,0,0,2|1,0,1]=4 2435 B8R0.28 N=C(N)SC=CC(=O)O MCULE-6588794853 [0,0,0,0,0,2|1,0,1]=4 2436 B8R0.28 N=C(N)SCCC(=O)O MCULE-6820090813 [0,0,0,0,0,2|1,0,0]=3 2437 B8R0.28 N=C(N)SCCC(=O)O MCULE-9820250060 [0,0,0,0,0,2|1,0,0]=3 2438 B8R0.28 N=C(S)NCCC(=O)O MCULE-7149670288 [0,0,0,0,0,2|0,1,1]=4 2439 B8R0.28 NC(=O)CCCC(=O)N MCULE-8380308624 [0,0,0,0,0,2|1,0,0]=3 2440 B8R0.28 NC(=O)CCCC(=O)O MCULE-9714346244 [0,0,0,0,0,2|0,0,0]=2 2441 B8R0.28 NC(=O)CCCN(=O)=O MCULE-8220881093 [0,0,0,0,0,2|1,0,1]=4 2442 B8R0.28 NC(=O)CNCC(=O)N MCULE-7451569201 [0,0,0,0,0,2|1,0,0]=3 2443 B8R0.28 NC(=O)CNCC(=O)O MCULE-2816922286 [0,0,0,0,0,2|0,0,0]=2 2444 B8R0.28 NC(=O)COCC(=O)O MCULE-3868584388 [0,0,0,0,0,2|0,0,0]=2 2445 B8R0.28 NC(=O)CSCC(=O)N MCULE-1673116541 [0,0,0,0,0,2|1,0,0]=3 2446 B8R0.28 NC(=O)CSCC(=O)O MCULE-1419621262 [0,0,0,0,0,2|0,0,0]=2 2447 B8R0.28 NC(=O)NC=CC(=O)O MCULE-5004188805 [0,0,0,0,0,2|0,0,1]=3 2448 B8R0.28 NC(=O)NCCC(=O)O MCULE-3799706782 [0,0,0,0,0,2|0,0,0]=2 2449 B8R0.28 NC(=O)NCNC(=O)N MCULE-2324881355 [0,0,0,0,0,2|1,0,0]=3 2450 B8R0.28 NC(=O)NN=CC(=O)O MCULE-1954165276 [0,0,0,0,0,2|0,0,1]=3 2451 B8R0.28 NC(=S)SCCC(=O)O MCULE-1371836153 [0,0,0,0,0,2|0,1,0]=3 2452 B8R0.28 O=C(Cl)CCCC(=O)Cl MCULE-6157663188 [0,0,0,0,0,2|2,0,0]=4 2453 B8R0.28 O=C(Cl)COCC(=O)Cl MCULE-4828514058 [0,0,0,0,0,2|2,0,0]=4 2454 B8R0.28 O=C(O)/C=C/CC(=O)O MCULE-3754065542 [0,0,0,0,0,2|1,0,0]=3 2455 B8R0.28 O=C(O)C=CCC(=O)O MCULE-2034660220 [0,0,0,0,0,2|1,0,0]=3 2456 B8R0.28 O=C(O)CCCC(=O)O MCULE-4286022994 [0,0,0,0,0,2|1,0,0]=3 2457 B8R0.28 O=C(O)CCCN(=O)=O MCULE-2601801792 [0,0,0,0,0,2|2,0,0]=4 2458 B8R0.28 O=C(O)CNCC(=O)O MCULE-4131542591 [0,0,0,0,0,2|1,0,0]=3 2459 B8R0.28 O=C(O)COCC(=O)O MCULE-5687758679 [0,0,0,0,0,2|1,0,0]=3 2460 B8R0.28 O=C(O)CSCC(=O)O MCULE-8112166808 [0,0,0,0,0,2|1,0,0]=3 2461 B8R0.28 O=C([O-])CCCC(=O)[O-] MCULE-3809476672 [0,0,0,0,0,2|1,0,1]=4 2462 B8R0.28 O=C([O-])CNCC(=O)[O-] MCULE-1067264838 [0,0,0,0,0,2|1,0,1]=4 2463 B8R0.28 O=C([O-])COCC(=O)O MCULE-3773620396 [0,0,0,0,0,2|1,0,0]=3 2464 B8R0.28 O=C([O-])COCC(=O)O MCULE-5768077440 [0,0,0,0,0,2|1,0,0]=3 2465 B8R0.28 [NH2+](CC(=O)N)CC(=O)N MCULE-7548046822 [0,0,0,0,0,2|1,0,0]=3