0 B6R0.2 C=C(C)CC(=O)C MCULE-3534735279 [0,0,0,0,0,0|3,0,0]=3 1 B6R0.2 C=C(C)CC(=O)O MCULE-5404023928 [0,0,0,0,0,0|2,0,0]=2 2 B6R0.2 C=C(C)C[C@@H](C)O MCULE-8518319636 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.2 C=C(C)C[C@H](C)O MCULE-7139115019 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.2 C=C(C)OC(=O)C MCULE-9345377025 [0,0,0,0,0,0|4,0,0]=4 5 B6R0.2 C=C(I)CC(=O)O MCULE-3849925169 [0,0,0,0,0,0|2,0,0]=2 6 B6R0.2 CC(=CC(=O)Cl)C MCULE-7644585609 [0,0,0,0,0,0|3,0,1]=4 7 B6R0.2 CC(=CC(=O)N)C MCULE-6264319579 [0,0,0,0,0,0|3,0,1]=4 8 B6R0.2 CC(=CC(=O)O)C MCULE-4772426340 [0,0,0,0,0,0|2,0,1]=3 9 B6R0.2 CC(=CC(=O)O)Cl MCULE-7503760292 [0,0,0,0,0,0|2,0,1]=3 10 B6R0.2 CC(=CC(=O)O)I MCULE-2652373771 [0,0,0,0,0,0|2,0,1]=3 11 B6R0.2 CC(=CC(=O)O)N MCULE-5894724848 [0,0,0,0,0,0|2,0,1]=3 12 B6R0.2 CC(=N)CC(=O)C MCULE-4678643052 [0,0,0,0,0,0|3,0,0]=3 13 B6R0.2 CC(=O)/C=C(/C)\N MCULE-1235186190 [0,0,0,0,0,0|3,0,1]=4 14 B6R0.2 CC(=O)/C=C(/C)\[O-] MCULE-3445340105 [0,0,0,0,0,0|2,0,2]=4 15 B6R0.2 CC(=O)/C=C(/C)\[O-] MCULE-7833799417 [0,0,0,0,0,0|2,0,2]=4 16 B6R0.2 CC(=O)/C=C(\C)/N MCULE-6412393370 [0,0,0,0,0,0|3,0,1]=4 17 B6R0.2 CC(=O)C=C(C)C MCULE-4922478422 [0,0,0,0,0,0|3,0,1]=4 18 B6R0.2 CC(=O)C=C(C)N MCULE-2247743178 [0,0,0,0,0,0|3,0,1]=4 19 B6R0.2 CC(=O)C=C(C)O MCULE-7345258397 [0,0,0,0,0,0|2,0,1]=3 20 B6R0.2 CC(=O)C=C(C)[O-] MCULE-7733093724 [0,0,0,0,0,0|2,0,2]=4 21 B6R0.2 CC(=O)CC(=O)C MCULE-6481204381 [0,0,0,0,0,0|2,0,0]=2 22 B6R0.2 CC(=O)CC(=O)N MCULE-1618058771 [0,0,0,0,0,0|2,0,0]=2 23 B6R0.2 CC(=O)CC(=O)O MCULE-2601276539 [0,0,0,0,0,0|1,0,0]=1 24 B6R0.2 CC(=O)CC(=O)[O-] MCULE-6317885864 [0,0,0,0,0,0|1,0,1]=2 25 B6R0.2 CC(=O)CC(=O)[O-] MCULE-8448177875 [0,0,0,0,0,0|1,0,1]=2 26 B6R0.2 CC(=O)CC(C)C MCULE-2172909634 [0,0,0,0,0,0|3,0,1]=4 27 B6R0.2 CC(=O)CC(C)N MCULE-1028280795 [0,0,0,0,0,0|3,0,1]=4 28 B6R0.2 CC(=O)CC(C)N MCULE-7911343070 [0,0,0,0,0,0|3,0,1]=4 29 B6R0.2 CC(=O)CC(C)O MCULE-5175367575 [0,0,0,0,0,0|2,0,1]=3 30 B6R0.2 CC(=O)CN(=O)=O MCULE-3153232896 [0,0,0,0,0,0|2,0,1]=3 31 B6R0.2 CC(=O)CN(C)C MCULE-8561521241 [0,0,0,0,0,0|4,0,0]=4 32 B6R0.2 CC(=O)C[C@@H](C)N MCULE-1260669737 [0,0,0,0,0,0|3,0,1]=4 33 B6R0.2 CC(=O)C[C@@H](C)N MCULE-6556661125 [0,0,0,0,0,0|3,0,1]=4 34 B6R0.2 CC(=O)NC(=N)N MCULE-9300028018 [0,0,0,0,0,0|4,0,0]=4 35 B6R0.2 CC(=O)NC(=O)C MCULE-3040534108 [0,0,0,0,0,0|3,0,0]=3 36 B6R0.2 CC(=O)NC(=O)N MCULE-8999775359 [0,0,0,0,0,0|3,0,0]=3 37 B6R0.2 CC(=O)NC(=S)N MCULE-8448117000 [0,0,0,0,0,0|3,1,0]=4 38 B6R0.2 CC(=O)OC(=O)C MCULE-9184217748 [0,0,0,0,0,0|3,0,0]=3 39 B6R0.2 CC(=O)SC(=O)C MCULE-5749449964 [0,0,0,0,0,0|3,0,0]=3 40 B6R0.2 CC(=O)[CH-]C(=O)C MCULE-4855074933 [0,0,0,0,0,0|2,0,1]=3 41 B6R0.2 CC(=O)[CH-]C(=O)C MCULE-6905854247 [0,0,0,0,0,0|2,0,1]=3 42 B6R0.2 CC(Br)CC(=O)O MCULE-3353526571 [0,0,0,0,0,0|2,0,1]=3 43 B6R0.2 CC(C)CC(=O)Cl MCULE-8821231794 [0,0,0,0,0,0|3,0,1]=4 44 B6R0.2 CC(C)CC(=O)N MCULE-7790849976 [0,0,0,0,0,0|3,0,1]=4 45 B6R0.2 CC(C)CC(=O)O MCULE-5805071360 [0,0,0,0,0,0|2,0,1]=3 46 B6R0.2 CC(Cl)CC(=O)Cl MCULE-3323045052 [0,0,0,0,0,0|3,0,1]=4 47 B6R0.2 CC(Cl)CC(=O)O MCULE-1436146199 [0,0,0,0,0,0|2,0,1]=3 48 B6R0.2 CC(F)CC(=O)O MCULE-9214258715 [0,0,0,0,0,0|2,0,1]=3 49 B6R0.2 CC(N)CC(=O)N MCULE-8604112274 [0,0,0,0,0,0|3,0,1]=4 50 B6R0.2 CC(N)CC(=O)N MCULE-8651032460 [0,0,0,0,0,0|3,0,1]=4 51 B6R0.2 CC(N)CC(=O)O MCULE-2960589915 [0,0,0,0,0,0|2,0,1]=3 52 B6R0.2 CC(N)CC(=O)O MCULE-5772407106 [0,0,0,0,0,0|2,0,1]=3 53 B6R0.2 CC(N)CC(=O)O MCULE-7818257350 [0,0,0,0,0,0|2,0,1]=3 54 B6R0.2 CC(N)CC(=O)O MCULE-7847644131 [0,0,0,0,0,0|2,0,1]=3 55 B6R0.2 CC(O)CC(=O)N MCULE-7442557911 [0,0,0,0,0,0|2,0,1]=3 56 B6R0.2 CC(O)CC(=O)O MCULE-3566732882 [0,0,0,0,0,0|1,0,1]=2 57 B6R0.2 CC(O)CC(=O)O MCULE-6537877725 [0,0,0,0,0,0|1,0,1]=2 58 B6R0.2 CC(O)CC(=O)[O-] MCULE-1109368801 [0,0,0,0,0,0|1,0,2]=3 59 B6R0.2 CC(O)CC(=O)[O-] MCULE-5681138302 [0,0,0,0,0,0|1,0,2]=3 60 B6R0.2 CC(O)CC(C)O MCULE-1652556328 [0,0,0,0,0,0|2,0,2]=4 61 B6R0.2 CC(O)CN(=O)=O MCULE-1592317283 [0,0,0,0,0,0|2,0,2]=4 62 B6R0.2 CC(O)CS(=O)C MCULE-2365161952 [0,0,0,0,0,0|3,0,1]=4 63 B6R0.2 CN(C)CC(=O)Cl MCULE-2168217529 [0,0,0,0,0,0|4,0,0]=4 64 B6R0.2 CN(C)CC(=O)Cl MCULE-6810056185 [0,0,0,0,0,0|4,0,0]=4 65 B6R0.2 CN(C)CC(=O)N MCULE-3894706713 [0,0,0,0,0,0|4,0,0]=4 66 B6R0.2 CN(C)CC(=O)O MCULE-2303978039 [0,0,0,0,0,0|3,0,0]=3 67 B6R0.2 CN(C)CC(=O)O MCULE-3368936600 [0,0,0,0,0,0|3,0,0]=3 68 B6R0.2 CN(C)CC(=O)[O-] MCULE-3077067854 [0,0,0,0,0,0|3,0,1]=4 69 B6R0.2 C[C@@H](N)CC(=O)O MCULE-2652696372 [0,0,0,0,0,0|2,0,1]=3 70 B6R0.2 C[C@@H](N)CC(=O)O MCULE-7054489636 [0,0,0,0,0,0|2,0,1]=3 71 B6R0.2 C[C@@H](N)CC(=O)O MCULE-7621851215 [0,0,0,0,0,0|2,0,1]=3 72 B6R0.2 C[C@@H](N)CC(=O)O MCULE-8671397640 [0,0,0,0,0,0|2,0,1]=3 73 B6R0.2 C[C@@H](O)CC(=O)O MCULE-2545577683 [0,0,0,0,0,0|1,0,1]=2 74 B6R0.2 C[C@@H](O)CC(=O)O MCULE-4159227891 [0,0,0,0,0,0|1,0,1]=2 75 B6R0.2 C[C@@H](O)CC(=O)[O-] MCULE-7081161048 [0,0,0,0,0,0|1,0,2]=3 76 B6R0.2 C[C@@H](O)CC(=O)[O-] MCULE-7886150665 [0,0,0,0,0,0|1,0,2]=3 77 B6R0.2 C[C@@H](O)C[C@@H](C)O MCULE-3504626196 [0,0,0,0,0,0|2,0,2]=4 78 B6R0.2 C[C@@H](O)C[C@@H](C)O MCULE-4671148975 [0,0,0,0,0,0|2,0,2]=4 79 B6R0.2 C[C@@H](O)C[C@@H](C)O MCULE-8345849773 [0,0,0,0,0,0|2,0,2]=4 80 B6R0.2 C[C@H](Br)CC(=O)O MCULE-1601745040 [0,0,0,0,0,0|2,0,1]=3 81 B6R0.2 C[C@H](Br)CC(=O)O MCULE-2894930407 [0,0,0,0,0,0|2,0,1]=3 82 B6R0.2 C[C@H](N)CC(=O)O MCULE-2656839691 [0,0,0,0,0,0|2,0,1]=3 83 B6R0.2 C[C@H](N)CC(=O)O MCULE-4695512293 [0,0,0,0,0,0|2,0,1]=3 84 B6R0.2 C[C@H](N)CC(=O)O MCULE-5288044169 [0,0,0,0,0,0|2,0,1]=3 85 B6R0.2 C[C@H](N)CC(=O)O MCULE-6641912058 [0,0,0,0,0,0|2,0,1]=3 86 B6R0.2 C[C@H](O)CC(=O)O MCULE-2857686566 [0,0,0,0,0,0|1,0,1]=2 87 B6R0.2 C[C@H](O)CC(=O)O MCULE-3362266278 [0,0,0,0,0,0|1,0,1]=2 88 B6R0.2 C[C@H](O)CC(=O)[O-] MCULE-3624690550 [0,0,0,0,0,0|1,0,2]=3 89 B6R0.2 C[C@H](O)CC(=O)[O-] MCULE-5550257128 [0,0,0,0,0,0|1,0,2]=3 90 B6R0.2 C[C@H](O)C[C@H](C)O MCULE-1267135444 [0,0,0,0,0,0|2,0,2]=4 91 B6R0.2 C[C@H](O)C[C@H](C)O MCULE-5878966333 [0,0,0,0,0,0|2,0,2]=4 92 B6R0.2 C[S+](C)CC(=O)[O-] MCULE-1975585935 [0,0,0,0,0,0|3,0,1]=4 93 B6R0.2 C[S+](C)CC(=O)[O-] MCULE-7679949306 [0,0,0,0,0,0|3,0,1]=4 94 B6R0.2 N=C(N)CC(=N)N MCULE-4863741442 [0,0,0,0,0,0|4,0,0]=4 95 B6R0.2 N=C(N)CC(=N)N MCULE-8523596922 [0,0,0,0,0,0|4,0,0]=4 96 B6R0.2 N=C(N)CC(=O)N MCULE-9200673939 [0,0,0,0,0,0|3,0,0]=3 97 B6R0.2 N=C(N)NC(=O)N MCULE-1919966850 [0,0,0,0,0,0|4,0,0]=4 98 B6R0.2 N=C(N)NC(=O)N MCULE-3428379172 [0,0,0,0,0,0|4,0,0]=4 99 B6R0.2 N=C(N)NC(=O)N MCULE-6044803486 [0,0,0,0,0,0|4,0,0]=4 100 B6R0.2 N=C(N)NC(=O)N MCULE-8893931961 [0,0,0,0,0,0|4,0,0]=4 101 B6R0.2 N=C([NH3+])CC(=O)N MCULE-7769639649 [0,0,0,0,0,0|3,0,0]=3 102 B6R0.2 NC(=O)CC(=O)N MCULE-7675159766 [0,0,0,0,0,0|2,0,0]=2 103 B6R0.2 NC(=O)CC(=O)O MCULE-1168254626 [0,0,0,0,0,0|1,0,0]=1 104 B6R0.2 NC(=O)CC(=S)N MCULE-9383188328 [0,0,0,0,0,0|2,1,0]=3 105 B6R0.2 NC(=O)CN(=O)=O MCULE-2051107739 [0,0,0,0,0,0|2,0,1]=3 106 B6R0.2 NC(=O)CN(=O)=O MCULE-6284821429 [0,0,0,0,0,0|2,0,1]=3 107 B6R0.2 NC(=O)NC(=O)N MCULE-4571627886 [0,0,0,0,0,0|3,0,0]=3 108 B6R0.2 NC(=S)CC(=S)N MCULE-2555051271 [0,0,0,0,0,0|2,2,0]=4 109 B6R0.2 NC(F)CC(=O)O MCULE-1563194776 [0,0,0,0,0,0|2,0,1]=3 110 B6R0.2 NC(F)CC(=O)O MCULE-1655564430 [0,0,0,0,0,0|2,0,1]=3 111 B6R0.2 O=C(Cl)CC(=O)Cl MCULE-8779098368 [0,0,0,0,0,0|2,0,0]=2 112 B6R0.2 O=C(O)C=C(Br)Br MCULE-4379078717 [0,0,0,0,0,0|2,0,1]=3 113 B6R0.2 O=C(O)C=C(Cl)Cl MCULE-5096440659 [0,0,0,0,0,0|2,0,1]=3 114 B6R0.2 O=C(O)CB(O)O MCULE-6408403753 [0,0,0,0,0,0|1,0,1]=2 115 B6R0.2 O=C(O)CC(=O)O MCULE-5893043131 [0,0,0,0,0,0|0,0,0]=0 116 B6R0.2 O=C(O)CC(F)F MCULE-9388620099 [0,0,0,0,0,0|2,0,1]=3 117 B6R0.2 O=C(O)CN(=O)=O MCULE-4962751453 [0,0,0,0,0,0|1,0,1]=2 118 B6R0.2 O=C([O-])CC(=O)[O-] MCULE-2327820884 [0,0,0,0,0,0|0,0,2]=2 119 B6R0.2 O=C([O-])CC(=O)[O-] MCULE-6849635529 [0,0,0,0,0,0|0,0,2]=2 120 B6R0.2 O=C([O-])CN(=O)=O MCULE-4674762686 [0,0,0,0,0,0|1,0,2]=3 121 B5R0.1 C#CCC(=O)O MCULE-4680699666 [1,0,0,0,0,0|1,0,1]=3 122 B5R0.1 C/C=C/C(=O)C MCULE-2109656516 [1,0,0,0,0,0|2,0,1]=4 123 B5R0.1 C/C=C/C(=O)Cl MCULE-8378824386 [1,0,0,0,0,0|2,0,1]=4 124 B5R0.1 C/C=C/C(=O)N MCULE-2532228624 [1,0,0,0,0,0|2,0,1]=4 125 B5R0.1 C/C=C/C(=O)O MCULE-6937494852 [1,0,0,0,0,0|1,0,1]=3 126 B5R0.1 C=C(Br)CCO MCULE-3743908958 [1,0,0,0,0,0|2,0,1]=4 127 B5R0.1 C=C(C)CCO MCULE-2689800711 [1,0,0,0,0,0|2,0,1]=4 128 B5R0.1 C=CCB(O)O MCULE-2306600658 [1,0,0,0,0,0|2,0,1]=4 129 B5R0.1 C=CCC(=C)C MCULE-6294070836 [1,0,0,0,0,0|3,0,0]=4 130 B5R0.1 C=CCC(=N)N MCULE-6305125234 [1,0,0,0,0,0|3,0,0]=4 131 B5R0.1 C=CCC(=O)Cl MCULE-6033189203 [1,0,0,0,0,0|2,0,0]=3 132 B5R0.1 C=CCC(=O)N MCULE-1205335257 [1,0,0,0,0,0|2,0,0]=3 133 B5R0.1 C=CCC(=O)O MCULE-6288979337 [1,0,0,0,0,0|1,0,0]=2 134 B5R0.1 C=CCC(C)O MCULE-7724200334 [1,0,0,0,0,0|2,0,1]=4 135 B5R0.1 C=CCC(C)O MCULE-9910771503 [1,0,0,0,0,0|2,0,1]=4 136 B5R0.1 C=CC[C@@H](C)O MCULE-1663575568 [1,0,0,0,0,0|2,0,1]=4 137 B5R0.1 C=CC[C@@H](C)O MCULE-3971480179 [1,0,0,0,0,0|2,0,1]=4 138 B5R0.1 C=CC[C@H](C)O MCULE-5783959808 [1,0,0,0,0,0|2,0,1]=4 139 B5R0.1 C=CC[C@H](C)O MCULE-6146696600 [1,0,0,0,0,0|2,0,1]=4 140 B5R0.1 C=CNC(=O)C MCULE-1260296806 [1,0,0,0,0,0|3,0,0]=4 141 B5R0.1 C=CNC(=O)N MCULE-4235216182 [1,0,0,0,0,0|3,0,0]=4 142 B5R0.1 C=COC(=O)C MCULE-7626795765 [1,0,0,0,0,0|3,0,0]=4 143 B5R0.1 C=COC(=O)Cl MCULE-9915729615 [1,0,0,0,0,0|3,0,0]=4 144 B5R0.1 C=C[CH+]C(=O)[O-] MCULE-7935071431 [1,0,0,0,0,0|1,0,2]=4 145 B5R0.1 C=NCC(=O)N MCULE-7609497329 [1,0,0,0,0,0|3,0,0]=4 146 B5R0.1 CC#CC(=O)O MCULE-9994142213 [1,0,0,0,0,0|1,0,2]=4 147 B5R0.1 CC(=CC=O)C MCULE-7002222435 [1,0,0,0,0,0|2,0,1]=4 148 B5R0.1 CC(=CC=O)Cl MCULE-2279693190 [1,0,0,0,0,0|2,0,1]=4 149 B5R0.1 CC(=CC=O)N MCULE-2659507627 [1,0,0,0,0,0|2,0,1]=4 150 B5R0.1 CC(=O)/C=N/O MCULE-5424156575 [1,0,0,0,0,0|2,0,1]=4 151 B5R0.1 CC(=O)/C=N\O MCULE-9083768531 [1,0,0,0,0,0|2,0,1]=4 152 B5R0.1 CC(=O)C=C=O MCULE-4335598177 [1,0,0,0,0,0|1,0,2]=4 153 B5R0.1 CC(=O)C=NO MCULE-5513006918 [1,0,0,0,0,0|2,0,1]=4 154 B5R0.1 CC(=O)CC#N MCULE-7203242552 [1,0,0,0,0,0|2,0,1]=4 155 B5R0.1 CC(=O)CCBr MCULE-2615300206 [1,0,0,0,0,0|2,0,1]=4 156 B5R0.1 CC(=O)CCCl MCULE-8019748964 [1,0,0,0,0,0|2,0,1]=4 157 B5R0.1 CC(=O)CCN MCULE-7550348751 [1,0,0,0,0,0|2,0,1]=4 158 B5R0.1 CC(=O)CCN MCULE-9519063810 [1,0,0,0,0,0|2,0,1]=4 159 B5R0.1 CC(=O)CCO MCULE-6328537335 [1,0,0,0,0,0|1,0,1]=3 160 B5R0.1 CC(=O)N=S=O MCULE-1420371815 [1,0,0,0,0,0|3,0,0]=4 161 B5R0.1 CC(=O)NCO MCULE-4563335540 [1,0,0,0,0,0|2,0,1]=4 162 B5R0.1 CC(C)CC=O MCULE-2939497534 [1,0,0,0,0,0|2,0,1]=4 163 B5R0.1 CC(O)CCO MCULE-1694239851 [1,0,0,0,0,0|1,0,2]=4 164 B5R0.1 CC(O)CCO MCULE-7784884948 [1,0,0,0,0,0|1,0,2]=4 165 B5R0.1 CC=CC(=O)C MCULE-4826977340 [1,0,0,0,0,0|2,0,1]=4 166 B5R0.1 CC=CC(=O)Cl MCULE-2747622237 [1,0,0,0,0,0|2,0,1]=4 167 B5R0.1 CC=CC(=O)N MCULE-9693879476 [1,0,0,0,0,0|2,0,1]=4 168 B5R0.1 CC=CC(=O)O MCULE-7970410217 [1,0,0,0,0,0|1,0,1]=3 169 B5R0.1 CCCC(=O)C MCULE-7174095676 [1,0,0,0,0,0|2,0,1]=4 170 B5R0.1 CCCC(=O)Cl MCULE-3288175193 [1,0,0,0,0,0|2,0,1]=4 171 B5R0.1 CCCC(=O)N MCULE-2712067671 [1,0,0,0,0,0|2,0,1]=4 172 B5R0.1 CCCC(=O)O MCULE-4116382006 [1,0,0,0,0,0|1,0,1]=3 173 B5R0.1 CCCC(=O)[O-] MCULE-8706538802 [1,0,0,0,0,0|1,0,2]=4 174 B5R0.1 CCCC(=O)[O-] MCULE-9764702574 [1,0,0,0,0,0|1,0,2]=4 175 B5R0.1 CCCC(=S)O MCULE-3382199964 [1,0,0,0,0,0|1,1,1]=4 176 B5R0.1 CN(C)CC=O MCULE-1229218563 [1,0,0,0,0,0|3,0,0]=4 177 B5R0.1 CN(C)CC=O MCULE-3577561950 [1,0,0,0,0,0|3,0,0]=4 178 B5R0.1 CN(C)CC=O MCULE-4493766862 [1,0,0,0,0,0|3,0,0]=4 179 B5R0.1 CN(C)CC=O MCULE-8123455398 [1,0,0,0,0,0|3,0,0]=4 180 B5R0.1 CNCC(=O)C MCULE-3695443024 [1,0,0,0,0,0|3,0,0]=4 181 B5R0.1 CNCC(=O)C MCULE-7402723072 [1,0,0,0,0,0|3,0,0]=4 182 B5R0.1 CNCC(=O)N MCULE-2328887394 [1,0,0,0,0,0|3,0,0]=4 183 B5R0.1 CNCC(=O)N MCULE-3031605853 [1,0,0,0,0,0|3,0,0]=4 184 B5R0.1 CNCC(=O)N MCULE-7300977677 [1,0,0,0,0,0|3,0,0]=4 185 B5R0.1 CNCC(=O)O MCULE-3448356048 [1,0,0,0,0,0|2,0,0]=3 186 B5R0.1 CNCC(=O)O MCULE-4484444573 [1,0,0,0,0,0|2,0,0]=3 187 B5R0.1 CNCC(=O)[O-] MCULE-7993701866 [1,0,0,0,0,0|2,0,1]=4 188 B5R0.1 COCC(=O)C MCULE-7262197587 [1,0,0,0,0,0|3,0,0]=4 189 B5R0.1 COCC(=O)Cl MCULE-5449267495 [1,0,0,0,0,0|3,0,0]=4 190 B5R0.1 COCC(=O)N MCULE-6674958132 [1,0,0,0,0,0|3,0,0]=4 191 B5R0.1 COCC(=O)O MCULE-3945589151 [1,0,0,0,0,0|2,0,0]=3 192 B5R0.1 CS(=O)CCO MCULE-8331553582 [1,0,0,0,0,0|2,0,1]=4 193 B5R0.1 CSCC(=O)C MCULE-4131794172 [1,0,0,0,0,0|3,0,0]=4 194 B5R0.1 CSCC(=O)Cl MCULE-9750052685 [1,0,0,0,0,0|3,0,0]=4 195 B5R0.1 CSCC(=O)N MCULE-4865579476 [1,0,0,0,0,0|3,0,0]=4 196 B5R0.1 CSCC(=O)O MCULE-7003418159 [1,0,0,0,0,0|2,0,0]=3 197 B5R0.1 C[C@@H](O)CCO MCULE-6277947442 [1,0,0,0,0,0|1,0,2]=4 198 B5R0.1 C[C@@H](O)CCO MCULE-9742368348 [1,0,0,0,0,0|1,0,2]=4 199 B5R0.1 C[C@H](O)CCO MCULE-2504912618 [1,0,0,0,0,0|1,0,2]=4 200 B5R0.1 C[C@H](O)CCO MCULE-2958119786 [1,0,0,0,0,0|1,0,2]=4 201 B5R0.1 C[S@@](=O)CCO MCULE-4485824334 [1,0,0,0,0,0|2,0,1]=4 202 B5R0.1 N#CCC(=O)Cl MCULE-7971055738 [1,0,0,0,0,0|2,0,1]=4 203 B5R0.1 N#CCC(=O)N MCULE-8538286230 [1,0,0,0,0,0|2,0,1]=4 204 B5R0.1 N#CCC(=O)O MCULE-3440765061 [1,0,0,0,0,0|1,0,1]=3 205 B5R0.1 N#CCC(=O)[O-] MCULE-2598625909 [1,0,0,0,0,0|1,0,2]=4 206 B5R0.1 N#CCC(=O)[O-] MCULE-3532110520 [1,0,0,0,0,0|1,0,2]=4 207 B5R0.1 N=C(N)CCO MCULE-4567824707 [1,0,0,0,0,0|2,0,1]=4 208 B5R0.1 N=C(N)CCO MCULE-7139693715 [1,0,0,0,0,0|2,0,1]=4 209 B5R0.1 N=C(N)NC=O MCULE-2702198735 [1,0,0,0,0,0|3,0,0]=4 210 B5R0.1 NC(=O)C=CCl MCULE-3595468874 [1,0,0,0,0,0|2,0,1]=4 211 B5R0.1 NC(=O)C=NO MCULE-6447662753 [1,0,0,0,0,0|2,0,1]=4 212 B5R0.1 NC(=O)CCBr MCULE-3930714776 [1,0,0,0,0,0|2,0,1]=4 213 B5R0.1 NC(=O)CCCl MCULE-8300320959 [1,0,0,0,0,0|2,0,1]=4 214 B5R0.1 NC(=O)CCO MCULE-4026170350 [1,0,0,0,0,0|1,0,1]=3 215 B5R0.1 NC(=O)CCS MCULE-7451827717 [1,0,0,0,0,0|1,1,1]=4 216 B5R0.1 NC(=O)NCO MCULE-7403641101 [1,0,0,0,0,0|2,0,1]=4 217 B5R0.1 NC(=O)NN=O MCULE-2820469915 [1,0,0,0,0,0|3,0,0]=4 218 B5R0.1 NCCC(=O)Cl MCULE-1298355499 [1,0,0,0,0,0|2,0,1]=4 219 B5R0.1 NCCC(=O)N MCULE-2899414135 [1,0,0,0,0,0|2,0,1]=4 220 B5R0.1 NCCC(=O)N MCULE-6993286668 [1,0,0,0,0,0|2,0,1]=4 221 B5R0.1 NCCC(=O)O MCULE-1344289084 [1,0,0,0,0,0|1,0,1]=3 222 B5R0.1 NCCC(=O)O MCULE-2298605337 [1,0,0,0,0,0|1,0,1]=3 223 B5R0.1 NCCC(=O)O MCULE-9375577631 [1,0,0,0,0,0|1,0,1]=3 224 B5R0.1 NCCC(=O)[O-] MCULE-2492250086 [1,0,0,0,0,0|1,0,2]=4 225 B5R0.1 NCCP(=O)O MCULE-7093964616 [1,0,0,0,0,0|2,0,1]=4 226 B5R0.1 NCCS(=O)O MCULE-4372248641 [1,0,0,0,0,0|2,0,1]=4 227 B5R0.1 NNCC(=O)N MCULE-2794619708 [1,0,0,0,0,0|3,0,0]=4 228 B5R0.1 NNCC(=O)N MCULE-6773156087 [1,0,0,0,0,0|3,0,0]=4 229 B5R0.1 NNCC(=O)O MCULE-4908184724 [1,0,0,0,0,0|2,0,0]=3 230 B5R0.1 NNCC(=O)O MCULE-6315598774 [1,0,0,0,0,0|2,0,0]=3 231 B5R0.1 NOCC(=O)O MCULE-4566186819 [1,0,0,0,0,0|2,0,0]=3 232 B5R0.1 NOCC(=O)O MCULE-4824237418 [1,0,0,0,0,0|2,0,0]=3 233 B5R0.1 NOCC(=O)O MCULE-8132180423 [1,0,0,0,0,0|2,0,0]=3 234 B5R0.1 O=C(Cl)C=CCl MCULE-7984379237 [1,0,0,0,0,0|2,0,1]=4 235 B5R0.1 O=C(Cl)CCBr MCULE-4659506608 [1,0,0,0,0,0|2,0,1]=4 236 B5R0.1 O=C(Cl)CCCl MCULE-3313924878 [1,0,0,0,0,0|2,0,1]=4 237 B5R0.1 O=C(Cl)CCF MCULE-3316397790 [1,0,0,0,0,0|2,0,1]=4 238 B5R0.1 O=C(O)/C=C/Br MCULE-7284519266 [1,0,0,0,0,0|1,0,1]=3 239 B5R0.1 O=C(O)/C=C/Cl MCULE-1625781671 [1,0,0,0,0,0|1,0,1]=3 240 B5R0.1 O=C(O)/C=C/I MCULE-3339607379 [1,0,0,0,0,0|1,0,1]=3 241 B5R0.1 O=C(O)/C=C\Br MCULE-6149049313 [1,0,0,0,0,0|1,0,1]=3 242 B5R0.1 O=C(O)/C=C\Cl MCULE-1221996674 [1,0,0,0,0,0|1,0,1]=3 243 B5R0.1 O=C(O)/C=C\I MCULE-3065405012 [1,0,0,0,0,0|1,0,1]=3 244 B5R0.1 O=C(O)/C=N/O MCULE-2471349844 [1,0,0,0,0,0|1,0,1]=3 245 B5R0.1 O=C(O)C#CBr MCULE-1997285471 [1,0,0,0,0,0|1,0,2]=4 246 B5R0.1 O=C(O)C=CBr MCULE-2956464856 [1,0,0,0,0,0|1,0,1]=3 247 B5R0.1 O=C(O)C=CCl MCULE-6369812151 [1,0,0,0,0,0|1,0,1]=3 248 B5R0.1 O=C(O)C=CI MCULE-7162332129 [1,0,0,0,0,0|1,0,1]=3 249 B5R0.1 O=C(O)C=NO MCULE-2039309679 [1,0,0,0,0,0|1,0,1]=3 250 B5R0.1 O=C(O)CCBr MCULE-2816055853 [1,0,0,0,0,0|1,0,1]=3 251 B5R0.1 O=C(O)CCCl MCULE-8511144183 [1,0,0,0,0,0|1,0,1]=3 252 B5R0.1 O=C(O)CCF MCULE-4382025684 [1,0,0,0,0,0|1,0,1]=3 253 B5R0.1 O=C(O)CCI MCULE-3371354708 [1,0,0,0,0,0|1,0,1]=3 254 B5R0.1 O=C(O)CCO MCULE-3428604829 [1,0,0,0,0,0|0,0,1]=2 255 B5R0.1 O=C(O)CCS MCULE-3211932163 [1,0,0,0,0,0|0,1,1]=3 256 B5R0.1 O=C(O)CNO MCULE-4437067339 [1,0,0,0,0,0|1,0,0]=2 257 B5R0.1 O=C([O-])C#CO MCULE-3725047218 [1,0,0,0,0,0|0,0,3]=4 258 B5R0.1 O=C([O-])C#CO MCULE-9125153565 [1,0,0,0,0,0|0,0,3]=4 259 B5R0.1 O=C([O-])C=CCl MCULE-4750072789 [1,0,0,0,0,0|1,0,2]=4 260 B5R0.1 O=C([O-])CCO MCULE-4429611588 [1,0,0,0,0,0|0,0,2]=3 261 B5R0.1 O=N(=O)CCO MCULE-2060841405 [1,0,0,0,0,0|1,0,2]=4 262 B7R0.2 C#CC(C)CC(=O)O MCULE-8780802803 [0,1,0,0,0,0|2,0,1]=4 263 B7R0.2 C(O)(CN)CC(=O)O MCULE-8378388788 [0,1,0,0,0,0|1,0,1]=3 264 B7R0.2 C=CC(=O)NC(=O)N MCULE-8826369233 [0,1,0,0,0,0|3,0,0]=4 265 B7R0.2 C=CC(C)CC(=O)O MCULE-4817084034 [0,1,0,0,0,0|2,0,1]=4 266 B7R0.2 C=CC(N)CC(=O)O MCULE-1733618438 [0,1,0,0,0,0|2,0,1]=4 267 B7R0.2 C=CC(N)CC(=O)O MCULE-9636299966 [0,1,0,0,0,0|2,0,1]=4 268 B7R0.2 C=CC(O)CC(=O)O MCULE-2383393271 [0,1,0,0,0,0|1,0,1]=3 269 B7R0.2 CC(=CC(=O)O)C=O MCULE-7652207149 [0,1,0,0,0,0|1,0,1]=3 270 B7R0.2 CC(=O)NC(=O)CBr MCULE-3222708274 [0,1,0,0,0,0|3,0,0]=4 271 B7R0.2 CC(CC(=O)O)NN MCULE-2614719429 [0,1,0,0,0,0|2,0,1]=4 272 B7R0.2 CC(CC(=O)O)NN MCULE-2739806820 [0,1,0,0,0,0|2,0,1]=4 273 B7R0.2 CC(CN)CC(=O)O MCULE-1594242184 [0,1,0,0,0,0|2,0,1]=4 274 B7R0.2 CC(CN)CC(=O)O MCULE-8074816359 [0,1,0,0,0,0|2,0,1]=4 275 B7R0.2 CC(O)CC(=O)NN MCULE-2521784411 [0,1,0,0,0,0|2,0,1]=4 276 B7R0.2 CCC(=CC(=O)O)C MCULE-3864767099 [0,1,0,0,0,0|2,0,1]=4 277 B7R0.2 CCC(=O)CC(=O)C MCULE-1892470405 [0,1,0,0,0,0|2,0,0]=3 278 B7R0.2 CCC(=O)CC(=O)O MCULE-1083768149 [0,1,0,0,0,0|1,0,0]=2 279 B7R0.2 CCC(=O)OC(=O)C MCULE-8264492254 [0,1,0,0,0,0|3,0,0]=4 280 B7R0.2 CCC(C)CC(=O)O MCULE-3409782202 [0,1,0,0,0,0|2,0,1]=4 281 B7R0.2 CCC(C)CC(=O)O MCULE-6537278030 [0,1,0,0,0,0|2,0,1]=4 282 B7R0.2 CCC(N)CC(=O)O MCULE-1744910444 [0,1,0,0,0,0|2,0,1]=4 283 B7R0.2 CCC(N)CC(=O)O MCULE-5610499925 [0,1,0,0,0,0|2,0,1]=4 284 B7R0.2 CCC(O)CC(=O)C MCULE-1222748729 [0,1,0,0,0,0|2,0,1]=4 285 B7R0.2 CCC(O)CC(=O)O MCULE-4663578527 [0,1,0,0,0,0|1,0,1]=3 286 B7R0.2 CCN(C)CC(=O)O MCULE-3102395413 [0,1,0,0,0,0|3,0,0]=4 287 B7R0.2 CCS(=O)CC(=O)O MCULE-5648298475 [0,1,0,0,0,0|2,0,0]=3 288 B7R0.2 CC[C@@H](C)CC(=O)O MCULE-5550070887 [0,1,0,0,0,0|2,0,1]=4 289 B7R0.2 CC[C@@H](C)CC(=O)O MCULE-9572363620 [0,1,0,0,0,0|2,0,1]=4 290 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-1158271004 [0,1,0,0,0,0|2,0,1]=4 291 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-2354820947 [0,1,0,0,0,0|2,0,1]=4 292 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-4284161835 [0,1,0,0,0,0|2,0,1]=4 293 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-9523089766 [0,1,0,0,0,0|2,0,1]=4 294 B7R0.2 CC[C@H](C)CC(=O)O MCULE-4177365854 [0,1,0,0,0,0|2,0,1]=4 295 B7R0.2 CC[C@H](C)CC(=O)O MCULE-5173108207 [0,1,0,0,0,0|2,0,1]=4 296 B7R0.2 CC[C@H](N)CC(=O)O MCULE-1463536674 [0,1,0,0,0,0|2,0,1]=4 297 B7R0.2 CC[C@H](N)CC(=O)O MCULE-2865599647 [0,1,0,0,0,0|2,0,1]=4 298 B7R0.2 CC[C@H](N)CC(=O)O MCULE-4506847599 [0,1,0,0,0,0|2,0,1]=4 299 B7R0.2 CC[C@H](N)CC(=O)O MCULE-4819674539 [0,1,0,0,0,0|2,0,1]=4 300 B7R0.2 CN(C=O)CC(=O)O MCULE-2679649056 [0,1,0,0,0,0|2,0,0]=3 301 B7R0.2 CN(CC(=O)O)N=O MCULE-5473244336 [0,1,0,0,0,0|2,0,0]=3 302 B7R0.2 CNC(=O)CC(=N)N MCULE-4798896062 [0,1,0,0,0,0|3,0,0]=4 303 B7R0.2 CNC(=O)CC(=N)N MCULE-6994336455 [0,1,0,0,0,0|3,0,0]=4 304 B7R0.2 CNC(=O)CC(=O)C MCULE-4316009681 [0,1,0,0,0,0|2,0,0]=3 305 B7R0.2 CNC(=O)CC(=O)O MCULE-3506871336 [0,1,0,0,0,0|1,0,0]=2 306 B7R0.2 CNC(=O)CC(=S)N MCULE-1637389152 [0,1,0,0,0,0|2,1,0]=4 307 B7R0.2 CNC(=O)CN(=O)=O MCULE-2253664059 [0,1,0,0,0,0|2,0,1]=4 308 B7R0.2 CNC(=O)NC(=O)C MCULE-9100713966 [0,1,0,0,0,0|3,0,0]=4 309 B7R0.2 CNC(=O)NC(=O)N MCULE-8107942434 [0,1,0,0,0,0|3,0,0]=4 310 B7R0.2 CNC(C)CC(=O)O MCULE-6592893730 [0,1,0,0,0,0|2,0,1]=4 311 B7R0.2 CNC(C)CC(=O)O MCULE-7655437452 [0,1,0,0,0,0|2,0,1]=4 312 B7R0.2 CO/C(=C/C(=O)O)/C MCULE-5031076713 [0,1,0,0,0,0|1,0,1]=3 313 B7R0.2 COC(=CC(=O)C)C MCULE-1939113485 [0,1,0,0,0,0|2,0,1]=4 314 B7R0.2 COC(=CC(=O)O)C MCULE-2215306459 [0,1,0,0,0,0|1,0,1]=3 315 B7R0.2 COC(=O)/C=C(/C)\N MCULE-2378404457 [0,1,0,0,0,0|2,0,1]=4 316 B7R0.2 COC(=O)/C=C(\C)/N MCULE-7223502425 [0,1,0,0,0,0|2,0,1]=4 317 B7R0.2 COC(=O)C=C(C)C MCULE-9357284649 [0,1,0,0,0,0|2,0,1]=4 318 B7R0.2 COC(=O)C=C(C)N MCULE-8452012306 [0,1,0,0,0,0|2,0,1]=4 319 B7R0.2 COC(=O)C=C(C)[O-] MCULE-2706789496 [0,1,0,0,0,0|1,0,2]=4 320 B7R0.2 COC(=O)C=C(C)[O-] MCULE-4482386969 [0,1,0,0,0,0|1,0,2]=4 321 B7R0.2 COC(=O)CC(=N)N MCULE-3622266378 [0,1,0,0,0,0|2,0,0]=3 322 B7R0.2 COC(=O)CC(=N)N MCULE-8717458518 [0,1,0,0,0,0|2,0,0]=3 323 B7R0.2 COC(=O)CC(=O)C MCULE-1265364784 [0,1,0,0,0,0|1,0,0]=2 324 B7R0.2 COC(=O)CC(=O)Cl MCULE-5016603273 [0,1,0,0,0,0|1,0,0]=2 325 B7R0.2 COC(=O)CC(=O)N MCULE-7129379910 [0,1,0,0,0,0|1,0,0]=2 326 B7R0.2 COC(=O)CC(=O)O MCULE-7983457925 [0,1,0,0,0,0|0,0,0]=1 327 B7R0.2 COC(=O)CC(=O)[O-] MCULE-4316322156 [0,1,0,0,0,0|0,0,1]=2 328 B7R0.2 COC(=O)CC(=S)N MCULE-3325362226 [0,1,0,0,0,0|1,1,0]=3 329 B7R0.2 COC(=O)CC(C)Br MCULE-4193147778 [0,1,0,0,0,0|2,0,1]=4 330 B7R0.2 COC(=O)CC(C)C MCULE-2808202854 [0,1,0,0,0,0|2,0,1]=4 331 B7R0.2 COC(=O)CC(C)Cl MCULE-2734734940 [0,1,0,0,0,0|2,0,1]=4 332 B7R0.2 COC(=O)CC(C)N MCULE-2402304310 [0,1,0,0,0,0|2,0,1]=4 333 B7R0.2 COC(=O)CC(C)N MCULE-3520358398 [0,1,0,0,0,0|2,0,1]=4 334 B7R0.2 COC(=O)CC(C)N MCULE-4044567169 [0,1,0,0,0,0|2,0,1]=4 335 B7R0.2 COC(=O)CC(C)N MCULE-5962991844 [0,1,0,0,0,0|2,0,1]=4 336 B7R0.2 COC(=O)CC(C)O MCULE-7542131760 [0,1,0,0,0,0|1,0,1]=3 337 B7R0.2 COC(=O)CC(C)O MCULE-7559608260 [0,1,0,0,0,0|1,0,1]=3 338 B7R0.2 COC(=O)CC(C)S MCULE-8423856471 [0,1,0,0,0,0|1,1,1]=4 339 B7R0.2 COC(=O)CN(=O)=O MCULE-9778666398 [0,1,0,0,0,0|1,0,1]=3 340 B7R0.2 COC(=O)CN(C)C MCULE-2035644817 [0,1,0,0,0,0|3,0,0]=4 341 B7R0.2 COC(=O)CN(C)C MCULE-2356820620 [0,1,0,0,0,0|3,0,0]=4 342 B7R0.2 COC(=O)CS(=O)C MCULE-6286293391 [0,1,0,0,0,0|2,0,0]=3 343 B7R0.2 COC(=O)C[C@@H](C)N MCULE-1483636974 [0,1,0,0,0,0|2,0,1]=4 344 B7R0.2 COC(=O)C[C@@H](C)N MCULE-4260923997 [0,1,0,0,0,0|2,0,1]=4 345 B7R0.2 COC(=O)C[C@@H](C)N MCULE-6569883717 [0,1,0,0,0,0|2,0,1]=4 346 B7R0.2 COC(=O)C[C@@H](C)N MCULE-9853158708 [0,1,0,0,0,0|2,0,1]=4 347 B7R0.2 COC(=O)C[C@@H](C)O MCULE-1647366037 [0,1,0,0,0,0|1,0,1]=3 348 B7R0.2 COC(=O)C[C@@H](C)O MCULE-7832771936 [0,1,0,0,0,0|1,0,1]=3 349 B7R0.2 COC(=O)C[C@H](C)N MCULE-1385999778 [0,1,0,0,0,0|2,0,1]=4 350 B7R0.2 COC(=O)C[C@H](C)N MCULE-1446150641 [0,1,0,0,0,0|2,0,1]=4 351 B7R0.2 COC(=O)C[C@H](C)N MCULE-2979603570 [0,1,0,0,0,0|2,0,1]=4 352 B7R0.2 COC(=O)C[C@H](C)N MCULE-7679126750 [0,1,0,0,0,0|2,0,1]=4 353 B7R0.2 COC(=O)C[C@H](C)O MCULE-5154734951 [0,1,0,0,0,0|1,0,1]=3 354 B7R0.2 COC(=O)C[C@H](C)O MCULE-7031738180 [0,1,0,0,0,0|1,0,1]=3 355 B7R0.2 COC(C)CC(=O)O MCULE-7063015720 [0,1,0,0,0,0|1,0,1]=3 356 B7R0.2 CSC(C)CC(=O)O MCULE-7827833531 [0,1,0,0,0,0|1,1,1]=4 357 B7R0.2 C[C@H](CN)CC(=O)O MCULE-4808630217 [0,1,0,0,0,0|2,0,1]=4 358 B7R0.2 C[C@H](CN)CC(=O)O MCULE-5474405940 [0,1,0,0,0,0|2,0,1]=4 359 B7R0.2 N/C(=N/O)/CC(=O)O MCULE-5236282846 [0,1,0,0,0,0|1,0,0]=2 360 B7R0.2 N=C(N)NC(=O)CO MCULE-1435627041 [0,1,0,0,0,0|3,0,0]=4 361 B7R0.2 NC(=O)C/C(=N\O)/N MCULE-7090967368 [0,1,0,0,0,0|2,0,0]=3 362 B7R0.2 NC(=O)NC(=O)CBr MCULE-4561848957 [0,1,0,0,0,0|3,0,0]=4 363 B7R0.2 NC(=O)NC(=O)CCl MCULE-6047100495 [0,1,0,0,0,0|3,0,0]=4 364 B7R0.2 NC(CO)CC(=O)O MCULE-4749383822 [0,1,0,0,0,0|1,0,1]=3 365 B7R0.2 NC(CO)CC(=O)O MCULE-7973334774 [0,1,0,0,0,0|1,0,1]=3 366 B7R0.2 NC(CO)CC(=O)O MCULE-8406665261 [0,1,0,0,0,0|1,0,1]=3 367 B7R0.2 NCC(N)CC(=O)O MCULE-5523883615 [0,1,0,0,0,0|2,0,1]=4 368 B7R0.2 NCC(N)CC(=O)O MCULE-7594259237 [0,1,0,0,0,0|2,0,1]=4 369 B7R0.2 NCC(O)CC(=O)O MCULE-9221352157 [0,1,0,0,0,0|1,0,1]=3 370 B7R0.2 NC[C@@H](N)CC(=O)O MCULE-6348974465 [0,1,0,0,0,0|2,0,1]=4 371 B7R0.2 NC[C@@H](N)CC(=O)O MCULE-9397628218 [0,1,0,0,0,0|2,0,1]=4 372 B7R0.2 NC[C@@H](O)CC(=O)O MCULE-2174350055 [0,1,0,0,0,0|1,0,1]=3 373 B7R0.2 NC[C@@H](O)CC(=O)O MCULE-8177708130 [0,1,0,0,0,0|1,0,1]=3 374 B7R0.2 NC[C@H](N)CC(=O)O MCULE-6133569516 [0,1,0,0,0,0|2,0,1]=4 375 B7R0.2 NC[C@H](N)CC(=O)O MCULE-7098533469 [0,1,0,0,0,0|2,0,1]=4 376 B7R0.2 NC[C@H](O)CC(=O)O MCULE-6634973995 [0,1,0,0,0,0|1,0,1]=3 377 B7R0.2 NC[C@H](O)CC(=O)O MCULE-8055679819 [0,1,0,0,0,0|1,0,1]=3 378 B7R0.2 NNC(=O)CN(=O)=O MCULE-9562845907 [0,1,0,0,0,0|2,0,1]=4 379 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-1773927420 [0,1,0,0,0,0|1,0,1]=3 380 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-2797951743 [0,1,0,0,0,0|1,0,1]=3 381 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-3839766977 [0,1,0,0,0,0|1,0,1]=3 382 B7R0.2 N[C@H](CO)CC(=O)O MCULE-4130106630 [0,1,0,0,0,0|1,0,1]=3 383 B7R0.2 O=C(Br)CC(=O)CBr MCULE-5776576043 [0,1,0,0,0,0|2,0,0]=3 384 B7R0.2 O=C(Cl)CC(=O)CCl MCULE-6416318811 [0,1,0,0,0,0|2,0,0]=3 385 B7R0.2 O=C(O)CC(=O)CCl MCULE-9671015150 [0,1,0,0,0,0|1,0,0]=2 386 B7R0.2 O=C(O)CC(=O)CO MCULE-2224143705 [0,1,0,0,0,0|0,0,0]=1 387 B7R0.2 O=C(O)CC(O)CO MCULE-2851149196 [0,1,0,0,0,0|0,0,2]=3 388 B7R0.2 O=C(O)C[C@H](O)CO MCULE-5671818548 [0,1,0,0,0,0|0,0,2]=3 389 B7R0.2 O=C([O-])CC(O)CO MCULE-5202762172 [0,1,0,0,0,0|0,0,3]=4 390 B7R0.2 O=C([O-])CC(O)CO MCULE-6219855770 [0,1,0,0,0,0|0,0,3]=4 391 B7R0.2 O=CN(O)CC(=O)O MCULE-7408790227 [0,1,0,0,0,0|1,0,0]=2 392 B7R0.2 [NH3+][C@H](CO)CC(=O)[O-] MCULE-5131942851 [0,1,0,0,0,0|1,0,2]=4 393 B7R0.9 C=C(C)CS(=O)(=O)O MCULE-9682032193 [0,1,0,0,0,0|3,0,0]=4 394 B7R0.9 CC(=O)CC(C)(C)O MCULE-2623560163 [0,1,0,0,0,0|2,0,1]=4 395 B7R0.9 CC(=O)CS(=O)(=O)C MCULE-5686426572 [0,1,0,0,0,0|2,0,1]=4 396 B7R0.9 CC(=O)CS(=O)(=O)F MCULE-1649143366 [0,1,0,0,0,0|2,0,1]=4 397 B7R0.9 CC(=O)CS(=O)(=O)N MCULE-1632563820 [0,1,0,0,0,0|2,0,1]=4 398 B7R0.9 CC(=O)OP(=O)(O)O MCULE-3093243474 [0,1,0,0,0,0|3,0,0]=4 399 B7R0.9 CC(C)(Br)CC(=O)O MCULE-2452885576 [0,1,0,0,0,0|2,0,1]=4 400 B7R0.9 CC(C)(C)CC(=O)O MCULE-8746589287 [0,1,0,0,0,0|2,0,1]=4 401 B7R0.9 CC(C)(N)CC(=O)O MCULE-1798345695 [0,1,0,0,0,0|2,0,1]=4 402 B7R0.9 CC(C)(N)CC(=O)O MCULE-4385513857 [0,1,0,0,0,0|2,0,1]=4 403 B7R0.9 CC(C)(N)CC(=O)O MCULE-7160776320 [0,1,0,0,0,0|2,0,1]=4 404 B7R0.9 CC(C)(O)CC(=O)O MCULE-3649642958 [0,1,0,0,0,0|1,0,1]=3 405 B7R0.9 CC(C)(S)CC(=O)O MCULE-6501202267 [0,1,0,0,0,0|1,1,1]=4 406 B7R0.9 CC(F)(F)CC(=O)O MCULE-2075069695 [0,1,0,0,0,0|2,0,1]=4 407 B7R0.9 CS(=O)(=O)CC(=O)Cl MCULE-9861100117 [0,1,0,0,0,0|2,0,1]=4 408 B7R0.9 CS(=O)(=O)CC(=O)N MCULE-1619614870 [0,1,0,0,0,0|2,0,1]=4 409 B7R0.9 CS(=O)(=O)CC(=O)O MCULE-1982886035 [0,1,0,0,0,0|1,0,1]=3 410 B7R0.9 C[As+](C)(C)CC(=O)O MCULE-7167642312 [0,1,0,0,0,0|3,0,0]=4 411 B7R0.9 C[N+](C)(C)CC(=O)O MCULE-5937838609 [0,1,0,0,0,0|3,0,0]=4 412 B7R0.9 C[Si](C)(C)CC(=O)O MCULE-3888042601 [0,1,0,0,0,0|2,1,0]=4 413 B7R0.9 NC(=O)CS(=O)(=O)N MCULE-5735073011 [0,1,0,0,0,0|2,0,1]=4 414 B7R0.9 NC(=O)OP(=O)(O)O MCULE-8071699770 [0,1,0,0,0,0|3,0,0]=4 415 B7R0.9 NS(=O)(=O)CC(=O)O MCULE-1039009855 [0,1,0,0,0,0|1,0,1]=3 416 B7R0.9 O=C(Cl)CS(=O)(=O)Cl MCULE-2724707205 [0,1,0,0,0,0|2,0,1]=4 417 B7R0.9 O=C(O)CC(F)(F)F MCULE-5328586639 [0,1,0,0,0,0|2,0,1]=4 418 B7R0.9 O=C(O)CP(=O)(O)O MCULE-7055994360 [0,1,0,0,0,0|1,0,0]=2 419 B7R0.9 O=C(O)CS(=O)(=O)O MCULE-4846153382 [0,1,0,0,0,0|1,0,0]=2 420 B7R0.16 C=C(C(=O)O)C(=O)O MCULE-7540749901 [0,1,0,0,0,0|0,0,1]=2 421 B7R0.16 C=C(C)C(C)C(=O)C MCULE-2480790812 [0,1,0,0,0,0|3,0,0]=4 422 B7R0.16 C=C(C)C(N)C(=O)O MCULE-1815568719 [0,1,0,0,0,0|2,0,0]=3 423 B7R0.16 C=C(C)C(N)C(=O)O MCULE-2839869274 [0,1,0,0,0,0|2,0,0]=3 424 B7R0.16 C=C(C)C(N)C(=O)O MCULE-5015326828 [0,1,0,0,0,0|2,0,0]=3 425 B7R0.16 C=C(C)C(N)C(=O)O MCULE-5043630144 [0,1,0,0,0,0|2,0,0]=3 426 B7R0.16 C=C(C)[C@@H](N)C(=C)O MCULE-5278584348 [0,1,0,0,0,0|3,0,0]=4 427 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-2007035571 [0,1,0,0,0,0|2,0,0]=3 428 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-6240689602 [0,1,0,0,0,0|2,0,0]=3 429 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-8025014656 [0,1,0,0,0,0|2,0,0]=3 430 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-9704891439 [0,1,0,0,0,0|2,0,0]=3 431 B7R0.16 CC(=C(Br)C(=O)O)C MCULE-8944482091 [0,1,0,0,0,0|2,0,1]=4 432 B7R0.16 CC(=C(C)C(=O)O)Br MCULE-9431818570 [0,1,0,0,0,0|2,0,1]=4 433 B7R0.16 CC(=C(C)C(=O)O)C MCULE-1062537992 [0,1,0,0,0,0|2,0,1]=4 434 B7R0.16 CC(=C(Cl)C(=O)O)C MCULE-9408683615 [0,1,0,0,0,0|2,0,1]=4 435 B7R0.16 CC(=C(F)C(=O)O)C MCULE-9025515032 [0,1,0,0,0,0|2,0,1]=4 436 B7R0.16 CC(=O)C(Br)C(=O)C MCULE-2980550700 [0,1,0,0,0,0|2,0,0]=3 437 B7R0.16 CC(=O)C(C)C(=O)C MCULE-9607259412 [0,1,0,0,0,0|2,0,0]=3 438 B7R0.16 CC(=O)C(Cl)C(=O)C MCULE-4716617423 [0,1,0,0,0,0|2,0,0]=3 439 B7R0.16 CC(=O)C(F)C(=O)C MCULE-4665621902 [0,1,0,0,0,0|2,0,0]=3 440 B7R0.16 CC(=O)C(N)C(=O)C MCULE-6440496769 [0,1,0,0,0,0|2,0,0]=3 441 B7R0.16 CC(=O)C(N)C(=O)C MCULE-8525737264 [0,1,0,0,0,0|2,0,0]=3 442 B7R0.16 CC(=O)N(C)C(=O)C MCULE-6245493539 [0,1,0,0,0,0|3,0,0]=4 443 B7R0.16 CC(Br)C(Br)C(=O)O MCULE-8605068480 [0,1,0,0,0,0|2,0,1]=4 444 B7R0.16 CC(Br)C(O)C(=O)O MCULE-8231714451 [0,1,0,0,0,0|2,0,1]=4 445 B7R0.16 CC(C(=O)Cl)C(=O)Cl MCULE-5269923120 [0,1,0,0,0,0|2,0,0]=3 446 B7R0.16 CC(C(=O)N)C(=O)N MCULE-4912037399 [0,1,0,0,0,0|2,0,0]=3 447 B7R0.16 CC(C(=O)O)C(=O)O MCULE-7232226851 [0,1,0,0,0,0|0,0,0]=1 448 B7R0.16 CC(C(=O)O)N(C)C MCULE-2658921782 [0,1,0,0,0,0|3,0,0]=4 449 B7R0.16 CC(C(=O)O)N(C)C MCULE-4457336101 [0,1,0,0,0,0|3,0,0]=4 450 B7R0.16 CC(C(=O)O)N(C)N MCULE-1182323460 [0,1,0,0,0,0|3,0,0]=4 451 B7R0.16 CC(C(=O)[O-])C(=O)[O-] MCULE-4632089491 [0,1,0,0,0,0|0,0,2]=3 452 B7R0.16 CC(C(=O)[O-])C(=O)[O-] MCULE-8764180648 [0,1,0,0,0,0|0,0,2]=3 453 B7R0.16 CC(C)C(Br)C(=O)O MCULE-7284929535 [0,1,0,0,0,0|2,0,1]=4 454 B7R0.16 CC(C)C(Br)C(=O)O MCULE-8100016953 [0,1,0,0,0,0|2,0,1]=4 455 B7R0.16 CC(C)C(C)C(=O)O MCULE-4998524686 [0,1,0,0,0,0|2,0,1]=4 456 B7R0.16 CC(C)C(Cl)C(=O)O MCULE-8634615546 [0,1,0,0,0,0|2,0,1]=4 457 B7R0.16 CC(C)C(F)C(=O)O MCULE-5644342535 [0,1,0,0,0,0|2,0,1]=4 458 B7R0.16 CC(C)C(N)C(=O)O MCULE-8140660263 [0,1,0,0,0,0|2,0,1]=4 459 B7R0.16 CC(C)C(N)C(=O)O MCULE-9199801639 [0,1,0,0,0,0|2,0,1]=4 460 B7R0.16 CC(C)C(O)C(=O)O MCULE-6517225229 [0,1,0,0,0,0|2,0,1]=4 461 B7R0.16 CC(C)C(O)C(=O)O MCULE-7748605101 [0,1,0,0,0,0|2,0,1]=4 462 B7R0.16 CC(C)[C@@H](Br)C(=O)O MCULE-2705531785 [0,1,0,0,0,0|2,0,1]=4 463 B7R0.16 CC(C)[C@@H](Br)C(=O)O MCULE-7570119486 [0,1,0,0,0,0|2,0,1]=4 464 B7R0.16 CC(C)[C@@H](N)C(=O)O MCULE-1338052740 [0,1,0,0,0,0|2,0,1]=4 465 B7R0.16 CC(C)[C@@H](N)C(=O)O MCULE-2459930572 [0,1,0,0,0,0|2,0,1]=4 466 B7R0.16 CC(C)[C@@H](O)C(=O)O MCULE-7719048521 [0,1,0,0,0,0|2,0,1]=4 467 B7R0.16 CC(C)[C@@H](O)C(=O)O MCULE-9864796653 [0,1,0,0,0,0|2,0,1]=4 468 B7R0.16 CC(C)[C@H](Br)C(=O)O MCULE-4863317096 [0,1,0,0,0,0|2,0,1]=4 469 B7R0.16 CC(C)[C@H](Br)C(=O)O MCULE-8695526864 [0,1,0,0,0,0|2,0,1]=4 470 B7R0.16 CC(C)[C@H](C)C(=O)O MCULE-4413397700 [0,1,0,0,0,0|2,0,1]=4 471 B7R0.16 CC(C)[C@H](C)C(=O)O MCULE-6269612306 [0,1,0,0,0,0|2,0,1]=4 472 B7R0.16 CC(C)[C@H](Cl)C(=O)O MCULE-8084934210 [0,1,0,0,0,0|2,0,1]=4 473 B7R0.16 CC(C)[C@H](Cl)C(=O)O MCULE-8307595659 [0,1,0,0,0,0|2,0,1]=4 474 B7R0.16 CC(C)[C@H](N)C(=O)O MCULE-2507309072 [0,1,0,0,0,0|2,0,1]=4 475 B7R0.16 CC(C)[C@H](N)C(=O)O MCULE-9143825935 [0,1,0,0,0,0|2,0,1]=4 476 B7R0.16 CC(C)[C@H](O)C(=O)O MCULE-1975771806 [0,1,0,0,0,0|2,0,1]=4 477 B7R0.16 CC(C)[C@H](O)C(=O)O MCULE-4070611738 [0,1,0,0,0,0|2,0,1]=4 478 B7R0.16 CC(F)C(N)C(=O)O MCULE-8810968604 [0,1,0,0,0,0|2,0,1]=4 479 B7R0.16 CC(N)C(C)C(=O)O MCULE-2921617741 [0,1,0,0,0,0|2,0,1]=4 480 B7R0.16 CC(N)C(C)C(=O)O MCULE-8511267926 [0,1,0,0,0,0|2,0,1]=4 481 B7R0.16 CC(N)C(O)C(=O)O MCULE-1086139043 [0,1,0,0,0,0|2,0,1]=4 482 B7R0.16 CC(N)C(O)C(=O)O MCULE-6405300346 [0,1,0,0,0,0|2,0,1]=4 483 B7R0.16 CC(O)C(C)C(=O)O MCULE-2499360516 [0,1,0,0,0,0|1,0,1]=3 484 B7R0.16 CC(O)C(N)C(=O)N MCULE-1234785834 [0,1,0,0,0,0|2,0,1]=4 485 B7R0.16 CC(O)C(N)C(=O)N MCULE-5867306342 [0,1,0,0,0,0|2,0,1]=4 486 B7R0.16 CC(O)C(N)C(=O)O MCULE-1563595722 [0,1,0,0,0,0|1,0,1]=3 487 B7R0.16 CC(O)C(N)C(=O)O MCULE-5581920538 [0,1,0,0,0,0|1,0,1]=3 488 B7R0.16 CN(C(=O)Cl)C(=O)Cl MCULE-8169088410 [0,1,0,0,0,0|3,0,0]=4 489 B7R0.16 C[C@@H](C(=O)O)N(C)C MCULE-1371350024 [0,1,0,0,0,0|3,0,0]=4 490 B7R0.16 C[C@@H](C(=O)O)N(C)C MCULE-2001661938 [0,1,0,0,0,0|3,0,0]=4 491 B7R0.16 C[C@@H](C(=O)O)N(C)C MCULE-6789128261 [0,1,0,0,0,0|3,0,0]=4 492 B7R0.16 C[C@@H](N)[C@@H](N)C(=O)O MCULE-5302456851 [0,1,0,0,0,0|2,0,1]=4 493 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-1663687439 [0,1,0,0,0,0|1,0,1]=3 494 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-3863591433 [0,1,0,0,0,0|1,0,1]=3 495 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-8080019797 [0,1,0,0,0,0|1,0,1]=3 496 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-9284411012 [0,1,0,0,0,0|1,0,1]=3 497 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-1969228933 [0,1,0,0,0,0|2,0,1]=4 498 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-3285041526 [0,1,0,0,0,0|2,0,1]=4 499 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-5018319528 [0,1,0,0,0,0|2,0,1]=4 500 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-6080625355 [0,1,0,0,0,0|2,0,1]=4 501 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-9393787536 [0,1,0,0,0,0|2,0,1]=4 502 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-9925689829 [0,1,0,0,0,0|2,0,1]=4 503 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-2430667007 [0,1,0,0,0,0|1,0,1]=3 504 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-2676185993 [0,1,0,0,0,0|1,0,1]=3 505 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-5254477364 [0,1,0,0,0,0|1,0,1]=3 506 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-5505393195 [0,1,0,0,0,0|1,0,1]=3 507 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-7379719940 [0,1,0,0,0,0|1,0,1]=3 508 B7R0.16 C[C@@H](O)[C@H](O)C(=O)O MCULE-9383777855 [0,1,0,0,0,0|1,0,1]=3 509 B7R0.16 C[C@H](C(=O)O)N(C)C MCULE-2210848569 [0,1,0,0,0,0|3,0,0]=4 510 B7R0.16 C[C@H](C(=O)O)N(C)C MCULE-5148086527 [0,1,0,0,0,0|3,0,0]=4 511 B7R0.16 C[C@H](C(=O)O)[C@@H](C)N MCULE-2245171795 [0,1,0,0,0,0|2,0,1]=4 512 B7R0.16 C[C@H](C(=O)O)[C@@H](C)N MCULE-2727261050 [0,1,0,0,0,0|2,0,1]=4 513 B7R0.16 C[C@H](C(=O)O)[C@@H](C)O MCULE-8875933839 [0,1,0,0,0,0|1,0,1]=3 514 B7R0.16 C[C@H](N)[C@@H](N)C(=O)O MCULE-9507122128 [0,1,0,0,0,0|2,0,1]=4 515 B7R0.16 C[C@H](N)[C@@H](O)C(=O)O MCULE-2574349608 [0,1,0,0,0,0|2,0,1]=4 516 B7R0.16 C[C@H](N)[C@@H](O)C(=O)O MCULE-6297204649 [0,1,0,0,0,0|2,0,1]=4 517 B7R0.16 C[C@H](N)[C@H](N)C(=O)O MCULE-3178389621 [0,1,0,0,0,0|2,0,1]=4 518 B7R0.16 C[C@H](O)C(N)C(=O)O MCULE-6661175670 [0,1,0,0,0,0|1,0,1]=3 519 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-6288272506 [0,1,0,0,0,0|1,0,1]=3 520 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-7203096302 [0,1,0,0,0,0|1,0,1]=3 521 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-9531951265 [0,1,0,0,0,0|1,0,1]=3 522 B7R0.16 C[C@H](O)[C@H](N)C(=O)O MCULE-2246314901 [0,1,0,0,0,0|1,0,1]=3 523 B7R0.16 C[C@H](O)[C@H](N)C(=O)O MCULE-9478987169 [0,1,0,0,0,0|1,0,1]=3 524 B7R0.16 NC(=O)C(Br)C(=O)N MCULE-7519162871 [0,1,0,0,0,0|2,0,0]=3 525 B7R0.16 NC(=O)C(N)C(=O)N MCULE-5338329205 [0,1,0,0,0,0|2,0,0]=3 526 B7R0.16 NC(C(=O)O)C(=O)O MCULE-6118746267 [0,1,0,0,0,0|0,0,0]=1 527 B7R0.16 O=C(O)C(=C(Cl)Cl)Cl MCULE-4004262160 [0,1,0,0,0,0|2,0,1]=4 528 B7R0.16 O=C(O)C(=O)C(=O)O MCULE-9031084199 [0,1,0,0,0,0|0,0,1]=2 529 B7R0.16 O=C(O)C(Cl)C(=O)O MCULE-9776364495 [0,1,0,0,0,0|0,0,0]=1 530 B7R0.16 O=C(O)C(F)C(=O)O MCULE-9969055570 [0,1,0,0,0,0|0,0,0]=1 531 B7R0.16 O=C(O)C(O)C(=O)O MCULE-4232935518 [0,1,0,0,0,0|0,0,0]=1 532 B7R0.16 O=C(O)C(O)C(F)F MCULE-6750020534 [0,1,0,0,0,0|2,0,1]=4 533 B7R0.16 O=C([O-])C(=O)C(=O)[O-] MCULE-3642448111 [0,1,0,0,0,0|0,0,3]=4 534 B7R0.16 O=C([O-])C(=O)C(=O)[O-] MCULE-7835235837 [0,1,0,0,0,0|0,0,3]=4 535 B7R1.2 C1(CNC(=O)C1)O MCULE-5557473335 [0,0,0,1,0,0|2,0,1]=4 536 B7R1.2 CC1=CC(=O)CO1 MCULE-6570401610 [0,0,0,1,0,0|2,0,1]=4 537 B7R1.2 CC1=CC(=O)NO1 MCULE-4569959155 [0,0,0,1,0,0|2,0,1]=4 538 B7R1.2 CC1=CC(=O)OC1 MCULE-6549202383 [0,0,0,1,0,0|2,0,1]=4 539 B7R1.2 CC1=NNC(=O)C1 MCULE-2406140611 [0,0,0,1,0,0|3,0,0]=4 540 B7R1.2 CC1=NOC(=O)C1 MCULE-2665741338 [0,0,0,1,0,0|2,0,0]=3 541 B7R1.2 CC1=NOC(=O)C1 MCULE-3084424307 [0,0,0,1,0,0|2,0,0]=3 542 B7R1.2 CC1=NOC(=O)O1 MCULE-5416417255 [0,0,0,1,0,0|3,0,0]=4 543 B7R1.2 CC1CC(=O)CO1 MCULE-7022597277 [0,0,0,1,0,0|2,0,1]=4 544 B7R1.2 CC1COC(=O)C1 MCULE-7226555218 [0,0,0,1,0,0|2,0,1]=4 545 B7R1.2 C[C@@H]1COC(=O)C1 MCULE-1121808555 [0,0,0,1,0,0|2,0,1]=4 546 B7R1.2 C[C@@H]1COC(=O)C1 MCULE-1627827491 [0,0,0,1,0,0|2,0,1]=4 547 B7R1.2 C[C@H]1COC(=O)C1 MCULE-6050720348 [0,0,0,1,0,0|2,0,1]=4 548 B7R1.2 NC1=CC(=NO1)O MCULE-4713053247 [0,0,0,1,0,0|2,0,1]=4 549 B7R1.2 NC1=NC(=O)CO1 MCULE-5739646901 [0,0,0,1,0,0|3,0,0]=4 550 B7R1.2 NC1=NNC(=O)C1 MCULE-1000997494 [0,0,0,1,0,0|3,0,0]=4 551 B7R1.2 NC1COC(=O)C1 MCULE-1027386953 [0,0,0,1,0,0|2,0,1]=4 552 B7R1.2 NC1COC(=O)C1 MCULE-1493825051 [0,0,0,1,0,0|2,0,1]=4 553 B7R1.2 NC1COC(=O)C1 MCULE-3118610284 [0,0,0,1,0,0|2,0,1]=4 554 B7R1.2 NC1COC(=O)C1 MCULE-8194840985 [0,0,0,1,0,0|2,0,1]=4 555 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-2437548952 [0,0,0,1,0,0|2,0,1]=4 556 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-4215135536 [0,0,0,1,0,0|2,0,1]=4 557 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-4884145743 [0,0,0,1,0,0|2,0,1]=4 558 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-9276068415 [0,0,0,1,0,0|2,0,1]=4 559 B7R1.2 N[C@H]1COC(=O)C1 MCULE-2936782126 [0,0,0,1,0,0|2,0,1]=4 560 B7R1.2 N[C@H]1COC(=O)C1 MCULE-4255876921 [0,0,0,1,0,0|2,0,1]=4 561 B7R1.2 N[C@H]1COC(=O)C1 MCULE-5377151477 [0,0,0,1,0,0|2,0,1]=4 562 B7R1.2 N[C@H]1COC(=O)C1 MCULE-6406960509 [0,0,0,1,0,0|2,0,1]=4 563 B7R1.2 O=C1C=C(CC1)O MCULE-4815747510 [0,0,0,1,0,0|2,0,1]=4 564 B7R1.2 O=C1C=C(CN1)O MCULE-4305405716 [0,0,0,1,0,0|2,0,1]=4 565 B7R1.2 O=C1C=C(CO1)Br MCULE-8883097432 [0,0,0,1,0,0|2,0,1]=4 566 B7R1.2 O=C1C=C(CO1)O MCULE-5095558101 [0,0,0,1,0,0|1,0,1]=3 567 B7R1.2 O=C1C=CC(=O)C1 MCULE-7662591278 [0,0,0,1,0,0|2,0,0]=3 568 B7R1.2 O=C1C=CC(=O)N1 MCULE-3677915339 [0,0,0,1,0,0|3,0,0]=4 569 B7R1.2 O=C1C=CC(=O)O1 MCULE-5322674641 [0,0,0,1,0,0|3,0,0]=4 570 B7R1.2 O=C1C=CC(C1)O MCULE-6464451546 [0,0,0,1,0,0|2,0,1]=4 571 B7R1.2 O=C1C=C[C@@H](C1)O MCULE-4535052390 [0,0,0,1,0,0|2,0,1]=4 572 B7R1.2 O=C1C=C[C@H](C1)O MCULE-9347047598 [0,0,0,1,0,0|2,0,1]=4 573 B7R1.2 O=C1CC(=CO1)O MCULE-3691688750 [0,0,0,1,0,0|1,0,0]=2 574 B7R1.2 O=C1CC(=O)NN1 MCULE-4591056937 [0,0,0,1,0,0|2,0,0]=3 575 B7R1.2 O=C1CC(CN1)O MCULE-8498039777 [0,0,0,1,0,0|2,0,1]=4 576 B7R1.2 O=C1CC(CO1)O MCULE-3779919332 [0,0,0,1,0,0|1,0,1]=3 577 B7R1.2 O=C1CC(CO1)O MCULE-5609071664 [0,0,0,1,0,0|1,0,1]=3 578 B7R1.2 O=C1CCC(=O)C1 MCULE-6436831689 [0,0,0,1,0,0|2,0,0]=3 579 B7R1.2 O=C1CCC(=O)N1 MCULE-8278049979 [0,0,0,1,0,0|3,0,0]=4 580 B7R1.2 O=C1CCC(=O)O1 MCULE-1458819618 [0,0,0,1,0,0|3,0,0]=4 581 B7R1.2 O=C1CCC(C1)O MCULE-8500536547 [0,0,0,1,0,0|2,0,1]=4 582 B7R1.2 O=C1CNC(=O)C1 MCULE-6981924013 [0,0,0,1,0,0|2,0,0]=3 583 B7R1.2 O=C1CNC(=O)N1 MCULE-6812812243 [0,0,0,1,0,0|3,0,0]=4 584 B7R1.2 O=C1CNC(=O)O1 MCULE-7702120642 [0,0,0,1,0,0|3,0,0]=4 585 B7R1.2 O=C1CNC(=O)S1 MCULE-5050685903 [0,0,0,1,0,0|3,0,0]=4 586 B7R1.2 O=C1COC(=O)C1 MCULE-3258090872 [0,0,0,1,0,0|1,0,0]=2 587 B7R1.2 O=C1COC(=O)N1 MCULE-3103815953 [0,0,0,1,0,0|2,0,0]=3 588 B7R1.2 O=C1COC(=O)[N-]1 MCULE-2786348217 [0,0,0,1,0,0|2,0,0]=3 589 B7R1.2 O=C1CSC(=O)N1 MCULE-8206580994 [0,0,0,1,0,0|2,1,0]=4 590 B7R1.2 O=C1C[C@@H](CN1)O MCULE-2016792324 [0,0,0,1,0,0|2,0,1]=4 591 B7R1.2 O=C1C[C@@H](CN1)O MCULE-9756194758 [0,0,0,1,0,0|2,0,1]=4 592 B7R1.2 O=C1C[C@@H](CO1)O MCULE-1467506377 [0,0,0,1,0,0|1,0,1]=3 593 B7R1.2 O=C1C[C@@H](CO1)O MCULE-3668466479 [0,0,0,1,0,0|1,0,1]=3 594 B7R1.2 O=C1C[C@H](CN1)O MCULE-2017150152 [0,0,0,1,0,0|2,0,1]=4 595 B7R1.2 O=C1C[C@H](CN1)O MCULE-5168961542 [0,0,0,1,0,0|2,0,1]=4 596 B7R1.2 O=C1C[C@H](CO1)O MCULE-5756899897 [0,0,0,1,0,0|1,0,1]=3 597 B7R1.2 O=C1C[C@H](CO1)O MCULE-6247095672 [0,0,0,1,0,0|1,0,1]=3 598 B7R1.2 O=C1NC(=CS1)O MCULE-2237666080 [0,0,0,1,0,0|2,1,0]=4 599 B7R1.2 O=C1NNC(=O)N1 MCULE-5611157961 [0,0,0,1,0,0|3,0,0]=4 600 B7R1.2 O=C1NOC(=O)N1 MCULE-5599103299 [0,0,0,1,0,0|2,0,0]=3 601 B7R1.12 C=C1CC1C(=O)O MCULE-4330944573 [0,0,0,1,0,0|2,0,0]=3 602 B7R1.12 CC1=CC1C(=O)O MCULE-6979504623 [0,0,0,1,0,0|2,0,0]=3 603 B7R1.12 CC1CC1C(=O)O MCULE-1757330006 [0,0,0,1,0,0|2,0,1]=4 604 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O MCULE-1245851874 [0,0,0,1,0,0|2,0,1]=4 605 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O MCULE-9582782871 [0,0,0,1,0,0|2,0,1]=4 606 B7R1.12 C[C@@H]1C[C@H]1C(=O)O MCULE-2621918749 [0,0,0,1,0,0|2,0,1]=4 607 B7R1.12 C[C@@H]1C[C@H]1C(=O)O MCULE-7347988261 [0,0,0,1,0,0|2,0,1]=4 608 B7R1.12 C[C@H]1C[C@@H]1C(=O)O MCULE-4499487863 [0,0,0,1,0,0|2,0,1]=4 609 B7R1.12 C[C@H]1C[C@@H]1C(=O)O MCULE-9300153165 [0,0,0,1,0,0|2,0,1]=4 610 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-4410115478 [0,0,0,1,0,0|2,0,1]=4 611 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-6590525761 [0,0,0,1,0,0|2,0,1]=4 612 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-8070492716 [0,0,0,1,0,0|2,0,1]=4 613 B7R1.12 O=C(O)C1CC1Br MCULE-6387317137 [0,0,0,1,0,0|2,0,1]=4 614 B7R1.12 O=C(O)C1CC1Cl MCULE-8907850405 [0,0,0,1,0,0|2,0,1]=4 615 B7R1.12 O=C(O)C1CC1F MCULE-8258481986 [0,0,0,1,0,0|2,0,1]=4 616 B7R1.12 O=C(O)C1CC1I MCULE-9535592263 [0,0,0,1,0,0|2,0,1]=4 617 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F MCULE-1882710455 [0,0,0,1,0,0|2,0,1]=4 618 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F MCULE-7715660561 [0,0,0,1,0,0|2,0,1]=4 619 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F MCULE-7741460434 [0,0,0,1,0,0|2,0,1]=4 620 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I MCULE-2594739726 [0,0,0,1,0,0|2,0,1]=4 621 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I MCULE-3033770510 [0,0,0,1,0,0|2,0,1]=4 622 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I MCULE-6224902495 [0,0,0,1,0,0|2,0,1]=4 623 B7R1.12 O=C(O)[C@@H]1C[C@H]1Br MCULE-3031410853 [0,0,0,1,0,0|2,0,1]=4 624 B7R1.12 O=C(O)[C@@H]1C[C@H]1F MCULE-1201733028 [0,0,0,1,0,0|2,0,1]=4 625 B7R1.12 O=C(O)[C@@H]1C[C@H]1F MCULE-5963625184 [0,0,0,1,0,0|2,0,1]=4 626 B7R1.12 O=C(O)[C@@H]1C[C@H]1F MCULE-9724617114 [0,0,0,1,0,0|2,0,1]=4 627 B7R1.12 O=C(O)[C@@H]1C[C@H]1I MCULE-3702576454 [0,0,0,1,0,0|2,0,1]=4 628 B7R1.12 O=C(O)[C@H]1C[C@@H]1F MCULE-3766204952 [0,0,0,1,0,0|2,0,1]=4 629 B7R1.12 O=C(O)[C@H]1C[C@@H]1F MCULE-4258983574 [0,0,0,1,0,0|2,0,1]=4 630 B7R1.12 O=C(O)[C@H]1C[C@H]1Br MCULE-3094747797 [0,0,0,1,0,0|2,0,1]=4 631 B7R1.12 O=C(O)[C@H]1C[C@H]1F MCULE-7993479857 [0,0,0,1,0,0|2,0,1]=4 632 B7R1.12 O=C(O)[C@H]1C[C@H]1F MCULE-9922834235 [0,0,0,1,0,0|2,0,1]=4 633 B7R1.12 O=C(O)[C@H]1C[C@H]1I MCULE-5714437007 [0,0,0,1,0,0|2,0,1]=4 634 B7R1.12 O=C(O)[C@H]1C[C@H]1I MCULE-8000208987 [0,0,0,1,0,0|2,0,1]=4 635 B7R1.12 [C@H]1(C[C@H]1C(=O)O)C MCULE-9539625763 [0,0,0,1,0,0|2,0,1]=4 636 B7R1.16 O=C1CS(=O)(=O)C1 MCULE-9020745203 [0,0,0,1,0,0|2,0,1]=4 637 B7R1.20 NC(=O)CC1CO1 MCULE-9954364706 [0,0,0,1,0,0|2,0,1]=4 638 B7R1.20 O=C(O)C=C1CC1 MCULE-7214971091 [0,0,0,1,0,0|2,0,1]=4 639 B7R1.20 O=C(O)CC1CC1 MCULE-3026300598 [0,0,0,1,0,0|2,0,1]=4 640 B7R1.20 O=C(O)CC1CO1 MCULE-5322663834 [0,0,0,1,0,0|1,0,1]=3 641 B7R1.20 O=C(O)C[C@H]1CO1 MCULE-2418249972 [0,0,0,1,0,0|1,0,1]=3 642 B5R0.5 C=C(Br)C(=O)O MCULE-2068246942 [0,0,0,0,1,0|2,0,0]=3 643 B5R0.5 C=C(C)C(=O)C MCULE-5872425076 [0,0,0,0,1,0|3,0,0]=4 644 B5R0.5 C=C(C)C(=O)Cl MCULE-9163474336 [0,0,0,0,1,0|3,0,0]=4 645 B5R0.5 C=C(C)C(=O)N MCULE-3416322097 [0,0,0,0,1,0|3,0,0]=4 646 B5R0.5 C=C(C)C(=O)O MCULE-9899621926 [0,0,0,0,1,0|2,0,0]=3 647 B5R0.5 C=C(C)C(=O)[O-] MCULE-5299174444 [0,0,0,0,1,0|2,0,1]=4 648 B5R0.5 C=C(C)C(=O)[O-] MCULE-7320418926 [0,0,0,0,1,0|2,0,1]=4 649 B5R0.5 C=C(C)C(=O)[O-] MCULE-7347881815 [0,0,0,0,1,0|2,0,1]=4 650 B5R0.5 C=C(Cl)C(=O)O MCULE-8316225208 [0,0,0,0,1,0|2,0,0]=3 651 B5R0.5 C=C(F)C(=O)Cl MCULE-6769824615 [0,0,0,0,1,0|3,0,0]=4 652 B5R0.5 C=C(F)C(=O)O MCULE-7137929861 [0,0,0,0,1,0|2,0,0]=3 653 B5R0.5 C=C(F)C(=O)[O-] MCULE-1806853701 [0,0,0,0,1,0|2,0,1]=4 654 B5R0.5 CC(=O)C(=O)C MCULE-5742661187 [0,0,0,0,1,0|2,0,0]=3 655 B5R0.5 CC(=O)C(=O)Cl MCULE-3413498860 [0,0,0,0,1,0|2,0,0]=3 656 B5R0.5 CC(=O)C(=O)N MCULE-6804734996 [0,0,0,0,1,0|2,0,0]=3 657 B5R0.5 CC(=O)C(=O)O MCULE-8587144313 [0,0,0,0,1,0|1,0,0]=2 658 B5R0.5 CC(=O)C(=O)[O-] MCULE-2773521709 [0,0,0,0,1,0|1,0,1]=3 659 B5R0.5 CC(=O)C(=O)[O-] MCULE-7007482346 [0,0,0,0,1,0|1,0,1]=3 660 B5R0.5 CC(=O)C(=O)[O-] MCULE-8344520452 [0,0,0,0,1,0|1,0,1]=3 661 B5R0.5 CC(=O)C(=S)N MCULE-3142518834 [0,0,0,0,1,0|2,1,0]=4 662 B5R0.5 CC(=O)C(C)O MCULE-5374414264 [0,0,0,0,1,0|2,0,1]=4 663 B5R0.5 CC(Br)C(=O)O MCULE-3935837943 [0,0,0,0,1,0|2,0,1]=4 664 B5R0.5 CC(Br)C(=O)O MCULE-6068441065 [0,0,0,0,1,0|2,0,1]=4 665 B5R0.5 CC(C)C(=O)O MCULE-7783770647 [0,0,0,0,1,0|2,0,1]=4 666 B5R0.5 CC(Cl)C(=O)O MCULE-3597230803 [0,0,0,0,1,0|2,0,1]=4 667 B5R0.5 CC(Cl)C(=O)O MCULE-5449120618 [0,0,0,0,1,0|2,0,1]=4 668 B5R0.5 CC(F)C(=O)O MCULE-7334922730 [0,0,0,0,1,0|2,0,1]=4 669 B5R0.5 CC(N)C(=O)O MCULE-3498369789 [0,0,0,0,1,0|2,0,1]=4 670 B5R0.5 CC(N)C(=O)O MCULE-3809839392 [0,0,0,0,1,0|2,0,1]=4 671 B5R0.5 CC(N)C(=O)O MCULE-4751903561 [0,0,0,0,1,0|2,0,1]=4 672 B5R0.5 CC(N)C(=O)O MCULE-6963397848 [0,0,0,0,1,0|2,0,1]=4 673 B5R0.5 CC(O)C(=O)N MCULE-6247123668 [0,0,0,0,1,0|2,0,1]=4 674 B5R0.5 CC(O)C(=O)N MCULE-7823792358 [0,0,0,0,1,0|2,0,1]=4 675 B5R0.5 CC(O)C(=O)O MCULE-3922256529 [0,0,0,0,1,0|1,0,1]=3 676 B5R0.5 CC(O)C(=O)O MCULE-5387110670 [0,0,0,0,1,0|1,0,1]=3 677 B5R0.5 CC(O)C(=O)[O-] MCULE-1056716990 [0,0,0,0,1,0|1,0,2]=4 678 B5R0.5 CC(O)C(=O)[O-] MCULE-8184872865 [0,0,0,0,1,0|1,0,2]=4 679 B5R0.5 CC(O)C(=O)[O-] MCULE-8730993694 [0,0,0,0,1,0|1,0,2]=4 680 B5R0.5 CC(S)C(=O)O MCULE-6944738352 [0,0,0,0,1,0|1,1,1]=4 681 B5R0.5 CN(C)C(=O)O MCULE-1039144559 [0,0,0,0,1,0|3,0,0]=4 682 B5R0.5 C[C@@H](Br)C(=O)O MCULE-8303539222 [0,0,0,0,1,0|2,0,1]=4 683 B5R0.5 C[C@@H](Br)C(=O)O MCULE-8530283309 [0,0,0,0,1,0|2,0,1]=4 684 B5R0.5 C[C@@H](Cl)C(=O)O MCULE-6578788045 [0,0,0,0,1,0|2,0,1]=4 685 B5R0.5 C[C@@H](Cl)C(=O)O MCULE-8314108697 [0,0,0,0,1,0|2,0,1]=4 686 B5R0.5 C[C@@H](N)C(=O)O MCULE-3571488623 [0,0,0,0,1,0|2,0,1]=4 687 B5R0.5 C[C@@H](N)C(=O)O MCULE-9756365751 [0,0,0,0,1,0|2,0,1]=4 688 B5R0.5 C[C@@H](O)C(=O)N MCULE-2026557726 [0,0,0,0,1,0|2,0,1]=4 689 B5R0.5 C[C@@H](O)C(=O)N MCULE-8056291801 [0,0,0,0,1,0|2,0,1]=4 690 B5R0.5 C[C@@H](O)C(=O)O MCULE-4625208788 [0,0,0,0,1,0|1,0,1]=3 691 B5R0.5 C[C@@H](O)C(=O)O MCULE-9141235095 [0,0,0,0,1,0|1,0,1]=3 692 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-5673591667 [0,0,0,0,1,0|1,0,2]=4 693 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-8146434340 [0,0,0,0,1,0|1,0,2]=4 694 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-9026662277 [0,0,0,0,1,0|1,0,2]=4 695 B5R0.5 C[C@H](Br)C(=O)O MCULE-4788730445 [0,0,0,0,1,0|2,0,1]=4 696 B5R0.5 C[C@H](Br)C(=O)O MCULE-9354978281 [0,0,0,0,1,0|2,0,1]=4 697 B5R0.5 C[C@H](Cl)C(=O)O MCULE-4816831649 [0,0,0,0,1,0|2,0,1]=4 698 B5R0.5 C[C@H](Cl)C(=O)O MCULE-8389122613 [0,0,0,0,1,0|2,0,1]=4 699 B5R0.5 C[C@H](N)C(=O)O MCULE-4916719758 [0,0,0,0,1,0|2,0,1]=4 700 B5R0.5 C[C@H](N)C(=O)O MCULE-5261590548 [0,0,0,0,1,0|2,0,1]=4 701 B5R0.5 C[C@H](N)C(=O)O MCULE-7791919887 [0,0,0,0,1,0|2,0,1]=4 702 B5R0.5 C[C@H](N)C(=O)O MCULE-8724854497 [0,0,0,0,1,0|2,0,1]=4 703 B5R0.5 C[C@H](O)C(=O)N MCULE-8400190365 [0,0,0,0,1,0|2,0,1]=4 704 B5R0.5 C[C@H](O)C(=O)O MCULE-5695391344 [0,0,0,0,1,0|1,0,1]=3 705 B5R0.5 C[C@H](O)C(=O)O MCULE-8864689875 [0,0,0,0,1,0|1,0,1]=3 706 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-1034285072 [0,0,0,0,1,0|1,0,2]=4 707 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-3598405830 [0,0,0,0,1,0|1,0,2]=4 708 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-7525689298 [0,0,0,0,1,0|1,0,2]=4 709 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-8057429776 [0,0,0,0,1,0|1,0,2]=4 710 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-8729310894 [0,0,0,0,1,0|1,0,2]=4 711 B5R0.5 N=C(N)S(=O)O MCULE-7034022108 [0,0,0,0,1,0|3,0,0]=4 712 B5R0.5 NC(=O)C(=O)N MCULE-9024594322 [0,0,0,0,1,0|2,0,0]=3 713 B5R0.5 NC(=O)C(=O)O MCULE-4442165428 [0,0,0,0,1,0|1,0,0]=2 714 B5R0.5 NC(=O)C(=O)[O-] MCULE-6520154385 [0,0,0,0,1,0|1,0,1]=3 715 B5R0.5 NC(=O)C(=O)[O-] MCULE-9489956613 [0,0,0,0,1,0|1,0,1]=3 716 B5R0.5 NC(O)C(=O)O MCULE-6546070388 [0,0,0,0,1,0|1,0,1]=3 717 B5R0.5 O=C(Br)C(=O)Br MCULE-6502494359 [0,0,0,0,1,0|2,0,0]=3 718 B5R0.5 O=C(Cl)C(=O)Cl MCULE-7263932124 [0,0,0,0,1,0|2,0,0]=3 719 B5R0.5 O=C(O)C(=O)O MCULE-2859436444 [0,0,0,0,1,0|0,0,0]=1 720 B5R0.5 O=C(O)C(=O)O MCULE-3054574273 [0,0,0,0,1,0|0,0,0]=1 721 B5R0.5 O=C(O)C(=O)O MCULE-4285591204 [0,0,0,0,1,0|0,0,0]=1 722 B5R0.5 O=C(O)C(=O)O MCULE-4461843798 [0,0,0,0,1,0|0,0,0]=1 723 B5R0.5 O=C(O)C(=O)O MCULE-6031758101 [0,0,0,0,1,0|0,0,0]=1 724 B5R0.5 O=C(O)C(=O)O MCULE-6647815245 [0,0,0,0,1,0|0,0,0]=1 725 B5R0.5 O=C(O)C(=O)O MCULE-7895971003 [0,0,0,0,1,0|0,0,0]=1 726 B5R0.5 O=C(O)C(=O)O MCULE-8046063377 [0,0,0,0,1,0|0,0,0]=1 727 B5R0.5 O=C(O)C(=O)O MCULE-8198551041 [0,0,0,0,1,0|0,0,0]=1 728 B5R0.5 O=C(O)C(=O)O MCULE-8472527874 [0,0,0,0,1,0|0,0,0]=1 729 B5R0.5 O=C(O)C(=O)O MCULE-9701145416 [0,0,0,0,1,0|0,0,0]=1 730 B5R0.5 O=C(O)C(Br)Br MCULE-4908900588 [0,0,0,0,1,0|2,0,1]=4 731 B5R0.5 O=C(O)C(Cl)Br MCULE-4569127340 [0,0,0,0,1,0|2,0,1]=4 732 B5R0.5 O=C(O)C(Cl)Cl MCULE-1246638159 [0,0,0,0,1,0|2,0,1]=4 733 B5R0.5 O=C(O)C(F)Br MCULE-5639771935 [0,0,0,0,1,0|2,0,1]=4 734 B5R0.5 O=C(O)C(F)Cl MCULE-8791727704 [0,0,0,0,1,0|2,0,1]=4 735 B5R0.5 O=C(O)C(F)F MCULE-9791449975 [0,0,0,0,1,0|2,0,1]=4 736 B5R0.5 O=C(O)C(F)I MCULE-2596137309 [0,0,0,0,1,0|2,0,1]=4 737 B5R0.5 O=C(O)C(O)O MCULE-8045135900 [0,0,0,0,1,0|0,0,2]=3 738 B5R0.5 O=C(O)[C@@H](F)Cl MCULE-9934674808 [0,0,0,0,1,0|2,0,1]=4 739 B5R0.5 O=C(O)[C@H](F)Cl MCULE-8184552815 [0,0,0,0,1,0|2,0,1]=4 740 B5R0.5 O=C([O-])C(=O)[O-] MCULE-1850167183 [0,0,0,0,1,0|0,0,2]=3 741 B5R0.5 O=C([O-])C(=O)[O-] MCULE-2102182772 [0,0,0,0,1,0|0,0,2]=3 742 B5R0.5 O=C([O-])C(=O)[O-] MCULE-2594600365 [0,0,0,0,1,0|0,0,2]=3 743 B5R0.5 O=C([O-])C(=O)[O-] MCULE-2876490980 [0,0,0,0,1,0|0,0,2]=3 744 B5R0.5 O=C([O-])C(=O)[O-] MCULE-4875218588 [0,0,0,0,1,0|0,0,2]=3 745 B5R0.5 O=C([O-])C(=O)[O-] MCULE-6598296804 [0,0,0,0,1,0|0,0,2]=3 746 B5R0.5 O=C([O-])C(=O)[O-] MCULE-6729461006 [0,0,0,0,1,0|0,0,2]=3 747 B5R0.5 O=C([O-])C(=O)[O-] MCULE-7607695802 [0,0,0,0,1,0|0,0,2]=3 748 B5R0.5 [C@@H](C)(O)C(=O)N MCULE-6953360641 [0,0,0,0,1,0|2,0,1]=4 749 B7R0.6 C=C(Br)CCC(=O)O MCULE-5257916083 [0,0,0,0,0,1|2,0,0]=3 750 B7R0.6 C=C(Br)CNC(=O)C MCULE-4123179812 [0,0,0,0,0,1|3,0,0]=4 751 B7R0.6 C=C(C)CCC(=O)C MCULE-4201277876 [0,0,0,0,0,1|3,0,0]=4 752 B7R0.6 C=C(C)CCC(=O)N MCULE-7602727888 [0,0,0,0,0,1|3,0,0]=4 753 B7R0.6 C=C(C)CCC(=O)O MCULE-8738532812 [0,0,0,0,0,1|2,0,0]=3 754 B7R0.6 C=C(C)COC(=O)C MCULE-7739945243 [0,0,0,0,0,1|3,0,0]=4 755 B7R0.6 C=C(C)NCC(=O)O MCULE-6347105994 [0,0,0,0,0,1|2,0,0]=3 756 B7R0.6 C=C(Cl)CCC(=O)O MCULE-8617886776 [0,0,0,0,0,1|2,0,0]=3 757 B7R0.6 C=C(Cl)CSC(=O)C MCULE-4264447992 [0,0,0,0,0,1|3,0,0]=4 758 B7R0.6 CC(=CCC(=O)O)C MCULE-2552993418 [0,0,0,0,0,1|2,0,0]=3 759 B7R0.6 CC(=CCC(=O)[O-])C MCULE-6283758684 [0,0,0,0,0,1|2,0,1]=4 760 B7R0.6 CC(=O)/C=C/C(=O)O MCULE-8768861026 [0,0,0,0,0,1|1,0,1]=3 761 B7R0.6 CC(=O)C=CC(=O)C MCULE-9472466140 [0,0,0,0,0,1|2,0,1]=4 762 B7R0.6 CC(=O)C=CC(=O)Cl MCULE-8865772819 [0,0,0,0,0,1|2,0,1]=4 763 B7R0.6 CC(=O)C=CC(=O)O MCULE-6867353277 [0,0,0,0,0,1|1,0,1]=3 764 B7R0.6 CC(=O)CCC(=O)C MCULE-3166810473 [0,0,0,0,0,1|2,0,0]=3 765 B7R0.6 CC(=O)CCC(=O)N MCULE-8943258659 [0,0,0,0,0,1|2,0,0]=3 766 B7R0.6 CC(=O)CCC(=O)O MCULE-1392778065 [0,0,0,0,0,1|1,0,0]=2 767 B7R0.6 CC(=O)CCC(=O)[O-] MCULE-4975344808 [0,0,0,0,0,1|1,0,1]=3 768 B7R0.6 CC(=O)CCN(=O)=O MCULE-4726243654 [0,0,0,0,0,1|2,0,1]=4 769 B7R0.6 CC(=O)CNC(=O)C MCULE-7941086302 [0,0,0,0,0,1|2,0,0]=3 770 B7R0.6 CC(=O)CNC(=O)Cl MCULE-2043888982 [0,0,0,0,0,1|2,0,0]=3 771 B7R0.6 CC(=O)COC(=O)C MCULE-2994552521 [0,0,0,0,0,1|2,0,0]=3 772 B7R0.6 CC(=O)NCC(=O)Cl MCULE-3900899057 [0,0,0,0,0,1|2,0,0]=3 773 B7R0.6 CC(=O)NCC(=O)N MCULE-7934502236 [0,0,0,0,0,1|2,0,0]=3 774 B7R0.6 CC(=O)NCC(=O)O MCULE-5811325186 [0,0,0,0,0,1|1,0,0]=2 775 B7R0.6 CC(=O)NCC(C)O MCULE-2406798273 [0,0,0,0,0,1|2,0,1]=4 776 B7R0.6 CC(=O)NNC(=O)C MCULE-3292268906 [0,0,0,0,0,1|3,0,0]=4 777 B7R0.6 CC(=O)OCC(=O)Cl MCULE-3086938222 [0,0,0,0,0,1|2,0,0]=3 778 B7R0.6 CC(=O)OCC(=O)O MCULE-6837320824 [0,0,0,0,0,1|1,0,0]=2 779 B7R0.6 CC(=O)OCC(=S)N MCULE-7893306089 [0,0,0,0,0,1|2,1,0]=4 780 B7R0.6 CC(=O)OCC(C)O MCULE-3660209140 [0,0,0,0,0,1|2,0,1]=4 781 B7R0.6 CC(=O)SCC(=O)O MCULE-1974657694 [0,0,0,0,0,1|1,0,0]=2 782 B7R0.6 CC(=S)NCC(=O)O MCULE-9052571833 [0,0,0,0,0,1|1,1,0]=3 783 B7R0.6 CC(C)CCC(=O)O MCULE-7691755837 [0,0,0,0,0,1|2,0,1]=4 784 B7R0.6 CC(C)NCC(=O)O MCULE-4344882030 [0,0,0,0,0,1|2,0,1]=4 785 B7R0.6 CC(C)NCC(=O)O MCULE-7052227156 [0,0,0,0,0,1|2,0,1]=4 786 B7R0.6 CC(C)OCC(=O)O MCULE-8295905061 [0,0,0,0,0,1|2,0,1]=4 787 B7R0.6 CC(C)SCC(=O)O MCULE-3990750464 [0,0,0,0,0,1|2,0,1]=4 788 B7R0.6 CC(N)CCC(=O)O MCULE-3711689460 [0,0,0,0,0,1|2,0,1]=4 789 B7R0.6 CC(N)CCC(=O)O MCULE-5008572656 [0,0,0,0,0,1|2,0,1]=4 790 B7R0.6 CC(O)CCC(=O)O MCULE-6352217997 [0,0,0,0,0,1|1,0,1]=3 791 B7R0.6 CC(O)CCC(=O)[O-] MCULE-5872581098 [0,0,0,0,0,1|1,0,2]=4 792 B7R0.6 CC(S)CCC(=O)O MCULE-9612173883 [0,0,0,0,0,1|1,1,1]=4 793 B7R0.6 CN(C)CCC(=O)O MCULE-5553815845 [0,0,0,0,0,1|3,0,0]=4 794 B7R0.6 CN(C)CCC(=O)O MCULE-7454823322 [0,0,0,0,0,1|3,0,0]=4 795 B7R0.6 CS(=O)CCC(=O)O MCULE-8243349779 [0,0,0,0,0,1|2,0,0]=3 796 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-3295260637 [0,0,0,0,0,1|2,0,1]=4 797 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-5409083898 [0,0,0,0,0,1|2,0,1]=4 798 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-6530230723 [0,0,0,0,0,1|2,0,1]=4 799 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-7530095699 [0,0,0,0,0,1|2,0,1]=4 800 B7R0.6 C[C@@H](O)COC(=O)O MCULE-3794886346 [0,0,0,0,0,1|1,0,1]=3 801 B7R0.6 C[C@H](N)CCC(=O)O MCULE-3621527632 [0,0,0,0,0,1|2,0,1]=4 802 B7R0.6 C[C@H](N)CCC(=O)O MCULE-7670557122 [0,0,0,0,0,1|2,0,1]=4 803 B7R0.6 C[S+](C)CCC(=O)O MCULE-8115187503 [0,0,0,0,0,1|3,0,0]=4 804 B7R0.6 C[S+](C)CCC(=O)O MCULE-9668037011 [0,0,0,0,0,1|3,0,0]=4 805 B7R0.6 N=C(N)NCC(=O)O MCULE-8180759180 [0,0,0,0,0,1|2,0,0]=3 806 B7R0.6 N=C(N)NCC(=O)O MCULE-8327589872 [0,0,0,0,0,1|2,0,0]=3 807 B7R0.6 N=C(N)SCC(=O)N MCULE-5295318661 [0,0,0,0,0,1|3,0,0]=4 808 B7R0.6 N=C(N)SCC(=O)N MCULE-9179434239 [0,0,0,0,0,1|3,0,0]=4 809 B7R0.6 N=C(N)SCC(=O)O MCULE-2089510220 [0,0,0,0,0,1|2,0,0]=3 810 B7R0.6 N=C(N)SCC(=O)O MCULE-3427937751 [0,0,0,0,0,1|2,0,0]=3 811 B7R0.6 NC(=O)/C=C/C(=O)N MCULE-4395066945 [0,0,0,0,0,1|2,0,1]=4 812 B7R0.6 NC(=O)/C=C/C(=O)O MCULE-4042951919 [0,0,0,0,0,1|1,0,1]=3 813 B7R0.6 NC(=O)/C=C\C(=O)O MCULE-9066996879 [0,0,0,0,0,1|1,0,1]=3 814 B7R0.6 NC(=O)/N=N/C(=O)N MCULE-4339161906 [0,0,0,0,0,1|3,0,0]=4 815 B7R0.6 NC(=O)C#CC(=O)N MCULE-4585775503 [0,0,0,0,0,1|2,0,1]=4 816 B7R0.6 NC(=O)C=CC(=O)N MCULE-6392282813 [0,0,0,0,0,1|2,0,1]=4 817 B7R0.6 NC(=O)C=CC(=O)O MCULE-2401877342 [0,0,0,0,0,1|1,0,1]=3 818 B7R0.6 NC(=O)CCC(=O)N MCULE-2107382817 [0,0,0,0,0,1|2,0,0]=3 819 B7R0.6 NC(=O)CCC(=O)O MCULE-5813999826 [0,0,0,0,0,1|1,0,0]=2 820 B7R0.6 NC(=O)CNC(=S)N MCULE-6504333241 [0,0,0,0,0,1|2,1,0]=4 821 B7R0.6 NC(=O)N=NC(=O)N MCULE-2129487615 [0,0,0,0,0,1|3,0,0]=4 822 B7R0.6 NC(=O)NCC(=O)O MCULE-7640310218 [0,0,0,0,0,1|1,0,0]=2 823 B7R0.6 NC(=O)NNC(=O)N MCULE-1306740070 [0,0,0,0,0,1|3,0,0]=4 824 B7R0.6 NC(=O)SCC(=O)O MCULE-2409074226 [0,0,0,0,0,1|1,0,0]=2 825 B7R0.6 NC(=S)NCC(=O)O MCULE-7421473219 [0,0,0,0,0,1|1,1,0]=3 826 B7R0.6 O=C(Cl)/C=C/C(=O)Cl MCULE-6214609191 [0,0,0,0,0,1|2,0,1]=4 827 B7R0.6 O=C(Cl)C=CC(=O)Cl MCULE-7022763562 [0,0,0,0,0,1|2,0,1]=4 828 B7R0.6 O=C(Cl)CCC(=O)Cl MCULE-6220065982 [0,0,0,0,0,1|2,0,0]=3 829 B7R0.6 O=C(O)/C=C/C(=O)O MCULE-3549142744 [0,0,0,0,0,1|0,0,1]=2 830 B7R0.6 O=C(O)/C=C/C(=O)O MCULE-5263906793 [0,0,0,0,0,1|0,0,1]=2 831 B7R0.6 O=C(O)/C=C\C(=O)O MCULE-1113222985 [0,0,0,0,0,1|0,0,1]=2 832 B7R0.6 O=C(O)C#CC(=O)O MCULE-3952041688 [0,0,0,0,0,1|0,0,1]=2 833 B7R0.6 O=C(O)C=CC(=O)O MCULE-5329407890 [0,0,0,0,0,1|0,0,1]=2 834 B7R0.6 O=C(O)C=CC(=O)O MCULE-7492596773 [0,0,0,0,0,1|0,0,1]=2 835 B7R0.6 O=C(O)C=CC(=O)O MCULE-8076793268 [0,0,0,0,0,1|0,0,1]=2 836 B7R0.6 O=C(O)C=CC(=O)O MCULE-9488315563 [0,0,0,0,0,1|0,0,1]=2 837 B7R0.6 O=C(O)C=CC(=O)O MCULE-9920754312 [0,0,0,0,0,1|0,0,1]=2 838 B7R0.6 O=C(O)CCB(O)O MCULE-9351023222 [0,0,0,0,0,1|1,0,1]=3 839 B7R0.6 O=C(O)CCC(=O)O MCULE-1233211613 [0,0,0,0,0,1|0,0,0]=1 840 B7R0.6 O=C(O)CCC(=O)O MCULE-5889111640 [0,0,0,0,0,1|0,0,0]=1 841 B7R0.6 O=C(O)CCC(F)F MCULE-6002651269 [0,0,0,0,0,1|2,0,1]=4 842 B7R0.6 O=C(O)CCN(=O)=O MCULE-1879231817 [0,0,0,0,0,1|1,0,1]=3 843 B7R0.6 O=C(O)COC(F)F MCULE-1418551422 [0,0,0,0,0,1|2,0,1]=4 844 B7R0.6 O=C(O)CSC(F)F MCULE-6609650116 [0,0,0,0,0,1|2,0,1]=4 845 B7R0.6 O=C(O)N=NC(=O)O MCULE-6858626658 [0,0,0,0,0,1|1,0,0]=2 846 B7R0.6 O=C([O-])/C=C/C(=O)[O-] MCULE-2177227992 [0,0,0,0,0,1|0,0,3]=4 847 B7R0.6 O=C([O-])C#CC(=O)O MCULE-8275918466 [0,0,0,0,0,1|0,0,2]=3 848 B7R0.6 O=C([O-])C#CC(=O)[O-] MCULE-8160569506 [0,0,0,0,0,1|0,0,3]=4 849 B7R0.6 O=C([O-])C=CC(=O)[O-] MCULE-1618249570 [0,0,0,0,0,1|0,0,3]=4 850 B7R0.6 O=C([O-])CCC(=O)O MCULE-9149947862 [0,0,0,0,0,1|0,0,1]=2 851 B7R0.6 O=C([O-])CCC(=O)[O-] MCULE-6304944077 [0,0,0,0,0,1|0,0,2]=3 852 B7R0.6 O=C([O-])N=NC(=O)[O-] MCULE-3382785265 [0,0,0,0,0,1|1,0,2]=4 853 B4R0.1 C#CC(=O)O MCULE-8764256624 [2,0,0,0,0,0|0,0,2]=4 854 B4R0.1 C=C(Br)C=O MCULE-9500973388 [2,0,0,0,0,0|2,0,0]=4 855 B4R0.1 C=C(Br)CO MCULE-7763893047 [2,0,0,0,0,0|2,0,0]=4 856 B4R0.1 C=C(C)C=O MCULE-3758355501 [2,0,0,0,0,0|2,0,0]=4 857 B4R0.1 C=C(C)CO MCULE-8641288398 [2,0,0,0,0,0|2,0,0]=4 858 B4R0.1 C=C(Cl)CO MCULE-8813337564 [2,0,0,0,0,0|2,0,0]=4 859 B4R0.1 C=C(F)CO MCULE-2779963696 [2,0,0,0,0,0|2,0,0]=4 860 B4R0.1 C=C(I)CO MCULE-2533897125 [2,0,0,0,0,0|2,0,0]=4 861 B4R0.1 C=CC(=O)C MCULE-4924646293 [2,0,0,0,0,0|1,0,1]=4 862 B4R0.1 C=CC(=O)Cl MCULE-3579233798 [2,0,0,0,0,0|1,0,1]=4 863 B4R0.1 C=CC(=O)N MCULE-4309430654 [2,0,0,0,0,0|1,0,1]=4 864 B4R0.1 C=CC(=O)O MCULE-9352227082 [2,0,0,0,0,0|0,0,1]=3 865 B4R0.1 C=CC(=O)[O-] MCULE-3928960314 [2,0,0,0,0,0|0,0,2]=4 866 B4R0.1 C=CC(=O)[O-] MCULE-4331301308 [2,0,0,0,0,0|0,0,2]=4 867 B4R0.1 C=CC(=O)[O-] MCULE-5516854555 [2,0,0,0,0,0|0,0,2]=4 868 B4R0.1 CC(=O)C=O MCULE-2718961814 [2,0,0,0,0,0|1,0,0]=3 869 B4R0.1 CC(=O)CBr MCULE-7812920675 [2,0,0,0,0,0|2,0,0]=4 870 B4R0.1 CC(=O)CCl MCULE-2501365933 [2,0,0,0,0,0|2,0,0]=4 871 B4R0.1 CC(=O)CF MCULE-7417279999 [2,0,0,0,0,0|2,0,0]=4 872 B4R0.1 CC(=O)CN MCULE-2715277783 [2,0,0,0,0,0|2,0,0]=4 873 B4R0.1 CC(=O)CN MCULE-6004541862 [2,0,0,0,0,0|2,0,0]=4 874 B4R0.1 CC(=O)CO MCULE-2989526028 [2,0,0,0,0,0|1,0,0]=3 875 B4R0.1 CC(=O)CS MCULE-9736174016 [2,0,0,0,0,0|1,1,0]=4 876 B4R0.1 CC(=O)NO MCULE-2682231025 [2,0,0,0,0,0|2,0,0]=4 877 B4R0.1 CC(=O)OO MCULE-6028338742 [2,0,0,0,0,0|2,0,0]=4 878 B4R0.1 CC(O)CO MCULE-5574440784 [2,0,0,0,0,0|1,0,1]=4 879 B4R0.1 CC(O)CO MCULE-8743139013 [2,0,0,0,0,0|1,0,1]=4 880 B4R0.1 CCC(=O)Br MCULE-7870678619 [2,0,0,0,0,0|1,0,1]=4 881 B4R0.1 CCC(=O)C MCULE-8276670748 [2,0,0,0,0,0|1,0,1]=4 882 B4R0.1 CCC(=O)Cl MCULE-3081874391 [2,0,0,0,0,0|1,0,1]=4 883 B4R0.1 CCC(=O)F MCULE-8783887670 [2,0,0,0,0,0|1,0,1]=4 884 B4R0.1 CCC(=O)N MCULE-3730796130 [2,0,0,0,0,0|1,0,1]=4 885 B4R0.1 CCC(=O)O MCULE-2199051150 [2,0,0,0,0,0|0,0,1]=3 886 B4R0.1 CCC(=O)O MCULE-9800054040 [2,0,0,0,0,0|0,0,1]=3 887 B4R0.1 CCC(=O)S MCULE-3392119766 [2,0,0,0,0,0|0,1,1]=4 888 B4R0.1 CCC(=O)[O-] MCULE-6321502767 [2,0,0,0,0,0|0,0,2]=4 889 B4R0.1 CCS(=O)O MCULE-9872932319 [2,0,0,0,0,0|1,0,1]=4 890 B4R0.1 C[C@@H](O)C=O MCULE-5921136435 [2,0,0,0,0,0|1,0,1]=4 891 B4R0.1 C[C@@H](O)CO MCULE-4464598400 [2,0,0,0,0,0|1,0,1]=4 892 B4R0.1 C[C@@H](O)CO MCULE-9914833832 [2,0,0,0,0,0|1,0,1]=4 893 B4R0.1 C[C@H](O)CO MCULE-6582852191 [2,0,0,0,0,0|1,0,1]=4 894 B4R0.1 C[C@H](O)CO MCULE-8074793296 [2,0,0,0,0,0|1,0,1]=4 895 B4R0.1 N=C(N)CO MCULE-5146395919 [2,0,0,0,0,0|2,0,0]=4 896 B4R0.1 N=C(N)CO MCULE-8814507460 [2,0,0,0,0,0|2,0,0]=4 897 B4R0.1 NC(=O)CBr MCULE-9306090536 [2,0,0,0,0,0|2,0,0]=4 898 B4R0.1 NC(=O)CCl MCULE-3241549842 [2,0,0,0,0,0|2,0,0]=4 899 B4R0.1 NC(=O)CF MCULE-3344212657 [2,0,0,0,0,0|2,0,0]=4 900 B4R0.1 NC(=O)CI MCULE-4217973413 [2,0,0,0,0,0|2,0,0]=4 901 B4R0.1 NC(=O)CO MCULE-2739878376 [2,0,0,0,0,0|1,0,0]=3 902 B4R0.1 NC(=O)CS MCULE-2639305532 [2,0,0,0,0,0|1,1,0]=4 903 B4R0.1 NC(=O)NO MCULE-9465284053 [2,0,0,0,0,0|2,0,0]=4 904 B4R0.1 NC(=S)CO MCULE-9301705313 [2,0,0,0,0,0|1,1,0]=4 905 B4R0.1 NCC(=O)N MCULE-1048848056 [2,0,0,0,0,0|2,0,0]=4 906 B4R0.1 NCC(=O)N MCULE-2174395809 [2,0,0,0,0,0|2,0,0]=4 907 B4R0.1 NCC(=O)N MCULE-6113166250 [2,0,0,0,0,0|2,0,0]=4 908 B4R0.1 NCC(=O)O MCULE-2415764032 [2,0,0,0,0,0|1,0,0]=3 909 B4R0.1 NCC(=O)O MCULE-3643110755 [2,0,0,0,0,0|1,0,0]=3 910 B4R0.1 NCC(=O)O MCULE-4349255299 [2,0,0,0,0,0|1,0,0]=3 911 B4R0.1 NCC(=O)O MCULE-9146223615 [2,0,0,0,0,0|1,0,0]=3 912 B4R0.1 NCC(=O)O MCULE-9701991737 [2,0,0,0,0,0|1,0,0]=3 913 B4R0.1 NCC(=O)S MCULE-9837799864 [2,0,0,0,0,0|1,1,0]=4 914 B4R0.1 NCC(=O)[O-] MCULE-5975202378 [2,0,0,0,0,0|1,0,1]=4 915 B4R0.1 O=C(Br)CBr MCULE-6031858200 [2,0,0,0,0,0|2,0,0]=4 916 B4R0.1 O=C(Cl)CBr MCULE-7684029984 [2,0,0,0,0,0|2,0,0]=4 917 B4R0.1 O=C(Cl)CCl MCULE-7076914635 [2,0,0,0,0,0|2,0,0]=4 918 B4R0.1 O=C(Cl)CF MCULE-7182087882 [2,0,0,0,0,0|2,0,0]=4 919 B4R0.1 O=C(Cl)CI MCULE-5719121455 [2,0,0,0,0,0|2,0,0]=4 920 B4R0.1 O=C(O)CBr MCULE-1503716137 [2,0,0,0,0,0|1,0,0]=3 921 B4R0.1 O=C(O)CCl MCULE-9228754880 [2,0,0,0,0,0|1,0,0]=3 922 B4R0.1 O=C(O)CF MCULE-6584094437 [2,0,0,0,0,0|1,0,0]=3 923 B4R0.1 O=C(O)CI MCULE-3146792857 [2,0,0,0,0,0|1,0,0]=3 924 B4R0.1 O=C(O)CO MCULE-9792551388 [2,0,0,0,0,0|0,0,0]=2 925 B4R0.1 O=C(O)CS MCULE-8097997001 [2,0,0,0,0,0|0,1,0]=3 926 B4R0.1 O=C([O-])CF MCULE-8428965857 [2,0,0,0,0,0|1,0,1]=4 927 B4R0.1 O=C([O-])CO MCULE-2780567509 [2,0,0,0,0,0|0,0,1]=3 928 B4R0.1 O=C([O-])CS MCULE-3314809220 [2,0,0,0,0,0|0,1,1]=4 929 B4R0.1 O=C([O-])CS MCULE-5989133747 [2,0,0,0,0,0|0,1,1]=4 930 B4R0.1 O=CC(=O)O MCULE-5307898766 [2,0,0,0,0,0|0,0,0]=2 931 B4R0.1 O=S(O)CO MCULE-4195832185 [2,0,0,0,0,0|1,0,0]=3 932 B4R0.1 O=S([O-])CO MCULE-5211722344 [2,0,0,0,0,0|1,0,1]=4 933 B4R0.1 P(=O)(O)CN MCULE-5441171864 [2,0,0,0,0,0|2,0,0]=4 934 B4R0.2 C/C=C/C=O MCULE-9924705308 [2,0,0,0,0,0|1,0,1]=4 935 B4R0.2 C=CCCO MCULE-4582400839 [2,0,0,0,0,0|1,0,1]=4 936 B4R0.2 C=CNC=O MCULE-8403928899 [2,0,0,0,0,0|2,0,0]=4 937 B4R0.2 CC=CC=O MCULE-2497362981 [2,0,0,0,0,0|1,0,1]=4 938 B4R0.2 CCCC=O MCULE-8530391347 [2,0,0,0,0,0|1,0,1]=4 939 B4R0.2 COCC=O MCULE-9427361019 [2,0,0,0,0,0|2,0,0]=4 940 B4R0.2 N/C=C/C=O MCULE-2444951625 [2,0,0,0,0,0|1,0,1]=4 941 B4R0.2 NC=CC=O MCULE-4070918342 [2,0,0,0,0,0|1,0,1]=4 942 B4R0.2 O=CCCBr MCULE-4107157458 [2,0,0,0,0,0|1,0,1]=4 943 B4R0.2 O=CCCCl MCULE-5863929313 [2,0,0,0,0,0|1,0,1]=4 944 B4R0.2 O=CCCI MCULE-9771140462 [2,0,0,0,0,0|1,0,1]=4 945 B4R0.2 O=CCCO MCULE-1685289763 [2,0,0,0,0,0|0,0,1]=3 946 B4R0.2 O=CNC=O MCULE-3098379420 [2,0,0,0,0,0|1,0,0]=3 947 B4R0.2 O=COC=O MCULE-6311384332 [2,0,0,0,0,0|1,0,0]=3 948 B4R0.2 O=C[N-]C=O MCULE-4923470284 [2,0,0,0,0,0|1,0,0]=3 949 B4R0.2 OCCCO MCULE-5166824786 [2,0,0,0,0,0|0,0,2]=4 950 B6R0.1 C#CCC(=O)OC MCULE-8097491486 [1,1,0,0,0,0|1,0,1]=4 951 B6R0.1 C/C=C/C(=O)OC MCULE-8935178488 [1,1,0,0,0,0|1,0,1]=4 952 B6R0.1 C=CC/C(=N/O)/N MCULE-6681864760 [1,1,0,0,0,0|2,0,0]=4 953 B6R0.1 C=CCC(=O)CN MCULE-3960819679 [1,1,0,0,0,0|2,0,0]=4 954 B6R0.1 C=CCC(=O)CN MCULE-8089375331 [1,1,0,0,0,0|2,0,0]=4 955 B6R0.1 C=CCC(=O)NC MCULE-4823208577 [1,1,0,0,0,0|2,0,0]=4 956 B6R0.1 C=CCC(=O)OC MCULE-5546680906 [1,1,0,0,0,0|1,0,0]=3 957 B6R0.1 CC=CC(=O)OC MCULE-1093700917 [1,1,0,0,0,0|1,0,1]=4 958 B6R0.1 CCCC(=O)CO MCULE-6518249412 [1,1,0,0,0,0|1,0,1]=4 959 B6R0.1 CCCC(=O)NO MCULE-8710375368 [1,1,0,0,0,0|1,0,1]=4 960 B6R0.1 CCCC(=O)OC MCULE-1092030267 [1,1,0,0,0,0|1,0,1]=4 961 B6R0.1 CNC(=O)CCO MCULE-3222339741 [1,1,0,0,0,0|1,0,1]=4 962 B6R0.1 CNCC(=O)OC MCULE-1667683926 [1,1,0,0,0,0|2,0,0]=4 963 B6R0.1 CNCC(=O)OC MCULE-5530863658 [1,1,0,0,0,0|2,0,0]=4 964 B6R0.1 COC(=N)CCO MCULE-1904978557 [1,1,0,0,0,0|1,0,1]=4 965 B6R0.1 COC(=N)CCO MCULE-8146089973 [1,1,0,0,0,0|1,0,1]=4 966 B6R0.1 COC(=O)/C=C/Br MCULE-8282646495 [1,1,0,0,0,0|1,0,1]=4 967 B6R0.1 COC(=O)/C=C/I MCULE-2652779390 [1,1,0,0,0,0|1,0,1]=4 968 B6R0.1 COC(=O)/C=C\Br MCULE-8147758029 [1,1,0,0,0,0|1,0,1]=4 969 B6R0.1 COC(=O)/C=C\I MCULE-9091408550 [1,1,0,0,0,0|1,0,1]=4 970 B6R0.1 COC(=O)C=CBr MCULE-6878439912 [1,1,0,0,0,0|1,0,1]=4 971 B6R0.1 COC(=O)C=CCl MCULE-6895925134 [1,1,0,0,0,0|1,0,1]=4 972 B6R0.1 COC(=O)C=CI MCULE-1616048599 [1,1,0,0,0,0|1,0,1]=4 973 B6R0.1 COC(=O)C=CN MCULE-4685220707 [1,1,0,0,0,0|1,0,1]=4 974 B6R0.1 COC(=O)CC#N MCULE-2699345092 [1,1,0,0,0,0|1,0,1]=4 975 B6R0.1 COC(=O)CC=O MCULE-6624474559 [1,1,0,0,0,0|0,0,0]=2 976 B6R0.1 COC(=O)CCBr MCULE-3565567444 [1,1,0,0,0,0|1,0,1]=4 977 B6R0.1 COC(=O)CCCl MCULE-5034007224 [1,1,0,0,0,0|1,0,1]=4 978 B6R0.1 COC(=O)CCI MCULE-5984806612 [1,1,0,0,0,0|1,0,1]=4 979 B6R0.1 COC(=O)CCN MCULE-2306060188 [1,1,0,0,0,0|1,0,1]=4 980 B6R0.1 COC(=O)CCN MCULE-8245275833 [1,1,0,0,0,0|1,0,1]=4 981 B6R0.1 COC(=O)CCO MCULE-8538834260 [1,1,0,0,0,0|0,0,1]=3 982 B6R0.1 COC(=O)CCS MCULE-1695345183 [1,1,0,0,0,0|0,1,1]=4 983 B6R0.1 COC(=O)CNN MCULE-3287579794 [1,1,0,0,0,0|2,0,0]=4 984 B6R0.1 COC(=O)CNN MCULE-3838874166 [1,1,0,0,0,0|2,0,0]=4 985 B6R0.1 COC(=O)CON MCULE-4799038238 [1,1,0,0,0,0|2,0,0]=4 986 B6R0.1 COC(=O)CSC MCULE-6735536033 [1,1,0,0,0,0|2,0,0]=4 987 B6R0.1 COC(=O)NC=O MCULE-9852632340 [1,1,0,0,0,0|1,0,0]=3 988 B6R0.1 COC(C)CC=O MCULE-7243333697 [1,1,0,0,0,0|1,0,1]=4 989 B6R0.1 COCC(=O)OC MCULE-8337685268 [1,1,0,0,0,0|2,0,0]=4 990 B6R0.1 N/C(=N\O)/CCO MCULE-1794050637 [1,1,0,0,0,0|1,0,1]=4 991 B6R0.1 NNC(=O)CCO MCULE-6184351353 [1,1,0,0,0,0|1,0,1]=4 992 B6R0.1 O=C(CCCl)NO MCULE-5569658108 [1,1,0,0,0,0|1,0,1]=4 993 B6R0.1 O=CC[C@H](O)CCl MCULE-6385696769 [1,1,0,0,0,0|1,0,1]=4 994 B6R0.3 C#CC(O)C(=O)O MCULE-4214673632 [1,1,0,0,0,0|1,0,1]=4 995 B6R0.3 C(C)(OC)C(=O)O MCULE-4852209230 [1,1,0,0,0,0|2,0,0]=4 996 B6R0.3 C(N)(CO)C(=O)N MCULE-5512645571 [1,1,0,0,0,0|1,0,1]=4 997 B6R0.3 C(N)(CO)C(=O)N MCULE-5852943337 [1,1,0,0,0,0|1,0,1]=4 998 B6R0.3 C/C=C(/C)\C(=O)O MCULE-2116066534 [1,1,0,0,0,0|1,0,1]=4 999 B6R0.3 C/C=C(\Br)/C(=O)O MCULE-5940308548 [1,1,0,0,0,0|1,0,1]=4 1000 B6R0.3 C/C=C(\C)/C(=O)O MCULE-4890719796 [1,1,0,0,0,0|1,0,1]=4 1001 B6R0.3 C/C=C(\O)/C(=O)O MCULE-9596699660 [1,1,0,0,0,0|1,0,1]=4 1002 B6R0.3 C=C(CO)C(=O)O MCULE-9731648602 [1,1,0,0,0,0|0,0,2]=4 1003 B6R0.3 C=CC(=O)C(=O)O MCULE-9816982424 [1,1,0,0,0,0|1,0,1]=4 1004 B6R0.3 C=CC(C)C(=O)O MCULE-7280145889 [1,1,0,0,0,0|1,0,0]=3 1005 B6R0.3 C=CC(N)C(=O)O MCULE-2000511750 [1,1,0,0,0,0|1,0,0]=3 1006 B6R0.3 C=CC(N)C(=O)O MCULE-7504415267 [1,1,0,0,0,0|1,0,0]=3 1007 B6R0.3 C=CC(N)C(=O)O MCULE-9012490000 [1,1,0,0,0,0|1,0,0]=3 1008 B6R0.3 C=CC(N)C(=O)O MCULE-9978294266 [1,1,0,0,0,0|1,0,0]=3 1009 B6R0.3 C=CC(O)C(=O)O MCULE-3847595710 [1,1,0,0,0,0|1,0,0]=3 1010 B6R0.3 C=C[C@@H](C)C(=O)O MCULE-9719548038 [1,1,0,0,0,0|1,0,0]=3 1011 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-3678761806 [1,1,0,0,0,0|1,0,0]=3 1012 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-6682447306 [1,1,0,0,0,0|1,0,0]=3 1013 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-6779191781 [1,1,0,0,0,0|1,0,0]=3 1014 B6R0.3 C=C[C@H](C)C(=O)O MCULE-1694697840 [1,1,0,0,0,0|1,0,0]=3 1015 B6R0.3 C=C[C@H](C)C(=O)O MCULE-2601438258 [1,1,0,0,0,0|1,0,0]=3 1016 B6R0.3 C=C[C@H](C)C(=O)O MCULE-6098133430 [1,1,0,0,0,0|1,0,0]=3 1017 B6R0.3 C=C[C@H](N)C(=O)O MCULE-2657488498 [1,1,0,0,0,0|1,0,0]=3 1018 B6R0.3 C=C[C@H](N)C(=O)O MCULE-5103456570 [1,1,0,0,0,0|1,0,0]=3 1019 B6R0.3 C=C[C@H](N)C(=O)O MCULE-5936124947 [1,1,0,0,0,0|1,0,0]=3 1020 B6R0.3 C=C[C@H](N)C(=O)O MCULE-9631686254 [1,1,0,0,0,0|1,0,0]=3 1021 B6R0.3 CC(=CBr)C(=O)O MCULE-3682516046 [1,1,0,0,0,0|1,0,1]=4 1022 B6R0.3 CC(=NO)C(=O)O MCULE-8264934008 [1,1,0,0,0,0|1,0,1]=4 1023 B6R0.3 CC(=O)C(Br)C=O MCULE-6904531970 [1,1,0,0,0,0|1,0,0]=3 1024 B6R0.3 CC(=O)C(C)C=O MCULE-7133682970 [1,1,0,0,0,0|1,0,0]=3 1025 B6R0.3 CC(=O)C(C)CO MCULE-9026658672 [1,1,0,0,0,0|1,0,1]=4 1026 B6R0.3 CC(=O)C(N)CO MCULE-4063057020 [1,1,0,0,0,0|1,0,1]=4 1027 B6R0.3 CC(=O)[C@@H](N)CO MCULE-9046372356 [1,1,0,0,0,0|1,0,1]=4 1028 B6R0.3 CC(C#N)C(=O)O MCULE-3302580561 [1,1,0,0,0,0|1,0,1]=4 1029 B6R0.3 CC(CBr)C(=O)O MCULE-1430003780 [1,1,0,0,0,0|1,0,1]=4 1030 B6R0.3 CC(CF)C(=O)O MCULE-7390028409 [1,1,0,0,0,0|1,0,1]=4 1031 B6R0.3 CC(CN)C(=O)O MCULE-5485986433 [1,1,0,0,0,0|1,0,1]=4 1032 B6R0.3 CC(CN)C(=O)O MCULE-5638884438 [1,1,0,0,0,0|1,0,1]=4 1033 B6R0.3 CC(CO)C(=O)O MCULE-2772009804 [1,1,0,0,0,0|0,0,1]=3 1034 B6R0.3 CC(CO)C(=O)[O-] MCULE-6956620176 [1,1,0,0,0,0|0,0,2]=4 1035 B6R0.3 CC(CS)C(=O)O MCULE-9982386135 [1,1,0,0,0,0|0,1,1]=4 1036 B6R0.3 CC(ON)C(=O)O MCULE-1969235976 [1,1,0,0,0,0|2,0,0]=4 1037 B6R0.3 CC(ON)C(=O)O MCULE-4318537884 [1,1,0,0,0,0|2,0,0]=4 1038 B6R0.3 CC(ON)C(=O)O MCULE-4455753863 [1,1,0,0,0,0|2,0,0]=4 1039 B6R0.3 CC(ON)C(=O)O MCULE-8893009712 [1,1,0,0,0,0|2,0,0]=4 1040 B6R0.3 CC=C(Br)C(=O)O MCULE-5368794596 [1,1,0,0,0,0|1,0,1]=4 1041 B6R0.3 CC=C(C)C(=O)O MCULE-2390677360 [1,1,0,0,0,0|1,0,1]=4 1042 B6R0.3 CC=C(Cl)C(=O)O MCULE-5827690088 [1,1,0,0,0,0|1,0,1]=4 1043 B6R0.3 CC=C(F)C(=O)O MCULE-5053310707 [1,1,0,0,0,0|1,0,1]=4 1044 B6R0.3 CC=C(O)C(=O)O MCULE-7886990963 [1,1,0,0,0,0|1,0,1]=4 1045 B6R0.3 CCC(Br)C(=O)O MCULE-4214463814 [1,1,0,0,0,0|1,0,1]=4 1046 B6R0.3 CCC(C)C(=O)O MCULE-5615925204 [1,1,0,0,0,0|1,0,1]=4 1047 B6R0.3 CCC(C)C(=O)O MCULE-7434436828 [1,1,0,0,0,0|1,0,1]=4 1048 B6R0.3 CCC(Cl)C(=O)O MCULE-6325944516 [1,1,0,0,0,0|1,0,1]=4 1049 B6R0.3 CCC(F)C(=O)O MCULE-3947852767 [1,1,0,0,0,0|1,0,1]=4 1050 B6R0.3 CCC(N)C(=O)O MCULE-2132009026 [1,1,0,0,0,0|1,0,1]=4 1051 B6R0.3 CCC(N)C(=O)O MCULE-7397078475 [1,1,0,0,0,0|1,0,1]=4 1052 B6R0.3 CCC(N)C(=O)O MCULE-8052711911 [1,1,0,0,0,0|1,0,1]=4 1053 B6R0.3 CCC(N)C(=O)O MCULE-9815187967 [1,1,0,0,0,0|1,0,1]=4 1054 B6R0.3 CCC(O)C(=O)O MCULE-1958918710 [1,1,0,0,0,0|1,0,1]=4 1055 B6R0.3 CCC(O)C(=O)O MCULE-2006594131 [1,1,0,0,0,0|1,0,1]=4 1056 B6R0.3 CCC(S)C(=O)O MCULE-9887370695 [1,1,0,0,0,0|1,0,1]=4 1057 B6R0.3 CC[C@@H](Br)C(=O)O MCULE-3890418201 [1,1,0,0,0,0|1,0,1]=4 1058 B6R0.3 CC[C@@H](Br)C(=O)O MCULE-5910145154 [1,1,0,0,0,0|1,0,1]=4 1059 B6R0.3 CC[C@@H](C)C(=O)O MCULE-4225604875 [1,1,0,0,0,0|1,0,1]=4 1060 B6R0.3 CC[C@@H](C)C(=O)O MCULE-6581991788 [1,1,0,0,0,0|1,0,1]=4 1061 B6R0.3 CC[C@@H](Cl)C(=O)O MCULE-2496023102 [1,1,0,0,0,0|1,0,1]=4 1062 B6R0.3 CC[C@@H](Cl)C(=O)O MCULE-9719915588 [1,1,0,0,0,0|1,0,1]=4 1063 B6R0.3 CC[C@@H](N)C(=O)O MCULE-3824768448 [1,1,0,0,0,0|1,0,1]=4 1064 B6R0.3 CC[C@@H](N)C(=O)O MCULE-7078248621 [1,1,0,0,0,0|1,0,1]=4 1065 B6R0.3 CC[C@@H](N)C(=O)O MCULE-8856363896 [1,1,0,0,0,0|1,0,1]=4 1066 B6R0.3 CC[C@@H](N)C(=O)O MCULE-9662763952 [1,1,0,0,0,0|1,0,1]=4 1067 B6R0.3 CC[C@@H](O)C(=O)O MCULE-8118182602 [1,1,0,0,0,0|1,0,1]=4 1068 B6R0.3 CC[C@@H](O)C(=O)O MCULE-9744322272 [1,1,0,0,0,0|1,0,1]=4 1069 B6R0.3 CC[C@H](Br)C(=O)O MCULE-2859668715 [1,1,0,0,0,0|1,0,1]=4 1070 B6R0.3 CC[C@H](Br)C(=O)O MCULE-9989821197 [1,1,0,0,0,0|1,0,1]=4 1071 B6R0.3 CC[C@H](C)C(=O)O MCULE-5170193492 [1,1,0,0,0,0|1,0,1]=4 1072 B6R0.3 CC[C@H](C)C(=O)O MCULE-6595467867 [1,1,0,0,0,0|1,0,1]=4 1073 B6R0.3 CC[C@H](Cl)C(=O)O MCULE-8870390851 [1,1,0,0,0,0|1,0,1]=4 1074 B6R0.3 CC[C@H](N)C(=O)O MCULE-3597025691 [1,1,0,0,0,0|1,0,1]=4 1075 B6R0.3 CC[C@H](N)C(=O)O MCULE-5445914617 [1,1,0,0,0,0|1,0,1]=4 1076 B6R0.3 CC[C@H](N)C(=O)O MCULE-7781302707 [1,1,0,0,0,0|1,0,1]=4 1077 B6R0.3 CC[C@H](N)C(=O)O MCULE-8446392822 [1,1,0,0,0,0|1,0,1]=4 1078 B6R0.3 CC[C@H](O)C(=O)O MCULE-4284991317 [1,1,0,0,0,0|1,0,1]=4 1079 B6R0.3 CC[C@H](O)C(=O)O MCULE-6782147427 [1,1,0,0,0,0|1,0,1]=4 1080 B6R0.3 CNC(C)C(=O)O MCULE-4088114502 [1,1,0,0,0,0|2,0,0]=4 1081 B6R0.3 CNC(C)C(=O)O MCULE-7300169560 [1,1,0,0,0,0|2,0,0]=4 1082 B6R0.3 CNC(C)C(=O)O MCULE-8623956615 [1,1,0,0,0,0|2,0,0]=4 1083 B6R0.3 CN[C@@H](C)C(=O)O MCULE-2079366664 [1,1,0,0,0,0|2,0,0]=4 1084 B6R0.3 CN[C@@H](C)C(=O)O MCULE-4072364377 [1,1,0,0,0,0|2,0,0]=4 1085 B6R0.3 CN[C@@H](C)C(=O)O MCULE-4518259073 [1,1,0,0,0,0|2,0,0]=4 1086 B6R0.3 CN[C@@H](C)C(=O)O MCULE-8200069325 [1,1,0,0,0,0|2,0,0]=4 1087 B6R0.3 CN[C@H](C)C(=O)O MCULE-2777429698 [1,1,0,0,0,0|2,0,0]=4 1088 B6R0.3 CN[C@H](C)C(=O)O MCULE-7282734154 [1,1,0,0,0,0|2,0,0]=4 1089 B6R0.3 CN[C@H](C)C(=O)O MCULE-9709122579 [1,1,0,0,0,0|2,0,0]=4 1090 B6R0.3 COC(Br)C(=O)O MCULE-9018983840 [1,1,0,0,0,0|2,0,0]=4 1091 B6R0.3 COC(C)C(=O)O MCULE-8913745653 [1,1,0,0,0,0|2,0,0]=4 1092 B6R0.3 CO[C@@H](C)C(=O)O MCULE-7456458246 [1,1,0,0,0,0|2,0,0]=4 1093 B6R0.3 CO[C@@H](C)C(=O)O MCULE-8108977564 [1,1,0,0,0,0|2,0,0]=4 1094 B6R0.3 CO[C@H](C)C(=O)O MCULE-3078851913 [1,1,0,0,0,0|2,0,0]=4 1095 B6R0.3 CO[C@H](C)C(=O)O MCULE-5370950850 [1,1,0,0,0,0|2,0,0]=4 1096 B6R0.3 CSC(C)C(=O)O MCULE-8062487948 [1,1,0,0,0,0|2,0,0]=4 1097 B6R0.3 C[C@@H](CN)C(=O)O MCULE-4438181090 [1,1,0,0,0,0|1,0,1]=4 1098 B6R0.3 C[C@@H](CN)C(=O)O MCULE-4599481344 [1,1,0,0,0,0|1,0,1]=4 1099 B6R0.3 C[C@@H](CN)C(=O)O MCULE-5826933618 [1,1,0,0,0,0|1,0,1]=4 1100 B6R0.3 C[C@@H](CN)C(=O)O MCULE-5914856504 [1,1,0,0,0,0|1,0,1]=4 1101 B6R0.3 C[C@@H](CO)C(=O)O MCULE-1381224499 [1,1,0,0,0,0|0,0,1]=3 1102 B6R0.3 C[C@@H](CO)C(=O)O MCULE-4599417419 [1,1,0,0,0,0|0,0,1]=3 1103 B6R0.3 C[C@@H](ON)C(=O)O MCULE-1538722507 [1,1,0,0,0,0|2,0,0]=4 1104 B6R0.3 C[C@@H](ON)C(=O)O MCULE-3835402446 [1,1,0,0,0,0|2,0,0]=4 1105 B6R0.3 C[C@H](CN)C(=O)O MCULE-3703540023 [1,1,0,0,0,0|1,0,1]=4 1106 B6R0.3 C[C@H](CN)C(=O)O MCULE-5714771083 [1,1,0,0,0,0|1,0,1]=4 1107 B6R0.3 C[C@H](CN)C(=O)O MCULE-9009901306 [1,1,0,0,0,0|1,0,1]=4 1108 B6R0.3 C[C@H](CN)C(=O)O MCULE-9217365463 [1,1,0,0,0,0|1,0,1]=4 1109 B6R0.3 C[C@H](CO)C(=O)O MCULE-7012562122 [1,1,0,0,0,0|0,0,1]=3 1110 B6R0.3 C[C@H](CO)C(=O)O MCULE-9702865885 [1,1,0,0,0,0|0,0,1]=3 1111 B6R0.3 C[C@H](CO)C(=O)[O-] MCULE-5733737039 [1,1,0,0,0,0|0,0,2]=4 1112 B6R0.3 C[C@H](ON)C(=O)O MCULE-3327889540 [1,1,0,0,0,0|2,0,0]=4 1113 B6R0.3 C[C@H](ON)C(=O)O MCULE-4523264650 [1,1,0,0,0,0|2,0,0]=4 1114 B6R0.3 NC(=O)C(N)CO MCULE-4842751232 [1,1,0,0,0,0|1,0,1]=4 1115 B6R0.3 NC(=O)C(N)CO MCULE-6854366147 [1,1,0,0,0,0|1,0,1]=4 1116 B6R0.3 NC(=O)[C@@H](N)CO MCULE-2185844038 [1,1,0,0,0,0|1,0,1]=4 1117 B6R0.3 NC(=O)[C@@H](N)CO MCULE-3623516041 [1,1,0,0,0,0|1,0,1]=4 1118 B6R0.3 NC(=O)[C@@H](N)CO MCULE-6218638108 [1,1,0,0,0,0|1,0,1]=4 1119 B6R0.3 NC(=O)[C@H](N)CO MCULE-2061645482 [1,1,0,0,0,0|1,0,1]=4 1120 B6R0.3 NC(=O)[C@H](N)CO MCULE-5920366137 [1,1,0,0,0,0|1,0,1]=4 1121 B6R0.3 NC(=O)[C@H](N)CO MCULE-7612340519 [1,1,0,0,0,0|1,0,1]=4 1122 B6R0.3 NC(=O)[C@H](N)CO MCULE-7734326153 [1,1,0,0,0,0|1,0,1]=4 1123 B6R0.3 NC(CCl)C(=O)O MCULE-1601405489 [1,1,0,0,0,0|1,0,1]=4 1124 B6R0.3 NC(CCl)C(=O)O MCULE-3020306643 [1,1,0,0,0,0|1,0,1]=4 1125 B6R0.3 NC(CCl)C(=O)O MCULE-5440349631 [1,1,0,0,0,0|1,0,1]=4 1126 B6R0.3 NC(CF)C(=O)O MCULE-3274339636 [1,1,0,0,0,0|1,0,1]=4 1127 B6R0.3 NC(CO)C(=O)O MCULE-2425237422 [1,1,0,0,0,0|0,0,1]=3 1128 B6R0.3 NC(CO)C(=O)O MCULE-6460387318 [1,1,0,0,0,0|0,0,1]=3 1129 B6R0.3 NC(CS)C(=O)O MCULE-1666411258 [1,1,0,0,0,0|0,1,1]=4 1130 B6R0.3 NC(CS)C(=O)O MCULE-2938329352 [1,1,0,0,0,0|0,1,1]=4 1131 B6R0.3 NC(CS)C(=O)O MCULE-7203902929 [1,1,0,0,0,0|0,1,1]=4 1132 B6R0.3 NC(CS)C(=O)O MCULE-7790846545 [1,1,0,0,0,0|0,1,1]=4 1133 B6R0.3 NCC(Br)C(=O)O MCULE-2289205408 [1,1,0,0,0,0|1,0,1]=4 1134 B6R0.3 NCC(Br)C(=O)O MCULE-9361399143 [1,1,0,0,0,0|1,0,1]=4 1135 B6R0.3 NCC(F)C(=O)O MCULE-5666887061 [1,1,0,0,0,0|1,0,1]=4 1136 B6R0.3 NCC(F)C(=O)O MCULE-6134707533 [1,1,0,0,0,0|1,0,1]=4 1137 B6R0.3 NCC(N)C(=O)O MCULE-1867799207 [1,1,0,0,0,0|1,0,1]=4 1138 B6R0.3 NCC(N)C(=O)O MCULE-4853376364 [1,1,0,0,0,0|1,0,1]=4 1139 B6R0.3 NCC(N)C(=O)O MCULE-7636331821 [1,1,0,0,0,0|1,0,1]=4 1140 B6R0.3 NCC(N)C(=O)O MCULE-7735444546 [1,1,0,0,0,0|1,0,1]=4 1141 B6R0.3 NCC(N)C(=O)O MCULE-9197553017 [1,1,0,0,0,0|1,0,1]=4 1142 B6R0.3 NCC(O)C(=O)O MCULE-2137675488 [1,1,0,0,0,0|1,0,1]=4 1143 B6R0.3 NCC(O)C(=O)O MCULE-3348306437 [1,1,0,0,0,0|1,0,1]=4 1144 B6R0.3 NC[C@@H](F)C(=O)O MCULE-3544959183 [1,1,0,0,0,0|1,0,1]=4 1145 B6R0.3 NC[C@@H](F)C(=O)O MCULE-4122418685 [1,1,0,0,0,0|1,0,1]=4 1146 B6R0.3 NC[C@@H](F)C(=O)O MCULE-8592364466 [1,1,0,0,0,0|1,0,1]=4 1147 B6R0.3 NC[C@@H](F)C(=O)O MCULE-9106826144 [1,1,0,0,0,0|1,0,1]=4 1148 B6R0.3 NC[C@@H](N)C(=O)O MCULE-5363126654 [1,1,0,0,0,0|1,0,1]=4 1149 B6R0.3 NC[C@@H](N)C(=O)O MCULE-8998345978 [1,1,0,0,0,0|1,0,1]=4 1150 B6R0.3 NC[C@@H](N)C(=O)O MCULE-9125384126 [1,1,0,0,0,0|1,0,1]=4 1151 B6R0.3 NC[C@@H](O)C(=O)O MCULE-5922773276 [1,1,0,0,0,0|1,0,1]=4 1152 B6R0.3 NC[C@@H](O)C(=O)O MCULE-8921832932 [1,1,0,0,0,0|1,0,1]=4 1153 B6R0.3 NC[C@H](F)C(=O)O MCULE-2695037152 [1,1,0,0,0,0|1,0,1]=4 1154 B6R0.3 NC[C@H](F)C(=O)O MCULE-4323150722 [1,1,0,0,0,0|1,0,1]=4 1155 B6R0.3 NC[C@H](F)C(=O)O MCULE-6701791437 [1,1,0,0,0,0|1,0,1]=4 1156 B6R0.3 NC[C@H](F)C(=O)O MCULE-7674783008 [1,1,0,0,0,0|1,0,1]=4 1157 B6R0.3 NC[C@H](N)C(=O)O MCULE-1389567062 [1,1,0,0,0,0|1,0,1]=4 1158 B6R0.3 NC[C@H](N)C(=O)O MCULE-1833064192 [1,1,0,0,0,0|1,0,1]=4 1159 B6R0.3 NC[C@H](N)C(=O)O MCULE-2347369254 [1,1,0,0,0,0|1,0,1]=4 1160 B6R0.3 NC[C@H](N)C(=O)O MCULE-2781423323 [1,1,0,0,0,0|1,0,1]=4 1161 B6R0.3 NC[C@H](N)C(=O)O MCULE-6498458695 [1,1,0,0,0,0|1,0,1]=4 1162 B6R0.3 NC[C@H](N)C(=O)O MCULE-8313668715 [1,1,0,0,0,0|1,0,1]=4 1163 B6R0.3 NC[C@H](O)C(=O)O MCULE-5854124012 [1,1,0,0,0,0|1,0,1]=4 1164 B6R0.3 NC[C@H](O)C(=O)O MCULE-7536593166 [1,1,0,0,0,0|1,0,1]=4 1165 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-2896868744 [1,1,0,0,0,0|1,0,1]=4 1166 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-5799339909 [1,1,0,0,0,0|1,0,1]=4 1167 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-7445121230 [1,1,0,0,0,0|1,0,1]=4 1168 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-9137000163 [1,1,0,0,0,0|1,0,1]=4 1169 B6R0.3 N[C@@H](CO)C(=O)O MCULE-4580794842 [1,1,0,0,0,0|0,0,1]=3 1170 B6R0.3 N[C@@H](CO)C(=O)O MCULE-5604658333 [1,1,0,0,0,0|0,0,1]=3 1171 B6R0.3 N[C@@H](CO)C(=O)O MCULE-5884286841 [1,1,0,0,0,0|0,0,1]=3 1172 B6R0.3 N[C@@H](CO)C(=O)O MCULE-6118038121 [1,1,0,0,0,0|0,0,1]=3 1173 B6R0.3 N[C@@H](CS)C(=O)O MCULE-1896679526 [1,1,0,0,0,0|0,1,1]=4 1174 B6R0.3 N[C@@H](CS)C(=O)O MCULE-2206038012 [1,1,0,0,0,0|0,1,1]=4 1175 B6R0.3 N[C@@H](CS)C(=O)O MCULE-6337217524 [1,1,0,0,0,0|0,1,1]=4 1176 B6R0.3 N[C@@H](CS)C(=O)O MCULE-9685479191 [1,1,0,0,0,0|0,1,1]=4 1177 B6R0.3 N[C@H](CCl)C(=O)O MCULE-2647266636 [1,1,0,0,0,0|1,0,1]=4 1178 B6R0.3 N[C@H](CCl)C(=O)O MCULE-7797369596 [1,1,0,0,0,0|1,0,1]=4 1179 B6R0.3 N[C@H](CCl)C(=O)O MCULE-8133148482 [1,1,0,0,0,0|1,0,1]=4 1180 B6R0.3 N[C@H](CCl)C(=O)O MCULE-9324545858 [1,1,0,0,0,0|1,0,1]=4 1181 B6R0.3 N[C@H](CF)C(=O)O MCULE-4766495272 [1,1,0,0,0,0|1,0,1]=4 1182 B6R0.3 N[C@H](CF)C(=O)O MCULE-7679315401 [1,1,0,0,0,0|1,0,1]=4 1183 B6R0.3 N[C@H](CO)C(=O)O MCULE-3271603208 [1,1,0,0,0,0|0,0,1]=3 1184 B6R0.3 N[C@H](CO)C(=O)O MCULE-8560981570 [1,1,0,0,0,0|0,0,1]=3 1185 B6R0.3 N[C@H](CS)C(=O)O MCULE-2137827959 [1,1,0,0,0,0|0,1,1]=4 1186 B6R0.3 N[C@H](CS)C(=O)O MCULE-4521387126 [1,1,0,0,0,0|0,1,1]=4 1187 B6R0.3 N[C@H](CS)C(=O)O MCULE-7201506202 [1,1,0,0,0,0|0,1,1]=4 1188 B6R0.3 N[C@H](CS)C(=O)O MCULE-9147562606 [1,1,0,0,0,0|0,1,1]=4 1189 B6R0.3 O=C(O)/C(=C/Cl)/Cl MCULE-4317518344 [1,1,0,0,0,0|1,0,1]=4 1190 B6R0.3 O=C(O)C(=CCl)Cl MCULE-2693859334 [1,1,0,0,0,0|1,0,1]=4 1191 B6R0.3 O=C(O)C(=O)CO MCULE-2263002631 [1,1,0,0,0,0|0,0,2]=4 1192 B6R0.3 O=C(O)C(Br)CBr MCULE-9991448725 [1,1,0,0,0,0|1,0,1]=4 1193 B6R0.3 O=C(O)C(Br)CF MCULE-6577995297 [1,1,0,0,0,0|1,0,1]=4 1194 B6R0.3 O=C(O)C(Br)CO MCULE-9060407295 [1,1,0,0,0,0|0,0,1]=3 1195 B6R0.3 O=C(O)C(Cl)CCl MCULE-4757238565 [1,1,0,0,0,0|1,0,1]=4 1196 B6R0.3 O=C(O)C(Cl)CO MCULE-3671026398 [1,1,0,0,0,0|0,0,1]=3 1197 B6R0.3 O=C(O)C(F)CF MCULE-4323199927 [1,1,0,0,0,0|1,0,1]=4 1198 B6R0.3 O=C(O)C(O)CBr MCULE-2600199692 [1,1,0,0,0,0|1,0,1]=4 1199 B6R0.3 O=C(O)C(O)CCl MCULE-6346810624 [1,1,0,0,0,0|1,0,1]=4 1200 B6R0.3 O=C(O)C(O)CO MCULE-3634533503 [1,1,0,0,0,0|0,0,1]=3 1201 B6R0.3 O=C(O)[C@@H](Br)CO MCULE-4486884639 [1,1,0,0,0,0|0,0,1]=3 1202 B6R0.3 O=C(O)[C@@H](Br)CO MCULE-8586594526 [1,1,0,0,0,0|0,0,1]=3 1203 B6R0.3 O=C(O)[C@@H](O)CCl MCULE-4927034524 [1,1,0,0,0,0|1,0,1]=4 1204 B6R0.3 O=C(O)[C@@H](O)CO MCULE-4917119993 [1,1,0,0,0,0|0,0,1]=3 1205 B6R0.3 O=C(O)[C@@H](O)CO MCULE-7996851129 [1,1,0,0,0,0|0,0,1]=3 1206 B6R0.3 O=C(O)[C@H](Br)CO MCULE-3770944978 [1,1,0,0,0,0|0,0,1]=3 1207 B6R0.3 O=C(O)[C@H](Br)CO MCULE-6926119866 [1,1,0,0,0,0|0,0,1]=3 1208 B6R0.3 O=C(O)[C@H](O)CF MCULE-4453713074 [1,1,0,0,0,0|1,0,1]=4 1209 B6R0.3 O=C([O-])[C@@H](O)CO MCULE-4498291090 [1,1,0,0,0,0|0,0,2]=4 1210 B6R0.3 [C@@H](N)(C=C)C(=O)O MCULE-9406839633 [1,1,0,0,0,0|1,0,0]=3 1211 B6R0.3 [C@@H](N)(CN)C(=O)O MCULE-2844054083 [1,1,0,0,0,0|1,0,1]=4 1212 B6R0.3 [C@H](C)(NC)C(=O)O MCULE-3677465746 [1,1,0,0,0,0|2,0,0]=4 1213 B6R0.3 [C@H](N)(CO)C(=O)N MCULE-2792784400 [1,1,0,0,0,0|1,0,1]=4 1214 B6R0.3 [C@H](S)(CC)C(=O)O MCULE-4267293279 [1,1,0,0,0,0|1,0,1]=4 1215 B6R0.3 [SeH]C[C@H](N)C(=O)O MCULE-8205075370 [1,1,0,0,0,0|0,1,1]=4 1216 B6R0.4 C#CCCC(=O)O MCULE-6669146060 [1,1,0,0,0,0|1,0,1]=4 1217 B6R0.4 C/C=C/CC(=O)Cl MCULE-5377125313 [1,1,0,0,0,0|2,0,0]=4 1218 B6R0.4 C/C=C/CC(=O)N MCULE-1942934157 [1,1,0,0,0,0|2,0,0]=4 1219 B6R0.4 C/C=C/CC(=O)O MCULE-4626577048 [1,1,0,0,0,0|1,0,0]=3 1220 B6R0.4 C=C/C=C/C(=O)O MCULE-7975593411 [1,1,0,0,0,0|1,0,1]=4 1221 B6R0.4 C=C=CCC(=O)O MCULE-2611659307 [1,1,0,0,0,0|1,0,0]=3 1222 B6R0.4 C=CC=CC(=O)O MCULE-5189540617 [1,1,0,0,0,0|1,0,1]=4 1223 B6R0.4 C=CCCC(=O)C MCULE-9598399930 [1,1,0,0,0,0|2,0,0]=4 1224 B6R0.4 C=CCCC(=O)Cl MCULE-7378353157 [1,1,0,0,0,0|2,0,0]=4 1225 B6R0.4 C=CCCC(=O)N MCULE-7202462484 [1,1,0,0,0,0|2,0,0]=4 1226 B6R0.4 C=CCCC(=O)O MCULE-6221951425 [1,1,0,0,0,0|1,0,0]=3 1227 B6R0.4 C=CCNC(=O)C MCULE-7903624915 [1,1,0,0,0,0|2,0,0]=4 1228 B6R0.4 C=CCNC(=O)N MCULE-1210131291 [1,1,0,0,0,0|2,0,0]=4 1229 B6R0.4 C=CCOC(=O)C MCULE-9991130828 [1,1,0,0,0,0|2,0,0]=4 1230 B6R0.4 C=CCOC(=O)Cl MCULE-3513251417 [1,1,0,0,0,0|2,0,0]=4 1231 B6R0.4 C=CCOC(=O)N MCULE-4119124558 [1,1,0,0,0,0|2,0,0]=4 1232 B6R0.4 C=CNCC(=O)O MCULE-5142273921 [1,1,0,0,0,0|1,0,0]=3 1233 B6R0.4 CC#CCC(=O)O MCULE-8576178825 [1,1,0,0,0,0|1,0,1]=4 1234 B6R0.4 CC(=O)CCC=O MCULE-4767690464 [1,1,0,0,0,0|1,0,0]=3 1235 B6R0.4 CC(=O)CCCO MCULE-1335342150 [1,1,0,0,0,0|1,0,1]=4 1236 B6R0.4 CC(=O)NCCO MCULE-5968518415 [1,1,0,0,0,0|1,0,1]=4 1237 B6R0.4 CC(=O)OCCO MCULE-1251660436 [1,1,0,0,0,0|1,0,1]=4 1238 B6R0.4 CC/C=C/C(=O)O MCULE-4888215476 [1,1,0,0,0,0|1,0,1]=4 1239 B6R0.4 CC=CCC(=O)O MCULE-9174714653 [1,1,0,0,0,0|1,0,0]=3 1240 B6R0.4 CCC=CC(=O)O MCULE-3920494238 [1,1,0,0,0,0|1,0,1]=4 1241 B6R0.4 CCCCC(=O)O MCULE-2333640078 [1,1,0,0,0,0|1,0,1]=4 1242 B6R0.4 CCNCC(=O)O MCULE-5989480216 [1,1,0,0,0,0|1,0,1]=4 1243 B6R0.4 CCNCC(=O)O MCULE-8087863397 [1,1,0,0,0,0|1,0,1]=4 1244 B6R0.4 CCOCC(=O)O MCULE-1726530898 [1,1,0,0,0,0|1,0,1]=4 1245 B6R0.4 CCSCC(=O)O MCULE-7471335718 [1,1,0,0,0,0|1,0,1]=4 1246 B6R0.4 CNCCC(=O)O MCULE-3627988097 [1,1,0,0,0,0|1,0,1]=4 1247 B6R0.4 CNCCC(=O)O MCULE-9858204248 [1,1,0,0,0,0|1,0,1]=4 1248 B6R0.4 CO/C=C/C(=O)C MCULE-1215649803 [1,1,0,0,0,0|1,0,1]=4 1249 B6R0.4 CO/C=C/C(=O)O MCULE-3681049176 [1,1,0,0,0,0|0,0,1]=3 1250 B6R0.4 COC=CC(=O)C MCULE-4868833764 [1,1,0,0,0,0|1,0,1]=4 1251 B6R0.4 COC=CC(=O)Cl MCULE-4966577139 [1,1,0,0,0,0|1,0,1]=4 1252 B6R0.4 COC=CC(=O)O MCULE-4252899122 [1,1,0,0,0,0|0,0,1]=3 1253 B6R0.4 COCCC(=O)C MCULE-5939812376 [1,1,0,0,0,0|1,0,1]=4 1254 B6R0.4 COCCC(=O)Cl MCULE-9454266286 [1,1,0,0,0,0|1,0,1]=4 1255 B6R0.4 COCCC(=O)N MCULE-7556483675 [1,1,0,0,0,0|1,0,1]=4 1256 B6R0.4 COCCC(=O)O MCULE-3436347115 [1,1,0,0,0,0|0,0,1]=3 1257 B6R0.4 CON=CC(=O)O MCULE-6800819509 [1,1,0,0,0,0|1,0,1]=4 1258 B6R0.4 CSCCC(=O)O MCULE-9550032941 [1,1,0,0,0,0|0,1,1]=4 1259 B6R0.4 CSSCC(=O)O MCULE-5829510166 [1,1,0,0,0,0|1,1,0]=4 1260 B6R0.4 N#CC=CC(=O)O MCULE-9790502930 [1,1,0,0,0,0|1,0,1]=4 1261 B6R0.4 N#CCCC(=O)O MCULE-3165189228 [1,1,0,0,0,0|1,0,1]=4 1262 B6R0.4 N#C[Se]CC(=O)O MCULE-1382907788 [1,1,0,0,0,0|1,0,1]=4 1263 B6R0.4 N#N=NCC(=O)O MCULE-3031425162 [1,1,0,0,0,0|2,0,0]=4 1264 B6R0.4 NC(=O)CCCO MCULE-3779341561 [1,1,0,0,0,0|1,0,1]=4 1265 B6R0.4 NC(=O)NCCO MCULE-2353513655 [1,1,0,0,0,0|1,0,1]=4 1266 B6R0.4 NC(=O)OCCO MCULE-7565460845 [1,1,0,0,0,0|1,0,1]=4 1267 B6R0.4 NC/C=C/C(=O)O MCULE-1249244912 [1,1,0,0,0,0|1,0,1]=4 1268 B6R0.4 NCC=CC(=O)O MCULE-3049811576 [1,1,0,0,0,0|1,0,1]=4 1269 B6R0.4 NCC=CC(=O)O MCULE-5171717036 [1,1,0,0,0,0|1,0,1]=4 1270 B6R0.4 NCCCC(=O)O MCULE-3615304273 [1,1,0,0,0,0|1,0,1]=4 1271 B6R0.4 NCCCC(=O)O MCULE-7613134021 [1,1,0,0,0,0|1,0,1]=4 1272 B6R0.4 NOCCC(=O)O MCULE-1529492904 [1,1,0,0,0,0|0,0,1]=3 1273 B6R0.4 NOCCC(=O)O MCULE-6297331357 [1,1,0,0,0,0|0,0,1]=3 1274 B6R0.4 O=C(O)/C=C/CBr MCULE-2012997584 [1,1,0,0,0,0|1,0,1]=4 1275 B6R0.4 O=C(O)/C=C/CCl MCULE-5651159998 [1,1,0,0,0,0|1,0,1]=4 1276 B6R0.4 O=C(O)/C=C/CO MCULE-1612823053 [1,1,0,0,0,0|0,0,1]=3 1277 B6R0.4 O=C(O)C#CCO MCULE-1849362182 [1,1,0,0,0,0|0,0,2]=4 1278 B6R0.4 O=C(O)C=CCBr MCULE-3029375430 [1,1,0,0,0,0|1,0,1]=4 1279 B6R0.4 O=C(O)C=CCCl MCULE-1050913038 [1,1,0,0,0,0|1,0,1]=4 1280 B6R0.4 O=C(O)C=CCO MCULE-3375515425 [1,1,0,0,0,0|0,0,1]=3 1281 B6R0.4 O=C(O)CCCBr MCULE-5669825022 [1,1,0,0,0,0|1,0,1]=4 1282 B6R0.4 O=C(O)CCCCl MCULE-7721427391 [1,1,0,0,0,0|1,0,1]=4 1283 B6R0.4 O=C(O)CCCF MCULE-2415675768 [1,1,0,0,0,0|1,0,1]=4 1284 B6R0.4 O=C(O)CCCI MCULE-7794841553 [1,1,0,0,0,0|1,0,1]=4 1285 B6R0.4 O=C(O)CCCS MCULE-3352840152 [1,1,0,0,0,0|0,1,1]=4 1286 B6R0.4 O=C(O)CNCO MCULE-4092998319 [1,1,0,0,0,0|0,0,1]=3 1287 B6R0.4 O=C([O-])CNCO MCULE-2804068565 [1,1,0,0,0,0|0,0,2]=4 1288 B6R0.4 O=CCCC(=O)O MCULE-7183864722 [1,1,0,0,0,0|0,0,0]=2 1289 B6R0.4 O=CCCN(=O)=O MCULE-3692892497 [1,1,0,0,0,0|1,0,1]=4 1290 B6R0.4 O=CNCC(=O)O MCULE-3251128290 [1,1,0,0,0,0|0,0,0]=2 1291 B6R0.5 C=CCS(=O)(=O)O MCULE-2373600268 [1,1,0,0,0,0|2,0,0]=4 1292 B6R0.5 O=CCS(=O)(=O)O MCULE-1262210475 [1,1,0,0,0,0|1,0,0]=3 1293 B6R0.5 O=CCS(=O)(=O)[O-] MCULE-2577471949 [1,1,0,0,0,0|1,0,1]=4 1294 B6R0.5 O=P(O)(O)CCO MCULE-9752100956 [1,1,0,0,0,0|1,0,1]=4 1295 B6R0.5 O=S(=O)(O)CCO MCULE-8075949368 [1,1,0,0,0,0|1,0,1]=4 1296 B6R0.7 CC(C)(O)C(=O)O MCULE-4093617756 [0,1,0,0,1,0|1,0,1]=4 1297 B6R0.7 O=C(O)P(=O)(O)O MCULE-6294437098 [0,1,0,0,1,0|1,0,0]=3 1298 B8R0.9 C(=CC(=O)NC)C(=O)O MCULE-6946307549 [0,1,0,0,0,1|1,0,1]=4 1299 B8R0.9 C=CC(=CCC(=O)O)C MCULE-5960312667 [0,1,0,0,0,1|2,0,0]=4 1300 B8R0.9 C=CC(=O)COC(=O)C MCULE-1008872923 [0,1,0,0,0,1|2,0,0]=4 1301 B8R0.9 C=CC(=O)NCC(=O)N MCULE-4638561901 [0,1,0,0,0,1|2,0,0]=4 1302 B8R0.9 C=CC(=O)NCC(=O)O MCULE-6459513586 [0,1,0,0,0,1|1,0,0]=3 1303 B8R0.9 CC(=NO)CCC(=O)O MCULE-2481442220 [0,1,0,0,0,1|1,0,0]=3 1304 B8R0.9 CC(=O)NC/C(=N\O)/N MCULE-6544551877 [0,1,0,0,0,1|2,0,0]=4 1305 B8R0.9 CC(=O)NCC(=O)NN MCULE-1688027287 [0,1,0,0,0,1|2,0,0]=4 1306 B8R0.9 CC(=O)OCC(=O)CCl MCULE-5422965047 [0,1,0,0,0,1|2,0,0]=4 1307 B8R0.9 CCC(=CCC(=O)O)C MCULE-3358969895 [0,1,0,0,0,1|2,0,0]=4 1308 B8R0.9 CCC(=O)C=CC(=O)O MCULE-2770953486 [0,1,0,0,0,1|1,0,1]=4 1309 B8R0.9 CCC(=O)CCC(=O)C MCULE-7923444653 [0,1,0,0,0,1|2,0,0]=4 1310 B8R0.9 CCC(=O)CCC(=O)O MCULE-4505750030 [0,1,0,0,0,1|1,0,0]=3 1311 B8R0.9 CCC(=O)COC(=O)C MCULE-4876335377 [0,1,0,0,0,1|2,0,0]=4 1312 B8R0.9 CCC(=O)NCC(=O)O MCULE-9173889437 [0,1,0,0,0,1|1,0,0]=3 1313 B8R0.9 CCC(O)CCC(=O)O MCULE-1512608136 [0,1,0,0,0,1|1,0,1]=4 1314 B8R0.9 CCS(=O)CCC(=O)O MCULE-4027618720 [0,1,0,0,0,1|2,0,0]=4 1315 B8R0.9 CNC(=O)/C=C\C(=O)O MCULE-9272095560 [0,1,0,0,0,1|1,0,1]=4 1316 B8R0.9 CNC(=O)CCC(=O)O MCULE-8340443315 [0,1,0,0,0,1|1,0,0]=3 1317 B8R0.9 CNC(=O)CNC(=O)C MCULE-3508245247 [0,1,0,0,0,1|2,0,0]=4 1318 B8R0.9 CNC(=O)NCC(=O)O MCULE-9575946804 [0,1,0,0,0,1|1,0,0]=3 1319 B8R0.9 COC(=O)/C=C/C(=O)C MCULE-7597345789 [0,1,0,0,0,1|1,0,1]=4 1320 B8R0.9 COC(=O)/C=C/C(=O)N MCULE-9155646828 [0,1,0,0,0,1|1,0,1]=4 1321 B8R0.9 COC(=O)/C=C/C(=O)O MCULE-6611318809 [0,1,0,0,0,1|0,0,1]=3 1322 B8R0.9 COC(=O)/C=C\C(=O)O MCULE-6268249504 [0,1,0,0,0,1|0,0,1]=3 1323 B8R0.9 COC(=O)C=CC(=O)C MCULE-5746687781 [0,1,0,0,0,1|1,0,1]=4 1324 B8R0.9 COC(=O)C=CC(=O)Cl MCULE-8442342779 [0,1,0,0,0,1|1,0,1]=4 1325 B8R0.9 COC(=O)C=CC(=O)O MCULE-3111892186 [0,1,0,0,0,1|0,0,1]=3 1326 B8R0.9 COC(=O)CCC(=O)C MCULE-6324755148 [0,1,0,0,0,1|1,0,0]=3 1327 B8R0.9 COC(=O)CCC(=O)Cl MCULE-2684320402 [0,1,0,0,0,1|1,0,0]=3 1328 B8R0.9 COC(=O)CCC(=O)N MCULE-1154081515 [0,1,0,0,0,1|1,0,0]=3 1329 B8R0.9 COC(=O)CCC(=O)O MCULE-4083173324 [0,1,0,0,0,1|0,0,0]=2 1330 B8R0.9 COC(=O)CCC(=S)N MCULE-4037707510 [0,1,0,0,0,1|1,1,0]=4 1331 B8R0.9 COC(=O)CCN(=O)=O MCULE-3836108700 [0,1,0,0,0,1|1,0,1]=4 1332 B8R0.9 COC(=O)CCS(=O)O MCULE-4935012562 [0,1,0,0,0,1|1,0,0]=3 1333 B8R0.9 COC(=O)CCS(=O)[O-] MCULE-5802411922 [0,1,0,0,0,1|1,0,1]=4 1334 B8R0.9 COC(=O)CNC(=O)C MCULE-3795072377 [0,1,0,0,0,1|1,0,0]=3 1335 B8R0.9 COC(=O)CSC(=N)N MCULE-5721573915 [0,1,0,0,0,1|2,0,0]=4 1336 B8R0.9 COC(=O)CSC(=N)N MCULE-8534299006 [0,1,0,0,0,1|2,0,0]=4 1337 B8R0.9 COC(=O)NCC(=O)C MCULE-1043877696 [0,1,0,0,0,1|1,0,0]=3 1338 B8R0.9 COC(=O)NCC(=O)O MCULE-3693365728 [0,1,0,0,0,1|0,0,0]=2 1339 B8R0.9 COC(=O)NCC(C)O MCULE-3862167665 [0,1,0,0,0,1|1,0,1]=4 1340 B8R0.9 COC(C)CCC(=O)O MCULE-5873043454 [0,1,0,0,0,1|1,0,1]=4 1341 B8R0.9 NCC(=O)CCC(=O)O MCULE-6371115085 [0,1,0,0,0,1|1,0,0]=3 1342 B8R0.9 NCC(=O)CCC(=O)O MCULE-8125179397 [0,1,0,0,0,1|1,0,0]=3 1343 B8R0.9 NCC(=O)CCC(=O)O MCULE-8676354165 [0,1,0,0,0,1|1,0,0]=3 1344 B8R0.9 NCC(=O)NCC(=O)N MCULE-8386571025 [0,1,0,0,0,1|2,0,0]=4 1345 B8R0.9 NCC(=O)NCC(=O)O MCULE-1239116894 [0,1,0,0,0,1|1,0,0]=3 1346 B8R0.9 NCC(=O)NCC(=O)O MCULE-2139302839 [0,1,0,0,0,1|1,0,0]=3 1347 B8R0.9 NNC(=O)CCC(=O)N MCULE-9710004878 [0,1,0,0,0,1|2,0,0]=4 1348 B8R0.9 NNC(=O)CCC(=O)O MCULE-7643180740 [0,1,0,0,0,1|1,0,0]=3 1349 B8R0.9 NNC(=O)CCC(=O)O MCULE-9888193887 [0,1,0,0,0,1|1,0,0]=3 1350 B8R0.9 NNC(=O)NCC(=O)O MCULE-6013763993 [0,1,0,0,0,1|1,0,0]=3 1351 B8R0.9 NNC(=O)NCC(=O)O MCULE-8104731063 [0,1,0,0,0,1|1,0,0]=3 1352 B8R0.9 N[C@H](CO)CCC(=O)O MCULE-1233079264 [0,1,0,0,0,1|1,0,1]=4 1353 B8R0.9 N[C@H](CO)CCC(=O)O MCULE-8091475267 [0,1,0,0,0,1|1,0,1]=4 1354 B8R0.9 O=C(O)CCC(=O)CBr MCULE-8373387398 [0,1,0,0,0,1|1,0,0]=3 1355 B8R0.9 O=C(O)CCC(=O)NO MCULE-2226202964 [0,1,0,0,0,1|0,0,0]=2 1356 B8R0.9 O=C(O)CCP(=O)CO MCULE-3163541128 [0,1,0,0,0,1|1,0,0]=3 1357 B8R0.9 O=C(O)CNC(=O)CCl MCULE-2917654196 [0,1,0,0,0,1|1,0,0]=3 1358 B8R0.9 O=C(O)COC(=O)CO MCULE-4022202206 [0,1,0,0,0,1|0,0,0]=2 1359 B8R0.23 C(=C(Br)C(=O)O)C(=O)O MCULE-1343964958 [0,1,0,0,0,1|0,0,1]=3 1360 B8R0.23 C(N)(CS(=O)C)C(=O)O MCULE-3320985154 [0,1,0,0,0,1|2,0,0]=4 1361 B8R0.23 C/C(=C/C(=O)O)/C(=O)O MCULE-9648210920 [0,1,0,0,0,1|0,0,1]=3 1362 B8R0.23 C/C(=C\C(=O)O)/C(=O)O MCULE-1060050416 [0,1,0,0,0,1|0,0,1]=3 1363 B8R0.23 C=C(Br)CC(N)C(=O)O MCULE-2311003313 [0,1,0,0,0,1|2,0,0]=4 1364 B8R0.23 C=C(Br)C[C@@H](N)C(=O)O MCULE-2061865879 [0,1,0,0,0,1|2,0,0]=4 1365 B8R0.23 C=C(Br)C[C@@H](N)C(=O)O MCULE-6617690939 [0,1,0,0,0,1|2,0,0]=4 1366 B8R0.23 C=C(Br)C[C@H](N)C(=O)O MCULE-2602336550 [0,1,0,0,0,1|2,0,0]=4 1367 B8R0.23 C=C(Br)C[C@H](N)C(=O)O MCULE-9274484893 [0,1,0,0,0,1|2,0,0]=4 1368 B8R0.23 C=C(C)C(N)CC(=O)O MCULE-5527747045 [0,1,0,0,0,1|2,0,0]=4 1369 B8R0.23 C=C(C)CC(C)C(=O)O MCULE-7268483710 [0,1,0,0,0,1|2,0,0]=4 1370 B8R0.23 C=C(C)CC(N)C(=O)O MCULE-5915882776 [0,1,0,0,0,1|2,0,0]=4 1371 B8R0.23 C=C(C)C[C@@H](N)C(=O)O MCULE-2841714882 [0,1,0,0,0,1|2,0,0]=4 1372 B8R0.23 C=C(C)C[C@H](C)C(=O)O MCULE-9053114079 [0,1,0,0,0,1|2,0,0]=4 1373 B8R0.23 C=C(C)C[C@H](N)C(=O)O MCULE-1029058491 [0,1,0,0,0,1|2,0,0]=4 1374 B8R0.23 C=C(C)C[C@H](N)C(=O)O MCULE-6974720260 [0,1,0,0,0,1|2,0,0]=4 1375 B8R0.23 C=C(C)[C@@H](O)CC(=O)O MCULE-9399932923 [0,1,0,0,0,1|2,0,0]=4 1376 B8R0.23 C=C(CC(=O)Cl)C(=O)Cl MCULE-5964382878 [0,1,0,0,0,1|2,0,0]=4 1377 B8R0.23 C=C(CC(=O)O)C(=O)O MCULE-5221256796 [0,1,0,0,0,1|0,0,0]=2 1378 B8R0.23 C=C(Cl)CC(N)C(=O)O MCULE-3498417929 [0,1,0,0,0,1|2,0,0]=4 1379 B8R0.23 C=C(Cl)CC(N)C(=O)O MCULE-7451890779 [0,1,0,0,0,1|2,0,0]=4 1380 B8R0.23 C=C(NC(=O)C)C(=O)O MCULE-6963284423 [0,1,0,0,0,1|1,0,1]=4 1381 B8R0.23 CC(=CC(=O)O)C(=O)O MCULE-9291663033 [0,1,0,0,0,1|0,0,1]=3 1382 B8R0.23 CC(=NC(=O)N)C(=O)O MCULE-5921330982 [0,1,0,0,0,1|1,0,1]=4 1383 B8R0.23 CC(=O)C(C)CC(=O)O MCULE-9095166615 [0,1,0,0,0,1|1,0,0]=3 1384 B8R0.23 CC(=O)C(N)CC(=O)O MCULE-7043175556 [0,1,0,0,0,1|1,0,0]=3 1385 B8R0.23 CC(=O)CC(C)C(=O)O MCULE-4640477792 [0,1,0,0,0,1|1,0,0]=3 1386 B8R0.23 CC(=O)CC(N)C(=O)O MCULE-6275652695 [0,1,0,0,0,1|1,0,0]=3 1387 B8R0.23 CC(=O)CC(N)C(=O)O MCULE-6690241894 [0,1,0,0,0,1|1,0,0]=3 1388 B8R0.23 CC(=O)CC(O)C(=O)C MCULE-3447949844 [0,1,0,0,0,1|2,0,0]=4 1389 B8R0.23 CC(=O)CC(O)C(=O)O MCULE-4728629069 [0,1,0,0,0,1|1,0,0]=3 1390 B8R0.23 CC(=O)N(C)CC(=O)O MCULE-1037482941 [0,1,0,0,0,1|1,0,0]=3 1391 B8R0.23 CC(=O)NC(C)C(=O)C MCULE-4672583112 [0,1,0,0,0,1|2,0,0]=4 1392 B8R0.23 CC(=O)NC(C)C(=O)O MCULE-1209958700 [0,1,0,0,0,1|1,0,0]=3 1393 B8R0.23 CC(=O)NC(C)C(=O)O MCULE-6844686208 [0,1,0,0,0,1|1,0,0]=3 1394 B8R0.23 CC(=O)N[C@@H](C)C(=O)Cl MCULE-1899336261 [0,1,0,0,0,1|2,0,0]=4 1395 B8R0.23 CC(=O)N[C@@H](C)C(=O)Cl MCULE-2242849037 [0,1,0,0,0,1|2,0,0]=4 1396 B8R0.23 CC(=O)N[C@@H](C)C(=O)N MCULE-9322824133 [0,1,0,0,0,1|2,0,0]=4 1397 B8R0.23 CC(=O)N[C@@H](C)C(=O)N MCULE-9348799148 [0,1,0,0,0,1|2,0,0]=4 1398 B8R0.23 CC(=O)N[C@@H](C)C(=O)O MCULE-7453059048 [0,1,0,0,0,1|1,0,0]=3 1399 B8R0.23 CC(=O)N[C@@H](C)C(=O)O MCULE-9637570463 [0,1,0,0,0,1|1,0,0]=3 1400 B8R0.23 CC(=O)N[C@H](C)C(=O)O MCULE-1908712348 [0,1,0,0,0,1|1,0,0]=3 1401 B8R0.23 CC(=O)N[C@H](C)C(=O)O MCULE-3023888296 [0,1,0,0,0,1|1,0,0]=3 1402 B8R0.23 CC(=O)OC(C)C(=O)C MCULE-7403314261 [0,1,0,0,0,1|2,0,0]=4 1403 B8R0.23 CC(=O)OC(C)C(=O)Cl MCULE-9987734584 [0,1,0,0,0,1|2,0,0]=4 1404 B8R0.23 CC(=O)OC(C)C(=O)O MCULE-6745958064 [0,1,0,0,0,1|1,0,0]=3 1405 B8R0.23 CC(=O)OC(C)C(=O)O MCULE-8940501529 [0,1,0,0,0,1|1,0,0]=3 1406 B8R0.23 CC(=O)O[C@@H](C)C(=O)Cl MCULE-6842776649 [0,1,0,0,0,1|2,0,0]=4 1407 B8R0.23 CC(=O)O[C@@H](C)C(=O)Cl MCULE-9564324053 [0,1,0,0,0,1|2,0,0]=4 1408 B8R0.23 CC(=O)O[C@@H](C)C(=O)O MCULE-7850132202 [0,1,0,0,0,1|1,0,0]=3 1409 B8R0.23 CC(=O)O[C@@H](C)C(=O)O MCULE-9087871033 [0,1,0,0,0,1|1,0,0]=3 1410 B8R0.23 CC(=O)O[C@H](C)C(=O)Cl MCULE-4690787544 [0,1,0,0,0,1|2,0,0]=4 1411 B8R0.23 CC(=O)O[C@H](C)C(=O)Cl MCULE-6415823129 [0,1,0,0,0,1|2,0,0]=4 1412 B8R0.23 CC(=O)O[C@H](C)C(=O)O MCULE-3788243723 [0,1,0,0,0,1|1,0,0]=3 1413 B8R0.23 CC(=O)O[C@H](C)C(=O)O MCULE-8696299139 [0,1,0,0,0,1|1,0,0]=3 1414 B8R0.23 CC(CC(=O)Cl)C(=O)Cl MCULE-1409735811 [0,1,0,0,0,1|2,0,0]=4 1415 B8R0.23 CC(CC(=O)N)C(=O)O MCULE-8238400356 [0,1,0,0,0,1|1,0,0]=3 1416 B8R0.23 CC(CC(=O)O)C(=O)O MCULE-4824634360 [0,1,0,0,0,1|0,0,0]=2 1417 B8R0.23 CC(CC(=O)O)C(=O)O MCULE-8116748590 [0,1,0,0,0,1|0,0,0]=2 1418 B8R0.23 CC(CS(=O)C)C(=O)O MCULE-4855592077 [0,1,0,0,0,1|2,0,0]=4 1419 B8R0.23 CC(NC(=N)N)C(=O)O MCULE-1509115617 [0,1,0,0,0,1|2,0,0]=4 1420 B8R0.23 CC(NC(=O)N)C(=O)O MCULE-9370944250 [0,1,0,0,0,1|1,0,0]=3 1421 B8R0.23 CC(O)C(N)CC(=O)O MCULE-5161755443 [0,1,0,0,0,1|1,0,1]=4 1422 B8R0.23 CC(O)C(N)CC(=O)O MCULE-6370326858 [0,1,0,0,0,1|1,0,1]=4 1423 B8R0.23 CN(CC(=O)O)C(=N)N MCULE-3625061513 [0,1,0,0,0,1|2,0,0]=4 1424 B8R0.23 CN(CC(=O)O)C(=N)N MCULE-4950835709 [0,1,0,0,0,1|2,0,0]=4 1425 B8R0.23 CN(CC(=O)O)C(=N)N MCULE-5131797215 [0,1,0,0,0,1|2,0,0]=4 1426 B8R0.23 CN(CC(=O)O)C(=O)N MCULE-6739535875 [0,1,0,0,0,1|1,0,0]=3 1427 B8R0.23 CN(CC(=O)O)C(=S)S MCULE-1910105668 [0,1,0,0,0,1|0,2,0]=4 1428 B8R0.23 CS(=O)CC(N)C(=O)O MCULE-5699602621 [0,1,0,0,0,1|2,0,0]=4 1429 B8R0.23 CS(=O)C[C@@H](N)C(=O)O MCULE-8253087333 [0,1,0,0,0,1|2,0,0]=4 1430 B8R0.23 CS(=O)C[C@H](N)C(=O)O MCULE-5080098254 [0,1,0,0,0,1|2,0,0]=4 1431 B8R0.23 C[C@@H](CC(=O)O)C(=O)O MCULE-1711994689 [0,1,0,0,0,1|0,0,0]=2 1432 B8R0.23 C[C@@H](CC(=O)O)C(=O)O MCULE-6107805812 [0,1,0,0,0,1|0,0,0]=2 1433 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-1416044737 [0,1,0,0,0,1|1,0,1]=4 1434 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-2990511228 [0,1,0,0,0,1|1,0,1]=4 1435 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-3178455647 [0,1,0,0,0,1|1,0,1]=4 1436 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-4413833682 [0,1,0,0,0,1|1,0,1]=4 1437 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-7332826518 [0,1,0,0,0,1|1,0,1]=4 1438 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-7552978009 [0,1,0,0,0,1|1,0,1]=4 1439 B8R0.23 C[C@H](CC(=O)O)C(=O)O MCULE-2738295504 [0,1,0,0,0,1|0,0,0]=2 1440 B8R0.23 C[C@H](CC(=O)O)C(=O)O MCULE-4544789339 [0,1,0,0,0,1|0,0,0]=2 1441 B8R0.23 C[C@H](NC(=O)N)C(=O)O MCULE-7947685696 [0,1,0,0,0,1|1,0,0]=3 1442 B8R0.23 C[C@H](O)[C@@H](N)CC(=O)O MCULE-8673070329 [0,1,0,0,0,1|1,0,1]=4 1443 B8R0.23 C[S@](=O)C[C@@H](N)C(=O)O MCULE-4004385080 [0,1,0,0,0,1|2,0,0]=4 1444 B8R0.23 NC(=O)C(N)CC(=O)O MCULE-2277575843 [0,1,0,0,0,1|1,0,0]=3 1445 B8R0.23 NC(=O)CC(Br)C(=O)O MCULE-2823539046 [0,1,0,0,0,1|1,0,0]=3 1446 B8R0.23 NC(=O)CC(N)C(=O)O MCULE-1395307434 [0,1,0,0,0,1|1,0,0]=3 1447 B8R0.23 NC(=O)C[C@@H](N)C(=O)N MCULE-7126009795 [0,1,0,0,0,1|2,0,0]=4 1448 B8R0.23 NC(=O)C[C@@H](N)C(=O)O MCULE-5685974579 [0,1,0,0,0,1|1,0,0]=3 1449 B8R0.23 NC(=O)C[C@@H](N)C(=O)O MCULE-6923060287 [0,1,0,0,0,1|1,0,0]=3 1450 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-3049784970 [0,1,0,0,0,1|2,0,0]=4 1451 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-6209092318 [0,1,0,0,0,1|2,0,0]=4 1452 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-7482170747 [0,1,0,0,0,1|2,0,0]=4 1453 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-8939291995 [0,1,0,0,0,1|2,0,0]=4 1454 B8R0.23 NC(=O)C[C@H](N)C(=O)O MCULE-1868046141 [0,1,0,0,0,1|1,0,0]=3 1455 B8R0.23 NC(=O)C[C@H](N)C(=O)O MCULE-8248953574 [0,1,0,0,0,1|1,0,0]=3 1456 B8R0.23 NC(=O)N(N)CC(=O)O MCULE-2553509411 [0,1,0,0,0,1|1,0,0]=3 1457 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-1924512659 [0,1,0,0,0,1|1,0,0]=3 1458 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-5836180326 [0,1,0,0,0,1|1,0,0]=3 1459 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-8799617587 [0,1,0,0,0,1|1,0,0]=3 1460 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-9477928215 [0,1,0,0,0,1|1,0,0]=3 1461 B8R0.23 NC(=O)[C@H](N)CC(=O)O MCULE-5316198498 [0,1,0,0,0,1|1,0,0]=3 1462 B8R0.23 NC(=O)[C@H](N)CC(=O)O MCULE-9833023193 [0,1,0,0,0,1|1,0,0]=3 1463 B8R0.23 NC(CC(=O)O)C(=O)O MCULE-1247865301 [0,1,0,0,0,1|0,0,0]=2 1464 B8R0.23 NC(CC(=O)O)C(=O)O MCULE-9328817309 [0,1,0,0,0,1|0,0,0]=2 1465 B8R0.23 NC(CC(=O)O)C(=O)[O-] MCULE-5149469296 [0,1,0,0,0,1|0,0,1]=3 1466 B8R0.23 NC(CC(=O)O)C(=O)[O-] MCULE-6655576025 [0,1,0,0,0,1|0,0,1]=3 1467 B8R0.23 NC(CC(=O)[O-])C(=O)O MCULE-9221777365 [0,1,0,0,0,1|0,0,1]=3 1468 B8R0.23 NC(CC(=O)[O-])C(=O)[O-] MCULE-5331717218 [0,1,0,0,0,1|0,0,2]=4 1469 B8R0.23 NC(CC(=O)[O-])C(=O)[O-] MCULE-5921707862 [0,1,0,0,0,1|0,0,2]=4 1470 B8R0.23 N[C@@H](CC(=O)O)C(=O)O MCULE-3710241722 [0,1,0,0,0,1|0,0,0]=2 1471 B8R0.23 N[C@@H](CC(=O)O)C(=O)O MCULE-6700641640 [0,1,0,0,0,1|0,0,0]=2 1472 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] MCULE-6196524297 [0,1,0,0,0,1|0,0,1]=3 1473 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)O MCULE-5793000569 [0,1,0,0,0,1|0,0,1]=3 1474 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-4019077430 [0,1,0,0,0,1|0,0,2]=4 1475 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-5586538224 [0,1,0,0,0,1|0,0,2]=4 1476 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-7845714288 [0,1,0,0,0,1|0,0,2]=4 1477 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-8320700728 [0,1,0,0,0,1|0,0,2]=4 1478 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-8905060145 [0,1,0,0,0,1|0,0,2]=4 1479 B8R0.23 N[C@@H](CS(=O)O)C(=O)O MCULE-6647925908 [0,1,0,0,0,1|1,0,0]=3 1480 B8R0.23 N[C@@H](CS(=O)O)C(=O)O MCULE-7596867929 [0,1,0,0,0,1|1,0,0]=3 1481 B8R0.23 N[C@H](CC(=O)O)C(=O)O MCULE-8102700760 [0,1,0,0,0,1|0,0,0]=2 1482 B8R0.23 O=C(O)/C=C(\F)/C(=O)O MCULE-5646698704 [0,1,0,0,0,1|0,0,1]=3 1483 B8R0.23 O=C(O)C=C(F)C(=O)O MCULE-9862154394 [0,1,0,0,0,1|0,0,1]=3 1484 B8R0.23 O=C(O)C=C(I)C(=O)O MCULE-3104454041 [0,1,0,0,0,1|0,0,1]=3 1485 B8R0.23 O=C(O)CC(=C(Cl)Cl)Cl MCULE-1048319494 [0,1,0,0,0,1|2,0,0]=4 1486 B8R0.23 O=C(O)CC(=O)C(=O)O MCULE-6059222019 [0,1,0,0,0,1|0,0,0]=2 1487 B8R0.23 O=C(O)CC(Br)C(=O)O MCULE-8178780603 [0,1,0,0,0,1|0,0,0]=2 1488 B8R0.23 O=C(O)CC(Cl)C(=O)O MCULE-6357456691 [0,1,0,0,0,1|0,0,0]=2 1489 B8R0.23 O=C(O)CC(F)C(=O)O MCULE-8433198001 [0,1,0,0,0,1|0,0,0]=2 1490 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-5852208511 [0,1,0,0,0,1|0,0,0]=2 1491 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-9713558868 [0,1,0,0,0,1|0,0,0]=2 1492 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-9924961830 [0,1,0,0,0,1|0,0,0]=2 1493 B8R0.23 O=C(O)CC(S)C(=O)O MCULE-7005300961 [0,1,0,0,0,1|0,0,0]=2 1494 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O MCULE-4598056907 [0,1,0,0,0,1|0,0,0]=2 1495 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O MCULE-7861798045 [0,1,0,0,0,1|0,0,0]=2 1496 B8R0.23 O=C(O)C[C@@H](O)C(=O)O MCULE-2239273084 [0,1,0,0,0,1|0,0,0]=2 1497 B8R0.23 O=C(O)C[C@@H](O)C(=O)O MCULE-4984266891 [0,1,0,0,0,1|0,0,0]=2 1498 B8R0.23 O=C(O)C[C@H](Br)C(=O)O MCULE-6763472515 [0,1,0,0,0,1|0,0,0]=2 1499 B8R0.23 O=C(O)C[C@H](Br)C(=O)O MCULE-7524683930 [0,1,0,0,0,1|0,0,0]=2 1500 B8R0.23 O=C(O)C[C@H](F)C(=O)O MCULE-9607625100 [0,1,0,0,0,1|0,0,0]=2 1501 B8R0.23 O=C(O)C[C@H](O)C(=O)O MCULE-8339271078 [0,1,0,0,0,1|0,0,0]=2 1502 B8R0.23 O=C(O)C[C@H](O)C(=O)O MCULE-8865188741 [0,1,0,0,0,1|0,0,0]=2 1503 B8R0.23 O=C(O)C[C@H](O)C(=O)[O-] MCULE-1033530810 [0,1,0,0,0,1|0,0,1]=3 1504 B8R0.23 O=C(O)C[C@H](S)C(=O)O MCULE-6393371024 [0,1,0,0,0,1|0,0,0]=2 1505 B8R0.23 OC(=O)CN(C(=O)N)N MCULE-5081763144 [0,1,0,0,0,1|1,0,0]=3 1506 B8R0.23 [C@@H](N)(CC(=O)O)C(=O)O MCULE-7899824165 [0,1,0,0,0,1|0,0,0]=2 1507 B8R0.23 [C@H](N)(CS(=O)C)C(=O)O MCULE-5084638505 [0,1,0,0,0,1|2,0,0]=4 1508 B8R0.23 [NH3+]C(CS(=O)[O-])C(=O)O MCULE-5293441756 [0,1,0,0,0,1|1,0,1]=4 1509 B8R0.23 [NH3+][C@@H](CC(=O)[O-])C(=O)[O-] MCULE-1215535631 [0,1,0,0,0,1|0,0,2]=4 1510 B8R0.29 CC(=O)NCP(=O)(O)O MCULE-6441383987 [0,1,0,0,0,1|2,0,0]=4 1511 B8R0.29 CP(=O)(C)CCC(=O)O MCULE-4161237740 [0,1,0,0,0,1|2,0,0]=4 1512 B8R0.29 CP(=O)(O)CCC(=O)O MCULE-7722406670 [0,1,0,0,0,1|1,0,0]=3 1513 B8R0.29 CS(=O)(=NCC(=O)O)C MCULE-1962520069 [0,1,0,0,0,1|2,0,0]=4 1514 B8R0.29 CS(=O)(=O)CCC(=O)O MCULE-6100062469 [0,1,0,0,0,1|1,0,1]=4 1515 B8R0.29 CS(=O)(=O)NCC(=O)O MCULE-6239662408 [0,1,0,0,0,1|1,0,1]=4 1516 B8R0.29 CS(=O)(=O)OCC(=O)O MCULE-5511249618 [0,1,0,0,0,1|1,0,1]=4 1517 B8R0.29 NS(=O)(=O)CCC(=O)O MCULE-7062523969 [0,1,0,0,0,1|1,0,1]=4 1518 B8R0.29 O=C(O)CCP(=O)(O)O MCULE-5647723204 [0,1,0,0,0,1|1,0,0]=3 1519 B8R0.29 O=C(O)CCS(=O)(=O)O MCULE-8973025218 [0,1,0,0,0,1|1,0,0]=3 1520 B8R0.2 C=C(C)C(Cl)C(=O)OC MCULE-1665283862 [0,2,0,0,0,0|2,0,0]=4 1521 B8R0.2 C=C(N)C(N)C(=O)OC MCULE-5118385991 [0,2,0,0,0,0|2,0,0]=4 1522 B8R0.2 C=C(N)C(N)C(=O)OC MCULE-7419562140 [0,2,0,0,0,0|2,0,0]=4 1523 B8R0.2 C=C(N)C(N)C(=O)OC MCULE-8416732356 [0,2,0,0,0,0|2,0,0]=4 1524 B8R0.2 CCC(=O)C(C)C(=O)O MCULE-9192813670 [0,2,0,0,0,0|1,0,0]=3 1525 B8R0.2 CCC(O)C(C)C(=O)O MCULE-7278088016 [0,2,0,0,0,0|1,0,1]=4 1526 B8R0.2 CCC(O)C(N)C(=O)O MCULE-5277569808 [0,2,0,0,0,0|1,0,1]=4 1527 B8R0.2 CCC(O)[C@H](N)C(=O)O MCULE-7480930876 [0,2,0,0,0,0|1,0,1]=4 1528 B8R0.2 CC[C@@H](O)[C@H](N)C(=O)O MCULE-1048734191 [0,2,0,0,0,0|1,0,1]=4 1529 B8R0.2 CC[C@@H](O)[C@H](N)C(=O)O MCULE-1935827385 [0,2,0,0,0,0|1,0,1]=4 1530 B8R0.2 CC[C@@H](O)[C@H](N)C(=O)O MCULE-8753855708 [0,2,0,0,0,0|1,0,1]=4 1531 B8R0.2 CC[C@@H](O)[C@H](N)C(=O)O MCULE-9854510560 [0,2,0,0,0,0|1,0,1]=4 1532 B8R0.2 CC[C@H](O)[C@@H](N)C(=O)O MCULE-2118005753 [0,2,0,0,0,0|1,0,1]=4 1533 B8R0.2 CC[C@H](O)[C@@H](N)C(=O)O MCULE-2420221886 [0,2,0,0,0,0|1,0,1]=4 1534 B8R0.2 CC[C@H](O)[C@@H](N)C(=O)O MCULE-7168739287 [0,2,0,0,0,0|1,0,1]=4 1535 B8R0.2 CC[C@H](O)[C@@H](N)C(=O)O MCULE-7351381830 [0,2,0,0,0,0|1,0,1]=4 1536 B8R0.2 CNC(=O)C(Cl)C(=O)C MCULE-7816149596 [0,2,0,0,0,0|2,0,0]=4 1537 B8R0.2 COC(=O)C(Br)C(=O)C MCULE-4571030586 [0,2,0,0,0,0|1,0,0]=3 1538 B8R0.2 COC(=O)C(C)C(=O)C MCULE-7473005493 [0,2,0,0,0,0|1,0,0]=3 1539 B8R0.2 COC(=O)C(C)C(=O)N MCULE-7480268767 [0,2,0,0,0,0|1,0,0]=3 1540 B8R0.2 COC(=O)C(C)C(=O)O MCULE-6548116408 [0,2,0,0,0,0|0,0,0]=2 1541 B8R0.2 COC(=O)C(C)C(C)O MCULE-1377857651 [0,2,0,0,0,0|1,0,1]=4 1542 B8R0.2 COC(=O)C(C)N(=O)=O MCULE-1508014455 [0,2,0,0,0,0|1,0,1]=4 1543 B8R0.2 COC(=O)C(Cl)C(=O)C MCULE-8703201551 [0,2,0,0,0,0|1,0,0]=3 1544 B8R0.2 COC(=O)C(N)C(=O)C MCULE-6003738013 [0,2,0,0,0,0|1,0,0]=3 1545 B8R0.2 COC(=O)C(N)C(=O)C MCULE-6286319401 [0,2,0,0,0,0|1,0,0]=3 1546 B8R0.2 COC(=O)C(N)C(=O)O MCULE-2696171130 [0,2,0,0,0,0|0,0,0]=2 1547 B8R0.2 COC(=O)C(N)C(=O)O MCULE-7192453479 [0,2,0,0,0,0|0,0,0]=2 1548 B8R0.2 COC(=O)C(N)C(C)O MCULE-4054504482 [0,2,0,0,0,0|1,0,1]=4 1549 B8R0.2 COC(=O)C(N)C(C)O MCULE-5137175004 [0,2,0,0,0,0|1,0,1]=4 1550 B8R0.2 COC(=O)[C@@H](N)C(=O)O MCULE-3813999303 [0,2,0,0,0,0|0,0,0]=2 1551 B8R0.2 COC(=O)[C@@H](N)C(=O)O MCULE-7475117362 [0,2,0,0,0,0|0,0,0]=2 1552 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O MCULE-3396042563 [0,2,0,0,0,0|1,0,1]=4 1553 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O MCULE-3984373535 [0,2,0,0,0,0|1,0,1]=4 1554 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O MCULE-5105961994 [0,2,0,0,0,0|1,0,1]=4 1555 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O MCULE-6341068916 [0,2,0,0,0,0|1,0,1]=4 1556 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O MCULE-6365007520 [0,2,0,0,0,0|1,0,1]=4 1557 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O MCULE-9648470447 [0,2,0,0,0,0|1,0,1]=4 1558 B8R0.2 COC(=O)[C@@H](N)[C@H](C)O MCULE-1344493357 [0,2,0,0,0,0|1,0,1]=4 1559 B8R0.2 COC(=O)[C@@H](N)[C@H](C)O MCULE-2707639795 [0,2,0,0,0,0|1,0,1]=4 1560 B8R0.2 COC(=O)[C@@H](N)[C@H](C)O MCULE-5310976879 [0,2,0,0,0,0|1,0,1]=4 1561 B8R0.2 COC(=O)[C@@H](N)[C@H](C)O MCULE-5466279343 [0,2,0,0,0,0|1,0,1]=4 1562 B8R0.2 COC(=O)[C@@H](N)[C@H](C)O MCULE-7651050243 [0,2,0,0,0,0|1,0,1]=4 1563 B8R0.2 COC(=O)[C@@H](N)[C@H](C)O MCULE-9066216802 [0,2,0,0,0,0|1,0,1]=4 1564 B8R0.2 COC(=O)[C@H](N)[C@@H](C)O MCULE-5915481519 [0,2,0,0,0,0|1,0,1]=4 1565 B8R0.2 COC(=O)[C@H](N)[C@@H](C)O MCULE-6143392922 [0,2,0,0,0,0|1,0,1]=4 1566 B8R0.2 COC(=O)[C@H](N)[C@@H](C)O MCULE-8582390480 [0,2,0,0,0,0|1,0,1]=4 1567 B8R0.2 COC(=O)[C@H](N)[C@@H](C)O MCULE-8654293763 [0,2,0,0,0,0|1,0,1]=4 1568 B8R0.2 COC(=O)[C@H](N)[C@H](C)O MCULE-1159030229 [0,2,0,0,0,0|1,0,1]=4 1569 B8R0.2 COC(=O)[C@H](N)[C@H](C)O MCULE-3519054990 [0,2,0,0,0,0|1,0,1]=4 1570 B8R0.2 COC(=O)[C@H](N)[C@H](C)O MCULE-9015310634 [0,2,0,0,0,0|1,0,1]=4 1571 B8R0.2 COC(=O)[C@H](N)[C@H](C)O MCULE-9519182030 [0,2,0,0,0,0|1,0,1]=4 1572 B8R0.2 COC(C)C(Br)C(=O)O MCULE-2500266383 [0,2,0,0,0,0|1,0,1]=4 1573 B8R0.2 COC(C)C(O)C(=O)O MCULE-2673265957 [0,2,0,0,0,0|1,0,1]=4 1574 B8R0.2 CO[C@@H](C)[C@@H](N)C(=O)O MCULE-2479965444 [0,2,0,0,0,0|1,0,1]=4 1575 B8R0.2 CO[C@@H](C)[C@@H](N)C(=O)O MCULE-3288712191 [0,2,0,0,0,0|1,0,1]=4 1576 B8R0.2 CO[C@@H](C)[C@@H](N)C(=O)O MCULE-6827226453 [0,2,0,0,0,0|1,0,1]=4 1577 B8R0.2 CO[C@@H](C)[C@H](N)C(=O)O MCULE-6762158780 [0,2,0,0,0,0|1,0,1]=4 1578 B8R0.2 CO[C@@H](C)[C@H](N)C(=O)O MCULE-9087542117 [0,2,0,0,0,0|1,0,1]=4 1579 B8R0.2 CO[C@H](C)[C@@H](N)C(=O)O MCULE-6235935164 [0,2,0,0,0,0|1,0,1]=4 1580 B8R0.2 CO[C@H](C)[C@@H](N)C(=O)O MCULE-6758536252 [0,2,0,0,0,0|1,0,1]=4 1581 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O MCULE-7334607468 [0,2,0,0,0,0|1,0,1]=4 1582 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O MCULE-8564530384 [0,2,0,0,0,0|1,0,1]=4 1583 B8R0.2 O=C(O)C(O)C(O)CO MCULE-1397527919 [0,2,0,0,0,0|0,0,2]=4 1584 B8R0.2 O=C(O)[C@H](O)[C@H](O)CO MCULE-1531474304 [0,2,0,0,0,0|0,0,2]=4 1585 B8R0.2 O=C(O)[C@H](O)[C@H](O)CO MCULE-3829421433 [0,2,0,0,0,0|0,0,2]=4 1586 B8R0.2 O=C/C(=C(/Br)\C(=O)O)/Br MCULE-4235787323 [0,2,0,0,0,0|1,0,1]=4 1587 B8R0.2 O=C/C(=C(/Cl)\C(=O)O)/Cl MCULE-5383258560 [0,2,0,0,0,0|1,0,1]=4 1588 B8R0.2 O=C/C(=C(\Cl)/C(=O)O)/Cl MCULE-2800807401 [0,2,0,0,0,0|1,0,1]=4 1589 B8R0.2 O=CC(=C(Br)C(=O)O)Br MCULE-6159934056 [0,2,0,0,0,0|1,0,1]=4 1590 B8R0.2 O=CC(=C(Cl)C(=O)O)Cl MCULE-1478625845 [0,2,0,0,0,0|1,0,1]=4 1591 B8R0.5 C/C=C/C(O)CC(=O)O MCULE-3416519692 [0,2,0,0,0,0|1,0,1]=4 1592 B8R0.5 C=C(Br)CC(=O)OCC MCULE-2786450044 [0,2,0,0,0,0|2,0,0]=4 1593 B8R0.5 C=C(CCC)CC(=O)O MCULE-5240115049 [0,2,0,0,0,0|2,0,0]=4 1594 B8R0.5 CC=CC(O)CC(=O)O MCULE-9449456878 [0,2,0,0,0,0|1,0,1]=4 1595 B8R0.5 CCCC(=O)CC(=O)C MCULE-1126963023 [0,2,0,0,0,0|2,0,0]=4 1596 B8R0.5 CCCC(=O)CC(=O)O MCULE-8977313826 [0,2,0,0,0,0|1,0,0]=3 1597 B8R0.5 CCCC(O)CC(=O)O MCULE-3158579605 [0,2,0,0,0,0|1,0,1]=4 1598 B8R0.5 CCCS(=O)CC(=O)O MCULE-4278595326 [0,2,0,0,0,0|2,0,0]=4 1599 B8R0.5 CCNC(=O)CC(=O)O MCULE-6073095545 [0,2,0,0,0,0|1,0,0]=3 1600 B8R0.5 CCO/C(=C/C(=O)O)/N MCULE-7778274433 [0,2,0,0,0,0|1,0,1]=4 1601 B8R0.5 CCO/C(=C/C(=O)O)/N MCULE-8836710093 [0,2,0,0,0,0|1,0,1]=4 1602 B8R0.5 CCOC(=O)CC(=N)N MCULE-2205626178 [0,2,0,0,0,0|2,0,0]=4 1603 B8R0.5 CCOC(=O)CC(=N)N MCULE-7102889149 [0,2,0,0,0,0|2,0,0]=4 1604 B8R0.5 CCOC(=O)CC(=O)C MCULE-8615117086 [0,2,0,0,0,0|1,0,0]=3 1605 B8R0.5 CCOC(=O)CC(=O)Cl MCULE-2946486230 [0,2,0,0,0,0|1,0,0]=3 1606 B8R0.5 CCOC(=O)CC(=O)N MCULE-7799038725 [0,2,0,0,0,0|1,0,0]=3 1607 B8R0.5 CCOC(=O)CC(=O)O MCULE-9495505919 [0,2,0,0,0,0|0,0,0]=2 1608 B8R0.5 CCOC(=O)CC(=O)[O-] MCULE-6229774103 [0,2,0,0,0,0|0,0,1]=3 1609 B8R0.5 CCOC(=O)CC(=S)N MCULE-8264583697 [0,2,0,0,0,0|1,1,0]=4 1610 B8R0.5 CCOC(=O)CC(C)O MCULE-5738582973 [0,2,0,0,0,0|1,0,1]=4 1611 B8R0.5 CCOC(=O)CC(C)O MCULE-7412227285 [0,2,0,0,0,0|1,0,1]=4 1612 B8R0.5 CCOC(=O)CN(=O)=O MCULE-2325981285 [0,2,0,0,0,0|1,0,1]=4 1613 B8R0.5 CCOC(=O)C[C@@H](C)O MCULE-2482059514 [0,2,0,0,0,0|1,0,1]=4 1614 B8R0.5 CCOC(=O)C[C@@H](C)O MCULE-7632639859 [0,2,0,0,0,0|1,0,1]=4 1615 B8R0.5 CCOC(=O)C[C@H](C)O MCULE-7934535288 [0,2,0,0,0,0|1,0,1]=4 1616 B8R0.5 CCOC(=O)C[C@H](C)O MCULE-8099928659 [0,2,0,0,0,0|1,0,1]=4 1617 B8R0.5 CCOC(=O)NC(=O)C MCULE-8711109897 [0,2,0,0,0,0|2,0,0]=4 1618 B8R0.5 CCOC(=O)NC(=O)N MCULE-7086796426 [0,2,0,0,0,0|2,0,0]=4 1619 B8R0.5 CN(CCO)CC(=O)O MCULE-9266824629 [0,2,0,0,0,0|2,0,0]=4 1620 B8R0.5 CNCC(O)CC(=O)O MCULE-4502865855 [0,2,0,0,0,0|1,0,1]=4 1621 B8R0.5 CNCC(O)CC(=O)O MCULE-5628718703 [0,2,0,0,0,0|1,0,1]=4 1622 B8R0.5 COCC(=CC(=O)O)C MCULE-7202220126 [0,2,0,0,0,0|1,0,1]=4 1623 B8R0.5 COCC(=O)CC(=O)C MCULE-8600900987 [0,2,0,0,0,0|1,0,0]=3 1624 B8R0.5 COCC(C)CC(=O)O MCULE-7551495663 [0,2,0,0,0,0|1,0,1]=4 1625 B8R0.5 NCCC(O)CC(=O)O MCULE-3095949832 [0,2,0,0,0,0|1,0,1]=4 1626 B8R0.5 NCCC(O)CC(=O)O MCULE-8864780829 [0,2,0,0,0,0|1,0,1]=4 1627 B8R0.16 CCC(CC(=O)O)OC MCULE-7066116722 [0,2,0,0,0,0|1,0,1]=4 1628 B8R0.16 COC(CC(=O)O)OC MCULE-5378328171 [0,2,0,0,0,0|0,0,2]=4 1629 B8R0.16 COC(CN)CC(=O)O MCULE-5640667137 [0,2,0,0,0,0|1,0,1]=4 1630 B8R0.16 COC(CN)CC(=O)O MCULE-6451369002 [0,2,0,0,0,0|1,0,1]=4 1631 B8R0.16 NCC(CO)CC(=O)O MCULE-2939268634 [0,2,0,0,0,0|1,0,1]=4 1632 B8R0.19 C(O)(CC)CC(=O)OC MCULE-6615199457 [0,2,0,0,0,0|1,0,1]=4 1633 B8R0.19 C/C(=N\O)/C/C(=N/O)/C MCULE-5497085769 [0,2,0,0,0,0|2,0,0]=4 1634 B8R0.19 C=C(C#N)CC(=O)OC MCULE-6170444323 [0,2,0,0,0,0|2,0,0]=4 1635 B8R0.19 C=C(CCl)CC(=O)OC MCULE-3436182948 [0,2,0,0,0,0|2,0,0]=4 1636 B8R0.19 CC(=NO)CC(=NO)C MCULE-7139970309 [0,2,0,0,0,0|2,0,0]=4 1637 B8R0.19 CCC(=O)CC(=O)CC MCULE-9368471361 [0,2,0,0,0,0|2,0,0]=4 1638 B8R0.19 CCC(=O)CC(=O)OC MCULE-1605349915 [0,2,0,0,0,0|1,0,0]=3 1639 B8R0.19 CC[C@@H](O)CC(=O)OC MCULE-7264527834 [0,2,0,0,0,0|1,0,1]=4 1640 B8R0.19 CC[C@@H](O)CC(=O)OC MCULE-8077794874 [0,2,0,0,0,0|1,0,1]=4 1641 B8R0.19 CC[C@H](O)CC(=O)OC MCULE-3861554927 [0,2,0,0,0,0|1,0,1]=4 1642 B8R0.19 CC[C@H](O)CC(=O)OC MCULE-6307000918 [0,2,0,0,0,0|1,0,1]=4 1643 B8R0.19 CNC(=O)CC(=O)NC MCULE-9228601964 [0,2,0,0,0,0|2,0,0]=4 1644 B8R0.19 COC(=N)CC(=N)OC MCULE-4595570584 [0,2,0,0,0,0|2,0,0]=4 1645 B8R0.19 COC(=N)CC(=N)OC MCULE-4616387451 [0,2,0,0,0,0|2,0,0]=4 1646 B8R0.19 COC(=N)CC(=O)OC MCULE-2416316391 [0,2,0,0,0,0|1,0,0]=3 1647 B8R0.19 COC(=N)CC(=O)OC MCULE-9193442551 [0,2,0,0,0,0|1,0,0]=3 1648 B8R0.19 COC(=O)/C=C(\C)/OC MCULE-8813923973 [0,2,0,0,0,0|1,0,1]=4 1649 B8R0.19 COC(=O)C=C(C)C=O MCULE-8776671343 [0,2,0,0,0,0|1,0,1]=4 1650 B8R0.19 COC(=O)C=C(C)OC MCULE-1610055087 [0,2,0,0,0,0|1,0,1]=4 1651 B8R0.19 COC(=O)CC(=O)CCl MCULE-1683633113 [0,2,0,0,0,0|1,0,0]=3 1652 B8R0.19 COC(=O)CC(=O)OC MCULE-1727448163 [0,2,0,0,0,0|0,0,0]=2 1653 B8R0.19 COC(=O)CC(C)C=O MCULE-1183479071 [0,2,0,0,0,0|1,0,1]=4 1654 B8R0.19 COC(=O)CC(N)CO MCULE-4803123890 [0,2,0,0,0,0|1,0,1]=4 1655 B8R0.19 COC(=O)CC(N)CO MCULE-5372024399 [0,2,0,0,0,0|1,0,1]=4 1656 B8R0.19 COC(=O)CC(O)CCl MCULE-3924993874 [0,2,0,0,0,0|1,0,1]=4 1657 B8R0.19 COC(=O)CC(O)CN MCULE-6633164904 [0,2,0,0,0,0|1,0,1]=4 1658 B8R0.19 COC(=O)CC(O)CN MCULE-6973205945 [0,2,0,0,0,0|1,0,1]=4 1659 B8R0.19 COC(=O)CC(O)CO MCULE-1721395490 [0,2,0,0,0,0|0,0,2]=4 1660 B8R0.19 COC(=O)CC(O)CO MCULE-7578547932 [0,2,0,0,0,0|0,0,2]=4 1661 B8R0.19 COC(=O)CN(C)C=O MCULE-9266775990 [0,2,0,0,0,0|2,0,0]=4 1662 B8R0.19 COC(=O)C[C@@H](O)CCl MCULE-2437500598 [0,2,0,0,0,0|1,0,1]=4 1663 B8R0.19 COC(=O)C[C@@H](O)CCl MCULE-2535323310 [0,2,0,0,0,0|1,0,1]=4 1664 B8R0.19 COC(=O)C[C@H](O)CCl MCULE-2232290900 [0,2,0,0,0,0|1,0,1]=4 1665 B8R0.19 COC(=O)C[C@H](O)CCl MCULE-2298624118 [0,2,0,0,0,0|1,0,1]=4 1666 B8R0.19 COC(=O)C[C@H](O)CO MCULE-3243102477 [0,2,0,0,0,0|0,0,2]=4 1667 B8R0.19 COC(=O)C[C@H](O)CO MCULE-7538479392 [0,2,0,0,0,0|0,0,2]=4 1668 B8R0.19 COC(=O)NC(=O)CCl MCULE-6558463162 [0,2,0,0,0,0|2,0,0]=4 1669 B8R0.19 COC(=O)OC(=O)OC MCULE-4144943626 [0,2,0,0,0,0|1,0,0]=3 1670 B8R0.19 N=C(CC(=O)NO)NO MCULE-4324650628 [0,2,0,0,0,0|1,0,0]=3 1671 B8R0.19 NNC(=O)CC(=O)NN MCULE-3735369273 [0,2,0,0,0,0|2,0,0]=4 1672 B8R0.19 O=C(CC(=O)NO)N[O-] MCULE-2570796060 [0,2,0,0,0,0|0,0,1]=3 1673 B8R0.19 O=C(CC(=O)NO)N[O-] MCULE-7606204032 [0,2,0,0,0,0|0,0,1]=3 1674 B8R0.19 O=C(CCl)CC(=O)CCl MCULE-3196467645 [0,2,0,0,0,0|2,0,0]=4 1675 B8R0.19 O=C(CO)CC(O)CO MCULE-2853556664 [0,2,0,0,0,0|0,0,2]=4 1676 B8R0.24 COC(=O)CC(C)(C)O MCULE-7166479769 [0,2,0,0,0,0|1,0,1]=4 1677 B8R0.24 COC(=O)CP(=O)(O)O MCULE-7218551741 [0,2,0,0,0,0|1,0,0]=3 1678 B8R0.24 COC(=O)CS(=O)(=O)C MCULE-8613714610 [0,2,0,0,0,0|1,0,1]=4 1679 B8R0.24 COC(=O)CS(=O)(=O)Cl MCULE-1243995626 [0,2,0,0,0,0|1,0,1]=4 1680 B8R0.24 COC(=O)CS(=O)(=O)F MCULE-7680738509 [0,2,0,0,0,0|1,0,1]=4 1681 B8R0.24 COC(=O)CS(=O)(=O)N MCULE-3798914658 [0,2,0,0,0,0|1,0,1]=4 1682 B8R0.24 COC(=O)CS(=O)(=O)O MCULE-8404555176 [0,2,0,0,0,0|1,0,0]=3 1683 B8R0.24 COC(=O)CS(=O)(=O)[O-] MCULE-1512976061 [0,2,0,0,0,0|1,0,1]=4 1684 B8R0.24 O=C(CP(=O)(O)O)NO MCULE-2272923571 [0,2,0,0,0,0|1,0,0]=3 1685 B8R0.34 C=CC(C)(O)CC(=O)O MCULE-2178203310 [0,2,0,0,0,0|1,0,1]=4 1686 B8R0.34 CC(C)(CO)CC(=O)O MCULE-8595593482 [0,2,0,0,0,0|1,0,1]=4 1687 B8R0.34 CC(O)(CN)CC(=O)O MCULE-3304637192 [0,2,0,0,0,0|1,0,1]=4 1688 B8R0.34 CC(O)(CN)CC(=O)O MCULE-4143526784 [0,2,0,0,0,0|1,0,1]=4 1689 B8R0.34 CCC(C)(O)CC(=O)O MCULE-2487477968 [0,2,0,0,0,0|1,0,1]=4 1690 B8R0.34 CCS(=O)(=O)CC(=O)O MCULE-2833586083 [0,2,0,0,0,0|1,0,1]=4 1691 B8R0.34 CNS(=O)(=O)CC(=O)O MCULE-3154336304 [0,2,0,0,0,0|1,0,1]=4 1692 B8R0.34 COC(C)(C)CC(=O)O MCULE-3953307849 [0,2,0,0,0,0|1,0,1]=4 1693 B8R0.34 O=C(O)CP(=O)(O)OO MCULE-4846368706 [0,2,0,0,0,0|1,0,0]=3 1694 B8R0.34 O=C([O-])CP(=O)([O-])CO MCULE-3115316649 [0,2,0,0,0,0|1,0,1]=4 1695 B8R0.34 O=C([O-])CP(=O)([O-])CO MCULE-8841838500 [0,2,0,0,0,0|1,0,1]=4 1696 B8R0.27 CC(C(=O)O)P(=O)(O)O MCULE-8565461015 [0,2,0,0,0,0|1,0,0]=3 1697 B8R0.27 CC(C(=O)O)S(=O)(=O)C MCULE-7357476405 [0,2,0,0,0,0|1,0,1]=4 1698 B8R0.27 CC(C(=O)O)S(=O)(=O)N MCULE-9865873949 [0,2,0,0,0,0|1,0,1]=4 1699 B8R0.27 CC(C)(O)C(N)C(=O)O MCULE-4257891769 [0,2,0,0,0,0|1,0,1]=4 1700 B8R0.27 CC(C)(O)C(N)C(=O)O MCULE-4291820573 [0,2,0,0,0,0|1,0,1]=4 1701 B8R0.27 CC(C)(O)C(N)C(=O)O MCULE-8731964950 [0,2,0,0,0,0|1,0,1]=4 1702 B8R0.27 CC(C)(O)C(O)C(=O)O MCULE-2030710507 [0,2,0,0,0,0|1,0,1]=4 1703 B8R0.27 CC(C)(O)[C@@H](N)C(=O)O MCULE-2953137860 [0,2,0,0,0,0|1,0,1]=4 1704 B8R0.27 CC(C)(O)[C@@H](N)C(=O)O MCULE-3424625974 [0,2,0,0,0,0|1,0,1]=4 1705 B8R0.27 CC(C)(O)[C@H](N)C(=O)O MCULE-3721152032 [0,2,0,0,0,0|1,0,1]=4 1706 B8R0.27 CC(C)(O)[C@H](N)C(=O)O MCULE-7599346102 [0,2,0,0,0,0|1,0,1]=4 1707 B8R0.27 CC(C)(O)[C@H](N)C(=O)O MCULE-9499245205 [0,2,0,0,0,0|1,0,1]=4 1708 B8R0.27 CP(=O)(C)C(O)C(=O)O MCULE-6921301874 [0,2,0,0,0,0|2,0,0]=4 1709 B8R0.27 O=C(O)C(Cl)P(=O)(O)O MCULE-8492715834 [0,2,0,0,0,0|1,0,0]=3 1710 B8R0.27 O=C(O)C(O)P(=O)(O)O MCULE-5564177953 [0,2,0,0,0,0|1,0,0]=3 1711 B8R0.27 [C@@H](N)(C(=O)O)C(C)(C)O MCULE-5116872005 [0,2,0,0,0,0|1,0,1]=4 1712 B8R0.33 O=P(O)(O)CP(=O)(O)O MCULE-3698902523 [0,2,0,0,0,0|2,0,0]=4 1713 B8R0.33 O=S(=O)(O)CS(=O)(=O)O MCULE-5748386072 [0,2,0,0,0,0|2,0,0]=4 1714 B8R0.18 CC(=O)C(C=O)C(=O)C MCULE-8700117770 [0,2,0,0,0,0|2,0,0]=4 1715 B8R0.18 CCC(C(=O)C)C(=O)C MCULE-2654310210 [0,2,0,0,0,0|2,0,0]=4 1716 B8R0.18 CCC(C(=O)C)C(=O)[O-] MCULE-6595833151 [0,2,0,0,0,0|1,0,1]=4 1717 B8R0.18 CCC(C(=O)C)C(=O)[O-] MCULE-8541174028 [0,2,0,0,0,0|1,0,1]=4 1718 B8R0.18 CCC(C(=O)Cl)C(=O)Cl MCULE-8542721391 [0,2,0,0,0,0|2,0,0]=4 1719 B8R0.18 CCC(C(=O)O)C(=O)O MCULE-3288957588 [0,2,0,0,0,0|0,0,0]=2 1720 B8R0.18 CCC(C(=O)O)C(C)O MCULE-1064081188 [0,2,0,0,0,0|1,0,1]=4 1721 B8R0.18 CCC(C(=O)[O-])C(=O)[O-] MCULE-5481544745 [0,2,0,0,0,0|0,0,2]=4 1722 B8R0.18 CNC(C(=O)O)C(C)O MCULE-8017224741 [0,2,0,0,0,0|1,0,1]=4 1723 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O MCULE-5405618703 [0,2,0,0,0,0|1,0,1]=4 1724 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O MCULE-6470355986 [0,2,0,0,0,0|1,0,1]=4 1725 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O MCULE-7261692258 [0,2,0,0,0,0|1,0,1]=4 1726 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O MCULE-7763091319 [0,2,0,0,0,0|1,0,1]=4 1727 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O MCULE-8429501411 [0,2,0,0,0,0|1,0,1]=4 1728 B8R0.18 COC(C(=O)C)C(=O)C MCULE-2169553892 [0,2,0,0,0,0|2,0,0]=4 1729 B8R0.18 O=C(O)C(=CBr)C(=O)O MCULE-6610352716 [0,2,0,0,0,0|0,0,1]=3 1730 B8R0.37 C=C(C)C(C)(C)C(=O)O MCULE-2186408605 [0,2,0,0,0,0|2,0,0]=4 1731 B8R0.37 C=C(Cl)C(C)(C)C(=O)O MCULE-1485350518 [0,2,0,0,0,0|2,0,0]=4 1732 B8R0.37 CC(=O)C(C)(C)C(=O)C MCULE-5128209361 [0,2,0,0,0,0|2,0,0]=4 1733 B8R0.37 CC(=O)C(C)(C)C(=O)O MCULE-5093326895 [0,2,0,0,0,0|1,0,0]=3 1734 B8R0.37 CC(=O)C(C)(C)C(=O)[O-] MCULE-6832030747 [0,2,0,0,0,0|1,0,1]=4 1735 B8R0.37 CC(=O)C(F)(Cl)C(=O)C MCULE-6002616162 [0,2,0,0,0,0|2,0,0]=4 1736 B8R0.37 CC(C)(C(=O)Cl)C(=O)Cl MCULE-1150837488 [0,2,0,0,0,0|2,0,0]=4 1737 B8R0.37 CC(C)(C(=O)N)C(=O)N MCULE-2181233977 [0,2,0,0,0,0|2,0,0]=4 1738 B8R0.37 CC(C)(C(=O)N)C(=O)O MCULE-2390691265 [0,2,0,0,0,0|1,0,0]=3 1739 B8R0.37 CC(C)(C(=O)O)C(=O)O MCULE-7318511088 [0,2,0,0,0,0|0,0,0]=2 1740 B8R0.37 CC(O)C(C)(N)C(=O)O MCULE-9781647782 [0,2,0,0,0,0|1,0,1]=4 1741 B8R0.37 CC(O)C(C)(O)C(=O)O MCULE-5546110054 [0,2,0,0,0,0|1,0,1]=4 1742 B8R0.37 CC(O)C(F)(F)C(=O)O MCULE-8714570962 [0,2,0,0,0,0|1,0,1]=4 1743 B8R0.37 C[C@@H](O)[C@](C)(N)C(=O)O MCULE-4212497890 [0,2,0,0,0,0|1,0,1]=4 1744 B8R0.37 C[C@@H](O)[C@](C)(N)C(=O)O MCULE-7382680634 [0,2,0,0,0,0|1,0,1]=4 1745 B8R0.37 C[C@H](O)[C@@](C)(N)C(=O)O MCULE-5661079280 [0,2,0,0,0,0|1,0,1]=4 1746 B8R0.37 NC(=O)C(Br)(Br)C(=O)N MCULE-6758740224 [0,2,0,0,0,0|2,0,0]=4 1747 B8R0.37 NC(=O)C(F)(F)C(=O)N MCULE-3505764072 [0,2,0,0,0,0|2,0,0]=4 1748 B8R0.37 O=C(F)C(F)(F)C(=O)F MCULE-9160770290 [0,2,0,0,0,0|2,0,0]=4 1749 B8R0.37 O=C(O)C(F)(F)C(=O)O MCULE-4438516030 [0,2,0,0,0,0|0,0,0]=2 1750 B8R0.37 O=C(O)C(O)(O)C(=O)O MCULE-1610310703 [0,2,0,0,0,0|0,0,0]=2 1751 B8R0.37 O=C([O-])C(O)(O)C(=O)[O-] MCULE-3122749001 [0,2,0,0,0,0|0,0,2]=4 1752 B6R1.2 O=C1C=CCO1 MCULE-4296503663 [1,0,0,1,0,0|1,0,1]=4 1753 B6R1.2 O=C1CC=CC1 MCULE-7606670114 [1,0,0,1,0,0|2,0,0]=4 1754 B6R1.2 O=C1CC=NN1 MCULE-1672455504 [1,0,0,1,0,0|2,0,0]=4 1755 B6R1.2 O=C1CCCO1 MCULE-6795890265 [1,0,0,1,0,0|1,0,1]=4 1756 B6R1.2 O=C1CCOC1 MCULE-2031733910 [1,0,0,1,0,0|1,0,1]=4 1757 B6R1.2 O=C1CCON1 MCULE-6799359324 [1,0,0,1,0,0|1,0,1]=4 1758 B6R1.2 O=C1NC=CO1 MCULE-4371023805 [1,0,0,1,0,0|2,0,0]=4 1759 B6R1.2 O=C1OC=CO1 MCULE-1924277704 [1,0,0,1,0,0|2,0,0]=4 1760 B6R1.2 OC1=NOC=C1 MCULE-6441945551 [1,0,0,1,0,0|1,0,1]=4 1761 B6R1.5 C=C1CC(=O)O1 MCULE-7149487095 [1,0,0,1,0,0|1,0,0]=3 1762 B6R1.5 CC1CC(=O)O1 MCULE-9285847382 [1,0,0,1,0,0|1,0,1]=4 1763 B6R1.5 C[C@@H]1CC(=O)O1 MCULE-3257475519 [1,0,0,1,0,0|1,0,1]=4 1764 B6R1.5 O=C1CC(C1)O MCULE-7099112258 [1,0,0,1,0,0|1,0,1]=4 1765 B6R1.11 CC(=O)C1CO1 MCULE-4329154079 [1,0,0,1,0,0|1,0,1]=4 1766 B6R1.11 NC(=O)C1CO1 MCULE-6911744868 [1,0,0,1,0,0|1,0,1]=4 1767 B6R1.11 O=C(O)C1CC1 MCULE-4677373694 [1,0,0,1,0,0|1,0,1]=4 1768 B6R1.11 O=C(O)C1CN1 MCULE-3236125597 [1,0,0,1,0,0|1,0,1]=4 1769 B6R1.11 O=C(O)C1CO1 MCULE-2152916793 [1,0,0,1,0,0|0,0,1]=3 1770 B6R1.11 O=C(O)[C@@H]1CN1 MCULE-4363753412 [1,0,0,1,0,0|1,0,1]=4 1771 B6R1.11 O=C(O)[C@H]1CN1 MCULE-4830347195 [1,0,0,1,0,0|1,0,1]=4 1772 B6R1.11 O=C(O)[C@H]1CO1 MCULE-5204459723 [1,0,0,1,0,0|0,0,1]=3 1773 B6R1.11 O=C(O)[C@H]1CO1 MCULE-6983707093 [1,0,0,1,0,0|0,0,1]=3 1774 B6R1.11 O=C([O-])C1CO1 MCULE-4586459966 [1,0,0,1,0,0|0,0,2]=4 1775 B6R1.11 O=C([O-])[C@@H]1CO1 MCULE-1647975669 [1,0,0,1,0,0|0,0,2]=4 1776 B6R1.11 O=C([O-])[C@@H]1CO1 MCULE-1906997950 [1,0,0,1,0,0|0,0,2]=4 1777 B6R1.11 O=C([O-])[C@@H]1CO1 MCULE-4899800766 [1,0,0,1,0,0|0,0,2]=4 1778 B6R1.11 O=C([O-])[C@@H]1CO1 MCULE-9148170094 [1,0,0,1,0,0|0,0,2]=4 1779 B6R1.11 O=C([O-])[C@H]1CO1 MCULE-6663734494 [1,0,0,1,0,0|0,0,2]=4 1780 B6R1.11 O=C([O-])[C@H]1CO1 MCULE-8580451361 [1,0,0,1,0,0|0,0,2]=4 1781 B8R1.3 O=C1CCC(=O)CC1 MCULE-5432049567 [0,0,0,1,0,1|2,0,0]=4 1782 B8R1.3 O=C1CCC(=O)NC1 MCULE-8297515560 [0,0,0,1,0,1|2,0,0]=4 1783 B8R1.3 O=C1CCC(=O)NN1 MCULE-3404255918 [0,0,0,1,0,1|2,0,0]=4 1784 B8R1.3 O=C1CCC(=O)OC1 MCULE-5478039984 [0,0,0,1,0,1|1,0,0]=3 1785 B8R1.3 O=C1CCC(CO1)O MCULE-6372408261 [0,0,0,1,0,1|1,0,1]=4 1786 B8R1.3 O=C1CNC(=O)CN1 MCULE-7134033861 [0,0,0,1,0,1|2,0,0]=4 1787 B8R1.3 O=C1COC(=O)CN1 MCULE-4171313774 [0,0,0,1,0,1|1,0,0]=3 1788 B8R1.3 O=C1COC(=O)CO1 MCULE-8927291216 [0,0,0,1,0,1|1,0,0]=3 1789 B8R1.23 C1(CC(=O)N1)C(=O)O MCULE-3416083471 [0,0,0,1,0,1|1,0,0]=3 1790 B8R1.23 C=C1CC(C1)C(=O)O MCULE-6435857280 [0,0,0,1,0,1|2,0,0]=4 1791 B8R1.23 CC(=O)N1CC(=O)C1 MCULE-4555368577 [0,0,0,1,0,1|2,0,0]=4 1792 B8R1.23 O=C(O)C1CC(C1)O MCULE-4341192467 [0,0,0,1,0,1|1,0,1]=4 1793 B8R1.23 O=C(O)[C@H]1C[C@@H](C1)O MCULE-9908072079 [0,0,0,1,0,1|1,0,1]=4 1794 B8R1.23 O=C(O)[C@H]1C[C@H](C1)O MCULE-5181925767 [0,0,0,1,0,1|1,0,1]=4 1795 B8R1.23 O=C1CC(C1)C(=O)Cl MCULE-5261758509 [0,0,0,1,0,1|2,0,0]=4 1796 B8R1.23 O=C1CC(C1)C(=O)O MCULE-8672788982 [0,0,0,1,0,1|1,0,0]=3 1797 B8R1.23 O=C1CC(N1)C(=O)O MCULE-3167823583 [0,0,0,1,0,1|1,0,0]=3 1798 B8R1.23 O=C1CC(O1)C(=O)O MCULE-1791104685 [0,0,0,1,0,1|0,0,0]=2 1799 B8R1.23 O=C1C[C@@H](N1)C(=O)O MCULE-2118093307 [0,0,0,1,0,1|1,0,0]=3 1800 B8R1.23 O=C1C[C@@H](N1)C(=O)O MCULE-7784171286 [0,0,0,1,0,1|1,0,0]=3 1801 B8R1.23 O=C1C[C@H](N1)C(=O)O MCULE-1255798587 [0,0,0,1,0,1|1,0,0]=3 1802 B8R1.23 O=C1C[C@H](N1)C(=O)O MCULE-6947698869 [0,0,0,1,0,1|1,0,0]=3 1803 B8R1.35 O=C(O)CCC1CO1 MCULE-1859826371 [0,0,0,1,0,1|1,0,1]=4 1804 B8R1.51 CP1(=O)CCC(=O)O1 MCULE-3689691243 [0,0,0,1,0,1|2,0,0]=4 1805 B8R1.51 O=C1CCS(=O)(=O)O1 MCULE-1696670151 [0,0,0,1,0,1|1,0,1]=4 1806 B8R1.1 COC1=CC(=O)OC1 MCULE-9199919492 [0,1,0,1,0,0|1,0,1]=4 1807 B8R1.1 O=C1C=C(CO1)CO MCULE-9263407854 [0,1,0,1,0,0|1,0,1]=4 1808 B8R1.1 O=C1CC(CO1)CO MCULE-7403068263 [0,1,0,1,0,0|1,0,1]=4 1809 B8R1.1 O=CC1COC(=O)C1 MCULE-7312168752 [0,1,0,1,0,0|1,0,1]=4 1810 B8R1.4 O=C1C=C(COC1)O MCULE-2385941614 [0,1,0,1,0,0|1,0,1]=4 1811 B8R1.4 O=C1C=CNC(=O)C1 MCULE-7422070219 [0,1,0,1,0,0|2,0,0]=4 1812 B8R1.4 O=C1C=COC(=O)C1 MCULE-9289887221 [0,1,0,1,0,0|1,0,0]=3 1813 B8R1.4 O=C1CC(=O)NC=N1 MCULE-1818472509 [0,1,0,1,0,0|2,0,0]=4 1814 B8R1.4 O=C1CCCC(=O)C1 MCULE-7494421285 [0,1,0,1,0,0|2,0,0]=4 1815 B8R1.4 O=C1CCNC(=O)C1 MCULE-7662080105 [0,1,0,1,0,0|2,0,0]=4 1816 B8R1.4 O=C1CCOC(=O)C1 MCULE-3134133687 [0,1,0,1,0,0|1,0,0]=3 1817 B8R1.4 O=C1CNCC(=O)C1 MCULE-9390215509 [0,1,0,1,0,0|2,0,0]=4 1818 B8R1.4 O=C1CNCC(=O)C1 MCULE-9631657912 [0,1,0,1,0,0|2,0,0]=4 1819 B8R1.4 O=C1COCC(=O)C1 MCULE-1763175933 [0,1,0,1,0,0|1,0,0]=3 1820 B8R1.4 O=C1COCC(=O)N1 MCULE-2640203723 [0,1,0,1,0,0|2,0,0]=4 1821 B8R1.4 O=C1COCC(=O)O1 MCULE-7640970930 [0,1,0,1,0,0|2,0,0]=4 1822 B8R1.4 O=C1COCC(C1)O MCULE-6056926421 [0,1,0,1,0,0|1,0,1]=4 1823 B8R1.4 O=C1CSCC(=O)C1 MCULE-7749510849 [0,1,0,1,0,0|1,1,0]=4 1824 B8R1.4 O=C1[CH-]C(=O)COC1 MCULE-6235987509 [0,1,0,1,0,0|1,0,1]=4 1825 B8R1.4 O=C1[CH-]C(=O)COC1 MCULE-9016019550 [0,1,0,1,0,0|1,0,1]=4 1826 B8R1.18 C=C1CC(=O)OC1=O MCULE-1819893564 [0,1,0,1,0,0|1,0,0]=3 1827 B8R1.18 CC1=CC(=O)OC1=O MCULE-1735822163 [0,1,0,1,0,0|1,0,1]=4 1828 B8R1.18 CC1=CC(=O)OC1O MCULE-2111708862 [0,1,0,1,0,0|1,0,1]=4 1829 B8R1.18 CC1=CC(=O)O[C@@H]1O MCULE-3894053073 [0,1,0,1,0,0|1,0,1]=4 1830 B8R1.18 CC1CC(=O)OC1=O MCULE-6043315810 [0,1,0,1,0,0|1,0,1]=4 1831 B8R1.18 CC1CC(=O)OC1O MCULE-7140241012 [0,1,0,1,0,0|1,0,1]=4 1832 B8R1.18 CC1NC(=O)CC1=O MCULE-3973500509 [0,1,0,1,0,0|2,0,0]=4 1833 B8R1.18 CC1OC(=O)C=C1O MCULE-1494473960 [0,1,0,1,0,0|1,0,1]=4 1834 B8R1.18 CC1OC(=O)NC1=O MCULE-8191598152 [0,1,0,1,0,0|2,0,0]=4 1835 B8R1.18 CN1CC(=O)CC1=O MCULE-9941627549 [0,1,0,1,0,0|2,0,0]=4 1836 B8R1.18 CN1CC(=O)OC1=O MCULE-7537862268 [0,1,0,1,0,0|2,0,0]=4 1837 B8R1.18 C[C@H]1CC(=O)OC1=O MCULE-7764909201 [0,1,0,1,0,0|1,0,1]=4 1838 B8R1.18 NC1CC(=O)OC1=O MCULE-1406790351 [0,1,0,1,0,0|1,0,1]=4 1839 B8R1.18 NC1CC(=O)OC1=O MCULE-2807590870 [0,1,0,1,0,0|1,0,1]=4 1840 B8R1.18 N[C@@H]1CC(=O)OC1=O MCULE-1937927503 [0,1,0,1,0,0|1,0,1]=4 1841 B8R1.18 N[C@@H]1CC(=O)OC1=O MCULE-2080587685 [0,1,0,1,0,0|1,0,1]=4 1842 B8R1.18 N[C@@H]1CC(=O)OC1=O MCULE-8793349665 [0,1,0,1,0,0|1,0,1]=4 1843 B8R1.18 N[C@@H]1CC(=O)OC1=O MCULE-9640337170 [0,1,0,1,0,0|1,0,1]=4 1844 B8R1.18 N[C@H]1CC(=O)OC1=O MCULE-3191926438 [0,1,0,1,0,0|1,0,1]=4 1845 B8R1.18 N[C@H]1CC(=O)OC1=O MCULE-4503342222 [0,1,0,1,0,0|1,0,1]=4 1846 B8R1.18 O=C1C=C(C(=O)O1)Br MCULE-2984870530 [0,1,0,1,0,0|1,0,1]=4 1847 B8R1.18 O=C1C=C(C(O1)O)Cl MCULE-9764142144 [0,1,0,1,0,0|1,0,1]=4 1848 B8R1.18 O=C1CC(=C(O1)Br)O MCULE-8632709834 [0,1,0,1,0,0|1,0,0]=3 1849 B8R1.31 C=C1CCC1C(=O)O MCULE-7307560863 [0,1,0,1,0,0|2,0,0]=4 1850 B8R1.31 O=C(O)C1CCC1O MCULE-5612797663 [0,1,0,1,0,0|1,0,1]=4 1851 B8R1.31 O=C(O)[C@@H]1CC[C@H]1O MCULE-4502275905 [0,1,0,1,0,0|1,0,1]=4 1852 B8R1.31 O=C(O)[C@H]1CC[C@@H]1O MCULE-1446557503 [0,1,0,1,0,0|1,0,1]=4 1853 B8R1.34 O=C(O)CC1CCO1 MCULE-7021545652 [0,1,0,1,0,0|1,0,1]=4 1854 B8R1.34 O=C(O)CC1COC1 MCULE-1090518485 [0,1,0,1,0,0|1,0,1]=4 1855 B8R1.40 COC(=O)CC1CO1 MCULE-1978729257 [0,1,0,1,0,0|1,0,1]=4 1856 B8R1.40 COC(=O)C[C@@H]1CO1 MCULE-5425441463 [0,1,0,1,0,0|1,0,1]=4 1857 B8R1.42 O=C(O)CC1(CC1)O MCULE-1745399123 [0,1,0,1,0,0|1,0,1]=4 1858 B8R1.43 COC1CC1C(=O)O MCULE-8490015991 [0,1,0,1,0,0|1,0,1]=4 1859 B8R1.43 O=C(O)C1CC1CO MCULE-5433690867 [0,1,0,1,0,0|1,0,1]=4 1860 B8R1.43 O=C(O)[C@@H]1C[C@H]1CO MCULE-9657133495 [0,1,0,1,0,0|1,0,1]=4 1861 B8R1.43 O=C(O)[C@H]1C[C@@H]1CO MCULE-1395497386 [0,1,0,1,0,0|1,0,1]=4 1862 B8R1.50 CC1=C(COC1=O)O MCULE-4822806082 [0,1,0,1,0,0|1,0,1]=4 1863 B8R1.50 CC1=NOC(=O)C1C MCULE-6668573558 [0,1,0,1,0,0|2,0,0]=4 1864 B8R1.50 CC1C(=O)CCC1=O MCULE-4418458735 [0,1,0,1,0,0|2,0,0]=4 1865 B8R1.50 CC1C(=O)COC1=O MCULE-4188541096 [0,1,0,1,0,0|1,0,0]=3 1866 B8R1.50 CN1C(=O)COC1=O MCULE-1190604947 [0,1,0,1,0,0|2,0,0]=4 1867 B8R1.50 O=C1CCC(=O)C1Br MCULE-7463233898 [0,1,0,1,0,0|2,0,0]=4 1868 B8R1.50 O=C1CCC(=O)C1Cl MCULE-9440848782 [0,1,0,1,0,0|2,0,0]=4 1869 B8R1.50 O=C1COC(=O)C1Br MCULE-7458581655 [0,1,0,1,0,0|1,0,0]=3 1870 B8R1.50 O=C1COC(=O)C1Cl MCULE-1326411169 [0,1,0,1,0,0|1,0,0]=3 1871 B8R1.50 O=C1OCC(=C1Br)O MCULE-3463044896 [0,1,0,1,0,0|1,0,1]=4 1872 B8R1.50 O=C1OCC(C1O)O MCULE-9766741798 [0,1,0,1,0,0|1,0,1]=4 1873 B8R1.50 O=C1OC[C@@H]([C@@H]1Br)O MCULE-5447777048 [0,1,0,1,0,0|1,0,1]=4 1874 B8R1.50 O=C1OC[C@@H]([C@@H]1Br)O MCULE-8691985034 [0,1,0,1,0,0|1,0,1]=4 1875 B8R1.50 O=C1OC[C@@H]([C@@H]1O)O MCULE-8629460196 [0,1,0,1,0,0|1,0,1]=4 1876 B8R1.50 O=C1OC[C@@H]([C@H]1O)O MCULE-7303431003 [0,1,0,1,0,0|1,0,1]=4 1877 B8R1.50 O=C1OC[C@H]([C@H]1O)O MCULE-4704805755 [0,1,0,1,0,0|1,0,1]=4 1878 B8R1.50 O=C1OC[C@H]([C@H]1O)O MCULE-7070309718 [0,1,0,1,0,0|1,0,1]=4 1879 B8R1.50 O=C1OC[C@H]([C@H]1O)O MCULE-7824820688 [0,1,0,1,0,0|1,0,1]=4 1880 B8R0.28 C=C(Br)CCCC(=O)O MCULE-5394609034 [0,0,0,0,0,2|2,0,0]=4 1881 B8R0.28 C=C(C)CCCC(=O)O MCULE-1282031449 [0,0,0,0,0,2|2,0,0]=4 1882 B8R0.28 C=C(Cl)CCCC(=O)O MCULE-9525654231 [0,0,0,0,0,2|2,0,0]=4 1883 B8R0.28 CC(=CCCC(=O)O)C MCULE-5848388333 [0,0,0,0,0,2|2,0,0]=4 1884 B8R0.28 CC(=O)CC=CC(=O)O MCULE-9526483708 [0,0,0,0,0,2|1,0,0]=3 1885 B8R0.28 CC(=O)CCCC(=O)C MCULE-9250637004 [0,0,0,0,0,2|2,0,0]=4 1886 B8R0.28 CC(=O)CCCC(=O)N MCULE-8753142022 [0,0,0,0,0,2|2,0,0]=4 1887 B8R0.28 CC(=O)CCCC(=O)O MCULE-2498129200 [0,0,0,0,0,2|1,0,0]=3 1888 B8R0.28 CC(=O)CCOC(=O)C MCULE-5123903575 [0,0,0,0,0,2|2,0,0]=4 1889 B8R0.28 CC(=O)COCC(=O)C MCULE-1945925794 [0,0,0,0,0,2|2,0,0]=4 1890 B8R0.28 CC(=O)NCCC(=O)N MCULE-6090839432 [0,0,0,0,0,2|2,0,0]=4 1891 B8R0.28 CC(=O)NCCC(=O)O MCULE-8867286578 [0,0,0,0,0,2|1,0,0]=3 1892 B8R0.28 CC(=O)NCNC(=O)C MCULE-3469911833 [0,0,0,0,0,2|2,0,0]=4 1893 B8R0.28 CC(=O)OCCC(=O)O MCULE-6617841906 [0,0,0,0,0,2|1,0,0]=3 1894 B8R0.28 CC(=O)OCOC(=O)C MCULE-9458993444 [0,0,0,0,0,2|2,0,0]=4 1895 B8R0.28 CC(=O)SCCC(=O)Cl MCULE-7772328654 [0,0,0,0,0,2|2,0,0]=4 1896 B8R0.28 CC(=O)SCCC(=O)O MCULE-2263963171 [0,0,0,0,0,2|1,0,0]=3 1897 B8R0.28 CC(O)CCCC(=O)O MCULE-6696855762 [0,0,0,0,0,2|1,0,1]=4 1898 B8R0.28 N=C(N)NCCC(=O)O MCULE-6783592689 [0,0,0,0,0,2|2,0,0]=4 1899 B8R0.28 N=C(N)SCCC(=O)O MCULE-6820090813 [0,0,0,0,0,2|2,0,0]=4 1900 B8R0.28 N=C(N)SCCC(=O)O MCULE-9820250060 [0,0,0,0,0,2|2,0,0]=4 1901 B8R0.28 N=C(S)NCCC(=O)O MCULE-7149670288 [0,0,0,0,0,2|1,1,0]=4 1902 B8R0.28 NC(=O)CCCC(=O)N MCULE-8380308624 [0,0,0,0,0,2|2,0,0]=4 1903 B8R0.28 NC(=O)CCCC(=O)O MCULE-9714346244 [0,0,0,0,0,2|1,0,0]=3 1904 B8R0.28 NC(=O)CNCC(=O)N MCULE-7451569201 [0,0,0,0,0,2|2,0,0]=4 1905 B8R0.28 NC(=O)CNCC(=O)O MCULE-2816922286 [0,0,0,0,0,2|1,0,0]=3 1906 B8R0.28 NC(=O)COCC(=O)O MCULE-3868584388 [0,0,0,0,0,2|1,0,0]=3 1907 B8R0.28 NC(=O)CSCC(=O)N MCULE-1673116541 [0,0,0,0,0,2|2,0,0]=4 1908 B8R0.28 NC(=O)CSCC(=O)O MCULE-1419621262 [0,0,0,0,0,2|1,0,0]=3 1909 B8R0.28 NC(=O)NC=CC(=O)O MCULE-5004188805 [0,0,0,0,0,2|1,0,1]=4 1910 B8R0.28 NC(=O)NCCC(=O)O MCULE-3799706782 [0,0,0,0,0,2|1,0,0]=3 1911 B8R0.28 NC(=O)NCNC(=O)N MCULE-2324881355 [0,0,0,0,0,2|2,0,0]=4 1912 B8R0.28 NC(=O)NN=CC(=O)O MCULE-1954165276 [0,0,0,0,0,2|1,0,1]=4 1913 B8R0.28 NC(=S)SCCC(=O)O MCULE-1371836153 [0,0,0,0,0,2|1,1,0]=4 1914 B8R0.28 O=C(Cl)CCCC(=O)Cl MCULE-6157663188 [0,0,0,0,0,2|2,0,0]=4 1915 B8R0.28 O=C(Cl)COCC(=O)Cl MCULE-4828514058 [0,0,0,0,0,2|2,0,0]=4 1916 B8R0.28 O=C(O)/C=C/CC(=O)O MCULE-3754065542 [0,0,0,0,0,2|0,0,0]=2 1917 B8R0.28 O=C(O)C=CCC(=O)O MCULE-2034660220 [0,0,0,0,0,2|0,0,0]=2 1918 B8R0.28 O=C(O)CCCC(=O)O MCULE-4286022994 [0,0,0,0,0,2|0,0,0]=2 1919 B8R0.28 O=C(O)CCCN(=O)=O MCULE-2601801792 [0,0,0,0,0,2|1,0,1]=4 1920 B8R0.28 O=C(O)CNCC(=O)O MCULE-4131542591 [0,0,0,0,0,2|0,0,0]=2 1921 B8R0.28 O=C(O)COCC(=O)O MCULE-5687758679 [0,0,0,0,0,2|0,0,0]=2 1922 B8R0.28 O=C(O)CSCC(=O)O MCULE-8112166808 [0,0,0,0,0,2|0,0,0]=2 1923 B8R0.28 O=C([O-])CCCC(=O)[O-] MCULE-3809476672 [0,0,0,0,0,2|0,0,2]=4 1924 B8R0.28 O=C([O-])CNCC(=O)[O-] MCULE-1067264838 [0,0,0,0,0,2|0,0,2]=4 1925 B8R0.28 O=C([O-])COCC(=O)O MCULE-3773620396 [0,0,0,0,0,2|0,0,1]=3 1926 B8R0.28 O=C([O-])COCC(=O)O MCULE-5768077440 [0,0,0,0,0,2|0,0,1]=3 1927 B8R0.28 OC(=S)COCC(=S)O MCULE-1054878793 [0,0,0,0,0,2|0,2,0]=4 1928 B8R0.28 [NH2+](CC(=O)N)CC(=O)N MCULE-7548046822 [0,0,0,0,0,2|2,0,0]=4