0 B6R0.2 C/C(=C\C(=S)N)/N MCULE-9311101194 [0,0,0,0,0,0|2,0,0]=2 1 B6R0.2 C=C(C)C=C(C)C MCULE-1842732141 [0,0,0,0,0,0|4,0,0]=4 2 B6R0.2 C=C(C)CC(=O)C MCULE-3534735279 [0,0,0,0,0,0|3,0,0]=3 3 B6R0.2 C=C(C)CC(=O)O MCULE-5404023928 [0,0,0,0,0,0|3,1,0]=4 4 B6R0.2 C=C(C)OC(=O)C MCULE-9345377025 [0,0,0,0,0,0|3,0,0]=3 5 B6R0.2 C=C(I)CC(=O)O MCULE-3849925169 [0,0,0,0,0,0|4,0,0]=4 6 B6R0.2 CC(=CC(=O)Cl)C MCULE-7644585609 [0,0,0,0,0,0|3,1,0]=4 7 B6R0.2 CC(=CC(=O)N)C MCULE-6264319579 [0,0,0,0,0,0|2,1,0]=3 8 B6R0.2 CC(=CC(=O)O)C MCULE-4772426340 [0,0,0,0,0,0|3,1,0]=4 9 B6R0.2 CC(=CC(=O)O)Cl MCULE-7503760292 [0,0,0,0,0,0|3,1,0]=4 10 B6R0.2 CC(=CC(=O)O)I MCULE-2652373771 [0,0,0,0,0,0|3,1,0]=4 11 B6R0.2 CC(=CC(=O)O)N MCULE-5894724848 [0,0,0,0,0,0|3,0,0]=3 12 B6R0.2 CC(=CC(=S)N)N MCULE-2731073832 [0,0,0,0,0,0|2,0,0]=2 13 B6R0.2 CC(=N)CC(=O)C MCULE-4678643052 [0,0,0,0,0,0|2,0,1]=3 14 B6R0.2 CC(=O)/C=C(/C)\N MCULE-1235186190 [0,0,0,0,0,0|2,0,0]=2 15 B6R0.2 CC(=O)/C=C(/C)\[O-] MCULE-3445340105 [0,0,0,0,0,0|2,1,0]=3 16 B6R0.2 CC(=O)/C=C(/C)\[O-] MCULE-7833799417 [0,0,0,0,0,0|2,1,0]=3 17 B6R0.2 CC(=O)/C=C(\C)/N MCULE-6412393370 [0,0,0,0,0,0|2,0,0]=2 18 B6R0.2 CC(=O)C=C(C)C MCULE-4922478422 [0,0,0,0,0,0|3,0,0]=3 19 B6R0.2 CC(=O)C=C(C)N MCULE-2247743178 [0,0,0,0,0,0|2,0,0]=2 20 B6R0.2 CC(=O)C=C(C)O MCULE-7345258397 [0,0,0,0,0,0|2,1,0]=3 21 B6R0.2 CC(=O)C=C(C)[O-] MCULE-7733093724 [0,0,0,0,0,0|2,1,0]=3 22 B6R0.2 CC(=O)CC(=O)C MCULE-6481204381 [0,0,0,0,0,0|2,1,0]=3 23 B6R0.2 CC(=O)CC(=O)N MCULE-1618058771 [0,0,0,0,0,0|1,1,0]=2 24 B6R0.2 CC(=O)CC(=O)O MCULE-2601276539 [0,0,0,0,0,0|2,1,0]=3 25 B6R0.2 CC(=O)CC(=O)[O-] MCULE-6317885864 [0,0,0,0,0,0|2,1,0]=3 26 B6R0.2 CC(=O)CC(=O)[O-] MCULE-8448177875 [0,0,0,0,0,0|2,1,0]=3 27 B6R0.2 CC(=O)CC(C)C MCULE-2172909634 [0,0,0,0,0,0|3,0,1]=4 28 B6R0.2 CC(=O)CC(C)N MCULE-1028280795 [0,0,0,0,0,0|2,0,1]=3 29 B6R0.2 CC(=O)CC(C)N MCULE-7911343070 [0,0,0,0,0,0|2,0,1]=3 30 B6R0.2 CC(=O)CC(C)O MCULE-5175367575 [0,0,0,0,0,0|2,1,1]=4 31 B6R0.2 CC(=O)CN(=O)=O MCULE-3153232896 [0,0,0,0,0,0|3,1,0]=4 32 B6R0.2 CC(=O)CN(C)C MCULE-8561521241 [0,0,0,0,0,0|4,0,0]=4 33 B6R0.2 CC(=O)C[C@@H](C)N MCULE-1260669737 [0,0,0,0,0,0|2,0,1]=3 34 B6R0.2 CC(=O)C[C@@H](C)N MCULE-6556661125 [0,0,0,0,0,0|2,0,1]=3 35 B6R0.2 CC(=O)NC(=N)N MCULE-9300028018 [0,0,0,0,0,0|1,0,0]=1 36 B6R0.2 CC(=O)NC(=O)C MCULE-3040534108 [0,0,0,0,0,0|1,1,0]=2 37 B6R0.2 CC(=O)NC(=O)N MCULE-8999775359 [0,0,0,0,0,0|0,1,0]=1 38 B6R0.2 CC(=O)NC(=S)N MCULE-8448117000 [0,0,0,0,0,0|0,0,0]=0 39 B6R0.2 CC(=O)NC(C)C MCULE-2095134698 [0,0,0,0,0,0|2,0,1]=3 40 B6R0.2 CC(=O)NN(C)C MCULE-3444969121 [0,0,0,0,0,0|3,0,0]=3 41 B6R0.2 CC(=O)NN(C)C MCULE-5383938091 [0,0,0,0,0,0|3,0,0]=3 42 B6R0.2 CC(=O)OC(=O)C MCULE-9184217748 [0,0,0,0,0,0|2,1,0]=3 43 B6R0.2 CC(=O)OC(C)Br MCULE-6494616843 [0,0,0,0,0,0|3,0,1]=4 44 B6R0.2 CC(=O)OC(C)C MCULE-6152257819 [0,0,0,0,0,0|3,0,1]=4 45 B6R0.2 CC(=O)OC(C)Cl MCULE-3738479003 [0,0,0,0,0,0|3,0,1]=4 46 B6R0.2 CC(=O)SC(=O)C MCULE-5749449964 [0,0,0,0,0,0|2,1,0]=3 47 B6R0.2 CC(=O)[CH-]C(=O)C MCULE-4855074933 [0,0,0,0,0,0|2,1,0]=3 48 B6R0.2 CC(=O)[CH-]C(=O)C MCULE-6905854247 [0,0,0,0,0,0|2,1,0]=3 49 B6R0.2 CC(Br)CC(=S)N MCULE-3013222937 [0,0,0,0,0,0|2,0,1]=3 50 B6R0.2 CC(C)CC(=N)N MCULE-1578322850 [0,0,0,0,0,0|3,0,1]=4 51 B6R0.2 CC(C)CC(=N)N MCULE-1643115412 [0,0,0,0,0,0|3,0,1]=4 52 B6R0.2 CC(C)CC(=N)N MCULE-9650824038 [0,0,0,0,0,0|3,0,1]=4 53 B6R0.2 CC(C)CC(=O)N MCULE-7790849976 [0,0,0,0,0,0|2,1,1]=4 54 B6R0.2 CC(C)CC(=S)N MCULE-7704222819 [0,0,0,0,0,0|2,0,1]=3 55 B6R0.2 CC(C)NC(=N)N MCULE-4913172476 [0,0,0,0,0,0|2,0,1]=3 56 B6R0.2 CC(C)NC(=N)N MCULE-4959976198 [0,0,0,0,0,0|2,0,1]=3 57 B6R0.2 CC(C)NC(=N)N MCULE-5602505573 [0,0,0,0,0,0|2,0,1]=3 58 B6R0.2 CC(C)NC(=N)N MCULE-8448870710 [0,0,0,0,0,0|2,0,1]=3 59 B6R0.2 CC(C)NC(=O)N MCULE-2725741897 [0,0,0,0,0,0|1,1,1]=3 60 B6R0.2 CC(C)NC(=S)N MCULE-9243939729 [0,0,0,0,0,0|1,0,1]=2 61 B6R0.2 CC(C)OC(=N)N MCULE-3607061697 [0,0,0,0,0,0|3,0,1]=4 62 B6R0.2 CC(C)OC(=N)N MCULE-6662387960 [0,0,0,0,0,0|3,0,1]=4 63 B6R0.2 CC(C)OC(=O)N MCULE-9996500963 [0,0,0,0,0,0|2,1,1]=4 64 B6R0.2 CC(C)OC(=S)[S-] MCULE-2902588510 [0,0,0,0,0,0|3,0,1]=4 65 B6R0.2 CC(C)OC(=S)[S-] MCULE-9078070002 [0,0,0,0,0,0|3,0,1]=4 66 B6R0.2 CC(C)OC(=S)[S-] MCULE-9949285618 [0,0,0,0,0,0|3,0,1]=4 67 B6R0.2 CC(C)SC(=N)N MCULE-1974434339 [0,0,0,0,0,0|3,0,1]=4 68 B6R0.2 CC(C)SC(=N)N MCULE-3570639733 [0,0,0,0,0,0|3,0,1]=4 69 B6R0.2 CC(N)CC(=O)N MCULE-8604112274 [0,0,0,0,0,0|2,1,1]=4 70 B6R0.2 CC(N)CC(=O)N MCULE-8651032460 [0,0,0,0,0,0|2,1,1]=4 71 B6R0.2 CC(N)CC(=O)O MCULE-2960589915 [0,0,0,0,0,0|3,0,1]=4 72 B6R0.2 CC(N)CC(=O)O MCULE-5772407106 [0,0,0,0,0,0|3,0,1]=4 73 B6R0.2 CC(N)CC(=O)O MCULE-7818257350 [0,0,0,0,0,0|3,0,1]=4 74 B6R0.2 CC(N)CC(=O)O MCULE-7847644131 [0,0,0,0,0,0|3,0,1]=4 75 B6R0.2 CC(N)CS(=O)C MCULE-1278482312 [0,0,0,0,0,0|3,0,1]=4 76 B6R0.2 CC(O)CC(=O)N MCULE-7442557911 [0,0,0,0,0,0|1,1,2]=4 77 B6R0.2 CN(C)CC(=O)N MCULE-3894706713 [0,0,0,0,0,0|3,1,0]=4 78 B6R0.2 CN(C)CC(=S)N MCULE-3863789639 [0,0,0,0,0,0|3,0,0]=3 79 B6R0.2 CN(C)CC(=S)N MCULE-8756068308 [0,0,0,0,0,0|3,0,0]=3 80 B6R0.2 CN(C)NC(=O)N MCULE-4462686977 [0,0,0,0,0,0|2,1,0]=3 81 B6R0.2 C[C@@H](N)CC(=O)O MCULE-2652696372 [0,0,0,0,0,0|3,0,1]=4 82 B6R0.2 C[C@@H](N)CC(=O)O MCULE-7054489636 [0,0,0,0,0,0|3,0,1]=4 83 B6R0.2 C[C@@H](N)CC(=O)O MCULE-7621851215 [0,0,0,0,0,0|3,0,1]=4 84 B6R0.2 C[C@@H](N)CC(=O)O MCULE-8671397640 [0,0,0,0,0,0|3,0,1]=4 85 B6R0.2 C[C@H](N)CC(=O)O MCULE-2656839691 [0,0,0,0,0,0|3,0,1]=4 86 B6R0.2 C[C@H](N)CC(=O)O MCULE-4695512293 [0,0,0,0,0,0|3,0,1]=4 87 B6R0.2 C[C@H](N)CC(=O)O MCULE-5288044169 [0,0,0,0,0,0|3,0,1]=4 88 B6R0.2 C[C@H](N)CC(=O)O MCULE-6641912058 [0,0,0,0,0,0|3,0,1]=4 89 B6R0.2 N=C(N)CC(=N)N MCULE-4863741442 [0,0,0,0,0,0|4,0,0]=4 90 B6R0.2 N=C(N)CC(=N)N MCULE-8523596922 [0,0,0,0,0,0|4,0,0]=4 91 B6R0.2 N=C(N)CC(=O)N MCULE-9200673939 [0,0,0,0,0,0|3,0,0]=3 92 B6R0.2 N=C(N)NC(=N)N MCULE-3279959199 [0,0,0,0,0,0|3,0,0]=3 93 B6R0.2 N=C(N)NC(=N)N MCULE-5410461738 [0,0,0,0,0,0|3,0,0]=3 94 B6R0.2 N=C(N)NC(=N)N MCULE-7433325616 [0,0,0,0,0,0|3,0,0]=3 95 B6R0.2 N=C(N)NC(=O)N MCULE-1919966850 [0,0,0,0,0,0|2,0,0]=2 96 B6R0.2 N=C(N)NC(=O)N MCULE-3428379172 [0,0,0,0,0,0|2,0,0]=2 97 B6R0.2 N=C(N)NC(=O)N MCULE-6044803486 [0,0,0,0,0,0|2,0,0]=2 98 B6R0.2 N=C(N)NC(=O)N MCULE-8893931961 [0,0,0,0,0,0|2,0,0]=2 99 B6R0.2 N=C(N)NC(=S)N MCULE-9372871737 [0,0,0,0,0,0|2,0,0]=2 100 B6R0.2 N=C(N)NN(=O)=O MCULE-1616315638 [0,0,0,0,0,0|3,0,0]=3 101 B6R0.2 N=C(N)OC(=[NH2+])N MCULE-1040352274 [0,0,0,0,0,0|4,0,0]=4 102 B6R0.2 N=C(N)OC(=[NH2+])N MCULE-7233867485 [0,0,0,0,0,0|4,0,0]=4 103 B6R0.2 N=C([NH3+])CC(=O)N MCULE-7769639649 [0,0,0,0,0,0|3,0,1]=4 104 B6R0.2 NC(=CN(=O)=O)N MCULE-9629386307 [0,0,0,0,0,0|4,0,0]=4 105 B6R0.2 NC(=O)CC(=O)N MCULE-7675159766 [0,0,0,0,0,0|2,1,0]=3 106 B6R0.2 NC(=O)CC(=O)O MCULE-1168254626 [0,0,0,0,0,0|2,1,0]=3 107 B6R0.2 NC(=O)CC(=S)N MCULE-9383188328 [0,0,0,0,0,0|2,0,0]=2 108 B6R0.2 NC(=O)CN(=O)=O MCULE-2051107739 [0,0,0,0,0,0|3,1,0]=4 109 B6R0.2 NC(=O)CN(=O)=O MCULE-6284821429 [0,0,0,0,0,0|3,1,0]=4 110 B6R0.2 NC(=O)NC(=O)N MCULE-4571627886 [0,0,0,0,0,0|1,1,0]=2 111 B6R0.2 NC(=S)CC(=S)N MCULE-2555051271 [0,0,0,0,0,0|2,1,0]=3 112 B6R0.2 NC(=S)NC(=S)N MCULE-5725707827 [0,0,0,0,0,0|1,1,0]=2 113 B6R0.2 NC(F)CC(=O)O MCULE-1563194776 [0,0,0,0,0,0|3,0,1]=4 114 B6R0.2 NC(F)CC(=O)O MCULE-1655564430 [0,0,0,0,0,0|3,0,1]=4 115 B6R0.2 O=C(Cl)CC(=O)Cl MCULE-8779098368 [0,0,0,0,0,0|3,1,0]=4 116 B6R0.2 O=C(O)C=C(Br)Br MCULE-4379078717 [0,0,0,0,0,0|4,0,0]=4 117 B6R0.2 O=C(O)C=C(Cl)Cl MCULE-5096440659 [0,0,0,0,0,0|4,0,0]=4 118 B6R0.2 O=C(O)CC(=O)O MCULE-5893043131 [0,0,0,0,0,0|3,1,0]=4 119 B6R0.2 O=C([O-])CC(=O)[O-] MCULE-2327820884 [0,0,0,0,0,0|3,1,0]=4 120 B6R0.2 O=C([O-])CC(=O)[O-] MCULE-6849635529 [0,0,0,0,0,0|3,1,0]=4 121 B6R0.2 [NH2+]=C(N)NC(=S)N MCULE-8048711850 [0,0,0,0,0,0|2,0,0]=2 122 B6R0.2 [NH3+]C(=S)NC(=N)N MCULE-7154221603 [0,0,0,0,0,0|2,0,1]=3 123 B5R0.1 C/C(=C/CN)/Cl MCULE-1091573118 [1,0,0,0,0,0|2,0,1]=4 124 B5R0.1 C/C(=C/CN)/Cl MCULE-8112023611 [1,0,0,0,0,0|2,0,1]=4 125 B5R0.1 C/C=C/C(=O)C MCULE-2109656516 [1,0,0,0,0,0|2,0,0]=3 126 B5R0.1 C/C=C/C(=O)Cl MCULE-8378824386 [1,0,0,0,0,0|2,1,0]=4 127 B5R0.1 C/C=C/C(=O)N MCULE-2532228624 [1,0,0,0,0,0|1,1,0]=3 128 B5R0.1 C/C=C/C(=O)O MCULE-6937494852 [1,0,0,0,0,0|2,1,0]=4 129 B5R0.1 C=C(C)CCN MCULE-4037025602 [1,0,0,0,0,0|2,0,1]=4 130 B5R0.1 C=C(C)CCN MCULE-5001503744 [1,0,0,0,0,0|2,0,1]=4 131 B5R0.1 C=C(C)CNN MCULE-1117931770 [1,0,0,0,0,0|3,0,0]=4 132 B5R0.1 C=C(C)CON MCULE-2773974323 [1,0,0,0,0,0|3,0,0]=4 133 B5R0.1 C=C(C)CON MCULE-5978680243 [1,0,0,0,0,0|3,0,0]=4 134 B5R0.1 C=CC=C(C)C MCULE-7590870659 [1,0,0,0,0,0|3,0,0]=4 135 B5R0.1 C=CCC(=C)C MCULE-6294070836 [1,0,0,0,0,0|3,0,0]=4 136 B5R0.1 C=CCC(=N)N MCULE-6305125234 [1,0,0,0,0,0|2,0,1]=4 137 B5R0.1 C=CCC(=O)Cl MCULE-6033189203 [1,0,0,0,0,0|3,0,0]=4 138 B5R0.1 C=CCC(=O)N MCULE-1205335257 [1,0,0,0,0,0|1,1,1]=4 139 B5R0.1 C=CCC(=O)O MCULE-6288979337 [1,0,0,0,0,0|3,0,0]=4 140 B5R0.1 C=CNC(=O)C MCULE-1260296806 [1,0,0,0,0,0|1,0,0]=2 141 B5R0.1 C=CNC(=O)N MCULE-4235216182 [1,0,0,0,0,0|0,1,1]=3 142 B5R0.1 C=COC(=O)C MCULE-7626795765 [1,0,0,0,0,0|2,0,0]=3 143 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|3,0,0]=4 145 B5R0.1 C=NCC(=S)N MCULE-6261527142 [1,0,0,0,0,0|2,0,1]=4 146 B5R0.1 CC#CC(=O)C MCULE-4083248904 [1,0,0,0,0,0|2,0,1]=4 147 B5R0.1 CC(=CC=O)C MCULE-7002222435 [1,0,0,0,0,0|2,1,0]=4 148 B5R0.1 CC(=CC=O)Cl MCULE-2279693190 [1,0,0,0,0,0|2,1,0]=4 149 B5R0.1 CC(=CC=O)N MCULE-2659507627 [1,0,0,0,0,0|2,0,0]=3 150 B5R0.1 CC(=CCN)C MCULE-7220252581 [1,0,0,0,0,0|2,0,1]=4 151 B5R0.1 CC(=CCN)C MCULE-8394581250 [1,0,0,0,0,0|2,0,1]=4 152 B5R0.1 CC(=CCN)Cl MCULE-1749173363 [1,0,0,0,0,0|2,0,1]=4 153 B5R0.1 CC(=CCN)Cl MCULE-5722512850 [1,0,0,0,0,0|2,0,1]=4 154 B5R0.1 CC(=N)NC#N MCULE-7065360421 [1,0,0,0,0,0|1,0,2]=4 155 B5R0.1 CC(=O)/C=N/O MCULE-5424156575 [1,0,0,0,0,0|2,1,0]=4 156 B5R0.1 CC(=O)/C=N\O MCULE-9083768531 [1,0,0,0,0,0|2,1,0]=4 157 B5R0.1 CC(=O)C=C=O MCULE-4335598177 [1,0,0,0,0,0|1,1,1]=4 158 B5R0.1 CC(=O)C=NO MCULE-5513006918 [1,0,0,0,0,0|2,1,0]=4 159 B5R0.1 CC(=O)CC#N MCULE-7203242552 [1,0,0,0,0,0|1,0,2]=4 160 B5R0.1 CC(=O)CCBr MCULE-2615300206 [1,0,0,0,0,0|2,0,1]=4 161 B5R0.1 CC(=O)CCCl MCULE-8019748964 [1,0,0,0,0,0|2,0,1]=4 162 B5R0.1 CC(=O)CCN MCULE-7550348751 [1,0,0,0,0,0|1,0,1]=3 163 B5R0.1 CC(=O)CCN MCULE-9519063810 [1,0,0,0,0,0|1,0,1]=3 164 B5R0.1 CC(=O)CCO MCULE-6328537335 [1,0,0,0,0,0|1,1,1]=4 165 B5R0.1 CC(=O)N=C=S MCULE-7540453687 [1,0,0,0,0,0|0,0,2]=3 166 B5R0.1 CC(=O)N=S=O MCULE-1420371815 [1,0,0,0,0,0|1,1,1]=4 167 B5R0.1 CC(=O)NC#N MCULE-8444599659 [1,0,0,0,0,0|0,0,2]=3 168 B5R0.1 CC(=O)NCO MCULE-4563335540 [1,0,0,0,0,0|0,1,1]=3 169 B5R0.1 CC(=O)OCBr MCULE-9842804945 [1,0,0,0,0,0|2,0,1]=4 170 B5R0.1 CC(=O)OCCl MCULE-6822222026 [1,0,0,0,0,0|2,0,1]=4 171 B5R0.1 CC(=O)SCBr MCULE-9794607323 [1,0,0,0,0,0|2,0,1]=4 172 B5R0.1 CC(C)NC=O MCULE-1764010394 [1,0,0,0,0,0|1,1,1]=4 173 B5R0.1 CC=CC(=O)C MCULE-4826977340 [1,0,0,0,0,0|2,0,0]=3 174 B5R0.1 CC=CC(=O)Cl MCULE-2747622237 [1,0,0,0,0,0|2,1,0]=4 175 B5R0.1 CC=CC(=O)N MCULE-9693879476 [1,0,0,0,0,0|1,1,0]=3 176 B5R0.1 CC=CC(=O)O MCULE-7970410217 [1,0,0,0,0,0|2,1,0]=4 177 B5R0.1 CCCC(=N)N MCULE-5974105638 [1,0,0,0,0,0|2,0,1]=4 178 B5R0.1 CCCC(=N)N MCULE-9230704591 [1,0,0,0,0,0|2,0,1]=4 179 B5R0.1 CCCC(=O)C MCULE-7174095676 [1,0,0,0,0,0|2,0,1]=4 180 B5R0.1 CCCC(=O)N MCULE-2712067671 [1,0,0,0,0,0|1,1,1]=4 181 B5R0.1 CCCC(=S)N MCULE-3529335988 [1,0,0,0,0,0|1,0,1]=3 182 B5R0.1 CCCC(=S)O MCULE-3382199964 [1,0,0,0,0,0|2,0,1]=4 183 B5R0.1 CCNC(=N)N MCULE-4729418155 [1,0,0,0,0,0|1,0,1]=3 184 B5R0.1 CCNC(=N)N MCULE-5123343071 [1,0,0,0,0,0|1,0,1]=3 185 B5R0.1 CCNC(=O)C MCULE-7543656350 [1,0,0,0,0,0|1,0,1]=3 186 B5R0.1 CCNC(=O)Cl MCULE-5831262934 [1,0,0,0,0,0|1,1,1]=4 187 B5R0.1 CCNC(=O)N MCULE-1913599861 [1,0,0,0,0,0|0,1,1]=3 188 B5R0.1 CCNC(=S)N MCULE-3849517146 [1,0,0,0,0,0|0,0,1]=2 189 B5R0.1 CCOC(=N)N MCULE-3570858508 [1,0,0,0,0,0|2,0,1]=4 190 B5R0.1 CCOC(=N)N MCULE-6061063856 [1,0,0,0,0,0|2,0,1]=4 191 B5R0.1 CCOC(=O)C MCULE-6628539781 [1,0,0,0,0,0|2,0,1]=4 192 B5R0.1 CCOC(=O)N MCULE-1776877276 [1,0,0,0,0,0|1,1,1]=4 193 B5R0.1 CCOC(=S)C MCULE-3358897597 [1,0,0,0,0,0|2,0,1]=4 194 B5R0.1 CCOC(=S)N MCULE-4649285010 [1,0,0,0,0,0|1,0,1]=3 195 B5R0.1 CCOC(=S)[S-] MCULE-6247969567 [1,0,0,0,0,0|2,0,1]=4 196 B5R0.1 CCOC(=S)[S-] MCULE-6902289618 [1,0,0,0,0,0|2,0,1]=4 197 B5R0.1 CCOC(=S)[S-] MCULE-9105300958 [1,0,0,0,0,0|2,0,1]=4 198 B5R0.1 CCSC(=N)N MCULE-2161729152 [1,0,0,0,0,0|2,0,1]=4 199 B5R0.1 CCSC(=N)N MCULE-2547252984 [1,0,0,0,0,0|2,0,1]=4 200 B5R0.1 CCSC(=O)C MCULE-8015440229 [1,0,0,0,0,0|2,0,1]=4 201 B5R0.1 CCSC(=S)C MCULE-1502137460 [1,0,0,0,0,0|2,0,1]=4 202 B5R0.1 CCSC(=S)[S-] MCULE-2573650807 [1,0,0,0,0,0|2,0,1]=4 203 B5R0.1 CCSC(=S)[S-] MCULE-6172057982 [1,0,0,0,0,0|2,0,1]=4 204 B5R0.1 CC[NH2+]C(=N)N MCULE-1701852752 [1,0,0,0,0,0|1,0,2]=4 205 B5R0.1 CC[O+]=C(N)N MCULE-2484225131 [1,0,0,0,0,0|2,0,1]=4 206 B5R0.1 CC[O+]=C(N)N MCULE-6688774534 [1,0,0,0,0,0|2,0,1]=4 207 B5R0.1 CN(C)NC=O MCULE-1557896286 [1,0,0,0,0,0|2,1,0]=4 208 B5R0.1 CNCC(=O)C MCULE-3695443024 [1,0,0,0,0,0|3,0,0]=4 209 B5R0.1 CNCC(=O)C MCULE-7402723072 [1,0,0,0,0,0|3,0,0]=4 210 B5R0.1 CNCC(=O)N MCULE-2328887394 [1,0,0,0,0,0|2,1,0]=4 211 B5R0.1 CNCC(=O)N MCULE-3031605853 [1,0,0,0,0,0|2,1,0]=4 212 B5R0.1 CNCC(=O)N MCULE-7300977677 [1,0,0,0,0,0|2,1,0]=4 213 B5R0.1 CNNC(=S)N MCULE-5838387497 [1,0,0,0,0,0|1,0,0]=2 214 B5R0.1 CNOC(=O)C MCULE-1464426541 [1,0,0,0,0,0|3,0,0]=4 215 B5R0.1 CNOC(=O)C MCULE-2976282666 [1,0,0,0,0,0|3,0,0]=4 216 B5R0.1 COCC(=N)N MCULE-4711728356 [1,0,0,0,0,0|3,0,0]=4 217 B5R0.1 COCC(=N)N MCULE-7163250467 [1,0,0,0,0,0|3,0,0]=4 218 B5R0.1 COCC(=O)C MCULE-7262197587 [1,0,0,0,0,0|3,0,0]=4 219 B5R0.1 COCC(=O)N MCULE-6674958132 [1,0,0,0,0,0|2,1,0]=4 220 B5R0.1 COCC(=S)N MCULE-2046809269 [1,0,0,0,0,0|2,0,0]=3 221 B5R0.1 CONC(=O)C MCULE-6601866630 [1,0,0,0,0,0|2,0,0]=3 222 B5R0.1 CONC(=O)N MCULE-3063713861 [1,0,0,0,0,0|1,1,0]=3 223 B5R0.1 CONC(=S)C MCULE-1876042939 [1,0,0,0,0,0|2,0,0]=3 224 B5R0.1 CS(=O)CCN MCULE-6497874560 [1,0,0,0,0,0|2,0,1]=4 225 B5R0.1 CS(=O)CCN MCULE-8275663766 [1,0,0,0,0,0|2,0,1]=4 226 B5R0.1 CS(=O)CCN MCULE-8330490290 [1,0,0,0,0,0|2,0,1]=4 227 B5R0.1 CSCC(=N)N MCULE-7800929509 [1,0,0,0,0,0|3,0,0]=4 228 B5R0.1 CSCC(=N)N MCULE-8499985777 [1,0,0,0,0,0|3,0,0]=4 229 B5R0.1 CSCC(=O)C MCULE-4131794172 [1,0,0,0,0,0|3,0,0]=4 230 B5R0.1 CSCC(=O)N MCULE-4865579476 [1,0,0,0,0,0|2,1,0]=4 231 B5R0.1 CSCC(=S)N MCULE-5029100305 [1,0,0,0,0,0|2,0,0]=3 232 B5R0.1 CSNC(=O)C MCULE-7350061514 [1,0,0,0,0,0|2,0,0]=3 233 B5R0.1 N#CCC(=S)N MCULE-6348216099 [1,0,0,0,0,0|2,0,1]=4 234 B5R0.1 N=C(N)NC=O MCULE-2702198735 [1,0,0,0,0,0|1,0,0]=2 235 B5R0.1 NC(=O)C=CCl MCULE-3595468874 [1,0,0,0,0,0|2,1,0]=4 236 B5R0.1 NC(=O)NCO MCULE-7403641101 [1,0,0,0,0,0|0,1,2]=4 237 B5R0.1 NC(=O)NN=O MCULE-2820469915 [1,0,0,0,0,0|1,1,0]=3 238 B5R0.1 NCCC(=O)Cl MCULE-1298355499 [1,0,0,0,0,0|2,0,1]=4 239 B5R0.1 NCCC(=O)N MCULE-2899414135 [1,0,0,0,0,0|2,0,1]=4 240 B5R0.1 NCCC(=O)N MCULE-6993286668 [1,0,0,0,0,0|2,0,1]=4 241 B5R0.1 NCCC(=O)O MCULE-1344289084 [1,0,0,0,0,0|2,0,1]=4 242 B5R0.1 NCCC(=O)O MCULE-2298605337 [1,0,0,0,0,0|2,0,1]=4 243 B5R0.1 NCCC(=O)O MCULE-9375577631 [1,0,0,0,0,0|2,0,1]=4 244 B5R0.1 NCCC(=O)[O-] MCULE-2492250086 [1,0,0,0,0,0|2,0,1]=4 245 B5R0.1 NNCC(=O)N MCULE-2794619708 [1,0,0,0,0,0|3,0,0]=4 246 B5R0.1 NNCC(=O)N MCULE-6773156087 [1,0,0,0,0,0|3,0,0]=4 247 B5R0.1 NNCC(=O)O MCULE-4908184724 [1,0,0,0,0,0|3,0,0]=4 248 B5R0.1 NNCC(=O)O MCULE-6315598774 [1,0,0,0,0,0|3,0,0]=4 249 B5R0.1 NOCC(=O)O MCULE-4566186819 [1,0,0,0,0,0|3,0,0]=4 250 B5R0.1 NOCC(=O)O MCULE-4824237418 [1,0,0,0,0,0|3,0,0]=4 251 B5R0.1 NOCC(=O)O MCULE-8132180423 [1,0,0,0,0,0|3,0,0]=4 252 B5R0.1 O=C(Cl)C=CCl MCULE-7984379237 [1,0,0,0,0,0|3,0,0]=4 253 B5R0.1 O=C(O)/C=C/Br MCULE-7284519266 [1,0,0,0,0,0|3,0,0]=4 254 B5R0.1 O=C(O)/C=C/Cl MCULE-1625781671 [1,0,0,0,0,0|3,0,0]=4 255 B5R0.1 O=C(O)/C=C/I MCULE-3339607379 [1,0,0,0,0,0|3,0,0]=4 256 B5R0.1 O=C(O)/C=C\Br MCULE-6149049313 [1,0,0,0,0,0|3,0,0]=4 257 B5R0.1 O=C(O)/C=C\Cl MCULE-1221996674 [1,0,0,0,0,0|3,0,0]=4 258 B5R0.1 O=C(O)/C=C\I MCULE-3065405012 [1,0,0,0,0,0|3,0,0]=4 259 B5R0.1 O=C(O)C=CBr MCULE-2956464856 [1,0,0,0,0,0|3,0,0]=4 260 B5R0.1 O=C(O)C=CCl MCULE-6369812151 [1,0,0,0,0,0|3,0,0]=4 261 B5R0.1 O=C(O)C=CI MCULE-7162332129 [1,0,0,0,0,0|3,0,0]=4 262 B5R0.1 O=C([O-])C=CCl MCULE-4750072789 [1,0,0,0,0,0|3,0,0]=4 263 B7R0.2 C/N=C(\N)/N=C(N)N MCULE-5422737043 [0,1,0,0,0,0|2,0,1]=4 264 B7R0.2 C=C(C#N)OC(=O)C MCULE-8738842712 [0,1,0,0,0,0|2,0,1]=4 265 B7R0.2 C=CC(=O)NC(=O)N MCULE-8826369233 [0,1,0,0,0,0|0,1,1]=3 266 B7R0.2 CC(=CC(=O)O)C=O MCULE-7652207149 [0,1,0,0,0,0|2,1,0]=4 267 B7R0.2 CC(=O)NC(=O)CBr MCULE-3222708274 [0,1,0,0,0,0|1,1,0]=3 268 B7R0.2 CC(=O)NC(C)CN MCULE-4226474809 [0,1,0,0,0,0|1,0,1]=3 269 B7R0.2 CC(=O)NC(C)CN MCULE-7570690280 [0,1,0,0,0,0|1,0,1]=3 270 B7R0.2 CC(=O)NC(C)CO MCULE-9455210462 [0,1,0,0,0,0|1,1,1]=4 271 B7R0.2 CC(=O)N[C@H](C)CO MCULE-2174899443 [0,1,0,0,0,0|1,1,1]=4 272 B7R0.2 CC(=O)N[C@H](C)CO MCULE-5097293473 [0,1,0,0,0,0|1,1,1]=4 273 B7R0.2 CC(C#N)NC(=O)N MCULE-6628848826 [0,1,0,0,0,0|1,1,1]=4 274 B7R0.2 CC(C)NC(=O)CBr MCULE-1272363222 [0,1,0,0,0,0|2,0,1]=4 275 B7R0.2 CC(C)NC(=O)CCl MCULE-8342964960 [0,1,0,0,0,0|2,0,1]=4 276 B7R0.2 CC(C)NC(=O)CI MCULE-8316056040 [0,1,0,0,0,0|2,0,1]=4 277 B7R0.2 CC(C)NC(=O)CN MCULE-7188824856 [0,1,0,0,0,0|1,1,1]=4 278 B7R0.2 CC(C)NC(=O)CN MCULE-8867435369 [0,1,0,0,0,0|1,1,1]=4 279 B7R0.2 CC(C)NC(=O)CO MCULE-5386700783 [0,1,0,0,0,0|2,0,1]=4 280 B7R0.2 CC(C)NC(=S)NN MCULE-9711818578 [0,1,0,0,0,0|1,0,1]=3 281 B7R0.2 CCC(=O)CC(=O)C MCULE-1892470405 [0,1,0,0,0,0|2,1,0]=4 282 B7R0.2 CCC(=O)CC(=O)O MCULE-1083768149 [0,1,0,0,0,0|2,1,0]=4 283 B7R0.2 CCC(=O)NC(=S)N MCULE-7487842736 [0,1,0,0,0,0|0,0,0]=1 284 B7R0.2 CCC(=O)NC(C)C MCULE-3565002235 [0,1,0,0,0,0|2,0,1]=4 285 B7R0.2 CCC(=O)OC(=O)C MCULE-8264492254 [0,1,0,0,0,0|2,1,0]=4 286 B7R0.2 CCC(C)NC(=O)N MCULE-6186330882 [0,1,0,0,0,0|1,1,1]=4 287 B7R0.2 CCC(C)NC(=S)N MCULE-8856391382 [0,1,0,0,0,0|1,0,1]=3 288 B7R0.2 CNC(=CC(=O)C)C MCULE-1943688292 [0,1,0,0,0,0|2,0,0]=3 289 B7R0.2 CNC(=N)NC(=N)N MCULE-4251668857 [0,1,0,0,0,0|2,0,0]=3 290 B7R0.2 CNC(=N)NC(=N)N MCULE-5148103019 [0,1,0,0,0,0|2,0,0]=3 291 B7R0.2 CNC(=N)NN(=O)=O MCULE-4979164671 [0,1,0,0,0,0|3,0,0]=4 292 B7R0.2 CNC(=O)CC(=N)N MCULE-4798896062 [0,1,0,0,0,0|2,0,0]=3 293 B7R0.2 CNC(=O)CC(=N)N MCULE-6994336455 [0,1,0,0,0,0|2,0,0]=3 294 B7R0.2 CNC(=O)CC(=O)C MCULE-4316009681 [0,1,0,0,0,0|1,1,0]=3 295 B7R0.2 CNC(=O)CC(=O)O MCULE-3506871336 [0,1,0,0,0,0|2,1,0]=4 296 B7R0.2 CNC(=O)CC(=S)N MCULE-1637389152 [0,1,0,0,0,0|1,0,0]=2 297 B7R0.2 CNC(=O)CC(C)N MCULE-7773306348 [0,1,0,0,0,0|2,0,1]=4 298 B7R0.2 CNC(=O)CC(C)N MCULE-8658175271 [0,1,0,0,0,0|2,0,1]=4 299 B7R0.2 CNC(=O)NC(=O)C MCULE-9100713966 [0,1,0,0,0,0|0,1,0]=2 300 B7R0.2 CNC(=O)NC(=O)N MCULE-8107942434 [0,1,0,0,0,0|0,1,0]=2 301 B7R0.2 COC(=CC(=O)C)C MCULE-1939113485 [0,1,0,0,0,0|2,1,0]=4 302 B7R0.2 COC(=O)/C=C(/C)\N MCULE-2378404457 [0,1,0,0,0,0|2,0,0]=3 303 B7R0.2 COC(=O)/C=C(\C)/N MCULE-7223502425 [0,1,0,0,0,0|2,0,0]=3 304 B7R0.2 COC(=O)C=C(C)C MCULE-9357284649 [0,1,0,0,0,0|3,0,0]=4 305 B7R0.2 COC(=O)C=C(C)N MCULE-8452012306 [0,1,0,0,0,0|2,0,0]=3 306 B7R0.2 COC(=O)C=C(C)[O-] MCULE-2706789496 [0,1,0,0,0,0|2,1,0]=4 307 B7R0.2 COC(=O)C=C(C)[O-] MCULE-4482386969 [0,1,0,0,0,0|2,1,0]=4 308 B7R0.2 COC(=O)CC(=N)N MCULE-3622266378 [0,1,0,0,0,0|2,0,0]=3 309 B7R0.2 COC(=O)CC(=N)N MCULE-8717458518 [0,1,0,0,0,0|2,0,0]=3 310 B7R0.2 COC(=O)CC(=O)C MCULE-1265364784 [0,1,0,0,0,0|2,1,0]=4 311 B7R0.2 COC(=O)CC(=O)Cl MCULE-5016603273 [0,1,0,0,0,0|2,1,0]=4 312 B7R0.2 COC(=O)CC(=O)N MCULE-7129379910 [0,1,0,0,0,0|1,1,0]=3 313 B7R0.2 COC(=O)CC(=O)O MCULE-7983457925 [0,1,0,0,0,0|2,1,0]=4 314 B7R0.2 COC(=O)CC(=O)[O-] MCULE-4316322156 [0,1,0,0,0,0|2,1,0]=4 315 B7R0.2 COC(=O)CC(=S)N MCULE-3325362226 [0,1,0,0,0,0|1,0,0]=2 316 B7R0.2 COC(=O)CC(C)N MCULE-2402304310 [0,1,0,0,0,0|2,0,1]=4 317 B7R0.2 COC(=O)CC(C)N MCULE-3520358398 [0,1,0,0,0,0|2,0,1]=4 318 B7R0.2 COC(=O)CC(C)N MCULE-4044567169 [0,1,0,0,0,0|2,0,1]=4 319 B7R0.2 COC(=O)CC(C)N MCULE-5962991844 [0,1,0,0,0,0|2,0,1]=4 320 B7R0.2 COC(=O)C[C@@H](C)N MCULE-1483636974 [0,1,0,0,0,0|2,0,1]=4 321 B7R0.2 COC(=O)C[C@@H](C)N MCULE-4260923997 [0,1,0,0,0,0|2,0,1]=4 322 B7R0.2 COC(=O)C[C@@H](C)N MCULE-6569883717 [0,1,0,0,0,0|2,0,1]=4 323 B7R0.2 COC(=O)C[C@@H](C)N MCULE-9853158708 [0,1,0,0,0,0|2,0,1]=4 324 B7R0.2 COC(=O)C[C@H](C)N MCULE-1385999778 [0,1,0,0,0,0|2,0,1]=4 325 B7R0.2 COC(=O)C[C@H](C)N MCULE-1446150641 [0,1,0,0,0,0|2,0,1]=4 326 B7R0.2 COC(=O)C[C@H](C)N MCULE-2979603570 [0,1,0,0,0,0|2,0,1]=4 327 B7R0.2 COC(=O)C[C@H](C)N MCULE-7679126750 [0,1,0,0,0,0|2,0,1]=4 328 B7R0.2 COC(=O)NC(C)C MCULE-4552685948 [0,1,0,0,0,0|2,0,1]=4 329 B7R0.2 N/C(=N/O)/CC(=O)O MCULE-5236282846 [0,1,0,0,0,0|2,1,0]=4 330 B7R0.2 N=C(N)NC(=O)CO MCULE-1435627041 [0,1,0,0,0,0|1,0,0]=2 331 B7R0.2 NC(=O)C/C(=N\O)/N MCULE-7090967368 [0,1,0,0,0,0|2,1,0]=4 332 B7R0.2 NC(=O)NC(=O)CBr MCULE-4561848957 [0,1,0,0,0,0|0,1,0]=2 333 B7R0.2 NC(=O)NC(=O)CCl MCULE-6047100495 [0,1,0,0,0,0|0,1,0]=2 334 B7R0.2 O=C(Br)CC(=O)CBr MCULE-5776576043 [0,1,0,0,0,0|2,1,0]=4 335 B7R0.2 O=C(C=C(Cl)Cl)CCl MCULE-5580104687 [0,1,0,0,0,0|3,0,0]=4 336 B7R0.2 O=C(Cl)CC(=O)CCl MCULE-6416318811 [0,1,0,0,0,0|2,1,0]=4 337 B7R0.2 O=C(O)CC(=O)CCl MCULE-9671015150 [0,1,0,0,0,0|2,1,0]=4 338 B7R0.2 O=C(O)CC(=O)CO MCULE-2224143705 [0,1,0,0,0,0|2,1,0]=4 339 B7R0.9 CC(=O)CC(C)(C)N MCULE-1511988439 [0,1,0,0,0,0|2,0,1]=4 340 B7R0.9 CC(=O)CC(C)(C)N MCULE-7807079460 [0,1,0,0,0,0|2,0,1]=4 341 B7R0.9 CC(=O)CC(C)(C)N MCULE-8677016157 [0,1,0,0,0,0|2,0,1]=4 342 B7R0.9 CC(=O)CS(=O)(=O)N MCULE-1632563820 [0,1,0,0,0,0|2,1,0]=4 343 B7R0.9 CC(=O)NC(C)(C)C MCULE-7590749185 [0,1,0,0,0,0|2,0,1]=4 344 B7R0.9 CC(=O)NS(=O)(=O)Cl MCULE-3658721510 [0,1,0,0,0,0|2,1,0]=4 345 B7R0.9 CC(=O)N[Si](C)(C)C MCULE-1892187625 [0,1,0,0,0,0|2,1,0]=4 346 B7R0.9 CC(C)(C)NC(=N)N MCULE-5609903716 [0,1,0,0,0,0|2,0,1]=4 347 B7R0.9 CC(C)(C)NC(=N)N MCULE-8833744812 [0,1,0,0,0,0|2,0,1]=4 348 B7R0.9 CC(C)(C)NC(=O)N MCULE-7867571542 [0,1,0,0,0,0|1,1,1]=4 349 B7R0.9 CC(C)(C)NC(=S)N MCULE-5791832264 [0,1,0,0,0,0|1,0,1]=3 350 B7R0.9 CC(C)(C)NC(=S)S MCULE-9499841333 [0,1,0,0,0,0|2,0,1]=4 351 B7R0.9 CC(C)(C)NC(=S)[S-] MCULE-2711989552 [0,1,0,0,0,0|2,0,1]=4 352 B7R0.9 CS(=O)(=O)CC(=N)N MCULE-4168161900 [0,1,0,0,0,0|3,0,0]=4 353 B7R0.9 CS(=O)(=O)CC(=N)N MCULE-9361065749 [0,1,0,0,0,0|3,0,0]=4 354 B7R0.9 CS(=O)(=O)CC(=O)N MCULE-1619614870 [0,1,0,0,0,0|2,1,0]=4 355 B7R0.9 CS(=O)(=O)CC(=S)N MCULE-5575019317 [0,1,0,0,0,0|2,0,0]=3 356 B7R0.9 CS(=O)(=O)NC(=O)N MCULE-7868605068 [0,1,0,0,0,0|1,1,0]=3 357 B7R0.16 C=C(C)C(C)C(=O)C MCULE-2480790812 [0,1,0,0,0,0|3,0,0]=4 358 B7R0.16 CC(=O)C(=C(C)[O-])C MCULE-1358390281 [0,1,0,0,0,0|2,1,0]=4 359 B7R0.16 CC(=O)C(=C(C)[O-])C MCULE-6098819264 [0,1,0,0,0,0|2,1,0]=4 360 B7R0.16 CC(=O)C(Br)C(=O)C MCULE-2980550700 [0,1,0,0,0,0|2,1,0]=4 361 B7R0.16 CC(=O)C(C)C(=O)C MCULE-9607259412 [0,1,0,0,0,0|2,1,0]=4 362 B7R0.16 CC(=O)C(Cl)C(=O)C MCULE-4716617423 [0,1,0,0,0,0|2,1,0]=4 363 B7R0.16 CC(=O)C(F)C(=O)C MCULE-4665621902 [0,1,0,0,0,0|2,1,0]=4 364 B7R0.16 CC(=O)C(N)C(=O)C MCULE-6440496769 [0,1,0,0,0,0|2,1,0]=4 365 B7R0.16 CC(=O)C(N)C(=O)C MCULE-8525737264 [0,1,0,0,0,0|2,1,0]=4 366 B7R0.16 CC(=O)N(C)C(=O)C MCULE-6245493539 [0,1,0,0,0,0|1,1,0]=3 367 B7R0.16 CC(C(=O)N)C(=O)N MCULE-4912037399 [0,1,0,0,0,0|2,1,0]=4 368 B7R0.16 CN(C(=O)Cl)C(=O)Cl MCULE-8169088410 [0,1,0,0,0,0|2,1,0]=4 369 B7R0.16 NC(=O)C(Br)C(=O)N MCULE-7519162871 [0,1,0,0,0,0|2,1,0]=4 370 B7R0.16 NC(=O)C(N)C(=O)N MCULE-5338329205 [0,1,0,0,0,0|2,1,0]=4 371 B7R1.2 C=C1CCC(=O)O1 MCULE-2485348963 [0,0,0,1,0,0|3,0,0]=4 372 B7R1.2 C=C1CNC(=S)S1 MCULE-5840114105 [0,0,0,1,0,0|2,0,0]=3 373 B7R1.2 CC1=CC(=CS1)N MCULE-4677626148 [0,0,0,1,0,0|2,1,0]=4 374 B7R1.2 CC1=CC(=CS1)N MCULE-4954759044 [0,0,0,1,0,0|2,1,0]=4 375 B7R1.2 CC1=CC(=NN1)C MCULE-4873265902 [0,0,0,1,0,0|3,0,0]=4 376 B7R1.2 CC1=CC(=NN1)C MCULE-8100496522 [0,0,0,1,0,0|3,0,0]=4 377 B7R1.2 CC1=CC(=NO1)N MCULE-4538523254 [0,0,0,1,0,0|2,0,1]=4 378 B7R1.2 CC1=CC(=NS1)N MCULE-2006841208 [0,0,0,1,0,0|2,1,0]=4 379 B7R1.2 CC1=CC(=NS1)N MCULE-5644544748 [0,0,0,1,0,0|2,1,0]=4 380 B7R1.2 CC1=CC(=O)CC1 MCULE-5496838191 [0,0,0,1,0,0|3,0,0]=4 381 B7R1.2 CC1=CC(=O)CO1 MCULE-6570401610 [0,0,0,1,0,0|2,1,0]=4 382 B7R1.2 CC1=CC(=O)NO1 MCULE-4569959155 [0,0,0,1,0,0|1,1,1]=4 383 B7R1.2 CC1=CC=C(N1)C MCULE-2630115640 [0,0,0,1,0,0|3,0,0]=4 384 B7R1.2 CC1=CC=C(N1)Cl MCULE-6650692655 [0,0,0,1,0,0|3,0,0]=4 385 B7R1.2 CC1=CC=C(O1)N MCULE-5583871788 [0,0,0,1,0,0|3,0,0]=4 386 B7R1.2 CC1=CC=C(S1)N MCULE-1672887913 [0,0,0,1,0,0|3,0,0]=4 387 B7R1.2 CC1=CC=C(S1)N MCULE-4947745341 [0,0,0,1,0,0|3,0,0]=4 388 B7R1.2 CC1=CCC(=O)O1 MCULE-5954539189 [0,0,0,1,0,0|3,0,0]=4 389 B7R1.2 CC1=CCC(=O)O1 MCULE-7236091694 [0,0,0,1,0,0|3,0,0]=4 390 B7R1.2 CC1=CCC(=O)S1 MCULE-5812502919 [0,0,0,1,0,0|3,0,0]=4 391 B7R1.2 CC1=CN=C(N1)N MCULE-5849111364 [0,0,0,1,0,0|2,0,0]=3 392 B7R1.2 CC1=CN=C(N1)N MCULE-9885122590 [0,0,0,1,0,0|2,0,0]=3 393 B7R1.2 CC1=CN=C(O1)N MCULE-5846833894 [0,0,0,1,0,0|3,0,0]=4 394 B7R1.2 CC1=CN=C(S1)N MCULE-5408259983 [0,0,0,1,0,0|3,0,0]=4 395 B7R1.2 CC1=CN=C(S1)N MCULE-8973432865 [0,0,0,1,0,0|3,0,0]=4 396 B7R1.2 CC1=CNC(=C1)C MCULE-6480137920 [0,0,0,1,0,0|3,0,0]=4 397 B7R1.2 CC1=CNC(=N1)Br MCULE-2148866894 [0,0,0,1,0,0|2,0,1]=4 398 B7R1.2 CC1=CNC(=N1)C MCULE-1883967566 [0,0,0,1,0,0|2,0,1]=4 399 B7R1.2 CC1=CNC(=N1)I MCULE-7172464469 [0,0,0,1,0,0|2,0,1]=4 400 B7R1.2 CC1=CNC(=N1)N MCULE-2945170552 [0,0,0,1,0,0|2,0,1]=4 401 B7R1.2 CC1=CNC(=N1)S MCULE-1670645296 [0,0,0,1,0,0|1,0,2]=4 402 B7R1.2 CC1=CNC(=O)N1 MCULE-7571832495 [0,0,0,1,0,0|1,1,0]=3 403 B7R1.2 CC1=COC(=N)N1 MCULE-2875662146 [0,0,0,1,0,0|1,1,1]=4 404 B7R1.2 CC1=CSC(=C1)N MCULE-6517545234 [0,0,0,1,0,0|2,0,1]=4 405 B7R1.2 CC1=CSC(=C1)N MCULE-8640058932 [0,0,0,1,0,0|2,0,1]=4 406 B7R1.2 CC1=CSC(=N1)N MCULE-3421653397 [0,0,0,1,0,0|1,0,2]=4 407 B7R1.2 CC1=CSC(=N1)N MCULE-6034667920 [0,0,0,1,0,0|1,0,2]=4 408 B7R1.2 CC1=CSC(=O)N1 MCULE-6083480700 [0,0,0,1,0,0|2,0,1]=4 409 B7R1.2 CC1=NC(=CS1)N MCULE-3086911944 [0,0,0,1,0,0|1,1,1]=4 410 B7R1.2 CC1=NC(=CS1)N MCULE-4543325094 [0,0,0,1,0,0|1,1,1]=4 411 B7R1.2 CC1=NC(=NO1)N MCULE-8189524601 [0,0,0,1,0,0|1,0,2]=4 412 B7R1.2 CC1=NC(=NS1)N MCULE-3543160039 [0,0,0,1,0,0|1,1,1]=4 413 B7R1.2 CC1=NC(=O)NN1 MCULE-7112378155 [0,0,0,1,0,0|1,1,1]=4 414 B7R1.2 CC1=NC=C(O1)N MCULE-9670426348 [0,0,0,1,0,0|3,0,0]=4 415 B7R1.2 CC1=NC=C(S1)N MCULE-2117348978 [0,0,0,1,0,0|3,0,0]=4 416 B7R1.2 CC1=NC=C(S1)N MCULE-3448900159 [0,0,0,1,0,0|3,0,0]=4 417 B7R1.2 CC1=NN=C(C1)N MCULE-4185535753 [0,0,0,1,0,0|3,0,0]=4 418 B7R1.2 CC1=NN=C(N1)N MCULE-5689037308 [0,0,0,1,0,0|2,0,0]=3 419 B7R1.2 CC1=NN=C(N1)S MCULE-6116140119 [0,0,0,1,0,0|1,0,2]=4 420 B7R1.2 CC1=NN=C(O1)N MCULE-4286573489 [0,0,0,1,0,0|3,0,0]=4 421 B7R1.2 CC1=NN=C(S1)N MCULE-5420643525 [0,0,0,1,0,0|3,0,0]=4 422 B7R1.2 CC1=NNC(=C1)Cl MCULE-9047691966 [0,0,0,1,0,0|3,0,0]=4 423 B7R1.2 CC1=NNC(=C1)I MCULE-7626013113 [0,0,0,1,0,0|3,0,0]=4 424 B7R1.2 CC1=NNC(=C1)N MCULE-5982415678 [0,0,0,1,0,0|3,0,0]=4 425 B7R1.2 CC1=NNC(=C1)N MCULE-8265446300 [0,0,0,1,0,0|3,0,0]=4 426 B7R1.2 CC1=NNC(=C1)N MCULE-8755398394 [0,0,0,1,0,0|3,0,0]=4 427 B7R1.2 CC1=NNC(=C1)O MCULE-6802545425 [0,0,0,1,0,0|2,1,0]=4 428 B7R1.2 CC1=NNC(=N1)C MCULE-6761346776 [0,0,0,1,0,0|2,0,1]=4 429 B7R1.2 CC1=NNC(=N1)Cl MCULE-4793191292 [0,0,0,1,0,0|2,0,1]=4 430 B7R1.2 CC1=NNC(=N1)N MCULE-9479901379 [0,0,0,1,0,0|2,0,1]=4 431 B7R1.2 CC1=NNC(=N1)[NH3+] MCULE-1408338056 [0,0,0,1,0,0|2,0,1]=4 432 B7R1.2 CC1=NNC(=O)C1 MCULE-2406140611 [0,0,0,1,0,0|2,1,0]=4 433 B7R1.2 CC1=NNC(=S)O1 MCULE-1357179698 [0,0,0,1,0,0|2,0,0]=3 434 B7R1.2 CC1=NOC(=C1)N MCULE-2719601999 [0,0,0,1,0,0|2,1,0]=4 435 B7R1.2 CC1=NOC(=N1)N MCULE-7788127715 [0,0,0,1,0,0|1,1,1]=4 436 B7R1.2 CC1=NSC(=C1)N MCULE-1333657417 [0,0,0,1,0,0|2,0,1]=4 437 B7R1.2 CC1=NSC(=C1)N MCULE-4917388600 [0,0,0,1,0,0|2,0,1]=4 438 B7R1.2 CC1=NSC(=C1)N MCULE-8270730297 [0,0,0,1,0,0|2,0,1]=4 439 B7R1.2 CC1=NSC(=N1)N MCULE-1116233819 [0,0,0,1,0,0|1,0,2]=4 440 B7R1.2 CC1=NSC(=N1)N MCULE-9350984385 [0,0,0,1,0,0|1,0,2]=4 441 B7R1.2 CC1CCC(=O)N1 MCULE-8928464449 [0,0,0,1,0,0|2,0,1]=4 442 B7R1.2 CC1CCC(=O)N1 MCULE-9236321365 [0,0,0,1,0,0|2,0,1]=4 443 B7R1.2 CC1CNC(=O)N1 MCULE-3789430210 [0,0,0,1,0,0|1,1,1]=4 444 B7R1.2 CC1CNC(=S)N1 MCULE-5305006156 [0,0,0,1,0,0|1,0,1]=3 445 B7R1.2 CC1CNC(=S)S1 MCULE-1131079445 [0,0,0,1,0,0|2,0,1]=4 446 B7R1.2 CC1COC(=S)N1 MCULE-4793665300 [0,0,0,1,0,0|2,0,1]=4 447 B7R1.2 CC1CSC(=S)N1 MCULE-9334196132 [0,0,0,1,0,0|2,0,1]=4 448 B7R1.2 CC1NCC(=O)N1 MCULE-9790180398 [0,0,0,1,0,0|1,0,1]=3 449 B7R1.2 C[C@@H]1CC(=O)CN1 MCULE-1621276410 [0,0,0,1,0,0|2,0,1]=4 450 B7R1.2 C[C@@H]1CC(=O)CN1 MCULE-8721208019 [0,0,0,1,0,0|2,0,1]=4 451 B7R1.2 C[C@@H]1CCC(=O)N1 MCULE-2915942259 [0,0,0,1,0,0|2,0,1]=4 452 B7R1.2 C[C@@H]1CCC(=O)N1 MCULE-8123247569 [0,0,0,1,0,0|2,0,1]=4 453 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-3272300487 [0,0,0,1,0,0|2,0,1]=4 454 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-4583858198 [0,0,0,1,0,0|2,0,1]=4 455 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-5135895304 [0,0,0,1,0,0|2,0,1]=4 456 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-6058896534 [0,0,0,1,0,0|2,0,1]=4 457 B7R1.2 C[C@H]1CCC(=O)N1 MCULE-2618122031 [0,0,0,1,0,0|2,0,1]=4 458 B7R1.2 C[C@H]1CCC(=O)N1 MCULE-6630066118 [0,0,0,1,0,0|2,0,1]=4 459 B7R1.2 C[C@H]1CSC(=S)N1 MCULE-6690407523 [0,0,0,1,0,0|2,0,1]=4 460 B7R1.2 N=C1CSC(=N1)N MCULE-1758228599 [0,0,0,1,0,0|1,0,2]=4 461 B7R1.2 N=C1CSC(=N1)N MCULE-8821439430 [0,0,0,1,0,0|1,0,2]=4 462 B7R1.2 N=C1CSC(=O)N1 MCULE-9647262906 [0,0,0,1,0,0|2,0,1]=4 463 B7R1.2 N=C1NC(=O)SS1 MCULE-7339465409 [0,0,0,1,0,0|1,0,2]=4 464 B7R1.2 NC1=CC(=O)CC1 MCULE-9465243079 [0,0,0,1,0,0|2,0,0]=3 465 B7R1.2 NC1=CC(=O)CS1 MCULE-9118810823 [0,0,0,1,0,0|1,0,1]=3 466 B7R1.2 NC1=CC(=O)NN1 MCULE-6721529473 [0,0,0,1,0,0|3,0,0]=4 467 B7R1.2 NC1=NC(=O)C=N1 MCULE-2020007120 [0,0,0,1,0,0|1,0,2]=4 468 B7R1.2 NC1=NC(=O)C=N1 MCULE-3303233815 [0,0,0,1,0,0|1,0,2]=4 469 B7R1.2 NC1=NC(=O)CO1 MCULE-5739646901 [0,0,0,1,0,0|0,1,1]=3 470 B7R1.2 NC1=NC(=O)CS1 MCULE-1329225872 [0,0,0,1,0,0|0,0,2]=3 471 B7R1.2 NC1=NC(=O)CS1 MCULE-6008399337 [0,0,0,1,0,0|0,0,2]=3 472 B7R1.2 NC1=NCC(=O)N1 MCULE-7816305365 [0,0,0,1,0,0|1,0,0]=2 473 B7R1.2 NC1=NCC(=O)N1 MCULE-9546104284 [0,0,0,1,0,0|1,0,0]=2 474 B7R1.2 NC1=NCC(=O)S1 MCULE-1885235061 [0,0,0,1,0,0|2,0,0]=3 475 B7R1.2 NC1=NN=C(N1)N MCULE-3092785488 [0,0,0,1,0,0|3,0,0]=4 476 B7R1.2 NC1=NNC(=O)C1 MCULE-1000997494 [0,0,0,1,0,0|3,0,0]=4 477 B7R1.2 NC1=NNC(=O)N1 MCULE-9633941721 [0,0,0,1,0,0|2,0,0]=3 478 B7R1.2 NC1CCC(=O)C1 MCULE-5102535286 [0,0,0,1,0,0|2,0,1]=4 479 B7R1.2 NC1CCC(=O)C1 MCULE-7722818264 [0,0,0,1,0,0|2,0,1]=4 480 B7R1.2 NC1CCC(=O)N1 MCULE-1843033026 [0,0,0,1,0,0|1,0,1]=3 481 B7R1.2 NC1CCC(=O)N1 MCULE-7671057220 [0,0,0,1,0,0|1,0,1]=3 482 B7R1.2 NC1NC(=O)CS1 MCULE-5789159592 [0,0,0,1,0,0|0,0,2]=3 483 B7R1.2 O=C1C=C(CC1)Br MCULE-8421005141 [0,0,0,1,0,0|3,0,0]=4 484 B7R1.2 O=C1C=C(CC1)Cl MCULE-4481059890 [0,0,0,1,0,0|3,0,0]=4 485 B7R1.2 O=C1C=C(CC1)I MCULE-9887353763 [0,0,0,1,0,0|3,0,0]=4 486 B7R1.2 O=C1C=C(CC1)O MCULE-4815747510 [0,0,0,1,0,0|2,1,0]=4 487 B7R1.2 O=C1C=C(CN1)Br MCULE-7250904402 [0,0,0,1,0,0|2,1,0]=4 488 B7R1.2 O=C1C=C(CN1)O MCULE-4305405716 [0,0,0,1,0,0|1,1,1]=4 489 B7R1.2 O=C1C=CC(=O)N1 MCULE-3677915339 [0,0,0,1,0,0|1,1,1]=4 490 B7R1.2 O=C1CC(=O)NN1 MCULE-4591056937 [0,0,0,1,0,0|2,1,0]=4 491 B7R1.2 O=C1CCC(=O)C1 MCULE-6436831689 [0,0,0,1,0,0|2,1,0]=4 492 B7R1.2 O=C1CCC(=O)N1 MCULE-8278049979 [0,0,0,1,0,0|1,1,0]=3 493 B7R1.2 O=C1CCC(=O)O1 MCULE-1458819618 [0,0,0,1,0,0|2,1,0]=4 494 B7R1.2 O=C1CCC(N1)O MCULE-1790956080 [0,0,0,1,0,0|1,1,1]=4 495 B7R1.2 O=C1CNC(=O)C1 MCULE-6981924013 [0,0,0,1,0,0|1,1,0]=3 496 B7R1.2 O=C1CNC(=O)N1 MCULE-6812812243 [0,0,0,1,0,0|0,1,0]=2 497 B7R1.2 O=C1CNC(=O)O1 MCULE-7702120642 [0,0,0,1,0,0|1,1,0]=3 498 B7R1.2 O=C1CNC(=O)S1 MCULE-5050685903 [0,0,0,1,0,0|1,1,0]=3 499 B7R1.2 O=C1CNC(=S)N1 MCULE-3766479597 [0,0,0,1,0,0|0,0,0]=1 500 B7R1.2 O=C1CNC(=S)S1 MCULE-4359186239 [0,0,0,1,0,0|1,0,0]=2 501 B7R1.2 O=C1CNC(S1)S MCULE-9237115672 [0,0,0,1,0,0|1,0,2]=4 502 B7R1.2 O=C1COC(=O)C1 MCULE-3258090872 [0,0,0,1,0,0|2,1,0]=4 503 B7R1.2 O=C1COC(=O)N1 MCULE-3103815953 [0,0,0,1,0,0|1,1,0]=3 504 B7R1.2 O=C1COC(=O)[N-]1 MCULE-2786348217 [0,0,0,1,0,0|1,1,1]=4 505 B7R1.2 O=C1CSC(=O)N1 MCULE-8206580994 [0,0,0,1,0,0|1,0,1]=3 506 B7R1.2 O=C1CSC(=S)N1 MCULE-8840169234 [0,0,0,1,0,0|1,0,0]=2 507 B7R1.2 O=C1N=C(NN1)S MCULE-4550378114 [0,0,0,1,0,0|1,0,2]=4 508 B7R1.2 O=C1NC(=CS1)O MCULE-2237666080 [0,0,0,1,0,0|2,1,0]=4 509 B7R1.2 O=C1NC(=S)CS1 MCULE-8601205978 [0,0,0,1,0,0|2,0,0]=3 510 B7R1.2 O=C1NCC(=S)N1 MCULE-9753398150 [0,0,0,1,0,0|0,2,0]=3 511 B7R1.2 O=C1NN=C(N1)Br MCULE-1124720587 [0,0,0,1,0,0|2,0,1]=4 512 B7R1.2 O=C1NN=C(N1)Cl MCULE-5593292847 [0,0,0,1,0,0|2,0,1]=4 513 B7R1.2 O=C1NNC(=O)N1 MCULE-5611157961 [0,0,0,1,0,0|1,1,0]=3 514 B7R1.2 O=C1NOC(=O)N1 MCULE-5599103299 [0,0,0,1,0,0|1,1,0]=3 515 B7R1.2 S=C1CCC(=S)N1 MCULE-1793012495 [0,0,0,1,0,0|1,1,0]=3 516 B7R1.2 [O-]C1=CSC(=S)N1 MCULE-7540492613 [0,0,0,1,0,0|1,0,2]=4 517 B7R1.16 CC1(CC(=O)C1)N MCULE-1739432720 [0,0,0,1,0,0|2,0,1]=4 518 B7R1.16 CC1(CC(=O)C1)N MCULE-2529462721 [0,0,0,1,0,0|2,0,1]=4 519 B7R1.16 CC1(CC(=O)N1)C MCULE-5555898363 [0,0,0,1,0,0|2,0,1]=4 520 B7R1.20 CC(=O)NC1CC1 MCULE-7553641762 [0,0,0,1,0,0|2,0,1]=4 521 B7R1.20 N=C(N)NC1CC1 MCULE-6195253401 [0,0,0,1,0,0|2,0,1]=4 522 B7R1.20 N=C(N)NC1CC1 MCULE-7842873377 [0,0,0,1,0,0|2,0,1]=4 523 B7R1.20 N=C(N)NC1CC1 MCULE-9778544365 [0,0,0,1,0,0|2,0,1]=4 524 B7R1.20 NC(=O)NC1CC1 MCULE-4338833542 [0,0,0,1,0,0|1,1,1]=4 525 B7R1.20 NC(=S)CC1CC1 MCULE-3521862976 [0,0,0,1,0,0|2,0,1]=4 526 B7R1.20 NC(=S)NC1CC1 MCULE-1691696534 [0,0,0,1,0,0|1,0,1]=3 527 B5R0.5 C=C(Br)C(=O)O MCULE-2068246942 [0,0,0,0,1,0|3,0,0]=4 528 B5R0.5 C=C(C)C(=C)C MCULE-6799765242 [0,0,0,0,1,0|3,0,0]=4 529 B5R0.5 C=C(C)C(=O)C MCULE-5872425076 [0,0,0,0,1,0|2,0,0]=3 530 B5R0.5 C=C(C)C(=O)Cl MCULE-9163474336 [0,0,0,0,1,0|2,1,0]=4 531 B5R0.5 C=C(C)C(=O)N MCULE-3416322097 [0,0,0,0,1,0|1,1,0]=3 532 B5R0.5 C=C(C)C(=O)O MCULE-9899621926 [0,0,0,0,1,0|2,1,0]=4 533 B5R0.5 C=C(C)C(=O)[O-] MCULE-5299174444 [0,0,0,0,1,0|2,1,0]=4 534 B5R0.5 C=C(C)C(=O)[O-] MCULE-7320418926 [0,0,0,0,1,0|2,1,0]=4 535 B5R0.5 C=C(C)C(=O)[O-] MCULE-7347881815 [0,0,0,0,1,0|2,1,0]=4 536 B5R0.5 C=C(Cl)C(=O)O MCULE-8316225208 [0,0,0,0,1,0|3,0,0]=4 537 B5R0.5 C=C(F)C(=O)Cl MCULE-6769824615 [0,0,0,0,1,0|3,0,0]=4 538 B5R0.5 C=C(F)C(=O)O MCULE-7137929861 [0,0,0,0,1,0|3,0,0]=4 539 B5R0.5 C=C(F)C(=O)[O-] MCULE-1806853701 [0,0,0,0,1,0|3,0,0]=4 540 B5R0.5 CC(=C(C)Br)C MCULE-2244219065 [0,0,0,0,1,0|3,0,0]=4 541 B5R0.5 CC(=C(C)C)C MCULE-2888318026 [0,0,0,0,1,0|3,0,0]=4 542 B5R0.5 CC(=O)C(=O)C MCULE-5742661187 [0,0,0,0,1,0|1,1,0]=3 543 B5R0.5 CC(=O)C(=O)Cl MCULE-3413498860 [0,0,0,0,1,0|1,1,0]=3 544 B5R0.5 CC(=O)C(=O)N MCULE-6804734996 [0,0,0,0,1,0|0,1,0]=2 545 B5R0.5 CC(=O)C(=O)O MCULE-8587144313 [0,0,0,0,1,0|1,1,0]=3 546 B5R0.5 CC(=O)C(=O)[O-] MCULE-2773521709 [0,0,0,0,1,0|1,1,0]=3 547 B5R0.5 CC(=O)C(=O)[O-] MCULE-7007482346 [0,0,0,0,1,0|1,1,0]=3 548 B5R0.5 CC(=O)C(=O)[O-] MCULE-8344520452 [0,0,0,0,1,0|1,1,0]=3 549 B5R0.5 CC(=O)C(=S)N MCULE-3142518834 [0,0,0,0,1,0|0,0,0]=1 550 B5R0.5 CC(=O)C(C)Br MCULE-3764525199 [0,0,0,0,1,0|2,0,1]=4 551 B5R0.5 CC(=O)C(C)C MCULE-5982732938 [0,0,0,0,1,0|2,0,1]=4 552 B5R0.5 CC(=O)C(C)Cl MCULE-5065840606 [0,0,0,0,1,0|2,0,1]=4 553 B5R0.5 CC(=O)C(C)F MCULE-2129925918 [0,0,0,0,1,0|2,0,1]=4 554 B5R0.5 CC(=O)C(C)N MCULE-5716124999 [0,0,0,0,1,0|1,0,1]=3 555 B5R0.5 CC(=O)C(C)N MCULE-9248002534 [0,0,0,0,1,0|1,0,1]=3 556 B5R0.5 CC(=O)C(C)O MCULE-5374414264 [0,0,0,0,1,0|1,1,1]=4 557 B5R0.5 CC(=O)C(C)S MCULE-2716722148 [0,0,0,0,1,0|1,0,2]=4 558 B5R0.5 CC(=O)C(Cl)Cl MCULE-9043899746 [0,0,0,0,1,0|2,0,1]=4 559 B5R0.5 CC(=O)C(F)F MCULE-9206168077 [0,0,0,0,1,0|2,0,1]=4 560 B5R0.5 CC(=O)N(C)C MCULE-4256511309 [0,0,0,0,1,0|3,0,0]=4 561 B5R0.5 CC(=O)N(C)N MCULE-2447375293 [0,0,0,0,1,0|2,0,0]=3 562 B5R0.5 CC(=O)[C@H](C)N MCULE-2609095078 [0,0,0,0,1,0|1,0,1]=3 563 B5R0.5 CC(=O)[C@H](C)N MCULE-6039921944 [0,0,0,0,1,0|1,0,1]=3 564 B5R0.5 CC(=O)[C@H](C)N MCULE-6387613992 [0,0,0,0,1,0|1,0,1]=3 565 B5R0.5 CC(=O)[C@H](C)N MCULE-7052375323 [0,0,0,0,1,0|1,0,1]=3 566 B5R0.5 CC(=S)N(C)C MCULE-6797990305 [0,0,0,0,1,0|3,0,0]=4 567 B5R0.5 CC(Br)C(=O)N MCULE-9226586148 [0,0,0,0,1,0|1,1,1]=4 568 B5R0.5 CC(C)C(=N)N MCULE-2464075086 [0,0,0,0,1,0|2,0,1]=4 569 B5R0.5 CC(C)C(=N)N MCULE-6743996580 [0,0,0,0,1,0|2,0,1]=4 570 B5R0.5 CC(C)C(=O)N MCULE-9773835068 [0,0,0,0,1,0|1,1,1]=4 571 B5R0.5 CC(C)C(=S)N MCULE-3546856315 [0,0,0,0,1,0|1,0,1]=3 572 B5R0.5 CC(Cl)C(=N)N MCULE-2357555185 [0,0,0,0,1,0|2,0,1]=4 573 B5R0.5 CC(Cl)C(=N)N MCULE-5302250002 [0,0,0,0,1,0|2,0,1]=4 574 B5R0.5 CC(Cl)C(=O)N MCULE-5322078211 [0,0,0,0,1,0|1,1,1]=4 575 B5R0.5 CC(I)C(=O)N MCULE-8608495554 [0,0,0,0,1,0|1,1,1]=4 576 B5R0.5 CC(N)C(=O)N MCULE-1264398810 [0,0,0,0,1,0|1,1,1]=4 577 B5R0.5 CC(N)C(=O)N MCULE-2251123672 [0,0,0,0,1,0|1,1,1]=4 578 B5R0.5 CC(N)C(=O)N MCULE-2273926073 [0,0,0,0,1,0|1,1,1]=4 579 B5R0.5 CC(N)C(=O)N MCULE-5340923071 [0,0,0,0,1,0|1,1,1]=4 580 B5R0.5 CC(N)C(=O)N MCULE-6061233032 [0,0,0,0,1,0|1,1,1]=4 581 B5R0.5 CC(N)C(=O)N MCULE-9273221837 [0,0,0,0,1,0|1,1,1]=4 582 B5R0.5 CC(N)C(=O)O MCULE-3498369789 [0,0,0,0,1,0|2,0,1]=4 583 B5R0.5 CC(N)C(=O)O MCULE-3809839392 [0,0,0,0,1,0|2,0,1]=4 584 B5R0.5 CC(N)C(=O)O MCULE-4751903561 [0,0,0,0,1,0|2,0,1]=4 585 B5R0.5 CC(N)C(=O)O MCULE-6963397848 [0,0,0,0,1,0|2,0,1]=4 586 B5R0.5 CC(O)C(=N)N MCULE-4358846536 [0,0,0,0,1,0|1,0,2]=4 587 B5R0.5 CC(O)C(=N)N MCULE-5644516205 [0,0,0,0,1,0|1,0,2]=4 588 B5R0.5 CC(O)C(=O)N MCULE-6247123668 [0,0,0,0,1,0|0,1,2]=4 589 B5R0.5 CC(O)C(=O)N MCULE-7823792358 [0,0,0,0,1,0|0,1,2]=4 590 B5R0.5 CC(S)C(=O)N MCULE-1465182001 [0,0,0,0,1,0|0,2,1]=4 591 B5R0.5 CN(C)C(=N)N MCULE-6863213372 [0,0,0,0,1,0|3,0,0]=4 592 B5R0.5 CN(C)C(=N)N MCULE-7950775799 [0,0,0,0,1,0|3,0,0]=4 593 B5R0.5 CN(C)C(=N)N MCULE-8265374681 [0,0,0,0,1,0|3,0,0]=4 594 B5R0.5 CN(C)C(=N)N MCULE-9153833571 [0,0,0,0,1,0|3,0,0]=4 595 B5R0.5 CN(C)C(=O)N MCULE-3142720631 [0,0,0,0,1,0|2,1,0]=4 596 B5R0.5 CN(C)C(=S)Cl MCULE-5232126468 [0,0,0,0,1,0|3,0,0]=4 597 B5R0.5 CN(C)C(=S)N MCULE-6937388954 [0,0,0,0,1,0|2,0,0]=3 598 B5R0.5 CN(C)C(=S)S MCULE-4296425055 [0,0,0,0,1,0|3,0,0]=4 599 B5R0.5 CN(C)C(=S)S MCULE-5159570847 [0,0,0,0,1,0|3,0,0]=4 600 B5R0.5 CN(C)C(=S)[S-] MCULE-6390941151 [0,0,0,0,1,0|3,0,0]=4 601 B5R0.5 CN(C)C(=S)[S-] MCULE-7709633048 [0,0,0,0,1,0|3,0,0]=4 602 B5R0.5 CN(N)C(=O)N MCULE-9114734246 [0,0,0,0,1,0|2,1,0]=4 603 B5R0.5 CN(N)C(=S)N MCULE-8674598291 [0,0,0,0,1,0|2,0,0]=3 604 B5R0.5 C[C@@H](F)C(=O)N MCULE-1505685009 [0,0,0,0,1,0|1,1,1]=4 605 B5R0.5 C[C@@H](N)C(=O)N MCULE-4677983549 [0,0,0,0,1,0|1,1,1]=4 606 B5R0.5 C[C@@H](N)C(=O)N MCULE-6112443507 [0,0,0,0,1,0|1,1,1]=4 607 B5R0.5 C[C@@H](N)C(=O)N MCULE-7940270709 [0,0,0,0,1,0|1,1,1]=4 608 B5R0.5 C[C@@H](N)C(=O)N MCULE-8482332558 [0,0,0,0,1,0|1,1,1]=4 609 B5R0.5 C[C@@H](N)C(=O)O MCULE-3571488623 [0,0,0,0,1,0|2,0,1]=4 610 B5R0.5 C[C@@H](N)C(=O)O MCULE-9756365751 [0,0,0,0,1,0|2,0,1]=4 611 B5R0.5 C[C@@H](O)C(=N)N MCULE-1498978023 [0,0,0,0,1,0|1,0,2]=4 612 B5R0.5 C[C@@H](O)C(=N)N MCULE-6124491136 [0,0,0,0,1,0|1,0,2]=4 613 B5R0.5 C[C@@H](O)C(=N)N MCULE-7410387081 [0,0,0,0,1,0|1,0,2]=4 614 B5R0.5 C[C@@H](O)C(=N)N MCULE-9566288141 [0,0,0,0,1,0|1,0,2]=4 615 B5R0.5 C[C@@H](O)C(=O)N MCULE-2026557726 [0,0,0,0,1,0|0,1,2]=4 616 B5R0.5 C[C@@H](O)C(=O)N MCULE-8056291801 [0,0,0,0,1,0|0,1,2]=4 617 B5R0.5 C[C@H](F)C(=O)N MCULE-7457242428 [0,0,0,0,1,0|1,1,1]=4 618 B5R0.5 C[C@H](N)C(=O)N MCULE-4716963408 [0,0,0,0,1,0|1,1,1]=4 619 B5R0.5 C[C@H](N)C(=O)N MCULE-6879702251 [0,0,0,0,1,0|1,1,1]=4 620 B5R0.5 C[C@H](N)C(=O)N MCULE-7090555441 [0,0,0,0,1,0|1,1,1]=4 621 B5R0.5 C[C@H](N)C(=O)N MCULE-7293369315 [0,0,0,0,1,0|1,1,1]=4 622 B5R0.5 C[C@H](N)C(=O)N MCULE-7341432132 [0,0,0,0,1,0|1,1,1]=4 623 B5R0.5 C[C@H](N)C(=O)N MCULE-7556063213 [0,0,0,0,1,0|1,1,1]=4 624 B5R0.5 C[C@H](N)C(=O)N MCULE-8320991932 [0,0,0,0,1,0|1,1,1]=4 625 B5R0.5 C[C@H](N)C(=O)N MCULE-8491573930 [0,0,0,0,1,0|1,1,1]=4 626 B5R0.5 C[C@H](N)C(=O)O MCULE-4916719758 [0,0,0,0,1,0|2,0,1]=4 627 B5R0.5 C[C@H](N)C(=O)O MCULE-5261590548 [0,0,0,0,1,0|2,0,1]=4 628 B5R0.5 C[C@H](N)C(=O)O MCULE-7791919887 [0,0,0,0,1,0|2,0,1]=4 629 B5R0.5 C[C@H](N)C(=O)O MCULE-8724854497 [0,0,0,0,1,0|2,0,1]=4 630 B5R0.5 C[C@H](O)C(=O)N MCULE-8400190365 [0,0,0,0,1,0|0,1,2]=4 631 B5R0.5 N=C(N)S(=O)O MCULE-7034022108 [0,0,0,0,1,0|3,0,0]=4 632 B5R0.5 NC(=O)C(=O)N MCULE-9024594322 [0,0,0,0,1,0|1,1,0]=3 633 B5R0.5 NC(=O)C(=O)O MCULE-4442165428 [0,0,0,0,1,0|1,1,0]=3 634 B5R0.5 NC(=O)C(=O)[O-] MCULE-6520154385 [0,0,0,0,1,0|1,1,0]=3 635 B5R0.5 NC(=O)C(=O)[O-] MCULE-9489956613 [0,0,0,0,1,0|1,1,0]=3 636 B5R0.5 NC(=S)C(=S)N MCULE-3109255800 [0,0,0,0,1,0|1,1,0]=3 637 B5R0.5 NC(=S)C(F)F MCULE-3511485569 [0,0,0,0,1,0|2,0,1]=4 638 B5R0.5 NC(O)C(=O)O MCULE-6546070388 [0,0,0,0,1,0|1,1,1]=4 639 B5R0.5 O=C(Br)C(=O)Br MCULE-6502494359 [0,0,0,0,1,0|2,1,0]=4 640 B5R0.5 O=C(Cl)C(=O)Cl MCULE-7263932124 [0,0,0,0,1,0|2,1,0]=4 641 B5R0.5 O=C(O)C(=O)O MCULE-2859436444 [0,0,0,0,1,0|2,1,0]=4 642 B5R0.5 O=C(O)C(=O)O MCULE-3054574273 [0,0,0,0,1,0|2,1,0]=4 643 B5R0.5 O=C(O)C(=O)O MCULE-4285591204 [0,0,0,0,1,0|2,1,0]=4 644 B5R0.5 O=C(O)C(=O)O MCULE-4461843798 [0,0,0,0,1,0|2,1,0]=4 645 B5R0.5 O=C(O)C(=O)O MCULE-6031758101 [0,0,0,0,1,0|2,1,0]=4 646 B5R0.5 O=C(O)C(=O)O MCULE-6647815245 [0,0,0,0,1,0|2,1,0]=4 647 B5R0.5 O=C(O)C(=O)O MCULE-7895971003 [0,0,0,0,1,0|2,1,0]=4 648 B5R0.5 O=C(O)C(=O)O MCULE-8046063377 [0,0,0,0,1,0|2,1,0]=4 649 B5R0.5 O=C(O)C(=O)O MCULE-8198551041 [0,0,0,0,1,0|2,1,0]=4 650 B5R0.5 O=C(O)C(=O)O MCULE-8472527874 [0,0,0,0,1,0|2,1,0]=4 651 B5R0.5 O=C(O)C(=O)O MCULE-9701145416 [0,0,0,0,1,0|2,1,0]=4 652 B5R0.5 O=C([O-])C(=O)[O-] MCULE-1850167183 [0,0,0,0,1,0|2,1,0]=4 653 B5R0.5 O=C([O-])C(=O)[O-] MCULE-2102182772 [0,0,0,0,1,0|2,1,0]=4 654 B5R0.5 O=C([O-])C(=O)[O-] MCULE-2594600365 [0,0,0,0,1,0|2,1,0]=4 655 B5R0.5 O=C([O-])C(=O)[O-] MCULE-2876490980 [0,0,0,0,1,0|2,1,0]=4 656 B5R0.5 O=C([O-])C(=O)[O-] MCULE-4875218588 [0,0,0,0,1,0|2,1,0]=4 657 B5R0.5 O=C([O-])C(=O)[O-] MCULE-6598296804 [0,0,0,0,1,0|2,1,0]=4 658 B5R0.5 O=C([O-])C(=O)[O-] MCULE-6729461006 [0,0,0,0,1,0|2,1,0]=4 659 B5R0.5 O=C([O-])C(=O)[O-] MCULE-7607695802 [0,0,0,0,1,0|2,1,0]=4 660 B5R0.5 [C@@H](C)(O)C(=O)N MCULE-6953360641 [0,0,0,0,1,0|0,1,2]=4 661 B7R0.6 C=C(Br)CNC(=O)C MCULE-4123179812 [0,0,0,0,0,1|2,0,0]=3 662 B7R0.6 C=C(C)CCC(=O)C MCULE-4201277876 [0,0,0,0,0,1|3,0,0]=4 663 B7R0.6 C=C(C)CCC(=O)N MCULE-7602727888 [0,0,0,0,0,1|2,1,0]=4 664 B7R0.6 C=C(C)CNC(=S)N MCULE-3514300945 [0,0,0,0,0,1|1,0,0]=2 665 B7R0.6 C=C(C)COC(=O)C MCULE-7739945243 [0,0,0,0,0,1|3,0,0]=4 666 B7R0.6 C=C(C)NCC(=O)O MCULE-6347105994 [0,0,0,0,0,1|2,1,0]=4 667 B7R0.6 C=C(Cl)CSC(=O)C MCULE-4264447992 [0,0,0,0,0,1|3,0,0]=4 668 B7R0.6 CC(=NNC(=O)N)C MCULE-9452330207 [0,0,0,0,0,1|1,1,0]=3 669 B7R0.6 CC(=NNC(=S)N)C MCULE-1116177945 [0,0,0,0,0,1|1,0,0]=2 670 B7R0.6 CC(=O)/C=C/C(=O)O MCULE-8768861026 [0,0,0,0,0,1|2,1,0]=4 671 B7R0.6 CC(=O)C=CC(=O)C MCULE-9472466140 [0,0,0,0,0,1|2,1,0]=4 672 B7R0.6 CC(=O)C=CC(=O)Cl MCULE-8865772819 [0,0,0,0,0,1|2,1,0]=4 673 B7R0.6 CC(=O)C=CC(=O)O MCULE-6867353277 [0,0,0,0,0,1|2,1,0]=4 674 B7R0.6 CC(=O)CCC(=O)C MCULE-3166810473 [0,0,0,0,0,1|2,1,0]=4 675 B7R0.6 CC(=O)CCC(=O)N MCULE-8943258659 [0,0,0,0,0,1|1,1,0]=3 676 B7R0.6 CC(=O)CCC(=O)O MCULE-1392778065 [0,0,0,0,0,1|2,1,0]=4 677 B7R0.6 CC(=O)CCC(=O)[O-] MCULE-4975344808 [0,0,0,0,0,1|2,1,0]=4 678 B7R0.6 CC(=O)CNC(=O)C MCULE-7941086302 [0,0,0,0,0,1|1,1,0]=3 679 B7R0.6 CC(=O)CNC(=O)Cl MCULE-2043888982 [0,0,0,0,0,1|1,1,0]=3 680 B7R0.6 CC(=O)CNC(C)C MCULE-2033555652 [0,0,0,0,0,1|2,0,1]=4 681 B7R0.6 CC(=O)CNC(C)C MCULE-2990661777 [0,0,0,0,0,1|2,0,1]=4 682 B7R0.6 CC(=O)COC(=O)C MCULE-2994552521 [0,0,0,0,0,1|2,1,0]=4 683 B7R0.6 CC(=O)NC=C(Cl)Cl MCULE-8744236684 [0,0,0,0,0,1|2,0,0]=3 684 B7R0.6 CC(=O)NCC(=O)Cl MCULE-3900899057 [0,0,0,0,0,1|1,1,0]=3 685 B7R0.6 CC(=O)NCC(=O)N MCULE-7934502236 [0,0,0,0,0,1|0,1,0]=2 686 B7R0.6 CC(=O)NCC(=O)O MCULE-5811325186 [0,0,0,0,0,1|1,1,0]=3 687 B7R0.6 CC(=O)NCC(C)O MCULE-2406798273 [0,0,0,0,0,1|1,1,1]=4 688 B7R0.6 CC(=O)NN=C(C)C MCULE-9759901228 [0,0,0,0,0,1|2,0,0]=3 689 B7R0.6 CC(=O)NNC(=O)C MCULE-3292268906 [0,0,0,0,0,1|1,1,0]=3 690 B7R0.6 CC(=O)NNC(=S)N MCULE-4923078693 [0,0,0,0,0,1|0,0,0]=1 691 B7R0.6 CC(=O)NNC(C)C MCULE-8896858149 [0,0,0,0,0,1|2,0,1]=4 692 B7R0.6 CC(=O)OCC(=O)Cl MCULE-3086938222 [0,0,0,0,0,1|2,1,0]=4 693 B7R0.6 CC(=O)OCC(=O)O MCULE-6837320824 [0,0,0,0,0,1|2,1,0]=4 694 B7R0.6 CC(=O)OCC(=S)N MCULE-7893306089 [0,0,0,0,0,1|1,0,0]=2 695 B7R0.6 CC(=O)ON=C(C)C MCULE-4373487613 [0,0,0,0,0,1|2,0,1]=4 696 B7R0.6 CC(=O)SCC(=O)O MCULE-1974657694 [0,0,0,0,0,1|2,1,0]=4 697 B7R0.6 CC(=S)NCC(=O)O MCULE-9052571833 [0,0,0,0,0,1|2,0,0]=3 698 B7R0.6 CC(C)CCC(=S)N MCULE-7175463316 [0,0,0,0,0,1|2,0,1]=4 699 B7R0.6 CC(C)CNC(=O)N MCULE-8112905719 [0,0,0,0,0,1|1,1,1]=4 700 B7R0.6 CC(C)CNC(=S)N MCULE-4099725026 [0,0,0,0,0,1|1,0,1]=3 701 B7R0.6 CC(C)NCC(=O)N MCULE-3100213662 [0,0,0,0,0,1|1,1,1]=4 702 B7R0.6 CC(C)NCC(=O)N MCULE-9178070179 [0,0,0,0,0,1|1,1,1]=4 703 B7R0.6 CC(C)OCC(=S)N MCULE-8843903229 [0,0,0,0,0,1|2,0,1]=4 704 B7R0.6 CN(C)/C=N/C(=S)N MCULE-6122717322 [0,0,0,0,0,1|2,0,1]=4 705 B7R0.6 CN(C)C=CC(=S)N MCULE-7137295535 [0,0,0,0,0,1|3,0,0]=4 706 B7R0.6 CN(C)C=NC(=S)N MCULE-5921630120 [0,0,0,0,0,1|2,0,1]=4 707 B7R0.6 N=C(N)NCC(=O)O MCULE-8180759180 [0,0,0,0,0,1|2,0,0]=3 708 B7R0.6 N=C(N)NCC(=O)O MCULE-8327589872 [0,0,0,0,0,1|2,0,0]=3 709 B7R0.6 N=C(N)NNC(=S)N MCULE-8703603199 [0,0,0,0,0,1|2,0,0]=3 710 B7R0.6 N=C(N)SCC(=O)N MCULE-5295318661 [0,0,0,0,0,1|3,0,0]=4 711 B7R0.6 N=C(N)SCC(=O)N MCULE-9179434239 [0,0,0,0,0,1|3,0,0]=4 712 B7R0.6 N=C(N)SCC(=O)O MCULE-2089510220 [0,0,0,0,0,1|3,0,0]=4 713 B7R0.6 N=C(N)SCC(=O)O MCULE-3427937751 [0,0,0,0,0,1|3,0,0]=4 714 B7R0.6 NC(=O)/C=C/C(=O)N MCULE-4395066945 [0,0,0,0,0,1|2,1,0]=4 715 B7R0.6 NC(=O)/C=C/C(=O)O MCULE-4042951919 [0,0,0,0,0,1|2,1,0]=4 716 B7R0.6 NC(=O)/C=C\C(=O)O MCULE-9066996879 [0,0,0,0,0,1|2,1,0]=4 717 B7R0.6 NC(=O)/N=N/C(=O)N MCULE-4339161906 [0,0,0,0,0,1|1,1,1]=4 718 B7R0.6 NC(=O)C#CC(=O)N MCULE-4585775503 [0,0,0,0,0,1|2,1,0]=4 719 B7R0.6 NC(=O)C=CC(=O)N MCULE-6392282813 [0,0,0,0,0,1|2,1,0]=4 720 B7R0.6 NC(=O)C=CC(=O)O MCULE-2401877342 [0,0,0,0,0,1|2,1,0]=4 721 B7R0.6 NC(=O)CCC(=O)N MCULE-2107382817 [0,0,0,0,0,1|2,1,0]=4 722 B7R0.6 NC(=O)CCC(=O)O MCULE-5813999826 [0,0,0,0,0,1|2,1,0]=4 723 B7R0.6 NC(=O)CNC(=S)N MCULE-6504333241 [0,0,0,0,0,1|1,0,0]=2 724 B7R0.6 NC(=O)N=NC(=O)N MCULE-2129487615 [0,0,0,0,0,1|1,1,1]=4 725 B7R0.6 NC(=O)NCC(=O)O MCULE-7640310218 [0,0,0,0,0,1|1,1,0]=3 726 B7R0.6 NC(=O)NNC(=O)N MCULE-1306740070 [0,0,0,0,0,1|1,1,0]=3 727 B7R0.6 NC(=O)NNC(=S)N MCULE-4551414784 [0,0,0,0,0,1|1,0,0]=2 728 B7R0.6 NC(=O)SCC(=O)O MCULE-2409074226 [0,0,0,0,0,1|2,1,0]=4 729 B7R0.6 NC(=S)NCC(=O)O MCULE-7421473219 [0,0,0,0,0,1|1,0,0]=2 730 B7R0.6 NC(=S)NCC(F)F MCULE-8527119474 [0,0,0,0,0,1|2,0,1]=4 731 B7R0.6 NC(=S)NNC(=S)N MCULE-5135633910 [0,0,0,0,0,1|1,1,0]=3 732 B7R0.6 NC(=S)SSC(=S)N MCULE-5593312547 [0,0,0,0,0,1|2,1,0]=4 733 B4R0.1 C#CC(=O)C MCULE-1296030711 [2,0,0,0,0,0|1,0,1]=4 734 B4R0.1 C/C=C(/C)\Cl MCULE-6841426098 [2,0,0,0,0,0|2,0,0]=4 735 B4R0.1 C/C=C(\C)/Br MCULE-3045523462 [2,0,0,0,0,0|2,0,0]=4 736 B4R0.1 C/C=C(\C)/Cl MCULE-4683862502 [2,0,0,0,0,0|2,0,0]=4 737 B4R0.1 C=C(Br)C=O MCULE-9500973388 [2,0,0,0,0,0|2,0,0]=4 738 B4R0.1 C=C(C)C=O MCULE-3758355501 [2,0,0,0,0,0|1,1,0]=4 739 B4R0.1 C=C(C)CN MCULE-1033495975 [2,0,0,0,0,0|1,0,1]=4 740 B4R0.1 C=C(C)CN MCULE-8730181300 [2,0,0,0,0,0|1,0,1]=4 741 B4R0.1 C=C=C(C)C MCULE-8705186354 [2,0,0,0,0,0|2,0,0]=4 742 B4R0.1 C=CC(=C)C MCULE-1668999564 [2,0,0,0,0,0|2,0,0]=4 743 B4R0.1 C=CC(=O)C MCULE-4924646293 [2,0,0,0,0,0|1,0,0]=3 744 B4R0.1 C=CC(=O)Cl MCULE-3579233798 [2,0,0,0,0,0|2,0,0]=4 745 B4R0.1 C=CC(=O)N MCULE-4309430654 [2,0,0,0,0,0|0,1,1]=4 746 B4R0.1 C=CC(=O)O MCULE-9352227082 [2,0,0,0,0,0|2,0,0]=4 747 B4R0.1 C=CC(=O)[O-] MCULE-3928960314 [2,0,0,0,0,0|2,0,0]=4 748 B4R0.1 C=CC(=O)[O-] MCULE-4331301308 [2,0,0,0,0,0|2,0,0]=4 749 B4R0.1 C=CC(=O)[O-] MCULE-5516854555 [2,0,0,0,0,0|2,0,0]=4 750 B4R0.1 CC(=CBr)C MCULE-9508381610 [2,0,0,0,0,0|2,0,0]=4 751 B4R0.1 CC(=CCl)C MCULE-4321554138 [2,0,0,0,0,0|2,0,0]=4 752 B4R0.1 CC(=CCl)Cl MCULE-3528888685 [2,0,0,0,0,0|2,0,0]=4 753 B4R0.1 CC(=N)NN MCULE-2302306720 [2,0,0,0,0,0|1,0,0]=3 754 B4R0.1 CC(=N)NN MCULE-5362481009 [2,0,0,0,0,0|1,0,0]=3 755 B4R0.1 CC(=NN)C MCULE-8828852790 [2,0,0,0,0,0|1,0,1]=4 756 B4R0.1 CC(=O)C#N MCULE-6317771757 [2,0,0,0,0,0|0,0,2]=4 757 B4R0.1 CC(=O)C=O MCULE-2718961814 [2,0,0,0,0,0|0,1,0]=3 758 B4R0.1 CC(=O)CBr MCULE-7812920675 [2,0,0,0,0,0|1,0,1]=4 759 B4R0.1 CC(=O)CCl MCULE-2501365933 [2,0,0,0,0,0|1,0,1]=4 760 B4R0.1 CC(=O)CF MCULE-7417279999 [2,0,0,0,0,0|1,0,1]=4 761 B4R0.1 CC(=O)CN MCULE-2715277783 [2,0,0,0,0,0|0,0,1]=3 762 B4R0.1 CC(=O)CN MCULE-6004541862 [2,0,0,0,0,0|0,0,1]=3 763 B4R0.1 CC(=O)CO MCULE-2989526028 [2,0,0,0,0,0|0,1,1]=4 764 B4R0.1 CC(=O)CS MCULE-9736174016 [2,0,0,0,0,0|0,0,2]=4 765 B4R0.1 CC(=O)NBr MCULE-6502070876 [2,0,0,0,0,0|1,0,0]=3 766 B4R0.1 CC(=O)NN MCULE-9183467120 [2,0,0,0,0,0|0,0,0]=2 767 B4R0.1 CC(=O)NO MCULE-2682231025 [2,0,0,0,0,0|0,1,0]=3 768 B4R0.1 CC(=O)OO MCULE-6028338742 [2,0,0,0,0,0|1,1,0]=4 769 B4R0.1 CC(C)NN MCULE-4673953224 [2,0,0,0,0,0|1,0,1]=4 770 B4R0.1 CC(C)NN MCULE-7901160798 [2,0,0,0,0,0|1,0,1]=4 771 B4R0.1 CC(C)NN MCULE-9473118288 [2,0,0,0,0,0|1,0,1]=4 772 B4R0.1 CC(N)C=O MCULE-3421118418 [2,0,0,0,0,0|1,0,1]=4 773 B4R0.1 CC=C(C)Br MCULE-1371905211 [2,0,0,0,0,0|2,0,0]=4 774 B4R0.1 CC=C(C)C MCULE-4230157245 [2,0,0,0,0,0|2,0,0]=4 775 B4R0.1 CC=C(C)Cl MCULE-3844314543 [2,0,0,0,0,0|2,0,0]=4 776 B4R0.1 CC=C(Cl)Cl MCULE-3741261135 [2,0,0,0,0,0|2,0,0]=4 777 B4R0.1 CC=C(F)F MCULE-5544510852 [2,0,0,0,0,0|2,0,0]=4 778 B4R0.1 CCC(=N)N MCULE-1856575742 [2,0,0,0,0,0|1,0,1]=4 779 B4R0.1 CCC(=N)N MCULE-2534386807 [2,0,0,0,0,0|1,0,1]=4 780 B4R0.1 CCC(=O)C MCULE-8276670748 [2,0,0,0,0,0|1,0,1]=4 781 B4R0.1 CCC(=O)N MCULE-3730796130 [2,0,0,0,0,0|0,1,1]=4 782 B4R0.1 CCC(=S)N MCULE-3921479699 [2,0,0,0,0,0|0,0,1]=3 783 B4R0.1 CN(C)C=S MCULE-3571847382 [2,0,0,0,0,0|2,0,0]=4 784 B4R0.1 CN(N)C=O MCULE-6353057165 [2,0,0,0,0,0|2,0,0]=4 785 B4R0.1 CNC(=N)N MCULE-1074994749 [2,0,0,0,0,0|1,0,0]=3 786 B4R0.1 CNC(=N)N MCULE-6149731862 [2,0,0,0,0,0|1,0,0]=3 787 B4R0.1 CNC(=N)N MCULE-7667364021 [2,0,0,0,0,0|1,0,0]=3 788 B4R0.1 CNC(=N)N MCULE-7854448694 [2,0,0,0,0,0|1,0,0]=3 789 B4R0.1 CNC(=O)C MCULE-2612997941 [2,0,0,0,0,0|0,0,1]=3 790 B4R0.1 CNC(=O)Cl MCULE-7743744606 [2,0,0,0,0,0|1,0,1]=4 791 B4R0.1 CNC(=O)N MCULE-6422331704 [2,0,0,0,0,0|0,1,0]=3 792 B4R0.1 CNC(=S)C MCULE-8699171591 [2,0,0,0,0,0|1,0,0]=3 793 B4R0.1 CNC(=S)N MCULE-7103250725 [2,0,0,0,0,0|0,0,0]=2 794 B4R0.1 CNC(=S)[S-] MCULE-4072880135 [2,0,0,0,0,0|1,0,0]=3 795 B4R0.1 CNC(=S)[S-] MCULE-4924829934 [2,0,0,0,0,0|1,0,0]=3 796 B4R0.1 COC(=N)N MCULE-1611076737 [2,0,0,0,0,0|2,0,0]=4 797 B4R0.1 COC(=N)N MCULE-4923904579 [2,0,0,0,0,0|2,0,0]=4 798 B4R0.1 COC(=N)N MCULE-6696789855 [2,0,0,0,0,0|2,0,0]=4 799 B4R0.1 COC(=N)N MCULE-9171600210 [2,0,0,0,0,0|2,0,0]=4 800 B4R0.1 COC(=O)C MCULE-7368066093 [2,0,0,0,0,0|1,0,1]=4 801 B4R0.1 COC(=O)N MCULE-4070607369 [2,0,0,0,0,0|1,1,0]=4 802 B4R0.1 COC(=S)N MCULE-9414558443 [2,0,0,0,0,0|1,0,0]=3 803 B4R0.1 COC(=S)[S-] MCULE-4829872223 [2,0,0,0,0,0|2,0,0]=4 804 B4R0.1 COC(=S)[S-] MCULE-6509496630 [2,0,0,0,0,0|2,0,0]=4 805 B4R0.1 CSC(=N)N MCULE-1471368384 [2,0,0,0,0,0|2,0,0]=4 806 B4R0.1 CSC(=N)N MCULE-3394284504 [2,0,0,0,0,0|2,0,0]=4 807 B4R0.1 CSC(=N)N MCULE-3752198299 [2,0,0,0,0,0|2,0,0]=4 808 B4R0.1 CSC(=N)N MCULE-5672446896 [2,0,0,0,0,0|2,0,0]=4 809 B4R0.1 CSC(=N)N MCULE-8409992127 [2,0,0,0,0,0|2,0,0]=4 810 B4R0.1 CSC(=O)C MCULE-7061634598 [2,0,0,0,0,0|1,0,1]=4 811 B4R0.1 CSC(=S)C MCULE-4836153374 [2,0,0,0,0,0|2,0,0]=4 812 B4R0.1 N=C(N)NN MCULE-1109353559 [2,0,0,0,0,0|2,0,0]=4 813 B4R0.1 N=C(N)NN MCULE-3637328913 [2,0,0,0,0,0|2,0,0]=4 814 B4R0.1 N=C(N)NN MCULE-4551185793 [2,0,0,0,0,0|2,0,0]=4 815 B4R0.1 N=C(N)NN MCULE-8251830457 [2,0,0,0,0,0|2,0,0]=4 816 B4R0.1 N=C(N)NO MCULE-2554837832 [2,0,0,0,0,0|1,0,1]=4 817 B4R0.1 N=C(N)NO MCULE-5458374815 [2,0,0,0,0,0|1,0,1]=4 818 B4R0.1 N=C(N)NO MCULE-5913043834 [2,0,0,0,0,0|1,0,1]=4 819 B4R0.1 NC(=O)NO MCULE-9465284053 [2,0,0,0,0,0|0,1,1]=4 820 B4R0.1 NC(=S)CF MCULE-7873791134 [2,0,0,0,0,0|1,0,1]=4 821 B4R0.1 NC(=S)CO MCULE-9301705313 [2,0,0,0,0,0|0,0,2]=4 822 B4R0.1 NCC(=O)N MCULE-1048848056 [2,0,0,0,0,0|1,0,1]=4 823 B4R0.1 NCC(=O)N MCULE-2174395809 [2,0,0,0,0,0|1,0,1]=4 824 B4R0.1 NCC(=O)N MCULE-6113166250 [2,0,0,0,0,0|1,0,1]=4 825 B4R0.1 NCC(=O)O MCULE-2415764032 [2,0,0,0,0,0|1,0,1]=4 826 B4R0.1 NCC(=O)O MCULE-3643110755 [2,0,0,0,0,0|1,0,1]=4 827 B4R0.1 NCC(=O)O MCULE-4349255299 [2,0,0,0,0,0|1,0,1]=4 828 B4R0.1 NCC(=O)O MCULE-9146223615 [2,0,0,0,0,0|1,0,1]=4 829 B4R0.1 NCC(=O)O MCULE-9701991737 [2,0,0,0,0,0|1,0,1]=4 830 B4R0.1 NCC(=O)S MCULE-9837799864 [2,0,0,0,0,0|1,0,1]=4 831 B4R0.1 NCC(=O)[O-] MCULE-5975202378 [2,0,0,0,0,0|1,0,1]=4 832 B4R0.1 NNC(=O)N MCULE-3392559370 [2,0,0,0,0,0|1,0,0]=3 833 B4R0.1 NNC(=O)N MCULE-8490374775 [2,0,0,0,0,0|1,0,0]=3 834 B4R0.1 NNC(=S)N MCULE-2970024636 [2,0,0,0,0,0|1,0,0]=3 835 B4R0.1 NNC(=S)N MCULE-6378380063 [2,0,0,0,0,0|1,0,0]=3 836 B4R0.1 O=CC(=O)O MCULE-5307898766 [2,0,0,0,0,0|1,1,0]=4 837 B4R0.1 [NH3+]NC(=N)N MCULE-6971198355 [2,0,0,0,0,0|2,0,0]=4 838 B4R0.2 C/C=C/C=O MCULE-9924705308 [2,0,0,0,0,0|1,1,0]=4 839 B4R0.2 C=CC=CC MCULE-4452516287 [2,0,0,0,0,0|2,0,0]=4 840 B4R0.2 C=CNC=O MCULE-8403928899 [2,0,0,0,0,0|1,0,0]=3 841 B4R0.2 CC=CC=O MCULE-2497362981 [2,0,0,0,0,0|1,1,0]=4 842 B4R0.2 CCNC=O MCULE-9309926274 [2,0,0,0,0,0|0,1,1]=4 843 B4R0.2 N/C=C/C=O MCULE-2444951625 [2,0,0,0,0,0|1,0,0]=3 844 B4R0.2 NC=CC=O MCULE-4070918342 [2,0,0,0,0,0|1,0,0]=3 845 B4R0.2 O=CNC=O MCULE-3098379420 [2,0,0,0,0,0|0,1,0]=3 846 B4R0.2 O=COC=O MCULE-6311384332 [2,0,0,0,0,0|1,1,0]=4 847 B4R0.2 O=C[N-]C=O MCULE-4923470284 [2,0,0,0,0,0|0,1,1]=4 848 B6R0.1 C(=C/C(=O)CC)\C MCULE-9250312874 [1,1,0,0,0,0|2,0,0]=4 849 B6R0.1 C/C=C/C(=O)OC MCULE-8935178488 [1,1,0,0,0,0|2,0,0]=4 850 B6R0.1 C=CCC(=O)CN MCULE-3960819679 [1,1,0,0,0,0|2,0,0]=4 851 B6R0.1 C=CCC(=O)CN MCULE-8089375331 [1,1,0,0,0,0|2,0,0]=4 852 B6R0.1 C=CCC(=O)NC MCULE-4823208577 [1,1,0,0,0,0|2,0,0]=4 853 B6R0.1 C=CCC(=O)OC MCULE-5546680906 [1,1,0,0,0,0|2,0,0]=4 854 B6R0.1 C=COC(=O)CC MCULE-7662621547 [1,1,0,0,0,0|2,0,0]=4 855 B6R0.1 C=COC(=O)CCl MCULE-7675766105 [1,1,0,0,0,0|2,0,0]=4 856 B6R0.1 CC=CC(=O)CC MCULE-5948495959 [1,1,0,0,0,0|2,0,0]=4 857 B6R0.1 CC=CC(=O)OC MCULE-1093700917 [1,1,0,0,0,0|2,0,0]=4 858 B6R0.1 CCC(=O)NOC MCULE-4440074406 [1,1,0,0,0,0|2,0,0]=4 859 B6R0.1 CCNC(=O)CBr MCULE-5393521747 [1,1,0,0,0,0|1,0,1]=4 860 B6R0.1 CCNC(=O)CC MCULE-8820594723 [1,1,0,0,0,0|1,0,1]=4 861 B6R0.1 CCNC(=O)CCl MCULE-7288703153 [1,1,0,0,0,0|1,0,1]=4 862 B6R0.1 CCNC(=O)CN MCULE-1913543460 [1,1,0,0,0,0|0,1,1]=4 863 B6R0.1 CCNC(=O)CN MCULE-5473845751 [1,1,0,0,0,0|0,1,1]=4 864 B6R0.1 CCNC(=O)CO MCULE-1386307800 [1,1,0,0,0,0|1,0,1]=4 865 B6R0.1 CCNC(=O)NC MCULE-7197803115 [1,1,0,0,0,0|0,1,1]=4 866 B6R0.1 CCNC(=O)NN MCULE-9055200574 [1,1,0,0,0,0|0,1,1]=4 867 B6R0.1 CCNC(=O)NO MCULE-3264850022 [1,1,0,0,0,0|0,1,1]=4 868 B6R0.1 CCNC(=O)OC MCULE-7110705188 [1,1,0,0,0,0|1,0,1]=4 869 B6R0.1 CCNC(=S)NN MCULE-9599210899 [1,1,0,0,0,0|0,0,1]=3 870 B6R0.1 CNC(=O)CCN MCULE-1374127264 [1,1,0,0,0,0|1,0,1]=4 871 B6R0.1 CNC(=O)CCN MCULE-3948893656 [1,1,0,0,0,0|1,0,1]=4 872 B6R0.1 CNC(=O)CON MCULE-6451598359 [1,1,0,0,0,0|2,0,0]=4 873 B6R0.1 CNC(=O)CON MCULE-8743298594 [1,1,0,0,0,0|2,0,0]=4 874 B6R0.1 CNC(=S)NC#N MCULE-2638134518 [1,1,0,0,0,0|1,0,1]=4 875 B6R0.1 CNC(=S)NCO MCULE-2829573844 [1,1,0,0,0,0|0,0,2]=4 876 B6R0.1 CNNC(=O)OC MCULE-4763095719 [1,1,0,0,0,0|2,0,0]=4 877 B6R0.1 COC(=O)/C=C/Br MCULE-8282646495 [1,1,0,0,0,0|2,0,0]=4 878 B6R0.1 COC(=O)/C=C/I MCULE-2652779390 [1,1,0,0,0,0|2,0,0]=4 879 B6R0.1 COC(=O)/C=C\Br MCULE-8147758029 [1,1,0,0,0,0|2,0,0]=4 880 B6R0.1 COC(=O)/C=C\I MCULE-9091408550 [1,1,0,0,0,0|2,0,0]=4 881 B6R0.1 COC(=O)C=CBr MCULE-6878439912 [1,1,0,0,0,0|2,0,0]=4 882 B6R0.1 COC(=O)C=CCl MCULE-6895925134 [1,1,0,0,0,0|2,0,0]=4 883 B6R0.1 COC(=O)C=CI MCULE-1616048599 [1,1,0,0,0,0|2,0,0]=4 884 B6R0.1 COC(=O)C=CN MCULE-4685220707 [1,1,0,0,0,0|1,0,0]=3 885 B6R0.1 COC(=O)CC=O MCULE-6624474559 [1,1,0,0,0,0|1,1,0]=4 886 B6R0.1 COC(=O)CCN MCULE-2306060188 [1,1,0,0,0,0|1,0,1]=4 887 B6R0.1 COC(=O)CCN MCULE-8245275833 [1,1,0,0,0,0|1,0,1]=4 888 B6R0.1 COC(=O)CNN MCULE-3287579794 [1,1,0,0,0,0|2,0,0]=4 889 B6R0.1 COC(=O)CNN MCULE-3838874166 [1,1,0,0,0,0|2,0,0]=4 890 B6R0.1 COC(=O)CON MCULE-4799038238 [1,1,0,0,0,0|2,0,0]=4 891 B6R0.1 COC(=O)N=C=S MCULE-2981767233 [1,1,0,0,0,0|0,0,2]=4 892 B6R0.1 COC(=O)NC=O MCULE-9852632340 [1,1,0,0,0,0|0,1,0]=3 893 B6R0.1 CONC(=O)OC MCULE-9304532248 [1,1,0,0,0,0|2,0,0]=4 894 B6R0.1 NCCC(=O)CN MCULE-3906468943 [1,1,0,0,0,0|1,0,1]=4 895 B6R0.1 NCCC(=O)CN MCULE-9593243702 [1,1,0,0,0,0|1,0,1]=4 896 B6R0.1 O=C(C=CCl)CCl MCULE-6121304267 [1,1,0,0,0,0|2,0,0]=4 897 B6R0.1 O=C(CCl)NCO MCULE-9960585064 [1,1,0,0,0,0|0,1,1]=4 898 B6R0.3 C=CN(C)C(=O)C MCULE-2418332000 [1,1,0,0,0,0|1,0,0]=3 899 B6R0.3 CC(=O)C(Br)C=O MCULE-6904531970 [1,1,0,0,0,0|1,1,0]=4 900 B6R0.3 CC(=O)C(C)C=O MCULE-7133682970 [1,1,0,0,0,0|1,1,0]=4 901 B6R0.3 CC=C(C)C(=O)C MCULE-8950290711 [1,1,0,0,0,0|2,0,0]=4 902 B6R0.3 CCC(C)C(=S)N MCULE-9682279721 [1,1,0,0,0,0|1,0,1]=4 903 B6R0.3 CCN(C)C(=N)N MCULE-1941465818 [1,1,0,0,0,0|1,0,1]=4 904 B6R0.3 CCN(C)C(=O)C MCULE-6881823095 [1,1,0,0,0,0|1,0,1]=4 905 B6R0.3 CCN(N)C(=O)N MCULE-8674876262 [1,1,0,0,0,0|0,1,1]=4 906 B6R0.3 CCN(O)C(=O)C MCULE-8547381969 [1,1,0,0,0,0|1,0,1]=4 907 B6R0.3 CN(N=O)C(=O)N MCULE-7683488639 [1,1,0,0,0,0|1,1,0]=4 908 B6R0.3 COC(=O)C(=S)N MCULE-8900860523 [1,1,0,0,0,0|2,0,0]=4 909 B6R0.3 COC(C)C(=S)N MCULE-6827196665 [1,1,0,0,0,0|2,0,0]=4 910 B6R0.3 CON(C)C(=O)C MCULE-8559238750 [1,1,0,0,0,0|2,0,0]=4 911 B6R0.4 C#CCNC(=O)C MCULE-1159984782 [1,1,0,0,0,0|1,0,1]=4 912 B6R0.4 C/C=C/CC(=O)N MCULE-1942934157 [1,1,0,0,0,0|1,1,0]=4 913 B6R0.4 C/C=N/NC(=O)N MCULE-5855402964 [1,1,0,0,0,0|0,1,0]=3 914 B6R0.4 C=CCCC(=O)C MCULE-9598399930 [1,1,0,0,0,0|2,0,0]=4 915 B6R0.4 C=CCNC(=O)C MCULE-7903624915 [1,1,0,0,0,0|1,0,0]=3 916 B6R0.4 C=CCNC(=O)N MCULE-1210131291 [1,1,0,0,0,0|0,1,1]=4 917 B6R0.4 C=CCNC(=S)N MCULE-4099442157 [1,1,0,0,0,0|0,0,1]=3 918 B6R0.4 C=CCOC(=O)C MCULE-9991130828 [1,1,0,0,0,0|2,0,0]=4 919 B6R0.4 C=CNCC(=O)O MCULE-5142273921 [1,1,0,0,0,0|2,0,0]=4 920 B6R0.4 CC(=NNC=O)C MCULE-6194074981 [1,1,0,0,0,0|1,1,0]=4 921 B6R0.4 CC(=O)CCC=O MCULE-4767690464 [1,1,0,0,0,0|1,1,0]=4 922 B6R0.4 CC(=O)NCC#N MCULE-2345227602 [1,1,0,0,0,0|0,0,2]=4 923 B6R0.4 CC(=O)NCCCl MCULE-7865062188 [1,1,0,0,0,0|1,0,1]=4 924 B6R0.4 CC(=O)NCCN MCULE-2230084818 [1,1,0,0,0,0|0,0,1]=3 925 B6R0.4 CC(=O)NCCO MCULE-5968518415 [1,1,0,0,0,0|0,1,1]=4 926 B6R0.4 CC(=O)NCCS MCULE-3345813615 [1,1,0,0,0,0|0,0,2]=4 927 B6R0.4 CC(=O)OCCN MCULE-4530529900 [1,1,0,0,0,0|1,0,1]=4 928 B6R0.4 CC(=O)OCCN MCULE-6854340494 [1,1,0,0,0,0|1,0,1]=4 929 B6R0.4 CC(=O)SCCN MCULE-3819903256 [1,1,0,0,0,0|1,0,1]=4 930 B6R0.4 CC(=O)SCCN MCULE-4872130470 [1,1,0,0,0,0|1,0,1]=4 931 B6R0.4 CC(=O)SCCN MCULE-7084821345 [1,1,0,0,0,0|1,0,1]=4 932 B6R0.4 CC/C=C/C(=N)N MCULE-7871697378 [1,1,0,0,0,0|2,0,0]=4 933 B6R0.4 CC/C=C/C(=N)N MCULE-9276291098 [1,1,0,0,0,0|2,0,0]=4 934 B6R0.4 CC=NNC(=O)N MCULE-3878774235 [1,1,0,0,0,0|0,1,0]=3 935 B6R0.4 CC=NNC(=S)N MCULE-3128372277 [1,1,0,0,0,0|0,0,0]=2 936 B6R0.4 CCC=CC(=O)C MCULE-2986269826 [1,1,0,0,0,0|2,0,0]=4 937 B6R0.4 CCCCC(=S)N MCULE-8236760762 [1,1,0,0,0,0|1,0,1]=4 938 B6R0.4 CCCNC(=N)N MCULE-6381843991 [1,1,0,0,0,0|1,0,1]=4 939 B6R0.4 CCCNC(=N)N MCULE-8286774592 [1,1,0,0,0,0|1,0,1]=4 940 B6R0.4 CCCNC(=O)C MCULE-5899703886 [1,1,0,0,0,0|1,0,1]=4 941 B6R0.4 CCCNC(=O)N MCULE-8528844765 [1,1,0,0,0,0|0,1,1]=4 942 B6R0.4 CCCNC(=S)N MCULE-3142756488 [1,1,0,0,0,0|0,0,1]=3 943 B6R0.4 CCNCC(=O)C MCULE-5799315547 [1,1,0,0,0,0|1,0,1]=4 944 B6R0.4 CCNCC(=O)C MCULE-9258294157 [1,1,0,0,0,0|1,0,1]=4 945 B6R0.4 CCNCC(=O)N MCULE-1787248899 [1,1,0,0,0,0|0,1,1]=4 946 B6R0.4 CCNCC(=O)N MCULE-3821700273 [1,1,0,0,0,0|0,1,1]=4 947 B6R0.4 CCOCC(=S)N MCULE-7064672670 [1,1,0,0,0,0|1,0,1]=4 948 B6R0.4 CO/C=C/C(=O)C MCULE-1215649803 [1,1,0,0,0,0|1,1,0]=4 949 B6R0.4 COC=CC(=O)C MCULE-4868833764 [1,1,0,0,0,0|1,1,0]=4 950 B6R0.4 COCNC(=O)N MCULE-8367032240 [1,1,0,0,0,0|0,1,1]=4 951 B6R0.4 N/N=C/NC(=O)N MCULE-6272806279 [1,1,0,0,0,0|1,0,0]=3 952 B6R0.4 N/N=C/NC(=O)N MCULE-7518775080 [1,1,0,0,0,0|1,0,0]=3 953 B6R0.4 N/N=C/NC(=S)N MCULE-4559471947 [1,1,0,0,0,0|1,0,0]=3 954 B6R0.4 N=C(N)NCCO MCULE-5114367892 [1,1,0,0,0,0|1,0,1]=4 955 B6R0.4 N=C(N)NCCO MCULE-6389092248 [1,1,0,0,0,0|1,0,1]=4 956 B6R0.4 N=C(N)NCCS MCULE-1108122235 [1,1,0,0,0,0|1,0,1]=4 957 B6R0.4 N=C(N)NCCS MCULE-1842583721 [1,1,0,0,0,0|1,0,1]=4 958 B6R0.4 N=C(N)NCCS MCULE-4497722042 [1,1,0,0,0,0|1,0,1]=4 959 B6R0.4 N=C(N)NCCS MCULE-6123443321 [1,1,0,0,0,0|1,0,1]=4 960 B6R0.4 NC(=O)NCCCl MCULE-6117142945 [1,1,0,0,0,0|0,1,1]=4 961 B6R0.4 NC(=O)NCCF MCULE-9526714989 [1,1,0,0,0,0|0,1,1]=4 962 B6R0.4 NC(=O)NCCO MCULE-2353513655 [1,1,0,0,0,0|0,1,1]=4 963 B6R0.4 NC(=S)CCCO MCULE-8951145487 [1,1,0,0,0,0|1,0,1]=4 964 B6R0.4 NC(=S)NCCO MCULE-9343742573 [1,1,0,0,0,0|0,0,1]=3 965 B6R0.4 NC(=S)NNC=O MCULE-5309261345 [1,1,0,0,0,0|0,0,0]=2 966 B6R0.4 NC/C=C/C(=O)O MCULE-1249244912 [1,1,0,0,0,0|2,0,0]=4 967 B6R0.4 NCC=CC(=O)O MCULE-3049811576 [1,1,0,0,0,0|2,0,0]=4 968 B6R0.4 NCC=CC(=O)O MCULE-5171717036 [1,1,0,0,0,0|2,0,0]=4 969 B6R0.4 NCCNC(=O)N MCULE-1197396950 [1,1,0,0,0,0|0,1,1]=4 970 B6R0.4 NCCNC(=O)N MCULE-2171700183 [1,1,0,0,0,0|0,1,1]=4 971 B6R0.4 NCCNC(=O)N MCULE-3799764813 [1,1,0,0,0,0|0,1,1]=4 972 B6R0.4 NCCNC(=S)N MCULE-7473616024 [1,1,0,0,0,0|0,0,1]=3 973 B6R0.4 NCCNC(=S)N MCULE-7947010145 [1,1,0,0,0,0|0,0,1]=3 974 B6R0.4 O=CNCC(=O)O MCULE-3251128290 [1,1,0,0,0,0|1,1,0]=4 975 B6R0.7 CC(=O)C(C)(C)N MCULE-8236547032 [0,1,0,0,1,0|1,0,1]=4 976 B6R0.7 CC(=O)C(C)(C)N MCULE-9736681939 [0,1,0,0,1,0|1,0,1]=4 977 B6R0.7 CC(C)(C)C(=S)N MCULE-3063566984 [0,1,0,0,1,0|1,0,1]=4 978 B8R0.9 C=C(C)CNC(=S)NN MCULE-4811211622 [0,1,0,0,0,1|1,0,0]=3 979 B8R0.9 C=C(C)CNC(=S)OC MCULE-1057647049 [0,1,0,0,0,1|2,0,0]=4 980 B8R0.9 C=CC(=O)NCC(=O)N MCULE-4638561901 [0,1,0,0,0,1|0,1,1]=4 981 B8R0.9 CC(=NNC(=O)N)CCl MCULE-4167504735 [0,1,0,0,0,1|1,1,0]=4 982 B8R0.9 CC(=O)NC/C(=N\O)/N MCULE-6544551877 [0,1,0,0,0,1|0,1,0]=3 983 B8R0.9 CC(=O)NCC(=O)NN MCULE-1688027287 [0,1,0,0,0,1|0,1,0]=3 984 B8R0.9 CC(=O)NCC(C)CN MCULE-6305271563 [0,1,0,0,0,1|1,0,1]=4 985 B8R0.9 CC(=O)NNC(=O)CBr MCULE-4536348366 [0,1,0,0,0,1|1,1,0]=4 986 B8R0.9 CC(=O)NNC(=O)CCl MCULE-7123176949 [0,1,0,0,0,1|1,1,0]=4 987 B8R0.9 CCC(=NNC(=O)N)C MCULE-1772875667 [0,1,0,0,0,1|1,1,0]=4 988 B8R0.9 CCC(=NNC(=S)N)C MCULE-2696661558 [0,1,0,0,0,1|1,0,0]=3 989 B8R0.9 CCC(=O)NC=C(Cl)Cl MCULE-3371577431 [0,1,0,0,0,1|2,0,0]=4 990 B8R0.9 CCC(=O)NCC(=O)O MCULE-9173889437 [0,1,0,0,0,1|1,1,0]=4 991 B8R0.9 CCC(=O)NNC(=S)N MCULE-4378556148 [0,1,0,0,0,1|0,0,0]=2 992 B8R0.9 CNC(=O)CNC(=O)C MCULE-3508245247 [0,1,0,0,0,1|0,1,0]=3 993 B8R0.9 CNC(=O)NCC(=O)O MCULE-9575946804 [0,1,0,0,0,1|1,1,0]=4 994 B8R0.9 CNC(=S)NN=C(C)C MCULE-1307710463 [0,1,0,0,0,1|1,0,0]=3 995 B8R0.9 CNC(=S)NNC(=O)C MCULE-8375703993 [0,1,0,0,0,1|0,0,0]=2 996 B8R0.9 COC(=O)/C=C/C(=O)N MCULE-9155646828 [0,1,0,0,0,1|1,1,0]=4 997 B8R0.9 COC(=O)CCC(=O)N MCULE-1154081515 [0,1,0,0,0,1|1,1,0]=4 998 B8R0.9 COC(=O)CCC(=S)N MCULE-4037707510 [0,1,0,0,0,1|1,0,0]=3 999 B8R0.9 COC(=O)CNC(=O)C MCULE-3795072377 [0,1,0,0,0,1|1,1,0]=4 1000 B8R0.9 COC(=O)CSC(=N)N MCULE-5721573915 [0,1,0,0,0,1|2,0,0]=4 1001 B8R0.9 COC(=O)CSC(=N)N MCULE-8534299006 [0,1,0,0,0,1|2,0,0]=4 1002 B8R0.9 COC(=O)NC=C(Cl)Cl MCULE-2653117551 [0,1,0,0,0,1|2,0,0]=4 1003 B8R0.9 COC(=O)NCC(=O)C MCULE-1043877696 [0,1,0,0,0,1|1,1,0]=4 1004 B8R0.9 COC(=O)NCC(=O)O MCULE-3693365728 [0,1,0,0,0,1|1,1,0]=4 1005 B8R0.9 CSC(=S)NN=C(C)C MCULE-5704247905 [0,1,0,0,0,1|2,0,0]=4 1006 B8R0.9 NCC(=O)NCC(=O)N MCULE-8386571025 [0,1,0,0,0,1|0,1,0]=3 1007 B8R0.9 NCC(=O)NCC(=O)O MCULE-1239116894 [0,1,0,0,0,1|1,1,0]=4 1008 B8R0.9 NCC(=O)NCC(=O)O MCULE-2139302839 [0,1,0,0,0,1|1,1,0]=4 1009 B8R0.9 NNC(=O)NCC(=O)O MCULE-6013763993 [0,1,0,0,0,1|1,1,0]=4 1010 B8R0.9 NNC(=O)NCC(=O)O MCULE-8104731063 [0,1,0,0,0,1|1,1,0]=4 1011 B8R0.9 NNC(=S)NCC(=O)N MCULE-6705086685 [0,1,0,0,0,1|1,0,0]=3 1012 B8R0.9 O=C(O)CNC(=O)CCl MCULE-2917654196 [0,1,0,0,0,1|1,1,0]=4 1013 B8R0.23 C=C(NC(=O)C)C(=O)O MCULE-6963284423 [0,1,0,0,0,1|1,1,0]=4 1014 B8R0.23 CC(=NN(C)C(=S)N)C MCULE-9677750262 [0,1,0,0,0,1|1,0,0]=3 1015 B8R0.23 CC(=O)N(C)CC(=O)O MCULE-1037482941 [0,1,0,0,0,1|1,1,0]=4 1016 B8R0.23 CC(=O)NC(=O)C(=O)N MCULE-2486343722 [0,1,0,0,0,1|0,1,0]=3 1017 B8R0.23 CC(=O)NC(C)C(=O)C MCULE-4672583112 [0,1,0,0,0,1|1,1,0]=4 1018 B8R0.23 CC(=O)NC(C)C(=O)O MCULE-1209958700 [0,1,0,0,0,1|1,1,0]=4 1019 B8R0.23 CC(=O)NC(C)C(=O)O MCULE-6844686208 [0,1,0,0,0,1|1,1,0]=4 1020 B8R0.23 CC(=O)N[C@@H](C)C(=O)Cl MCULE-1899336261 [0,1,0,0,0,1|1,1,0]=4 1021 B8R0.23 CC(=O)N[C@@H](C)C(=O)Cl MCULE-2242849037 [0,1,0,0,0,1|1,1,0]=4 1022 B8R0.23 CC(=O)N[C@@H](C)C(=O)N MCULE-9322824133 [0,1,0,0,0,1|0,1,0]=3 1023 B8R0.23 CC(=O)N[C@@H](C)C(=O)N MCULE-9348799148 [0,1,0,0,0,1|0,1,0]=3 1024 B8R0.23 CC(=O)N[C@@H](C)C(=O)O MCULE-7453059048 [0,1,0,0,0,1|1,1,0]=4 1025 B8R0.23 CC(=O)N[C@@H](C)C(=O)O MCULE-9637570463 [0,1,0,0,0,1|1,1,0]=4 1026 B8R0.23 CC(=O)N[C@H](C)C(=O)O MCULE-1908712348 [0,1,0,0,0,1|1,1,0]=4 1027 B8R0.23 CC(=O)N[C@H](C)C(=O)O MCULE-3023888296 [0,1,0,0,0,1|1,1,0]=4 1028 B8R0.23 CC(=O)O[C@@H](C)C(=S)N MCULE-3286144331 [0,1,0,0,0,1|1,0,0]=3 1029 B8R0.23 CC(C)C(=O)NC(=S)N MCULE-1170470683 [0,1,0,0,0,1|1,0,1]=4 1030 B8R0.23 CC(NC(=N)N)C(=O)O MCULE-1509115617 [0,1,0,0,0,1|2,0,0]=4 1031 B8R0.23 CC(NC(=O)N)C(=O)O MCULE-9370944250 [0,1,0,0,0,1|1,1,0]=4 1032 B8R0.23 CN(CC(=O)O)C(=N)N MCULE-3625061513 [0,1,0,0,0,1|2,0,0]=4 1033 B8R0.23 CN(CC(=O)O)C(=N)N MCULE-4950835709 [0,1,0,0,0,1|2,0,0]=4 1034 B8R0.23 CN(CC(=O)O)C(=N)N MCULE-5131797215 [0,1,0,0,0,1|2,0,0]=4 1035 B8R0.23 CN(CC(=O)O)C(=O)N MCULE-6739535875 [0,1,0,0,0,1|1,1,0]=4 1036 B8R0.23 CN(CC(=O)O)C(=S)S MCULE-1910105668 [0,1,0,0,0,1|2,0,0]=4 1037 B8R0.23 CN(CC(=O)[O-])C(=S)[S-] MCULE-6157085602 [0,1,0,0,0,1|2,0,0]=4 1038 B8R0.23 C[C@H](NC(=O)N)C(=O)O MCULE-7947685696 [0,1,0,0,0,1|1,1,0]=4 1039 B8R0.23 NC(=O)N(N)CC(=O)O MCULE-2553509411 [0,1,0,0,0,1|1,1,0]=4 1040 B8R0.23 OC(=O)CN(C(=O)N)N MCULE-5081763144 [0,1,0,0,0,1|1,1,0]=4 1041 B8R0.2 C=C(N)C(N)C(=O)OC MCULE-5118385991 [0,2,0,0,0,0|2,0,0]=4 1042 B8R0.2 C=C(N)C(N)C(=O)OC MCULE-7419562140 [0,2,0,0,0,0|2,0,0]=4 1043 B8R0.2 C=C(N)C(N)C(=O)OC MCULE-8416732356 [0,2,0,0,0,0|2,0,0]=4 1044 B8R0.2 CC(=O)N(N)C(=N)CCl MCULE-2175274633 [0,2,0,0,0,0|1,0,1]=4 1045 B8R0.2 CNC(=O)C(Cl)C(=O)C MCULE-7816149596 [0,2,0,0,0,0|1,1,0]=4 1046 B8R0.2 COC(=O)C(C)C(=O)N MCULE-7480268767 [0,2,0,0,0,0|1,1,0]=4 1047 B8R0.5 CCNC(=CC(=O)C)C MCULE-8804688598 [0,2,0,0,0,0|2,0,0]=4 1048 B8R0.5 CCNC(=N)NC(=N)N MCULE-4957267166 [0,2,0,0,0,0|2,0,0]=4 1049 B8R0.5 CCNC(=N)NC(=N)N MCULE-6522282435 [0,2,0,0,0,0|2,0,0]=4 1050 B8R0.5 CCOC(=O)/C=C(/C)\N MCULE-2741839757 [0,2,0,0,0,0|2,0,0]=4 1051 B8R0.5 CCOC(=O)/C=C(\C)/N MCULE-2531351299 [0,2,0,0,0,0|2,0,0]=4 1052 B8R0.5 CCOC(=O)C=C(C)N MCULE-5559390637 [0,2,0,0,0,0|2,0,0]=4 1053 B8R0.5 CCOC(=O)CC(=N)N MCULE-2205626178 [0,2,0,0,0,0|2,0,0]=4 1054 B8R0.5 CCOC(=O)CC(=N)N MCULE-7102889149 [0,2,0,0,0,0|2,0,0]=4 1055 B8R0.5 CCOC(=O)CC(=O)N MCULE-7799038725 [0,2,0,0,0,0|1,1,0]=4 1056 B8R0.5 CCOC(=O)CC(=S)N MCULE-8264583697 [0,2,0,0,0,0|1,0,0]=3 1057 B8R0.5 CCOC(=O)NC(=O)C MCULE-8711109897 [0,2,0,0,0,0|1,1,0]=4 1058 B8R0.5 CCOC(=O)NC(=O)N MCULE-7086796426 [0,2,0,0,0,0|0,1,0]=3 1059 B8R0.5 CCSC(=N)NC(=N)N MCULE-1773772994 [0,2,0,0,0,0|2,0,0]=4 1060 B8R0.5 CCSC(=N)NC(=N)N MCULE-9288651744 [0,2,0,0,0,0|2,0,0]=4 1061 B8R0.5 COCC(C)NC(=S)N MCULE-9922053025 [0,2,0,0,0,0|0,0,2]=4 1062 B8R0.5 N#CCC(=O)NC(=O)N MCULE-2207170284 [0,2,0,0,0,0|0,1,0]=3 1063 B8R0.5 NC(=O)NC(=O)CCCl MCULE-5654195703 [0,2,0,0,0,0|0,1,0]=3 1064 B8R0.16 CCC(CC)NC(=S)N MCULE-1437609331 [0,2,0,0,0,0|1,0,1]=4 1065 B8R0.16 CCN(CC)NC(=S)N MCULE-9550006279 [0,2,0,0,0,0|2,0,0]=4 1066 B8R0.19 C=CC(=O)NC(=O)NC MCULE-7491775676 [0,2,0,0,0,0|0,1,1]=4 1067 B8R0.19 CCC(C)NC(=S)NC MCULE-5202176198 [0,2,0,0,0,0|1,0,1]=4 1068 B8R0.19 CN/C(=C/C(=O)OC)/C MCULE-6748104823 [0,2,0,0,0,0|2,0,0]=4 1069 B8R0.19 CN/C(=C\C(=O)OC)/C MCULE-6583518879 [0,2,0,0,0,0|2,0,0]=4 1070 B8R0.19 CNC(=CC(=O)OC)C MCULE-1607524183 [0,2,0,0,0,0|2,0,0]=4 1071 B8R0.19 CNC(=N)NC(=N)NC MCULE-7483671708 [0,2,0,0,0,0|2,0,0]=4 1072 B8R0.19 CNC(=N)NC(=N)NC MCULE-8173222296 [0,2,0,0,0,0|2,0,0]=4 1073 B8R0.19 CNC(=O)CC(=O)NC MCULE-9228601964 [0,2,0,0,0,0|1,1,0]=4 1074 B8R0.19 CNC(=O)NC(=O)CCl MCULE-3193763796 [0,2,0,0,0,0|0,1,0]=3 1075 B8R0.19 COC(=O)C=C(N)CF MCULE-6823347436 [0,2,0,0,0,0|2,0,0]=4 1076 B8R0.19 COC(=O)NC(=O)CCl MCULE-6558463162 [0,2,0,0,0,0|1,1,0]=4 1077 B8R0.19 COC(=O)NC(C)CN MCULE-4563927308 [0,2,0,0,0,0|1,0,1]=4 1078 B8R0.19 COC(=O)NC(C)CN MCULE-8813177733 [0,2,0,0,0,0|1,0,1]=4 1079 B8R0.19 COC(=O)N[C@@H](C)CN MCULE-1533957902 [0,2,0,0,0,0|1,0,1]=4 1080 B8R0.19 COC(=O)N[C@@H](C)CN MCULE-7036214898 [0,2,0,0,0,0|1,0,1]=4 1081 B8R0.19 COC(=O)N[C@@H](C)CN MCULE-8908212489 [0,2,0,0,0,0|1,0,1]=4 1082 B8R0.19 COC(=O)N[C@@H](C)CN MCULE-9526857370 [0,2,0,0,0,0|1,0,1]=4 1083 B8R0.24 CC(C)(C)NC(=S)NN MCULE-6670377985 [0,2,0,0,0,0|1,0,1]=4 1084 B8R0.24 CS(=O)(=O)NC(=O)CN MCULE-4599672982 [0,2,0,0,0,0|1,1,0]=4 1085 B8R0.24 CS(=O)(=O)NC(=O)CN MCULE-8655912859 [0,2,0,0,0,0|1,1,0]=4 1086 B8R0.34 CCS(=O)(=O)NC(=N)N MCULE-3015940926 [0,2,0,0,0,0|2,0,0]=4 1087 B8R0.18 C/C(=C(/C#N)\C(=S)N)/N MCULE-9256436126 [0,2,0,0,0,0|2,0,0]=4 1088 B8R0.18 CC(=C(C#N)C(=S)N)N MCULE-3599412474 [0,2,0,0,0,0|2,0,0]=4 1089 B8R0.18 CON(C(=O)C)C(=O)C MCULE-2051447741 [0,2,0,0,0,0|1,1,0]=4 1090 B6R1.2 CC1=CC=CN1 MCULE-7608248575 [1,0,0,1,0,0|2,0,0]=4 1091 B6R1.2 CC1=CNC=C1 MCULE-9114555776 [1,0,0,1,0,0|2,0,0]=4 1092 B6R1.2 CC1=CNC=N1 MCULE-9375719449 [1,0,0,1,0,0|1,0,1]=4 1093 B6R1.2 CC1=NC=CN1 MCULE-4484196639 [1,0,0,1,0,0|2,0,0]=4 1094 B6R1.2 CC1=NN=CN1 MCULE-4297826922 [1,0,0,1,0,0|1,0,1]=4 1095 B6R1.2 N=C1NCCN1 MCULE-4983030911 [1,0,0,1,0,0|1,0,1]=4 1096 B6R1.2 NC1=CC=CN1 MCULE-5653620818 [1,0,0,1,0,0|1,0,1]=4 1097 B6R1.2 NC1=CC=CN1 MCULE-9753432085 [1,0,0,1,0,0|1,0,1]=4 1098 B6R1.2 NC1=CCNN1 MCULE-1539779543 [1,0,0,1,0,0|2,0,0]=4 1099 B6R1.2 NC1=CCNN1 MCULE-3460056890 [1,0,0,1,0,0|2,0,0]=4 1100 B6R1.2 NC1=CCNN1 MCULE-5423983278 [1,0,0,1,0,0|2,0,0]=4 1101 B6R1.2 NC1=CN=CN1 MCULE-3029255616 [1,0,0,1,0,0|2,0,0]=4 1102 B6R1.2 NC1=CN=CN1 MCULE-8873453977 [1,0,0,1,0,0|2,0,0]=4 1103 B6R1.2 NC1=CN=CN1 MCULE-9206811415 [1,0,0,1,0,0|2,0,0]=4 1104 B6R1.2 NC1=NC=CN1 MCULE-4937045321 [1,0,0,1,0,0|1,0,1]=4 1105 B6R1.2 NC1=NC=CN1 MCULE-6371804569 [1,0,0,1,0,0|1,0,1]=4 1106 B6R1.2 NC1=NC=CN1 MCULE-7485953374 [1,0,0,1,0,0|1,0,1]=4 1107 B6R1.2 NC1=NC=CN1 MCULE-9607974759 [1,0,0,1,0,0|1,0,1]=4 1108 B6R1.2 NC1=NCCN1 MCULE-1788173657 [1,0,0,1,0,0|1,0,1]=4 1109 B6R1.2 NC1=NCCN1 MCULE-9804694628 [1,0,0,1,0,0|1,0,1]=4 1110 B6R1.2 O=C1C=CCC1 MCULE-1844779047 [1,0,0,1,0,0|2,0,0]=4 1111 B6R1.2 O=C1C=CCN1 MCULE-4338701003 [1,0,0,1,0,0|1,1,0]=4 1112 B6R1.2 O=C1C=CNN1 MCULE-8045056316 [1,0,0,1,0,0|2,0,0]=4 1113 B6R1.2 O=C1C=CSC1 MCULE-6580304664 [1,0,0,1,0,0|1,0,1]=4 1114 B6R1.2 O=C1CC=CC1 MCULE-7606670114 [1,0,0,1,0,0|2,0,0]=4 1115 B6R1.2 O=C1CC=NN1 MCULE-1672455504 [1,0,0,1,0,0|2,0,0]=4 1116 B6R1.2 O=C1CCCN1 MCULE-3061780794 [1,0,0,1,0,0|1,0,1]=4 1117 B6R1.2 O=C1CCNC1 MCULE-2947789259 [1,0,0,1,0,0|1,0,1]=4 1118 B6R1.2 O=C1CCNC1 MCULE-7192595052 [1,0,0,1,0,0|1,0,1]=4 1119 B6R1.2 O=C1CCNN1 MCULE-7030953666 [1,0,0,1,0,0|2,0,0]=4 1120 B6R1.2 O=C1CCON1 MCULE-6799359324 [1,0,0,1,0,0|2,0,0]=4 1121 B6R1.2 O=C1CC[NH2+]N1 MCULE-5327505055 [1,0,0,1,0,0|2,0,0]=4 1122 B6R1.2 O=C1CNCN1 MCULE-2645891847 [1,0,0,1,0,0|0,0,1]=3 1123 B6R1.2 O=C1CNCN1 MCULE-9269137129 [1,0,0,1,0,0|0,0,1]=3 1124 B6R1.2 O=C1CSCN1 MCULE-3946660854 [1,0,0,1,0,0|0,0,2]=4 1125 B6R1.2 O=C1NC=CN1 MCULE-6249170076 [1,0,0,1,0,0|0,1,1]=4 1126 B6R1.2 O=C1NC=CO1 MCULE-4371023805 [1,0,0,1,0,0|2,0,0]=4 1127 B6R1.2 O=C1NC=CS1 MCULE-2039347995 [1,0,0,1,0,0|2,0,0]=4 1128 B6R1.2 O=C1NC=NN1 MCULE-8685001700 [1,0,0,1,0,0|1,0,1]=4 1129 B6R1.2 O=C1NCCN1 MCULE-9806791551 [1,0,0,1,0,0|0,1,1]=4 1130 B6R1.2 S=C1CCCN1 MCULE-1089290822 [1,0,0,1,0,0|1,0,1]=4 1131 B6R1.2 S=C1NC=CO1 MCULE-6706918798 [1,0,0,1,0,0|1,0,1]=4 1132 B6R1.2 S=C1NCCN1 MCULE-3300710815 [1,0,0,1,0,0|0,0,1]=3 1133 B6R1.5 C=C1CC(=O)O1 MCULE-7149487095 [1,0,0,1,0,0|2,0,0]=4 1134 B6R1.5 CC1CC(=O)N1 MCULE-6139592633 [1,0,0,1,0,0|1,0,1]=4 1135 B6R1.5 NC1CC(=O)C1 MCULE-3450860282 [1,0,0,1,0,0|1,0,1]=4 1136 B6R1.5 NC1CC(=O)C1 MCULE-5974961836 [1,0,0,1,0,0|1,0,1]=4 1137 B6R1.11 NC(=S)C1CC1 MCULE-7304936539 [1,0,0,1,0,0|1,0,1]=4 1138 B6R1.4 NC1CCC1=O MCULE-3868209809 [0,0,0,1,1,0|1,0,1]=4 1139 B6R1.4 NC1CCC1=O MCULE-9741389143 [0,0,0,1,1,0|1,0,1]=4 1140 B6R1.4 NN1CCC1=O MCULE-6200802911 [0,0,0,1,1,0|2,0,0]=4 1141 B6R1.4 NN1CCC1=O MCULE-8249778821 [0,0,0,1,1,0|2,0,0]=4 1142 B8R1.3 C1(CNC(=O)CN1)C MCULE-9891046463 [0,0,0,1,0,1|1,0,1]=4 1143 B8R1.3 CC1=NNC(=O)CC1 MCULE-3548202908 [0,0,0,1,0,1|2,0,0]=4 1144 B8R1.3 CC1CNC(=O)CN1 MCULE-2050820306 [0,0,0,1,0,1|1,0,1]=4 1145 B8R1.3 CC1CNC(=O)CN1 MCULE-9509469557 [0,0,0,1,0,1|1,0,1]=4 1146 B8R1.3 CC1NNC(=S)NN1 MCULE-3138338387 [0,0,0,1,0,1|1,0,1]=4 1147 B8R1.3 C[C@@H]1CNC(=O)CN1 MCULE-1088991552 [0,0,0,1,0,1|1,0,1]=4 1148 B8R1.3 C[C@@H]1CNC(=O)CN1 MCULE-1952714815 [0,0,0,1,0,1|1,0,1]=4 1149 B8R1.3 C[C@@H]1CNC(=O)CN1 MCULE-3350871833 [0,0,0,1,0,1|1,0,1]=4 1150 B8R1.3 C[C@@H]1CNC(=O)CN1 MCULE-9637742350 [0,0,0,1,0,1|1,0,1]=4 1151 B8R1.3 C[C@H]1CNC(=O)CN1 MCULE-3373819559 [0,0,0,1,0,1|1,0,1]=4 1152 B8R1.3 C[C@H]1CNC(=O)CN1 MCULE-4486681671 [0,0,0,1,0,1|1,0,1]=4 1153 B8R1.3 C[C@H]1CNC(=O)CN1 MCULE-7180229103 [0,0,0,1,0,1|1,0,1]=4 1154 B8R1.3 C[C@H]1CNC(=O)CN1 MCULE-9466864223 [0,0,0,1,0,1|1,0,1]=4 1155 B8R1.3 NC1=CNC(=O)N=C1 MCULE-2442673142 [0,0,0,1,0,1|2,0,0]=4 1156 B8R1.3 NC1CCC(=O)NC1 MCULE-2677675224 [0,0,0,1,0,1|1,0,1]=4 1157 B8R1.3 NC1CCC(=O)NC1 MCULE-8711968877 [0,0,0,1,0,1|1,0,1]=4 1158 B8R1.3 NC1CCC(=O)NC1 MCULE-8915391016 [0,0,0,1,0,1|1,0,1]=4 1159 B8R1.3 N[C@@H]1CCC(=O)NC1 MCULE-5372893548 [0,0,0,1,0,1|1,0,1]=4 1160 B8R1.3 N[C@@H]1CCC(=O)NC1 MCULE-6411408704 [0,0,0,1,0,1|1,0,1]=4 1161 B8R1.3 N[C@@H]1CCC(=O)NC1 MCULE-6771263407 [0,0,0,1,0,1|1,0,1]=4 1162 B8R1.3 N[C@@H]1CCC(=O)NC1 MCULE-9035818807 [0,0,0,1,0,1|1,0,1]=4 1163 B8R1.3 N[C@H]1CCC(=O)NC1 MCULE-1921494480 [0,0,0,1,0,1|1,0,1]=4 1164 B8R1.3 N[C@H]1CCC(=O)NC1 MCULE-4843708987 [0,0,0,1,0,1|1,0,1]=4 1165 B8R1.3 N[C@H]1CCC(=O)NC1 MCULE-6599794889 [0,0,0,1,0,1|1,0,1]=4 1166 B8R1.3 N[C@H]1CCC(=O)NC1 MCULE-7112568050 [0,0,0,1,0,1|1,0,1]=4 1167 B8R1.3 N[C@H]1CCC(=O)NC1 MCULE-9053885307 [0,0,0,1,0,1|1,0,1]=4 1168 B8R1.3 N[C@H]1CCC(=O)NC1 MCULE-9780118077 [0,0,0,1,0,1|1,0,1]=4 1169 B8R1.3 O=C1CCC(=O)NC1 MCULE-8297515560 [0,0,0,1,0,1|1,1,0]=4 1170 B8R1.3 O=C1CCC(=O)NN1 MCULE-3404255918 [0,0,0,1,0,1|1,1,0]=4 1171 B8R1.3 O=C1CNC(=O)CN1 MCULE-7134033861 [0,0,0,1,0,1|0,1,0]=3 1172 B8R1.3 O=C1COC(=O)CN1 MCULE-4171313774 [0,0,0,1,0,1|1,1,0]=4 1173 B8R1.3 S=C1NNC(=S)NN1 MCULE-6119727177 [0,0,0,1,0,1|1,1,0]=4 1174 B8R1.20 CC1CC1NC(=S)N MCULE-2224830291 [0,0,0,1,0,1|1,0,1]=4 1175 B8R1.23 C1(CC(=O)N1)C(=O)O MCULE-3416083471 [0,0,0,1,0,1|1,1,0]=4 1176 B8R1.23 CC(=O)N1CC(=O)C1 MCULE-4555368577 [0,0,0,1,0,1|1,1,0]=4 1177 B8R1.23 CC(=O)N1CC(C1)N MCULE-2365148708 [0,0,0,1,0,1|1,0,1]=4 1178 B8R1.23 CC(=O)N1CC(C1)N MCULE-7213807824 [0,0,0,1,0,1|1,0,1]=4 1179 B8R1.23 CC(=O)N1CC(C1)N MCULE-9513131334 [0,0,0,1,0,1|1,0,1]=4 1180 B8R1.23 O=C1CC(N1)C(=O)O MCULE-3167823583 [0,0,0,1,0,1|1,1,0]=4 1181 B8R1.23 O=C1C[C@@H](N1)C(=O)O MCULE-2118093307 [0,0,0,1,0,1|1,1,0]=4 1182 B8R1.23 O=C1C[C@@H](N1)C(=O)O MCULE-7784171286 [0,0,0,1,0,1|1,1,0]=4 1183 B8R1.23 O=C1C[C@H](N1)C(=O)O MCULE-1255798587 [0,0,0,1,0,1|1,1,0]=4 1184 B8R1.23 O=C1C[C@H](N1)C(=O)O MCULE-6947698869 [0,0,0,1,0,1|1,1,0]=4 1185 B8R1.35 NC(=S)NCC1CC1 MCULE-7980551401 [0,0,0,1,0,1|1,0,1]=4 1186 B8R1.51 CC1(CNC(=S)N1)C MCULE-1571486648 [0,0,0,1,0,1|1,0,1]=4 1187 B8R1.1 C1(CCC(=O)N1)CN MCULE-3169700074 [0,1,0,1,0,0|1,0,1]=4 1188 B8R1.1 CC1=CN=C(N1)CN MCULE-6288704075 [0,1,0,1,0,0|2,0,0]=4 1189 B8R1.1 CCC1=CSC(=S)N1 MCULE-3787581352 [0,1,0,1,0,0|2,0,0]=4 1190 B8R1.1 CCC1=NN=C(N1)N MCULE-4540275589 [0,1,0,1,0,0|2,0,0]=4 1191 B8R1.1 CCC1=NNC(=S)O1 MCULE-5215083622 [0,1,0,1,0,0|2,0,0]=4 1192 B8R1.1 CNC1=NC(=O)CS1 MCULE-8138376147 [0,1,0,1,0,0|0,0,2]=4 1193 B8R1.1 CSC1=NC(=O)CN1 MCULE-2550909457 [0,1,0,1,0,0|0,0,2]=4 1194 B8R1.1 NCC1=CNC(=O)N1 MCULE-3321939925 [0,1,0,1,0,0|1,1,0]=4 1195 B8R1.1 NCC1=CNC(=O)N1 MCULE-3888589701 [0,1,0,1,0,0|1,1,0]=4 1196 B8R1.1 NCC1CCC(=O)N1 MCULE-2195138544 [0,1,0,1,0,0|1,0,1]=4 1197 B8R1.1 NCC1CCC(=O)N1 MCULE-5064964559 [0,1,0,1,0,0|1,0,1]=4 1198 B8R1.1 NCC1CCC(=O)N1 MCULE-9686422256 [0,1,0,1,0,0|1,0,1]=4 1199 B8R1.1 NCC1CCC(=O)N1 MCULE-9973113927 [0,1,0,1,0,0|1,0,1]=4 1200 B8R1.1 NC[C@@H]1CCC(=O)N1 MCULE-5772277021 [0,1,0,1,0,0|1,0,1]=4 1201 B8R1.1 NC[C@@H]1CCC(=O)N1 MCULE-6147061481 [0,1,0,1,0,0|1,0,1]=4 1202 B8R1.1 NC[C@@H]1CCC(=O)N1 MCULE-7644508115 [0,1,0,1,0,0|1,0,1]=4 1203 B8R1.1 NC[C@@H]1CCC(=O)N1 MCULE-7782108755 [0,1,0,1,0,0|1,0,1]=4 1204 B8R1.1 NC[C@H]1CCC(=O)N1 MCULE-1485902199 [0,1,0,1,0,0|1,0,1]=4 1205 B8R1.1 NC[C@H]1CCC(=O)N1 MCULE-1751255260 [0,1,0,1,0,0|1,0,1]=4 1206 B8R1.1 NC[C@H]1CCC(=O)N1 MCULE-3641870628 [0,1,0,1,0,0|1,0,1]=4 1207 B8R1.1 NC[C@H]1CCC(=O)N1 MCULE-9839264859 [0,1,0,1,0,0|1,0,1]=4 1208 B8R1.1 NNC1=NCC(=O)N1 MCULE-1430423645 [0,1,0,1,0,0|1,0,0]=3 1209 B8R1.1 NNC1=NCC(=O)N1 MCULE-5220093727 [0,1,0,1,0,0|1,0,0]=3 1210 B8R1.1 O=C1CS/C(=N/O)/N1 MCULE-9299576383 [0,1,0,1,0,0|0,0,2]=4 1211 B8R1.1 O=C1NN=C(N1)CCl MCULE-2655378083 [0,1,0,1,0,0|1,1,0]=4 1212 B8R1.1 O=C1NN=C(N1)CS MCULE-7569672257 [0,1,0,1,0,0|1,1,0]=4 1213 B8R1.1 O=CC1=CNC(=O)N1 MCULE-9682504518 [0,1,0,1,0,0|0,1,1]=4 1214 B8R1.1 OCC1=NC(=S)NN1 MCULE-8975485522 [0,1,0,1,0,0|1,0,1]=4 1215 B8R1.4 C1(CNCC(=O)N1)C MCULE-3246707428 [0,1,0,1,0,0|1,0,1]=4 1216 B8R1.4 CC1=CC(=S)NC=N1 MCULE-6467145460 [0,1,0,1,0,0|2,0,0]=4 1217 B8R1.4 CC1=CC=CC(=S)N1 MCULE-5057123376 [0,1,0,1,0,0|2,0,0]=4 1218 B8R1.4 CC1CNCC(=O)N1 MCULE-5727167900 [0,1,0,1,0,0|1,0,1]=4 1219 B8R1.4 CC1CNCC(=O)N1 MCULE-9599432640 [0,1,0,1,0,0|1,0,1]=4 1220 B8R1.4 C[C@@H]1CNCC(=O)N1 MCULE-3378865379 [0,1,0,1,0,0|1,0,1]=4 1221 B8R1.4 C[C@@H]1CNCC(=O)N1 MCULE-5740698320 [0,1,0,1,0,0|1,0,1]=4 1222 B8R1.4 C[C@@H]1CNCC(=O)N1 MCULE-7692987274 [0,1,0,1,0,0|1,0,1]=4 1223 B8R1.4 C[C@@H]1CNCC(=O)N1 MCULE-8897582822 [0,1,0,1,0,0|1,0,1]=4 1224 B8R1.4 C[C@H]1CNCC(=O)N1 MCULE-3182538973 [0,1,0,1,0,0|1,0,1]=4 1225 B8R1.4 C[C@H]1CNCC(=O)N1 MCULE-3207104811 [0,1,0,1,0,0|1,0,1]=4 1226 B8R1.4 C[C@H]1CNCC(=O)N1 MCULE-5895954143 [0,1,0,1,0,0|1,0,1]=4 1227 B8R1.4 C[C@H]1CNCC(=O)N1 MCULE-6535652978 [0,1,0,1,0,0|1,0,1]=4 1228 B8R1.4 NC1=CC(=O)CCC1 MCULE-3362548403 [0,1,0,1,0,0|2,0,0]=4 1229 B8R1.4 NC1=CC(=O)COC1 MCULE-7765608843 [0,1,0,1,0,0|1,1,0]=4 1230 B8R1.4 NC1=CN=CC(=O)N1 MCULE-3785264411 [0,1,0,1,0,0|1,0,1]=4 1231 B8R1.4 NC1=NC=CC(=O)N1 MCULE-7474139826 [0,1,0,1,0,0|1,0,1]=4 1232 B8R1.4 NC1=NC=NC(=O)N1 MCULE-2741288744 [0,1,0,1,0,0|1,0,1]=4 1233 B8R1.4 NC1=NCCC(=O)N1 MCULE-1616157929 [0,1,0,1,0,0|1,0,0]=3 1234 B8R1.4 O=C1C=CNC(=[Se])N1 MCULE-7954757005 [0,1,0,1,0,0|0,1,1]=4 1235 B8R1.4 O=C1CCCC(=O)N1 MCULE-7505150579 [0,1,0,1,0,0|1,1,0]=4 1236 B8R1.4 O=C1CCNC(=O)C1 MCULE-7662080105 [0,1,0,1,0,0|1,1,0]=4 1237 B8R1.4 O=C1CCNC(=O)N1 MCULE-8986910982 [0,1,0,1,0,0|0,1,0]=3 1238 B8R1.4 O=C1CCNC(=O)O1 MCULE-8298722634 [0,1,0,1,0,0|1,1,0]=4 1239 B8R1.4 O=C1CNCC(=O)C1 MCULE-9390215509 [0,1,0,1,0,0|1,1,0]=4 1240 B8R1.4 O=C1CNCC(=O)C1 MCULE-9631657912 [0,1,0,1,0,0|1,1,0]=4 1241 B8R1.4 O=C1CNCC(=O)N1 MCULE-2684405909 [0,1,0,1,0,0|0,1,0]=3 1242 B8R1.4 O=C1CNCC(=O)N1 MCULE-8918860650 [0,1,0,1,0,0|0,1,0]=3 1243 B8R1.4 O=C1COCC(=O)N1 MCULE-2640203723 [0,1,0,1,0,0|1,1,0]=4 1244 B8R1.4 O=C1CSCC(=O)N1 MCULE-5124635458 [0,1,0,1,0,0|1,0,1]=4 1245 B8R1.4 O=C1N=CCC(=S)N1 MCULE-8510009070 [0,1,0,1,0,0|1,0,1]=4 1246 B8R1.4 O=C1N=CNC(=O)N1 MCULE-2256730820 [0,1,0,1,0,0|0,1,1]=4 1247 B8R1.4 O=C1NC(=S)CCS1 MCULE-5745642312 [0,1,0,1,0,0|1,0,0]=3 1248 B8R1.4 O=C1NCNC(=O)N1 MCULE-7478557250 [0,1,0,1,0,0|0,1,0]=3 1249 B8R1.4 O=C1NN=CC(=S)N1 MCULE-8520073366 [0,1,0,1,0,0|1,0,1]=4 1250 B8R1.4 S=C1C=NNC(=S)N1 MCULE-7897746903 [0,1,0,1,0,0|0,1,1]=4 1251 B8R1.4 S=C1CCSC(=S)N1 MCULE-9772893889 [0,1,0,1,0,0|1,1,0]=4 1252 B8R1.18 CC1=C(NC(=N1)N)C MCULE-1919960152 [0,1,0,1,0,0|2,0,0]=4 1253 B8R1.18 CC1=C(NC(=N1)N)C MCULE-6891118020 [0,1,0,1,0,0|2,0,0]=4 1254 B8R1.18 CC1=C(NC(=O)N1)C MCULE-1459949338 [0,1,0,1,0,0|1,1,0]=4 1255 B8R1.18 CC1=C(NC(=S)N1)C MCULE-2671807084 [0,1,0,1,0,0|1,0,0]=3 1256 B8R1.18 CC1=CC(=O)N(N1)C MCULE-5732152928 [0,1,0,1,0,0|2,0,0]=4 1257 B8R1.18 CC1=CC(=O)NC1=O MCULE-3109096484 [0,1,0,1,0,0|1,1,0]=4 1258 B8R1.18 CC1=CN(C(=O)N1)C MCULE-6864157223 [0,1,0,1,0,0|1,1,0]=4 1259 B8R1.18 CC1=NC(=C(N1)Cl)N MCULE-5940297748 [0,1,0,1,0,0|2,0,0]=4 1260 B8R1.18 CC1=NC(=C(N1)Cl)N MCULE-7482197715 [0,1,0,1,0,0|2,0,0]=4 1261 B8R1.18 CC1=NN(C(=S)N1)C MCULE-2121193226 [0,1,0,1,0,0|1,0,0]=3 1262 B8R1.18 CC1CC(=O)NC1=O MCULE-2962850802 [0,1,0,1,0,0|1,1,0]=4 1263 B8R1.18 CC1NC(=O)CC1=O MCULE-3973500509 [0,1,0,1,0,0|1,1,0]=4 1264 B8R1.18 CC1NC(=O)NC1=O MCULE-4619149186 [0,1,0,1,0,0|0,1,0]=3 1265 B8R1.18 CC1NC(=O)OC1=O MCULE-5437194910 [0,1,0,1,0,0|1,1,0]=4 1266 B8R1.18 CC1NC(=O)OC1=O MCULE-6711218397 [0,1,0,1,0,0|1,1,0]=4 1267 B8R1.18 CC1NC(=S)NC1=O MCULE-8518769044 [0,1,0,1,0,0|0,0,0]=2 1268 B8R1.18 CC1OC(=O)NC1=O MCULE-8191598152 [0,1,0,1,0,0|1,1,0]=4 1269 B8R1.18 CC1SC(=NC1=O)N MCULE-7605573631 [0,1,0,1,0,0|0,0,2]=4 1270 B8R1.18 CC1SC(=O)NC1=O MCULE-9249450232 [0,1,0,1,0,0|1,0,1]=4 1271 B8R1.18 CN1CC(=O)CC1=O MCULE-9941627549 [0,1,0,1,0,0|1,1,0]=4 1272 B8R1.18 CN1CC(=O)N=C1N MCULE-2231869894 [0,1,0,1,0,0|1,0,1]=4 1273 B8R1.18 CN1CC(=O)NC1=N MCULE-7608108871 [0,1,0,1,0,0|1,0,0]=3 1274 B8R1.18 CN1CC(=O)NC1=N MCULE-8832153777 [0,1,0,1,0,0|1,0,0]=3 1275 B8R1.18 CN1CC(=O)NC1=O MCULE-6246850639 [0,1,0,1,0,0|0,1,0]=3 1276 B8R1.18 CN1CC(=O)NC1=S MCULE-6474760923 [0,1,0,1,0,0|0,0,0]=2 1277 B8R1.18 CN1CC(=O)OC1=O MCULE-7537862268 [0,1,0,1,0,0|1,1,0]=4 1278 B8R1.18 CN1N=C(NC1=O)Cl MCULE-4149690737 [0,1,0,1,0,0|1,0,1]=4 1279 B8R1.18 CN1NC(=CC1=O)N MCULE-9402016986 [0,1,0,1,0,0|2,0,0]=4 1280 B8R1.18 CN1NC(=N)CC1=O MCULE-1189353766 [0,1,0,1,0,0|2,0,0]=4 1281 B8R1.18 CN1OC(=CC1=O)N MCULE-9415679355 [0,1,0,1,0,0|1,1,0]=4 1282 B8R1.18 C[C@@H]1CC(=O)NC1=O MCULE-9043552998 [0,1,0,1,0,0|1,1,0]=4 1283 B8R1.18 C[C@@H]1NC(=O)NC1=O MCULE-1126054848 [0,1,0,1,0,0|0,1,0]=3 1284 B8R1.18 C[C@@H]1NC(=O)OC1=O MCULE-3338806314 [0,1,0,1,0,0|1,1,0]=4 1285 B8R1.18 C[C@@H]1NC(=O)OC1=O MCULE-9892061668 [0,1,0,1,0,0|1,1,0]=4 1286 B8R1.18 C[C@H]1NC(=O)NC1=O MCULE-5443325319 [0,1,0,1,0,0|0,1,0]=3 1287 B8R1.18 C[C@H]1NC(=O)OC1=O MCULE-2658468572 [0,1,0,1,0,0|1,1,0]=4 1288 B8R1.18 C[C@H]1NC(=O)OC1=O MCULE-9205776561 [0,1,0,1,0,0|1,1,0]=4 1289 B8R1.18 NC1CC(=O)NC1=O MCULE-6692452440 [0,1,0,1,0,0|0,1,0]=3 1290 B8R1.18 NC1CC(=O)NC1=O MCULE-8447671567 [0,1,0,1,0,0|0,1,0]=3 1291 B8R1.18 NC1CC(=O)OC1=O MCULE-1406790351 [0,1,0,1,0,0|1,1,0]=4 1292 B8R1.18 NC1CC(=O)OC1=O MCULE-2807590870 [0,1,0,1,0,0|1,1,0]=4 1293 B8R1.18 NC1SC(=O)NC1=O MCULE-8460816262 [0,1,0,1,0,0|1,0,1]=4 1294 B8R1.18 NN1CC(=O)NC1=O MCULE-6319474334 [0,1,0,1,0,0|0,1,0]=3 1295 B8R1.18 NN1CC(=O)NC1=O MCULE-7370713803 [0,1,0,1,0,0|0,1,0]=3 1296 B8R1.18 N[C@@H]1CC(=O)NC1=O MCULE-1292090753 [0,1,0,1,0,0|0,1,0]=3 1297 B8R1.18 N[C@@H]1CC(=O)NC1=O MCULE-9676397018 [0,1,0,1,0,0|0,1,0]=3 1298 B8R1.18 N[C@@H]1CC(=O)OC1=O MCULE-1937927503 [0,1,0,1,0,0|1,1,0]=4 1299 B8R1.18 N[C@@H]1CC(=O)OC1=O MCULE-2080587685 [0,1,0,1,0,0|1,1,0]=4 1300 B8R1.18 N[C@@H]1CC(=O)OC1=O MCULE-8793349665 [0,1,0,1,0,0|1,1,0]=4 1301 B8R1.18 N[C@@H]1CC(=O)OC1=O MCULE-9640337170 [0,1,0,1,0,0|1,1,0]=4 1302 B8R1.18 N[C@H]1CC(=O)NC1=O MCULE-1052396743 [0,1,0,1,0,0|0,1,0]=3 1303 B8R1.18 N[C@H]1CC(=O)NC1=O MCULE-1965803095 [0,1,0,1,0,0|0,1,0]=3 1304 B8R1.18 N[C@H]1CC(=O)OC1=O MCULE-3191926438 [0,1,0,1,0,0|1,1,0]=4 1305 B8R1.18 N[C@H]1CC(=O)OC1=O MCULE-4503342222 [0,1,0,1,0,0|1,1,0]=4 1306 B8R1.18 O=C1NC(=O)C(=O)N1 MCULE-1683872231 [0,1,0,1,0,0|0,1,1]=4 1307 B8R1.18 O=C1NC(=O)C(N1)Br MCULE-9177153028 [0,1,0,1,0,0|0,1,0]=3 1308 B8R1.18 O=C1NC(=O)C(S1)Br MCULE-7635505691 [0,1,0,1,0,0|1,0,1]=4 1309 B8R1.18 OC1NC(=S)NC1O MCULE-6898610525 [0,1,0,1,0,0|0,0,2]=4 1310 B8R1.34 CC(=O)NC1CNC1 MCULE-8262716671 [0,1,0,1,0,0|1,0,1]=4 1311 B8R1.34 CC(=O)NC1CNC1 MCULE-9475906960 [0,1,0,1,0,0|1,0,1]=4 1312 B8R1.34 NC(=S)NC1CCC1 MCULE-2018899467 [0,1,0,1,0,0|1,0,1]=4 1313 B8R1.40 CNC(=S)NC1CC1 MCULE-3030208665 [0,1,0,1,0,0|1,0,1]=4 1314 B8R1.40 NNC(=S)NC1CC1 MCULE-8511917897 [0,1,0,1,0,0|1,0,1]=4 1315 B8R1.50 CC1=CSC(=S)N1C MCULE-8922061597 [0,1,0,1,0,0|2,0,0]=4 1316 B8R1.50 CC1=CSC(=S)N1O MCULE-7951238450 [0,1,0,1,0,0|2,0,0]=4 1317 B8R1.50 CC1=NC=C(N1C)N MCULE-7575940424 [0,1,0,1,0,0|2,0,0]=4 1318 B8R1.50 CC1=NN=C(N1C)N MCULE-6111251776 [0,1,0,1,0,0|2,0,0]=4 1319 B8R1.50 CC1=NN=C(N1C)N MCULE-6985325149 [0,1,0,1,0,0|2,0,0]=4 1320 B8R1.50 CC1=NN=C(N1N)N MCULE-2910385012 [0,1,0,1,0,0|2,0,0]=4 1321 B8R1.50 CC1=NN=C(N1N)N MCULE-3054955774 [0,1,0,1,0,0|2,0,0]=4 1322 B8R1.50 CC1=NNC(=O)N1C MCULE-7430385178 [0,1,0,1,0,0|1,1,0]=4 1323 B8R1.50 CN1C(=O)CCC1=O MCULE-6726005566 [0,1,0,1,0,0|1,1,0]=4 1324 B8R1.50 CN1C(=O)CNC1=O MCULE-8997643894 [0,1,0,1,0,0|0,1,0]=3 1325 B8R1.50 CN1C(=O)CNC1=S MCULE-6633485185 [0,1,0,1,0,0|0,0,0]=2 1326 B8R1.50 CN1C(=O)COC1=O MCULE-1190604947 [0,1,0,1,0,0|1,1,0]=4 1327 B8R1.50 CN1C(=O)CSC1=O MCULE-8837313577 [0,1,0,1,0,0|1,0,1]=4 1328 B8R1.50 CN1C(=O)CSC1=S MCULE-8742608574 [0,1,0,1,0,0|1,0,0]=3 1329 B8R1.50 CN1C(=O)NNC1=O MCULE-9990504316 [0,1,0,1,0,0|1,1,0]=4 1330 B8R1.50 CN1C(=S)NNC1=S MCULE-6689128933 [0,1,0,1,0,0|1,1,0]=4 1331 B8R1.50 NN1C(=O)CCC1=O MCULE-4432056181 [0,1,0,1,0,0|1,1,0]=4 1332 B8R1.50 NN1C(=O)CCC1=O MCULE-8224510852 [0,1,0,1,0,0|1,1,0]=4 1333 B8R1.50 NN1C(=O)CNC1=O MCULE-3172416594 [0,1,0,1,0,0|0,1,0]=3 1334 B8R1.50 NN1C(=O)CSC1=S MCULE-7853752310 [0,1,0,1,0,0|1,0,0]=3 1335 B8R1.50 NN1C(=O)NNC1=O MCULE-6234762498 [0,1,0,1,0,0|1,1,0]=4 1336 B8R1.50 O=C1CCC(=O)N1Br MCULE-6561724377 [0,1,0,1,0,0|1,1,0]=4 1337 B8R1.50 O=C1CCC(=O)N1Cl MCULE-3093539402 [0,1,0,1,0,0|1,1,0]=4 1338 B8R1.50 O=C1CCC(=O)N1I MCULE-8261967194 [0,1,0,1,0,0|1,1,0]=4 1339 B8R1.50 O=C1CCC(=O)N1O MCULE-5478278340 [0,1,0,1,0,0|1,1,0]=4 1340 B8R1.54 CN(C(=S)N)C1CC1 MCULE-8780812436 [0,1,0,1,0,0|1,0,1]=4 1341 B8R0.28 C=C(C)C=NNC(=O)C MCULE-6760285552 [0,0,0,0,0,2|2,0,0]=4 1342 B8R0.28 C=C(C)C=NNC(=S)N MCULE-8665110858 [0,0,0,0,0,2|1,0,0]=3 1343 B8R0.28 CC(=CCNC(=N)N)C MCULE-7530787437 [0,0,0,0,0,2|2,0,0]=4 1344 B8R0.28 CC(=CCNC(=N)N)C MCULE-8656937078 [0,0,0,0,0,2|2,0,0]=4 1345 B8R0.28 CC(=CCNC(=N)N)C MCULE-9564729624 [0,0,0,0,0,2|2,0,0]=4 1346 B8R0.28 CC(=O)CCCC(=O)N MCULE-8753142022 [0,0,0,0,0,2|1,1,0]=4 1347 B8R0.28 CC(=O)NCCC(=O)N MCULE-6090839432 [0,0,0,0,0,2|0,1,0]=3 1348 B8R0.28 CC(=O)NCCC(=O)O MCULE-8867286578 [0,0,0,0,0,2|1,1,0]=4 1349 B8R0.28 CC(=O)NCNC(=O)C MCULE-3469911833 [0,0,0,0,0,2|1,1,0]=4 1350 B8R0.28 CC(C)C=NNC(=S)N MCULE-7792512879 [0,0,0,0,0,2|1,0,1]=4 1351 B8R0.28 CC(C)CCNC(=S)N MCULE-3531703173 [0,0,0,0,0,2|1,0,1]=4 1352 B8R0.28 CN(C)CCNC(=S)N MCULE-5710279007 [0,0,0,0,0,2|2,0,0]=4 1353 B8R0.28 CN(C)CCNC(=S)N MCULE-5969623703 [0,0,0,0,0,2|2,0,0]=4 1354 B8R0.28 N=C(N)NCCC(=O)O MCULE-6783592689 [0,0,0,0,0,2|2,0,0]=4 1355 B8R0.28 NC(=O)CNCC(=O)N MCULE-7451569201 [0,0,0,0,0,2|1,1,0]=4 1356 B8R0.28 NC(=O)CNCC(=O)O MCULE-2816922286 [0,0,0,0,0,2|1,1,0]=4 1357 B8R0.28 NC(=O)NC=CC(=O)O MCULE-5004188805 [0,0,0,0,0,2|1,1,0]=4 1358 B8R0.28 NC(=O)NCCC(=O)O MCULE-3799706782 [0,0,0,0,0,2|1,1,0]=4 1359 B8R0.28 NC(=O)NCNC(=O)N MCULE-2324881355 [0,0,0,0,0,2|1,1,0]=4 1360 B8R0.28 NC(=O)NN=CC(=O)O MCULE-1954165276 [0,0,0,0,0,2|1,1,0]=4 1361 B8R0.28 NC(=S)SCCC(=O)O MCULE-1371836153 [0,0,0,0,0,2|2,0,0]=4 1362 B3R0.1 C/C=C/Br MCULE-4076369660 [3,0,0,0,0,0|1,0,0]=4 1363 B3R0.1 C=CC=O MCULE-2104890669 [3,0,0,0,0,0|1,0,0]=4 1364 B3R0.1 CC=CBr MCULE-2098755460 [3,0,0,0,0,0|1,0,0]=4 1365 B3R0.1 CC=CCl MCULE-9225887510 [3,0,0,0,0,0|1,0,0]=4 1366 B3R0.1 CCNN MCULE-4753127904 [3,0,0,0,0,0|0,0,1]=4 1367 B3R0.1 CCNN MCULE-7630363192 [3,0,0,0,0,0|0,0,1]=4 1368 B3R0.1 CCNN MCULE-8402230944 [3,0,0,0,0,0|0,0,1]=4 1369 B3R0.1 CNC=O MCULE-4739122677 [3,0,0,0,0,0|0,0,1]=4 1370 B3R0.1 CNC=S MCULE-1018523469 [3,0,0,0,0,0|0,0,0]=3 1371 B3R0.1 NNC=O MCULE-6986968107 [3,0,0,0,0,0|0,0,0]=3 1372 B3R0.1 NOC=O MCULE-4489199776 [3,0,0,0,0,0|1,0,0]=4 1373 B3R0.1 O=CC=O MCULE-3212938778 [3,0,0,0,0,0|0,1,0]=4 1374 B3R0.2 C=C(C)Br MCULE-7805530064 [3,0,0,0,0,0|1,0,0]=4 1375 B3R0.2 C=C(C)C MCULE-5640095130 [3,0,0,0,0,0|1,0,0]=4 1376 B3R0.2 C=C(C)Cl MCULE-1752401095 [3,0,0,0,0,0|1,0,0]=4 1377 B3R0.2 C=C(C)F MCULE-3213198231 [3,0,0,0,0,0|1,0,0]=4 1378 B3R0.2 CC(=N)N MCULE-3235425606 [3,0,0,0,0,0|1,0,0]=4 1379 B3R0.2 CC(=N)N MCULE-3546679379 [3,0,0,0,0,0|1,0,0]=4 1380 B3R0.2 CC(=N)N MCULE-3597638887 [3,0,0,0,0,0|1,0,0]=4 1381 B3R0.2 CC(=N)N MCULE-9831274654 [3,0,0,0,0,0|1,0,0]=4 1382 B3R0.2 CC(=O)Br MCULE-4892265063 [3,0,0,0,0,0|1,0,0]=4 1383 B3R0.2 CC(=O)C MCULE-6679625040 [3,0,0,0,0,0|0,0,1]=4 1384 B3R0.2 CC(=O)Cl MCULE-9041746362 [3,0,0,0,0,0|1,0,0]=4 1385 B3R0.2 CC(=O)I MCULE-4812718701 [3,0,0,0,0,0|1,0,0]=4 1386 B3R0.2 CC(=O)N MCULE-9280264861 [3,0,0,0,0,0|0,0,0]=3 1387 B3R0.2 CC(=O)O MCULE-1502330578 [3,0,0,0,0,0|0,1,0]=4 1388 B3R0.2 CC(=O)O MCULE-5514028500 [3,0,0,0,0,0|0,1,0]=4 1389 B3R0.2 CC(=O)O MCULE-5942589566 [3,0,0,0,0,0|0,1,0]=4 1390 B3R0.2 CC(=O)O MCULE-6780070129 [3,0,0,0,0,0|0,1,0]=4 1391 B3R0.2 CC(=O)O MCULE-8295936189 [3,0,0,0,0,0|0,1,0]=4 1392 B3R0.2 CC(=O)O MCULE-9103972283 [3,0,0,0,0,0|0,1,0]=4 1393 B3R0.2 CC(=O)O MCULE-9900518424 [3,0,0,0,0,0|0,1,0]=4 1394 B3R0.2 CC(=O)S MCULE-5769447035 [3,0,0,0,0,0|0,0,1]=4 1395 B3R0.2 CC(=O)[O-] MCULE-2314460022 [3,0,0,0,0,0|0,1,0]=4 1396 B3R0.2 CC(=O)[O-] MCULE-2960771771 [3,0,0,0,0,0|0,1,0]=4 1397 B3R0.2 CC(=O)[O-] MCULE-5334052410 [3,0,0,0,0,0|0,1,0]=4 1398 B3R0.2 CC(=O)[O-] MCULE-5482908386 [3,0,0,0,0,0|0,1,0]=4 1399 B3R0.2 CC(=O)[O-] MCULE-9723570182 [3,0,0,0,0,0|0,1,0]=4 1400 B3R0.2 CC(=O)[O-] MCULE-9910426896 [3,0,0,0,0,0|0,1,0]=4 1401 B3R0.2 CC(=S)N MCULE-4635097605 [3,0,0,0,0,0|0,0,0]=3 1402 B3R0.2 CC(=S)[O-] MCULE-1878530758 [3,0,0,0,0,0|0,0,1]=4 1403 B3R0.2 CS(=O)N MCULE-5162949591 [3,0,0,0,0,0|1,0,0]=4 1404 B3R0.2 N=C(N)N MCULE-1152750770 [3,0,0,0,0,0|1,0,0]=4 1405 B3R0.2 N=C(N)N MCULE-1411566696 [3,0,0,0,0,0|1,0,0]=4 1406 B3R0.2 N=C(N)N MCULE-4266731066 [3,0,0,0,0,0|1,0,0]=4 1407 B3R0.2 N=C(N)N MCULE-5921771392 [3,0,0,0,0,0|1,0,0]=4 1408 B3R0.2 N=C(N)N MCULE-6036914599 [3,0,0,0,0,0|1,0,0]=4 1409 B3R0.2 N=C(N)N MCULE-6164013415 [3,0,0,0,0,0|1,0,0]=4 1410 B3R0.2 N=C(N)N MCULE-9649225484 [3,0,0,0,0,0|1,0,0]=4 1411 B3R0.2 NC(=O)N MCULE-3224868954 [3,0,0,0,0,0|0,1,0]=4 1412 B3R0.2 NC(=O)N MCULE-8513891094 [3,0,0,0,0,0|0,1,0]=4 1413 B3R0.2 NC(=O)O MCULE-1579038047 [3,0,0,0,0,0|0,1,0]=4 1414 B3R0.2 NC(=O)O MCULE-3232812015 [3,0,0,0,0,0|0,1,0]=4 1415 B3R0.2 NC(=S)N MCULE-5046264236 [3,0,0,0,0,0|0,0,0]=3 1416 B3R0.2 NC(=S)S MCULE-6182511253 [3,0,0,0,0,0|0,1,0]=4 1417 B3R0.2 NC(=S)[S-] MCULE-1680327465 [3,0,0,0,0,0|0,1,0]=4 1418 B3R0.2 NC(=[Se])N MCULE-3936244532 [3,0,0,0,0,0|0,1,0]=4 1419 B5R0.3 C/C(=C\N)/C=O MCULE-4713460468 [2,1,0,0,0,0|0,0,0]=3 1420 B5R0.3 C/C=C(\C)/C=O MCULE-2818872726 [2,1,0,0,0,0|1,0,0]=4 1421 B5R0.3 C=CC(=O)CC MCULE-7277696617 [2,1,0,0,0,0|1,0,0]=4 1422 B5R0.3 C=CC(=O)NC MCULE-5619481947 [2,1,0,0,0,0|1,0,0]=4 1423 B5R0.3 C=CC(=O)NN MCULE-4327484127 [2,1,0,0,0,0|0,0,1]=4 1424 B5R0.3 C=CC(=O)NN MCULE-4961696321 [2,1,0,0,0,0|0,0,1]=4 1425 B5R0.3 C=CC(=O)OC MCULE-6010665978 [2,1,0,0,0,0|1,0,0]=4 1426 B5R0.3 CC(=CN)C=O MCULE-5507488903 [2,1,0,0,0,0|0,0,0]=3 1427 B5R0.3 CC=C(C)C=O MCULE-9453566957 [2,1,0,0,0,0|1,0,0]=4 1428 B5R0.3 CCC(=O)CN MCULE-1863418812 [2,1,0,0,0,0|0,0,1]=4 1429 B5R0.3 CCC(=O)CN MCULE-5831164340 [2,1,0,0,0,0|0,0,1]=4 1430 B5R0.3 CCC(=O)NC MCULE-5612060170 [2,1,0,0,0,0|0,0,1]=4 1431 B5R0.3 CCC(=O)NN MCULE-1803705917 [2,1,0,0,0,0|0,0,0]=3 1432 B5R0.3 CCC(=O)NO MCULE-1033164448 [2,1,0,0,0,0|0,1,0]=4 1433 B5R0.3 CNC(=N)NC MCULE-7703075263 [2,1,0,0,0,0|1,0,0]=4 1434 B5R0.3 CNC(=N)NN MCULE-4836793349 [2,1,0,0,0,0|1,0,0]=4 1435 B5R0.3 CNC(=N)NN MCULE-5998297944 [2,1,0,0,0,0|1,0,0]=4 1436 B5R0.3 CNC(=O)CBr MCULE-1439209307 [2,1,0,0,0,0|0,0,1]=4 1437 B5R0.3 CNC(=O)CCl MCULE-1437904095 [2,1,0,0,0,0|0,0,1]=4 1438 B5R0.3 CNC(=O)CI MCULE-1687694185 [2,1,0,0,0,0|0,0,1]=4 1439 B5R0.3 CNC(=O)CN MCULE-1901033297 [2,1,0,0,0,0|0,0,1]=4 1440 B5R0.3 CNC(=O)CN MCULE-8532774234 [2,1,0,0,0,0|0,0,1]=4 1441 B5R0.3 CNC(=O)CO MCULE-5899226107 [2,1,0,0,0,0|0,0,1]=4 1442 B5R0.3 CNC(=O)CS MCULE-7032391129 [2,1,0,0,0,0|0,0,1]=4 1443 B5R0.3 CNC(=O)NC MCULE-5319497155 [2,1,0,0,0,0|0,0,1]=4 1444 B5R0.3 CNC(=O)NN MCULE-2093843774 [2,1,0,0,0,0|0,0,0]=3 1445 B5R0.3 CNC(=O)OC MCULE-1162861376 [2,1,0,0,0,0|0,0,1]=4 1446 B5R0.3 CNC(=S)NC MCULE-7998520647 [2,1,0,0,0,0|0,0,0]=3 1447 B5R0.3 CNC(=S)NN MCULE-3762018607 [2,1,0,0,0,0|0,0,0]=3 1448 B5R0.3 COC(=O)C=O MCULE-2685327079 [2,1,0,0,0,0|0,1,0]=4 1449 B5R0.3 COC(=O)CN MCULE-7462799100 [2,1,0,0,0,0|0,0,1]=4 1450 B5R0.3 COC(=O)CN MCULE-8887061469 [2,1,0,0,0,0|0,0,1]=4 1451 B5R0.3 COC(=O)NN MCULE-2637794839 [2,1,0,0,0,0|0,0,0]=3 1452 B5R0.3 COC(=S)NN MCULE-8717505617 [2,1,0,0,0,0|0,1,0]=4 1453 B5R0.3 CSC(=S)NN MCULE-2798461411 [2,1,0,0,0,0|0,1,0]=4 1454 B5R0.3 NCC(=O)CN MCULE-2420991481 [2,1,0,0,0,0|0,0,1]=4 1455 B5R0.3 NCC(=O)CN MCULE-8626789745 [2,1,0,0,0,0|0,0,1]=4 1456 B5R0.3 NCC(=O)NN MCULE-2318099199 [2,1,0,0,0,0|0,0,0]=3 1457 B5R0.3 NCC(=O)NN MCULE-3392354502 [2,1,0,0,0,0|0,0,0]=3 1458 B5R0.3 NCC(=O)NO MCULE-5417617455 [2,1,0,0,0,0|0,1,0]=4 1459 B5R0.3 NNC(=O)CCl MCULE-2158347473 [2,1,0,0,0,0|0,0,0]=3 1460 B5R0.3 NNC(=O)CCl MCULE-9762553206 [2,1,0,0,0,0|0,0,0]=3 1461 B5R0.3 NNC(=O)CO MCULE-8443636349 [2,1,0,0,0,0|0,0,0]=3 1462 B5R0.3 NNC(=O)CS MCULE-4913925166 [2,1,0,0,0,0|0,0,0]=3 1463 B5R0.3 NNC(=O)NN MCULE-8522412568 [2,1,0,0,0,0|1,0,0]=4 1464 B5R0.3 NNC(=O)NO MCULE-7106168898 [2,1,0,0,0,0|1,0,0]=4 1465 B5R0.3 NNC(=S)NN MCULE-1599893212 [2,1,0,0,0,0|1,0,0]=4 1466 B5R0.3 O=CC(=O)CO MCULE-7273475675 [2,1,0,0,0,0|0,1,0]=4 1467 B5R0.4 CS(=O)(=O)NN MCULE-9882253848 [2,1,0,0,0,0|1,0,0]=4 1468 B5R0.2 C=CCNC=O MCULE-1911798514 [2,1,0,0,0,0|1,0,0]=4 1469 B5R0.2 O=CNNC=O MCULE-7634212643 [2,1,0,0,0,0|0,1,0]=4 1470 B7R0.3 C=CCNC(=O)CBr MCULE-5894560132 [1,2,0,0,0,0|1,0,0]=4 1471 B7R0.3 C=CCNC(=O)CCl MCULE-4830676670 [1,2,0,0,0,0|1,0,0]=4 1472 B7R0.3 C=CCNC(=O)CN MCULE-8221456161 [1,2,0,0,0,0|1,0,0]=4 1473 B7R0.3 C=CCNC(=O)CN MCULE-9764331326 [1,2,0,0,0,0|1,0,0]=4 1474 B7R0.3 C=CCNC(=O)CO MCULE-1240234665 [1,2,0,0,0,0|1,0,0]=4 1475 B7R0.3 C=CCNC(=O)CS MCULE-1040670812 [1,2,0,0,0,0|1,0,0]=4 1476 B7R0.3 C=CCNC(=S)NC MCULE-6740192122 [1,2,0,0,0,0|0,0,1]=4 1477 B7R0.3 C=CCNC(=S)NN MCULE-3262970479 [1,2,0,0,0,0|0,0,1]=4 1478 B7R0.3 CC=NNC(=S)NC MCULE-3608462649 [1,2,0,0,0,0|0,0,0]=3 1479 B7R0.3 CCC(=O)NCCN MCULE-3384406070 [1,2,0,0,0,0|0,0,1]=4 1480 B7R0.3 CCC(=O)NCCN MCULE-3992696592 [1,2,0,0,0,0|0,0,1]=4 1481 B7R0.3 CCC(=O)NCCN MCULE-4556462042 [1,2,0,0,0,0|0,0,1]=4 1482 B7R0.3 CCCNC(=S)NN MCULE-3677693813 [1,2,0,0,0,0|0,0,1]=4 1483 B7R0.3 CNC(=O)C=CCN MCULE-3646722223 [1,2,0,0,0,0|1,0,0]=4 1484 B7R0.3 CNC(=O)C=CCN MCULE-6988679780 [1,2,0,0,0,0|1,0,0]=4 1485 B7R0.3 CNC(=O)NCCN MCULE-4075769099 [1,2,0,0,0,0|0,0,1]=4 1486 B7R0.3 CNC(=O)NCCN MCULE-9668937902 [1,2,0,0,0,0|0,0,1]=4 1487 B7R0.3 COC(=O)/C=C/CN MCULE-6249542756 [1,2,0,0,0,0|1,0,0]=4 1488 B7R0.3 COC(=O)/C=C/CN MCULE-7014993899 [1,2,0,0,0,0|1,0,0]=4 1489 B7R0.3 COC(=O)C=CCN MCULE-4573398613 [1,2,0,0,0,0|1,0,0]=4 1490 B7R0.3 COC(=O)C=CCN MCULE-4807348004 [1,2,0,0,0,0|1,0,0]=4 1491 B7R0.3 COC(=O)C=CCN MCULE-7751483147 [1,2,0,0,0,0|1,0,0]=4 1492 B7R0.3 COC(=O)CNC=O MCULE-1485317532 [1,2,0,0,0,0|0,1,0]=4 1493 B7R0.3 COC(=O)NCCN MCULE-4816806580 [1,2,0,0,0,0|0,0,1]=4 1494 B7R0.3 COC(=O)NCCN MCULE-9765640123 [1,2,0,0,0,0|0,0,1]=4 1495 B7R0.3 NCCNC(=O)CCl MCULE-6059411085 [1,2,0,0,0,0|0,0,1]=4 1496 B7R0.3 NCCNC(=O)CCl MCULE-7545329795 [1,2,0,0,0,0|0,0,1]=4 1497 B7R0.3 O=C(CCl)/N=C/NO MCULE-8588086105 [1,2,0,0,0,0|0,0,1]=4 1498 B7R0.5 CC(=O)N(C)CCN MCULE-3153405152 [1,2,0,0,0,0|0,0,1]=4 1499 B7R0.5 CC(=O)N(C)CCN MCULE-4043248689 [1,2,0,0,0,0|0,0,1]=4 1500 B7R0.5 CCNC(=S)N(C)N MCULE-5791702760 [1,2,0,0,0,0|0,0,1]=4 1501 B7R0.7 CCNC(=S)NCC MCULE-8237270311 [1,2,0,0,0,0|0,0,1]=4 1502 B7R0.7 CCOC(=O)/C=C\N MCULE-1135242139 [1,2,0,0,0,0|1,0,0]=4 1503 B7R0.7 O=CNC(=O)NC=O MCULE-8913644353 [1,2,0,0,0,0|0,1,0]=4 1504 B7R0.10 CCN(N)C(=S)NC MCULE-9798319933 [1,2,0,0,0,0|0,0,1]=4 1505 B7R0.10 CNC(=S)N(C)NC MCULE-3806759128 [1,2,0,0,0,0|1,0,0]=4 1506 B7R0.15 CCN(CC)C(=S)N MCULE-6855799912 [1,2,0,0,0,0|0,0,1]=4 1507 B7R0.4 C=CC=NNC(=S)N MCULE-6696134423 [1,2,0,0,0,0|0,0,1]=4 1508 B7R0.4 C=CCONC(=O)C MCULE-1401456265 [1,2,0,0,0,0|1,0,0]=4 1509 B7R0.4 CC(=O)NCCC=O MCULE-1907633123 [1,2,0,0,0,0|0,1,0]=4 1510 B7R0.4 CC(=O)NCCCN MCULE-6321543480 [1,2,0,0,0,0|0,0,1]=4 1511 B7R0.4 CC(=O)NCCCN MCULE-8441492497 [1,2,0,0,0,0|0,0,1]=4 1512 B7R0.4 CC(=O)NCCON MCULE-3703048482 [1,2,0,0,0,0|0,0,1]=4 1513 B7R0.4 CCC=NNC(=S)N MCULE-6637349631 [1,2,0,0,0,0|0,0,0]=3 1514 B7R0.4 CCCCNC(=S)N MCULE-7448930772 [1,2,0,0,0,0|0,0,1]=4 1515 B7R0.4 CNCCNC(=O)C MCULE-5361712613 [1,2,0,0,0,0|0,0,1]=4 1516 B7R0.4 CNCCNC(=O)C MCULE-9798024696 [1,2,0,0,0,0|0,0,1]=4 1517 B7R0.4 COCCNC(=S)N MCULE-1285240117 [1,2,0,0,0,0|0,0,1]=4 1518 B7R0.4 CSCCNC(=S)N MCULE-1778031613 [1,2,0,0,0,0|0,0,1]=4 1519 B7R0.4 N#CCCNC(=S)N MCULE-1184051700 [1,2,0,0,0,0|0,0,1]=4 1520 B9R0.1 COC(=O)CCCC(=S)N MCULE-8415864487 [0,1,0,0,0,2|1,0,0]=4 1521 B9R0.1 COC(=O)CCNC(=O)N MCULE-9678867682 [0,1,0,0,0,2|0,1,0]=4 1522 B9R0.1 NCC(=O)NCCC(=O)N MCULE-3860393064 [0,1,0,0,0,2|0,1,0]=4 1523 B9R0.1 NCC(=O)NCCC(=O)N MCULE-8788981043 [0,1,0,0,0,2|0,1,0]=4 1524 B9R0.7 CC(=NNC(=S)N)C(=O)O MCULE-9863705232 [0,1,0,0,0,2|1,0,0]=4 1525 B9R0.7 CC(=O)C(=NNC(=O)N)C MCULE-7750017468 [0,1,0,0,0,2|0,1,0]=4 1526 B9R0.7 CC(=O)N(C)CCC(=S)N MCULE-6233171905 [0,1,0,0,0,2|0,0,0]=3 1527 B9R0.23 CNC(=O)C(C)NC(=O)C MCULE-9465926492 [0,2,0,0,0,1|0,1,0]=4 1528 B9R0.23 CNC(=O)[C@H](C)NC(=O)C MCULE-5078086866 [0,2,0,0,0,1|0,1,0]=4 1529 B9R0.23 CNC(=O)[C@H](C)NC(=O)C MCULE-8878746603 [0,2,0,0,0,1|0,1,0]=4 1530 B9R0.23 CNC(=S)N(C)N=C(C)C MCULE-7772359514 [0,2,0,0,0,1|1,0,0]=4 1531 B9R0.24 CCC(=O)NCC(=O)NN MCULE-8497711073 [0,2,0,0,0,1|0,1,0]=4 1532 B9R0.24 CNC(=O)CNC(=O)CN MCULE-6194044808 [0,2,0,0,0,1|0,1,0]=4 1533 B9R0.24 CNC(=O)CNC(=O)NN MCULE-2152556548 [0,2,0,0,0,1|0,1,0]=4 1534 B9R0.24 CNC(=O)CNC(=O)NN MCULE-8948193707 [0,2,0,0,0,1|0,1,0]=4 1535 B9R0.24 CNC(=O)CNC(=S)NN MCULE-7198072269 [0,2,0,0,0,1|0,0,0]=3 1536 B9R0.24 CNC(=O)NNC(=O)CO MCULE-2379159340 [0,2,0,0,0,1|0,1,0]=4 1537 B9R0.24 CNC(=S)NNC(=O)CO MCULE-1445370537 [0,2,0,0,0,1|0,0,0]=3 1538 B9R0.24 COC(=O)CNC(=O)CN MCULE-8016204677 [0,2,0,0,0,1|0,1,0]=4 1539 B9R0.24 COC(=O)CNC(=O)CN MCULE-8572365948 [0,2,0,0,0,1|0,1,0]=4 1540 B9R0.42 CC(NC(=O)CN)C(=O)N MCULE-2418100977 [0,2,0,0,0,1|0,1,0]=4 1541 B9R0.42 CC(NC(=O)CN)C(=O)N MCULE-5562877537 [0,2,0,0,0,1|0,1,0]=4 1542 B9R0.42 C[C@H](NC(=O)CN)C(=O)N MCULE-1477107832 [0,2,0,0,0,1|0,1,0]=4 1543 B9R0.42 C[C@H](NC(=O)CN)C(=O)N MCULE-7070402577 [0,2,0,0,0,1|0,1,0]=4 1544 B9R0.48 CCCC(=O)NCC(=O)N MCULE-4903049688 [0,2,0,0,0,1|0,1,0]=4 1545 B9R0.48 CCNC(=S)NCC(=O)O MCULE-3996581742 [0,2,0,0,0,1|1,0,0]=4 1546 B9R0.48 CCNC(=S)NNC(=O)C MCULE-2805208625 [0,2,0,0,0,1|0,0,0]=3 1547 B9R0.48 CCOC(=O)CNC(=O)N MCULE-5545074396 [0,2,0,0,0,1|0,1,0]=4 1548 B9R0.39 CC(=O)NC(C#N)C(=O)N MCULE-7779090279 [0,2,0,0,0,1|0,1,0]=4 1549 B9R0.39 CC(=O)NC(CS)C(=O)N MCULE-2256527758 [0,2,0,0,0,1|0,1,0]=4 1550 B9R0.39 CC(=O)N[C@@H](CS)C(=O)N MCULE-1208846063 [0,2,0,0,0,1|0,1,0]=4 1551 B9R0.39 CC(=O)N[C@@H](CS)C(=O)N MCULE-2389070545 [0,2,0,0,0,1|0,1,0]=4 1552 B9R0.6 CCOC(=O)C(C)C(=S)N MCULE-3062007965 [0,3,0,0,0,0|1,0,0]=4 1553 B9R0.28 COC(=O)C(C)(C)C(=S)N MCULE-5311054717 [0,3,0,0,0,0|1,0,0]=4 1554 B9R0.4 NC(=O)NC(=O)CCCCl MCULE-9550011428 [0,3,0,0,0,0|0,1,0]=4 1555 B9R0.34 CCNC(=O)NC(=O)CCl MCULE-2091607318 [0,3,0,0,0,0|0,1,0]=4 1556 B9R0.34 CCOC(=O)NC(=S)NC MCULE-6847356801 [0,3,0,0,0,0|0,0,0]=3 1557 B9R0.34 CCOC(=O)NC(=S)NN MCULE-2201550621 [0,3,0,0,0,0|0,0,0]=3 1558 B9R0.34 CNC(=O)NC(=O)CC#N MCULE-1298131205 [0,3,0,0,0,0|0,1,0]=4 1559 B9R0.34 CNC(=O)NC(=O)CCCl MCULE-3194430904 [0,3,0,0,0,0|0,1,0]=4 1560 B5R1.2 O=C1CCN1 MCULE-9053067221 [2,0,0,1,0,0|0,0,1]=4 1561 B5R1.2 O=C1CNC1 MCULE-5171659870 [2,0,0,1,0,0|0,0,1]=4 1562 B5R1.2 O=C1CNC1 MCULE-8293494956 [2,0,0,1,0,0|0,0,1]=4 1563 B7R1.3 O=C1CC=CCN1 MCULE-7370958955 [1,1,0,1,0,0|1,0,0]=4 1564 B7R1.3 O=C1CCNCN1 MCULE-5793765281 [1,1,0,1,0,0|0,0,1]=4 1565 B7R1.3 O=C1CNCCN1 MCULE-5599978871 [1,1,0,1,0,0|0,0,1]=4 1566 B7R1.3 O=C1CSC=CN1 MCULE-7195428643 [1,1,0,1,0,0|0,0,1]=4 1567 B7R1.3 S=C1NCCCN1 MCULE-6601711997 [1,1,0,1,0,0|0,0,1]=4 1568 B7R1.3 S=C1NCNCN1 MCULE-8557857293 [1,1,0,1,0,0|0,0,1]=4 1569 B7R1.4 CN1C=CNC1=O MCULE-9198950029 [1,1,0,1,0,0|1,0,0]=4 1570 B7R1.4 CN1CCNC1=S MCULE-5960493935 [1,1,0,1,0,0|0,0,1]=4 1571 B7R1.4 CN1CNCC1=O MCULE-2252466841 [1,1,0,1,0,0|0,0,1]=4 1572 B7R1.4 CN1NC=CC1=O MCULE-4425265471 [1,1,0,1,0,0|1,0,0]=4 1573 B7R1.4 CN1NC=NC1=O MCULE-2476320995 [1,1,0,1,0,0|0,0,1]=4 1574 B7R1.4 NN1CCNC1=S MCULE-6710971353 [1,1,0,1,0,0|0,0,1]=4 1575 B7R1.10 C=CC1CC(=O)N1 MCULE-2790457728 [1,1,0,1,0,0|1,0,0]=4 1576 B7R1.10 NCC1CC(=O)N1 MCULE-6099913032 [1,1,0,1,0,0|0,0,1]=4 1577 B7R1.18 CC(=O)N1C=CC1 MCULE-4207230175 [1,1,0,1,0,0|1,0,0]=4 1578 B7R1.18 NC(=S)N1CCC1 MCULE-5688954257 [1,1,0,1,0,0|0,0,1]=4 1579 B9R1.35 CC(=O)C1=CC(=NN1)N MCULE-7916886776 [0,0,0,1,0,2|1,0,0]=4 1580 B9R1.35 CC(=O)C1=CC(=NN1)N MCULE-9458933053 [0,0,0,1,0,2|1,0,0]=4 1581 B9R1.35 CC(=O)N1CCC(=N1)N MCULE-6589962377 [0,0,0,1,0,2|1,0,0]=4 1582 B9R1.35 CC(=O)N1CSC(=N1)N MCULE-1769702422 [0,0,0,1,0,2|1,0,0]=4 1583 B9R1.35 CC1=CC(=NN1)C(=S)N MCULE-7997861478 [0,0,0,1,0,2|1,0,0]=4 1584 B9R1.35 CC1=NC(=CN1)C(=S)N MCULE-5899356074 [0,0,0,1,0,2|1,0,0]=4 1585 B9R1.35 NC(=O)C1CNC(=O)C1 MCULE-2954653092 [0,0,0,1,0,2|0,1,0]=4 1586 B9R1.69 CC1=CC(=CNC1=O)N MCULE-7719078796 [0,1,0,1,0,1|1,0,0]=4 1587 B9R1.69 CC1=CNC(=O)NC1=O MCULE-6356243926 [0,1,0,1,0,1|0,1,0]=4 1588 B9R1.69 CC1=CNC(=S)NC1=O MCULE-7685911178 [0,1,0,1,0,1|0,0,0]=3 1589 B9R1.69 CC1=NNC(=O)NC1=O MCULE-1502977032 [0,1,0,1,0,1|0,1,0]=4 1590 B9R1.69 CC1=NNC(=O)NC1=O MCULE-1807973782 [0,1,0,1,0,1|0,1,0]=4 1591 B9R1.69 CC1=NNC(=S)NC1=S MCULE-4576414863 [0,1,0,1,0,1|0,1,0]=4 1592 B9R1.69 CC1NC(=O)CNC1=O MCULE-3674832613 [0,1,0,1,0,1|0,1,0]=4 1593 B9R1.69 CC1NC(=O)CNC1=O MCULE-9058910414 [0,1,0,1,0,1|0,1,0]=4 1594 B9R1.69 CC1NNC(=S)NC1=O MCULE-1126162722 [0,1,0,1,0,1|0,0,1]=4 1595 B9R1.69 CN1CC(=O)NCC1=O MCULE-2620095873 [0,1,0,1,0,1|0,1,0]=4 1596 B9R1.69 C[C@@H]1NC(=O)CNC1=O MCULE-2449320004 [0,1,0,1,0,1|0,1,0]=4 1597 B9R1.69 C[C@@H]1NC(=O)CNC1=O MCULE-7629090482 [0,1,0,1,0,1|0,1,0]=4 1598 B9R1.69 C[C@H]1NC(=O)CNC1=O MCULE-5376605309 [0,1,0,1,0,1|0,1,0]=4 1599 B9R1.69 O=C1NC(=S)NC=C1F MCULE-1640996146 [0,1,0,1,0,1|1,0,0]=4 1600 B9R1.69 O=C1NC(=S)NC=C1I MCULE-9040932930 [0,1,0,1,0,1|1,0,0]=4 1601 B9R1.69 O=C1NCC(=O)C(=O)N1 MCULE-3608761998 [0,1,0,1,0,1|0,1,0]=4 1602 B9R1.3 CN1C(=O)C=CNC1=S MCULE-1210464407 [0,2,0,1,0,0|0,0,1]=4 1603 B9R1.3 CN1C(=O)CNCC1=O MCULE-1069132233 [0,2,0,1,0,0|0,1,0]=4 1604 B9R1.3 CN1C(=O)CNCC1=O MCULE-4060585109 [0,2,0,1,0,0|0,1,0]=4 1605 B9R1.3 CN1C(=O)CNCC1=O MCULE-8726062423 [0,2,0,1,0,0|0,1,0]=4 1606 B9R1.3 NN1C(=O)C=NNC1=S MCULE-2713167949 [0,2,0,1,0,0|0,0,1]=4 1607 B9R1.37 CC1=NN(C(=S)N1C)C MCULE-3249373070 [0,2,0,1,0,0|1,0,0]=4 1608 B9R1.37 CC1C(=O)NC(=O)N1C MCULE-8491807319 [0,2,0,1,0,0|0,1,0]=4 1609 B9R1.37 CC1NC(=O)N(C1=O)C MCULE-9574379568 [0,2,0,1,0,0|0,1,0]=4 1610 B9R1.37 CC1SC(=S)N(C1=O)N MCULE-9909170601 [0,2,0,1,0,0|1,0,0]=4 1611 B9R1.37 CN1C(=O)CC(C1=O)N MCULE-1881097860 [0,2,0,1,0,0|0,1,0]=4 1612 B9R1.37 CN1C(=O)CC(C1=O)N MCULE-9743249390 [0,2,0,1,0,0|0,1,0]=4 1613 B9R1.37 CN1C(=O)C[C@@H](C1=O)N MCULE-4253353358 [0,2,0,1,0,0|0,1,0]=4 1614 B9R1.37 CN1C(=O)C[C@@H](C1=O)N MCULE-8722122900 [0,2,0,1,0,0|0,1,0]=4 1615 B9R1.37 CN1C(=O)NC(=O)C1O MCULE-7416083579 [0,2,0,1,0,0|0,1,0]=4 1616 B9R1.37 CN1CC(=O)N(C1=N)C MCULE-2819990793 [0,2,0,1,0,0|1,0,0]=4 1617 B9R1.37 CN1CC(=O)N(C1=N)C MCULE-5017302963 [0,2,0,1,0,0|1,0,0]=4 1618 B9R1.37 CN1CC(=O)N(C1=O)C MCULE-4679697256 [0,2,0,1,0,0|0,1,0]=4 1619 B9R1.37 CN1CC(=O)N(C1=O)N MCULE-1002182902 [0,2,0,1,0,0|0,1,0]=4 1620 B9R1.37 CN1CC(=O)N(C1=S)C MCULE-4702271205 [0,2,0,1,0,0|0,0,0]=3 1621 B9R1.37 CN1N=C(N(C1=O)C)N MCULE-3014568401 [0,2,0,1,0,0|1,0,0]=4 1622 B9R1.41 CC(=O)N1CCNC1=O MCULE-9582889409 [0,2,0,1,0,0|0,1,0]=4 1623 B9R1.41 CC(=O)N1CCNC1=S MCULE-6634615380 [0,2,0,1,0,0|0,0,0]=3 1624 B9R1.41 CC(=O)N1CCSC1=S MCULE-1158936764 [0,2,0,1,0,0|1,0,0]=4 1625 B9R1.41 N=C(N)N1CCCC1=O MCULE-2949809967 [0,2,0,1,0,0|1,0,0]=4 1626 B9R1.41 N=C(N)N1CCCC1=O MCULE-3208253060 [0,2,0,1,0,0|1,0,0]=4 1627 B9R1.41 NC(=O)N1CCCC1=O MCULE-5194166141 [0,2,0,1,0,0|0,1,0]=4 1628 B9R1.132 CN1C(=S)NC=C1CO MCULE-1386822124 [0,2,0,1,0,0|1,0,0]=4 1629 B9R1.7 NCCC1=NNC(=S)N1 MCULE-3254882561 [0,2,0,1,0,0|1,0,0]=4 1630 B9R1.13 CC(=O)NC1=CC=NN1 MCULE-2847031032 [0,2,0,1,0,0|1,0,0]=4 1631 B9R1.13 CC(=O)NC1=CNN=C1 MCULE-9362671115 [0,2,0,1,0,0|1,0,0]=4 1632 B9R1.13 CC(=O)NC1=NC=CN1 MCULE-1210151356 [0,2,0,1,0,0|1,0,0]=4 1633 B9R1.13 CC(=O)NC1=NN=NN1 MCULE-1398644517 [0,2,0,1,0,0|1,0,0]=4 1634 B9R1.13 CC(=O)NC1=NNC=N1 MCULE-6389186113 [0,2,0,1,0,0|1,0,0]=4 1635 B9R1.22 CCC1=C(NC(=S)N1)C MCULE-6892324903 [0,2,0,1,0,0|1,0,0]=4 1636 B9R1.22 CCC1NC(=O)NC1=O MCULE-7573161756 [0,2,0,1,0,0|0,1,0]=4 1637 B9R1.22 CCN1CC(=O)NC1=O MCULE-1851701594 [0,2,0,1,0,0|0,1,0]=4 1638 B9R1.22 NCC1CC(=O)NC1=O MCULE-4273797051 [0,2,0,1,0,0|0,1,0]=4 1639 B9R1.22 NCC1CC(=O)NC1=O MCULE-5127529700 [0,2,0,1,0,0|0,1,0]=4 1640 B9R1.22 NCC1NC(=O)NC1=O MCULE-3949033042 [0,2,0,1,0,0|0,1,0]=4 1641 B9R1.22 O=C1NC(=O)C(N1)CO MCULE-3745105690 [0,2,0,1,0,0|0,1,0]=4 1642 B9R1.22 O=C1NC(=O)[C@@H](N1)CO MCULE-4356522352 [0,2,0,1,0,0|0,1,0]=4 1643 B9R1.34 CC1=CC(=O)NC(=C1)N MCULE-1738074769 [0,2,0,1,0,0|1,0,0]=4 1644 B9R1.34 CC1=CC(=O)NC(=S)N1 MCULE-5250952546 [0,2,0,1,0,0|0,0,0]=3 1645 B9R1.34 CC1CC(=O)NC(=O)N1 MCULE-2066103800 [0,2,0,1,0,0|0,1,0]=4 1646 B9R1.34 CC1CC(=O)NC(=S)N1 MCULE-3560554851 [0,2,0,1,0,0|0,0,0]=3 1647 B9R1.34 CN1CC(=O)NC(=O)C1 MCULE-9312522895 [0,2,0,1,0,0|0,1,0]=4 1648 B9R1.34 NC1=NC(=O)CC(=O)N1 MCULE-4304162919 [0,2,0,1,0,0|0,1,0]=4 1649 B9R1.34 NC1CC(=O)NC(=O)C1 MCULE-6382091482 [0,2,0,1,0,0|0,1,0]=4 1650 B9R1.34 NC1CC(=O)NC(=O)C1 MCULE-9933185634 [0,2,0,1,0,0|0,1,0]=4 1651 B9R1.34 O=C1CC(=O)NC(=O)N1 MCULE-3947237773 [0,2,0,1,0,0|0,1,0]=4 1652 B9R1.34 O=C1CC(=O)NC(=S)N1 MCULE-6314984434 [0,2,0,1,0,0|0,0,0]=3 1653 B9R1.48 O=C1CCCCC(=S)N1 MCULE-9950295037 [0,2,0,1,0,0|1,0,0]=4 1654 B9R1.27 CCN1C(=O)CNC1=O MCULE-7012305681 [0,2,0,1,0,0|0,1,0]=4 1655 B9R1.27 CCN1C(=O)CNC1=S MCULE-4101647203 [0,2,0,1,0,0|0,0,0]=3 1656 B9R1.27 CCN1C(=O)COC1=S MCULE-8441116729 [0,2,0,1,0,0|1,0,0]=4 1657 B9R1.27 CCN1C(=O)CSC1=S MCULE-7069138767 [0,2,0,1,0,0|1,0,0]=4 1658 B9R1.27 CCN1C(=S)NN=C1C MCULE-9120886653 [0,2,0,1,0,0|1,0,0]=4 1659 B9R0.55 CC(=O)NCCSC(=[NH2+])N MCULE-2138383833 [0,0,0,0,0,3|1,0,0]=4 1660 B9R0.55 [NH2+]=C(N)SCCNC(=O)C MCULE-9062257097 [0,0,0,0,0,3|1,0,0]=4