0 B7R1.4 C1(CCNC1=O)N MCULE-4906952813 [0,0,0,0,0,0|1,0,0]=1 1 B7R1.4 C1(CCNC1=O)N MCULE-9500853209 [0,0,0,0,0,0|1,0,0]=1 2 B7R1.4 C=C1CCCC1O MCULE-3026250203 [0,0,0,0,0,0|4,0,0]=4 3 B7R1.4 C=C1CCNC1=O MCULE-2729105523 [0,0,0,0,0,0|2,0,1]=3 4 B7R1.4 C=C1CCOC1=O MCULE-5907828600 [0,0,0,0,0,0|3,0,1]=4 5 B7R1.4 C=C1COCC1N MCULE-4632261286 [0,0,0,0,0,0|2,0,0]=2 6 B7R1.4 C=C1COCC1N MCULE-7153575301 [0,0,0,0,0,0|2,0,0]=2 7 B7R1.4 CC1=CNNC1=O MCULE-9098077492 [0,0,0,0,0,0|2,0,2]=4 8 B7R1.4 CC1=CON=C1N MCULE-6766602702 [0,0,0,0,0,0|3,0,1]=4 9 B7R1.4 CC1=NOC=C1N MCULE-4953481155 [0,0,0,0,0,0|1,0,3]=4 10 B7R1.4 CC1=NOC=C1N MCULE-7158422089 [0,0,0,0,0,0|1,0,3]=4 11 B7R1.4 CC1=NON=C1N MCULE-3382265106 [0,0,0,0,0,0|2,0,2]=4 12 B7R1.4 CC1C=NNC1=O MCULE-2547711142 [0,0,0,0,0,0|2,0,1]=3 13 B7R1.4 CC1CCCC1=O MCULE-3710290162 [0,0,0,0,0,0|3,0,0]=3 14 B7R1.4 CC1CCCC1N MCULE-4318156403 [0,0,0,0,0,0|3,0,1]=4 15 B7R1.4 CC1CCCC1N MCULE-4434172193 [0,0,0,0,0,0|3,0,1]=4 16 B7R1.4 CC1CCNC1=O MCULE-7799644249 [0,0,0,0,0,0|2,0,0]=2 17 B7R1.4 CC1CCNC1C MCULE-2184586167 [0,0,0,0,0,0|3,0,1]=4 18 B7R1.4 CC1CCOC1=O MCULE-2223078294 [0,0,0,0,0,0|3,0,0]=3 19 B7R1.4 CC1CNCC1=O MCULE-2728909327 [0,0,0,0,0,0|3,0,0]=3 20 B7R1.4 CC1CNCC1=O MCULE-9172381840 [0,0,0,0,0,0|3,0,0]=3 21 B7R1.4 CC1CNCC1N MCULE-2314973615 [0,0,0,0,0,0|3,0,1]=4 22 B7R1.4 CC1CNCC1N MCULE-8542352354 [0,0,0,0,0,0|3,0,1]=4 23 B7R1.4 CC1COCC1=O MCULE-8115238635 [0,0,0,0,0,0|2,0,0]=2 24 B7R1.4 CC1COCC1N MCULE-5453471722 [0,0,0,0,0,0|2,0,1]=3 25 B7R1.4 CC1COCC1N MCULE-6647217023 [0,0,0,0,0,0|2,0,1]=3 26 B7R1.4 CC1COCC1O MCULE-5925280081 [0,0,0,0,0,0|2,0,2]=4 27 B7R1.4 CC1CON=C1N MCULE-8845082604 [0,0,0,0,0,0|2,0,1]=3 28 B7R1.4 CC1CSCC1=O MCULE-5611423322 [0,0,0,0,0,0|2,1,0]=3 29 B7R1.4 CC1CSCC1N MCULE-5628200403 [0,0,0,0,0,0|2,1,1]=4 30 B7R1.4 CC1NCCC1=O MCULE-4206844406 [0,0,0,0,0,0|4,0,0]=4 31 B7R1.4 CC1NCCC1=O MCULE-7025918222 [0,0,0,0,0,0|4,0,0]=4 32 B7R1.4 CC1NCCC1O MCULE-7936666458 [0,0,0,0,0,0|3,0,1]=4 33 B7R1.4 CC1NCCC1O MCULE-8369948926 [0,0,0,0,0,0|3,0,1]=4 34 B7R1.4 CC1OCCC1=O MCULE-8278816952 [0,0,0,0,0,0|4,0,0]=4 35 B7R1.4 CC1OCCC1N MCULE-4343663724 [0,0,0,0,0,0|3,0,1]=4 36 B7R1.4 CC1OCCC1N MCULE-9003879039 [0,0,0,0,0,0|3,0,1]=4 37 B7R1.4 CC1SCCC1=O MCULE-5264322365 [0,0,0,0,0,0|4,0,0]=4 38 B7R1.4 CC1SCCC1N MCULE-5160182865 [0,0,0,0,0,0|3,0,1]=4 39 B7R1.4 CC1SCCC1N MCULE-8827106279 [0,0,0,0,0,0|3,0,1]=4 40 B7R1.4 CN1C=CNC1=O MCULE-9198950029 [0,0,0,0,0,0|3,0,1]=4 41 B7R1.4 CN1C=NNC1=O MCULE-2122203722 [0,0,0,0,0,0|3,0,1]=4 42 B7R1.4 CN1CC=CC1=O MCULE-7879549885 [0,0,0,0,0,0|4,0,0]=4 43 B7R1.4 CN1CCCC1=O MCULE-1381506705 [0,0,0,0,0,0|4,0,0]=4 44 B7R1.4 CN1CCNC1=O MCULE-9774864412 [0,0,0,0,0,0|3,0,0]=3 45 B7R1.4 CN1CCNC1=S MCULE-5960493935 [0,0,0,0,0,0|3,1,0]=4 46 B7R1.4 CN1CCOC1=O MCULE-7467321799 [0,0,0,0,0,0|4,0,0]=4 47 B7R1.4 CN1CNCC1=O MCULE-2252466841 [0,0,0,0,0,0|4,0,0]=4 48 B7R1.4 C[C@@H]1CCC[C@@H]1N MCULE-6206070680 [0,0,0,0,0,0|3,0,1]=4 49 B7R1.4 C[C@@H]1CCC[C@@H]1N MCULE-9964938082 [0,0,0,0,0,0|3,0,1]=4 50 B7R1.4 C[C@@H]1CCC[C@H]1N MCULE-8385969474 [0,0,0,0,0,0|3,0,1]=4 51 B7R1.4 C[C@@H]1CCNC1=O MCULE-1037883660 [0,0,0,0,0,0|2,0,0]=2 52 B7R1.4 C[C@@H]1CNC[C@@H]1N MCULE-2290594563 [0,0,0,0,0,0|3,0,1]=4 53 B7R1.4 C[C@@H]1CNC[C@@H]1N MCULE-2611807697 [0,0,0,0,0,0|3,0,1]=4 54 B7R1.4 C[C@@H]1CNC[C@@H]1N MCULE-3707409979 [0,0,0,0,0,0|3,0,1]=4 55 B7R1.4 C[C@@H]1CNC[C@@H]1N MCULE-4317636252 [0,0,0,0,0,0|3,0,1]=4 56 B7R1.4 C[C@@H]1COC[C@@H]1O MCULE-3198029643 [0,0,0,0,0,0|2,0,2]=4 57 B7R1.4 C[C@@H]1COC[C@H]1N MCULE-1145772262 [0,0,0,0,0,0|2,0,1]=3 58 B7R1.4 C[C@@H]1COC[C@H]1N MCULE-6639849267 [0,0,0,0,0,0|2,0,1]=3 59 B7R1.4 C[C@@H]1COC[C@H]1N MCULE-9659959713 [0,0,0,0,0,0|2,0,1]=3 60 B7R1.4 C[C@@H]1COC[C@H]1O MCULE-1967963278 [0,0,0,0,0,0|2,0,2]=4 61 B7R1.4 C[C@@H]1NCC[C@@H]1O MCULE-1705265213 [0,0,0,0,0,0|3,0,1]=4 62 B7R1.4 C[C@@H]1NCC[C@@H]1O MCULE-3395898129 [0,0,0,0,0,0|3,0,1]=4 63 B7R1.4 C[C@@H]1NCC[C@@H]1O MCULE-5909894286 [0,0,0,0,0,0|3,0,1]=4 64 B7R1.4 C[C@@H]1NCC[C@@H]1O MCULE-9998480727 [0,0,0,0,0,0|3,0,1]=4 65 B7R1.4 C[C@@H]1NCC[C@H]1O MCULE-1101330824 [0,0,0,0,0,0|3,0,1]=4 66 B7R1.4 C[C@@H]1NCC[C@H]1O MCULE-3326131093 [0,0,0,0,0,0|3,0,1]=4 67 B7R1.4 C[C@@H]1NCC[C@H]1O MCULE-3941456644 [0,0,0,0,0,0|3,0,1]=4 68 B7R1.4 C[C@@H]1NCC[C@H]1O MCULE-8944150043 [0,0,0,0,0,0|3,0,1]=4 69 B7R1.4 C[C@@H]1OCC[C@H]1N MCULE-5910807847 [0,0,0,0,0,0|3,0,1]=4 70 B7R1.4 C[C@@H]1OCC[C@H]1N MCULE-7586038907 [0,0,0,0,0,0|3,0,1]=4 71 B7R1.4 C[C@H]1CCC[C@@H]1N MCULE-4150988023 [0,0,0,0,0,0|3,0,1]=4 72 B7R1.4 C[C@H]1CCC[C@H]1N MCULE-3329868072 [0,0,0,0,0,0|3,0,1]=4 73 B7R1.4 C[C@H]1CCC[C@H]1N MCULE-4186145172 [0,0,0,0,0,0|3,0,1]=4 74 B7R1.4 C[C@H]1CCNC1=O MCULE-9500360544 [0,0,0,0,0,0|2,0,0]=2 75 B7R1.4 C[C@H]1CCN[C@@H]1C MCULE-7622265949 [0,0,0,0,0,0|3,0,1]=4 76 B7R1.4 C[C@H]1CCN[C@@H]1C MCULE-7686056776 [0,0,0,0,0,0|3,0,1]=4 77 B7R1.4 C[C@H]1CNC[C@H]1N MCULE-6069899229 [0,0,0,0,0,0|3,0,1]=4 78 B7R1.4 C[C@H]1CNC[C@H]1N MCULE-8539137579 [0,0,0,0,0,0|3,0,1]=4 79 B7R1.4 C[C@H]1COC[C@@H]1O MCULE-3765921602 [0,0,0,0,0,0|2,0,2]=4 80 B7R1.4 C[C@H]1COC[C@@H]1O MCULE-5201903195 [0,0,0,0,0,0|2,0,2]=4 81 B7R1.4 C[C@H]1COC[C@H]1O MCULE-2974083166 [0,0,0,0,0,0|2,0,2]=4 82 B7R1.4 C[C@H]1COC[C@H]1O MCULE-6725207001 [0,0,0,0,0,0|2,0,2]=4 83 B7R1.4 C[C@H]1NCC[C@@H]1O MCULE-5499798144 [0,0,0,0,0,0|3,0,1]=4 84 B7R1.4 C[C@H]1NCC[C@@H]1O MCULE-7401004387 [0,0,0,0,0,0|3,0,1]=4 85 B7R1.4 C[C@H]1NCC[C@H]1O MCULE-7469942077 [0,0,0,0,0,0|3,0,1]=4 86 B7R1.4 C[C@H]1NCC[C@H]1O MCULE-9976903585 [0,0,0,0,0,0|3,0,1]=4 87 B7R1.4 C[C@H]1OCC[C@H]1N MCULE-1432785321 [0,0,0,0,0,0|3,0,1]=4 88 B7R1.4 C[C@H]1OCC[C@H]1N MCULE-3008045787 [0,0,0,0,0,0|3,0,1]=4 89 B7R1.4 C[C@H]1OCC[C@H]1N MCULE-7656776924 [0,0,0,0,0,0|3,0,1]=4 90 B7R1.4 C[C@H]1OCC[C@H]1N MCULE-8087379612 [0,0,0,0,0,0|3,0,1]=4 91 B7R1.4 NC1=C(NN=C1)N MCULE-5202717352 [0,0,0,0,0,0|2,0,2]=4 92 B7R1.4 NC1=CCOC1=O MCULE-9089854091 [0,0,0,0,0,0|2,0,2]=4 93 B7R1.4 NC1=CNNC1=O MCULE-5341060497 [0,0,0,0,0,0|1,0,2]=3 94 B7R1.4 NC1=CNNC1=O MCULE-9560987259 [0,0,0,0,0,0|1,0,2]=3 95 B7R1.4 NC1=NOC=C1Br MCULE-5371812507 [0,0,0,0,0,0|3,0,1]=4 96 B7R1.4 NC1=NOC=C1Cl MCULE-3098999490 [0,0,0,0,0,0|3,0,1]=4 97 B7R1.4 NC1=NON=C1Cl MCULE-2142721475 [0,0,0,0,0,0|2,0,2]=4 98 B7R1.4 NC1=NON=C1N MCULE-9556144390 [0,0,0,0,0,0|2,0,2]=4 99 B7R1.4 NC1=NON=C1O MCULE-6904763946 [0,0,0,0,0,0|1,0,3]=4 100 B7R1.4 NC1CCCC1=O MCULE-3654949473 [0,0,0,0,0,0|2,0,0]=2 101 B7R1.4 NC1CCCC1=O MCULE-6579965788 [0,0,0,0,0,0|2,0,0]=2 102 B7R1.4 NC1CCCC1F MCULE-2221939717 [0,0,0,0,0,0|3,0,1]=4 103 B7R1.4 NC1CCCC1F MCULE-7473190715 [0,0,0,0,0,0|3,0,1]=4 104 B7R1.4 NC1CCCC1N MCULE-5161769230 [0,0,0,0,0,0|3,0,1]=4 105 B7R1.4 NC1CCCC1N MCULE-7834445190 [0,0,0,0,0,0|3,0,1]=4 106 B7R1.4 NC1CCCC1O MCULE-1657591641 [0,0,0,0,0,0|2,0,2]=4 107 B7R1.4 NC1CCCC1O MCULE-6248992494 [0,0,0,0,0,0|2,0,2]=4 108 B7R1.4 NC1CCNC1=O MCULE-2061829370 [0,0,0,0,0,0|1,0,0]=1 109 B7R1.4 NC1CCNC1=O MCULE-4272585488 [0,0,0,0,0,0|1,0,0]=1 110 B7R1.4 NC1CCOC1=O MCULE-1011670330 [0,0,0,0,0,0|2,0,0]=2 111 B7R1.4 NC1CCOC1=O MCULE-1366805966 [0,0,0,0,0,0|2,0,0]=2 112 B7R1.4 NC1CCOC1=O MCULE-1874490478 [0,0,0,0,0,0|2,0,0]=2 113 B7R1.4 NC1CCOC1=O MCULE-4434379753 [0,0,0,0,0,0|2,0,0]=2 114 B7R1.4 NC1CCOC1=O MCULE-7302633352 [0,0,0,0,0,0|2,0,0]=2 115 B7R1.4 NC1CCOC1=O MCULE-8009953591 [0,0,0,0,0,0|2,0,0]=2 116 B7R1.4 NC1CCSC1=O MCULE-5181497015 [0,0,0,0,0,0|2,0,0]=2 117 B7R1.4 NC1CCSC1=O MCULE-8775141567 [0,0,0,0,0,0|2,0,0]=2 118 B7R1.4 NC1CNCC1F MCULE-1177091135 [0,0,0,0,0,0|3,0,1]=4 119 B7R1.4 NC1CNCC1F MCULE-8259596061 [0,0,0,0,0,0|3,0,1]=4 120 B7R1.4 NC1COCC1Br MCULE-5821692966 [0,0,0,0,0,0|2,0,1]=3 121 B7R1.4 NC1COCC1F MCULE-5032224318 [0,0,0,0,0,0|2,0,1]=3 122 B7R1.4 NC1COCC1F MCULE-8302920845 [0,0,0,0,0,0|2,0,1]=3 123 B7R1.4 NC1COCC1N MCULE-1202195361 [0,0,0,0,0,0|2,0,1]=3 124 B7R1.4 NC1COCC1N MCULE-4117465167 [0,0,0,0,0,0|2,0,1]=3 125 B7R1.4 NC1COCC1O MCULE-3115911209 [0,0,0,0,0,0|1,0,2]=3 126 B7R1.4 NC1COCC1O MCULE-9837103399 [0,0,0,0,0,0|1,0,2]=3 127 B7R1.4 NC1CONC1=O MCULE-3118867985 [0,0,0,0,0,0|0,0,0]=0 128 B7R1.4 NC1CONC1=O MCULE-3159218372 [0,0,0,0,0,0|0,0,0]=0 129 B7R1.4 NC1CSCC1O MCULE-4474934833 [0,0,0,0,0,0|1,1,2]=4 130 B7R1.4 NC1CSCC1O MCULE-5059305463 [0,0,0,0,0,0|1,1,2]=4 131 B7R1.4 NC1CSCC1O MCULE-8633680588 [0,0,0,0,0,0|1,1,2]=4 132 B7R1.4 NN1C=NNC1=O MCULE-1613661520 [0,0,0,0,0,0|2,0,1]=3 133 B7R1.4 NN1CCCC1=O MCULE-2994786381 [0,0,0,0,0,0|3,0,0]=3 134 B7R1.4 NN1CCCC1=O MCULE-5599329775 [0,0,0,0,0,0|3,0,0]=3 135 B7R1.4 NN1CCNC1=O MCULE-9094725216 [0,0,0,0,0,0|2,0,0]=2 136 B7R1.4 NN1CCNC1=S MCULE-6710971353 [0,0,0,0,0,0|2,1,0]=3 137 B7R1.4 NN1CCOC1=O MCULE-7407834106 [0,0,0,0,0,0|3,0,0]=3 138 B7R1.4 NN1CCOC1=O MCULE-8091613930 [0,0,0,0,0,0|3,0,0]=3 139 B7R1.4 N[C@@H]1CCC[C@@H]1F MCULE-5918995947 [0,0,0,0,0,0|3,0,1]=4 140 B7R1.4 N[C@@H]1CCC[C@@H]1O MCULE-3619202671 [0,0,0,0,0,0|2,0,2]=4 141 B7R1.4 N[C@@H]1CCC[C@@H]1O MCULE-5588562063 [0,0,0,0,0,0|2,0,2]=4 142 B7R1.4 N[C@@H]1CCC[C@@H]1O MCULE-8937650915 [0,0,0,0,0,0|2,0,2]=4 143 B7R1.4 N[C@@H]1CCC[C@@H]1O MCULE-9550479411 [0,0,0,0,0,0|2,0,2]=4 144 B7R1.4 N[C@@H]1CCC[C@@H]1O MCULE-9908988904 [0,0,0,0,0,0|2,0,2]=4 145 B7R1.4 N[C@@H]1CCC[C@H]1F MCULE-1389039924 [0,0,0,0,0,0|3,0,1]=4 146 B7R1.4 N[C@@H]1CCC[C@H]1F MCULE-2197861570 [0,0,0,0,0,0|3,0,1]=4 147 B7R1.4 N[C@@H]1CCC[C@H]1F MCULE-3318849776 [0,0,0,0,0,0|3,0,1]=4 148 B7R1.4 N[C@@H]1CCC[C@H]1F MCULE-5395257521 [0,0,0,0,0,0|3,0,1]=4 149 B7R1.4 N[C@@H]1CCC[C@H]1F MCULE-8318262942 [0,0,0,0,0,0|3,0,1]=4 150 B7R1.4 N[C@@H]1CCC[C@H]1F MCULE-9877401480 [0,0,0,0,0,0|3,0,1]=4 151 B7R1.4 N[C@@H]1CCC[C@H]1N MCULE-1630250066 [0,0,0,0,0,0|3,0,1]=4 152 B7R1.4 N[C@@H]1CCC[C@H]1N MCULE-5738867214 [0,0,0,0,0,0|3,0,1]=4 153 B7R1.4 N[C@@H]1CCC[C@H]1N MCULE-5794367720 [0,0,0,0,0,0|3,0,1]=4 154 B7R1.4 N[C@@H]1CCC[C@H]1N MCULE-6079002018 [0,0,0,0,0,0|3,0,1]=4 155 B7R1.4 N[C@@H]1CCC[C@H]1N MCULE-7332231839 [0,0,0,0,0,0|3,0,1]=4 156 B7R1.4 N[C@@H]1CCC[C@H]1N MCULE-7604406385 [0,0,0,0,0,0|3,0,1]=4 157 B7R1.4 N[C@@H]1CCC[C@H]1O MCULE-2283352070 [0,0,0,0,0,0|2,0,2]=4 158 B7R1.4 N[C@@H]1CCC[C@H]1O MCULE-3279782742 [0,0,0,0,0,0|2,0,2]=4 159 B7R1.4 N[C@@H]1CCC[C@H]1O MCULE-6823698796 [0,0,0,0,0,0|2,0,2]=4 160 B7R1.4 N[C@@H]1CCC[C@H]1O MCULE-7752087047 [0,0,0,0,0,0|2,0,2]=4 161 B7R1.4 N[C@@H]1CCC[C@H]1O MCULE-8823714511 [0,0,0,0,0,0|2,0,2]=4 162 B7R1.4 N[C@@H]1CCC[C@H]1O MCULE-9789739251 [0,0,0,0,0,0|2,0,2]=4 163 B7R1.4 N[C@@H]1CCNC1=O MCULE-2357766642 [0,0,0,0,0,0|1,0,0]=1 164 B7R1.4 N[C@@H]1CCNC1=O MCULE-9089591546 [0,0,0,0,0,0|1,0,0]=1 165 B7R1.4 N[C@@H]1CCNC1=O MCULE-9558758567 [0,0,0,0,0,0|1,0,0]=1 166 B7R1.4 N[C@@H]1CCNC1=O MCULE-9668255740 [0,0,0,0,0,0|1,0,0]=1 167 B7R1.4 N[C@@H]1CCOC1=O MCULE-1027751896 [0,0,0,0,0,0|2,0,0]=2 168 B7R1.4 N[C@@H]1CCOC1=O MCULE-4034349263 [0,0,0,0,0,0|2,0,0]=2 169 B7R1.4 N[C@@H]1CCOC1=O MCULE-8790782772 [0,0,0,0,0,0|2,0,0]=2 170 B7R1.4 N[C@@H]1CCOC1=O MCULE-9300265861 [0,0,0,0,0,0|2,0,0]=2 171 B7R1.4 N[C@@H]1CCSC1=O MCULE-1269968791 [0,0,0,0,0,0|2,0,0]=2 172 B7R1.4 N[C@@H]1CCSC1=O MCULE-5374422420 [0,0,0,0,0,0|2,0,0]=2 173 B7R1.4 N[C@@H]1CCSC1=O MCULE-8203732076 [0,0,0,0,0,0|2,0,0]=2 174 B7R1.4 N[C@@H]1CCSC1=O MCULE-8418670804 [0,0,0,0,0,0|2,0,0]=2 175 B7R1.4 N[C@@H]1CNC[C@H]1F MCULE-1708344428 [0,0,0,0,0,0|3,0,1]=4 176 B7R1.4 N[C@@H]1CNC[C@H]1F MCULE-3614628548 [0,0,0,0,0,0|3,0,1]=4 177 B7R1.4 N[C@@H]1CNC[C@H]1F MCULE-5868430910 [0,0,0,0,0,0|3,0,1]=4 178 B7R1.4 N[C@@H]1CNC[C@H]1F MCULE-9283549047 [0,0,0,0,0,0|3,0,1]=4 179 B7R1.4 N[C@@H]1COC[C@@H]1F MCULE-1582887664 [0,0,0,0,0,0|2,0,1]=3 180 B7R1.4 N[C@@H]1COC[C@@H]1F MCULE-3978694929 [0,0,0,0,0,0|2,0,1]=3 181 B7R1.4 N[C@@H]1COC[C@@H]1F MCULE-4503972605 [0,0,0,0,0,0|2,0,1]=3 182 B7R1.4 N[C@@H]1COC[C@@H]1F MCULE-6640537480 [0,0,0,0,0,0|2,0,1]=3 183 B7R1.4 N[C@@H]1COC[C@@H]1N MCULE-5625344145 [0,0,0,0,0,0|2,0,1]=3 184 B7R1.4 N[C@@H]1COC[C@@H]1N MCULE-5743565778 [0,0,0,0,0,0|2,0,1]=3 185 B7R1.4 N[C@@H]1COC[C@@H]1N MCULE-7916026303 [0,0,0,0,0,0|2,0,1]=3 186 B7R1.4 N[C@@H]1COC[C@@H]1O MCULE-2891920420 [0,0,0,0,0,0|1,0,2]=3 187 B7R1.4 N[C@@H]1COC[C@@H]1O MCULE-5764643856 [0,0,0,0,0,0|1,0,2]=3 188 B7R1.4 N[C@@H]1COC[C@H]1F MCULE-3183837574 [0,0,0,0,0,0|2,0,1]=3 189 B7R1.4 N[C@@H]1COC[C@H]1F MCULE-3329511858 [0,0,0,0,0,0|2,0,1]=3 190 B7R1.4 N[C@@H]1COC[C@H]1N MCULE-3234416434 [0,0,0,0,0,0|2,0,1]=3 191 B7R1.4 N[C@@H]1COC[C@H]1N MCULE-3421021007 [0,0,0,0,0,0|2,0,1]=3 192 B7R1.4 N[C@@H]1COC[C@H]1O MCULE-1399984261 [0,0,0,0,0,0|1,0,2]=3 193 B7R1.4 N[C@@H]1COC[C@H]1O MCULE-2321912677 [0,0,0,0,0,0|1,0,2]=3 194 B7R1.4 N[C@@H]1COC[C@H]1O MCULE-4422404071 [0,0,0,0,0,0|1,0,2]=3 195 B7R1.4 N[C@@H]1COC[C@H]1O MCULE-7801515292 [0,0,0,0,0,0|1,0,2]=3 196 B7R1.4 N[C@@H]1COC[C@H]1O MCULE-9112718041 [0,0,0,0,0,0|1,0,2]=3 197 B7R1.4 N[C@@H]1COC[C@H]1O MCULE-9447703783 [0,0,0,0,0,0|1,0,2]=3 198 B7R1.4 N[C@@H]1CONC1=O MCULE-4212827696 [0,0,0,0,0,0|0,0,0]=0 199 B7R1.4 N[C@@H]1CONC1=O MCULE-6014142329 [0,0,0,0,0,0|0,0,0]=0 200 B7R1.4 N[C@@H]1CSC[C@@H]1O MCULE-4507133192 [0,0,0,0,0,0|1,1,2]=4 201 B7R1.4 N[C@@H]1CSC[C@@H]1O MCULE-9327920188 [0,0,0,0,0,0|1,1,2]=4 202 B7R1.4 N[C@@H]1CSC[C@H]1O MCULE-5323319055 [0,0,0,0,0,0|1,1,2]=4 203 B7R1.4 N[C@@H]1CSC[C@H]1O MCULE-8008053411 [0,0,0,0,0,0|1,1,2]=4 204 B7R1.4 N[C@H]1CCC[C@@H]1O MCULE-6629056296 [0,0,0,0,0,0|2,0,2]=4 205 B7R1.4 N[C@H]1CCC[C@@H]1O MCULE-7682114350 [0,0,0,0,0,0|2,0,2]=4 206 B7R1.4 N[C@H]1CCC[C@@H]1O MCULE-8554796061 [0,0,0,0,0,0|2,0,2]=4 207 B7R1.4 N[C@H]1CCC[C@@H]1O MCULE-9329258920 [0,0,0,0,0,0|2,0,2]=4 208 B7R1.4 N[C@H]1CCC[C@H]1N MCULE-1361897949 [0,0,0,0,0,0|3,0,1]=4 209 B7R1.4 N[C@H]1CCC[C@H]1N MCULE-4545374374 [0,0,0,0,0,0|3,0,1]=4 210 B7R1.4 N[C@H]1CCC[C@H]1O MCULE-1156997833 [0,0,0,0,0,0|2,0,2]=4 211 B7R1.4 N[C@H]1CCC[C@H]1O MCULE-2524879699 [0,0,0,0,0,0|2,0,2]=4 212 B7R1.4 N[C@H]1CCC[C@H]1O MCULE-7034968971 [0,0,0,0,0,0|2,0,2]=4 213 B7R1.4 N[C@H]1CCC[C@H]1O MCULE-9262461574 [0,0,0,0,0,0|2,0,2]=4 214 B7R1.4 N[C@H]1CCC[C@H]1O MCULE-9904485750 [0,0,0,0,0,0|2,0,2]=4 215 B7R1.4 N[C@H]1CCNC1=O MCULE-2327147408 [0,0,0,0,0,0|1,0,0]=1 216 B7R1.4 N[C@H]1CCNC1=O MCULE-2923469662 [0,0,0,0,0,0|1,0,0]=1 217 B7R1.4 N[C@H]1CCNC1=O MCULE-5882745021 [0,0,0,0,0,0|1,0,0]=1 218 B7R1.4 N[C@H]1CCNC1=O MCULE-7846724738 [0,0,0,0,0,0|1,0,0]=1 219 B7R1.4 N[C@H]1CCOC1=O MCULE-4393293388 [0,0,0,0,0,0|2,0,0]=2 220 B7R1.4 N[C@H]1CCOC1=O MCULE-4751602783 [0,0,0,0,0,0|2,0,0]=2 221 B7R1.4 N[C@H]1CCOC1=O MCULE-7924572479 [0,0,0,0,0,0|2,0,0]=2 222 B7R1.4 N[C@H]1CCOC1=O MCULE-8545644747 [0,0,0,0,0,0|2,0,0]=2 223 B7R1.4 N[C@H]1CCOC1=O MCULE-8634641228 [0,0,0,0,0,0|2,0,0]=2 224 B7R1.4 N[C@H]1CCSC1=O MCULE-4497814170 [0,0,0,0,0,0|2,0,0]=2 225 B7R1.4 N[C@H]1CCSC1=O MCULE-6209097230 [0,0,0,0,0,0|2,0,0]=2 226 B7R1.4 N[C@H]1CCSC1=O MCULE-6419348515 [0,0,0,0,0,0|2,0,0]=2 227 B7R1.4 N[C@H]1CCSC1=O MCULE-9091827364 [0,0,0,0,0,0|2,0,0]=2 228 B7R1.4 N[C@H]1COC[C@@H]1F MCULE-1031359839 [0,0,0,0,0,0|2,0,1]=3 229 B7R1.4 N[C@H]1COC[C@@H]1F MCULE-6239060869 [0,0,0,0,0,0|2,0,1]=3 230 B7R1.4 N[C@H]1COC[C@@H]1N MCULE-4495433095 [0,0,0,0,0,0|2,0,1]=3 231 B7R1.4 N[C@H]1COC[C@@H]1N MCULE-6217406845 [0,0,0,0,0,0|2,0,1]=3 232 B7R1.4 N[C@H]1COC[C@@H]1N MCULE-9762071646 [0,0,0,0,0,0|2,0,1]=3 233 B7R1.4 N[C@H]1COC[C@@H]1O MCULE-1604156911 [0,0,0,0,0,0|1,0,2]=3 234 B7R1.4 N[C@H]1COC[C@@H]1O MCULE-3157811195 [0,0,0,0,0,0|1,0,2]=3 235 B7R1.4 N[C@H]1COC[C@@H]1O MCULE-4377495223 [0,0,0,0,0,0|1,0,2]=3 236 B7R1.4 N[C@H]1COC[C@@H]1O MCULE-8412403655 [0,0,0,0,0,0|1,0,2]=3 237 B7R1.4 N[C@H]1COC[C@H]1F MCULE-7980939593 [0,0,0,0,0,0|2,0,1]=3 238 B7R1.4 N[C@H]1COC[C@H]1F MCULE-8990550970 [0,0,0,0,0,0|2,0,1]=3 239 B7R1.4 N[C@H]1COC[C@H]1O MCULE-5907972681 [0,0,0,0,0,0|1,0,2]=3 240 B7R1.4 N[C@H]1COC[C@H]1O MCULE-7502895716 [0,0,0,0,0,0|1,0,2]=3 241 B7R1.4 N[C@H]1COC[C@H]1O MCULE-8985833831 [0,0,0,0,0,0|1,0,2]=3 242 B7R1.4 N[C@H]1COC[C@H]1O MCULE-9971794275 [0,0,0,0,0,0|1,0,2]=3 243 B7R1.4 N[C@H]1CONC1=O MCULE-4286940154 [0,0,0,0,0,0|0,0,0]=0 244 B7R1.4 N[C@H]1CONC1=O MCULE-9925977120 [0,0,0,0,0,0|0,0,0]=0 245 B7R1.4 O=C1CCCC1=O MCULE-8040167119 [0,0,0,0,0,0|3,0,1]=4 246 B7R1.4 O=C1CCCC1Br MCULE-3651373380 [0,0,0,0,0,0|3,0,0]=3 247 B7R1.4 O=C1CCCC1Cl MCULE-7745647260 [0,0,0,0,0,0|3,0,0]=3 248 B7R1.4 O=C1CCCC1F MCULE-8001765295 [0,0,0,0,0,0|3,0,0]=3 249 B7R1.4 O=C1CCCC1O MCULE-6795188798 [0,0,0,0,0,0|3,0,0]=3 250 B7R1.4 O=C1CCNC1=O MCULE-6243503430 [0,0,0,0,0,0|2,0,1]=3 251 B7R1.4 O=C1NCCC1Br MCULE-5321265801 [0,0,0,0,0,0|2,0,0]=2 252 B7R1.4 O=C1NCCC1Cl MCULE-1663035789 [0,0,0,0,0,0|2,0,0]=2 253 B7R1.4 O=C1NCCC1F MCULE-2209899044 [0,0,0,0,0,0|2,0,0]=2 254 B7R1.4 O=C1NCCC1O MCULE-8818841339 [0,0,0,0,0,0|2,0,0]=2 255 B7R1.4 O=C1NCCC1O MCULE-9662824811 [0,0,0,0,0,0|2,0,0]=2 256 B7R1.4 O=C1NCC[C@@H]1O MCULE-3212474164 [0,0,0,0,0,0|2,0,0]=2 257 B7R1.4 O=C1NCC[C@@H]1O MCULE-7816291255 [0,0,0,0,0,0|2,0,0]=2 258 B7R1.4 O=C1NCC[C@H]1O MCULE-1281835510 [0,0,0,0,0,0|2,0,0]=2 259 B7R1.4 O=C1NCC[C@H]1O MCULE-6809356348 [0,0,0,0,0,0|2,0,0]=2 260 B7R1.4 O=C1OCCC1Br MCULE-8316114331 [0,0,0,0,0,0|3,0,0]=3 261 B7R1.4 O=C1OCCC1O MCULE-2144002601 [0,0,0,0,0,0|3,0,0]=3 262 B7R1.4 O=C1OCCC1S MCULE-2130434062 [0,0,0,0,0,0|3,0,0]=3 263 B7R1.4 O=C1OCC[C@@H]1O MCULE-7764011790 [0,0,0,0,0,0|3,0,0]=3 264 B7R1.4 O=C1OCC[C@@H]1O MCULE-9001729998 [0,0,0,0,0,0|3,0,0]=3 265 B7R1.4 O=C1OCC[C@H]1O MCULE-6949645282 [0,0,0,0,0,0|3,0,0]=3 266 B7R1.4 O=C1OCC[C@H]1O MCULE-7110242636 [0,0,0,0,0,0|3,0,0]=3 267 B7R1.4 OC1CCC=C1Br MCULE-2577502971 [0,0,0,0,0,0|4,0,0]=4 268 B7R1.4 OC1COCC1Br MCULE-8642236751 [0,0,0,0,0,0|2,0,2]=4 269 B7R1.4 OC1COCC1F MCULE-3255803142 [0,0,0,0,0,0|2,0,2]=4 270 B7R1.4 OC1COCC1O MCULE-2982401803 [0,0,0,0,0,0|2,0,2]=4 271 B7R1.4 O[C@@H]1COC[C@H]1F MCULE-2460253154 [0,0,0,0,0,0|2,0,2]=4 272 B7R1.4 O[C@@H]1COC[C@H]1F MCULE-3624406213 [0,0,0,0,0,0|2,0,2]=4 273 B7R1.4 O[C@@H]1COC[C@H]1O MCULE-5846282762 [0,0,0,0,0,0|2,0,2]=4 274 B7R1.4 O[C@H]1COC[C@@H]1F MCULE-7724910066 [0,0,0,0,0,0|2,0,2]=4 275 B7R1.4 O[C@H]1COC[C@@H]1O MCULE-2140544466 [0,0,0,0,0,0|2,0,2]=4 276 B7R1.4 O[C@H]1COC[C@@H]1O MCULE-9526811966 [0,0,0,0,0,0|2,0,2]=4 277 B7R1.4 O[C@H]1COC[C@H]1O MCULE-2862505352 [0,0,0,0,0,0|2,0,2]=4 278 B7R1.4 [C@@H]1(CCC[C@H]1N)C MCULE-2430440513 [0,0,0,0,0,0|3,0,1]=4 279 B7R1.4 [C@@H]1(CCC[C@H]1N)C MCULE-8503171996 [0,0,0,0,0,0|3,0,1]=4 280 B7R1.4 [C@@H]1(CCC[C@H]1N)F MCULE-5545998720 [0,0,0,0,0,0|3,0,1]=4 281 B7R1.4 [C@@H]1(COC[C@@H]1F)N MCULE-3635591654 [0,0,0,0,0,0|2,0,1]=3 282 B7R1.4 [C@@H]1(COC[C@@H]1F)N MCULE-5914925477 [0,0,0,0,0,0|2,0,1]=3 283 B7R1.4 [C@@H]1(COC[C@@H]1N)N MCULE-4324328112 [0,0,0,0,0,0|2,0,1]=3 284 B7R1.4 [C@H]1(COC[C@H]1N)C MCULE-5920046767 [0,0,0,0,0,0|2,0,1]=3 285 B7R1.4 [C@H]1(COC[C@H]1N)C MCULE-6282053067 [0,0,0,0,0,0|2,0,1]=3 286 B7R1.4 [C@H]1(COC[C@H]1N)C MCULE-8432332245 [0,0,0,0,0,0|2,0,1]=3 287 B7R1.4 [NH3+][C@H]1CCOC1=O MCULE-8903471982 [0,0,0,0,0,0|2,0,1]=3 288 B6R1.2 BrC1=CCCC1 MCULE-1008379150 [1,0,0,0,0,0|3,0,0]=4 289 B6R1.2 BrC1=COCC1 MCULE-8057569313 [1,0,0,0,0,0|2,0,0]=3 290 B6R1.2 BrC1CCNC1 MCULE-4841543716 [1,0,0,0,0,0|2,0,1]=4 291 B6R1.2 BrC1CCNC1 MCULE-4954951045 [1,0,0,0,0,0|2,0,1]=4 292 B6R1.2 BrC1CCNC1 MCULE-7176123276 [1,0,0,0,0,0|2,0,1]=4 293 B6R1.2 BrC1CCOC1 MCULE-7037144528 [1,0,0,0,0,0|2,0,1]=4 294 B6R1.2 Br[C@@H]1CCNC1 MCULE-1681494552 [1,0,0,0,0,0|2,0,1]=4 295 B6R1.2 Br[C@@H]1CCNC1 MCULE-1764777534 [1,0,0,0,0,0|2,0,1]=4 296 B6R1.2 Br[C@@H]1CCNC1 MCULE-2455801012 [1,0,0,0,0,0|2,0,1]=4 297 B6R1.2 Br[C@@H]1CCNC1 MCULE-8945784733 [1,0,0,0,0,0|2,0,1]=4 298 B6R1.2 Br[C@H]1CCNC1 MCULE-5014033994 [1,0,0,0,0,0|2,0,1]=4 299 B6R1.2 Br[C@H]1CCNC1 MCULE-5217617272 [1,0,0,0,0,0|2,0,1]=4 300 B6R1.2 Br[C@H]1CCNC1 MCULE-8899453530 [1,0,0,0,0,0|2,0,1]=4 301 B6R1.2 Br[C@H]1CCNC1 MCULE-9461718131 [1,0,0,0,0,0|2,0,1]=4 302 B6R1.2 Br[C@H]1CCOC1 MCULE-7554969036 [1,0,0,0,0,0|2,0,1]=4 303 B6R1.2 C1(CCNC1)C MCULE-2542646403 [1,0,0,0,0,0|2,0,1]=4 304 B6R1.2 C1(CCNC1)C MCULE-4538835016 [1,0,0,0,0,0|2,0,1]=4 305 B6R1.2 C1(CCNC1)F MCULE-2259566125 [1,0,0,0,0,0|2,0,1]=4 306 B6R1.2 C1(CCNC1)F MCULE-3325393466 [1,0,0,0,0,0|2,0,1]=4 307 B6R1.2 C1(CCNC1)O MCULE-2676539647 [1,0,0,0,0,0|2,0,1]=4 308 B6R1.2 C1(CCNC1)O MCULE-4228466615 [1,0,0,0,0,0|2,0,1]=4 309 B6R1.2 C1(CCOC1)I MCULE-4877322062 [1,0,0,0,0,0|2,0,1]=4 310 B6R1.2 C1(CCOC1)N MCULE-2221007915 [1,0,0,0,0,0|1,0,1]=3 311 B6R1.2 C1(CCOC1)N MCULE-3972931474 [1,0,0,0,0,0|1,0,1]=3 312 B6R1.2 C1(CCOC1)O MCULE-3631749536 [1,0,0,0,0,0|1,0,2]=4 313 B6R1.2 C=C1CCCC1 MCULE-4115373196 [1,0,0,0,0,0|3,0,0]=4 314 B6R1.2 C=C1CCNC1 MCULE-7982953073 [1,0,0,0,0,0|3,0,0]=4 315 B6R1.2 C=C1CCNC1 MCULE-8428731599 [1,0,0,0,0,0|3,0,0]=4 316 B6R1.2 C=C1CCSC1 MCULE-7042571473 [1,0,0,0,0,0|2,1,0]=4 317 B6R1.2 CC1=CCCC1 MCULE-8508688474 [1,0,0,0,0,0|3,0,0]=4 318 B6R1.2 CC1=NCCC1 MCULE-5009170423 [1,0,0,0,0,0|2,0,1]=4 319 B6R1.2 CC1=NCCN1 MCULE-4787238872 [1,0,0,0,0,0|3,0,0]=4 320 B6R1.2 CC1=NNCC1 MCULE-1758510182 [1,0,0,0,0,0|2,0,1]=4 321 B6R1.2 CC1C=CCC1 MCULE-1638534048 [1,0,0,0,0,0|3,0,0]=4 322 B6R1.2 CC1CCCN1 MCULE-4853624560 [1,0,0,0,0,0|2,0,1]=4 323 B6R1.2 CC1CCCN1 MCULE-5939948024 [1,0,0,0,0,0|2,0,1]=4 324 B6R1.2 CC1CCCN1 MCULE-6020011445 [1,0,0,0,0,0|2,0,1]=4 325 B6R1.2 CC1CCCN1 MCULE-7855346849 [1,0,0,0,0,0|2,0,1]=4 326 B6R1.2 CC1CCNC1 MCULE-6494098173 [1,0,0,0,0,0|2,0,1]=4 327 B6R1.2 CC1CCNC1 MCULE-8260364514 [1,0,0,0,0,0|2,0,1]=4 328 B6R1.2 CC1CCOC1 MCULE-6424683416 [1,0,0,0,0,0|2,0,1]=4 329 B6R1.2 CC1CNOC1 MCULE-1071803164 [1,0,0,0,0,0|1,0,1]=3 330 B6R1.2 CC1CNOC1 MCULE-9455391174 [1,0,0,0,0,0|1,0,1]=3 331 B6R1.2 CC1COCO1 MCULE-9332316279 [1,0,0,0,0,0|3,0,0]=4 332 B6R1.2 CN1CCOC1 MCULE-5504672404 [1,0,0,0,0,0|3,0,0]=4 333 B6R1.2 C[C@@H]1CCCN1 MCULE-1038329474 [1,0,0,0,0,0|2,0,1]=4 334 B6R1.2 C[C@@H]1CCCN1 MCULE-1829999308 [1,0,0,0,0,0|2,0,1]=4 335 B6R1.2 C[C@@H]1CCCN1 MCULE-8644278041 [1,0,0,0,0,0|2,0,1]=4 336 B6R1.2 C[C@@H]1CCCN1 MCULE-9243990647 [1,0,0,0,0,0|2,0,1]=4 337 B6R1.2 C[C@@H]1CCNC1 MCULE-5345577321 [1,0,0,0,0,0|2,0,1]=4 338 B6R1.2 C[C@@H]1CCNC1 MCULE-5749945455 [1,0,0,0,0,0|2,0,1]=4 339 B6R1.2 C[C@@H]1CCNC1 MCULE-8967606188 [1,0,0,0,0,0|2,0,1]=4 340 B6R1.2 C[C@@H]1CCNC1 MCULE-8996756392 [1,0,0,0,0,0|2,0,1]=4 341 B6R1.2 C[C@H]1CCCN1 MCULE-2078024663 [1,0,0,0,0,0|2,0,1]=4 342 B6R1.2 C[C@H]1CCCN1 MCULE-3113877345 [1,0,0,0,0,0|2,0,1]=4 343 B6R1.2 C[C@H]1CCCN1 MCULE-3426869473 [1,0,0,0,0,0|2,0,1]=4 344 B6R1.2 C[C@H]1CCCN1 MCULE-5093266679 [1,0,0,0,0,0|2,0,1]=4 345 B6R1.2 C[C@H]1CCNC1 MCULE-1866792897 [1,0,0,0,0,0|2,0,1]=4 346 B6R1.2 C[C@H]1CCNC1 MCULE-3817248567 [1,0,0,0,0,0|2,0,1]=4 347 B6R1.2 C[C@H]1CCNC1 MCULE-7938243226 [1,0,0,0,0,0|2,0,1]=4 348 B6R1.2 C[C@H]1CCNC1 MCULE-8895875203 [1,0,0,0,0,0|2,0,1]=4 349 B6R1.2 ClC1=CCCC1 MCULE-7680993065 [1,0,0,0,0,0|3,0,0]=4 350 B6R1.2 ClC1=NCCN1 MCULE-2043711677 [1,0,0,0,0,0|3,0,0]=4 351 B6R1.2 ClC1=NCCN1 MCULE-2296476673 [1,0,0,0,0,0|3,0,0]=4 352 B6R1.2 ClC1CCNC1 MCULE-5659561118 [1,0,0,0,0,0|2,0,1]=4 353 B6R1.2 ClC1CCNC1 MCULE-6180477494 [1,0,0,0,0,0|2,0,1]=4 354 B6R1.2 ClC1CCNC1 MCULE-6964859207 [1,0,0,0,0,0|2,0,1]=4 355 B6R1.2 ClC1CCNC1 MCULE-8389509440 [1,0,0,0,0,0|2,0,1]=4 356 B6R1.2 ClC1CCOC1 MCULE-6903762147 [1,0,0,0,0,0|2,0,1]=4 357 B6R1.2 Cl[C@@H]1CCNC1 MCULE-3218152098 [1,0,0,0,0,0|2,0,1]=4 358 B6R1.2 Cl[C@@H]1CCNC1 MCULE-6728755007 [1,0,0,0,0,0|2,0,1]=4 359 B6R1.2 Cl[C@@H]1CCNC1 MCULE-7223308304 [1,0,0,0,0,0|2,0,1]=4 360 B6R1.2 Cl[C@@H]1CCNC1 MCULE-9699335522 [1,0,0,0,0,0|2,0,1]=4 361 B6R1.2 Cl[C@H]1CCNC1 MCULE-1696981588 [1,0,0,0,0,0|2,0,1]=4 362 B6R1.2 Cl[C@H]1CCNC1 MCULE-4535592624 [1,0,0,0,0,0|2,0,1]=4 363 B6R1.2 Cl[C@H]1CCNC1 MCULE-4850151938 [1,0,0,0,0,0|2,0,1]=4 364 B6R1.2 Cl[C@H]1CCNC1 MCULE-8947782807 [1,0,0,0,0,0|2,0,1]=4 365 B6R1.2 FC1CCNC1 MCULE-3601135445 [1,0,0,0,0,0|2,0,1]=4 366 B6R1.2 FC1CCNC1 MCULE-8578750940 [1,0,0,0,0,0|2,0,1]=4 367 B6R1.2 FC1CNOC1 MCULE-4837734523 [1,0,0,0,0,0|1,0,1]=3 368 B6R1.2 FC1CNOC1 MCULE-6176254900 [1,0,0,0,0,0|1,0,1]=3 369 B6R1.2 F[C@@H]1CCNC1 MCULE-4408739710 [1,0,0,0,0,0|2,0,1]=4 370 B6R1.2 F[C@@H]1CCNC1 MCULE-5678498844 [1,0,0,0,0,0|2,0,1]=4 371 B6R1.2 F[C@@H]1CCNC1 MCULE-5679054116 [1,0,0,0,0,0|2,0,1]=4 372 B6R1.2 F[C@@H]1CCNC1 MCULE-7029204180 [1,0,0,0,0,0|2,0,1]=4 373 B6R1.2 F[C@H]1CCCN1 MCULE-8612757365 [1,0,0,0,0,0|2,0,1]=4 374 B6R1.2 F[C@H]1CCNC1 MCULE-2854402872 [1,0,0,0,0,0|2,0,1]=4 375 B6R1.2 F[C@H]1CCNC1 MCULE-4493640982 [1,0,0,0,0,0|2,0,1]=4 376 B6R1.2 F[C@H]1CCNC1 MCULE-7441383471 [1,0,0,0,0,0|2,0,1]=4 377 B6R1.2 F[C@H]1CCNC1 MCULE-7946601643 [1,0,0,0,0,0|2,0,1]=4 378 B6R1.2 IC1=CCCC1 MCULE-5953451970 [1,0,0,0,0,0|3,0,0]=4 379 B6R1.2 IC1=COCC1 MCULE-3076361502 [1,0,0,0,0,0|2,0,0]=3 380 B6R1.2 IC1CCNC1 MCULE-3058541551 [1,0,0,0,0,0|2,0,1]=4 381 B6R1.2 IC1CCNC1 MCULE-5326267139 [1,0,0,0,0,0|2,0,1]=4 382 B6R1.2 IC1CCOC1 MCULE-1379775972 [1,0,0,0,0,0|2,0,1]=4 383 B6R1.2 I[C@@H]1CCNC1 MCULE-3800433724 [1,0,0,0,0,0|2,0,1]=4 384 B6R1.2 I[C@@H]1CCNC1 MCULE-3857825133 [1,0,0,0,0,0|2,0,1]=4 385 B6R1.2 I[C@@H]1CCNC1 MCULE-7781267462 [1,0,0,0,0,0|2,0,1]=4 386 B6R1.2 I[C@@H]1CCNC1 MCULE-7979843810 [1,0,0,0,0,0|2,0,1]=4 387 B6R1.2 I[C@@H]1CCOC1 MCULE-2036157502 [1,0,0,0,0,0|2,0,1]=4 388 B6R1.2 I[C@@H]1CCOC1 MCULE-4800752659 [1,0,0,0,0,0|2,0,1]=4 389 B6R1.2 I[C@H]1CCNC1 MCULE-1218289403 [1,0,0,0,0,0|2,0,1]=4 390 B6R1.2 I[C@H]1CCNC1 MCULE-7469922084 [1,0,0,0,0,0|2,0,1]=4 391 B6R1.2 I[C@H]1CCOC1 MCULE-4242860607 [1,0,0,0,0,0|2,0,1]=4 392 B6R1.2 I[C@H]1CCOC1 MCULE-7095404975 [1,0,0,0,0,0|2,0,1]=4 393 B6R1.2 N=C1CCCS1 MCULE-4228855265 [1,0,0,0,0,0|3,0,0]=4 394 B6R1.2 N=C1CCCS1 MCULE-7496124035 [1,0,0,0,0,0|3,0,0]=4 395 B6R1.2 N=C1NCCN1 MCULE-4983030911 [1,0,0,0,0,0|3,0,0]=4 396 B6R1.2 NC1=CCNN1 MCULE-1539779543 [1,0,0,0,0,0|2,0,1]=4 397 B6R1.2 NC1=CCNN1 MCULE-3460056890 [1,0,0,0,0,0|2,0,1]=4 398 B6R1.2 NC1=CCNN1 MCULE-5423983278 [1,0,0,0,0,0|2,0,1]=4 399 B6R1.2 NC1=CNC=C1 MCULE-1411730985 [1,0,0,0,0,0|1,0,2]=4 400 B6R1.2 NC1=CNC=C1 MCULE-7701316156 [1,0,0,0,0,0|1,0,2]=4 401 B6R1.2 NC1=CNN=C1 MCULE-4119655375 [1,0,0,0,0,0|1,0,2]=4 402 B6R1.2 NC1=CNN=C1 MCULE-5097217370 [1,0,0,0,0,0|1,0,2]=4 403 B6R1.2 NC1=CNN=C1 MCULE-6287007700 [1,0,0,0,0,0|1,0,2]=4 404 B6R1.2 NC1=CNN=N1 MCULE-7644677669 [1,0,0,0,0,0|2,0,1]=4 405 B6R1.2 NC1=COC=C1 MCULE-1858324031 [1,0,0,0,0,0|1,0,2]=4 406 B6R1.2 NC1=COC=C1 MCULE-3985426542 [1,0,0,0,0,0|1,0,2]=4 407 B6R1.2 NC1=CON=C1 MCULE-2373604754 [1,0,0,0,0,0|0,0,3]=4 408 B6R1.2 NC1=CON=C1 MCULE-7932471087 [1,0,0,0,0,0|0,0,3]=4 409 B6R1.2 NC1=NCCC1 MCULE-6089369366 [1,0,0,0,0,0|2,0,1]=4 410 B6R1.2 NC1=NCCC1 MCULE-8979618464 [1,0,0,0,0,0|2,0,1]=4 411 B6R1.2 NC1=NCCN1 MCULE-1788173657 [1,0,0,0,0,0|3,0,0]=4 412 B6R1.2 NC1=NCCN1 MCULE-9804694628 [1,0,0,0,0,0|3,0,0]=4 413 B6R1.2 NC1=NNCC1 MCULE-4665265929 [1,0,0,0,0,0|2,0,1]=4 414 B6R1.2 NC1=NOC=C1 MCULE-5363092492 [1,0,0,0,0,0|2,0,1]=4 415 B6R1.2 NC1=NOCC1 MCULE-4971355735 [1,0,0,0,0,0|1,0,1]=3 416 B6R1.2 NC1=NON=C1 MCULE-1928445544 [1,0,0,0,0,0|1,0,2]=4 417 B6R1.2 NC1C=CCC1 MCULE-2537724380 [1,0,0,0,0,0|2,0,0]=3 418 B6R1.2 NC1C=CCC1 MCULE-5017993489 [1,0,0,0,0,0|2,0,0]=3 419 B6R1.2 NC1C=CN=N1 MCULE-8618625416 [1,0,0,0,0,0|3,0,0]=4 420 B6R1.2 NC1CC=CC1 MCULE-3815719332 [1,0,0,0,0,0|2,0,1]=4 421 B6R1.2 NC1CC=CC1 MCULE-9984030144 [1,0,0,0,0,0|2,0,1]=4 422 B6R1.2 NC1CCCC1 MCULE-2292038009 [1,0,0,0,0,0|2,0,1]=4 423 B6R1.2 NC1CCNC1 MCULE-2237528072 [1,0,0,0,0,0|1,0,1]=3 424 B6R1.2 NC1CCNC1 MCULE-5167920547 [1,0,0,0,0,0|1,0,1]=3 425 B6R1.2 NC1CCNC1 MCULE-5837785719 [1,0,0,0,0,0|1,0,1]=3 426 B6R1.2 NC1CCOC1 MCULE-1276945018 [1,0,0,0,0,0|1,0,1]=3 427 B6R1.2 NC1CCOC1 MCULE-8146259495 [1,0,0,0,0,0|1,0,1]=3 428 B6R1.2 NC1CCSC1 MCULE-8972229387 [1,0,0,0,0,0|1,1,1]=4 429 B6R1.2 NC1CCSC1 MCULE-9186640582 [1,0,0,0,0,0|1,1,1]=4 430 B6R1.2 NC1CSSC1 MCULE-4887591316 [1,0,0,0,0,0|1,1,1]=4 431 B6R1.2 NC1CSSC1 MCULE-5524609325 [1,0,0,0,0,0|1,1,1]=4 432 B6R1.2 NC1CSSC1 MCULE-9014844047 [1,0,0,0,0,0|1,1,1]=4 433 B6R1.2 N[C@@H]1CCNC1 MCULE-6043697974 [1,0,0,0,0,0|1,0,1]=3 434 B6R1.2 N[C@@H]1CCNC1 MCULE-8912264932 [1,0,0,0,0,0|1,0,1]=3 435 B6R1.2 N[C@@H]1CCNC1 MCULE-9183647019 [1,0,0,0,0,0|1,0,1]=3 436 B6R1.2 N[C@@H]1CCNC1 MCULE-9608760183 [1,0,0,0,0,0|1,0,1]=3 437 B6R1.2 N[C@@H]1CCOC1 MCULE-1100136080 [1,0,0,0,0,0|1,0,1]=3 438 B6R1.2 N[C@@H]1CCOC1 MCULE-4493278911 [1,0,0,0,0,0|1,0,1]=3 439 B6R1.2 N[C@@H]1CCOC1 MCULE-5574536510 [1,0,0,0,0,0|1,0,1]=3 440 B6R1.2 N[C@@H]1CCOC1 MCULE-7204677203 [1,0,0,0,0,0|1,0,1]=3 441 B6R1.2 N[C@H]1CCNC1 MCULE-3573455998 [1,0,0,0,0,0|1,0,1]=3 442 B6R1.2 N[C@H]1CCNC1 MCULE-3988158945 [1,0,0,0,0,0|1,0,1]=3 443 B6R1.2 N[C@H]1CCNC1 MCULE-4526890579 [1,0,0,0,0,0|1,0,1]=3 444 B6R1.2 N[C@H]1CCNC1 MCULE-8548728927 [1,0,0,0,0,0|1,0,1]=3 445 B6R1.2 N[C@H]1CCOC1 MCULE-2273771439 [1,0,0,0,0,0|1,0,1]=3 446 B6R1.2 N[C@H]1CCOC1 MCULE-3567904137 [1,0,0,0,0,0|1,0,1]=3 447 B6R1.2 N[C@H]1CCOC1 MCULE-5268616156 [1,0,0,0,0,0|1,0,1]=3 448 B6R1.2 N[C@H]1CCOC1 MCULE-7351975857 [1,0,0,0,0,0|1,0,1]=3 449 B6R1.2 O=C1C=CCC1 MCULE-1844779047 [1,0,0,0,0,0|2,0,0]=3 450 B6R1.2 O=C1C=CCN1 MCULE-4338701003 [1,0,0,0,0,0|1,0,2]=4 451 B6R1.2 O=C1C=CCO1 MCULE-4296503663 [1,0,0,0,0,0|3,0,0]=4 452 B6R1.2 O=C1C=CCS1 MCULE-5623095583 [1,0,0,0,0,0|3,0,0]=4 453 B6R1.2 O=C1C=CNN1 MCULE-8045056316 [1,0,0,0,0,0|1,0,2]=4 454 B6R1.2 O=C1C=CSC1 MCULE-6580304664 [1,0,0,0,0,0|3,0,0]=4 455 B6R1.2 O=C1C=CSN1 MCULE-6820517860 [1,0,0,0,0,0|0,1,2]=4 456 B6R1.2 O=C1CC=CC1 MCULE-7606670114 [1,0,0,0,0,0|2,0,1]=4 457 B6R1.2 O=C1CC=NN1 MCULE-1672455504 [1,0,0,0,0,0|1,0,1]=3 458 B6R1.2 O=C1CCCC1 MCULE-9455227735 [1,0,0,0,0,0|2,0,0]=3 459 B6R1.2 O=C1CCCN1 MCULE-3061780794 [1,0,0,0,0,0|1,0,0]=2 460 B6R1.2 O=C1CCCO1 MCULE-6795890265 [1,0,0,0,0,0|2,0,0]=3 461 B6R1.2 O=C1CCCS1 MCULE-5361654550 [1,0,0,0,0,0|2,0,0]=3 462 B6R1.2 O=C1CCNC1 MCULE-2947789259 [1,0,0,0,0,0|2,0,0]=3 463 B6R1.2 O=C1CCNC1 MCULE-7192595052 [1,0,0,0,0,0|2,0,0]=3 464 B6R1.2 O=C1CCNN1 MCULE-7030953666 [1,0,0,0,0,0|1,0,0]=2 465 B6R1.2 O=C1CCOC1 MCULE-2031733910 [1,0,0,0,0,0|1,0,0]=2 466 B6R1.2 O=C1CCON1 MCULE-6799359324 [1,0,0,0,0,0|0,0,0]=1 467 B6R1.2 O=C1CCSC1 MCULE-2059655624 [1,0,0,0,0,0|1,1,0]=3 468 B6R1.2 O=C1CC[NH2+]N1 MCULE-5327505055 [1,0,0,0,0,0|1,0,0]=2 469 B6R1.2 O=C1CNCN1 MCULE-2645891847 [1,0,0,0,0,0|2,0,0]=3 470 B6R1.2 O=C1CNCN1 MCULE-9269137129 [1,0,0,0,0,0|2,0,0]=3 471 B6R1.2 O=C1CSCN1 MCULE-3946660854 [1,0,0,0,0,0|2,0,0]=3 472 B6R1.2 O=C1NC=CN1 MCULE-6249170076 [1,0,0,0,0,0|2,0,1]=4 473 B6R1.2 O=C1NC=CO1 MCULE-4371023805 [1,0,0,0,0,0|2,0,1]=4 474 B6R1.2 O=C1NC=CS1 MCULE-2039347995 [1,0,0,0,0,0|2,0,1]=4 475 B6R1.2 O=C1NC=NN1 MCULE-8685001700 [1,0,0,0,0,0|2,0,1]=4 476 B6R1.2 O=C1NCCN1 MCULE-9806791551 [1,0,0,0,0,0|2,0,0]=3 477 B6R1.2 O=C1NCCO1 MCULE-3934923008 [1,0,0,0,0,0|2,0,0]=3 478 B6R1.2 O=C1NCCS1 MCULE-6732478086 [1,0,0,0,0,0|2,0,0]=3 479 B6R1.2 O=C1NN=NN1 MCULE-2843823671 [1,0,0,0,0,0|3,0,0]=4 480 B6R1.2 O=C1OCCO1 MCULE-9493253045 [1,0,0,0,0,0|3,0,0]=4 481 B6R1.2 O=S1CCCC1 MCULE-2442126780 [1,0,0,0,0,0|3,0,0]=4 482 B6R1.2 OC1C=CCC1 MCULE-3857764876 [1,0,0,0,0,0|3,0,0]=4 483 B6R1.2 OC1CCCN1 MCULE-4787168972 [1,0,0,0,0,0|1,0,2]=4 484 B6R1.2 OC1CCNC1 MCULE-4307402606 [1,0,0,0,0,0|2,0,1]=4 485 B6R1.2 OC1CCNC1 MCULE-6745480350 [1,0,0,0,0,0|2,0,1]=4 486 B6R1.2 OC1CCOC1 MCULE-4469581028 [1,0,0,0,0,0|1,0,2]=4 487 B6R1.2 OC1CNOC1 MCULE-3414700581 [1,0,0,0,0,0|1,0,1]=3 488 B6R1.2 OC1CNOC1 MCULE-8163403090 [1,0,0,0,0,0|1,0,1]=3 489 B6R1.2 OC1CNOC1 MCULE-8644852072 [1,0,0,0,0,0|1,0,1]=3 490 B6R1.2 OC1C[NH2+]OC1 MCULE-7865131527 [1,0,0,0,0,0|1,0,2]=4 491 B6R1.2 O[C@@H]1CCNC1 MCULE-8116497337 [1,0,0,0,0,0|2,0,1]=4 492 B6R1.2 O[C@@H]1CCNC1 MCULE-8578068948 [1,0,0,0,0,0|2,0,1]=4 493 B6R1.2 O[C@@H]1CCNC1 MCULE-9094582248 [1,0,0,0,0,0|2,0,1]=4 494 B6R1.2 O[C@@H]1CCNC1 MCULE-9933593352 [1,0,0,0,0,0|2,0,1]=4 495 B6R1.2 O[C@@H]1CCOC1 MCULE-7739141732 [1,0,0,0,0,0|1,0,2]=4 496 B6R1.2 O[C@@H]1CCOC1 MCULE-8344812226 [1,0,0,0,0,0|1,0,2]=4 497 B6R1.2 O[C@@H]1CCOC1 MCULE-9098074990 [1,0,0,0,0,0|1,0,2]=4 498 B6R1.2 O[C@@H]1CNOC1 MCULE-1481945185 [1,0,0,0,0,0|1,0,1]=3 499 B6R1.2 O[C@@H]1CNOC1 MCULE-4156521353 [1,0,0,0,0,0|1,0,1]=3 500 B6R1.2 O[C@@H]1CNOC1 MCULE-5692816168 [1,0,0,0,0,0|1,0,1]=3 501 B6R1.2 O[C@@H]1CNOC1 MCULE-6838604903 [1,0,0,0,0,0|1,0,1]=3 502 B6R1.2 O[C@H]1CCNC1 MCULE-1100098088 [1,0,0,0,0,0|2,0,1]=4 503 B6R1.2 O[C@H]1CCNC1 MCULE-3493644065 [1,0,0,0,0,0|2,0,1]=4 504 B6R1.2 O[C@H]1CCNC1 MCULE-3778918259 [1,0,0,0,0,0|2,0,1]=4 505 B6R1.2 O[C@H]1CCNC1 MCULE-4680162054 [1,0,0,0,0,0|2,0,1]=4 506 B6R1.2 O[C@H]1CCOC1 MCULE-8518846297 [1,0,0,0,0,0|1,0,2]=4 507 B6R1.2 O[C@H]1CCOC1 MCULE-9544747995 [1,0,0,0,0,0|1,0,2]=4 508 B6R1.2 O[C@H]1CNOC1 MCULE-1746817114 [1,0,0,0,0,0|1,0,1]=3 509 B6R1.2 O[C@H]1CNOC1 MCULE-4469396812 [1,0,0,0,0,0|1,0,1]=3 510 B6R1.2 O[C@H]1CNOC1 MCULE-7167785164 [1,0,0,0,0,0|1,0,1]=3 511 B6R1.2 O[C@H]1CNOC1 MCULE-8409877332 [1,0,0,0,0,0|1,0,1]=3 512 B6R1.2 S=C1CCCN1 MCULE-1089290822 [1,0,0,0,0,0|1,1,0]=3 513 B6R1.2 S=C1NCCN1 MCULE-3300710815 [1,0,0,0,0,0|2,1,0]=4 514 B6R1.2 SC1CCOC1 MCULE-9247906418 [1,0,0,0,0,0|1,1,1]=4 515 B8R1.11 CCC1CCCC1=O MCULE-1884299455 [0,1,0,0,0,0|3,0,0]=4 516 B8R1.11 CCC1CCNC1=O MCULE-8307536027 [0,1,0,0,0,0|2,0,0]=3 517 B8R1.11 CCC1CCOC1=O MCULE-2375464273 [0,1,0,0,0,0|3,0,0]=4 518 B8R1.11 CCC1COCC1=O MCULE-5486171882 [0,1,0,0,0,0|2,0,0]=3 519 B8R1.11 CCC1COCC1N MCULE-2113082654 [0,1,0,0,0,0|2,0,1]=4 520 B8R1.11 CCN1CCNC1=O MCULE-8168665695 [0,1,0,0,0,0|3,0,0]=4 521 B8R1.11 CNC1CCNC1=O MCULE-1302732570 [0,1,0,0,0,0|1,0,0]=2 522 B8R1.11 CNC1CCNC1=O MCULE-7065523709 [0,1,0,0,0,0|1,0,0]=2 523 B8R1.11 CNC1COCC1O MCULE-3213649270 [0,1,0,0,0,0|1,0,2]=4 524 B8R1.11 CNC1COCC1O MCULE-9580482754 [0,1,0,0,0,0|1,0,2]=4 525 B8R1.11 CN[C@H]1COC[C@@H]1O MCULE-2473921085 [0,1,0,0,0,0|1,0,2]=4 526 B8R1.11 CN[C@H]1COC[C@@H]1O MCULE-3126899770 [0,1,0,0,0,0|1,0,2]=4 527 B8R1.11 CN[C@H]1COC[C@@H]1O MCULE-7521708435 [0,1,0,0,0,0|1,0,2]=4 528 B8R1.11 CN[C@H]1COC[C@@H]1O MCULE-9503537203 [0,1,0,0,0,0|1,0,2]=4 529 B8R1.11 COC1CCCC1=O MCULE-2741778082 [0,1,0,0,0,0|3,0,0]=4 530 B8R1.11 COC1CCOC1=O MCULE-6321591157 [0,1,0,0,0,0|3,0,0]=4 531 B8R1.11 COC1COCC1=O MCULE-2097991610 [0,1,0,0,0,0|2,0,0]=3 532 B8R1.11 COC1COCC1N MCULE-6188451020 [0,1,0,0,0,0|1,0,2]=4 533 B8R1.11 COC1COCC1N MCULE-7557608634 [0,1,0,0,0,0|1,0,2]=4 534 B8R1.11 CO[C@@H]1COC[C@@H]1N MCULE-3467113726 [0,1,0,0,0,0|1,0,2]=4 535 B8R1.11 CO[C@@H]1COC[C@@H]1N MCULE-3863734761 [0,1,0,0,0,0|1,0,2]=4 536 B8R1.11 CO[C@@H]1COC[C@@H]1N MCULE-8760768893 [0,1,0,0,0,0|1,0,2]=4 537 B8R1.11 CO[C@@H]1COC[C@@H]1N MCULE-9860387973 [0,1,0,0,0,0|1,0,2]=4 538 B8R1.11 CO[C@@H]1COC[C@H]1N MCULE-1558766585 [0,1,0,0,0,0|1,0,2]=4 539 B8R1.11 CO[C@@H]1COC[C@H]1N MCULE-2616949947 [0,1,0,0,0,0|1,0,2]=4 540 B8R1.11 CO[C@@H]1COC[C@H]1N MCULE-3846862415 [0,1,0,0,0,0|1,0,2]=4 541 B8R1.11 CO[C@@H]1COC[C@H]1N MCULE-7298485885 [0,1,0,0,0,0|1,0,2]=4 542 B8R1.11 CO[C@H]1COC[C@@H]1N MCULE-4582501901 [0,1,0,0,0,0|1,0,2]=4 543 B8R1.11 CO[C@H]1COC[C@@H]1N MCULE-8842335446 [0,1,0,0,0,0|1,0,2]=4 544 B8R1.11 CO[C@H]1COC[C@@H]1N MCULE-9594556693 [0,1,0,0,0,0|1,0,2]=4 545 B8R1.11 CO[C@H]1COC[C@@H]1N MCULE-9701067125 [0,1,0,0,0,0|1,0,2]=4 546 B8R1.11 CO[C@H]1COC[C@H]1N MCULE-9067624195 [0,1,0,0,0,0|1,0,2]=4 547 B8R1.11 N#CC1CCCC1=O MCULE-6254621629 [0,1,0,0,0,0|2,0,1]=4 548 B8R1.11 N#CC1CCOC1=O MCULE-4716981850 [0,1,0,0,0,0|2,0,1]=4 549 B8R1.11 N#CC1COCC1=O MCULE-8235489299 [0,1,0,0,0,0|1,0,1]=3 550 B8R1.11 N#CC1CSCC1=O MCULE-5156436630 [0,1,0,0,0,0|1,1,1]=4 551 B8R1.11 N#C[C@H]1COCC1=O MCULE-3727267765 [0,1,0,0,0,0|1,0,1]=3 552 B8R1.11 N#C[C@H]1CSCC1=O MCULE-1823296344 [0,1,0,0,0,0|1,1,1]=4 553 B8R1.11 NC1COCC1CO MCULE-6651647999 [0,1,0,0,0,0|1,0,2]=4 554 B8R1.11 NCC1CCCC1=O MCULE-4144323636 [0,1,0,0,0,0|2,0,0]=3 555 B8R1.11 NCC1CCCC1=O MCULE-8761719757 [0,1,0,0,0,0|2,0,0]=3 556 B8R1.11 NCC1CCOC1=O MCULE-5843107965 [0,1,0,0,0,0|2,0,0]=3 557 B8R1.11 NCC1CCOC1=O MCULE-6077637171 [0,1,0,0,0,0|2,0,0]=3 558 B8R1.11 NCC1COCC1O MCULE-7629136815 [0,1,0,0,0,0|1,0,2]=4 559 B8R1.11 NCC1COCC1O MCULE-9331285001 [0,1,0,0,0,0|1,0,2]=4 560 B8R1.11 NC[C@@H]1COC[C@@H]1O MCULE-1244186811 [0,1,0,0,0,0|1,0,2]=4 561 B8R1.11 NC[C@@H]1COC[C@@H]1O MCULE-6610306543 [0,1,0,0,0,0|1,0,2]=4 562 B8R1.11 NC[C@@H]1COC[C@H]1O MCULE-3050365915 [0,1,0,0,0,0|1,0,2]=4 563 B8R1.11 NC[C@@H]1COC[C@H]1O MCULE-7562651947 [0,1,0,0,0,0|1,0,2]=4 564 B8R1.11 NC[C@H]1COC[C@@H]1O MCULE-3389541880 [0,1,0,0,0,0|1,0,2]=4 565 B8R1.11 NC[C@H]1COC[C@@H]1O MCULE-4457950567 [0,1,0,0,0,0|1,0,2]=4 566 B8R1.11 NC[C@H]1COC[C@@H]1O MCULE-8588609893 [0,1,0,0,0,0|1,0,2]=4 567 B8R1.11 NC[C@H]1COC[C@@H]1O MCULE-9441669251 [0,1,0,0,0,0|1,0,2]=4 568 B8R1.11 NC[C@H]1COC[C@H]1O MCULE-8711391145 [0,1,0,0,0,0|1,0,2]=4 569 B8R1.11 NC[C@H]1COC[C@H]1O MCULE-9812036421 [0,1,0,0,0,0|1,0,2]=4 570 B8R1.11 NOC1CCOC1=O MCULE-1912651031 [0,1,0,0,0,0|2,0,0]=3 571 B8R1.11 N[C@@H]1COC[C@@H]1CO MCULE-8267820303 [0,1,0,0,0,0|1,0,2]=4 572 B8R1.11 N[C@@H]1COC[C@H]1CO MCULE-3070797384 [0,1,0,0,0,0|1,0,2]=4 573 B8R1.11 N[C@@H]1COC[C@H]1CO MCULE-4572096805 [0,1,0,0,0,0|1,0,2]=4 574 B8R1.11 N[C@H]1COC[C@@H]1CO MCULE-2948740480 [0,1,0,0,0,0|1,0,2]=4 575 B8R1.11 N[C@H]1COC[C@H]1CO MCULE-3409455124 [0,1,0,0,0,0|1,0,2]=4 576 B8R1.11 N[C@H]1COC[C@H]1CO MCULE-6058647833 [0,1,0,0,0,0|1,0,2]=4 577 B8R1.11 N[C@H]1COC[C@H]1CO MCULE-6847790594 [0,1,0,0,0,0|1,0,2]=4 578 B8R1.11 N[C@H]1COC[C@H]1CO MCULE-8456266436 [0,1,0,0,0,0|1,0,2]=4 579 B8R1.11 O=C1CCCC1CO MCULE-9171970685 [0,1,0,0,0,0|3,0,0]=4 580 B8R1.11 O=C1NCCC1CO MCULE-8442279545 [0,1,0,0,0,0|2,0,0]=3 581 B8R1.11 O=C1NCC[C@@H]1CO MCULE-5339343040 [0,1,0,0,0,0|2,0,0]=3 582 B8R1.11 O=CC1CCOC1=O MCULE-6358043470 [0,1,0,0,0,0|3,0,0]=4 583 B8R1.11 [C@H]1(COC[C@@H]1CN)O MCULE-1038770438 [0,1,0,0,0,0|1,0,2]=4 584 B8R1.11 [C@H]1(COC[C@H]1CN)O MCULE-3362382906 [0,1,0,0,0,0|1,0,2]=4 585 B8R1.11 [C@H]1(COC[C@H]1CN)O MCULE-8153203630 [0,1,0,0,0,0|1,0,2]=4 586 B8R1.18 CC1CC(=O)NC1=O MCULE-2962850802 [0,1,0,0,0,0|2,0,0]=3 587 B8R1.18 CC1CC(=O)OC1=O MCULE-6043315810 [0,1,0,0,0,0|3,0,0]=4 588 B8R1.18 CC1CC(C(=O)O1)Br MCULE-3628819780 [0,1,0,0,0,0|3,0,0]=4 589 B8R1.18 CC1CC(C(=O)O1)N MCULE-4414809681 [0,1,0,0,0,0|2,0,0]=3 590 B8R1.18 CC1CC(C(=O)O1)N MCULE-7247771680 [0,1,0,0,0,0|2,0,0]=3 591 B8R1.18 CC1CN(CC1=O)C MCULE-3780339739 [0,1,0,0,0,0|3,0,0]=4 592 B8R1.18 CC1NC(=O)NC1=O MCULE-4619149186 [0,1,0,0,0,0|3,0,0]=4 593 B8R1.18 CC1NC(=S)NC1=O MCULE-8518769044 [0,1,0,0,0,0|3,0,0]=4 594 B8R1.18 CC1OC(=O)NC1=O MCULE-8191598152 [0,1,0,0,0,0|3,0,0]=4 595 B8R1.18 CC1SC(=O)NC1=O MCULE-9249450232 [0,1,0,0,0,0|3,0,0]=4 596 B8R1.18 CN1CC(=O)NC1=O MCULE-6246850639 [0,1,0,0,0,0|3,0,0]=4 597 B8R1.18 C[C@@H]1CC(=O)NC1=O MCULE-9043552998 [0,1,0,0,0,0|2,0,0]=3 598 B8R1.18 C[C@@H]1NC(=O)NC1=O MCULE-1126054848 [0,1,0,0,0,0|3,0,0]=4 599 B8R1.18 C[C@H]1CC(=O)OC1=O MCULE-7764909201 [0,1,0,0,0,0|3,0,0]=4 600 B8R1.18 C[C@H]1NC(=O)NC1=O MCULE-5443325319 [0,1,0,0,0,0|3,0,0]=4 601 B8R1.18 NC1CC(=O)NC1=O MCULE-6692452440 [0,1,0,0,0,0|1,0,0]=2 602 B8R1.18 NC1CC(=O)NC1=O MCULE-8447671567 [0,1,0,0,0,0|1,0,0]=2 603 B8R1.18 NC1CC(=O)OC1=O MCULE-1406790351 [0,1,0,0,0,0|2,0,0]=3 604 B8R1.18 NC1CC(=O)OC1=O MCULE-2807590870 [0,1,0,0,0,0|2,0,0]=3 605 B8R1.18 NC1SC(=O)NC1=O MCULE-8460816262 [0,1,0,0,0,0|2,0,0]=3 606 B8R1.18 NN1CC(=O)NC1=O MCULE-6319474334 [0,1,0,0,0,0|2,0,0]=3 607 B8R1.18 NN1CC(=O)NC1=O MCULE-7370713803 [0,1,0,0,0,0|2,0,0]=3 608 B8R1.18 N[C@@H]1CC(=O)NC1=O MCULE-1292090753 [0,1,0,0,0,0|1,0,0]=2 609 B8R1.18 N[C@@H]1CC(=O)NC1=O MCULE-9676397018 [0,1,0,0,0,0|1,0,0]=2 610 B8R1.18 N[C@@H]1CC(=O)OC1=O MCULE-1937927503 [0,1,0,0,0,0|2,0,0]=3 611 B8R1.18 N[C@@H]1CC(=O)OC1=O MCULE-2080587685 [0,1,0,0,0,0|2,0,0]=3 612 B8R1.18 N[C@@H]1CC(=O)OC1=O MCULE-8793349665 [0,1,0,0,0,0|2,0,0]=3 613 B8R1.18 N[C@@H]1CC(=O)OC1=O MCULE-9640337170 [0,1,0,0,0,0|2,0,0]=3 614 B8R1.18 N[C@H]1CC(=O)NC1=O MCULE-1052396743 [0,1,0,0,0,0|1,0,0]=2 615 B8R1.18 N[C@H]1CC(=O)NC1=O MCULE-1965803095 [0,1,0,0,0,0|1,0,0]=2 616 B8R1.18 N[C@H]1CC(=O)OC1=O MCULE-3191926438 [0,1,0,0,0,0|2,0,0]=3 617 B8R1.18 N[C@H]1CC(=O)OC1=O MCULE-4503342222 [0,1,0,0,0,0|2,0,0]=3 618 B8R1.18 O=C1NC(=O)C(N1)Br MCULE-9177153028 [0,1,0,0,0,0|3,0,0]=4 619 B8R1.18 O=C1NC(=O)C(S1)Br MCULE-7635505691 [0,1,0,0,0,0|3,0,0]=4 620 B8R1.19 CC1(CC=CC1=O)C MCULE-5478168383 [0,1,0,0,0,0|3,0,0]=4 621 B8R1.19 CC1(CCCC1=O)C MCULE-2010694408 [0,1,0,0,0,0|3,0,0]=4 622 B8R1.19 CC1(CCCC1=O)F MCULE-5382994089 [0,1,0,0,0,0|3,0,0]=4 623 B8R1.19 CC1(CCNC1=O)C MCULE-6714447777 [0,1,0,0,0,0|2,0,0]=3 624 B8R1.19 CC1(CCNC1=O)C MCULE-7206545498 [0,1,0,0,0,0|2,0,0]=3 625 B8R1.19 CC1(CCNC1=O)N MCULE-2999548291 [0,1,0,0,0,0|1,0,0]=2 626 B8R1.19 CC1(CCNC1=O)O MCULE-2802989638 [0,1,0,0,0,0|2,0,0]=3 627 B8R1.19 CC1(CCOC1=O)Br MCULE-3061445898 [0,1,0,0,0,0|3,0,0]=4 628 B8R1.19 CC1(CCOC1=O)C MCULE-4294599964 [0,1,0,0,0,0|3,0,0]=4 629 B8R1.19 CC1(CCOC1=O)N MCULE-5332143573 [0,1,0,0,0,0|2,0,0]=3 630 B8R1.19 CC1(CCOC1=O)N MCULE-6557455932 [0,1,0,0,0,0|2,0,0]=3 631 B8R1.19 CC1(COCC1=O)C MCULE-8148059071 [0,1,0,0,0,0|2,0,0]=3 632 B8R1.19 CC1(COCC1N)C MCULE-7968039000 [0,1,0,0,0,0|2,0,1]=4 633 B8R1.19 CC1(COCC1N)C MCULE-8618492637 [0,1,0,0,0,0|2,0,1]=4 634 B8R1.19 CC1(CONC1=O)C MCULE-5889106208 [0,1,0,0,0,0|1,0,0]=2 635 B8R1.19 CC1CCNS1(=O)=O MCULE-1254365357 [0,1,0,0,0,0|3,0,0]=4 636 B8R1.19 NC1COCC1(F)F MCULE-2010512577 [0,1,0,0,0,0|2,0,1]=4 637 B8R1.19 NC1COCC1(F)F MCULE-5301593126 [0,1,0,0,0,0|2,0,1]=4 638 B8R1.19 O=C1CCCC1(F)F MCULE-7191261042 [0,1,0,0,0,0|3,0,0]=4 639 B8R1.19 O=C1CNCC1(F)F MCULE-3134434071 [0,1,0,0,0,0|3,0,0]=4 640 B8R1.19 O=C1CNCC1(F)F MCULE-3329672163 [0,1,0,0,0,0|3,0,0]=4 641 B8R1.19 O=C1NCCC1(F)F MCULE-6135502988 [0,1,0,0,0,0|2,0,0]=3 642 B8R1.50 CC1=C(C(=O)NN1)N MCULE-2893871378 [0,1,0,0,0,0|1,0,2]=4 643 B8R1.50 CC1=C(C(=O)NN1)N MCULE-8633976044 [0,1,0,0,0,0|1,0,2]=4 644 B8R1.50 CC1=C(C(=O)NO1)Cl MCULE-8820928279 [0,1,0,0,0,0|1,0,2]=4 645 B8R1.50 CC1=NNC(=O)C1Br MCULE-4287701930 [0,1,0,0,0,0|2,0,1]=4 646 B8R1.50 CC1=NNC(=O)C1C MCULE-5835053937 [0,1,0,0,0,0|2,0,1]=4 647 B8R1.50 CC1C(=O)COC1=O MCULE-4188541096 [0,1,0,0,0,0|2,0,1]=4 648 B8R1.50 CC1C(CCN1C)N MCULE-9387568843 [0,1,0,0,0,0|2,0,1]=4 649 B8R1.50 CC1CCC(=O)C1=O MCULE-7649396652 [0,1,0,0,0,0|3,0,0]=4 650 B8R1.50 CC1CCC(C1=O)C MCULE-1473375660 [0,1,0,0,0,0|3,0,0]=4 651 B8R1.50 CC1CCN(C1=O)C MCULE-1499213360 [0,1,0,0,0,0|2,0,0]=3 652 B8R1.50 CC1CNC(=O)C1C MCULE-7439537346 [0,1,0,0,0,0|2,0,0]=3 653 B8R1.50 CC1NCN(C1=O)C MCULE-2390134887 [0,1,0,0,0,0|3,0,0]=4 654 B8R1.50 CC1NCN(C1=O)C MCULE-7463423136 [0,1,0,0,0,0|3,0,0]=4 655 B8R1.50 CC1OCC(=O)C1C MCULE-5834923125 [0,1,0,0,0,0|2,0,0]=3 656 B8R1.50 CN1CCC(=O)C1=O MCULE-7541521172 [0,1,0,0,0,0|2,0,1]=4 657 B8R1.50 CN1CCC(C1=O)Br MCULE-9857530514 [0,1,0,0,0,0|2,0,0]=3 658 B8R1.50 CN1CCC(C1=O)Cl MCULE-5732339719 [0,1,0,0,0,0|2,0,0]=3 659 B8R1.50 CN1CCC(C1=O)N MCULE-2896853309 [0,1,0,0,0,0|1,0,0]=2 660 B8R1.50 CN1CCC(C1=O)N MCULE-5951659989 [0,1,0,0,0,0|1,0,0]=2 661 B8R1.50 CN1CCC(C1=O)O MCULE-6867263123 [0,1,0,0,0,0|2,0,0]=3 662 B8R1.50 CN1CCN(C1=O)C MCULE-4012400107 [0,1,0,0,0,0|3,0,0]=4 663 B8R1.50 CN1CC[C@@H](C1=O)N MCULE-3820062607 [0,1,0,0,0,0|1,0,0]=2 664 B8R1.50 CN1CC[C@@H](C1=O)N MCULE-7270649984 [0,1,0,0,0,0|1,0,0]=2 665 B8R1.50 CN1CC[C@@H](C1=O)N MCULE-8015311112 [0,1,0,0,0,0|1,0,0]=2 666 B8R1.50 CN1CC[C@H](C1=O)N MCULE-1278006515 [0,1,0,0,0,0|1,0,0]=2 667 B8R1.50 CN1CC[C@H](C1=O)N MCULE-3751335664 [0,1,0,0,0,0|1,0,0]=2 668 B8R1.50 CN1CC[C@H](C1=O)N MCULE-4883949932 [0,1,0,0,0,0|1,0,0]=2 669 B8R1.50 CN1CC[C@H](C1=O)N MCULE-7143065464 [0,1,0,0,0,0|1,0,0]=2 670 B8R1.50 CN1N=CN(C1=O)N MCULE-8289494181 [0,1,0,0,0,0|2,0,1]=4 671 B8R1.50 NC1CCN(C1=O)O MCULE-3774736319 [0,1,0,0,0,0|1,0,0]=2 672 B8R1.50 NN1C(=O)CNC1=O MCULE-3172416594 [0,1,0,0,0,0|2,0,1]=4 673 B8R1.50 NN1C(=O)NNC1=O MCULE-6234762498 [0,1,0,0,0,0|2,0,1]=4 674 B8R1.50 N[C@@H]1C(=O)NC[C@H]1O MCULE-6840872048 [0,1,0,0,0,0|1,0,0]=2 675 B8R1.50 N[C@@H]1CCN(C1=O)O MCULE-1260256164 [0,1,0,0,0,0|1,0,0]=2 676 B8R1.50 N[C@@H]1CCN(C1=O)O MCULE-9067133595 [0,1,0,0,0,0|1,0,0]=2 677 B8R1.50 N[C@H]1CCN(C1=O)O MCULE-1056806464 [0,1,0,0,0,0|1,0,0]=2 678 B8R1.50 O=C1COC(=O)C1Br MCULE-7458581655 [0,1,0,0,0,0|2,0,1]=4 679 B8R1.50 O=C1COC(=O)C1Cl MCULE-1326411169 [0,1,0,0,0,0|2,0,1]=4 680 B8R1.50 O=C1OCC(C1O)O MCULE-9766741798 [0,1,0,0,0,0|3,0,0]=4 681 B8R1.50 O=C1OC[C@@H]([C@@H]1Br)O MCULE-5447777048 [0,1,0,0,0,0|3,0,0]=4 682 B8R1.50 O=C1OC[C@@H]([C@@H]1Br)O MCULE-8691985034 [0,1,0,0,0,0|3,0,0]=4 683 B8R1.50 O=C1OC[C@@H]([C@@H]1O)O MCULE-8629460196 [0,1,0,0,0,0|3,0,0]=4 684 B8R1.50 O=C1OC[C@@H]([C@H]1O)O MCULE-7303431003 [0,1,0,0,0,0|3,0,0]=4 685 B8R1.50 O=C1OC[C@H]([C@H]1O)O MCULE-4704805755 [0,1,0,0,0,0|3,0,0]=4 686 B8R1.50 O=C1OC[C@H]([C@H]1O)O MCULE-7070309718 [0,1,0,0,0,0|3,0,0]=4 687 B8R1.50 O=C1OC[C@H]([C@H]1O)O MCULE-7824820688 [0,1,0,0,0,0|3,0,0]=4 688 B8R1.50 [NH3+]C1=C(C(=O)NN1)N MCULE-6101059606 [0,1,0,0,0,0|1,0,2]=4 689 B6R0.1 C#CC(=O)NCC MCULE-3703208943 [0,0,1,0,0,0|2,0,1]=4 690 B6R0.1 C#CC(N)COC MCULE-7083913188 [0,0,1,0,0,0|2,0,1]=4 691 B6R0.1 C(=C/C(=O)CC)\C MCULE-9250312874 [0,0,1,0,0,0|3,0,0]=4 692 B6R0.1 C=CC(=O)COC MCULE-1933195578 [0,0,1,0,0,0|2,0,1]=4 693 B6R0.1 C=CC(=O)NCC MCULE-3515057147 [0,0,1,0,0,0|2,0,1]=4 694 B6R0.1 C=CC(N)CCO MCULE-7781906138 [0,0,1,0,0,0|3,0,0]=4 695 B6R0.1 C=CC(N)COC MCULE-3217346081 [0,0,1,0,0,0|2,0,0]=3 696 B6R0.1 C=CC(O)CCN MCULE-9346205308 [0,0,1,0,0,0|3,0,0]=4 697 B6R0.1 C=CCC(=O)CN MCULE-3960819679 [0,0,1,0,0,0|2,0,1]=4 698 B6R0.1 C=CCC(=O)CN MCULE-8089375331 [0,0,1,0,0,0|2,0,1]=4 699 B6R0.1 C=CCC(C)C=O MCULE-3981206051 [0,0,1,0,0,0|3,0,0]=4 700 B6R0.1 C=CC[C@H](C)C=O MCULE-6968117309 [0,0,1,0,0,0|3,0,0]=4 701 B6R0.1 CC#CC(=O)NN MCULE-2475728417 [0,0,1,0,0,0|3,0,0]=4 702 B6R0.1 CC=CC(=O)CC MCULE-5948495959 [0,0,1,0,0,0|3,0,0]=4 703 B6R0.1 CCC(=O)CNC MCULE-3030105640 [0,0,1,0,0,0|3,0,0]=4 704 B6R0.1 CCC(=O)CNC MCULE-6945295017 [0,0,1,0,0,0|3,0,0]=4 705 B6R0.1 CCC(=O)COC MCULE-1087802011 [0,0,1,0,0,0|2,0,0]=3 706 B6R0.1 CCC(=O)CSC MCULE-3230433182 [0,0,1,0,0,0|2,1,0]=4 707 B6R0.1 CCC(=O)NOC MCULE-4440074406 [0,0,1,0,0,0|1,0,0]=2 708 B6R0.1 CCC(C)CON MCULE-7033012303 [0,0,1,0,0,0|2,0,1]=4 709 B6R0.1 CCC(N)CCN MCULE-8956610037 [0,0,1,0,0,0|2,0,1]=4 710 B6R0.1 CCC(N)COC MCULE-2103613859 [0,0,1,0,0,0|2,0,1]=4 711 B6R0.1 CCC(N)COC MCULE-5835446359 [0,0,1,0,0,0|2,0,1]=4 712 B6R0.1 CCCC(=O)CBr MCULE-6276592955 [0,0,1,0,0,0|3,0,0]=4 713 B6R0.1 CCCC(=O)CC MCULE-7121523805 [0,0,1,0,0,0|3,0,0]=4 714 B6R0.1 CCCC(=O)CCl MCULE-3021809695 [0,0,1,0,0,0|3,0,0]=4 715 B6R0.1 CCCC(=O)CN MCULE-4663263123 [0,0,1,0,0,0|2,0,0]=3 716 B6R0.1 CCCC(=O)CN MCULE-6326368932 [0,0,1,0,0,0|2,0,0]=3 717 B6R0.1 CCCC(=O)CO MCULE-6518249412 [0,0,1,0,0,0|3,0,0]=4 718 B6R0.1 CCCC(=O)NN MCULE-3660167295 [0,0,1,0,0,0|3,0,0]=4 719 B6R0.1 CCCC(C)C=O MCULE-9756444218 [0,0,1,0,0,0|3,0,0]=4 720 B6R0.1 CCNC(=O)CBr MCULE-5393521747 [0,0,1,0,0,0|2,0,0]=3 721 B6R0.1 CCNC(=O)CC MCULE-8820594723 [0,0,1,0,0,0|2,0,0]=3 722 B6R0.1 CCNC(=O)CCl MCULE-7288703153 [0,0,1,0,0,0|2,0,0]=3 723 B6R0.1 CCNC(=O)CN MCULE-1913543460 [0,0,1,0,0,0|1,0,0]=2 724 B6R0.1 CCNC(=O)CN MCULE-5473845751 [0,0,1,0,0,0|1,0,0]=2 725 B6R0.1 CCNC(=O)CO MCULE-1386307800 [0,0,1,0,0,0|2,0,0]=3 726 B6R0.1 CCNC(=O)NC MCULE-7197803115 [0,0,1,0,0,0|3,0,0]=4 727 B6R0.1 CCNC(=O)NN MCULE-9055200574 [0,0,1,0,0,0|2,0,0]=3 728 B6R0.1 CCNC(=O)NO MCULE-3264850022 [0,0,1,0,0,0|3,0,0]=4 729 B6R0.1 CCNC(=O)OC MCULE-7110705188 [0,0,1,0,0,0|3,0,0]=4 730 B6R0.1 CCNC(=S)NN MCULE-9599210899 [0,0,1,0,0,0|2,1,0]=4 731 B6R0.1 CCOC(=O)CBr MCULE-1369687761 [0,0,1,0,0,0|3,0,0]=4 732 B6R0.1 CCOC(=O)CC MCULE-1639864693 [0,0,1,0,0,0|3,0,0]=4 733 B6R0.1 CCOC(=O)CCl MCULE-2200524105 [0,0,1,0,0,0|3,0,0]=4 734 B6R0.1 CCOC(=O)CF MCULE-1926097423 [0,0,1,0,0,0|3,0,0]=4 735 B6R0.1 CCOC(=O)CI MCULE-9898762324 [0,0,1,0,0,0|3,0,0]=4 736 B6R0.1 CCOC(=O)CN MCULE-2185173056 [0,0,1,0,0,0|2,0,0]=3 737 B6R0.1 CCOC(=O)CN MCULE-2628607025 [0,0,1,0,0,0|2,0,0]=3 738 B6R0.1 CCOC(=O)CO MCULE-8121340151 [0,0,1,0,0,0|3,0,0]=4 739 B6R0.1 CCOC(=O)CS MCULE-3354026239 [0,0,1,0,0,0|3,0,0]=4 740 B6R0.1 CCOC(=O)NN MCULE-9872948119 [0,0,1,0,0,0|3,0,0]=4 741 B6R0.1 CCSC(=O)CC MCULE-6361738004 [0,0,1,0,0,0|3,0,0]=4 742 B6R0.1 CC[C@@H](N)COC MCULE-2231338404 [0,0,1,0,0,0|2,0,1]=4 743 B6R0.1 CC[C@@H](N)COC MCULE-2931188781 [0,0,1,0,0,0|2,0,1]=4 744 B6R0.1 CC[C@@H](N)COC MCULE-5773677141 [0,0,1,0,0,0|2,0,1]=4 745 B6R0.1 CC[C@@H](N)COC MCULE-5939905142 [0,0,1,0,0,0|2,0,1]=4 746 B6R0.1 CC[C@H](N)COC MCULE-1115072226 [0,0,1,0,0,0|2,0,1]=4 747 B6R0.1 CC[C@H](N)COC MCULE-3917835289 [0,0,1,0,0,0|2,0,1]=4 748 B6R0.1 CC[C@H](N)COC MCULE-8706423122 [0,0,1,0,0,0|2,0,1]=4 749 B6R0.1 CC[C@H](N)COC MCULE-9406311547 [0,0,1,0,0,0|2,0,1]=4 750 B6R0.1 CNCC(=O)NN MCULE-8639164023 [0,0,1,0,0,0|3,0,0]=4 751 B6R0.1 CNNC(=O)OC MCULE-4763095719 [0,0,1,0,0,0|3,0,0]=4 752 B6R0.1 COCC(=O)CCl MCULE-7542636020 [0,0,1,0,0,0|2,0,0]=3 753 B6R0.1 COCC(=O)NN MCULE-4127487886 [0,0,1,0,0,0|2,0,0]=3 754 B6R0.1 COCC(=O)OC MCULE-8337685268 [0,0,1,0,0,0|3,0,0]=4 755 B6R0.1 COCC(C)C=O MCULE-7679332713 [0,0,1,0,0,0|2,0,0]=3 756 B6R0.1 COCC(C)CN MCULE-3223901774 [0,0,1,0,0,0|2,0,1]=4 757 B6R0.1 COCC(F)CN MCULE-2821685967 [0,0,1,0,0,0|2,0,1]=4 758 B6R0.1 COCC(F)CN MCULE-9691951401 [0,0,1,0,0,0|2,0,1]=4 759 B6R0.1 COCC(N)C#N MCULE-4816557518 [0,0,1,0,0,0|2,0,1]=4 760 B6R0.1 COCC(N)CN MCULE-1244199319 [0,0,1,0,0,0|2,0,1]=4 761 B6R0.1 COCC(N)CO MCULE-2141613120 [0,0,1,0,0,0|1,0,2]=4 762 B6R0.1 COCC(N)CO MCULE-3194232042 [0,0,1,0,0,0|1,0,2]=4 763 B6R0.1 COCC(N)CO MCULE-6545937769 [0,0,1,0,0,0|1,0,2]=4 764 B6R0.1 COCC(N)CO MCULE-7989665777 [0,0,1,0,0,0|1,0,2]=4 765 B6R0.1 COCC(O)CN MCULE-2044547388 [0,0,1,0,0,0|1,0,2]=4 766 B6R0.1 COCC(O)CN MCULE-2145726384 [0,0,1,0,0,0|1,0,2]=4 767 B6R0.1 COCC(O)CN MCULE-3637597204 [0,0,1,0,0,0|1,0,2]=4 768 B6R0.1 COC[C@@H](N)CO MCULE-2792470078 [0,0,1,0,0,0|1,0,2]=4 769 B6R0.1 COC[C@@H](N)CO MCULE-3805343572 [0,0,1,0,0,0|1,0,2]=4 770 B6R0.1 COC[C@@H](N)CO MCULE-7953239910 [0,0,1,0,0,0|1,0,2]=4 771 B6R0.1 COC[C@@H](N)CO MCULE-9178553914 [0,0,1,0,0,0|1,0,2]=4 772 B6R0.1 COC[C@@H](O)CN MCULE-2116679841 [0,0,1,0,0,0|1,0,2]=4 773 B6R0.1 COC[C@@H](O)CN MCULE-4198842123 [0,0,1,0,0,0|1,0,2]=4 774 B6R0.1 COC[C@@H](O)CN MCULE-6330998296 [0,0,1,0,0,0|1,0,2]=4 775 B6R0.1 COC[C@H](F)CN MCULE-2663238018 [0,0,1,0,0,0|2,0,1]=4 776 B6R0.1 COC[C@H](N)CO MCULE-1678153673 [0,0,1,0,0,0|1,0,2]=4 777 B6R0.1 COC[C@H](N)CO MCULE-2304967280 [0,0,1,0,0,0|1,0,2]=4 778 B6R0.1 COC[C@H](N)CO MCULE-6509090198 [0,0,1,0,0,0|1,0,2]=4 779 B6R0.1 COC[C@H](N)CO MCULE-9806530206 [0,0,1,0,0,0|1,0,2]=4 780 B6R0.1 COC[C@H](O)CN MCULE-1962346446 [0,0,1,0,0,0|1,0,2]=4 781 B6R0.1 COC[C@H](O)CN MCULE-6290984425 [0,0,1,0,0,0|1,0,2]=4 782 B6R0.1 CONC(=O)OC MCULE-9304532248 [0,0,1,0,0,0|2,0,0]=3 783 B6R0.1 CSCC(=O)NN MCULE-8151954663 [0,0,1,0,0,0|2,1,0]=4 784 B6R0.1 NCCC(=O)CN MCULE-3906468943 [0,0,1,0,0,0|3,0,0]=4 785 B6R0.1 NCCC(=O)CN MCULE-9593243702 [0,0,1,0,0,0|3,0,0]=4 786 B6R0.1 O=C(CCl)NCO MCULE-9960585064 [0,0,1,0,0,0|3,0,0]=4 787 B6R0.3 C#CC(=O)C(C)C MCULE-9471281560 [0,0,1,0,0,0|3,0,0]=4 788 B6R0.3 C(N)(CO)C(=O)N MCULE-5512645571 [0,0,1,0,0,0|0,0,0]=1 789 B6R0.3 C(N)(CO)C(=O)N MCULE-5852943337 [0,0,1,0,0,0|0,0,0]=1 790 B6R0.3 C=C(C)C(=O)NC MCULE-9515227181 [0,0,1,0,0,0|2,0,1]=4 791 B6R0.3 C=C(C)C(=O)NN MCULE-5114453960 [0,0,1,0,0,0|2,0,1]=4 792 B6R0.3 C=C(CO)C(=O)O MCULE-9731648602 [0,0,1,0,0,0|2,0,1]=4 793 B6R0.3 C=CC(=O)C(C)C MCULE-8577593172 [0,0,1,0,0,0|3,0,0]=4 794 B6R0.3 C=CC(N)C(=O)O MCULE-2000511750 [0,0,1,0,0,0|2,0,1]=4 795 B6R0.3 C=CC(N)C(=O)O MCULE-7504415267 [0,0,1,0,0,0|2,0,1]=4 796 B6R0.3 C=CC(N)C(=O)O MCULE-9012490000 [0,0,1,0,0,0|2,0,1]=4 797 B6R0.3 C=CC(N)C(=O)O MCULE-9978294266 [0,0,1,0,0,0|2,0,1]=4 798 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-3678761806 [0,0,1,0,0,0|2,0,1]=4 799 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-6682447306 [0,0,1,0,0,0|2,0,1]=4 800 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-6779191781 [0,0,1,0,0,0|2,0,1]=4 801 B6R0.3 C=C[C@H](N)C(=O)O MCULE-2657488498 [0,0,1,0,0,0|2,0,1]=4 802 B6R0.3 C=C[C@H](N)C(=O)O MCULE-5103456570 [0,0,1,0,0,0|2,0,1]=4 803 B6R0.3 C=C[C@H](N)C(=O)O MCULE-5936124947 [0,0,1,0,0,0|2,0,1]=4 804 B6R0.3 C=C[C@H](N)C(=O)O MCULE-9631686254 [0,0,1,0,0,0|2,0,1]=4 805 B6R0.3 CC(=O)C(C)CO MCULE-9026658672 [0,0,1,0,0,0|2,0,0]=3 806 B6R0.3 CC(=O)C(N)CO MCULE-4063057020 [0,0,1,0,0,0|1,0,0]=2 807 B6R0.3 CC(=O)[C@@H](N)CO MCULE-9046372356 [0,0,1,0,0,0|1,0,0]=2 808 B6R0.3 CC(C#N)C(=O)N MCULE-2138676966 [0,0,1,0,0,0|2,0,1]=4 809 B6R0.3 CC(C)/C(=N/O)/Cl MCULE-8655360746 [0,0,1,0,0,0|2,0,1]=4 810 B6R0.3 CC(C)/C(=N/O)/N MCULE-4474697690 [0,0,1,0,0,0|2,0,1]=4 811 B6R0.3 CC(C)C(=N)NN MCULE-9932640155 [0,0,1,0,0,0|3,0,0]=4 812 B6R0.3 CC(C)C(=N)NO MCULE-9934498877 [0,0,1,0,0,0|2,0,0]=3 813 B6R0.3 CC(C)C(=O)CBr MCULE-5913227185 [0,0,1,0,0,0|3,0,0]=4 814 B6R0.3 CC(C)C(=O)CCl MCULE-4093256141 [0,0,1,0,0,0|3,0,0]=4 815 B6R0.3 CC(C)C(=O)CN MCULE-6091425997 [0,0,1,0,0,0|3,0,0]=4 816 B6R0.3 CC(C)C(=O)CN MCULE-7368122425 [0,0,1,0,0,0|3,0,0]=4 817 B6R0.3 CC(C)C(=O)CO MCULE-8746789873 [0,0,1,0,0,0|2,0,0]=3 818 B6R0.3 CC(C)C(=O)NN MCULE-1262854337 [0,0,1,0,0,0|2,0,0]=3 819 B6R0.3 CC(C)C(N)CO MCULE-2361921763 [0,0,1,0,0,0|2,0,1]=4 820 B6R0.3 CC(C)C(N)CO MCULE-2989454077 [0,0,1,0,0,0|2,0,1]=4 821 B6R0.3 CC(C)C(N)CO MCULE-9793548365 [0,0,1,0,0,0|2,0,1]=4 822 B6R0.3 CC(C)[C@@H](N)CO MCULE-1135743088 [0,0,1,0,0,0|2,0,1]=4 823 B6R0.3 CC(C)[C@@H](N)CO MCULE-3994511291 [0,0,1,0,0,0|2,0,1]=4 824 B6R0.3 CC(C)[C@H](N)CO MCULE-2625936994 [0,0,1,0,0,0|2,0,1]=4 825 B6R0.3 CC(C)[C@H](N)CO MCULE-3229973889 [0,0,1,0,0,0|2,0,1]=4 826 B6R0.3 CC(C)[C@H](N)CO MCULE-6090001117 [0,0,1,0,0,0|2,0,1]=4 827 B6R0.3 CC(C)[C@H](N)CO MCULE-8284816696 [0,0,1,0,0,0|2,0,1]=4 828 B6R0.3 CC(CBr)C(=O)O MCULE-1430003780 [0,0,1,0,0,0|3,0,0]=4 829 B6R0.3 CC(CF)C(=O)O MCULE-7390028409 [0,0,1,0,0,0|3,0,0]=4 830 B6R0.3 CC(CN)C(=O)O MCULE-5485986433 [0,0,1,0,0,0|3,0,0]=4 831 B6R0.3 CC(CN)C(=O)O MCULE-5638884438 [0,0,1,0,0,0|3,0,0]=4 832 B6R0.3 CC(CO)C(=O)O MCULE-2772009804 [0,0,1,0,0,0|2,0,0]=3 833 B6R0.3 CC(CO)C(=O)[O-] MCULE-6956620176 [0,0,1,0,0,0|2,0,0]=3 834 B6R0.3 CC(CO)N(=O)=O MCULE-5856696728 [0,0,1,0,0,0|3,0,0]=4 835 B6R0.3 CC(CO)N(C)N MCULE-8306784573 [0,0,1,0,0,0|3,0,0]=4 836 B6R0.3 CC(CS)C(=O)O MCULE-9982386135 [0,0,1,0,0,0|2,1,0]=4 837 B6R0.3 CC(N)C(C)CO MCULE-8179225289 [0,0,1,0,0,0|2,0,1]=4 838 B6R0.3 CC(N)C(O)CO MCULE-8191126136 [0,0,1,0,0,0|1,0,2]=4 839 B6R0.3 CC(O)/C(=N/O)/N MCULE-6135321689 [0,0,1,0,0,0|2,0,1]=4 840 B6R0.3 CC(O)C(=O)NN MCULE-4510079670 [0,0,1,0,0,0|2,0,0]=3 841 B6R0.3 CC(O)C(N)CO MCULE-7733336449 [0,0,1,0,0,0|1,0,2]=4 842 B6R0.3 CCC(=O)C(C)Br MCULE-2803556971 [0,0,1,0,0,0|3,0,0]=4 843 B6R0.3 CCC(=O)C(C)C MCULE-9576230007 [0,0,1,0,0,0|3,0,0]=4 844 B6R0.3 CCC(=O)C(C)Cl MCULE-8346980404 [0,0,1,0,0,0|3,0,0]=4 845 B6R0.3 CCC(=O)C(C)N MCULE-5434634349 [0,0,1,0,0,0|2,0,0]=3 846 B6R0.3 CCC(=O)C(C)N MCULE-8408562669 [0,0,1,0,0,0|2,0,0]=3 847 B6R0.3 CCC(=O)C(C)O MCULE-4144791660 [0,0,1,0,0,0|3,0,0]=4 848 B6R0.3 CCC(=O)C(C)S MCULE-3934356624 [0,0,1,0,0,0|3,0,0]=4 849 B6R0.3 CCC(Br)C(=O)Br MCULE-2627972929 [0,0,1,0,0,0|3,0,0]=4 850 B6R0.3 CCC(Br)C(=O)C MCULE-7759811805 [0,0,1,0,0,0|3,0,0]=4 851 B6R0.3 CCC(Br)C(=O)Cl MCULE-1448867234 [0,0,1,0,0,0|3,0,0]=4 852 B6R0.3 CCC(Br)C(=O)N MCULE-5823441392 [0,0,1,0,0,0|2,0,0]=3 853 B6R0.3 CCC(Br)C(=O)O MCULE-4214463814 [0,0,1,0,0,0|3,0,0]=4 854 B6R0.3 CCC(C)C(=N)N MCULE-4070060089 [0,0,1,0,0,0|3,0,0]=4 855 B6R0.3 CCC(C)C(=N)N MCULE-7020524406 [0,0,1,0,0,0|3,0,0]=4 856 B6R0.3 CCC(C)C(=O)C MCULE-5294244024 [0,0,1,0,0,0|3,0,0]=4 857 B6R0.3 CCC(C)C(=O)Cl MCULE-3594098886 [0,0,1,0,0,0|3,0,0]=4 858 B6R0.3 CCC(C)C(=O)N MCULE-9298244547 [0,0,1,0,0,0|2,0,0]=3 859 B6R0.3 CCC(C)C(=O)O MCULE-5615925204 [0,0,1,0,0,0|3,0,0]=4 860 B6R0.3 CCC(C)C(=O)O MCULE-7434436828 [0,0,1,0,0,0|3,0,0]=4 861 B6R0.3 CCC(C)C(=S)N MCULE-9682279721 [0,0,1,0,0,0|2,1,0]=4 862 B6R0.3 CCC(Cl)C(=O)Cl MCULE-6260726168 [0,0,1,0,0,0|3,0,0]=4 863 B6R0.3 CCC(Cl)C(=O)N MCULE-7941338456 [0,0,1,0,0,0|2,0,0]=3 864 B6R0.3 CCC(Cl)C(=O)O MCULE-6325944516 [0,0,1,0,0,0|3,0,0]=4 865 B6R0.3 CCC(F)C(=O)O MCULE-3947852767 [0,0,1,0,0,0|3,0,0]=4 866 B6R0.3 CCC(N)C(=O)N MCULE-2662930657 [0,0,1,0,0,0|1,0,0]=2 867 B6R0.3 CCC(N)C(=O)N MCULE-5136248706 [0,0,1,0,0,0|1,0,0]=2 868 B6R0.3 CCC(N)C(=O)N MCULE-8876361903 [0,0,1,0,0,0|1,0,0]=2 869 B6R0.3 CCC(N)C(=O)N MCULE-9704177556 [0,0,1,0,0,0|1,0,0]=2 870 B6R0.3 CCC(N)C(=O)O MCULE-2132009026 [0,0,1,0,0,0|2,0,0]=3 871 B6R0.3 CCC(N)C(=O)O MCULE-7397078475 [0,0,1,0,0,0|2,0,0]=3 872 B6R0.3 CCC(N)C(=O)O MCULE-8052711911 [0,0,1,0,0,0|2,0,0]=3 873 B6R0.3 CCC(N)C(=O)O MCULE-9815187967 [0,0,1,0,0,0|2,0,0]=3 874 B6R0.3 CCC(O)C(=O)N MCULE-4290959224 [0,0,1,0,0,0|2,0,0]=3 875 B6R0.3 CCC(O)C(=O)O MCULE-1958918710 [0,0,1,0,0,0|3,0,0]=4 876 B6R0.3 CCC(O)C(=O)O MCULE-2006594131 [0,0,1,0,0,0|3,0,0]=4 877 B6R0.3 CCC(O)C(=O)[O-] MCULE-5297669254 [0,0,1,0,0,0|3,0,0]=4 878 B6R0.3 CCC(O)C(=O)[O-] MCULE-5740032698 [0,0,1,0,0,0|3,0,0]=4 879 B6R0.3 CCC(S)C(=O)C MCULE-4243782106 [0,0,1,0,0,0|3,0,0]=4 880 B6R0.3 CCC(S)C(=O)O MCULE-9887370695 [0,0,1,0,0,0|3,0,0]=4 881 B6R0.3 CCN(N)C(=O)N MCULE-8674876262 [0,0,1,0,0,0|2,0,0]=3 882 B6R0.3 CC[C@@H](Br)C(=O)O MCULE-3890418201 [0,0,1,0,0,0|3,0,0]=4 883 B6R0.3 CC[C@@H](Br)C(=O)O MCULE-5910145154 [0,0,1,0,0,0|3,0,0]=4 884 B6R0.3 CC[C@@H](C)C(=O)N MCULE-3083676357 [0,0,1,0,0,0|2,0,0]=3 885 B6R0.3 CC[C@@H](C)C(=O)N MCULE-4584753474 [0,0,1,0,0,0|2,0,0]=3 886 B6R0.3 CC[C@@H](C)C(=O)O MCULE-4225604875 [0,0,1,0,0,0|3,0,0]=4 887 B6R0.3 CC[C@@H](C)C(=O)O MCULE-6581991788 [0,0,1,0,0,0|3,0,0]=4 888 B6R0.3 CC[C@@H](Cl)C(=O)O MCULE-2496023102 [0,0,1,0,0,0|3,0,0]=4 889 B6R0.3 CC[C@@H](Cl)C(=O)O MCULE-9719915588 [0,0,1,0,0,0|3,0,0]=4 890 B6R0.3 CC[C@@H](N)C(=O)N MCULE-2790345262 [0,0,1,0,0,0|1,0,0]=2 891 B6R0.3 CC[C@@H](N)C(=O)N MCULE-3501293124 [0,0,1,0,0,0|1,0,0]=2 892 B6R0.3 CC[C@@H](N)C(=O)N MCULE-4913204798 [0,0,1,0,0,0|1,0,0]=2 893 B6R0.3 CC[C@@H](N)C(=O)N MCULE-5005994513 [0,0,1,0,0,0|1,0,0]=2 894 B6R0.3 CC[C@@H](N)C(=O)O MCULE-3824768448 [0,0,1,0,0,0|2,0,0]=3 895 B6R0.3 CC[C@@H](N)C(=O)O MCULE-7078248621 [0,0,1,0,0,0|2,0,0]=3 896 B6R0.3 CC[C@@H](N)C(=O)O MCULE-8856363896 [0,0,1,0,0,0|2,0,0]=3 897 B6R0.3 CC[C@@H](N)C(=O)O MCULE-9662763952 [0,0,1,0,0,0|2,0,0]=3 898 B6R0.3 CC[C@@H](O)C(=O)O MCULE-8118182602 [0,0,1,0,0,0|3,0,0]=4 899 B6R0.3 CC[C@@H](O)C(=O)O MCULE-9744322272 [0,0,1,0,0,0|3,0,0]=4 900 B6R0.3 CC[C@H](Br)C(=O)O MCULE-2859668715 [0,0,1,0,0,0|3,0,0]=4 901 B6R0.3 CC[C@H](Br)C(=O)O MCULE-9989821197 [0,0,1,0,0,0|3,0,0]=4 902 B6R0.3 CC[C@H](C)C(=O)O MCULE-5170193492 [0,0,1,0,0,0|3,0,0]=4 903 B6R0.3 CC[C@H](C)C(=O)O MCULE-6595467867 [0,0,1,0,0,0|3,0,0]=4 904 B6R0.3 CC[C@H](Cl)C(=O)O MCULE-8870390851 [0,0,1,0,0,0|3,0,0]=4 905 B6R0.3 CC[C@H](N)C(=O)N MCULE-1934671300 [0,0,1,0,0,0|1,0,0]=2 906 B6R0.3 CC[C@H](N)C(=O)N MCULE-3034729287 [0,0,1,0,0,0|1,0,0]=2 907 B6R0.3 CC[C@H](N)C(=O)N MCULE-6902117665 [0,0,1,0,0,0|1,0,0]=2 908 B6R0.3 CC[C@H](N)C(=O)N MCULE-9419812665 [0,0,1,0,0,0|1,0,0]=2 909 B6R0.3 CC[C@H](N)C(=O)O MCULE-3597025691 [0,0,1,0,0,0|2,0,0]=3 910 B6R0.3 CC[C@H](N)C(=O)O MCULE-5445914617 [0,0,1,0,0,0|2,0,0]=3 911 B6R0.3 CC[C@H](N)C(=O)O MCULE-7781302707 [0,0,1,0,0,0|2,0,0]=3 912 B6R0.3 CC[C@H](N)C(=O)O MCULE-8446392822 [0,0,1,0,0,0|2,0,0]=3 913 B6R0.3 CC[C@H](N)C(=[Se])O MCULE-2161876558 [0,0,1,0,0,0|2,0,1]=4 914 B6R0.3 CC[C@H](N)C(=[Se])O MCULE-6045953433 [0,0,1,0,0,0|2,0,1]=4 915 B6R0.3 CC[C@H](O)C(=O)O MCULE-4284991317 [0,0,1,0,0,0|3,0,0]=4 916 B6R0.3 CC[C@H](O)C(=O)O MCULE-6782147427 [0,0,1,0,0,0|3,0,0]=4 917 B6R0.3 CC[C@H](O)C(=O)[O-] MCULE-6073275709 [0,0,1,0,0,0|3,0,0]=4 918 B6R0.3 CN(C)C(=O)CO MCULE-8470749078 [0,0,1,0,0,0|3,0,0]=4 919 B6R0.3 CN(C)C(=O)NN MCULE-1456206497 [0,0,1,0,0,0|3,0,0]=4 920 B6R0.3 CN(C)C(=O)NO MCULE-7406409363 [0,0,1,0,0,0|2,0,0]=3 921 B6R0.3 CN(N)C(=O)NO MCULE-9258932516 [0,0,1,0,0,0|1,0,0]=2 922 B6R0.3 CNC(=O)C(C)Br MCULE-8111267694 [0,0,1,0,0,0|2,0,0]=3 923 B6R0.3 CNC(=O)C(C)C MCULE-9646758802 [0,0,1,0,0,0|2,0,0]=3 924 B6R0.3 CNC(=O)C(C)Cl MCULE-6524637023 [0,0,1,0,0,0|2,0,0]=3 925 B6R0.3 CNC(=O)C(C)N MCULE-2283707986 [0,0,1,0,0,0|1,0,0]=2 926 B6R0.3 CNC(=O)C(C)N MCULE-2976078375 [0,0,1,0,0,0|1,0,0]=2 927 B6R0.3 CNC(=O)C(C)N MCULE-5544490576 [0,0,1,0,0,0|1,0,0]=2 928 B6R0.3 CNC(=O)C(C)N MCULE-8815196909 [0,0,1,0,0,0|1,0,0]=2 929 B6R0.3 CNC(=O)C(C)O MCULE-4714977257 [0,0,1,0,0,0|2,0,0]=3 930 B6R0.3 CNC(=O)C(F)Br MCULE-5286609999 [0,0,1,0,0,0|3,0,0]=4 931 B6R0.3 CNC(=O)C(F)Cl MCULE-4826706725 [0,0,1,0,0,0|3,0,0]=4 932 B6R0.3 CNC(=O)C(F)I MCULE-3976975586 [0,0,1,0,0,0|3,0,0]=4 933 B6R0.3 CNC(=O)N(C)C MCULE-3799320827 [0,0,1,0,0,0|3,0,0]=4 934 B6R0.3 CNC(=O)[C@@H](C)N MCULE-4498032248 [0,0,1,0,0,0|1,0,0]=2 935 B6R0.3 CNC(=O)[C@@H](C)N MCULE-6909082129 [0,0,1,0,0,0|1,0,0]=2 936 B6R0.3 CNC(=O)[C@@H](C)N MCULE-7642558844 [0,0,1,0,0,0|1,0,0]=2 937 B6R0.3 CNC(=O)[C@@H](C)N MCULE-8543898121 [0,0,1,0,0,0|1,0,0]=2 938 B6R0.3 CNC(=O)[C@@H](C)O MCULE-8955033466 [0,0,1,0,0,0|2,0,0]=3 939 B6R0.3 CNC(=O)[C@H](C)N MCULE-5297375743 [0,0,1,0,0,0|1,0,0]=2 940 B6R0.3 CNC(=O)[C@H](C)N MCULE-6807150828 [0,0,1,0,0,0|1,0,0]=2 941 B6R0.3 CNC(=O)[C@H](C)N MCULE-8365508630 [0,0,1,0,0,0|1,0,0]=2 942 B6R0.3 CNC(=O)[C@H](C)N MCULE-9773818316 [0,0,1,0,0,0|1,0,0]=2 943 B6R0.3 CNC(=O)[C@H](C)O MCULE-8015727044 [0,0,1,0,0,0|2,0,0]=3 944 B6R0.3 CNC(=S)N(C)N MCULE-5065441902 [0,0,1,0,0,0|2,1,0]=4 945 B6R0.3 CNC(C)C(=O)N MCULE-1426280147 [0,0,1,0,0,0|3,0,0]=4 946 B6R0.3 CNC(C)C(=O)N MCULE-2344663168 [0,0,1,0,0,0|3,0,0]=4 947 B6R0.3 CN[C@@H](C)C(=O)N MCULE-3316985921 [0,0,1,0,0,0|3,0,0]=4 948 B6R0.3 COC(=O)C(C)Br MCULE-8218697195 [0,0,1,0,0,0|3,0,0]=4 949 B6R0.3 COC(=O)C(C)C MCULE-8740211817 [0,0,1,0,0,0|3,0,0]=4 950 B6R0.3 COC(=O)C(C)Cl MCULE-5874523100 [0,0,1,0,0,0|3,0,0]=4 951 B6R0.3 COC(=O)C(C)Cl MCULE-7725109837 [0,0,1,0,0,0|3,0,0]=4 952 B6R0.3 COC(=O)C(C)F MCULE-2381396302 [0,0,1,0,0,0|3,0,0]=4 953 B6R0.3 COC(=O)C(C)N MCULE-6823731158 [0,0,1,0,0,0|2,0,0]=3 954 B6R0.3 COC(=O)C(C)N MCULE-7003387212 [0,0,1,0,0,0|2,0,0]=3 955 B6R0.3 COC(=O)C(C)N MCULE-8331503444 [0,0,1,0,0,0|2,0,0]=3 956 B6R0.3 COC(=O)C(C)N MCULE-8860467123 [0,0,1,0,0,0|2,0,0]=3 957 B6R0.3 COC(=O)C(C)O MCULE-7040827393 [0,0,1,0,0,0|3,0,0]=4 958 B6R0.3 COC(=O)C(C)O MCULE-7872489483 [0,0,1,0,0,0|3,0,0]=4 959 B6R0.3 COC(=O)C(C)S MCULE-8499044680 [0,0,1,0,0,0|3,0,0]=4 960 B6R0.3 COC(=O)N(C)N MCULE-4131925989 [0,0,1,0,0,0|3,0,0]=4 961 B6R0.3 COC(=O)[C@@H](C)Br MCULE-8118895575 [0,0,1,0,0,0|3,0,0]=4 962 B6R0.3 COC(=O)[C@@H](C)Cl MCULE-1037727130 [0,0,1,0,0,0|3,0,0]=4 963 B6R0.3 COC(=O)[C@@H](C)F MCULE-4776326501 [0,0,1,0,0,0|3,0,0]=4 964 B6R0.3 COC(=O)[C@@H](C)F MCULE-8049982812 [0,0,1,0,0,0|3,0,0]=4 965 B6R0.3 COC(=O)[C@@H](C)N MCULE-6142127864 [0,0,1,0,0,0|2,0,0]=3 966 B6R0.3 COC(=O)[C@@H](C)N MCULE-6606835410 [0,0,1,0,0,0|2,0,0]=3 967 B6R0.3 COC(=O)[C@@H](C)N MCULE-7979979694 [0,0,1,0,0,0|2,0,0]=3 968 B6R0.3 COC(=O)[C@@H](C)N MCULE-9290287586 [0,0,1,0,0,0|2,0,0]=3 969 B6R0.3 COC(=O)[C@@H](C)O MCULE-5441095431 [0,0,1,0,0,0|3,0,0]=4 970 B6R0.3 COC(=O)[C@@H](C)O MCULE-6924152779 [0,0,1,0,0,0|3,0,0]=4 971 B6R0.3 COC(=O)[C@H](C)Cl MCULE-1009662992 [0,0,1,0,0,0|3,0,0]=4 972 B6R0.3 COC(=O)[C@H](C)Cl MCULE-7624485295 [0,0,1,0,0,0|3,0,0]=4 973 B6R0.3 COC(=O)[C@H](C)N MCULE-1665306037 [0,0,1,0,0,0|2,0,0]=3 974 B6R0.3 COC(=O)[C@H](C)N MCULE-2941352505 [0,0,1,0,0,0|2,0,0]=3 975 B6R0.3 COC(=O)[C@H](C)N MCULE-5314047552 [0,0,1,0,0,0|2,0,0]=3 976 B6R0.3 COC(=O)[C@H](C)N MCULE-7930428859 [0,0,1,0,0,0|2,0,0]=3 977 B6R0.3 COC(=O)[C@H](C)O MCULE-2590929895 [0,0,1,0,0,0|3,0,0]=4 978 B6R0.3 COC(=O)[C@H](C)O MCULE-3292709954 [0,0,1,0,0,0|3,0,0]=4 979 B6R0.3 COC(C)C(=O)N MCULE-5955494048 [0,0,1,0,0,0|3,0,0]=4 980 B6R0.3 CSC(=O)C(C)C MCULE-3533547228 [0,0,1,0,0,0|3,0,0]=4 981 B6R0.3 C[C@@H](CN)C(=O)O MCULE-4438181090 [0,0,1,0,0,0|3,0,0]=4 982 B6R0.3 C[C@@H](CN)C(=O)O MCULE-4599481344 [0,0,1,0,0,0|3,0,0]=4 983 B6R0.3 C[C@@H](CN)C(=O)O MCULE-5826933618 [0,0,1,0,0,0|3,0,0]=4 984 B6R0.3 C[C@@H](CN)C(=O)O MCULE-5914856504 [0,0,1,0,0,0|3,0,0]=4 985 B6R0.3 C[C@@H](CO)C(=O)O MCULE-1381224499 [0,0,1,0,0,0|2,0,0]=3 986 B6R0.3 C[C@@H](CO)C(=O)O MCULE-4599417419 [0,0,1,0,0,0|2,0,0]=3 987 B6R0.3 C[C@@H](O)[C@@H](N)CO MCULE-1499224916 [0,0,1,0,0,0|1,0,2]=4 988 B6R0.3 C[C@@H](O)[C@@H](N)CO MCULE-3539522955 [0,0,1,0,0,0|1,0,2]=4 989 B6R0.3 C[C@@H](O)[C@H](N)CO MCULE-1381786707 [0,0,1,0,0,0|1,0,2]=4 990 B6R0.3 C[C@@H](O)[C@H](N)CO MCULE-3627537672 [0,0,1,0,0,0|1,0,2]=4 991 B6R0.3 C[C@@H](O)[C@H](N)CO MCULE-5429038645 [0,0,1,0,0,0|1,0,2]=4 992 B6R0.3 C[C@@H](O)[C@H](N)CO MCULE-6146168744 [0,0,1,0,0,0|1,0,2]=4 993 B6R0.3 C[C@H](CN)C(=O)O MCULE-3703540023 [0,0,1,0,0,0|3,0,0]=4 994 B6R0.3 C[C@H](CN)C(=O)O MCULE-5714771083 [0,0,1,0,0,0|3,0,0]=4 995 B6R0.3 C[C@H](CN)C(=O)O MCULE-9009901306 [0,0,1,0,0,0|3,0,0]=4 996 B6R0.3 C[C@H](CN)C(=O)O MCULE-9217365463 [0,0,1,0,0,0|3,0,0]=4 997 B6R0.3 C[C@H](CO)C(=O)O MCULE-7012562122 [0,0,1,0,0,0|2,0,0]=3 998 B6R0.3 C[C@H](CO)C(=O)O MCULE-9702865885 [0,0,1,0,0,0|2,0,0]=3 999 B6R0.3 C[C@H](CO)C(=O)[O-] MCULE-5733737039 [0,0,1,0,0,0|2,0,0]=3 1000 B6R0.3 C[C@H](N)C(=O)CCl MCULE-1387458909 [0,0,1,0,0,0|2,0,0]=3 1001 B6R0.3 C[C@H](N)C(=O)CCl MCULE-3307546885 [0,0,1,0,0,0|2,0,0]=3 1002 B6R0.3 C[C@H](O)[C@@H](N)CO MCULE-5329315346 [0,0,1,0,0,0|1,0,2]=4 1003 B6R0.3 C[C@H](O)[C@@H](N)CO MCULE-7239426628 [0,0,1,0,0,0|1,0,2]=4 1004 B6R0.3 C[C@H](O)[C@@H](N)CO MCULE-7437797788 [0,0,1,0,0,0|1,0,2]=4 1005 B6R0.3 C[C@H](O)[C@H](N)CO MCULE-2378004602 [0,0,1,0,0,0|1,0,2]=4 1006 B6R0.3 C[C@H](O)[C@H](N)CO MCULE-9436764758 [0,0,1,0,0,0|1,0,2]=4 1007 B6R0.3 N#CC(Br)C(=O)N MCULE-3091108124 [0,0,1,0,0,0|2,0,1]=4 1008 B6R0.3 N#CC(N)C(=O)N MCULE-3175667831 [0,0,1,0,0,0|1,0,1]=3 1009 B6R0.3 NC(=O)/C(=N/O)/N MCULE-6909019905 [0,0,1,0,0,0|1,0,1]=3 1010 B6R0.3 NC(=O)C(Br)CBr MCULE-3438242131 [0,0,1,0,0,0|2,0,0]=3 1011 B6R0.3 NC(=O)C(Cl)CCl MCULE-9549750186 [0,0,1,0,0,0|2,0,0]=3 1012 B6R0.3 NC(=O)C(N)CO MCULE-4842751232 [0,0,1,0,0,0|0,0,0]=1 1013 B6R0.3 NC(=O)C(N)CO MCULE-6854366147 [0,0,1,0,0,0|0,0,0]=1 1014 B6R0.3 NC(=O)C(N)CS MCULE-3144051628 [0,0,1,0,0,0|0,1,0]=2 1015 B6R0.3 NC(=O)C(N)CS MCULE-7739536595 [0,0,1,0,0,0|0,1,0]=2 1016 B6R0.3 NC(=O)[C@@H](N)CO MCULE-2185844038 [0,0,1,0,0,0|0,0,0]=1 1017 B6R0.3 NC(=O)[C@@H](N)CO MCULE-3623516041 [0,0,1,0,0,0|0,0,0]=1 1018 B6R0.3 NC(=O)[C@@H](N)CO MCULE-6218638108 [0,0,1,0,0,0|0,0,0]=1 1019 B6R0.3 NC(=O)[C@@H](N)CS MCULE-9790378691 [0,0,1,0,0,0|0,1,0]=2 1020 B6R0.3 NC(=O)[C@H](N)CO MCULE-2061645482 [0,0,1,0,0,0|0,0,0]=1 1021 B6R0.3 NC(=O)[C@H](N)CO MCULE-5920366137 [0,0,1,0,0,0|0,0,0]=1 1022 B6R0.3 NC(=O)[C@H](N)CO MCULE-7612340519 [0,0,1,0,0,0|0,0,0]=1 1023 B6R0.3 NC(=O)[C@H](N)CO MCULE-7734326153 [0,0,1,0,0,0|0,0,0]=1 1024 B6R0.3 NC(=S)/C(=N/O)/N MCULE-1544637781 [0,0,1,0,0,0|1,1,1]=4 1025 B6R0.3 NC(CCl)C(=O)O MCULE-1601405489 [0,0,1,0,0,0|2,0,0]=3 1026 B6R0.3 NC(CCl)C(=O)O MCULE-3020306643 [0,0,1,0,0,0|2,0,0]=3 1027 B6R0.3 NC(CCl)C(=O)O MCULE-5440349631 [0,0,1,0,0,0|2,0,0]=3 1028 B6R0.3 NC(CF)C(=O)O MCULE-3274339636 [0,0,1,0,0,0|2,0,0]=3 1029 B6R0.3 NC(CO)C(=O)O MCULE-2425237422 [0,0,1,0,0,0|1,0,0]=2 1030 B6R0.3 NC(CO)C(=O)O MCULE-6460387318 [0,0,1,0,0,0|1,0,0]=2 1031 B6R0.3 NC(CS)C(=O)O MCULE-1666411258 [0,0,1,0,0,0|1,1,0]=3 1032 B6R0.3 NC(CS)C(=O)O MCULE-2938329352 [0,0,1,0,0,0|1,1,0]=3 1033 B6R0.3 NC(CS)C(=O)O MCULE-7203902929 [0,0,1,0,0,0|1,1,0]=3 1034 B6R0.3 NC(CS)C(=O)O MCULE-7790846545 [0,0,1,0,0,0|1,1,0]=3 1035 B6R0.3 NCC(Br)C(=O)O MCULE-2289205408 [0,0,1,0,0,0|3,0,0]=4 1036 B6R0.3 NCC(Br)C(=O)O MCULE-9361399143 [0,0,1,0,0,0|3,0,0]=4 1037 B6R0.3 NCC(F)C(=O)O MCULE-5666887061 [0,0,1,0,0,0|3,0,0]=4 1038 B6R0.3 NCC(F)C(=O)O MCULE-6134707533 [0,0,1,0,0,0|3,0,0]=4 1039 B6R0.3 NCC(N)C(=O)O MCULE-1867799207 [0,0,1,0,0,0|2,0,0]=3 1040 B6R0.3 NCC(N)C(=O)O MCULE-4853376364 [0,0,1,0,0,0|2,0,0]=3 1041 B6R0.3 NCC(N)C(=O)O MCULE-7636331821 [0,0,1,0,0,0|2,0,0]=3 1042 B6R0.3 NCC(N)C(=O)O MCULE-7735444546 [0,0,1,0,0,0|2,0,0]=3 1043 B6R0.3 NCC(N)C(=O)O MCULE-9197553017 [0,0,1,0,0,0|2,0,0]=3 1044 B6R0.3 NCC(O)C(=O)N MCULE-1543465850 [0,0,1,0,0,0|2,0,0]=3 1045 B6R0.3 NCC(O)C(=O)N MCULE-9574499203 [0,0,1,0,0,0|2,0,0]=3 1046 B6R0.3 NCC(O)C(=O)O MCULE-2137675488 [0,0,1,0,0,0|3,0,0]=4 1047 B6R0.3 NCC(O)C(=O)O MCULE-3348306437 [0,0,1,0,0,0|3,0,0]=4 1048 B6R0.3 NC[C@@H](F)C(=O)O MCULE-3544959183 [0,0,1,0,0,0|3,0,0]=4 1049 B6R0.3 NC[C@@H](F)C(=O)O MCULE-4122418685 [0,0,1,0,0,0|3,0,0]=4 1050 B6R0.3 NC[C@@H](F)C(=O)O MCULE-8592364466 [0,0,1,0,0,0|3,0,0]=4 1051 B6R0.3 NC[C@@H](F)C(=O)O MCULE-9106826144 [0,0,1,0,0,0|3,0,0]=4 1052 B6R0.3 NC[C@@H](N)C(=O)O MCULE-5363126654 [0,0,1,0,0,0|2,0,0]=3 1053 B6R0.3 NC[C@@H](N)C(=O)O MCULE-8998345978 [0,0,1,0,0,0|2,0,0]=3 1054 B6R0.3 NC[C@@H](N)C(=O)O MCULE-9125384126 [0,0,1,0,0,0|2,0,0]=3 1055 B6R0.3 NC[C@@H](O)C(=O)O MCULE-5922773276 [0,0,1,0,0,0|3,0,0]=4 1056 B6R0.3 NC[C@@H](O)C(=O)O MCULE-8921832932 [0,0,1,0,0,0|3,0,0]=4 1057 B6R0.3 NC[C@H](F)C(=O)O MCULE-2695037152 [0,0,1,0,0,0|3,0,0]=4 1058 B6R0.3 NC[C@H](F)C(=O)O MCULE-4323150722 [0,0,1,0,0,0|3,0,0]=4 1059 B6R0.3 NC[C@H](F)C(=O)O MCULE-6701791437 [0,0,1,0,0,0|3,0,0]=4 1060 B6R0.3 NC[C@H](F)C(=O)O MCULE-7674783008 [0,0,1,0,0,0|3,0,0]=4 1061 B6R0.3 NC[C@H](N)C(=O)O MCULE-1389567062 [0,0,1,0,0,0|2,0,0]=3 1062 B6R0.3 NC[C@H](N)C(=O)O MCULE-1833064192 [0,0,1,0,0,0|2,0,0]=3 1063 B6R0.3 NC[C@H](N)C(=O)O MCULE-2347369254 [0,0,1,0,0,0|2,0,0]=3 1064 B6R0.3 NC[C@H](N)C(=O)O MCULE-2781423323 [0,0,1,0,0,0|2,0,0]=3 1065 B6R0.3 NC[C@H](N)C(=O)O MCULE-6498458695 [0,0,1,0,0,0|2,0,0]=3 1066 B6R0.3 NC[C@H](N)C(=O)O MCULE-8313668715 [0,0,1,0,0,0|2,0,0]=3 1067 B6R0.3 NC[C@H](O)C(=O)O MCULE-5854124012 [0,0,1,0,0,0|3,0,0]=4 1068 B6R0.3 NC[C@H](O)C(=O)O MCULE-7536593166 [0,0,1,0,0,0|3,0,0]=4 1069 B6R0.3 NNC(=O)C(=O)N MCULE-5080628360 [0,0,1,0,0,0|2,0,1]=4 1070 B6R0.3 NNC(=O)C(F)F MCULE-4217828449 [0,0,1,0,0,0|3,0,0]=4 1071 B6R0.3 NNC(=O)C(F)F MCULE-5359326999 [0,0,1,0,0,0|3,0,0]=4 1072 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-2896868744 [0,0,1,0,0,0|2,0,0]=3 1073 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-5799339909 [0,0,1,0,0,0|2,0,0]=3 1074 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-7445121230 [0,0,1,0,0,0|2,0,0]=3 1075 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-9137000163 [0,0,1,0,0,0|2,0,0]=3 1076 B6R0.3 N[C@@H](CO)C(=O)O MCULE-4580794842 [0,0,1,0,0,0|1,0,0]=2 1077 B6R0.3 N[C@@H](CO)C(=O)O MCULE-5604658333 [0,0,1,0,0,0|1,0,0]=2 1078 B6R0.3 N[C@@H](CO)C(=O)O MCULE-5884286841 [0,0,1,0,0,0|1,0,0]=2 1079 B6R0.3 N[C@@H](CO)C(=O)O MCULE-6118038121 [0,0,1,0,0,0|1,0,0]=2 1080 B6R0.3 N[C@@H](CS)C(=O)O MCULE-1896679526 [0,0,1,0,0,0|1,1,0]=3 1081 B6R0.3 N[C@@H](CS)C(=O)O MCULE-2206038012 [0,0,1,0,0,0|1,1,0]=3 1082 B6R0.3 N[C@@H](CS)C(=O)O MCULE-6337217524 [0,0,1,0,0,0|1,1,0]=3 1083 B6R0.3 N[C@@H](CS)C(=O)O MCULE-9685479191 [0,0,1,0,0,0|1,1,0]=3 1084 B6R0.3 N[C@H](CCl)C(=O)O MCULE-2647266636 [0,0,1,0,0,0|2,0,0]=3 1085 B6R0.3 N[C@H](CCl)C(=O)O MCULE-7797369596 [0,0,1,0,0,0|2,0,0]=3 1086 B6R0.3 N[C@H](CCl)C(=O)O MCULE-8133148482 [0,0,1,0,0,0|2,0,0]=3 1087 B6R0.3 N[C@H](CCl)C(=O)O MCULE-9324545858 [0,0,1,0,0,0|2,0,0]=3 1088 B6R0.3 N[C@H](CF)C(=O)O MCULE-4766495272 [0,0,1,0,0,0|2,0,0]=3 1089 B6R0.3 N[C@H](CF)C(=O)O MCULE-7679315401 [0,0,1,0,0,0|2,0,0]=3 1090 B6R0.3 N[C@H](CO)C(=O)O MCULE-3271603208 [0,0,1,0,0,0|1,0,0]=2 1091 B6R0.3 N[C@H](CO)C(=O)O MCULE-8560981570 [0,0,1,0,0,0|1,0,0]=2 1092 B6R0.3 N[C@H](CS)C(=O)O MCULE-2137827959 [0,0,1,0,0,0|1,1,0]=3 1093 B6R0.3 N[C@H](CS)C(=O)O MCULE-4521387126 [0,0,1,0,0,0|1,1,0]=3 1094 B6R0.3 N[C@H](CS)C(=O)O MCULE-7201506202 [0,0,1,0,0,0|1,1,0]=3 1095 B6R0.3 N[C@H](CS)C(=O)O MCULE-9147562606 [0,0,1,0,0,0|1,1,0]=3 1096 B6R0.3 O=C(Cl)C(Br)CBr MCULE-8490174834 [0,0,1,0,0,0|3,0,0]=4 1097 B6R0.3 O=C(Cl)C(Cl)CCl MCULE-5571003994 [0,0,1,0,0,0|3,0,0]=4 1098 B6R0.3 O=C(O)C(=O)CO MCULE-2263002631 [0,0,1,0,0,0|2,0,1]=4 1099 B6R0.3 O=C(O)C(Br)CBr MCULE-9991448725 [0,0,1,0,0,0|3,0,0]=4 1100 B6R0.3 O=C(O)C(Br)CF MCULE-6577995297 [0,0,1,0,0,0|3,0,0]=4 1101 B6R0.3 O=C(O)C(Br)CO MCULE-9060407295 [0,0,1,0,0,0|2,0,0]=3 1102 B6R0.3 O=C(O)C(Cl)CCl MCULE-4757238565 [0,0,1,0,0,0|3,0,0]=4 1103 B6R0.3 O=C(O)C(Cl)CO MCULE-3671026398 [0,0,1,0,0,0|2,0,0]=3 1104 B6R0.3 O=C(O)C(F)CF MCULE-4323199927 [0,0,1,0,0,0|3,0,0]=4 1105 B6R0.3 O=C(O)C(O)CBr MCULE-2600199692 [0,0,1,0,0,0|3,0,0]=4 1106 B6R0.3 O=C(O)C(O)CCl MCULE-6346810624 [0,0,1,0,0,0|3,0,0]=4 1107 B6R0.3 O=C(O)C(O)CO MCULE-3634533503 [0,0,1,0,0,0|2,0,0]=3 1108 B6R0.3 O=C(O)[C@@H](Br)CO MCULE-4486884639 [0,0,1,0,0,0|2,0,0]=3 1109 B6R0.3 O=C(O)[C@@H](Br)CO MCULE-8586594526 [0,0,1,0,0,0|2,0,0]=3 1110 B6R0.3 O=C(O)[C@@H](O)CCl MCULE-4927034524 [0,0,1,0,0,0|3,0,0]=4 1111 B6R0.3 O=C(O)[C@@H](O)CO MCULE-4917119993 [0,0,1,0,0,0|2,0,0]=3 1112 B6R0.3 O=C(O)[C@@H](O)CO MCULE-7996851129 [0,0,1,0,0,0|2,0,0]=3 1113 B6R0.3 O=C(O)[C@H](Br)CO MCULE-3770944978 [0,0,1,0,0,0|2,0,0]=3 1114 B6R0.3 O=C(O)[C@H](Br)CO MCULE-6926119866 [0,0,1,0,0,0|2,0,0]=3 1115 B6R0.3 O=C(O)[C@H](O)CF MCULE-4453713074 [0,0,1,0,0,0|3,0,0]=4 1116 B6R0.3 O=C([O-])[C@@H](O)CO MCULE-4498291090 [0,0,1,0,0,0|2,0,0]=3 1117 B6R0.3 O=N(=O)C(Br)CO MCULE-2147001744 [0,0,1,0,0,0|3,0,0]=4 1118 B6R0.3 [C@@H](N)(C=C)C(=O)O MCULE-9406839633 [0,0,1,0,0,0|2,0,1]=4 1119 B6R0.3 [C@@H](N)(CN)C(=O)O MCULE-2844054083 [0,0,1,0,0,0|2,0,0]=3 1120 B6R0.3 [C@H](C)(Cl)C(=O)OC MCULE-7212330759 [0,0,1,0,0,0|3,0,0]=4 1121 B6R0.3 [C@H](N)(CO)C(=O)N MCULE-2792784400 [0,0,1,0,0,0|0,0,0]=1 1122 B6R0.3 [C@H](S)(CC)C(=O)O MCULE-4267293279 [0,0,1,0,0,0|3,0,0]=4 1123 B6R0.3 [SeH]C[C@H](N)C(=O)O MCULE-8205075370 [0,0,1,0,0,0|1,1,0]=3 1124 B6R0.6 C#CCOCCN MCULE-3709649461 [0,0,1,0,0,0|2,0,1]=4 1125 B6R0.6 C#CCOCCN MCULE-5750437888 [0,0,1,0,0,0|2,0,1]=4 1126 B6R0.6 C=CC=CCCN MCULE-8129949310 [0,0,1,0,0,0|3,0,0]=4 1127 B6R0.6 C=CCCCCN MCULE-1489231988 [0,0,1,0,0,0|3,0,0]=4 1128 B6R0.6 C=CCCCCN MCULE-4288584778 [0,0,1,0,0,0|3,0,0]=4 1129 B6R0.6 C=CCOCC=O MCULE-8507800253 [0,0,1,0,0,0|2,0,1]=4 1130 B6R0.6 C=CCOCCBr MCULE-7565992230 [0,0,1,0,0,0|3,0,0]=4 1131 B6R0.6 C=CCOCCCl MCULE-1353236332 [0,0,1,0,0,0|3,0,0]=4 1132 B6R0.6 C=CCOCCI MCULE-8468439129 [0,0,1,0,0,0|3,0,0]=4 1133 B6R0.6 C=CCOCCN MCULE-5411259412 [0,0,1,0,0,0|2,0,0]=3 1134 B6R0.6 C=CCOCCN MCULE-9798285838 [0,0,1,0,0,0|2,0,0]=3 1135 B6R0.6 C=CCOCCO MCULE-5718868633 [0,0,1,0,0,0|3,0,0]=4 1136 B6R0.6 C=CCSCCN MCULE-3972995930 [0,0,1,0,0,0|2,1,0]=4 1137 B6R0.6 C=CCSCCN MCULE-9922932955 [0,0,1,0,0,0|2,1,0]=4 1138 B6R0.6 C=COCCCN MCULE-1669664157 [0,0,1,0,0,0|3,0,0]=4 1139 B6R0.6 CCC/C=C/C=O MCULE-3059768922 [0,0,1,0,0,0|3,0,0]=4 1140 B6R0.6 CCCC=CC=O MCULE-5273169296 [0,0,1,0,0,0|3,0,0]=4 1141 B6R0.6 CCCCCC=O MCULE-6770578514 [0,0,1,0,0,0|3,0,0]=4 1142 B6R0.6 CCCCNC=O MCULE-8821792924 [0,0,1,0,0,0|2,0,0]=3 1143 B6R0.6 CCCCOC=O MCULE-4633421026 [0,0,1,0,0,0|3,0,0]=4 1144 B6R0.6 CCCOCCN MCULE-1987261931 [0,0,1,0,0,0|2,0,1]=4 1145 B6R0.6 CCCOCCN MCULE-9033871038 [0,0,1,0,0,0|2,0,1]=4 1146 B6R0.6 CCNCCCN MCULE-5811169148 [0,0,1,0,0,0|2,0,1]=4 1147 B6R0.6 COCCNC=O MCULE-9003279073 [0,0,1,0,0,0|3,0,0]=4 1148 B6R0.6 COCOCCN MCULE-7974740048 [0,0,1,0,0,0|3,0,0]=4 1149 B6R0.6 CONCCCN MCULE-4780444103 [0,0,1,0,0,0|3,0,0]=4 1150 B6R0.6 CONCCCN MCULE-6095720673 [0,0,1,0,0,0|3,0,0]=4 1151 B6R0.6 CONCCCN MCULE-9121351484 [0,0,1,0,0,0|3,0,0]=4 1152 B6R0.6 NCCCNC=O MCULE-9651299205 [0,0,1,0,0,0|1,0,0]=2 1153 B6R0.6 NCCOCCBr MCULE-6520580224 [0,0,1,0,0,0|2,0,1]=4 1154 B6R0.6 NCCOCCCl MCULE-1975521529 [0,0,1,0,0,0|2,0,1]=4 1155 B6R0.6 NCCOCCCl MCULE-9715175348 [0,0,1,0,0,0|2,0,1]=4 1156 B6R0.6 NCCOCCF MCULE-4126568309 [0,0,1,0,0,0|2,0,1]=4 1157 B6R0.6 NCCOCCF MCULE-4641621710 [0,0,1,0,0,0|2,0,1]=4 1158 B6R0.6 NCCOCCN MCULE-1630934305 [0,0,1,0,0,0|2,0,1]=4 1159 B6R0.6 NCCOCCN MCULE-3282393357 [0,0,1,0,0,0|2,0,1]=4 1160 B6R0.6 NCCOCCN MCULE-3788231540 [0,0,1,0,0,0|2,0,1]=4 1161 B6R0.6 NCCOCCO MCULE-1073574088 [0,0,1,0,0,0|1,0,2]=4 1162 B6R0.6 O=CCCCCCl MCULE-1257670284 [0,0,1,0,0,0|3,0,0]=4 1163 B6R0.6 O=CCCCCO MCULE-7959082228 [0,0,1,0,0,0|3,0,0]=4 1164 B6R0.6 O=CNCCCO MCULE-7926485528 [0,0,1,0,0,0|2,0,0]=3 1165 B8R2.4 O=C1CC2CC1C2 MCULE-5372379094 [0,0,0,1,0,0|3,0,0]=4 1166 B8R2.38 O=C1CCC2C1C2 MCULE-4714285285 [0,0,0,1,0,0|3,0,0]=4 1167 B8R2.38 O=C1CCC2C1O2 MCULE-5532735099 [0,0,0,1,0,0|3,0,0]=4 1168 B8R2.38 O=C1CC[C@@H]2[C@H]1C2 MCULE-7728867768 [0,0,0,1,0,0|3,0,0]=4 1169 B8R2.38 O=C1CC[C@H]2[C@@H]1C2 MCULE-1007541778 [0,0,0,1,0,0|3,0,0]=4 1170 B8R2.38 O=C1CC[C@H]2[C@@H]1C2 MCULE-8077752466 [0,0,0,1,0,0|3,0,0]=4 1171 B8R2.38 O=C1NCC2C1C2 MCULE-5593114305 [0,0,0,1,0,0|2,0,0]=3 1172 B8R2.38 O=C1NC[C@H]2[C@@H]1C2 MCULE-6438081695 [0,0,0,1,0,0|2,0,0]=3 1173 B6R1.4 CC1CCC1=O MCULE-4548181715 [0,0,0,0,1,0|2,0,0]=3 1174 B6R1.4 CC1CCC1N MCULE-9634057678 [0,0,0,0,1,0|2,0,1]=4 1175 B6R1.4 CC1CCC1N MCULE-9849489304 [0,0,0,0,1,0|2,0,1]=4 1176 B6R1.4 CC1CNC1=O MCULE-5523309752 [0,0,0,0,1,0|1,0,0]=2 1177 B6R1.4 CC1CNC1C MCULE-6217110869 [0,0,0,0,1,0|2,0,1]=4 1178 B6R1.4 CC1CNC1C MCULE-8966220604 [0,0,0,0,1,0|2,0,1]=4 1179 B6R1.4 CC1COC1=O MCULE-9711165188 [0,0,0,0,1,0|1,0,0]=2 1180 B6R1.4 CC1NCC1F MCULE-2205876595 [0,0,0,0,1,0|2,0,1]=4 1181 B6R1.4 CC1NCC1F MCULE-3575637458 [0,0,0,0,1,0|2,0,1]=4 1182 B6R1.4 CC1NCC1O MCULE-6512695808 [0,0,0,0,1,0|2,0,1]=4 1183 B6R1.4 CC1NCC1O MCULE-8357296054 [0,0,0,0,1,0|2,0,1]=4 1184 B6R1.4 CC1OCC1=O MCULE-7718609686 [0,0,0,0,1,0|2,0,0]=3 1185 B6R1.4 CC1OCC1O MCULE-1893283492 [0,0,0,0,1,0|2,0,1]=4 1186 B6R1.4 C[C@@H]1CC[C@@H]1N MCULE-9803413081 [0,0,0,0,1,0|2,0,1]=4 1187 B6R1.4 C[C@@H]1CC[C@H]1N MCULE-3888655890 [0,0,0,0,1,0|2,0,1]=4 1188 B6R1.4 C[C@@H]1CN[C@@H]1C MCULE-5099590573 [0,0,0,0,1,0|2,0,1]=4 1189 B6R1.4 C[C@@H]1CN[C@@H]1C MCULE-6754257002 [0,0,0,0,1,0|2,0,1]=4 1190 B6R1.4 C[C@@H]1CN[C@@H]1C MCULE-7084262632 [0,0,0,0,1,0|2,0,1]=4 1191 B6R1.4 C[C@@H]1CN[C@@H]1C MCULE-9147724667 [0,0,0,0,1,0|2,0,1]=4 1192 B6R1.4 C[C@@H]1NC[C@@H]1F MCULE-2104999017 [0,0,0,0,1,0|2,0,1]=4 1193 B6R1.4 C[C@@H]1NC[C@@H]1F MCULE-9859591204 [0,0,0,0,1,0|2,0,1]=4 1194 B6R1.4 C[C@@H]1NC[C@@H]1O MCULE-1528414534 [0,0,0,0,1,0|2,0,1]=4 1195 B6R1.4 C[C@@H]1NC[C@@H]1O MCULE-2910306067 [0,0,0,0,1,0|2,0,1]=4 1196 B6R1.4 C[C@@H]1NC[C@@H]1O MCULE-3197698089 [0,0,0,0,1,0|2,0,1]=4 1197 B6R1.4 C[C@@H]1NC[C@@H]1O MCULE-3295326997 [0,0,0,0,1,0|2,0,1]=4 1198 B6R1.4 C[C@@H]1NC[C@@H]1O MCULE-5640695802 [0,0,0,0,1,0|2,0,1]=4 1199 B6R1.4 C[C@@H]1NC[C@@H]1O MCULE-7598216076 [0,0,0,0,1,0|2,0,1]=4 1200 B6R1.4 C[C@@H]1NC[C@H]1F MCULE-2384338566 [0,0,0,0,1,0|2,0,1]=4 1201 B6R1.4 C[C@@H]1NC[C@H]1F MCULE-3761027062 [0,0,0,0,1,0|2,0,1]=4 1202 B6R1.4 C[C@@H]1NC[C@H]1F MCULE-7625337051 [0,0,0,0,1,0|2,0,1]=4 1203 B6R1.4 C[C@@H]1NC[C@H]1F MCULE-8482078532 [0,0,0,0,1,0|2,0,1]=4 1204 B6R1.4 C[C@@H]1NC[C@H]1O MCULE-3152396704 [0,0,0,0,1,0|2,0,1]=4 1205 B6R1.4 C[C@@H]1NC[C@H]1O MCULE-3248209918 [0,0,0,0,1,0|2,0,1]=4 1206 B6R1.4 C[C@@H]1NC[C@H]1O MCULE-3575939824 [0,0,0,0,1,0|2,0,1]=4 1207 B6R1.4 C[C@@H]1NC[C@H]1O MCULE-4120662394 [0,0,0,0,1,0|2,0,1]=4 1208 B6R1.4 C[C@H]1CC[C@@H]1N MCULE-1445146965 [0,0,0,0,1,0|2,0,1]=4 1209 B6R1.4 C[C@H]1CC[C@H]1N MCULE-3329522369 [0,0,0,0,1,0|2,0,1]=4 1210 B6R1.4 C[C@H]1NC[C@@H]1F MCULE-6266484815 [0,0,0,0,1,0|2,0,1]=4 1211 B6R1.4 C[C@H]1NC[C@@H]1F MCULE-9525975864 [0,0,0,0,1,0|2,0,1]=4 1212 B6R1.4 C[C@H]1NC[C@@H]1O MCULE-3510002118 [0,0,0,0,1,0|2,0,1]=4 1213 B6R1.4 C[C@H]1NC[C@@H]1O MCULE-6901722671 [0,0,0,0,1,0|2,0,1]=4 1214 B6R1.4 C[C@H]1NC[C@H]1F MCULE-6303998999 [0,0,0,0,1,0|2,0,1]=4 1215 B6R1.4 C[C@H]1NC[C@H]1F MCULE-8897044344 [0,0,0,0,1,0|2,0,1]=4 1216 B6R1.4 C[C@H]1NC[C@H]1O MCULE-1733557375 [0,0,0,0,1,0|2,0,1]=4 1217 B6R1.4 C[C@H]1NC[C@H]1O MCULE-3026150373 [0,0,0,0,1,0|2,0,1]=4 1218 B6R1.4 C[C@H]1NC[C@H]1O MCULE-7386387747 [0,0,0,0,1,0|2,0,1]=4 1219 B6R1.4 C[C@H]1NC[C@H]1O MCULE-7405032693 [0,0,0,0,1,0|2,0,1]=4 1220 B6R1.4 NC1CCC1=O MCULE-3868209809 [0,0,0,0,1,0|1,0,0]=2 1221 B6R1.4 NC1CCC1=O MCULE-9741389143 [0,0,0,0,1,0|1,0,0]=2 1222 B6R1.4 NC1CCC1F MCULE-1403984623 [0,0,0,0,1,0|2,0,1]=4 1223 B6R1.4 NC1CCC1F MCULE-8216841286 [0,0,0,0,1,0|2,0,1]=4 1224 B6R1.4 NC1CCC1N MCULE-6052332328 [0,0,0,0,1,0|2,0,1]=4 1225 B6R1.4 NC1CCC1O MCULE-4636397534 [0,0,0,0,1,0|1,0,2]=4 1226 B6R1.4 NC1CCC1O MCULE-7148132261 [0,0,0,0,1,0|1,0,2]=4 1227 B6R1.4 NC1CNC1=O MCULE-2761616663 [0,0,0,0,1,0|0,0,0]=1 1228 B6R1.4 NC1CNC1=O MCULE-3021306383 [0,0,0,0,1,0|0,0,0]=1 1229 B6R1.4 NC1CNC1=O MCULE-3943057121 [0,0,0,0,1,0|0,0,0]=1 1230 B6R1.4 NC1COC1=O MCULE-6998565452 [0,0,0,0,1,0|0,0,0]=1 1231 B6R1.4 NN1CCC1=O MCULE-6200802911 [0,0,0,0,1,0|2,0,0]=3 1232 B6R1.4 NN1CCC1=O MCULE-8249778821 [0,0,0,0,1,0|2,0,0]=3 1233 B6R1.4 N[C@@H]1CC[C@@H]1O MCULE-1054283097 [0,0,0,0,1,0|1,0,2]=4 1234 B6R1.4 N[C@@H]1CC[C@@H]1O MCULE-3905992171 [0,0,0,0,1,0|1,0,2]=4 1235 B6R1.4 N[C@@H]1CC[C@@H]1O MCULE-6111990015 [0,0,0,0,1,0|1,0,2]=4 1236 B6R1.4 N[C@@H]1CC[C@@H]1O MCULE-9101755956 [0,0,0,0,1,0|1,0,2]=4 1237 B6R1.4 N[C@@H]1CC[C@H]1N MCULE-6204977772 [0,0,0,0,1,0|2,0,1]=4 1238 B6R1.4 N[C@@H]1CC[C@H]1O MCULE-1883601377 [0,0,0,0,1,0|1,0,2]=4 1239 B6R1.4 N[C@@H]1CC[C@H]1O MCULE-6045787726 [0,0,0,0,1,0|1,0,2]=4 1240 B6R1.4 N[C@@H]1CC[C@H]1O MCULE-7120290402 [0,0,0,0,1,0|1,0,2]=4 1241 B6R1.4 N[C@@H]1CC[C@H]1O MCULE-8603369729 [0,0,0,0,1,0|1,0,2]=4 1242 B6R1.4 N[C@@H]1CNC1=O MCULE-3645662662 [0,0,0,0,1,0|0,0,0]=1 1243 B6R1.4 N[C@@H]1CNC1=O MCULE-4399212271 [0,0,0,0,1,0|0,0,0]=1 1244 B6R1.4 N[C@@H]1CNC1=O MCULE-6332076219 [0,0,0,0,1,0|0,0,0]=1 1245 B6R1.4 N[C@@H]1CNC1=O MCULE-6365012530 [0,0,0,0,1,0|0,0,0]=1 1246 B6R1.4 N[C@@H]1COC1=O MCULE-8080548213 [0,0,0,0,1,0|0,0,0]=1 1247 B6R1.4 N[C@@H]1COC1=O MCULE-9370092691 [0,0,0,0,1,0|0,0,0]=1 1248 B6R1.4 N[C@H]1CC[C@@H]1N MCULE-3551063683 [0,0,0,0,1,0|2,0,1]=4 1249 B6R1.4 N[C@H]1CC[C@@H]1O MCULE-1761694918 [0,0,0,0,1,0|1,0,2]=4 1250 B6R1.4 N[C@H]1CC[C@@H]1O MCULE-2828590958 [0,0,0,0,1,0|1,0,2]=4 1251 B6R1.4 N[C@H]1CC[C@@H]1O MCULE-3261752057 [0,0,0,0,1,0|1,0,2]=4 1252 B6R1.4 N[C@H]1CC[C@@H]1O MCULE-7711512049 [0,0,0,0,1,0|1,0,2]=4 1253 B6R1.4 N[C@H]1CC[C@H]1N MCULE-2823061893 [0,0,0,0,1,0|2,0,1]=4 1254 B6R1.4 N[C@H]1CC[C@H]1N MCULE-6752412872 [0,0,0,0,1,0|2,0,1]=4 1255 B6R1.4 N[C@H]1CC[C@H]1O MCULE-3204268809 [0,0,0,0,1,0|1,0,2]=4 1256 B6R1.4 N[C@H]1CC[C@H]1O MCULE-4184135738 [0,0,0,0,1,0|1,0,2]=4 1257 B6R1.4 N[C@H]1CNC1=O MCULE-2792436534 [0,0,0,0,1,0|0,0,0]=1 1258 B6R1.4 N[C@H]1CNC1=O MCULE-6881316562 [0,0,0,0,1,0|0,0,0]=1 1259 B6R1.4 N[C@H]1CNC1=O MCULE-8864053661 [0,0,0,0,1,0|0,0,0]=1 1260 B6R1.4 N[C@H]1CNC1=O MCULE-9014449253 [0,0,0,0,1,0|0,0,0]=1 1261 B6R1.4 N[C@H]1COC1=O MCULE-4812631526 [0,0,0,0,1,0|0,0,0]=1 1262 B6R1.4 O=C1CCC1Br MCULE-1088592133 [0,0,0,0,1,0|2,0,0]=3 1263 B6R1.4 O=C1CCC1F MCULE-6197375881 [0,0,0,0,1,0|2,0,0]=3 1264 B6R1.4 O=C1CCC1O MCULE-1248327203 [0,0,0,0,1,0|2,0,0]=3 1265 B6R1.4 O=C1CC[C@@H]1Br MCULE-3455449754 [0,0,0,0,1,0|2,0,0]=3 1266 B6R1.4 [C@@H]1(COC1=O)N MCULE-7456320845 [0,0,0,0,1,0|0,0,0]=1 1267 B8R1.4 C1(CNCC(=O)N1)C MCULE-3246707428 [0,0,0,0,0,1|3,0,0]=4 1268 B8R1.4 CC1=CC(=O)NON1 MCULE-9289039883 [0,0,0,0,0,1|2,0,1]=4 1269 B8R1.4 CC1CC=CC(=O)O1 MCULE-3191839185 [0,0,0,0,0,1|3,0,0]=4 1270 B8R1.4 CC1CCCC(=O)C1 MCULE-6473963111 [0,0,0,0,0,1|3,0,0]=4 1271 B8R1.4 CC1CCCC(=O)C1 MCULE-9918051823 [0,0,0,0,0,1|3,0,0]=4 1272 B8R1.4 CC1CCCC(=O)N1 MCULE-3851963076 [0,0,0,0,0,1|3,0,0]=4 1273 B8R1.4 CC1CCCC(=O)O1 MCULE-4000069856 [0,0,0,0,0,1|3,0,0]=4 1274 B8R1.4 CC1CCNC(=N)C1 MCULE-2615774284 [0,0,0,0,0,1|3,0,0]=4 1275 B8R1.4 CC1CCNC(=N)C1 MCULE-9034088725 [0,0,0,0,0,1|3,0,0]=4 1276 B8R1.4 CC1CCNC(=O)C1 MCULE-8903018599 [0,0,0,0,0,1|2,0,0]=3 1277 B8R1.4 CC1CCNC(=O)N1 MCULE-6491047836 [0,0,0,0,0,1|2,0,0]=3 1278 B8R1.4 CC1CCOC(=O)C1 MCULE-2682865017 [0,0,0,0,0,1|3,0,0]=4 1279 B8R1.4 CC1CCOC(=O)O1 MCULE-5929311811 [0,0,0,0,0,1|3,0,0]=4 1280 B8R1.4 CC1CNCC(=O)N1 MCULE-5727167900 [0,0,0,0,0,1|3,0,0]=4 1281 B8R1.4 CC1CNCC(=O)N1 MCULE-9599432640 [0,0,0,0,0,1|3,0,0]=4 1282 B8R1.4 CC1COCC(=O)N1 MCULE-4768427051 [0,0,0,0,0,1|2,0,0]=3 1283 B8R1.4 CC1COCC(=O)N1 MCULE-5909800781 [0,0,0,0,0,1|2,0,0]=3 1284 B8R1.4 CN1CCNC(=O)C1 MCULE-5564854834 [0,0,0,0,0,1|3,0,0]=4 1285 B8R1.4 C[C@@H]1CCCC(=O)C1 MCULE-1868776628 [0,0,0,0,0,1|3,0,0]=4 1286 B8R1.4 C[C@@H]1CCCC(=O)C1 MCULE-6973928430 [0,0,0,0,0,1|3,0,0]=4 1287 B8R1.4 C[C@@H]1CCCC(=O)N1 MCULE-2050655386 [0,0,0,0,0,1|3,0,0]=4 1288 B8R1.4 C[C@@H]1CCCC(=O)N1 MCULE-7049359933 [0,0,0,0,0,1|3,0,0]=4 1289 B8R1.4 C[C@@H]1CCCC(=O)O1 MCULE-6306078053 [0,0,0,0,0,1|3,0,0]=4 1290 B8R1.4 C[C@@H]1CCCC(=O)O1 MCULE-7616070208 [0,0,0,0,0,1|3,0,0]=4 1291 B8R1.4 C[C@@H]1CNCC(=O)N1 MCULE-3378865379 [0,0,0,0,0,1|3,0,0]=4 1292 B8R1.4 C[C@@H]1CNCC(=O)N1 MCULE-5740698320 [0,0,0,0,0,1|3,0,0]=4 1293 B8R1.4 C[C@@H]1CNCC(=O)N1 MCULE-7692987274 [0,0,0,0,0,1|3,0,0]=4 1294 B8R1.4 C[C@@H]1CNCC(=O)N1 MCULE-8897582822 [0,0,0,0,0,1|3,0,0]=4 1295 B8R1.4 C[C@@H]1COCC(=O)N1 MCULE-1758598852 [0,0,0,0,0,1|2,0,0]=3 1296 B8R1.4 C[C@@H]1COCC(=O)N1 MCULE-2011395384 [0,0,0,0,0,1|2,0,0]=3 1297 B8R1.4 C[C@@H]1C[C@@H](CCN1)N MCULE-5240939973 [0,0,0,0,0,1|2,0,1]=4 1298 B8R1.4 C[C@@H]1C[C@@H](CCN1)N MCULE-7786078968 [0,0,0,0,0,1|2,0,1]=4 1299 B8R1.4 C[C@H]1CCCC(=O)C1 MCULE-4643975445 [0,0,0,0,0,1|3,0,0]=4 1300 B8R1.4 C[C@H]1CCCC(=O)C1 MCULE-6122391840 [0,0,0,0,0,1|3,0,0]=4 1301 B8R1.4 C[C@H]1CCNC(=O)C1 MCULE-7120988665 [0,0,0,0,0,1|2,0,0]=3 1302 B8R1.4 C[C@H]1CNCC(=O)N1 MCULE-3182538973 [0,0,0,0,0,1|3,0,0]=4 1303 B8R1.4 C[C@H]1CNCC(=O)N1 MCULE-3207104811 [0,0,0,0,0,1|3,0,0]=4 1304 B8R1.4 C[C@H]1CNCC(=O)N1 MCULE-5895954143 [0,0,0,0,0,1|3,0,0]=4 1305 B8R1.4 C[C@H]1CNCC(=O)N1 MCULE-6535652978 [0,0,0,0,0,1|3,0,0]=4 1306 B8R1.4 C[C@H]1COCC(=O)N1 MCULE-5693624195 [0,0,0,0,0,1|2,0,0]=3 1307 B8R1.4 C[C@H]1COCC(=O)N1 MCULE-8476323396 [0,0,0,0,0,1|2,0,0]=3 1308 B8R1.4 NC1=CC(=O)CCC1 MCULE-3362548403 [0,0,0,0,0,1|2,0,1]=4 1309 B8R1.4 NC1=CC(=O)COC1 MCULE-7765608843 [0,0,0,0,0,1|1,0,1]=3 1310 B8R1.4 NC1=CC(=O)NN=C1 MCULE-1959597477 [0,0,0,0,0,1|1,0,2]=4 1311 B8R1.4 NC1=NC(=O)NC=C1 MCULE-4426252594 [0,0,0,0,0,1|1,0,2]=4 1312 B8R1.4 NC1=NC(=O)NC=C1 MCULE-5444602171 [0,0,0,0,0,1|1,0,2]=4 1313 B8R1.4 NC1=NC(=O)NN=C1 MCULE-5047415100 [0,0,0,0,0,1|1,0,2]=4 1314 B8R1.4 NC1C=C(CCC1)F MCULE-7477602128 [0,0,0,0,0,1|3,0,0]=4 1315 B8R1.4 NC1CCCC(=O)C1 MCULE-3659606498 [0,0,0,0,0,1|2,0,0]=3 1316 B8R1.4 NC1CCCC(=O)C1 MCULE-8815445353 [0,0,0,0,0,1|2,0,0]=3 1317 B8R1.4 NC1CCNC(=O)C1 MCULE-2185303732 [0,0,0,0,0,1|1,0,0]=2 1318 B8R1.4 NC1CCNC(=O)C1 MCULE-4290135082 [0,0,0,0,0,1|1,0,0]=2 1319 B8R1.4 NC1CCNC(=O)C1 MCULE-6525283699 [0,0,0,0,0,1|1,0,0]=2 1320 B8R1.4 NC1CCNC(=O)C1 MCULE-8080194775 [0,0,0,0,0,1|1,0,0]=2 1321 B8R1.4 NC1COCC(=O)C1 MCULE-4958107203 [0,0,0,0,0,1|1,0,0]=2 1322 B8R1.4 NC1COCC(=O)C1 MCULE-9645630994 [0,0,0,0,0,1|1,0,0]=2 1323 B8R1.4 NC1COCC(C1)O MCULE-4181084305 [0,0,0,0,0,1|1,0,2]=4 1324 B8R1.4 NC1COCC(C1)O MCULE-5761305163 [0,0,0,0,0,1|1,0,2]=4 1325 B8R1.4 N[C@@H]1CCCC(=O)C1 MCULE-4006583256 [0,0,0,0,0,1|2,0,0]=3 1326 B8R1.4 N[C@@H]1CCNC(=O)C1 MCULE-8276559925 [0,0,0,0,0,1|1,0,0]=2 1327 B8R1.4 N[C@@H]1COCC(=O)C1 MCULE-3299834957 [0,0,0,0,0,1|1,0,0]=2 1328 B8R1.4 N[C@@H]1COCC(=O)C1 MCULE-6683156371 [0,0,0,0,0,1|1,0,0]=2 1329 B8R1.4 N[C@@H]1COC[C@@H](C1)O MCULE-2589345375 [0,0,0,0,0,1|1,0,2]=4 1330 B8R1.4 N[C@@H]1COC[C@@H](C1)O MCULE-5154891684 [0,0,0,0,0,1|1,0,2]=4 1331 B8R1.4 N[C@@H]1COC[C@H](C1)O MCULE-1888308248 [0,0,0,0,0,1|1,0,2]=4 1332 B8R1.4 N[C@@H]1COC[C@H](C1)O MCULE-4630509866 [0,0,0,0,0,1|1,0,2]=4 1333 B8R1.4 N[C@H]1CCCC(=O)C1 MCULE-9786035316 [0,0,0,0,0,1|2,0,0]=3 1334 B8R1.4 N[C@H]1CCNC(=O)C1 MCULE-1641151984 [0,0,0,0,0,1|1,0,0]=2 1335 B8R1.4 N[C@H]1CCNC(=O)C1 MCULE-2042394403 [0,0,0,0,0,1|1,0,0]=2 1336 B8R1.4 N[C@H]1CCNC(=O)C1 MCULE-6400271298 [0,0,0,0,0,1|1,0,0]=2 1337 B8R1.4 N[C@H]1COC[C@@H](C1)O MCULE-6168789714 [0,0,0,0,0,1|1,0,2]=4 1338 B8R1.4 N[C@H]1COC[C@H](C1)O MCULE-1887576189 [0,0,0,0,0,1|1,0,2]=4 1339 B8R1.4 N[C@H]1COC[C@H](C1)O MCULE-2203204142 [0,0,0,0,0,1|1,0,2]=4 1340 B8R1.4 O=C1C=C(CCN1)Br MCULE-5356952780 [0,0,0,0,0,1|2,0,1]=4 1341 B8R1.4 O=C1C=C(COC1)O MCULE-2385941614 [0,0,0,0,0,1|2,0,1]=4 1342 B8R1.4 O=C1CC(CCN1)F MCULE-3828280868 [0,0,0,0,0,1|2,0,0]=3 1343 B8R1.4 O=C1CC(CCN1)F MCULE-8150833328 [0,0,0,0,0,1|2,0,0]=3 1344 B8R1.4 O=C1CC(CCN1)O MCULE-5400068518 [0,0,0,0,0,1|2,0,0]=3 1345 B8R1.4 O=C1CC(CCN1)O MCULE-8702086069 [0,0,0,0,0,1|2,0,0]=3 1346 B8R1.4 O=C1CCCC(C1)O MCULE-3100717907 [0,0,0,0,0,1|3,0,0]=4 1347 B8R1.4 O=C1CCC[C@@H](C1)O MCULE-3841179351 [0,0,0,0,0,1|3,0,0]=4 1348 B8R1.4 O=C1CCNC(=O)C1 MCULE-7662080105 [0,0,0,0,0,1|2,0,1]=4 1349 B8R1.4 O=C1CCNC(=O)N1 MCULE-8986910982 [0,0,0,0,0,1|2,0,1]=4 1350 B8R1.4 O=C1CCNC(=O)O1 MCULE-8298722634 [0,0,0,0,0,1|2,0,1]=4 1351 B8R1.4 O=C1COCC(=O)C1 MCULE-1763175933 [0,0,0,0,0,1|2,0,1]=4 1352 B8R1.4 O=C1COCC(=O)N1 MCULE-2640203723 [0,0,0,0,0,1|2,0,1]=4 1353 B8R1.4 O=C1COCC(=O)O1 MCULE-7640970930 [0,0,0,0,0,1|2,0,1]=4 1354 B8R1.4 O=C1COCC(C1)O MCULE-6056926421 [0,0,0,0,0,1|2,0,0]=3 1355 B8R1.4 O=C1C[C@@H](CCN1)O MCULE-8279613188 [0,0,0,0,0,1|2,0,0]=3 1356 B8R1.4 O=C1C[C@@H](CCN1)O MCULE-9911849866 [0,0,0,0,0,1|2,0,0]=3 1357 B8R1.4 O=C1C[C@H](CCN1)O MCULE-3843806479 [0,0,0,0,0,1|2,0,0]=3 1358 B8R1.4 O=C1C[C@H](CCN1)O MCULE-9127195212 [0,0,0,0,0,1|2,0,0]=3 1359 B8R1.4 O=C1[CH-]C(=O)COC1 MCULE-6235987509 [0,0,0,0,0,1|2,0,1]=4 1360 B8R1.4 O=C1[CH-]C(=O)COC1 MCULE-9016019550 [0,0,0,0,0,1|2,0,1]=4 1361 B8R1.4 OC1C=C(COC1)Br MCULE-4969292541 [0,0,0,0,0,1|3,0,0]=4 1362 B8R1.4 [C@@H]1(CCCC(=O)N1)C MCULE-8906937588 [0,0,0,0,0,1|3,0,0]=4 1363 B8R1.5 C=C1CCCNC1=O MCULE-1867993758 [0,0,0,0,0,1|2,0,1]=4 1364 B8R1.5 C=C1COCCC1N MCULE-4966385224 [0,0,0,0,0,1|2,0,0]=3 1365 B8R1.5 CC1=C(CONC1)C MCULE-2881014560 [0,0,0,0,0,1|2,0,1]=4 1366 B8R1.5 CC1=C(CONC1)C MCULE-6835281443 [0,0,0,0,0,1|2,0,1]=4 1367 B8R1.5 CC1CCCCC1=O MCULE-6363555535 [0,0,0,0,0,1|3,0,0]=4 1368 B8R1.5 CC1CCCNC1=O MCULE-5295531632 [0,0,0,0,0,1|2,0,0]=3 1369 B8R1.5 CC1CCCOC1=O MCULE-5926029136 [0,0,0,0,0,1|3,0,0]=4 1370 B8R1.5 CC1CCNCC1=O MCULE-8618050685 [0,0,0,0,0,1|2,0,0]=3 1371 B8R1.5 CC1CCNCC1=O MCULE-9238977073 [0,0,0,0,0,1|2,0,0]=3 1372 B8R1.5 CC1CCOCC1=O MCULE-2481965177 [0,0,0,0,0,1|2,0,0]=3 1373 B8R1.5 CC1CNCCC1=O MCULE-6306655160 [0,0,0,0,0,1|3,0,0]=4 1374 B8R1.5 CC1CNCCC1=O MCULE-9018912988 [0,0,0,0,0,1|3,0,0]=4 1375 B8R1.5 CC1CNCCC1N MCULE-4288510851 [0,0,0,0,0,1|2,0,1]=4 1376 B8R1.5 CC1CNCCC1N MCULE-7264043917 [0,0,0,0,0,1|2,0,1]=4 1377 B8R1.5 CC1COCCC1=O MCULE-2694187526 [0,0,0,0,0,1|2,0,0]=3 1378 B8R1.5 CC1COCCC1N MCULE-6236890728 [0,0,0,0,0,1|2,0,1]=4 1379 B8R1.5 CC1COCCC1N MCULE-7497946239 [0,0,0,0,0,1|2,0,1]=4 1380 B8R1.5 CC1CSCCC1=O MCULE-4565033608 [0,0,0,0,0,1|2,1,0]=4 1381 B8R1.5 CC1NCCCC1=O MCULE-1303642695 [0,0,0,0,0,1|3,0,0]=4 1382 B8R1.5 CC1NCCCC1=O MCULE-6618358169 [0,0,0,0,0,1|3,0,0]=4 1383 B8R1.5 CC1NCCNC1=O MCULE-3078767867 [0,0,0,0,0,1|2,0,0]=3 1384 B8R1.5 CC1NCCNC1=O MCULE-9884862705 [0,0,0,0,0,1|2,0,0]=3 1385 B8R1.5 CC1OCCNC1=O MCULE-8812176499 [0,0,0,0,0,1|2,0,0]=3 1386 B8R1.5 CC1SCCCC1=O MCULE-7641066964 [0,0,0,0,0,1|3,0,0]=4 1387 B8R1.5 CC1SCCNC1=O MCULE-1825894745 [0,0,0,0,0,1|2,0,0]=3 1388 B8R1.5 CN1CCCNC1=O MCULE-3141639397 [0,0,0,0,0,1|3,0,0]=4 1389 B8R1.5 CN1CCNCC1=O MCULE-4783963074 [0,0,0,0,0,1|3,0,0]=4 1390 B8R1.5 CN1CCNCC1=O MCULE-7251084542 [0,0,0,0,0,1|3,0,0]=4 1391 B8R1.5 CN1CCNCC1=O MCULE-9201460493 [0,0,0,0,0,1|3,0,0]=4 1392 B8R1.5 CN1CCNCC1=O MCULE-9789420240 [0,0,0,0,0,1|3,0,0]=4 1393 B8R1.5 CN1CCOCC1=O MCULE-8864378597 [0,0,0,0,0,1|3,0,0]=4 1394 B8R1.5 C[C@@H]1CNCC[C@@H]1N MCULE-1733727000 [0,0,0,0,0,1|2,0,1]=4 1395 B8R1.5 C[C@@H]1CNCC[C@@H]1N MCULE-5971884774 [0,0,0,0,0,1|2,0,1]=4 1396 B8R1.5 C[C@@H]1CNCC[C@H]1N MCULE-4381780061 [0,0,0,0,0,1|2,0,1]=4 1397 B8R1.5 C[C@@H]1CNCC[C@H]1N MCULE-7332887720 [0,0,0,0,0,1|2,0,1]=4 1398 B8R1.5 C[C@@H]1COCC[C@@H]1N MCULE-1854737385 [0,0,0,0,0,1|2,0,1]=4 1399 B8R1.5 C[C@@H]1COCC[C@@H]1N MCULE-5272955365 [0,0,0,0,0,1|2,0,1]=4 1400 B8R1.5 C[C@@H]1COCC[C@H]1N MCULE-1385721208 [0,0,0,0,0,1|2,0,1]=4 1401 B8R1.5 C[C@@H]1COCC[C@H]1N MCULE-1584947952 [0,0,0,0,0,1|2,0,1]=4 1402 B8R1.5 C[C@@H]1COCC[C@H]1N MCULE-3448920251 [0,0,0,0,0,1|2,0,1]=4 1403 B8R1.5 C[C@@H]1COCC[C@H]1N MCULE-7256484712 [0,0,0,0,0,1|2,0,1]=4 1404 B8R1.5 C[C@@H]1NCCNC1=O MCULE-1719923601 [0,0,0,0,0,1|2,0,0]=3 1405 B8R1.5 C[C@@H]1NCCNC1=O MCULE-3211216058 [0,0,0,0,0,1|2,0,0]=3 1406 B8R1.5 C[C@@H]1NCCNC1=O MCULE-4268624973 [0,0,0,0,0,1|2,0,0]=3 1407 B8R1.5 C[C@H]1CNCCC1=O MCULE-8062269317 [0,0,0,0,0,1|3,0,0]=4 1408 B8R1.5 C[C@H]1CNCCC1=O MCULE-9510433313 [0,0,0,0,0,1|3,0,0]=4 1409 B8R1.5 C[C@H]1CNCC[C@@H]1N MCULE-1222815331 [0,0,0,0,0,1|2,0,1]=4 1410 B8R1.5 C[C@H]1CNCC[C@@H]1N MCULE-1657518091 [0,0,0,0,0,1|2,0,1]=4 1411 B8R1.5 C[C@H]1CNCC[C@H]1N MCULE-2604448103 [0,0,0,0,0,1|2,0,1]=4 1412 B8R1.5 C[C@H]1CNCC[C@H]1N MCULE-4549710847 [0,0,0,0,0,1|2,0,1]=4 1413 B8R1.5 C[C@H]1COCCC1=O MCULE-3103478095 [0,0,0,0,0,1|2,0,0]=3 1414 B8R1.5 C[C@H]1COCC[C@@H]1N MCULE-3420685614 [0,0,0,0,0,1|2,0,1]=4 1415 B8R1.5 C[C@H]1COCC[C@@H]1N MCULE-4495690357 [0,0,0,0,0,1|2,0,1]=4 1416 B8R1.5 C[C@H]1COCC[C@@H]1N MCULE-9724547988 [0,0,0,0,0,1|2,0,1]=4 1417 B8R1.5 C[C@H]1COCC[C@@H]1N MCULE-9889716251 [0,0,0,0,0,1|2,0,1]=4 1418 B8R1.5 C[C@H]1COCC[C@H]1N MCULE-3075216082 [0,0,0,0,0,1|2,0,1]=4 1419 B8R1.5 C[C@H]1COCC[C@H]1N MCULE-4276602047 [0,0,0,0,0,1|2,0,1]=4 1420 B8R1.5 C[C@H]1COCC[C@H]1N MCULE-6090606114 [0,0,0,0,0,1|2,0,1]=4 1421 B8R1.5 C[C@H]1COCC[C@H]1N MCULE-6610603811 [0,0,0,0,0,1|2,0,1]=4 1422 B8R1.5 C[C@H]1NCCNC1=O MCULE-1350777729 [0,0,0,0,0,1|2,0,0]=3 1423 B8R1.5 C[C@H]1NCCNC1=O MCULE-3433713206 [0,0,0,0,0,1|2,0,0]=3 1424 B8R1.5 C[C@H]1NCCNC1=O MCULE-6014092524 [0,0,0,0,0,1|2,0,0]=3 1425 B8R1.5 NC1=CC=CNC1=O MCULE-2705834056 [0,0,0,0,0,1|1,0,2]=4 1426 B8R1.5 NC1=CC=NNC1=O MCULE-8399809124 [0,0,0,0,0,1|1,0,2]=4 1427 B8R1.5 NC1=CN=CNC1=O MCULE-3512580009 [0,0,0,0,0,1|1,0,2]=4 1428 B8R1.5 NC1=NC=CNC1=O MCULE-6254794637 [0,0,0,0,0,1|1,0,2]=4 1429 B8R1.5 NC1C=NC=NC1=O MCULE-2219620744 [0,0,0,0,0,1|1,0,2]=4 1430 B8R1.5 NC1CCCCC1=O MCULE-2382898926 [0,0,0,0,0,1|2,0,0]=3 1431 B8R1.5 NC1CCCCC1=O MCULE-9230455128 [0,0,0,0,0,1|2,0,0]=3 1432 B8R1.5 NC1CCCNC1=O MCULE-2560564171 [0,0,0,0,0,1|1,0,0]=2 1433 B8R1.5 NC1CCCNC1=O MCULE-4494449620 [0,0,0,0,0,1|1,0,0]=2 1434 B8R1.5 NC1CCCNC1=O MCULE-7473475906 [0,0,0,0,0,1|1,0,0]=2 1435 B8R1.5 NC1CCCNC1=O MCULE-8288645102 [0,0,0,0,0,1|1,0,0]=2 1436 B8R1.5 NC1CCNCC1O MCULE-2705091841 [0,0,0,0,0,1|1,0,2]=4 1437 B8R1.5 NC1CCOCC1F MCULE-1016932578 [0,0,0,0,0,1|2,0,1]=4 1438 B8R1.5 NC1CCOCC1F MCULE-9622790392 [0,0,0,0,0,1|2,0,1]=4 1439 B8R1.5 NC1CCOCC1O MCULE-2815184899 [0,0,0,0,0,1|1,0,2]=4 1440 B8R1.5 NC1CCOCC1O MCULE-4548392204 [0,0,0,0,0,1|1,0,2]=4 1441 B8R1.5 NC1COCCC1=O MCULE-2621905094 [0,0,0,0,0,1|1,0,0]=2 1442 B8R1.5 NC1COCCC1=O MCULE-5417580672 [0,0,0,0,0,1|1,0,0]=2 1443 B8R1.5 NC1COCCC1F MCULE-1455837903 [0,0,0,0,0,1|2,0,1]=4 1444 B8R1.5 NC1COCCC1F MCULE-7145252320 [0,0,0,0,0,1|2,0,1]=4 1445 B8R1.5 NC1COCCC1O MCULE-6374385354 [0,0,0,0,0,1|1,0,2]=4 1446 B8R1.5 NC1COCCC1O MCULE-7944406292 [0,0,0,0,0,1|1,0,2]=4 1447 B8R1.5 NC1N=CC=NC1=O MCULE-9363193392 [0,0,0,0,0,1|1,0,2]=4 1448 B8R1.5 NN1CCCCC1=O MCULE-3663308028 [0,0,0,0,0,1|3,0,0]=4 1449 B8R1.5 NN1CCCCC1=O MCULE-9929233745 [0,0,0,0,0,1|3,0,0]=4 1450 B8R1.5 NN1CCCNC1=O MCULE-1690172508 [0,0,0,0,0,1|2,0,0]=3 1451 B8R1.5 NN1CCCOC1=O MCULE-6942418314 [0,0,0,0,0,1|3,0,0]=4 1452 B8R1.5 N[C@@H]1CCCNC1=O MCULE-2058435105 [0,0,0,0,0,1|1,0,0]=2 1453 B8R1.5 N[C@@H]1CCCNC1=O MCULE-2444659445 [0,0,0,0,0,1|1,0,0]=2 1454 B8R1.5 N[C@@H]1CCCNC1=O MCULE-3005560472 [0,0,0,0,0,1|1,0,0]=2 1455 B8R1.5 N[C@@H]1CCCNC1=O MCULE-6935410876 [0,0,0,0,0,1|1,0,0]=2 1456 B8R1.5 N[C@@H]1CCNC[C@H]1O MCULE-1435526553 [0,0,0,0,0,1|1,0,2]=4 1457 B8R1.5 N[C@@H]1CCNC[C@H]1O MCULE-8731873892 [0,0,0,0,0,1|1,0,2]=4 1458 B8R1.5 N[C@@H]1CCOC[C@@H]1F MCULE-1239747130 [0,0,0,0,0,1|2,0,1]=4 1459 B8R1.5 N[C@@H]1CCOC[C@@H]1F MCULE-2720196545 [0,0,0,0,0,1|2,0,1]=4 1460 B8R1.5 N[C@@H]1CCOC[C@@H]1F MCULE-4681308404 [0,0,0,0,0,1|2,0,1]=4 1461 B8R1.5 N[C@@H]1CCOC[C@@H]1F MCULE-5510784592 [0,0,0,0,0,1|2,0,1]=4 1462 B8R1.5 N[C@@H]1CCOC[C@@H]1F MCULE-6118396691 [0,0,0,0,0,1|2,0,1]=4 1463 B8R1.5 N[C@@H]1CCOC[C@@H]1F MCULE-9001277868 [0,0,0,0,0,1|2,0,1]=4 1464 B8R1.5 N[C@@H]1CCOC[C@@H]1O MCULE-1888816293 [0,0,0,0,0,1|1,0,2]=4 1465 B8R1.5 N[C@@H]1CCOC[C@@H]1O MCULE-3667258867 [0,0,0,0,0,1|1,0,2]=4 1466 B8R1.5 N[C@@H]1CCOC[C@@H]1O MCULE-3915823883 [0,0,0,0,0,1|1,0,2]=4 1467 B8R1.5 N[C@@H]1CCOC[C@@H]1O MCULE-9959521476 [0,0,0,0,0,1|1,0,2]=4 1468 B8R1.5 N[C@@H]1CCOC[C@H]1F MCULE-3556707940 [0,0,0,0,0,1|2,0,1]=4 1469 B8R1.5 N[C@@H]1CCOC[C@H]1F MCULE-4525092522 [0,0,0,0,0,1|2,0,1]=4 1470 B8R1.5 N[C@@H]1CCOC[C@H]1F MCULE-7086756183 [0,0,0,0,0,1|2,0,1]=4 1471 B8R1.5 N[C@@H]1CCOC[C@H]1F MCULE-8506007792 [0,0,0,0,0,1|2,0,1]=4 1472 B8R1.5 N[C@@H]1CCOC[C@H]1O MCULE-1071839837 [0,0,0,0,0,1|1,0,2]=4 1473 B8R1.5 N[C@@H]1CCOC[C@H]1O MCULE-6051401821 [0,0,0,0,0,1|1,0,2]=4 1474 B8R1.5 N[C@@H]1CCOC[C@H]1O MCULE-7013720281 [0,0,0,0,0,1|1,0,2]=4 1475 B8R1.5 N[C@@H]1CCOC[C@H]1O MCULE-8477518337 [0,0,0,0,0,1|1,0,2]=4 1476 B8R1.5 N[C@@H]1COCC[C@@H]1O MCULE-1031623201 [0,0,0,0,0,1|1,0,2]=4 1477 B8R1.5 N[C@@H]1COCC[C@@H]1O MCULE-2846030882 [0,0,0,0,0,1|1,0,2]=4 1478 B8R1.5 N[C@@H]1COCC[C@@H]1O MCULE-8863364874 [0,0,0,0,0,1|1,0,2]=4 1479 B8R1.5 N[C@@H]1COCC[C@@H]1O MCULE-9836639365 [0,0,0,0,0,1|1,0,2]=4 1480 B8R1.5 N[C@@H]1COCC[C@H]1F MCULE-2318671918 [0,0,0,0,0,1|2,0,1]=4 1481 B8R1.5 N[C@@H]1COCC[C@H]1F MCULE-3695420668 [0,0,0,0,0,1|2,0,1]=4 1482 B8R1.5 N[C@@H]1COCC[C@H]1F MCULE-6955873978 [0,0,0,0,0,1|2,0,1]=4 1483 B8R1.5 N[C@@H]1COCC[C@H]1F MCULE-8343413560 [0,0,0,0,0,1|2,0,1]=4 1484 B8R1.5 N[C@@H]1COCC[C@H]1O MCULE-4436769496 [0,0,0,0,0,1|1,0,2]=4 1485 B8R1.5 N[C@@H]1COCC[C@H]1O MCULE-6163244980 [0,0,0,0,0,1|1,0,2]=4 1486 B8R1.5 N[C@@H]1COCC[C@H]1O MCULE-8697534407 [0,0,0,0,0,1|1,0,2]=4 1487 B8R1.5 N[C@@H]1COCC[C@H]1O MCULE-9625047427 [0,0,0,0,0,1|1,0,2]=4 1488 B8R1.5 N[C@H]1CCCNC1=O MCULE-1247931890 [0,0,0,0,0,1|1,0,0]=2 1489 B8R1.5 N[C@H]1CCCNC1=O MCULE-2425510086 [0,0,0,0,0,1|1,0,0]=2 1490 B8R1.5 N[C@H]1CCCNC1=O MCULE-6121950966 [0,0,0,0,0,1|1,0,0]=2 1491 B8R1.5 N[C@H]1CCCNC1=O MCULE-7701042199 [0,0,0,0,0,1|1,0,0]=2 1492 B8R1.5 N[C@H]1CCOC[C@@H]1F MCULE-1493875164 [0,0,0,0,0,1|2,0,1]=4 1493 B8R1.5 N[C@H]1CCOC[C@@H]1F MCULE-2102376472 [0,0,0,0,0,1|2,0,1]=4 1494 B8R1.5 N[C@H]1CCOC[C@@H]1F MCULE-6109633704 [0,0,0,0,0,1|2,0,1]=4 1495 B8R1.5 N[C@H]1CCOC[C@@H]1F MCULE-7337274868 [0,0,0,0,0,1|2,0,1]=4 1496 B8R1.5 N[C@H]1CCOC[C@@H]1F MCULE-9740357152 [0,0,0,0,0,1|2,0,1]=4 1497 B8R1.5 N[C@H]1CCOC[C@@H]1F MCULE-9831607120 [0,0,0,0,0,1|2,0,1]=4 1498 B8R1.5 N[C@H]1CCOC[C@@H]1O MCULE-1217623714 [0,0,0,0,0,1|1,0,2]=4 1499 B8R1.5 N[C@H]1CCOC[C@@H]1O MCULE-4607259008 [0,0,0,0,0,1|1,0,2]=4 1500 B8R1.5 N[C@H]1CCOC[C@@H]1O MCULE-4749541215 [0,0,0,0,0,1|1,0,2]=4 1501 B8R1.5 N[C@H]1CCOC[C@@H]1O MCULE-9683658087 [0,0,0,0,0,1|1,0,2]=4 1502 B8R1.5 N[C@H]1CCOC[C@H]1F MCULE-1550590585 [0,0,0,0,0,1|2,0,1]=4 1503 B8R1.5 N[C@H]1CCOC[C@H]1F MCULE-4067592428 [0,0,0,0,0,1|2,0,1]=4 1504 B8R1.5 N[C@H]1CCOC[C@H]1F MCULE-4649837852 [0,0,0,0,0,1|2,0,1]=4 1505 B8R1.5 N[C@H]1CCOC[C@H]1F MCULE-6334068028 [0,0,0,0,0,1|2,0,1]=4 1506 B8R1.5 N[C@H]1CCOC[C@H]1O MCULE-1807586879 [0,0,0,0,0,1|1,0,2]=4 1507 B8R1.5 N[C@H]1CCOC[C@H]1O MCULE-1937023434 [0,0,0,0,0,1|1,0,2]=4 1508 B8R1.5 N[C@H]1CCOC[C@H]1O MCULE-4374635229 [0,0,0,0,0,1|1,0,2]=4 1509 B8R1.5 N[C@H]1CCOC[C@H]1O MCULE-4873019238 [0,0,0,0,0,1|1,0,2]=4 1510 B8R1.5 N[C@H]1COCC[C@@H]1O MCULE-1937054893 [0,0,0,0,0,1|1,0,2]=4 1511 B8R1.5 N[C@H]1COCC[C@@H]1O MCULE-4877924283 [0,0,0,0,0,1|1,0,2]=4 1512 B8R1.5 N[C@H]1COCC[C@@H]1O MCULE-6674323819 [0,0,0,0,0,1|1,0,2]=4 1513 B8R1.5 N[C@H]1COCC[C@H]1O MCULE-7305089306 [0,0,0,0,0,1|1,0,2]=4 1514 B8R1.5 N[C@H]1COCC[C@H]1O MCULE-8372108333 [0,0,0,0,0,1|1,0,2]=4 1515 B8R1.5 O=C1CCCCC1Br MCULE-9356057483 [0,0,0,0,0,1|3,0,0]=4 1516 B8R1.5 O=C1CCCCC1Cl MCULE-1580566298 [0,0,0,0,0,1|3,0,0]=4 1517 B8R1.5 O=C1CCCCC1F MCULE-6406930837 [0,0,0,0,0,1|3,0,0]=4 1518 B8R1.5 O=C1CCCCC1O MCULE-7509366699 [0,0,0,0,0,1|3,0,0]=4 1519 B8R1.5 O=C1CCCNC1=O MCULE-3369124759 [0,0,0,0,0,1|2,0,1]=4 1520 B8R1.5 O=C1CCNCC1Br MCULE-1607524353 [0,0,0,0,0,1|3,0,0]=4 1521 B8R1.5 O=C1CCNCC1Br MCULE-2623420651 [0,0,0,0,0,1|3,0,0]=4 1522 B8R1.5 O=C1CCNCC1Br MCULE-9921456309 [0,0,0,0,0,1|3,0,0]=4 1523 B8R1.5 O=C1CCNCC1F MCULE-4156323292 [0,0,0,0,0,1|3,0,0]=4 1524 B8R1.5 O=C1CCNCC1F MCULE-5488977269 [0,0,0,0,0,1|3,0,0]=4 1525 B8R1.5 O=C1CCNC[C@@H]1F MCULE-1703177711 [0,0,0,0,0,1|3,0,0]=4 1526 B8R1.5 O=C1CCNC[C@@H]1F MCULE-2722101377 [0,0,0,0,0,1|3,0,0]=4 1527 B8R1.5 O=C1CCNC[C@@H]1F MCULE-3843083136 [0,0,0,0,0,1|3,0,0]=4 1528 B8R1.5 O=C1CCNC[C@@H]1F MCULE-8423259867 [0,0,0,0,0,1|3,0,0]=4 1529 B8R1.5 O=C1CCNC[C@H]1F MCULE-4893691455 [0,0,0,0,0,1|3,0,0]=4 1530 B8R1.5 O=C1CCNC[C@H]1F MCULE-7014608979 [0,0,0,0,0,1|3,0,0]=4 1531 B8R1.5 O=C1CCOCC1Br MCULE-1103002154 [0,0,0,0,0,1|2,0,0]=3 1532 B8R1.5 O=C1CCOCC1Cl MCULE-6926183930 [0,0,0,0,0,1|2,0,0]=3 1533 B8R1.5 O=C1CCOCC1F MCULE-8590362767 [0,0,0,0,0,1|2,0,0]=3 1534 B8R1.5 O=C1CCOCC1O MCULE-7032874317 [0,0,0,0,0,1|2,0,0]=3 1535 B8R1.5 O=C1CCOC[C@@H]1Br MCULE-8729201111 [0,0,0,0,0,1|2,0,0]=3 1536 B8R1.5 O=C1CCOC[C@@H]1F MCULE-3075219245 [0,0,0,0,0,1|2,0,0]=3 1537 B8R1.5 O=C1NCCC=C1Br MCULE-7421402456 [0,0,0,0,0,1|2,0,1]=4 1538 B8R1.5 O=C1NCCC=C1Cl MCULE-9026882449 [0,0,0,0,0,1|2,0,1]=4 1539 B8R1.5 O=C1NCCCC1Br MCULE-1860833784 [0,0,0,0,0,1|2,0,0]=3 1540 B8R1.5 O=C1NCCCC1O MCULE-4922755542 [0,0,0,0,0,1|2,0,0]=3 1541 B8R1.5 O=C1NCCC[C@@H]1O MCULE-2813817931 [0,0,0,0,0,1|2,0,0]=3 1542 B8R1.5 O=C1NCCC[C@@H]1O MCULE-3354550946 [0,0,0,0,0,1|2,0,0]=3 1543 B8R1.5 O=C1NCCC[C@H]1O MCULE-2892218765 [0,0,0,0,0,1|2,0,0]=3 1544 B8R1.5 O=C1NCCC[C@H]1O MCULE-8394704933 [0,0,0,0,0,1|2,0,0]=3 1545 B8R1.5 O=C1NCCNC1=O MCULE-5492631108 [0,0,0,0,0,1|2,0,1]=4 1546 B8R1.5 O=C1NCCOC1=O MCULE-5092732656 [0,0,0,0,0,1|2,0,1]=4 1547 B8R1.5 O=C1OCCCC1Br MCULE-4407787541 [0,0,0,0,0,1|3,0,0]=4 1548 B8R1.5 O=C1OCCCC1O MCULE-3021418071 [0,0,0,0,0,1|3,0,0]=4 1549 B8R1.5 [C@@H]1(CCOC[C@@H]1O)N MCULE-2201413833 [0,0,0,0,0,1|1,0,2]=4 1550 B8R1.5 [C@@H]1(CCOC[C@H]1N)O MCULE-7745052941 [0,0,0,0,0,1|1,0,2]=4 1551 B8R1.5 [C@@H]1(COCC[C@@H]1O)N MCULE-2864950342 [0,0,0,0,0,1|1,0,2]=4 1552 B8R1.5 [C@H]1(CCOC[C@@H]1O)N MCULE-3291339796 [0,0,0,0,0,1|1,0,2]=4 1553 B8R1.5 [C@H]1(CCOC[C@@H]1O)N MCULE-5641035715 [0,0,0,0,0,1|1,0,2]=4 1554 B8R1.5 [C@H]1(COCC[C@H]1N)C MCULE-2786096186 [0,0,0,0,0,1|2,0,1]=4 1555 B8R1.5 [C@H]1(COCC[C@H]1N)C MCULE-3516272365 [0,0,0,0,0,1|2,0,1]=4 1556 B8R1.5 [C@H]1(COCC[C@H]1N)O MCULE-2088495989 [0,0,0,0,0,1|1,0,2]=4 1557 B8R1.5 [C@H]1(COCC[C@H]1O)N MCULE-5409068801 [0,0,0,0,0,1|1,0,2]=4 1558 B5R0.1 C(C)(N)CCO MCULE-5545469271 [1,0,1,0,0,0|1,0,1]=4 1559 B5R0.1 C/C=C/C(=O)C MCULE-2109656516 [1,0,1,0,0,0|2,0,0]=4 1560 B5R0.1 C/C=C/C(=O)N MCULE-2532228624 [1,0,1,0,0,0|2,0,0]=4 1561 B5R0.1 C=C(Br)CCO MCULE-3743908958 [1,0,1,0,0,0|2,0,0]=4 1562 B5R0.1 C=C(C)CCO MCULE-2689800711 [1,0,1,0,0,0|2,0,0]=4 1563 B5R0.1 C=C(C)CON MCULE-2773974323 [1,0,1,0,0,0|1,0,1]=4 1564 B5R0.1 C=C(C)CON MCULE-5978680243 [1,0,1,0,0,0|1,0,1]=4 1565 B5R0.1 C=CCC(=O)N MCULE-1205335257 [1,0,1,0,0,0|1,0,1]=4 1566 B5R0.1 C=CNC(=O)C MCULE-1260296806 [1,0,1,0,0,0|1,0,1]=4 1567 B5R0.1 C=CNC(=O)N MCULE-4235216182 [1,0,1,0,0,0|1,0,1]=4 1568 B5R0.1 C=NCC(=O)N MCULE-7609497329 [1,0,1,0,0,0|2,0,0]=4 1569 B5R0.1 CC#CC(=O)C MCULE-4083248904 [1,0,1,0,0,0|2,0,0]=4 1570 B5R0.1 CC(=O)CCBr MCULE-2615300206 [1,0,1,0,0,0|2,0,0]=4 1571 B5R0.1 CC(=O)CCCl MCULE-8019748964 [1,0,1,0,0,0|2,0,0]=4 1572 B5R0.1 CC(=O)CCN MCULE-7550348751 [1,0,1,0,0,0|2,0,0]=4 1573 B5R0.1 CC(=O)CCN MCULE-9519063810 [1,0,1,0,0,0|2,0,0]=4 1574 B5R0.1 CC(=O)CCO MCULE-6328537335 [1,0,1,0,0,0|1,0,0]=3 1575 B5R0.1 CC(=O)NC#N MCULE-8444599659 [1,0,1,0,0,0|2,0,0]=4 1576 B5R0.1 CC(=O)NCO MCULE-4563335540 [1,0,1,0,0,0|2,0,0]=4 1577 B5R0.1 CC(C)/C=N/O MCULE-3201457095 [1,0,1,0,0,0|1,0,1]=4 1578 B5R0.1 CC(C)C=NO MCULE-9842574696 [1,0,1,0,0,0|1,0,1]=4 1579 B5R0.1 CC(C)CON MCULE-3476786246 [1,0,1,0,0,0|1,0,1]=4 1580 B5R0.1 CC(C)CON MCULE-4450654727 [1,0,1,0,0,0|1,0,1]=4 1581 B5R0.1 CC(N)CCN MCULE-5308134596 [1,0,1,0,0,0|1,0,1]=4 1582 B5R0.1 CC(N)CCN MCULE-5880045507 [1,0,1,0,0,0|1,0,1]=4 1583 B5R0.1 CC(N)CCN MCULE-7827515430 [1,0,1,0,0,0|1,0,1]=4 1584 B5R0.1 CC(N)CCO MCULE-1771399942 [1,0,1,0,0,0|1,0,1]=4 1585 B5R0.1 CC(N)CCO MCULE-7239872808 [1,0,1,0,0,0|1,0,1]=4 1586 B5R0.1 CC(O)CON MCULE-1051091134 [1,0,1,0,0,0|1,0,1]=4 1587 B5R0.1 CC(O)CON MCULE-6722092589 [1,0,1,0,0,0|1,0,1]=4 1588 B5R0.1 CC=CC(=O)C MCULE-4826977340 [1,0,1,0,0,0|2,0,0]=4 1589 B5R0.1 CC=CC(=O)N MCULE-9693879476 [1,0,1,0,0,0|2,0,0]=4 1590 B5R0.1 CCCC(=N)N MCULE-5974105638 [1,0,1,0,0,0|2,0,0]=4 1591 B5R0.1 CCCC(=N)N MCULE-9230704591 [1,0,1,0,0,0|2,0,0]=4 1592 B5R0.1 CCCC(=O)C MCULE-7174095676 [1,0,1,0,0,0|2,0,0]=4 1593 B5R0.1 CCCC(=O)Cl MCULE-3288175193 [1,0,1,0,0,0|2,0,0]=4 1594 B5R0.1 CCCC(=O)N MCULE-2712067671 [1,0,1,0,0,0|1,0,0]=3 1595 B5R0.1 CCCC(=O)O MCULE-4116382006 [1,0,1,0,0,0|2,0,0]=4 1596 B5R0.1 CCCC(=O)[O-] MCULE-8706538802 [1,0,1,0,0,0|2,0,0]=4 1597 B5R0.1 CCCC(=O)[O-] MCULE-9764702574 [1,0,1,0,0,0|2,0,0]=4 1598 B5R0.1 CCCC(=S)N MCULE-3529335988 [1,0,1,0,0,0|1,1,0]=4 1599 B5R0.1 CCNC(=N)N MCULE-4729418155 [1,0,1,0,0,0|2,0,0]=4 1600 B5R0.1 CCNC(=N)N MCULE-5123343071 [1,0,1,0,0,0|2,0,0]=4 1601 B5R0.1 CCNC(=O)C MCULE-7543656350 [1,0,1,0,0,0|1,0,0]=3 1602 B5R0.1 CCNC(=O)Cl MCULE-5831262934 [1,0,1,0,0,0|2,0,0]=4 1603 B5R0.1 CCNC(=O)N MCULE-1913599861 [1,0,1,0,0,0|1,0,0]=3 1604 B5R0.1 CCNC(=S)N MCULE-3849517146 [1,0,1,0,0,0|1,1,0]=4 1605 B5R0.1 CCOC(=O)C MCULE-6628539781 [1,0,1,0,0,0|2,0,0]=4 1606 B5R0.1 CCOC(=O)N MCULE-1776877276 [1,0,1,0,0,0|2,0,0]=4 1607 B5R0.1 CCSC(=O)C MCULE-8015440229 [1,0,1,0,0,0|2,0,0]=4 1608 B5R0.1 CNCC(=O)C MCULE-3695443024 [1,0,1,0,0,0|2,0,0]=4 1609 B5R0.1 CNCC(=O)C MCULE-7402723072 [1,0,1,0,0,0|2,0,0]=4 1610 B5R0.1 CNCC(=O)N MCULE-2328887394 [1,0,1,0,0,0|2,0,0]=4 1611 B5R0.1 CNCC(=O)N MCULE-3031605853 [1,0,1,0,0,0|2,0,0]=4 1612 B5R0.1 CNCC(=O)N MCULE-7300977677 [1,0,1,0,0,0|2,0,0]=4 1613 B5R0.1 CNNC(=S)N MCULE-5838387497 [1,0,1,0,0,0|1,1,0]=4 1614 B5R0.1 CNOC(=O)C MCULE-1464426541 [1,0,1,0,0,0|2,0,0]=4 1615 B5R0.1 CNOC(=O)C MCULE-2976282666 [1,0,1,0,0,0|2,0,0]=4 1616 B5R0.1 COC=C(C)C MCULE-6348538911 [1,0,1,0,0,0|2,0,0]=4 1617 B5R0.1 COCC(=N)N MCULE-4711728356 [1,0,1,0,0,0|2,0,0]=4 1618 B5R0.1 COCC(=N)N MCULE-7163250467 [1,0,1,0,0,0|2,0,0]=4 1619 B5R0.1 COCC(=O)C MCULE-7262197587 [1,0,1,0,0,0|1,0,0]=3 1620 B5R0.1 COCC(=O)Cl MCULE-5449267495 [1,0,1,0,0,0|2,0,0]=4 1621 B5R0.1 COCC(=O)N MCULE-6674958132 [1,0,1,0,0,0|1,0,0]=3 1622 B5R0.1 COCC(=O)O MCULE-3945589151 [1,0,1,0,0,0|2,0,0]=4 1623 B5R0.1 COCC(=S)N MCULE-2046809269 [1,0,1,0,0,0|1,1,0]=4 1624 B5R0.1 COCC(C)N MCULE-1896873634 [1,0,1,0,0,0|1,0,1]=4 1625 B5R0.1 COCC(C)N MCULE-2549420211 [1,0,1,0,0,0|1,0,1]=4 1626 B5R0.1 COCC(C)N MCULE-3490410444 [1,0,1,0,0,0|1,0,1]=4 1627 B5R0.1 COCC(C)N MCULE-7089888882 [1,0,1,0,0,0|1,0,1]=4 1628 B5R0.1 COC[C@@H](C)N MCULE-1225912236 [1,0,1,0,0,0|1,0,1]=4 1629 B5R0.1 COC[C@@H](C)N MCULE-2754628271 [1,0,1,0,0,0|1,0,1]=4 1630 B5R0.1 COC[C@@H](C)N MCULE-4676764915 [1,0,1,0,0,0|1,0,1]=4 1631 B5R0.1 COC[C@@H](C)N MCULE-8891950737 [1,0,1,0,0,0|1,0,1]=4 1632 B5R0.1 COC[C@H](C)N MCULE-2465679418 [1,0,1,0,0,0|1,0,1]=4 1633 B5R0.1 COC[C@H](C)N MCULE-2998593539 [1,0,1,0,0,0|1,0,1]=4 1634 B5R0.1 COC[C@H](C)N MCULE-3161045661 [1,0,1,0,0,0|1,0,1]=4 1635 B5R0.1 COC[C@H](C)N MCULE-9550165578 [1,0,1,0,0,0|1,0,1]=4 1636 B5R0.1 CONC(=O)C MCULE-6601866630 [1,0,1,0,0,0|0,0,0]=2 1637 B5R0.1 CONC(=O)N MCULE-3063713861 [1,0,1,0,0,0|0,0,0]=2 1638 B5R0.1 CONC(=S)C MCULE-1876042939 [1,0,1,0,0,0|0,1,0]=3 1639 B5R0.1 CS(=O)CCO MCULE-8331553582 [1,0,1,0,0,0|2,0,0]=4 1640 B5R0.1 CSCC(=O)C MCULE-4131794172 [1,0,1,0,0,0|1,1,0]=4 1641 B5R0.1 CSCC(=O)N MCULE-4865579476 [1,0,1,0,0,0|1,1,0]=4 1642 B5R0.1 CSNC(=O)C MCULE-7350061514 [1,0,1,0,0,0|0,1,0]=3 1643 B5R0.1 C[C@@H](N)CCO MCULE-4224878672 [1,0,1,0,0,0|1,0,1]=4 1644 B5R0.1 C[C@@H](N)CCO MCULE-5727539473 [1,0,1,0,0,0|1,0,1]=4 1645 B5R0.1 C[C@@H](O)CON MCULE-3740397343 [1,0,1,0,0,0|1,0,1]=4 1646 B5R0.1 C[C@@H](O)CON MCULE-8274376872 [1,0,1,0,0,0|1,0,1]=4 1647 B5R0.1 C[C@H](N)CCO MCULE-1496375567 [1,0,1,0,0,0|1,0,1]=4 1648 B5R0.1 C[C@H](N)CCO MCULE-4744824708 [1,0,1,0,0,0|1,0,1]=4 1649 B5R0.1 C[C@H](N)CCO MCULE-7219173683 [1,0,1,0,0,0|1,0,1]=4 1650 B5R0.1 C[C@H](N)CCO MCULE-9164942837 [1,0,1,0,0,0|1,0,1]=4 1651 B5R0.1 C[C@H](O)CON MCULE-4216605221 [1,0,1,0,0,0|1,0,1]=4 1652 B5R0.1 C[C@H](O)CON MCULE-9863094719 [1,0,1,0,0,0|1,0,1]=4 1653 B5R0.1 C[S@@](=O)CCO MCULE-4485824334 [1,0,1,0,0,0|2,0,0]=4 1654 B5R0.1 N#CCC(=O)N MCULE-8538286230 [1,0,1,0,0,0|1,0,1]=4 1655 B5R0.1 N=C(N)CCCl MCULE-2314996365 [1,0,1,0,0,0|2,0,0]=4 1656 B5R0.1 N=C(N)CCCl MCULE-3129838313 [1,0,1,0,0,0|2,0,0]=4 1657 B5R0.1 N=C(N)CCO MCULE-4567824707 [1,0,1,0,0,0|1,0,0]=3 1658 B5R0.1 N=C(N)CCO MCULE-7139693715 [1,0,1,0,0,0|1,0,0]=3 1659 B5R0.1 NC(=O)C=NO MCULE-6447662753 [1,0,1,0,0,0|1,0,1]=4 1660 B5R0.1 NC(=O)CCBr MCULE-3930714776 [1,0,1,0,0,0|1,0,0]=3 1661 B5R0.1 NC(=O)CCCl MCULE-8300320959 [1,0,1,0,0,0|1,0,0]=3 1662 B5R0.1 NC(=O)CCO MCULE-4026170350 [1,0,1,0,0,0|0,0,0]=2 1663 B5R0.1 NC(=O)CCS MCULE-7451827717 [1,0,1,0,0,0|0,1,0]=3 1664 B5R0.1 NC(=O)NCO MCULE-7403641101 [1,0,1,0,0,0|1,0,0]=3 1665 B5R0.1 NC(=O)NN=O MCULE-2820469915 [1,0,1,0,0,0|2,0,0]=4 1666 B5R0.1 NCCC(=O)Cl MCULE-1298355499 [1,0,1,0,0,0|2,0,0]=4 1667 B5R0.1 NCCC(=O)N MCULE-2899414135 [1,0,1,0,0,0|1,0,0]=3 1668 B5R0.1 NCCC(=O)N MCULE-6993286668 [1,0,1,0,0,0|1,0,0]=3 1669 B5R0.1 NCCC(=O)O MCULE-1344289084 [1,0,1,0,0,0|2,0,0]=4 1670 B5R0.1 NCCC(=O)O MCULE-2298605337 [1,0,1,0,0,0|2,0,0]=4 1671 B5R0.1 NCCC(=O)O MCULE-9375577631 [1,0,1,0,0,0|2,0,0]=4 1672 B5R0.1 NCCC(=O)[O-] MCULE-2492250086 [1,0,1,0,0,0|2,0,0]=4 1673 B5R0.1 NNCC(=O)N MCULE-2794619708 [1,0,1,0,0,0|1,0,1]=4 1674 B5R0.1 NNCC(=O)N MCULE-6773156087 [1,0,1,0,0,0|1,0,1]=4 1675 B5R0.1 NOCC(=O)O MCULE-4566186819 [1,0,1,0,0,0|1,0,1]=4 1676 B5R0.1 NOCC(=O)O MCULE-4824237418 [1,0,1,0,0,0|1,0,1]=4 1677 B5R0.1 NOCC(=O)O MCULE-8132180423 [1,0,1,0,0,0|1,0,1]=4 1678 B5R0.1 NOCC(F)F MCULE-1860693804 [1,0,1,0,0,0|2,0,0]=4 1679 B5R0.1 NOCC(F)F MCULE-2698080780 [1,0,1,0,0,0|2,0,0]=4 1680 B5R0.1 O=C(Cl)CCBr MCULE-4659506608 [1,0,1,0,0,0|2,0,0]=4 1681 B5R0.1 O=C(Cl)CCCl MCULE-3313924878 [1,0,1,0,0,0|2,0,0]=4 1682 B5R0.1 O=C(Cl)CCF MCULE-3316397790 [1,0,1,0,0,0|2,0,0]=4 1683 B5R0.1 O=C(O)CCBr MCULE-2816055853 [1,0,1,0,0,0|2,0,0]=4 1684 B5R0.1 O=C(O)CCCl MCULE-8511144183 [1,0,1,0,0,0|2,0,0]=4 1685 B5R0.1 O=C(O)CCF MCULE-4382025684 [1,0,1,0,0,0|2,0,0]=4 1686 B5R0.1 O=C(O)CCI MCULE-3371354708 [1,0,1,0,0,0|2,0,0]=4 1687 B5R0.1 O=C(O)CCO MCULE-3428604829 [1,0,1,0,0,0|1,0,0]=3 1688 B5R0.1 O=C(O)CCS MCULE-3211932163 [1,0,1,0,0,0|1,1,0]=4 1689 B5R0.1 O=C(O)CNO MCULE-4437067339 [1,0,1,0,0,0|2,0,0]=4 1690 B5R0.1 O=C([O-])CCO MCULE-4429611588 [1,0,1,0,0,0|1,0,0]=3 1691 B5R0.1 O=N(=O)CCO MCULE-2060841405 [1,0,1,0,0,0|2,0,0]=4 1692 B5R0.2 C#CCCC=O MCULE-9994552907 [1,0,1,0,0,0|2,0,0]=4 1693 B5R0.2 C/C=C/OCC MCULE-2891896400 [1,0,1,0,0,0|2,0,0]=4 1694 B5R0.2 C=C=CCCN MCULE-5814175873 [1,0,1,0,0,0|2,0,0]=4 1695 B5R0.2 C=C=CCCN MCULE-8177198091 [1,0,1,0,0,0|2,0,0]=4 1696 B5R0.2 C=CCCC=O MCULE-7850336174 [1,0,1,0,0,0|2,0,0]=4 1697 B5R0.2 C=CCCCN MCULE-5787926547 [1,0,1,0,0,0|2,0,0]=4 1698 B5R0.2 C=CCCCN MCULE-7346989227 [1,0,1,0,0,0|2,0,0]=4 1699 B5R0.2 C=CCCOC MCULE-4681354270 [1,0,1,0,0,0|2,0,0]=4 1700 B5R0.2 C=CCCON MCULE-3476228435 [1,0,1,0,0,0|1,0,0]=3 1701 B5R0.2 C=CCCON MCULE-9206052895 [1,0,1,0,0,0|1,0,0]=3 1702 B5R0.2 C=CCNC=O MCULE-1911798514 [1,0,1,0,0,0|1,0,1]=4 1703 B5R0.2 C=CCOC=O MCULE-4161785970 [1,0,1,0,0,0|1,0,1]=4 1704 B5R0.2 C=CCOCC MCULE-4363356618 [1,0,1,0,0,0|2,0,0]=4 1705 B5R0.2 C=COCCC MCULE-4423853666 [1,0,1,0,0,0|2,0,0]=4 1706 B5R0.2 C=COCCCl MCULE-7782311030 [1,0,1,0,0,0|2,0,0]=4 1707 B5R0.2 C=COCCN MCULE-8052872924 [1,0,1,0,0,0|1,0,0]=3 1708 B5R0.2 C=COCCN MCULE-8496820259 [1,0,1,0,0,0|1,0,0]=3 1709 B5R0.2 C=COCCO MCULE-9383372818 [1,0,1,0,0,0|2,0,0]=4 1710 B5R0.2 CC/C=C/C=O MCULE-5102906061 [1,0,1,0,0,0|2,0,0]=4 1711 B5R0.2 CC=CCCN MCULE-5129102475 [1,0,1,0,0,0|2,0,0]=4 1712 B5R0.2 CC=CCCN MCULE-8500001929 [1,0,1,0,0,0|2,0,0]=4 1713 B5R0.2 CC=COCC MCULE-1473170404 [1,0,1,0,0,0|2,0,0]=4 1714 B5R0.2 CCC#CC=O MCULE-3889262436 [1,0,1,0,0,0|2,0,0]=4 1715 B5R0.2 CCC=CC=O MCULE-1318250395 [1,0,1,0,0,0|2,0,0]=4 1716 B5R0.2 CCCCC=O MCULE-4736782822 [1,0,1,0,0,0|2,0,0]=4 1717 B5R0.2 CCCCON MCULE-7582349983 [1,0,1,0,0,0|1,0,1]=4 1718 B5R0.2 CCCCON MCULE-8175627798 [1,0,1,0,0,0|1,0,1]=4 1719 B5R0.2 CCCNC=O MCULE-6344556391 [1,0,1,0,0,0|1,0,0]=3 1720 B5R0.2 CCCOC=O MCULE-3133604529 [1,0,1,0,0,0|1,0,0]=3 1721 B5R0.2 CCNCCN MCULE-7854769899 [1,0,1,0,0,0|1,0,1]=4 1722 B5R0.2 CCO/C=C\Br MCULE-7396084973 [1,0,1,0,0,0|2,0,0]=4 1723 B5R0.2 CCOC=CBr MCULE-5241125671 [1,0,1,0,0,0|2,0,0]=4 1724 B5R0.2 CCOCCN MCULE-1254431240 [1,0,1,0,0,0|1,0,1]=4 1725 B5R0.2 CCOCCN MCULE-4039110889 [1,0,1,0,0,0|1,0,1]=4 1726 B5R0.2 CCOCCN MCULE-4400456933 [1,0,1,0,0,0|1,0,1]=4 1727 B5R0.2 CCSCC=O MCULE-8069035019 [1,0,1,0,0,0|1,1,0]=4 1728 B5R0.2 CNCCCN MCULE-1736081896 [1,0,1,0,0,0|1,0,1]=4 1729 B5R0.2 CNOCCN MCULE-3163962093 [1,0,1,0,0,0|0,0,1]=3 1730 B5R0.2 CNOCCN MCULE-7379538500 [1,0,1,0,0,0|0,0,1]=3 1731 B5R0.2 COCCC=O MCULE-2812117208 [1,0,1,0,0,0|1,0,0]=3 1732 B5R0.2 COCCCN MCULE-1421362990 [1,0,1,0,0,0|1,0,1]=4 1733 B5R0.2 COCCCN MCULE-4783132205 [1,0,1,0,0,0|1,0,1]=4 1734 B5R0.2 COCCON MCULE-3507489398 [1,0,1,0,0,0|2,0,0]=4 1735 B5R0.2 COCCON MCULE-8506879697 [1,0,1,0,0,0|2,0,0]=4 1736 B5R0.2 CONCCN MCULE-3332727097 [1,0,1,0,0,0|0,0,1]=3 1737 B5R0.2 CONCCN MCULE-5066538639 [1,0,1,0,0,0|0,0,1]=3 1738 B5R0.2 CONCCO MCULE-9787830121 [1,0,1,0,0,0|1,0,1]=4 1739 B5R0.2 CSCCC=O MCULE-6273241704 [1,0,1,0,0,0|1,1,0]=4 1740 B5R0.2 CSCCON MCULE-9125601960 [1,0,1,0,0,0|2,0,0]=4 1741 B5R0.2 N#CCCC=O MCULE-9521735106 [1,0,1,0,0,0|1,0,1]=4 1742 B5R0.2 N#CCCON MCULE-4242787851 [1,0,1,0,0,0|1,0,1]=4 1743 B5R0.2 N#CCCON MCULE-9943219810 [1,0,1,0,0,0|1,0,1]=4 1744 B5R0.2 N#CCOC=O MCULE-4453241991 [1,0,1,0,0,0|0,0,2]=4 1745 B5R0.2 NCCCNN MCULE-7657257572 [1,0,1,0,0,0|2,0,0]=4 1746 B5R0.2 NCCCON MCULE-1071170242 [1,0,1,0,0,0|1,0,1]=4 1747 B5R0.2 NCCCON MCULE-7767315563 [1,0,1,0,0,0|1,0,1]=4 1748 B5R0.2 NOC/C=C/Cl MCULE-3781481075 [1,0,1,0,0,0|1,0,1]=4 1749 B5R0.2 NOC/C=C/Cl MCULE-8874475488 [1,0,1,0,0,0|1,0,1]=4 1750 B5R0.2 NOCC=CCl MCULE-5233830243 [1,0,1,0,0,0|1,0,1]=4 1751 B5R0.2 NOCC=CCl MCULE-7677577759 [1,0,1,0,0,0|1,0,1]=4 1752 B5R0.2 NOCCCO MCULE-1072312935 [1,0,1,0,0,0|0,0,2]=4 1753 B5R0.2 NOCCCO MCULE-3715520109 [1,0,1,0,0,0|0,0,2]=4 1754 B5R0.2 NOCCCS MCULE-2063976508 [1,0,1,0,0,0|0,1,1]=4 1755 B5R0.2 NOCCCS MCULE-3464018652 [1,0,1,0,0,0|0,1,1]=4 1756 B5R0.2 NOCCON MCULE-2027662613 [1,0,1,0,0,0|2,0,0]=4 1757 B5R0.2 NOCCON MCULE-3458073239 [1,0,1,0,0,0|2,0,0]=4 1758 B5R0.2 O=CCCC=O MCULE-3362810468 [1,0,1,0,0,0|2,0,0]=4 1759 B5R0.2 O=CCCC=O MCULE-3813951568 [1,0,1,0,0,0|2,0,0]=4 1760 B5R0.2 O=CCCCBr MCULE-7239613396 [1,0,1,0,0,0|2,0,0]=4 1761 B5R0.2 O=CCCCCl MCULE-3011225716 [1,0,1,0,0,0|2,0,0]=4 1762 B5R0.2 O=CCCCI MCULE-3153720790 [1,0,1,0,0,0|2,0,0]=4 1763 B5R0.2 O=CCCCO MCULE-8728420992 [1,0,1,0,0,0|2,0,0]=4 1764 B5R0.2 O=CNCCO MCULE-3688614090 [1,0,1,0,0,0|1,0,0]=3 1765 B5R0.2 O=COCCO MCULE-1922672843 [1,0,1,0,0,0|1,0,0]=3 1766 B5R0.3 C#CC(=O)CC MCULE-1563732373 [1,0,1,0,0,0|2,0,0]=4 1767 B5R0.3 C#CC(=O)NC MCULE-8852565705 [1,0,1,0,0,0|1,0,1]=4 1768 B5R0.3 C#CC(=O)OC MCULE-5108326717 [1,0,1,0,0,0|1,0,1]=4 1769 B5R0.3 C#CC(N)CO MCULE-2442851523 [1,0,1,0,0,0|1,0,1]=4 1770 B5R0.3 C#CC(N)CO MCULE-3866086926 [1,0,1,0,0,0|1,0,1]=4 1771 B5R0.3 C#C[C@H](N)CO MCULE-2312982984 [1,0,1,0,0,0|1,0,1]=4 1772 B5R0.3 C#C[C@H](N)CO MCULE-8124038281 [1,0,1,0,0,0|1,0,1]=4 1773 B5R0.3 C#C[C@H](N)CO MCULE-8753140181 [1,0,1,0,0,0|1,0,1]=4 1774 B5R0.3 C#C[C@H](N)CO MCULE-9874393436 [1,0,1,0,0,0|1,0,1]=4 1775 B5R0.3 C=C(CC)CN MCULE-2269385026 [1,0,1,0,0,0|2,0,0]=4 1776 B5R0.3 C=C(CC)CN MCULE-3033447984 [1,0,1,0,0,0|2,0,0]=4 1777 B5R0.3 C=C(CC)CO MCULE-8127766352 [1,0,1,0,0,0|2,0,0]=4 1778 B5R0.3 C=CC(=O)CC MCULE-7277696617 [1,0,1,0,0,0|2,0,0]=4 1779 B5R0.3 C=CC(=O)NC MCULE-5619481947 [1,0,1,0,0,0|1,0,1]=4 1780 B5R0.3 C=CC(=O)NO MCULE-9528737042 [1,0,1,0,0,0|0,0,2]=4 1781 B5R0.3 C=CC(=O)OC MCULE-6010665978 [1,0,1,0,0,0|1,0,1]=4 1782 B5R0.3 C=CC(C)ON MCULE-2385478473 [1,0,1,0,0,0|2,0,0]=4 1783 B5R0.3 C=CC(C)ON MCULE-3428023923 [1,0,1,0,0,0|2,0,0]=4 1784 B5R0.3 C=CC(N)CC MCULE-6270835453 [1,0,1,0,0,0|2,0,0]=4 1785 B5R0.3 C=CC(N)CC MCULE-7920121163 [1,0,1,0,0,0|2,0,0]=4 1786 B5R0.3 C=CC(N)CO MCULE-2457433196 [1,0,1,0,0,0|1,0,0]=3 1787 B5R0.3 C=CC(N)CO MCULE-6697949182 [1,0,1,0,0,0|1,0,0]=3 1788 B5R0.3 C=CC(N)CO MCULE-7137123222 [1,0,1,0,0,0|1,0,0]=3 1789 B5R0.3 C=CC(N)CO MCULE-8388687355 [1,0,1,0,0,0|1,0,0]=3 1790 B5R0.3 C=CC(O)CN MCULE-3472823475 [1,0,1,0,0,0|2,0,0]=4 1791 B5R0.3 C=CC(O)CO MCULE-6172654550 [1,0,1,0,0,0|2,0,0]=4 1792 B5R0.3 C=C[C@@H](N)CO MCULE-1000343618 [1,0,1,0,0,0|1,0,0]=3 1793 B5R0.3 C=C[C@@H](N)CO MCULE-1074988940 [1,0,1,0,0,0|1,0,0]=3 1794 B5R0.3 C=C[C@@H](N)CO MCULE-3685491078 [1,0,1,0,0,0|1,0,0]=3 1795 B5R0.3 C=C[C@@H](N)CO MCULE-4969611575 [1,0,1,0,0,0|1,0,0]=3 1796 B5R0.3 C=C[C@@H](O)CO MCULE-5957455616 [1,0,1,0,0,0|2,0,0]=4 1797 B5R0.3 C=C[C@H](N)CO MCULE-2834725512 [1,0,1,0,0,0|1,0,0]=3 1798 B5R0.3 C=C[C@H](N)CO MCULE-3281738311 [1,0,1,0,0,0|1,0,0]=3 1799 B5R0.3 C=C[C@H](N)CO MCULE-3551585090 [1,0,1,0,0,0|1,0,0]=3 1800 B5R0.3 C=C[C@H](N)CO MCULE-9055556349 [1,0,1,0,0,0|1,0,0]=3 1801 B5R0.3 C=C[C@H](O)CO MCULE-6068203844 [1,0,1,0,0,0|2,0,0]=4 1802 B5R0.3 C=C[C@H](O)CO MCULE-9367072182 [1,0,1,0,0,0|2,0,0]=4 1803 B5R0.3 CC(CN)CO MCULE-5880795484 [1,0,1,0,0,0|1,0,1]=4 1804 B5R0.3 CC(CN)CO MCULE-8083007887 [1,0,1,0,0,0|1,0,1]=4 1805 B5R0.3 CC(CO)NN MCULE-3362748538 [1,0,1,0,0,0|2,0,0]=4 1806 B5R0.3 CC(CO)NN MCULE-4440318216 [1,0,1,0,0,0|2,0,0]=4 1807 B5R0.3 CC/C(=N/O)/C MCULE-9139048973 [1,0,1,0,0,0|1,0,1]=4 1808 B5R0.3 CC/C(=N/O)/N MCULE-2794748611 [1,0,1,0,0,0|1,0,1]=4 1809 B5R0.3 CC/C(=N/O)/N MCULE-7162577220 [1,0,1,0,0,0|1,0,1]=4 1810 B5R0.3 CCC(=N)OC MCULE-4123543795 [1,0,1,0,0,0|2,0,0]=4 1811 B5R0.3 CCC(=N)OC MCULE-5346320805 [1,0,1,0,0,0|2,0,0]=4 1812 B5R0.3 CCC(=NO)C MCULE-1859652505 [1,0,1,0,0,0|1,0,1]=4 1813 B5R0.3 CCC(=O)CBr MCULE-7825573294 [1,0,1,0,0,0|2,0,0]=4 1814 B5R0.3 CCC(=O)CC MCULE-8236549739 [1,0,1,0,0,0|2,0,0]=4 1815 B5R0.3 CCC(=O)CCl MCULE-9019890380 [1,0,1,0,0,0|2,0,0]=4 1816 B5R0.3 CCC(=O)CN MCULE-1863418812 [1,0,1,0,0,0|1,0,0]=3 1817 B5R0.3 CCC(=O)CN MCULE-5831164340 [1,0,1,0,0,0|1,0,0]=3 1818 B5R0.3 CCC(=O)CO MCULE-8674894820 [1,0,1,0,0,0|1,0,0]=3 1819 B5R0.3 CCC(=O)NC MCULE-5612060170 [1,0,1,0,0,0|1,0,0]=3 1820 B5R0.3 CCC(=O)NN MCULE-1803705917 [1,0,1,0,0,0|1,0,0]=3 1821 B5R0.3 CCC(=O)NO MCULE-1033164448 [1,0,1,0,0,0|0,0,0]=2 1822 B5R0.3 CCC(=O)OC MCULE-7384824725 [1,0,1,0,0,0|1,0,0]=3 1823 B5R0.3 CCC(=O)SC MCULE-9712192191 [1,0,1,0,0,0|1,1,0]=4 1824 B5R0.3 CCC(Br)C=O MCULE-3064952987 [1,0,1,0,0,0|2,0,0]=4 1825 B5R0.3 CCC(C)C=O MCULE-2523669899 [1,0,1,0,0,0|2,0,0]=4 1826 B5R0.3 CCC(C)NO MCULE-1247092627 [1,0,1,0,0,0|1,0,1]=4 1827 B5R0.3 CCC(C)NO MCULE-6169819668 [1,0,1,0,0,0|1,0,1]=4 1828 B5R0.3 CCC(Cl)C=O MCULE-5238776091 [1,0,1,0,0,0|2,0,0]=4 1829 B5R0.3 CCC(N)CN MCULE-6911484065 [1,0,1,0,0,0|1,0,1]=4 1830 B5R0.3 CCC(N)CN MCULE-8376506697 [1,0,1,0,0,0|1,0,1]=4 1831 B5R0.3 CCC(N)CO MCULE-1135809021 [1,0,1,0,0,0|1,0,1]=4 1832 B5R0.3 CCC(N)CO MCULE-7588854111 [1,0,1,0,0,0|1,0,1]=4 1833 B5R0.3 CC[C@@H](N)CO MCULE-3821348404 [1,0,1,0,0,0|1,0,1]=4 1834 B5R0.3 CC[C@@H](N)CO MCULE-7190248306 [1,0,1,0,0,0|1,0,1]=4 1835 B5R0.3 CC[C@H](N)CO MCULE-5500083870 [1,0,1,0,0,0|1,0,1]=4 1836 B5R0.3 CC[C@H](N)CO MCULE-6312512384 [1,0,1,0,0,0|1,0,1]=4 1837 B5R0.3 CNC(=N)CO MCULE-3239749882 [1,0,1,0,0,0|2,0,0]=4 1838 B5R0.3 CNC(=N)NN MCULE-4836793349 [1,0,1,0,0,0|2,0,0]=4 1839 B5R0.3 CNC(=N)NN MCULE-5998297944 [1,0,1,0,0,0|2,0,0]=4 1840 B5R0.3 CNC(=O)CBr MCULE-1439209307 [1,0,1,0,0,0|1,0,0]=3 1841 B5R0.3 CNC(=O)CCl MCULE-1437904095 [1,0,1,0,0,0|1,0,0]=3 1842 B5R0.3 CNC(=O)CI MCULE-1687694185 [1,0,1,0,0,0|1,0,0]=3 1843 B5R0.3 CNC(=O)CN MCULE-1901033297 [1,0,1,0,0,0|0,0,0]=2 1844 B5R0.3 CNC(=O)CN MCULE-8532774234 [1,0,1,0,0,0|0,0,0]=2 1845 B5R0.3 CNC(=O)CO MCULE-5899226107 [1,0,1,0,0,0|1,0,0]=3 1846 B5R0.3 CNC(=O)CS MCULE-7032391129 [1,0,1,0,0,0|1,0,0]=3 1847 B5R0.3 CNC(=O)NC MCULE-5319497155 [1,0,1,0,0,0|2,0,0]=4 1848 B5R0.3 CNC(=O)NN MCULE-2093843774 [1,0,1,0,0,0|1,0,0]=3 1849 B5R0.3 CNC(=O)OC MCULE-1162861376 [1,0,1,0,0,0|2,0,0]=4 1850 B5R0.3 CNC(=S)NN MCULE-3762018607 [1,0,1,0,0,0|1,1,0]=4 1851 B5R0.3 CNC(C)CN MCULE-1599162912 [1,0,1,0,0,0|1,0,1]=4 1852 B5R0.3 CNC(C)CN MCULE-1637391260 [1,0,1,0,0,0|1,0,1]=4 1853 B5R0.3 COC(=N)CCl MCULE-2713131753 [1,0,1,0,0,0|2,0,0]=4 1854 B5R0.3 COC(=N)CCl MCULE-6471252676 [1,0,1,0,0,0|2,0,0]=4 1855 B5R0.3 COC(=O)C#N MCULE-8762838190 [1,0,1,0,0,0|0,0,2]=4 1856 B5R0.3 COC(=O)C=O MCULE-2685327079 [1,0,1,0,0,0|1,0,1]=4 1857 B5R0.3 COC(=O)CBr MCULE-2684954408 [1,0,1,0,0,0|1,0,0]=3 1858 B5R0.3 COC(=O)CCl MCULE-5886832940 [1,0,1,0,0,0|1,0,0]=3 1859 B5R0.3 COC(=O)CF MCULE-4367430175 [1,0,1,0,0,0|1,0,0]=3 1860 B5R0.3 COC(=O)CI MCULE-9545584156 [1,0,1,0,0,0|1,0,0]=3 1861 B5R0.3 COC(=O)CN MCULE-7462799100 [1,0,1,0,0,0|0,0,0]=2 1862 B5R0.3 COC(=O)CN MCULE-8887061469 [1,0,1,0,0,0|0,0,0]=2 1863 B5R0.3 COC(=O)CO MCULE-8734582763 [1,0,1,0,0,0|1,0,0]=3 1864 B5R0.3 COC(=O)CS MCULE-3020830180 [1,0,1,0,0,0|1,0,0]=3 1865 B5R0.3 COC(=O)NN MCULE-2637794839 [1,0,1,0,0,0|1,0,0]=3 1866 B5R0.3 COC(=O)OC MCULE-7488725621 [1,0,1,0,0,0|2,0,0]=4 1867 B5R0.3 COC(=O)SCl MCULE-1018411491 [1,0,1,0,0,0|2,0,0]=4 1868 B5R0.3 COC(=S)NN MCULE-8717505617 [1,0,1,0,0,0|1,1,0]=4 1869 B5R0.3 COC(C)CN MCULE-1378513525 [1,0,1,0,0,0|1,0,1]=4 1870 B5R0.3 COC(C)CN MCULE-6114730248 [1,0,1,0,0,0|1,0,1]=4 1871 B5R0.3 COC(C)CN MCULE-7516064224 [1,0,1,0,0,0|1,0,1]=4 1872 B5R0.3 COC(C)CN MCULE-8277408054 [1,0,1,0,0,0|1,0,1]=4 1873 B5R0.3 CO[C@@H](C)CN MCULE-1448950160 [1,0,1,0,0,0|1,0,1]=4 1874 B5R0.3 CO[C@@H](C)CN MCULE-3784073249 [1,0,1,0,0,0|1,0,1]=4 1875 B5R0.3 CO[C@@H](C)CN MCULE-6073633931 [1,0,1,0,0,0|1,0,1]=4 1876 B5R0.3 CO[C@@H](C)CN MCULE-9516756218 [1,0,1,0,0,0|1,0,1]=4 1877 B5R0.3 CO[C@H](C)CN MCULE-4143562009 [1,0,1,0,0,0|1,0,1]=4 1878 B5R0.3 CO[C@H](C)CN MCULE-4184510827 [1,0,1,0,0,0|1,0,1]=4 1879 B5R0.3 CO[C@H](C)CN MCULE-9625722424 [1,0,1,0,0,0|1,0,1]=4 1880 B5R0.3 CO[C@H](C)CN MCULE-9882567615 [1,0,1,0,0,0|1,0,1]=4 1881 B5R0.3 C[C@@H](CN)CO MCULE-4662215148 [1,0,1,0,0,0|1,0,1]=4 1882 B5R0.3 C[C@@H](CN)CO MCULE-7870198689 [1,0,1,0,0,0|1,0,1]=4 1883 B5R0.3 N#CC(N)CO MCULE-5918855868 [1,0,1,0,0,0|0,0,2]=4 1884 B5R0.3 N#CC(N)CO MCULE-8439000158 [1,0,1,0,0,0|0,0,2]=4 1885 B5R0.3 N=C(NN)NO MCULE-6419110297 [1,0,1,0,0,0|2,0,0]=4 1886 B5R0.3 NC(CO)CF MCULE-3756808200 [1,0,1,0,0,0|1,0,1]=4 1887 B5R0.3 NC(CO)CF MCULE-9468719402 [1,0,1,0,0,0|1,0,1]=4 1888 B5R0.3 NC(CO)CO MCULE-1559988016 [1,0,1,0,0,0|0,0,2]=4 1889 B5R0.3 NC(CO)CO MCULE-4954119952 [1,0,1,0,0,0|0,0,2]=4 1890 B5R0.3 NCC(=O)CN MCULE-2420991481 [1,0,1,0,0,0|2,0,0]=4 1891 B5R0.3 NCC(=O)CN MCULE-8626789745 [1,0,1,0,0,0|2,0,0]=4 1892 B5R0.3 NCC(=O)NN MCULE-2318099199 [1,0,1,0,0,0|1,0,0]=3 1893 B5R0.3 NCC(=O)NN MCULE-3392354502 [1,0,1,0,0,0|1,0,0]=3 1894 B5R0.3 NCC(=O)NO MCULE-5417617455 [1,0,1,0,0,0|0,0,0]=2 1895 B5R0.3 NCC(F)CO MCULE-6156319956 [1,0,1,0,0,0|1,0,1]=4 1896 B5R0.3 NCC(F)CO MCULE-7472307328 [1,0,1,0,0,0|1,0,1]=4 1897 B5R0.3 NCC(O)CO MCULE-2689763818 [1,0,1,0,0,0|1,0,1]=4 1898 B5R0.3 NCC(O)CO MCULE-6096620010 [1,0,1,0,0,0|1,0,1]=4 1899 B5R0.3 NCC(O)CO MCULE-7307777212 [1,0,1,0,0,0|1,0,1]=4 1900 B5R0.3 NC[C@@H](F)CO MCULE-3273711180 [1,0,1,0,0,0|1,0,1]=4 1901 B5R0.3 NC[C@@H](F)CO MCULE-6673969522 [1,0,1,0,0,0|1,0,1]=4 1902 B5R0.3 NC[C@@H](N)CO MCULE-7333007012 [1,0,1,0,0,0|0,0,1]=3 1903 B5R0.3 NC[C@@H](N)CO MCULE-9200386635 [1,0,1,0,0,0|0,0,1]=3 1904 B5R0.3 NC[C@@H](O)CO MCULE-7897503444 [1,0,1,0,0,0|1,0,1]=4 1905 B5R0.3 NC[C@@H](O)CO MCULE-8044821624 [1,0,1,0,0,0|1,0,1]=4 1906 B5R0.3 NC[C@@H](O)CO MCULE-9443333756 [1,0,1,0,0,0|1,0,1]=4 1907 B5R0.3 NC[C@H](F)CO MCULE-2595736378 [1,0,1,0,0,0|1,0,1]=4 1908 B5R0.3 NC[C@H](F)CO MCULE-7417074078 [1,0,1,0,0,0|1,0,1]=4 1909 B5R0.3 NC[C@H](F)CO MCULE-7938231499 [1,0,1,0,0,0|1,0,1]=4 1910 B5R0.3 NC[C@H](N)CO MCULE-1060049548 [1,0,1,0,0,0|0,0,1]=3 1911 B5R0.3 NC[C@H](N)CO MCULE-9942356112 [1,0,1,0,0,0|0,0,1]=3 1912 B5R0.3 NC[C@H](O)CO MCULE-5835551322 [1,0,1,0,0,0|1,0,1]=4 1913 B5R0.3 NC[C@H](O)CO MCULE-6021133883 [1,0,1,0,0,0|1,0,1]=4 1914 B5R0.3 NC[C@H](O)CO MCULE-7461568841 [1,0,1,0,0,0|1,0,1]=4 1915 B5R0.3 NC[C@H](O)CO MCULE-8112454132 [1,0,1,0,0,0|1,0,1]=4 1916 B5R0.3 NNC(=O)CCl MCULE-2158347473 [1,0,1,0,0,0|2,0,0]=4 1917 B5R0.3 NNC(=O)CCl MCULE-9762553206 [1,0,1,0,0,0|2,0,0]=4 1918 B5R0.3 NNC(=O)CO MCULE-8443636349 [1,0,1,0,0,0|2,0,0]=4 1919 B5R0.3 NNC(=O)CS MCULE-4913925166 [1,0,1,0,0,0|2,0,0]=4 1920 B5R0.3 NNC(=O)NN MCULE-8522412568 [1,0,1,0,0,0|2,0,0]=4 1921 B5R0.3 NNC(=O)NO MCULE-7106168898 [1,0,1,0,0,0|1,0,0]=3 1922 B5R0.3 N[C@@H](CO)CF MCULE-1103631898 [1,0,1,0,0,0|1,0,1]=4 1923 B5R0.3 N[C@@H](CO)CF MCULE-1137418239 [1,0,1,0,0,0|1,0,1]=4 1924 B5R0.3 N[C@@H](CO)CF MCULE-7452275160 [1,0,1,0,0,0|1,0,1]=4 1925 B5R0.3 N[C@@H](CO)CF MCULE-9154795583 [1,0,1,0,0,0|1,0,1]=4 1926 B5R0.3 N[C@H](CO)CF MCULE-1070351343 [1,0,1,0,0,0|1,0,1]=4 1927 B5R0.3 N[C@H](CO)CF MCULE-4715788718 [1,0,1,0,0,0|1,0,1]=4 1928 B5R0.3 N[C@H](CO)CF MCULE-8220585202 [1,0,1,0,0,0|1,0,1]=4 1929 B5R0.3 N[C@H](CO)CF MCULE-8991857376 [1,0,1,0,0,0|1,0,1]=4 1930 B5R0.3 O=C(CO)CO MCULE-7188810449 [1,0,1,0,0,0|2,0,0]=4 1931 B5R0.3 O=CC(=O)CO MCULE-7273475675 [1,0,1,0,0,0|1,0,1]=4 1932 B5R0.3 O=CC(O)CO MCULE-9581740191 [1,0,1,0,0,0|1,0,0]=3 1933 B5R0.3 O=C[C@@H](O)CO MCULE-3883857491 [1,0,1,0,0,0|1,0,0]=3 1934 B5R0.3 O=C[C@@H](O)CO MCULE-7852783182 [1,0,1,0,0,0|1,0,0]=3 1935 B5R0.3 O=C[C@H](O)CO MCULE-4574984840 [1,0,1,0,0,0|1,0,0]=3 1936 B5R0.5 C=C(C)C(=O)N MCULE-3416322097 [1,0,1,0,0,0|1,0,1]=4 1937 B5R0.5 C=C(C)C(=O)O MCULE-9899621926 [1,0,1,0,0,0|1,0,1]=4 1938 B5R0.5 CC(=O)C(=O)N MCULE-6804734996 [1,0,1,0,0,0|1,0,1]=4 1939 B5R0.5 CC(=O)C(=O)O MCULE-8587144313 [1,0,1,0,0,0|1,0,1]=4 1940 B5R0.5 CC(=O)C(C)Br MCULE-3764525199 [1,0,1,0,0,0|2,0,0]=4 1941 B5R0.5 CC(=O)C(C)C MCULE-5982732938 [1,0,1,0,0,0|2,0,0]=4 1942 B5R0.5 CC(=O)C(C)Cl MCULE-5065840606 [1,0,1,0,0,0|2,0,0]=4 1943 B5R0.5 CC(=O)C(C)F MCULE-2129925918 [1,0,1,0,0,0|2,0,0]=4 1944 B5R0.5 CC(=O)C(C)N MCULE-5716124999 [1,0,1,0,0,0|1,0,0]=3 1945 B5R0.5 CC(=O)C(C)N MCULE-9248002534 [1,0,1,0,0,0|1,0,0]=3 1946 B5R0.5 CC(=O)C(C)O MCULE-5374414264 [1,0,1,0,0,0|2,0,0]=4 1947 B5R0.5 CC(=O)C(C)S MCULE-2716722148 [1,0,1,0,0,0|2,0,0]=4 1948 B5R0.5 CC(=O)N(C)N MCULE-2447375293 [1,0,1,0,0,0|2,0,0]=4 1949 B5R0.5 CC(=O)[C@H](C)N MCULE-2609095078 [1,0,1,0,0,0|1,0,0]=3 1950 B5R0.5 CC(=O)[C@H](C)N MCULE-6039921944 [1,0,1,0,0,0|1,0,0]=3 1951 B5R0.5 CC(=O)[C@H](C)N MCULE-6387613992 [1,0,1,0,0,0|1,0,0]=3 1952 B5R0.5 CC(=O)[C@H](C)N MCULE-7052375323 [1,0,1,0,0,0|1,0,0]=3 1953 B5R0.5 CC(Br)C(=O)Br MCULE-2400047844 [1,0,1,0,0,0|2,0,0]=4 1954 B5R0.5 CC(Br)C(=O)Cl MCULE-7431871683 [1,0,1,0,0,0|2,0,0]=4 1955 B5R0.5 CC(Br)C(=O)N MCULE-9226586148 [1,0,1,0,0,0|1,0,0]=3 1956 B5R0.5 CC(Br)C(=O)O MCULE-3935837943 [1,0,1,0,0,0|1,0,0]=3 1957 B5R0.5 CC(Br)C(=O)O MCULE-6068441065 [1,0,1,0,0,0|1,0,0]=3 1958 B5R0.5 CC(C)C(=N)N MCULE-2464075086 [1,0,1,0,0,0|2,0,0]=4 1959 B5R0.5 CC(C)C(=N)N MCULE-6743996580 [1,0,1,0,0,0|2,0,0]=4 1960 B5R0.5 CC(C)C(=O)Br MCULE-3679003896 [1,0,1,0,0,0|2,0,0]=4 1961 B5R0.5 CC(C)C(=O)Cl MCULE-6582236331 [1,0,1,0,0,0|2,0,0]=4 1962 B5R0.5 CC(C)C(=O)N MCULE-9773835068 [1,0,1,0,0,0|1,0,0]=3 1963 B5R0.5 CC(C)C(=O)O MCULE-7783770647 [1,0,1,0,0,0|1,0,0]=3 1964 B5R0.5 CC(C)C(=O)S MCULE-9552406593 [1,0,1,0,0,0|1,1,0]=4 1965 B5R0.5 CC(C)C(=S)N MCULE-3546856315 [1,0,1,0,0,0|1,1,0]=4 1966 B5R0.5 CC(C)S(=O)N MCULE-8425110407 [1,0,1,0,0,0|2,0,0]=4 1967 B5R0.5 CC(C)S(=O)O MCULE-5200056082 [1,0,1,0,0,0|2,0,0]=4 1968 B5R0.5 CC(Cl)C(=N)N MCULE-2357555185 [1,0,1,0,0,0|2,0,0]=4 1969 B5R0.5 CC(Cl)C(=N)N MCULE-5302250002 [1,0,1,0,0,0|2,0,0]=4 1970 B5R0.5 CC(Cl)C(=O)Cl MCULE-6547241717 [1,0,1,0,0,0|2,0,0]=4 1971 B5R0.5 CC(Cl)C(=O)N MCULE-5322078211 [1,0,1,0,0,0|1,0,0]=3 1972 B5R0.5 CC(Cl)C(=O)O MCULE-3597230803 [1,0,1,0,0,0|1,0,0]=3 1973 B5R0.5 CC(Cl)C(=O)O MCULE-5449120618 [1,0,1,0,0,0|1,0,0]=3 1974 B5R0.5 CC(F)C(=O)O MCULE-7334922730 [1,0,1,0,0,0|1,0,0]=3 1975 B5R0.5 CC(I)C(=O)N MCULE-8608495554 [1,0,1,0,0,0|1,0,0]=3 1976 B5R0.5 CC(N)C(=O)N MCULE-1264398810 [1,0,1,0,0,0|0,0,0]=2 1977 B5R0.5 CC(N)C(=O)N MCULE-2251123672 [1,0,1,0,0,0|0,0,0]=2 1978 B5R0.5 CC(N)C(=O)N MCULE-2273926073 [1,0,1,0,0,0|0,0,0]=2 1979 B5R0.5 CC(N)C(=O)N MCULE-5340923071 [1,0,1,0,0,0|0,0,0]=2 1980 B5R0.5 CC(N)C(=O)N MCULE-6061233032 [1,0,1,0,0,0|0,0,0]=2 1981 B5R0.5 CC(N)C(=O)N MCULE-9273221837 [1,0,1,0,0,0|0,0,0]=2 1982 B5R0.5 CC(N)C(=O)O MCULE-3498369789 [1,0,1,0,0,0|0,0,0]=2 1983 B5R0.5 CC(N)C(=O)O MCULE-3809839392 [1,0,1,0,0,0|0,0,0]=2 1984 B5R0.5 CC(N)C(=O)O MCULE-4751903561 [1,0,1,0,0,0|0,0,0]=2 1985 B5R0.5 CC(N)C(=O)O MCULE-6963397848 [1,0,1,0,0,0|0,0,0]=2 1986 B5R0.5 CC(N)C(C)N MCULE-6724099648 [1,0,1,0,0,0|1,0,1]=4 1987 B5R0.5 CC(N)C(C)O MCULE-3512899672 [1,0,1,0,0,0|1,0,1]=4 1988 B5R0.5 CC(N)C(C)O MCULE-6286987696 [1,0,1,0,0,0|1,0,1]=4 1989 B5R0.5 CC(O)C(=N)N MCULE-4358846536 [1,0,1,0,0,0|2,0,0]=4 1990 B5R0.5 CC(O)C(=N)N MCULE-5644516205 [1,0,1,0,0,0|2,0,0]=4 1991 B5R0.5 CC(O)C(=O)N MCULE-6247123668 [1,0,1,0,0,0|1,0,0]=3 1992 B5R0.5 CC(O)C(=O)N MCULE-7823792358 [1,0,1,0,0,0|1,0,0]=3 1993 B5R0.5 CC(O)C(=O)O MCULE-3922256529 [1,0,1,0,0,0|1,0,0]=3 1994 B5R0.5 CC(O)C(=O)O MCULE-5387110670 [1,0,1,0,0,0|1,0,0]=3 1995 B5R0.5 CC(O)C(=O)[O-] MCULE-1056716990 [1,0,1,0,0,0|1,0,1]=4 1996 B5R0.5 CC(O)C(=O)[O-] MCULE-8184872865 [1,0,1,0,0,0|1,0,1]=4 1997 B5R0.5 CC(O)C(=O)[O-] MCULE-8730993694 [1,0,1,0,0,0|1,0,1]=4 1998 B5R0.5 CC(S)C(=O)N MCULE-1465182001 [1,0,1,0,0,0|1,0,0]=3 1999 B5R0.5 CC(S)C(=O)O MCULE-6944738352 [1,0,1,0,0,0|1,0,0]=3 2000 B5R0.5 CN(C)C(=O)N MCULE-3142720631 [1,0,1,0,0,0|2,0,0]=4 2001 B5R0.5 CN(C)C(=O)O MCULE-1039144559 [1,0,1,0,0,0|2,0,0]=4 2002 B5R0.5 CN(N)C(=O)N MCULE-9114734246 [1,0,1,0,0,0|1,0,0]=3 2003 B5R0.5 CN(N)C(=S)N MCULE-8674598291 [1,0,1,0,0,0|1,1,0]=4 2004 B5R0.5 C[C@@H](Br)C(=O)O MCULE-8303539222 [1,0,1,0,0,0|1,0,0]=3 2005 B5R0.5 C[C@@H](Br)C(=O)O MCULE-8530283309 [1,0,1,0,0,0|1,0,0]=3 2006 B5R0.5 C[C@@H](Cl)C(=O)Cl MCULE-3579498695 [1,0,1,0,0,0|2,0,0]=4 2007 B5R0.5 C[C@@H](Cl)C(=O)O MCULE-6578788045 [1,0,1,0,0,0|1,0,0]=3 2008 B5R0.5 C[C@@H](Cl)C(=O)O MCULE-8314108697 [1,0,1,0,0,0|1,0,0]=3 2009 B5R0.5 C[C@@H](F)C(=O)N MCULE-1505685009 [1,0,1,0,0,0|1,0,0]=3 2010 B5R0.5 C[C@@H](N)C(=O)N MCULE-4677983549 [1,0,1,0,0,0|0,0,0]=2 2011 B5R0.5 C[C@@H](N)C(=O)N MCULE-6112443507 [1,0,1,0,0,0|0,0,0]=2 2012 B5R0.5 C[C@@H](N)C(=O)N MCULE-7940270709 [1,0,1,0,0,0|0,0,0]=2 2013 B5R0.5 C[C@@H](N)C(=O)N MCULE-8482332558 [1,0,1,0,0,0|0,0,0]=2 2014 B5R0.5 C[C@@H](N)C(=O)O MCULE-3571488623 [1,0,1,0,0,0|0,0,0]=2 2015 B5R0.5 C[C@@H](N)C(=O)O MCULE-9756365751 [1,0,1,0,0,0|0,0,0]=2 2016 B5R0.5 C[C@@H](N)[C@@H](C)N MCULE-5194916344 [1,0,1,0,0,0|1,0,1]=4 2017 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-4537991630 [1,0,1,0,0,0|1,0,1]=4 2018 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-5710552020 [1,0,1,0,0,0|1,0,1]=4 2019 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-5951487868 [1,0,1,0,0,0|1,0,1]=4 2020 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-8093543292 [1,0,1,0,0,0|1,0,1]=4 2021 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-8196664475 [1,0,1,0,0,0|1,0,1]=4 2022 B5R0.5 C[C@@H](O)C(=N)N MCULE-1498978023 [1,0,1,0,0,0|2,0,0]=4 2023 B5R0.5 C[C@@H](O)C(=N)N MCULE-6124491136 [1,0,1,0,0,0|2,0,0]=4 2024 B5R0.5 C[C@@H](O)C(=N)N MCULE-7410387081 [1,0,1,0,0,0|2,0,0]=4 2025 B5R0.5 C[C@@H](O)C(=N)N MCULE-9566288141 [1,0,1,0,0,0|2,0,0]=4 2026 B5R0.5 C[C@@H](O)C(=O)N MCULE-2026557726 [1,0,1,0,0,0|1,0,0]=3 2027 B5R0.5 C[C@@H](O)C(=O)N MCULE-8056291801 [1,0,1,0,0,0|1,0,0]=3 2028 B5R0.5 C[C@@H](O)C(=O)O MCULE-4625208788 [1,0,1,0,0,0|1,0,0]=3 2029 B5R0.5 C[C@@H](O)C(=O)O MCULE-9141235095 [1,0,1,0,0,0|1,0,0]=3 2030 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-5673591667 [1,0,1,0,0,0|1,0,1]=4 2031 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-8146434340 [1,0,1,0,0,0|1,0,1]=4 2032 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-9026662277 [1,0,1,0,0,0|1,0,1]=4 2033 B5R0.5 C[C@H](Br)C(=O)Cl MCULE-2960953088 [1,0,1,0,0,0|2,0,0]=4 2034 B5R0.5 C[C@H](Br)C(=O)O MCULE-4788730445 [1,0,1,0,0,0|1,0,0]=3 2035 B5R0.5 C[C@H](Br)C(=O)O MCULE-9354978281 [1,0,1,0,0,0|1,0,0]=3 2036 B5R0.5 C[C@H](Cl)C(=O)O MCULE-4816831649 [1,0,1,0,0,0|1,0,0]=3 2037 B5R0.5 C[C@H](Cl)C(=O)O MCULE-8389122613 [1,0,1,0,0,0|1,0,0]=3 2038 B5R0.5 C[C@H](F)C(=O)N MCULE-7457242428 [1,0,1,0,0,0|1,0,0]=3 2039 B5R0.5 C[C@H](N)C(=O)N MCULE-4716963408 [1,0,1,0,0,0|0,0,0]=2 2040 B5R0.5 C[C@H](N)C(=O)N MCULE-6879702251 [1,0,1,0,0,0|0,0,0]=2 2041 B5R0.5 C[C@H](N)C(=O)N MCULE-7090555441 [1,0,1,0,0,0|0,0,0]=2 2042 B5R0.5 C[C@H](N)C(=O)N MCULE-7293369315 [1,0,1,0,0,0|0,0,0]=2 2043 B5R0.5 C[C@H](N)C(=O)N MCULE-7341432132 [1,0,1,0,0,0|0,0,0]=2 2044 B5R0.5 C[C@H](N)C(=O)N MCULE-7556063213 [1,0,1,0,0,0|0,0,0]=2 2045 B5R0.5 C[C@H](N)C(=O)N MCULE-8320991932 [1,0,1,0,0,0|0,0,0]=2 2046 B5R0.5 C[C@H](N)C(=O)N MCULE-8491573930 [1,0,1,0,0,0|0,0,0]=2 2047 B5R0.5 C[C@H](N)C(=O)O MCULE-4916719758 [1,0,1,0,0,0|0,0,0]=2 2048 B5R0.5 C[C@H](N)C(=O)O MCULE-5261590548 [1,0,1,0,0,0|0,0,0]=2 2049 B5R0.5 C[C@H](N)C(=O)O MCULE-7791919887 [1,0,1,0,0,0|0,0,0]=2 2050 B5R0.5 C[C@H](N)C(=O)O MCULE-8724854497 [1,0,1,0,0,0|0,0,0]=2 2051 B5R0.5 C[C@H](N)[C@@H](C)O MCULE-6389040758 [1,0,1,0,0,0|1,0,1]=4 2052 B5R0.5 C[C@H](N)[C@@H](C)O MCULE-7956913866 [1,0,1,0,0,0|1,0,1]=4 2053 B5R0.5 C[C@H](N)[C@H](C)N MCULE-1560418234 [1,0,1,0,0,0|1,0,1]=4 2054 B5R0.5 C[C@H](N)[C@H](C)O MCULE-1340338147 [1,0,1,0,0,0|1,0,1]=4 2055 B5R0.5 C[C@H](N)[C@H](C)O MCULE-1738016964 [1,0,1,0,0,0|1,0,1]=4 2056 B5R0.5 C[C@H](N)[C@H](C)O MCULE-2254798251 [1,0,1,0,0,0|1,0,1]=4 2057 B5R0.5 C[C@H](N)[C@H](C)O MCULE-7688101680 [1,0,1,0,0,0|1,0,1]=4 2058 B5R0.5 C[C@H](O)C(=O)N MCULE-8400190365 [1,0,1,0,0,0|1,0,0]=3 2059 B5R0.5 C[C@H](O)C(=O)O MCULE-5695391344 [1,0,1,0,0,0|1,0,0]=3 2060 B5R0.5 C[C@H](O)C(=O)O MCULE-8864689875 [1,0,1,0,0,0|1,0,0]=3 2061 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-1034285072 [1,0,1,0,0,0|1,0,1]=4 2062 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-3598405830 [1,0,1,0,0,0|1,0,1]=4 2063 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-7525689298 [1,0,1,0,0,0|1,0,1]=4 2064 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-8057429776 [1,0,1,0,0,0|1,0,1]=4 2065 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-8729310894 [1,0,1,0,0,0|1,0,1]=4 2066 B5R0.5 C[C@H](O)[C@@H](C)N MCULE-3776841970 [1,0,1,0,0,0|1,0,1]=4 2067 B5R0.5 C[C@H](O)[C@@H](C)N MCULE-4906999918 [1,0,1,0,0,0|1,0,1]=4 2068 B5R0.5 C[C@H](O)[C@@H](C)N MCULE-5860404631 [1,0,1,0,0,0|1,0,1]=4 2069 B5R0.5 C[C@H](O)[C@@H](C)N MCULE-5888789996 [1,0,1,0,0,0|1,0,1]=4 2070 B5R0.5 NC(=O)C(=O)N MCULE-9024594322 [1,0,1,0,0,0|0,0,2]=4 2071 B5R0.5 NC(=O)C(=O)O MCULE-4442165428 [1,0,1,0,0,0|1,0,1]=4 2072 B5R0.5 NC(=O)C(Cl)Br MCULE-9082770089 [1,0,1,0,0,0|2,0,0]=4 2073 B5R0.5 NC(=O)C(Cl)Cl MCULE-3389337354 [1,0,1,0,0,0|2,0,0]=4 2074 B5R0.5 NC(=O)C(F)Br MCULE-8795303515 [1,0,1,0,0,0|2,0,0]=4 2075 B5R0.5 NC(=O)C(F)Cl MCULE-4267127037 [1,0,1,0,0,0|2,0,0]=4 2076 B5R0.5 NC(=O)C(F)F MCULE-7881392368 [1,0,1,0,0,0|2,0,0]=4 2077 B5R0.5 NC(=O)C(F)I MCULE-6067421301 [1,0,1,0,0,0|2,0,0]=4 2078 B5R0.5 NC(O)C(=O)O MCULE-6546070388 [1,0,1,0,0,0|1,0,0]=3 2079 B5R0.5 O=C(O)C(Br)Br MCULE-4908900588 [1,0,1,0,0,0|2,0,0]=4 2080 B5R0.5 O=C(O)C(Cl)Br MCULE-4569127340 [1,0,1,0,0,0|2,0,0]=4 2081 B5R0.5 O=C(O)C(Cl)Cl MCULE-1246638159 [1,0,1,0,0,0|2,0,0]=4 2082 B5R0.5 O=C(O)C(F)Br MCULE-5639771935 [1,0,1,0,0,0|2,0,0]=4 2083 B5R0.5 O=C(O)C(F)Cl MCULE-8791727704 [1,0,1,0,0,0|2,0,0]=4 2084 B5R0.5 O=C(O)C(F)F MCULE-9791449975 [1,0,1,0,0,0|2,0,0]=4 2085 B5R0.5 O=C(O)C(F)I MCULE-2596137309 [1,0,1,0,0,0|2,0,0]=4 2086 B5R0.5 O=C(O)C(O)O MCULE-8045135900 [1,0,1,0,0,0|2,0,0]=4 2087 B5R0.5 O=C(O)[C@@H](F)Cl MCULE-9934674808 [1,0,1,0,0,0|2,0,0]=4 2088 B5R0.5 O=C(O)[C@H](F)Cl MCULE-8184552815 [1,0,1,0,0,0|2,0,0]=4 2089 B5R0.5 [C@@H](C)(O)C(=O)N MCULE-6953360641 [1,0,1,0,0,0|1,0,0]=3 2090 B5R1.1 B1CCOO1 MCULE-4859234466 [2,0,0,0,0,0|2,0,0]=4 2091 B5R1.1 C1=CCCC1 MCULE-8785635218 [2,0,0,0,0,0|2,0,0]=4 2092 B5R1.1 C1=CCOC1 MCULE-1252378718 [2,0,0,0,0,0|1,0,1]=4 2093 B5R1.1 C1=COCC1 MCULE-7714726225 [2,0,0,0,0,0|1,0,0]=3 2094 B5R1.1 C1=NCCN1 MCULE-6281004177 [2,0,0,0,0,0|2,0,0]=4 2095 B5R1.1 C1=NNCC1 MCULE-2270087414 [2,0,0,0,0,0|1,0,1]=4 2096 B5R1.1 C1CCNC1 MCULE-2816679267 [2,0,0,0,0,0|1,0,1]=4 2097 B5R1.1 C1CCNC1 MCULE-8439725600 [2,0,0,0,0,0|1,0,1]=4 2098 B5R1.1 C1CCNC1 MCULE-8653165010 [2,0,0,0,0,0|1,0,1]=4 2099 B5R1.1 C1CCNC1 MCULE-9053007443 [2,0,0,0,0,0|1,0,1]=4 2100 B5R1.1 C1CCOC1 MCULE-3873245085 [2,0,0,0,0,0|1,0,1]=4 2101 B5R1.1 C1CNNC1 MCULE-9192384720 [2,0,0,0,0,0|1,0,1]=4 2102 B5R1.1 C1CNNC1 MCULE-9418244562 [2,0,0,0,0,0|1,0,1]=4 2103 B5R1.1 C1CNOC1 MCULE-3922840312 [2,0,0,0,0,0|0,0,1]=3 2104 B5R1.1 C1CNOC1 MCULE-6084499894 [2,0,0,0,0,0|0,0,1]=3 2105 B5R1.1 C1COCN1 MCULE-4693733872 [2,0,0,0,0,0|2,0,0]=4 2106 B5R1.1 C1COCO1 MCULE-3967810235 [2,0,0,0,0,0|2,0,0]=4 2107 B7R0.2 CC(=O)NC(=O)CBr MCULE-3222708274 [0,1,1,0,0,0|2,0,0]=4 2108 B7R0.2 CC(C)CC(=O)CN MCULE-2435223768 [0,1,1,0,0,0|2,0,0]=4 2109 B7R0.2 CC(C)CC(=O)CN MCULE-7131454463 [0,1,1,0,0,0|2,0,0]=4 2110 B7R0.2 CC(C)C[C@H](N)C=O MCULE-3713415627 [0,1,1,0,0,0|2,0,0]=4 2111 B7R0.2 CC(C)NC(=O)CBr MCULE-1272363222 [0,1,1,0,0,0|2,0,0]=4 2112 B7R0.2 CC(C)NC(=O)CCl MCULE-8342964960 [0,1,1,0,0,0|2,0,0]=4 2113 B7R0.2 CC(C)NC(=O)CI MCULE-8316056040 [0,1,1,0,0,0|2,0,0]=4 2114 B7R0.2 CC(C)NC(=O)CN MCULE-7188824856 [0,1,1,0,0,0|1,0,0]=3 2115 B7R0.2 CC(C)NC(=O)CN MCULE-8867435369 [0,1,1,0,0,0|1,0,0]=3 2116 B7R0.2 CC(C)NC(=O)CO MCULE-5386700783 [0,1,1,0,0,0|2,0,0]=4 2117 B7R0.2 CC(C)OC(=O)CN MCULE-4475626262 [0,1,1,0,0,0|2,0,0]=4 2118 B7R0.2 CC(C)OC(=O)CN MCULE-5696337645 [0,1,1,0,0,0|2,0,0]=4 2119 B7R0.2 CCC(=O)NC(C)C MCULE-3565002235 [0,1,1,0,0,0|2,0,0]=4 2120 B7R0.3 C#CCNC(=O)CN MCULE-4492178837 [0,1,1,0,0,0|1,0,1]=4 2121 B7R0.3 C#CCNC(=O)CN MCULE-7672614770 [0,1,1,0,0,0|1,0,1]=4 2122 B7R0.3 C=CCNC(=O)CN MCULE-8221456161 [0,1,1,0,0,0|1,0,1]=4 2123 B7R0.3 C=CCNC(=O)CN MCULE-9764331326 [0,1,1,0,0,0|1,0,1]=4 2124 B7R0.3 CCC(=O)NCCN MCULE-3384406070 [0,1,1,0,0,0|2,0,0]=4 2125 B7R0.3 CCC(=O)NCCN MCULE-3992696592 [0,1,1,0,0,0|2,0,0]=4 2126 B7R0.3 CCC(=O)NCCN MCULE-4556462042 [0,1,1,0,0,0|2,0,0]=4 2127 B7R0.3 CCC(=O)NCCO MCULE-7351790148 [0,1,1,0,0,0|2,0,0]=4 2128 B7R0.3 CCC(=O)OCOC MCULE-8101176829 [0,1,1,0,0,0|2,0,0]=4 2129 B7R0.3 CCCNC(=O)CBr MCULE-3357000060 [0,1,1,0,0,0|2,0,0]=4 2130 B7R0.3 CCCNC(=O)CCl MCULE-3171078913 [0,1,1,0,0,0|2,0,0]=4 2131 B7R0.3 CCCNC(=O)CN MCULE-2964958967 [0,1,1,0,0,0|1,0,0]=3 2132 B7R0.3 CCCNC(=O)CN MCULE-4880764199 [0,1,1,0,0,0|1,0,0]=3 2133 B7R0.3 CCCNC(=O)NN MCULE-9369722445 [0,1,1,0,0,0|2,0,0]=4 2134 B7R0.3 CCCOC(=O)CN MCULE-5016724090 [0,1,1,0,0,0|2,0,0]=4 2135 B7R0.3 CCCOC(=O)CN MCULE-9899563764 [0,1,1,0,0,0|2,0,0]=4 2136 B7R0.3 CCOCC(=O)CCl MCULE-3495077500 [0,1,1,0,0,0|2,0,0]=4 2137 B7R0.3 CCOCC(=O)NN MCULE-1157330147 [0,1,1,0,0,0|2,0,0]=4 2138 B7R0.3 CCOCC(=O)NN MCULE-3371253482 [0,1,1,0,0,0|2,0,0]=4 2139 B7R0.3 CCONC(=O)CN MCULE-8014418978 [0,1,1,0,0,0|0,0,0]=2 2140 B7R0.3 CCONC(=O)CN MCULE-9229677559 [0,1,1,0,0,0|0,0,0]=2 2141 B7R0.3 COCCC(=O)CCl MCULE-2918704994 [0,1,1,0,0,0|2,0,0]=4 2142 B7R0.3 COCCC(=O)NN MCULE-6895114863 [0,1,1,0,0,0|2,0,0]=4 2143 B7R0.3 N#CCNC(=O)CN MCULE-1672566609 [0,1,1,0,0,0|1,0,1]=4 2144 B7R0.3 N#CCNC(=O)CN MCULE-7737504322 [0,1,1,0,0,0|1,0,1]=4 2145 B7R0.3 NCC(=O)NCCF MCULE-1969796129 [0,1,1,0,0,0|1,0,0]=3 2146 B7R0.3 NCC(=O)NCCF MCULE-9924478230 [0,1,1,0,0,0|1,0,0]=3 2147 B7R0.3 NCC(=O)NCCO MCULE-3809178129 [0,1,1,0,0,0|1,0,0]=3 2148 B7R0.3 NCC(=O)NCCO MCULE-7057019123 [0,1,1,0,0,0|1,0,0]=3 2149 B7R0.3 NCC(=O)OCCCl MCULE-7924059164 [0,1,1,0,0,0|2,0,0]=4 2150 B7R0.3 NCC(=O)OCCCl MCULE-9260214783 [0,1,1,0,0,0|2,0,0]=4 2151 B7R0.3 NCCNC(=O)CCl MCULE-6059411085 [0,1,1,0,0,0|2,0,0]=4 2152 B7R0.3 NCCNC(=O)CCl MCULE-7545329795 [0,1,1,0,0,0|2,0,0]=4 2153 B7R0.3 O=C(CCl)NCCCl MCULE-2029189763 [0,1,1,0,0,0|2,0,0]=4 2154 B7R0.3 O=C(CCl)NCCO MCULE-2803332455 [0,1,1,0,0,0|2,0,0]=4 2155 B7R0.3 O=C(CO)NCCO MCULE-8933511918 [0,1,1,0,0,0|2,0,0]=4 2156 B7R0.5 C#CCC(N)C(=O)O MCULE-2022398365 [0,1,1,0,0,0|2,0,0]=4 2157 B7R0.5 C#CCC(N)C(=O)O MCULE-2451098139 [0,1,1,0,0,0|2,0,0]=4 2158 B7R0.5 C#CCC(N)C(=O)O MCULE-4330300997 [0,1,1,0,0,0|2,0,0]=4 2159 B7R0.5 C#CCC(N)C(=O)O MCULE-5100293043 [0,1,1,0,0,0|2,0,0]=4 2160 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-1266511504 [0,1,1,0,0,0|2,0,0]=4 2161 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-2589808316 [0,1,1,0,0,0|2,0,0]=4 2162 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-4703021434 [0,1,1,0,0,0|2,0,0]=4 2163 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-5616417783 [0,1,1,0,0,0|2,0,0]=4 2164 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-1593368546 [0,1,1,0,0,0|2,0,0]=4 2165 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-5683421535 [0,1,1,0,0,0|2,0,0]=4 2166 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-7302855511 [0,1,1,0,0,0|2,0,0]=4 2167 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-9256626051 [0,1,1,0,0,0|2,0,0]=4 2168 B7R0.5 C=CCC(N)C(=O)O MCULE-1550468430 [0,1,1,0,0,0|2,0,0]=4 2169 B7R0.5 C=CCC(N)C(=O)O MCULE-1783682768 [0,1,1,0,0,0|2,0,0]=4 2170 B7R0.5 C=CCC(N)C(=O)O MCULE-8721864064 [0,1,1,0,0,0|2,0,0]=4 2171 B7R0.5 C=CCC(N)C(=O)O MCULE-9091562338 [0,1,1,0,0,0|2,0,0]=4 2172 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-3817126030 [0,1,1,0,0,0|2,0,0]=4 2173 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-5479618260 [0,1,1,0,0,0|2,0,0]=4 2174 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-6719393730 [0,1,1,0,0,0|2,0,0]=4 2175 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-7577627870 [0,1,1,0,0,0|2,0,0]=4 2176 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-2073484196 [0,1,1,0,0,0|2,0,0]=4 2177 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-3267648941 [0,1,1,0,0,0|2,0,0]=4 2178 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-4183531139 [0,1,1,0,0,0|2,0,0]=4 2179 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-8225762047 [0,1,1,0,0,0|2,0,0]=4 2180 B7R0.5 CC(CCN)C(=O)O MCULE-8098419324 [0,1,1,0,0,0|2,0,0]=4 2181 B7R0.5 CC(CCN)C(=O)O MCULE-8509861009 [0,1,1,0,0,0|2,0,0]=4 2182 B7R0.5 CCCC(N)C(=O)N MCULE-5159221123 [0,1,1,0,0,0|2,0,0]=4 2183 B7R0.5 CCCC(N)C(=O)N MCULE-5742773956 [0,1,1,0,0,0|2,0,0]=4 2184 B7R0.5 CCCC(N)C(=O)O MCULE-1684743992 [0,1,1,0,0,0|2,0,0]=4 2185 B7R0.5 CCCC(N)C(=O)O MCULE-5263067403 [0,1,1,0,0,0|2,0,0]=4 2186 B7R0.5 CCCC(N)C(=O)O MCULE-7151907627 [0,1,1,0,0,0|2,0,0]=4 2187 B7R0.5 CCC[C@@H](N)C(=O)O MCULE-1302378905 [0,1,1,0,0,0|2,0,0]=4 2188 B7R0.5 CCC[C@@H](N)C(=O)O MCULE-5246507817 [0,1,1,0,0,0|2,0,0]=4 2189 B7R0.5 CCC[C@H](N)C(=O)N MCULE-2163059771 [0,1,1,0,0,0|2,0,0]=4 2190 B7R0.5 CCC[C@H](N)C(=O)N MCULE-4687172013 [0,1,1,0,0,0|2,0,0]=4 2191 B7R0.5 CCC[C@H](N)C(=O)N MCULE-7482592029 [0,1,1,0,0,0|2,0,0]=4 2192 B7R0.5 CCC[C@H](N)C(=O)N MCULE-9639796243 [0,1,1,0,0,0|2,0,0]=4 2193 B7R0.5 CCC[C@H](N)C(=O)O MCULE-2890516597 [0,1,1,0,0,0|2,0,0]=4 2194 B7R0.5 CCC[C@H](N)C(=O)O MCULE-4690406880 [0,1,1,0,0,0|2,0,0]=4 2195 B7R0.5 CCC[C@H](N)C(=O)O MCULE-9323049450 [0,1,1,0,0,0|2,0,0]=4 2196 B7R0.5 CCNC(=O)C(C)Br MCULE-4342500989 [0,1,1,0,0,0|2,0,0]=4 2197 B7R0.5 CCNC(=O)C(C)Cl MCULE-2094375104 [0,1,1,0,0,0|2,0,0]=4 2198 B7R0.5 CCNC(=O)C(C)N MCULE-7767946644 [0,1,1,0,0,0|1,0,0]=3 2199 B7R0.5 CCNC(=O)C(C)N MCULE-8324775088 [0,1,1,0,0,0|1,0,0]=3 2200 B7R0.5 CCNC(=O)C(C)N MCULE-9028977052 [0,1,1,0,0,0|1,0,0]=3 2201 B7R0.5 CCNC(=O)N(C)N MCULE-4378383472 [0,1,1,0,0,0|2,0,0]=4 2202 B7R0.5 CCNC(=O)[C@H](C)N MCULE-1043080386 [0,1,1,0,0,0|1,0,0]=3 2203 B7R0.5 CCNC(=O)[C@H](C)O MCULE-9098995292 [0,1,1,0,0,0|2,0,0]=4 2204 B7R0.5 CCOC(=O)C(C)N MCULE-1694144423 [0,1,1,0,0,0|2,0,0]=4 2205 B7R0.5 CCOC(=O)C(C)N MCULE-4073874506 [0,1,1,0,0,0|2,0,0]=4 2206 B7R0.5 CCOC(=O)C(C)N MCULE-4082731166 [0,1,1,0,0,0|2,0,0]=4 2207 B7R0.5 CCOC(=O)C(C)N MCULE-5175870607 [0,1,1,0,0,0|2,0,0]=4 2208 B7R0.5 CCOC(=O)[C@@H](C)N MCULE-1553164105 [0,1,1,0,0,0|2,0,0]=4 2209 B7R0.5 CCOC(=O)[C@@H](C)N MCULE-2294196196 [0,1,1,0,0,0|2,0,0]=4 2210 B7R0.5 CCOC(=O)[C@@H](C)N MCULE-4613491627 [0,1,1,0,0,0|2,0,0]=4 2211 B7R0.5 CCOC(=O)[C@@H](C)N MCULE-8190900780 [0,1,1,0,0,0|2,0,0]=4 2212 B7R0.5 CCOC(=O)[C@H](C)N MCULE-4397919899 [0,1,1,0,0,0|2,0,0]=4 2213 B7R0.5 CCOC(=O)[C@H](C)N MCULE-4404274511 [0,1,1,0,0,0|2,0,0]=4 2214 B7R0.5 CCOC(=O)[C@H](C)N MCULE-7626045082 [0,1,1,0,0,0|2,0,0]=4 2215 B7R0.5 CCOC(=O)[C@H](C)N MCULE-8333235087 [0,1,1,0,0,0|2,0,0]=4 2216 B7R0.5 CCSC(=O)C(C)N MCULE-3205133332 [0,1,1,0,0,0|2,0,0]=4 2217 B7R0.5 CCSC(=O)C(C)N MCULE-4228316337 [0,1,1,0,0,0|2,0,0]=4 2218 B7R0.5 CCSC(=O)[C@H](C)N MCULE-3136283874 [0,1,1,0,0,0|2,0,0]=4 2219 B7R0.5 CCSC(=O)[C@H](C)N MCULE-7218618193 [0,1,1,0,0,0|2,0,0]=4 2220 B7R0.5 CCSC(=O)[C@H](C)N MCULE-8421179745 [0,1,1,0,0,0|2,0,0]=4 2221 B7R0.5 CCSC(=O)[C@H](C)N MCULE-9872171069 [0,1,1,0,0,0|2,0,0]=4 2222 B7R0.5 CNCC(N)C(=O)O MCULE-4360775406 [0,1,1,0,0,0|2,0,0]=4 2223 B7R0.5 CNCC(N)C(=O)O MCULE-4913403405 [0,1,1,0,0,0|2,0,0]=4 2224 B7R0.5 CNC[C@H](N)C(=O)O MCULE-3465445123 [0,1,1,0,0,0|2,0,0]=4 2225 B7R0.5 CNC[C@H](N)C(=O)O MCULE-7309489523 [0,1,1,0,0,0|2,0,0]=4 2226 B7R0.5 CNC[C@H](N)C(=O)O MCULE-8418254346 [0,1,1,0,0,0|2,0,0]=4 2227 B7R0.5 CNC[C@H](N)C(=O)O MCULE-8752314299 [0,1,1,0,0,0|2,0,0]=4 2228 B7R0.5 COCC(=O)C(C)C MCULE-8251961368 [0,1,1,0,0,0|2,0,0]=4 2229 B7R0.5 COCC(Br)C(=O)O MCULE-2977381282 [0,1,1,0,0,0|2,0,0]=4 2230 B7R0.5 COCC(C)C(=O)C MCULE-5328927786 [0,1,1,0,0,0|2,0,0]=4 2231 B7R0.5 COCC(C)C(=O)O MCULE-9776415948 [0,1,1,0,0,0|2,0,0]=4 2232 B7R0.5 COCC(Cl)C(=O)O MCULE-1439107016 [0,1,1,0,0,0|2,0,0]=4 2233 B7R0.5 COCC(N)C(=O)N MCULE-2465830538 [0,1,1,0,0,0|1,0,0]=3 2234 B7R0.5 COCC(N)C(=O)N MCULE-6194410780 [0,1,1,0,0,0|1,0,0]=3 2235 B7R0.5 COCC(N)C(=O)O MCULE-4336440568 [0,1,1,0,0,0|1,0,0]=3 2236 B7R0.5 COCC(N)C(=O)O MCULE-4899043582 [0,1,1,0,0,0|1,0,0]=3 2237 B7R0.5 COCC(N)C(=O)O MCULE-6964823693 [0,1,1,0,0,0|1,0,0]=3 2238 B7R0.5 COCC(N)C(=O)O MCULE-7037870255 [0,1,1,0,0,0|1,0,0]=3 2239 B7R0.5 COCC(O)C(=O)O MCULE-3185498869 [0,1,1,0,0,0|2,0,0]=4 2240 B7R0.5 COC[C@@H](N)C(=O)O MCULE-1827086666 [0,1,1,0,0,0|1,0,0]=3 2241 B7R0.5 COC[C@@H](N)C(=O)O MCULE-4868456769 [0,1,1,0,0,0|1,0,0]=3 2242 B7R0.5 COC[C@@H](N)C(=O)O MCULE-5275247485 [0,1,1,0,0,0|1,0,0]=3 2243 B7R0.5 COC[C@@H](N)C(=O)O MCULE-7339751251 [0,1,1,0,0,0|1,0,0]=3 2244 B7R0.5 COC[C@H](N)C(=O)O MCULE-3719679803 [0,1,1,0,0,0|1,0,0]=3 2245 B7R0.5 COC[C@H](N)C(=O)O MCULE-4874807874 [0,1,1,0,0,0|1,0,0]=3 2246 B7R0.5 COC[C@H](N)C(=O)O MCULE-5303156917 [0,1,1,0,0,0|1,0,0]=3 2247 B7R0.5 COC[C@H](N)C(=O)O MCULE-8138564560 [0,1,1,0,0,0|1,0,0]=3 2248 B7R0.5 CSCC(N)C(=O)O MCULE-7668628251 [0,1,1,0,0,0|1,1,0]=4 2249 B7R0.5 CSC[C@H](N)C(=O)O MCULE-1178337776 [0,1,1,0,0,0|1,1,0]=4 2250 B7R0.5 CSC[C@H](N)C(=O)O MCULE-2769761337 [0,1,1,0,0,0|1,1,0]=4 2251 B7R0.5 C[Se]CC(N)C(=O)O MCULE-3357465269 [0,1,1,0,0,0|1,1,0]=4 2252 B7R0.5 C[Se]CC(N)C(=O)O MCULE-7671606756 [0,1,1,0,0,0|1,1,0]=4 2253 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-5208306365 [0,1,1,0,0,0|1,1,0]=4 2254 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-6734478742 [0,1,1,0,0,0|1,1,0]=4 2255 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-6760615750 [0,1,1,0,0,0|1,1,0]=4 2256 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-7512025617 [0,1,1,0,0,0|1,1,0]=4 2257 B7R0.5 N#CCC(N)C(=O)O MCULE-4929926467 [0,1,1,0,0,0|1,0,1]=4 2258 B7R0.5 N#CC[C@H](N)C(=O)O MCULE-6294926701 [0,1,1,0,0,0|1,0,1]=4 2259 B7R0.5 N#CC[C@H](N)C(=O)O MCULE-6432920316 [0,1,1,0,0,0|1,0,1]=4 2260 B7R0.5 NC(CCBr)C(=O)O MCULE-1900559475 [0,1,1,0,0,0|2,0,0]=4 2261 B7R0.5 NC(CCBr)C(=O)O MCULE-7293320576 [0,1,1,0,0,0|2,0,0]=4 2262 B7R0.5 NC(CCF)C(=O)O MCULE-5519595590 [0,1,1,0,0,0|2,0,0]=4 2263 B7R0.5 NC(CCF)C(=O)O MCULE-7293194855 [0,1,1,0,0,0|2,0,0]=4 2264 B7R0.5 NC(CCO)C(=O)O MCULE-1744838687 [0,1,1,0,0,0|2,0,0]=4 2265 B7R0.5 NC(CCO)C(=O)O MCULE-9642233758 [0,1,1,0,0,0|2,0,0]=4 2266 B7R0.5 NC(CCS)C(=O)O MCULE-8057550187 [0,1,1,0,0,0|2,0,0]=4 2267 B7R0.5 NC(CCS)C(=O)O MCULE-8117596001 [0,1,1,0,0,0|2,0,0]=4 2268 B7R0.5 NC(CNO)C(=O)O MCULE-2332662988 [0,1,1,0,0,0|2,0,0]=4 2269 B7R0.5 NCCC(F)C(=O)O MCULE-5068755002 [0,1,1,0,0,0|2,0,0]=4 2270 B7R0.5 NCCC(F)C(=O)O MCULE-9196695600 [0,1,1,0,0,0|2,0,0]=4 2271 B7R0.5 NCCC(N)C(=O)O MCULE-1239764966 [0,1,1,0,0,0|1,0,0]=3 2272 B7R0.5 NCCC(N)C(=O)O MCULE-2441123923 [0,1,1,0,0,0|1,0,0]=3 2273 B7R0.5 NCCC(N)C(=O)O MCULE-3966593369 [0,1,1,0,0,0|1,0,0]=3 2274 B7R0.5 NCCC(N)C(=O)O MCULE-4212078130 [0,1,1,0,0,0|1,0,0]=3 2275 B7R0.5 NCCC(N)C(=O)O MCULE-7713366571 [0,1,1,0,0,0|1,0,0]=3 2276 B7R0.5 NCCC(N)C(=O)O MCULE-8402131049 [0,1,1,0,0,0|1,0,0]=3 2277 B7R0.5 NCCC(N)C(=O)O MCULE-9198187552 [0,1,1,0,0,0|1,0,0]=3 2278 B7R0.5 NCCC(O)C(=O)O MCULE-3670080484 [0,1,1,0,0,0|2,0,0]=4 2279 B7R0.5 NCCC(O)C(=O)O MCULE-6540935279 [0,1,1,0,0,0|2,0,0]=4 2280 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-4000770618 [0,1,1,0,0,0|1,0,0]=3 2281 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-5775312784 [0,1,1,0,0,0|1,0,0]=3 2282 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-6259961704 [0,1,1,0,0,0|1,0,0]=3 2283 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-9871958374 [0,1,1,0,0,0|1,0,0]=3 2284 B7R0.5 NCC[C@@H](O)C(=O)O MCULE-9726912888 [0,1,1,0,0,0|2,0,0]=4 2285 B7R0.5 NCC[C@H](N)C(=O)O MCULE-1745978456 [0,1,1,0,0,0|1,0,0]=3 2286 B7R0.5 NCC[C@H](N)C(=O)O MCULE-3856066353 [0,1,1,0,0,0|1,0,0]=3 2287 B7R0.5 NCC[C@H](N)C(=O)O MCULE-3919721317 [0,1,1,0,0,0|1,0,0]=3 2288 B7R0.5 NCC[C@H](N)C(=O)O MCULE-5434373726 [0,1,1,0,0,0|1,0,0]=3 2289 B7R0.5 NCC[C@H](N)C(=O)O MCULE-5992578597 [0,1,1,0,0,0|1,0,0]=3 2290 B7R0.5 NCC[C@H](N)C(=O)O MCULE-6536533546 [0,1,1,0,0,0|1,0,0]=3 2291 B7R0.5 NCC[C@H](N)C(=O)O MCULE-6978035806 [0,1,1,0,0,0|1,0,0]=3 2292 B7R0.5 NCC[C@H](N)C(=O)O MCULE-8762011291 [0,1,1,0,0,0|1,0,0]=3 2293 B7R0.5 NCC[C@H](N)C(=O)O MCULE-9645608127 [0,1,1,0,0,0|1,0,0]=3 2294 B7R0.5 NCC[C@H](O)C(=O)O MCULE-3296998083 [0,1,1,0,0,0|2,0,0]=4 2295 B7R0.5 NCC[C@H](O)C(=O)O MCULE-7901866019 [0,1,1,0,0,0|2,0,0]=4 2296 B7R0.5 NOC[C@H](N)C(=O)O MCULE-1050292176 [0,1,1,0,0,0|0,0,0]=2 2297 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-2388269464 [0,1,1,0,0,0|2,0,0]=4 2298 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-2456796412 [0,1,1,0,0,0|2,0,0]=4 2299 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-6229782603 [0,1,1,0,0,0|2,0,0]=4 2300 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-8123446168 [0,1,1,0,0,0|2,0,0]=4 2301 B7R0.5 N[C@@H](CCO)C(=O)O MCULE-2370353784 [0,1,1,0,0,0|2,0,0]=4 2302 B7R0.5 N[C@@H](CCO)C(=O)O MCULE-4861747928 [0,1,1,0,0,0|2,0,0]=4 2303 B7R0.5 N[C@@H](CCS)C(=O)O MCULE-4021115723 [0,1,1,0,0,0|2,0,0]=4 2304 B7R0.5 N[C@@H](CCS)C(=O)O MCULE-7661321953 [0,1,1,0,0,0|2,0,0]=4 2305 B7R0.5 N[C@@H](CSS)C(=O)O MCULE-3029500977 [0,1,1,0,0,0|1,1,0]=4 2306 B7R0.5 N[C@H](CCBr)C(=O)O MCULE-1975650690 [0,1,1,0,0,0|2,0,0]=4 2307 B7R0.5 N[C@H](CCBr)C(=O)O MCULE-7245104465 [0,1,1,0,0,0|2,0,0]=4 2308 B7R0.5 N[C@H](CCO)C(=O)O MCULE-8005652100 [0,1,1,0,0,0|2,0,0]=4 2309 B7R0.5 N[C@H](CCO)C(=O)O MCULE-8613625039 [0,1,1,0,0,0|2,0,0]=4 2310 B7R0.5 N[C@H](CCS)C(=O)O MCULE-1110046008 [0,1,1,0,0,0|2,0,0]=4 2311 B7R0.5 N[C@H](CCS)C(=O)O MCULE-7556963357 [0,1,1,0,0,0|2,0,0]=4 2312 B7R0.5 [C@H](N)(CC#C)C(=O)O MCULE-7308061694 [0,1,1,0,0,0|2,0,0]=4 2313 B7R0.7 C=CCC(N)COC MCULE-6306522587 [0,1,1,0,0,0|2,0,0]=4 2314 B7R0.7 CCNC(=O)CC#N MCULE-4756290560 [0,1,1,0,0,0|1,0,1]=4 2315 B7R0.7 CCNC(=O)CCCl MCULE-3246776319 [0,1,1,0,0,0|2,0,0]=4 2316 B7R0.7 CCNC(=O)CCN MCULE-2856252531 [0,1,1,0,0,0|1,0,0]=3 2317 B7R0.7 CCNC(=O)CCN MCULE-3929666209 [0,1,1,0,0,0|1,0,0]=3 2318 B7R0.7 CCNC(=O)CCO MCULE-3624072697 [0,1,1,0,0,0|2,0,0]=4 2319 B7R0.7 CCNC(=O)CNC MCULE-1939824251 [0,1,1,0,0,0|1,0,0]=3 2320 B7R0.7 CCNC(=O)CNC MCULE-2815515396 [0,1,1,0,0,0|1,0,0]=3 2321 B7R0.7 CCNC(=O)NCC MCULE-2253571388 [0,1,1,0,0,0|2,0,0]=4 2322 B7R0.7 CCNC(=O)OCC MCULE-3910060770 [0,1,1,0,0,0|2,0,0]=4 2323 B7R0.7 CCOC(=O)CCN MCULE-4383008445 [0,1,1,0,0,0|2,0,0]=4 2324 B7R0.7 CCOC(=O)CCN MCULE-6873709061 [0,1,1,0,0,0|2,0,0]=4 2325 B7R0.7 CCOC(=O)CNC MCULE-3219895330 [0,1,1,0,0,0|2,0,0]=4 2326 B7R0.7 CCOC(=O)CNC MCULE-6164649520 [0,1,1,0,0,0|2,0,0]=4 2327 B7R0.7 CCOC(=O)CNN MCULE-2832319636 [0,1,1,0,0,0|2,0,0]=4 2328 B7R0.7 CCOC(=O)CNN MCULE-3479623348 [0,1,1,0,0,0|2,0,0]=4 2329 B7R0.7 CCOC(=O)CNN MCULE-5066106273 [0,1,1,0,0,0|2,0,0]=4 2330 B7R0.7 CCOC(=O)COC MCULE-7739678079 [0,1,1,0,0,0|2,0,0]=4 2331 B7R0.7 CCOC(=O)CON MCULE-4924818206 [0,1,1,0,0,0|2,0,0]=4 2332 B7R0.7 CCOC(=O)NNC MCULE-8689837834 [0,1,1,0,0,0|2,0,0]=4 2333 B7R0.7 CCOC(=O)NOC MCULE-2256963329 [0,1,1,0,0,0|1,0,0]=3 2334 B7R0.7 COCC(=O)CC#N MCULE-7023614757 [0,1,1,0,0,0|1,0,1]=4 2335 B7R0.7 COCC(=O)COC MCULE-5119511792 [0,1,1,0,0,0|2,0,0]=4 2336 B7R0.10 C=CC(=O)N(C)OC MCULE-8945434721 [0,1,1,0,0,0|1,0,1]=4 2337 B7R0.10 CCC(=O)C(=O)OC MCULE-6526576267 [0,1,1,0,0,0|2,0,0]=4 2338 B7R0.10 CCC(=O)N(C)CC MCULE-1764457516 [0,1,1,0,0,0|2,0,0]=4 2339 B7R0.10 CCC(=O)N(C)OC MCULE-7450696534 [0,1,1,0,0,0|1,0,0]=3 2340 B7R0.10 CCN(C)C(=O)CBr MCULE-4444194334 [0,1,1,0,0,0|2,0,0]=4 2341 B7R0.10 CCN(C)C(=O)CCl MCULE-7762522604 [0,1,1,0,0,0|2,0,0]=4 2342 B7R0.10 COC(=O)C(=O)CBr MCULE-7596502094 [0,1,1,0,0,0|2,0,0]=4 2343 B7R0.10 COC(=O)C(=O)NN MCULE-7834741474 [0,1,1,0,0,0|2,0,0]=4 2344 B7R0.10 COC(C)C(=O)NN MCULE-7263059210 [0,1,1,0,0,0|2,0,0]=4 2345 B7R0.10 CON(C)C(=O)CBr MCULE-2482429241 [0,1,1,0,0,0|1,0,0]=3 2346 B7R0.10 CON(C)C(=O)CCl MCULE-1502732282 [0,1,1,0,0,0|1,0,0]=3 2347 B7R0.10 CON(C)C(=O)CF MCULE-9037247053 [0,1,1,0,0,0|1,0,0]=3 2348 B7R0.10 CON(C)C(=O)CN MCULE-1461344814 [0,1,1,0,0,0|0,0,0]=2 2349 B7R0.10 CON(C)C(=O)CN MCULE-5305104539 [0,1,1,0,0,0|0,0,0]=2 2350 B7R0.11 COCC(C)(C)C=O MCULE-9091298674 [0,1,1,0,0,0|2,0,0]=4 2351 B7R0.13 CC(=O)C(C)(C)CO MCULE-7885820738 [0,1,1,0,0,0|2,0,0]=4 2352 B7R0.13 CC(C)(CBr)C(=O)N MCULE-5685972374 [0,1,1,0,0,0|2,0,0]=4 2353 B7R0.13 CC(C)(CN)C(=O)N MCULE-6885361465 [0,1,1,0,0,0|2,0,0]=4 2354 B7R0.13 CC(C)(CO)C(=O)O MCULE-8700273400 [0,1,1,0,0,0|2,0,0]=4 2355 B7R0.13 CC(N)(CO)C(=O)O MCULE-5973815630 [0,1,1,0,0,0|1,0,0]=3 2356 B7R0.13 CC(N)(CO)C(=O)O MCULE-6877149014 [0,1,1,0,0,0|1,0,0]=3 2357 B7R0.13 CC(N)(CS)C(=O)O MCULE-4669241619 [0,1,1,0,0,0|1,1,0]=4 2358 B7R0.13 CC(N)(CS)C(=O)O MCULE-8539612367 [0,1,1,0,0,0|1,1,0]=4 2359 B7R0.13 CC(O)(CO)C(=O)O MCULE-5566145169 [0,1,1,0,0,0|2,0,0]=4 2360 B7R0.13 CCC(C)(N)C(=O)N MCULE-6399521661 [0,1,1,0,0,0|1,0,0]=3 2361 B7R0.13 CCC(C)(N)C(=O)O MCULE-4944905519 [0,1,1,0,0,0|2,0,0]=4 2362 B7R0.13 CCC(C)(N)C(=O)O MCULE-8684474701 [0,1,1,0,0,0|2,0,0]=4 2363 B7R0.13 CCC(C)(N)C(=O)O MCULE-9925925283 [0,1,1,0,0,0|2,0,0]=4 2364 B7R0.13 CCC(C)(O)C(=O)N MCULE-7082405574 [0,1,1,0,0,0|2,0,0]=4 2365 B7R0.13 CC[C@@](C)(N)C(=O)O MCULE-4076270773 [0,1,1,0,0,0|2,0,0]=4 2366 B7R0.13 CC[C@@](C)(N)C(=O)O MCULE-4696366287 [0,1,1,0,0,0|2,0,0]=4 2367 B7R0.13 CC[C@@](C)(N)C(=O)O MCULE-7243626223 [0,1,1,0,0,0|2,0,0]=4 2368 B7R0.13 CC[C@@](C)(N)C(=O)O MCULE-8928070809 [0,1,1,0,0,0|2,0,0]=4 2369 B7R0.13 CC[C@](C)(N)C(=O)O MCULE-1912860688 [0,1,1,0,0,0|2,0,0]=4 2370 B7R0.13 CC[C@](C)(N)C(=O)O MCULE-3601494140 [0,1,1,0,0,0|2,0,0]=4 2371 B7R0.13 CC[C@](C)(N)C(=O)O MCULE-4886902354 [0,1,1,0,0,0|2,0,0]=4 2372 B7R0.13 CC[C@](C)(N)C(=O)O MCULE-8271138085 [0,1,1,0,0,0|2,0,0]=4 2373 B7R0.13 C[C@@](N)(CO)C(=O)O MCULE-2146963065 [0,1,1,0,0,0|1,0,0]=3 2374 B7R0.13 C[C@@](N)(CO)C(=O)O MCULE-7622447669 [0,1,1,0,0,0|1,0,0]=3 2375 B7R0.13 C[C@@](N)(CS)C(=O)O MCULE-2627761655 [0,1,1,0,0,0|1,1,0]=4 2376 B7R0.13 C[C@@](N)(CS)C(=O)O MCULE-2887268414 [0,1,1,0,0,0|1,1,0]=4 2377 B7R0.13 C[C@@](N)(CS)C(=O)O MCULE-6190318443 [0,1,1,0,0,0|1,1,0]=4 2378 B7R0.13 C[C@@](N)(CS)C(=O)O MCULE-8033021501 [0,1,1,0,0,0|1,1,0]=4 2379 B7R0.13 C[C@](N)(CO)C(=O)O MCULE-2760852916 [0,1,1,0,0,0|1,0,0]=3 2380 B7R0.13 C[C@](N)(CO)C(=O)O MCULE-4734633152 [0,1,1,0,0,0|1,0,0]=3 2381 B7R0.13 C[C@](N)(CS)C(=O)O MCULE-1527310768 [0,1,1,0,0,0|1,1,0]=4 2382 B7R0.13 C[C@](N)(CS)C(=O)O MCULE-4351926054 [0,1,1,0,0,0|1,1,0]=4 2383 B7R0.13 C[C@](N)(CS)C(=O)O MCULE-6261566257 [0,1,1,0,0,0|1,1,0]=4 2384 B7R0.13 C[C@](N)(CS)C(=O)O MCULE-9035242130 [0,1,1,0,0,0|1,1,0]=4 2385 B7R0.13 NCC(F)(F)C(=O)N MCULE-1522301920 [0,1,1,0,0,0|2,0,0]=4 2386 B7R0.13 NCC(F)(F)C(=O)N MCULE-2239490291 [0,1,1,0,0,0|2,0,0]=4 2387 B7R0.13 O=C(O)C(F)(F)CO MCULE-4913704401 [0,1,1,0,0,0|2,0,0]=4 2388 B7R0.14 CC(C)(C)C(=O)CO MCULE-4134803818 [0,1,1,0,0,0|2,0,0]=4 2389 B7R0.14 CC(C)(C)C(=O)NN MCULE-1793011833 [0,1,1,0,0,0|2,0,0]=4 2390 B7R0.14 CC(C)(C)C(=O)NO MCULE-8308717662 [0,1,1,0,0,0|1,0,0]=3 2391 B7R0.14 CC(C)(O)C(=N)NO MCULE-3400813193 [0,1,1,0,0,0|2,0,0]=4 2392 B7R0.14 CC(C)(O)C(=O)NN MCULE-2403937132 [0,1,1,0,0,0|2,0,0]=4 2393 B7R0.14 CC(F)(F)C(=O)NN MCULE-9937394541 [0,1,1,0,0,0|2,0,0]=4 2394 B7R0.14 CNC(=O)C(C)(C)Br MCULE-1950849882 [0,1,1,0,0,0|2,0,0]=4 2395 B7R0.14 CNC(=O)C(C)(C)C MCULE-8496171703 [0,1,1,0,0,0|2,0,0]=4 2396 B7R0.14 CNC(=O)C(C)(C)N MCULE-1321000327 [0,1,1,0,0,0|1,0,0]=3 2397 B7R0.14 CNC(=O)C(C)(C)N MCULE-9072698278 [0,1,1,0,0,0|1,0,0]=3 2398 B7R0.14 COC(=O)C(C)(C)N MCULE-4421106396 [0,1,1,0,0,0|2,0,0]=4 2399 B7R0.14 COC(=O)C(C)(C)N MCULE-5665918426 [0,1,1,0,0,0|2,0,0]=4 2400 B7R0.15 CC(=O)C(CO)CO MCULE-6408384667 [0,1,1,0,0,0|2,0,0]=4 2401 B7R0.15 CCC(CC)C(=O)N MCULE-7337294425 [0,1,1,0,0,0|2,0,0]=4 2402 B7R0.15 CCC(CN)C(=O)O MCULE-3795207054 [0,1,1,0,0,0|2,0,0]=4 2403 B7R0.15 CCC(CN)C(=O)O MCULE-3929048283 [0,1,1,0,0,0|2,0,0]=4 2404 B7R0.15 CCC(CO)C(=O)O MCULE-9435802738 [0,1,1,0,0,0|2,0,0]=4 2405 B7R0.15 CCC(CO)C(=O)[O-] MCULE-4277685135 [0,1,1,0,0,0|2,0,0]=4 2406 B7R0.15 CCC(NC)C(=O)N MCULE-1925914686 [0,1,1,0,0,0|1,0,0]=3 2407 B7R0.15 CCC(NC)C(=O)N MCULE-3283265693 [0,1,1,0,0,0|1,0,0]=3 2408 B7R0.15 CCC(NC)C(=O)O MCULE-4101988968 [0,1,1,0,0,0|2,0,0]=4 2409 B7R0.15 CCC(NC)C(=O)O MCULE-4491873969 [0,1,1,0,0,0|2,0,0]=4 2410 B7R0.15 CCC(NN)C(=O)O MCULE-8823684595 [0,1,1,0,0,0|2,0,0]=4 2411 B7R0.15 CCC(NO)C(=O)O MCULE-1962461048 [0,1,1,0,0,0|2,0,0]=4 2412 B7R0.15 CCC(OC)C(=O)N MCULE-4022181907 [0,1,1,0,0,0|2,0,0]=4 2413 B7R0.15 CC[C@@H](CN)C(=O)O MCULE-3190659348 [0,1,1,0,0,0|2,0,0]=4 2414 B7R0.15 CC[C@@H](CN)C(=O)O MCULE-5613487575 [0,1,1,0,0,0|2,0,0]=4 2415 B7R0.15 CC[C@@H](CN)C(=O)O MCULE-6726398435 [0,1,1,0,0,0|2,0,0]=4 2416 B7R0.15 CC[C@H](CN)C(=O)O MCULE-2222410753 [0,1,1,0,0,0|2,0,0]=4 2417 B7R0.15 CC[C@H](CN)C(=O)O MCULE-3153536523 [0,1,1,0,0,0|2,0,0]=4 2418 B7R0.15 CC[C@H](CO)C(=O)O MCULE-3017159819 [0,1,1,0,0,0|2,0,0]=4 2419 B7R0.15 CC[C@H](NC)C(=O)N MCULE-6927041915 [0,1,1,0,0,0|1,0,0]=3 2420 B7R0.15 CC[C@H](NC)C(=O)N MCULE-8566282898 [0,1,1,0,0,0|1,0,0]=3 2421 B7R0.15 CC[C@H](NC)C(=O)N MCULE-8659413445 [0,1,1,0,0,0|1,0,0]=3 2422 B7R0.15 CC[C@H](NC)C(=O)N MCULE-8863599251 [0,1,1,0,0,0|1,0,0]=3 2423 B7R0.15 CNC(CN)C(=O)N MCULE-4431940195 [0,1,1,0,0,0|1,0,0]=3 2424 B7R0.15 CNC(CO)C(=O)O MCULE-1439435474 [0,1,1,0,0,0|1,0,0]=3 2425 B7R0.15 CNC(CO)C(=O)O MCULE-7611211207 [0,1,1,0,0,0|1,0,0]=3 2426 B7R0.15 CNC(CS)C(=O)O MCULE-4817727684 [0,1,1,0,0,0|1,1,0]=4 2427 B7R0.15 CNC(CS)C(=O)O MCULE-5741984055 [0,1,1,0,0,0|1,1,0]=4 2428 B7R0.15 CN[C@@H](CN)C(=O)O MCULE-3196852022 [0,1,1,0,0,0|2,0,0]=4 2429 B7R0.15 CN[C@@H](CN)C(=O)O MCULE-3690177999 [0,1,1,0,0,0|2,0,0]=4 2430 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-3320307572 [0,1,1,0,0,0|1,0,0]=3 2431 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-5844994620 [0,1,1,0,0,0|1,0,0]=3 2432 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-6293854138 [0,1,1,0,0,0|1,0,0]=3 2433 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-6463850730 [0,1,1,0,0,0|1,0,0]=3 2434 B7R0.15 CN[C@@H](CS)C(=O)O MCULE-3043115433 [0,1,1,0,0,0|1,1,0]=4 2435 B7R0.15 CN[C@@H](CS)C(=O)O MCULE-8814760080 [0,1,1,0,0,0|1,1,0]=4 2436 B7R0.15 CN[C@H](CO)C(=O)O MCULE-1791141182 [0,1,1,0,0,0|1,0,0]=3 2437 B7R0.15 CN[C@H](CO)C(=O)O MCULE-9346314213 [0,1,1,0,0,0|1,0,0]=3 2438 B7R0.15 COC(CN)C(=O)N MCULE-3215392526 [0,1,1,0,0,0|2,0,0]=4 2439 B7R0.15 NC(=O)N(CO)CO MCULE-8654518853 [0,1,1,0,0,0|2,0,0]=4 2440 B7R0.15 NCC(CO)C(=O)O MCULE-5510878508 [0,1,1,0,0,0|1,0,0]=3 2441 B7R0.15 NCC(CO)C(=O)O MCULE-9991285445 [0,1,1,0,0,0|1,0,0]=3 2442 B7R0.15 NC[C@@H](CO)C(=O)O MCULE-4607648703 [0,1,1,0,0,0|1,0,0]=3 2443 B7R0.15 NC[C@@H](CO)C(=O)O MCULE-8943978569 [0,1,1,0,0,0|1,0,0]=3 2444 B7R0.15 NC[C@H](CO)C(=O)O MCULE-8459713640 [0,1,1,0,0,0|1,0,0]=3 2445 B7R0.15 O=C(O)[C@H](CO)NP MCULE-8418001133 [0,1,1,0,0,0|1,0,0]=3 2446 B7R0.16 CC(Br)C(=O)N(C)C MCULE-9562234877 [0,1,1,0,0,0|2,0,0]=4 2447 B7R0.16 CC(C)C(=O)C(=O)O MCULE-9877767821 [0,1,1,0,0,0|2,0,0]=4 2448 B7R0.16 CC(C)C(=O)N(C)C MCULE-7036977402 [0,1,1,0,0,0|2,0,0]=4 2449 B7R0.16 CC(C)C(Br)C(=O)N MCULE-8059032804 [0,1,1,0,0,0|2,0,0]=4 2450 B7R0.16 CC(C)C(N)C(=O)N MCULE-5793065876 [0,1,1,0,0,0|1,0,0]=3 2451 B7R0.16 CC(C)C(N)C(=O)N MCULE-6836215171 [0,1,1,0,0,0|1,0,0]=3 2452 B7R0.16 CC(C)C(N)C(=O)O MCULE-8140660263 [0,1,1,0,0,0|2,0,0]=4 2453 B7R0.16 CC(C)C(N)C(=O)O MCULE-9199801639 [0,1,1,0,0,0|2,0,0]=4 2454 B7R0.16 CC(C)[C@@H](N)C(=O)N MCULE-2330575489 [0,1,1,0,0,0|1,0,0]=3 2455 B7R0.16 CC(C)[C@@H](N)C(=O)N MCULE-2653474443 [0,1,1,0,0,0|1,0,0]=3 2456 B7R0.16 CC(C)[C@@H](N)C(=O)N MCULE-3449326352 [0,1,1,0,0,0|1,0,0]=3 2457 B7R0.16 CC(C)[C@@H](N)C(=O)N MCULE-7409435805 [0,1,1,0,0,0|1,0,0]=3 2458 B7R0.16 CC(C)[C@@H](N)C(=O)O MCULE-1338052740 [0,1,1,0,0,0|2,0,0]=4 2459 B7R0.16 CC(C)[C@@H](N)C(=O)O MCULE-2459930572 [0,1,1,0,0,0|2,0,0]=4 2460 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-1415573194 [0,1,1,0,0,0|1,0,0]=3 2461 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-2742126302 [0,1,1,0,0,0|1,0,0]=3 2462 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-3124084676 [0,1,1,0,0,0|1,0,0]=3 2463 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-4854272542 [0,1,1,0,0,0|1,0,0]=3 2464 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-7430998836 [0,1,1,0,0,0|1,0,0]=3 2465 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-9899853579 [0,1,1,0,0,0|1,0,0]=3 2466 B7R0.16 CC(C)[C@H](N)C(=O)O MCULE-2507309072 [0,1,1,0,0,0|2,0,0]=4 2467 B7R0.16 CC(C)[C@H](N)C(=O)O MCULE-9143825935 [0,1,1,0,0,0|2,0,0]=4 2468 B7R0.16 CC(Cl)C(=O)N(C)C MCULE-2811355975 [0,1,1,0,0,0|2,0,0]=4 2469 B7R0.16 CC(F)C(N)C(=O)O MCULE-8810968604 [0,1,1,0,0,0|2,0,0]=4 2470 B7R0.16 CC(N)C(=O)N(C)C MCULE-2791191599 [0,1,1,0,0,0|1,0,0]=3 2471 B7R0.16 CC(N)C(=O)N(C)C MCULE-8778663851 [0,1,1,0,0,0|1,0,0]=3 2472 B7R0.16 CC(O)C(=O)N(C)C MCULE-9214363632 [0,1,1,0,0,0|2,0,0]=4 2473 B7R0.16 CC(O)C(C)C(=O)O MCULE-2499360516 [0,1,1,0,0,0|2,0,0]=4 2474 B7R0.16 CC(O)C(N)C(=O)N MCULE-1234785834 [0,1,1,0,0,0|0,0,0]=2 2475 B7R0.16 CC(O)C(N)C(=O)N MCULE-5867306342 [0,1,1,0,0,0|0,0,0]=2 2476 B7R0.16 CC(O)C(N)C(=O)O MCULE-1563595722 [0,1,1,0,0,0|1,0,0]=3 2477 B7R0.16 CC(O)C(N)C(=O)O MCULE-5581920538 [0,1,1,0,0,0|1,0,0]=3 2478 B7R0.16 C[C@@H](N)C(=O)N(C)C MCULE-1254398788 [0,1,1,0,0,0|1,0,0]=3 2479 B7R0.16 C[C@@H](N)C(=O)N(C)C MCULE-3340919082 [0,1,1,0,0,0|1,0,0]=3 2480 B7R0.16 C[C@@H](N)C(=O)N(C)C MCULE-4089177098 [0,1,1,0,0,0|1,0,0]=3 2481 B7R0.16 C[C@@H](N)C(=O)N(C)C MCULE-8812458791 [0,1,1,0,0,0|1,0,0]=3 2482 B7R0.16 C[C@@H](N)[C@@H](N)C(=O)O MCULE-5302456851 [0,1,1,0,0,0|2,0,0]=4 2483 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-1663687439 [0,1,1,0,0,0|1,0,0]=3 2484 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-3863591433 [0,1,1,0,0,0|1,0,0]=3 2485 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-8080019797 [0,1,1,0,0,0|1,0,0]=3 2486 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-9284411012 [0,1,1,0,0,0|1,0,0]=3 2487 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-1969228933 [0,1,1,0,0,0|0,0,0]=2 2488 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-3285041526 [0,1,1,0,0,0|0,0,0]=2 2489 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-5018319528 [0,1,1,0,0,0|0,0,0]=2 2490 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-6080625355 [0,1,1,0,0,0|0,0,0]=2 2491 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-9393787536 [0,1,1,0,0,0|0,0,0]=2 2492 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-9925689829 [0,1,1,0,0,0|0,0,0]=2 2493 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-2430667007 [0,1,1,0,0,0|1,0,0]=3 2494 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-2676185993 [0,1,1,0,0,0|1,0,0]=3 2495 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-5254477364 [0,1,1,0,0,0|1,0,0]=3 2496 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-5505393195 [0,1,1,0,0,0|1,0,0]=3 2497 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-7379719940 [0,1,1,0,0,0|1,0,0]=3 2498 B7R0.16 C[C@@H](O)[C@H](O)C(=O)O MCULE-9383777855 [0,1,1,0,0,0|2,0,0]=4 2499 B7R0.16 C[C@H](C(=O)O)[C@@H](C)O MCULE-8875933839 [0,1,1,0,0,0|2,0,0]=4 2500 B7R0.16 C[C@H](N)C(=O)N(C)C MCULE-3137207909 [0,1,1,0,0,0|1,0,0]=3 2501 B7R0.16 C[C@H](N)C(=O)N(C)C MCULE-5217565187 [0,1,1,0,0,0|1,0,0]=3 2502 B7R0.16 C[C@H](N)C(=O)N(C)C MCULE-9937914466 [0,1,1,0,0,0|1,0,0]=3 2503 B7R0.16 C[C@H](N)C(=O)N(C)C MCULE-9991929560 [0,1,1,0,0,0|1,0,0]=3 2504 B7R0.16 C[C@H](N)[C@@H](N)C(=O)O MCULE-9507122128 [0,1,1,0,0,0|2,0,0]=4 2505 B7R0.16 C[C@H](N)[C@H](N)C(=O)O MCULE-3178389621 [0,1,1,0,0,0|2,0,0]=4 2506 B7R0.16 C[C@H](O)C(N)C(=O)O MCULE-6661175670 [0,1,1,0,0,0|1,0,0]=3 2507 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-6288272506 [0,1,1,0,0,0|1,0,0]=3 2508 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-7203096302 [0,1,1,0,0,0|1,0,0]=3 2509 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-9531951265 [0,1,1,0,0,0|1,0,0]=3 2510 B7R0.16 C[C@H](O)[C@H](N)C(=O)O MCULE-2246314901 [0,1,1,0,0,0|1,0,0]=3 2511 B7R0.16 C[C@H](O)[C@H](N)C(=O)O MCULE-9478987169 [0,1,1,0,0,0|1,0,0]=3 2512 B7R0.16 NC(=O)C(N)C(=O)N MCULE-5338329205 [0,1,1,0,0,0|0,0,2]=4 2513 B7R0.16 NC(C(=O)O)C(=O)O MCULE-6118746267 [0,1,1,0,0,0|1,0,1]=4 2514 B7R0.1 C=CCCOCCN MCULE-5958891740 [0,1,1,0,0,0|2,0,0]=4 2515 B7R0.1 C=CCOCCCN MCULE-4862923195 [0,1,1,0,0,0|2,0,0]=4 2516 B7R0.1 COCCOCC=O MCULE-2621317944 [0,1,1,0,0,0|2,0,0]=4 2517 B7R0.4 C=CCONC(=O)C MCULE-1401456265 [0,1,1,0,0,0|1,0,1]=4 2518 B7R0.4 CC(=O)NCCCBr MCULE-5421597540 [0,1,1,0,0,0|2,0,0]=4 2519 B7R0.4 CC(=O)NCCCCl MCULE-4056331581 [0,1,1,0,0,0|2,0,0]=4 2520 B7R0.4 CC(=O)NCCCN MCULE-6321543480 [0,1,1,0,0,0|1,0,0]=3 2521 B7R0.4 CC(=O)NCCCN MCULE-8441492497 [0,1,1,0,0,0|1,0,0]=3 2522 B7R0.4 CC(=O)NCCCO MCULE-5627003249 [0,1,1,0,0,0|2,0,0]=4 2523 B7R0.4 CC(=O)NCCON MCULE-3703048482 [0,1,1,0,0,0|2,0,0]=4 2524 B7R0.4 CCCCNC(=O)C MCULE-7266335096 [0,1,1,0,0,0|2,0,0]=4 2525 B7R0.4 CCCCNC(=O)Cl MCULE-2148016012 [0,1,1,0,0,0|2,0,0]=4 2526 B7R0.4 CCCCNC(=O)N MCULE-3263036294 [0,1,1,0,0,0|2,0,0]=4 2527 B7R0.4 CCCOCC(=O)O MCULE-6841640058 [0,1,1,0,0,0|2,0,0]=4 2528 B7R0.4 NC(=O)COCCCl MCULE-1141300697 [0,1,1,0,0,0|2,0,0]=4 2529 B7R0.4 NC(=O)COCCO MCULE-3158372920 [0,1,1,0,0,0|2,0,0]=4 2530 B7R0.4 NC(=O)NCCCO MCULE-3167491311 [0,1,1,0,0,0|2,0,0]=4 2531 B7R0.4 NCCCCC(=O)N MCULE-3198962228 [0,1,1,0,0,0|2,0,0]=4 2532 B7R0.4 NCCCCC(=O)N MCULE-7986221705 [0,1,1,0,0,0|2,0,0]=4 2533 B7R0.4 NCCCCC(=O)O MCULE-1155829905 [0,1,1,0,0,0|2,0,0]=4 2534 B7R0.4 NCCCCC(=O)O MCULE-3920398524 [0,1,1,0,0,0|2,0,0]=4 2535 B7R0.4 NCCCCC(=O)O MCULE-4404796498 [0,1,1,0,0,0|2,0,0]=4 2536 B7R0.4 NCCCCC(=O)O MCULE-4971679857 [0,1,1,0,0,0|2,0,0]=4 2537 B7R0.4 NCCCNC(=O)N MCULE-1109440921 [0,1,1,0,0,0|1,0,0]=3 2538 B7R0.4 NCCCNC(=O)N MCULE-3933221897 [0,1,1,0,0,0|1,0,0]=3 2539 B7R0.4 NCCNCC(=O)O MCULE-9689592343 [0,1,1,0,0,0|2,0,0]=4 2540 B7R0.4 NCCNCC(=O)O MCULE-9795251557 [0,1,1,0,0,0|2,0,0]=4 2541 B7R0.4 NCCOCC(=O)O MCULE-2375694645 [0,1,1,0,0,0|1,0,0]=3 2542 B7R0.4 NCCOCC(=O)O MCULE-5877065986 [0,1,1,0,0,0|1,0,0]=3 2543 B7R0.4 NCCSCC(=O)O MCULE-5565800206 [0,1,1,0,0,0|1,1,0]=4 2544 B7R0.4 NCCSCC(=O)O MCULE-8322098978 [0,1,1,0,0,0|1,1,0]=4 2545 B7R0.4 O=C(Cl)COCCCl MCULE-9707252778 [0,1,1,0,0,0|2,0,0]=4 2546 B7R0.4 O=C(O)COCCBr MCULE-4593325557 [0,1,1,0,0,0|2,0,0]=4 2547 B7R0.4 O=C(O)COCCCl MCULE-2978816248 [0,1,1,0,0,0|2,0,0]=4 2548 B7R0.4 O=C(O)COCCF MCULE-9820799514 [0,1,1,0,0,0|2,0,0]=4 2549 B7R0.4 O=C(O)COCCO MCULE-8297137880 [0,1,1,0,0,0|2,0,0]=4 2550 B7R0.4 O=C([O-])COCCO MCULE-7093344226 [0,1,1,0,0,0|2,0,0]=4 2551 B7R1.1 C1(CCOC1)CN MCULE-1674920995 [1,1,0,0,0,0|1,0,1]=4 2552 B7R1.1 C1(CCOC1)CN MCULE-9715233219 [1,1,0,0,0,0|1,0,1]=4 2553 B7R1.1 C1(CCOC1)NC MCULE-8636753374 [1,1,0,0,0,0|1,0,1]=4 2554 B7R1.1 CNC1CCNC1 MCULE-5544853841 [1,1,0,0,0,0|1,0,1]=4 2555 B7R1.1 CNC1CCNC1 MCULE-9402107922 [1,1,0,0,0,0|1,0,1]=4 2556 B7R1.1 CNC1CCOC1 MCULE-5628928593 [1,1,0,0,0,0|1,0,1]=4 2557 B7R1.1 CNC1CCOC1 MCULE-7465078745 [1,1,0,0,0,0|1,0,1]=4 2558 B7R1.1 CNC1CCOC1 MCULE-8928979869 [1,1,0,0,0,0|1,0,1]=4 2559 B7R1.1 CN[C@@H]1CCNC1 MCULE-1090651309 [1,1,0,0,0,0|1,0,1]=4 2560 B7R1.1 CN[C@@H]1CCNC1 MCULE-6088625234 [1,1,0,0,0,0|1,0,1]=4 2561 B7R1.1 CN[C@@H]1CCNC1 MCULE-8530771803 [1,1,0,0,0,0|1,0,1]=4 2562 B7R1.1 CN[C@@H]1CCNC1 MCULE-9769572717 [1,1,0,0,0,0|1,0,1]=4 2563 B7R1.1 CN[C@@H]1CCOC1 MCULE-2275496757 [1,1,0,0,0,0|1,0,1]=4 2564 B7R1.1 CN[C@@H]1CCOC1 MCULE-4479731635 [1,1,0,0,0,0|1,0,1]=4 2565 B7R1.1 CN[C@@H]1CCOC1 MCULE-4936509842 [1,1,0,0,0,0|1,0,1]=4 2566 B7R1.1 CN[C@@H]1CCOC1 MCULE-7543653230 [1,1,0,0,0,0|1,0,1]=4 2567 B7R1.1 CN[C@H]1CCNC1 MCULE-3142856248 [1,1,0,0,0,0|1,0,1]=4 2568 B7R1.1 CN[C@H]1CCNC1 MCULE-7615640017 [1,1,0,0,0,0|1,0,1]=4 2569 B7R1.1 CN[C@H]1CCNC1 MCULE-9192229718 [1,1,0,0,0,0|1,0,1]=4 2570 B7R1.1 CN[C@H]1CCOC1 MCULE-3884907072 [1,1,0,0,0,0|1,0,1]=4 2571 B7R1.1 CN[C@H]1CCOC1 MCULE-5671082057 [1,1,0,0,0,0|1,0,1]=4 2572 B7R1.1 CN[C@H]1CCOC1 MCULE-7223789451 [1,1,0,0,0,0|1,0,1]=4 2573 B7R1.1 CN[C@H]1CCOC1 MCULE-7903690510 [1,1,0,0,0,0|1,0,1]=4 2574 B7R1.1 COC1CNOC1 MCULE-1407072401 [1,1,0,0,0,0|1,0,1]=4 2575 B7R1.1 COC1CNOC1 MCULE-3670243548 [1,1,0,0,0,0|1,0,1]=4 2576 B7R1.1 ClCC1=NOCC1 MCULE-8714304275 [1,1,0,0,0,0|1,0,1]=4 2577 B7R1.1 N#CC1=NOCC1 MCULE-6070275701 [1,1,0,0,0,0|1,0,1]=4 2578 B7R1.1 NCC1C=CCC1 MCULE-5829076156 [1,1,0,0,0,0|2,0,0]=4 2579 B7R1.1 NCC1C=CCC1 MCULE-8381701177 [1,1,0,0,0,0|2,0,0]=4 2580 B7R1.1 NCC1CCNC1 MCULE-1458513231 [1,1,0,0,0,0|1,0,1]=4 2581 B7R1.1 NCC1CCNC1 MCULE-3817893631 [1,1,0,0,0,0|1,0,1]=4 2582 B7R1.1 NCC1CCOC1 MCULE-4208746127 [1,1,0,0,0,0|1,0,1]=4 2583 B7R1.1 NCC1CCOC1 MCULE-6540410947 [1,1,0,0,0,0|1,0,1]=4 2584 B7R1.1 NCC1COCO1 MCULE-1657884847 [1,1,0,0,0,0|2,0,0]=4 2585 B7R1.1 NCC1COCO1 MCULE-9310217083 [1,1,0,0,0,0|2,0,0]=4 2586 B7R1.1 NC[C@@H]1CCOC1 MCULE-2941934022 [1,1,0,0,0,0|1,0,1]=4 2587 B7R1.1 NC[C@@H]1CCOC1 MCULE-2981279377 [1,1,0,0,0,0|1,0,1]=4 2588 B7R1.1 NC[C@@H]1CCOC1 MCULE-6671508282 [1,1,0,0,0,0|1,0,1]=4 2589 B7R1.1 NC[C@@H]1CCOC1 MCULE-7170580817 [1,1,0,0,0,0|1,0,1]=4 2590 B7R1.1 NC[C@H]1CCOC1 MCULE-1537228220 [1,1,0,0,0,0|1,0,1]=4 2591 B7R1.1 NC[C@H]1CCOC1 MCULE-2673094483 [1,1,0,0,0,0|1,0,1]=4 2592 B7R1.1 NC[C@H]1CCOC1 MCULE-4873739830 [1,1,0,0,0,0|1,0,1]=4 2593 B7R1.1 NC[C@H]1CCOC1 MCULE-6059527282 [1,1,0,0,0,0|1,0,1]=4 2594 B7R1.1 NNC1CCNC1 MCULE-2142578337 [1,1,0,0,0,0|1,0,1]=4 2595 B7R1.1 NNC1CCNC1 MCULE-9229134321 [1,1,0,0,0,0|1,0,1]=4 2596 B7R1.1 NNC1CCOC1 MCULE-5497635104 [1,1,0,0,0,0|1,0,1]=4 2597 B7R1.1 NNC1CCOC1 MCULE-9086625827 [1,1,0,0,0,0|1,0,1]=4 2598 B7R1.1 NNC1CCOC1 MCULE-9696991785 [1,1,0,0,0,0|1,0,1]=4 2599 B7R1.1 NN[C@@H]1CCOC1 MCULE-5277138269 [1,1,0,0,0,0|1,0,1]=4 2600 B7R1.1 NN[C@@H]1CCOC1 MCULE-5921785384 [1,1,0,0,0,0|1,0,1]=4 2601 B7R1.1 NN[C@@H]1CCOC1 MCULE-7398479477 [1,1,0,0,0,0|1,0,1]=4 2602 B7R1.1 NN[C@@H]1CCOC1 MCULE-9971593238 [1,1,0,0,0,0|1,0,1]=4 2603 B7R1.1 NN[C@H]1CCOC1 MCULE-2032105408 [1,1,0,0,0,0|1,0,1]=4 2604 B7R1.1 NN[C@H]1CCOC1 MCULE-4857620237 [1,1,0,0,0,0|1,0,1]=4 2605 B7R1.1 NN[C@H]1CCOC1 MCULE-5796183363 [1,1,0,0,0,0|1,0,1]=4 2606 B7R1.1 NN[C@H]1CCOC1 MCULE-8921088992 [1,1,0,0,0,0|1,0,1]=4 2607 B7R1.1 NOC1CCOC1 MCULE-1016688849 [1,1,0,0,0,0|1,0,1]=4 2608 B7R1.1 O/N=C/1\CCCN1 MCULE-9494233692 [1,1,0,0,0,0|1,0,1]=4 2609 B7R1.1 O=CC1=CCCC1 MCULE-2270030217 [1,1,0,0,0,0|2,0,0]=4 2610 B7R1.1 O=CC1CCOC1 MCULE-9515567606 [1,1,0,0,0,0|1,0,1]=4 2611 B7R1.1 O=C[C@@H]1CCOC1 MCULE-5181257964 [1,1,0,0,0,0|1,0,1]=4 2612 B7R1.1 O=C[C@H]1CCOC1 MCULE-4532427366 [1,1,0,0,0,0|1,0,1]=4 2613 B7R1.1 OCC1CCON1 MCULE-1199975481 [1,1,0,0,0,0|0,0,2]=4 2614 B7R1.1 OCC1CCON1 MCULE-4772487016 [1,1,0,0,0,0|0,0,2]=4 2615 B7R1.2 C1(CCN(C1)C)N MCULE-3665102712 [1,1,0,0,0,0|1,0,1]=4 2616 B7R1.2 C1(CNC(=O)C1)N MCULE-6663942203 [1,1,0,0,0,0|1,0,0]=3 2617 B7R1.2 C1(CNC(=O)C1)N MCULE-7862049809 [1,1,0,0,0,0|1,0,0]=3 2618 B7R1.2 C1(CNC(=O)C1)O MCULE-5557473335 [1,1,0,0,0,0|1,0,0]=3 2619 B7R1.2 C1(COC(=O)N1)C MCULE-2821940224 [1,1,0,0,0,0|2,0,0]=4 2620 B7R1.2 C=C1CCC(=O)O1 MCULE-2485348963 [1,1,0,0,0,0|2,0,0]=4 2621 B7R1.2 CC1=CC(=O)CC1 MCULE-5496838191 [1,1,0,0,0,0|2,0,0]=4 2622 B7R1.2 CC1=CC(=O)NO1 MCULE-4569959155 [1,1,0,0,0,0|0,0,2]=4 2623 B7R1.2 CC1=NNC(=O)C1 MCULE-2406140611 [1,1,0,0,0,0|1,0,1]=4 2624 B7R1.2 CC1CC(=NO1)N MCULE-8353889650 [1,1,0,0,0,0|1,0,1]=4 2625 B7R1.2 CC1CC(=O)CO1 MCULE-7022597277 [1,1,0,0,0,0|1,0,0]=3 2626 B7R1.2 CC1CC(=O)CS1 MCULE-7518365363 [1,1,0,0,0,0|1,1,0]=4 2627 B7R1.2 CC1CC(=O)NN1 MCULE-2056748401 [1,1,0,0,0,0|1,0,0]=3 2628 B7R1.2 CC1CC(=O)NN1 MCULE-8107476665 [1,1,0,0,0,0|1,0,0]=3 2629 B7R1.2 CC1CC(CO1)N MCULE-5031195609 [1,1,0,0,0,0|1,0,1]=4 2630 B7R1.2 CC1CC(CO1)N MCULE-6627149239 [1,1,0,0,0,0|1,0,1]=4 2631 B7R1.2 CC1CCC(=O)C1 MCULE-6716533429 [1,1,0,0,0,0|2,0,0]=4 2632 B7R1.2 CC1CCC(=O)N1 MCULE-8928464449 [1,1,0,0,0,0|1,0,0]=3 2633 B7R1.2 CC1CCC(=O)N1 MCULE-9236321365 [1,1,0,0,0,0|1,0,0]=3 2634 B7R1.2 CC1CCC(=O)O1 MCULE-3014789527 [1,1,0,0,0,0|2,0,0]=4 2635 B7R1.2 CC1CNC(=O)C1 MCULE-7180589009 [1,1,0,0,0,0|1,0,0]=3 2636 B7R1.2 CC1CNC(=O)N1 MCULE-3789430210 [1,1,0,0,0,0|2,0,0]=4 2637 B7R1.2 CC1CNC(=O)O1 MCULE-1288358267 [1,1,0,0,0,0|2,0,0]=4 2638 B7R1.2 CC1COC(=O)C1 MCULE-7226555218 [1,1,0,0,0,0|2,0,0]=4 2639 B7R1.2 CC1COC(=O)N1 MCULE-5787960105 [1,1,0,0,0,0|2,0,0]=4 2640 B7R1.2 CC1NCC(=O)N1 MCULE-9790180398 [1,1,0,0,0,0|2,0,0]=4 2641 B7R1.2 CN1CCC(=O)C1 MCULE-4017029823 [1,1,0,0,0,0|2,0,0]=4 2642 B7R1.2 CN1CCC(=O)C1 MCULE-8684002131 [1,1,0,0,0,0|2,0,0]=4 2643 B7R1.2 CN1CCC(C1)N MCULE-1293214424 [1,1,0,0,0,0|1,0,1]=4 2644 B7R1.2 CN1CCC(C1)N MCULE-1923071969 [1,1,0,0,0,0|1,0,1]=4 2645 B7R1.2 CN1CCC(C1)N MCULE-8906644208 [1,1,0,0,0,0|1,0,1]=4 2646 B7R1.2 CN1CC[C@@H](C1)N MCULE-2789588017 [1,1,0,0,0,0|1,0,1]=4 2647 B7R1.2 CN1CC[C@@H](C1)N MCULE-3064746432 [1,1,0,0,0,0|1,0,1]=4 2648 B7R1.2 CN1CC[C@@H](C1)N MCULE-3417580502 [1,1,0,0,0,0|1,0,1]=4 2649 B7R1.2 CN1CC[C@@H](C1)N MCULE-4507441839 [1,1,0,0,0,0|1,0,1]=4 2650 B7R1.2 CN1CC[C@@H](C1)N MCULE-7304925156 [1,1,0,0,0,0|1,0,1]=4 2651 B7R1.2 CN1CC[C@@H](C1)N MCULE-8752975101 [1,1,0,0,0,0|1,0,1]=4 2652 B7R1.2 CN1CC[C@H](C1)N MCULE-1557911450 [1,1,0,0,0,0|1,0,1]=4 2653 B7R1.2 CN1CC[C@H](C1)N MCULE-2070741351 [1,1,0,0,0,0|1,0,1]=4 2654 B7R1.2 CN1CC[C@H](C1)N MCULE-4287469497 [1,1,0,0,0,0|1,0,1]=4 2655 B7R1.2 CN1CC[C@H](C1)N MCULE-6191225667 [1,1,0,0,0,0|1,0,1]=4 2656 B7R1.2 CN1CC[C@H](C1)N MCULE-7699833473 [1,1,0,0,0,0|1,0,1]=4 2657 B7R1.2 CN1CC[C@H](C1)N MCULE-8419212613 [1,1,0,0,0,0|1,0,1]=4 2658 B7R1.2 C[C@@H]1CC(=O)CN1 MCULE-1621276410 [1,1,0,0,0,0|2,0,0]=4 2659 B7R1.2 C[C@@H]1CC(=O)CN1 MCULE-8721208019 [1,1,0,0,0,0|2,0,0]=4 2660 B7R1.2 C[C@@H]1CCC(=O)N1 MCULE-2915942259 [1,1,0,0,0,0|1,0,0]=3 2661 B7R1.2 C[C@@H]1CCC(=O)N1 MCULE-8123247569 [1,1,0,0,0,0|1,0,0]=3 2662 B7R1.2 C[C@@H]1CCC(=O)O1 MCULE-5934008113 [1,1,0,0,0,0|2,0,0]=4 2663 B7R1.2 C[C@@H]1CNC(=O)C1 MCULE-2439559922 [1,1,0,0,0,0|1,0,0]=3 2664 B7R1.2 C[C@@H]1CNC(=O)C1 MCULE-7246323100 [1,1,0,0,0,0|1,0,0]=3 2665 B7R1.2 C[C@@H]1CNC(=O)O1 MCULE-8336717940 [1,1,0,0,0,0|2,0,0]=4 2666 B7R1.2 C[C@@H]1CNC(=O)O1 MCULE-9661080313 [1,1,0,0,0,0|2,0,0]=4 2667 B7R1.2 C[C@@H]1COC(=O)C1 MCULE-1121808555 [1,1,0,0,0,0|2,0,0]=4 2668 B7R1.2 C[C@@H]1COC(=O)C1 MCULE-1627827491 [1,1,0,0,0,0|2,0,0]=4 2669 B7R1.2 C[C@@H]1COC(=O)N1 MCULE-2439588002 [1,1,0,0,0,0|2,0,0]=4 2670 B7R1.2 C[C@@H]1COC(=O)N1 MCULE-5329850427 [1,1,0,0,0,0|2,0,0]=4 2671 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-3272300487 [1,1,0,0,0,0|2,0,0]=4 2672 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-4583858198 [1,1,0,0,0,0|2,0,0]=4 2673 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-5135895304 [1,1,0,0,0,0|2,0,0]=4 2674 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-6058896534 [1,1,0,0,0,0|2,0,0]=4 2675 B7R1.2 C[C@H]1CCC(=O)C1 MCULE-7319626625 [1,1,0,0,0,0|2,0,0]=4 2676 B7R1.2 C[C@H]1CCC(=O)N1 MCULE-2618122031 [1,1,0,0,0,0|1,0,0]=3 2677 B7R1.2 C[C@H]1CCC(=O)N1 MCULE-6630066118 [1,1,0,0,0,0|1,0,0]=3 2678 B7R1.2 C[C@H]1CCC(=O)O1 MCULE-5274272771 [1,1,0,0,0,0|2,0,0]=4 2679 B7R1.2 C[C@H]1CNC(=O)C1 MCULE-3395896178 [1,1,0,0,0,0|1,0,0]=3 2680 B7R1.2 C[C@H]1CNC(=O)C1 MCULE-8492971593 [1,1,0,0,0,0|1,0,0]=3 2681 B7R1.2 C[C@H]1COC(=O)C1 MCULE-6050720348 [1,1,0,0,0,0|2,0,0]=4 2682 B7R1.2 C[C@H]1COC(=O)N1 MCULE-7240884474 [1,1,0,0,0,0|2,0,0]=4 2683 B7R1.2 C[C@H]1COC(=O)N1 MCULE-7811823319 [1,1,0,0,0,0|2,0,0]=4 2684 B7R1.2 N=C1CSC(=O)N1 MCULE-9647262906 [1,1,0,0,0,0|2,0,0]=4 2685 B7R1.2 NC1=CC(=O)CC1 MCULE-9465243079 [1,1,0,0,0,0|2,0,0]=4 2686 B7R1.2 NC1=NCC(=O)N1 MCULE-7816305365 [1,1,0,0,0,0|2,0,0]=4 2687 B7R1.2 NC1=NCC(=O)N1 MCULE-9546104284 [1,1,0,0,0,0|2,0,0]=4 2688 B7R1.2 NC1=NNC(=O)C1 MCULE-1000997494 [1,1,0,0,0,0|1,0,1]=4 2689 B7R1.2 NC1C=CC(C1)O MCULE-1250487700 [1,1,0,0,0,0|2,0,0]=4 2690 B7R1.2 NC1CCC(=O)C1 MCULE-5102535286 [1,1,0,0,0,0|2,0,0]=4 2691 B7R1.2 NC1CCC(=O)C1 MCULE-7722818264 [1,1,0,0,0,0|2,0,0]=4 2692 B7R1.2 NC1CCC(=O)N1 MCULE-1843033026 [1,1,0,0,0,0|1,0,0]=3 2693 B7R1.2 NC1CCC(=O)N1 MCULE-7671057220 [1,1,0,0,0,0|1,0,0]=3 2694 B7R1.2 NC1CNC(=O)C1 MCULE-1690074091 [1,1,0,0,0,0|1,0,0]=3 2695 B7R1.2 NC1CNC(=O)C1 MCULE-2563813057 [1,1,0,0,0,0|1,0,0]=3 2696 B7R1.2 NC1CNC(=O)C1 MCULE-5332234739 [1,1,0,0,0,0|1,0,0]=3 2697 B7R1.2 NC1CNC(=O)C1 MCULE-9955937074 [1,1,0,0,0,0|1,0,0]=3 2698 B7R1.2 NC1COC(=O)C1 MCULE-1027386953 [1,1,0,0,0,0|1,0,1]=4 2699 B7R1.2 NC1COC(=O)C1 MCULE-1493825051 [1,1,0,0,0,0|1,0,1]=4 2700 B7R1.2 NC1COC(=O)C1 MCULE-3118610284 [1,1,0,0,0,0|1,0,1]=4 2701 B7R1.2 NC1COC(=O)C1 MCULE-8194840985 [1,1,0,0,0,0|1,0,1]=4 2702 B7R1.2 NC1NC(=O)CS1 MCULE-5789159592 [1,1,0,0,0,0|2,0,0]=4 2703 B7R1.2 N[C@@H]1C=C[C@@H](C1)O MCULE-3439280280 [1,1,0,0,0,0|2,0,0]=4 2704 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-1502944618 [1,1,0,0,0,0|1,0,0]=3 2705 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-2444469131 [1,1,0,0,0,0|1,0,0]=3 2706 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-7277309874 [1,1,0,0,0,0|1,0,0]=3 2707 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-8533160250 [1,1,0,0,0,0|1,0,0]=3 2708 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-2437548952 [1,1,0,0,0,0|1,0,1]=4 2709 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-4215135536 [1,1,0,0,0,0|1,0,1]=4 2710 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-4884145743 [1,1,0,0,0,0|1,0,1]=4 2711 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-9276068415 [1,1,0,0,0,0|1,0,1]=4 2712 B7R1.2 N[C@H]1C=C[C@H](C1)O MCULE-2880951702 [1,1,0,0,0,0|2,0,0]=4 2713 B7R1.2 N[C@H]1C=C[C@H](C1)O MCULE-7715311088 [1,1,0,0,0,0|2,0,0]=4 2714 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-1884894725 [1,1,0,0,0,0|1,0,0]=3 2715 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-2130809002 [1,1,0,0,0,0|1,0,0]=3 2716 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-3881338264 [1,1,0,0,0,0|1,0,0]=3 2717 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-4324375667 [1,1,0,0,0,0|1,0,0]=3 2718 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-5900761307 [1,1,0,0,0,0|1,0,0]=3 2719 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-6007209179 [1,1,0,0,0,0|1,0,0]=3 2720 B7R1.2 N[C@H]1COC(=O)C1 MCULE-2936782126 [1,1,0,0,0,0|1,0,1]=4 2721 B7R1.2 N[C@H]1COC(=O)C1 MCULE-4255876921 [1,1,0,0,0,0|1,0,1]=4 2722 B7R1.2 N[C@H]1COC(=O)C1 MCULE-5377151477 [1,1,0,0,0,0|1,0,1]=4 2723 B7R1.2 N[C@H]1COC(=O)C1 MCULE-6406960509 [1,1,0,0,0,0|1,0,1]=4 2724 B7R1.2 O=C1C=C(CC1)Br MCULE-8421005141 [1,1,0,0,0,0|2,0,0]=4 2725 B7R1.2 O=C1C=C(CC1)Cl MCULE-4481059890 [1,1,0,0,0,0|2,0,0]=4 2726 B7R1.2 O=C1C=C(CC1)I MCULE-9887353763 [1,1,0,0,0,0|2,0,0]=4 2727 B7R1.2 O=C1C=C(CC1)O MCULE-4815747510 [1,1,0,0,0,0|2,0,0]=4 2728 B7R1.2 O=C1C=CC(C1)O MCULE-6464451546 [1,1,0,0,0,0|2,0,0]=4 2729 B7R1.2 O=C1C=C[C@@H](C1)O MCULE-4535052390 [1,1,0,0,0,0|2,0,0]=4 2730 B7R1.2 O=C1C=C[C@H](C1)O MCULE-9347047598 [1,1,0,0,0,0|2,0,0]=4 2731 B7R1.2 O=C1CC(=O)NN1 MCULE-4591056937 [1,1,0,0,0,0|1,0,1]=4 2732 B7R1.2 O=C1CC(CN1)O MCULE-8498039777 [1,1,0,0,0,0|1,0,0]=3 2733 B7R1.2 O=C1CC(CN1)S MCULE-3257609096 [1,1,0,0,0,0|1,0,0]=3 2734 B7R1.2 O=C1CC(CO1)O MCULE-3779919332 [1,1,0,0,0,0|2,0,0]=4 2735 B7R1.2 O=C1CC(CO1)O MCULE-5609071664 [1,1,0,0,0,0|2,0,0]=4 2736 B7R1.2 O=C1CCC(=O)C1 MCULE-6436831689 [1,1,0,0,0,0|2,0,0]=4 2737 B7R1.2 O=C1CCC(=O)N1 MCULE-8278049979 [1,1,0,0,0,0|1,0,0]=3 2738 B7R1.2 O=C1CCC(=O)O1 MCULE-1458819618 [1,1,0,0,0,0|2,0,0]=4 2739 B7R1.2 O=C1CCC(C1)F MCULE-9585894610 [1,1,0,0,0,0|2,0,0]=4 2740 B7R1.2 O=C1CCC(C1)I MCULE-5558007377 [1,1,0,0,0,0|2,0,0]=4 2741 B7R1.2 O=C1CCC(C1)O MCULE-8500536547 [1,1,0,0,0,0|2,0,0]=4 2742 B7R1.2 O=C1CCC(N1)O MCULE-1790956080 [1,1,0,0,0,0|1,0,0]=3 2743 B7R1.2 O=C1CCC(O1)F MCULE-6874239017 [1,1,0,0,0,0|2,0,0]=4 2744 B7R1.2 O=C1CCC(O1)O MCULE-5296344468 [1,1,0,0,0,0|2,0,0]=4 2745 B7R1.2 O=C1CNC(=O)C1 MCULE-6981924013 [1,1,0,0,0,0|1,0,1]=4 2746 B7R1.2 O=C1CNC(=O)N1 MCULE-6812812243 [1,1,0,0,0,0|2,0,0]=4 2747 B7R1.2 O=C1CNC(=S)N1 MCULE-3766479597 [1,1,0,0,0,0|2,0,0]=4 2748 B7R1.2 O=C1COC(=O)C1 MCULE-3258090872 [1,1,0,0,0,0|1,0,1]=4 2749 B7R1.2 O=C1COC(=O)N1 MCULE-3103815953 [1,1,0,0,0,0|2,0,0]=4 2750 B7R1.2 O=C1CSC(=O)N1 MCULE-8206580994 [1,1,0,0,0,0|2,0,0]=4 2751 B7R1.2 O=C1CSC(=S)N1 MCULE-8840169234 [1,1,0,0,0,0|2,0,0]=4 2752 B7R1.2 O=C1C[C@@H](CN1)O MCULE-2016792324 [1,1,0,0,0,0|1,0,0]=3 2753 B7R1.2 O=C1C[C@@H](CN1)O MCULE-9756194758 [1,1,0,0,0,0|1,0,0]=3 2754 B7R1.2 O=C1C[C@@H](CO1)O MCULE-1467506377 [1,1,0,0,0,0|2,0,0]=4 2755 B7R1.2 O=C1C[C@@H](CO1)O MCULE-3668466479 [1,1,0,0,0,0|2,0,0]=4 2756 B7R1.2 O=C1C[C@H](CN1)O MCULE-2017150152 [1,1,0,0,0,0|1,0,0]=3 2757 B7R1.2 O=C1C[C@H](CN1)O MCULE-5168961542 [1,1,0,0,0,0|1,0,0]=3 2758 B7R1.2 O=C1C[C@H](CN1)S MCULE-6980612759 [1,1,0,0,0,0|1,0,0]=3 2759 B7R1.2 O=C1C[C@H](CN1)S MCULE-7205538285 [1,1,0,0,0,0|1,0,0]=3 2760 B7R1.2 O=C1C[C@H](CO1)O MCULE-5756899897 [1,1,0,0,0,0|2,0,0]=4 2761 B7R1.2 O=C1C[C@H](CO1)O MCULE-6247095672 [1,1,0,0,0,0|2,0,0]=4 2762 B7R1.2 O=C1NC(=S)CS1 MCULE-8601205978 [1,1,0,0,0,0|2,0,0]=4 2763 B7R1.2 O=C1NCC(=S)N1 MCULE-9753398150 [1,1,0,0,0,0|2,0,0]=4 2764 B7R1.2 O=C1NOC(=O)N1 MCULE-5599103299 [1,1,0,0,0,0|1,0,1]=4 2765 B7R1.2 S=C1CCC(=S)N1 MCULE-1793012495 [1,1,0,0,0,0|1,1,0]=4 2766 B7R1.2 [C@H]1(CCC(=O)C1)C MCULE-3827565169 [1,1,0,0,0,0|2,0,0]=4 2767 B7R1.14 CC1(CCNC1)N MCULE-9317786482 [1,1,0,0,0,0|1,0,1]=4 2768 B7R1.14 CC1(CCNC1)N MCULE-9638120938 [1,1,0,0,0,0|1,0,1]=4 2769 B7R1.14 CC1(CCOC1)N MCULE-1997756007 [1,1,0,0,0,0|1,0,1]=4 2770 B7R1.14 CC1(CCOC1)N MCULE-5807249895 [1,1,0,0,0,0|1,0,1]=4 2771 B7R1.14 C[C@@]1(CCNC1)N MCULE-3652011553 [1,1,0,0,0,0|1,0,1]=4 2772 B7R1.14 C[C@@]1(CNOC1)O MCULE-2135476163 [1,1,0,0,0,0|1,0,1]=4 2773 B7R1.14 C[C@@]1(CNOC1)O MCULE-2596956621 [1,1,0,0,0,0|1,0,1]=4 2774 B7R1.14 C[C@@]1(CNOC1)O MCULE-6080745149 [1,1,0,0,0,0|1,0,1]=4 2775 B7R1.14 C[C@@]1(CNOC1)O MCULE-7091595110 [1,1,0,0,0,0|1,0,1]=4 2776 B7R1.14 C[C@]1(CNOC1)O MCULE-1405004782 [1,1,0,0,0,0|1,0,1]=4 2777 B7R1.14 C[C@]1(CNOC1)O MCULE-4558122242 [1,1,0,0,0,0|1,0,1]=4 2778 B7R1.14 FC1(CNOC1)F MCULE-3109048059 [1,1,0,0,0,0|1,0,1]=4 2779 B7R1.14 FC1(CNOC1)F MCULE-9610114974 [1,1,0,0,0,0|1,0,1]=4 2780 B7R1.14 O=S1(=O)CCCN1 MCULE-8201546192 [1,1,0,0,0,0|2,0,0]=4 2781 B7R1.8 CCC1CCC1=O MCULE-5109615435 [0,1,0,0,1,0|2,0,0]=4 2782 B7R1.8 COC1CCC1=O MCULE-6511996246 [0,1,0,0,1,0|2,0,0]=4 2783 B7R1.8 CSC1CCC1=O MCULE-3892720319 [0,1,0,0,1,0|2,0,0]=4 2784 B7R1.8 N#CC1CCC1=O MCULE-3371494435 [0,1,0,0,1,0|1,0,1]=4 2785 B7R1.8 O=C1CCC1CO MCULE-5501600764 [0,1,0,0,1,0|2,0,0]=4 2786 B7R1.8 O=C1CC[C@@H]1CO MCULE-9840363539 [0,1,0,0,1,0|2,0,0]=4 2787 B7R1.15 CC1CC(=O)C1C MCULE-1068922218 [0,1,0,0,1,0|2,0,0]=4 2788 B7R1.15 C[C@@H]1NC(=O)[C@H]1N MCULE-2032555036 [0,1,0,0,1,0|0,0,0]=2 2789 B7R1.15 C[C@@H]1NC(=O)[C@H]1N MCULE-2738127555 [0,1,0,0,1,0|0,0,0]=2 2790 B7R1.15 C[C@@H]1NC(=O)[C@H]1N MCULE-5044901082 [0,1,0,0,1,0|0,0,0]=2 2791 B7R1.15 C[C@@H]1NC(=O)[C@H]1N MCULE-7632990759 [0,1,0,0,1,0|0,0,0]=2 2792 B7R1.17 CC1(CCC1=O)C MCULE-3723871956 [0,1,0,0,1,0|2,0,0]=4 2793 B7R1.17 CC1(CNC1=O)C MCULE-3476087791 [0,1,0,0,1,0|1,0,0]=3 2794 B7R1.17 CC1(OCC1=O)C MCULE-5758313494 [0,1,0,0,1,0|2,0,0]=4 2795 B7R1.17 CC1(OCC1N)C MCULE-2792085100 [0,1,0,0,1,0|1,0,1]=4 2796 B7R1.17 CC1(OC[C@@H]1N)C MCULE-1806722832 [0,1,0,0,1,0|1,0,1]=4 2797 B7R1.17 CC1CNS1(=O)=O MCULE-9736489046 [0,1,0,0,1,0|2,0,0]=4 2798 B7R1.17 O=C1CCC1(Br)Br MCULE-8976658449 [0,1,0,0,1,0|2,0,0]=4 2799 B7R1.17 O=C1CCC1(F)F MCULE-4827224161 [0,1,0,0,1,0|2,0,0]=4 2800 B9R1.2 CCC1CCNC(=O)C1 MCULE-7827721769 [0,1,0,0,0,1|2,0,0]=4 2801 B9R1.2 CCC1COCC(=O)N1 MCULE-1841359305 [0,1,0,0,0,1|2,0,0]=4 2802 B9R1.2 CC[C@@H]1COCC(=O)N1 MCULE-9098123465 [0,1,0,0,0,1|2,0,0]=4 2803 B9R1.2 N#CC1CCNC(=O)C1 MCULE-8868530643 [0,1,0,0,0,1|1,0,1]=4 2804 B9R1.2 NCC1CCCC(=O)N1 MCULE-2515108436 [0,1,0,0,0,1|2,0,0]=4 2805 B9R1.2 NCC1CCCC(=O)N1 MCULE-2893640240 [0,1,0,0,0,1|2,0,0]=4 2806 B9R1.2 NCC1CCCC(=O)N1 MCULE-4568961930 [0,1,0,0,0,1|2,0,0]=4 2807 B9R1.2 NCC1CCNC(=O)C1 MCULE-8340928139 [0,1,0,0,0,1|1,0,0]=3 2808 B9R1.2 NCC1CCNC(=O)C1 MCULE-9503049309 [0,1,0,0,0,1|1,0,0]=3 2809 B9R1.2 NCC1CCNC(=O)N1 MCULE-7299072097 [0,1,0,0,0,1|1,0,0]=3 2810 B9R1.2 NCC1CCNC(=O)O1 MCULE-4253031438 [0,1,0,0,0,1|1,0,0]=3 2811 B9R1.2 NC[C@H]1CCNC(=O)C1 MCULE-6439919372 [0,1,0,0,0,1|1,0,0]=3 2812 B9R1.2 NC[C@H]1CCNC(=O)C1 MCULE-8074777058 [0,1,0,0,0,1|1,0,0]=3 2813 B9R1.2 O=C1CC(CCN1)CBr MCULE-5514747029 [0,1,0,0,0,1|2,0,0]=4 2814 B9R1.2 O=C1CC(CCN1)CO MCULE-9526076179 [0,1,0,0,0,1|2,0,0]=4 2815 B9R1.2 O=C1COCC(N1)CO MCULE-2108098178 [0,1,0,0,0,1|2,0,0]=4 2816 B9R1.2 O=C1COC[C@@H](N1)CO MCULE-1640734818 [0,1,0,0,0,1|2,0,0]=4 2817 B9R1.2 O=C1COC[C@@H](N1)CO MCULE-6633625871 [0,1,0,0,0,1|2,0,0]=4 2818 B9R1.2 O=C1C[C@H](CCN1)CO MCULE-5682710079 [0,1,0,0,0,1|2,0,0]=4 2819 B9R1.3 CC1CCNC(=O)C1N MCULE-8466322754 [0,1,0,0,0,1|2,0,0]=4 2820 B9R1.3 O=C1NCCC(C1Cl)O MCULE-3547246755 [0,1,0,0,0,1|2,0,0]=4 2821 B9R1.3 O=C1NCC[C@H]([C@@H]1Cl)O MCULE-4122559640 [0,1,0,0,0,1|2,0,0]=4 2822 B9R1.34 CC1CC(=O)NC(=O)N1 MCULE-2066103800 [0,1,0,0,0,1|2,0,0]=4 2823 B9R1.34 NC1CC(=O)NC(=O)C1 MCULE-6382091482 [0,1,0,0,0,1|1,0,0]=3 2824 B9R1.34 NC1CC(=O)NC(=O)C1 MCULE-9933185634 [0,1,0,0,0,1|1,0,0]=3 2825 B9R1.66 CC1(CCNC(=O)C1)C MCULE-5703517542 [0,1,0,0,0,1|2,0,0]=4 2826 B9R1.66 CC1(COCC(=O)C1)C MCULE-9899246450 [0,1,0,0,0,1|2,0,0]=4 2827 B9R1.66 CC1(COCC(=O)N1)C MCULE-4764218630 [0,1,0,0,0,1|2,0,0]=4 2828 B9R1.66 O=C1CC(CCN1)(F)F MCULE-3058421094 [0,1,0,0,0,1|2,0,0]=4 2829 B9R1.66 O=C1CC(CCN1)(F)F MCULE-7491921693 [0,1,0,0,0,1|2,0,0]=4 2830 B9R1.69 CN1CCC(=NC1=O)N MCULE-4517300685 [0,1,0,0,0,1|1,0,1]=4 2831 B9R1.69 CN1CCC(CC1=O)N MCULE-1615743106 [0,1,0,0,0,1|1,0,0]=3 2832 B9R1.69 CN1CCC(CC1=O)N MCULE-3669689846 [0,1,0,0,0,1|1,0,0]=3 2833 B9R1.69 CN1CCC(CC1=O)N MCULE-9029127990 [0,1,0,0,0,1|1,0,0]=3 2834 B9R1.69 CN1CC[C@@H](CC1=O)N MCULE-2173200677 [0,1,0,0,0,1|1,0,0]=3 2835 B9R1.69 CN1CC[C@@H](CC1=O)N MCULE-2636791104 [0,1,0,0,0,1|1,0,0]=3 2836 B9R1.69 CN1CC[C@@H](CC1=O)N MCULE-5158680305 [0,1,0,0,0,1|1,0,0]=3 2837 B9R1.69 CN1CC[C@H](CC1=O)N MCULE-1652984259 [0,1,0,0,0,1|1,0,0]=3 2838 B9R1.69 NC1NC(=O)NC=C1F MCULE-6799586428 [0,1,0,0,0,1|1,0,1]=4 2839 B9R1.15 CCC1CCCNC1=O MCULE-9899311713 [0,1,0,0,0,1|2,0,0]=4 2840 B9R1.15 CCC1CCOCC1=O MCULE-6091403730 [0,1,0,0,0,1|2,0,0]=4 2841 B9R1.15 CCC1COCCC1=O MCULE-8876011937 [0,1,0,0,0,1|2,0,0]=4 2842 B9R1.15 CCC1NCCNC1=O MCULE-2852633323 [0,1,0,0,0,1|2,0,0]=4 2843 B9R1.15 CCC1SCCNC1=O MCULE-4981084970 [0,1,0,0,0,1|2,0,0]=4 2844 B9R1.15 CNC1CCCCC1=O MCULE-4213094446 [0,1,0,0,0,1|2,0,0]=4 2845 B9R1.15 CNC1CCCCC1=O MCULE-6828302325 [0,1,0,0,0,1|2,0,0]=4 2846 B9R1.15 CNC1CCCNC1=O MCULE-5728861814 [0,1,0,0,0,1|1,0,0]=3 2847 B9R1.15 CNC1CCCNC1=O MCULE-6142186918 [0,1,0,0,0,1|1,0,0]=3 2848 B9R1.15 COC1CCCNC1=O MCULE-7453342727 [0,1,0,0,0,1|2,0,0]=4 2849 B9R1.15 COC1COCCC1=O MCULE-1867615078 [0,1,0,0,0,1|2,0,0]=4 2850 B9R1.15 CO[C@@H]1COCCC1=O MCULE-1760263882 [0,1,0,0,0,1|2,0,0]=4 2851 B9R1.15 CO[C@H]1COCCC1=O MCULE-6122311097 [0,1,0,0,0,1|2,0,0]=4 2852 B9R1.15 N#CC1CCNCC1=O MCULE-8079528543 [0,1,0,0,0,1|1,0,1]=4 2853 B9R1.15 N#CC1CCNCC1=O MCULE-9205359249 [0,1,0,0,0,1|1,0,1]=4 2854 B9R1.15 N#CC1COCCC1=O MCULE-9841859012 [0,1,0,0,0,1|1,0,1]=4 2855 B9R1.15 NCC1CCCNC1=O MCULE-3811327759 [0,1,0,0,0,1|1,0,0]=3 2856 B9R1.15 NCC1CCCNC1=O MCULE-7406524376 [0,1,0,0,0,1|1,0,0]=3 2857 B9R1.15 O=C1NCCCC1CO MCULE-3810407789 [0,1,0,0,0,1|2,0,0]=4 2858 B9R1.15 O=C1NCCOC1CO MCULE-4336719695 [0,1,0,0,0,1|2,0,0]=4 2859 B9R1.40 CC1(CCCNC1=O)C MCULE-4245207122 [0,1,0,0,0,1|2,0,0]=4 2860 B9R1.40 CC1(CCCNC1=O)N MCULE-5500513283 [0,1,0,0,0,1|1,0,0]=3 2861 B9R1.40 CC1(CCCNC1=O)N MCULE-5995809623 [0,1,0,0,0,1|1,0,0]=3 2862 B9R1.40 CC1(CCNCC1=O)C MCULE-8773076138 [0,1,0,0,0,1|2,0,0]=4 2863 B9R1.40 CC1(COC=CC1=O)C MCULE-6422133092 [0,1,0,0,0,1|2,0,0]=4 2864 B9R1.40 CC1(COCCC1=O)C MCULE-2901452802 [0,1,0,0,0,1|2,0,0]=4 2865 B9R1.40 CC1(NCCNC1=O)C MCULE-5729807670 [0,1,0,0,0,1|2,0,0]=4 2866 B9R1.40 CC1(SCCNC1=O)C MCULE-8853284892 [0,1,0,0,0,1|2,0,0]=4 2867 B9R1.40 O=C1NCCCC1(Br)Br MCULE-8489547230 [0,1,0,0,0,1|2,0,0]=4 2868 B9R1.40 O=C1NCCCC1(F)F MCULE-9481984803 [0,1,0,0,0,1|2,0,0]=4 2869 B9R1.22 NCC1CC(=O)NC1=O MCULE-4273797051 [0,2,0,0,0,0|1,0,0]=3 2870 B9R1.22 NCC1CC(=O)NC1=O MCULE-5127529700 [0,2,0,0,0,0|1,0,0]=3 2871 B9R1.22 NCC1NC(=O)NC1=O MCULE-3949033042 [0,2,0,0,0,0|2,0,0]=4 2872 B9R1.27 CC1=NNC(=O)C1CN MCULE-1883719546 [0,2,0,0,0,0|1,0,1]=4 2873 B9R1.27 CC1=NNC(=O)C1CN MCULE-7070043099 [0,2,0,0,0,0|1,0,1]=4 2874 B9R1.27 CC1OCC(=O)C1C#N MCULE-9359046236 [0,2,0,0,0,0|1,0,1]=4 2875 B9R1.27 CCC1C(=O)NCC1C MCULE-6984020668 [0,2,0,0,0,0|2,0,0]=4 2876 B9R1.33 CCNC1CCNC1=O MCULE-2074854228 [0,2,0,0,0,0|1,0,0]=3 2877 B9R1.33 CCNC1CCNC1=O MCULE-3586994660 [0,2,0,0,0,0|1,0,0]=3 2878 B9R1.33 COCC1CCNC1=O MCULE-3659365395 [0,2,0,0,0,0|2,0,0]=4 2879 B9R1.33 NCCN1CCNC1=O MCULE-8206548892 [0,2,0,0,0,0|2,0,0]=4 2880 B9R1.33 O=C1NCCC1CCBr MCULE-7843912959 [0,2,0,0,0,0|2,0,0]=4 2881 B9R1.33 O=C1NCCC1CCCl MCULE-7292036119 [0,2,0,0,0,0|2,0,0]=4 2882 B9R1.33 O=C1NCCC1CCO MCULE-4049375641 [0,2,0,0,0,0|2,0,0]=4 2883 B9R1.41 CC(C)C1CCNC1=O MCULE-5673830362 [0,2,0,0,0,0|2,0,0]=4 2884 B9R1.41 CC1CON=C1N(=O)=O MCULE-6641897646 [0,2,0,0,0,0|1,0,1]=4 2885 B9R1.41 CN(C)C1CCNC1=O MCULE-9030611073 [0,2,0,0,0,0|1,0,0]=3 2886 B9R1.41 NC(=O)C1CCCC1=O MCULE-2399127943 [0,2,0,0,0,0|2,0,0]=4 2887 B9R1.41 NC(=O)C1CSCC1=O MCULE-9294547014 [0,2,0,0,0,0|1,1,0]=4 2888 B9R1.41 NC1CCNC1C(=O)O MCULE-3789976956 [0,2,0,0,0,0|1,0,1]=4 2889 B9R1.41 NC1CCNC1C(=O)O MCULE-5356536056 [0,2,0,0,0,0|1,0,1]=4 2890 B9R1.41 NC1COCC1C(=O)O MCULE-7325840275 [0,2,0,0,0,0|1,0,1]=4 2891 B9R1.41 NC1COCC1C(=O)O MCULE-9068897815 [0,2,0,0,0,0|1,0,1]=4 2892 B9R1.41 N[C@@H]1CCN[C@@H]1C(=O)O MCULE-1080605796 [0,2,0,0,0,0|1,0,1]=4 2893 B9R1.41 N[C@@H]1CCN[C@@H]1C(=O)O MCULE-5666272526 [0,2,0,0,0,0|1,0,1]=4 2894 B9R1.41 N[C@@H]1CCN[C@@H]1C(=O)O MCULE-5723263979 [0,2,0,0,0,0|1,0,1]=4 2895 B9R1.41 N[C@@H]1CCN[C@@H]1C(=O)O MCULE-6574312344 [0,2,0,0,0,0|1,0,1]=4 2896 B9R1.41 N[C@@H]1COC[C@@H]1C(=O)O MCULE-9833243208 [0,2,0,0,0,0|1,0,1]=4 2897 B9R1.41 N[C@@H]1COC[C@H]1C(=O)O MCULE-7323429960 [0,2,0,0,0,0|1,0,1]=4 2898 B9R1.41 N[C@H]1COC[C@@H]1C(=O)O MCULE-4396526735 [0,2,0,0,0,0|1,0,1]=4 2899 B9R1.41 N[C@H]1COC[C@@H]1C(=O)O MCULE-9025415433 [0,2,0,0,0,0|1,0,1]=4 2900 B9R1.41 N[C@H]1COC[C@H]1C(=O)O MCULE-2956846972 [0,2,0,0,0,0|1,0,1]=4 2901 B9R1.41 N[C@H]1COC[C@H]1C(=O)O MCULE-3321988270 [0,2,0,0,0,0|1,0,1]=4 2902 B9R1.41 O=C(O)C1CCNC1=O MCULE-3110303122 [0,2,0,0,0,0|2,0,0]=4 2903 B9R1.41 O=C(O)[C@@H]1CCNC1=O MCULE-2092808645 [0,2,0,0,0,0|2,0,0]=4 2904 B9R1.132 CCN1CCC(C1=O)Br MCULE-9719570091 [0,2,0,0,0,0|2,0,0]=4 2905 B9R1.132 CCN1CCC(C1=O)N MCULE-1999772787 [0,2,0,0,0,0|1,0,0]=3 2906 B9R1.132 CCN1CCC(C1=O)N MCULE-9509776424 [0,2,0,0,0,0|1,0,0]=3 2907 B9R1.132 CCN1OCC(C1=O)Br MCULE-8718196879 [0,2,0,0,0,0|1,0,0]=3 2908 B9R1.132 CCN1OCC(C1=O)N MCULE-4385152972 [0,2,0,0,0,0|0,0,0]=2 2909 B9R1.132 CCN1OCC(C1=O)N MCULE-5812509331 [0,2,0,0,0,0|0,0,0]=2 2910 B9R1.132 CCN1OC[C@H](C1=O)N MCULE-7401475648 [0,2,0,0,0,0|0,0,0]=2 2911 B9R1.132 CCN1OC[C@H](C1=O)N MCULE-9638386857 [0,2,0,0,0,0|0,0,0]=2 2912 B9R1.132 CN1CCC(C1=O)CBr MCULE-8667401871 [0,2,0,0,0,0|2,0,0]=4 2913 B9R1.132 CN1CCC(C1=O)CN MCULE-3996325305 [0,2,0,0,0,0|1,0,0]=3 2914 B9R1.132 CN1CCC(C1=O)CN MCULE-9896294945 [0,2,0,0,0,0|1,0,0]=3 2915 B9R1.132 CN1CCC(C1=O)CO MCULE-4783255632 [0,2,0,0,0,0|2,0,0]=4 2916 B9R1.132 CNC1CCN(C1=O)C MCULE-2844752612 [0,2,0,0,0,0|1,0,0]=3 2917 B9R1.132 CNC1CCN(C1=O)C MCULE-8513818149 [0,2,0,0,0,0|1,0,0]=3 2918 B9R1.132 CON1CCC(C1=O)Br MCULE-3657650268 [0,2,0,0,0,0|2,0,0]=4 2919 B9R1.132 CON1CCN(C1=O)N MCULE-1725039629 [0,2,0,0,0,0|2,0,0]=4 2920 B9R1.132 CON1CCN(C1=O)N MCULE-3679154528 [0,2,0,0,0,0|2,0,0]=4 2921 B9R1.132 [C@H]1(CON(C1=O)CC)N MCULE-1369814962 [0,2,0,0,0,0|0,0,0]=2 2922 B9R1.132 [C@H]1(CON(C1=O)CC)N MCULE-8554978843 [0,2,0,0,0,0|0,0,0]=2 2923 B9R1.202 CC1(CCNC1=O)CO MCULE-3034841692 [0,2,0,0,0,0|2,0,0]=4 2924 B9R1.202 CCC1(CCNC1=O)C MCULE-7294526579 [0,2,0,0,0,0|2,0,0]=4 2925 B9R1.36 CC1(CC(C(=O)N1)O)C MCULE-6193972218 [0,2,0,0,0,0|2,0,0]=4 2926 B9R1.36 CC1(CC(C(=O)O1)N)C MCULE-7823096614 [0,2,0,0,0,0|2,0,0]=4 2927 B9R1.36 CC1(CC(C(=O)O1)N)C MCULE-8973330971 [0,2,0,0,0,0|2,0,0]=4 2928 B9R1.36 CC1CC(NC1=O)(C)C MCULE-3640588755 [0,2,0,0,0,0|2,0,0]=4 2929 B9R1.36 NC1CS(=O)(=O)NC1=O MCULE-5308687626 [0,2,0,0,0,0|0,1,0]=3 2930 B9R1.36 NC1CS(=O)(=O)NC1=O MCULE-7250097397 [0,2,0,0,0,0|0,1,0]=3 2931 B9R1.37 CC1C(=O)NC(=O)C1C MCULE-1244228905 [0,2,0,0,0,0|2,0,0]=4 2932 B9R1.37 CC1CN(C(=O)C1N)O MCULE-1541937372 [0,2,0,0,0,0|1,0,0]=3 2933 B9R1.37 CC1CN(C(=O)C1N)O MCULE-3876251131 [0,2,0,0,0,0|1,0,0]=3 2934 B9R1.37 CN1C(=O)CC(C1=O)N MCULE-1881097860 [0,2,0,0,0,0|1,0,0]=3 2935 B9R1.37 CN1C(=O)CC(C1=O)N MCULE-9743249390 [0,2,0,0,0,0|1,0,0]=3 2936 B9R1.37 CN1C(=O)CC(C1=O)O MCULE-4159978894 [0,2,0,0,0,0|2,0,0]=4 2937 B9R1.37 CN1C(=O)C[C@@H](C1=O)N MCULE-4253353358 [0,2,0,0,0,0|1,0,0]=3 2938 B9R1.37 CN1C(=O)C[C@@H](C1=O)N MCULE-8722122900 [0,2,0,0,0,0|1,0,0]=3 2939 B9R1.37 CN1C(=O)C[C@@H](C1=O)O MCULE-4702742954 [0,2,0,0,0,0|2,0,0]=4 2940 B9R1.37 C[C@@H]1CN(C(=O)[C@@H]1N)O MCULE-1789519376 [0,2,0,0,0,0|1,0,0]=3 2941 B9R1.37 C[C@@H]1CN(C(=O)[C@@H]1N)O MCULE-4750685085 [0,2,0,0,0,0|1,0,0]=3 2942 B9R1.37 C[C@@H]1CN(C(=O)[C@@H]1N)O MCULE-7635519729 [0,2,0,0,0,0|1,0,0]=3 2943 B9R1.37 C[C@@H]1CN(C(=O)[C@@H]1N)O MCULE-7984264167 [0,2,0,0,0,0|1,0,0]=3 2944 B9R1.37 C[C@@H]1CN(C(=O)[C@@H]1N)O MCULE-8015807838 [0,2,0,0,0,0|1,0,0]=3 2945 B9R1.37 C[C@@H]1CN(C(=O)[C@@H]1N)O MCULE-8810381823 [0,2,0,0,0,0|1,0,0]=3 2946 B9R1.37 C[C@H]1CN(C(=O)[C@H]1N)O MCULE-6099115683 [0,2,0,0,0,0|1,0,0]=3 2947 B9R1.37 C[C@H]1CN(C(=O)[C@H]1N)O MCULE-6659955179 [0,2,0,0,0,0|1,0,0]=3 2948 B9R1.37 O=C1NC(=O)C(C1Br)Br MCULE-7924949949 [0,2,0,0,0,0|2,0,0]=4 2949 B9R1.38 CC1(CC(=O)NC1=O)Br MCULE-2450694121 [0,2,0,0,0,0|2,0,0]=4 2950 B9R1.38 CC1(CC(=O)NC1=O)C MCULE-3157279987 [0,2,0,0,0,0|2,0,0]=4 2951 B9R1.106 CC1(C(=O)NCC1N)C MCULE-8754705727 [0,2,0,0,0,0|2,0,0]=4 2952 B9R1.106 CC1(C(=O)NC[C@@H]1N)C MCULE-1926232108 [0,2,0,0,0,0|2,0,0]=4 2953 B9R1.106 CC1(C(=O)NC[C@@H]1N)C MCULE-8824415523 [0,2,0,0,0,0|2,0,0]=4 2954 B9R1.106 CC1(C(=O)NC[C@H]1N)C MCULE-2199732058 [0,2,0,0,0,0|2,0,0]=4 2955 B9R1.106 CC1(C(=O)NC[C@H]1N)C MCULE-7384902839 [0,2,0,0,0,0|2,0,0]=4 2956 B9R1.106 O=C1NCC(C1(F)F)O MCULE-2567884183 [0,2,0,0,0,0|2,0,0]=4 2957 B9R1.138 CC1(CNC(=O)C1N)C MCULE-8991613475 [0,2,0,0,0,0|1,0,0]=3 2958 B9R1.138 CC1(CNC(=O)C1O)C MCULE-8013652452 [0,2,0,0,0,0|2,0,0]=4 2959 B9R1.138 CC1(COC(=O)C1=O)C MCULE-2752948754 [0,2,0,0,0,0|2,0,0]=4 2960 B9R1.138 CC1(COC(=O)C1N)C MCULE-1682618419 [0,2,0,0,0,0|2,0,0]=4 2961 B9R1.138 CC1(COC(=O)C1N)C MCULE-3128113500 [0,2,0,0,0,0|2,0,0]=4 2962 B9R1.138 CC1(CSC(=O)C1N)C MCULE-5995445974 [0,2,0,0,0,0|2,0,0]=4 2963 B9R1.138 CC1(CSC(=O)C1N)C MCULE-9718071604 [0,2,0,0,0,0|2,0,0]=4 2964 B7R1.3 O=C1CCCCN1 MCULE-9168245534 [0,0,1,1,0,0|2,0,0]=4 2965 B7R1.3 O=C1CCCNC1 MCULE-2774326662 [0,0,1,1,0,0|2,0,0]=4 2966 B7R1.3 O=C1CCCNC1 MCULE-8149766009 [0,0,1,1,0,0|2,0,0]=4 2967 B7R1.3 O=C1CCCOC1 MCULE-5268404224 [0,0,1,1,0,0|2,0,0]=4 2968 B7R1.3 O=C1CNCCN1 MCULE-5599978871 [0,0,1,1,0,0|1,0,0]=3 2969 B7R1.3 O=C1CNCCO1 MCULE-2634056082 [0,0,1,1,0,0|2,0,0]=4 2970 B7R1.3 O=C1CNCCO1 MCULE-6420255529 [0,0,1,1,0,0|2,0,0]=4 2971 B7R1.3 O=C1COCCN1 MCULE-8242898041 [0,0,1,1,0,0|2,0,0]=4 2972 B7R1.3 O=C1CSCCN1 MCULE-1492056440 [0,0,1,1,0,0|2,0,0]=4 2973 B7R1.6 CON=C1CNC1 MCULE-2691046364 [0,0,1,1,0,0|1,0,1]=4 2974 B7R1.6 CON=C1CNC1 MCULE-6524296055 [0,0,1,1,0,0|1,0,1]=4 2975 B7R1.9 COC1CC1C=O MCULE-8346964880 [0,0,1,1,0,0|2,0,0]=4 2976 B7R1.22 NCC(=O)C1CC1 MCULE-1927654168 [0,0,1,1,0,0|2,0,0]=4 2977 B7R1.22 NCC(=O)C1CC1 MCULE-4415662894 [0,0,1,1,0,0|2,0,0]=4 2978 B7R1.22 O=C(CCl)N1CC1 MCULE-3092013537 [0,0,1,1,0,0|2,0,0]=4 2979 B7R1.25 C=CC1(COC1)N MCULE-1446171155 [0,0,1,1,0,0|2,0,0]=4 2980 B7R1.25 C=CC1(COC1)N MCULE-2444826926 [0,0,1,1,0,0|2,0,0]=4 2981 B7R1.25 CC1(COC1)C=O MCULE-4295634366 [0,0,1,1,0,0|2,0,0]=4 2982 B7R1.12 CC1CC1C(=O)N MCULE-4145079494 [0,0,1,1,0,0|2,0,0]=4 2983 B7R1.12 CC1SC1C(=O)N MCULE-7010314546 [0,0,1,1,0,0|2,0,0]=4 2984 B7R1.12 NC(=O)C1CC1N MCULE-9433325277 [0,0,1,1,0,0|2,0,0]=4 2985 B7R1.12 NC(=O)[C@@H]1C[C@@H]1F MCULE-2857193174 [0,0,1,1,0,0|2,0,0]=4 2986 B7R1.18 C1(CCN1)C(=O)O MCULE-9324355017 [0,0,1,1,0,0|2,0,0]=4 2987 B7R1.18 CC(=O)C1COC1 MCULE-3416774210 [0,0,1,1,0,0|2,0,0]=4 2988 B7R1.18 NC(=O)C1CCC1 MCULE-5151176129 [0,0,1,1,0,0|2,0,0]=4 2989 B7R1.18 NC(=O)C1CCN1 MCULE-1856696035 [0,0,1,1,0,0|1,0,0]=3 2990 B7R1.18 NC(=O)C1CCN1 MCULE-5757704016 [0,0,1,1,0,0|1,0,0]=3 2991 B7R1.18 NC(=O)C1CNC1 MCULE-2319282799 [0,0,1,1,0,0|2,0,0]=4 2992 B7R1.18 NC(=O)C1CNC1 MCULE-4985073048 [0,0,1,1,0,0|2,0,0]=4 2993 B7R1.18 NC(=O)C1CNC1 MCULE-8796959516 [0,0,1,1,0,0|2,0,0]=4 2994 B7R1.18 NC(=O)C1COC1 MCULE-1077689713 [0,0,1,1,0,0|1,0,0]=3 2995 B7R1.18 NC(=O)[C@H]1CCN1 MCULE-7187425143 [0,0,1,1,0,0|1,0,0]=3 2996 B7R1.18 O=C(O)C1CCN1 MCULE-1336085891 [0,0,1,1,0,0|2,0,0]=4 2997 B7R1.18 O=C(O)C1CCN1 MCULE-6501890131 [0,0,1,1,0,0|2,0,0]=4 2998 B7R1.18 O=C(O)C1CCN1 MCULE-7647115314 [0,0,1,1,0,0|2,0,0]=4 2999 B7R1.18 O=C(O)C1COC1 MCULE-2530431165 [0,0,1,1,0,0|2,0,0]=4 3000 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-2126306157 [0,0,1,1,0,0|2,0,0]=4 3001 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-2597576629 [0,0,1,1,0,0|2,0,0]=4 3002 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-6006656004 [0,0,1,1,0,0|2,0,0]=4 3003 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-7241612713 [0,0,1,1,0,0|2,0,0]=4 3004 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-3254184046 [0,0,1,1,0,0|2,0,0]=4 3005 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-5162570273 [0,0,1,1,0,0|2,0,0]=4 3006 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-5488052558 [0,0,1,1,0,0|2,0,0]=4 3007 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-8240936495 [0,0,1,1,0,0|2,0,0]=4 3008 B7R1.19 CC(=O)C1(CC1)N MCULE-2138315633 [0,0,1,1,0,0|2,0,0]=4 3009 B7R1.19 CC(=O)C1(CC1)N MCULE-4094057841 [0,0,1,1,0,0|2,0,0]=4 3010 B7R1.19 CC(=O)C1(CO1)C MCULE-3263824467 [0,0,1,1,0,0|2,0,0]=4 3011 B7R1.19 CC1(CC1)C(=O)N MCULE-7674282751 [0,0,1,1,0,0|2,0,0]=4 3012 B7R1.19 CC1(CO1)C(=O)O MCULE-9344660544 [0,0,1,1,0,0|2,0,0]=4 3013 B7R1.19 CC1(CS1)C(=O)N MCULE-5046393193 [0,0,1,1,0,0|1,1,0]=4 3014 B7R1.19 NC(=O)C1(CC1)Br MCULE-5824122510 [0,0,1,1,0,0|2,0,0]=4 3015 B7R1.19 NC(=O)C1(CC1)N MCULE-3982594366 [0,0,1,1,0,0|1,0,0]=3 3016 B7R1.19 NC(=O)C1(CC1)N MCULE-7935338610 [0,0,1,1,0,0|1,0,0]=3 3017 B7R1.19 NC(=O)C1(CC1)O MCULE-6542611632 [0,0,1,1,0,0|2,0,0]=4 3018 B7R1.19 NC1(CC1)C(=O)Cl MCULE-1901749245 [0,0,1,1,0,0|2,0,0]=4 3019 B7R1.19 NC1(CC1)C(=O)Cl MCULE-4354269723 [0,0,1,1,0,0|2,0,0]=4 3020 B7R1.19 NC1(CC1)C(=O)O MCULE-8718774934 [0,0,1,1,0,0|2,0,0]=4 3021 B7R1.19 NC1(CC1)C(=O)O MCULE-8788149299 [0,0,1,1,0,0|2,0,0]=4 3022 B7R1.24 C1CNOCCN1 MCULE-3548078740 [0,0,1,1,0,0|1,0,1]=4 3023 B7R1.24 C1CNOCCN1 MCULE-4676245477 [0,0,1,1,0,0|1,0,1]=4 3024 B9R2.8 O=C1CC2CC(C1)N2 MCULE-3666889878 [0,0,0,1,0,1|2,0,0]=4 3025 B9R2.21 O=C1CC2CC2CN1 MCULE-8535104450 [0,0,0,1,0,1|2,0,0]=4 3026 B9R2.25 NC1=NC(=O)N2C1C2 MCULE-5660903088 [0,0,0,1,0,1|1,0,1]=4 3027 B9R2.39 O=C1CC2CCC1N2 MCULE-2060564396 [0,0,0,1,0,1|2,0,0]=4 3028 B9R2.39 O=C1CC2CCC1N2 MCULE-3298355504 [0,0,0,1,0,1|2,0,0]=4 3029 B9R2.109 O=C1NCCC2C1C2 MCULE-8817732346 [0,0,0,1,0,1|2,0,0]=4 3030 B9R2.19 O=C1NCC2CC1C2 MCULE-1404448235 [0,0,0,1,0,1|2,0,0]=4 3031 B9R2.19 O=C1NCC2CC1N2 MCULE-4322893965 [0,0,0,1,0,1|1,0,0]=3 3032 B9R2.5 O=C1NCCC12CC2 MCULE-4724464660 [0,1,0,1,0,0|2,0,0]=4 3033 B5R1.2 BrC1=CCC1 MCULE-7839710306 [1,0,0,0,1,0|2,0,0]=4 3034 B5R1.2 BrC1CNC1 MCULE-4959282437 [1,0,0,0,1,0|1,0,1]=4 3035 B5R1.2 BrC1CNC1 MCULE-5635086924 [1,0,0,0,1,0|1,0,1]=4 3036 B5R1.2 BrC1CNC1 MCULE-7561312043 [1,0,0,0,1,0|1,0,1]=4 3037 B5R1.2 BrC1COC1 MCULE-7527620035 [1,0,0,0,1,0|1,0,1]=4 3038 B5R1.2 C=C1CCC1 MCULE-8318650413 [1,0,0,0,1,0|2,0,0]=4 3039 B5R1.2 C=C1COC1 MCULE-1822645869 [1,0,0,0,1,0|2,0,0]=4 3040 B5R1.2 CC1CCN1 MCULE-7952714343 [1,0,0,0,1,0|1,0,1]=4 3041 B5R1.2 CC1CCN1 MCULE-9084374728 [1,0,0,0,1,0|1,0,1]=4 3042 B5R1.2 CC1CNC1 MCULE-3977066574 [1,0,0,0,1,0|1,0,1]=4 3043 B5R1.2 CC1CNC1 MCULE-7868611457 [1,0,0,0,1,0|1,0,1]=4 3044 B5R1.2 C[C@@H]1CCN1 MCULE-1326888606 [1,0,0,0,1,0|1,0,1]=4 3045 B5R1.2 C[C@@H]1CCN1 MCULE-4242598105 [1,0,0,0,1,0|1,0,1]=4 3046 B5R1.2 C[C@@H]1CCN1 MCULE-7982357684 [1,0,0,0,1,0|1,0,1]=4 3047 B5R1.2 C[C@@H]1CCN1 MCULE-9443505478 [1,0,0,0,1,0|1,0,1]=4 3048 B5R1.2 C[C@H]1CCN1 MCULE-3178162849 [1,0,0,0,1,0|1,0,1]=4 3049 B5R1.2 C[C@H]1CCN1 MCULE-4001397038 [1,0,0,0,1,0|1,0,1]=4 3050 B5R1.2 C[C@H]1CCN1 MCULE-4361200248 [1,0,0,0,1,0|1,0,1]=4 3051 B5R1.2 C[C@H]1CCN1 MCULE-6534579029 [1,0,0,0,1,0|1,0,1]=4 3052 B5R1.2 ClC1CNC1 MCULE-2051705029 [1,0,0,0,1,0|1,0,1]=4 3053 B5R1.2 ClC1CNC1 MCULE-6678325694 [1,0,0,0,1,0|1,0,1]=4 3054 B5R1.2 ClC1COC1 MCULE-7266812470 [1,0,0,0,1,0|1,0,1]=4 3055 B5R1.2 FC1CNC1 MCULE-5746598794 [1,0,0,0,1,0|1,0,1]=4 3056 B5R1.2 FC1CNC1 MCULE-9427948721 [1,0,0,0,1,0|1,0,1]=4 3057 B5R1.2 FC1COC1 MCULE-7899811313 [1,0,0,0,1,0|1,0,1]=4 3058 B5R1.2 IC1CNC1 MCULE-5957681014 [1,0,0,0,1,0|1,0,1]=4 3059 B5R1.2 IC1CNC1 MCULE-7396587981 [1,0,0,0,1,0|1,0,1]=4 3060 B5R1.2 IC1COC1 MCULE-6736781201 [1,0,0,0,1,0|1,0,1]=4 3061 B5R1.2 NC1CCC1 MCULE-7511834789 [1,0,0,0,1,0|1,0,1]=4 3062 B5R1.2 NC1CCC1 MCULE-9118406840 [1,0,0,0,1,0|1,0,1]=4 3063 B5R1.2 NC1CNC1 MCULE-3069271350 [1,0,0,0,1,0|0,0,1]=3 3064 B5R1.2 NC1CNC1 MCULE-4785323807 [1,0,0,0,1,0|0,0,1]=3 3065 B5R1.2 NC1COC1 MCULE-3457998413 [1,0,0,0,1,0|0,0,1]=3 3066 B5R1.2 NC1COC1 MCULE-8439862131 [1,0,0,0,1,0|0,0,1]=3 3067 B5R1.2 NC1CSC1 MCULE-8155396913 [1,0,0,0,1,0|0,1,1]=4 3068 B5R1.2 NC1CSC1 MCULE-8463545676 [1,0,0,0,1,0|0,1,1]=4 3069 B5R1.2 NC1CSC1 MCULE-8920812656 [1,0,0,0,1,0|0,1,1]=4 3070 B5R1.2 O=C1CCC1 MCULE-4870967355 [1,0,0,0,1,0|1,0,0]=3 3071 B5R1.2 O=C1CCN1 MCULE-9053067221 [1,0,0,0,1,0|0,0,0]=2 3072 B5R1.2 O=C1CCO1 MCULE-1277069147 [1,0,0,0,1,0|0,0,0]=2 3073 B5R1.2 O=C1CNC1 MCULE-5171659870 [1,0,0,0,1,0|2,0,0]=4 3074 B5R1.2 O=C1CNC1 MCULE-8293494956 [1,0,0,0,1,0|2,0,0]=4 3075 B5R1.2 O=C1COC1 MCULE-6847248632 [1,0,0,0,1,0|1,0,0]=3 3076 B5R1.2 O=C1CSC1 MCULE-4436071261 [1,0,0,0,1,0|1,1,0]=4 3077 B5R1.2 OC1CNC1 MCULE-3596383447 [1,0,0,0,1,0|1,0,1]=4 3078 B5R1.2 OC1CNC1 MCULE-7913518128 [1,0,0,0,1,0|1,0,1]=4 3079 B5R1.2 OC1COC1 MCULE-2630355859 [1,0,0,0,1,0|1,0,1]=4 3080 B5R1.2 SC1CNC1 MCULE-5823473779 [1,0,0,0,1,0|1,0,1]=4 3081 B5R1.2 SC1CNC1 MCULE-9002536698 [1,0,0,0,1,0|1,0,1]=4 3082 B5R1.2 SC1COC1 MCULE-2175099379 [1,0,0,0,1,0|1,0,1]=4 3083 B5R1.4 CC1CC1N MCULE-4472318973 [0,0,0,0,2,0|1,0,1]=4 3084 B5R1.4 CC1CC1N MCULE-8037315228 [0,0,0,0,2,0|1,0,1]=4 3085 B5R1.4 C[C@@H]1C[C@@H]1N MCULE-6282896395 [0,0,0,0,2,0|1,0,1]=4 3086 B5R1.4 C[C@@H]1C[C@H]1N MCULE-1526017761 [0,0,0,0,2,0|1,0,1]=4 3087 B5R1.4 C[C@@H]1C[C@H]1N MCULE-7111745511 [0,0,0,0,2,0|1,0,1]=4 3088 B5R1.4 C[C@@H]1C[C@H]1N MCULE-7879046644 [0,0,0,0,2,0|1,0,1]=4 3089 B5R1.4 C[C@@H]1C[C@H]1N MCULE-9805986423 [0,0,0,0,2,0|1,0,1]=4 3090 B5R1.4 C[C@H]1C[C@@H]1N MCULE-9525222696 [0,0,0,0,2,0|1,0,1]=4 3091 B5R1.4 C[C@H]1C[C@@H]1N MCULE-9658987958 [0,0,0,0,2,0|1,0,1]=4 3092 B5R1.4 C[C@H]1C[C@H]1N MCULE-4953477750 [0,0,0,0,2,0|1,0,1]=4 3093 B5R1.4 C[C@H]1C[C@H]1N MCULE-6429810931 [0,0,0,0,2,0|1,0,1]=4 3094 B5R1.4 NC1CC1F MCULE-8246845073 [0,0,0,0,2,0|1,0,1]=4 3095 B5R1.4 NC1CC1F MCULE-9705431616 [0,0,0,0,2,0|1,0,1]=4 3096 B5R1.4 NC1CC1N MCULE-2596247889 [0,0,0,0,2,0|1,0,1]=4 3097 B5R1.4 NC1CC1N MCULE-7859500244 [0,0,0,0,2,0|1,0,1]=4 3098 B5R1.4 NC1CC1O MCULE-2677451452 [0,0,0,0,2,0|0,0,2]=4 3099 B5R1.4 NC1CC1O MCULE-2909581707 [0,0,0,0,2,0|0,0,2]=4 3100 B5R1.4 NC1C[C@@H]1F MCULE-6104198419 [0,0,0,0,2,0|1,0,1]=4 3101 B5R1.4 NC1C[C@@H]1F MCULE-8327037761 [0,0,0,0,2,0|1,0,1]=4 3102 B5R1.4 N[C@@H]1C[C@@H]1F MCULE-1523759808 [0,0,0,0,2,0|1,0,1]=4 3103 B5R1.4 N[C@@H]1C[C@@H]1F MCULE-1966857090 [0,0,0,0,2,0|1,0,1]=4 3104 B5R1.4 N[C@@H]1C[C@@H]1F MCULE-3541599795 [0,0,0,0,2,0|1,0,1]=4 3105 B5R1.4 N[C@@H]1C[C@@H]1F MCULE-8279324103 [0,0,0,0,2,0|1,0,1]=4 3106 B5R1.4 N[C@@H]1C[C@@H]1O MCULE-1950197706 [0,0,0,0,2,0|0,0,2]=4 3107 B5R1.4 N[C@@H]1C[C@H]1F MCULE-1379839035 [0,0,0,0,2,0|1,0,1]=4 3108 B5R1.4 N[C@@H]1C[C@H]1F MCULE-7084330140 [0,0,0,0,2,0|1,0,1]=4 3109 B5R1.4 N[C@@H]1C[C@H]1F MCULE-7552076798 [0,0,0,0,2,0|1,0,1]=4 3110 B5R1.4 N[C@@H]1C[C@H]1F MCULE-7897288338 [0,0,0,0,2,0|1,0,1]=4 3111 B5R1.4 N[C@@H]1C[C@H]1N MCULE-3447984641 [0,0,0,0,2,0|1,0,1]=4 3112 B5R1.4 N[C@@H]1C[C@H]1N MCULE-6823903337 [0,0,0,0,2,0|1,0,1]=4 3113 B5R1.4 N[C@@H]1C[C@H]1N MCULE-7464483331 [0,0,0,0,2,0|1,0,1]=4 3114 B5R1.4 N[C@@H]1C[C@H]1N MCULE-8962336863 [0,0,0,0,2,0|1,0,1]=4 3115 B5R1.4 N[C@@H]1C[C@H]1O MCULE-5188790849 [0,0,0,0,2,0|0,0,2]=4 3116 B5R1.4 N[C@@H]1C[C@H]1O MCULE-8531829585 [0,0,0,0,2,0|0,0,2]=4 3117 B5R1.4 N[C@H]1C[C@@H]1F MCULE-2098980306 [0,0,0,0,2,0|1,0,1]=4 3118 B5R1.4 N[C@H]1C[C@@H]1F MCULE-4142129455 [0,0,0,0,2,0|1,0,1]=4 3119 B5R1.4 N[C@H]1C[C@@H]1F MCULE-8616633135 [0,0,0,0,2,0|1,0,1]=4 3120 B5R1.4 N[C@H]1C[C@@H]1F MCULE-8788279695 [0,0,0,0,2,0|1,0,1]=4 3121 B5R1.4 N[C@H]1C[C@@H]1N MCULE-3374448650 [0,0,0,0,2,0|1,0,1]=4 3122 B5R1.4 N[C@H]1C[C@@H]1N MCULE-3782038729 [0,0,0,0,2,0|1,0,1]=4 3123 B5R1.4 N[C@H]1C[C@@H]1N MCULE-7583094160 [0,0,0,0,2,0|1,0,1]=4 3124 B5R1.4 N[C@H]1C[C@@H]1O MCULE-4699241997 [0,0,0,0,2,0|0,0,2]=4 3125 B5R1.4 N[C@H]1C[C@H]1F MCULE-1665232627 [0,0,0,0,2,0|1,0,1]=4 3126 B5R1.4 N[C@H]1C[C@H]1F MCULE-1941678287 [0,0,0,0,2,0|1,0,1]=4 3127 B5R1.4 N[C@H]1C[C@H]1F MCULE-3275343851 [0,0,0,0,2,0|1,0,1]=4 3128 B5R1.4 N[C@H]1C[C@H]1F MCULE-5308534229 [0,0,0,0,2,0|1,0,1]=4 3129 B5R1.4 N[C@H]1C[C@H]1N MCULE-1426528738 [0,0,0,0,2,0|1,0,1]=4 3130 B5R1.4 N[C@H]1C[C@H]1N MCULE-6003446819 [0,0,0,0,2,0|1,0,1]=4 3131 B5R1.4 N[C@H]1C[C@H]1O MCULE-3609246488 [0,0,0,0,2,0|0,0,2]=4 3132 B5R1.4 N[C@H]1C[C@H]1O MCULE-3860963329 [0,0,0,0,2,0|0,0,2]=4 3133 B5R1.4 [C@@H]1(C[C@H]1N)F MCULE-5118118569 [0,0,0,0,2,0|1,0,1]=4 3134 B5R1.4 [C@H]1(C[C@H]1F)N MCULE-1071128348 [0,0,0,0,2,0|1,0,1]=4 3135 B5R1.4 [C@H]1(C[C@H]1F)N MCULE-8956631145 [0,0,0,0,2,0|1,0,1]=4 3136 B9R1.48 CC1CC(=O)NCCN1 MCULE-4537177994 [0,0,0,0,0,2|2,0,0]=4 3137 B9R1.48 CC1CC(=O)NCCS1 MCULE-3715670462 [0,0,0,0,0,2|2,0,0]=4 3138 B9R1.48 C[C@H]1CC(=O)NCCN1 MCULE-6214285788 [0,0,0,0,0,2|2,0,0]=4 3139 B9R1.48 NC1CCCNC(=O)C1 MCULE-3170887073 [0,0,0,0,0,2|1,0,0]=3 3140 B9R1.48 O=C1CC(CCCN1)O MCULE-6648954515 [0,0,0,0,0,2|2,0,0]=4 3141 B9R1.49 CC1CCNC(=O)CC1 MCULE-4158970437 [0,0,0,0,0,2|2,0,0]=4 3142 B9R1.49 NC1CCCC(=O)NC1 MCULE-1344459585 [0,0,0,0,0,2|2,0,0]=4 3143 B9R1.49 NC1CCCC(=O)NC1 MCULE-1546951296 [0,0,0,0,0,2|2,0,0]=4 3144 B9R1.49 NC1CCNC(=O)CC1 MCULE-5608507579 [0,0,0,0,0,2|1,0,0]=3 3145 B9R1.49 NC1CCNC(=O)CC1 MCULE-7880148448 [0,0,0,0,0,2|1,0,0]=3 3146 B9R1.5 CC1CCCCNC1=O MCULE-6519247850 [0,0,0,0,0,2|2,0,0]=4 3147 B9R1.5 CC1CCNCCC1=O MCULE-4416410353 [0,0,0,0,0,2|2,0,0]=4 3148 B9R1.5 CC1CCNCCC1=O MCULE-7780011332 [0,0,0,0,0,2|2,0,0]=4 3149 B9R1.5 CC1CNCCNC1=O MCULE-2843888618 [0,0,0,0,0,2|2,0,0]=4 3150 B9R1.5 CC1CNCCNC1=O MCULE-9735119039 [0,0,0,0,0,2|2,0,0]=4 3151 B9R1.5 CC1NCCCNC1=O MCULE-3428365237 [0,0,0,0,0,2|2,0,0]=4 3152 B9R1.5 CC1NCCCNC1=O MCULE-7033727889 [0,0,0,0,0,2|2,0,0]=4 3153 B9R1.5 CC1OCCCNC1=O MCULE-1643502257 [0,0,0,0,0,2|2,0,0]=4 3154 B9R1.5 C[C@@H]1NCCCNC1=O MCULE-1934186049 [0,0,0,0,0,2|2,0,0]=4 3155 B9R1.5 C[C@@H]1NCCCNC1=O MCULE-5236470932 [0,0,0,0,0,2|2,0,0]=4 3156 B9R1.5 C[C@H]1NCCCNC1=O MCULE-1257602323 [0,0,0,0,0,2|2,0,0]=4 3157 B9R1.5 C[C@H]1NCCCNC1=O MCULE-9576161221 [0,0,0,0,0,2|2,0,0]=4 3158 B9R1.5 NC1CCCCCC1=O MCULE-1905655125 [0,0,0,0,0,2|2,0,0]=4 3159 B9R1.5 NC1CCCCCC1=O MCULE-7826089166 [0,0,0,0,0,2|2,0,0]=4 3160 B9R1.5 NC1CCCCNC1=O MCULE-1440525393 [0,0,0,0,0,2|1,0,0]=3 3161 B9R1.5 NC1CCCCNC1=O MCULE-9185446308 [0,0,0,0,0,2|1,0,0]=3 3162 B9R1.5 NC1CCCCNC1=O MCULE-9575519565 [0,0,0,0,0,2|1,0,0]=3 3163 B9R1.5 NC1CCCCNC1=O MCULE-9618135909 [0,0,0,0,0,2|1,0,0]=3 3164 B9R1.5 NC1CSCCNC1=O MCULE-7770173405 [0,0,0,0,0,2|0,1,0]=3 3165 B9R1.5 NC1CSCCNC1=O MCULE-9983094521 [0,0,0,0,0,2|0,1,0]=3 3166 B9R1.5 N[C@@H]1CCCCNC1=O MCULE-5153147263 [0,0,0,0,0,2|1,0,0]=3 3167 B9R1.5 N[C@@H]1CCCCNC1=O MCULE-7391081425 [0,0,0,0,0,2|1,0,0]=3 3168 B9R1.5 N[C@@H]1CCCCNC1=O MCULE-7745749225 [0,0,0,0,0,2|1,0,0]=3 3169 B9R1.5 N[C@@H]1CCCCNC1=O MCULE-8592559653 [0,0,0,0,0,2|1,0,0]=3 3170 B9R1.5 N[C@@H]1COCCNC1=O MCULE-1477215870 [0,0,0,0,0,2|0,0,0]=2 3171 B9R1.5 N[C@@H]1COCCNC1=O MCULE-2338970221 [0,0,0,0,0,2|0,0,0]=2 3172 B9R1.5 N[C@@H]1CSCCNC1=O MCULE-1397409442 [0,0,0,0,0,2|0,1,0]=3 3173 B9R1.5 N[C@@H]1CSCCNC1=O MCULE-7600788919 [0,0,0,0,0,2|0,1,0]=3 3174 B9R1.5 N[C@H]1CCCCNC1=O MCULE-1339098987 [0,0,0,0,0,2|1,0,0]=3 3175 B9R1.5 N[C@H]1CCCCNC1=O MCULE-1817473261 [0,0,0,0,0,2|1,0,0]=3 3176 B9R1.5 N[C@H]1CCCCNC1=O MCULE-2707429520 [0,0,0,0,0,2|1,0,0]=3 3177 B9R1.5 N[C@H]1CCCCNC1=O MCULE-9750792164 [0,0,0,0,0,2|1,0,0]=3 3178 B9R1.5 N[C@H]1COCCNC1=O MCULE-2013857076 [0,0,0,0,0,2|0,0,0]=2 3179 B9R1.5 N[C@H]1COCCNC1=O MCULE-4948373035 [0,0,0,0,0,2|0,0,0]=2 3180 B9R1.5 N[C@H]1COCCNC1=O MCULE-6232646531 [0,0,0,0,0,2|0,0,0]=2 3181 B9R1.5 N[C@H]1COCCNC1=O MCULE-7847351792 [0,0,0,0,0,2|0,0,0]=2 3182 B9R1.5 N[C@H]1CSCCNC1=O MCULE-4925355772 [0,0,0,0,0,2|0,1,0]=3 3183 B9R1.5 N[C@H]1CSCCNC1=O MCULE-6049507227 [0,0,0,0,0,2|0,1,0]=3 3184 B9R1.5 N[C@H]1CSCCNC1=O MCULE-8145988653 [0,0,0,0,0,2|0,1,0]=3 3185 B9R1.5 O=C1CCNCCC1Br MCULE-2617340721 [0,0,0,0,0,2|2,0,0]=4 3186 B9R1.5 O=C1CCNCCC1Br MCULE-7631698969 [0,0,0,0,0,2|2,0,0]=4 3187 B9R1.5 O=C1CCNCCC1F MCULE-5060609426 [0,0,0,0,0,2|2,0,0]=4 3188 B9R1.5 O=C1CCNCCC1F MCULE-9571678689 [0,0,0,0,0,2|2,0,0]=4 3189 B9R1.5 O=C1CNCCCC1F MCULE-6506742195 [0,0,0,0,0,2|2,0,0]=4 3190 B9R1.5 O=C1CNCCCC1F MCULE-9667202528 [0,0,0,0,0,2|2,0,0]=4 3191 B9R1.5 O=C1NCCCCC1Br MCULE-1879428965 [0,0,0,0,0,2|2,0,0]=4