0 B5R1.3 BrCC1CC1 MCULE-6057571576 [0,0,0,0,0,0|1,1,0]=2 1 B5R1.3 BrCC1CO1 MCULE-1054784183 [0,0,0,0,0,0|0,1,0]=1 2 B5R1.3 C#CC1CC1 MCULE-8413731516 [0,0,0,0,0,0|2,0,1]=3 3 B5R1.3 C1(CO1)CCl MCULE-2239256431 [0,0,0,0,0,0|0,0,0]=0 4 B5R1.3 C=CC1CC1 MCULE-4323158851 [0,0,0,0,0,0|2,0,1]=3 5 B5R1.3 C=CC1CO1 MCULE-1428696186 [0,0,0,0,0,0|1,0,1]=2 6 B5R1.3 CCC1CO1 MCULE-4316722229 [0,0,0,0,0,0|1,0,0]=1 7 B5R1.3 CCC1CO1 MCULE-8341828978 [0,0,0,0,0,0|1,0,0]=1 8 B5R1.3 CC[C@@H]1CO1 MCULE-4349820919 [0,0,0,0,0,0|1,0,0]=1 9 B5R1.3 CC[C@@H]1CO1 MCULE-5929218989 [0,0,0,0,0,0|1,0,0]=1 10 B5R1.3 CC[C@H]1CO1 MCULE-3647278168 [0,0,0,0,0,0|1,0,0]=1 11 B5R1.3 CC[C@H]1CO1 MCULE-4369524443 [0,0,0,0,0,0|1,0,0]=1 12 B5R1.3 CNC1CC1 MCULE-4055097650 [0,0,0,0,0,0|3,0,0]=3 13 B5R1.3 CNC1CC1 MCULE-8040280524 [0,0,0,0,0,0|3,0,0]=3 14 B5R1.3 ClCC1CC1 MCULE-3906493674 [0,0,0,0,0,0|1,0,0]=1 15 B5R1.3 ClCC1CO1 MCULE-9759519789 [0,0,0,0,0,0|0,0,0]=0 16 B5R1.3 ClCC1CS1 MCULE-7368175691 [0,0,0,0,0,0|0,1,0]=1 17 B5R1.3 ClC[C@@H]1CO1 MCULE-8144448889 [0,0,0,0,0,0|0,0,0]=0 18 B5R1.3 ClC[C@@H]1CO1 MCULE-8710235870 [0,0,0,0,0,0|0,0,0]=0 19 B5R1.3 ClC[C@H]1CO1 MCULE-2316124162 [0,0,0,0,0,0|0,0,0]=0 20 B5R1.3 ClC[C@H]1CO1 MCULE-6957304600 [0,0,0,0,0,0|0,0,0]=0 21 B5R1.3 FCC1CO1 MCULE-6156138745 [0,0,0,0,0,0|0,1,0]=1 22 B5R1.3 FC[C@@H]1CO1 MCULE-7477932707 [0,0,0,0,0,0|0,1,0]=1 23 B5R1.3 FNC1CC1 MCULE-4155496114 [0,0,0,0,0,0|2,1,0]=3 24 B5R1.3 ICC1CC1 MCULE-2390979991 [0,0,0,0,0,0|1,1,0]=2 25 B5R1.3 ICC1CO1 MCULE-6993621560 [0,0,0,0,0,0|0,1,0]=1 26 B5R1.3 N#CC1CC1 MCULE-1838359731 [0,0,0,0,0,0|2,0,1]=3 27 B5R1.3 NCC1CC1 MCULE-5832294538 [0,0,0,0,0,0|2,0,0]=2 28 B5R1.3 NCC1CC1 MCULE-9914994928 [0,0,0,0,0,0|2,0,0]=2 29 B5R1.3 NNC1CC1 MCULE-3522729516 [0,0,0,0,0,0|3,0,0]=3 30 B5R1.3 NNC1CC1 MCULE-7121199703 [0,0,0,0,0,0|3,0,0]=3 31 B5R1.3 NNC1CC1 MCULE-8598538666 [0,0,0,0,0,0|3,0,0]=3 32 B5R1.3 NOC1CC1 MCULE-5379816123 [0,0,0,0,0,0|3,0,0]=3 33 B5R1.3 O=CC1CC1 MCULE-9773190262 [0,0,0,0,0,0|2,0,1]=3 34 B5R1.3 OCC1CC1 MCULE-4492474357 [0,0,0,0,0,0|2,0,0]=2 35 B5R1.3 OCC1CO1 MCULE-2158628585 [0,0,0,0,0,0|1,0,0]=1 36 B5R1.3 OCC1CO1 MCULE-4063620133 [0,0,0,0,0,0|1,0,0]=1 37 B5R1.3 OC[C@@H]1CO1 MCULE-4213198809 [0,0,0,0,0,0|1,0,0]=1 38 B5R1.3 OC[C@@H]1CO1 MCULE-6922911793 [0,0,0,0,0,0|1,0,0]=1 39 B5R1.3 OC[C@H]1CO1 MCULE-2018407404 [0,0,0,0,0,0|1,0,0]=1 40 B5R1.3 OC[C@H]1CO1 MCULE-9773081927 [0,0,0,0,0,0|1,0,0]=1 41 B5R1.3 SCC1CC1 MCULE-9557919804 [0,0,0,0,0,0|2,0,0]=2 42 B5R1.3 [C@@H]1(CO1)C=C MCULE-9776744095 [0,0,0,0,0,0|1,0,1]=2 43 B5R1.3 [C@H]1(CO1)C=C MCULE-7934901088 [0,0,0,0,0,0|1,0,1]=2 44 B4R1.2 BrC1CC1 MCULE-3656295609 [1,0,0,0,0,0|1,1,0]=3 45 B4R1.2 CC1CC1 MCULE-5909419916 [1,0,0,0,0,0|1,0,0]=2 46 B4R1.2 CC1CN1 MCULE-2953452695 [1,0,0,0,0,0|1,0,0]=2 47 B4R1.2 CC1CO1 MCULE-4799904973 [1,0,0,0,0,0|0,0,0]=1 48 B4R1.2 CC1CO1 MCULE-9508255430 [1,0,0,0,0,0|0,0,0]=1 49 B4R1.2 CC1CS1 MCULE-2534699321 [1,0,0,0,0,0|0,1,0]=2 50 B4R1.2 C[C@@H]1CO1 MCULE-5437340901 [1,0,0,0,0,0|0,0,0]=1 51 B4R1.2 C[C@@H]1CO1 MCULE-6874302400 [1,0,0,0,0,0|0,0,0]=1 52 B4R1.2 C[C@H]1CO1 MCULE-4667457959 [1,0,0,0,0,0|0,0,0]=1 53 B4R1.2 IC1CC1 MCULE-6043109265 [1,0,0,0,0,0|1,1,0]=3 54 B4R1.2 NC1CC1 MCULE-1933360330 [1,0,0,0,0,0|2,0,0]=3 55 B4R1.2 NC1CC1 MCULE-6187070220 [1,0,0,0,0,0|2,0,0]=3 56 B4R1.2 OC1CC1 MCULE-8237846154 [1,0,0,0,0,0|2,0,0]=3 57 B4R1.2 SC1CC1 MCULE-1371610395 [1,0,0,0,0,0|2,0,0]=3 58 B4R1.2 [C@@H]1(CN1)C MCULE-4079798985 [1,0,0,0,0,0|1,0,0]=2 59 B6R1.3 Br/C=C/C1CC1 MCULE-8231904960 [0,1,0,0,0,0|1,1,1]=4 60 B6R1.3 BrC#CC1CC1 MCULE-3549954244 [0,1,0,0,0,0|1,1,1]=4 61 B6R1.3 BrC=CC1CC1 MCULE-7061395349 [0,1,0,0,0,0|1,1,1]=4 62 B6R1.3 BrCCC1CC1 MCULE-3454213225 [0,1,0,0,0,0|1,1,0]=3 63 B6R1.3 BrCCC1CO1 MCULE-9889314000 [0,1,0,0,0,0|0,1,0]=2 64 B6R1.3 BrCC[C@@H]1CO1 MCULE-7015242723 [0,1,0,0,0,0|0,1,0]=2 65 B6R1.3 BrCC[C@H]1CO1 MCULE-3286755305 [0,1,0,0,0,0|0,1,0]=2 66 B6R1.3 BrCC[C@H]1CO1 MCULE-3512143037 [0,1,0,0,0,0|0,1,0]=2 67 B6R1.3 C#CCC1CC1 MCULE-4980990503 [0,1,0,0,0,0|2,0,0]=3 68 B6R1.3 CC#CC1CC1 MCULE-8441018700 [0,1,0,0,0,0|2,0,1]=4 69 B6R1.3 CCCC1CO1 MCULE-5080039224 [0,1,0,0,0,0|1,0,0]=2 70 B6R1.3 CCC[C@@H]1CO1 MCULE-1815222100 [0,1,0,0,0,0|1,0,0]=2 71 B6R1.3 CCC[C@H]1CO1 MCULE-9952368131 [0,1,0,0,0,0|1,0,0]=2 72 B6R1.3 CCNC1CC1 MCULE-6542327880 [0,1,0,0,0,0|2,0,0]=3 73 B6R1.3 CCNC1CC1 MCULE-6804557809 [0,1,0,0,0,0|2,0,0]=3 74 B6R1.3 CCNC1CC1 MCULE-7846800898 [0,1,0,0,0,0|2,0,0]=3 75 B6R1.3 CNCC1CC1 MCULE-4410938050 [0,1,0,0,0,0|2,0,0]=3 76 B6R1.3 CNCC1CC1 MCULE-6365201280 [0,1,0,0,0,0|2,0,0]=3 77 B6R1.3 COCC1CO1 MCULE-3193889854 [0,1,0,0,0,0|1,0,0]=2 78 B6R1.3 COC[C@@H]1CO1 MCULE-8086795507 [0,1,0,0,0,0|1,0,0]=2 79 B6R1.3 COC[C@@H]1CO1 MCULE-8921875584 [0,1,0,0,0,0|1,0,0]=2 80 B6R1.3 COC[C@H]1CO1 MCULE-7210190703 [0,1,0,0,0,0|1,0,0]=2 81 B6R1.3 COC[C@H]1CO1 MCULE-8979404390 [0,1,0,0,0,0|1,0,0]=2 82 B6R1.3 CONC1CC1 MCULE-3903074552 [0,1,0,0,0,0|3,0,0]=4 83 B6R1.3 CONC1CC1 MCULE-6248549552 [0,1,0,0,0,0|3,0,0]=4 84 B6R1.3 CSCC1CO1 MCULE-9014850650 [0,1,0,0,0,0|1,0,0]=2 85 B6R1.3 ClCCC1CC1 MCULE-5665496795 [0,1,0,0,0,0|1,0,0]=2 86 B6R1.3 ClCCC1CO1 MCULE-2772510260 [0,1,0,0,0,0|0,0,0]=1 87 B6R1.3 ICCC1CC1 MCULE-5518738700 [0,1,0,0,0,0|1,1,0]=3 88 B6R1.3 N#CCC1CC1 MCULE-4951047709 [0,1,0,0,0,0|2,0,0]=3 89 B6R1.3 N#N=NC1CC1 MCULE-9431259556 [0,1,0,0,0,0|3,0,0]=4 90 B6R1.3 NCCC1CC1 MCULE-8459735325 [0,1,0,0,0,0|2,0,0]=3 91 B6R1.3 NCCC1CC1 MCULE-9646218986 [0,1,0,0,0,0|2,0,0]=3 92 B6R1.3 NCCN1CC1 MCULE-3554584147 [0,1,0,0,0,0|3,0,0]=4 93 B6R1.3 NNCC1CC1 MCULE-4020404918 [0,1,0,0,0,0|2,0,0]=3 94 B6R1.3 NNCC1CC1 MCULE-7742306770 [0,1,0,0,0,0|2,0,0]=3 95 B6R1.3 NNCC1CC1 MCULE-8978618772 [0,1,0,0,0,0|2,0,0]=3 96 B6R1.3 NOCC1CC1 MCULE-3594146552 [0,1,0,0,0,0|2,0,0]=3 97 B6R1.3 NOCC1CC1 MCULE-7376211865 [0,1,0,0,0,0|2,0,0]=3 98 B6R1.3 O=C=NC1CC1 MCULE-8769435962 [0,1,0,0,0,0|2,0,1]=4 99 B6R1.3 O=CCC1CC1 MCULE-3319649937 [0,1,0,0,0,0|2,0,0]=3 100 B6R1.3 O=CNC1CC1 MCULE-6602451187 [0,1,0,0,0,0|2,0,1]=4 101 B6R1.3 OCCC1CC1 MCULE-1360348684 [0,1,0,0,0,0|2,0,0]=3 102 B6R1.3 OCCC1CO1 MCULE-6523000607 [0,1,0,0,0,0|1,0,0]=2 103 B6R1.3 OCCN1CC1 MCULE-3845187783 [0,1,0,0,0,0|3,0,0]=4 104 B6R1.3 OCC[C@@H]1CO1 MCULE-4797533590 [0,1,0,0,0,0|1,0,0]=2 105 B6R1.3 OCC[C@@H]1CO1 MCULE-6833850805 [0,1,0,0,0,0|1,0,0]=2 106 B6R1.3 OCC[C@H]1CO1 MCULE-3560802495 [0,1,0,0,0,0|1,0,0]=2 107 B6R1.3 OCC[C@H]1CO1 MCULE-8738926598 [0,1,0,0,0,0|1,0,0]=2 108 B6R1.3 S=C=NC1CC1 MCULE-5041896509 [0,1,0,0,0,0|2,0,1]=4 109 B6R1.7 BrCC1(CC1)Br MCULE-3664717874 [0,1,0,0,0,0|1,1,0]=3 110 B6R1.7 C#CC1(CC1)C MCULE-7036163809 [0,1,0,0,0,0|2,0,1]=4 111 B6R1.7 C#CC1(CC1)N MCULE-2111588628 [0,1,0,0,0,0|2,0,1]=4 112 B6R1.7 C#CC1(CC1)N MCULE-6233600820 [0,1,0,0,0,0|2,0,1]=4 113 B6R1.7 C#CC1(CC1)O MCULE-2391074408 [0,1,0,0,0,0|2,0,1]=4 114 B6R1.7 C=CC1(CC1)O MCULE-4527683750 [0,1,0,0,0,0|2,0,1]=4 115 B6R1.7 C=CC1(CO1)C MCULE-2507036726 [0,1,0,0,0,0|1,0,1]=3 116 B6R1.7 CC1(CC1)C#N MCULE-1818955537 [0,1,0,0,0,0|2,0,1]=4 117 B6R1.7 CC1(CC1)C=O MCULE-3651219428 [0,1,0,0,0,0|2,0,1]=4 118 B6R1.7 CC1(CC1)CBr MCULE-7638105894 [0,1,0,0,0,0|1,1,0]=3 119 B6R1.7 CC1(CC1)CCl MCULE-5653369516 [0,1,0,0,0,0|1,0,0]=2 120 B6R1.7 CC1(CC1)CN MCULE-2933267296 [0,1,0,0,0,0|2,0,0]=3 121 B6R1.7 CC1(CC1)CN MCULE-6561269012 [0,1,0,0,0,0|2,0,0]=3 122 B6R1.7 CC1(CC1)CO MCULE-9292264802 [0,1,0,0,0,0|2,0,0]=3 123 B6R1.7 CC1(CO1)CBr MCULE-5372688659 [0,1,0,0,0,0|0,1,0]=2 124 B6R1.7 CC1(CO1)CCl MCULE-8847094307 [0,1,0,0,0,0|0,0,0]=1 125 B6R1.7 CC1(CO1)CO MCULE-1000912721 [0,1,0,0,0,0|1,0,0]=2 126 B6R1.7 CC1(N=N1)CN MCULE-9632613863 [0,1,0,0,0,0|3,0,0]=4 127 B6R1.7 CC1(N=N1)CN MCULE-9741209062 [0,1,0,0,0,0|3,0,0]=4 128 B6R1.7 CC1(N=N1)CO MCULE-3111044066 [0,1,0,0,0,0|3,0,0]=4 129 B6R1.7 CCC1(CC1)N MCULE-3440893089 [0,1,0,0,0,0|2,0,0]=3 130 B6R1.7 CCC1(CC1)N MCULE-8936334501 [0,1,0,0,0,0|2,0,0]=3 131 B6R1.7 CCC1(CC1)O MCULE-7491011687 [0,1,0,0,0,0|2,0,0]=3 132 B6R1.7 CCC1(CO1)C MCULE-5308881519 [0,1,0,0,0,0|1,0,0]=2 133 B6R1.7 CNC1(CC1)C MCULE-5271625822 [0,1,0,0,0,0|3,0,0]=4 134 B6R1.7 CNC1(CC1)C MCULE-9473196269 [0,1,0,0,0,0|3,0,0]=4 135 B6R1.7 C[C@@]1(CO1)CO MCULE-2087028484 [0,1,0,0,0,0|1,0,0]=2 136 B6R1.7 C[C@@]1(CO1)CO MCULE-6244999634 [0,1,0,0,0,0|1,0,0]=2 137 B6R1.7 C[C@]1(CO1)CO MCULE-1098652766 [0,1,0,0,0,0|1,0,0]=2 138 B6R1.7 C[C@]1(CO1)CO MCULE-9811443530 [0,1,0,0,0,0|1,0,0]=2 139 B6R1.7 ClC1(CC1)CBr MCULE-5738182750 [0,1,0,0,0,0|1,1,0]=3 140 B6R1.7 ClCC1(CC1)Br MCULE-5375999277 [0,1,0,0,0,0|1,0,0]=2 141 B6R1.7 FC1(CC1)CBr MCULE-9308548759 [0,1,0,0,0,0|1,1,0]=3 142 B6R1.7 N#CC1(CC1)Br MCULE-4275489303 [0,1,0,0,0,0|2,0,1]=4 143 B6R1.7 N#CC1(CC1)N MCULE-2345532836 [0,1,0,0,0,0|2,0,1]=4 144 B6R1.7 N#CC1(CC1)N MCULE-6976493694 [0,1,0,0,0,0|2,0,1]=4 145 B6R1.7 N#CC1(CC1)O MCULE-1394111227 [0,1,0,0,0,0|2,0,1]=4 146 B6R1.7 NC1(CC1)CF MCULE-3560419554 [0,1,0,0,0,0|1,1,0]=3 147 B6R1.7 NC1(CC1)CF MCULE-5037711402 [0,1,0,0,0,0|1,1,0]=3 148 B6R1.7 NC1(CC1)CO MCULE-5890036745 [0,1,0,0,0,0|2,0,0]=3 149 B6R1.7 NC1(CC1)CO MCULE-6476116416 [0,1,0,0,0,0|2,0,0]=3 150 B6R1.7 NCC1(CC1)Br MCULE-7318489845 [0,1,0,0,0,0|2,0,0]=3 151 B6R1.7 NCC1(CC1)F MCULE-6736176817 [0,1,0,0,0,0|2,0,0]=3 152 B6R1.7 NCC1(CC1)F MCULE-7735967320 [0,1,0,0,0,0|2,0,0]=3 153 B6R1.7 NCC1(CC1)N MCULE-4980820376 [0,1,0,0,0,0|2,0,0]=3 154 B6R1.7 NCC1(CC1)N MCULE-7033999881 [0,1,0,0,0,0|2,0,0]=3 155 B6R1.7 NCC1(CC1)O MCULE-7633241990 [0,1,0,0,0,0|2,0,0]=3 156 B6R1.7 NCC1(CC1)O MCULE-8264909288 [0,1,0,0,0,0|2,0,0]=3 157 B6R1.7 O=CC1(CC1)F MCULE-5455667660 [0,1,0,0,0,0|2,0,1]=4 158 B6R1.7 OCC1(CC1)Br MCULE-2797548638 [0,1,0,0,0,0|2,0,0]=3 159 B6R1.7 OCC1(CC1)Cl MCULE-4350532922 [0,1,0,0,0,0|2,0,0]=3 160 B6R1.7 OCC1(CC1)F MCULE-9539268105 [0,1,0,0,0,0|2,0,0]=3 161 B6R1.7 OCC1(CC1)O MCULE-7768871656 [0,1,0,0,0,0|2,0,0]=3 162 B6R1.8 C=C1CC1CO MCULE-4338601055 [0,1,0,0,0,0|2,0,0]=3 163 B6R1.8 CC1CC1C#N MCULE-4373618430 [0,1,0,0,0,0|2,0,1]=4 164 B6R1.8 CC1CC1C=O MCULE-2600627355 [0,1,0,0,0,0|2,0,1]=4 165 B6R1.8 CC1CC1CN MCULE-2810102174 [0,1,0,0,0,0|2,0,0]=3 166 B6R1.8 CC1CC1CN MCULE-7518062300 [0,1,0,0,0,0|2,0,0]=3 167 B6R1.8 CC1CC1CO MCULE-5196594569 [0,1,0,0,0,0|2,0,0]=3 168 B6R1.8 CC1OC1CBr MCULE-3133107383 [0,1,0,0,0,0|0,1,0]=2 169 B6R1.8 CC1OC1CO MCULE-1680425960 [0,1,0,0,0,0|1,0,0]=2 170 B6R1.8 CCC1CC1N MCULE-6304873051 [0,1,0,0,0,0|2,0,0]=3 171 B6R1.8 CC[C@@H]1C[C@@H]1N MCULE-9218626187 [0,1,0,0,0,0|2,0,0]=3 172 B6R1.8 CC[C@@H]1C[C@H]1N MCULE-5365117215 [0,1,0,0,0,0|2,0,0]=3 173 B6R1.8 CC[C@@H]1C[C@H]1N MCULE-9993971387 [0,1,0,0,0,0|2,0,0]=3 174 B6R1.8 CC[C@H]1C[C@@H]1N MCULE-5971477946 [0,1,0,0,0,0|2,0,0]=3 175 B6R1.8 CC[C@H]1C[C@H]1N MCULE-4387456908 [0,1,0,0,0,0|2,0,0]=3 176 B6R1.8 COC1CC1N MCULE-6836691149 [0,1,0,0,0,0|3,0,0]=4 177 B6R1.8 COC1CC1N MCULE-9062056960 [0,1,0,0,0,0|3,0,0]=4 178 B6R1.8 CO[C@@H]1C[C@@H]1N MCULE-6456572695 [0,1,0,0,0,0|3,0,0]=4 179 B6R1.8 CO[C@@H]1C[C@@H]1N MCULE-9755300484 [0,1,0,0,0,0|3,0,0]=4 180 B6R1.8 CO[C@@H]1C[C@H]1N MCULE-3862342520 [0,1,0,0,0,0|3,0,0]=4 181 B6R1.8 CO[C@@H]1C[C@H]1N MCULE-4120361377 [0,1,0,0,0,0|3,0,0]=4 182 B6R1.8 CO[C@H]1C[C@@H]1N MCULE-6295001950 [0,1,0,0,0,0|3,0,0]=4 183 B6R1.8 CO[C@H]1C[C@@H]1N MCULE-7524472312 [0,1,0,0,0,0|3,0,0]=4 184 B6R1.8 CO[C@H]1C[C@H]1N MCULE-3000810470 [0,1,0,0,0,0|3,0,0]=4 185 B6R1.8 CO[C@H]1C[C@H]1N MCULE-6255571706 [0,1,0,0,0,0|3,0,0]=4 186 B6R1.8 C[C@@H]1C[C@@H]1CN MCULE-5971817939 [0,1,0,0,0,0|2,0,0]=3 187 B6R1.8 C[C@@H]1C[C@@H]1CO MCULE-7143685612 [0,1,0,0,0,0|2,0,0]=3 188 B6R1.8 C[C@@H]1C[C@H]1CN MCULE-3418148363 [0,1,0,0,0,0|2,0,0]=3 189 B6R1.8 C[C@@H]1C[C@H]1CN MCULE-3519756910 [0,1,0,0,0,0|2,0,0]=3 190 B6R1.8 C[C@@H]1C[C@H]1CN MCULE-3649923384 [0,1,0,0,0,0|2,0,0]=3 191 B6R1.8 C[C@@H]1C[C@H]1CN MCULE-8330237030 [0,1,0,0,0,0|2,0,0]=3 192 B6R1.8 C[C@@H]1C[C@H]1CO MCULE-3741611930 [0,1,0,0,0,0|2,0,0]=3 193 B6R1.8 C[C@H]1C[C@@H]1CN MCULE-9856477951 [0,1,0,0,0,0|2,0,0]=3 194 B6R1.8 C[C@H]1C[C@@H]1CO MCULE-2846304871 [0,1,0,0,0,0|2,0,0]=3 195 B6R1.8 C[C@H]1C[C@@H]1CO MCULE-9275931471 [0,1,0,0,0,0|2,0,0]=3 196 B6R1.8 C[C@H]1C[C@H]1CN MCULE-4949172422 [0,1,0,0,0,0|2,0,0]=3 197 B6R1.8 C[C@H]1C[C@H]1CO MCULE-3828120088 [0,1,0,0,0,0|2,0,0]=3 198 B6R1.8 C[C@H]1C[C@H]1CO MCULE-8442952820 [0,1,0,0,0,0|2,0,0]=3 199 B6R1.8 N#CC1CC1N MCULE-2917743786 [0,1,0,0,0,0|2,0,1]=4 200 B6R1.8 N#CC1CC1N MCULE-6566554188 [0,1,0,0,0,0|2,0,1]=4 201 B6R1.8 N#C[C@@H]1C[C@@H]1F MCULE-1410853829 [0,1,0,0,0,0|2,0,1]=4 202 B6R1.8 N#C[C@H]1C[C@@H]1F MCULE-4546872877 [0,1,0,0,0,0|2,0,1]=4 203 B6R1.8 N#C[C@H]1C[C@@H]1F MCULE-5765890863 [0,1,0,0,0,0|2,0,1]=4 204 B6R1.8 N#C[C@H]1C[C@H]1F MCULE-4724318472 [0,1,0,0,0,0|2,0,1]=4 205 B6R1.8 NC1CC1CO MCULE-7666097515 [0,1,0,0,0,0|2,0,0]=3 206 B6R1.8 NCC1CC1N MCULE-4864283129 [0,1,0,0,0,0|2,0,0]=3 207 B6R1.8 NCC1CC1N MCULE-7029010792 [0,1,0,0,0,0|2,0,0]=3 208 B6R1.8 O=CC1CC1Cl MCULE-5539872961 [0,1,0,0,0,0|2,0,1]=4 209 B6R1.8 OCC1CC1Cl MCULE-1321755136 [0,1,0,0,0,0|2,0,0]=3 210 B6R1.8 OCC1C[C@@H]1F MCULE-2637570432 [0,1,0,0,0,0|2,0,0]=3 211 B6R1.8 OC[C@@H]1C[C@@H]1F MCULE-9090620006 [0,1,0,0,0,0|2,0,0]=3 212 B6R1.8 OC[C@@H]1C[C@H]1Br MCULE-8344332753 [0,1,0,0,0,0|2,0,0]=3 213 B6R1.8 OC[C@@H]1C[C@H]1F MCULE-6282037947 [0,1,0,0,0,0|2,0,0]=3 214 B6R1.8 OC[C@@H]1C[C@H]1F MCULE-8944803823 [0,1,0,0,0,0|2,0,0]=3 215 B6R1.8 OC[C@H]1C[C@@H]1F MCULE-3157094299 [0,1,0,0,0,0|2,0,0]=3 216 B6R1.11 C=C(C)C1CO1 MCULE-3656533343 [0,1,0,0,0,0|1,0,1]=3 217 B6R1.11 C=C(Cl)C1CO1 MCULE-5190310903 [0,1,0,0,0,0|0,0,1]=2 218 B6R1.11 CC(=O)C1CC1 MCULE-3846146416 [0,1,0,0,0,0|2,0,1]=4 219 B6R1.11 CC(=O)C1CO1 MCULE-4329154079 [0,1,0,0,0,0|1,0,1]=3 220 B6R1.11 CC(C)C1CO1 MCULE-6294069717 [0,1,0,0,0,0|1,0,0]=2 221 B6R1.11 CC(C)[C@@H]1CO1 MCULE-9181831987 [0,1,0,0,0,0|1,0,0]=2 222 B6R1.11 CC(C)[C@H]1CO1 MCULE-1978831452 [0,1,0,0,0,0|1,0,0]=2 223 B6R1.11 CC(Cl)C1CC1 MCULE-7361335709 [0,1,0,0,0,0|1,0,0]=2 224 B6R1.11 CC(N)C1CC1 MCULE-2052303800 [0,1,0,0,0,0|2,0,0]=3 225 B6R1.11 CC(N)C1CC1 MCULE-3007763115 [0,1,0,0,0,0|2,0,0]=3 226 B6R1.11 CC(N)C1CC1 MCULE-3459276996 [0,1,0,0,0,0|2,0,0]=3 227 B6R1.11 CC(N)C1CC1 MCULE-6761961556 [0,1,0,0,0,0|2,0,0]=3 228 B6R1.11 CC(O)C1CC1 MCULE-8628810684 [0,1,0,0,0,0|2,0,0]=3 229 B6R1.11 CC(O)C1CO1 MCULE-2044990126 [0,1,0,0,0,0|1,0,0]=2 230 B6R1.11 CN(C)C1CC1 MCULE-5891640069 [0,1,0,0,0,0|3,0,0]=4 231 B6R1.11 CN(C)C1CC1 MCULE-6751529979 [0,1,0,0,0,0|3,0,0]=4 232 B6R1.11 CN(N)C1CC1 MCULE-4590166937 [0,1,0,0,0,0|3,0,0]=4 233 B6R1.11 CN(N)C1CC1 MCULE-7317282450 [0,1,0,0,0,0|3,0,0]=4 234 B6R1.11 C[C@@H](N)C1CC1 MCULE-2097889079 [0,1,0,0,0,0|2,0,0]=3 235 B6R1.11 C[C@@H](N)C1CC1 MCULE-3667125695 [0,1,0,0,0,0|2,0,0]=3 236 B6R1.11 C[C@@H](N)C1CC1 MCULE-4529741221 [0,1,0,0,0,0|2,0,0]=3 237 B6R1.11 C[C@@H](N)C1CC1 MCULE-4996656085 [0,1,0,0,0,0|2,0,0]=3 238 B6R1.11 C[C@@H](O)C1CC1 MCULE-8359847821 [0,1,0,0,0,0|2,0,0]=3 239 B6R1.11 C[C@H](N)C1CC1 MCULE-5080052640 [0,1,0,0,0,0|2,0,0]=3 240 B6R1.11 C[C@H](N)C1CC1 MCULE-8331040870 [0,1,0,0,0,0|2,0,0]=3 241 B6R1.11 C[C@H](N)C1CC1 MCULE-8367240790 [0,1,0,0,0,0|2,0,0]=3 242 B6R1.11 C[C@H](N)C1CC1 MCULE-8726268701 [0,1,0,0,0,0|2,0,0]=3 243 B6R1.11 C[C@H](O)C1CC1 MCULE-2458075152 [0,1,0,0,0,0|2,0,0]=3 244 B6R1.11 N=C(N)C1CC1 MCULE-1244673727 [0,1,0,0,0,0|2,0,1]=4 245 B6R1.11 N=C(N)C1CC1 MCULE-2494860413 [0,1,0,0,0,0|2,0,1]=4 246 B6R1.11 NC(=O)C1CC1 MCULE-9911054913 [0,1,0,0,0,0|2,0,1]=4 247 B6R1.11 NC(=O)C1CO1 MCULE-6911744868 [0,1,0,0,0,0|1,0,1]=3 248 B6R1.11 NC(=S)C1CC1 MCULE-7304936539 [0,1,0,0,0,0|2,0,1]=4 249 B6R1.11 O=C(Cl)C1CC1 MCULE-8675746452 [0,1,0,0,0,0|1,0,1]=3 250 B6R1.11 O=C(O)C1CC1 MCULE-4677373694 [0,1,0,0,0,0|2,0,1]=4 251 B6R1.11 O=C(O)C1CN1 MCULE-3236125597 [0,1,0,0,0,0|2,0,1]=4 252 B6R1.11 O=C(O)C1CO1 MCULE-2152916793 [0,1,0,0,0,0|1,0,1]=3 253 B6R1.11 O=C(O)[C@@H]1CN1 MCULE-4363753412 [0,1,0,0,0,0|2,0,1]=4 254 B6R1.11 O=C(O)[C@H]1CN1 MCULE-4830347195 [0,1,0,0,0,0|2,0,1]=4 255 B6R1.11 O=C(O)[C@H]1CO1 MCULE-5204459723 [0,1,0,0,0,0|1,0,1]=3 256 B6R1.11 O=C(O)[C@H]1CO1 MCULE-6983707093 [0,1,0,0,0,0|1,0,1]=3 257 B6R1.11 O=C([O-])C1CN1 MCULE-6490437892 [0,1,0,0,0,0|2,0,1]=4 258 B6R1.11 O=C([O-])C1CO1 MCULE-4586459966 [0,1,0,0,0,0|1,0,1]=3 259 B6R1.11 O=C([O-])[C@@H]1CO1 MCULE-1647975669 [0,1,0,0,0,0|1,0,1]=3 260 B6R1.11 O=C([O-])[C@@H]1CO1 MCULE-1906997950 [0,1,0,0,0,0|1,0,1]=3 261 B6R1.11 O=C([O-])[C@@H]1CO1 MCULE-4899800766 [0,1,0,0,0,0|1,0,1]=3 262 B6R1.11 O=C([O-])[C@@H]1CO1 MCULE-9148170094 [0,1,0,0,0,0|1,0,1]=3 263 B6R1.11 O=C([O-])[C@H]1CO1 MCULE-6663734494 [0,1,0,0,0,0|1,0,1]=3 264 B6R1.11 O=C([O-])[C@H]1CO1 MCULE-8580451361 [0,1,0,0,0,0|1,0,1]=3 265 B6R1.11 O=S(O)C1CC1 MCULE-1616243918 [0,1,0,0,0,0|3,0,0]=4 266 B6R1.11 O=S([O-])C1CC1 MCULE-9446364072 [0,1,0,0,0,0|3,0,0]=4 267 B6R1.11 OB(O)C1CC1 MCULE-5364427631 [0,1,0,0,0,0|3,0,0]=4 268 B4R0.1 BrCC(Br)Br MCULE-1904439252 [0,0,1,0,0,0|2,1,0]=4 269 B4R0.1 C#CC(C)Br MCULE-6701225038 [0,0,1,0,0,0|2,0,1]=4 270 B4R0.1 C#CC(C)C MCULE-4600802925 [0,0,1,0,0,0|2,0,1]=4 271 B4R0.1 C#CC(C)Cl MCULE-2069451312 [0,0,1,0,0,0|2,0,1]=4 272 B4R0.1 C#CC(C)N MCULE-5174459541 [0,0,1,0,0,0|2,0,1]=4 273 B4R0.1 C#CC(C)N MCULE-7552261137 [0,0,1,0,0,0|2,0,1]=4 274 B4R0.1 C#CC(C)N MCULE-8458008104 [0,0,1,0,0,0|2,0,1]=4 275 B4R0.1 C#CC(C)N MCULE-8872781976 [0,0,1,0,0,0|2,0,1]=4 276 B4R0.1 C#CC(C)O MCULE-6692690957 [0,0,1,0,0,0|1,0,1]=3 277 B4R0.1 C#CC(C)O MCULE-8115962170 [0,0,1,0,0,0|1,0,1]=3 278 B4R0.1 C#C[C@@H](C)N MCULE-1688945745 [0,0,1,0,0,0|2,0,1]=4 279 B4R0.1 C#C[C@@H](C)N MCULE-2648127023 [0,0,1,0,0,0|2,0,1]=4 280 B4R0.1 C#C[C@@H](C)N MCULE-4450167680 [0,0,1,0,0,0|2,0,1]=4 281 B4R0.1 C#C[C@@H](C)N MCULE-5940189329 [0,0,1,0,0,0|2,0,1]=4 282 B4R0.1 C#C[C@@H](C)O MCULE-3014030718 [0,0,1,0,0,0|1,0,1]=3 283 B4R0.1 C#C[C@@H](C)O MCULE-5925379513 [0,0,1,0,0,0|1,0,1]=3 284 B4R0.1 C#C[C@H](C)N MCULE-1256303297 [0,0,1,0,0,0|2,0,1]=4 285 B4R0.1 C#C[C@H](C)N MCULE-4223264163 [0,0,1,0,0,0|2,0,1]=4 286 B4R0.1 C#C[C@H](C)N MCULE-9450573338 [0,0,1,0,0,0|2,0,1]=4 287 B4R0.1 C#C[C@H](C)N MCULE-9795039145 [0,0,1,0,0,0|2,0,1]=4 288 B4R0.1 C#C[C@H](C)O MCULE-3264536845 [0,0,1,0,0,0|1,0,1]=3 289 B4R0.1 C(C)(N)CN MCULE-5877041140 [0,0,1,0,0,0|2,0,0]=3 290 B4R0.1 C(C)(N)CO MCULE-5844242932 [0,0,1,0,0,0|2,0,0]=3 291 B4R0.1 C=C(C)CBr MCULE-1361893863 [0,0,1,0,0,0|1,1,1]=4 292 B4R0.1 C=C(C)CCl MCULE-5586406339 [0,0,1,0,0,0|1,0,1]=3 293 B4R0.1 C=C(C)CI MCULE-3678124406 [0,0,1,0,0,0|1,1,1]=4 294 B4R0.1 C=C(C)CN MCULE-1033495975 [0,0,1,0,0,0|2,0,1]=4 295 B4R0.1 C=C(C)CN MCULE-8730181300 [0,0,1,0,0,0|2,0,1]=4 296 B4R0.1 C=C(C)CO MCULE-8641288398 [0,0,1,0,0,0|2,0,1]=4 297 B4R0.1 C=C(C)CS MCULE-5174170431 [0,0,1,0,0,0|2,0,1]=4 298 B4R0.1 C=C(Cl)CCl MCULE-4210429118 [0,0,1,0,0,0|1,0,2]=4 299 B4R0.1 C=C(F)CCl MCULE-4499400030 [0,0,1,0,0,0|1,0,2]=4 300 B4R0.1 C=CC(C)Cl MCULE-1756172983 [0,0,1,0,0,0|2,0,1]=4 301 B4R0.1 C=CC(C)N MCULE-5748048106 [0,0,1,0,0,0|2,0,1]=4 302 B4R0.1 C=CC(C)N MCULE-6786590923 [0,0,1,0,0,0|2,0,1]=4 303 B4R0.1 C=CC(C)O MCULE-4525368256 [0,0,1,0,0,0|1,0,1]=3 304 B4R0.1 C=C[C@@H](C)N MCULE-4388444035 [0,0,1,0,0,0|2,0,1]=4 305 B4R0.1 C=C[C@@H](C)N MCULE-6107415849 [0,0,1,0,0,0|2,0,1]=4 306 B4R0.1 C=C[C@@H](C)N MCULE-6707490046 [0,0,1,0,0,0|2,0,1]=4 307 B4R0.1 C=C[C@@H](C)N MCULE-9654995108 [0,0,1,0,0,0|2,0,1]=4 308 B4R0.1 C=C[C@H](C)N MCULE-1396113041 [0,0,1,0,0,0|2,0,1]=4 309 B4R0.1 C=C[C@H](C)N MCULE-2197513722 [0,0,1,0,0,0|2,0,1]=4 310 B4R0.1 C=C[C@H](C)N MCULE-4698235480 [0,0,1,0,0,0|2,0,1]=4 311 B4R0.1 C=C[C@H](C)N MCULE-8745929233 [0,0,1,0,0,0|2,0,1]=4 312 B4R0.1 C=C[C@H](C)O MCULE-2251589245 [0,0,1,0,0,0|1,0,1]=3 313 B4R0.1 CC(=CCl)C MCULE-4321554138 [0,0,1,0,0,0|1,0,2]=4 314 B4R0.1 CC(=CCl)Cl MCULE-3528888685 [0,0,1,0,0,0|1,0,2]=4 315 B4R0.1 CC(=O)CBr MCULE-7812920675 [0,0,1,0,0,0|0,1,2]=4 316 B4R0.1 CC(=O)CCl MCULE-2501365933 [0,0,1,0,0,0|0,0,2]=3 317 B4R0.1 CC(=O)CF MCULE-7417279999 [0,0,1,0,0,0|0,1,2]=4 318 B4R0.1 CC(=O)CN MCULE-2715277783 [0,0,1,0,0,0|1,0,2]=4 319 B4R0.1 CC(=O)CN MCULE-6004541862 [0,0,1,0,0,0|1,0,2]=4 320 B4R0.1 CC(=O)CO MCULE-2989526028 [0,0,1,0,0,0|1,0,2]=4 321 B4R0.1 CC(=O)CS MCULE-9736174016 [0,0,1,0,0,0|1,0,2]=4 322 B4R0.1 CC(Br)C#N MCULE-2994851090 [0,0,1,0,0,0|2,0,1]=4 323 B4R0.1 CC(Br)C=O MCULE-6060704330 [0,0,1,0,0,0|2,0,1]=4 324 B4R0.1 CC(Br)CBr MCULE-6304574748 [0,0,1,0,0,0|1,1,0]=3 325 B4R0.1 CC(Br)CCl MCULE-8021380791 [0,0,1,0,0,0|1,0,0]=2 326 B4R0.1 CC(Br)CN MCULE-5214613046 [0,0,1,0,0,0|2,0,0]=3 327 B4R0.1 CC(Br)CN MCULE-6326218362 [0,0,1,0,0,0|2,0,0]=3 328 B4R0.1 CC(Br)CO MCULE-8344365003 [0,0,1,0,0,0|2,0,0]=3 329 B4R0.1 CC(C)C#N MCULE-8390118776 [0,0,1,0,0,0|2,0,1]=4 330 B4R0.1 CC(C)C=O MCULE-3575731904 [0,0,1,0,0,0|2,0,1]=4 331 B4R0.1 CC(C)CBr MCULE-6039420480 [0,0,1,0,0,0|1,1,0]=3 332 B4R0.1 CC(C)CCl MCULE-6524976746 [0,0,1,0,0,0|1,0,0]=2 333 B4R0.1 CC(C)CI MCULE-5280589461 [0,0,1,0,0,0|1,1,0]=3 334 B4R0.1 CC(C)CN MCULE-2158650588 [0,0,1,0,0,0|2,0,0]=3 335 B4R0.1 CC(C)CN MCULE-6751437658 [0,0,1,0,0,0|2,0,0]=3 336 B4R0.1 CC(C)CN MCULE-8319193456 [0,0,1,0,0,0|2,0,0]=3 337 B4R0.1 CC(C)CN MCULE-8705657065 [0,0,1,0,0,0|2,0,0]=3 338 B4R0.1 CC(C)CO MCULE-6294327194 [0,0,1,0,0,0|2,0,0]=3 339 B4R0.1 CC(C)CP MCULE-3724358658 [0,0,1,0,0,0|2,0,0]=3 340 B4R0.1 CC(C)CS MCULE-7978911055 [0,0,1,0,0,0|2,0,0]=3 341 B4R0.1 CC(C)NN MCULE-4673953224 [0,0,1,0,0,0|3,0,0]=4 342 B4R0.1 CC(C)NN MCULE-7901160798 [0,0,1,0,0,0|3,0,0]=4 343 B4R0.1 CC(C)NN MCULE-9473118288 [0,0,1,0,0,0|3,0,0]=4 344 B4R0.1 CC(C)NO MCULE-6516566403 [0,0,1,0,0,0|3,0,0]=4 345 B4R0.1 CC(C)NO MCULE-8545146035 [0,0,1,0,0,0|3,0,0]=4 346 B4R0.1 CC(C)ON MCULE-4063407094 [0,0,1,0,0,0|3,0,0]=4 347 B4R0.1 CC(C)ON MCULE-9108231771 [0,0,1,0,0,0|3,0,0]=4 348 B4R0.1 CC(C)O[NH3+] MCULE-7527132972 [0,0,1,0,0,0|3,0,0]=4 349 B4R0.1 CC(C)O[NH3+] MCULE-8847326857 [0,0,1,0,0,0|3,0,0]=4 350 B4R0.1 CC(Cl)C#N MCULE-9841634909 [0,0,1,0,0,0|2,0,1]=4 351 B4R0.1 CC(Cl)CBr MCULE-8474943880 [0,0,1,0,0,0|1,1,0]=3 352 B4R0.1 CC(Cl)CCl MCULE-1548912109 [0,0,1,0,0,0|1,0,0]=2 353 B4R0.1 CC(Cl)CN MCULE-2637316379 [0,0,1,0,0,0|2,0,0]=3 354 B4R0.1 CC(Cl)CN MCULE-5591419030 [0,0,1,0,0,0|2,0,0]=3 355 B4R0.1 CC(Cl)CO MCULE-3857255988 [0,0,1,0,0,0|2,0,0]=3 356 B4R0.1 CC(Cl)CO MCULE-7538548427 [0,0,1,0,0,0|2,0,0]=3 357 B4R0.1 CC(F)CN MCULE-6584490651 [0,0,1,0,0,0|2,0,0]=3 358 B4R0.1 CC(F)CN MCULE-9499916116 [0,0,1,0,0,0|2,0,0]=3 359 B4R0.1 CC(F)CO MCULE-6006763378 [0,0,1,0,0,0|2,0,0]=3 360 B4R0.1 CC(N)C#N MCULE-4008524363 [0,0,1,0,0,0|2,0,1]=4 361 B4R0.1 CC(N)C#N MCULE-8654767875 [0,0,1,0,0,0|2,0,1]=4 362 B4R0.1 CC(N)C=O MCULE-3421118418 [0,0,1,0,0,0|2,0,1]=4 363 B4R0.1 CC(N)CBr MCULE-1783493149 [0,0,1,0,0,0|1,1,0]=3 364 B4R0.1 CC(N)CBr MCULE-2775398297 [0,0,1,0,0,0|1,1,0]=3 365 B4R0.1 CC(N)CCl MCULE-8652434595 [0,0,1,0,0,0|1,0,0]=2 366 B4R0.1 CC(N)CCl MCULE-9580466630 [0,0,1,0,0,0|1,0,0]=2 367 B4R0.1 CC(N)CF MCULE-1603143200 [0,0,1,0,0,0|1,1,0]=3 368 B4R0.1 CC(N)CF MCULE-3787216870 [0,0,1,0,0,0|1,1,0]=3 369 B4R0.1 CC(N)CF MCULE-4138869746 [0,0,1,0,0,0|1,1,0]=3 370 B4R0.1 CC(N)CF MCULE-8611760275 [0,0,1,0,0,0|1,1,0]=3 371 B4R0.1 CC(N)CN MCULE-2119036110 [0,0,1,0,0,0|2,0,0]=3 372 B4R0.1 CC(N)CN MCULE-6286216576 [0,0,1,0,0,0|2,0,0]=3 373 B4R0.1 CC(N)CN MCULE-9919433465 [0,0,1,0,0,0|2,0,0]=3 374 B4R0.1 CC(N)CO MCULE-1361379423 [0,0,1,0,0,0|2,0,0]=3 375 B4R0.1 CC(N)CO MCULE-2098440985 [0,0,1,0,0,0|2,0,0]=3 376 B4R0.1 CC(N)CS MCULE-1396853557 [0,0,1,0,0,0|2,0,0]=3 377 B4R0.1 CC(N)CS MCULE-4094732666 [0,0,1,0,0,0|2,0,0]=3 378 B4R0.1 CC(O)C#N MCULE-3166802314 [0,0,1,0,0,0|1,0,1]=3 379 B4R0.1 CC(O)CBr MCULE-7835094737 [0,0,1,0,0,0|0,1,0]=2 380 B4R0.1 CC(O)CCl MCULE-9140807958 [0,0,1,0,0,0|0,0,0]=1 381 B4R0.1 CC(O)CF MCULE-1023052065 [0,0,1,0,0,0|0,1,0]=2 382 B4R0.1 CC(O)CN MCULE-4370440652 [0,0,1,0,0,0|1,0,0]=2 383 B4R0.1 CC(O)CN MCULE-5694317743 [0,0,1,0,0,0|1,0,0]=2 384 B4R0.1 CC(O)CN MCULE-6406041538 [0,0,1,0,0,0|1,0,0]=2 385 B4R0.1 CC(O)CN MCULE-6636652305 [0,0,1,0,0,0|1,0,0]=2 386 B4R0.1 CC(O)CO MCULE-5574440784 [0,0,1,0,0,0|1,0,0]=2 387 B4R0.1 CC(O)CO MCULE-8743139013 [0,0,1,0,0,0|1,0,0]=2 388 B4R0.1 CC(O)CS MCULE-7881083356 [0,0,1,0,0,0|1,0,0]=2 389 B4R0.1 CC(O)C[NH3+] MCULE-6871369474 [0,0,1,0,0,0|1,0,0]=2 390 B4R0.1 CC(S)CN MCULE-1957568322 [0,0,1,0,0,0|1,1,0]=3 391 B4R0.1 CC(S)CN MCULE-7469442412 [0,0,1,0,0,0|1,1,0]=3 392 B4R0.1 CC(S)CO MCULE-5090908062 [0,0,1,0,0,0|1,1,0]=3 393 B4R0.1 CC(S)CS MCULE-9264694858 [0,0,1,0,0,0|1,1,0]=3 394 B4R0.1 CCB(O)O MCULE-1650960999 [0,0,1,0,0,0|3,0,0]=4 395 B4R0.1 CCC(=O)C MCULE-8276670748 [0,0,1,0,0,0|1,0,2]=4 396 B4R0.1 CCC(=O)O MCULE-2199051150 [0,0,1,0,0,0|2,0,1]=4 397 B4R0.1 CCC(=O)O MCULE-9800054040 [0,0,1,0,0,0|2,0,1]=4 398 B4R0.1 CCC(C)Br MCULE-9661620259 [0,0,1,0,0,0|2,0,0]=3 399 B4R0.1 CCC(C)C MCULE-5376105936 [0,0,1,0,0,0|2,0,0]=3 400 B4R0.1 CCC(C)Cl MCULE-2954418486 [0,0,1,0,0,0|2,0,0]=3 401 B4R0.1 CCC(C)I MCULE-5239699587 [0,0,1,0,0,0|2,0,0]=3 402 B4R0.1 CCC(C)N MCULE-5041676035 [0,0,1,0,0,0|2,0,0]=3 403 B4R0.1 CCC(C)N MCULE-5835091553 [0,0,1,0,0,0|2,0,0]=3 404 B4R0.1 CCC(C)N MCULE-6631606230 [0,0,1,0,0,0|2,0,0]=3 405 B4R0.1 CCC(C)N MCULE-8165681721 [0,0,1,0,0,0|2,0,0]=3 406 B4R0.1 CCC(C)O MCULE-4099350806 [0,0,1,0,0,0|1,0,0]=2 407 B4R0.1 CCC(C)O MCULE-5005120003 [0,0,1,0,0,0|1,0,0]=2 408 B4R0.1 CCC(C)S MCULE-4988033753 [0,0,1,0,0,0|1,1,0]=3 409 B4R0.1 CCN(C)C MCULE-5825033552 [0,0,1,0,0,0|3,0,0]=4 410 B4R0.1 CCN(C)N MCULE-2279492356 [0,0,1,0,0,0|3,0,0]=4 411 B4R0.1 CCN(C)N MCULE-5660338703 [0,0,1,0,0,0|3,0,0]=4 412 B4R0.1 CCN(C)N MCULE-9839987578 [0,0,1,0,0,0|3,0,0]=4 413 B4R0.1 CCS(=O)C MCULE-4400935745 [0,0,1,0,0,0|2,0,1]=4 414 B4R0.1 CCS(=O)O MCULE-9872932319 [0,0,1,0,0,0|3,0,0]=4 415 B4R0.1 CC[C@@H](C)N MCULE-2017255826 [0,0,1,0,0,0|2,0,0]=3 416 B4R0.1 CC[C@@H](C)N MCULE-3555707512 [0,0,1,0,0,0|2,0,0]=3 417 B4R0.1 CC[C@@H](C)N MCULE-6783735598 [0,0,1,0,0,0|2,0,0]=3 418 B4R0.1 CC[C@@H](C)N MCULE-7004219201 [0,0,1,0,0,0|2,0,0]=3 419 B4R0.1 CC[C@@H](C)O MCULE-2661481448 [0,0,1,0,0,0|1,0,0]=2 420 B4R0.1 CC[C@@H](C)O MCULE-6785232833 [0,0,1,0,0,0|1,0,0]=2 421 B4R0.1 CC[C@H](C)N MCULE-2450201533 [0,0,1,0,0,0|2,0,0]=3 422 B4R0.1 CC[C@H](C)N MCULE-2998961427 [0,0,1,0,0,0|2,0,0]=3 423 B4R0.1 CC[C@H](C)N MCULE-6692190471 [0,0,1,0,0,0|2,0,0]=3 424 B4R0.1 CC[C@H](C)N MCULE-6904795465 [0,0,1,0,0,0|2,0,0]=3 425 B4R0.1 CC[C@H](C)O MCULE-3700911573 [0,0,1,0,0,0|1,0,0]=2 426 B4R0.1 CC[C@H](C)O MCULE-6063716138 [0,0,1,0,0,0|1,0,0]=2 427 B4R0.1 CN(C)CCl MCULE-4906480184 [0,0,1,0,0,0|2,0,0]=3 428 B4R0.1 CN(C)CCl MCULE-5465672480 [0,0,1,0,0,0|2,0,0]=3 429 B4R0.1 CNC(C)C MCULE-3849513543 [0,0,1,0,0,0|3,0,0]=4 430 B4R0.1 COC(C)Cl MCULE-9043930044 [0,0,1,0,0,0|3,0,0]=4 431 B4R0.1 CSC(C)C MCULE-5932565699 [0,0,1,0,0,0|3,0,0]=4 432 B4R0.1 C[C@@H](Cl)CO MCULE-4834664531 [0,0,1,0,0,0|2,0,0]=3 433 B4R0.1 C[C@@H](Cl)CO MCULE-8797955903 [0,0,1,0,0,0|2,0,0]=3 434 B4R0.1 C[C@@H](F)CO MCULE-3312305972 [0,0,1,0,0,0|2,0,0]=3 435 B4R0.1 C[C@@H](F)CO MCULE-4754825872 [0,0,1,0,0,0|2,0,0]=3 436 B4R0.1 C[C@@H](N)C#N MCULE-4366493733 [0,0,1,0,0,0|2,0,1]=4 437 B4R0.1 C[C@@H](N)C#N MCULE-4475438132 [0,0,1,0,0,0|2,0,1]=4 438 B4R0.1 C[C@@H](N)C#N MCULE-8152568021 [0,0,1,0,0,0|2,0,1]=4 439 B4R0.1 C[C@@H](N)C#N MCULE-9327848803 [0,0,1,0,0,0|2,0,1]=4 440 B4R0.1 C[C@@H](N)CF MCULE-2227343602 [0,0,1,0,0,0|1,1,0]=3 441 B4R0.1 C[C@@H](N)CF MCULE-2283243747 [0,0,1,0,0,0|1,1,0]=3 442 B4R0.1 C[C@@H](N)CF MCULE-6326763354 [0,0,1,0,0,0|1,1,0]=3 443 B4R0.1 C[C@@H](N)CF MCULE-6630824972 [0,0,1,0,0,0|1,1,0]=3 444 B4R0.1 C[C@@H](N)CN MCULE-5207840256 [0,0,1,0,0,0|2,0,0]=3 445 B4R0.1 C[C@@H](N)CN MCULE-5332214014 [0,0,1,0,0,0|2,0,0]=3 446 B4R0.1 C[C@@H](N)CN MCULE-7816211809 [0,0,1,0,0,0|2,0,0]=3 447 B4R0.1 C[C@@H](N)CN MCULE-7982492466 [0,0,1,0,0,0|2,0,0]=3 448 B4R0.1 C[C@@H](N)CO MCULE-5655560645 [0,0,1,0,0,0|2,0,0]=3 449 B4R0.1 C[C@@H](N)CO MCULE-8066658004 [0,0,1,0,0,0|2,0,0]=3 450 B4R0.1 C[C@@H](O)C=O MCULE-5921136435 [0,0,1,0,0,0|1,0,1]=3 451 B4R0.1 C[C@@H](O)CCl MCULE-4669677883 [0,0,1,0,0,0|0,0,0]=1 452 B4R0.1 C[C@@H](O)CCl MCULE-7670590902 [0,0,1,0,0,0|0,0,0]=1 453 B4R0.1 C[C@@H](O)CN MCULE-9301041927 [0,0,1,0,0,0|1,0,0]=2 454 B4R0.1 C[C@@H](O)CO MCULE-4464598400 [0,0,1,0,0,0|1,0,0]=2 455 B4R0.1 C[C@@H](O)CO MCULE-9914833832 [0,0,1,0,0,0|1,0,0]=2 456 B4R0.1 C[C@@H](O)CS MCULE-8817452889 [0,0,1,0,0,0|1,0,0]=2 457 B4R0.1 C[C@H](Cl)CO MCULE-6747279587 [0,0,1,0,0,0|2,0,0]=3 458 B4R0.1 C[C@H](Cl)CO MCULE-8509218918 [0,0,1,0,0,0|2,0,0]=3 459 B4R0.1 C[C@H](F)CO MCULE-1024261541 [0,0,1,0,0,0|2,0,0]=3 460 B4R0.1 C[C@H](F)CO MCULE-7028098137 [0,0,1,0,0,0|2,0,0]=3 461 B4R0.1 C[C@H](N)C#N MCULE-2449963253 [0,0,1,0,0,0|2,0,1]=4 462 B4R0.1 C[C@H](N)C#N MCULE-3624286995 [0,0,1,0,0,0|2,0,1]=4 463 B4R0.1 C[C@H](N)CF MCULE-1053227516 [0,0,1,0,0,0|1,1,0]=3 464 B4R0.1 C[C@H](N)CF MCULE-4024916343 [0,0,1,0,0,0|1,1,0]=3 465 B4R0.1 C[C@H](N)CF MCULE-6312285034 [0,0,1,0,0,0|1,1,0]=3 466 B4R0.1 C[C@H](N)CF MCULE-7630744199 [0,0,1,0,0,0|1,1,0]=3 467 B4R0.1 C[C@H](N)CN MCULE-2048837128 [0,0,1,0,0,0|2,0,0]=3 468 B4R0.1 C[C@H](N)CN MCULE-4105152552 [0,0,1,0,0,0|2,0,0]=3 469 B4R0.1 C[C@H](N)CN MCULE-7106390536 [0,0,1,0,0,0|2,0,0]=3 470 B4R0.1 C[C@H](N)CN MCULE-9863306005 [0,0,1,0,0,0|2,0,0]=3 471 B4R0.1 C[C@H](N)CO MCULE-2471107013 [0,0,1,0,0,0|2,0,0]=3 472 B4R0.1 C[C@H](N)CO MCULE-5424195678 [0,0,1,0,0,0|2,0,0]=3 473 B4R0.1 C[C@H](O)CCl MCULE-3018109825 [0,0,1,0,0,0|0,0,0]=1 474 B4R0.1 C[C@H](O)CCl MCULE-5836677540 [0,0,1,0,0,0|0,0,0]=1 475 B4R0.1 C[C@H](O)CN MCULE-3227371869 [0,0,1,0,0,0|1,0,0]=2 476 B4R0.1 C[C@H](O)CN MCULE-5480489257 [0,0,1,0,0,0|1,0,0]=2 477 B4R0.1 C[C@H](O)CO MCULE-6582852191 [0,0,1,0,0,0|1,0,0]=2 478 B4R0.1 C[C@H](O)CO MCULE-8074793296 [0,0,1,0,0,0|1,0,0]=2 479 B4R0.1 C[C@H](O)CS MCULE-9061842733 [0,0,1,0,0,0|1,0,0]=2 480 B4R0.1 C[N+](=CCl)C MCULE-5768539789 [0,0,1,0,0,0|2,0,1]=4 481 B4R0.1 C[N+](=CCl)C MCULE-6936774679 [0,0,1,0,0,0|2,0,1]=4 482 B4R0.1 ClC(Br)CBr MCULE-4330156086 [0,0,1,0,0,0|2,1,0]=4 483 B4R0.1 ClC(Cl)CBr MCULE-8368261609 [0,0,1,0,0,0|2,1,0]=4 484 B4R0.1 ClCC(Cl)Cl MCULE-9302905435 [0,0,1,0,0,0|2,0,0]=3 485 B4R0.1 FC(Br)CBr MCULE-2977436061 [0,0,1,0,0,0|2,1,0]=4 486 B4R0.1 FC(Cl)CCl MCULE-6531960916 [0,0,1,0,0,0|2,0,0]=3 487 B4R0.1 FC(F)CBr MCULE-5166579689 [0,0,1,0,0,0|2,1,0]=4 488 B4R0.1 FC(F)CI MCULE-4051435294 [0,0,1,0,0,0|2,1,0]=4 489 B4R0.1 FCC(F)Cl MCULE-7439685421 [0,0,1,0,0,0|2,1,0]=4 490 B4R0.1 N=C(N)CCl MCULE-1495198330 [0,0,1,0,0,0|2,0,1]=4 491 B4R0.1 N=C(N)CCl MCULE-2087468158 [0,0,1,0,0,0|2,0,1]=4 492 B4R0.1 NC(=O)CCl MCULE-3241549842 [0,0,1,0,0,0|1,0,2]=4 493 B4R0.1 NCC(=O)O MCULE-2415764032 [0,0,1,0,0,0|2,0,1]=4 494 B4R0.1 NCC(=O)O MCULE-3643110755 [0,0,1,0,0,0|2,0,1]=4 495 B4R0.1 NCC(=O)O MCULE-4349255299 [0,0,1,0,0,0|2,0,1]=4 496 B4R0.1 NCC(=O)O MCULE-9146223615 [0,0,1,0,0,0|2,0,1]=4 497 B4R0.1 NCC(=O)O MCULE-9701991737 [0,0,1,0,0,0|2,0,1]=4 498 B4R0.1 NCC(Cl)Cl MCULE-6022785182 [0,0,1,0,0,0|3,0,0]=4 499 B4R0.1 NCC(Cl)Cl MCULE-8181626787 [0,0,1,0,0,0|3,0,0]=4 500 B4R0.1 NCC(F)F MCULE-5562582586 [0,0,1,0,0,0|3,0,0]=4 501 B4R0.1 NCC(F)F MCULE-9437628707 [0,0,1,0,0,0|3,0,0]=4 502 B4R0.1 O=C(Cl)CCl MCULE-7076914635 [0,0,1,0,0,0|1,0,2]=4 503 B4R0.1 O=C(O)CBr MCULE-1503716137 [0,0,1,0,0,0|1,1,1]=4 504 B4R0.1 O=C(O)CCl MCULE-9228754880 [0,0,1,0,0,0|1,0,1]=3 505 B4R0.1 O=C(O)CF MCULE-6584094437 [0,0,1,0,0,0|1,1,1]=4 506 B4R0.1 O=C(O)CI MCULE-3146792857 [0,0,1,0,0,0|1,1,1]=4 507 B4R0.1 O=C(O)CO MCULE-9792551388 [0,0,1,0,0,0|2,0,1]=4 508 B4R0.1 O=C(O)CS MCULE-8097997001 [0,0,1,0,0,0|2,0,1]=4 509 B4R0.1 O=S(O)CO MCULE-4195832185 [0,0,1,0,0,0|3,0,0]=4 510 B4R0.1 OB(O)CCl MCULE-1740750359 [0,0,1,0,0,0|2,0,0]=3 511 B4R0.1 OCC(Cl)Cl MCULE-3279441180 [0,0,1,0,0,0|3,0,0]=4 512 B4R0.1 OCC(F)Br MCULE-5466660542 [0,0,1,0,0,0|3,0,0]=4 513 B4R0.1 OCC(F)F MCULE-3252378943 [0,0,1,0,0,0|3,0,0]=4 514 B4R0.1 P(=O)(O)CN MCULE-5441171864 [0,0,1,0,0,0|3,0,0]=4 515 B4R0.1 [C@@H](C)(O)C#C MCULE-8971134855 [0,0,1,0,0,0|1,0,1]=3 516 B4R0.1 [C@H](C)(O)CN MCULE-8212000072 [0,0,1,0,0,0|1,0,0]=2 517 B4R0.1 [NH3+]C(C)CC MCULE-3066898055 [0,0,1,0,0,0|2,0,0]=3 518 B4R0.2 BrCCCBr MCULE-6500110480 [0,0,1,0,0,0|1,1,0]=3 519 B4R0.2 BrCCCI MCULE-6470610840 [0,0,1,0,0,0|1,1,0]=3 520 B4R0.2 BrCOCBr MCULE-2371209322 [0,0,1,0,0,0|2,1,0]=4 521 B4R0.2 C#CCCBr MCULE-1495603480 [0,0,1,0,0,0|1,1,1]=4 522 B4R0.2 C#CCCC MCULE-1233806896 [0,0,1,0,0,0|2,0,1]=4 523 B4R0.2 C#CCCCl MCULE-5602517887 [0,0,1,0,0,0|1,0,1]=3 524 B4R0.2 C#CCCI MCULE-2832310719 [0,0,1,0,0,0|1,1,1]=4 525 B4R0.2 C#CCCN MCULE-1223656854 [0,0,1,0,0,0|2,0,1]=4 526 B4R0.2 C#CCCN MCULE-6408469965 [0,0,1,0,0,0|2,0,1]=4 527 B4R0.2 C#CCCO MCULE-1797559276 [0,0,1,0,0,0|1,0,1]=3 528 B4R0.2 C#CCCO MCULE-8743964065 [0,0,1,0,0,0|1,0,1]=3 529 B4R0.2 C#CCNC MCULE-9758975590 [0,0,1,0,0,0|2,0,1]=4 530 B4R0.2 C#CCNO MCULE-7210831528 [0,0,1,0,0,0|2,0,1]=4 531 B4R0.2 C#CCNO MCULE-8082854360 [0,0,1,0,0,0|2,0,1]=4 532 B4R0.2 C#CCOC MCULE-9172422462 [0,0,1,0,0,0|1,0,1]=3 533 B4R0.2 C#CCON MCULE-1220634713 [0,0,1,0,0,0|2,0,1]=4 534 B4R0.2 C#CCON MCULE-5781631200 [0,0,1,0,0,0|2,0,1]=4 535 B4R0.2 C#CCSC MCULE-6808040899 [0,0,1,0,0,0|1,1,1]=4 536 B4R0.2 C/C=C/CCl MCULE-9977493525 [0,0,1,0,0,0|1,0,1]=3 537 B4R0.2 C/C=C/CO MCULE-2383161163 [0,0,1,0,0,0|1,0,2]=4 538 B4R0.2 C/C=C/OC MCULE-3906920304 [0,0,1,0,0,0|1,0,2]=4 539 B4R0.2 C/C=C\CO MCULE-5924662327 [0,0,1,0,0,0|1,0,2]=4 540 B4R0.2 C=C=CCO MCULE-5424851896 [0,0,1,0,0,0|1,0,2]=4 541 B4R0.2 C=CCCBr MCULE-2890129103 [0,0,1,0,0,0|1,1,1]=4 542 B4R0.2 C=CCCC MCULE-8386546337 [0,0,1,0,0,0|2,0,1]=4 543 B4R0.2 C=CCCCl MCULE-5903789900 [0,0,1,0,0,0|1,0,1]=3 544 B4R0.2 C=CCCI MCULE-1055671394 [0,0,1,0,0,0|1,1,1]=4 545 B4R0.2 C=CCCN MCULE-2471716627 [0,0,1,0,0,0|2,0,1]=4 546 B4R0.2 C=CCCN MCULE-2881108697 [0,0,1,0,0,0|2,0,1]=4 547 B4R0.2 C=CCCO MCULE-4582400839 [0,0,1,0,0,0|1,0,1]=3 548 B4R0.2 C=CCNC MCULE-3335720336 [0,0,1,0,0,0|2,0,1]=4 549 B4R0.2 C=CCOC MCULE-3321225771 [0,0,1,0,0,0|1,0,1]=3 550 B4R0.2 C=CCON MCULE-2094787759 [0,0,1,0,0,0|2,0,1]=4 551 B4R0.2 C=CCON MCULE-6222602533 [0,0,1,0,0,0|2,0,1]=4 552 B4R0.2 C=CCSC MCULE-4452023915 [0,0,1,0,0,0|1,1,1]=4 553 B4R0.2 CC#CCBr MCULE-3596191560 [0,0,1,0,0,0|1,1,1]=4 554 B4R0.2 CC#CCC MCULE-8848779220 [0,0,1,0,0,0|2,0,1]=4 555 B4R0.2 CC#CCI MCULE-3596701582 [0,0,1,0,0,0|1,1,1]=4 556 B4R0.2 CC#CCN MCULE-7027146471 [0,0,1,0,0,0|2,0,1]=4 557 B4R0.2 CC#CCN MCULE-9570644542 [0,0,1,0,0,0|2,0,1]=4 558 B4R0.2 CC#CCO MCULE-5096552076 [0,0,1,0,0,0|1,0,2]=4 559 B4R0.2 CC=CCBr MCULE-7855581866 [0,0,1,0,0,0|1,1,1]=4 560 B4R0.2 CC=CCC MCULE-5931905453 [0,0,1,0,0,0|2,0,1]=4 561 B4R0.2 CC=CCCl MCULE-3941962217 [0,0,1,0,0,0|1,0,1]=3 562 B4R0.2 CC=CCO MCULE-7490725844 [0,0,1,0,0,0|1,0,2]=4 563 B4R0.2 CC=COC MCULE-6712403535 [0,0,1,0,0,0|1,0,2]=4 564 B4R0.2 CCC=NO MCULE-9457280654 [0,0,1,0,0,0|2,0,1]=4 565 B4R0.2 CCCC#N MCULE-8571076087 [0,0,1,0,0,0|2,0,1]=4 566 B4R0.2 CCCC=O MCULE-8530391347 [0,0,1,0,0,0|1,0,2]=4 567 B4R0.2 CCCCBr MCULE-3390217131 [0,0,1,0,0,0|1,1,0]=3 568 B4R0.2 CCCCC MCULE-4643148765 [0,0,1,0,0,0|2,0,0]=3 569 B4R0.2 CCCCCl MCULE-5329900290 [0,0,1,0,0,0|1,0,0]=2 570 B4R0.2 CCCCF MCULE-7225760858 [0,0,1,0,0,0|1,1,0]=3 571 B4R0.2 CCCCI MCULE-1160974720 [0,0,1,0,0,0|1,1,0]=3 572 B4R0.2 CCCCN MCULE-1731874934 [0,0,1,0,0,0|2,0,0]=3 573 B4R0.2 CCCCN MCULE-4233278050 [0,0,1,0,0,0|2,0,0]=3 574 B4R0.2 CCCCN MCULE-5242069370 [0,0,1,0,0,0|2,0,0]=3 575 B4R0.2 CCCCN MCULE-7343835253 [0,0,1,0,0,0|2,0,0]=3 576 B4R0.2 CCCCO MCULE-1571156443 [0,0,1,0,0,0|1,0,0]=2 577 B4R0.2 CCCCS MCULE-9441213933 [0,0,1,0,0,0|1,1,0]=3 578 B4R0.2 CCCNC MCULE-2266616259 [0,0,1,0,0,0|2,0,0]=3 579 B4R0.2 CCCNC MCULE-7722796872 [0,0,1,0,0,0|2,0,0]=3 580 B4R0.2 CCCNN MCULE-4121438775 [0,0,1,0,0,0|3,0,0]=4 581 B4R0.2 CCCNN MCULE-5875592228 [0,0,1,0,0,0|3,0,0]=4 582 B4R0.2 CCCNN MCULE-9585694661 [0,0,1,0,0,0|3,0,0]=4 583 B4R0.2 CCCOC MCULE-5854067718 [0,0,1,0,0,0|1,0,0]=2 584 B4R0.2 CCCON MCULE-4800172637 [0,0,1,0,0,0|2,0,0]=3 585 B4R0.2 CCCON MCULE-7988781002 [0,0,1,0,0,0|2,0,0]=3 586 B4R0.2 CCCSC MCULE-8387041737 [0,0,1,0,0,0|1,1,0]=3 587 B4R0.2 CCNCC MCULE-3395060353 [0,0,1,0,0,0|3,0,0]=4 588 B4R0.2 CCNCC MCULE-4374609736 [0,0,1,0,0,0|3,0,0]=4 589 B4R0.2 CCNCC MCULE-4555901025 [0,0,1,0,0,0|3,0,0]=4 590 B4R0.2 CCNCC MCULE-6895602113 [0,0,1,0,0,0|3,0,0]=4 591 B4R0.2 CCNOC MCULE-4797714235 [0,0,1,0,0,0|2,0,0]=3 592 B4R0.2 CCNOC MCULE-6486167423 [0,0,1,0,0,0|2,0,0]=3 593 B4R0.2 CCOCBr MCULE-6644755987 [0,0,1,0,0,0|2,1,0]=4 594 B4R0.2 CCOCC MCULE-5665709021 [0,0,1,0,0,0|3,0,0]=4 595 B4R0.2 CCOCCl MCULE-5087992840 [0,0,1,0,0,0|2,0,0]=3 596 B4R0.2 CCONC MCULE-5446312516 [0,0,1,0,0,0|3,0,0]=4 597 B4R0.2 CCONC MCULE-7976027802 [0,0,1,0,0,0|3,0,0]=4 598 B4R0.2 CCSCC MCULE-6480710239 [0,0,1,0,0,0|3,0,0]=4 599 B4R0.2 CCSCCl MCULE-3890542152 [0,0,1,0,0,0|2,0,0]=3 600 B4R0.2 CCSSC MCULE-9430585714 [0,0,1,0,0,0|2,1,0]=4 601 B4R0.2 CC[NH2+]CC MCULE-9899430356 [0,0,1,0,0,0|3,0,0]=4 602 B4R0.2 CNCC#N MCULE-1233170363 [0,0,1,0,0,0|2,0,1]=4 603 B4R0.2 CNCC#N MCULE-4334159739 [0,0,1,0,0,0|2,0,1]=4 604 B4R0.2 CNCC#N MCULE-8267124503 [0,0,1,0,0,0|2,0,1]=4 605 B4R0.2 CNCCBr MCULE-3708780806 [0,0,1,0,0,0|1,1,0]=3 606 B4R0.2 CNCCBr MCULE-6840755559 [0,0,1,0,0,0|1,1,0]=3 607 B4R0.2 CNCCCl MCULE-1666345560 [0,0,1,0,0,0|1,0,0]=2 608 B4R0.2 CNCCCl MCULE-8215813413 [0,0,1,0,0,0|1,0,0]=2 609 B4R0.2 CNCCF MCULE-3719880423 [0,0,1,0,0,0|1,1,0]=3 610 B4R0.2 CNCCF MCULE-3751701745 [0,0,1,0,0,0|1,1,0]=3 611 B4R0.2 CNCCI MCULE-7026781832 [0,0,1,0,0,0|1,1,0]=3 612 B4R0.2 CNCCI MCULE-8892686580 [0,0,1,0,0,0|1,1,0]=3 613 B4R0.2 CNCCN MCULE-2881688448 [0,0,1,0,0,0|2,0,0]=3 614 B4R0.2 CNCCN MCULE-7199403269 [0,0,1,0,0,0|2,0,0]=3 615 B4R0.2 CNCCO MCULE-7051900771 [0,0,1,0,0,0|2,0,0]=3 616 B4R0.2 CNCCO MCULE-7934732981 [0,0,1,0,0,0|2,0,0]=3 617 B4R0.2 CNCCS MCULE-6430516369 [0,0,1,0,0,0|2,0,0]=3 618 B4R0.2 COCC#N MCULE-9178522865 [0,0,1,0,0,0|1,0,1]=3 619 B4R0.2 COCC=O MCULE-9427361019 [0,0,1,0,0,0|1,0,1]=3 620 B4R0.2 COCCBr MCULE-8316331262 [0,0,1,0,0,0|0,1,0]=2 621 B4R0.2 COCCCl MCULE-8886627413 [0,0,1,0,0,0|0,0,0]=1 622 B4R0.2 COCCI MCULE-9391124374 [0,0,1,0,0,0|0,1,0]=2 623 B4R0.2 COCCN MCULE-5051556646 [0,0,1,0,0,0|1,0,0]=2 624 B4R0.2 COCCN MCULE-7519068386 [0,0,1,0,0,0|1,0,0]=2 625 B4R0.2 COCCO MCULE-4751927883 [0,0,1,0,0,0|1,0,0]=2 626 B4R0.2 COCCS MCULE-7803276094 [0,0,1,0,0,0|1,0,0]=2 627 B4R0.2 COCOC MCULE-8559076702 [0,0,1,0,0,0|2,0,0]=3 628 B4R0.2 COCON MCULE-6032854331 [0,0,1,0,0,0|2,0,0]=3 629 B4R0.2 CSCC#N MCULE-3607261611 [0,0,1,0,0,0|1,1,1]=4 630 B4R0.2 CSCCBr MCULE-1684461541 [0,0,1,0,0,0|0,2,0]=3 631 B4R0.2 CSCCCl MCULE-8593103756 [0,0,1,0,0,0|0,1,0]=2 632 B4R0.2 CSCCN MCULE-5168245255 [0,0,1,0,0,0|1,1,0]=3 633 B4R0.2 CSCCN MCULE-6275285732 [0,0,1,0,0,0|1,1,0]=3 634 B4R0.2 CSCCO MCULE-9706874325 [0,0,1,0,0,0|1,1,0]=3 635 B4R0.2 CSCSC MCULE-5603964020 [0,0,1,0,0,0|2,1,0]=4 636 B4R0.2 Cl/C=C/CCl MCULE-4516188972 [0,0,1,0,0,0|1,0,2]=4 637 B4R0.2 ClC/C=C/Br MCULE-1061414929 [0,0,1,0,0,0|1,0,2]=4 638 B4R0.2 ClC=CCCl MCULE-4655672652 [0,0,1,0,0,0|1,0,2]=4 639 B4R0.2 ClCCCBr MCULE-7937580875 [0,0,1,0,0,0|1,0,0]=2 640 B4R0.2 ClCCCCl MCULE-6693270397 [0,0,1,0,0,0|1,0,0]=2 641 B4R0.2 ClCCCI MCULE-1521526833 [0,0,1,0,0,0|1,0,0]=2 642 B4R0.2 ClCSCCl MCULE-5228778525 [0,0,1,0,0,0|2,0,0]=3 643 B4R0.2 FCCCBr MCULE-5674735753 [0,0,1,0,0,0|1,1,0]=3 644 B4R0.2 FCCCF MCULE-1803511350 [0,0,1,0,0,0|1,1,0]=3 645 B4R0.2 FCCCI MCULE-9287814857 [0,0,1,0,0,0|1,1,0]=3 646 B4R0.2 ICCCI MCULE-9849754168 [0,0,1,0,0,0|1,1,0]=3 647 B4R0.2 ICOCI MCULE-4901830231 [0,0,1,0,0,0|2,1,0]=4 648 B4R0.2 N#CCCBr MCULE-1744180602 [0,0,1,0,0,0|1,1,1]=4 649 B4R0.2 N#CCCCl MCULE-3511379481 [0,0,1,0,0,0|1,0,1]=3 650 B4R0.2 N#CCCI MCULE-1591942951 [0,0,1,0,0,0|1,1,1]=4 651 B4R0.2 N#CCCN MCULE-8482296338 [0,0,1,0,0,0|2,0,1]=4 652 B4R0.2 N#CCCN MCULE-9518086954 [0,0,1,0,0,0|2,0,1]=4 653 B4R0.2 N#CCCO MCULE-5098987368 [0,0,1,0,0,0|1,0,1]=3 654 B4R0.2 N#CCCS MCULE-7199964466 [0,0,1,0,0,0|1,1,1]=4 655 B4R0.2 N#CCNO MCULE-6808474875 [0,0,1,0,0,0|2,0,1]=4 656 B4R0.2 N#CCON MCULE-1849571406 [0,0,1,0,0,0|2,0,1]=4 657 B4R0.2 N#CCON MCULE-2156159928 [0,0,1,0,0,0|2,0,1]=4 658 B4R0.2 N#CSCCl MCULE-2916227294 [0,0,1,0,0,0|2,0,1]=4 659 B4R0.2 NCCCBr MCULE-5485748003 [0,0,1,0,0,0|1,1,0]=3 660 B4R0.2 NCCCBr MCULE-7072709972 [0,0,1,0,0,0|1,1,0]=3 661 B4R0.2 NCCCCl MCULE-1324157004 [0,0,1,0,0,0|1,0,0]=2 662 B4R0.2 NCCCCl MCULE-3667248190 [0,0,1,0,0,0|1,0,0]=2 663 B4R0.2 NCCCF MCULE-5215746973 [0,0,1,0,0,0|1,1,0]=3 664 B4R0.2 NCCCF MCULE-8077133369 [0,0,1,0,0,0|1,1,0]=3 665 B4R0.2 NCCCI MCULE-3534892097 [0,0,1,0,0,0|1,1,0]=3 666 B4R0.2 NCCCI MCULE-8010453546 [0,0,1,0,0,0|1,1,0]=3 667 B4R0.2 NCCCN MCULE-4293255820 [0,0,1,0,0,0|2,0,0]=3 668 B4R0.2 NCCCN MCULE-5041378433 [0,0,1,0,0,0|2,0,0]=3 669 B4R0.2 NCCCN MCULE-6944452060 [0,0,1,0,0,0|2,0,0]=3 670 B4R0.2 NCCCN MCULE-7375662153 [0,0,1,0,0,0|2,0,0]=3 671 B4R0.2 NCCCN MCULE-8277465929 [0,0,1,0,0,0|2,0,0]=3 672 B4R0.2 NCCCN MCULE-9929373126 [0,0,1,0,0,0|2,0,0]=3 673 B4R0.2 NCCCO MCULE-2851278356 [0,0,1,0,0,0|1,0,0]=2 674 B4R0.2 NCCCO MCULE-9698089092 [0,0,1,0,0,0|1,0,0]=2 675 B4R0.2 NCCCS MCULE-3994478020 [0,0,1,0,0,0|1,1,0]=3 676 B4R0.2 NCCCS MCULE-7730973866 [0,0,1,0,0,0|1,1,0]=3 677 B4R0.2 NCCON MCULE-3613980902 [0,0,1,0,0,0|2,0,0]=3 678 B4R0.2 NCCON MCULE-7030217952 [0,0,1,0,0,0|2,0,0]=3 679 B4R0.2 NCCON MCULE-8959912781 [0,0,1,0,0,0|2,0,0]=3 680 B4R0.2 NNCCF MCULE-2712460031 [0,0,1,0,0,0|2,1,0]=4 681 B4R0.2 NNCCF MCULE-8505927457 [0,0,1,0,0,0|2,1,0]=4 682 B4R0.2 NNCCO MCULE-1290652744 [0,0,1,0,0,0|2,0,0]=3 683 B4R0.2 NOCCBr MCULE-2796346082 [0,0,1,0,0,0|1,1,0]=3 684 B4R0.2 NOCCBr MCULE-5636354898 [0,0,1,0,0,0|1,1,0]=3 685 B4R0.2 NOCCCl MCULE-5981688956 [0,0,1,0,0,0|1,0,0]=2 686 B4R0.2 NOCCF MCULE-1813481600 [0,0,1,0,0,0|1,1,0]=3 687 B4R0.2 NOCCF MCULE-2993254805 [0,0,1,0,0,0|1,1,0]=3 688 B4R0.2 NOCCO MCULE-2545004367 [0,0,1,0,0,0|2,0,0]=3 689 B4R0.2 O=C=NCCl MCULE-7751104052 [0,0,1,0,0,0|1,0,2]=4 690 B4R0.2 O=CCCBr MCULE-4107157458 [0,0,1,0,0,0|0,1,2]=4 691 B4R0.2 O=CCCCl MCULE-5863929313 [0,0,1,0,0,0|0,0,2]=3 692 B4R0.2 O=CCCI MCULE-9771140462 [0,0,1,0,0,0|0,1,2]=4 693 B4R0.2 O=CCCO MCULE-1685289763 [0,0,1,0,0,0|1,0,1]=3 694 B4R0.2 OC=CCCl MCULE-4750991393 [0,0,1,0,0,0|0,0,2]=3 695 B4R0.2 OCC#CBr MCULE-2495653455 [0,0,1,0,0,0|0,1,2]=4 696 B4R0.2 OCC#CI MCULE-1101149708 [0,0,1,0,0,0|0,1,2]=4 697 B4R0.2 OCC=CBr MCULE-4636104289 [0,0,1,0,0,0|0,1,2]=4 698 B4R0.2 OCC=CCl MCULE-2110127594 [0,0,1,0,0,0|0,0,2]=3 699 B4R0.2 OCCCBr MCULE-3450011527 [0,0,1,0,0,0|0,1,0]=2 700 B4R0.2 OCCCCl MCULE-2319230957 [0,0,1,0,0,0|0,0,0]=1 701 B4R0.2 OCCCF MCULE-2347934403 [0,0,1,0,0,0|0,1,0]=2 702 B4R0.2 OCCCI MCULE-5200713967 [0,0,1,0,0,0|0,1,0]=2 703 B4R0.2 OCCCO MCULE-5166824786 [0,0,1,0,0,0|1,0,0]=2 704 B4R0.2 OCCCS MCULE-7930164048 [0,0,1,0,0,0|1,0,0]=2 705 B4R0.2 ON=CCCl MCULE-5736695742 [0,0,1,0,0,0|1,0,1]=3 706 B4R0.2 PCCCP MCULE-6048146071 [0,0,1,0,0,0|2,0,0]=3 707 B4R0.2 SCCCBr MCULE-4627341228 [0,0,1,0,0,0|0,2,0]=3 708 B4R0.2 SCCCCl MCULE-6410389127 [0,0,1,0,0,0|0,1,0]=2 709 B4R0.2 SCCCS MCULE-8220630729 [0,0,1,0,0,0|1,1,0]=3 710 B4R0.2 [NH2+](CC)CC MCULE-1192179232 [0,0,1,0,0,0|3,0,0]=4 711 B4R0.2 [NH3+]OCO[NH3+] MCULE-1014646507 [0,0,1,0,0,0|3,0,0]=4 712 B4R0.2 [NH3+]OCO[NH3+] MCULE-2130820760 [0,0,1,0,0,0|3,0,0]=4 713 B6R2.1 C1CC12CC2 MCULE-7180602672 [0,0,0,1,0,0|2,0,0]=3 714 B6R2.4 C1CC2C1O2 MCULE-9211083149 [0,0,0,1,0,0|1,0,0]=2 715 B6R1.6 BrCC1CCC1 MCULE-6307620219 [0,0,0,0,0,1|1,1,0]=3 716 B6R1.6 BrCC1CCO1 MCULE-8997197221 [0,0,0,0,0,1|0,1,0]=2 717 B6R1.6 BrCC1CNC1 MCULE-5889797727 [0,0,0,0,0,1|1,1,0]=3 718 B6R1.6 BrCC1CNC1 MCULE-7668948015 [0,0,0,0,0,1|1,1,0]=3 719 B6R1.6 BrCC1COC1 MCULE-3267235863 [0,0,0,0,0,1|0,1,0]=2 720 B6R1.6 BrC[C@@H]1CCO1 MCULE-5332541596 [0,0,0,0,0,1|0,1,0]=2 721 B6R1.6 BrC[C@H]1CCO1 MCULE-4327725094 [0,0,0,0,0,1|0,1,0]=2 722 B6R1.6 BrC[C@H]1CCO1 MCULE-5319595119 [0,0,0,0,0,1|0,1,0]=2 723 B6R1.6 C#CC1CCC1 MCULE-3076610847 [0,0,0,0,0,1|2,0,1]=4 724 B6R1.6 C#CC1CCN1 MCULE-4919064001 [0,0,0,0,0,1|2,0,1]=4 725 B6R1.6 C#CC1CCN1 MCULE-9869131517 [0,0,0,0,0,1|2,0,1]=4 726 B6R1.6 C#CC1CCO1 MCULE-6571223458 [0,0,0,0,0,1|1,0,1]=3 727 B6R1.6 C#CC1CNC1 MCULE-4651971465 [0,0,0,0,0,1|2,0,1]=4 728 B6R1.6 C#CC1CNC1 MCULE-9377887865 [0,0,0,0,0,1|2,0,1]=4 729 B6R1.6 C#CC1COC1 MCULE-8724712442 [0,0,0,0,0,1|1,0,1]=3 730 B6R1.6 C1(CCN1)CO MCULE-6309114010 [0,0,0,0,0,1|2,0,0]=3 731 B6R1.6 C=CC1CNC1 MCULE-9929515921 [0,0,0,0,0,1|2,0,1]=4 732 B6R1.6 CCC1CCN1 MCULE-2791335818 [0,0,0,0,0,1|2,0,0]=3 733 B6R1.6 CCC1CCN1 MCULE-3929810240 [0,0,0,0,0,1|2,0,0]=3 734 B6R1.6 CCC1CNC1 MCULE-5314495230 [0,0,0,0,0,1|2,0,0]=3 735 B6R1.6 CCC1CNC1 MCULE-6675770601 [0,0,0,0,0,1|2,0,0]=3 736 B6R1.6 CNC1CCC1 MCULE-1364608179 [0,0,0,0,0,1|3,0,0]=4 737 B6R1.6 CNC1CCC1 MCULE-2951993315 [0,0,0,0,0,1|3,0,0]=4 738 B6R1.6 CNC1CCN1 MCULE-7769870554 [0,0,0,0,0,1|3,0,0]=4 739 B6R1.6 CNC1CCN1 MCULE-9764026934 [0,0,0,0,0,1|3,0,0]=4 740 B6R1.6 CNC1CNC1 MCULE-1099597328 [0,0,0,0,0,1|3,0,0]=4 741 B6R1.6 CNC1CNC1 MCULE-1308867000 [0,0,0,0,0,1|3,0,0]=4 742 B6R1.6 CNC1COC1 MCULE-2040978636 [0,0,0,0,0,1|2,0,0]=3 743 B6R1.6 CNC1COC1 MCULE-3130259264 [0,0,0,0,0,1|2,0,0]=3 744 B6R1.6 CNC1COC1 MCULE-4618612030 [0,0,0,0,0,1|2,0,0]=3 745 B6R1.6 CNC1CSC1 MCULE-6729829548 [0,0,0,0,0,1|2,1,0]=4 746 B6R1.6 CNC1CSC1 MCULE-7173779891 [0,0,0,0,0,1|2,1,0]=4 747 B6R1.6 COC1CNC1 MCULE-1522685592 [0,0,0,0,0,1|3,0,0]=4 748 B6R1.6 COC1CNC1 MCULE-4835486151 [0,0,0,0,0,1|3,0,0]=4 749 B6R1.6 CSC1CNC1 MCULE-2006549414 [0,0,0,0,0,1|3,0,0]=4 750 B6R1.6 CSC1CNC1 MCULE-6024405532 [0,0,0,0,0,1|3,0,0]=4 751 B6R1.6 ClCC1CCC1 MCULE-2464596839 [0,0,0,0,0,1|1,0,0]=2 752 B6R1.6 ClCC1CCO1 MCULE-3809712491 [0,0,0,0,0,1|0,0,0]=1 753 B6R1.6 ClCC1CNC1 MCULE-2451543932 [0,0,0,0,0,1|1,0,0]=2 754 B6R1.6 ClCC1CNC1 MCULE-9626195989 [0,0,0,0,0,1|1,0,0]=2 755 B6R1.6 ClCC1COC1 MCULE-1144637548 [0,0,0,0,0,1|0,0,0]=1 756 B6R1.6 FCC1CCN1 MCULE-1368993155 [0,0,0,0,0,1|1,1,0]=3 757 B6R1.6 FCC1CCN1 MCULE-8515014805 [0,0,0,0,0,1|1,1,0]=3 758 B6R1.6 FCC1CCN1 MCULE-9723993015 [0,0,0,0,0,1|1,1,0]=3 759 B6R1.6 FCC1CNC1 MCULE-4813599184 [0,0,0,0,0,1|1,1,0]=3 760 B6R1.6 FCC1CNC1 MCULE-5694626686 [0,0,0,0,0,1|1,1,0]=3 761 B6R1.6 FC[C@@H]1CCN1 MCULE-3863169127 [0,0,0,0,0,1|1,1,0]=3 762 B6R1.6 FC[C@@H]1CCN1 MCULE-6069828502 [0,0,0,0,0,1|1,1,0]=3 763 B6R1.6 FC[C@@H]1CCN1 MCULE-7267455157 [0,0,0,0,0,1|1,1,0]=3 764 B6R1.6 FC[C@@H]1CCN1 MCULE-8157561423 [0,0,0,0,0,1|1,1,0]=3 765 B6R1.6 FC[C@H]1CCN1 MCULE-3092369600 [0,0,0,0,0,1|1,1,0]=3 766 B6R1.6 FC[C@H]1CCN1 MCULE-6708783004 [0,0,0,0,0,1|1,1,0]=3 767 B6R1.6 ICC1CCC1 MCULE-7767711699 [0,0,0,0,0,1|1,1,0]=3 768 B6R1.6 ICC1CCO1 MCULE-4132798336 [0,0,0,0,0,1|0,1,0]=2 769 B6R1.6 ICC1COC1 MCULE-6325029437 [0,0,0,0,0,1|0,1,0]=2 770 B6R1.6 N#CC1CCC1 MCULE-3335810526 [0,0,0,0,0,1|2,0,1]=4 771 B6R1.6 N#CC1CCN1 MCULE-1911621774 [0,0,0,0,0,1|2,0,1]=4 772 B6R1.6 N#CC1CCN1 MCULE-4794260273 [0,0,0,0,0,1|2,0,1]=4 773 B6R1.6 N#CC1CCN1 MCULE-9823982389 [0,0,0,0,0,1|2,0,1]=4 774 B6R1.6 N#CC1CNC1 MCULE-2385981463 [0,0,0,0,0,1|2,0,1]=4 775 B6R1.6 N#CC1CNC1 MCULE-6516721657 [0,0,0,0,0,1|2,0,1]=4 776 B6R1.6 N#CC1COC1 MCULE-8173442458 [0,0,0,0,0,1|1,0,1]=3 777 B6R1.6 N#CC1CSC1 MCULE-8903032109 [0,0,0,0,0,1|1,1,1]=4 778 B6R1.6 N#C[C@@H]1CCN1 MCULE-1138328452 [0,0,0,0,0,1|2,0,1]=4 779 B6R1.6 N#C[C@@H]1CCN1 MCULE-5332905379 [0,0,0,0,0,1|2,0,1]=4 780 B6R1.6 N#C[C@@H]1CCN1 MCULE-6157011731 [0,0,0,0,0,1|2,0,1]=4 781 B6R1.6 N#C[C@@H]1CCN1 MCULE-8276413658 [0,0,0,0,0,1|2,0,1]=4 782 B6R1.6 N#C[C@H]1CCN1 MCULE-1867811844 [0,0,0,0,0,1|2,0,1]=4 783 B6R1.6 N#C[C@H]1CCN1 MCULE-2164621620 [0,0,0,0,0,1|2,0,1]=4 784 B6R1.6 N#C[C@H]1CCN1 MCULE-7854885202 [0,0,0,0,0,1|2,0,1]=4 785 B6R1.6 N#C[C@H]1CCN1 MCULE-8486466797 [0,0,0,0,0,1|2,0,1]=4 786 B6R1.6 N#C[C@H]1CCN1 MCULE-9219109892 [0,0,0,0,0,1|2,0,1]=4 787 B6R1.6 NCC1CCC1 MCULE-4977602211 [0,0,0,0,0,1|2,0,0]=3 788 B6R1.6 NCC1CCC1 MCULE-8434128112 [0,0,0,0,0,1|2,0,0]=3 789 B6R1.6 NCC1CCN1 MCULE-4988917629 [0,0,0,0,0,1|2,0,0]=3 790 B6R1.6 NCC1CCN1 MCULE-5495577627 [0,0,0,0,0,1|2,0,0]=3 791 B6R1.6 NCC1CCN1 MCULE-7749596260 [0,0,0,0,0,1|2,0,0]=3 792 B6R1.6 NCC1CCO1 MCULE-4478591600 [0,0,0,0,0,1|1,0,0]=2 793 B6R1.6 NCC1CCS1 MCULE-4026106833 [0,0,0,0,0,1|1,1,0]=3 794 B6R1.6 NCC1CCS1 MCULE-5342015412 [0,0,0,0,0,1|1,1,0]=3 795 B6R1.6 NCC1CNC1 MCULE-7601725567 [0,0,0,0,0,1|2,0,0]=3 796 B6R1.6 NCC1CNC1 MCULE-7948891652 [0,0,0,0,0,1|2,0,0]=3 797 B6R1.6 NCC1COC1 MCULE-4685637013 [0,0,0,0,0,1|1,0,0]=2 798 B6R1.6 NCC1COC1 MCULE-6896653344 [0,0,0,0,0,1|1,0,0]=2 799 B6R1.6 NCC1CSC1 MCULE-2317140221 [0,0,0,0,0,1|1,1,0]=3 800 B6R1.6 NCC1CSC1 MCULE-2885312159 [0,0,0,0,0,1|1,1,0]=3 801 B6R1.6 NC[C@@H]1CCO1 MCULE-2375359339 [0,0,0,0,0,1|1,0,0]=2 802 B6R1.6 NC[C@@H]1CCO1 MCULE-4004256578 [0,0,0,0,0,1|1,0,0]=2 803 B6R1.6 NC[C@H]1CCN1 MCULE-2270552795 [0,0,0,0,0,1|2,0,0]=3 804 B6R1.6 NC[C@H]1CCN1 MCULE-2882990554 [0,0,0,0,0,1|2,0,0]=3 805 B6R1.6 NC[C@H]1CCO1 MCULE-2811111103 [0,0,0,0,0,1|1,0,0]=2 806 B6R1.6 NC[C@H]1CCO1 MCULE-4329808216 [0,0,0,0,0,1|1,0,0]=2 807 B6R1.6 NC[C@H]1CCO1 MCULE-9974781002 [0,0,0,0,0,1|1,0,0]=2 808 B6R1.6 NNC1CCC1 MCULE-2058855063 [0,0,0,0,0,1|3,0,0]=4 809 B6R1.6 NNC1CCC1 MCULE-2355527907 [0,0,0,0,0,1|3,0,0]=4 810 B6R1.6 NNC1CCC1 MCULE-7674249555 [0,0,0,0,0,1|3,0,0]=4 811 B6R1.6 NNC1CNC1 MCULE-1383746939 [0,0,0,0,0,1|3,0,0]=4 812 B6R1.6 NNC1CNC1 MCULE-8167393861 [0,0,0,0,0,1|3,0,0]=4 813 B6R1.6 NNC1COC1 MCULE-2986078946 [0,0,0,0,0,1|2,0,0]=3 814 B6R1.6 NNC1COC1 MCULE-4662390820 [0,0,0,0,0,1|2,0,0]=3 815 B6R1.6 NNC1COC1 MCULE-7804737341 [0,0,0,0,0,1|2,0,0]=3 816 B6R1.6 NNC1CSC1 MCULE-2341298971 [0,0,0,0,0,1|2,1,0]=4 817 B6R1.6 NNC1CSC1 MCULE-6513117263 [0,0,0,0,0,1|2,1,0]=4 818 B6R1.6 NNC1CSC1 MCULE-9957779440 [0,0,0,0,0,1|2,1,0]=4 819 B6R1.6 NOC1CCC1 MCULE-2140396646 [0,0,0,0,0,1|3,0,0]=4 820 B6R1.6 NOC1CCC1 MCULE-9347173321 [0,0,0,0,0,1|3,0,0]=4 821 B6R1.6 NOC1COC1 MCULE-1949996102 [0,0,0,0,0,1|2,0,0]=3 822 B6R1.6 O=CC1CCC1 MCULE-8678026416 [0,0,0,0,0,1|2,0,1]=4 823 B6R1.6 O=CC1COC1 MCULE-3773699476 [0,0,0,0,0,1|1,0,1]=3 824 B6R1.6 O=CC1CSC1 MCULE-2648443908 [0,0,0,0,0,1|1,1,1]=4 825 B6R1.6 OCC1CCC1 MCULE-3046613150 [0,0,0,0,0,1|2,0,0]=3 826 B6R1.6 OCC1CCN1 MCULE-1812443062 [0,0,0,0,0,1|2,0,0]=3 827 B6R1.6 OCC1CCN1 MCULE-8390631765 [0,0,0,0,0,1|2,0,0]=3 828 B6R1.6 OCC1CCO1 MCULE-7120761203 [0,0,0,0,0,1|1,0,0]=2 829 B6R1.6 OCC1CCO1 MCULE-7517577386 [0,0,0,0,0,1|1,0,0]=2 830 B6R1.6 OCC1CNC1 MCULE-1537874886 [0,0,0,0,0,1|2,0,0]=3 831 B6R1.6 OCC1CNC1 MCULE-8316085177 [0,0,0,0,0,1|2,0,0]=3 832 B6R1.6 OCC1COC1 MCULE-5031415478 [0,0,0,0,0,1|1,0,0]=2 833 B6R1.6 OCC1CSC1 MCULE-9388221183 [0,0,0,0,0,1|1,1,0]=3 834 B6R1.6 OC[C@@H]1CCN1 MCULE-5565957906 [0,0,0,0,0,1|2,0,0]=3 835 B6R1.6 OC[C@@H]1CCN1 MCULE-7064010066 [0,0,0,0,0,1|2,0,0]=3 836 B6R1.6 OC[C@@H]1CCN1 MCULE-7539121327 [0,0,0,0,0,1|2,0,0]=3 837 B6R1.6 OC[C@@H]1CCN1 MCULE-9740096939 [0,0,0,0,0,1|2,0,0]=3 838 B6R1.6 OC[C@@H]1CCO1 MCULE-7613449097 [0,0,0,0,0,1|1,0,0]=2 839 B6R1.6 OC[C@@H]1CCO1 MCULE-9444003682 [0,0,0,0,0,1|1,0,0]=2 840 B6R1.6 OC[C@H]1CCN1 MCULE-5733363493 [0,0,0,0,0,1|2,0,0]=3 841 B6R1.6 OC[C@H]1CCN1 MCULE-8466413816 [0,0,0,0,0,1|2,0,0]=3 842 B6R1.6 OC[C@H]1CCO1 MCULE-1446169257 [0,0,0,0,0,1|1,0,0]=2 843 B6R1.6 OC[C@H]1CCO1 MCULE-2929052431 [0,0,0,0,0,1|1,0,0]=2 844 B6R1.6 SCC1CCC1 MCULE-4083757063 [0,0,0,0,0,1|2,0,0]=3 845 B6R1.6 SCC1COC1 MCULE-7193197469 [0,0,0,0,0,1|1,0,0]=2 846 B3R0.1 BrCCBr MCULE-7586462642 [1,0,1,0,0,0|1,1,0]=4 847 B3R0.1 BrCCI MCULE-8691237057 [1,0,1,0,0,0|1,1,0]=4 848 B3R0.1 C#CCC MCULE-8090253856 [1,0,1,0,0,0|1,0,1]=4 849 B3R0.1 C#CCCl MCULE-8379017189 [1,0,1,0,0,0|0,0,2]=4 850 B3R0.1 C#CCO MCULE-3909200923 [1,0,1,0,0,0|0,0,2]=4 851 B3R0.1 C/B=N/O MCULE-5227399299 [1,0,1,0,0,0|2,0,0]=4 852 B3R0.1 C/C=N/O MCULE-2376410404 [1,0,1,0,0,0|1,0,1]=4 853 B3R0.1 C=CCC MCULE-8167907130 [1,0,1,0,0,0|1,0,1]=4 854 B3R0.1 C=CCCl MCULE-4067772785 [1,0,1,0,0,0|0,0,2]=4 855 B3R0.1 C=CCO MCULE-2145308838 [1,0,1,0,0,0|0,0,2]=4 856 B3R0.1 C=COC MCULE-4880746684 [1,0,1,0,0,0|0,0,2]=4 857 B3R0.1 CC#CC MCULE-3721942346 [1,0,1,0,0,0|1,0,1]=4 858 B3R0.1 CC=CCl MCULE-9225887510 [1,0,1,0,0,0|0,0,2]=4 859 B3R0.1 CC=NO MCULE-9761317381 [1,0,1,0,0,0|1,0,1]=4 860 B3R0.1 CCC#N MCULE-9484970536 [1,0,1,0,0,0|1,0,1]=4 861 B3R0.1 CCC=O MCULE-4079744837 [1,0,1,0,0,0|0,0,2]=4 862 B3R0.1 CCCBr MCULE-2393970713 [1,0,1,0,0,0|0,1,0]=3 863 B3R0.1 CCCC MCULE-9760497805 [1,0,1,0,0,0|1,0,0]=3 864 B3R0.1 CCCCl MCULE-3496412829 [1,0,1,0,0,0|0,0,0]=2 865 B3R0.1 CCCF MCULE-8540338768 [1,0,1,0,0,0|0,1,0]=3 866 B3R0.1 CCCI MCULE-1721488805 [1,0,1,0,0,0|0,1,0]=3 867 B3R0.1 CCCN MCULE-2885523792 [1,0,1,0,0,0|1,0,0]=3 868 B3R0.1 CCCN MCULE-4318907091 [1,0,1,0,0,0|1,0,0]=3 869 B3R0.1 CCCN MCULE-6330457870 [1,0,1,0,0,0|1,0,0]=3 870 B3R0.1 CCCN MCULE-7146820007 [1,0,1,0,0,0|1,0,0]=3 871 B3R0.1 CCCO MCULE-6252105126 [1,0,1,0,0,0|0,0,0]=2 872 B3R0.1 CCCS MCULE-8267649092 [1,0,1,0,0,0|0,1,0]=3 873 B3R0.1 CCNC MCULE-7215376398 [1,0,1,0,0,0|1,0,0]=3 874 B3R0.1 CCNC MCULE-9811899205 [1,0,1,0,0,0|1,0,0]=3 875 B3R0.1 CCNN MCULE-4753127904 [1,0,1,0,0,0|2,0,0]=4 876 B3R0.1 CCNN MCULE-7630363192 [1,0,1,0,0,0|2,0,0]=4 877 B3R0.1 CCNN MCULE-8402230944 [1,0,1,0,0,0|2,0,0]=4 878 B3R0.1 CCNO MCULE-1215586669 [1,0,1,0,0,0|1,0,0]=3 879 B3R0.1 CCNO MCULE-7075818857 [1,0,1,0,0,0|1,0,0]=3 880 B3R0.1 CCON MCULE-5316082054 [1,0,1,0,0,0|1,0,0]=3 881 B3R0.1 CCON MCULE-6621418839 [1,0,1,0,0,0|1,0,0]=3 882 B3R0.1 CCO[NH3+] MCULE-7670481464 [1,0,1,0,0,0|1,0,0]=3 883 B3R0.1 CCO[NH3+] MCULE-7871083232 [1,0,1,0,0,0|1,0,0]=3 884 B3R0.1 CCSC MCULE-6944750263 [1,0,1,0,0,0|0,1,0]=3 885 B3R0.1 CNNC MCULE-5932476941 [1,0,1,0,0,0|2,0,0]=4 886 B3R0.1 CNNC MCULE-6419598860 [1,0,1,0,0,0|2,0,0]=4 887 B3R0.1 CNOC MCULE-1706082503 [1,0,1,0,0,0|1,0,0]=3 888 B3R0.1 CNOC MCULE-6224540090 [1,0,1,0,0,0|1,0,0]=3 889 B3R0.1 COC=O MCULE-9122749354 [1,0,1,0,0,0|1,0,1]=4 890 B3R0.1 COCBr MCULE-2566721472 [1,0,1,0,0,0|0,1,0]=3 891 B3R0.1 COCCl MCULE-5928768006 [1,0,1,0,0,0|0,0,0]=2 892 B3R0.1 COCI MCULE-5215132549 [1,0,1,0,0,0|0,1,0]=3 893 B3R0.1 CSCCl MCULE-1281800596 [1,0,1,0,0,0|0,1,0]=3 894 B3R0.1 CSSC MCULE-7451882535 [1,0,1,0,0,0|1,1,0]=4 895 B3R0.1 C[Se][Se]C MCULE-1189700302 [1,0,1,0,0,0|1,1,0]=4 896 B3R0.1 ClCCBr MCULE-3933774075 [1,0,1,0,0,0|1,0,0]=3 897 B3R0.1 ClCCCl MCULE-3493741440 [1,0,1,0,0,0|1,0,0]=3 898 B3R0.1 ClCCI MCULE-7847880962 [1,0,1,0,0,0|1,0,0]=3 899 B3R0.1 FCCBr MCULE-3117974140 [1,0,1,0,0,0|1,1,0]=4 900 B3R0.1 FCCCl MCULE-1862981403 [1,0,1,0,0,0|1,0,0]=3 901 B3R0.1 FCCF MCULE-1975194621 [1,0,1,0,0,0|1,1,0]=4 902 B3R0.1 FCCI MCULE-3689313503 [1,0,1,0,0,0|1,1,0]=4 903 B3R0.1 ICCI MCULE-8025471988 [1,0,1,0,0,0|1,1,0]=4 904 B3R0.1 N#CCCl MCULE-5316147295 [1,0,1,0,0,0|1,0,1]=4 905 B3R0.1 NCCBr MCULE-3401124597 [1,0,1,0,0,0|1,1,0]=4 906 B3R0.1 NCCBr MCULE-6215378497 [1,0,1,0,0,0|1,1,0]=4 907 B3R0.1 NCCCl MCULE-1458699843 [1,0,1,0,0,0|1,0,0]=3 908 B3R0.1 NCCCl MCULE-6944306112 [1,0,1,0,0,0|1,0,0]=3 909 B3R0.1 NCCF MCULE-1670520169 [1,0,1,0,0,0|1,1,0]=4 910 B3R0.1 NCCF MCULE-4963351029 [1,0,1,0,0,0|1,1,0]=4 911 B3R0.1 NCCI MCULE-6905308399 [1,0,1,0,0,0|1,1,0]=4 912 B3R0.1 NCCI MCULE-7487764362 [1,0,1,0,0,0|1,1,0]=4 913 B3R0.1 NCCN MCULE-4740333723 [1,0,1,0,0,0|2,0,0]=4 914 B3R0.1 NCCN MCULE-6795272853 [1,0,1,0,0,0|2,0,0]=4 915 B3R0.1 NCCN MCULE-8304126024 [1,0,1,0,0,0|2,0,0]=4 916 B3R0.1 NCCN MCULE-8325612144 [1,0,1,0,0,0|2,0,0]=4 917 B3R0.1 NCCO MCULE-5175116598 [1,0,1,0,0,0|1,0,0]=3 918 B3R0.1 NCCO MCULE-8624730373 [1,0,1,0,0,0|1,0,0]=3 919 B3R0.1 NCCS MCULE-1838427828 [1,0,1,0,0,0|1,1,0]=4 920 B3R0.1 NCCS MCULE-2418938683 [1,0,1,0,0,0|1,1,0]=4 921 B3R0.1 O=CCCl MCULE-7307216184 [1,0,1,0,0,0|0,0,2]=4 922 B3R0.1 OCCBr MCULE-5097256006 [1,0,1,0,0,0|0,1,0]=3 923 B3R0.1 OCCCl MCULE-5139580173 [1,0,1,0,0,0|0,0,0]=2 924 B3R0.1 OCCF MCULE-7590677201 [1,0,1,0,0,0|0,1,0]=3 925 B3R0.1 OCCI MCULE-8359750387 [1,0,1,0,0,0|0,1,0]=3 926 B3R0.1 OCCO MCULE-6366313128 [1,0,1,0,0,0|1,0,0]=3 927 B3R0.1 OCCS MCULE-2252943288 [1,0,1,0,0,0|1,0,0]=3 928 B3R0.1 PCCP MCULE-2159678577 [1,0,1,0,0,0|2,0,0]=4 929 B3R0.1 SCCBr MCULE-5899941299 [1,0,1,0,0,0|0,2,0]=4 930 B3R0.1 SCCS MCULE-8277435664 [1,0,1,0,0,0|1,1,0]=4 931 B3R0.1 [NH3+]CCS MCULE-6407472407 [1,0,1,0,0,0|1,1,0]=4 932 B3R0.1 [NH3+]CC[NH3+] MCULE-5313549416 [1,0,1,0,0,0|2,0,0]=4 933 B3R0.2 BN(C)C MCULE-2470964161 [1,0,1,0,0,0|2,0,0]=4 934 B3R0.2 C=C(C)C MCULE-5640095130 [1,0,1,0,0,0|1,0,1]=4 935 B3R0.2 C=C(C)Cl MCULE-1752401095 [1,0,1,0,0,0|1,0,1]=4 936 B3R0.2 C=[N+](C)C MCULE-4450980212 [1,0,1,0,0,0|2,0,0]=4 937 B3R0.2 C=[N+](C)C MCULE-5309464837 [1,0,1,0,0,0|2,0,0]=4 938 B3R0.2 C=[N+](C)C MCULE-9321779445 [1,0,1,0,0,0|2,0,0]=4 939 B3R0.2 CB(O)O MCULE-3510763826 [1,0,1,0,0,0|2,0,0]=4 940 B3R0.2 CC(=O)C MCULE-6679625040 [1,0,1,0,0,0|0,0,2]=4 941 B3R0.2 CC(=O)Cl MCULE-9041746362 [1,0,1,0,0,0|0,0,2]=4 942 B3R0.2 CC(=O)O MCULE-1502330578 [1,0,1,0,0,0|1,0,1]=4 943 B3R0.2 CC(=O)O MCULE-5514028500 [1,0,1,0,0,0|1,0,1]=4 944 B3R0.2 CC(=O)O MCULE-5942589566 [1,0,1,0,0,0|1,0,1]=4 945 B3R0.2 CC(=O)O MCULE-6780070129 [1,0,1,0,0,0|1,0,1]=4 946 B3R0.2 CC(=O)O MCULE-8295936189 [1,0,1,0,0,0|1,0,1]=4 947 B3R0.2 CC(=O)O MCULE-9103972283 [1,0,1,0,0,0|1,0,1]=4 948 B3R0.2 CC(=O)O MCULE-9900518424 [1,0,1,0,0,0|1,0,1]=4 949 B3R0.2 CC(Br)Br MCULE-3156450089 [1,0,1,0,0,0|1,1,0]=4 950 B3R0.2 CC(C)Br MCULE-4068304617 [1,0,1,0,0,0|1,0,0]=3 951 B3R0.2 CC(C)C MCULE-6616676274 [1,0,1,0,0,0|1,0,0]=3 952 B3R0.2 CC(C)Cl MCULE-3190141598 [1,0,1,0,0,0|1,0,0]=3 953 B3R0.2 CC(C)F MCULE-5333357055 [1,0,1,0,0,0|1,0,0]=3 954 B3R0.2 CC(C)I MCULE-6151711033 [1,0,1,0,0,0|1,0,0]=3 955 B3R0.2 CC(C)N MCULE-1048799006 [1,0,1,0,0,0|1,0,0]=3 956 B3R0.2 CC(C)N MCULE-1125416142 [1,0,1,0,0,0|1,0,0]=3 957 B3R0.2 CC(C)N MCULE-2418429353 [1,0,1,0,0,0|1,0,0]=3 958 B3R0.2 CC(C)N MCULE-7280647435 [1,0,1,0,0,0|1,0,0]=3 959 B3R0.2 CC(C)O MCULE-6646752234 [1,0,1,0,0,0|0,0,0]=2 960 B3R0.2 CC(C)S MCULE-8283942088 [1,0,1,0,0,0|0,1,0]=3 961 B3R0.2 CC(Cl)Br MCULE-6166388747 [1,0,1,0,0,0|1,0,0]=3 962 B3R0.2 CC(Cl)Cl MCULE-2444543893 [1,0,1,0,0,0|1,0,0]=3 963 B3R0.2 CC(F)Cl MCULE-1350283946 [1,0,1,0,0,0|1,0,0]=3 964 B3R0.2 CC(F)F MCULE-1642052461 [1,0,1,0,0,0|1,1,0]=4 965 B3R0.2 CN(C)C MCULE-5179437979 [1,0,1,0,0,0|2,0,0]=4 966 B3R0.2 CN(C)C MCULE-6816696733 [1,0,1,0,0,0|2,0,0]=4 967 B3R0.2 CN(C)C MCULE-7903544426 [1,0,1,0,0,0|2,0,0]=4 968 B3R0.2 CN(C)N MCULE-7177216911 [1,0,1,0,0,0|2,0,0]=4 969 B3R0.2 CN(C)N MCULE-8775366011 [1,0,1,0,0,0|2,0,0]=4 970 B3R0.2 CN(C)O MCULE-6572915706 [1,0,1,0,0,0|1,0,0]=3 971 B3R0.2 CN(C)O MCULE-6950647562 [1,0,1,0,0,0|1,0,0]=3 972 B3R0.2 CP(=O)C MCULE-6150886622 [1,0,1,0,0,0|1,0,1]=4 973 B3R0.2 CP(C)C MCULE-6703190251 [1,0,1,0,0,0|2,0,0]=4 974 B3R0.2 CS(=O)C MCULE-2005841258 [1,0,1,0,0,0|1,0,1]=4 975 B3R0.2 CS(=O)Cl MCULE-1292201352 [1,0,1,0,0,0|1,0,1]=4 976 B3R0.2 CS(=O)O MCULE-8711306710 [1,0,1,0,0,0|2,0,0]=4 977 B3R0.2 C[Ga](C)C MCULE-6013775603 [1,0,1,0,0,0|2,0,0]=4 978 B3R0.2 C[In](C)C MCULE-1424187192 [1,0,1,0,0,0|2,0,0]=4 979 B3R0.2 C[O+](C)C MCULE-2925451414 [1,0,1,0,0,0|2,0,0]=4 980 B3R0.2 C[S+](C)Br MCULE-2734391695 [1,0,1,0,0,0|2,0,0]=4 981 B3R0.2 C[S+](C)Br MCULE-6411921824 [1,0,1,0,0,0|2,0,0]=4 982 B3R0.2 C[S+](C)C MCULE-5867625832 [1,0,1,0,0,0|2,0,0]=4 983 B3R0.2 C[S+](C)C MCULE-7678314643 [1,0,1,0,0,0|2,0,0]=4 984 B3R0.2 C[S+](C)C MCULE-8005905986 [1,0,1,0,0,0|2,0,0]=4 985 B3R0.2 C[Se](=O)C MCULE-4596040471 [1,0,1,0,0,0|1,0,1]=4 986 B3R0.2 C[Se](=O)O MCULE-5568767851 [1,0,1,0,0,0|2,0,0]=4 987 B3R0.2 ClC(Br)Br MCULE-7315486856 [1,0,1,0,0,0|2,0,0]=4 988 B3R0.2 ClC(Cl)Br MCULE-9404631495 [1,0,1,0,0,0|2,0,0]=4 989 B3R0.2 ClC(Cl)Cl MCULE-5607930311 [1,0,1,0,0,0|2,0,0]=4 990 B3R0.2 ClC(Cl)I MCULE-9232888477 [1,0,1,0,0,0|2,0,0]=4 991 B3R1.1 C1CC1 MCULE-3418833052 [2,0,0,0,0,0|1,0,0]=3 992 B3R1.1 C1CN1 MCULE-4736867570 [2,0,0,0,0,0|1,0,0]=3 993 B3R1.1 C1CS1 MCULE-2741112339 [2,0,0,0,0,0|0,1,0]=3 994 B5R0.1 C#CCC(C)C MCULE-2506063278 [0,1,1,0,0,0|2,0,0]=4 995 B5R0.1 C#CCC(C)N MCULE-1523044787 [0,1,1,0,0,0|2,0,0]=4 996 B5R0.1 C#CCC(C)N MCULE-3399522488 [0,1,1,0,0,0|2,0,0]=4 997 B5R0.1 C#CCC(C)O MCULE-2487589857 [0,1,1,0,0,0|1,0,0]=3 998 B5R0.1 C(C)(N)CCC MCULE-4800297905 [0,1,1,0,0,0|2,0,0]=4 999 B5R0.1 C(C)(N)CCC MCULE-7674864567 [0,1,1,0,0,0|2,0,0]=4 1000 B5R0.1 C(C)(N)CCO MCULE-5545469271 [0,1,1,0,0,0|2,0,0]=4 1001 B5R0.1 C/C(=C\CCl)/Cl MCULE-6679259233 [0,1,1,0,0,0|1,0,1]=4 1002 B5R0.1 C/C=C/C(C)O MCULE-3191147789 [0,1,1,0,0,0|1,0,1]=4 1003 B5R0.1 C=C(C)CCCl MCULE-2816016781 [0,1,1,0,0,0|1,0,1]=4 1004 B5R0.1 C=CCC(C)Br MCULE-5638987302 [0,1,1,0,0,0|2,0,0]=4 1005 B5R0.1 C=CCC(C)C MCULE-4586731422 [0,1,1,0,0,0|2,0,0]=4 1006 B5R0.1 C=CCC(C)N MCULE-5354228552 [0,1,1,0,0,0|2,0,0]=4 1007 B5R0.1 C=CCC(C)N MCULE-9454660067 [0,1,1,0,0,0|2,0,0]=4 1008 B5R0.1 C=CCC(C)O MCULE-7724200334 [0,1,1,0,0,0|1,0,0]=3 1009 B5R0.1 C=CCC(C)O MCULE-9910771503 [0,1,1,0,0,0|1,0,0]=3 1010 B5R0.1 C=CC[C@@H](C)O MCULE-1663575568 [0,1,1,0,0,0|1,0,0]=3 1011 B5R0.1 C=CC[C@@H](C)O MCULE-3971480179 [0,1,1,0,0,0|1,0,0]=3 1012 B5R0.1 C=CC[C@H](C)N MCULE-2398654329 [0,1,1,0,0,0|2,0,0]=4 1013 B5R0.1 C=CC[C@H](C)N MCULE-5817451810 [0,1,1,0,0,0|2,0,0]=4 1014 B5R0.1 C=CC[C@H](C)O MCULE-5783959808 [0,1,1,0,0,0|1,0,0]=3 1015 B5R0.1 C=CC[C@H](C)O MCULE-6146696600 [0,1,1,0,0,0|1,0,0]=3 1016 B5R0.1 CC#CC(C)O MCULE-5523814936 [0,1,1,0,0,0|1,0,1]=4 1017 B5R0.1 CC(=CCCl)C MCULE-1110417103 [0,1,1,0,0,0|1,0,1]=4 1018 B5R0.1 CC(=CCCl)Cl MCULE-9735045489 [0,1,1,0,0,0|1,0,1]=4 1019 B5R0.1 CC(=O)CCCl MCULE-8019748964 [0,1,1,0,0,0|0,0,2]=4 1020 B5R0.1 CC(=O)OCCl MCULE-6822222026 [0,1,1,0,0,0|0,0,2]=4 1021 B5R0.1 CC(Br)CC#N MCULE-6321379216 [0,1,1,0,0,0|2,0,0]=4 1022 B5R0.1 CC(Br)CCBr MCULE-1045475402 [0,1,1,0,0,0|1,1,0]=4 1023 B5R0.1 CC(C)CC#N MCULE-4346986727 [0,1,1,0,0,0|2,0,0]=4 1024 B5R0.1 CC(C)CC=O MCULE-2939497534 [0,1,1,0,0,0|2,0,0]=4 1025 B5R0.1 CC(C)CCBr MCULE-7163010428 [0,1,1,0,0,0|1,1,0]=4 1026 B5R0.1 CC(C)CCCl MCULE-8360122696 [0,1,1,0,0,0|1,0,0]=3 1027 B5R0.1 CC(C)CCCl MCULE-9017922949 [0,1,1,0,0,0|1,0,0]=3 1028 B5R0.1 CC(C)CCI MCULE-4934529500 [0,1,1,0,0,0|1,1,0]=4 1029 B5R0.1 CC(C)CCN MCULE-3081003576 [0,1,1,0,0,0|2,0,0]=4 1030 B5R0.1 CC(C)CCN MCULE-5118782389 [0,1,1,0,0,0|2,0,0]=4 1031 B5R0.1 CC(C)CCN MCULE-5217981670 [0,1,1,0,0,0|2,0,0]=4 1032 B5R0.1 CC(C)CCN MCULE-6280940933 [0,1,1,0,0,0|2,0,0]=4 1033 B5R0.1 CC(C)CCO MCULE-7411270401 [0,1,1,0,0,0|2,0,0]=4 1034 B5R0.1 CC(C)CCS MCULE-7115473363 [0,1,1,0,0,0|2,0,0]=4 1035 B5R0.1 CC(C)CNN MCULE-6797887001 [0,1,1,0,0,0|2,0,0]=4 1036 B5R0.1 CC(C)CNN MCULE-9592971233 [0,1,1,0,0,0|2,0,0]=4 1037 B5R0.1 CC(C)CNN MCULE-9725792452 [0,1,1,0,0,0|2,0,0]=4 1038 B5R0.1 CC(C)CON MCULE-3476786246 [0,1,1,0,0,0|2,0,0]=4 1039 B5R0.1 CC(C)CON MCULE-4450654727 [0,1,1,0,0,0|2,0,0]=4 1040 B5R0.1 CC(C)OCCl MCULE-3680602217 [0,1,1,0,0,0|1,0,0]=3 1041 B5R0.1 CC(C)SCCl MCULE-3836735379 [0,1,1,0,0,0|1,0,0]=3 1042 B5R0.1 CC(Cl)CCCl MCULE-3656498608 [0,1,1,0,0,0|1,0,0]=3 1043 B5R0.1 CC(Cl)CCO MCULE-1955496242 [0,1,1,0,0,0|2,0,0]=4 1044 B5R0.1 CC(F)CCBr MCULE-3035340901 [0,1,1,0,0,0|1,1,0]=4 1045 B5R0.1 CC(F)CCI MCULE-6469250150 [0,1,1,0,0,0|1,1,0]=4 1046 B5R0.1 CC(F)CCN MCULE-2805813131 [0,1,1,0,0,0|2,0,0]=4 1047 B5R0.1 CC(F)CCN MCULE-5849913362 [0,1,1,0,0,0|2,0,0]=4 1048 B5R0.1 CC(N)CC#N MCULE-2350352782 [0,1,1,0,0,0|2,0,0]=4 1049 B5R0.1 CC(N)CC#N MCULE-7269201059 [0,1,1,0,0,0|2,0,0]=4 1050 B5R0.1 CC(N)CCN MCULE-5308134596 [0,1,1,0,0,0|2,0,0]=4 1051 B5R0.1 CC(N)CCN MCULE-5880045507 [0,1,1,0,0,0|2,0,0]=4 1052 B5R0.1 CC(N)CCN MCULE-7827515430 [0,1,1,0,0,0|2,0,0]=4 1053 B5R0.1 CC(N)CCO MCULE-1771399942 [0,1,1,0,0,0|2,0,0]=4 1054 B5R0.1 CC(N)CCO MCULE-7239872808 [0,1,1,0,0,0|2,0,0]=4 1055 B5R0.1 CC(O)CC#N MCULE-7172428142 [0,1,1,0,0,0|1,0,0]=3 1056 B5R0.1 CC(O)CCBr MCULE-7983169885 [0,1,1,0,0,0|0,1,0]=3 1057 B5R0.1 CC(O)CCCl MCULE-2952545606 [0,1,1,0,0,0|0,0,0]=2 1058 B5R0.1 CC(O)CCN MCULE-6836791276 [0,1,1,0,0,0|1,0,0]=3 1059 B5R0.1 CC(O)CCN MCULE-7186260925 [0,1,1,0,0,0|1,0,0]=3 1060 B5R0.1 CC(O)CCO MCULE-1694239851 [0,1,1,0,0,0|1,0,0]=3 1061 B5R0.1 CC(O)CCO MCULE-7784884948 [0,1,1,0,0,0|1,0,0]=3 1062 B5R0.1 CC(O)CNN MCULE-4956670781 [0,1,1,0,0,0|1,0,0]=3 1063 B5R0.1 CC(O)CNN MCULE-7917439573 [0,1,1,0,0,0|1,0,0]=3 1064 B5R0.1 CC(O)CON MCULE-1051091134 [0,1,1,0,0,0|1,0,0]=3 1065 B5R0.1 CC(O)CON MCULE-6722092589 [0,1,1,0,0,0|1,0,0]=3 1066 B5R0.1 CC(S)CCO MCULE-5702212503 [0,1,1,0,0,0|1,1,0]=4 1067 B5R0.1 CC=CC(C)O MCULE-4806592836 [0,1,1,0,0,0|1,0,1]=4 1068 B5R0.1 CCCC(C)Br MCULE-3178073667 [0,1,1,0,0,0|2,0,0]=4 1069 B5R0.1 CCCC(C)C MCULE-9604552974 [0,1,1,0,0,0|2,0,0]=4 1070 B5R0.1 CCCC(C)N MCULE-2640298430 [0,1,1,0,0,0|2,0,0]=4 1071 B5R0.1 CCCC(C)N MCULE-7225905167 [0,1,1,0,0,0|2,0,0]=4 1072 B5R0.1 CCCC(C)O MCULE-8205906299 [0,1,1,0,0,0|1,0,0]=3 1073 B5R0.1 CCCC(C)S MCULE-1649095713 [0,1,1,0,0,0|1,1,0]=4 1074 B5R0.1 CCCC(O)Cl MCULE-3188577082 [0,1,1,0,0,0|2,0,0]=4 1075 B5R0.1 CCC[C@@H](C)N MCULE-2394536966 [0,1,1,0,0,0|2,0,0]=4 1076 B5R0.1 CCC[C@@H](C)N MCULE-3008898216 [0,1,1,0,0,0|2,0,0]=4 1077 B5R0.1 CCC[C@@H](C)N MCULE-5656861143 [0,1,1,0,0,0|2,0,0]=4 1078 B5R0.1 CCC[C@@H](C)N MCULE-8113159645 [0,1,1,0,0,0|2,0,0]=4 1079 B5R0.1 CCC[C@@H](C)O MCULE-1540573875 [0,1,1,0,0,0|1,0,0]=3 1080 B5R0.1 CCC[C@H](C)N MCULE-2068574015 [0,1,1,0,0,0|2,0,0]=4 1081 B5R0.1 CCC[C@H](C)N MCULE-3439133019 [0,1,1,0,0,0|2,0,0]=4 1082 B5R0.1 CCC[C@H](C)N MCULE-5495177657 [0,1,1,0,0,0|2,0,0]=4 1083 B5R0.1 CCC[C@H](C)N MCULE-7962028651 [0,1,1,0,0,0|2,0,0]=4 1084 B5R0.1 CCC[C@H](C)O MCULE-6976816276 [0,1,1,0,0,0|1,0,0]=3 1085 B5R0.1 CCNC(C)C MCULE-8064118469 [0,1,1,0,0,0|2,0,0]=4 1086 B5R0.1 CCOC(C)C MCULE-1934548340 [0,1,1,0,0,0|2,0,0]=4 1087 B5R0.1 CCOC(C)Cl MCULE-8486994638 [0,1,1,0,0,0|2,0,0]=4 1088 B5R0.1 CCSC(C)C MCULE-3738251898 [0,1,1,0,0,0|2,0,0]=4 1089 B5R0.1 CN(C)CCCl MCULE-4297554717 [0,1,1,0,0,0|2,0,0]=4 1090 B5R0.1 CN(C)CCCl MCULE-4465544992 [0,1,1,0,0,0|2,0,0]=4 1091 B5R0.1 CNCC(C)C MCULE-6582386339 [0,1,1,0,0,0|2,0,0]=4 1092 B5R0.1 CNCC(C)C MCULE-6856717783 [0,1,1,0,0,0|2,0,0]=4 1093 B5R0.1 CNCC(C)F MCULE-4381138647 [0,1,1,0,0,0|2,0,0]=4 1094 B5R0.1 CNCC(C)F MCULE-9018181183 [0,1,1,0,0,0|2,0,0]=4 1095 B5R0.1 CNCC(C)O MCULE-3671071529 [0,1,1,0,0,0|1,0,0]=3 1096 B5R0.1 CNCC(C)O MCULE-4171705304 [0,1,1,0,0,0|1,0,0]=3 1097 B5R0.1 CNC[C@@H](C)O MCULE-2953164520 [0,1,1,0,0,0|1,0,0]=3 1098 B5R0.1 CNC[C@@H](C)O MCULE-3161721140 [0,1,1,0,0,0|1,0,0]=3 1099 B5R0.1 CNC[C@@H](C)O MCULE-6218150837 [0,1,1,0,0,0|1,0,0]=3 1100 B5R0.1 CNC[C@@H](C)O MCULE-8245274547 [0,1,1,0,0,0|1,0,0]=3 1101 B5R0.1 CNC[C@H](C)O MCULE-2655303492 [0,1,1,0,0,0|1,0,0]=3 1102 B5R0.1 CNC[C@H](C)O MCULE-7346940457 [0,1,1,0,0,0|1,0,0]=3 1103 B5R0.1 COCC(C)Br MCULE-6850689931 [0,1,1,0,0,0|2,0,0]=4 1104 B5R0.1 COCC(C)I MCULE-8608265714 [0,1,1,0,0,0|2,0,0]=4 1105 B5R0.1 COCC(C)N MCULE-1896873634 [0,1,1,0,0,0|2,0,0]=4 1106 B5R0.1 COCC(C)N MCULE-2549420211 [0,1,1,0,0,0|2,0,0]=4 1107 B5R0.1 COCC(C)N MCULE-3490410444 [0,1,1,0,0,0|2,0,0]=4 1108 B5R0.1 COCC(C)N MCULE-7089888882 [0,1,1,0,0,0|2,0,0]=4 1109 B5R0.1 COCC(C)O MCULE-4022733014 [0,1,1,0,0,0|1,0,0]=3 1110 B5R0.1 COCC(C)O MCULE-7513310960 [0,1,1,0,0,0|1,0,0]=3 1111 B5R0.1 COC[C@@H](C)N MCULE-1225912236 [0,1,1,0,0,0|2,0,0]=4 1112 B5R0.1 COC[C@@H](C)N MCULE-2754628271 [0,1,1,0,0,0|2,0,0]=4 1113 B5R0.1 COC[C@@H](C)N MCULE-4676764915 [0,1,1,0,0,0|2,0,0]=4 1114 B5R0.1 COC[C@@H](C)N MCULE-8891950737 [0,1,1,0,0,0|2,0,0]=4 1115 B5R0.1 COC[C@@H](C)O MCULE-6287552520 [0,1,1,0,0,0|1,0,0]=3 1116 B5R0.1 COC[C@@H](C)O MCULE-7942118801 [0,1,1,0,0,0|1,0,0]=3 1117 B5R0.1 COC[C@H](C)N MCULE-2465679418 [0,1,1,0,0,0|2,0,0]=4 1118 B5R0.1 COC[C@H](C)N MCULE-2998593539 [0,1,1,0,0,0|2,0,0]=4 1119 B5R0.1 COC[C@H](C)N MCULE-3161045661 [0,1,1,0,0,0|2,0,0]=4 1120 B5R0.1 COC[C@H](C)N MCULE-9550165578 [0,1,1,0,0,0|2,0,0]=4 1121 B5R0.1 COC[C@H](C)O MCULE-5908531683 [0,1,1,0,0,0|1,0,0]=3 1122 B5R0.1 COC[C@H](C)O MCULE-8619138238 [0,1,1,0,0,0|1,0,0]=3 1123 B5R0.1 CS(=O)CCCl MCULE-7012781505 [0,1,1,0,0,0|1,0,1]=4 1124 B5R0.1 CSCC(C)N MCULE-7985946030 [0,1,1,0,0,0|2,0,0]=4 1125 B5R0.1 CSCC(C)O MCULE-2227652351 [0,1,1,0,0,0|1,0,0]=3 1126 B5R0.1 C[C@@H](N)CC#N MCULE-1923686728 [0,1,1,0,0,0|2,0,0]=4 1127 B5R0.1 C[C@@H](N)CC#N MCULE-5694530830 [0,1,1,0,0,0|2,0,0]=4 1128 B5R0.1 C[C@@H](N)CC#N MCULE-8880445785 [0,1,1,0,0,0|2,0,0]=4 1129 B5R0.1 C[C@@H](N)CC#N MCULE-9410509782 [0,1,1,0,0,0|2,0,0]=4 1130 B5R0.1 C[C@@H](N)CCO MCULE-4224878672 [0,1,1,0,0,0|2,0,0]=4 1131 B5R0.1 C[C@@H](N)CCO MCULE-5727539473 [0,1,1,0,0,0|2,0,0]=4 1132 B5R0.1 C[C@@H](O)CC#N MCULE-2879004464 [0,1,1,0,0,0|1,0,0]=3 1133 B5R0.1 C[C@@H](O)CCN MCULE-7588849994 [0,1,1,0,0,0|1,0,0]=3 1134 B5R0.1 C[C@@H](O)CCN MCULE-7895006310 [0,1,1,0,0,0|1,0,0]=3 1135 B5R0.1 C[C@@H](O)CCN MCULE-9071323255 [0,1,1,0,0,0|1,0,0]=3 1136 B5R0.1 C[C@@H](O)CCN MCULE-9627550610 [0,1,1,0,0,0|1,0,0]=3 1137 B5R0.1 C[C@@H](O)CCO MCULE-6277947442 [0,1,1,0,0,0|1,0,0]=3 1138 B5R0.1 C[C@@H](O)CCO MCULE-9742368348 [0,1,1,0,0,0|1,0,0]=3 1139 B5R0.1 C[C@@H](O)CON MCULE-3740397343 [0,1,1,0,0,0|1,0,0]=3 1140 B5R0.1 C[C@@H](O)CON MCULE-8274376872 [0,1,1,0,0,0|1,0,0]=3 1141 B5R0.1 C[C@H](N)CC#N MCULE-1876010727 [0,1,1,0,0,0|2,0,0]=4 1142 B5R0.1 C[C@H](N)CC#N MCULE-6927344020 [0,1,1,0,0,0|2,0,0]=4 1143 B5R0.1 C[C@H](N)CC#N MCULE-9082410813 [0,1,1,0,0,0|2,0,0]=4 1144 B5R0.1 C[C@H](N)CC#N MCULE-9498047771 [0,1,1,0,0,0|2,0,0]=4 1145 B5R0.1 C[C@H](N)CCO MCULE-1496375567 [0,1,1,0,0,0|2,0,0]=4 1146 B5R0.1 C[C@H](N)CCO MCULE-4744824708 [0,1,1,0,0,0|2,0,0]=4 1147 B5R0.1 C[C@H](N)CCO MCULE-7219173683 [0,1,1,0,0,0|2,0,0]=4 1148 B5R0.1 C[C@H](N)CCO MCULE-9164942837 [0,1,1,0,0,0|2,0,0]=4 1149 B5R0.1 C[C@H](O)CC#N MCULE-1968982761 [0,1,1,0,0,0|1,0,0]=3 1150 B5R0.1 C[C@H](O)CCN MCULE-7570743309 [0,1,1,0,0,0|1,0,0]=3 1151 B5R0.1 C[C@H](O)CCN MCULE-9428853702 [0,1,1,0,0,0|1,0,0]=3 1152 B5R0.1 C[C@H](O)CCO MCULE-2504912618 [0,1,1,0,0,0|1,0,0]=3 1153 B5R0.1 C[C@H](O)CCO MCULE-2958119786 [0,1,1,0,0,0|1,0,0]=3 1154 B5R0.1 C[C@H](O)CON MCULE-4216605221 [0,1,1,0,0,0|1,0,0]=3 1155 B5R0.1 C[C@H](O)CON MCULE-9863094719 [0,1,1,0,0,0|1,0,0]=3 1156 B5R0.1 C[S+](C)CCCl MCULE-1305595131 [0,1,1,0,0,0|2,0,0]=4 1157 B5R0.1 C[S+](C)CCCl MCULE-9761617787 [0,1,1,0,0,0|2,0,0]=4 1158 B5R0.1 O=C(O)CCCl MCULE-8511144183 [0,1,1,0,0,0|1,0,1]=4 1159 B5R0.1 [C@@H](C)(O)CCC MCULE-9717120293 [0,1,1,0,0,0|1,0,0]=3 1160 B5R0.1 [C@@H](C)(O)CNC MCULE-2044067921 [0,1,1,0,0,0|1,0,0]=3 1161 B5R0.1 [C@H](C)(O)CC#N MCULE-6894178072 [0,1,1,0,0,0|1,0,0]=3 1162 B5R0.1 [C@H](C)(O)CCC MCULE-2689023898 [0,1,1,0,0,0|1,0,0]=3 1163 B5R0.3 BrCC(Br)CBr MCULE-7323713039 [0,1,1,0,0,0|1,1,0]=4 1164 B5R0.3 C#CC(C)OC MCULE-3702592933 [0,1,1,0,0,0|1,0,1]=4 1165 B5R0.3 C#CC(C)OC MCULE-3806443816 [0,1,1,0,0,0|1,0,1]=4 1166 B5R0.3 C#CC(O)CC MCULE-9890863731 [0,1,1,0,0,0|1,0,1]=4 1167 B5R0.3 C#C[C@H](C)OC MCULE-9002531152 [0,1,1,0,0,0|1,0,1]=4 1168 B5R0.3 C=C(CCl)CCl MCULE-2574913289 [0,1,1,0,0,0|1,0,1]=4 1169 B5R0.3 C=CC(C)CC MCULE-8112547661 [0,1,1,0,0,0|2,0,0]=4 1170 B5R0.3 C=CC(C)ON MCULE-2385478473 [0,1,1,0,0,0|1,0,1]=4 1171 B5R0.3 C=CC(C)ON MCULE-3428023923 [0,1,1,0,0,0|1,0,1]=4 1172 B5R0.3 C=CC(Cl)CCl MCULE-8000466907 [0,1,1,0,0,0|1,0,1]=4 1173 B5R0.3 C=CC(O)CBr MCULE-3538023814 [0,1,1,0,0,0|0,1,1]=4 1174 B5R0.3 C=CC(O)CC MCULE-2794806228 [0,1,1,0,0,0|1,0,1]=4 1175 B5R0.3 C=CC(O)CN MCULE-3472823475 [0,1,1,0,0,0|1,0,1]=4 1176 B5R0.3 C=CC(O)CO MCULE-6172654550 [0,1,1,0,0,0|1,0,1]=4 1177 B5R0.3 C=C[C@@H](O)CO MCULE-5957455616 [0,1,1,0,0,0|1,0,1]=4 1178 B5R0.3 C=C[C@H](O)CO MCULE-6068203844 [0,1,1,0,0,0|1,0,1]=4 1179 B5R0.3 C=C[C@H](O)CO MCULE-9367072182 [0,1,1,0,0,0|1,0,1]=4 1180 B5R0.3 CC(=CCl)CCl MCULE-2732105685 [0,1,1,0,0,0|1,0,1]=4 1181 B5R0.3 CC(=NO)CS MCULE-9694340512 [0,1,1,0,0,0|1,0,1]=4 1182 B5R0.3 CC(C#N)CCl MCULE-9290621020 [0,1,1,0,0,0|1,0,0]=3 1183 B5R0.3 CC(C#N)CN MCULE-8151367276 [0,1,1,0,0,0|2,0,0]=4 1184 B5R0.3 CC(C#N)CO MCULE-1644391554 [0,1,1,0,0,0|1,0,1]=4 1185 B5R0.3 CC(CBr)CBr MCULE-7586113999 [0,1,1,0,0,0|1,1,0]=4 1186 B5R0.3 CC(CCl)CBr MCULE-5101754687 [0,1,1,0,0,0|1,0,0]=3 1187 B5R0.3 CC(CCl)CCl MCULE-1169456620 [0,1,1,0,0,0|1,0,0]=3 1188 B5R0.3 CC(CI)CI MCULE-4568725580 [0,1,1,0,0,0|1,1,0]=4 1189 B5R0.3 CC(CN)CCl MCULE-2423692318 [0,1,1,0,0,0|1,0,0]=3 1190 B5R0.3 CC(CN)CCl MCULE-8419541212 [0,1,1,0,0,0|1,0,0]=3 1191 B5R0.3 CC(CN)CN MCULE-1464804013 [0,1,1,0,0,0|2,0,0]=4 1192 B5R0.3 CC(CN)CN MCULE-3273307813 [0,1,1,0,0,0|2,0,0]=4 1193 B5R0.3 CC(CN)CO MCULE-5880795484 [0,1,1,0,0,0|1,0,0]=3 1194 B5R0.3 CC(CN)CO MCULE-8083007887 [0,1,1,0,0,0|1,0,0]=3 1195 B5R0.3 CC(CO)CBr MCULE-3815333295 [0,1,1,0,0,0|0,1,0]=3 1196 B5R0.3 CC(CO)CBr MCULE-5695891877 [0,1,1,0,0,0|0,1,0]=3 1197 B5R0.3 CC(CO)CO MCULE-2340730326 [0,1,1,0,0,0|1,0,0]=3 1198 B5R0.3 CC(CO)CS MCULE-1990992504 [0,1,1,0,0,0|1,0,0]=3 1199 B5R0.3 CC(CO)NN MCULE-3362748538 [0,1,1,0,0,0|2,0,0]=4 1200 B5R0.3 CC(CO)NN MCULE-4440318216 [0,1,1,0,0,0|2,0,0]=4 1201 B5R0.3 CC/C(=N/O)/C MCULE-9139048973 [0,1,1,0,0,0|1,0,1]=4 1202 B5R0.3 CC=C(C)CCl MCULE-2444762050 [0,1,1,0,0,0|1,0,1]=4 1203 B5R0.3 CCC(=NO)C MCULE-1859652505 [0,1,1,0,0,0|1,0,1]=4 1204 B5R0.3 CCC(=O)CCl MCULE-9019890380 [0,1,1,0,0,0|0,0,2]=4 1205 B5R0.3 CCC(Br)CBr MCULE-5254958560 [0,1,1,0,0,0|1,1,0]=4 1206 B5R0.3 CCC(Br)CC MCULE-7435628721 [0,1,1,0,0,0|2,0,0]=4 1207 B5R0.3 CCC(Br)CO MCULE-7211805716 [0,1,1,0,0,0|2,0,0]=4 1208 B5R0.3 CCC(C)C#N MCULE-6204122967 [0,1,1,0,0,0|2,0,0]=4 1209 B5R0.3 CCC(C)C=O MCULE-2523669899 [0,1,1,0,0,0|1,0,1]=4 1210 B5R0.3 CCC(C)CBr MCULE-5451416952 [0,1,1,0,0,0|1,1,0]=4 1211 B5R0.3 CCC(C)CC MCULE-2542807917 [0,1,1,0,0,0|2,0,0]=4 1212 B5R0.3 CCC(C)CCl MCULE-7450386476 [0,1,1,0,0,0|1,0,0]=3 1213 B5R0.3 CCC(C)CI MCULE-5444509280 [0,1,1,0,0,0|1,1,0]=4 1214 B5R0.3 CCC(C)CN MCULE-2777327284 [0,1,1,0,0,0|2,0,0]=4 1215 B5R0.3 CCC(C)CN MCULE-7014901600 [0,1,1,0,0,0|2,0,0]=4 1216 B5R0.3 CCC(C)CO MCULE-6521026296 [0,1,1,0,0,0|1,0,0]=3 1217 B5R0.3 CCC(C)CS MCULE-7795095685 [0,1,1,0,0,0|1,1,0]=4 1218 B5R0.3 CCC(C)NC MCULE-2676584804 [0,1,1,0,0,0|2,0,0]=4 1219 B5R0.3 CCC(C)NC MCULE-6158046887 [0,1,1,0,0,0|2,0,0]=4 1220 B5R0.3 CCC(C)NN MCULE-6074476998 [0,1,1,0,0,0|2,0,0]=4 1221 B5R0.3 CCC(C)NN MCULE-8130021960 [0,1,1,0,0,0|2,0,0]=4 1222 B5R0.3 CCC(C)NN MCULE-8519369369 [0,1,1,0,0,0|2,0,0]=4 1223 B5R0.3 CCC(C)NO MCULE-1247092627 [0,1,1,0,0,0|1,0,0]=3 1224 B5R0.3 CCC(C)NO MCULE-6169819668 [0,1,1,0,0,0|1,0,0]=3 1225 B5R0.3 CCC(C)OC MCULE-7354431606 [0,1,1,0,0,0|1,0,0]=3 1226 B5R0.3 CCC(C)ON MCULE-2907890438 [0,1,1,0,0,0|1,0,0]=3 1227 B5R0.3 CCC(C)ON MCULE-4364205813 [0,1,1,0,0,0|1,0,0]=3 1228 B5R0.3 CCC(Cl)CCl MCULE-5122022797 [0,1,1,0,0,0|1,0,0]=3 1229 B5R0.3 CCC(Cl)CO MCULE-1756262629 [0,1,1,0,0,0|2,0,0]=4 1230 B5R0.3 CCC(F)CBr MCULE-3226052264 [0,1,1,0,0,0|1,1,0]=4 1231 B5R0.3 CCC(F)CN MCULE-1291385596 [0,1,1,0,0,0|2,0,0]=4 1232 B5R0.3 CCC(F)CN MCULE-7421331323 [0,1,1,0,0,0|2,0,0]=4 1233 B5R0.3 CCC(I)CC MCULE-1119844552 [0,1,1,0,0,0|2,0,0]=4 1234 B5R0.3 CCC(N)CBr MCULE-3567691924 [0,1,1,0,0,0|1,1,0]=4 1235 B5R0.3 CCC(N)CC MCULE-4261937519 [0,1,1,0,0,0|2,0,0]=4 1236 B5R0.3 CCC(N)CC MCULE-5899128891 [0,1,1,0,0,0|2,0,0]=4 1237 B5R0.3 CCC(N)CN MCULE-6911484065 [0,1,1,0,0,0|2,0,0]=4 1238 B5R0.3 CCC(N)CN MCULE-8376506697 [0,1,1,0,0,0|2,0,0]=4 1239 B5R0.3 CCC(N)CO MCULE-1135809021 [0,1,1,0,0,0|2,0,0]=4 1240 B5R0.3 CCC(N)CO MCULE-7588854111 [0,1,1,0,0,0|2,0,0]=4 1241 B5R0.3 CCC(O)C#N MCULE-5389816542 [0,1,1,0,0,0|1,0,1]=4 1242 B5R0.3 CCC(O)CBr MCULE-4205031860 [0,1,1,0,0,0|0,1,0]=3 1243 B5R0.3 CCC(O)CC MCULE-5553645045 [0,1,1,0,0,0|1,0,0]=3 1244 B5R0.3 CCC(O)CCl MCULE-8359810208 [0,1,1,0,0,0|0,0,0]=2 1245 B5R0.3 CCC(O)CN MCULE-5197026448 [0,1,1,0,0,0|1,0,0]=3 1246 B5R0.3 CCC(O)CO MCULE-2488753438 [0,1,1,0,0,0|1,0,0]=3 1247 B5R0.3 CCC(O)CO MCULE-7297282094 [0,1,1,0,0,0|1,0,0]=3 1248 B5R0.3 CCC(S)CC MCULE-2556259434 [0,1,1,0,0,0|1,1,0]=4 1249 B5R0.3 CCC(S)CS MCULE-9332449950 [0,1,1,0,0,0|1,1,0]=4 1250 B5R0.3 CCC([NH3+])CBr MCULE-6971158198 [0,1,1,0,0,0|1,1,0]=4 1251 B5R0.3 CCN(O)CC MCULE-6022935768 [0,1,1,0,0,0|2,0,0]=4 1252 B5R0.3 CC[C@@H](C)CBr MCULE-5675886072 [0,1,1,0,0,0|1,1,0]=4 1253 B5R0.3 CC[C@@H](C)CN MCULE-7612408107 [0,1,1,0,0,0|2,0,0]=4 1254 B5R0.3 CC[C@@H](C)CO MCULE-6700783698 [0,1,1,0,0,0|1,0,0]=3 1255 B5R0.3 CC[C@@H](C)CO MCULE-8175790803 [0,1,1,0,0,0|1,0,0]=3 1256 B5R0.3 CC[C@@H](N)CO MCULE-3821348404 [0,1,1,0,0,0|2,0,0]=4 1257 B5R0.3 CC[C@@H](N)CO MCULE-7190248306 [0,1,1,0,0,0|2,0,0]=4 1258 B5R0.3 CC[C@@H](O)CN MCULE-2854535153 [0,1,1,0,0,0|1,0,0]=3 1259 B5R0.3 CC[C@@H](O)CN MCULE-8228547956 [0,1,1,0,0,0|1,0,0]=3 1260 B5R0.3 CC[C@@H](O)CO MCULE-3948477298 [0,1,1,0,0,0|1,0,0]=3 1261 B5R0.3 CC[C@@H](O)CO MCULE-5098109795 [0,1,1,0,0,0|1,0,0]=3 1262 B5R0.3 CC[C@H](C)C#N MCULE-9118306872 [0,1,1,0,0,0|2,0,0]=4 1263 B5R0.3 CC[C@H](C)CBr MCULE-3263714447 [0,1,1,0,0,0|1,1,0]=4 1264 B5R0.3 CC[C@H](C)CBr MCULE-3384648570 [0,1,1,0,0,0|1,1,0]=4 1265 B5R0.3 CC[C@H](C)CCl MCULE-6795758745 [0,1,1,0,0,0|1,0,0]=3 1266 B5R0.3 CC[C@H](C)CCl MCULE-8147276830 [0,1,1,0,0,0|1,0,0]=3 1267 B5R0.3 CC[C@H](C)CI MCULE-9690776923 [0,1,1,0,0,0|1,1,0]=4 1268 B5R0.3 CC[C@H](C)CN MCULE-1380819951 [0,1,1,0,0,0|2,0,0]=4 1269 B5R0.3 CC[C@H](C)CN MCULE-1396096112 [0,1,1,0,0,0|2,0,0]=4 1270 B5R0.3 CC[C@H](C)CN MCULE-2971933862 [0,1,1,0,0,0|2,0,0]=4 1271 B5R0.3 CC[C@H](C)CN MCULE-3698084674 [0,1,1,0,0,0|2,0,0]=4 1272 B5R0.3 CC[C@H](C)CO MCULE-1493424061 [0,1,1,0,0,0|1,0,0]=3 1273 B5R0.3 CC[C@H](C)CO MCULE-6879443668 [0,1,1,0,0,0|1,0,0]=3 1274 B5R0.3 CC[C@H](N)CF MCULE-3646304583 [0,1,1,0,0,0|1,1,0]=4 1275 B5R0.3 CC[C@H](N)CF MCULE-4493834638 [0,1,1,0,0,0|1,1,0]=4 1276 B5R0.3 CC[C@H](N)CO MCULE-5500083870 [0,1,1,0,0,0|2,0,0]=4 1277 B5R0.3 CC[C@H](N)CO MCULE-6312512384 [0,1,1,0,0,0|2,0,0]=4 1278 B5R0.3 CC[C@H](O)CN MCULE-4385930741 [0,1,1,0,0,0|1,0,0]=3 1279 B5R0.3 CC[C@H](O)CO MCULE-2194264642 [0,1,1,0,0,0|1,0,0]=3 1280 B5R0.3 CC[C@H](O)CO MCULE-5503575962 [0,1,1,0,0,0|1,0,0]=3 1281 B5R0.3 CNC(=O)CCl MCULE-1437904095 [0,1,1,0,0,0|0,0,2]=4 1282 B5R0.3 CNC(C)CN MCULE-1599162912 [0,1,1,0,0,0|2,0,0]=4 1283 B5R0.3 CNC(C)CN MCULE-1637391260 [0,1,1,0,0,0|2,0,0]=4 1284 B5R0.3 CNC(C)CO MCULE-3841057780 [0,1,1,0,0,0|2,0,0]=4 1285 B5R0.3 CNC(C)CO MCULE-6474892275 [0,1,1,0,0,0|2,0,0]=4 1286 B5R0.3 CN[C@@H](C)CO MCULE-1633741835 [0,1,1,0,0,0|2,0,0]=4 1287 B5R0.3 CN[C@@H](C)CO MCULE-6736108875 [0,1,1,0,0,0|2,0,0]=4 1288 B5R0.3 CN[C@@H](C)CO MCULE-7554801630 [0,1,1,0,0,0|2,0,0]=4 1289 B5R0.3 CN[C@@H](C)CO MCULE-9312521497 [0,1,1,0,0,0|2,0,0]=4 1290 B5R0.3 CN[C@H](C)CO MCULE-2402322400 [0,1,1,0,0,0|2,0,0]=4 1291 B5R0.3 CN[C@H](C)CO MCULE-4362091386 [0,1,1,0,0,0|2,0,0]=4 1292 B5R0.3 CN[C@H](C)CO MCULE-5426855707 [0,1,1,0,0,0|2,0,0]=4 1293 B5R0.3 CN[C@H](C)CO MCULE-9777995604 [0,1,1,0,0,0|2,0,0]=4 1294 B5R0.3 COC(=N)CCl MCULE-2713131753 [0,1,1,0,0,0|1,0,1]=4 1295 B5R0.3 COC(=N)CCl MCULE-6471252676 [0,1,1,0,0,0|1,0,1]=4 1296 B5R0.3 COC(=O)CCl MCULE-5886832940 [0,1,1,0,0,0|0,0,2]=4 1297 B5R0.3 COC(C)C#N MCULE-7716445717 [0,1,1,0,0,0|1,0,1]=4 1298 B5R0.3 COC(C)CBr MCULE-6831960550 [0,1,1,0,0,0|0,1,0]=3 1299 B5R0.3 COC(C)CCl MCULE-6614968111 [0,1,1,0,0,0|0,0,0]=2 1300 B5R0.3 COC(C)CI MCULE-9561627722 [0,1,1,0,0,0|0,1,0]=3 1301 B5R0.3 COC(C)CN MCULE-1378513525 [0,1,1,0,0,0|1,0,0]=3 1302 B5R0.3 COC(C)CN MCULE-6114730248 [0,1,1,0,0,0|1,0,0]=3 1303 B5R0.3 COC(C)CN MCULE-7516064224 [0,1,1,0,0,0|1,0,0]=3 1304 B5R0.3 COC(C)CN MCULE-8277408054 [0,1,1,0,0,0|1,0,0]=3 1305 B5R0.3 COC(C)CO MCULE-5269990702 [0,1,1,0,0,0|1,0,0]=3 1306 B5R0.3 COC(C)CO MCULE-7173093332 [0,1,1,0,0,0|1,0,0]=3 1307 B5R0.3 COC(C)OC MCULE-8241616143 [0,1,1,0,0,0|2,0,0]=4 1308 B5R0.3 CO[C@@H](C)C#N MCULE-1453263443 [0,1,1,0,0,0|1,0,1]=4 1309 B5R0.3 CO[C@@H](C)CN MCULE-1448950160 [0,1,1,0,0,0|1,0,0]=3 1310 B5R0.3 CO[C@@H](C)CN MCULE-3784073249 [0,1,1,0,0,0|1,0,0]=3 1311 B5R0.3 CO[C@@H](C)CN MCULE-6073633931 [0,1,1,0,0,0|1,0,0]=3 1312 B5R0.3 CO[C@@H](C)CN MCULE-9516756218 [0,1,1,0,0,0|1,0,0]=3 1313 B5R0.3 CO[C@@H](C)CO MCULE-5600457791 [0,1,1,0,0,0|1,0,0]=3 1314 B5R0.3 CO[C@@H](C)CO MCULE-7981152382 [0,1,1,0,0,0|1,0,0]=3 1315 B5R0.3 CO[C@H](C)CN MCULE-4143562009 [0,1,1,0,0,0|1,0,0]=3 1316 B5R0.3 CO[C@H](C)CN MCULE-4184510827 [0,1,1,0,0,0|1,0,0]=3 1317 B5R0.3 CO[C@H](C)CN MCULE-9625722424 [0,1,1,0,0,0|1,0,0]=3 1318 B5R0.3 CO[C@H](C)CN MCULE-9882567615 [0,1,1,0,0,0|1,0,0]=3 1319 B5R0.3 CO[C@H](C)CO MCULE-4211976708 [0,1,1,0,0,0|1,0,0]=3 1320 B5R0.3 CO[C@H](C)CO MCULE-7592020348 [0,1,1,0,0,0|1,0,0]=3 1321 B5R0.3 CSC(C)CN MCULE-8841622109 [0,1,1,0,0,0|1,1,0]=4 1322 B5R0.3 CSC(C)CO MCULE-4646435737 [0,1,1,0,0,0|1,1,0]=4 1323 B5R0.3 C[C@@H](CN)CO MCULE-4662215148 [0,1,1,0,0,0|1,0,0]=3 1324 B5R0.3 C[C@@H](CN)CO MCULE-7870198689 [0,1,1,0,0,0|1,0,0]=3 1325 B5R0.3 C[C@@H](CO)CBr MCULE-3691541800 [0,1,1,0,0,0|0,1,0]=3 1326 B5R0.3 C[C@@H](CO)CBr MCULE-4447849056 [0,1,1,0,0,0|0,1,0]=3 1327 B5R0.3 C[C@H](CO)CBr MCULE-4031825779 [0,1,1,0,0,0|0,1,0]=3 1328 B5R0.3 C[C@H](CO)CBr MCULE-6846167456 [0,1,1,0,0,0|0,1,0]=3 1329 B5R0.3 ClCC(Br)CBr MCULE-2454576835 [0,1,1,0,0,0|1,0,0]=3 1330 B5R0.3 ClCC(Cl)CCl MCULE-3839333809 [0,1,1,0,0,0|1,0,0]=3 1331 B5R0.3 FCC(Br)CBr MCULE-3296621964 [0,1,1,0,0,0|1,1,0]=4 1332 B5R0.3 FCC(Cl)CF MCULE-6083002482 [0,1,1,0,0,0|1,1,0]=4 1333 B5R0.3 FCC(I)CF MCULE-1837926612 [0,1,1,0,0,0|1,1,0]=4 1334 B5R0.3 N#CC(Cl)CCl MCULE-2637194973 [0,1,1,0,0,0|1,0,1]=4 1335 B5R0.3 N/C(=N\O)/CCl MCULE-4486676288 [0,1,1,0,0,0|1,0,1]=4 1336 B5R0.3 NC(CF)CF MCULE-4671221738 [0,1,1,0,0,0|1,1,0]=4 1337 B5R0.3 NC(CF)CF MCULE-8916274721 [0,1,1,0,0,0|1,1,0]=4 1338 B5R0.3 NC(CO)CF MCULE-3756808200 [0,1,1,0,0,0|1,1,0]=4 1339 B5R0.3 NC(CO)CF MCULE-9468719402 [0,1,1,0,0,0|1,1,0]=4 1340 B5R0.3 NC(CO)CO MCULE-1559988016 [0,1,1,0,0,0|2,0,0]=4 1341 B5R0.3 NC(CO)CO MCULE-4954119952 [0,1,1,0,0,0|2,0,0]=4 1342 B5R0.3 NCC(Br)CBr MCULE-4507622045 [0,1,1,0,0,0|1,1,0]=4 1343 B5R0.3 NCC(Br)CBr MCULE-9707598399 [0,1,1,0,0,0|1,1,0]=4 1344 B5R0.3 NCC(F)CN MCULE-8855486562 [0,1,1,0,0,0|2,0,0]=4 1345 B5R0.3 NCC(F)CO MCULE-6156319956 [0,1,1,0,0,0|2,0,0]=4 1346 B5R0.3 NCC(F)CO MCULE-7472307328 [0,1,1,0,0,0|2,0,0]=4 1347 B5R0.3 NCC(O)CCl MCULE-1566349721 [0,1,1,0,0,0|0,0,0]=2 1348 B5R0.3 NCC(O)CCl MCULE-3532626994 [0,1,1,0,0,0|0,0,0]=2 1349 B5R0.3 NCC(O)CCl MCULE-5045913208 [0,1,1,0,0,0|0,0,0]=2 1350 B5R0.3 NCC(O)CCl MCULE-7168455596 [0,1,1,0,0,0|0,0,0]=2 1351 B5R0.3 NCC(O)CF MCULE-7529777116 [0,1,1,0,0,0|0,1,0]=3 1352 B5R0.3 NCC(O)CF MCULE-8092861019 [0,1,1,0,0,0|0,1,0]=3 1353 B5R0.3 NCC(O)CN MCULE-4689186078 [0,1,1,0,0,0|1,0,0]=3 1354 B5R0.3 NCC(O)CO MCULE-2689763818 [0,1,1,0,0,0|1,0,0]=3 1355 B5R0.3 NCC(O)CO MCULE-6096620010 [0,1,1,0,0,0|1,0,0]=3 1356 B5R0.3 NCC(O)CO MCULE-7307777212 [0,1,1,0,0,0|1,0,0]=3 1357 B5R0.3 NC[C@@H](F)CO MCULE-3273711180 [0,1,1,0,0,0|2,0,0]=4 1358 B5R0.3 NC[C@@H](F)CO MCULE-6673969522 [0,1,1,0,0,0|2,0,0]=4 1359 B5R0.3 NC[C@@H](N)CO MCULE-7333007012 [0,1,1,0,0,0|2,0,0]=4 1360 B5R0.3 NC[C@@H](N)CO MCULE-9200386635 [0,1,1,0,0,0|2,0,0]=4 1361 B5R0.3 NC[C@@H](O)CCl MCULE-1905964392 [0,1,1,0,0,0|0,0,0]=2 1362 B5R0.3 NC[C@@H](O)CCl MCULE-5592096864 [0,1,1,0,0,0|0,0,0]=2 1363 B5R0.3 NC[C@@H](O)CCl MCULE-5723497450 [0,1,1,0,0,0|0,0,0]=2 1364 B5R0.3 NC[C@@H](O)CCl MCULE-7112738263 [0,1,1,0,0,0|0,0,0]=2 1365 B5R0.3 NC[C@@H](O)CO MCULE-7897503444 [0,1,1,0,0,0|1,0,0]=3 1366 B5R0.3 NC[C@@H](O)CO MCULE-8044821624 [0,1,1,0,0,0|1,0,0]=3 1367 B5R0.3 NC[C@@H](O)CO MCULE-9443333756 [0,1,1,0,0,0|1,0,0]=3 1368 B5R0.3 NC[C@H](F)CO MCULE-2595736378 [0,1,1,0,0,0|2,0,0]=4 1369 B5R0.3 NC[C@H](F)CO MCULE-7417074078 [0,1,1,0,0,0|2,0,0]=4 1370 B5R0.3 NC[C@H](F)CO MCULE-7938231499 [0,1,1,0,0,0|2,0,0]=4 1371 B5R0.3 NC[C@H](N)CO MCULE-1060049548 [0,1,1,0,0,0|2,0,0]=4 1372 B5R0.3 NC[C@H](N)CO MCULE-9942356112 [0,1,1,0,0,0|2,0,0]=4 1373 B5R0.3 NC[C@H](O)CBr MCULE-4679771824 [0,1,1,0,0,0|0,1,0]=3 1374 B5R0.3 NC[C@H](O)CBr MCULE-4785059460 [0,1,1,0,0,0|0,1,0]=3 1375 B5R0.3 NC[C@H](O)CCl MCULE-3625478007 [0,1,1,0,0,0|0,0,0]=2 1376 B5R0.3 NC[C@H](O)CCl MCULE-6692503791 [0,1,1,0,0,0|0,0,0]=2 1377 B5R0.3 NC[C@H](O)CO MCULE-5835551322 [0,1,1,0,0,0|1,0,0]=3 1378 B5R0.3 NC[C@H](O)CO MCULE-6021133883 [0,1,1,0,0,0|1,0,0]=3 1379 B5R0.3 NC[C@H](O)CO MCULE-7461568841 [0,1,1,0,0,0|1,0,0]=3 1380 B5R0.3 NC[C@H](O)CO MCULE-8112454132 [0,1,1,0,0,0|1,0,0]=3 1381 B5R0.3 N[C@@H](CO)CF MCULE-1103631898 [0,1,1,0,0,0|1,1,0]=4 1382 B5R0.3 N[C@@H](CO)CF MCULE-1137418239 [0,1,1,0,0,0|1,1,0]=4 1383 B5R0.3 N[C@@H](CO)CF MCULE-7452275160 [0,1,1,0,0,0|1,1,0]=4 1384 B5R0.3 N[C@@H](CO)CF MCULE-9154795583 [0,1,1,0,0,0|1,1,0]=4 1385 B5R0.3 N[C@H](CO)CF MCULE-1070351343 [0,1,1,0,0,0|1,1,0]=4 1386 B5R0.3 N[C@H](CO)CF MCULE-4715788718 [0,1,1,0,0,0|1,1,0]=4 1387 B5R0.3 N[C@H](CO)CF MCULE-8220585202 [0,1,1,0,0,0|1,1,0]=4 1388 B5R0.3 N[C@H](CO)CF MCULE-8991857376 [0,1,1,0,0,0|1,1,0]=4 1389 B5R0.3 O=C(CCl)CCl MCULE-2048636813 [0,1,1,0,0,0|0,0,2]=4 1390 B5R0.3 O=CC(O)CO MCULE-9581740191 [0,1,1,0,0,0|1,0,1]=4 1391 B5R0.3 O=C[C@@H](O)CO MCULE-3883857491 [0,1,1,0,0,0|1,0,1]=4 1392 B5R0.3 O=C[C@@H](O)CO MCULE-7852783182 [0,1,1,0,0,0|1,0,1]=4 1393 B5R0.3 O=C[C@H](O)CO MCULE-4574984840 [0,1,1,0,0,0|1,0,1]=4 1394 B5R0.3 OC(CBr)CBr MCULE-9071238259 [0,1,1,0,0,0|0,1,0]=3 1395 B5R0.3 OC(CCl)CBr MCULE-3844020597 [0,1,1,0,0,0|0,0,0]=2 1396 B5R0.3 OC(CCl)CCl MCULE-7873018520 [0,1,1,0,0,0|0,0,0]=2 1397 B5R0.3 OC(CCl)CI MCULE-3276637880 [0,1,1,0,0,0|0,0,0]=2 1398 B5R0.3 OC(CF)CBr MCULE-3915880352 [0,1,1,0,0,0|0,1,0]=3 1399 B5R0.3 OC(CF)CCl MCULE-6441743377 [0,1,1,0,0,0|0,0,0]=2 1400 B5R0.3 OC(CF)CF MCULE-3360341794 [0,1,1,0,0,0|0,1,0]=3 1401 B5R0.3 OC(CI)CI MCULE-6842895270 [0,1,1,0,0,0|0,1,0]=3 1402 B5R0.3 OCC(Br)CBr MCULE-9616107956 [0,1,1,0,0,0|1,1,0]=4 1403 B5R0.3 OCC(Br)CO MCULE-9272628834 [0,1,1,0,0,0|2,0,0]=4 1404 B5R0.3 OCC(Cl)CCl MCULE-2120585852 [0,1,1,0,0,0|1,0,0]=3 1405 B5R0.3 OCC(Cl)CO MCULE-7487945326 [0,1,1,0,0,0|2,0,0]=4 1406 B5R0.3 OCC(F)CBr MCULE-2889937576 [0,1,1,0,0,0|1,1,0]=4 1407 B5R0.3 OCC(F)CO MCULE-2970537690 [0,1,1,0,0,0|2,0,0]=4 1408 B5R0.3 OCC(O)CBr MCULE-9116190245 [0,1,1,0,0,0|0,1,0]=3 1409 B5R0.3 OCC(O)CCl MCULE-7895191088 [0,1,1,0,0,0|0,0,0]=2 1410 B5R0.3 OCC(O)CCl MCULE-8992242488 [0,1,1,0,0,0|0,0,0]=2 1411 B5R0.3 OCC(O)CF MCULE-3575952891 [0,1,1,0,0,0|0,1,0]=3 1412 B5R0.3 OCC(O)CF MCULE-8981430411 [0,1,1,0,0,0|0,1,0]=3 1413 B5R0.3 OCC(O)CI MCULE-6705992930 [0,1,1,0,0,0|0,1,0]=3 1414 B5R0.3 OCC(O)CO MCULE-6349111826 [0,1,1,0,0,0|1,0,0]=3 1415 B5R0.3 OCC(O)CS MCULE-6300188207 [0,1,1,0,0,0|1,0,0]=3 1416 B5R0.3 OCC(S)CS MCULE-9735516119 [0,1,1,0,0,0|1,1,0]=4 1417 B5R0.3 OC[C@@H](O)CCl MCULE-1311776512 [0,1,1,0,0,0|0,0,0]=2 1418 B5R0.3 OC[C@@H](O)CCl MCULE-2685107404 [0,1,1,0,0,0|0,0,0]=2 1419 B5R0.3 OC[C@@H](O)CF MCULE-3274443966 [0,1,1,0,0,0|0,1,0]=3 1420 B5R0.3 OC[C@@H](O)CF MCULE-5908395855 [0,1,1,0,0,0|0,1,0]=3 1421 B5R0.3 OC[C@H](O)CBr MCULE-5035020863 [0,1,1,0,0,0|0,1,0]=3 1422 B5R0.3 OC[C@H](O)CCl MCULE-2098232262 [0,1,1,0,0,0|0,0,0]=2 1423 B5R0.3 OC[C@H](O)CCl MCULE-5801605349 [0,1,1,0,0,0|0,0,0]=2 1424 B5R0.3 OC[C@H](O)CF MCULE-3309672397 [0,1,1,0,0,0|0,1,0]=3 1425 B5R0.3 OC[C@H](O)CF MCULE-7695783253 [0,1,1,0,0,0|0,1,0]=3 1426 B5R0.3 O[C@@H](CCl)CI MCULE-5324720097 [0,1,1,0,0,0|0,0,0]=2 1427 B5R0.3 O[C@H](CCl)CI MCULE-2790157830 [0,1,1,0,0,0|0,0,0]=2 1428 B5R0.3 [C@H](O)(CN)CCl MCULE-1220791610 [0,1,1,0,0,0|0,0,0]=2 1429 B5R0.3 [C@H](O)(CN)CCl MCULE-4106901858 [0,1,1,0,0,0|0,0,0]=2 1430 B5R0.4 C#CC(C)(C)O MCULE-7045265182 [0,1,1,0,0,0|1,0,1]=4 1431 B5R0.4 C=CC(C)(C)O MCULE-5809739830 [0,1,1,0,0,0|1,0,1]=4 1432 B5R0.4 CC(C)(Br)CBr MCULE-2393829265 [0,1,1,0,0,0|1,1,0]=4 1433 B5R0.4 CC(C)(Br)CCl MCULE-4498591413 [0,1,1,0,0,0|1,0,0]=3 1434 B5R0.4 CC(C)(Br)CN MCULE-3220115637 [0,1,1,0,0,0|2,0,0]=4 1435 B5R0.4 CC(C)(Br)CN MCULE-3391853433 [0,1,1,0,0,0|2,0,0]=4 1436 B5R0.4 CC(C)(Br)CN MCULE-3819869078 [0,1,1,0,0,0|2,0,0]=4 1437 B5R0.4 CC(C)(Br)CO MCULE-5949221311 [0,1,1,0,0,0|2,0,0]=4 1438 B5R0.4 CC(C)(C)CBr MCULE-7545541733 [0,1,1,0,0,0|1,1,0]=4 1439 B5R0.4 CC(C)(C)CCl MCULE-1595599055 [0,1,1,0,0,0|1,0,0]=3 1440 B5R0.4 CC(C)(C)CI MCULE-6879787789 [0,1,1,0,0,0|1,1,0]=4 1441 B5R0.4 CC(C)(C)CN MCULE-1062894260 [0,1,1,0,0,0|2,0,0]=4 1442 B5R0.4 CC(C)(C)CN MCULE-2736289460 [0,1,1,0,0,0|2,0,0]=4 1443 B5R0.4 CC(C)(C)CN MCULE-5919012916 [0,1,1,0,0,0|2,0,0]=4 1444 B5R0.4 CC(C)(C)CN MCULE-6772338754 [0,1,1,0,0,0|2,0,0]=4 1445 B5R0.4 CC(C)(C)CN MCULE-8882959753 [0,1,1,0,0,0|2,0,0]=4 1446 B5R0.4 CC(C)(C)CO MCULE-4399535684 [0,1,1,0,0,0|2,0,0]=4 1447 B5R0.4 CC(C)(C)CS MCULE-7279455818 [0,1,1,0,0,0|2,0,0]=4 1448 B5R0.4 CC(C)(Cl)CCl MCULE-3251179033 [0,1,1,0,0,0|1,0,0]=3 1449 B5R0.4 CC(C)(F)CBr MCULE-3412419931 [0,1,1,0,0,0|1,1,0]=4 1450 B5R0.4 CC(C)(F)CI MCULE-8224019070 [0,1,1,0,0,0|1,1,0]=4 1451 B5R0.4 CC(C)(F)CN MCULE-3150098249 [0,1,1,0,0,0|2,0,0]=4 1452 B5R0.4 CC(C)(F)CN MCULE-8647719519 [0,1,1,0,0,0|2,0,0]=4 1453 B5R0.4 CC(C)(F)CO MCULE-1700621997 [0,1,1,0,0,0|2,0,0]=4 1454 B5R0.4 CC(C)(N)CCl MCULE-2098848089 [0,1,1,0,0,0|1,0,0]=3 1455 B5R0.4 CC(C)(N)CCl MCULE-2847180011 [0,1,1,0,0,0|1,0,0]=3 1456 B5R0.4 CC(C)(N)CF MCULE-3102233948 [0,1,1,0,0,0|1,1,0]=4 1457 B5R0.4 CC(C)(N)CF MCULE-9737357598 [0,1,1,0,0,0|1,1,0]=4 1458 B5R0.4 CC(C)(N)CN MCULE-4218187677 [0,1,1,0,0,0|2,0,0]=4 1459 B5R0.4 CC(C)(N)CN MCULE-6476068080 [0,1,1,0,0,0|2,0,0]=4 1460 B5R0.4 CC(C)(N)CO MCULE-4072416202 [0,1,1,0,0,0|2,0,0]=4 1461 B5R0.4 CC(C)(N)CO MCULE-4209651459 [0,1,1,0,0,0|2,0,0]=4 1462 B5R0.4 CC(C)(N)CO MCULE-6047079177 [0,1,1,0,0,0|2,0,0]=4 1463 B5R0.4 CC(C)(O)C#N MCULE-7494613383 [0,1,1,0,0,0|1,0,1]=4 1464 B5R0.4 CC(C)(O)C=O MCULE-2581637282 [0,1,1,0,0,0|1,0,1]=4 1465 B5R0.4 CC(C)(O)CBr MCULE-6366129174 [0,1,1,0,0,0|0,1,0]=3 1466 B5R0.4 CC(C)(O)CCl MCULE-3118028441 [0,1,1,0,0,0|0,0,0]=2 1467 B5R0.4 CC(C)(O)CF MCULE-6616447132 [0,1,1,0,0,0|0,1,0]=3 1468 B5R0.4 CC(C)(O)CI MCULE-5132198363 [0,1,1,0,0,0|0,1,0]=3 1469 B5R0.4 CC(C)(O)CN MCULE-5270413077 [0,1,1,0,0,0|1,0,0]=3 1470 B5R0.4 CC(C)(O)CN MCULE-7438555366 [0,1,1,0,0,0|1,0,0]=3 1471 B5R0.4 CC(C)(O)CO MCULE-6797456030 [0,1,1,0,0,0|1,0,0]=3 1472 B5R0.4 CC(C)(O)CS MCULE-2370088388 [0,1,1,0,0,0|1,0,0]=3 1473 B5R0.4 CC(C)(S)CN MCULE-4256015369 [0,1,1,0,0,0|1,1,0]=4 1474 B5R0.4 CC(C)(S)CN MCULE-8836856580 [0,1,1,0,0,0|1,1,0]=4 1475 B5R0.4 CC(C)(S)CO MCULE-6119329508 [0,1,1,0,0,0|1,1,0]=4 1476 B5R0.4 CC(Cl)(Cl)CCl MCULE-8236164177 [0,1,1,0,0,0|1,0,0]=3 1477 B5R0.4 CC(F)(F)CF MCULE-6634311008 [0,1,1,0,0,0|1,1,0]=4 1478 B5R0.4 CC(F)(F)CN MCULE-5449109500 [0,1,1,0,0,0|2,0,0]=4 1479 B5R0.4 CC(F)(F)CN MCULE-9330314243 [0,1,1,0,0,0|2,0,0]=4 1480 B5R0.4 CC(F)(F)CO MCULE-1049181656 [0,1,1,0,0,0|2,0,0]=4 1481 B5R0.4 CCC(C)(C)Br MCULE-8895489875 [0,1,1,0,0,0|2,0,0]=4 1482 B5R0.4 CCC(C)(C)C MCULE-3388707671 [0,1,1,0,0,0|2,0,0]=4 1483 B5R0.4 CCC(C)(C)Cl MCULE-9597829372 [0,1,1,0,0,0|2,0,0]=4 1484 B5R0.4 CCC(C)(C)I MCULE-3678105747 [0,1,1,0,0,0|2,0,0]=4 1485 B5R0.4 CCC(C)(C)N MCULE-5538333672 [0,1,1,0,0,0|2,0,0]=4 1486 B5R0.4 CCC(C)(C)O MCULE-7894262803 [0,1,1,0,0,0|1,0,0]=3 1487 B5R0.4 CCC(C)(Cl)Cl MCULE-7771494508 [0,1,1,0,0,0|2,0,0]=4 1488 B5R0.4 CCC(C)(F)F MCULE-9944788511 [0,1,1,0,0,0|2,0,0]=4 1489 B5R0.4 CP(=O)(C)CCl MCULE-8860798375 [0,1,1,0,0,0|1,0,1]=4 1490 B5R0.4 CS(=O)(=O)CCl MCULE-3138137071 [0,1,1,0,0,0|1,0,1]=4 1491 B5R0.4 C[Si](C)(C)CCl MCULE-5533913994 [0,1,1,0,0,0|1,1,0]=4 1492 B5R0.4 C[Si](C)(Cl)CCl MCULE-3370239990 [0,1,1,0,0,0|1,1,0]=4 1493 B5R0.4 C[Si](Cl)(Cl)CCl MCULE-1432330493 [0,1,1,0,0,0|1,1,0]=4 1494 B5R0.4 ClCC(Cl)(Cl)Cl MCULE-4379418128 [0,1,1,0,0,0|2,0,0]=4 1495 B5R0.4 FC(Cl)(Cl)CCl MCULE-4902348458 [0,1,1,0,0,0|2,0,0]=4 1496 B5R0.4 FC(F)(Cl)CCl MCULE-6589768011 [0,1,1,0,0,0|2,0,0]=4 1497 B5R0.4 O=P(O)(O)CCl MCULE-3749129481 [0,1,1,0,0,0|2,0,0]=4 1498 B5R0.4 O=S(=O)(O)CCl MCULE-4274838804 [0,1,1,0,0,0|2,0,0]=4 1499 B5R0.5 C=C(C)C(C)Cl MCULE-5294924458 [0,1,1,0,0,0|1,0,1]=4 1500 B5R0.5 C=C(C)C(C)O MCULE-3768810742 [0,1,1,0,0,0|1,0,1]=4 1501 B5R0.5 C=C(C)C(Cl)Cl MCULE-4460311331 [0,1,1,0,0,0|1,0,1]=4 1502 B5R0.5 C=C(C)C(Cl)Cl MCULE-5923487420 [0,1,1,0,0,0|1,0,1]=4 1503 B5R0.5 CC(=O)C(C)Cl MCULE-5065840606 [0,1,1,0,0,0|0,0,2]=4 1504 B5R0.5 CC(=O)C(C)O MCULE-5374414264 [0,1,1,0,0,0|1,0,1]=4 1505 B5R0.5 CC(=O)C(Cl)Cl MCULE-9043899746 [0,1,1,0,0,0|0,0,2]=4 1506 B5R0.5 CC(Br)C(=O)Cl MCULE-7431871683 [0,1,1,0,0,0|1,0,1]=4 1507 B5R0.5 CC(Br)C(C)Br MCULE-8272754345 [0,1,1,0,0,0|1,1,0]=4 1508 B5R0.5 CC(Br)C(Cl)Br MCULE-8471336753 [0,1,1,0,0,0|1,0,0]=3 1509 B5R0.5 CC(Br)C(Cl)Cl MCULE-1643063989 [0,1,1,0,0,0|1,0,0]=3 1510 B5R0.5 CC(C)C(=O)Cl MCULE-6582236331 [0,1,1,0,0,0|1,0,1]=4 1511 B5R0.5 CC(C)C(C)Br MCULE-8934980523 [0,1,1,0,0,0|1,1,0]=4 1512 B5R0.5 CC(C)C(C)C MCULE-7887644548 [0,1,1,0,0,0|2,0,0]=4 1513 B5R0.5 CC(C)C(C)I MCULE-7528764320 [0,1,1,0,0,0|1,1,0]=4 1514 B5R0.5 CC(C)C(C)N MCULE-1630754475 [0,1,1,0,0,0|2,0,0]=4 1515 B5R0.5 CC(C)C(C)N MCULE-1801901816 [0,1,1,0,0,0|2,0,0]=4 1516 B5R0.5 CC(C)C(C)N MCULE-3544463874 [0,1,1,0,0,0|2,0,0]=4 1517 B5R0.5 CC(C)C(C)N MCULE-4774844065 [0,1,1,0,0,0|2,0,0]=4 1518 B5R0.5 CC(C)C(C)O MCULE-4829392845 [0,1,1,0,0,0|1,0,0]=3 1519 B5R0.5 CC(C)C(C)S MCULE-7489203323 [0,1,1,0,0,0|1,1,0]=4 1520 B5R0.5 CC(C)C(I)I MCULE-6684789578 [0,1,1,0,0,0|1,1,0]=4 1521 B5R0.5 CC(C)[C@@H](C)N MCULE-1953734886 [0,1,1,0,0,0|2,0,0]=4 1522 B5R0.5 CC(C)[C@@H](C)N MCULE-3105334197 [0,1,1,0,0,0|2,0,0]=4 1523 B5R0.5 CC(C)[C@@H](C)N MCULE-9470429569 [0,1,1,0,0,0|2,0,0]=4 1524 B5R0.5 CC(C)[C@@H](C)O MCULE-3565458505 [0,1,1,0,0,0|1,0,0]=3 1525 B5R0.5 CC(C)[C@H](C)N MCULE-2859174363 [0,1,1,0,0,0|2,0,0]=4 1526 B5R0.5 CC(C)[C@H](C)N MCULE-3034457659 [0,1,1,0,0,0|2,0,0]=4 1527 B5R0.5 CC(C)[C@H](C)N MCULE-5904658917 [0,1,1,0,0,0|2,0,0]=4 1528 B5R0.5 CC(C)[C@H](C)O MCULE-1553214756 [0,1,1,0,0,0|1,0,0]=3 1529 B5R0.5 CC(C)[C@H](C)O MCULE-8141633445 [0,1,1,0,0,0|1,0,0]=3 1530 B5R0.5 CC(Cl)C(=O)Cl MCULE-6547241717 [0,1,1,0,0,0|1,0,1]=4 1531 B5R0.5 CC(Cl)C(=O)O MCULE-3597230803 [0,1,1,0,0,0|1,0,1]=4 1532 B5R0.5 CC(Cl)C(=O)O MCULE-5449120618 [0,1,1,0,0,0|1,0,1]=4 1533 B5R0.5 CC(Cl)C(C)Cl MCULE-6954506926 [0,1,1,0,0,0|1,0,0]=3 1534 B5R0.5 CC(Cl)C(Cl)Cl MCULE-1848161215 [0,1,1,0,0,0|1,0,0]=3 1535 B5R0.5 CC(N)C(C)N MCULE-6724099648 [0,1,1,0,0,0|2,0,0]=4 1536 B5R0.5 CC(N)C(C)O MCULE-3512899672 [0,1,1,0,0,0|1,0,0]=3 1537 B5R0.5 CC(N)C(C)O MCULE-6286987696 [0,1,1,0,0,0|1,0,0]=3 1538 B5R0.5 CC(N)C(F)F MCULE-5449346446 [0,1,1,0,0,0|1,1,0]=4 1539 B5R0.5 CC(O)C(=N)N MCULE-4358846536 [0,1,1,0,0,0|1,0,1]=4 1540 B5R0.5 CC(O)C(=N)N MCULE-5644516205 [0,1,1,0,0,0|1,0,1]=4 1541 B5R0.5 CC(O)C(=O)N MCULE-6247123668 [0,1,1,0,0,0|1,0,1]=4 1542 B5R0.5 CC(O)C(=O)N MCULE-7823792358 [0,1,1,0,0,0|1,0,1]=4 1543 B5R0.5 CC(O)C(=O)O MCULE-3922256529 [0,1,1,0,0,0|1,0,1]=4 1544 B5R0.5 CC(O)C(=O)O MCULE-5387110670 [0,1,1,0,0,0|1,0,1]=4 1545 B5R0.5 CC(O)C(=O)[O-] MCULE-1056716990 [0,1,1,0,0,0|1,0,1]=4 1546 B5R0.5 CC(O)C(=O)[O-] MCULE-8184872865 [0,1,1,0,0,0|1,0,1]=4 1547 B5R0.5 CC(O)C(=O)[O-] MCULE-8730993694 [0,1,1,0,0,0|1,0,1]=4 1548 B5R0.5 CC(O)C(C)Br MCULE-1140424623 [0,1,1,0,0,0|0,1,0]=3 1549 B5R0.5 CC(O)C(C)Cl MCULE-3352632568 [0,1,1,0,0,0|0,0,0]=2 1550 B5R0.5 CC(O)C(C)O MCULE-2858785316 [0,1,1,0,0,0|1,0,0]=3 1551 B5R0.5 CC(O)C(C)S MCULE-3741743569 [0,1,1,0,0,0|1,0,0]=3 1552 B5R0.5 CC(O)C(F)F MCULE-1258374037 [0,1,1,0,0,0|0,1,0]=3 1553 B5R0.5 CC(S)C(C)S MCULE-3508721208 [0,1,1,0,0,0|1,1,0]=4 1554 B5R0.5 C[C@@H](Cl)C(=O)Cl MCULE-3579498695 [0,1,1,0,0,0|1,0,1]=4 1555 B5R0.5 C[C@@H](Cl)C(=O)O MCULE-6578788045 [0,1,1,0,0,0|1,0,1]=4 1556 B5R0.5 C[C@@H](Cl)C(=O)O MCULE-8314108697 [0,1,1,0,0,0|1,0,1]=4 1557 B5R0.5 C[C@@H](N)C(F)F MCULE-3679161461 [0,1,1,0,0,0|1,1,0]=4 1558 B5R0.5 C[C@@H](N)C(F)F MCULE-5068481064 [0,1,1,0,0,0|1,1,0]=4 1559 B5R0.5 C[C@@H](N)[C@@H](C)N MCULE-5194916344 [0,1,1,0,0,0|2,0,0]=4 1560 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-4537991630 [0,1,1,0,0,0|1,0,0]=3 1561 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-5710552020 [0,1,1,0,0,0|1,0,0]=3 1562 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-5951487868 [0,1,1,0,0,0|1,0,0]=3 1563 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-8093543292 [0,1,1,0,0,0|1,0,0]=3 1564 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-8196664475 [0,1,1,0,0,0|1,0,0]=3 1565 B5R0.5 C[C@@H](O)C(=N)N MCULE-1498978023 [0,1,1,0,0,0|1,0,1]=4 1566 B5R0.5 C[C@@H](O)C(=N)N MCULE-6124491136 [0,1,1,0,0,0|1,0,1]=4 1567 B5R0.5 C[C@@H](O)C(=N)N MCULE-7410387081 [0,1,1,0,0,0|1,0,1]=4 1568 B5R0.5 C[C@@H](O)C(=N)N MCULE-9566288141 [0,1,1,0,0,0|1,0,1]=4 1569 B5R0.5 C[C@@H](O)C(=O)N MCULE-2026557726 [0,1,1,0,0,0|1,0,1]=4 1570 B5R0.5 C[C@@H](O)C(=O)N MCULE-8056291801 [0,1,1,0,0,0|1,0,1]=4 1571 B5R0.5 C[C@@H](O)C(=O)O MCULE-4625208788 [0,1,1,0,0,0|1,0,1]=4 1572 B5R0.5 C[C@@H](O)C(=O)O MCULE-9141235095 [0,1,1,0,0,0|1,0,1]=4 1573 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-5673591667 [0,1,1,0,0,0|1,0,1]=4 1574 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-8146434340 [0,1,1,0,0,0|1,0,1]=4 1575 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-9026662277 [0,1,1,0,0,0|1,0,1]=4 1576 B5R0.5 C[C@@H](O)[C@@H](C)O MCULE-2843927827 [0,1,1,0,0,0|1,0,0]=3 1577 B5R0.5 C[C@@H](O)[C@@H](C)O MCULE-3739961672 [0,1,1,0,0,0|1,0,0]=3 1578 B5R0.5 C[C@@H](O)[C@@H](C)O MCULE-5488313047 [0,1,1,0,0,0|1,0,0]=3 1579 B5R0.5 C[C@H](Br)C(=O)Cl MCULE-2960953088 [0,1,1,0,0,0|1,0,1]=4 1580 B5R0.5 C[C@H](Br)[C@@H](C)Br MCULE-7263507123 [0,1,1,0,0,0|1,1,0]=4 1581 B5R0.5 C[C@H](Cl)C(=O)O MCULE-4816831649 [0,1,1,0,0,0|1,0,1]=4 1582 B5R0.5 C[C@H](Cl)C(=O)O MCULE-8389122613 [0,1,1,0,0,0|1,0,1]=4 1583 B5R0.5 C[C@H](N)[C@@H](C)O MCULE-6389040758 [0,1,1,0,0,0|1,0,0]=3 1584 B5R0.5 C[C@H](N)[C@@H](C)O MCULE-7956913866 [0,1,1,0,0,0|1,0,0]=3 1585 B5R0.5 C[C@H](N)[C@H](C)N MCULE-1560418234 [0,1,1,0,0,0|2,0,0]=4 1586 B5R0.5 C[C@H](N)[C@H](C)O MCULE-1340338147 [0,1,1,0,0,0|1,0,0]=3 1587 B5R0.5 C[C@H](N)[C@H](C)O MCULE-1738016964 [0,1,1,0,0,0|1,0,0]=3 1588 B5R0.5 C[C@H](N)[C@H](C)O MCULE-2254798251 [0,1,1,0,0,0|1,0,0]=3 1589 B5R0.5 C[C@H](N)[C@H](C)O MCULE-7688101680 [0,1,1,0,0,0|1,0,0]=3 1590 B5R0.5 C[C@H](O)C(=O)N MCULE-8400190365 [0,1,1,0,0,0|1,0,1]=4 1591 B5R0.5 C[C@H](O)C(=O)O MCULE-5695391344 [0,1,1,0,0,0|1,0,1]=4 1592 B5R0.5 C[C@H](O)C(=O)O MCULE-8864689875 [0,1,1,0,0,0|1,0,1]=4 1593 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-1034285072 [0,1,1,0,0,0|1,0,1]=4 1594 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-3598405830 [0,1,1,0,0,0|1,0,1]=4 1595 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-7525689298 [0,1,1,0,0,0|1,0,1]=4 1596 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-8057429776 [0,1,1,0,0,0|1,0,1]=4 1597 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-8729310894 [0,1,1,0,0,0|1,0,1]=4 1598 B5R0.5 C[C@H](O)[C@@H](C)N MCULE-3776841970 [0,1,1,0,0,0|1,0,0]=3 1599 B5R0.5 C[C@H](O)[C@@H](C)N MCULE-4906999918 [0,1,1,0,0,0|1,0,0]=3 1600 B5R0.5 C[C@H](O)[C@@H](C)N MCULE-5860404631 [0,1,1,0,0,0|1,0,0]=3 1601 B5R0.5 C[C@H](O)[C@@H](C)N MCULE-5888789996 [0,1,1,0,0,0|1,0,0]=3 1602 B5R0.5 C[C@H](O)[C@@H](C)O MCULE-8389904530 [0,1,1,0,0,0|1,0,0]=3 1603 B5R0.5 C[C@H](O)[C@H](C)O MCULE-8448870055 [0,1,1,0,0,0|1,0,0]=3 1604 B5R0.5 C[C@H](O)[C@H](C)O MCULE-9615630900 [0,1,1,0,0,0|1,0,0]=3 1605 B5R0.5 C[C@H](S)[C@@H](C)O MCULE-3347141817 [0,1,1,0,0,0|1,0,0]=3 1606 B5R0.5 ClC(Cl)C(Cl)Cl MCULE-4029260741 [0,1,1,0,0,0|2,0,0]=4 1607 B5R0.5 FC(Cl)C(Cl)Cl MCULE-8036739850 [0,1,1,0,0,0|2,0,0]=4 1608 B5R0.5 FC(Cl)C(F)Cl MCULE-8576959735 [0,1,1,0,0,0|2,0,0]=4 1609 B5R0.5 FC(F)C(Cl)Cl MCULE-3568657525 [0,1,1,0,0,0|2,0,0]=4 1610 B5R0.5 O=C(O)C(Cl)Br MCULE-4569127340 [0,1,1,0,0,0|1,0,1]=4 1611 B5R0.5 O=C(O)C(Cl)Cl MCULE-1246638159 [0,1,1,0,0,0|1,0,1]=4 1612 B5R0.5 O=C(O)C(F)Cl MCULE-8791727704 [0,1,1,0,0,0|1,0,1]=4 1613 B5R0.5 O=C(O)[C@@H](F)Cl MCULE-9934674808 [0,1,1,0,0,0|1,0,1]=4 1614 B5R0.5 O=C(O)[C@H](F)Cl MCULE-8184552815 [0,1,1,0,0,0|1,0,1]=4 1615 B5R0.5 OC(O)C(Cl)Cl MCULE-3363992346 [0,1,1,0,0,0|1,0,0]=3 1616 B5R0.5 [C@@H](C)(O)C(=O)N MCULE-6953360641 [0,1,1,0,0,0|1,0,1]=4 1617 B5R0.5 [NH3+]C(C)C(C)[NH3+] MCULE-4215582247 [0,1,1,0,0,0|2,0,0]=4 1618 B5R0.2 BrCCCCBr MCULE-5088378536 [0,1,1,0,0,0|1,1,0]=4 1619 B5R0.2 C#CCCCBr MCULE-3834416844 [0,1,1,0,0,0|1,1,0]=4 1620 B5R0.2 C#CCCCC MCULE-5706969297 [0,1,1,0,0,0|2,0,0]=4 1621 B5R0.2 C#CCCCCl MCULE-3879115419 [0,1,1,0,0,0|1,0,0]=3 1622 B5R0.2 C#CCCCI MCULE-4063232871 [0,1,1,0,0,0|1,1,0]=4 1623 B5R0.2 C#CCCCN MCULE-3191305523 [0,1,1,0,0,0|2,0,0]=4 1624 B5R0.2 C#CCCCN MCULE-3259677872 [0,1,1,0,0,0|2,0,0]=4 1625 B5R0.2 C#CCCCO MCULE-6360852809 [0,1,1,0,0,0|1,0,0]=3 1626 B5R0.2 C#CCCNC MCULE-1590490287 [0,1,1,0,0,0|2,0,0]=4 1627 B5R0.2 C#CCCNC MCULE-4004733974 [0,1,1,0,0,0|2,0,0]=4 1628 B5R0.2 C#CCCNC MCULE-7566671614 [0,1,1,0,0,0|2,0,0]=4 1629 B5R0.2 C#CCCOC MCULE-7152168835 [0,1,1,0,0,0|1,0,0]=3 1630 B5R0.2 C#CCNOC MCULE-3336529831 [0,1,1,0,0,0|1,0,1]=4 1631 B5R0.2 C#CCNOC MCULE-7807129420 [0,1,1,0,0,0|1,0,1]=4 1632 B5R0.2 C#CCOCC MCULE-1055202735 [0,1,1,0,0,0|1,0,1]=4 1633 B5R0.2 C#CCOCCl MCULE-6198656758 [0,1,1,0,0,0|1,0,1]=4 1634 B5R0.2 C(=CCCl)CN MCULE-8092426171 [0,1,1,0,0,0|1,0,1]=4 1635 B5R0.2 C(=CCCl)CN MCULE-9706120646 [0,1,1,0,0,0|1,0,1]=4 1636 B5R0.2 C(=C\CCl)\CN MCULE-3474871402 [0,1,1,0,0,0|1,0,1]=4 1637 B5R0.2 C/C=C/CCC MCULE-9851656818 [0,1,1,0,0,0|2,0,0]=4 1638 B5R0.2 C/C=C/CCO MCULE-3952855392 [0,1,1,0,0,0|1,0,1]=4 1639 B5R0.2 C/C=C\CCC MCULE-1013657748 [0,1,1,0,0,0|2,0,0]=4 1640 B5R0.2 C=C=CCCO MCULE-1054355649 [0,1,1,0,0,0|1,0,1]=4 1641 B5R0.2 C=CCCCBr MCULE-5027518679 [0,1,1,0,0,0|1,1,0]=4 1642 B5R0.2 C=CCCCC MCULE-4750698031 [0,1,1,0,0,0|2,0,0]=4 1643 B5R0.2 C=CCCCCl MCULE-3877430809 [0,1,1,0,0,0|1,0,0]=3 1644 B5R0.2 C=CCCCI MCULE-8692831514 [0,1,1,0,0,0|1,1,0]=4 1645 B5R0.2 C=CCCCN MCULE-5787926547 [0,1,1,0,0,0|2,0,0]=4 1646 B5R0.2 C=CCCCN MCULE-7346989227 [0,1,1,0,0,0|2,0,0]=4 1647 B5R0.2 C=CCCCO MCULE-5946342321 [0,1,1,0,0,0|1,0,0]=3 1648 B5R0.2 C=CCCNC MCULE-2124263362 [0,1,1,0,0,0|2,0,0]=4 1649 B5R0.2 C=CCCNC MCULE-5024925990 [0,1,1,0,0,0|2,0,0]=4 1650 B5R0.2 C=CCCOC MCULE-4681354270 [0,1,1,0,0,0|1,0,0]=3 1651 B5R0.2 C=CCCON MCULE-3476228435 [0,1,1,0,0,0|1,0,1]=4 1652 B5R0.2 C=CCCON MCULE-9206052895 [0,1,1,0,0,0|1,0,1]=4 1653 B5R0.2 C=CCOCC MCULE-4363356618 [0,1,1,0,0,0|1,0,1]=4 1654 B5R0.2 C=CCOCCl MCULE-6656252526 [0,1,1,0,0,0|1,0,1]=4 1655 B5R0.2 C=CCONC MCULE-4537899476 [0,1,1,0,0,0|1,0,1]=4 1656 B5R0.2 C=CCONC MCULE-9645204142 [0,1,1,0,0,0|1,0,1]=4 1657 B5R0.2 C=COCCC MCULE-4423853666 [0,1,1,0,0,0|1,0,1]=4 1658 B5R0.2 C=COCCCl MCULE-7782311030 [0,1,1,0,0,0|0,0,1]=3 1659 B5R0.2 C=COCCN MCULE-8052872924 [0,1,1,0,0,0|1,0,1]=4 1660 B5R0.2 C=COCCN MCULE-8496820259 [0,1,1,0,0,0|1,0,1]=4 1661 B5R0.2 C=COCCO MCULE-9383372818 [0,1,1,0,0,0|1,0,1]=4 1662 B5R0.2 CC#CCCBr MCULE-5650557113 [0,1,1,0,0,0|1,1,0]=4 1663 B5R0.2 CC#CCCC MCULE-8179328151 [0,1,1,0,0,0|2,0,0]=4 1664 B5R0.2 CC#CCCN MCULE-2130545109 [0,1,1,0,0,0|2,0,0]=4 1665 B5R0.2 CC#CCCN MCULE-7156357315 [0,1,1,0,0,0|2,0,0]=4 1666 B5R0.2 CC#CCCO MCULE-9400138491 [0,1,1,0,0,0|1,0,1]=4 1667 B5R0.2 CC/C=C\CO MCULE-5480473249 [0,1,1,0,0,0|1,0,1]=4 1668 B5R0.2 CC=CCCBr MCULE-7329159278 [0,1,1,0,0,0|1,1,0]=4 1669 B5R0.2 CC=CCCC MCULE-8736231124 [0,1,1,0,0,0|2,0,0]=4 1670 B5R0.2 CC=CCCN MCULE-5129102475 [0,1,1,0,0,0|2,0,0]=4 1671 B5R0.2 CC=CCCN MCULE-8500001929 [0,1,1,0,0,0|2,0,0]=4 1672 B5R0.2 CC=CCCO MCULE-4302367089 [0,1,1,0,0,0|1,0,1]=4 1673 B5R0.2 CCC#CCCl MCULE-7122423261 [0,1,1,0,0,0|1,0,1]=4 1674 B5R0.2 CCC#CCO MCULE-8633965917 [0,1,1,0,0,0|1,0,1]=4 1675 B5R0.2 CCC=CCO MCULE-5633399984 [0,1,1,0,0,0|1,0,1]=4 1676 B5R0.2 CCCC=NO MCULE-7364375780 [0,1,1,0,0,0|1,0,1]=4 1677 B5R0.2 CCCCC#N MCULE-4015236167 [0,1,1,0,0,0|2,0,0]=4 1678 B5R0.2 CCCCC=O MCULE-4736782822 [0,1,1,0,0,0|1,0,1]=4 1679 B5R0.2 CCCCCBr MCULE-8513521912 [0,1,1,0,0,0|1,1,0]=4 1680 B5R0.2 CCCCCC MCULE-3465692202 [0,1,1,0,0,0|2,0,0]=4 1681 B5R0.2 CCCCCCl MCULE-4412759460 [0,1,1,0,0,0|1,0,0]=3 1682 B5R0.2 CCCCCF MCULE-6399883281 [0,1,1,0,0,0|1,1,0]=4 1683 B5R0.2 CCCCCI MCULE-4590300793 [0,1,1,0,0,0|1,1,0]=4 1684 B5R0.2 CCCCCN MCULE-3371742982 [0,1,1,0,0,0|2,0,0]=4 1685 B5R0.2 CCCCCN MCULE-4371067300 [0,1,1,0,0,0|2,0,0]=4 1686 B5R0.2 CCCCCN MCULE-6547961798 [0,1,1,0,0,0|2,0,0]=4 1687 B5R0.2 CCCCCN MCULE-7483248760 [0,1,1,0,0,0|2,0,0]=4 1688 B5R0.2 CCCCCO MCULE-8714292632 [0,1,1,0,0,0|1,0,0]=3 1689 B5R0.2 CCCCCS MCULE-5476379340 [0,1,1,0,0,0|1,1,0]=4 1690 B5R0.2 CCCCNC MCULE-9321610906 [0,1,1,0,0,0|2,0,0]=4 1691 B5R0.2 CCCCNN MCULE-6681305566 [0,1,1,0,0,0|2,0,0]=4 1692 B5R0.2 CCCCNN MCULE-6890760890 [0,1,1,0,0,0|2,0,0]=4 1693 B5R0.2 CCCCNN MCULE-7362497327 [0,1,1,0,0,0|2,0,0]=4 1694 B5R0.2 CCCCNN MCULE-8463623644 [0,1,1,0,0,0|2,0,0]=4 1695 B5R0.2 CCCCNO MCULE-1911206569 [0,1,1,0,0,0|1,0,0]=3 1696 B5R0.2 CCCCNO MCULE-3820646216 [0,1,1,0,0,0|1,0,0]=3 1697 B5R0.2 CCCCOC MCULE-9814272675 [0,1,1,0,0,0|1,0,0]=3 1698 B5R0.2 CCCCON MCULE-7582349983 [0,1,1,0,0,0|1,0,0]=3 1699 B5R0.2 CCCCON MCULE-8175627798 [0,1,1,0,0,0|1,0,0]=3 1700 B5R0.2 CCCCSC MCULE-2799775567 [0,1,1,0,0,0|1,1,0]=4 1701 B5R0.2 CCCNCC MCULE-7948828264 [0,1,1,0,0,0|2,0,0]=4 1702 B5R0.2 CCCNCC MCULE-9107549207 [0,1,1,0,0,0|2,0,0]=4 1703 B5R0.2 CCCOC=O MCULE-3133604529 [0,1,1,0,0,0|1,0,1]=4 1704 B5R0.2 CCCOCBr MCULE-3585683043 [0,1,1,0,0,0|1,0,0]=3 1705 B5R0.2 CCCOCC MCULE-9971916790 [0,1,1,0,0,0|1,0,0]=3 1706 B5R0.2 CCCOCCl MCULE-1932627202 [0,1,1,0,0,0|1,0,0]=3 1707 B5R0.2 CCCSCC MCULE-4547385568 [0,1,1,0,0,0|1,1,0]=4 1708 B5R0.2 CCCSSC MCULE-3127072032 [0,1,1,0,0,0|1,1,0]=4 1709 B5R0.2 CCNCCCl MCULE-2589770119 [0,1,1,0,0,0|1,0,0]=3 1710 B5R0.2 CCNCCCl MCULE-3098032672 [0,1,1,0,0,0|1,0,0]=3 1711 B5R0.2 CCNCCN MCULE-7854769899 [0,1,1,0,0,0|2,0,0]=4 1712 B5R0.2 CCNCCO MCULE-2537734730 [0,1,1,0,0,0|1,0,0]=3 1713 B5R0.2 CCNCCO MCULE-3738714907 [0,1,1,0,0,0|1,0,0]=3 1714 B5R0.2 CCOCC#N MCULE-6709940440 [0,1,1,0,0,0|1,0,1]=4 1715 B5R0.2 CCOCCBr MCULE-4818900555 [0,1,1,0,0,0|0,1,0]=3 1716 B5R0.2 CCOCCCl MCULE-1290576729 [0,1,1,0,0,0|0,0,0]=2 1717 B5R0.2 CCOCCI MCULE-1833092968 [0,1,1,0,0,0|0,1,0]=3 1718 B5R0.2 CCOCCN MCULE-1254431240 [0,1,1,0,0,0|1,0,0]=3 1719 B5R0.2 CCOCCN MCULE-4039110889 [0,1,1,0,0,0|1,0,0]=3 1720 B5R0.2 CCOCCN MCULE-4400456933 [0,1,1,0,0,0|1,0,0]=3 1721 B5R0.2 CCOCCO MCULE-4311513289 [0,1,1,0,0,0|1,0,0]=3 1722 B5R0.2 CCOCCS MCULE-3968740645 [0,1,1,0,0,0|1,0,0]=3 1723 B5R0.2 CCSCCBr MCULE-9449933342 [0,1,1,0,0,0|0,2,0]=4 1724 B5R0.2 CCSCCCl MCULE-4057847237 [0,1,1,0,0,0|0,1,0]=3 1725 B5R0.2 CCSCCN MCULE-3375644872 [0,1,1,0,0,0|1,1,0]=4 1726 B5R0.2 CCSCCN MCULE-4466279976 [0,1,1,0,0,0|1,1,0]=4 1727 B5R0.2 CCSCCO MCULE-3557086162 [0,1,1,0,0,0|1,0,0]=3 1728 B5R0.2 CCSCCS MCULE-4583054157 [0,1,1,0,0,0|1,1,0]=4 1729 B5R0.2 CNCCC#N MCULE-6686234290 [0,1,1,0,0,0|2,0,0]=4 1730 B5R0.2 CNCCCBr MCULE-3376600253 [0,1,1,0,0,0|1,1,0]=4 1731 B5R0.2 CNCCCBr MCULE-6212326106 [0,1,1,0,0,0|1,1,0]=4 1732 B5R0.2 CNCCCCl MCULE-1007719210 [0,1,1,0,0,0|1,0,0]=3 1733 B5R0.2 CNCCCCl MCULE-6146901643 [0,1,1,0,0,0|1,0,0]=3 1734 B5R0.2 CNCCCF MCULE-7647417887 [0,1,1,0,0,0|1,1,0]=4 1735 B5R0.2 CNCCCN MCULE-1736081896 [0,1,1,0,0,0|2,0,0]=4 1736 B5R0.2 CNCCCO MCULE-9530478547 [0,1,1,0,0,0|1,0,0]=3 1737 B5R0.2 CNCCNC MCULE-1378979868 [0,1,1,0,0,0|2,0,0]=4 1738 B5R0.2 CNCCNC MCULE-3281508478 [0,1,1,0,0,0|2,0,0]=4 1739 B5R0.2 CNCCOC MCULE-2857904484 [0,1,1,0,0,0|1,0,0]=3 1740 B5R0.2 CNCCOC MCULE-5342712496 [0,1,1,0,0,0|1,0,0]=3 1741 B5R0.2 CNCCSC MCULE-2812984399 [0,1,1,0,0,0|1,1,0]=4 1742 B5R0.2 CNCCSC MCULE-2942435951 [0,1,1,0,0,0|1,1,0]=4 1743 B5R0.2 CNOCCN MCULE-3163962093 [0,1,1,0,0,0|1,0,0]=3 1744 B5R0.2 CNOCCN MCULE-7379538500 [0,1,1,0,0,0|1,0,0]=3 1745 B5R0.2 COCCC#N MCULE-3009737584 [0,1,1,0,0,0|1,0,0]=3 1746 B5R0.2 COCCC=O MCULE-2812117208 [0,1,1,0,0,0|1,0,0]=3 1747 B5R0.2 COCCCBr MCULE-6489536401 [0,1,1,0,0,0|0,1,0]=3 1748 B5R0.2 COCCCCl MCULE-9192274624 [0,1,1,0,0,0|0,0,0]=2 1749 B5R0.2 COCCCF MCULE-5055725246 [0,1,1,0,0,0|0,1,0]=3 1750 B5R0.2 COCCCI MCULE-9111605439 [0,1,1,0,0,0|0,1,0]=3 1751 B5R0.2 COCCCN MCULE-1421362990 [0,1,1,0,0,0|1,0,0]=3 1752 B5R0.2 COCCCN MCULE-4783132205 [0,1,1,0,0,0|1,0,0]=3 1753 B5R0.2 COCCCO MCULE-4041418048 [0,1,1,0,0,0|1,0,0]=3 1754 B5R0.2 COCCCS MCULE-2371333731 [0,1,1,0,0,0|1,0,0]=3 1755 B5R0.2 COCCNN MCULE-2086510453 [0,1,1,0,0,0|1,0,0]=3 1756 B5R0.2 COCCNN MCULE-4830987822 [0,1,1,0,0,0|1,0,0]=3 1757 B5R0.2 COCCNN MCULE-8361975855 [0,1,1,0,0,0|1,0,0]=3 1758 B5R0.2 COCCOC MCULE-7572196731 [0,1,1,0,0,0|1,0,0]=3 1759 B5R0.2 COCCON MCULE-3507489398 [0,1,1,0,0,0|1,0,0]=3 1760 B5R0.2 COCCON MCULE-8506879697 [0,1,1,0,0,0|1,0,0]=3 1761 B5R0.2 COCCSC MCULE-5362054021 [0,1,1,0,0,0|1,0,0]=3 1762 B5R0.2 COCN=C=O MCULE-6951734265 [0,1,1,0,0,0|1,0,1]=4 1763 B5R0.2 COCN=C=S MCULE-8646619442 [0,1,1,0,0,0|1,0,1]=4 1764 B5R0.2 CONCCN MCULE-3332727097 [0,1,1,0,0,0|1,0,0]=3 1765 B5R0.2 CONCCN MCULE-5066538639 [0,1,1,0,0,0|1,0,0]=3 1766 B5R0.2 CONCCO MCULE-9787830121 [0,1,1,0,0,0|1,0,0]=3 1767 B5R0.2 CSCCC#N MCULE-5755086116 [0,1,1,0,0,0|1,1,0]=4 1768 B5R0.2 CSCCC=O MCULE-6273241704 [0,1,1,0,0,0|1,1,0]=4 1769 B5R0.2 CSCCCBr MCULE-8399851816 [0,1,1,0,0,0|0,2,0]=4 1770 B5R0.2 CSCCCCl MCULE-1829120476 [0,1,1,0,0,0|0,1,0]=3 1771 B5R0.2 CSCCCN MCULE-1030938424 [0,1,1,0,0,0|1,1,0]=4 1772 B5R0.2 CSCCCN MCULE-4664984921 [0,1,1,0,0,0|1,1,0]=4 1773 B5R0.2 CSCCCO MCULE-9232413185 [0,1,1,0,0,0|1,0,0]=3 1774 B5R0.2 CSCCCS MCULE-8405766359 [0,1,1,0,0,0|1,1,0]=4 1775 B5R0.2 CSCCON MCULE-9125601960 [0,1,1,0,0,0|1,1,0]=4 1776 B5R0.2 CSSCCN MCULE-7065189564 [0,1,1,0,0,0|1,1,0]=4 1777 B5R0.2 CSSCCN MCULE-8654200268 [0,1,1,0,0,0|1,1,0]=4 1778 B5R0.2 ClC/C=C/CCl MCULE-3586653669 [0,1,1,0,0,0|1,0,1]=4 1779 B5R0.2 ClC/C=C\CCl MCULE-9193094097 [0,1,1,0,0,0|1,0,1]=4 1780 B5R0.2 ClCC#CCCl MCULE-6432554678 [0,1,1,0,0,0|1,0,1]=4 1781 B5R0.2 ClCC=CCCl MCULE-9190878082 [0,1,1,0,0,0|1,0,1]=4 1782 B5R0.2 ClCCCCBr MCULE-7973194927 [0,1,1,0,0,0|1,0,0]=3 1783 B5R0.2 ClCCCCCl MCULE-4863501782 [0,1,1,0,0,0|1,0,0]=3 1784 B5R0.2 ClCCCCI MCULE-4303507089 [0,1,1,0,0,0|1,0,0]=3 1785 B5R0.2 ClCCOCCl MCULE-7585684590 [0,1,1,0,0,0|0,0,0]=2 1786 B5R0.2 ClCOCCBr MCULE-6843473950 [0,1,1,0,0,0|0,1,0]=3 1787 B5R0.2 FCCCCBr MCULE-8408956872 [0,1,1,0,0,0|1,1,0]=4 1788 B5R0.2 FCCCCF MCULE-1347438150 [0,1,1,0,0,0|1,1,0]=4 1789 B5R0.2 ICCCCI MCULE-1390457250 [0,1,1,0,0,0|1,1,0]=4 1790 B5R0.2 N#CCCCBr MCULE-2664469446 [0,1,1,0,0,0|1,1,0]=4 1791 B5R0.2 N#CCCCCl MCULE-3310172135 [0,1,1,0,0,0|1,0,0]=3 1792 B5R0.2 N#CCCCF MCULE-3514322336 [0,1,1,0,0,0|1,1,0]=4 1793 B5R0.2 N#CCCCI MCULE-7661529037 [0,1,1,0,0,0|1,1,0]=4 1794 B5R0.2 N#CCCCN MCULE-7159177087 [0,1,1,0,0,0|2,0,0]=4 1795 B5R0.2 N#CCCCN MCULE-8406710235 [0,1,1,0,0,0|2,0,0]=4 1796 B5R0.2 N#CCCCO MCULE-2108386837 [0,1,1,0,0,0|1,0,0]=3 1797 B5R0.2 N#CCCON MCULE-4242787851 [0,1,1,0,0,0|1,0,1]=4 1798 B5R0.2 N#CCCON MCULE-9943219810 [0,1,1,0,0,0|1,0,1]=4 1799 B5R0.2 N#CSCCCl MCULE-1181766006 [0,1,1,0,0,0|0,1,1]=4 1800 B5R0.2 N#N=NCCCl MCULE-2902338750 [0,1,1,0,0,0|2,0,0]=4 1801 B5R0.2 N#N=NCCO MCULE-6147827656 [0,1,1,0,0,0|2,0,0]=4 1802 B5R0.2 NC/C=C\CCl MCULE-7895966955 [0,1,1,0,0,0|1,0,1]=4 1803 B5R0.2 NCC#CCCl MCULE-3774554520 [0,1,1,0,0,0|1,0,1]=4 1804 B5R0.2 NCC#CCCl MCULE-3851000158 [0,1,1,0,0,0|1,0,1]=4 1805 B5R0.2 NCC#CCO MCULE-4844677613 [0,1,1,0,0,0|1,0,1]=4 1806 B5R0.2 NCC#CCO MCULE-9095239812 [0,1,1,0,0,0|1,0,1]=4 1807 B5R0.2 NCC=CCO MCULE-4993379992 [0,1,1,0,0,0|1,0,1]=4 1808 B5R0.2 NCCCCBr MCULE-7095299053 [0,1,1,0,0,0|1,1,0]=4 1809 B5R0.2 NCCCCBr MCULE-7716027825 [0,1,1,0,0,0|1,1,0]=4 1810 B5R0.2 NCCCCCl MCULE-8484381726 [0,1,1,0,0,0|1,0,0]=3 1811 B5R0.2 NCCCCCl MCULE-9917306082 [0,1,1,0,0,0|1,0,0]=3 1812 B5R0.2 NCCCCF MCULE-4260727945 [0,1,1,0,0,0|1,1,0]=4 1813 B5R0.2 NCCCCF MCULE-7716720921 [0,1,1,0,0,0|1,1,0]=4 1814 B5R0.2 NCCCCN MCULE-3098044935 [0,1,1,0,0,0|2,0,0]=4 1815 B5R0.2 NCCCCN MCULE-7898833229 [0,1,1,0,0,0|2,0,0]=4 1816 B5R0.2 NCCCCN MCULE-8029479697 [0,1,1,0,0,0|2,0,0]=4 1817 B5R0.2 NCCCCN MCULE-8509656776 [0,1,1,0,0,0|2,0,0]=4 1818 B5R0.2 NCCCCO MCULE-7395674091 [0,1,1,0,0,0|1,0,0]=3 1819 B5R0.2 NCCCCS MCULE-4353910418 [0,1,1,0,0,0|1,1,0]=4 1820 B5R0.2 NCCCCS MCULE-9812416858 [0,1,1,0,0,0|1,1,0]=4 1821 B5R0.2 NCCCNN MCULE-7657257572 [0,1,1,0,0,0|2,0,0]=4 1822 B5R0.2 NCCCON MCULE-1071170242 [0,1,1,0,0,0|1,0,0]=3 1823 B5R0.2 NCCCON MCULE-7767315563 [0,1,1,0,0,0|1,0,0]=3 1824 B5R0.2 NNCCCO MCULE-5557482626 [0,1,1,0,0,0|1,0,0]=3 1825 B5R0.2 NNCCCO MCULE-7351853032 [0,1,1,0,0,0|1,0,0]=3 1826 B5R0.2 NNCCCO MCULE-7919314403 [0,1,1,0,0,0|1,0,0]=3 1827 B5R0.2 NOC/C=C/Cl MCULE-3781481075 [0,1,1,0,0,0|0,0,2]=4 1828 B5R0.2 NOC/C=C/Cl MCULE-8874475488 [0,1,1,0,0,0|0,0,2]=4 1829 B5R0.2 NOCC=CCl MCULE-5233830243 [0,1,1,0,0,0|0,0,2]=4 1830 B5R0.2 NOCC=CCl MCULE-7677577759 [0,1,1,0,0,0|0,0,2]=4 1831 B5R0.2 NOCCCO MCULE-1072312935 [0,1,1,0,0,0|1,0,0]=3 1832 B5R0.2 NOCCCO MCULE-3715520109 [0,1,1,0,0,0|1,0,0]=3 1833 B5R0.2 NOCCCS MCULE-2063976508 [0,1,1,0,0,0|1,0,0]=3 1834 B5R0.2 NOCCCS MCULE-3464018652 [0,1,1,0,0,0|1,0,0]=3 1835 B5R0.2 NOCCON MCULE-2027662613 [0,1,1,0,0,0|2,0,0]=4 1836 B5R0.2 NOCCON MCULE-3458073239 [0,1,1,0,0,0|2,0,0]=4 1837 B5R0.2 O=C=NCCCl MCULE-8919918461 [0,1,1,0,0,0|0,0,2]=4 1838 B5R0.2 O=CCCCBr MCULE-7239613396 [0,1,1,0,0,0|0,1,1]=4 1839 B5R0.2 O=CCCCCl MCULE-3011225716 [0,1,1,0,0,0|0,0,1]=3 1840 B5R0.2 O=CCCCI MCULE-3153720790 [0,1,1,0,0,0|0,1,1]=4 1841 B5R0.2 O=CCCCO MCULE-8728420992 [0,1,1,0,0,0|1,0,0]=3 1842 B5R0.2 O=CNCCO MCULE-3688614090 [0,1,1,0,0,0|1,0,1]=4 1843 B5R0.2 O=COCCO MCULE-1922672843 [0,1,1,0,0,0|1,0,1]=4 1844 B5R0.2 OC/C=C/CCl MCULE-4378785113 [0,1,1,0,0,0|0,0,1]=3 1845 B5R0.2 OC/C=C/CO MCULE-4752272005 [0,1,1,0,0,0|1,0,1]=4 1846 B5R0.2 OC/C=C\CO MCULE-2695577582 [0,1,1,0,0,0|1,0,1]=4 1847 B5R0.2 OC=CCCBr MCULE-3964604828 [0,1,1,0,0,0|0,1,1]=4 1848 B5R0.2 OC=CCCBr MCULE-5728835735 [0,1,1,0,0,0|0,1,1]=4 1849 B5R0.2 OCC#CCBr MCULE-1662147427 [0,1,1,0,0,0|0,1,1]=4 1850 B5R0.2 OCC#CCCl MCULE-9445494949 [0,1,1,0,0,0|0,0,1]=3 1851 B5R0.2 OCC#CCO MCULE-2650636766 [0,1,1,0,0,0|1,0,1]=4 1852 B5R0.2 OCC=CCCl MCULE-7597942117 [0,1,1,0,0,0|0,0,1]=3 1853 B5R0.2 OCC=CCO MCULE-9559211408 [0,1,1,0,0,0|1,0,1]=4 1854 B5R0.2 OCCCCBr MCULE-9231591925 [0,1,1,0,0,0|0,1,0]=3 1855 B5R0.2 OCCCCCl MCULE-3507644812 [0,1,1,0,0,0|0,0,0]=2 1856 B5R0.2 OCCCCF MCULE-9242285588 [0,1,1,0,0,0|0,1,0]=3 1857 B5R0.2 OCCCCI MCULE-8723720522 [0,1,1,0,0,0|0,1,0]=3 1858 B5R0.2 OCCCCO MCULE-2010022287 [0,1,1,0,0,0|1,0,0]=3 1859 B5R0.2 OCCCCO MCULE-6551106098 [0,1,1,0,0,0|1,0,0]=3 1860 B5R0.2 OCCCCS MCULE-8169490949 [0,1,1,0,0,0|1,0,0]=3 1861 B5R0.2 OCCNCO MCULE-2141033453 [0,1,1,0,0,0|1,0,0]=3 1862 B5R0.2 S=C=NCCCl MCULE-3919932972 [0,1,1,0,0,0|0,1,1]=4 1863 B5R0.2 SCCCCS MCULE-6695609899 [0,1,1,0,0,0|1,1,0]=4 1864 B5R1.4 CC1CC1N MCULE-4472318973 [1,1,0,0,0,0|1,0,0]=3 1865 B5R1.4 CC1CC1N MCULE-8037315228 [1,1,0,0,0,0|1,0,0]=3 1866 B5R1.4 CC1CC1O MCULE-2006758475 [1,1,0,0,0,0|1,0,0]=3 1867 B5R1.4 CC1OC1C MCULE-9780363671 [1,1,0,0,0,0|0,0,0]=2 1868 B5R1.4 C[C@@H]1C[C@@H]1N MCULE-6282896395 [1,1,0,0,0,0|1,0,0]=3 1869 B5R1.4 C[C@@H]1C[C@H]1N MCULE-1526017761 [1,1,0,0,0,0|1,0,0]=3 1870 B5R1.4 C[C@@H]1C[C@H]1N MCULE-7111745511 [1,1,0,0,0,0|1,0,0]=3 1871 B5R1.4 C[C@@H]1C[C@H]1N MCULE-7879046644 [1,1,0,0,0,0|1,0,0]=3 1872 B5R1.4 C[C@@H]1C[C@H]1N MCULE-9805986423 [1,1,0,0,0,0|1,0,0]=3 1873 B5R1.4 C[C@@H]1O[C@@H]1C MCULE-4355544092 [1,1,0,0,0,0|0,0,0]=2 1874 B5R1.4 C[C@@H]1O[C@H]1C MCULE-1930253682 [1,1,0,0,0,0|0,0,0]=2 1875 B5R1.4 C[C@H]1C[C@@H]1N MCULE-9525222696 [1,1,0,0,0,0|1,0,0]=3 1876 B5R1.4 C[C@H]1C[C@@H]1N MCULE-9658987958 [1,1,0,0,0,0|1,0,0]=3 1877 B5R1.4 C[C@H]1C[C@H]1N MCULE-4953477750 [1,1,0,0,0,0|1,0,0]=3 1878 B5R1.4 C[C@H]1C[C@H]1N MCULE-6429810931 [1,1,0,0,0,0|1,0,0]=3 1879 B5R1.4 C[C@H]1O[C@@H]1C MCULE-4354089942 [1,1,0,0,0,0|0,0,0]=2 1880 B5R1.4 C[C@H]1O[C@@H]1C MCULE-7982793342 [1,1,0,0,0,0|0,0,0]=2 1881 B5R1.4 FC1CC1Br MCULE-9881614971 [1,1,0,0,0,0|1,1,0]=4 1882 B5R1.4 NC1CC1F MCULE-8246845073 [1,1,0,0,0,0|1,1,0]=4 1883 B5R1.4 NC1CC1F MCULE-9705431616 [1,1,0,0,0,0|1,1,0]=4 1884 B5R1.4 NC1CC1N MCULE-2596247889 [1,1,0,0,0,0|2,0,0]=4 1885 B5R1.4 NC1CC1N MCULE-7859500244 [1,1,0,0,0,0|2,0,0]=4 1886 B5R1.4 NC1CC1O MCULE-2677451452 [1,1,0,0,0,0|2,0,0]=4 1887 B5R1.4 NC1CC1O MCULE-2909581707 [1,1,0,0,0,0|2,0,0]=4 1888 B5R1.4 NC1C[C@@H]1F MCULE-6104198419 [1,1,0,0,0,0|1,1,0]=4 1889 B5R1.4 NC1C[C@@H]1F MCULE-8327037761 [1,1,0,0,0,0|1,1,0]=4 1890 B5R1.4 N[C@@H]1C[C@@H]1F MCULE-1523759808 [1,1,0,0,0,0|1,1,0]=4 1891 B5R1.4 N[C@@H]1C[C@@H]1F MCULE-1966857090 [1,1,0,0,0,0|1,1,0]=4 1892 B5R1.4 N[C@@H]1C[C@@H]1F MCULE-3541599795 [1,1,0,0,0,0|1,1,0]=4 1893 B5R1.4 N[C@@H]1C[C@@H]1F MCULE-8279324103 [1,1,0,0,0,0|1,1,0]=4 1894 B5R1.4 N[C@@H]1C[C@@H]1O MCULE-1950197706 [1,1,0,0,0,0|2,0,0]=4 1895 B5R1.4 N[C@@H]1C[C@H]1F MCULE-1379839035 [1,1,0,0,0,0|1,1,0]=4 1896 B5R1.4 N[C@@H]1C[C@H]1F MCULE-7084330140 [1,1,0,0,0,0|1,1,0]=4 1897 B5R1.4 N[C@@H]1C[C@H]1F MCULE-7552076798 [1,1,0,0,0,0|1,1,0]=4 1898 B5R1.4 N[C@@H]1C[C@H]1F MCULE-7897288338 [1,1,0,0,0,0|1,1,0]=4 1899 B5R1.4 N[C@@H]1C[C@H]1N MCULE-3447984641 [1,1,0,0,0,0|2,0,0]=4 1900 B5R1.4 N[C@@H]1C[C@H]1N MCULE-6823903337 [1,1,0,0,0,0|2,0,0]=4 1901 B5R1.4 N[C@@H]1C[C@H]1N MCULE-7464483331 [1,1,0,0,0,0|2,0,0]=4 1902 B5R1.4 N[C@@H]1C[C@H]1N MCULE-8962336863 [1,1,0,0,0,0|2,0,0]=4 1903 B5R1.4 N[C@@H]1C[C@H]1O MCULE-5188790849 [1,1,0,0,0,0|2,0,0]=4 1904 B5R1.4 N[C@@H]1C[C@H]1O MCULE-8531829585 [1,1,0,0,0,0|2,0,0]=4 1905 B5R1.4 N[C@H]1C[C@@H]1F MCULE-2098980306 [1,1,0,0,0,0|1,1,0]=4 1906 B5R1.4 N[C@H]1C[C@@H]1F MCULE-4142129455 [1,1,0,0,0,0|1,1,0]=4 1907 B5R1.4 N[C@H]1C[C@@H]1F MCULE-8616633135 [1,1,0,0,0,0|1,1,0]=4 1908 B5R1.4 N[C@H]1C[C@@H]1F MCULE-8788279695 [1,1,0,0,0,0|1,1,0]=4 1909 B5R1.4 N[C@H]1C[C@@H]1N MCULE-3374448650 [1,1,0,0,0,0|2,0,0]=4 1910 B5R1.4 N[C@H]1C[C@@H]1N MCULE-3782038729 [1,1,0,0,0,0|2,0,0]=4 1911 B5R1.4 N[C@H]1C[C@@H]1N MCULE-7583094160 [1,1,0,0,0,0|2,0,0]=4 1912 B5R1.4 N[C@H]1C[C@@H]1O MCULE-4699241997 [1,1,0,0,0,0|2,0,0]=4 1913 B5R1.4 N[C@H]1C[C@H]1F MCULE-1665232627 [1,1,0,0,0,0|1,1,0]=4 1914 B5R1.4 N[C@H]1C[C@H]1F MCULE-1941678287 [1,1,0,0,0,0|1,1,0]=4 1915 B5R1.4 N[C@H]1C[C@H]1F MCULE-3275343851 [1,1,0,0,0,0|1,1,0]=4 1916 B5R1.4 N[C@H]1C[C@H]1F MCULE-5308534229 [1,1,0,0,0,0|1,1,0]=4 1917 B5R1.4 N[C@H]1C[C@H]1N MCULE-1426528738 [1,1,0,0,0,0|2,0,0]=4 1918 B5R1.4 N[C@H]1C[C@H]1N MCULE-6003446819 [1,1,0,0,0,0|2,0,0]=4 1919 B5R1.4 N[C@H]1C[C@H]1O MCULE-3609246488 [1,1,0,0,0,0|2,0,0]=4 1920 B5R1.4 N[C@H]1C[C@H]1O MCULE-3860963329 [1,1,0,0,0,0|2,0,0]=4 1921 B5R1.4 [C@@H]1(C[C@H]1N)F MCULE-5118118569 [1,1,0,0,0,0|1,1,0]=4 1922 B5R1.4 [C@H]1(C[C@H]1F)N MCULE-1071128348 [1,1,0,0,0,0|1,1,0]=4 1923 B5R1.4 [C@H]1(C[C@H]1F)N MCULE-8956631145 [1,1,0,0,0,0|1,1,0]=4 1924 B5R1.5 CC1(CC1)Br MCULE-7741990197 [1,1,0,0,0,0|1,0,0]=3 1925 B5R1.5 CC1(CC1)N MCULE-5669720871 [1,1,0,0,0,0|1,0,0]=3 1926 B5R1.5 CC1(CC1)N MCULE-6964629714 [1,1,0,0,0,0|1,0,0]=3 1927 B5R1.5 CC1(CC1)O MCULE-8472680145 [1,1,0,0,0,0|1,0,0]=3 1928 B5R1.5 CC1(CN1)C MCULE-8452595493 [1,1,0,0,0,0|1,0,0]=3 1929 B5R1.5 CC1(CO1)C MCULE-4247049920 [1,1,0,0,0,0|0,0,0]=2 1930 B5R1.5 CC1(CS1)C MCULE-7579931452 [1,1,0,0,0,0|0,1,0]=3 1931 B5R1.5 ClC1(CC1)Cl MCULE-1245940379 [1,1,0,0,0,0|1,0,0]=3 1932 B5R1.5 NC1(CC1)O MCULE-6134507215 [1,1,0,0,0,0|2,0,0]=4 1933 B5R1.5 NC1(CC1)O MCULE-9233065159 [1,1,0,0,0,0|2,0,0]=4 1934 B7R1.6 BrCCC1CCC1 MCULE-8124070706 [0,1,0,0,0,1|1,1,0]=4 1935 B7R1.6 BrCCC1CCO1 MCULE-2777479085 [0,1,0,0,0,1|0,1,0]=3 1936 B7R1.6 BrCCC1COC1 MCULE-8858681111 [0,1,0,0,0,1|0,1,0]=3 1937 B7R1.6 C1(CCN1)COC MCULE-6891607313 [0,1,0,0,0,1|2,0,0]=4 1938 B7R1.6 C=CCC1CNC1 MCULE-2499763329 [0,1,0,0,0,1|2,0,0]=4 1939 B7R1.6 C=CCC1CNC1 MCULE-7063989348 [0,1,0,0,0,1|2,0,0]=4 1940 B7R1.6 CCCC1CCN1 MCULE-7330412999 [0,1,0,0,0,1|2,0,0]=4 1941 B7R1.6 CCCC1CNC1 MCULE-4374477641 [0,1,0,0,0,1|2,0,0]=4 1942 B7R1.6 CCCC1CNC1 MCULE-8036298863 [0,1,0,0,0,1|2,0,0]=4 1943 B7R1.6 CCNC1CCC1 MCULE-2055959297 [0,1,0,0,0,1|2,0,0]=4 1944 B7R1.6 CCNC1CCC1 MCULE-2989731173 [0,1,0,0,0,1|2,0,0]=4 1945 B7R1.6 CCNC1CNC1 MCULE-3810334615 [0,1,0,0,0,1|2,0,0]=4 1946 B7R1.6 CCNC1CNC1 MCULE-3811754191 [0,1,0,0,0,1|2,0,0]=4 1947 B7R1.6 CCNC1COC1 MCULE-6357248771 [0,1,0,0,0,1|1,0,0]=3 1948 B7R1.6 CCNC1COC1 MCULE-8144856469 [0,1,0,0,0,1|1,0,0]=3 1949 B7R1.6 CCOC1CNC1 MCULE-5408347465 [0,1,0,0,0,1|2,0,0]=4 1950 B7R1.6 CCOC1CNC1 MCULE-5853062591 [0,1,0,0,0,1|2,0,0]=4 1951 B7R1.6 CCOC1CNC1 MCULE-7457457501 [0,1,0,0,0,1|2,0,0]=4 1952 B7R1.6 CCOC1CNC1 MCULE-9277972796 [0,1,0,0,0,1|2,0,0]=4 1953 B7R1.6 CNCC1CCC1 MCULE-3632390845 [0,1,0,0,0,1|2,0,0]=4 1954 B7R1.6 CNCC1CCC1 MCULE-4932211047 [0,1,0,0,0,1|2,0,0]=4 1955 B7R1.6 CNCC1CCO1 MCULE-5990606434 [0,1,0,0,0,1|1,0,0]=3 1956 B7R1.6 CNCC1CNC1 MCULE-3335619423 [0,1,0,0,0,1|2,0,0]=4 1957 B7R1.6 CNCC1COC1 MCULE-9048388624 [0,1,0,0,0,1|1,0,0]=3 1958 B7R1.6 COCC1CCN1 MCULE-3275131561 [0,1,0,0,0,1|2,0,0]=4 1959 B7R1.6 COCC1CCN1 MCULE-4183304984 [0,1,0,0,0,1|2,0,0]=4 1960 B7R1.6 COCC1CCN1 MCULE-7159192750 [0,1,0,0,0,1|2,0,0]=4 1961 B7R1.6 COCC1CNC1 MCULE-4967592714 [0,1,0,0,0,1|2,0,0]=4 1962 B7R1.6 COCC1CNC1 MCULE-6804867712 [0,1,0,0,0,1|2,0,0]=4 1963 B7R1.6 COCC1CNC1 MCULE-9862500955 [0,1,0,0,0,1|2,0,0]=4 1964 B7R1.6 COC[C@@H]1CCN1 MCULE-2241257059 [0,1,0,0,0,1|2,0,0]=4 1965 B7R1.6 COC[C@@H]1CCN1 MCULE-4677436919 [0,1,0,0,0,1|2,0,0]=4 1966 B7R1.6 COC[C@@H]1CCN1 MCULE-5280330847 [0,1,0,0,0,1|2,0,0]=4 1967 B7R1.6 COC[C@@H]1CCN1 MCULE-9466463613 [0,1,0,0,0,1|2,0,0]=4 1968 B7R1.6 COC[C@H]1CCN1 MCULE-7456820187 [0,1,0,0,0,1|2,0,0]=4 1969 B7R1.6 COC[C@H]1CCN1 MCULE-7652894052 [0,1,0,0,0,1|2,0,0]=4 1970 B7R1.6 ClCCN1CCC1 MCULE-1047861643 [0,1,0,0,0,1|2,0,0]=4 1971 B7R1.6 ClCCN1CCC1 MCULE-8627041760 [0,1,0,0,0,1|2,0,0]=4 1972 B7R1.6 ClCOC1CCC1 MCULE-3275885126 [0,1,0,0,0,1|1,0,0]=3 1973 B7R1.6 ICCC1CCO1 MCULE-3778448773 [0,1,0,0,0,1|0,1,0]=3 1974 B7R1.6 ICCC1COC1 MCULE-6063305860 [0,1,0,0,0,1|0,1,0]=3 1975 B7R1.6 N#CCC1CCC1 MCULE-6463664417 [0,1,0,0,0,1|2,0,0]=4 1976 B7R1.6 N#CCC1CNC1 MCULE-3508536871 [0,1,0,0,0,1|2,0,0]=4 1977 B7R1.6 N#CCC1CNC1 MCULE-3812836268 [0,1,0,0,0,1|2,0,0]=4 1978 B7R1.6 N#CCC1CNC1 MCULE-6335829979 [0,1,0,0,0,1|2,0,0]=4 1979 B7R1.6 N#CCC1COC1 MCULE-7466805866 [0,1,0,0,0,1|1,0,0]=3 1980 B7R1.6 N#N=NC1COC1 MCULE-3343393458 [0,1,0,0,0,1|2,0,0]=4 1981 B7R1.6 NCCC1CCC1 MCULE-2620603238 [0,1,0,0,0,1|2,0,0]=4 1982 B7R1.6 NCCC1CCC1 MCULE-8653518690 [0,1,0,0,0,1|2,0,0]=4 1983 B7R1.6 NCCC1CCO1 MCULE-3619983020 [0,1,0,0,0,1|1,0,0]=3 1984 B7R1.6 NCCC1CNC1 MCULE-7195412134 [0,1,0,0,0,1|2,0,0]=4 1985 B7R1.6 NCCC1COC1 MCULE-6363254952 [0,1,0,0,0,1|1,0,0]=3 1986 B7R1.6 NCCC1COC1 MCULE-6907504739 [0,1,0,0,0,1|1,0,0]=3 1987 B7R1.6 NCCC1CSC1 MCULE-5034757527 [0,1,0,0,0,1|1,1,0]=4 1988 B7R1.6 NCC[C@@H]1CCO1 MCULE-5442768835 [0,1,0,0,0,1|1,0,0]=3 1989 B7R1.6 NNCC1CCC1 MCULE-1501882161 [0,1,0,0,0,1|2,0,0]=4 1990 B7R1.6 NNCC1CCC1 MCULE-2534970700 [0,1,0,0,0,1|2,0,0]=4 1991 B7R1.6 NNCC1CCC1 MCULE-3026467418 [0,1,0,0,0,1|2,0,0]=4 1992 B7R1.6 NOCC1CCC1 MCULE-1477129462 [0,1,0,0,0,1|2,0,0]=4 1993 B7R1.6 NOCC1CCC1 MCULE-7638467520 [0,1,0,0,0,1|2,0,0]=4 1994 B7R1.6 O=CCC1CCC1 MCULE-6234957728 [0,1,0,0,0,1|2,0,0]=4 1995 B7R1.6 O=CCC1COC1 MCULE-3070858256 [0,1,0,0,0,1|1,0,0]=3 1996 B7R1.6 OCCC1CCC1 MCULE-1014969390 [0,1,0,0,0,1|2,0,0]=4 1997 B7R1.6 OCCC1CCN1 MCULE-4368379502 [0,1,0,0,0,1|2,0,0]=4 1998 B7R1.6 OCCC1CCO1 MCULE-3323265996 [0,1,0,0,0,1|1,0,0]=3 1999 B7R1.6 OCCC1CNC1 MCULE-1975411420 [0,1,0,0,0,1|2,0,0]=4 2000 B7R1.6 OCCC1CNC1 MCULE-4993890888 [0,1,0,0,0,1|2,0,0]=4 2001 B7R1.6 OCCC1COC1 MCULE-2515762048 [0,1,0,0,0,1|1,0,0]=3 2002 B7R1.6 OCC[C@@H]1CCN1 MCULE-9567198532 [0,1,0,0,0,1|2,0,0]=4 2003 B7R1.6 OCC[C@@H]1CCO1 MCULE-6606073727 [0,1,0,0,0,1|1,0,0]=3 2004 B7R1.6 OCC[C@H]1CCN1 MCULE-7385668340 [0,1,0,0,0,1|2,0,0]=4 2005 B7R1.6 OCC[C@H]1CCO1 MCULE-4848994972 [0,1,0,0,0,1|1,0,0]=3 2006 B7R1.6 OCC[C@H]1CCO1 MCULE-9787306242 [0,1,0,0,0,1|1,0,0]=3 2007 B7R1.8 CC1CCC1CO MCULE-4677269341 [0,1,0,0,0,1|2,0,0]=4 2008 B7R1.8 CCC1CCC1=O MCULE-5109615435 [0,1,0,0,0,1|2,0,0]=4 2009 B7R1.8 CN1CCC1CN MCULE-2100632643 [0,1,0,0,0,1|2,0,0]=4 2010 B7R1.8 CN1CCC1CN MCULE-3660614289 [0,1,0,0,0,1|2,0,0]=4 2011 B7R1.8 CN1CCC1CN MCULE-3692131671 [0,1,0,0,0,1|2,0,0]=4 2012 B7R1.8 CN1CCC1CN MCULE-7629527689 [0,1,0,0,0,1|2,0,0]=4 2013 B7R1.8 CN1CCC1CO MCULE-3475629266 [0,1,0,0,0,1|2,0,0]=4 2014 B7R1.8 CN1CC[C@@H]1CN MCULE-3688982926 [0,1,0,0,0,1|2,0,0]=4 2015 B7R1.8 CN1CC[C@@H]1CN MCULE-5002925247 [0,1,0,0,0,1|2,0,0]=4 2016 B7R1.8 CN1CC[C@@H]1CN MCULE-7546481794 [0,1,0,0,0,1|2,0,0]=4 2017 B7R1.8 CN1CC[C@@H]1CO MCULE-2590783241 [0,1,0,0,0,1|2,0,0]=4 2018 B7R1.8 CN1CC[C@@H]1CO MCULE-9683847113 [0,1,0,0,0,1|2,0,0]=4 2019 B7R1.8 CN1CC[C@H]1CN MCULE-1178047911 [0,1,0,0,0,1|2,0,0]=4 2020 B7R1.8 CN1CC[C@H]1CN MCULE-1250398573 [0,1,0,0,0,1|2,0,0]=4 2021 B7R1.8 CN1CC[C@H]1CN MCULE-2733818158 [0,1,0,0,0,1|2,0,0]=4 2022 B7R1.8 CN1CC[C@H]1CN MCULE-4100743401 [0,1,0,0,0,1|2,0,0]=4 2023 B7R1.8 CN1CC[C@H]1CN MCULE-4459814320 [0,1,0,0,0,1|2,0,0]=4 2024 B7R1.8 CN1CC[C@H]1CN MCULE-4703409645 [0,1,0,0,0,1|2,0,0]=4 2025 B7R1.8 CN1CC[C@H]1CN MCULE-6317046346 [0,1,0,0,0,1|2,0,0]=4 2026 B7R1.8 CN1CC[C@H]1CN MCULE-7413844263 [0,1,0,0,0,1|2,0,0]=4 2027 B7R1.8 CN1CC[C@H]1CO MCULE-6507300625 [0,1,0,0,0,1|2,0,0]=4 2028 B7R1.8 CN1CC[C@H]1CO MCULE-9641004134 [0,1,0,0,0,1|2,0,0]=4 2029 B7R1.8 NCC1CCC1F MCULE-6621673772 [0,1,0,0,0,1|2,0,0]=4 2030 B7R1.8 NCC1CCC1F MCULE-8982565541 [0,1,0,0,0,1|2,0,0]=4 2031 B7R1.8 O=C1CCC1CO MCULE-5501600764 [0,1,0,0,0,1|2,0,0]=4 2032 B7R1.8 O=C1CC[C@@H]1CO MCULE-9840363539 [0,1,0,0,0,1|2,0,0]=4 2033 B7R1.8 OCC1CCC1F MCULE-2481035584 [0,1,0,0,0,1|2,0,0]=4 2034 B7R1.8 OCC1CCC1O MCULE-9764745395 [0,1,0,0,0,1|2,0,0]=4 2035 B7R1.8 OC[C@@H]1CC[C@H]1O MCULE-5043281368 [0,1,0,0,0,1|2,0,0]=4 2036 B7R1.8 OC[C@H]1CC[C@H]1O MCULE-1536326248 [0,1,0,0,0,1|2,0,0]=4 2037 B7R1.10 C=C1CC(C1)CBr MCULE-5306604568 [0,1,0,0,0,1|1,1,0]=4 2038 B7R1.10 C=C1CC(C1)CN MCULE-1227151583 [0,1,0,0,0,1|2,0,0]=4 2039 B7R1.10 C=C1CC(C1)CO MCULE-6295731045 [0,1,0,0,0,1|2,0,0]=4 2040 B7R1.10 CC1CC(C1)CBr MCULE-3814375250 [0,1,0,0,0,1|1,1,0]=4 2041 B7R1.10 CC1CC(C1)CN MCULE-4821587591 [0,1,0,0,0,1|2,0,0]=4 2042 B7R1.10 CC1CC(C1)CN MCULE-8372628495 [0,1,0,0,0,1|2,0,0]=4 2043 B7R1.10 CC1CC(C1)CO MCULE-5730978355 [0,1,0,0,0,1|2,0,0]=4 2044 B7R1.10 CCC1CC(=O)C1 MCULE-6356390328 [0,1,0,0,0,1|2,0,0]=4 2045 B7R1.10 CN1CC(C1)CBr MCULE-6612509681 [0,1,0,0,0,1|1,1,0]=4 2046 B7R1.10 CN1CC(C1)CN MCULE-3348262246 [0,1,0,0,0,1|2,0,0]=4 2047 B7R1.10 CN1CC(C1)CN MCULE-4845485123 [0,1,0,0,0,1|2,0,0]=4 2048 B7R1.10 CN1CC(C1)CO MCULE-7263385340 [0,1,0,0,0,1|2,0,0]=4 2049 B7R1.10 CN1CC(C1)CO MCULE-8892079014 [0,1,0,0,0,1|2,0,0]=4 2050 B7R1.10 NC1CC(C1)CO MCULE-4549811698 [0,1,0,0,0,1|2,0,0]=4 2051 B7R1.10 NC1CC(C1)CO MCULE-9310533439 [0,1,0,0,0,1|2,0,0]=4 2052 B7R1.10 NCC1CC(=O)C1 MCULE-2475090953 [0,1,0,0,0,1|2,0,0]=4 2053 B7R1.10 NCC1CC(=O)C1 MCULE-3448735299 [0,1,0,0,0,1|2,0,0]=4 2054 B7R1.10 NCC1CC(=O)N1 MCULE-6099913032 [0,1,0,0,0,1|2,0,0]=4 2055 B7R1.10 NCC1CC(C1)F MCULE-8395280530 [0,1,0,0,0,1|2,0,0]=4 2056 B7R1.10 NCC1CC(C1)F MCULE-9102367552 [0,1,0,0,0,1|2,0,0]=4 2057 B7R1.10 NCC1CC(C1)O MCULE-1448807479 [0,1,0,0,0,1|2,0,0]=4 2058 B7R1.10 NCC1CC(C1)O MCULE-5095960848 [0,1,0,0,0,1|2,0,0]=4 2059 B7R1.10 NC[C@H]1C[C@@H](C1)F MCULE-5013421604 [0,1,0,0,0,1|2,0,0]=4 2060 B7R1.10 NC[C@H]1C[C@@H](C1)F MCULE-9543558044 [0,1,0,0,0,1|2,0,0]=4 2061 B7R1.10 NC[C@H]1C[C@@H](C1)O MCULE-2155101378 [0,1,0,0,0,1|2,0,0]=4 2062 B7R1.10 NC[C@H]1C[C@@H](C1)O MCULE-3237212031 [0,1,0,0,0,1|2,0,0]=4 2063 B7R1.10 NC[C@H]1C[C@H](C1)O MCULE-3137766844 [0,1,0,0,0,1|2,0,0]=4 2064 B7R1.10 NC[C@H]1C[C@H](C1)O MCULE-6173771659 [0,1,0,0,0,1|2,0,0]=4 2065 B7R1.10 N[C@H]1C[C@@H](C1)CO MCULE-1976271596 [0,1,0,0,0,1|2,0,0]=4 2066 B7R1.10 N[C@H]1C[C@@H](C1)CO MCULE-2004610084 [0,1,0,0,0,1|2,0,0]=4 2067 B7R1.10 N[C@H]1C[C@H](C1)CO MCULE-3406959231 [0,1,0,0,0,1|2,0,0]=4 2068 B7R1.10 N[C@H]1C[C@H](C1)CO MCULE-9771399616 [0,1,0,0,0,1|2,0,0]=4 2069 B7R1.10 O=C1CC(C1)CBr MCULE-3146426428 [0,1,0,0,0,1|1,1,0]=4 2070 B7R1.10 O=C1CC(C1)CCl MCULE-9945216137 [0,1,0,0,0,1|1,0,0]=3 2071 B7R1.10 O=C1CC(C1)CF MCULE-5064337976 [0,1,0,0,0,1|1,1,0]=4 2072 B7R1.10 O=C1CC(C1)CO MCULE-6785243243 [0,1,0,0,0,1|2,0,0]=4 2073 B7R1.10 O=C1CC(N1)CI MCULE-8223453504 [0,1,0,0,0,1|1,1,0]=4 2074 B7R1.10 O=C1CC(N1)CO MCULE-5966757004 [0,1,0,0,0,1|2,0,0]=4 2075 B7R1.10 O=C1CC(N1)CO MCULE-7672639952 [0,1,0,0,0,1|2,0,0]=4 2076 B7R1.10 O=C1CC(O1)CBr MCULE-1451058371 [0,1,0,0,0,1|0,1,0]=3 2077 B7R1.10 O=C1C[C@@H](N1)CO MCULE-7235908958 [0,1,0,0,0,1|2,0,0]=4 2078 B7R1.10 O=C1C[C@@H](N1)CO MCULE-9940834935 [0,1,0,0,0,1|2,0,0]=4 2079 B7R1.10 O=C1C[C@H](N1)CO MCULE-1643787736 [0,1,0,0,0,1|2,0,0]=4 2080 B7R1.10 OC1CC(C1)CBr MCULE-8641406432 [0,1,0,0,0,1|1,1,0]=4 2081 B7R1.10 OC1CC(C1)CF MCULE-9152872996 [0,1,0,0,0,1|1,1,0]=4 2082 B7R1.10 OCC1CC(C1)Br MCULE-6426656913 [0,1,0,0,0,1|2,0,0]=4 2083 B7R1.10 OCC1CC(C1)Cl MCULE-8102550006 [0,1,0,0,0,1|2,0,0]=4 2084 B7R1.10 OCC1CC(C1)F MCULE-8343173774 [0,1,0,0,0,1|2,0,0]=4 2085 B7R1.10 OCC1CC(C1)O MCULE-3885216336 [0,1,0,0,0,1|2,0,0]=4 2086 B7R1.10 OC[C@H]1C[C@H](C1)O MCULE-2350233032 [0,1,0,0,0,1|2,0,0]=4 2087 B7R1.10 O[C@H]1C[C@H](C1)CF MCULE-2417083162 [0,1,0,0,0,1|1,1,0]=4 2088 B7R1.10 [C@@H]1(C[C@H](C1)CN)F MCULE-1449288209 [0,1,0,0,0,1|2,0,0]=4 2089 B7R1.10 [C@@H]1(C[C@H](C1)CN)F MCULE-2879792720 [0,1,0,0,0,1|2,0,0]=4 2090 B7R1.18 CC(=O)C1COC1 MCULE-3416774210 [0,1,0,0,0,1|1,0,1]=4 2091 B7R1.18 CC(C)C1CNC1 MCULE-4830353053 [0,1,0,0,0,1|2,0,0]=4 2092 B7R1.18 CC(C)C1CNC1 MCULE-7304386148 [0,1,0,0,0,1|2,0,0]=4 2093 B7R1.18 CC(N)C1CCC1 MCULE-1055775237 [0,1,0,0,0,1|2,0,0]=4 2094 B7R1.18 CC(N)C1CCC1 MCULE-4303681430 [0,1,0,0,0,1|2,0,0]=4 2095 B7R1.18 CC(N)C1COC1 MCULE-1380624257 [0,1,0,0,0,1|1,0,0]=3 2096 B7R1.18 CC(N)C1CSC1 MCULE-5095506053 [0,1,0,0,0,1|1,1,0]=4 2097 B7R1.18 CC(O)C1CCC1 MCULE-7846963519 [0,1,0,0,0,1|2,0,0]=4 2098 B7R1.18 CC(O)C1CNC1 MCULE-1265886795 [0,1,0,0,0,1|2,0,0]=4 2099 B7R1.18 CC(O)C1CNC1 MCULE-5108259269 [0,1,0,0,0,1|2,0,0]=4 2100 B7R1.18 CC(O)C1CNC1 MCULE-8265279011 [0,1,0,0,0,1|2,0,0]=4 2101 B7R1.18 CC(O)C1COC1 MCULE-4981198639 [0,1,0,0,0,1|1,0,0]=3 2102 B7R1.18 C[C@@H](N)C1CCC1 MCULE-4670161237 [0,1,0,0,0,1|2,0,0]=4 2103 B7R1.18 C[C@@H](N)C1CCC1 MCULE-6520272933 [0,1,0,0,0,1|2,0,0]=4 2104 B7R1.18 C[C@@H](N)C1CCC1 MCULE-8342688572 [0,1,0,0,0,1|2,0,0]=4 2105 B7R1.18 C[C@@H](N)C1CCC1 MCULE-9076983662 [0,1,0,0,0,1|2,0,0]=4 2106 B7R1.18 C[C@@H](N)C1COC1 MCULE-7669553866 [0,1,0,0,0,1|1,0,0]=3 2107 B7R1.18 C[C@@H](O)C1CCC1 MCULE-6990873960 [0,1,0,0,0,1|2,0,0]=4 2108 B7R1.18 C[C@@H](O)C1COC1 MCULE-5223611242 [0,1,0,0,0,1|1,0,0]=3 2109 B7R1.18 C[C@@H](O)C1COC1 MCULE-5819578881 [0,1,0,0,0,1|1,0,0]=3 2110 B7R1.18 C[C@H](N)C1CCC1 MCULE-2555280675 [0,1,0,0,0,1|2,0,0]=4 2111 B7R1.18 C[C@H](N)C1CCC1 MCULE-3888125434 [0,1,0,0,0,1|2,0,0]=4 2112 B7R1.18 C[C@H](N)C1CCC1 MCULE-6963105805 [0,1,0,0,0,1|2,0,0]=4 2113 B7R1.18 C[C@H](N)C1CCC1 MCULE-7483270694 [0,1,0,0,0,1|2,0,0]=4 2114 B7R1.18 C[C@H](N)C1COC1 MCULE-8337949293 [0,1,0,0,0,1|1,0,0]=3 2115 B7R1.18 C[C@H](O)C1CCC1 MCULE-5072123772 [0,1,0,0,0,1|2,0,0]=4 2116 B7R1.18 C[C@H](O)C1CCC1 MCULE-6701623925 [0,1,0,0,0,1|2,0,0]=4 2117 B7R1.18 C[C@H](O)C1CNC1 MCULE-4694154501 [0,1,0,0,0,1|2,0,0]=4 2118 B7R1.18 C[C@H](O)C1CNC1 MCULE-5870270724 [0,1,0,0,0,1|2,0,0]=4 2119 B7R1.18 C[C@H](O)C1COC1 MCULE-1396791034 [0,1,0,0,0,1|1,0,0]=3 2120 B7R1.18 C[C@H](O)C1COC1 MCULE-8805369596 [0,1,0,0,0,1|1,0,0]=3 2121 B7R1.18 FC(F)C1CCN1 MCULE-3910207881 [0,1,0,0,0,1|1,1,0]=4 2122 B7R1.18 FC(F)C1CCN1 MCULE-5707260715 [0,1,0,0,0,1|1,1,0]=4 2123 B7R1.18 FC(F)C1CNC1 MCULE-3640904745 [0,1,0,0,0,1|1,1,0]=4 2124 B7R1.18 FC(F)C1CNC1 MCULE-9364868143 [0,1,0,0,0,1|1,1,0]=4 2125 B7R1.18 FC(F)[C@@H]1CCN1 MCULE-1910962420 [0,1,0,0,0,1|1,1,0]=4 2126 B7R1.18 FC(F)[C@@H]1CCN1 MCULE-6835685852 [0,1,0,0,0,1|1,1,0]=4 2127 B7R1.18 FC(F)[C@H]1CCN1 MCULE-1770896469 [0,1,0,0,0,1|1,1,0]=4 2128 B7R1.18 FC(F)[C@H]1CCN1 MCULE-5057191247 [0,1,0,0,0,1|1,1,0]=4 2129 B7R1.18 FC(F)[C@H]1CCN1 MCULE-7880065029 [0,1,0,0,0,1|1,1,0]=4 2130 B7R1.18 FC(F)[C@H]1CCN1 MCULE-8422110066 [0,1,0,0,0,1|1,1,0]=4 2131 B7R1.18 NC(=O)C1COC1 MCULE-1077689713 [0,1,0,0,0,1|1,0,1]=4 2132 B7R1.18 O=C(Cl)C1CCC1 MCULE-2155859428 [0,1,0,0,0,1|1,0,1]=4 2133 B7R1.18 O=C(O)C1CCO1 MCULE-6065911736 [0,1,0,0,0,1|1,0,1]=4 2134 B7R1.18 O=C(O)C1CCO1 MCULE-9296370119 [0,1,0,0,0,1|1,0,1]=4 2135 B7R1.18 O=C(O)C1COC1 MCULE-2530431165 [0,1,0,0,0,1|1,0,1]=4 2136 B7R1.18 O=C(O)[C@@H]1CCO1 MCULE-5117442811 [0,1,0,0,0,1|1,0,1]=4 2137 B7R1.18 O=C(O)[C@@H]1CCO1 MCULE-8116248615 [0,1,0,0,0,1|1,0,1]=4 2138 B7R1.18 O=C(O)[C@H]1CCO1 MCULE-5499247834 [0,1,0,0,0,1|1,0,1]=4 2139 B7R1.18 O=C(O)[C@H]1CCO1 MCULE-7468207073 [0,1,0,0,0,1|1,0,1]=4 2140 B7R1.18 O=N(=O)C1COC1 MCULE-1243582303 [0,1,0,0,0,1|2,0,0]=4 2141 B7R1.25 C#CC1(COC1)C MCULE-8884347965 [0,1,0,0,0,1|1,0,1]=4 2142 B7R1.25 C#CC1(COC1)F MCULE-7627715668 [0,1,0,0,0,1|1,0,1]=4 2143 B7R1.25 C#CC1(COC1)N MCULE-5433976736 [0,1,0,0,0,1|1,0,1]=4 2144 B7R1.25 C#CC1(COC1)N MCULE-9884833232 [0,1,0,0,0,1|1,0,1]=4 2145 B7R1.25 C#CC1(COC1)O MCULE-8197450802 [0,1,0,0,0,1|1,0,1]=4 2146 B7R1.25 C=CC1(COC1)N MCULE-1446171155 [0,1,0,0,0,1|1,0,1]=4 2147 B7R1.25 C=CC1(COC1)N MCULE-2444826926 [0,1,0,0,0,1|1,0,1]=4 2148 B7R1.25 C=CC1(COC1)O MCULE-3192470057 [0,1,0,0,0,1|1,0,1]=4 2149 B7R1.25 CC1(CCC1)CBr MCULE-8887285694 [0,1,0,0,0,1|1,1,0]=4 2150 B7R1.25 CC1(CCC1)CN MCULE-2351992333 [0,1,0,0,0,1|2,0,0]=4 2151 B7R1.25 CC1(CCC1)CN MCULE-4768166684 [0,1,0,0,0,1|2,0,0]=4 2152 B7R1.25 CC1(CCC1)CO MCULE-9646690839 [0,1,0,0,0,1|2,0,0]=4 2153 B7R1.25 CC1(CCC1)CS MCULE-2920048402 [0,1,0,0,0,1|2,0,0]=4 2154 B7R1.25 CC1(CCN1)CO MCULE-2134260042 [0,1,0,0,0,1|2,0,0]=4 2155 B7R1.25 CC1(CCN1)CO MCULE-3210259937 [0,1,0,0,0,1|2,0,0]=4 2156 B7R1.25 CC1(CCO1)CN MCULE-1371408706 [0,1,0,0,0,1|1,0,0]=3 2157 B7R1.25 CC1(CCO1)CO MCULE-6424264752 [0,1,0,0,0,1|1,0,0]=3 2158 B7R1.25 CC1(CNC1)CF MCULE-3915015007 [0,1,0,0,0,1|1,1,0]=4 2159 B7R1.25 CC1(CNC1)CF MCULE-9466310680 [0,1,0,0,0,1|1,1,0]=4 2160 B7R1.25 CC1(CNC1)CN MCULE-1219615860 [0,1,0,0,0,1|2,0,0]=4 2161 B7R1.25 CC1(CNC1)CN MCULE-8264013292 [0,1,0,0,0,1|2,0,0]=4 2162 B7R1.25 CC1(CNC1)CO MCULE-4856424189 [0,1,0,0,0,1|2,0,0]=4 2163 B7R1.25 CC1(CNC1)CO MCULE-7118798664 [0,1,0,0,0,1|2,0,0]=4 2164 B7R1.25 CC1(COC1)C#N MCULE-2081182478 [0,1,0,0,0,1|1,0,1]=4 2165 B7R1.25 CC1(COC1)C=O MCULE-4295634366 [0,1,0,0,0,1|1,0,1]=4 2166 B7R1.25 CC1(COC1)CBr MCULE-5644951797 [0,1,0,0,0,1|0,1,0]=3 2167 B7R1.25 CC1(COC1)CCl MCULE-3299014950 [0,1,0,0,0,1|0,0,0]=2 2168 B7R1.25 CC1(COC1)CI MCULE-2311899293 [0,1,0,0,0,1|0,1,0]=3 2169 B7R1.25 CC1(COC1)CN MCULE-1465461565 [0,1,0,0,0,1|1,0,0]=3 2170 B7R1.25 CC1(COC1)CN MCULE-9032740574 [0,1,0,0,0,1|1,0,0]=3 2171 B7R1.25 CC1(COC1)CN MCULE-9508101523 [0,1,0,0,0,1|1,0,0]=3 2172 B7R1.25 CC1(COC1)CO MCULE-5859568263 [0,1,0,0,0,1|1,0,0]=3 2173 B7R1.25 CC1(COC1)CS MCULE-6297617076 [0,1,0,0,0,1|1,0,0]=3 2174 B7R1.25 CC1(CSC1)CO MCULE-2267957602 [0,1,0,0,0,1|1,1,0]=4 2175 B7R1.25 CCC1(CCC1)N MCULE-5053916607 [0,1,0,0,0,1|2,0,0]=4 2176 B7R1.25 CCC1(CCC1)N MCULE-5413278315 [0,1,0,0,0,1|2,0,0]=4 2177 B7R1.25 CCC1(CNC1)C MCULE-6047240128 [0,1,0,0,0,1|2,0,0]=4 2178 B7R1.25 CCC1(CNC1)C MCULE-7401095376 [0,1,0,0,0,1|2,0,0]=4 2179 B7R1.25 CCC1(CNC1)F MCULE-1017966726 [0,1,0,0,0,1|2,0,0]=4 2180 B7R1.25 CCC1(CNC1)F MCULE-7766358285 [0,1,0,0,0,1|2,0,0]=4 2181 B7R1.25 CCC1(CNC1)N MCULE-3356995774 [0,1,0,0,0,1|2,0,0]=4 2182 B7R1.25 CCC1(CNC1)N MCULE-3405511665 [0,1,0,0,0,1|2,0,0]=4 2183 B7R1.25 CCC1(CNC1)N MCULE-9106873585 [0,1,0,0,0,1|2,0,0]=4 2184 B7R1.25 CCC1(CNC1)O MCULE-5663327812 [0,1,0,0,0,1|2,0,0]=4 2185 B7R1.25 CCC1(CNC1)O MCULE-5973200057 [0,1,0,0,0,1|2,0,0]=4 2186 B7R1.25 CCC1(CNC1)O MCULE-7770950299 [0,1,0,0,0,1|2,0,0]=4 2187 B7R1.25 CCC1(COC1)N MCULE-1675536237 [0,1,0,0,0,1|1,0,0]=3 2188 B7R1.25 CCC1(COC1)N MCULE-2070317664 [0,1,0,0,0,1|1,0,0]=3 2189 B7R1.25 CCC1(COC1)O MCULE-7543171366 [0,1,0,0,0,1|1,0,0]=3 2190 B7R1.25 CNC1(COC1)C MCULE-4717844922 [0,1,0,0,0,1|2,0,0]=4 2191 B7R1.25 CNC1(COC1)C MCULE-6586517624 [0,1,0,0,0,1|2,0,0]=4 2192 B7R1.25 C[C@@]1(CCO1)CN MCULE-8755107224 [0,1,0,0,0,1|1,0,0]=3 2193 B7R1.25 C[C@@]1(CCO1)CO MCULE-4685471926 [0,1,0,0,0,1|1,0,0]=3 2194 B7R1.25 C[C@@]1(CCO1)CO MCULE-5799098537 [0,1,0,0,0,1|1,0,0]=3 2195 B7R1.25 C[C@]1(CCO1)CO MCULE-5749345841 [0,1,0,0,0,1|1,0,0]=3 2196 B7R1.25 FC1(CCC1)CBr MCULE-3319458488 [0,1,0,0,0,1|1,1,0]=4 2197 B7R1.25 FC1(COC1)CBr MCULE-5677480606 [0,1,0,0,0,1|0,1,0]=3 2198 B7R1.25 FC1(COC1)CI MCULE-7872792591 [0,1,0,0,0,1|0,1,0]=3 2199 B7R1.25 FCC1(CNC1)F MCULE-5055602191 [0,1,0,0,0,1|1,1,0]=4 2200 B7R1.25 FCC1(CNC1)F MCULE-8024202606 [0,1,0,0,0,1|1,1,0]=4 2201 B7R1.25 N#CC1(COC1)N MCULE-7987341637 [0,1,0,0,0,1|1,0,1]=4 2202 B7R1.25 N#CC1(COC1)N MCULE-8030800216 [0,1,0,0,0,1|1,0,1]=4 2203 B7R1.25 N#CC1(COC1)O MCULE-4264738108 [0,1,0,0,0,1|1,0,1]=4 2204 B7R1.25 NC1(CCC1)CF MCULE-1820863854 [0,1,0,0,0,1|1,1,0]=4 2205 B7R1.25 NC1(CCC1)CF MCULE-4073039809 [0,1,0,0,0,1|1,1,0]=4 2206 B7R1.25 NC1(CCC1)CO MCULE-3303213714 [0,1,0,0,0,1|2,0,0]=4 2207 B7R1.25 NC1(CCC1)CO MCULE-7230626576 [0,1,0,0,0,1|2,0,0]=4 2208 B7R1.25 NC1(COC1)CF MCULE-5210114564 [0,1,0,0,0,1|0,1,0]=3 2209 B7R1.25 NC1(COC1)CF MCULE-9301949135 [0,1,0,0,0,1|0,1,0]=3 2210 B7R1.25 NC1(COC1)CO MCULE-5347414182 [0,1,0,0,0,1|1,0,0]=3 2211 B7R1.25 NCC1(CCC1)F MCULE-4269584193 [0,1,0,0,0,1|2,0,0]=4 2212 B7R1.25 NCC1(CCC1)F MCULE-8050912377 [0,1,0,0,0,1|2,0,0]=4 2213 B7R1.25 NCC1(CCC1)N MCULE-4976713787 [0,1,0,0,0,1|2,0,0]=4 2214 B7R1.25 NCC1(CCC1)N MCULE-8019875303 [0,1,0,0,0,1|2,0,0]=4 2215 B7R1.25 NCC1(CCC1)O MCULE-1242555690 [0,1,0,0,0,1|2,0,0]=4 2216 B7R1.25 NCC1(COC1)F MCULE-4525292125 [0,1,0,0,0,1|1,0,0]=3 2217 B7R1.25 NCC1(COC1)N MCULE-1079562077 [0,1,0,0,0,1|1,0,0]=3 2218 B7R1.25 NCC1(COC1)N MCULE-6820840703 [0,1,0,0,0,1|1,0,0]=3 2219 B7R1.25 NCC1(COC1)N MCULE-6888014911 [0,1,0,0,0,1|1,0,0]=3 2220 B7R1.25 NCC1(COC1)O MCULE-6677052127 [0,1,0,0,0,1|1,0,0]=3 2221 B7R1.25 OC1(CCC1)CBr MCULE-7282991867 [0,1,0,0,0,1|1,1,0]=4 2222 B7R1.25 OC1(CNC1)CF MCULE-2176182716 [0,1,0,0,0,1|1,1,0]=4 2223 B7R1.25 OC1(CNC1)CF MCULE-4315199916 [0,1,0,0,0,1|1,1,0]=4 2224 B7R1.25 OC1(COC1)CF MCULE-1428128025 [0,1,0,0,0,1|0,1,0]=3 2225 B7R1.25 OCC1(CCC1)F MCULE-5944864184 [0,1,0,0,0,1|2,0,0]=4 2226 B7R1.25 OCC1(CCC1)O MCULE-2830358505 [0,1,0,0,0,1|2,0,0]=4 2227 B7R1.25 OCC1(CNC1)F MCULE-7526502512 [0,1,0,0,0,1|2,0,0]=4 2228 B7R1.25 OCC1(CNC1)F MCULE-7804174908 [0,1,0,0,0,1|2,0,0]=4 2229 B7R1.25 OCC1(CNC1)O MCULE-1089145184 [0,1,0,0,0,1|2,0,0]=4 2230 B7R1.25 OCC1(CNC1)O MCULE-8217738451 [0,1,0,0,0,1|2,0,0]=4 2231 B7R1.25 OCC1(CNC1)O MCULE-9215525935 [0,1,0,0,0,1|2,0,0]=4 2232 B7R1.25 OCC1(CNC1)O MCULE-9389454165 [0,1,0,0,0,1|2,0,0]=4 2233 B7R1.25 OCC1(COC1)F MCULE-9098723776 [0,1,0,0,0,1|1,0,0]=3 2234 B7R1.25 OCC1(COC1)O MCULE-4207928663 [0,1,0,0,0,1|1,0,0]=3 2235 B7R1.5 CCCC1CC1N MCULE-6204339829 [0,2,0,0,0,0|2,0,0]=4 2236 B7R1.5 CCCC1ON1C MCULE-8959342998 [0,2,0,0,0,0|2,0,0]=4 2237 B7R1.5 CCOC1CC1N MCULE-1141331549 [0,2,0,0,0,0|2,0,0]=4 2238 B7R1.5 CNCC1CC1C MCULE-9748636910 [0,2,0,0,0,0|2,0,0]=4 2239 B7R1.7 BrCC#CC1CC1 MCULE-1396691712 [0,2,0,0,0,0|1,1,0]=4 2240 B7R1.7 BrCCCC1CC1 MCULE-1359115765 [0,2,0,0,0,0|1,1,0]=4 2241 B7R1.7 BrCCOC1CC1 MCULE-5137842235 [0,2,0,0,0,0|1,1,0]=4 2242 B7R1.7 C#CCCC1CO1 MCULE-8252140231 [0,2,0,0,0,0|1,0,0]=3 2243 B7R1.7 C#CCNC1CC1 MCULE-2294147872 [0,2,0,0,0,0|2,0,0]=4 2244 B7R1.7 C=CCCC1CO1 MCULE-2331378134 [0,2,0,0,0,0|1,0,0]=3 2245 B7R1.7 C=CCC[C@H]1CO1 MCULE-4953904401 [0,2,0,0,0,0|1,0,0]=3 2246 B7R1.7 C=CCC[C@H]1CO1 MCULE-7730579466 [0,2,0,0,0,0|1,0,0]=3 2247 B7R1.7 CC/C=C/[C@H]1CO1 MCULE-2083815927 [0,2,0,0,0,0|1,0,0]=3 2248 B7R1.7 CCCCC1CO1 MCULE-8403189539 [0,2,0,0,0,0|1,0,0]=3 2249 B7R1.7 CCCNC1CC1 MCULE-7033521193 [0,2,0,0,0,0|2,0,0]=4 2250 B7R1.7 CCCNC1CC1 MCULE-8227176324 [0,2,0,0,0,0|2,0,0]=4 2251 B7R1.7 CCNCC1CC1 MCULE-3070053773 [0,2,0,0,0,0|2,0,0]=4 2252 B7R1.7 CCNCC1CC1 MCULE-5997221486 [0,2,0,0,0,0|2,0,0]=4 2253 B7R1.7 CCOCC1CO1 MCULE-2647353662 [0,2,0,0,0,0|1,0,0]=3 2254 B7R1.7 CCONC1CC1 MCULE-5199479207 [0,2,0,0,0,0|2,0,0]=4 2255 B7R1.7 CCONC1CC1 MCULE-5905564764 [0,2,0,0,0,0|2,0,0]=4 2256 B7R1.7 CNCCC1CC1 MCULE-2375777124 [0,2,0,0,0,0|2,0,0]=4 2257 B7R1.7 CNCCC1CC1 MCULE-9913761675 [0,2,0,0,0,0|2,0,0]=4 2258 B7R1.7 CNOCC1CC1 MCULE-1735426846 [0,2,0,0,0,0|2,0,0]=4 2259 B7R1.7 CNOCC1CC1 MCULE-3664885073 [0,2,0,0,0,0|2,0,0]=4 2260 B7R1.7 COCCC1CO1 MCULE-9068008411 [0,2,0,0,0,0|1,0,0]=3 2261 B7R1.7 COCNC1CC1 MCULE-6233934333 [0,2,0,0,0,0|2,0,0]=4 2262 B7R1.7 ClCCOC1CC1 MCULE-1732267732 [0,2,0,0,0,0|1,0,0]=3 2263 B7R1.7 N#CCCC1CC1 MCULE-2020373635 [0,2,0,0,0,0|2,0,0]=4 2264 B7R1.7 N#CCNC1CC1 MCULE-4531387679 [0,2,0,0,0,0|2,0,0]=4 2265 B7R1.7 N#N=NCC1CC1 MCULE-9861179079 [0,2,0,0,0,0|2,0,0]=4 2266 B7R1.7 NCC#CC1CC1 MCULE-5607359525 [0,2,0,0,0,0|2,0,0]=4 2267 B7R1.7 NCC#CC1CC1 MCULE-6694757376 [0,2,0,0,0,0|2,0,0]=4 2268 B7R1.7 NCCCC1CC1 MCULE-1579218471 [0,2,0,0,0,0|2,0,0]=4 2269 B7R1.7 NCCCC1CC1 MCULE-8160460213 [0,2,0,0,0,0|2,0,0]=4 2270 B7R1.7 NCCNC1CC1 MCULE-9756738460 [0,2,0,0,0,0|2,0,0]=4 2271 B7R1.7 NCCOC1CC1 MCULE-2021686793 [0,2,0,0,0,0|2,0,0]=4 2272 B7R1.7 NCCOC1CC1 MCULE-9123639402 [0,2,0,0,0,0|2,0,0]=4 2273 B7R1.7 NOCCC1CC1 MCULE-1304023980 [0,2,0,0,0,0|2,0,0]=4 2274 B7R1.7 NOCCC1CC1 MCULE-8656049274 [0,2,0,0,0,0|2,0,0]=4 2275 B7R1.7 O=C=NCC1CC1 MCULE-8504006885 [0,2,0,0,0,0|2,0,0]=4 2276 B7R1.7 O=CCCC1CC1 MCULE-2890512932 [0,2,0,0,0,0|2,0,0]=4 2277 B7R1.7 OCC#CC1CC1 MCULE-2880378177 [0,2,0,0,0,0|2,0,0]=4 2278 B7R1.7 OCC=CC1CC1 MCULE-8179220972 [0,2,0,0,0,0|2,0,0]=4 2279 B7R1.7 OCCCC1CC1 MCULE-5336501479 [0,2,0,0,0,0|2,0,0]=4 2280 B7R1.7 OCCNC1CC1 MCULE-2068668434 [0,2,0,0,0,0|2,0,0]=4 2281 B7R1.7 OCCOC1CC1 MCULE-8583841482 [0,2,0,0,0,0|2,0,0]=4 2282 B7R1.7 ON=CCC1CC1 MCULE-4604594732 [0,2,0,0,0,0|2,0,0]=4 2283 B7R1.7 S=C=NCC1CC1 MCULE-9057933373 [0,2,0,0,0,0|2,0,0]=4 2284 B7R1.20 CC(=O)CC1CC1 MCULE-3465510397 [0,2,0,0,0,0|2,0,0]=4 2285 B7R1.20 CC(C)CC1CO1 MCULE-7259971470 [0,2,0,0,0,0|1,0,0]=3 2286 B7R1.20 CC(C)NC1CC1 MCULE-6011790113 [0,2,0,0,0,0|2,0,0]=4 2287 B7R1.20 CC(C)NC1CC1 MCULE-8727654998 [0,2,0,0,0,0|2,0,0]=4 2288 B7R1.20 CC(N)CC1CC1 MCULE-1913565015 [0,2,0,0,0,0|2,0,0]=4 2289 B7R1.20 CC(N)CC1CC1 MCULE-2214997571 [0,2,0,0,0,0|2,0,0]=4 2290 B7R1.20 CC(O)CC1CC1 MCULE-1952195648 [0,2,0,0,0,0|2,0,0]=4 2291 B7R1.20 CN(C)CC1CC1 MCULE-6678267289 [0,2,0,0,0,0|2,0,0]=4 2292 B7R1.20 CN(C)CC1CO1 MCULE-3116266625 [0,2,0,0,0,0|1,0,0]=3 2293 B7R1.20 C[C@@H](O)CC1CC1 MCULE-2616688976 [0,2,0,0,0,0|2,0,0]=4 2294 B7R1.20 C[C@H](O)CC1CC1 MCULE-5001414363 [0,2,0,0,0,0|2,0,0]=4 2295 B7R1.20 N=C(N)CC1CC1 MCULE-6959128379 [0,2,0,0,0,0|2,0,0]=4 2296 B7R1.20 N=C(N)CC1CC1 MCULE-7106217917 [0,2,0,0,0,0|2,0,0]=4 2297 B7R1.20 NC(=O)CC1CC1 MCULE-3835601763 [0,2,0,0,0,0|2,0,0]=4 2298 B7R1.20 NC(=O)CC1CO1 MCULE-9954364706 [0,2,0,0,0,0|1,0,0]=3 2299 B7R1.20 NC(=S)CC1CC1 MCULE-3521862976 [0,2,0,0,0,0|2,0,0]=4 2300 B7R1.20 O=C(Cl)CC1CC1 MCULE-9640878584 [0,2,0,0,0,0|1,0,0]=3 2301 B7R1.20 O=C(Cl)NC1CC1 MCULE-8107862020 [0,2,0,0,0,0|1,0,1]=4 2302 B7R1.20 O=C(Cl)OC1CC1 MCULE-4373365407 [0,2,0,0,0,0|1,0,1]=4 2303 B7R1.20 O=C(O)CC1CC1 MCULE-3026300598 [0,2,0,0,0,0|2,0,0]=4 2304 B7R1.20 O=C(O)CC1CO1 MCULE-5322663834 [0,2,0,0,0,0|1,0,0]=3 2305 B7R1.20 O=C(O)C[C@H]1CO1 MCULE-2418249972 [0,2,0,0,0,0|1,0,0]=3 2306 B7R1.20 O=N(=O)CC1CC1 MCULE-1695328225 [0,2,0,0,0,0|2,0,0]=4 2307 B7R1.20 O=S([O-])CC1CC1 MCULE-5174157846 [0,2,0,0,0,0|2,0,0]=4 2308 B7R1.20 O=S([O-])CC1CC1 MCULE-8367574745 [0,2,0,0,0,0|2,0,0]=4 2309 B7R1.20 OB(O)CC1CC1 MCULE-2775080556 [0,2,0,0,0,0|2,0,0]=4 2310 B7R1.21 C=CCC1(CC1)N MCULE-3459936147 [0,2,0,0,0,0|2,0,0]=4 2311 B7R1.21 C=CCC1(CC1)N MCULE-9778934131 [0,2,0,0,0,0|2,0,0]=4 2312 B7R1.21 CC1(CC1)CCBr MCULE-4700835198 [0,2,0,0,0,0|1,1,0]=4 2313 B7R1.21 CC1(CC1)CCN MCULE-1525421562 [0,2,0,0,0,0|2,0,0]=4 2314 B7R1.21 CC1(CC1)CCN MCULE-2587012619 [0,2,0,0,0,0|2,0,0]=4 2315 B7R1.21 CC1(CC1)CCO MCULE-4173763460 [0,2,0,0,0,0|2,0,0]=4 2316 B7R1.21 CCCC1(CC1)N MCULE-2015286161 [0,2,0,0,0,0|2,0,0]=4 2317 B7R1.21 CCCC1(CC1)N MCULE-9864007655 [0,2,0,0,0,0|2,0,0]=4 2318 B7R1.21 CCNC1(CC1)C MCULE-7289521608 [0,2,0,0,0,0|2,0,0]=4 2319 B7R1.21 CCNC1(CC1)C MCULE-7847765564 [0,2,0,0,0,0|2,0,0]=4 2320 B7R1.21 CCOC1(CC1)Br MCULE-7332246481 [0,2,0,0,0,0|2,0,0]=4 2321 B7R1.21 CCOC1(CC1)N MCULE-7603514903 [0,2,0,0,0,0|2,0,0]=4 2322 B7R1.21 CCOC1(CC1)O MCULE-9629273021 [0,2,0,0,0,0|2,0,0]=4 2323 B7R1.21 CNCC1(CC1)C MCULE-5523822723 [0,2,0,0,0,0|2,0,0]=4 2324 B7R1.21 CNCC1(CC1)O MCULE-3223715599 [0,2,0,0,0,0|2,0,0]=4 2325 B7R1.21 CNCC1(CC1)O MCULE-4292226298 [0,2,0,0,0,0|2,0,0]=4 2326 B7R1.21 COCC1(CC1)N MCULE-1201230014 [0,2,0,0,0,0|2,0,0]=4 2327 B7R1.21 COCC1(CC1)N MCULE-3690729649 [0,2,0,0,0,0|2,0,0]=4 2328 B7R1.21 COCC1(CO1)C MCULE-8694642597 [0,2,0,0,0,0|1,0,0]=3 2329 B7R1.21 N#CCC1(CC1)N MCULE-6913924618 [0,2,0,0,0,0|2,0,0]=4 2330 B7R1.21 NC1(CC1)CCO MCULE-6023170197 [0,2,0,0,0,0|2,0,0]=4 2331 B7R1.21 NC1(CC1)CCO MCULE-6146864546 [0,2,0,0,0,0|2,0,0]=4 2332 B7R1.21 NCCC1(CC1)N MCULE-1950553965 [0,2,0,0,0,0|2,0,0]=4 2333 B7R1.21 NCCC1(CC1)N MCULE-4555905032 [0,2,0,0,0,0|2,0,0]=4 2334 B7R1.21 NCCC1(CC1)O MCULE-7254265215 [0,2,0,0,0,0|2,0,0]=4 2335 B7R1.21 NCCC1(CC1)O MCULE-9873887297 [0,2,0,0,0,0|2,0,0]=4 2336 B7R1.21 OC1(CC1)CCBr MCULE-4785989916 [0,2,0,0,0,0|1,1,0]=4 2337 B7R1.21 OCCC1(CC1)O MCULE-9575986419 [0,2,0,0,0,0|2,0,0]=4 2338 B7R1.22 C#CC(N)C1CC1 MCULE-5601339686 [0,2,0,0,0,0|2,0,0]=4 2339 B7R1.22 C#CC(N)C1CC1 MCULE-6581743000 [0,2,0,0,0,0|2,0,0]=4 2340 B7R1.22 C#CC(O)C1CC1 MCULE-2821595189 [0,2,0,0,0,0|2,0,0]=4 2341 B7R1.22 C1(CO1)C(=O)OC MCULE-1350193594 [0,2,0,0,0,0|1,0,1]=4 2342 B7R1.22 C=CC(O)C1CC1 MCULE-5079761130 [0,2,0,0,0,0|2,0,0]=4 2343 B7R1.22 C=C[C@H](O)[C@H]1CO1 MCULE-8949250499 [0,2,0,0,0,0|1,0,0]=3 2344 B7R1.22 CC(C#N)C1CC1 MCULE-5117863339 [0,2,0,0,0,0|2,0,0]=4 2345 B7R1.22 CC(C=O)C1CC1 MCULE-9307079880 [0,2,0,0,0,0|2,0,0]=4 2346 B7R1.22 CC(CBr)C1CC1 MCULE-6817011252 [0,2,0,0,0,0|1,1,0]=4 2347 B7R1.22 CC(CN)C1CC1 MCULE-8672047249 [0,2,0,0,0,0|2,0,0]=4 2348 B7R1.22 CC(CN)C1CC1 MCULE-9115092780 [0,2,0,0,0,0|2,0,0]=4 2349 B7R1.22 CC(CO)C1CC1 MCULE-8325587009 [0,2,0,0,0,0|2,0,0]=4 2350 B7R1.22 CC(NN)C1CC1 MCULE-4645972246 [0,2,0,0,0,0|2,0,0]=4 2351 B7R1.22 CC(NN)C1CC1 MCULE-5779482348 [0,2,0,0,0,0|2,0,0]=4 2352 B7R1.22 CC(NN)C1CC1 MCULE-8729564000 [0,2,0,0,0,0|2,0,0]=4 2353 B7R1.22 CC(ON)C1CC1 MCULE-7159103218 [0,2,0,0,0,0|2,0,0]=4 2354 B7R1.22 CC(ON)C1CC1 MCULE-9475793465 [0,2,0,0,0,0|2,0,0]=4 2355 B7R1.22 CCC(=O)C1CC1 MCULE-6231785303 [0,2,0,0,0,0|2,0,0]=4 2356 B7R1.22 CCC(N)C1CC1 MCULE-2935155085 [0,2,0,0,0,0|2,0,0]=4 2357 B7R1.22 CCC(N)C1CC1 MCULE-7295156418 [0,2,0,0,0,0|2,0,0]=4 2358 B7R1.22 CCC(O)C1CC1 MCULE-5753196768 [0,2,0,0,0,0|2,0,0]=4 2359 B7R1.22 CC[C@@H](N)C1CC1 MCULE-8184175332 [0,2,0,0,0,0|2,0,0]=4 2360 B7R1.22 CC[C@H](N)C1CC1 MCULE-5395953598 [0,2,0,0,0,0|2,0,0]=4 2361 B7R1.22 CC[C@H](N)C1CC1 MCULE-6843001585 [0,2,0,0,0,0|2,0,0]=4 2362 B7R1.22 CC[C@H](N)C1CC1 MCULE-8773009184 [0,2,0,0,0,0|2,0,0]=4 2363 B7R1.22 CNC(C)C1CC1 MCULE-3862123004 [0,2,0,0,0,0|2,0,0]=4 2364 B7R1.22 CNC(C)C1CC1 MCULE-5338638792 [0,2,0,0,0,0|2,0,0]=4 2365 B7R1.22 COC(=O)C1CO1 MCULE-1745412030 [0,2,0,0,0,0|1,0,1]=4 2366 B7R1.22 COC(=O)[C@@H]1CO1 MCULE-2259836812 [0,2,0,0,0,0|1,0,1]=4 2367 B7R1.22 COC(=O)[C@H]1CO1 MCULE-5568309714 [0,2,0,0,0,0|1,0,1]=4 2368 B7R1.22 COC(=O)[C@H]1CO1 MCULE-9432053348 [0,2,0,0,0,0|1,0,1]=4 2369 B7R1.22 ClCC(Cl)C1CO1 MCULE-4739045871 [0,2,0,0,0,0|0,0,0]=2 2370 B7R1.22 N#CC(Br)C1CC1 MCULE-5789387356 [0,2,0,0,0,0|1,1,0]=4 2371 B7R1.22 N#CC(N)C1CC1 MCULE-4442457605 [0,2,0,0,0,0|2,0,0]=4 2372 B7R1.22 N#CC(N)C1CC1 MCULE-7666876984 [0,2,0,0,0,0|2,0,0]=4 2373 B7R1.22 N#CC(O)C1CC1 MCULE-8814691593 [0,2,0,0,0,0|2,0,0]=4 2374 B7R1.22 NC(CO)C1CC1 MCULE-5154854421 [0,2,0,0,0,0|2,0,0]=4 2375 B7R1.22 NC(CO)C1CC1 MCULE-8775546228 [0,2,0,0,0,0|2,0,0]=4 2376 B7R1.22 NCC(=O)C1CC1 MCULE-1927654168 [0,2,0,0,0,0|2,0,0]=4 2377 B7R1.22 NCC(=O)C1CC1 MCULE-4415662894 [0,2,0,0,0,0|2,0,0]=4 2378 B7R1.22 NCC(N)C1CC1 MCULE-9464810605 [0,2,0,0,0,0|2,0,0]=4 2379 B7R1.22 NCC(O)C1CC1 MCULE-4953920778 [0,2,0,0,0,0|2,0,0]=4 2380 B7R1.22 NCC(O)C1CC1 MCULE-5905916662 [0,2,0,0,0,0|2,0,0]=4 2381 B7R1.22 NC[C@@H](N)C1CC1 MCULE-3450570705 [0,2,0,0,0,0|2,0,0]=4 2382 B7R1.22 NC[C@@H](N)C1CC1 MCULE-4753758413 [0,2,0,0,0,0|2,0,0]=4 2383 B7R1.22 NC[C@@H](N)C1CC1 MCULE-4823446729 [0,2,0,0,0,0|2,0,0]=4 2384 B7R1.22 NC[C@@H](N)C1CC1 MCULE-7123860849 [0,2,0,0,0,0|2,0,0]=4 2385 B7R1.22 N[C@@H](CO)C1CC1 MCULE-5231249344 [0,2,0,0,0,0|2,0,0]=4 2386 B7R1.22 N[C@@H](CO)C1CC1 MCULE-5233980282 [0,2,0,0,0,0|2,0,0]=4 2387 B7R1.22 N[C@@H](CO)C1CC1 MCULE-9664157108 [0,2,0,0,0,0|2,0,0]=4 2388 B7R1.22 N[C@@H](CO)C1CC1 MCULE-9941605288 [0,2,0,0,0,0|2,0,0]=4 2389 B7R1.22 N[C@H](CO)C1CC1 MCULE-3523450080 [0,2,0,0,0,0|2,0,0]=4 2390 B7R1.22 N[C@H](CO)C1CC1 MCULE-6097147899 [0,2,0,0,0,0|2,0,0]=4 2391 B7R1.22 N[C@H](CO)C1CC1 MCULE-9050007019 [0,2,0,0,0,0|2,0,0]=4 2392 B7R1.22 N[C@H](CO)C1CC1 MCULE-9945100855 [0,2,0,0,0,0|2,0,0]=4 2393 B7R1.22 O=C(CBr)C1CC1 MCULE-1037373080 [0,2,0,0,0,0|1,1,0]=4 2394 B7R1.22 O=C(CCl)C1CC1 MCULE-9791345328 [0,2,0,0,0,0|1,0,0]=3 2395 B7R1.22 O=C(CCl)N1CC1 MCULE-3092013537 [0,2,0,0,0,0|2,0,0]=4 2396 B7R1.22 O=C(CO)C1CC1 MCULE-4276266642 [0,2,0,0,0,0|2,0,0]=4 2397 B7R1.22 OC(CBr)C1CC1 MCULE-1163924206 [0,2,0,0,0,0|1,1,0]=4 2398 B7R1.22 OCC(O)C1CC1 MCULE-9694056700 [0,2,0,0,0,0|2,0,0]=4 2399 B7R1.22 [C@H]1(CO1)C(=O)OC MCULE-2114123664 [0,2,0,0,0,0|1,0,1]=4 2400 B7R1.19 CC(=O)C1(CO1)C MCULE-3263824467 [0,2,0,0,0,0|1,0,1]=4 2401 B7R1.19 CC(C)C1(CC1)N MCULE-4070811283 [0,2,0,0,0,0|2,0,0]=4 2402 B7R1.19 CC(C)C1(CC1)N MCULE-8353733005 [0,2,0,0,0,0|2,0,0]=4 2403 B7R1.19 CC(C)C1(CC1)O MCULE-3516849541 [0,2,0,0,0,0|2,0,0]=4 2404 B7R1.19 CC(C)C1(CO1)C MCULE-6945955143 [0,2,0,0,0,0|1,0,0]=3 2405 B7R1.19 CC(N)C1(CC1)C MCULE-5748183771 [0,2,0,0,0,0|2,0,0]=4 2406 B7R1.19 CC(N)C1(CC1)C MCULE-5829560197 [0,2,0,0,0,0|2,0,0]=4 2407 B7R1.19 CC(N)C1(CC1)O MCULE-9318031577 [0,2,0,0,0,0|2,0,0]=4 2408 B7R1.19 CC(O)C1(CC1)C MCULE-6644959738 [0,2,0,0,0,0|2,0,0]=4 2409 B7R1.19 CC(O)C1(CC1)N MCULE-7865299177 [0,2,0,0,0,0|2,0,0]=4 2410 B7R1.19 CC1(CC1)C(=O)Cl MCULE-6881294103 [0,2,0,0,0,0|1,0,1]=4 2411 B7R1.19 CC1(CO1)C(=O)O MCULE-9344660544 [0,2,0,0,0,0|1,0,1]=4 2412 B7R1.19 CC1(CO1)C(F)F MCULE-3665337434 [0,2,0,0,0,0|0,1,0]=3 2413 B7R1.19 NC1(CC1)C(=O)Cl MCULE-1901749245 [0,2,0,0,0,0|1,0,1]=4 2414 B7R1.19 NC1(CC1)C(=O)Cl MCULE-4354269723 [0,2,0,0,0,0|1,0,1]=4 2415 B7R1.19 NC1(CC1)C(F)F MCULE-3563388458 [0,2,0,0,0,0|1,1,0]=4 2416 B7R1.19 NC1(CC1)C(F)F MCULE-3701462806 [0,2,0,0,0,0|1,1,0]=4 2417 B7R1.27 CC1(CC1Br)CN MCULE-1556714007 [0,2,0,0,0,0|2,0,0]=4 2418 B7R1.27 CC1(CC1Br)CN MCULE-5280385523 [0,2,0,0,0,0|2,0,0]=4 2419 B7R1.27 CC1(CC1Br)CO MCULE-5286402958 [0,2,0,0,0,0|2,0,0]=4 2420 B7R1.27 CC1(CC1F)CO MCULE-9626513813 [0,2,0,0,0,0|2,0,0]=4 2421 B7R1.27 CCC1(CC1N)C MCULE-2073505141 [0,2,0,0,0,0|2,0,0]=4 2422 B7R1.27 CCC1(CC1N)C MCULE-3927183672 [0,2,0,0,0,0|2,0,0]=4 2423 B7R1.29 BrCC1(CC1)CBr MCULE-9302900736 [0,2,0,0,0,0|1,1,0]=4 2424 B7R1.29 C#CC1(CC1)CC MCULE-9188616430 [0,2,0,0,0,0|2,0,0]=4 2425 B7R1.29 C#CC1(CC1)CN MCULE-1553453727 [0,2,0,0,0,0|2,0,0]=4 2426 B7R1.29 C#CC1(CC1)CN MCULE-5521372359 [0,2,0,0,0,0|2,0,0]=4 2427 B7R1.29 C#CC1(CC1)CO MCULE-3782455933 [0,2,0,0,0,0|2,0,0]=4 2428 B7R1.29 CCC1(CC1)C=O MCULE-9240015002 [0,2,0,0,0,0|2,0,0]=4 2429 B7R1.29 CCC1(CC1)CN MCULE-8933224772 [0,2,0,0,0,0|2,0,0]=4 2430 B7R1.29 CCC1(CC1)CN MCULE-9807366848 [0,2,0,0,0,0|2,0,0]=4 2431 B7R1.29 CCC1(CC1)CO MCULE-9504231451 [0,2,0,0,0,0|2,0,0]=4 2432 B7R1.29 CCC1(CO1)CC MCULE-2752448684 [0,2,0,0,0,0|1,0,0]=3 2433 B7R1.29 CCC1(CO1)CCl MCULE-4256565008 [0,2,0,0,0,0|0,0,0]=2 2434 B7R1.29 CNC1(CC1)CO MCULE-4219156771 [0,2,0,0,0,0|2,0,0]=4 2435 B7R1.29 CNC1(CC1)CO MCULE-5369462554 [0,2,0,0,0,0|2,0,0]=4 2436 B7R1.29 COC1(CC1)CBr MCULE-1871702494 [0,2,0,0,0,0|1,1,0]=4 2437 B7R1.29 COC1(CC1)CN MCULE-6599214469 [0,2,0,0,0,0|2,0,0]=4 2438 B7R1.29 COC1(CC1)CN MCULE-9855004613 [0,2,0,0,0,0|2,0,0]=4 2439 B7R1.29 COC1(CC1)CO MCULE-7482266883 [0,2,0,0,0,0|2,0,0]=4 2440 B7R1.29 CSC1(CC1)CN MCULE-3914494738 [0,2,0,0,0,0|2,0,0]=4 2441 B7R1.29 CSC1(CC1)CO MCULE-4468826717 [0,2,0,0,0,0|2,0,0]=4 2442 B7R1.29 ClCC1(CC1)CCl MCULE-3473173966 [0,2,0,0,0,0|1,0,0]=3 2443 B7R1.29 ICC1(CC1)CI MCULE-8238730600 [0,2,0,0,0,0|1,1,0]=4 2444 B7R1.29 N#CC1(CC1)CBr MCULE-7346163902 [0,2,0,0,0,0|1,1,0]=4 2445 B7R1.29 N#CC1(CC1)CCl MCULE-5054375772 [0,2,0,0,0,0|1,0,0]=3 2446 B7R1.29 N#CC1(CC1)CF MCULE-4765616602 [0,2,0,0,0,0|1,1,0]=4 2447 B7R1.29 N#CC1(CC1)CN MCULE-4380201316 [0,2,0,0,0,0|2,0,0]=4 2448 B7R1.29 N#CC1(CC1)CN MCULE-4457337204 [0,2,0,0,0,0|2,0,0]=4 2449 B7R1.29 N#CC1(CC1)CO MCULE-4061593735 [0,2,0,0,0,0|2,0,0]=4 2450 B7R1.29 NCC1(CC1)CBr MCULE-2017861349 [0,2,0,0,0,0|1,1,0]=4 2451 B7R1.29 NCC1(CC1)CBr MCULE-6241335370 [0,2,0,0,0,0|1,1,0]=4 2452 B7R1.29 NCC1(CC1)CN MCULE-4214498869 [0,2,0,0,0,0|2,0,0]=4 2453 B7R1.29 NCC1(CC1)CN MCULE-8299727221 [0,2,0,0,0,0|2,0,0]=4 2454 B7R1.29 NCC1(CC1)CO MCULE-1328630482 [0,2,0,0,0,0|2,0,0]=4 2455 B7R1.29 NCC1(CC1)CO MCULE-3970508474 [0,2,0,0,0,0|2,0,0]=4 2456 B7R1.29 O=CC1(CC1)CF MCULE-6887466124 [0,2,0,0,0,0|1,1,0]=4 2457 B7R1.29 OCC1(CC1)CF MCULE-1670499766 [0,2,0,0,0,0|1,1,0]=4 2458 B7R1.29 OCC1(CC1)CO MCULE-9312932144 [0,2,0,0,0,0|2,0,0]=4 2459 B7R1.9 C#CC1CC1CO MCULE-9506693915 [0,2,0,0,0,0|2,0,0]=4 2460 B7R1.9 C#C[C@H]1C[C@H]1CO MCULE-5176741676 [0,2,0,0,0,0|2,0,0]=4 2461 B7R1.9 CCC1CC1CN MCULE-6264158284 [0,2,0,0,0,0|2,0,0]=4 2462 B7R1.9 CCC1CC1CN MCULE-7047201371 [0,2,0,0,0,0|2,0,0]=4 2463 B7R1.9 CCC1CC1CO MCULE-3342087238 [0,2,0,0,0,0|2,0,0]=4 2464 B7R1.9 N#CC1CC1CO MCULE-7679796035 [0,2,0,0,0,0|2,0,0]=4 2465 B7R1.9 NCC1CC1CN MCULE-2708697512 [0,2,0,0,0,0|2,0,0]=4 2466 B7R1.9 NCC1CC1CN MCULE-8017169356 [0,2,0,0,0,0|2,0,0]=4 2467 B7R1.9 NCC1CC1CO MCULE-2679526126 [0,2,0,0,0,0|2,0,0]=4 2468 B7R1.9 NC[C@@H]1C[C@H]1CN MCULE-1460900772 [0,2,0,0,0,0|2,0,0]=4 2469 B7R1.9 NC[C@@H]1C[C@H]1CN MCULE-5609779965 [0,2,0,0,0,0|2,0,0]=4 2470 B7R1.9 NC[C@H]1C[C@@H]1CO MCULE-4100547975 [0,2,0,0,0,0|2,0,0]=4 2471 B7R1.9 NC[C@H]1C[C@H]1CN MCULE-4880621233 [0,2,0,0,0,0|2,0,0]=4 2472 B7R1.9 NC[C@H]1C[C@H]1CN MCULE-9980954134 [0,2,0,0,0,0|2,0,0]=4 2473 B7R1.9 NC[C@H]1C[C@H]1CO MCULE-4756509186 [0,2,0,0,0,0|2,0,0]=4 2474 B7R1.9 OCC1CC1CO MCULE-5153064657 [0,2,0,0,0,0|2,0,0]=4 2475 B7R1.9 OC[C@H]1C[C@H]1CO MCULE-9036138013 [0,2,0,0,0,0|2,0,0]=4 2476 B7R1.12 CC(C)[C@@H]1C[C@H]1N MCULE-1713655941 [0,2,0,0,0,0|2,0,0]=4 2477 B7R1.12 CC(C)[C@@H]1C[C@H]1N MCULE-5926317826 [0,2,0,0,0,0|2,0,0]=4 2478 B7R1.12 CC1CC1C(=O)Cl MCULE-7645594952 [0,2,0,0,0,0|1,0,1]=4 2479 B7R1.23 CC1(CC1CN)C MCULE-5243006209 [0,2,0,0,0,0|2,0,0]=4 2480 B7R1.23 CC1(CC1CN)C MCULE-8803769775 [0,2,0,0,0,0|2,0,0]=4 2481 B7R1.23 CC1(CC1CO)Br MCULE-1246890004 [0,2,0,0,0,0|2,0,0]=4 2482 B7R1.23 CC1(CC1CO)C MCULE-3855230422 [0,2,0,0,0,0|2,0,0]=4 2483 B7R1.23 CC1(C[C@@H]1CO)C MCULE-2771980454 [0,2,0,0,0,0|2,0,0]=4 2484 B7R1.23 CC1(C[C@H]1CO)C MCULE-7876524457 [0,2,0,0,0,0|2,0,0]=4 2485 B7R1.23 CC1(OC1CBr)C MCULE-1797899499 [0,2,0,0,0,0|0,1,0]=3 2486 B7R1.23 CC1(OC1CCl)C MCULE-6494110934 [0,2,0,0,0,0|0,0,0]=2 2487 B7R1.23 CC1(OC1CO)C MCULE-5147602353 [0,2,0,0,0,0|1,0,0]=3 2488 B7R1.23 ClC1(CC1CBr)Cl MCULE-8574711580 [0,2,0,0,0,0|1,1,0]=4 2489 B7R1.23 ClCC1CC1(Br)Br MCULE-4715049686 [0,2,0,0,0,0|1,0,0]=3 2490 B7R1.23 FC1(CC1CBr)F MCULE-4614238414 [0,2,0,0,0,0|1,1,0]=4 2491 B7R1.23 FC1(CC1CI)F MCULE-6831391409 [0,2,0,0,0,0|1,1,0]=4 2492 B7R1.23 NCC1CC1(Cl)Cl MCULE-3583002968 [0,2,0,0,0,0|2,0,0]=4 2493 B7R1.23 NCC1CC1(F)F MCULE-5584732605 [0,2,0,0,0,0|2,0,0]=4 2494 B7R1.23 NCC1CC1(F)F MCULE-7869570128 [0,2,0,0,0,0|2,0,0]=4 2495 B7R1.23 NC[C@@H]1CC1(F)F MCULE-8778883535 [0,2,0,0,0,0|2,0,0]=4 2496 B7R1.23 NC[C@H]1CC1(F)F MCULE-3072221768 [0,2,0,0,0,0|2,0,0]=4 2497 B7R1.23 OCC1CC1(Br)Br MCULE-7089012177 [0,2,0,0,0,0|2,0,0]=4 2498 B7R1.23 OCC1CC1(Cl)Cl MCULE-7270696266 [0,2,0,0,0,0|2,0,0]=4 2499 B7R1.23 OCC1CC1(F)F MCULE-7947011827 [0,2,0,0,0,0|2,0,0]=4 2500 B7R1.23 OCC1CC1(F)F MCULE-8758794887 [0,2,0,0,0,0|2,0,0]=4 2501 B7R1.23 OC[C@@H]1CC1(F)F MCULE-7341169417 [0,2,0,0,0,0|2,0,0]=4 2502 B7R1.23 OC[C@@H]1CC1(F)F MCULE-8085476948 [0,2,0,0,0,0|2,0,0]=4 2503 B7R1.23 OC[C@H]1CC1(F)F MCULE-4517768682 [0,2,0,0,0,0|2,0,0]=4 2504 B7R1.23 OC[C@H]1CC1(F)F MCULE-7100712334 [0,2,0,0,0,0|2,0,0]=4 2505 B7R1.26 CC(C)(C)C1CO1 MCULE-7365554350 [0,2,0,0,0,0|1,0,0]=3 2506 B7R1.26 CC(C)(N)C1CC1 MCULE-1426293730 [0,2,0,0,0,0|2,0,0]=4 2507 B7R1.26 CC(C)(N)C1CC1 MCULE-1800665492 [0,2,0,0,0,0|2,0,0]=4 2508 B7R1.26 CC(C)(O)C1CC1 MCULE-8228565189 [0,2,0,0,0,0|2,0,0]=4 2509 B7R1.26 CC(C)(O)C1CO1 MCULE-7074440148 [0,2,0,0,0,0|1,0,0]=3 2510 B7R1.26 FC(F)(F)C1CO1 MCULE-3751889184 [0,2,0,0,0,0|0,1,0]=3 2511 B7R1.26 FC(F)(F)C1CO1 MCULE-9325863706 [0,2,0,0,0,0|0,1,0]=3 2512 B7R1.26 FC(F)(F)[C@@H]1CO1 MCULE-3124282848 [0,2,0,0,0,0|0,1,0]=3 2513 B7R1.26 FC(F)(F)[C@@H]1CO1 MCULE-9668310795 [0,2,0,0,0,0|0,1,0]=3 2514 B7R1.26 FC(F)(F)[C@H]1CO1 MCULE-3951894143 [0,2,0,0,0,0|0,1,0]=3 2515 B7R1.26 FC(F)(F)[C@H]1CO1 MCULE-8887189008 [0,2,0,0,0,0|0,1,0]=3 2516 B7R1.26 O=S(=O)(Cl)C1CC1 MCULE-3373223509 [0,2,0,0,0,0|2,0,0]=4 2517 B5R1.2 BrC1CCC1 MCULE-3713567804 [0,0,1,1,0,0|2,0,0]=4 2518 B5R1.2 BrC1CNC1 MCULE-4959282437 [0,0,1,1,0,0|2,0,0]=4 2519 B5R1.2 BrC1CNC1 MCULE-5635086924 [0,0,1,1,0,0|2,0,0]=4 2520 B5R1.2 BrC1CNC1 MCULE-7561312043 [0,0,1,1,0,0|2,0,0]=4 2521 B5R1.2 BrC1COC1 MCULE-7527620035 [0,0,1,1,0,0|2,0,0]=4 2522 B5R1.2 CC1CCN1 MCULE-7952714343 [0,0,1,1,0,0|2,0,0]=4 2523 B5R1.2 CC1CCN1 MCULE-9084374728 [0,0,1,1,0,0|2,0,0]=4 2524 B5R1.2 CC1CNC1 MCULE-3977066574 [0,0,1,1,0,0|2,0,0]=4 2525 B5R1.2 CC1CNC1 MCULE-7868611457 [0,0,1,1,0,0|2,0,0]=4 2526 B5R1.2 C[C@@H]1CCN1 MCULE-1326888606 [0,0,1,1,0,0|2,0,0]=4 2527 B5R1.2 C[C@@H]1CCN1 MCULE-4242598105 [0,0,1,1,0,0|2,0,0]=4 2528 B5R1.2 C[C@@H]1CCN1 MCULE-7982357684 [0,0,1,1,0,0|2,0,0]=4 2529 B5R1.2 C[C@@H]1CCN1 MCULE-9443505478 [0,0,1,1,0,0|2,0,0]=4 2530 B5R1.2 C[C@H]1CCN1 MCULE-3178162849 [0,0,1,1,0,0|2,0,0]=4 2531 B5R1.2 C[C@H]1CCN1 MCULE-4001397038 [0,0,1,1,0,0|2,0,0]=4 2532 B5R1.2 C[C@H]1CCN1 MCULE-4361200248 [0,0,1,1,0,0|2,0,0]=4 2533 B5R1.2 C[C@H]1CCN1 MCULE-6534579029 [0,0,1,1,0,0|2,0,0]=4 2534 B5R1.2 ClC1CCC1 MCULE-2602937313 [0,0,1,1,0,0|2,0,0]=4 2535 B5R1.2 ClC1CNC1 MCULE-2051705029 [0,0,1,1,0,0|2,0,0]=4 2536 B5R1.2 ClC1CNC1 MCULE-6678325694 [0,0,1,1,0,0|2,0,0]=4 2537 B5R1.2 ClC1COC1 MCULE-7266812470 [0,0,1,1,0,0|2,0,0]=4 2538 B5R1.2 FC1CNC1 MCULE-5746598794 [0,0,1,1,0,0|2,0,0]=4 2539 B5R1.2 FC1CNC1 MCULE-9427948721 [0,0,1,1,0,0|2,0,0]=4 2540 B5R1.2 FC1COC1 MCULE-7899811313 [0,0,1,1,0,0|2,0,0]=4 2541 B5R1.2 IC1CCC1 MCULE-3890796264 [0,0,1,1,0,0|2,0,0]=4 2542 B5R1.2 IC1CNC1 MCULE-5957681014 [0,0,1,1,0,0|2,0,0]=4 2543 B5R1.2 IC1CNC1 MCULE-7396587981 [0,0,1,1,0,0|2,0,0]=4 2544 B5R1.2 IC1COC1 MCULE-6736781201 [0,0,1,1,0,0|2,0,0]=4 2545 B5R1.2 NC1CCC1 MCULE-7511834789 [0,0,1,1,0,0|2,0,0]=4 2546 B5R1.2 NC1CCC1 MCULE-9118406840 [0,0,1,1,0,0|2,0,0]=4 2547 B5R1.2 NC1CNC1 MCULE-3069271350 [0,0,1,1,0,0|2,0,0]=4 2548 B5R1.2 NC1CNC1 MCULE-4785323807 [0,0,1,1,0,0|2,0,0]=4 2549 B5R1.2 NC1COC1 MCULE-3457998413 [0,0,1,1,0,0|2,0,0]=4 2550 B5R1.2 NC1COC1 MCULE-8439862131 [0,0,1,1,0,0|2,0,0]=4 2551 B5R1.2 NC1CSC1 MCULE-8155396913 [0,0,1,1,0,0|2,0,0]=4 2552 B5R1.2 NC1CSC1 MCULE-8463545676 [0,0,1,1,0,0|2,0,0]=4 2553 B5R1.2 NC1CSC1 MCULE-8920812656 [0,0,1,1,0,0|2,0,0]=4 2554 B5R1.2 OC1CCC1 MCULE-2856311430 [0,0,1,1,0,0|1,0,0]=3 2555 B5R1.2 OC1CNC1 MCULE-3596383447 [0,0,1,1,0,0|1,0,0]=3 2556 B5R1.2 OC1CNC1 MCULE-7913518128 [0,0,1,1,0,0|1,0,0]=3 2557 B5R1.2 OC1COC1 MCULE-2630355859 [0,0,1,1,0,0|1,0,0]=3 2558 B5R1.2 OC1CSC1 MCULE-6759275460 [0,0,1,1,0,0|1,0,0]=3 2559 B5R1.2 SC1CCC1 MCULE-1779239394 [0,0,1,1,0,0|1,1,0]=4 2560 B5R1.2 SC1CNC1 MCULE-5823473779 [0,0,1,1,0,0|1,1,0]=4 2561 B5R1.2 SC1CNC1 MCULE-9002536698 [0,0,1,1,0,0|1,1,0]=4 2562 B5R1.2 SC1COC1 MCULE-2175099379 [0,0,1,1,0,0|1,1,0]=4 2563 B5R1.1 B1CCOO1 MCULE-4859234466 [0,0,1,1,0,0|2,0,0]=4 2564 B5R1.1 C1=CCCC1 MCULE-8785635218 [0,0,1,1,0,0|2,0,0]=4 2565 B5R1.1 C1=CCOC1 MCULE-1252378718 [0,0,1,1,0,0|1,0,1]=4 2566 B5R1.1 C1=COCC1 MCULE-7714726225 [0,0,1,1,0,0|1,0,1]=4 2567 B5R1.1 C1CCNC1 MCULE-2816679267 [0,0,1,1,0,0|2,0,0]=4 2568 B5R1.1 C1CCNC1 MCULE-8439725600 [0,0,1,1,0,0|2,0,0]=4 2569 B5R1.1 C1CCNC1 MCULE-8653165010 [0,0,1,1,0,0|2,0,0]=4 2570 B5R1.1 C1CCNC1 MCULE-9053007443 [0,0,1,1,0,0|2,0,0]=4 2571 B5R1.1 C1CCOC1 MCULE-3873245085 [0,0,1,1,0,0|1,0,0]=3 2572 B5R1.1 C1CCSC1 MCULE-4519380555 [0,0,1,1,0,0|1,1,0]=4 2573 B5R1.1 C1CNCN1 MCULE-6666768806 [0,0,1,1,0,0|2,0,0]=4 2574 B5R1.1 C1CNNC1 MCULE-9192384720 [0,0,1,1,0,0|2,0,0]=4 2575 B5R1.1 C1CNNC1 MCULE-9418244562 [0,0,1,1,0,0|2,0,0]=4 2576 B5R1.1 C1CNOC1 MCULE-3922840312 [0,0,1,1,0,0|1,0,0]=3 2577 B5R1.1 C1CNOC1 MCULE-6084499894 [0,0,1,1,0,0|1,0,0]=3 2578 B5R1.1 C1COCN1 MCULE-4693733872 [0,0,1,1,0,0|1,0,0]=3 2579 B5R1.1 C1COCO1 MCULE-3967810235 [0,0,1,1,0,0|1,0,0]=3 2580 B5R1.1 C1CSCN1 MCULE-1445529876 [0,0,1,1,0,0|1,1,0]=4 2581 B5R1.1 C1CSCN1 MCULE-8646299838 [0,0,1,1,0,0|1,1,0]=4 2582 B5R1.1 C1CSCS1 MCULE-2954642463 [0,0,1,1,0,0|1,1,0]=4 2583 B7R2.11 C1CC2CC1N2 MCULE-6529016485 [0,0,0,1,0,1|2,0,0]=4 2584 B7R2.11 C1CC2CC1N2 MCULE-7997985442 [0,0,0,1,0,1|2,0,0]=4 2585 B7R2.11 C1NC2CC1C2 MCULE-3826765557 [0,0,0,1,0,1|2,0,0]=4 2586 B7R2.11 C1NC2CC1C2 MCULE-4168683722 [0,0,0,1,0,1|2,0,0]=4 2587 B7R2.16 C1CC12CNC2 MCULE-1662267844 [0,0,0,1,0,1|2,0,0]=4 2588 B7R2.16 C1CC12CNC2 MCULE-4114455551 [0,0,0,1,0,1|2,0,0]=4 2589 B7R2.16 C1CC12CNC2 MCULE-4499246227 [0,0,0,1,0,1|2,0,0]=4 2590 B7R2.16 C1CC12CNC2 MCULE-7427814071 [0,0,0,1,0,1|2,0,0]=4 2591 B7R2.16 C1CC2(C1)CO2 MCULE-6375096145 [0,0,0,1,0,1|2,0,0]=4 2592 B7R2.16 C1CC2(N1)CC2 MCULE-7587259458 [0,0,0,1,0,1|2,0,0]=4 2593 B7R2.16 C1CC2(N1)CC2 MCULE-8557810491 [0,0,0,1,0,1|2,0,0]=4 2594 B7R2.16 C1OCC12CO2 MCULE-4629544610 [0,0,0,1,0,1|1,0,0]=3 2595 B7R2.1 C1CC1C2CO2 MCULE-9859676878 [0,1,0,1,0,0|1,0,0]=3 2596 B7R2.1 C1O[C@@H]1[C@@H]2CO2 MCULE-3158496673 [0,1,0,1,0,0|1,0,0]=3 2597 B7R2.1 C1O[C@@H]1[C@@H]2CO2 MCULE-4139336692 [0,1,0,1,0,0|1,0,0]=3 2598 B7R2.3 BrC1CC12CC2 MCULE-6919212225 [0,1,0,1,0,0|1,1,0]=4 2599 B7R2.3 NC1CC12CC2 MCULE-4664631556 [0,1,0,1,0,0|2,0,0]=4 2600 B7R2.3 NC1CC12CC2 MCULE-7886006711 [0,1,0,1,0,0|2,0,0]=4 2601 B7R2.13 C1=CC2OC2C1 MCULE-9601635666 [0,1,0,1,0,0|1,0,0]=3 2602 B7R2.13 C1CC2CC2C1 MCULE-4998824123 [0,1,0,1,0,0|2,0,0]=4 2603 B7R2.13 C1CC2CC2N1 MCULE-5625544754 [0,1,0,1,0,0|2,0,0]=4 2604 B7R2.13 C1CC2CC2N1 MCULE-6822939101 [0,1,0,1,0,0|2,0,0]=4 2605 B7R2.13 C1CC2NC2C1 MCULE-4807869634 [0,1,0,1,0,0|2,0,0]=4 2606 B7R2.13 C1CC2OC2C1 MCULE-9831160642 [0,1,0,1,0,0|1,0,0]=3 2607 B7R2.13 C1NCC2C1C2 MCULE-5688427614 [0,1,0,1,0,0|2,0,0]=4 2608 B7R2.13 C1NCC2C1C2 MCULE-7833686848 [0,1,0,1,0,0|2,0,0]=4 2609 B7R2.13 C1NCC2C1O2 MCULE-2427865207 [0,1,0,1,0,0|1,0,0]=3 2610 B7R2.13 C1NCC2C1O2 MCULE-9737269595 [0,1,0,1,0,0|1,0,0]=3 2611 B7R2.13 C1NC[C@H]2[C@@H]1C2 MCULE-2763696860 [0,1,0,1,0,0|2,0,0]=4 2612 B7R2.13 C1OCC2C1O2 MCULE-5569274990 [0,1,0,1,0,0|1,0,0]=3 2613 B7R1.1 BrCC1C=CCC1 MCULE-4270104932 [0,0,0,0,0,2|1,1,0]=4 2614 B7R1.1 BrCC1CC=CC1 MCULE-8694814510 [0,0,0,0,0,2|1,1,0]=4 2615 B7R1.1 BrCC1CCCC1 MCULE-2472505847 [0,0,0,0,0,2|1,1,0]=4 2616 B7R1.1 BrCC1CCCN1 MCULE-2152950124 [0,0,0,0,0,2|1,1,0]=4 2617 B7R1.1 BrCC1CCCN1 MCULE-6083580584 [0,0,0,0,0,2|1,1,0]=4 2618 B7R1.1 BrCC1CCCN1 MCULE-8116807965 [0,0,0,0,0,2|1,1,0]=4 2619 B7R1.1 BrCC1CCCO1 MCULE-6801721633 [0,0,0,0,0,2|0,1,0]=3 2620 B7R1.1 BrCC1CCNC1 MCULE-3841325509 [0,0,0,0,0,2|1,1,0]=4 2621 B7R1.1 BrCC1CCNC1 MCULE-4302321173 [0,0,0,0,0,2|1,1,0]=4 2622 B7R1.1 BrCC1CCNC1 MCULE-7802125485 [0,0,0,0,0,2|1,1,0]=4 2623 B7R1.1 BrCC1CCOC1 MCULE-5109533414 [0,0,0,0,0,2|0,1,0]=3 2624 B7R1.1 BrCC1OCCO1 MCULE-4843503125 [0,0,0,0,0,2|0,1,0]=3 2625 B7R1.1 BrC[C@@H]1CCCN1 MCULE-2609238545 [0,0,0,0,0,2|1,1,0]=4 2626 B7R1.1 BrC[C@@H]1CCCN1 MCULE-4300877722 [0,0,0,0,0,2|1,1,0]=4 2627 B7R1.1 BrC[C@@H]1CCCN1 MCULE-7501559292 [0,0,0,0,0,2|1,1,0]=4 2628 B7R1.1 BrC[C@@H]1CCCN1 MCULE-9528927495 [0,0,0,0,0,2|1,1,0]=4 2629 B7R1.1 BrC[C@H]1CCCO1 MCULE-3468061610 [0,0,0,0,0,2|0,1,0]=3 2630 B7R1.1 BrC[C@H]1CCCO1 MCULE-9305844681 [0,0,0,0,0,2|0,1,0]=3 2631 B7R1.1 BrC[C@H]1CCOC1 MCULE-3326059942 [0,0,0,0,0,2|0,1,0]=3 2632 B7R1.1 C#CC1CCCO1 MCULE-5501627253 [0,0,0,0,0,2|1,0,1]=4 2633 B7R1.1 C#CC1CCOC1 MCULE-6007232344 [0,0,0,0,0,2|1,0,1]=4 2634 B7R1.1 C1(CCCN1)CF MCULE-2705678622 [0,0,0,0,0,2|1,1,0]=4 2635 B7R1.1 C1(CCCN1)CF MCULE-3175080744 [0,0,0,0,0,2|1,1,0]=4 2636 B7R1.1 C1(CCCN1)CN MCULE-3568349121 [0,0,0,0,0,2|2,0,0]=4 2637 B7R1.1 C1(CCCN1)CN MCULE-9944820727 [0,0,0,0,0,2|2,0,0]=4 2638 B7R1.1 C1(CCCN1)CO MCULE-7277085817 [0,0,0,0,0,2|2,0,0]=4 2639 B7R1.1 C1(CCNC1)CC MCULE-1733412139 [0,0,0,0,0,2|2,0,0]=4 2640 B7R1.1 C1(CCNC1)CC MCULE-9295480110 [0,0,0,0,0,2|2,0,0]=4 2641 B7R1.1 C1(CCNC1)CO MCULE-7897000858 [0,0,0,0,0,2|2,0,0]=4 2642 B7R1.1 C1(CCNC1)CO MCULE-9939548436 [0,0,0,0,0,2|2,0,0]=4 2643 B7R1.1 C1(CCOC1)CN MCULE-1674920995 [0,0,0,0,0,2|1,0,0]=3 2644 B7R1.1 C1(CCOC1)CN MCULE-9715233219 [0,0,0,0,0,2|1,0,0]=3 2645 B7R1.1 C1(CCOC1)CO MCULE-2350780678 [0,0,0,0,0,2|1,0,0]=3 2646 B7R1.1 C1(CCOC1)NC MCULE-8636753374 [0,0,0,0,0,2|2,0,0]=4 2647 B7R1.1 CCC1=NCCO1 MCULE-3838550511 [0,0,0,0,0,2|1,0,1]=4 2648 B7R1.1 CCC1C=CCN1 MCULE-4549893906 [0,0,0,0,0,2|2,0,0]=4 2649 B7R1.1 CCC1C=CCN1 MCULE-7209552603 [0,0,0,0,0,2|2,0,0]=4 2650 B7R1.1 CCC1CCCC1 MCULE-1974854934 [0,0,0,0,0,2|2,0,0]=4 2651 B7R1.1 CCC1CCCN1 MCULE-1775351089 [0,0,0,0,0,2|2,0,0]=4 2652 B7R1.1 CCC1CCCN1 MCULE-2065682250 [0,0,0,0,0,2|2,0,0]=4 2653 B7R1.1 CCC1CCCN1 MCULE-8326168982 [0,0,0,0,0,2|2,0,0]=4 2654 B7R1.1 CCC1CCCN1 MCULE-9831560442 [0,0,0,0,0,2|2,0,0]=4 2655 B7R1.1 CCC1CCNC1 MCULE-1558031098 [0,0,0,0,0,2|2,0,0]=4 2656 B7R1.1 CCC1CCNC1 MCULE-1877930466 [0,0,0,0,0,2|2,0,0]=4 2657 B7R1.1 CCC1OCCO1 MCULE-3434568584 [0,0,0,0,0,2|1,0,0]=3 2658 B7R1.1 CC[C@@H]1CCCN1 MCULE-1829706908 [0,0,0,0,0,2|2,0,0]=4 2659 B7R1.1 CC[C@@H]1CCCN1 MCULE-6310895621 [0,0,0,0,0,2|2,0,0]=4 2660 B7R1.1 CC[C@@H]1CCCN1 MCULE-6770634475 [0,0,0,0,0,2|2,0,0]=4 2661 B7R1.1 CC[C@@H]1CCCN1 MCULE-9259891597 [0,0,0,0,0,2|2,0,0]=4 2662 B7R1.1 CC[C@@H]1CCNC1 MCULE-1468303255 [0,0,0,0,0,2|2,0,0]=4 2663 B7R1.1 CC[C@@H]1CCNC1 MCULE-2434021547 [0,0,0,0,0,2|2,0,0]=4 2664 B7R1.1 CC[C@@H]1CCNC1 MCULE-4288710106 [0,0,0,0,0,2|2,0,0]=4 2665 B7R1.1 CC[C@@H]1CCNC1 MCULE-5295271815 [0,0,0,0,0,2|2,0,0]=4 2666 B7R1.1 CC[C@H]1CCCN1 MCULE-2347458277 [0,0,0,0,0,2|2,0,0]=4 2667 B7R1.1 CC[C@H]1CCCN1 MCULE-3796565634 [0,0,0,0,0,2|2,0,0]=4 2668 B7R1.1 CC[C@H]1CCCN1 MCULE-6193768639 [0,0,0,0,0,2|2,0,0]=4 2669 B7R1.1 CC[C@H]1CCCN1 MCULE-9679619003 [0,0,0,0,0,2|2,0,0]=4 2670 B7R1.1 CC[C@H]1CCNC1 MCULE-5122116015 [0,0,0,0,0,2|2,0,0]=4 2671 B7R1.1 CC[C@H]1CCNC1 MCULE-5302237772 [0,0,0,0,0,2|2,0,0]=4 2672 B7R1.1 CC[C@H]1CCNC1 MCULE-9447387540 [0,0,0,0,0,2|2,0,0]=4 2673 B7R1.1 CC[C@H]1CCNC1 MCULE-9743799071 [0,0,0,0,0,2|2,0,0]=4 2674 B7R1.1 CNC1CCOC1 MCULE-5628928593 [0,0,0,0,0,2|2,0,0]=4 2675 B7R1.1 CNC1CCOC1 MCULE-7465078745 [0,0,0,0,0,2|2,0,0]=4 2676 B7R1.1 CNC1CCOC1 MCULE-8928979869 [0,0,0,0,0,2|2,0,0]=4 2677 B7R1.1 CN[C@@H]1CCOC1 MCULE-2275496757 [0,0,0,0,0,2|2,0,0]=4 2678 B7R1.1 CN[C@@H]1CCOC1 MCULE-4479731635 [0,0,0,0,0,2|2,0,0]=4 2679 B7R1.1 CN[C@@H]1CCOC1 MCULE-4936509842 [0,0,0,0,0,2|2,0,0]=4 2680 B7R1.1 CN[C@@H]1CCOC1 MCULE-7543653230 [0,0,0,0,0,2|2,0,0]=4 2681 B7R1.1 CN[C@H]1CCOC1 MCULE-3884907072 [0,0,0,0,0,2|2,0,0]=4 2682 B7R1.1 CN[C@H]1CCOC1 MCULE-5671082057 [0,0,0,0,0,2|2,0,0]=4 2683 B7R1.1 CN[C@H]1CCOC1 MCULE-7223789451 [0,0,0,0,0,2|2,0,0]=4 2684 B7R1.1 CN[C@H]1CCOC1 MCULE-7903690510 [0,0,0,0,0,2|2,0,0]=4 2685 B7R1.1 COC1CCCO1 MCULE-8363423240 [0,0,0,0,0,2|2,0,0]=4 2686 B7R1.1 COC1CNOC1 MCULE-1407072401 [0,0,0,0,0,2|2,0,0]=4 2687 B7R1.1 COC1CNOC1 MCULE-3670243548 [0,0,0,0,0,2|2,0,0]=4 2688 B7R1.1 COC1OCCO1 MCULE-9935127218 [0,0,0,0,0,2|2,0,0]=4 2689 B7R1.1 ClCC1=CC=CO1 MCULE-2683635266 [0,0,0,0,0,2|0,0,2]=4 2690 B7R1.1 ClCC1=CC=NO1 MCULE-5240884287 [0,0,0,0,0,2|0,0,2]=4 2691 B7R1.1 ClCC1=CN=CO1 MCULE-3059549694 [0,0,0,0,0,2|0,0,2]=4 2692 B7R1.1 ClCC1=CN=CO1 MCULE-5157324132 [0,0,0,0,0,2|0,0,2]=4 2693 B7R1.1 ClCC1=COC=N1 MCULE-4610279752 [0,0,0,0,0,2|0,0,2]=4 2694 B7R1.1 ClCC1=COC=N1 MCULE-5727172683 [0,0,0,0,0,2|0,0,2]=4 2695 B7R1.1 ClCC1=CON=C1 MCULE-7196518100 [0,0,0,0,0,2|0,0,2]=4 2696 B7R1.1 ClCC1=NC=CO1 MCULE-8397270188 [0,0,0,0,0,2|0,0,2]=4 2697 B7R1.1 ClCC1=NC=NO1 MCULE-8352114139 [0,0,0,0,0,2|0,0,2]=4 2698 B7R1.1 ClCC1=NCCN1 MCULE-1496461910 [0,0,0,0,0,2|1,0,1]=4 2699 B7R1.1 ClCC1=NCCN1 MCULE-6501608310 [0,0,0,0,0,2|1,0,1]=4 2700 B7R1.1 ClCC1=NCCO1 MCULE-8789331570 [0,0,0,0,0,2|0,0,1]=3 2701 B7R1.1 ClCC1=NN=CO1 MCULE-2778881721 [0,0,0,0,0,2|0,0,2]=4 2702 B7R1.1 ClCC1=NOC=C1 MCULE-2047090303 [0,0,0,0,0,2|0,0,2]=4 2703 B7R1.1 ClCC1=NOC=N1 MCULE-4757110919 [0,0,0,0,0,2|0,0,2]=4 2704 B7R1.1 ClCC1=NOCC1 MCULE-8714304275 [0,0,0,0,0,2|0,0,1]=3 2705 B7R1.1 ClCC1=NON=C1 MCULE-7498559704 [0,0,0,0,0,2|0,0,2]=4 2706 B7R1.1 ClCC1CCCC1 MCULE-7652893931 [0,0,0,0,0,2|1,0,0]=3 2707 B7R1.1 ClCC1CCCN1 MCULE-3656101962 [0,0,0,0,0,2|1,0,0]=3 2708 B7R1.1 ClCC1CCCN1 MCULE-9792407426 [0,0,0,0,0,2|1,0,0]=3 2709 B7R1.1 ClCC1CCCO1 MCULE-9816764842 [0,0,0,0,0,2|0,0,0]=2 2710 B7R1.1 ClCC1CCNC1 MCULE-3647066500 [0,0,0,0,0,2|1,0,0]=3 2711 B7R1.1 ClCC1CCNC1 MCULE-4046034551 [0,0,0,0,0,2|1,0,0]=3 2712 B7R1.1 ClCC1CCOC1 MCULE-1203835826 [0,0,0,0,0,2|0,0,0]=2 2713 B7R1.1 ClCC1OCCO1 MCULE-2722734837 [0,0,0,0,0,2|0,0,0]=2 2714 B7R1.1 ClC[C@@H]1CCCN1 MCULE-1712418178 [0,0,0,0,0,2|1,0,0]=3 2715 B7R1.1 ClC[C@@H]1CCCN1 MCULE-2092217865 [0,0,0,0,0,2|1,0,0]=3 2716 B7R1.1 ClC[C@@H]1CCCN1 MCULE-4473753787 [0,0,0,0,0,2|1,0,0]=3 2717 B7R1.1 ClC[C@@H]1CCCN1 MCULE-9545872560 [0,0,0,0,0,2|1,0,0]=3 2718 B7R1.1 ClC[C@@H]1CCNC1 MCULE-3561633948 [0,0,0,0,0,2|1,0,0]=3 2719 B7R1.1 ClC[C@@H]1CCNC1 MCULE-9146547190 [0,0,0,0,0,2|1,0,0]=3 2720 B7R1.1 ClC[C@H]1CCCN1 MCULE-1186865731 [0,0,0,0,0,2|1,0,0]=3 2721 B7R1.1 ClC[C@H]1CCCN1 MCULE-3107383611 [0,0,0,0,0,2|1,0,0]=3 2722 B7R1.1 ClC[C@H]1CCNC1 MCULE-1113644310 [0,0,0,0,0,2|1,0,0]=3 2723 B7R1.1 ClC[C@H]1CCNC1 MCULE-4950070763 [0,0,0,0,0,2|1,0,0]=3 2724 B7R1.1 FCC1CCCN1 MCULE-3216030316 [0,0,0,0,0,2|1,1,0]=4 2725 B7R1.1 FCC1CCCN1 MCULE-4540803550 [0,0,0,0,0,2|1,1,0]=4 2726 B7R1.1 FCC1CCNC1 MCULE-1978414491 [0,0,0,0,0,2|1,1,0]=4 2727 B7R1.1 FCC1CCNC1 MCULE-5950087621 [0,0,0,0,0,2|1,1,0]=4 2728 B7R1.1 FCC1CCNC1 MCULE-7750703127 [0,0,0,0,0,2|1,1,0]=4 2729 B7R1.1 FCC1CCNC1 MCULE-8603606998 [0,0,0,0,0,2|1,1,0]=4 2730 B7R1.1 FC[C@@H]1CCCN1 MCULE-2463314208 [0,0,0,0,0,2|1,1,0]=4 2731 B7R1.1 FC[C@@H]1CCCN1 MCULE-3740139569 [0,0,0,0,0,2|1,1,0]=4 2732 B7R1.1 FC[C@@H]1CCCN1 MCULE-6899304468 [0,0,0,0,0,2|1,1,0]=4 2733 B7R1.1 FC[C@@H]1CCCN1 MCULE-9916936373 [0,0,0,0,0,2|1,1,0]=4 2734 B7R1.1 FC[C@@H]1CCNC1 MCULE-2159002313 [0,0,0,0,0,2|1,1,0]=4 2735 B7R1.1 FC[C@@H]1CCNC1 MCULE-4712597711 [0,0,0,0,0,2|1,1,0]=4 2736 B7R1.1 FC[C@@H]1CCNC1 MCULE-6166975534 [0,0,0,0,0,2|1,1,0]=4 2737 B7R1.1 FC[C@@H]1CCNC1 MCULE-7608233986 [0,0,0,0,0,2|1,1,0]=4 2738 B7R1.1 FC[C@H]1CCCN1 MCULE-1380365453 [0,0,0,0,0,2|1,1,0]=4 2739 B7R1.1 FC[C@H]1CCCN1 MCULE-1512160666 [0,0,0,0,0,2|1,1,0]=4 2740 B7R1.1 FC[C@H]1CCCN1 MCULE-2904385734 [0,0,0,0,0,2|1,1,0]=4 2741 B7R1.1 FC[C@H]1CCCN1 MCULE-9837641384 [0,0,0,0,0,2|1,1,0]=4 2742 B7R1.1 FC[C@H]1CCNC1 MCULE-2828011524 [0,0,0,0,0,2|1,1,0]=4 2743 B7R1.1 FC[C@H]1CCNC1 MCULE-4192540640 [0,0,0,0,0,2|1,1,0]=4 2744 B7R1.1 FC[C@H]1CCNC1 MCULE-5280605995 [0,0,0,0,0,2|1,1,0]=4 2745 B7R1.1 FC[C@H]1CCNC1 MCULE-8886310417 [0,0,0,0,0,2|1,1,0]=4 2746 B7R1.1 ICC1CC=CC1 MCULE-8435970870 [0,0,0,0,0,2|1,1,0]=4 2747 B7R1.1 ICC1CCCC1 MCULE-5940886897 [0,0,0,0,0,2|1,1,0]=4 2748 B7R1.1 ICC1CCCN1 MCULE-3467617934 [0,0,0,0,0,2|1,1,0]=4 2749 B7R1.1 ICC1CCCN1 MCULE-7784862806 [0,0,0,0,0,2|1,1,0]=4 2750 B7R1.1 ICC1CCCO1 MCULE-3981288245 [0,0,0,0,0,2|0,1,0]=3 2751 B7R1.1 ICC1CCNC1 MCULE-4259439945 [0,0,0,0,0,2|1,1,0]=4 2752 B7R1.1 ICC1CCNC1 MCULE-6061564929 [0,0,0,0,0,2|1,1,0]=4 2753 B7R1.1 ICC1CCOC1 MCULE-2014671156 [0,0,0,0,0,2|0,1,0]=3 2754 B7R1.1 IC[C@@H]1CCCN1 MCULE-4843756038 [0,0,0,0,0,2|1,1,0]=4 2755 B7R1.1 IC[C@@H]1CCCN1 MCULE-8213667136 [0,0,0,0,0,2|1,1,0]=4 2756 B7R1.1 IC[C@H]1CCOC1 MCULE-5163407500 [0,0,0,0,0,2|0,1,0]=3 2757 B7R1.1 N#CC1CCCO1 MCULE-6657753631 [0,0,0,0,0,2|1,0,1]=4 2758 B7R1.1 N#CC1CCOC1 MCULE-5555423051 [0,0,0,0,0,2|1,0,1]=4 2759 B7R1.1 N#C[C@@H]1CCOC1 MCULE-4697885787 [0,0,0,0,0,2|1,0,1]=4 2760 B7R1.1 N#C[C@@H]1CCOC1 MCULE-7073460204 [0,0,0,0,0,2|1,0,1]=4 2761 B7R1.1 N#C[C@H]1CCOC1 MCULE-6745266026 [0,0,0,0,0,2|1,0,1]=4 2762 B7R1.1 N#C[C@H]1CCOC1 MCULE-6946151061 [0,0,0,0,0,2|1,0,1]=4 2763 B7R1.1 NCC1C=CCC1 MCULE-5829076156 [0,0,0,0,0,2|2,0,0]=4 2764 B7R1.1 NCC1C=CCC1 MCULE-8381701177 [0,0,0,0,0,2|2,0,0]=4 2765 B7R1.1 NCC1CC=CC1 MCULE-4315281916 [0,0,0,0,0,2|2,0,0]=4 2766 B7R1.1 NCC1CCCC1 MCULE-3629796849 [0,0,0,0,0,2|2,0,0]=4 2767 B7R1.1 NCC1CCCC1 MCULE-8453900433 [0,0,0,0,0,2|2,0,0]=4 2768 B7R1.1 NCC1CCCN1 MCULE-4764684364 [0,0,0,0,0,2|2,0,0]=4 2769 B7R1.1 NCC1CCCN1 MCULE-8971980286 [0,0,0,0,0,2|2,0,0]=4 2770 B7R1.1 NCC1CCCO1 MCULE-2797516262 [0,0,0,0,0,2|1,0,0]=3 2771 B7R1.1 NCC1CCCO1 MCULE-5970677903 [0,0,0,0,0,2|1,0,0]=3 2772 B7R1.1 NCC1CCCO1 MCULE-6166235034 [0,0,0,0,0,2|1,0,0]=3 2773 B7R1.1 NCC1CCCS1 MCULE-5278325816 [0,0,0,0,0,2|1,1,0]=4 2774 B7R1.1 NCC1CCNC1 MCULE-1458513231 [0,0,0,0,0,2|2,0,0]=4 2775 B7R1.1 NCC1CCNC1 MCULE-3817893631 [0,0,0,0,0,2|2,0,0]=4 2776 B7R1.1 NCC1CCOC1 MCULE-4208746127 [0,0,0,0,0,2|1,0,0]=3 2777 B7R1.1 NCC1CCOC1 MCULE-6540410947 [0,0,0,0,0,2|1,0,0]=3 2778 B7R1.1 NCC1CCSC1 MCULE-6868901477 [0,0,0,0,0,2|1,1,0]=4 2779 B7R1.1 NCC1COCO1 MCULE-1657884847 [0,0,0,0,0,2|1,0,0]=3 2780 B7R1.1 NCC1COCO1 MCULE-9310217083 [0,0,0,0,0,2|1,0,0]=3 2781 B7R1.1 NCC1OCCO1 MCULE-4813269641 [0,0,0,0,0,2|1,0,0]=3 2782 B7R1.1 NCC1SCCS1 MCULE-1964630168 [0,0,0,0,0,2|1,1,0]=4 2783 B7R1.1 NCC1SCCS1 MCULE-6937478627 [0,0,0,0,0,2|1,1,0]=4 2784 B7R1.1 NC[C@@H]1CCCN1 MCULE-4726727563 [0,0,0,0,0,2|2,0,0]=4 2785 B7R1.1 NC[C@@H]1CCCN1 MCULE-7513400460 [0,0,0,0,0,2|2,0,0]=4 2786 B7R1.1 NC[C@@H]1CCCN1 MCULE-7622329174 [0,0,0,0,0,2|2,0,0]=4 2787 B7R1.1 NC[C@@H]1CCCN1 MCULE-8573395464 [0,0,0,0,0,2|2,0,0]=4 2788 B7R1.1 NC[C@@H]1CCCO1 MCULE-1103643839 [0,0,0,0,0,2|1,0,0]=3 2789 B7R1.1 NC[C@@H]1CCCO1 MCULE-1402571993 [0,0,0,0,0,2|1,0,0]=3 2790 B7R1.1 NC[C@@H]1CCCO1 MCULE-1448381041 [0,0,0,0,0,2|1,0,0]=3 2791 B7R1.1 NC[C@@H]1CCCO1 MCULE-6664501749 [0,0,0,0,0,2|1,0,0]=3 2792 B7R1.1 NC[C@@H]1CCOC1 MCULE-2941934022 [0,0,0,0,0,2|1,0,0]=3 2793 B7R1.1 NC[C@@H]1CCOC1 MCULE-2981279377 [0,0,0,0,0,2|1,0,0]=3 2794 B7R1.1 NC[C@@H]1CCOC1 MCULE-6671508282 [0,0,0,0,0,2|1,0,0]=3 2795 B7R1.1 NC[C@@H]1CCOC1 MCULE-7170580817 [0,0,0,0,0,2|1,0,0]=3 2796 B7R1.1 NC[C@H]1CCCN1 MCULE-2813912286 [0,0,0,0,0,2|2,0,0]=4 2797 B7R1.1 NC[C@H]1CCCN1 MCULE-5505144820 [0,0,0,0,0,2|2,0,0]=4 2798 B7R1.1 NC[C@H]1CCCN1 MCULE-7325312327 [0,0,0,0,0,2|2,0,0]=4 2799 B7R1.1 NC[C@H]1CCCN1 MCULE-7708925831 [0,0,0,0,0,2|2,0,0]=4 2800 B7R1.1 NC[C@H]1CCCO1 MCULE-1196018690 [0,0,0,0,0,2|1,0,0]=3 2801 B7R1.1 NC[C@H]1CCCO1 MCULE-2037746017 [0,0,0,0,0,2|1,0,0]=3 2802 B7R1.1 NC[C@H]1CCCO1 MCULE-3470426685 [0,0,0,0,0,2|1,0,0]=3 2803 B7R1.1 NC[C@H]1CCCO1 MCULE-9918683284 [0,0,0,0,0,2|1,0,0]=3 2804 B7R1.1 NC[C@H]1CCOC1 MCULE-1537228220 [0,0,0,0,0,2|1,0,0]=3 2805 B7R1.1 NC[C@H]1CCOC1 MCULE-2673094483 [0,0,0,0,0,2|1,0,0]=3 2806 B7R1.1 NC[C@H]1CCOC1 MCULE-4873739830 [0,0,0,0,0,2|1,0,0]=3 2807 B7R1.1 NC[C@H]1CCOC1 MCULE-6059527282 [0,0,0,0,0,2|1,0,0]=3 2808 B7R1.1 NNC1CCOC1 MCULE-5497635104 [0,0,0,0,0,2|2,0,0]=4 2809 B7R1.1 NNC1CCOC1 MCULE-9086625827 [0,0,0,0,0,2|2,0,0]=4 2810 B7R1.1 NNC1CCOC1 MCULE-9696991785 [0,0,0,0,0,2|2,0,0]=4 2811 B7R1.1 NN[C@@H]1CCOC1 MCULE-5277138269 [0,0,0,0,0,2|2,0,0]=4 2812 B7R1.1 NN[C@@H]1CCOC1 MCULE-5921785384 [0,0,0,0,0,2|2,0,0]=4 2813 B7R1.1 NN[C@@H]1CCOC1 MCULE-7398479477 [0,0,0,0,0,2|2,0,0]=4 2814 B7R1.1 NN[C@@H]1CCOC1 MCULE-9971593238 [0,0,0,0,0,2|2,0,0]=4 2815 B7R1.1 NN[C@H]1CCOC1 MCULE-2032105408 [0,0,0,0,0,2|2,0,0]=4 2816 B7R1.1 NN[C@H]1CCOC1 MCULE-4857620237 [0,0,0,0,0,2|2,0,0]=4 2817 B7R1.1 NN[C@H]1CCOC1 MCULE-5796183363 [0,0,0,0,0,2|2,0,0]=4 2818 B7R1.1 NN[C@H]1CCOC1 MCULE-8921088992 [0,0,0,0,0,2|2,0,0]=4 2819 B7R1.1 NOC1CCOC1 MCULE-1016688849 [0,0,0,0,0,2|2,0,0]=4 2820 B7R1.1 O=CC1CCCO1 MCULE-4587605451 [0,0,0,0,0,2|1,0,1]=4 2821 B7R1.1 O=CC1CCOC1 MCULE-9515567606 [0,0,0,0,0,2|1,0,1]=4 2822 B7R1.1 O=C[C@@H]1CCOC1 MCULE-5181257964 [0,0,0,0,0,2|1,0,1]=4 2823 B7R1.1 O=C[C@H]1CCOC1 MCULE-4532427366 [0,0,0,0,0,2|1,0,1]=4 2824 B7R1.1 OCC1=NCCO1 MCULE-9432593363 [0,0,0,0,0,2|1,0,1]=4 2825 B7R1.1 OCC1C=CCC1 MCULE-1237002603 [0,0,0,0,0,2|2,0,0]=4 2826 B7R1.1 OCC1C=CCN1 MCULE-1461746159 [0,0,0,0,0,2|2,0,0]=4 2827 B7R1.1 OCC1C=CCN1 MCULE-5814337815 [0,0,0,0,0,2|2,0,0]=4 2828 B7R1.1 OCC1CC=CC1 MCULE-4213030098 [0,0,0,0,0,2|2,0,0]=4 2829 B7R1.1 OCC1CCCC1 MCULE-2985338933 [0,0,0,0,0,2|2,0,0]=4 2830 B7R1.1 OCC1CCCN1 MCULE-1016922679 [0,0,0,0,0,2|2,0,0]=4 2831 B7R1.1 OCC1CCCN1 MCULE-8224535891 [0,0,0,0,0,2|2,0,0]=4 2832 B7R1.1 OCC1CCCO1 MCULE-5877114547 [0,0,0,0,0,2|1,0,0]=3 2833 B7R1.1 OCC1CCCO1 MCULE-5884880244 [0,0,0,0,0,2|1,0,0]=3 2834 B7R1.1 OCC1CCCS1 MCULE-6106081414 [0,0,0,0,0,2|1,1,0]=4 2835 B7R1.1 OCC1CCNC1 MCULE-7883947611 [0,0,0,0,0,2|2,0,0]=4 2836 B7R1.1 OCC1CCNC1 MCULE-9689521155 [0,0,0,0,0,2|2,0,0]=4 2837 B7R1.1 OCC1CCOC1 MCULE-8926405046 [0,0,0,0,0,2|1,0,0]=3 2838 B7R1.1 OCC1CCON1 MCULE-1199975481 [0,0,0,0,0,2|1,0,0]=3 2839 B7R1.1 OCC1CCON1 MCULE-4772487016 [0,0,0,0,0,2|1,0,0]=3 2840 B7R1.1 OCC1CCSC1 MCULE-2226132734 [0,0,0,0,0,2|1,1,0]=4 2841 B7R1.1 OCC1COCO1 MCULE-3470022742 [0,0,0,0,0,2|1,0,0]=3 2842 B7R1.1 OCC1OCCO1 MCULE-8334027179 [0,0,0,0,0,2|1,0,0]=3 2843 B7R1.1 OC[C@@H]1CCCN1 MCULE-1791547752 [0,0,0,0,0,2|2,0,0]=4 2844 B7R1.1 OC[C@@H]1CCCN1 MCULE-6448856585 [0,0,0,0,0,2|2,0,0]=4 2845 B7R1.1 OC[C@@H]1CCCN1 MCULE-7214801659 [0,0,0,0,0,2|2,0,0]=4 2846 B7R1.1 OC[C@@H]1CCCN1 MCULE-7248451975 [0,0,0,0,0,2|2,0,0]=4 2847 B7R1.1 OC[C@@H]1CCCO1 MCULE-1788377708 [0,0,0,0,0,2|1,0,0]=3 2848 B7R1.1 OC[C@@H]1CCCO1 MCULE-3533553137 [0,0,0,0,0,2|1,0,0]=3 2849 B7R1.1 OC[C@@H]1CCNC1 MCULE-3126404140 [0,0,0,0,0,2|2,0,0]=4 2850 B7R1.1 OC[C@@H]1CCNC1 MCULE-4876549629 [0,0,0,0,0,2|2,0,0]=4 2851 B7R1.1 OC[C@@H]1CCNC1 MCULE-7050415145 [0,0,0,0,0,2|2,0,0]=4 2852 B7R1.1 OC[C@@H]1CCNC1 MCULE-8785146407 [0,0,0,0,0,2|2,0,0]=4 2853 B7R1.1 OC[C@@H]1CCOC1 MCULE-2004616524 [0,0,0,0,0,2|1,0,0]=3 2854 B7R1.1 OC[C@@H]1CCOC1 MCULE-3801423698 [0,0,0,0,0,2|1,0,0]=3 2855 B7R1.1 OC[C@H]1CCCN1 MCULE-1266532697 [0,0,0,0,0,2|2,0,0]=4 2856 B7R1.1 OC[C@H]1CCCN1 MCULE-1724166794 [0,0,0,0,0,2|2,0,0]=4 2857 B7R1.1 OC[C@H]1CCCN1 MCULE-7513431964 [0,0,0,0,0,2|2,0,0]=4 2858 B7R1.1 OC[C@H]1CCCN1 MCULE-8398083695 [0,0,0,0,0,2|2,0,0]=4 2859 B7R1.1 OC[C@H]1CCCO1 MCULE-3501680239 [0,0,0,0,0,2|1,0,0]=3 2860 B7R1.1 OC[C@H]1CCCO1 MCULE-4925106568 [0,0,0,0,0,2|1,0,0]=3 2861 B7R1.1 OC[C@H]1CCNC1 MCULE-3909770597 [0,0,0,0,0,2|2,0,0]=4 2862 B7R1.1 OC[C@H]1CCNC1 MCULE-5006682123 [0,0,0,0,0,2|2,0,0]=4 2863 B7R1.1 OC[C@H]1CCNC1 MCULE-8265382423 [0,0,0,0,0,2|2,0,0]=4 2864 B7R1.1 OC[C@H]1CCNC1 MCULE-8371969680 [0,0,0,0,0,2|2,0,0]=4 2865 B7R1.1 OC[C@H]1CCOC1 MCULE-4226412289 [0,0,0,0,0,2|1,0,0]=3 2866 B7R1.1 OC[C@H]1CCOC1 MCULE-9076004118 [0,0,0,0,0,2|1,0,0]=3 2867 B7R1.1 SCC1CCCC1 MCULE-7973872166 [0,0,0,0,0,2|2,0,0]=4 2868 B7R1.1 SCC1CCCO1 MCULE-5962232488 [0,0,0,0,0,2|1,0,0]=3 2869 B7R1.1 SCC1CCOC1 MCULE-4504314486 [0,0,0,0,0,2|1,0,0]=3