0 B4R1.2 BrC1CC1 MCULE-3656295609 [0,0,0,0,0,0|2,0,0]=2 1 B4R1.2 CC1CC1 MCULE-5909419916 [0,0,0,0,0,0|1,0,0]=1 2 B4R1.2 CC1CN1 MCULE-2953452695 [0,0,0,0,0,0|1,0,0]=1 3 B4R1.2 CC1CO1 MCULE-4799904973 [0,0,0,0,0,0|0,0,0]=0 4 B4R1.2 CC1CO1 MCULE-9508255430 [0,0,0,0,0,0|0,0,0]=0 5 B4R1.2 CC1CS1 MCULE-2534699321 [0,0,0,0,0,0|0,1,0]=1 6 B4R1.2 C[C@@H]1CO1 MCULE-5437340901 [0,0,0,0,0,0|0,0,0]=0 7 B4R1.2 C[C@@H]1CO1 MCULE-6874302400 [0,0,0,0,0,0|0,0,0]=0 8 B4R1.2 C[C@H]1CO1 MCULE-4667457959 [0,0,0,0,0,0|0,0,0]=0 9 B4R1.2 IC1CC1 MCULE-6043109265 [0,0,0,0,0,0|2,0,0]=2 10 B4R1.2 NC1CC1 MCULE-1933360330 [0,0,0,0,0,0|2,0,0]=2 11 B4R1.2 NC1CC1 MCULE-6187070220 [0,0,0,0,0,0|2,0,0]=2 12 B4R1.2 OC1CC1 MCULE-8237846154 [0,0,0,0,0,0|2,0,0]=2 13 B4R1.2 SC1CC1 MCULE-1371610395 [0,0,0,0,0,0|2,0,0]=2 14 B4R1.2 [C@@H]1(CN1)C MCULE-4079798985 [0,0,0,0,0,0|1,0,0]=1 15 B3R1.1 C1CC1 MCULE-3418833052 [1,0,0,0,0,0|1,0,0]=2 16 B3R1.1 C1CN1 MCULE-4736867570 [1,0,0,0,0,0|1,0,0]=2 17 B3R1.1 C1CS1 MCULE-2741112339 [1,0,0,0,0,0|0,1,0]=2 18 B5R1.3 BrCC1CC1 MCULE-6057571576 [0,1,0,0,0,0|1,0,0]=2 19 B5R1.3 BrCC1CO1 MCULE-1054784183 [0,1,0,0,0,0|0,0,0]=1 20 B5R1.3 C#CC1CC1 MCULE-8413731516 [0,1,0,0,0,0|1,0,1]=3 21 B5R1.3 C1(CO1)CCl MCULE-2239256431 [0,1,0,0,0,0|0,0,0]=1 22 B5R1.3 C=CC1CC1 MCULE-4323158851 [0,1,0,0,0,0|1,0,1]=3 23 B5R1.3 C=CC1CO1 MCULE-1428696186 [0,1,0,0,0,0|0,0,1]=2 24 B5R1.3 CCC1CO1 MCULE-4316722229 [0,1,0,0,0,0|0,0,0]=1 25 B5R1.3 CCC1CO1 MCULE-8341828978 [0,1,0,0,0,0|0,0,0]=1 26 B5R1.3 CC[C@@H]1CO1 MCULE-4349820919 [0,1,0,0,0,0|0,0,0]=1 27 B5R1.3 CC[C@@H]1CO1 MCULE-5929218989 [0,1,0,0,0,0|0,0,0]=1 28 B5R1.3 CC[C@H]1CO1 MCULE-3647278168 [0,1,0,0,0,0|0,0,0]=1 29 B5R1.3 CC[C@H]1CO1 MCULE-4369524443 [0,1,0,0,0,0|0,0,0]=1 30 B5R1.3 CNC1CC1 MCULE-4055097650 [0,1,0,0,0,0|1,0,0]=2 31 B5R1.3 CNC1CC1 MCULE-8040280524 [0,1,0,0,0,0|1,0,0]=2 32 B5R1.3 ClCC1CC1 MCULE-3906493674 [0,1,0,0,0,0|1,0,0]=2 33 B5R1.3 ClCC1CO1 MCULE-9759519789 [0,1,0,0,0,0|0,0,0]=1 34 B5R1.3 ClCC1CS1 MCULE-7368175691 [0,1,0,0,0,0|0,1,0]=2 35 B5R1.3 ClC[C@@H]1CO1 MCULE-8144448889 [0,1,0,0,0,0|0,0,0]=1 36 B5R1.3 ClC[C@@H]1CO1 MCULE-8710235870 [0,1,0,0,0,0|0,0,0]=1 37 B5R1.3 ClC[C@H]1CO1 MCULE-2316124162 [0,1,0,0,0,0|0,0,0]=1 38 B5R1.3 ClC[C@H]1CO1 MCULE-6957304600 [0,1,0,0,0,0|0,0,0]=1 39 B5R1.3 FCC1CO1 MCULE-6156138745 [0,1,0,0,0,0|0,0,0]=1 40 B5R1.3 FC[C@@H]1CO1 MCULE-7477932707 [0,1,0,0,0,0|0,0,0]=1 41 B5R1.3 FNC1CC1 MCULE-4155496114 [0,1,0,0,0,0|2,0,0]=3 42 B5R1.3 ICC1CC1 MCULE-2390979991 [0,1,0,0,0,0|1,0,0]=2 43 B5R1.3 ICC1CO1 MCULE-6993621560 [0,1,0,0,0,0|0,0,0]=1 44 B5R1.3 N#CC1CC1 MCULE-1838359731 [0,1,0,0,0,0|1,0,1]=3 45 B5R1.3 NCC1CC1 MCULE-5832294538 [0,1,0,0,0,0|1,0,0]=2 46 B5R1.3 NCC1CC1 MCULE-9914994928 [0,1,0,0,0,0|1,0,0]=2 47 B5R1.3 NNC1CC1 MCULE-3522729516 [0,1,0,0,0,0|2,0,0]=3 48 B5R1.3 NNC1CC1 MCULE-7121199703 [0,1,0,0,0,0|2,0,0]=3 49 B5R1.3 NNC1CC1 MCULE-8598538666 [0,1,0,0,0,0|2,0,0]=3 50 B5R1.3 NOC1CC1 MCULE-5379816123 [0,1,0,0,0,0|2,0,0]=3 51 B5R1.3 O=CC1CC1 MCULE-9773190262 [0,1,0,0,0,0|1,0,1]=3 52 B5R1.3 OCC1CC1 MCULE-4492474357 [0,1,0,0,0,0|1,0,0]=2 53 B5R1.3 OCC1CO1 MCULE-2158628585 [0,1,0,0,0,0|0,0,0]=1 54 B5R1.3 OCC1CO1 MCULE-4063620133 [0,1,0,0,0,0|0,0,0]=1 55 B5R1.3 OC[C@@H]1CO1 MCULE-4213198809 [0,1,0,0,0,0|0,0,0]=1 56 B5R1.3 OC[C@@H]1CO1 MCULE-6922911793 [0,1,0,0,0,0|0,0,0]=1 57 B5R1.3 OC[C@H]1CO1 MCULE-2018407404 [0,1,0,0,0,0|0,0,0]=1 58 B5R1.3 OC[C@H]1CO1 MCULE-9773081927 [0,1,0,0,0,0|0,0,0]=1 59 B5R1.3 SCC1CC1 MCULE-9557919804 [0,1,0,0,0,0|1,0,0]=2 60 B5R1.3 [C@@H]1(CO1)C=C MCULE-9776744095 [0,1,0,0,0,0|0,0,1]=2 61 B5R1.3 [C@H]1(CO1)C=C MCULE-7934901088 [0,1,0,0,0,0|0,0,1]=2 62 B5R1.4 CC1CC1N MCULE-4472318973 [0,1,0,0,0,0|1,0,0]=2 63 B5R1.4 CC1CC1N MCULE-8037315228 [0,1,0,0,0,0|1,0,0]=2 64 B5R1.4 CC1CC1O MCULE-2006758475 [0,1,0,0,0,0|1,0,0]=2 65 B5R1.4 CC1OC1C MCULE-9780363671 [0,1,0,0,0,0|0,0,0]=1 66 B5R1.4 C[C@@H]1C[C@@H]1N MCULE-6282896395 [0,1,0,0,0,0|1,0,0]=2 67 B5R1.4 C[C@@H]1C[C@H]1N MCULE-1526017761 [0,1,0,0,0,0|1,0,0]=2 68 B5R1.4 C[C@@H]1C[C@H]1N MCULE-7111745511 [0,1,0,0,0,0|1,0,0]=2 69 B5R1.4 C[C@@H]1C[C@H]1N MCULE-7879046644 [0,1,0,0,0,0|1,0,0]=2 70 B5R1.4 C[C@@H]1C[C@H]1N MCULE-9805986423 [0,1,0,0,0,0|1,0,0]=2 71 B5R1.4 C[C@@H]1O[C@@H]1C MCULE-4355544092 [0,1,0,0,0,0|0,0,0]=1 72 B5R1.4 C[C@@H]1O[C@H]1C MCULE-1930253682 [0,1,0,0,0,0|0,0,0]=1 73 B5R1.4 C[C@H]1C[C@@H]1N MCULE-9525222696 [0,1,0,0,0,0|1,0,0]=2 74 B5R1.4 C[C@H]1C[C@@H]1N MCULE-9658987958 [0,1,0,0,0,0|1,0,0]=2 75 B5R1.4 C[C@H]1C[C@H]1N MCULE-4953477750 [0,1,0,0,0,0|1,0,0]=2 76 B5R1.4 C[C@H]1C[C@H]1N MCULE-6429810931 [0,1,0,0,0,0|1,0,0]=2 77 B5R1.4 C[C@H]1O[C@@H]1C MCULE-4354089942 [0,1,0,0,0,0|0,0,0]=1 78 B5R1.4 C[C@H]1O[C@@H]1C MCULE-7982793342 [0,1,0,0,0,0|0,0,0]=1 79 B5R1.4 FC1CC1Br MCULE-9881614971 [0,1,0,0,0,0|2,0,0]=3 80 B5R1.4 NC1CC1F MCULE-8246845073 [0,1,0,0,0,0|2,0,0]=3 81 B5R1.4 NC1CC1F MCULE-9705431616 [0,1,0,0,0,0|2,0,0]=3 82 B5R1.4 NC1CC1N MCULE-2596247889 [0,1,0,0,0,0|2,0,0]=3 83 B5R1.4 NC1CC1N MCULE-7859500244 [0,1,0,0,0,0|2,0,0]=3 84 B5R1.4 NC1CC1O MCULE-2677451452 [0,1,0,0,0,0|2,0,0]=3 85 B5R1.4 NC1CC1O MCULE-2909581707 [0,1,0,0,0,0|2,0,0]=3 86 B5R1.4 NC1C[C@@H]1F MCULE-6104198419 [0,1,0,0,0,0|2,0,0]=3 87 B5R1.4 NC1C[C@@H]1F MCULE-8327037761 [0,1,0,0,0,0|2,0,0]=3 88 B5R1.4 N[C@@H]1C[C@@H]1F MCULE-1523759808 [0,1,0,0,0,0|2,0,0]=3 89 B5R1.4 N[C@@H]1C[C@@H]1F MCULE-1966857090 [0,1,0,0,0,0|2,0,0]=3 90 B5R1.4 N[C@@H]1C[C@@H]1F MCULE-3541599795 [0,1,0,0,0,0|2,0,0]=3 91 B5R1.4 N[C@@H]1C[C@@H]1F MCULE-8279324103 [0,1,0,0,0,0|2,0,0]=3 92 B5R1.4 N[C@@H]1C[C@@H]1O MCULE-1950197706 [0,1,0,0,0,0|2,0,0]=3 93 B5R1.4 N[C@@H]1C[C@H]1F MCULE-1379839035 [0,1,0,0,0,0|2,0,0]=3 94 B5R1.4 N[C@@H]1C[C@H]1F MCULE-7084330140 [0,1,0,0,0,0|2,0,0]=3 95 B5R1.4 N[C@@H]1C[C@H]1F MCULE-7552076798 [0,1,0,0,0,0|2,0,0]=3 96 B5R1.4 N[C@@H]1C[C@H]1F MCULE-7897288338 [0,1,0,0,0,0|2,0,0]=3 97 B5R1.4 N[C@@H]1C[C@H]1N MCULE-3447984641 [0,1,0,0,0,0|2,0,0]=3 98 B5R1.4 N[C@@H]1C[C@H]1N MCULE-6823903337 [0,1,0,0,0,0|2,0,0]=3 99 B5R1.4 N[C@@H]1C[C@H]1N MCULE-7464483331 [0,1,0,0,0,0|2,0,0]=3 100 B5R1.4 N[C@@H]1C[C@H]1N MCULE-8962336863 [0,1,0,0,0,0|2,0,0]=3 101 B5R1.4 N[C@@H]1C[C@H]1O MCULE-5188790849 [0,1,0,0,0,0|2,0,0]=3 102 B5R1.4 N[C@@H]1C[C@H]1O MCULE-8531829585 [0,1,0,0,0,0|2,0,0]=3 103 B5R1.4 N[C@H]1C[C@@H]1F MCULE-2098980306 [0,1,0,0,0,0|2,0,0]=3 104 B5R1.4 N[C@H]1C[C@@H]1F MCULE-4142129455 [0,1,0,0,0,0|2,0,0]=3 105 B5R1.4 N[C@H]1C[C@@H]1F MCULE-8616633135 [0,1,0,0,0,0|2,0,0]=3 106 B5R1.4 N[C@H]1C[C@@H]1F MCULE-8788279695 [0,1,0,0,0,0|2,0,0]=3 107 B5R1.4 N[C@H]1C[C@@H]1N MCULE-3374448650 [0,1,0,0,0,0|2,0,0]=3 108 B5R1.4 N[C@H]1C[C@@H]1N MCULE-3782038729 [0,1,0,0,0,0|2,0,0]=3 109 B5R1.4 N[C@H]1C[C@@H]1N MCULE-7583094160 [0,1,0,0,0,0|2,0,0]=3 110 B5R1.4 N[C@H]1C[C@@H]1O MCULE-4699241997 [0,1,0,0,0,0|2,0,0]=3 111 B5R1.4 N[C@H]1C[C@H]1F MCULE-1665232627 [0,1,0,0,0,0|2,0,0]=3 112 B5R1.4 N[C@H]1C[C@H]1F MCULE-1941678287 [0,1,0,0,0,0|2,0,0]=3 113 B5R1.4 N[C@H]1C[C@H]1F MCULE-3275343851 [0,1,0,0,0,0|2,0,0]=3 114 B5R1.4 N[C@H]1C[C@H]1F MCULE-5308534229 [0,1,0,0,0,0|2,0,0]=3 115 B5R1.4 N[C@H]1C[C@H]1N MCULE-1426528738 [0,1,0,0,0,0|2,0,0]=3 116 B5R1.4 N[C@H]1C[C@H]1N MCULE-6003446819 [0,1,0,0,0,0|2,0,0]=3 117 B5R1.4 N[C@H]1C[C@H]1O MCULE-3609246488 [0,1,0,0,0,0|2,0,0]=3 118 B5R1.4 N[C@H]1C[C@H]1O MCULE-3860963329 [0,1,0,0,0,0|2,0,0]=3 119 B5R1.4 [C@@H]1(C[C@H]1N)F MCULE-5118118569 [0,1,0,0,0,0|2,0,0]=3 120 B5R1.4 [C@H]1(C[C@H]1F)N MCULE-1071128348 [0,1,0,0,0,0|2,0,0]=3 121 B5R1.4 [C@H]1(C[C@H]1F)N MCULE-8956631145 [0,1,0,0,0,0|2,0,0]=3 122 B5R1.5 CC1(CC1)Br MCULE-7741990197 [0,1,0,0,0,0|1,0,0]=2 123 B5R1.5 CC1(CC1)N MCULE-5669720871 [0,1,0,0,0,0|1,0,0]=2 124 B5R1.5 CC1(CC1)N MCULE-6964629714 [0,1,0,0,0,0|1,0,0]=2 125 B5R1.5 CC1(CC1)O MCULE-8472680145 [0,1,0,0,0,0|1,0,0]=2 126 B5R1.5 CC1(CN1)C MCULE-8452595493 [0,1,0,0,0,0|1,0,0]=2 127 B5R1.5 CC1(CO1)C MCULE-4247049920 [0,1,0,0,0,0|0,0,0]=1 128 B5R1.5 CC1(CS1)C MCULE-7579931452 [0,1,0,0,0,0|0,1,0]=2 129 B5R1.5 ClC1(CC1)Cl MCULE-1245940379 [0,1,0,0,0,0|2,0,0]=3 130 B5R1.5 NC1(CC1)O MCULE-6134507215 [0,1,0,0,0,0|2,0,0]=3 131 B5R1.5 NC1(CC1)O MCULE-9233065159 [0,1,0,0,0,0|2,0,0]=3 132 B5R1.5 O=S1(=O)CC1 MCULE-3660879908 [0,1,0,0,0,0|3,0,0]=4 133 B3R0.1 BrCCBr MCULE-7586462642 [0,0,1,0,0,0|2,0,0]=3 134 B3R0.1 BrCCI MCULE-8691237057 [0,0,1,0,0,0|2,0,0]=3 135 B3R0.1 C#CCBr MCULE-7634822695 [0,0,1,0,0,0|1,0,2]=4 136 B3R0.1 C#CCC MCULE-8090253856 [0,0,1,0,0,0|1,0,1]=3 137 B3R0.1 C#CCCl MCULE-8379017189 [0,0,1,0,0,0|1,0,2]=4 138 B3R0.1 C#CCN MCULE-3201948975 [0,0,1,0,0,0|1,0,2]=4 139 B3R0.1 C#CCN MCULE-6286515491 [0,0,1,0,0,0|1,0,2]=4 140 B3R0.1 C#CCO MCULE-3909200923 [0,0,1,0,0,0|0,0,2]=3 141 B3R0.1 C/B=N/O MCULE-5227399299 [0,0,1,0,0,0|2,0,0]=3 142 B3R0.1 C/C=C/Br MCULE-4076369660 [0,0,1,0,0,0|1,0,2]=4 143 B3R0.1 C/C=N/O MCULE-2376410404 [0,0,1,0,0,0|1,0,1]=3 144 B3R0.1 C=CCBr MCULE-9486454833 [0,0,1,0,0,0|1,0,2]=4 145 B3R0.1 C=CCC MCULE-8167907130 [0,0,1,0,0,0|1,0,1]=3 146 B3R0.1 C=CCCl MCULE-4067772785 [0,0,1,0,0,0|1,0,2]=4 147 B3R0.1 C=CCF MCULE-7783191980 [0,0,1,0,0,0|1,0,2]=4 148 B3R0.1 C=CCI MCULE-5037698873 [0,0,1,0,0,0|1,0,2]=4 149 B3R0.1 C=CCN MCULE-2424616806 [0,0,1,0,0,0|1,0,2]=4 150 B3R0.1 C=CCN MCULE-2473480946 [0,0,1,0,0,0|1,0,2]=4 151 B3R0.1 C=CCO MCULE-2145308838 [0,0,1,0,0,0|0,0,2]=3 152 B3R0.1 C=CCS MCULE-7270484838 [0,0,1,0,0,0|0,1,2]=4 153 B3R0.1 C=COC MCULE-4880746684 [0,0,1,0,0,0|0,0,2]=3 154 B3R0.1 CC#CC MCULE-3721942346 [0,0,1,0,0,0|1,0,1]=3 155 B3R0.1 CC#CI MCULE-4817406645 [0,0,1,0,0,0|1,0,2]=4 156 B3R0.1 CC=CBr MCULE-2098755460 [0,0,1,0,0,0|1,0,2]=4 157 B3R0.1 CC=CCl MCULE-9225887510 [0,0,1,0,0,0|1,0,2]=4 158 B3R0.1 CC=NO MCULE-9761317381 [0,0,1,0,0,0|1,0,1]=3 159 B3R0.1 CCC#N MCULE-9484970536 [0,0,1,0,0,0|1,0,1]=3 160 B3R0.1 CCC=O MCULE-4079744837 [0,0,1,0,0,0|0,0,2]=3 161 B3R0.1 CCCBr MCULE-2393970713 [0,0,1,0,0,0|1,0,0]=2 162 B3R0.1 CCCC MCULE-9760497805 [0,0,1,0,0,0|1,0,0]=2 163 B3R0.1 CCCCl MCULE-3496412829 [0,0,1,0,0,0|1,0,0]=2 164 B3R0.1 CCCF MCULE-8540338768 [0,0,1,0,0,0|1,0,0]=2 165 B3R0.1 CCCI MCULE-1721488805 [0,0,1,0,0,0|1,0,0]=2 166 B3R0.1 CCCN MCULE-2885523792 [0,0,1,0,0,0|1,0,0]=2 167 B3R0.1 CCCN MCULE-4318907091 [0,0,1,0,0,0|1,0,0]=2 168 B3R0.1 CCCN MCULE-6330457870 [0,0,1,0,0,0|1,0,0]=2 169 B3R0.1 CCCN MCULE-7146820007 [0,0,1,0,0,0|1,0,0]=2 170 B3R0.1 CCCO MCULE-6252105126 [0,0,1,0,0,0|0,0,0]=1 171 B3R0.1 CCCS MCULE-8267649092 [0,0,1,0,0,0|0,1,0]=2 172 B3R0.1 CCNC MCULE-7215376398 [0,0,1,0,0,0|1,0,0]=2 173 B3R0.1 CCNC MCULE-9811899205 [0,0,1,0,0,0|1,0,0]=2 174 B3R0.1 CCNN MCULE-4753127904 [0,0,1,0,0,0|2,0,0]=3 175 B3R0.1 CCNN MCULE-7630363192 [0,0,1,0,0,0|2,0,0]=3 176 B3R0.1 CCNN MCULE-8402230944 [0,0,1,0,0,0|2,0,0]=3 177 B3R0.1 CCNO MCULE-1215586669 [0,0,1,0,0,0|1,0,0]=2 178 B3R0.1 CCNO MCULE-7075818857 [0,0,1,0,0,0|1,0,0]=2 179 B3R0.1 CCON MCULE-5316082054 [0,0,1,0,0,0|1,0,0]=2 180 B3R0.1 CCON MCULE-6621418839 [0,0,1,0,0,0|1,0,0]=2 181 B3R0.1 CCO[NH3+] MCULE-7670481464 [0,0,1,0,0,0|1,0,0]=2 182 B3R0.1 CCO[NH3+] MCULE-7871083232 [0,0,1,0,0,0|1,0,0]=2 183 B3R0.1 CCSC MCULE-6944750263 [0,0,1,0,0,0|0,1,0]=2 184 B3R0.1 CN=C=O MCULE-7764606582 [0,0,1,0,0,0|1,0,2]=4 185 B3R0.1 CN=C=S MCULE-6174235995 [0,0,1,0,0,0|1,1,1]=4 186 B3R0.1 CNC#N MCULE-9135475289 [0,0,1,0,0,0|2,0,1]=4 187 B3R0.1 CNC=O MCULE-4739122677 [0,0,1,0,0,0|1,0,2]=4 188 B3R0.1 CNC=S MCULE-1018523469 [0,0,1,0,0,0|1,1,1]=4 189 B3R0.1 CNNC MCULE-5932476941 [0,0,1,0,0,0|2,0,0]=3 190 B3R0.1 CNNC MCULE-6419598860 [0,0,1,0,0,0|2,0,0]=3 191 B3R0.1 CNOC MCULE-1706082503 [0,0,1,0,0,0|1,0,0]=2 192 B3R0.1 CNOC MCULE-6224540090 [0,0,1,0,0,0|1,0,0]=2 193 B3R0.1 COC=O MCULE-9122749354 [0,0,1,0,0,0|1,0,1]=3 194 B3R0.1 COCBr MCULE-2566721472 [0,0,1,0,0,0|1,0,0]=2 195 B3R0.1 COCCl MCULE-5928768006 [0,0,1,0,0,0|1,0,0]=2 196 B3R0.1 COCI MCULE-5215132549 [0,0,1,0,0,0|1,0,0]=2 197 B3R0.1 CSC#N MCULE-3677411130 [0,0,1,0,0,0|1,1,1]=4 198 B3R0.1 CSCCl MCULE-1281800596 [0,0,1,0,0,0|1,1,0]=3 199 B3R0.1 CSSC MCULE-7451882535 [0,0,1,0,0,0|1,1,0]=3 200 B3R0.1 C[Se][Se]C MCULE-1189700302 [0,0,1,0,0,0|1,1,0]=3 201 B3R0.1 ClCCBr MCULE-3933774075 [0,0,1,0,0,0|2,0,0]=3 202 B3R0.1 ClCCCl MCULE-3493741440 [0,0,1,0,0,0|2,0,0]=3 203 B3R0.1 ClCCI MCULE-7847880962 [0,0,1,0,0,0|2,0,0]=3 204 B3R0.1 FCCBr MCULE-3117974140 [0,0,1,0,0,0|2,0,0]=3 205 B3R0.1 FCCCl MCULE-1862981403 [0,0,1,0,0,0|2,0,0]=3 206 B3R0.1 FCCF MCULE-1975194621 [0,0,1,0,0,0|2,0,0]=3 207 B3R0.1 FCCI MCULE-3689313503 [0,0,1,0,0,0|2,0,0]=3 208 B3R0.1 ICCI MCULE-8025471988 [0,0,1,0,0,0|2,0,0]=3 209 B3R0.1 N#CCBr MCULE-3684255203 [0,0,1,0,0,0|2,0,1]=4 210 B3R0.1 N#CCCl MCULE-5316147295 [0,0,1,0,0,0|2,0,1]=4 211 B3R0.1 N#CCF MCULE-7784616816 [0,0,1,0,0,0|2,0,1]=4 212 B3R0.1 N#CCI MCULE-4005602243 [0,0,1,0,0,0|2,0,1]=4 213 B3R0.1 N#CCN MCULE-6677928349 [0,0,1,0,0,0|2,0,1]=4 214 B3R0.1 N#CCN MCULE-6699419972 [0,0,1,0,0,0|2,0,1]=4 215 B3R0.1 N/C=N/O MCULE-9567664507 [0,0,1,0,0,0|2,0,1]=4 216 B3R0.1 NCCBr MCULE-3401124597 [0,0,1,0,0,0|2,0,0]=3 217 B3R0.1 NCCBr MCULE-6215378497 [0,0,1,0,0,0|2,0,0]=3 218 B3R0.1 NCCCl MCULE-1458699843 [0,0,1,0,0,0|2,0,0]=3 219 B3R0.1 NCCCl MCULE-6944306112 [0,0,1,0,0,0|2,0,0]=3 220 B3R0.1 NCCF MCULE-1670520169 [0,0,1,0,0,0|2,0,0]=3 221 B3R0.1 NCCF MCULE-4963351029 [0,0,1,0,0,0|2,0,0]=3 222 B3R0.1 NCCI MCULE-6905308399 [0,0,1,0,0,0|2,0,0]=3 223 B3R0.1 NCCI MCULE-7487764362 [0,0,1,0,0,0|2,0,0]=3 224 B3R0.1 NCCN MCULE-4740333723 [0,0,1,0,0,0|2,0,0]=3 225 B3R0.1 NCCN MCULE-6795272853 [0,0,1,0,0,0|2,0,0]=3 226 B3R0.1 NCCN MCULE-8304126024 [0,0,1,0,0,0|2,0,0]=3 227 B3R0.1 NCCN MCULE-8325612144 [0,0,1,0,0,0|2,0,0]=3 228 B3R0.1 NCCO MCULE-5175116598 [0,0,1,0,0,0|1,0,0]=2 229 B3R0.1 NCCO MCULE-8624730373 [0,0,1,0,0,0|1,0,0]=2 230 B3R0.1 NCCS MCULE-1838427828 [0,0,1,0,0,0|1,1,0]=3 231 B3R0.1 NCCS MCULE-2418938683 [0,0,1,0,0,0|1,1,0]=3 232 B3R0.1 NOC=O MCULE-4489199776 [0,0,1,0,0,0|2,0,1]=4 233 B3R0.1 O=CCBr MCULE-9076011270 [0,0,1,0,0,0|1,0,2]=4 234 B3R0.1 O=CCCl MCULE-7307216184 [0,0,1,0,0,0|1,0,2]=4 235 B3R0.1 O=CCI MCULE-1146810366 [0,0,1,0,0,0|1,0,2]=4 236 B3R0.1 OCCBr MCULE-5097256006 [0,0,1,0,0,0|1,0,0]=2 237 B3R0.1 OCCCl MCULE-5139580173 [0,0,1,0,0,0|1,0,0]=2 238 B3R0.1 OCCF MCULE-7590677201 [0,0,1,0,0,0|1,0,0]=2 239 B3R0.1 OCCI MCULE-8359750387 [0,0,1,0,0,0|1,0,0]=2 240 B3R0.1 OCCO MCULE-6366313128 [0,0,1,0,0,0|1,0,0]=2 241 B3R0.1 OCCS MCULE-2252943288 [0,0,1,0,0,0|1,0,0]=2 242 B3R0.1 PCCP MCULE-2159678577 [0,0,1,0,0,0|2,0,0]=3 243 B3R0.1 SCCBr MCULE-5899941299 [0,0,1,0,0,0|1,1,0]=3 244 B3R0.1 SCCS MCULE-8277435664 [0,0,1,0,0,0|1,1,0]=3 245 B3R0.1 [NH3+]CCS MCULE-6407472407 [0,0,1,0,0,0|1,1,0]=3 246 B3R0.1 [NH3+]CC[NH3+] MCULE-5313549416 [0,0,1,0,0,0|2,0,0]=3 247 B3R0.2 BN(C)C MCULE-2470964161 [0,0,1,0,0,0|2,0,0]=3 248 B3R0.2 BrC(Br)Br MCULE-3687875829 [0,0,1,0,0,0|3,0,0]=4 249 B3R0.2 C=C(C)Br MCULE-7805530064 [0,0,1,0,0,0|1,0,2]=4 250 B3R0.2 C=C(C)C MCULE-5640095130 [0,0,1,0,0,0|1,0,1]=3 251 B3R0.2 C=C(C)Cl MCULE-1752401095 [0,0,1,0,0,0|1,0,2]=4 252 B3R0.2 C=C(C)F MCULE-3213198231 [0,0,1,0,0,0|1,0,2]=4 253 B3R0.2 C=[N+](C)C MCULE-4450980212 [0,0,1,0,0,0|2,0,0]=3 254 B3R0.2 C=[N+](C)C MCULE-5309464837 [0,0,1,0,0,0|2,0,0]=3 255 B3R0.2 C=[N+](C)C MCULE-9321779445 [0,0,1,0,0,0|2,0,0]=3 256 B3R0.2 CB(O)O MCULE-3510763826 [0,0,1,0,0,0|2,0,0]=3 257 B3R0.2 CC(=N)N MCULE-3235425606 [0,0,1,0,0,0|2,0,1]=4 258 B3R0.2 CC(=N)N MCULE-3546679379 [0,0,1,0,0,0|2,0,1]=4 259 B3R0.2 CC(=N)N MCULE-3597638887 [0,0,1,0,0,0|2,0,1]=4 260 B3R0.2 CC(=N)N MCULE-9831274654 [0,0,1,0,0,0|2,0,1]=4 261 B3R0.2 CC(=O)Br MCULE-4892265063 [0,0,1,0,0,0|1,0,2]=4 262 B3R0.2 CC(=O)C MCULE-6679625040 [0,0,1,0,0,0|0,0,2]=3 263 B3R0.2 CC(=O)Cl MCULE-9041746362 [0,0,1,0,0,0|1,0,2]=4 264 B3R0.2 CC(=O)I MCULE-4812718701 [0,0,1,0,0,0|1,0,2]=4 265 B3R0.2 CC(=O)N MCULE-9280264861 [0,0,1,0,0,0|1,0,2]=4 266 B3R0.2 CC(=O)O MCULE-1502330578 [0,0,1,0,0,0|1,0,1]=3 267 B3R0.2 CC(=O)O MCULE-5514028500 [0,0,1,0,0,0|1,0,1]=3 268 B3R0.2 CC(=O)O MCULE-5942589566 [0,0,1,0,0,0|1,0,1]=3 269 B3R0.2 CC(=O)O MCULE-6780070129 [0,0,1,0,0,0|1,0,1]=3 270 B3R0.2 CC(=O)O MCULE-8295936189 [0,0,1,0,0,0|1,0,1]=3 271 B3R0.2 CC(=O)O MCULE-9103972283 [0,0,1,0,0,0|1,0,1]=3 272 B3R0.2 CC(=O)O MCULE-9900518424 [0,0,1,0,0,0|1,0,1]=3 273 B3R0.2 CC(=O)S MCULE-5769447035 [0,0,1,0,0,0|1,0,2]=4 274 B3R0.2 CC(=O)[O-] MCULE-2314460022 [0,0,1,0,0,0|1,0,2]=4 275 B3R0.2 CC(=O)[O-] MCULE-2960771771 [0,0,1,0,0,0|1,0,2]=4 276 B3R0.2 CC(=O)[O-] MCULE-5334052410 [0,0,1,0,0,0|1,0,2]=4 277 B3R0.2 CC(=O)[O-] MCULE-5482908386 [0,0,1,0,0,0|1,0,2]=4 278 B3R0.2 CC(=O)[O-] MCULE-9723570182 [0,0,1,0,0,0|1,0,2]=4 279 B3R0.2 CC(=O)[O-] MCULE-9910426896 [0,0,1,0,0,0|1,0,2]=4 280 B3R0.2 CC(=S)N MCULE-4635097605 [0,0,1,0,0,0|1,1,1]=4 281 B3R0.2 CC(=S)[O-] MCULE-1878530758 [0,0,1,0,0,0|1,0,2]=4 282 B3R0.2 CC(Br)Br MCULE-3156450089 [0,0,1,0,0,0|2,0,0]=3 283 B3R0.2 CC(C)Br MCULE-4068304617 [0,0,1,0,0,0|1,0,0]=2 284 B3R0.2 CC(C)C MCULE-6616676274 [0,0,1,0,0,0|1,0,0]=2 285 B3R0.2 CC(C)Cl MCULE-3190141598 [0,0,1,0,0,0|1,0,0]=2 286 B3R0.2 CC(C)F MCULE-5333357055 [0,0,1,0,0,0|1,0,0]=2 287 B3R0.2 CC(C)I MCULE-6151711033 [0,0,1,0,0,0|1,0,0]=2 288 B3R0.2 CC(C)N MCULE-1048799006 [0,0,1,0,0,0|1,0,0]=2 289 B3R0.2 CC(C)N MCULE-1125416142 [0,0,1,0,0,0|1,0,0]=2 290 B3R0.2 CC(C)N MCULE-2418429353 [0,0,1,0,0,0|1,0,0]=2 291 B3R0.2 CC(C)N MCULE-7280647435 [0,0,1,0,0,0|1,0,0]=2 292 B3R0.2 CC(C)O MCULE-6646752234 [0,0,1,0,0,0|0,0,0]=1 293 B3R0.2 CC(C)S MCULE-8283942088 [0,0,1,0,0,0|0,1,0]=2 294 B3R0.2 CC(Cl)Br MCULE-6166388747 [0,0,1,0,0,0|2,0,0]=3 295 B3R0.2 CC(Cl)Cl MCULE-2444543893 [0,0,1,0,0,0|2,0,0]=3 296 B3R0.2 CC(F)Cl MCULE-1350283946 [0,0,1,0,0,0|2,0,0]=3 297 B3R0.2 CC(F)F MCULE-1642052461 [0,0,1,0,0,0|2,0,0]=3 298 B3R0.2 CN(=O)=O MCULE-8704524604 [0,0,1,0,0,0|2,0,1]=4 299 B3R0.2 CN(C)C MCULE-5179437979 [0,0,1,0,0,0|2,0,0]=3 300 B3R0.2 CN(C)C MCULE-6816696733 [0,0,1,0,0,0|2,0,0]=3 301 B3R0.2 CN(C)C MCULE-7903544426 [0,0,1,0,0,0|2,0,0]=3 302 B3R0.2 CN(C)N MCULE-7177216911 [0,0,1,0,0,0|2,0,0]=3 303 B3R0.2 CN(C)N MCULE-8775366011 [0,0,1,0,0,0|2,0,0]=3 304 B3R0.2 CN(C)O MCULE-6572915706 [0,0,1,0,0,0|1,0,0]=2 305 B3R0.2 CN(C)O MCULE-6950647562 [0,0,1,0,0,0|1,0,0]=2 306 B3R0.2 CP(=O)C MCULE-6150886622 [0,0,1,0,0,0|1,0,1]=3 307 B3R0.2 CP(C)C MCULE-6703190251 [0,0,1,0,0,0|2,0,0]=3 308 B3R0.2 CS(=O)C MCULE-2005841258 [0,0,1,0,0,0|1,0,1]=3 309 B3R0.2 CS(=O)Cl MCULE-1292201352 [0,0,1,0,0,0|2,0,1]=4 310 B3R0.2 CS(=O)N MCULE-5162949591 [0,0,1,0,0,0|2,0,1]=4 311 B3R0.2 CS(=O)O MCULE-8711306710 [0,0,1,0,0,0|2,0,0]=3 312 B3R0.2 CS(=O)[O-] MCULE-1437194827 [0,0,1,0,0,0|2,0,1]=4 313 B3R0.2 C[Ga](C)C MCULE-6013775603 [0,0,1,0,0,0|2,0,0]=3 314 B3R0.2 C[In](C)C MCULE-1424187192 [0,0,1,0,0,0|2,0,0]=3 315 B3R0.2 C[O+](C)C MCULE-2925451414 [0,0,1,0,0,0|2,0,0]=3 316 B3R0.2 C[S+](C)Br MCULE-2734391695 [0,0,1,0,0,0|2,0,0]=3 317 B3R0.2 C[S+](C)Br MCULE-6411921824 [0,0,1,0,0,0|2,0,0]=3 318 B3R0.2 C[S+](C)C MCULE-5867625832 [0,0,1,0,0,0|2,0,0]=3 319 B3R0.2 C[S+](C)C MCULE-7678314643 [0,0,1,0,0,0|2,0,0]=3 320 B3R0.2 C[S+](C)C MCULE-8005905986 [0,0,1,0,0,0|2,0,0]=3 321 B3R0.2 C[Se](=O)C MCULE-4596040471 [0,0,1,0,0,0|1,0,1]=3 322 B3R0.2 C[Se](=O)O MCULE-5568767851 [0,0,1,0,0,0|2,0,0]=3 323 B3R0.2 ClC(Br)Br MCULE-7315486856 [0,0,1,0,0,0|3,0,0]=4 324 B3R0.2 ClC(Cl)Br MCULE-9404631495 [0,0,1,0,0,0|3,0,0]=4 325 B3R0.2 ClC(Cl)Cl MCULE-5607930311 [0,0,1,0,0,0|3,0,0]=4 326 B3R0.2 ClC(Cl)I MCULE-9232888477 [0,0,1,0,0,0|3,0,0]=4 327 B3R0.2 FC(Br)Br MCULE-4574077227 [0,0,1,0,0,0|3,0,0]=4 328 B3R0.2 FC(F)I MCULE-6704020444 [0,0,1,0,0,0|3,0,0]=4 329 B3R0.2 IC(I)I MCULE-5976787287 [0,0,1,0,0,0|3,0,0]=4 330 B3R0.2 NC(=O)O MCULE-1579038047 [0,0,1,0,0,0|2,0,1]=4 331 B3R0.2 NC(=O)O MCULE-3232812015 [0,0,1,0,0,0|2,0,1]=4 332 B3R0.2 O=C(O)O MCULE-3743781291 [0,0,1,0,0,0|2,0,1]=4 333 B3R0.2 O=C(O)O MCULE-6373078171 [0,0,1,0,0,0|2,0,1]=4 334 B3R0.2 O=C([O-])O MCULE-5529655359 [0,0,1,0,0,0|2,0,1]=4 335 B3R0.2 O=C([O-])O MCULE-7293729150 [0,0,1,0,0,0|2,0,1]=4 336 B3R0.2 O=I(=O)O MCULE-6335954469 [0,0,1,0,0,0|3,0,0]=4 337 B3R0.2 O=I(=O)O MCULE-7906123102 [0,0,1,0,0,0|3,0,0]=4 338 B3R0.2 O=N(=O)O MCULE-5926867268 [0,0,1,0,0,0|3,0,0]=4 339 B3R0.2 O=N(=O)O MCULE-8501453871 [0,0,1,0,0,0|3,0,0]=4 340 B3R0.2 O=P(=O)O MCULE-3007887617 [0,0,1,0,0,0|3,0,0]=4 341 B3R0.2 O=P(O)O MCULE-8889145943 [0,0,1,0,0,0|3,0,0]=4 342 B3R0.2 O=P([O-])O MCULE-3773885400 [0,0,1,0,0,0|3,0,0]=4 343 B3R0.2 O=P([O-])O MCULE-6745348516 [0,0,1,0,0,0|3,0,0]=4 344 B3R0.2 O=S(=O)O MCULE-7070708516 [0,0,1,0,0,0|3,0,0]=4 345 B3R0.2 O=S(O)O MCULE-3188569799 [0,0,1,0,0,0|3,0,0]=4 346 B3R0.2 O=S(O)O MCULE-7812738469 [0,0,1,0,0,0|3,0,0]=4 347 B3R0.2 O=[Se](O)O MCULE-9081277469 [0,0,1,0,0,0|3,0,0]=4 348 B3R0.2 O=[Si](O)O MCULE-3228936275 [0,0,1,0,0,0|2,1,0]=4 349 B3R0.2 OB(O)O MCULE-2905906674 [0,0,1,0,0,0|3,0,0]=4 350 B3R0.2 OB(O)O MCULE-8095091838 [0,0,1,0,0,0|3,0,0]=4 351 B3R0.2 OP(O)O MCULE-9313199709 [0,0,1,0,0,0|3,0,0]=4 352 B3R0.2 [O-]P([O-])O MCULE-1307635620 [0,0,1,0,0,0|3,0,0]=4 353 B3R0.2 [O-]P([O-])O MCULE-4722745097 [0,0,1,0,0,0|3,0,0]=4 354 B5R1.2 BrC1=CCC1 MCULE-7839710306 [0,0,0,0,0,1|2,0,1]=4 355 B5R1.2 BrC1CCC1 MCULE-3713567804 [0,0,0,0,0,1|2,0,0]=3 356 B5R1.2 BrC1CNC1 MCULE-4959282437 [0,0,0,0,0,1|2,0,0]=3 357 B5R1.2 BrC1CNC1 MCULE-5635086924 [0,0,0,0,0,1|2,0,0]=3 358 B5R1.2 BrC1CNC1 MCULE-7561312043 [0,0,0,0,0,1|2,0,0]=3 359 B5R1.2 BrC1COC1 MCULE-7527620035 [0,0,0,0,0,1|1,0,0]=2 360 B5R1.2 C=C1CCC1 MCULE-8318650413 [0,0,0,0,0,1|1,0,2]=4 361 B5R1.2 C=C1CNC1 MCULE-1391021267 [0,0,0,0,0,1|1,0,2]=4 362 B5R1.2 C=C1CNC1 MCULE-7957953185 [0,0,0,0,0,1|1,0,2]=4 363 B5R1.2 C=C1COC1 MCULE-1822645869 [0,0,0,0,0,1|0,0,2]=3 364 B5R1.2 CC1CCN1 MCULE-7952714343 [0,0,0,0,0,1|1,0,0]=2 365 B5R1.2 CC1CCN1 MCULE-9084374728 [0,0,0,0,0,1|1,0,0]=2 366 B5R1.2 CC1CNC1 MCULE-3977066574 [0,0,0,0,0,1|1,0,0]=2 367 B5R1.2 CC1CNC1 MCULE-7868611457 [0,0,0,0,0,1|1,0,0]=2 368 B5R1.2 C[C@@H]1CCN1 MCULE-1326888606 [0,0,0,0,0,1|1,0,0]=2 369 B5R1.2 C[C@@H]1CCN1 MCULE-4242598105 [0,0,0,0,0,1|1,0,0]=2 370 B5R1.2 C[C@@H]1CCN1 MCULE-7982357684 [0,0,0,0,0,1|1,0,0]=2 371 B5R1.2 C[C@@H]1CCN1 MCULE-9443505478 [0,0,0,0,0,1|1,0,0]=2 372 B5R1.2 C[C@H]1CCN1 MCULE-3178162849 [0,0,0,0,0,1|1,0,0]=2 373 B5R1.2 C[C@H]1CCN1 MCULE-4001397038 [0,0,0,0,0,1|1,0,0]=2 374 B5R1.2 C[C@H]1CCN1 MCULE-4361200248 [0,0,0,0,0,1|1,0,0]=2 375 B5R1.2 C[C@H]1CCN1 MCULE-6534579029 [0,0,0,0,0,1|1,0,0]=2 376 B5R1.2 ClC1CCC1 MCULE-2602937313 [0,0,0,0,0,1|2,0,0]=3 377 B5R1.2 ClC1CNC1 MCULE-2051705029 [0,0,0,0,0,1|2,0,0]=3 378 B5R1.2 ClC1CNC1 MCULE-6678325694 [0,0,0,0,0,1|2,0,0]=3 379 B5R1.2 ClC1COC1 MCULE-7266812470 [0,0,0,0,0,1|1,0,0]=2 380 B5R1.2 FC1CNC1 MCULE-5746598794 [0,0,0,0,0,1|2,0,0]=3 381 B5R1.2 FC1CNC1 MCULE-9427948721 [0,0,0,0,0,1|2,0,0]=3 382 B5R1.2 FC1COC1 MCULE-7899811313 [0,0,0,0,0,1|1,0,0]=2 383 B5R1.2 IC1CCC1 MCULE-3890796264 [0,0,0,0,0,1|2,0,0]=3 384 B5R1.2 IC1CNC1 MCULE-5957681014 [0,0,0,0,0,1|2,0,0]=3 385 B5R1.2 IC1CNC1 MCULE-7396587981 [0,0,0,0,0,1|2,0,0]=3 386 B5R1.2 IC1COC1 MCULE-6736781201 [0,0,0,0,0,1|1,0,0]=2 387 B5R1.2 NC1CCC1 MCULE-7511834789 [0,0,0,0,0,1|2,0,0]=3 388 B5R1.2 NC1CCC1 MCULE-9118406840 [0,0,0,0,0,1|2,0,0]=3 389 B5R1.2 NC1CNC1 MCULE-3069271350 [0,0,0,0,0,1|2,0,0]=3 390 B5R1.2 NC1CNC1 MCULE-4785323807 [0,0,0,0,0,1|2,0,0]=3 391 B5R1.2 NC1COC1 MCULE-3457998413 [0,0,0,0,0,1|1,0,0]=2 392 B5R1.2 NC1COC1 MCULE-8439862131 [0,0,0,0,0,1|1,0,0]=2 393 B5R1.2 NC1CSC1 MCULE-8155396913 [0,0,0,0,0,1|1,1,0]=3 394 B5R1.2 NC1CSC1 MCULE-8463545676 [0,0,0,0,0,1|1,1,0]=3 395 B5R1.2 NC1CSC1 MCULE-8920812656 [0,0,0,0,0,1|1,1,0]=3 396 B5R1.2 NN1CCC1 MCULE-8176731673 [0,0,0,0,0,1|3,0,0]=4 397 B5R1.2 NN1CCC1 MCULE-8382619719 [0,0,0,0,0,1|3,0,0]=4 398 B5R1.2 O=C1CCC1 MCULE-4870967355 [0,0,0,0,0,1|2,0,1]=4 399 B5R1.2 O=C1CCN1 MCULE-9053067221 [0,0,0,0,0,1|2,0,1]=4 400 B5R1.2 O=C1CCO1 MCULE-1277069147 [0,0,0,0,0,1|1,0,1]=3 401 B5R1.2 O=C1CNC1 MCULE-5171659870 [0,0,0,0,0,1|2,0,1]=4 402 B5R1.2 O=C1CNC1 MCULE-8293494956 [0,0,0,0,0,1|2,0,1]=4 403 B5R1.2 O=C1COC1 MCULE-6847248632 [0,0,0,0,0,1|1,0,1]=3 404 B5R1.2 O=C1CSC1 MCULE-4436071261 [0,0,0,0,0,1|1,1,1]=4 405 B5R1.2 OC1CCC1 MCULE-2856311430 [0,0,0,0,0,1|2,0,0]=3 406 B5R1.2 OC1CNC1 MCULE-3596383447 [0,0,0,0,0,1|2,0,0]=3 407 B5R1.2 OC1CNC1 MCULE-7913518128 [0,0,0,0,0,1|2,0,0]=3 408 B5R1.2 OC1COC1 MCULE-2630355859 [0,0,0,0,0,1|1,0,0]=2 409 B5R1.2 OC1CSC1 MCULE-6759275460 [0,0,0,0,0,1|1,1,0]=3 410 B5R1.2 SC1CCC1 MCULE-1779239394 [0,0,0,0,0,1|2,0,0]=3 411 B5R1.2 SC1CNC1 MCULE-5823473779 [0,0,0,0,0,1|2,0,0]=3 412 B5R1.2 SC1CNC1 MCULE-9002536698 [0,0,0,0,0,1|2,0,0]=3 413 B5R1.2 SC1COC1 MCULE-2175099379 [0,0,0,0,0,1|1,0,0]=2 414 B2R0.1 BrCBr MCULE-5148445055 [1,0,1,0,0,0|2,0,0]=4 415 B2R0.1 BrCI MCULE-5427209261 [1,0,1,0,0,0|2,0,0]=4 416 B2R0.1 C#CC MCULE-8346460782 [1,0,1,0,0,0|0,0,2]=4 417 B2R0.1 C=CC MCULE-5223715076 [1,0,1,0,0,0|0,0,2]=4 418 B2R0.1 C=CO MCULE-8167566239 [1,0,1,0,0,0|0,0,2]=4 419 B2R0.1 C=NO MCULE-1312312591 [1,0,1,0,0,0|1,0,1]=4 420 B2R0.1 C=NO MCULE-7599902650 [1,0,1,0,0,0|1,0,1]=4 421 B2R0.1 CC#N MCULE-8803543318 [1,0,1,0,0,0|1,0,1]=4 422 B2R0.1 CC=O MCULE-6002254510 [1,0,1,0,0,0|0,0,2]=4 423 B2R0.1 CC=O MCULE-6800925955 [1,0,1,0,0,0|0,0,2]=4 424 B2R0.1 CCBr MCULE-9840669634 [1,0,1,0,0,0|1,0,0]=3 425 B2R0.1 CCC MCULE-7179517367 [1,0,1,0,0,0|0,0,0]=2 426 B2R0.1 CCCl MCULE-8087909182 [1,0,1,0,0,0|1,0,0]=3 427 B2R0.1 CCI MCULE-9405436513 [1,0,1,0,0,0|1,0,0]=3 428 B2R0.1 CCN MCULE-1774065508 [1,0,1,0,0,0|1,0,0]=3 429 B2R0.1 CCN MCULE-5999638632 [1,0,1,0,0,0|1,0,0]=3 430 B2R0.1 CCN MCULE-6233823811 [1,0,1,0,0,0|1,0,0]=3 431 B2R0.1 CCN MCULE-6444557204 [1,0,1,0,0,0|1,0,0]=3 432 B2R0.1 CCO MCULE-8818474596 [1,0,1,0,0,0|0,0,0]=2 433 B2R0.1 CCS MCULE-5717309901 [1,0,1,0,0,0|0,1,0]=3 434 B2R0.1 CNC MCULE-2809467532 [1,0,1,0,0,0|1,0,0]=3 435 B2R0.1 CNN MCULE-6163742401 [1,0,1,0,0,0|2,0,0]=4 436 B2R0.1 CNN MCULE-7217348217 [1,0,1,0,0,0|2,0,0]=4 437 B2R0.1 CNN MCULE-9086529736 [1,0,1,0,0,0|2,0,0]=4 438 B2R0.1 CNO MCULE-5310203084 [1,0,1,0,0,0|1,0,0]=3 439 B2R0.1 CNO MCULE-7072005453 [1,0,1,0,0,0|1,0,0]=3 440 B2R0.1 COC MCULE-4385003255 [1,0,1,0,0,0|0,0,0]=2 441 B2R0.1 CON MCULE-1068458971 [1,0,1,0,0,0|1,0,0]=3 442 B2R0.1 CON MCULE-8687558307 [1,0,1,0,0,0|1,0,0]=3 443 B2R0.1 CO[NH3+] MCULE-6631452734 [1,0,1,0,0,0|1,0,0]=3 444 B2R0.1 CO[NH3+] MCULE-9975010969 [1,0,1,0,0,0|1,0,0]=3 445 B2R0.1 CSC MCULE-4525381422 [1,0,1,0,0,0|0,1,0]=3 446 B2R0.1 C[Se]C MCULE-5369504805 [1,0,1,0,0,0|0,1,0]=3 447 B2R0.1 ClCBr MCULE-5030719866 [1,0,1,0,0,0|2,0,0]=4 448 B2R0.1 ClCCl MCULE-1114735075 [1,0,1,0,0,0|2,0,0]=4 449 B2R0.1 ClCI MCULE-1762372626 [1,0,1,0,0,0|2,0,0]=4 450 B2R0.1 FCF MCULE-9775386185 [1,0,1,0,0,0|2,0,0]=4 451 B2R0.1 FCI MCULE-4283244074 [1,0,1,0,0,0|2,0,0]=4 452 B2R0.1 ICI MCULE-8023612181 [1,0,1,0,0,0|2,0,0]=4 453 B2R0.1 N#CO MCULE-7459250889 [1,0,1,0,0,0|1,0,1]=4 454 B2R0.1 NCN MCULE-1911584441 [1,0,1,0,0,0|2,0,0]=4 455 B2R0.1 NCN MCULE-5032116024 [1,0,1,0,0,0|2,0,0]=4 456 B2R0.1 O=BO MCULE-1752281859 [1,0,1,0,0,0|2,0,0]=4 457 B2R0.1 O=CO MCULE-7175589186 [1,0,1,0,0,0|1,0,1]=4 458 B2R0.1 O=NO MCULE-6927518919 [1,0,1,0,0,0|2,0,0]=4 459 B2R0.1 O=PO MCULE-5287418544 [1,0,1,0,0,0|2,0,0]=4 460 B2R0.1 OBO MCULE-8455181481 [1,0,1,0,0,0|2,0,0]=4 461 B2R0.1 OPO MCULE-1346196691 [1,0,1,0,0,0|2,0,0]=4 462 B2R0.1 OPO MCULE-5673098193 [1,0,1,0,0,0|2,0,0]=4 463 B2R0.1 [O-]PO MCULE-2811495269 [1,0,1,0,0,0|2,0,0]=4 464 B2R0.1 [O-]PO MCULE-6918966731 [1,0,1,0,0,0|2,0,0]=4 465 B4R0.1 BrCC(Br)Br MCULE-1904439252 [0,1,1,0,0,0|2,0,0]=4 466 B4R0.1 C#CC(C)Br MCULE-6701225038 [0,1,1,0,0,0|1,0,1]=4 467 B4R0.1 C#CC(C)C MCULE-4600802925 [0,1,1,0,0,0|1,0,1]=4 468 B4R0.1 C#CC(C)Cl MCULE-2069451312 [0,1,1,0,0,0|1,0,1]=4 469 B4R0.1 C#CC(C)N MCULE-5174459541 [0,1,1,0,0,0|1,0,1]=4 470 B4R0.1 C#CC(C)N MCULE-7552261137 [0,1,1,0,0,0|1,0,1]=4 471 B4R0.1 C#CC(C)N MCULE-8458008104 [0,1,1,0,0,0|1,0,1]=4 472 B4R0.1 C#CC(C)N MCULE-8872781976 [0,1,1,0,0,0|1,0,1]=4 473 B4R0.1 C#CC(C)O MCULE-6692690957 [0,1,1,0,0,0|0,0,2]=4 474 B4R0.1 C#CC(C)O MCULE-8115962170 [0,1,1,0,0,0|0,0,2]=4 475 B4R0.1 C#C[C@@H](C)N MCULE-1688945745 [0,1,1,0,0,0|1,0,1]=4 476 B4R0.1 C#C[C@@H](C)N MCULE-2648127023 [0,1,1,0,0,0|1,0,1]=4 477 B4R0.1 C#C[C@@H](C)N MCULE-4450167680 [0,1,1,0,0,0|1,0,1]=4 478 B4R0.1 C#C[C@@H](C)N MCULE-5940189329 [0,1,1,0,0,0|1,0,1]=4 479 B4R0.1 C#C[C@@H](C)O MCULE-3014030718 [0,1,1,0,0,0|0,0,2]=4 480 B4R0.1 C#C[C@@H](C)O MCULE-5925379513 [0,1,1,0,0,0|0,0,2]=4 481 B4R0.1 C#C[C@H](C)N MCULE-1256303297 [0,1,1,0,0,0|1,0,1]=4 482 B4R0.1 C#C[C@H](C)N MCULE-4223264163 [0,1,1,0,0,0|1,0,1]=4 483 B4R0.1 C#C[C@H](C)N MCULE-9450573338 [0,1,1,0,0,0|1,0,1]=4 484 B4R0.1 C#C[C@H](C)N MCULE-9795039145 [0,1,1,0,0,0|1,0,1]=4 485 B4R0.1 C#C[C@H](C)O MCULE-3264536845 [0,1,1,0,0,0|0,0,2]=4 486 B4R0.1 C(C)(N)CN MCULE-5877041140 [0,1,1,0,0,0|1,0,0]=3 487 B4R0.1 C(C)(N)CO MCULE-5844242932 [0,1,1,0,0,0|0,0,0]=2 488 B4R0.1 C/C(=N/O)/N MCULE-5595239824 [0,1,1,0,0,0|1,0,1]=4 489 B4R0.1 C/C(=N\O)/N MCULE-8004142092 [0,1,1,0,0,0|1,0,1]=4 490 B4R0.1 C/C=C(/C)\Cl MCULE-6841426098 [0,1,1,0,0,0|1,0,1]=4 491 B4R0.1 C/C=C(\C)/Br MCULE-3045523462 [0,1,1,0,0,0|1,0,1]=4 492 B4R0.1 C/C=C(\C)/Cl MCULE-4683862502 [0,1,1,0,0,0|1,0,1]=4 493 B4R0.1 C=C(Br)CC MCULE-6271946451 [0,1,1,0,0,0|1,0,1]=4 494 B4R0.1 C=C(Br)CO MCULE-7763893047 [0,1,1,0,0,0|0,0,2]=4 495 B4R0.1 C=C(C)CBr MCULE-1361893863 [0,1,1,0,0,0|1,0,1]=4 496 B4R0.1 C=C(C)CCl MCULE-5586406339 [0,1,1,0,0,0|1,0,1]=4 497 B4R0.1 C=C(C)CI MCULE-3678124406 [0,1,1,0,0,0|1,0,1]=4 498 B4R0.1 C=C(C)CN MCULE-1033495975 [0,1,1,0,0,0|1,0,1]=4 499 B4R0.1 C=C(C)CN MCULE-8730181300 [0,1,1,0,0,0|1,0,1]=4 500 B4R0.1 C=C(C)CO MCULE-8641288398 [0,1,1,0,0,0|0,0,1]=3 501 B4R0.1 C=C(C)CS MCULE-5174170431 [0,1,1,0,0,0|0,1,1]=4 502 B4R0.1 C=C(C)OC MCULE-7344104255 [0,1,1,0,0,0|0,0,1]=3 503 B4R0.1 C=C(Cl)CO MCULE-8813337564 [0,1,1,0,0,0|0,0,2]=4 504 B4R0.1 C=C(F)CO MCULE-2779963696 [0,1,1,0,0,0|0,0,2]=4 505 B4R0.1 C=C(I)CO MCULE-2533897125 [0,1,1,0,0,0|0,0,2]=4 506 B4R0.1 C=CC(C)Cl MCULE-1756172983 [0,1,1,0,0,0|1,0,1]=4 507 B4R0.1 C=CC(C)N MCULE-5748048106 [0,1,1,0,0,0|1,0,1]=4 508 B4R0.1 C=CC(C)N MCULE-6786590923 [0,1,1,0,0,0|1,0,1]=4 509 B4R0.1 C=CC(C)O MCULE-4525368256 [0,1,1,0,0,0|0,0,2]=4 510 B4R0.1 C=C[C@@H](C)N MCULE-4388444035 [0,1,1,0,0,0|1,0,1]=4 511 B4R0.1 C=C[C@@H](C)N MCULE-6107415849 [0,1,1,0,0,0|1,0,1]=4 512 B4R0.1 C=C[C@@H](C)N MCULE-6707490046 [0,1,1,0,0,0|1,0,1]=4 513 B4R0.1 C=C[C@@H](C)N MCULE-9654995108 [0,1,1,0,0,0|1,0,1]=4 514 B4R0.1 C=C[C@H](C)N MCULE-1396113041 [0,1,1,0,0,0|1,0,1]=4 515 B4R0.1 C=C[C@H](C)N MCULE-2197513722 [0,1,1,0,0,0|1,0,1]=4 516 B4R0.1 C=C[C@H](C)N MCULE-4698235480 [0,1,1,0,0,0|1,0,1]=4 517 B4R0.1 C=C[C@H](C)N MCULE-8745929233 [0,1,1,0,0,0|1,0,1]=4 518 B4R0.1 C=C[C@H](C)O MCULE-2251589245 [0,1,1,0,0,0|0,0,2]=4 519 B4R0.1 CC(=NO)C MCULE-3243100216 [0,1,1,0,0,0|1,0,1]=4 520 B4R0.1 CC(=O)CBr MCULE-7812920675 [0,1,1,0,0,0|1,0,1]=4 521 B4R0.1 CC(=O)CCl MCULE-2501365933 [0,1,1,0,0,0|1,0,1]=4 522 B4R0.1 CC(=O)CF MCULE-7417279999 [0,1,1,0,0,0|1,0,1]=4 523 B4R0.1 CC(=O)CN MCULE-2715277783 [0,1,1,0,0,0|1,0,1]=4 524 B4R0.1 CC(=O)CN MCULE-6004541862 [0,1,1,0,0,0|1,0,1]=4 525 B4R0.1 CC(=O)CO MCULE-2989526028 [0,1,1,0,0,0|0,0,1]=3 526 B4R0.1 CC(=O)CS MCULE-9736174016 [0,1,1,0,0,0|0,1,1]=4 527 B4R0.1 CC(=O)NO MCULE-2682231025 [0,1,1,0,0,0|1,0,1]=4 528 B4R0.1 CC(=O)OO MCULE-6028338742 [0,1,1,0,0,0|1,0,1]=4 529 B4R0.1 CC(Br)C#N MCULE-2994851090 [0,1,1,0,0,0|1,0,1]=4 530 B4R0.1 CC(Br)C=O MCULE-6060704330 [0,1,1,0,0,0|0,0,2]=4 531 B4R0.1 CC(Br)CBr MCULE-6304574748 [0,1,1,0,0,0|1,0,0]=3 532 B4R0.1 CC(Br)CCl MCULE-8021380791 [0,1,1,0,0,0|1,0,0]=3 533 B4R0.1 CC(Br)CN MCULE-5214613046 [0,1,1,0,0,0|1,0,0]=3 534 B4R0.1 CC(Br)CN MCULE-6326218362 [0,1,1,0,0,0|1,0,0]=3 535 B4R0.1 CC(Br)CO MCULE-8344365003 [0,1,1,0,0,0|0,0,0]=2 536 B4R0.1 CC(C)C#N MCULE-8390118776 [0,1,1,0,0,0|1,0,1]=4 537 B4R0.1 CC(C)C=O MCULE-3575731904 [0,1,1,0,0,0|0,0,2]=4 538 B4R0.1 CC(C)CBr MCULE-6039420480 [0,1,1,0,0,0|1,0,0]=3 539 B4R0.1 CC(C)CCl MCULE-6524976746 [0,1,1,0,0,0|1,0,0]=3 540 B4R0.1 CC(C)CI MCULE-5280589461 [0,1,1,0,0,0|1,0,0]=3 541 B4R0.1 CC(C)CN MCULE-2158650588 [0,1,1,0,0,0|1,0,0]=3 542 B4R0.1 CC(C)CN MCULE-6751437658 [0,1,1,0,0,0|1,0,0]=3 543 B4R0.1 CC(C)CN MCULE-8319193456 [0,1,1,0,0,0|1,0,0]=3 544 B4R0.1 CC(C)CN MCULE-8705657065 [0,1,1,0,0,0|1,0,0]=3 545 B4R0.1 CC(C)CO MCULE-6294327194 [0,1,1,0,0,0|0,0,0]=2 546 B4R0.1 CC(C)CP MCULE-3724358658 [0,1,1,0,0,0|1,0,0]=3 547 B4R0.1 CC(C)CS MCULE-7978911055 [0,1,1,0,0,0|0,1,0]=3 548 B4R0.1 CC(C)NN MCULE-4673953224 [0,1,1,0,0,0|2,0,0]=4 549 B4R0.1 CC(C)NN MCULE-7901160798 [0,1,1,0,0,0|2,0,0]=4 550 B4R0.1 CC(C)NN MCULE-9473118288 [0,1,1,0,0,0|2,0,0]=4 551 B4R0.1 CC(C)NO MCULE-6516566403 [0,1,1,0,0,0|1,0,0]=3 552 B4R0.1 CC(C)NO MCULE-8545146035 [0,1,1,0,0,0|1,0,0]=3 553 B4R0.1 CC(C)ON MCULE-4063407094 [0,1,1,0,0,0|1,0,0]=3 554 B4R0.1 CC(C)ON MCULE-9108231771 [0,1,1,0,0,0|1,0,0]=3 555 B4R0.1 CC(C)O[NH3+] MCULE-7527132972 [0,1,1,0,0,0|1,0,0]=3 556 B4R0.1 CC(C)O[NH3+] MCULE-8847326857 [0,1,1,0,0,0|1,0,0]=3 557 B4R0.1 CC(Cl)C#N MCULE-9841634909 [0,1,1,0,0,0|1,0,1]=4 558 B4R0.1 CC(Cl)CBr MCULE-8474943880 [0,1,1,0,0,0|1,0,0]=3 559 B4R0.1 CC(Cl)CCl MCULE-1548912109 [0,1,1,0,0,0|1,0,0]=3 560 B4R0.1 CC(Cl)CN MCULE-2637316379 [0,1,1,0,0,0|1,0,0]=3 561 B4R0.1 CC(Cl)CN MCULE-5591419030 [0,1,1,0,0,0|1,0,0]=3 562 B4R0.1 CC(Cl)CO MCULE-3857255988 [0,1,1,0,0,0|0,0,0]=2 563 B4R0.1 CC(Cl)CO MCULE-7538548427 [0,1,1,0,0,0|0,0,0]=2 564 B4R0.1 CC(F)CN MCULE-6584490651 [0,1,1,0,0,0|1,0,0]=3 565 B4R0.1 CC(F)CN MCULE-9499916116 [0,1,1,0,0,0|1,0,0]=3 566 B4R0.1 CC(F)CO MCULE-6006763378 [0,1,1,0,0,0|0,0,0]=2 567 B4R0.1 CC(N)C#N MCULE-4008524363 [0,1,1,0,0,0|1,0,1]=4 568 B4R0.1 CC(N)C#N MCULE-8654767875 [0,1,1,0,0,0|1,0,1]=4 569 B4R0.1 CC(N)C=O MCULE-3421118418 [0,1,1,0,0,0|0,0,2]=4 570 B4R0.1 CC(N)CBr MCULE-1783493149 [0,1,1,0,0,0|1,0,0]=3 571 B4R0.1 CC(N)CBr MCULE-2775398297 [0,1,1,0,0,0|1,0,0]=3 572 B4R0.1 CC(N)CCl MCULE-8652434595 [0,1,1,0,0,0|1,0,0]=3 573 B4R0.1 CC(N)CCl MCULE-9580466630 [0,1,1,0,0,0|1,0,0]=3 574 B4R0.1 CC(N)CF MCULE-1603143200 [0,1,1,0,0,0|1,0,0]=3 575 B4R0.1 CC(N)CF MCULE-3787216870 [0,1,1,0,0,0|1,0,0]=3 576 B4R0.1 CC(N)CF MCULE-4138869746 [0,1,1,0,0,0|1,0,0]=3 577 B4R0.1 CC(N)CF MCULE-8611760275 [0,1,1,0,0,0|1,0,0]=3 578 B4R0.1 CC(N)CN MCULE-2119036110 [0,1,1,0,0,0|1,0,0]=3 579 B4R0.1 CC(N)CN MCULE-6286216576 [0,1,1,0,0,0|1,0,0]=3 580 B4R0.1 CC(N)CN MCULE-9919433465 [0,1,1,0,0,0|1,0,0]=3 581 B4R0.1 CC(N)CO MCULE-1361379423 [0,1,1,0,0,0|0,0,0]=2 582 B4R0.1 CC(N)CO MCULE-2098440985 [0,1,1,0,0,0|0,0,0]=2 583 B4R0.1 CC(N)CS MCULE-1396853557 [0,1,1,0,0,0|0,1,0]=3 584 B4R0.1 CC(N)CS MCULE-4094732666 [0,1,1,0,0,0|0,1,0]=3 585 B4R0.1 CC(O)C#N MCULE-3166802314 [0,1,1,0,0,0|1,0,1]=4 586 B4R0.1 CC(O)CBr MCULE-7835094737 [0,1,1,0,0,0|1,0,0]=3 587 B4R0.1 CC(O)CCl MCULE-9140807958 [0,1,1,0,0,0|1,0,0]=3 588 B4R0.1 CC(O)CF MCULE-1023052065 [0,1,1,0,0,0|1,0,0]=3 589 B4R0.1 CC(O)CN MCULE-4370440652 [0,1,1,0,0,0|1,0,0]=3 590 B4R0.1 CC(O)CN MCULE-5694317743 [0,1,1,0,0,0|1,0,0]=3 591 B4R0.1 CC(O)CN MCULE-6406041538 [0,1,1,0,0,0|1,0,0]=3 592 B4R0.1 CC(O)CN MCULE-6636652305 [0,1,1,0,0,0|1,0,0]=3 593 B4R0.1 CC(O)CO MCULE-5574440784 [0,1,1,0,0,0|0,0,0]=2 594 B4R0.1 CC(O)CO MCULE-8743139013 [0,1,1,0,0,0|0,0,0]=2 595 B4R0.1 CC(O)CS MCULE-7881083356 [0,1,1,0,0,0|0,1,0]=3 596 B4R0.1 CC(O)C[NH3+] MCULE-6871369474 [0,1,1,0,0,0|1,0,0]=3 597 B4R0.1 CC(S)CN MCULE-1957568322 [0,1,1,0,0,0|1,0,0]=3 598 B4R0.1 CC(S)CN MCULE-7469442412 [0,1,1,0,0,0|1,0,0]=3 599 B4R0.1 CC(S)CO MCULE-5090908062 [0,1,1,0,0,0|0,0,0]=2 600 B4R0.1 CC(S)CS MCULE-9264694858 [0,1,1,0,0,0|0,1,0]=3 601 B4R0.1 CC=C(C)Br MCULE-1371905211 [0,1,1,0,0,0|1,0,1]=4 602 B4R0.1 CC=C(C)C MCULE-4230157245 [0,1,1,0,0,0|1,0,1]=4 603 B4R0.1 CC=C(C)Cl MCULE-3844314543 [0,1,1,0,0,0|1,0,1]=4 604 B4R0.1 CCB(O)O MCULE-1650960999 [0,1,1,0,0,0|1,0,0]=3 605 B4R0.1 CCC(=N)N MCULE-1856575742 [0,1,1,0,0,0|1,0,1]=4 606 B4R0.1 CCC(=N)N MCULE-2534386807 [0,1,1,0,0,0|1,0,1]=4 607 B4R0.1 CCC(=O)Br MCULE-7870678619 [0,1,1,0,0,0|0,0,2]=4 608 B4R0.1 CCC(=O)C MCULE-8276670748 [0,1,1,0,0,0|1,0,0]=3 609 B4R0.1 CCC(=O)Cl MCULE-3081874391 [0,1,1,0,0,0|0,0,2]=4 610 B4R0.1 CCC(=O)F MCULE-8783887670 [0,1,1,0,0,0|0,0,2]=4 611 B4R0.1 CCC(=O)N MCULE-3730796130 [0,1,1,0,0,0|0,0,2]=4 612 B4R0.1 CCC(=O)O MCULE-2199051150 [0,1,1,0,0,0|0,0,1]=3 613 B4R0.1 CCC(=O)O MCULE-9800054040 [0,1,1,0,0,0|0,0,1]=3 614 B4R0.1 CCC(=O)S MCULE-3392119766 [0,1,1,0,0,0|0,0,2]=4 615 B4R0.1 CCC(=O)[O-] MCULE-6321502767 [0,1,1,0,0,0|0,0,2]=4 616 B4R0.1 CCC(=S)N MCULE-3921479699 [0,1,1,0,0,0|0,1,1]=4 617 B4R0.1 CCC(C)Br MCULE-9661620259 [0,1,1,0,0,0|1,0,0]=3 618 B4R0.1 CCC(C)C MCULE-5376105936 [0,1,1,0,0,0|1,0,0]=3 619 B4R0.1 CCC(C)Cl MCULE-2954418486 [0,1,1,0,0,0|1,0,0]=3 620 B4R0.1 CCC(C)I MCULE-5239699587 [0,1,1,0,0,0|1,0,0]=3 621 B4R0.1 CCC(C)N MCULE-5041676035 [0,1,1,0,0,0|1,0,0]=3 622 B4R0.1 CCC(C)N MCULE-5835091553 [0,1,1,0,0,0|1,0,0]=3 623 B4R0.1 CCC(C)N MCULE-6631606230 [0,1,1,0,0,0|1,0,0]=3 624 B4R0.1 CCC(C)N MCULE-8165681721 [0,1,1,0,0,0|1,0,0]=3 625 B4R0.1 CCC(C)O MCULE-4099350806 [0,1,1,0,0,0|0,0,0]=2 626 B4R0.1 CCC(C)O MCULE-5005120003 [0,1,1,0,0,0|0,0,0]=2 627 B4R0.1 CCC(C)S MCULE-4988033753 [0,1,1,0,0,0|0,1,0]=3 628 B4R0.1 CCN(=O)=O MCULE-6603591614 [0,1,1,0,0,0|1,0,1]=4 629 B4R0.1 CCN(C)C MCULE-5825033552 [0,1,1,0,0,0|1,0,0]=3 630 B4R0.1 CCN(C)N MCULE-2279492356 [0,1,1,0,0,0|1,0,0]=3 631 B4R0.1 CCN(C)N MCULE-5660338703 [0,1,1,0,0,0|1,0,0]=3 632 B4R0.1 CCN(C)N MCULE-9839987578 [0,1,1,0,0,0|1,0,0]=3 633 B4R0.1 CCS(=O)C MCULE-4400935745 [0,1,1,0,0,0|0,1,0]=3 634 B4R0.1 CCS(=O)O MCULE-9872932319 [0,1,1,0,0,0|1,0,0]=3 635 B4R0.1 CCS(=O)[O-] MCULE-4386198822 [0,1,1,0,0,0|1,0,1]=4 636 B4R0.1 CC[C@@H](C)N MCULE-2017255826 [0,1,1,0,0,0|1,0,0]=3 637 B4R0.1 CC[C@@H](C)N MCULE-3555707512 [0,1,1,0,0,0|1,0,0]=3 638 B4R0.1 CC[C@@H](C)N MCULE-6783735598 [0,1,1,0,0,0|1,0,0]=3 639 B4R0.1 CC[C@@H](C)N MCULE-7004219201 [0,1,1,0,0,0|1,0,0]=3 640 B4R0.1 CC[C@@H](C)O MCULE-2661481448 [0,1,1,0,0,0|0,0,0]=2 641 B4R0.1 CC[C@@H](C)O MCULE-6785232833 [0,1,1,0,0,0|0,0,0]=2 642 B4R0.1 CC[C@H](C)N MCULE-2450201533 [0,1,1,0,0,0|1,0,0]=3 643 B4R0.1 CC[C@H](C)N MCULE-2998961427 [0,1,1,0,0,0|1,0,0]=3 644 B4R0.1 CC[C@H](C)N MCULE-6692190471 [0,1,1,0,0,0|1,0,0]=3 645 B4R0.1 CC[C@H](C)N MCULE-6904795465 [0,1,1,0,0,0|1,0,0]=3 646 B4R0.1 CC[C@H](C)O MCULE-3700911573 [0,1,1,0,0,0|0,0,0]=2 647 B4R0.1 CC[C@H](C)O MCULE-6063716138 [0,1,1,0,0,0|0,0,0]=2 648 B4R0.1 CN(C)CCl MCULE-4906480184 [0,1,1,0,0,0|2,0,0]=4 649 B4R0.1 CN(C)CCl MCULE-5465672480 [0,1,1,0,0,0|2,0,0]=4 650 B4R0.1 CNC(=O)C MCULE-2612997941 [0,1,1,0,0,0|1,0,1]=4 651 B4R0.1 CNC(=S)C MCULE-8699171591 [0,1,1,0,0,0|1,0,1]=4 652 B4R0.1 CNC(C)C MCULE-3849513543 [0,1,1,0,0,0|1,0,0]=3 653 B4R0.1 CNN(C)C MCULE-7120869955 [0,1,1,0,0,0|2,0,0]=4 654 B4R0.1 CNN(C)C MCULE-8318926099 [0,1,1,0,0,0|2,0,0]=4 655 B4R0.1 COC(=N)C MCULE-2752794913 [0,1,1,0,0,0|0,0,1]=3 656 B4R0.1 COC(=N)C MCULE-2904991083 [0,1,1,0,0,0|0,0,1]=3 657 B4R0.1 COC(=N)N MCULE-1611076737 [0,1,1,0,0,0|1,0,1]=4 658 B4R0.1 COC(=N)N MCULE-4923904579 [0,1,1,0,0,0|1,0,1]=4 659 B4R0.1 COC(=N)N MCULE-6696789855 [0,1,1,0,0,0|1,0,1]=4 660 B4R0.1 COC(=N)N MCULE-9171600210 [0,1,1,0,0,0|1,0,1]=4 661 B4R0.1 COC(=O)C MCULE-7368066093 [0,1,1,0,0,0|0,0,1]=3 662 B4R0.1 COC(=O)Cl MCULE-8022274771 [0,1,1,0,0,0|1,0,1]=4 663 B4R0.1 COC(=O)N MCULE-4070607369 [0,1,1,0,0,0|1,0,1]=4 664 B4R0.1 COC(=S)N MCULE-9414558443 [0,1,1,0,0,0|1,0,1]=4 665 B4R0.1 COC(=S)[S-] MCULE-4829872223 [0,1,1,0,0,0|1,0,1]=4 666 B4R0.1 COC(=S)[S-] MCULE-6509496630 [0,1,1,0,0,0|1,0,1]=4 667 B4R0.1 COC(C)Cl MCULE-9043930044 [0,1,1,0,0,0|0,0,0]=2 668 B4R0.1 COC(Cl)Cl MCULE-7296291650 [0,1,1,0,0,0|1,0,0]=3 669 B4R0.1 COP(Cl)Cl MCULE-5269746171 [0,1,1,0,0,0|2,0,0]=4 670 B4R0.1 CSC(=O)C MCULE-7061634598 [0,1,1,0,0,0|0,1,1]=4 671 B4R0.1 CSC(=S)C MCULE-4836153374 [0,1,1,0,0,0|0,1,1]=4 672 B4R0.1 CSC(C)C MCULE-5932565699 [0,1,1,0,0,0|0,1,0]=3 673 B4R0.1 CSS(=O)C MCULE-6515592458 [0,1,1,0,0,0|1,1,0]=4 674 B4R0.1 CS[S+](C)C MCULE-1869043585 [0,1,1,0,0,0|1,1,0]=4 675 B4R0.1 CS[S+](C)C MCULE-4164877790 [0,1,1,0,0,0|1,1,0]=4 676 B4R0.1 C[C@@H](Cl)CO MCULE-4834664531 [0,1,1,0,0,0|0,0,0]=2 677 B4R0.1 C[C@@H](Cl)CO MCULE-8797955903 [0,1,1,0,0,0|0,0,0]=2 678 B4R0.1 C[C@@H](F)CO MCULE-3312305972 [0,1,1,0,0,0|0,0,0]=2 679 B4R0.1 C[C@@H](F)CO MCULE-4754825872 [0,1,1,0,0,0|0,0,0]=2 680 B4R0.1 C[C@@H](N)C#N MCULE-4366493733 [0,1,1,0,0,0|1,0,1]=4 681 B4R0.1 C[C@@H](N)C#N MCULE-4475438132 [0,1,1,0,0,0|1,0,1]=4 682 B4R0.1 C[C@@H](N)C#N MCULE-8152568021 [0,1,1,0,0,0|1,0,1]=4 683 B4R0.1 C[C@@H](N)C#N MCULE-9327848803 [0,1,1,0,0,0|1,0,1]=4 684 B4R0.1 C[C@@H](N)CF MCULE-2227343602 [0,1,1,0,0,0|1,0,0]=3 685 B4R0.1 C[C@@H](N)CF MCULE-2283243747 [0,1,1,0,0,0|1,0,0]=3 686 B4R0.1 C[C@@H](N)CF MCULE-6326763354 [0,1,1,0,0,0|1,0,0]=3 687 B4R0.1 C[C@@H](N)CF MCULE-6630824972 [0,1,1,0,0,0|1,0,0]=3 688 B4R0.1 C[C@@H](N)CN MCULE-5207840256 [0,1,1,0,0,0|1,0,0]=3 689 B4R0.1 C[C@@H](N)CN MCULE-5332214014 [0,1,1,0,0,0|1,0,0]=3 690 B4R0.1 C[C@@H](N)CN MCULE-7816211809 [0,1,1,0,0,0|1,0,0]=3 691 B4R0.1 C[C@@H](N)CN MCULE-7982492466 [0,1,1,0,0,0|1,0,0]=3 692 B4R0.1 C[C@@H](N)CO MCULE-5655560645 [0,1,1,0,0,0|0,0,0]=2 693 B4R0.1 C[C@@H](N)CO MCULE-8066658004 [0,1,1,0,0,0|0,0,0]=2 694 B4R0.1 C[C@@H](O)C=O MCULE-5921136435 [0,1,1,0,0,0|0,0,2]=4 695 B4R0.1 C[C@@H](O)CCl MCULE-4669677883 [0,1,1,0,0,0|1,0,0]=3 696 B4R0.1 C[C@@H](O)CCl MCULE-7670590902 [0,1,1,0,0,0|1,0,0]=3 697 B4R0.1 C[C@@H](O)CN MCULE-9301041927 [0,1,1,0,0,0|1,0,0]=3 698 B4R0.1 C[C@@H](O)CO MCULE-4464598400 [0,1,1,0,0,0|0,0,0]=2 699 B4R0.1 C[C@@H](O)CO MCULE-9914833832 [0,1,1,0,0,0|0,0,0]=2 700 B4R0.1 C[C@@H](O)CS MCULE-8817452889 [0,1,1,0,0,0|0,1,0]=3 701 B4R0.1 C[C@H](Cl)CO MCULE-6747279587 [0,1,1,0,0,0|0,0,0]=2 702 B4R0.1 C[C@H](Cl)CO MCULE-8509218918 [0,1,1,0,0,0|0,0,0]=2 703 B4R0.1 C[C@H](F)CO MCULE-1024261541 [0,1,1,0,0,0|0,0,0]=2 704 B4R0.1 C[C@H](F)CO MCULE-7028098137 [0,1,1,0,0,0|0,0,0]=2 705 B4R0.1 C[C@H](N)C#N MCULE-2449963253 [0,1,1,0,0,0|1,0,1]=4 706 B4R0.1 C[C@H](N)C#N MCULE-3624286995 [0,1,1,0,0,0|1,0,1]=4 707 B4R0.1 C[C@H](N)CF MCULE-1053227516 [0,1,1,0,0,0|1,0,0]=3 708 B4R0.1 C[C@H](N)CF MCULE-4024916343 [0,1,1,0,0,0|1,0,0]=3 709 B4R0.1 C[C@H](N)CF MCULE-6312285034 [0,1,1,0,0,0|1,0,0]=3 710 B4R0.1 C[C@H](N)CF MCULE-7630744199 [0,1,1,0,0,0|1,0,0]=3 711 B4R0.1 C[C@H](N)CN MCULE-2048837128 [0,1,1,0,0,0|1,0,0]=3 712 B4R0.1 C[C@H](N)CN MCULE-4105152552 [0,1,1,0,0,0|1,0,0]=3 713 B4R0.1 C[C@H](N)CN MCULE-7106390536 [0,1,1,0,0,0|1,0,0]=3 714 B4R0.1 C[C@H](N)CN MCULE-9863306005 [0,1,1,0,0,0|1,0,0]=3 715 B4R0.1 C[C@H](N)CO MCULE-2471107013 [0,1,1,0,0,0|0,0,0]=2 716 B4R0.1 C[C@H](N)CO MCULE-5424195678 [0,1,1,0,0,0|0,0,0]=2 717 B4R0.1 C[C@H](O)CCl MCULE-3018109825 [0,1,1,0,0,0|1,0,0]=3 718 B4R0.1 C[C@H](O)CCl MCULE-5836677540 [0,1,1,0,0,0|1,0,0]=3 719 B4R0.1 C[C@H](O)CN MCULE-3227371869 [0,1,1,0,0,0|1,0,0]=3 720 B4R0.1 C[C@H](O)CN MCULE-5480489257 [0,1,1,0,0,0|1,0,0]=3 721 B4R0.1 C[C@H](O)CO MCULE-6582852191 [0,1,1,0,0,0|0,0,0]=2 722 B4R0.1 C[C@H](O)CO MCULE-8074793296 [0,1,1,0,0,0|0,0,0]=2 723 B4R0.1 C[C@H](O)CS MCULE-9061842733 [0,1,1,0,0,0|0,1,0]=3 724 B4R0.1 ClC(Br)CBr MCULE-4330156086 [0,1,1,0,0,0|2,0,0]=4 725 B4R0.1 ClC(Cl)CBr MCULE-8368261609 [0,1,1,0,0,0|2,0,0]=4 726 B4R0.1 ClCC(Cl)Cl MCULE-9302905435 [0,1,1,0,0,0|2,0,0]=4 727 B4R0.1 FC(Br)CBr MCULE-2977436061 [0,1,1,0,0,0|2,0,0]=4 728 B4R0.1 FC(Cl)CCl MCULE-6531960916 [0,1,1,0,0,0|2,0,0]=4 729 B4R0.1 FC(F)CBr MCULE-5166579689 [0,1,1,0,0,0|2,0,0]=4 730 B4R0.1 FC(F)CI MCULE-4051435294 [0,1,1,0,0,0|2,0,0]=4 731 B4R0.1 FCC(F)Cl MCULE-7439685421 [0,1,1,0,0,0|2,0,0]=4 732 B4R0.1 N=C(N)CO MCULE-5146395919 [0,1,1,0,0,0|1,0,1]=4 733 B4R0.1 N=C(N)CO MCULE-8814507460 [0,1,1,0,0,0|1,0,1]=4 734 B4R0.1 NC(=O)CO MCULE-2739878376 [0,1,1,0,0,0|1,0,1]=4 735 B4R0.1 NC(=S)CO MCULE-9301705313 [0,1,1,0,0,0|1,0,1]=4 736 B4R0.1 NCC(=O)O MCULE-2415764032 [0,1,1,0,0,0|1,0,1]=4 737 B4R0.1 NCC(=O)O MCULE-3643110755 [0,1,1,0,0,0|1,0,1]=4 738 B4R0.1 NCC(=O)O MCULE-4349255299 [0,1,1,0,0,0|1,0,1]=4 739 B4R0.1 NCC(=O)O MCULE-9146223615 [0,1,1,0,0,0|1,0,1]=4 740 B4R0.1 NCC(=O)O MCULE-9701991737 [0,1,1,0,0,0|1,0,1]=4 741 B4R0.1 NCC(Cl)Cl MCULE-6022785182 [0,1,1,0,0,0|2,0,0]=4 742 B4R0.1 NCC(Cl)Cl MCULE-8181626787 [0,1,1,0,0,0|2,0,0]=4 743 B4R0.1 NCC(F)F MCULE-5562582586 [0,1,1,0,0,0|2,0,0]=4 744 B4R0.1 NCC(F)F MCULE-9437628707 [0,1,1,0,0,0|2,0,0]=4 745 B4R0.1 O=C(O)CBr MCULE-1503716137 [0,1,1,0,0,0|1,0,1]=4 746 B4R0.1 O=C(O)CCl MCULE-9228754880 [0,1,1,0,0,0|1,0,1]=4 747 B4R0.1 O=C(O)CF MCULE-6584094437 [0,1,1,0,0,0|1,0,1]=4 748 B4R0.1 O=C(O)CI MCULE-3146792857 [0,1,1,0,0,0|1,0,1]=4 749 B4R0.1 O=C(O)CO MCULE-9792551388 [0,1,1,0,0,0|1,0,1]=4 750 B4R0.1 O=C(O)CS MCULE-8097997001 [0,1,1,0,0,0|1,0,1]=4 751 B4R0.1 O=C([O-])CO MCULE-2780567509 [0,1,1,0,0,0|1,0,1]=4 752 B4R0.1 O=S(O)CO MCULE-4195832185 [0,1,1,0,0,0|2,0,0]=4 753 B4R0.1 O=S([O-])CO MCULE-5211722344 [0,1,1,0,0,0|2,0,0]=4 754 B4R0.1 OB(O)CCl MCULE-1740750359 [0,1,1,0,0,0|2,0,0]=4 755 B4R0.1 OCC(Cl)Cl MCULE-3279441180 [0,1,1,0,0,0|1,0,0]=3 756 B4R0.1 OCC(F)Br MCULE-5466660542 [0,1,1,0,0,0|1,0,0]=3 757 B4R0.1 OCC(F)F MCULE-3252378943 [0,1,1,0,0,0|1,0,0]=3 758 B4R0.1 P(=O)(O)CN MCULE-5441171864 [0,1,1,0,0,0|2,0,0]=4 759 B4R0.1 [C@@H](C)(O)C#C MCULE-8971134855 [0,1,1,0,0,0|0,0,2]=4 760 B4R0.1 [C@H](C)(O)CN MCULE-8212000072 [0,1,1,0,0,0|1,0,0]=3 761 B4R0.1 [NH3+]C(C)CC MCULE-3066898055 [0,1,1,0,0,0|1,0,0]=3 762 B4R0.2 BrCCCBr MCULE-6500110480 [0,1,1,0,0,0|1,0,0]=3 763 B4R0.2 BrCCCI MCULE-6470610840 [0,1,1,0,0,0|1,0,0]=3 764 B4R0.2 BrCOCBr MCULE-2371209322 [0,1,1,0,0,0|1,0,0]=3 765 B4R0.2 C#CCCBr MCULE-1495603480 [0,1,1,0,0,0|1,0,1]=4 766 B4R0.2 C#CCCC MCULE-1233806896 [0,1,1,0,0,0|1,0,0]=3 767 B4R0.2 C#CCCCl MCULE-5602517887 [0,1,1,0,0,0|1,0,1]=4 768 B4R0.2 C#CCCI MCULE-2832310719 [0,1,1,0,0,0|1,0,1]=4 769 B4R0.2 C#CCCN MCULE-1223656854 [0,1,1,0,0,0|1,0,1]=4 770 B4R0.2 C#CCCN MCULE-6408469965 [0,1,1,0,0,0|1,0,1]=4 771 B4R0.2 C#CCCO MCULE-1797559276 [0,1,1,0,0,0|0,0,1]=3 772 B4R0.2 C#CCCO MCULE-8743964065 [0,1,1,0,0,0|0,0,1]=3 773 B4R0.2 C#CCNC MCULE-9758975590 [0,1,1,0,0,0|1,0,1]=4 774 B4R0.2 C#CCNO MCULE-7210831528 [0,1,1,0,0,0|0,0,2]=4 775 B4R0.2 C#CCNO MCULE-8082854360 [0,1,1,0,0,0|0,0,2]=4 776 B4R0.2 C#CCOC MCULE-9172422462 [0,1,1,0,0,0|0,0,1]=3 777 B4R0.2 C#CCON MCULE-1220634713 [0,1,1,0,0,0|0,0,2]=4 778 B4R0.2 C#CCON MCULE-5781631200 [0,1,1,0,0,0|0,0,2]=4 779 B4R0.2 C#CCSC MCULE-6808040899 [0,1,1,0,0,0|0,1,1]=4 780 B4R0.2 C#COCC MCULE-1522528824 [0,1,1,0,0,0|0,0,1]=3 781 B4R0.2 C/C=C/CCl MCULE-9977493525 [0,1,1,0,0,0|1,0,1]=4 782 B4R0.2 C/C=C/CO MCULE-2383161163 [0,1,1,0,0,0|0,0,1]=3 783 B4R0.2 C/C=C/OC MCULE-3906920304 [0,1,1,0,0,0|0,0,1]=3 784 B4R0.2 C/C=C\CO MCULE-5924662327 [0,1,1,0,0,0|0,0,1]=3 785 B4R0.2 C=C=CCC MCULE-6123315571 [0,1,1,0,0,0|1,0,1]=4 786 B4R0.2 C=C=CCO MCULE-5424851896 [0,1,1,0,0,0|0,0,2]=4 787 B4R0.2 C=CCCBr MCULE-2890129103 [0,1,1,0,0,0|1,0,1]=4 788 B4R0.2 C=CCCC MCULE-8386546337 [0,1,1,0,0,0|1,0,0]=3 789 B4R0.2 C=CCCCl MCULE-5903789900 [0,1,1,0,0,0|1,0,1]=4 790 B4R0.2 C=CCCI MCULE-1055671394 [0,1,1,0,0,0|1,0,1]=4 791 B4R0.2 C=CCCN MCULE-2471716627 [0,1,1,0,0,0|1,0,1]=4 792 B4R0.2 C=CCCN MCULE-2881108697 [0,1,1,0,0,0|1,0,1]=4 793 B4R0.2 C=CCCO MCULE-4582400839 [0,1,1,0,0,0|0,0,1]=3 794 B4R0.2 C=CCNC MCULE-3335720336 [0,1,1,0,0,0|1,0,1]=4 795 B4R0.2 C=CCOC MCULE-3321225771 [0,1,1,0,0,0|0,0,1]=3 796 B4R0.2 C=CCON MCULE-2094787759 [0,1,1,0,0,0|0,0,2]=4 797 B4R0.2 C=CCON MCULE-6222602533 [0,1,1,0,0,0|0,0,2]=4 798 B4R0.2 C=CCSC MCULE-4452023915 [0,1,1,0,0,0|0,1,1]=4 799 B4R0.2 C=COCC MCULE-2569047033 [0,1,1,0,0,0|0,0,1]=3 800 B4R0.2 C=CSCC MCULE-8927374165 [0,1,1,0,0,0|0,1,1]=4 801 B4R0.2 CC#CCBr MCULE-3596191560 [0,1,1,0,0,0|1,0,1]=4 802 B4R0.2 CC#CCC MCULE-8848779220 [0,1,1,0,0,0|1,0,0]=3 803 B4R0.2 CC#CCI MCULE-3596701582 [0,1,1,0,0,0|1,0,1]=4 804 B4R0.2 CC#CCN MCULE-7027146471 [0,1,1,0,0,0|1,0,1]=4 805 B4R0.2 CC#CCN MCULE-9570644542 [0,1,1,0,0,0|1,0,1]=4 806 B4R0.2 CC#CCO MCULE-5096552076 [0,1,1,0,0,0|0,0,1]=3 807 B4R0.2 CC=CCBr MCULE-7855581866 [0,1,1,0,0,0|1,0,1]=4 808 B4R0.2 CC=CCC MCULE-5931905453 [0,1,1,0,0,0|1,0,0]=3 809 B4R0.2 CC=CCCl MCULE-3941962217 [0,1,1,0,0,0|1,0,1]=4 810 B4R0.2 CC=CCO MCULE-7490725844 [0,1,1,0,0,0|0,0,1]=3 811 B4R0.2 CC=COC MCULE-6712403535 [0,1,1,0,0,0|0,0,1]=3 812 B4R0.2 CC=CSC MCULE-5921906156 [0,1,1,0,0,0|0,1,1]=4 813 B4R0.2 CCC#CI MCULE-6466997582 [0,1,1,0,0,0|1,0,1]=4 814 B4R0.2 CCC=CBr MCULE-4471551501 [0,1,1,0,0,0|1,0,1]=4 815 B4R0.2 CCC=NO MCULE-9457280654 [0,1,1,0,0,0|0,0,1]=3 816 B4R0.2 CCCC#N MCULE-8571076087 [0,1,1,0,0,0|1,0,0]=3 817 B4R0.2 CCCC=O MCULE-8530391347 [0,1,1,0,0,0|0,0,1]=3 818 B4R0.2 CCCCBr MCULE-3390217131 [0,1,1,0,0,0|1,0,0]=3 819 B4R0.2 CCCCC MCULE-4643148765 [0,1,1,0,0,0|1,0,0]=3 820 B4R0.2 CCCCCl MCULE-5329900290 [0,1,1,0,0,0|1,0,0]=3 821 B4R0.2 CCCCF MCULE-7225760858 [0,1,1,0,0,0|1,0,0]=3 822 B4R0.2 CCCCI MCULE-1160974720 [0,1,1,0,0,0|1,0,0]=3 823 B4R0.2 CCCCN MCULE-1731874934 [0,1,1,0,0,0|1,0,0]=3 824 B4R0.2 CCCCN MCULE-4233278050 [0,1,1,0,0,0|1,0,0]=3 825 B4R0.2 CCCCN MCULE-5242069370 [0,1,1,0,0,0|1,0,0]=3 826 B4R0.2 CCCCN MCULE-7343835253 [0,1,1,0,0,0|1,0,0]=3 827 B4R0.2 CCCCO MCULE-1571156443 [0,1,1,0,0,0|0,0,0]=2 828 B4R0.2 CCCCS MCULE-9441213933 [0,1,1,0,0,0|0,1,0]=3 829 B4R0.2 CCCNC MCULE-2266616259 [0,1,1,0,0,0|1,0,0]=3 830 B4R0.2 CCCNC MCULE-7722796872 [0,1,1,0,0,0|1,0,0]=3 831 B4R0.2 CCCNN MCULE-4121438775 [0,1,1,0,0,0|1,0,0]=3 832 B4R0.2 CCCNN MCULE-5875592228 [0,1,1,0,0,0|1,0,0]=3 833 B4R0.2 CCCNN MCULE-9585694661 [0,1,1,0,0,0|1,0,0]=3 834 B4R0.2 CCCOC MCULE-5854067718 [0,1,1,0,0,0|0,0,0]=2 835 B4R0.2 CCCON MCULE-4800172637 [0,1,1,0,0,0|0,0,0]=2 836 B4R0.2 CCCON MCULE-7988781002 [0,1,1,0,0,0|0,0,0]=2 837 B4R0.2 CCCSC MCULE-8387041737 [0,1,1,0,0,0|0,1,0]=3 838 B4R0.2 CCN=C=O MCULE-6522145601 [0,1,1,0,0,0|0,0,2]=4 839 B4R0.2 CCN=C=S MCULE-9838756606 [0,1,1,0,0,0|0,1,1]=4 840 B4R0.2 CCNC=O MCULE-9309926274 [0,1,1,0,0,0|0,0,2]=4 841 B4R0.2 CCNCC MCULE-3395060353 [0,1,1,0,0,0|1,0,0]=3 842 B4R0.2 CCNCC MCULE-4374609736 [0,1,1,0,0,0|1,0,0]=3 843 B4R0.2 CCNCC MCULE-4555901025 [0,1,1,0,0,0|1,0,0]=3 844 B4R0.2 CCNCC MCULE-6895602113 [0,1,1,0,0,0|1,0,0]=3 845 B4R0.2 CCNOC MCULE-4797714235 [0,1,1,0,0,0|0,0,0]=2 846 B4R0.2 CCNOC MCULE-6486167423 [0,1,1,0,0,0|0,0,0]=2 847 B4R0.2 CCOC=N MCULE-5321655909 [0,1,1,0,0,0|0,0,1]=3 848 B4R0.2 CCOC=N MCULE-8158357614 [0,1,1,0,0,0|0,0,1]=3 849 B4R0.2 CCOC=O MCULE-6245072161 [0,1,1,0,0,0|0,0,1]=3 850 B4R0.2 CCOCBr MCULE-6644755987 [0,1,1,0,0,0|0,0,0]=2 851 B4R0.2 CCOCC MCULE-5665709021 [0,1,1,0,0,0|0,0,0]=2 852 B4R0.2 CCOCCl MCULE-5087992840 [0,1,1,0,0,0|0,0,0]=2 853 B4R0.2 CCONC MCULE-5446312516 [0,1,1,0,0,0|0,0,0]=2 854 B4R0.2 CCONC MCULE-7976027802 [0,1,1,0,0,0|0,0,0]=2 855 B4R0.2 CCSC#N MCULE-1270730084 [0,1,1,0,0,0|0,1,1]=4 856 B4R0.2 CCSCC MCULE-6480710239 [0,1,1,0,0,0|0,1,0]=3 857 B4R0.2 CCSCCl MCULE-3890542152 [0,1,1,0,0,0|0,1,0]=3 858 B4R0.2 CCSSC MCULE-9430585714 [0,1,1,0,0,0|0,1,0]=3 859 B4R0.2 CC[NH2+]CC MCULE-9899430356 [0,1,1,0,0,0|1,0,0]=3 860 B4R0.2 CNCC#N MCULE-1233170363 [0,1,1,0,0,0|1,0,1]=4 861 B4R0.2 CNCC#N MCULE-4334159739 [0,1,1,0,0,0|1,0,1]=4 862 B4R0.2 CNCC#N MCULE-8267124503 [0,1,1,0,0,0|1,0,1]=4 863 B4R0.2 CNCCBr MCULE-3708780806 [0,1,1,0,0,0|1,0,0]=3 864 B4R0.2 CNCCBr MCULE-6840755559 [0,1,1,0,0,0|1,0,0]=3 865 B4R0.2 CNCCCl MCULE-1666345560 [0,1,1,0,0,0|1,0,0]=3 866 B4R0.2 CNCCCl MCULE-8215813413 [0,1,1,0,0,0|1,0,0]=3 867 B4R0.2 CNCCF MCULE-3719880423 [0,1,1,0,0,0|1,0,0]=3 868 B4R0.2 CNCCF MCULE-3751701745 [0,1,1,0,0,0|1,0,0]=3 869 B4R0.2 CNCCI MCULE-7026781832 [0,1,1,0,0,0|1,0,0]=3 870 B4R0.2 CNCCI MCULE-8892686580 [0,1,1,0,0,0|1,0,0]=3 871 B4R0.2 CNCCN MCULE-2881688448 [0,1,1,0,0,0|1,0,0]=3 872 B4R0.2 CNCCN MCULE-7199403269 [0,1,1,0,0,0|1,0,0]=3 873 B4R0.2 CNCCO MCULE-7051900771 [0,1,1,0,0,0|0,0,0]=2 874 B4R0.2 CNCCO MCULE-7934732981 [0,1,1,0,0,0|0,0,0]=2 875 B4R0.2 CNCCS MCULE-6430516369 [0,1,1,0,0,0|0,1,0]=3 876 B4R0.2 COCC#N MCULE-9178522865 [0,1,1,0,0,0|0,0,1]=3 877 B4R0.2 COCC=O MCULE-9427361019 [0,1,1,0,0,0|0,0,1]=3 878 B4R0.2 COCCBr MCULE-8316331262 [0,1,1,0,0,0|0,0,0]=2 879 B4R0.2 COCCCl MCULE-8886627413 [0,1,1,0,0,0|0,0,0]=2 880 B4R0.2 COCCI MCULE-9391124374 [0,1,1,0,0,0|0,0,0]=2 881 B4R0.2 COCCN MCULE-5051556646 [0,1,1,0,0,0|0,0,0]=2 882 B4R0.2 COCCN MCULE-7519068386 [0,1,1,0,0,0|0,0,0]=2 883 B4R0.2 COCCO MCULE-4751927883 [0,1,1,0,0,0|0,0,0]=2 884 B4R0.2 COCCS MCULE-7803276094 [0,1,1,0,0,0|0,0,0]=2 885 B4R0.2 COCOC MCULE-8559076702 [0,1,1,0,0,0|0,0,0]=2 886 B4R0.2 COCON MCULE-6032854331 [0,1,1,0,0,0|1,0,0]=3 887 B4R0.2 CSCC#N MCULE-3607261611 [0,1,1,0,0,0|0,1,1]=4 888 B4R0.2 CSCCBr MCULE-1684461541 [0,1,1,0,0,0|0,1,0]=3 889 B4R0.2 CSCCCl MCULE-8593103756 [0,1,1,0,0,0|0,1,0]=3 890 B4R0.2 CSCCN MCULE-5168245255 [0,1,1,0,0,0|0,1,0]=3 891 B4R0.2 CSCCN MCULE-6275285732 [0,1,1,0,0,0|0,1,0]=3 892 B4R0.2 CSCCO MCULE-9706874325 [0,1,1,0,0,0|0,0,0]=2 893 B4R0.2 CSCSC MCULE-5603964020 [0,1,1,0,0,0|0,1,0]=3 894 B4R0.2 CSSSC MCULE-4175573612 [0,1,1,0,0,0|1,1,0]=4 895 B4R0.2 ClCCCBr MCULE-7937580875 [0,1,1,0,0,0|1,0,0]=3 896 B4R0.2 ClCCCCl MCULE-6693270397 [0,1,1,0,0,0|1,0,0]=3 897 B4R0.2 ClCCCI MCULE-1521526833 [0,1,1,0,0,0|1,0,0]=3 898 B4R0.2 ClCSCCl MCULE-5228778525 [0,1,1,0,0,0|1,1,0]=4 899 B4R0.2 FCCCBr MCULE-5674735753 [0,1,1,0,0,0|1,0,0]=3 900 B4R0.2 FCCCF MCULE-1803511350 [0,1,1,0,0,0|1,0,0]=3 901 B4R0.2 FCCCI MCULE-9287814857 [0,1,1,0,0,0|1,0,0]=3 902 B4R0.2 ICCCI MCULE-9849754168 [0,1,1,0,0,0|1,0,0]=3 903 B4R0.2 ICOCI MCULE-4901830231 [0,1,1,0,0,0|1,0,0]=3 904 B4R0.2 N#CCCBr MCULE-1744180602 [0,1,1,0,0,0|1,0,1]=4 905 B4R0.2 N#CCCCl MCULE-3511379481 [0,1,1,0,0,0|1,0,1]=4 906 B4R0.2 N#CCCI MCULE-1591942951 [0,1,1,0,0,0|1,0,1]=4 907 B4R0.2 N#CCCN MCULE-8482296338 [0,1,1,0,0,0|1,0,1]=4 908 B4R0.2 N#CCCN MCULE-9518086954 [0,1,1,0,0,0|1,0,1]=4 909 B4R0.2 N#CCCO MCULE-5098987368 [0,1,1,0,0,0|0,0,1]=3 910 B4R0.2 N#CCCS MCULE-7199964466 [0,1,1,0,0,0|0,1,1]=4 911 B4R0.2 N#CCNO MCULE-6808474875 [0,1,1,0,0,0|1,0,1]=4 912 B4R0.2 N#CCON MCULE-1849571406 [0,1,1,0,0,0|1,0,1]=4 913 B4R0.2 N#CCON MCULE-2156159928 [0,1,1,0,0,0|1,0,1]=4 914 B4R0.2 NCCCBr MCULE-5485748003 [0,1,1,0,0,0|1,0,0]=3 915 B4R0.2 NCCCBr MCULE-7072709972 [0,1,1,0,0,0|1,0,0]=3 916 B4R0.2 NCCCCl MCULE-1324157004 [0,1,1,0,0,0|1,0,0]=3 917 B4R0.2 NCCCCl MCULE-3667248190 [0,1,1,0,0,0|1,0,0]=3 918 B4R0.2 NCCCF MCULE-5215746973 [0,1,1,0,0,0|1,0,0]=3 919 B4R0.2 NCCCF MCULE-8077133369 [0,1,1,0,0,0|1,0,0]=3 920 B4R0.2 NCCCI MCULE-3534892097 [0,1,1,0,0,0|1,0,0]=3 921 B4R0.2 NCCCI MCULE-8010453546 [0,1,1,0,0,0|1,0,0]=3 922 B4R0.2 NCCCN MCULE-4293255820 [0,1,1,0,0,0|1,0,0]=3 923 B4R0.2 NCCCN MCULE-5041378433 [0,1,1,0,0,0|1,0,0]=3 924 B4R0.2 NCCCN MCULE-6944452060 [0,1,1,0,0,0|1,0,0]=3 925 B4R0.2 NCCCN MCULE-7375662153 [0,1,1,0,0,0|1,0,0]=3 926 B4R0.2 NCCCN MCULE-8277465929 [0,1,1,0,0,0|1,0,0]=3 927 B4R0.2 NCCCN MCULE-9929373126 [0,1,1,0,0,0|1,0,0]=3 928 B4R0.2 NCCCO MCULE-2851278356 [0,1,1,0,0,0|0,0,0]=2 929 B4R0.2 NCCCO MCULE-9698089092 [0,1,1,0,0,0|0,0,0]=2 930 B4R0.2 NCCCS MCULE-3994478020 [0,1,1,0,0,0|0,1,0]=3 931 B4R0.2 NCCCS MCULE-7730973866 [0,1,1,0,0,0|0,1,0]=3 932 B4R0.2 NCCON MCULE-3613980902 [0,1,1,0,0,0|1,0,0]=3 933 B4R0.2 NCCON MCULE-7030217952 [0,1,1,0,0,0|1,0,0]=3 934 B4R0.2 NCCON MCULE-8959912781 [0,1,1,0,0,0|1,0,0]=3 935 B4R0.2 NNCCF MCULE-2712460031 [0,1,1,0,0,0|2,0,0]=4 936 B4R0.2 NNCCF MCULE-8505927457 [0,1,1,0,0,0|2,0,0]=4 937 B4R0.2 NNCCO MCULE-1290652744 [0,1,1,0,0,0|1,0,0]=3 938 B4R0.2 NOCCBr MCULE-2796346082 [0,1,1,0,0,0|1,0,0]=3 939 B4R0.2 NOCCBr MCULE-5636354898 [0,1,1,0,0,0|1,0,0]=3 940 B4R0.2 NOCCCl MCULE-5981688956 [0,1,1,0,0,0|1,0,0]=3 941 B4R0.2 NOCCF MCULE-1813481600 [0,1,1,0,0,0|1,0,0]=3 942 B4R0.2 NOCCF MCULE-2993254805 [0,1,1,0,0,0|1,0,0]=3 943 B4R0.2 NOCCO MCULE-2545004367 [0,1,1,0,0,0|1,0,0]=3 944 B4R0.2 O=CCCBr MCULE-4107157458 [0,1,1,0,0,0|0,0,2]=4 945 B4R0.2 O=CCCCl MCULE-5863929313 [0,1,1,0,0,0|0,0,2]=4 946 B4R0.2 O=CCCI MCULE-9771140462 [0,1,1,0,0,0|0,0,2]=4 947 B4R0.2 O=CCCO MCULE-1685289763 [0,1,1,0,0,0|0,0,1]=3 948 B4R0.2 OC=CCCl MCULE-4750991393 [0,1,1,0,0,0|0,0,2]=4 949 B4R0.2 OCC#CBr MCULE-2495653455 [0,1,1,0,0,0|0,0,2]=4 950 B4R0.2 OCC#CI MCULE-1101149708 [0,1,1,0,0,0|0,0,2]=4 951 B4R0.2 OCC=CBr MCULE-4636104289 [0,1,1,0,0,0|0,0,2]=4 952 B4R0.2 OCC=CCl MCULE-2110127594 [0,1,1,0,0,0|0,0,2]=4 953 B4R0.2 OCCCBr MCULE-3450011527 [0,1,1,0,0,0|0,0,0]=2 954 B4R0.2 OCCCCl MCULE-2319230957 [0,1,1,0,0,0|0,0,0]=2 955 B4R0.2 OCCCF MCULE-2347934403 [0,1,1,0,0,0|0,0,0]=2 956 B4R0.2 OCCCI MCULE-5200713967 [0,1,1,0,0,0|0,0,0]=2 957 B4R0.2 OCCCO MCULE-5166824786 [0,1,1,0,0,0|0,0,0]=2 958 B4R0.2 OCCCS MCULE-7930164048 [0,1,1,0,0,0|0,0,0]=2 959 B4R0.2 ON=CCCl MCULE-5736695742 [0,1,1,0,0,0|1,0,1]=4 960 B4R0.2 PCCCP MCULE-6048146071 [0,1,1,0,0,0|1,0,0]=3 961 B4R0.2 SCCCBr MCULE-4627341228 [0,1,1,0,0,0|0,1,0]=3 962 B4R0.2 SCCCCl MCULE-6410389127 [0,1,1,0,0,0|0,1,0]=3 963 B4R0.2 SCCCS MCULE-8220630729 [0,1,1,0,0,0|0,1,0]=3 964 B4R0.2 [NH2+](CC)CC MCULE-1192179232 [0,1,1,0,0,0|1,0,0]=3 965 B4R0.2 [NH3+]OCO[NH3+] MCULE-1014646507 [0,1,1,0,0,0|2,0,0]=4 966 B4R0.2 [NH3+]OCO[NH3+] MCULE-2130820760 [0,1,1,0,0,0|2,0,0]=4 967 B4R0.3 C=N(C)(C)Cl MCULE-3152663998 [0,1,1,0,0,0|2,0,0]=4 968 B4R0.3 CC(C)(Br)Br MCULE-5323692926 [0,1,1,0,0,0|1,0,0]=3 969 B4R0.3 CC(C)(C)Br MCULE-7499182970 [0,1,1,0,0,0|1,0,0]=3 970 B4R0.3 CC(C)(C)Cl MCULE-3289240398 [0,1,1,0,0,0|1,0,0]=3 971 B4R0.3 CC(C)(C)I MCULE-4526513944 [0,1,1,0,0,0|1,0,0]=3 972 B4R0.3 CC(C)(C)N MCULE-6304532422 [0,1,1,0,0,0|1,0,0]=3 973 B4R0.3 CC(C)(C)N MCULE-7949511330 [0,1,1,0,0,0|1,0,0]=3 974 B4R0.3 CC(C)(C)O MCULE-2451492095 [0,1,1,0,0,0|0,0,0]=2 975 B4R0.3 CC(C)(C)P MCULE-7154081259 [0,1,1,0,0,0|1,0,0]=3 976 B4R0.3 CC(C)(C)S MCULE-6147507012 [0,1,1,0,0,0|0,1,0]=3 977 B4R0.3 CC(C)(Cl)Cl MCULE-4748939799 [0,1,1,0,0,0|1,0,0]=3 978 B4R0.3 CC(C)(F)F MCULE-5872625782 [0,1,1,0,0,0|1,0,0]=3 979 B4R0.3 CC(Cl)(Cl)Cl MCULE-5353008945 [0,1,1,0,0,0|2,0,0]=4 980 B4R0.3 CC(F)(F)Cl MCULE-2961717915 [0,1,1,0,0,0|2,0,0]=4 981 B4R0.3 CN(=O)(C)C MCULE-5376400909 [0,1,1,0,0,0|1,0,1]=4 982 B4R0.3 CP(=O)(C)C MCULE-2802987054 [0,1,1,0,0,0|1,0,1]=4 983 B4R0.3 CP(=O)(C)Cl MCULE-7288561548 [0,1,1,0,0,0|1,0,1]=4 984 B4R0.3 CP(=O)(C)O MCULE-6213882061 [0,1,1,0,0,0|1,0,0]=3 985 B4R0.3 CP(=O)(O)O MCULE-1998702544 [0,1,1,0,0,0|2,0,0]=4 986 B4R0.3 CP(=S)(C)Cl MCULE-3277835198 [0,1,1,0,0,0|1,1,0]=4 987 B4R0.3 CS(=N)(=O)C MCULE-2258256823 [0,1,1,0,0,0|1,0,1]=4 988 B4R0.3 CS(=N)(=O)C MCULE-9753633994 [0,1,1,0,0,0|1,0,1]=4 989 B4R0.3 CS(=O)(=O)C MCULE-3320409932 [0,1,1,0,0,0|1,0,1]=4 990 B4R0.3 CS(=O)(=O)O MCULE-3859614034 [0,1,1,0,0,0|2,0,0]=4 991 B4R0.3 CS(=O)(=O)O MCULE-6572487779 [0,1,1,0,0,0|2,0,0]=4 992 B4R0.3 CS(=O)(=O)O MCULE-9395657013 [0,1,1,0,0,0|2,0,0]=4 993 B4R0.3 CS(C)(Br)Br MCULE-4451528936 [0,1,1,0,0,0|2,0,0]=4 994 B4R0.3 C[As](=O)(C)O MCULE-8596669108 [0,1,1,0,0,0|1,0,0]=3 995 B4R0.3 C[As](=O)(O)O MCULE-7801777602 [0,1,1,0,0,0|2,0,0]=4 996 B4R0.3 C[Ge](C)(C)Br MCULE-5550620894 [0,1,1,0,0,0|1,1,0]=4 997 B4R0.3 C[Ge](C)(C)C MCULE-3960669880 [0,1,1,0,0,0|1,1,0]=4 998 B4R0.3 C[Ge](C)(C)Cl MCULE-1572821903 [0,1,1,0,0,0|1,1,0]=4 999 B4R0.3 C[Ge](C)(Cl)Cl MCULE-9440927104 [0,1,1,0,0,0|1,1,0]=4 1000 B4R0.3 C[N+](C)(C)C MCULE-1342262392 [0,1,1,0,0,0|2,0,0]=4 1001 B4R0.3 C[N+](C)(C)C MCULE-1837366554 [0,1,1,0,0,0|2,0,0]=4 1002 B4R0.3 C[N+](C)(C)C MCULE-3114633078 [0,1,1,0,0,0|2,0,0]=4 1003 B4R0.3 C[N+](C)(C)C MCULE-8602528678 [0,1,1,0,0,0|2,0,0]=4 1004 B4R0.3 C[N+](C)(C)C MCULE-8758631770 [0,1,1,0,0,0|2,0,0]=4 1005 B4R0.3 C[N+](C)(C)C MCULE-9749836604 [0,1,1,0,0,0|2,0,0]=4 1006 B4R0.3 C[N+](C)(C)N MCULE-2241507629 [0,1,1,0,0,0|2,0,0]=4 1007 B4R0.3 C[N+](C)(C)N MCULE-8001746254 [0,1,1,0,0,0|2,0,0]=4 1008 B4R0.3 C[N+](C)(C)[O-] MCULE-7128782190 [0,1,1,0,0,0|1,0,1]=4 1009 B4R0.3 C[P+](C)(C)C MCULE-1640858311 [0,1,1,0,0,0|2,0,0]=4 1010 B4R0.3 C[P+](C)(C)C MCULE-6694954822 [0,1,1,0,0,0|2,0,0]=4 1011 B4R0.3 C[P+](C)(C)C MCULE-9710389170 [0,1,1,0,0,0|2,0,0]=4 1012 B4R0.3 C[S+](=O)(C)C MCULE-2814839338 [0,1,1,0,0,0|1,0,1]=4 1013 B4R0.3 C[S+](=O)(C)C MCULE-6233776311 [0,1,1,0,0,0|1,0,1]=4 1014 B4R0.3 C[S+](=O)(C)C MCULE-8597659521 [0,1,1,0,0,0|1,0,1]=4 1015 B4R0.3 C[S+](=O)(C)C MCULE-8812954810 [0,1,1,0,0,0|1,0,1]=4 1016 B4R0.3 C[Si](C)(C)Br MCULE-4585744872 [0,1,1,0,0,0|1,1,0]=4 1017 B4R0.3 C[Si](C)(C)C MCULE-6525916858 [0,1,1,0,0,0|1,1,0]=4 1018 B4R0.3 C[Si](C)(C)Cl MCULE-6300422765 [0,1,1,0,0,0|1,1,0]=4 1019 B4R0.3 C[Si](C)(C)I MCULE-5974866799 [0,1,1,0,0,0|1,1,0]=4 1020 B4R0.3 C[Si](C)(C)O MCULE-7661125809 [0,1,1,0,0,0|0,1,0]=3 1021 B4R0.3 C[Si](C)(Cl)Cl MCULE-9942976055 [0,1,1,0,0,0|1,1,0]=4 1022 B4R0.3 C[Si](C)(F)F MCULE-8972526873 [0,1,1,0,0,0|1,1,0]=4 1023 B4R0.3 C[Sn](C)(C)C MCULE-1160619415 [0,1,1,0,0,0|2,0,0]=4 1024 B6R1.4 CC1CCC1=O MCULE-4548181715 [0,1,0,0,0,1|1,0,0]=3 1025 B6R1.4 CC1CCC1N MCULE-9634057678 [0,1,0,0,0,1|1,0,0]=3 1026 B6R1.4 CC1CCC1N MCULE-9849489304 [0,1,0,0,0,1|1,0,0]=3 1027 B6R1.4 CC1CCC1O MCULE-3852133104 [0,1,0,0,0,1|1,0,0]=3 1028 B6R1.4 CC1CNC1=O MCULE-5523309752 [0,1,0,0,0,1|1,0,0]=3 1029 B6R1.4 CC1CNC1C MCULE-6217110869 [0,1,0,0,0,1|1,0,0]=3 1030 B6R1.4 CC1CNC1C MCULE-8966220604 [0,1,0,0,0,1|1,0,0]=3 1031 B6R1.4 CC1COC1=O MCULE-9711165188 [0,1,0,0,0,1|0,0,0]=2 1032 B6R1.4 CC1NCC1F MCULE-2205876595 [0,1,0,0,0,1|1,0,0]=3 1033 B6R1.4 CC1NCC1F MCULE-3575637458 [0,1,0,0,0,1|1,0,0]=3 1034 B6R1.4 CC1NCC1O MCULE-6512695808 [0,1,0,0,0,1|1,0,0]=3 1035 B6R1.4 CC1NCC1O MCULE-8357296054 [0,1,0,0,0,1|1,0,0]=3 1036 B6R1.4 CC1OCC1=O MCULE-7718609686 [0,1,0,0,0,1|0,0,0]=2 1037 B6R1.4 CC1OCC1O MCULE-1893283492 [0,1,0,0,0,1|0,0,0]=2 1038 B6R1.4 C[C@@H]1CC[C@@H]1N MCULE-9803413081 [0,1,0,0,0,1|1,0,0]=3 1039 B6R1.4 C[C@@H]1CC[C@H]1N MCULE-3888655890 [0,1,0,0,0,1|1,0,0]=3 1040 B6R1.4 C[C@@H]1CN[C@@H]1C MCULE-5099590573 [0,1,0,0,0,1|1,0,0]=3 1041 B6R1.4 C[C@@H]1CN[C@@H]1C MCULE-6754257002 [0,1,0,0,0,1|1,0,0]=3 1042 B6R1.4 C[C@@H]1CN[C@@H]1C MCULE-7084262632 [0,1,0,0,0,1|1,0,0]=3 1043 B6R1.4 C[C@@H]1CN[C@@H]1C MCULE-9147724667 [0,1,0,0,0,1|1,0,0]=3 1044 B6R1.4 C[C@@H]1NC[C@@H]1F MCULE-2104999017 [0,1,0,0,0,1|1,0,0]=3 1045 B6R1.4 C[C@@H]1NC[C@@H]1F MCULE-9859591204 [0,1,0,0,0,1|1,0,0]=3 1046 B6R1.4 C[C@@H]1NC[C@@H]1O MCULE-1528414534 [0,1,0,0,0,1|1,0,0]=3 1047 B6R1.4 C[C@@H]1NC[C@@H]1O MCULE-2910306067 [0,1,0,0,0,1|1,0,0]=3 1048 B6R1.4 C[C@@H]1NC[C@@H]1O MCULE-3197698089 [0,1,0,0,0,1|1,0,0]=3 1049 B6R1.4 C[C@@H]1NC[C@@H]1O MCULE-3295326997 [0,1,0,0,0,1|1,0,0]=3 1050 B6R1.4 C[C@@H]1NC[C@@H]1O MCULE-5640695802 [0,1,0,0,0,1|1,0,0]=3 1051 B6R1.4 C[C@@H]1NC[C@@H]1O MCULE-7598216076 [0,1,0,0,0,1|1,0,0]=3 1052 B6R1.4 C[C@@H]1NC[C@H]1F MCULE-2384338566 [0,1,0,0,0,1|1,0,0]=3 1053 B6R1.4 C[C@@H]1NC[C@H]1F MCULE-3761027062 [0,1,0,0,0,1|1,0,0]=3 1054 B6R1.4 C[C@@H]1NC[C@H]1F MCULE-7625337051 [0,1,0,0,0,1|1,0,0]=3 1055 B6R1.4 C[C@@H]1NC[C@H]1F MCULE-8482078532 [0,1,0,0,0,1|1,0,0]=3 1056 B6R1.4 C[C@@H]1NC[C@H]1O MCULE-3152396704 [0,1,0,0,0,1|1,0,0]=3 1057 B6R1.4 C[C@@H]1NC[C@H]1O MCULE-3248209918 [0,1,0,0,0,1|1,0,0]=3 1058 B6R1.4 C[C@@H]1NC[C@H]1O MCULE-3575939824 [0,1,0,0,0,1|1,0,0]=3 1059 B6R1.4 C[C@@H]1NC[C@H]1O MCULE-4120662394 [0,1,0,0,0,1|1,0,0]=3 1060 B6R1.4 C[C@H]1CC[C@@H]1N MCULE-1445146965 [0,1,0,0,0,1|1,0,0]=3 1061 B6R1.4 C[C@H]1CC[C@H]1N MCULE-3329522369 [0,1,0,0,0,1|1,0,0]=3 1062 B6R1.4 C[C@H]1NC[C@@H]1F MCULE-6266484815 [0,1,0,0,0,1|1,0,0]=3 1063 B6R1.4 C[C@H]1NC[C@@H]1F MCULE-9525975864 [0,1,0,0,0,1|1,0,0]=3 1064 B6R1.4 C[C@H]1NC[C@@H]1O MCULE-3510002118 [0,1,0,0,0,1|1,0,0]=3 1065 B6R1.4 C[C@H]1NC[C@@H]1O MCULE-6901722671 [0,1,0,0,0,1|1,0,0]=3 1066 B6R1.4 C[C@H]1NC[C@H]1F MCULE-6303998999 [0,1,0,0,0,1|1,0,0]=3 1067 B6R1.4 C[C@H]1NC[C@H]1F MCULE-8897044344 [0,1,0,0,0,1|1,0,0]=3 1068 B6R1.4 C[C@H]1NC[C@H]1O MCULE-1733557375 [0,1,0,0,0,1|1,0,0]=3 1069 B6R1.4 C[C@H]1NC[C@H]1O MCULE-3026150373 [0,1,0,0,0,1|1,0,0]=3 1070 B6R1.4 C[C@H]1NC[C@H]1O MCULE-7386387747 [0,1,0,0,0,1|1,0,0]=3 1071 B6R1.4 C[C@H]1NC[C@H]1O MCULE-7405032693 [0,1,0,0,0,1|1,0,0]=3 1072 B6R1.4 NC1CCC1=O MCULE-3868209809 [0,1,0,0,0,1|2,0,0]=4 1073 B6R1.4 NC1CCC1=O MCULE-9741389143 [0,1,0,0,0,1|2,0,0]=4 1074 B6R1.4 NC1CCC1F MCULE-1403984623 [0,1,0,0,0,1|2,0,0]=4 1075 B6R1.4 NC1CCC1F MCULE-8216841286 [0,1,0,0,0,1|2,0,0]=4 1076 B6R1.4 NC1CCC1N MCULE-6052332328 [0,1,0,0,0,1|2,0,0]=4 1077 B6R1.4 NC1CCC1O MCULE-4636397534 [0,1,0,0,0,1|2,0,0]=4 1078 B6R1.4 NC1CCC1O MCULE-7148132261 [0,1,0,0,0,1|2,0,0]=4 1079 B6R1.4 NC1CNC1=O MCULE-2761616663 [0,1,0,0,0,1|2,0,0]=4 1080 B6R1.4 NC1CNC1=O MCULE-3021306383 [0,1,0,0,0,1|2,0,0]=4 1081 B6R1.4 NC1CNC1=O MCULE-3943057121 [0,1,0,0,0,1|2,0,0]=4 1082 B6R1.4 NC1COC1=O MCULE-6998565452 [0,1,0,0,0,1|1,0,0]=3 1083 B6R1.4 N[C@@H]1CC[C@@H]1O MCULE-1054283097 [0,1,0,0,0,1|2,0,0]=4 1084 B6R1.4 N[C@@H]1CC[C@@H]1O MCULE-3905992171 [0,1,0,0,0,1|2,0,0]=4 1085 B6R1.4 N[C@@H]1CC[C@@H]1O MCULE-6111990015 [0,1,0,0,0,1|2,0,0]=4 1086 B6R1.4 N[C@@H]1CC[C@@H]1O MCULE-9101755956 [0,1,0,0,0,1|2,0,0]=4 1087 B6R1.4 N[C@@H]1CC[C@H]1N MCULE-6204977772 [0,1,0,0,0,1|2,0,0]=4 1088 B6R1.4 N[C@@H]1CC[C@H]1O MCULE-1883601377 [0,1,0,0,0,1|2,0,0]=4 1089 B6R1.4 N[C@@H]1CC[C@H]1O MCULE-6045787726 [0,1,0,0,0,1|2,0,0]=4 1090 B6R1.4 N[C@@H]1CC[C@H]1O MCULE-7120290402 [0,1,0,0,0,1|2,0,0]=4 1091 B6R1.4 N[C@@H]1CC[C@H]1O MCULE-8603369729 [0,1,0,0,0,1|2,0,0]=4 1092 B6R1.4 N[C@@H]1CNC1=O MCULE-3645662662 [0,1,0,0,0,1|2,0,0]=4 1093 B6R1.4 N[C@@H]1CNC1=O MCULE-4399212271 [0,1,0,0,0,1|2,0,0]=4 1094 B6R1.4 N[C@@H]1CNC1=O MCULE-6332076219 [0,1,0,0,0,1|2,0,0]=4 1095 B6R1.4 N[C@@H]1CNC1=O MCULE-6365012530 [0,1,0,0,0,1|2,0,0]=4 1096 B6R1.4 N[C@@H]1COC1=O MCULE-8080548213 [0,1,0,0,0,1|1,0,0]=3 1097 B6R1.4 N[C@@H]1COC1=O MCULE-9370092691 [0,1,0,0,0,1|1,0,0]=3 1098 B6R1.4 N[C@H]1CC[C@@H]1N MCULE-3551063683 [0,1,0,0,0,1|2,0,0]=4 1099 B6R1.4 N[C@H]1CC[C@@H]1O MCULE-1761694918 [0,1,0,0,0,1|2,0,0]=4 1100 B6R1.4 N[C@H]1CC[C@@H]1O MCULE-2828590958 [0,1,0,0,0,1|2,0,0]=4 1101 B6R1.4 N[C@H]1CC[C@@H]1O MCULE-3261752057 [0,1,0,0,0,1|2,0,0]=4 1102 B6R1.4 N[C@H]1CC[C@@H]1O MCULE-7711512049 [0,1,0,0,0,1|2,0,0]=4 1103 B6R1.4 N[C@H]1CC[C@H]1N MCULE-2823061893 [0,1,0,0,0,1|2,0,0]=4 1104 B6R1.4 N[C@H]1CC[C@H]1N MCULE-6752412872 [0,1,0,0,0,1|2,0,0]=4 1105 B6R1.4 N[C@H]1CC[C@H]1O MCULE-3204268809 [0,1,0,0,0,1|2,0,0]=4 1106 B6R1.4 N[C@H]1CC[C@H]1O MCULE-4184135738 [0,1,0,0,0,1|2,0,0]=4 1107 B6R1.4 N[C@H]1CNC1=O MCULE-2792436534 [0,1,0,0,0,1|2,0,0]=4 1108 B6R1.4 N[C@H]1CNC1=O MCULE-6881316562 [0,1,0,0,0,1|2,0,0]=4 1109 B6R1.4 N[C@H]1CNC1=O MCULE-8864053661 [0,1,0,0,0,1|2,0,0]=4 1110 B6R1.4 N[C@H]1CNC1=O MCULE-9014449253 [0,1,0,0,0,1|2,0,0]=4 1111 B6R1.4 N[C@H]1COC1=O MCULE-4812631526 [0,1,0,0,0,1|1,0,0]=3 1112 B6R1.4 O=C1CCC1Br MCULE-1088592133 [0,1,0,0,0,1|2,0,0]=4 1113 B6R1.4 O=C1CCC1F MCULE-6197375881 [0,1,0,0,0,1|2,0,0]=4 1114 B6R1.4 O=C1CCC1O MCULE-1248327203 [0,1,0,0,0,1|2,0,0]=4 1115 B6R1.4 O=C1CC[C@@H]1Br MCULE-3455449754 [0,1,0,0,0,1|2,0,0]=4 1116 B6R1.4 OC1CCC1O MCULE-3286787157 [0,1,0,0,0,1|2,0,0]=4 1117 B6R1.4 O[C@@H]1CC[C@H]1O MCULE-5060593050 [0,1,0,0,0,1|2,0,0]=4 1118 B6R1.4 O[C@@H]1CC[C@H]1O MCULE-6357622033 [0,1,0,0,0,1|2,0,0]=4 1119 B6R1.4 O[C@H]1CC[C@H]1O MCULE-7964152901 [0,1,0,0,0,1|2,0,0]=4 1120 B6R1.4 [C@@H]1(COC1=O)N MCULE-7456320845 [0,1,0,0,0,1|1,0,0]=3 1121 B6R1.5 C=C1CC(=O)O1 MCULE-7149487095 [0,1,0,0,0,1|0,0,2]=4 1122 B6R1.5 C=C1CC(C1)N MCULE-4635717695 [0,1,0,0,0,1|2,0,0]=4 1123 B6R1.5 C=C1CC(C1)N MCULE-6992894696 [0,1,0,0,0,1|2,0,0]=4 1124 B6R1.5 CC1CC(=O)C1 MCULE-2159393653 [0,1,0,0,0,1|1,0,0]=3 1125 B6R1.5 CC1CC(=O)N1 MCULE-6139592633 [0,1,0,0,0,1|1,0,0]=3 1126 B6R1.5 CC1CC(=O)O1 MCULE-9285847382 [0,1,0,0,0,1|0,0,0]=2 1127 B6R1.5 CC1CC(C1)N MCULE-5323299846 [0,1,0,0,0,1|1,0,0]=3 1128 B6R1.5 CC1CC(C1)N MCULE-9940885824 [0,1,0,0,0,1|1,0,0]=3 1129 B6R1.5 CC1CC(C1)O MCULE-8612661286 [0,1,0,0,0,1|1,0,0]=3 1130 B6R1.5 CC1CC(N1)C MCULE-2112479012 [0,1,0,0,0,1|1,0,0]=3 1131 B6R1.5 CC1CC(N1)C MCULE-4224653730 [0,1,0,0,0,1|1,0,0]=3 1132 B6R1.5 CN1CC(=O)C1 MCULE-1685267969 [0,1,0,0,0,1|2,0,0]=4 1133 B6R1.5 CN1CC(=O)C1 MCULE-2242594777 [0,1,0,0,0,1|2,0,0]=4 1134 B6R1.5 CN1CC(C1)Cl MCULE-8475620447 [0,1,0,0,0,1|2,0,0]=4 1135 B6R1.5 CN1CC(C1)Cl MCULE-8543507391 [0,1,0,0,0,1|2,0,0]=4 1136 B6R1.5 CN1CC(C1)N MCULE-2180239206 [0,1,0,0,0,1|2,0,0]=4 1137 B6R1.5 CN1CC(C1)N MCULE-4181047352 [0,1,0,0,0,1|2,0,0]=4 1138 B6R1.5 CN1CC(C1)O MCULE-2897194266 [0,1,0,0,0,1|2,0,0]=4 1139 B6R1.5 CN1CC(C1)O MCULE-3717153558 [0,1,0,0,0,1|2,0,0]=4 1140 B6R1.5 CN1CC(C1)O MCULE-7229396078 [0,1,0,0,0,1|2,0,0]=4 1141 B6R1.5 C[C@@H]1CC(=O)O1 MCULE-3257475519 [0,1,0,0,0,1|0,0,0]=2 1142 B6R1.5 C[C@@H]1C[C@H](N1)C MCULE-1994890312 [0,1,0,0,0,1|1,0,0]=3 1143 B6R1.5 C[C@@H]1C[C@H](N1)C MCULE-7235151096 [0,1,0,0,0,1|1,0,0]=3 1144 B6R1.5 C[C@H]1C[C@@H](C1)N MCULE-1535311916 [0,1,0,0,0,1|1,0,0]=3 1145 B6R1.5 C[C@H]1C[C@@H](C1)N MCULE-2831484375 [0,1,0,0,0,1|1,0,0]=3 1146 B6R1.5 C[C@H]1C[C@@H](N1)C MCULE-4062075526 [0,1,0,0,0,1|1,0,0]=3 1147 B6R1.5 C[C@H]1C[C@@H](N1)C MCULE-8779826872 [0,1,0,0,0,1|1,0,0]=3 1148 B6R1.5 C[C@H]1C[C@@H](N1)C MCULE-9842353775 [0,1,0,0,0,1|1,0,0]=3 1149 B6R1.5 C[C@H]1C[C@@H](N1)C MCULE-9945333960 [0,1,0,0,0,1|1,0,0]=3 1150 B6R1.5 C[C@H]1C[C@H](C1)N MCULE-7323273959 [0,1,0,0,0,1|1,0,0]=3 1151 B6R1.5 C[C@H]1C[C@H](C1)N MCULE-9517005721 [0,1,0,0,0,1|1,0,0]=3 1152 B6R1.5 C[C@H]1C[C@H](C1)O MCULE-9757332081 [0,1,0,0,0,1|1,0,0]=3 1153 B6R1.5 C[C@H]1C[C@H](N1)C MCULE-1014047015 [0,1,0,0,0,1|1,0,0]=3 1154 B6R1.5 C[C@H]1C[C@H](N1)C MCULE-9280852387 [0,1,0,0,0,1|1,0,0]=3 1155 B6R1.5 NC1CC(=O)C1 MCULE-3450860282 [0,1,0,0,0,1|2,0,0]=4 1156 B6R1.5 NC1CC(=O)C1 MCULE-5974961836 [0,1,0,0,0,1|2,0,0]=4 1157 B6R1.5 NC1CC(C1)Br MCULE-1024702653 [0,1,0,0,0,1|2,0,0]=4 1158 B6R1.5 NC1CC(C1)Br MCULE-6956910745 [0,1,0,0,0,1|2,0,0]=4 1159 B6R1.5 NC1CC(C1)Cl MCULE-2079032271 [0,1,0,0,0,1|2,0,0]=4 1160 B6R1.5 NC1CC(C1)Cl MCULE-9907911910 [0,1,0,0,0,1|2,0,0]=4 1161 B6R1.5 NC1CC(C1)F MCULE-8668562856 [0,1,0,0,0,1|2,0,0]=4 1162 B6R1.5 NC1CC(C1)F MCULE-9413732351 [0,1,0,0,0,1|2,0,0]=4 1163 B6R1.5 NC1CC(C1)N MCULE-2499828215 [0,1,0,0,0,1|2,0,0]=4 1164 B6R1.5 NC1CC(C1)N MCULE-9585725038 [0,1,0,0,0,1|2,0,0]=4 1165 B6R1.5 NC1CC(C1)O MCULE-3800806511 [0,1,0,0,0,1|2,0,0]=4 1166 B6R1.5 NC1CC(C1)O MCULE-4101412744 [0,1,0,0,0,1|2,0,0]=4 1167 B6R1.5 NN1CC(C1)O MCULE-1883589988 [0,1,0,0,0,1|2,0,0]=4 1168 B6R1.5 NN1CC(C1)O MCULE-4736517920 [0,1,0,0,0,1|2,0,0]=4 1169 B6R1.5 N[C@H]1C[C@@H](C1)Br MCULE-2563959776 [0,1,0,0,0,1|2,0,0]=4 1170 B6R1.5 N[C@H]1C[C@@H](C1)Br MCULE-4159438704 [0,1,0,0,0,1|2,0,0]=4 1171 B6R1.5 N[C@H]1C[C@@H](C1)F MCULE-1693657713 [0,1,0,0,0,1|2,0,0]=4 1172 B6R1.5 N[C@H]1C[C@@H](C1)F MCULE-2842964955 [0,1,0,0,0,1|2,0,0]=4 1173 B6R1.5 N[C@H]1C[C@@H](C1)N MCULE-7371432215 [0,1,0,0,0,1|2,0,0]=4 1174 B6R1.5 N[C@H]1C[C@@H](C1)O MCULE-3690359453 [0,1,0,0,0,1|2,0,0]=4 1175 B6R1.5 N[C@H]1C[C@@H](C1)O MCULE-6031478808 [0,1,0,0,0,1|2,0,0]=4 1176 B6R1.5 N[C@H]1C[C@H](C1)F MCULE-7248556800 [0,1,0,0,0,1|2,0,0]=4 1177 B6R1.5 N[C@H]1C[C@H](C1)F MCULE-8169894230 [0,1,0,0,0,1|2,0,0]=4 1178 B6R1.5 N[C@H]1C[C@H](C1)N MCULE-2358029728 [0,1,0,0,0,1|2,0,0]=4 1179 B6R1.5 N[C@H]1C[C@H](C1)N MCULE-8703864989 [0,1,0,0,0,1|2,0,0]=4 1180 B6R1.5 N[C@H]1C[C@H](C1)O MCULE-2367486822 [0,1,0,0,0,1|2,0,0]=4 1181 B6R1.5 N[C@H]1C[C@H](C1)O MCULE-2477923057 [0,1,0,0,0,1|2,0,0]=4 1182 B6R1.5 O=C1CC(C1)Br MCULE-1715982282 [0,1,0,0,0,1|2,0,0]=4 1183 B6R1.5 O=C1CC(C1)F MCULE-2541516698 [0,1,0,0,0,1|2,0,0]=4 1184 B6R1.5 O=C1CC(C1)O MCULE-7099112258 [0,1,0,0,0,1|2,0,0]=4 1185 B6R1.5 OC1CC(C1)Br MCULE-8550195809 [0,1,0,0,0,1|2,0,0]=4 1186 B6R1.5 OC1CC(C1)F MCULE-7130501241 [0,1,0,0,0,1|2,0,0]=4 1187 B6R1.5 OC1CC(C1)O MCULE-4391504671 [0,1,0,0,0,1|2,0,0]=4 1188 B6R1.5 O[C@H]1C[C@@H](C1)F MCULE-8960643165 [0,1,0,0,0,1|2,0,0]=4 1189 B6R1.5 O[C@H]1C[C@@H](C1)O MCULE-5524471729 [0,1,0,0,0,1|2,0,0]=4 1190 B6R1.5 O[C@H]1C[C@H](C1)O MCULE-7725166436 [0,1,0,0,0,1|2,0,0]=4 1191 B6R1.5 [C@@H]1(C[C@@H](C1)N)N MCULE-6268630823 [0,1,0,0,0,1|2,0,0]=4 1192 B6R1.5 [C@@H]1(C[C@H](C1)F)O MCULE-5214761916 [0,1,0,0,0,1|2,0,0]=4 1193 B6R1.6 BrCC1CCC1 MCULE-6307620219 [0,1,0,0,0,1|1,0,0]=3 1194 B6R1.6 BrCC1CCO1 MCULE-8997197221 [0,1,0,0,0,1|0,0,0]=2 1195 B6R1.6 BrCC1CNC1 MCULE-5889797727 [0,1,0,0,0,1|1,0,0]=3 1196 B6R1.6 BrCC1CNC1 MCULE-7668948015 [0,1,0,0,0,1|1,0,0]=3 1197 B6R1.6 BrCC1COC1 MCULE-3267235863 [0,1,0,0,0,1|0,0,0]=2 1198 B6R1.6 BrC[C@@H]1CCO1 MCULE-5332541596 [0,1,0,0,0,1|0,0,0]=2 1199 B6R1.6 BrC[C@H]1CCO1 MCULE-4327725094 [0,1,0,0,0,1|0,0,0]=2 1200 B6R1.6 BrC[C@H]1CCO1 MCULE-5319595119 [0,1,0,0,0,1|0,0,0]=2 1201 B6R1.6 C#CC1CCC1 MCULE-3076610847 [0,1,0,0,0,1|1,0,1]=4 1202 B6R1.6 C#CC1CCN1 MCULE-4919064001 [0,1,0,0,0,1|1,0,1]=4 1203 B6R1.6 C#CC1CCN1 MCULE-9869131517 [0,1,0,0,0,1|1,0,1]=4 1204 B6R1.6 C#CC1CCO1 MCULE-6571223458 [0,1,0,0,0,1|0,0,1]=3 1205 B6R1.6 C#CC1CNC1 MCULE-4651971465 [0,1,0,0,0,1|1,0,1]=4 1206 B6R1.6 C#CC1CNC1 MCULE-9377887865 [0,1,0,0,0,1|1,0,1]=4 1207 B6R1.6 C#CC1COC1 MCULE-8724712442 [0,1,0,0,0,1|0,0,1]=3 1208 B6R1.6 C1(CCN1)CO MCULE-6309114010 [0,1,0,0,0,1|1,0,0]=3 1209 B6R1.6 C=CC1CNC1 MCULE-9929515921 [0,1,0,0,0,1|1,0,1]=4 1210 B6R1.6 CCC1CCN1 MCULE-2791335818 [0,1,0,0,0,1|1,0,0]=3 1211 B6R1.6 CCC1CCN1 MCULE-3929810240 [0,1,0,0,0,1|1,0,0]=3 1212 B6R1.6 CCC1CNC1 MCULE-5314495230 [0,1,0,0,0,1|1,0,0]=3 1213 B6R1.6 CCC1CNC1 MCULE-6675770601 [0,1,0,0,0,1|1,0,0]=3 1214 B6R1.6 CNC1CCC1 MCULE-1364608179 [0,1,0,0,0,1|1,0,0]=3 1215 B6R1.6 CNC1CCC1 MCULE-2951993315 [0,1,0,0,0,1|1,0,0]=3 1216 B6R1.6 CNC1CCN1 MCULE-7769870554 [0,1,0,0,0,1|1,0,0]=3 1217 B6R1.6 CNC1CCN1 MCULE-9764026934 [0,1,0,0,0,1|1,0,0]=3 1218 B6R1.6 CNC1CNC1 MCULE-1099597328 [0,1,0,0,0,1|1,0,0]=3 1219 B6R1.6 CNC1CNC1 MCULE-1308867000 [0,1,0,0,0,1|1,0,0]=3 1220 B6R1.6 CNC1COC1 MCULE-2040978636 [0,1,0,0,0,1|0,0,0]=2 1221 B6R1.6 CNC1COC1 MCULE-3130259264 [0,1,0,0,0,1|0,0,0]=2 1222 B6R1.6 CNC1COC1 MCULE-4618612030 [0,1,0,0,0,1|0,0,0]=2 1223 B6R1.6 CNC1CSC1 MCULE-6729829548 [0,1,0,0,0,1|0,1,0]=3 1224 B6R1.6 CNC1CSC1 MCULE-7173779891 [0,1,0,0,0,1|0,1,0]=3 1225 B6R1.6 COC1CNC1 MCULE-1522685592 [0,1,0,0,0,1|1,0,0]=3 1226 B6R1.6 COC1CNC1 MCULE-4835486151 [0,1,0,0,0,1|1,0,0]=3 1227 B6R1.6 CSC1CNC1 MCULE-2006549414 [0,1,0,0,0,1|1,0,0]=3 1228 B6R1.6 CSC1CNC1 MCULE-6024405532 [0,1,0,0,0,1|1,0,0]=3 1229 B6R1.6 ClCC1CCC1 MCULE-2464596839 [0,1,0,0,0,1|1,0,0]=3 1230 B6R1.6 ClCC1CCO1 MCULE-3809712491 [0,1,0,0,0,1|0,0,0]=2 1231 B6R1.6 ClCC1CNC1 MCULE-2451543932 [0,1,0,0,0,1|1,0,0]=3 1232 B6R1.6 ClCC1CNC1 MCULE-9626195989 [0,1,0,0,0,1|1,0,0]=3 1233 B6R1.6 ClCC1COC1 MCULE-1144637548 [0,1,0,0,0,1|0,0,0]=2 1234 B6R1.6 FCC1CCN1 MCULE-1368993155 [0,1,0,0,0,1|1,0,0]=3 1235 B6R1.6 FCC1CCN1 MCULE-8515014805 [0,1,0,0,0,1|1,0,0]=3 1236 B6R1.6 FCC1CCN1 MCULE-9723993015 [0,1,0,0,0,1|1,0,0]=3 1237 B6R1.6 FCC1CNC1 MCULE-4813599184 [0,1,0,0,0,1|1,0,0]=3 1238 B6R1.6 FCC1CNC1 MCULE-5694626686 [0,1,0,0,0,1|1,0,0]=3 1239 B6R1.6 FC[C@@H]1CCN1 MCULE-3863169127 [0,1,0,0,0,1|1,0,0]=3 1240 B6R1.6 FC[C@@H]1CCN1 MCULE-6069828502 [0,1,0,0,0,1|1,0,0]=3 1241 B6R1.6 FC[C@@H]1CCN1 MCULE-7267455157 [0,1,0,0,0,1|1,0,0]=3 1242 B6R1.6 FC[C@@H]1CCN1 MCULE-8157561423 [0,1,0,0,0,1|1,0,0]=3 1243 B6R1.6 FC[C@H]1CCN1 MCULE-3092369600 [0,1,0,0,0,1|1,0,0]=3 1244 B6R1.6 FC[C@H]1CCN1 MCULE-6708783004 [0,1,0,0,0,1|1,0,0]=3 1245 B6R1.6 ICC1CCC1 MCULE-7767711699 [0,1,0,0,0,1|1,0,0]=3 1246 B6R1.6 ICC1CCO1 MCULE-4132798336 [0,1,0,0,0,1|0,0,0]=2 1247 B6R1.6 ICC1COC1 MCULE-6325029437 [0,1,0,0,0,1|0,0,0]=2 1248 B6R1.6 N#CC1CCC1 MCULE-3335810526 [0,1,0,0,0,1|1,0,1]=4 1249 B6R1.6 N#CC1CCN1 MCULE-1911621774 [0,1,0,0,0,1|1,0,1]=4 1250 B6R1.6 N#CC1CCN1 MCULE-4794260273 [0,1,0,0,0,1|1,0,1]=4 1251 B6R1.6 N#CC1CCN1 MCULE-9823982389 [0,1,0,0,0,1|1,0,1]=4 1252 B6R1.6 N#CC1CNC1 MCULE-2385981463 [0,1,0,0,0,1|1,0,1]=4 1253 B6R1.6 N#CC1CNC1 MCULE-6516721657 [0,1,0,0,0,1|1,0,1]=4 1254 B6R1.6 N#CC1COC1 MCULE-8173442458 [0,1,0,0,0,1|0,0,1]=3 1255 B6R1.6 N#CC1CSC1 MCULE-8903032109 [0,1,0,0,0,1|0,1,1]=4 1256 B6R1.6 N#C[C@@H]1CCN1 MCULE-1138328452 [0,1,0,0,0,1|1,0,1]=4 1257 B6R1.6 N#C[C@@H]1CCN1 MCULE-5332905379 [0,1,0,0,0,1|1,0,1]=4 1258 B6R1.6 N#C[C@@H]1CCN1 MCULE-6157011731 [0,1,0,0,0,1|1,0,1]=4 1259 B6R1.6 N#C[C@@H]1CCN1 MCULE-8276413658 [0,1,0,0,0,1|1,0,1]=4 1260 B6R1.6 N#C[C@H]1CCN1 MCULE-1867811844 [0,1,0,0,0,1|1,0,1]=4 1261 B6R1.6 N#C[C@H]1CCN1 MCULE-2164621620 [0,1,0,0,0,1|1,0,1]=4 1262 B6R1.6 N#C[C@H]1CCN1 MCULE-7854885202 [0,1,0,0,0,1|1,0,1]=4 1263 B6R1.6 N#C[C@H]1CCN1 MCULE-8486466797 [0,1,0,0,0,1|1,0,1]=4 1264 B6R1.6 N#C[C@H]1CCN1 MCULE-9219109892 [0,1,0,0,0,1|1,0,1]=4 1265 B6R1.6 NCC1CCC1 MCULE-4977602211 [0,1,0,0,0,1|1,0,0]=3 1266 B6R1.6 NCC1CCC1 MCULE-8434128112 [0,1,0,0,0,1|1,0,0]=3 1267 B6R1.6 NCC1CCN1 MCULE-4988917629 [0,1,0,0,0,1|1,0,0]=3 1268 B6R1.6 NCC1CCN1 MCULE-5495577627 [0,1,0,0,0,1|1,0,0]=3 1269 B6R1.6 NCC1CCN1 MCULE-7749596260 [0,1,0,0,0,1|1,0,0]=3 1270 B6R1.6 NCC1CCO1 MCULE-4478591600 [0,1,0,0,0,1|0,0,0]=2 1271 B6R1.6 NCC1CCS1 MCULE-4026106833 [0,1,0,0,0,1|0,1,0]=3 1272 B6R1.6 NCC1CCS1 MCULE-5342015412 [0,1,0,0,0,1|0,1,0]=3 1273 B6R1.6 NCC1CNC1 MCULE-7601725567 [0,1,0,0,0,1|1,0,0]=3 1274 B6R1.6 NCC1CNC1 MCULE-7948891652 [0,1,0,0,0,1|1,0,0]=3 1275 B6R1.6 NCC1COC1 MCULE-4685637013 [0,1,0,0,0,1|0,0,0]=2 1276 B6R1.6 NCC1COC1 MCULE-6896653344 [0,1,0,0,0,1|0,0,0]=2 1277 B6R1.6 NCC1CSC1 MCULE-2317140221 [0,1,0,0,0,1|0,1,0]=3 1278 B6R1.6 NCC1CSC1 MCULE-2885312159 [0,1,0,0,0,1|0,1,0]=3 1279 B6R1.6 NC[C@@H]1CCO1 MCULE-2375359339 [0,1,0,0,0,1|0,0,0]=2 1280 B6R1.6 NC[C@@H]1CCO1 MCULE-4004256578 [0,1,0,0,0,1|0,0,0]=2 1281 B6R1.6 NC[C@H]1CCN1 MCULE-2270552795 [0,1,0,0,0,1|1,0,0]=3 1282 B6R1.6 NC[C@H]1CCN1 MCULE-2882990554 [0,1,0,0,0,1|1,0,0]=3 1283 B6R1.6 NC[C@H]1CCO1 MCULE-2811111103 [0,1,0,0,0,1|0,0,0]=2 1284 B6R1.6 NC[C@H]1CCO1 MCULE-4329808216 [0,1,0,0,0,1|0,0,0]=2 1285 B6R1.6 NC[C@H]1CCO1 MCULE-9974781002 [0,1,0,0,0,1|0,0,0]=2 1286 B6R1.6 NNC1CCC1 MCULE-2058855063 [0,1,0,0,0,1|2,0,0]=4 1287 B6R1.6 NNC1CCC1 MCULE-2355527907 [0,1,0,0,0,1|2,0,0]=4 1288 B6R1.6 NNC1CCC1 MCULE-7674249555 [0,1,0,0,0,1|2,0,0]=4 1289 B6R1.6 NNC1CNC1 MCULE-1383746939 [0,1,0,0,0,1|2,0,0]=4 1290 B6R1.6 NNC1CNC1 MCULE-8167393861 [0,1,0,0,0,1|2,0,0]=4 1291 B6R1.6 NNC1COC1 MCULE-2986078946 [0,1,0,0,0,1|1,0,0]=3 1292 B6R1.6 NNC1COC1 MCULE-4662390820 [0,1,0,0,0,1|1,0,0]=3 1293 B6R1.6 NNC1COC1 MCULE-7804737341 [0,1,0,0,0,1|1,0,0]=3 1294 B6R1.6 NNC1CSC1 MCULE-2341298971 [0,1,0,0,0,1|1,1,0]=4 1295 B6R1.6 NNC1CSC1 MCULE-6513117263 [0,1,0,0,0,1|1,1,0]=4 1296 B6R1.6 NNC1CSC1 MCULE-9957779440 [0,1,0,0,0,1|1,1,0]=4 1297 B6R1.6 NOC1CCC1 MCULE-2140396646 [0,1,0,0,0,1|2,0,0]=4 1298 B6R1.6 NOC1CCC1 MCULE-9347173321 [0,1,0,0,0,1|2,0,0]=4 1299 B6R1.6 NOC1COC1 MCULE-1949996102 [0,1,0,0,0,1|1,0,0]=3 1300 B6R1.6 O=CC1CCC1 MCULE-8678026416 [0,1,0,0,0,1|1,0,1]=4 1301 B6R1.6 O=CC1COC1 MCULE-3773699476 [0,1,0,0,0,1|0,0,1]=3 1302 B6R1.6 O=CC1CSC1 MCULE-2648443908 [0,1,0,0,0,1|0,1,1]=4 1303 B6R1.6 OCC1CCC1 MCULE-3046613150 [0,1,0,0,0,1|1,0,0]=3 1304 B6R1.6 OCC1CCN1 MCULE-1812443062 [0,1,0,0,0,1|1,0,0]=3 1305 B6R1.6 OCC1CCN1 MCULE-8390631765 [0,1,0,0,0,1|1,0,0]=3 1306 B6R1.6 OCC1CCO1 MCULE-7120761203 [0,1,0,0,0,1|0,0,0]=2 1307 B6R1.6 OCC1CCO1 MCULE-7517577386 [0,1,0,0,0,1|0,0,0]=2 1308 B6R1.6 OCC1CNC1 MCULE-1537874886 [0,1,0,0,0,1|1,0,0]=3 1309 B6R1.6 OCC1CNC1 MCULE-8316085177 [0,1,0,0,0,1|1,0,0]=3 1310 B6R1.6 OCC1COC1 MCULE-5031415478 [0,1,0,0,0,1|0,0,0]=2 1311 B6R1.6 OCC1CSC1 MCULE-9388221183 [0,1,0,0,0,1|0,1,0]=3 1312 B6R1.6 OC[C@@H]1CCN1 MCULE-5565957906 [0,1,0,0,0,1|1,0,0]=3 1313 B6R1.6 OC[C@@H]1CCN1 MCULE-7064010066 [0,1,0,0,0,1|1,0,0]=3 1314 B6R1.6 OC[C@@H]1CCN1 MCULE-7539121327 [0,1,0,0,0,1|1,0,0]=3 1315 B6R1.6 OC[C@@H]1CCN1 MCULE-9740096939 [0,1,0,0,0,1|1,0,0]=3 1316 B6R1.6 OC[C@@H]1CCO1 MCULE-7613449097 [0,1,0,0,0,1|0,0,0]=2 1317 B6R1.6 OC[C@@H]1CCO1 MCULE-9444003682 [0,1,0,0,0,1|0,0,0]=2 1318 B6R1.6 OC[C@H]1CCN1 MCULE-5733363493 [0,1,0,0,0,1|1,0,0]=3 1319 B6R1.6 OC[C@H]1CCN1 MCULE-8466413816 [0,1,0,0,0,1|1,0,0]=3 1320 B6R1.6 OC[C@H]1CCO1 MCULE-1446169257 [0,1,0,0,0,1|0,0,0]=2 1321 B6R1.6 OC[C@H]1CCO1 MCULE-2929052431 [0,1,0,0,0,1|0,0,0]=2 1322 B6R1.6 SCC1CCC1 MCULE-4083757063 [0,1,0,0,0,1|1,0,0]=3 1323 B6R1.6 SCC1COC1 MCULE-7193197469 [0,1,0,0,0,1|0,0,0]=2 1324 B6R1.10 CC1(CCC1)N MCULE-1932351179 [0,1,0,0,0,1|1,0,0]=3 1325 B6R1.10 CC1(CCC1)N MCULE-9177696302 [0,1,0,0,0,1|1,0,0]=3 1326 B6R1.10 CC1(CCC1)O MCULE-4021675717 [0,1,0,0,0,1|1,0,0]=3 1327 B6R1.10 CC1(CCN1)C MCULE-2285435720 [0,1,0,0,0,1|1,0,0]=3 1328 B6R1.10 CC1(CCN1)C MCULE-3069932253 [0,1,0,0,0,1|1,0,0]=3 1329 B6R1.10 CC1(CNC1)C MCULE-3517219548 [0,1,0,0,0,1|1,0,0]=3 1330 B6R1.10 CC1(CNC1)C MCULE-5061041754 [0,1,0,0,0,1|1,0,0]=3 1331 B6R1.10 CC1(CNC1)C MCULE-5492476724 [0,1,0,0,0,1|1,0,0]=3 1332 B6R1.10 CC1(CNC1)Cl MCULE-3595140428 [0,1,0,0,0,1|1,0,0]=3 1333 B6R1.10 CC1(CNC1)Cl MCULE-8438469477 [0,1,0,0,0,1|1,0,0]=3 1334 B6R1.10 CC1(CNC1)F MCULE-7000543505 [0,1,0,0,0,1|1,0,0]=3 1335 B6R1.10 CC1(CNC1)F MCULE-7759338569 [0,1,0,0,0,1|1,0,0]=3 1336 B6R1.10 CC1(CNC1)F MCULE-9304965411 [0,1,0,0,0,1|1,0,0]=3 1337 B6R1.10 CC1(CNC1)N MCULE-1173151740 [0,1,0,0,0,1|1,0,0]=3 1338 B6R1.10 CC1(CNC1)N MCULE-6392665768 [0,1,0,0,0,1|1,0,0]=3 1339 B6R1.10 CC1(CNC1)O MCULE-3071077269 [0,1,0,0,0,1|1,0,0]=3 1340 B6R1.10 CC1(CNC1)O MCULE-9470244891 [0,1,0,0,0,1|1,0,0]=3 1341 B6R1.10 CC1(COC1)C MCULE-9708520911 [0,1,0,0,0,1|0,0,0]=2 1342 B6R1.10 CC1(COC1)N MCULE-4010481806 [0,1,0,0,0,1|0,0,0]=2 1343 B6R1.10 CC1(COC1)N MCULE-5777029344 [0,1,0,0,0,1|0,0,0]=2 1344 B6R1.10 CC1(COC1)N MCULE-6613141585 [0,1,0,0,0,1|0,0,0]=2 1345 B6R1.10 CC1(COC1)O MCULE-9813168910 [0,1,0,0,0,1|0,0,0]=2 1346 B6R1.10 CC1(CSC1)N MCULE-7421240458 [0,1,0,0,0,1|0,1,0]=3 1347 B6R1.10 CC1(CSC1)N MCULE-9910201476 [0,1,0,0,0,1|0,1,0]=3 1348 B6R1.10 CC1(CSC1)O MCULE-9703448589 [0,1,0,0,0,1|0,1,0]=3 1349 B6R1.10 C[Si]1(CCC1)C MCULE-9944003023 [0,1,0,0,0,1|1,1,0]=4 1350 B6R1.10 C[Si]1(CCC1)Cl MCULE-2261277636 [0,1,0,0,0,1|1,1,0]=4 1351 B6R1.10 FC1(CNC1)F MCULE-2222992288 [0,1,0,0,0,1|2,0,0]=4 1352 B6R1.10 FC1(CNC1)F MCULE-3193422535 [0,1,0,0,0,1|2,0,0]=4 1353 B6R1.10 FC1(COC1)F MCULE-3409014198 [0,1,0,0,0,1|1,0,0]=3 1354 B6R1.3 Br/C=C/C1CC1 MCULE-8231904960 [0,2,0,0,0,0|1,0,1]=4 1355 B6R1.3 BrC#CC1CC1 MCULE-3549954244 [0,2,0,0,0,0|1,0,1]=4 1356 B6R1.3 BrC=CC1CC1 MCULE-7061395349 [0,2,0,0,0,0|1,0,1]=4 1357 B6R1.3 BrCCC1CC1 MCULE-3454213225 [0,2,0,0,0,0|1,0,0]=3 1358 B6R1.3 BrCCC1CO1 MCULE-9889314000 [0,2,0,0,0,0|0,0,0]=2 1359 B6R1.3 BrCC[C@@H]1CO1 MCULE-7015242723 [0,2,0,0,0,0|0,0,0]=2 1360 B6R1.3 BrCC[C@H]1CO1 MCULE-3286755305 [0,2,0,0,0,0|0,0,0]=2 1361 B6R1.3 BrCC[C@H]1CO1 MCULE-3512143037 [0,2,0,0,0,0|0,0,0]=2 1362 B6R1.3 C#CCC1CC1 MCULE-4980990503 [0,2,0,0,0,0|1,0,0]=3 1363 B6R1.3 CC#CC1CC1 MCULE-8441018700 [0,2,0,0,0,0|1,0,0]=3 1364 B6R1.3 CCCC1CO1 MCULE-5080039224 [0,2,0,0,0,0|0,0,0]=2 1365 B6R1.3 CCC[C@@H]1CO1 MCULE-1815222100 [0,2,0,0,0,0|0,0,0]=2 1366 B6R1.3 CCC[C@H]1CO1 MCULE-9952368131 [0,2,0,0,0,0|0,0,0]=2 1367 B6R1.3 CCNC1CC1 MCULE-6542327880 [0,2,0,0,0,0|1,0,0]=3 1368 B6R1.3 CCNC1CC1 MCULE-6804557809 [0,2,0,0,0,0|1,0,0]=3 1369 B6R1.3 CCNC1CC1 MCULE-7846800898 [0,2,0,0,0,0|1,0,0]=3 1370 B6R1.3 CNCC1CC1 MCULE-4410938050 [0,2,0,0,0,0|1,0,0]=3 1371 B6R1.3 CNCC1CC1 MCULE-6365201280 [0,2,0,0,0,0|1,0,0]=3 1372 B6R1.3 COCC1CO1 MCULE-3193889854 [0,2,0,0,0,0|0,0,0]=2 1373 B6R1.3 COC[C@@H]1CO1 MCULE-8086795507 [0,2,0,0,0,0|0,0,0]=2 1374 B6R1.3 COC[C@@H]1CO1 MCULE-8921875584 [0,2,0,0,0,0|0,0,0]=2 1375 B6R1.3 COC[C@H]1CO1 MCULE-7210190703 [0,2,0,0,0,0|0,0,0]=2 1376 B6R1.3 COC[C@H]1CO1 MCULE-8979404390 [0,2,0,0,0,0|0,0,0]=2 1377 B6R1.3 CONC1CC1 MCULE-3903074552 [0,2,0,0,0,0|1,0,0]=3 1378 B6R1.3 CONC1CC1 MCULE-6248549552 [0,2,0,0,0,0|1,0,0]=3 1379 B6R1.3 CSCC1CO1 MCULE-9014850650 [0,2,0,0,0,0|0,0,0]=2 1380 B6R1.3 ClCCC1CC1 MCULE-5665496795 [0,2,0,0,0,0|1,0,0]=3 1381 B6R1.3 ClCCC1CO1 MCULE-2772510260 [0,2,0,0,0,0|0,0,0]=2 1382 B6R1.3 ICCC1CC1 MCULE-5518738700 [0,2,0,0,0,0|1,0,0]=3 1383 B6R1.3 N#CCC1CC1 MCULE-4951047709 [0,2,0,0,0,0|1,0,0]=3 1384 B6R1.3 N#N=NC1CC1 MCULE-9431259556 [0,2,0,0,0,0|2,0,0]=4 1385 B6R1.3 NCCC1CC1 MCULE-8459735325 [0,2,0,0,0,0|1,0,0]=3 1386 B6R1.3 NCCC1CC1 MCULE-9646218986 [0,2,0,0,0,0|1,0,0]=3 1387 B6R1.3 NCCN1CC1 MCULE-3554584147 [0,2,0,0,0,0|2,0,0]=4 1388 B6R1.3 NNCC1CC1 MCULE-4020404918 [0,2,0,0,0,0|1,0,0]=3 1389 B6R1.3 NNCC1CC1 MCULE-7742306770 [0,2,0,0,0,0|1,0,0]=3 1390 B6R1.3 NNCC1CC1 MCULE-8978618772 [0,2,0,0,0,0|1,0,0]=3 1391 B6R1.3 NOCC1CC1 MCULE-3594146552 [0,2,0,0,0,0|1,0,0]=3 1392 B6R1.3 NOCC1CC1 MCULE-7376211865 [0,2,0,0,0,0|1,0,0]=3 1393 B6R1.3 O=C=NC1CC1 MCULE-8769435962 [0,2,0,0,0,0|1,0,1]=4 1394 B6R1.3 O=CCC1CC1 MCULE-3319649937 [0,2,0,0,0,0|1,0,0]=3 1395 B6R1.3 O=CNC1CC1 MCULE-6602451187 [0,2,0,0,0,0|1,0,1]=4 1396 B6R1.3 OCCC1CC1 MCULE-1360348684 [0,2,0,0,0,0|1,0,0]=3 1397 B6R1.3 OCCC1CO1 MCULE-6523000607 [0,2,0,0,0,0|0,0,0]=2 1398 B6R1.3 OCCN1CC1 MCULE-3845187783 [0,2,0,0,0,0|2,0,0]=4 1399 B6R1.3 OCC[C@@H]1CO1 MCULE-4797533590 [0,2,0,0,0,0|0,0,0]=2 1400 B6R1.3 OCC[C@@H]1CO1 MCULE-6833850805 [0,2,0,0,0,0|0,0,0]=2 1401 B6R1.3 OCC[C@H]1CO1 MCULE-3560802495 [0,2,0,0,0,0|0,0,0]=2 1402 B6R1.3 OCC[C@H]1CO1 MCULE-8738926598 [0,2,0,0,0,0|0,0,0]=2 1403 B6R1.3 S=C=NC1CC1 MCULE-5041896509 [0,2,0,0,0,0|1,0,1]=4 1404 B6R1.7 BrCC1(CC1)Br MCULE-3664717874 [0,2,0,0,0,0|1,0,0]=3 1405 B6R1.7 C#CC1(CC1)C MCULE-7036163809 [0,2,0,0,0,0|1,0,0]=3 1406 B6R1.7 C#CC1(CC1)N MCULE-2111588628 [0,2,0,0,0,0|1,0,1]=4 1407 B6R1.7 C#CC1(CC1)N MCULE-6233600820 [0,2,0,0,0,0|1,0,1]=4 1408 B6R1.7 C#CC1(CC1)O MCULE-2391074408 [0,2,0,0,0,0|1,0,1]=4 1409 B6R1.7 C=CC1(CC1)O MCULE-4527683750 [0,2,0,0,0,0|1,0,1]=4 1410 B6R1.7 C=CC1(CO1)C MCULE-2507036726 [0,2,0,0,0,0|0,0,0]=2 1411 B6R1.7 CC1(CC1)C#N MCULE-1818955537 [0,2,0,0,0,0|1,0,0]=3 1412 B6R1.7 CC1(CC1)C=O MCULE-3651219428 [0,2,0,0,0,0|1,0,0]=3 1413 B6R1.7 CC1(CC1)CBr MCULE-7638105894 [0,2,0,0,0,0|1,0,0]=3 1414 B6R1.7 CC1(CC1)CCl MCULE-5653369516 [0,2,0,0,0,0|1,0,0]=3 1415 B6R1.7 CC1(CC1)CN MCULE-2933267296 [0,2,0,0,0,0|1,0,0]=3 1416 B6R1.7 CC1(CC1)CN MCULE-6561269012 [0,2,0,0,0,0|1,0,0]=3 1417 B6R1.7 CC1(CC1)CO MCULE-9292264802 [0,2,0,0,0,0|1,0,0]=3 1418 B6R1.7 CC1(CO1)CBr MCULE-5372688659 [0,2,0,0,0,0|0,0,0]=2 1419 B6R1.7 CC1(CO1)CCl MCULE-8847094307 [0,2,0,0,0,0|0,0,0]=2 1420 B6R1.7 CC1(CO1)CO MCULE-1000912721 [0,2,0,0,0,0|0,0,0]=2 1421 B6R1.7 CC1(N=N1)CN MCULE-9632613863 [0,2,0,0,0,0|2,0,0]=4 1422 B6R1.7 CC1(N=N1)CN MCULE-9741209062 [0,2,0,0,0,0|2,0,0]=4 1423 B6R1.7 CC1(N=N1)CO MCULE-3111044066 [0,2,0,0,0,0|2,0,0]=4 1424 B6R1.7 CCC1(CC1)N MCULE-3440893089 [0,2,0,0,0,0|1,0,0]=3 1425 B6R1.7 CCC1(CC1)N MCULE-8936334501 [0,2,0,0,0,0|1,0,0]=3 1426 B6R1.7 CCC1(CC1)O MCULE-7491011687 [0,2,0,0,0,0|1,0,0]=3 1427 B6R1.7 CCC1(CO1)C MCULE-5308881519 [0,2,0,0,0,0|0,0,0]=2 1428 B6R1.7 CNC1(CC1)C MCULE-5271625822 [0,2,0,0,0,0|1,0,0]=3 1429 B6R1.7 CNC1(CC1)C MCULE-9473196269 [0,2,0,0,0,0|1,0,0]=3 1430 B6R1.7 C[C@@]1(CO1)CO MCULE-2087028484 [0,2,0,0,0,0|0,0,0]=2 1431 B6R1.7 C[C@@]1(CO1)CO MCULE-6244999634 [0,2,0,0,0,0|0,0,0]=2 1432 B6R1.7 C[C@]1(CO1)CO MCULE-1098652766 [0,2,0,0,0,0|0,0,0]=2 1433 B6R1.7 C[C@]1(CO1)CO MCULE-9811443530 [0,2,0,0,0,0|0,0,0]=2 1434 B6R1.7 ClC1(CC1)CBr MCULE-5738182750 [0,2,0,0,0,0|1,0,0]=3 1435 B6R1.7 ClCC1(CC1)Br MCULE-5375999277 [0,2,0,0,0,0|1,0,0]=3 1436 B6R1.7 FC1(CC1)CBr MCULE-9308548759 [0,2,0,0,0,0|1,0,0]=3 1437 B6R1.7 N#CC1(CC1)Br MCULE-4275489303 [0,2,0,0,0,0|1,0,1]=4 1438 B6R1.7 N#CC1(CC1)N MCULE-2345532836 [0,2,0,0,0,0|1,0,1]=4 1439 B6R1.7 N#CC1(CC1)N MCULE-6976493694 [0,2,0,0,0,0|1,0,1]=4 1440 B6R1.7 N#CC1(CC1)O MCULE-1394111227 [0,2,0,0,0,0|1,0,1]=4 1441 B6R1.7 NC1(CC1)CF MCULE-3560419554 [0,2,0,0,0,0|1,0,0]=3 1442 B6R1.7 NC1(CC1)CF MCULE-5037711402 [0,2,0,0,0,0|1,0,0]=3 1443 B6R1.7 NC1(CC1)CO MCULE-5890036745 [0,2,0,0,0,0|1,0,0]=3 1444 B6R1.7 NC1(CC1)CO MCULE-6476116416 [0,2,0,0,0,0|1,0,0]=3 1445 B6R1.7 NCC1(CC1)Br MCULE-7318489845 [0,2,0,0,0,0|1,0,0]=3 1446 B6R1.7 NCC1(CC1)F MCULE-6736176817 [0,2,0,0,0,0|1,0,0]=3 1447 B6R1.7 NCC1(CC1)F MCULE-7735967320 [0,2,0,0,0,0|1,0,0]=3 1448 B6R1.7 NCC1(CC1)N MCULE-4980820376 [0,2,0,0,0,0|1,0,0]=3 1449 B6R1.7 NCC1(CC1)N MCULE-7033999881 [0,2,0,0,0,0|1,0,0]=3 1450 B6R1.7 NCC1(CC1)O MCULE-7633241990 [0,2,0,0,0,0|1,0,0]=3 1451 B6R1.7 NCC1(CC1)O MCULE-8264909288 [0,2,0,0,0,0|1,0,0]=3 1452 B6R1.7 O=CC1(CC1)F MCULE-5455667660 [0,2,0,0,0,0|1,0,1]=4 1453 B6R1.7 OCC1(CC1)Br MCULE-2797548638 [0,2,0,0,0,0|1,0,0]=3 1454 B6R1.7 OCC1(CC1)Cl MCULE-4350532922 [0,2,0,0,0,0|1,0,0]=3 1455 B6R1.7 OCC1(CC1)F MCULE-9539268105 [0,2,0,0,0,0|1,0,0]=3 1456 B6R1.7 OCC1(CC1)O MCULE-7768871656 [0,2,0,0,0,0|1,0,0]=3 1457 B6R1.8 C=C1CC1CO MCULE-4338601055 [0,2,0,0,0,0|1,0,0]=3 1458 B6R1.8 CC1CC1C#N MCULE-4373618430 [0,2,0,0,0,0|1,0,0]=3 1459 B6R1.8 CC1CC1C=O MCULE-2600627355 [0,2,0,0,0,0|1,0,0]=3 1460 B6R1.8 CC1CC1CN MCULE-2810102174 [0,2,0,0,0,0|1,0,0]=3 1461 B6R1.8 CC1CC1CN MCULE-7518062300 [0,2,0,0,0,0|1,0,0]=3 1462 B6R1.8 CC1CC1CO MCULE-5196594569 [0,2,0,0,0,0|1,0,0]=3 1463 B6R1.8 CC1OC1CBr MCULE-3133107383 [0,2,0,0,0,0|0,0,0]=2 1464 B6R1.8 CC1OC1CO MCULE-1680425960 [0,2,0,0,0,0|0,0,0]=2 1465 B6R1.8 CCC1CC1N MCULE-6304873051 [0,2,0,0,0,0|1,0,0]=3 1466 B6R1.8 CC[C@@H]1C[C@@H]1N MCULE-9218626187 [0,2,0,0,0,0|1,0,0]=3 1467 B6R1.8 CC[C@@H]1C[C@H]1N MCULE-5365117215 [0,2,0,0,0,0|1,0,0]=3 1468 B6R1.8 CC[C@@H]1C[C@H]1N MCULE-9993971387 [0,2,0,0,0,0|1,0,0]=3 1469 B6R1.8 CC[C@H]1C[C@@H]1N MCULE-5971477946 [0,2,0,0,0,0|1,0,0]=3 1470 B6R1.8 CC[C@H]1C[C@H]1N MCULE-4387456908 [0,2,0,0,0,0|1,0,0]=3 1471 B6R1.8 COC1CC1N MCULE-6836691149 [0,2,0,0,0,0|1,0,0]=3 1472 B6R1.8 COC1CC1N MCULE-9062056960 [0,2,0,0,0,0|1,0,0]=3 1473 B6R1.8 CO[C@@H]1C[C@@H]1N MCULE-6456572695 [0,2,0,0,0,0|1,0,0]=3 1474 B6R1.8 CO[C@@H]1C[C@@H]1N MCULE-9755300484 [0,2,0,0,0,0|1,0,0]=3 1475 B6R1.8 CO[C@@H]1C[C@H]1N MCULE-3862342520 [0,2,0,0,0,0|1,0,0]=3 1476 B6R1.8 CO[C@@H]1C[C@H]1N MCULE-4120361377 [0,2,0,0,0,0|1,0,0]=3 1477 B6R1.8 CO[C@H]1C[C@@H]1N MCULE-6295001950 [0,2,0,0,0,0|1,0,0]=3 1478 B6R1.8 CO[C@H]1C[C@@H]1N MCULE-7524472312 [0,2,0,0,0,0|1,0,0]=3 1479 B6R1.8 CO[C@H]1C[C@H]1N MCULE-3000810470 [0,2,0,0,0,0|1,0,0]=3 1480 B6R1.8 CO[C@H]1C[C@H]1N MCULE-6255571706 [0,2,0,0,0,0|1,0,0]=3 1481 B6R1.8 C[C@@H]1C[C@@H]1CN MCULE-5971817939 [0,2,0,0,0,0|1,0,0]=3 1482 B6R1.8 C[C@@H]1C[C@@H]1CO MCULE-7143685612 [0,2,0,0,0,0|1,0,0]=3 1483 B6R1.8 C[C@@H]1C[C@H]1CN MCULE-3418148363 [0,2,0,0,0,0|1,0,0]=3 1484 B6R1.8 C[C@@H]1C[C@H]1CN MCULE-3519756910 [0,2,0,0,0,0|1,0,0]=3 1485 B6R1.8 C[C@@H]1C[C@H]1CN MCULE-3649923384 [0,2,0,0,0,0|1,0,0]=3 1486 B6R1.8 C[C@@H]1C[C@H]1CN MCULE-8330237030 [0,2,0,0,0,0|1,0,0]=3 1487 B6R1.8 C[C@@H]1C[C@H]1CO MCULE-3741611930 [0,2,0,0,0,0|1,0,0]=3 1488 B6R1.8 C[C@H]1C[C@@H]1CN MCULE-9856477951 [0,2,0,0,0,0|1,0,0]=3 1489 B6R1.8 C[C@H]1C[C@@H]1CO MCULE-2846304871 [0,2,0,0,0,0|1,0,0]=3 1490 B6R1.8 C[C@H]1C[C@@H]1CO MCULE-9275931471 [0,2,0,0,0,0|1,0,0]=3 1491 B6R1.8 C[C@H]1C[C@H]1CN MCULE-4949172422 [0,2,0,0,0,0|1,0,0]=3 1492 B6R1.8 C[C@H]1C[C@H]1CO MCULE-3828120088 [0,2,0,0,0,0|1,0,0]=3 1493 B6R1.8 C[C@H]1C[C@H]1CO MCULE-8442952820 [0,2,0,0,0,0|1,0,0]=3 1494 B6R1.8 N#CC1CC1N MCULE-2917743786 [0,2,0,0,0,0|1,0,1]=4 1495 B6R1.8 N#CC1CC1N MCULE-6566554188 [0,2,0,0,0,0|1,0,1]=4 1496 B6R1.8 N#C[C@@H]1C[C@@H]1F MCULE-1410853829 [0,2,0,0,0,0|1,0,1]=4 1497 B6R1.8 N#C[C@H]1C[C@@H]1F MCULE-4546872877 [0,2,0,0,0,0|1,0,1]=4 1498 B6R1.8 N#C[C@H]1C[C@@H]1F MCULE-5765890863 [0,2,0,0,0,0|1,0,1]=4 1499 B6R1.8 N#C[C@H]1C[C@H]1F MCULE-4724318472 [0,2,0,0,0,0|1,0,1]=4 1500 B6R1.8 NC1CC1CO MCULE-7666097515 [0,2,0,0,0,0|1,0,0]=3 1501 B6R1.8 NCC1CC1N MCULE-4864283129 [0,2,0,0,0,0|1,0,0]=3 1502 B6R1.8 NCC1CC1N MCULE-7029010792 [0,2,0,0,0,0|1,0,0]=3 1503 B6R1.8 O=CC1CC1Cl MCULE-5539872961 [0,2,0,0,0,0|1,0,1]=4 1504 B6R1.8 OCC1CC1Cl MCULE-1321755136 [0,2,0,0,0,0|1,0,0]=3 1505 B6R1.8 OCC1C[C@@H]1F MCULE-2637570432 [0,2,0,0,0,0|1,0,0]=3 1506 B6R1.8 OC[C@@H]1C[C@@H]1F MCULE-9090620006 [0,2,0,0,0,0|1,0,0]=3 1507 B6R1.8 OC[C@@H]1C[C@H]1Br MCULE-8344332753 [0,2,0,0,0,0|1,0,0]=3 1508 B6R1.8 OC[C@@H]1C[C@H]1F MCULE-6282037947 [0,2,0,0,0,0|1,0,0]=3 1509 B6R1.8 OC[C@@H]1C[C@H]1F MCULE-8944803823 [0,2,0,0,0,0|1,0,0]=3 1510 B6R1.8 OC[C@H]1C[C@@H]1F MCULE-3157094299 [0,2,0,0,0,0|1,0,0]=3 1511 B6R1.11 C=C(C)C1CO1 MCULE-3656533343 [0,2,0,0,0,0|0,0,0]=2 1512 B6R1.11 C=C(Cl)C1CO1 MCULE-5190310903 [0,2,0,0,0,0|0,0,1]=3 1513 B6R1.11 CC(=O)C1CC1 MCULE-3846146416 [0,2,0,0,0,0|1,0,0]=3 1514 B6R1.11 CC(=O)C1CO1 MCULE-4329154079 [0,2,0,0,0,0|0,0,0]=2 1515 B6R1.11 CC(C)C1CO1 MCULE-6294069717 [0,2,0,0,0,0|0,0,0]=2 1516 B6R1.11 CC(C)[C@@H]1CO1 MCULE-9181831987 [0,2,0,0,0,0|0,0,0]=2 1517 B6R1.11 CC(C)[C@H]1CO1 MCULE-1978831452 [0,2,0,0,0,0|0,0,0]=2 1518 B6R1.11 CC(Cl)C1CC1 MCULE-7361335709 [0,2,0,0,0,0|1,0,0]=3 1519 B6R1.11 CC(N)C1CC1 MCULE-2052303800 [0,2,0,0,0,0|1,0,0]=3 1520 B6R1.11 CC(N)C1CC1 MCULE-3007763115 [0,2,0,0,0,0|1,0,0]=3 1521 B6R1.11 CC(N)C1CC1 MCULE-3459276996 [0,2,0,0,0,0|1,0,0]=3 1522 B6R1.11 CC(N)C1CC1 MCULE-6761961556 [0,2,0,0,0,0|1,0,0]=3 1523 B6R1.11 CC(O)C1CC1 MCULE-8628810684 [0,2,0,0,0,0|1,0,0]=3 1524 B6R1.11 CC(O)C1CO1 MCULE-2044990126 [0,2,0,0,0,0|0,0,0]=2 1525 B6R1.11 CN(C)C1CC1 MCULE-5891640069 [0,2,0,0,0,0|1,0,0]=3 1526 B6R1.11 CN(C)C1CC1 MCULE-6751529979 [0,2,0,0,0,0|1,0,0]=3 1527 B6R1.11 CN(N)C1CC1 MCULE-4590166937 [0,2,0,0,0,0|1,0,0]=3 1528 B6R1.11 CN(N)C1CC1 MCULE-7317282450 [0,2,0,0,0,0|1,0,0]=3 1529 B6R1.11 C[C@@H](N)C1CC1 MCULE-2097889079 [0,2,0,0,0,0|1,0,0]=3 1530 B6R1.11 C[C@@H](N)C1CC1 MCULE-3667125695 [0,2,0,0,0,0|1,0,0]=3 1531 B6R1.11 C[C@@H](N)C1CC1 MCULE-4529741221 [0,2,0,0,0,0|1,0,0]=3 1532 B6R1.11 C[C@@H](N)C1CC1 MCULE-4996656085 [0,2,0,0,0,0|1,0,0]=3 1533 B6R1.11 C[C@@H](O)C1CC1 MCULE-8359847821 [0,2,0,0,0,0|1,0,0]=3 1534 B6R1.11 C[C@H](N)C1CC1 MCULE-5080052640 [0,2,0,0,0,0|1,0,0]=3 1535 B6R1.11 C[C@H](N)C1CC1 MCULE-8331040870 [0,2,0,0,0,0|1,0,0]=3 1536 B6R1.11 C[C@H](N)C1CC1 MCULE-8367240790 [0,2,0,0,0,0|1,0,0]=3 1537 B6R1.11 C[C@H](N)C1CC1 MCULE-8726268701 [0,2,0,0,0,0|1,0,0]=3 1538 B6R1.11 C[C@H](O)C1CC1 MCULE-2458075152 [0,2,0,0,0,0|1,0,0]=3 1539 B6R1.11 N=C(N)C1CC1 MCULE-1244673727 [0,2,0,0,0,0|1,0,1]=4 1540 B6R1.11 N=C(N)C1CC1 MCULE-2494860413 [0,2,0,0,0,0|1,0,1]=4 1541 B6R1.11 NC(=O)C1CC1 MCULE-9911054913 [0,2,0,0,0,0|1,0,1]=4 1542 B6R1.11 NC(=O)C1CO1 MCULE-6911744868 [0,2,0,0,0,0|0,0,1]=3 1543 B6R1.11 NC(=S)C1CC1 MCULE-7304936539 [0,2,0,0,0,0|1,0,1]=4 1544 B6R1.11 O=C(Cl)C1CC1 MCULE-8675746452 [0,2,0,0,0,0|1,0,1]=4 1545 B6R1.11 O=C(O)C1CC1 MCULE-4677373694 [0,2,0,0,0,0|1,0,1]=4 1546 B6R1.11 O=C(O)C1CN1 MCULE-3236125597 [0,2,0,0,0,0|1,0,1]=4 1547 B6R1.11 O=C(O)C1CO1 MCULE-2152916793 [0,2,0,0,0,0|0,0,1]=3 1548 B6R1.11 O=C(O)[C@@H]1CN1 MCULE-4363753412 [0,2,0,0,0,0|1,0,1]=4 1549 B6R1.11 O=C(O)[C@H]1CN1 MCULE-4830347195 [0,2,0,0,0,0|1,0,1]=4 1550 B6R1.11 O=C(O)[C@H]1CO1 MCULE-5204459723 [0,2,0,0,0,0|0,0,1]=3 1551 B6R1.11 O=C(O)[C@H]1CO1 MCULE-6983707093 [0,2,0,0,0,0|0,0,1]=3 1552 B6R1.11 O=C([O-])C1CN1 MCULE-6490437892 [0,2,0,0,0,0|1,0,1]=4 1553 B6R1.11 O=C([O-])C1CO1 MCULE-4586459966 [0,2,0,0,0,0|0,0,1]=3 1554 B6R1.11 O=C([O-])[C@@H]1CO1 MCULE-1647975669 [0,2,0,0,0,0|0,0,1]=3 1555 B6R1.11 O=C([O-])[C@@H]1CO1 MCULE-1906997950 [0,2,0,0,0,0|0,0,1]=3 1556 B6R1.11 O=C([O-])[C@@H]1CO1 MCULE-4899800766 [0,2,0,0,0,0|0,0,1]=3 1557 B6R1.11 O=C([O-])[C@@H]1CO1 MCULE-9148170094 [0,2,0,0,0,0|0,0,1]=3 1558 B6R1.11 O=C([O-])[C@H]1CO1 MCULE-6663734494 [0,2,0,0,0,0|0,0,1]=3 1559 B6R1.11 O=C([O-])[C@H]1CO1 MCULE-8580451361 [0,2,0,0,0,0|0,0,1]=3 1560 B6R1.11 O=S(O)C1CC1 MCULE-1616243918 [0,2,0,0,0,0|2,0,0]=4 1561 B6R1.11 O=S([O-])C1CC1 MCULE-9446364072 [0,2,0,0,0,0|2,0,0]=4 1562 B6R1.11 OB(O)C1CC1 MCULE-5364427631 [0,2,0,0,0,0|2,0,0]=4 1563 B6R1.9 CC1(CC1Br)C MCULE-4060390279 [0,2,0,0,0,0|1,0,0]=3 1564 B6R1.9 CC1(CC1Br)N MCULE-2545863228 [0,2,0,0,0,0|1,0,0]=3 1565 B6R1.9 CC1(CC1Br)N MCULE-6976008667 [0,2,0,0,0,0|1,0,0]=3 1566 B6R1.9 CC1(CC1N)C MCULE-3767513819 [0,2,0,0,0,0|1,0,0]=3 1567 B6R1.9 CC1(CC1N)C MCULE-9259559793 [0,2,0,0,0,0|1,0,0]=3 1568 B6R1.9 CC1(CC1O)C MCULE-2207251369 [0,2,0,0,0,0|1,0,0]=3 1569 B6R1.9 CC1(C[C@@H]1N)C MCULE-8232974349 [0,2,0,0,0,0|1,0,0]=3 1570 B6R1.9 CC1(C[C@@H]1N)C MCULE-9299327749 [0,2,0,0,0,0|1,0,0]=3 1571 B6R1.9 CC1(C[C@H]1N)C MCULE-2015844172 [0,2,0,0,0,0|1,0,0]=3 1572 B6R1.9 CC1(C[C@H]1N)C MCULE-8301129744 [0,2,0,0,0,0|1,0,0]=3 1573 B6R1.9 CC1CC1(C)N MCULE-2748884505 [0,2,0,0,0,0|1,0,0]=3 1574 B6R1.9 CC1CC1(C)N MCULE-6309103404 [0,2,0,0,0,0|1,0,0]=3 1575 B6R1.9 CC1OC1(C)C MCULE-6556425885 [0,2,0,0,0,0|0,0,0]=2 1576 B6R1.9 FC1(CC1Br)F MCULE-5007635902 [0,2,0,0,0,0|2,0,0]=4 1577 B6R1.9 NC1CC1(F)F MCULE-2003011750 [0,2,0,0,0,0|2,0,0]=4 1578 B6R1.9 NC1CC1(F)F MCULE-7089924421 [0,2,0,0,0,0|2,0,0]=4 1579 B6R1.9 NC1CC1(F)F MCULE-7356261907 [0,2,0,0,0,0|2,0,0]=4 1580 B6R1.9 NC1CC1(F)F MCULE-9011855744 [0,2,0,0,0,0|2,0,0]=4 1581 B6R1.9 N[C@@H]1CC1(F)F MCULE-1053742798 [0,2,0,0,0,0|2,0,0]=4 1582 B6R1.9 N[C@@H]1CC1(F)F MCULE-9077998884 [0,2,0,0,0,0|2,0,0]=4 1583 B6R1.9 N[C@H]1CC1(F)F MCULE-5518291494 [0,2,0,0,0,0|2,0,0]=4 1584 B6R1.9 N[C@H]1CC1(F)F MCULE-8293867852 [0,2,0,0,0,0|2,0,0]=4 1585 B6R1.9 OC1CC1(F)F MCULE-7582982777 [0,2,0,0,0,0|2,0,0]=4 1586 B4R1.1 C1CNC1 MCULE-2817120281 [0,0,1,1,0,0|1,0,0]=3 1587 B4R1.1 C1CNC1 MCULE-5348168818 [0,0,1,1,0,0|1,0,0]=3 1588 B4R1.1 C1COC1 MCULE-4105779148 [0,0,1,1,0,0|0,0,0]=2 1589 B4R1.1 C1CSC1 MCULE-2361125802 [0,0,1,1,0,0|0,1,0]=3 1590 B6R2.4 C1CC2C1O2 MCULE-9211083149 [0,0,0,1,0,1|2,0,0]=4 1591 B6R2.1 C1CC12CC2 MCULE-7180602672 [0,1,0,1,0,0|1,0,0]=3 1592 B6R1.2 BrC1=COCC1 MCULE-8057569313 [0,0,0,0,0,2|1,0,1]=4 1593 B6R1.2 BrC1CC=CC1 MCULE-8834603275 [0,0,0,0,0,2|2,0,0]=4 1594 B6R1.2 BrC1CCCC1 MCULE-9383923023 [0,0,0,0,0,2|2,0,0]=4 1595 B6R1.2 BrC1CCNC1 MCULE-4841543716 [0,0,0,0,0,2|2,0,0]=4 1596 B6R1.2 BrC1CCNC1 MCULE-4954951045 [0,0,0,0,0,2|2,0,0]=4 1597 B6R1.2 BrC1CCNC1 MCULE-7176123276 [0,0,0,0,0,2|2,0,0]=4 1598 B6R1.2 BrC1CCOC1 MCULE-7037144528 [0,0,0,0,0,2|1,0,0]=3 1599 B6R1.2 BrC1CCSC1 MCULE-6663716947 [0,0,0,0,0,2|1,1,0]=4 1600 B6R1.2 Br[C@@H]1CCNC1 MCULE-1681494552 [0,0,0,0,0,2|2,0,0]=4 1601 B6R1.2 Br[C@@H]1CCNC1 MCULE-1764777534 [0,0,0,0,0,2|2,0,0]=4 1602 B6R1.2 Br[C@@H]1CCNC1 MCULE-2455801012 [0,0,0,0,0,2|2,0,0]=4 1603 B6R1.2 Br[C@@H]1CCNC1 MCULE-8945784733 [0,0,0,0,0,2|2,0,0]=4 1604 B6R1.2 Br[C@H]1CCNC1 MCULE-5014033994 [0,0,0,0,0,2|2,0,0]=4 1605 B6R1.2 Br[C@H]1CCNC1 MCULE-5217617272 [0,0,0,0,0,2|2,0,0]=4 1606 B6R1.2 Br[C@H]1CCNC1 MCULE-8899453530 [0,0,0,0,0,2|2,0,0]=4 1607 B6R1.2 Br[C@H]1CCNC1 MCULE-9461718131 [0,0,0,0,0,2|2,0,0]=4 1608 B6R1.2 Br[C@H]1CCOC1 MCULE-7554969036 [0,0,0,0,0,2|1,0,0]=3 1609 B6R1.2 C1(CCNC1)C MCULE-2542646403 [0,0,0,0,0,2|1,0,0]=3 1610 B6R1.2 C1(CCNC1)C MCULE-4538835016 [0,0,0,0,0,2|1,0,0]=3 1611 B6R1.2 C1(CCNC1)F MCULE-2259566125 [0,0,0,0,0,2|2,0,0]=4 1612 B6R1.2 C1(CCNC1)F MCULE-3325393466 [0,0,0,0,0,2|2,0,0]=4 1613 B6R1.2 C1(CCNC1)O MCULE-2676539647 [0,0,0,0,0,2|2,0,0]=4 1614 B6R1.2 C1(CCNC1)O MCULE-4228466615 [0,0,0,0,0,2|2,0,0]=4 1615 B6R1.2 C1(CCOC1)I MCULE-4877322062 [0,0,0,0,0,2|1,0,0]=3 1616 B6R1.2 C1(CCOC1)N MCULE-2221007915 [0,0,0,0,0,2|1,0,0]=3 1617 B6R1.2 C1(CCOC1)N MCULE-3972931474 [0,0,0,0,0,2|1,0,0]=3 1618 B6R1.2 C1(CCOC1)O MCULE-3631749536 [0,0,0,0,0,2|1,0,0]=3 1619 B6R1.2 CC1=CC=CC1 MCULE-3765599626 [0,0,0,0,0,2|1,0,1]=4 1620 B6R1.2 CC1=CC=CO1 MCULE-3620289319 [0,0,0,0,0,2|0,0,2]=4 1621 B6R1.2 CC1=CC=NO1 MCULE-3188314923 [0,0,0,0,0,2|0,0,2]=4 1622 B6R1.2 CC1=CCCC1 MCULE-8508688474 [0,0,0,0,0,2|1,0,1]=4 1623 B6R1.2 CC1=CCCO1 MCULE-7276659214 [0,0,0,0,0,2|0,0,1]=3 1624 B6R1.2 CC1=CCNC1 MCULE-5892113847 [0,0,0,0,0,2|1,0,1]=4 1625 B6R1.2 CC1=CCNC1 MCULE-9225220351 [0,0,0,0,0,2|1,0,1]=4 1626 B6R1.2 CC1=CN=CO1 MCULE-4609626879 [0,0,0,0,0,2|0,0,2]=4 1627 B6R1.2 CC1=COC=C1 MCULE-1597223627 [0,0,0,0,0,2|0,0,2]=4 1628 B6R1.2 CC1=COC=N1 MCULE-3497089982 [0,0,0,0,0,2|0,0,2]=4 1629 B6R1.2 CC1=CON=C1 MCULE-4312100714 [0,0,0,0,0,2|0,0,2]=4 1630 B6R1.2 CC1=NC=CO1 MCULE-7894525701 [0,0,0,0,0,2|0,0,2]=4 1631 B6R1.2 CC1=NCCC1 MCULE-5009170423 [0,0,0,0,0,2|1,0,1]=4 1632 B6R1.2 CC1=NCCN1 MCULE-4787238872 [0,0,0,0,0,2|1,0,1]=4 1633 B6R1.2 CC1=NCCO1 MCULE-8564633040 [0,0,0,0,0,2|0,0,1]=3 1634 B6R1.2 CC1=NCCS1 MCULE-1701303405 [0,0,0,0,0,2|0,1,1]=4 1635 B6R1.2 CC1=NN=CO1 MCULE-5138394000 [0,0,0,0,0,2|0,0,2]=4 1636 B6R1.2 CC1=NNCC1 MCULE-1758510182 [0,0,0,0,0,2|1,0,1]=4 1637 B6R1.2 CC1=NOC=C1 MCULE-1572732397 [0,0,0,0,0,2|0,0,2]=4 1638 B6R1.2 CC1=NOC=N1 MCULE-5841548711 [0,0,0,0,0,2|0,0,2]=4 1639 B6R1.2 CC1=NON=C1 MCULE-7563934145 [0,0,0,0,0,2|0,0,2]=4 1640 B6R1.2 CC1C=CCC1 MCULE-1638534048 [0,0,0,0,0,2|1,0,0]=3 1641 B6R1.2 CC1CCCC1 MCULE-4702116068 [0,0,0,0,0,2|1,0,0]=3 1642 B6R1.2 CC1CCCN1 MCULE-4853624560 [0,0,0,0,0,2|1,0,0]=3 1643 B6R1.2 CC1CCCN1 MCULE-5939948024 [0,0,0,0,0,2|1,0,0]=3 1644 B6R1.2 CC1CCCN1 MCULE-6020011445 [0,0,0,0,0,2|1,0,0]=3 1645 B6R1.2 CC1CCCN1 MCULE-7855346849 [0,0,0,0,0,2|1,0,0]=3 1646 B6R1.2 CC1CCCO1 MCULE-2526138687 [0,0,0,0,0,2|0,0,0]=2 1647 B6R1.2 CC1CCCS1 MCULE-8372499972 [0,0,0,0,0,2|0,1,0]=3 1648 B6R1.2 CC1CCNC1 MCULE-6494098173 [0,0,0,0,0,2|1,0,0]=3 1649 B6R1.2 CC1CCNC1 MCULE-8260364514 [0,0,0,0,0,2|1,0,0]=3 1650 B6R1.2 CC1CCOC1 MCULE-6424683416 [0,0,0,0,0,2|0,0,0]=2 1651 B6R1.2 CC1CCSC1 MCULE-7445511318 [0,0,0,0,0,2|0,1,0]=3 1652 B6R1.2 CC1CNOC1 MCULE-1071803164 [0,0,0,0,0,2|0,0,0]=2 1653 B6R1.2 CC1CNOC1 MCULE-9455391174 [0,0,0,0,0,2|0,0,0]=2 1654 B6R1.2 CC1COCO1 MCULE-9332316279 [0,0,0,0,0,2|0,0,0]=2 1655 B6R1.2 CC1NCCS1 MCULE-8457840375 [0,0,0,0,0,2|0,1,0]=3 1656 B6R1.2 CC1OCCO1 MCULE-2943809591 [0,0,0,0,0,2|0,0,0]=2 1657 B6R1.2 CC1SCCS1 MCULE-5011453273 [0,0,0,0,0,2|0,1,0]=3 1658 B6R1.2 CN1CC=CC1 MCULE-2586884916 [0,0,0,0,0,2|2,0,0]=4 1659 B6R1.2 CN1CCCC1 MCULE-5387702231 [0,0,0,0,0,2|2,0,0]=4 1660 B6R1.2 CN1CCNC1 MCULE-8059197564 [0,0,0,0,0,2|2,0,0]=4 1661 B6R1.2 CN1CCNC1 MCULE-9818601515 [0,0,0,0,0,2|2,0,0]=4 1662 B6R1.2 CN1CCOC1 MCULE-5504672404 [0,0,0,0,0,2|1,0,0]=3 1663 B6R1.2 C[C@@H]1CCCN1 MCULE-1038329474 [0,0,0,0,0,2|1,0,0]=3 1664 B6R1.2 C[C@@H]1CCCN1 MCULE-1829999308 [0,0,0,0,0,2|1,0,0]=3 1665 B6R1.2 C[C@@H]1CCCN1 MCULE-8644278041 [0,0,0,0,0,2|1,0,0]=3 1666 B6R1.2 C[C@@H]1CCCN1 MCULE-9243990647 [0,0,0,0,0,2|1,0,0]=3 1667 B6R1.2 C[C@@H]1CCNC1 MCULE-5345577321 [0,0,0,0,0,2|1,0,0]=3 1668 B6R1.2 C[C@@H]1CCNC1 MCULE-5749945455 [0,0,0,0,0,2|1,0,0]=3 1669 B6R1.2 C[C@@H]1CCNC1 MCULE-8967606188 [0,0,0,0,0,2|1,0,0]=3 1670 B6R1.2 C[C@@H]1CCNC1 MCULE-8996756392 [0,0,0,0,0,2|1,0,0]=3 1671 B6R1.2 C[C@H]1CCCN1 MCULE-2078024663 [0,0,0,0,0,2|1,0,0]=3 1672 B6R1.2 C[C@H]1CCCN1 MCULE-3113877345 [0,0,0,0,0,2|1,0,0]=3 1673 B6R1.2 C[C@H]1CCCN1 MCULE-3426869473 [0,0,0,0,0,2|1,0,0]=3 1674 B6R1.2 C[C@H]1CCCN1 MCULE-5093266679 [0,0,0,0,0,2|1,0,0]=3 1675 B6R1.2 C[C@H]1CCNC1 MCULE-1866792897 [0,0,0,0,0,2|1,0,0]=3 1676 B6R1.2 C[C@H]1CCNC1 MCULE-3817248567 [0,0,0,0,0,2|1,0,0]=3 1677 B6R1.2 C[C@H]1CCNC1 MCULE-7938243226 [0,0,0,0,0,2|1,0,0]=3 1678 B6R1.2 C[C@H]1CCNC1 MCULE-8895875203 [0,0,0,0,0,2|1,0,0]=3 1679 B6R1.2 C[S+]1CCCC1 MCULE-6294888335 [0,0,0,0,0,2|2,0,0]=4 1680 B6R1.2 C[S+]1CCCC1 MCULE-8432227262 [0,0,0,0,0,2|2,0,0]=4 1681 B6R1.2 ClC1CCCC1 MCULE-3285928655 [0,0,0,0,0,2|2,0,0]=4 1682 B6R1.2 ClC1CCNC1 MCULE-5659561118 [0,0,0,0,0,2|2,0,0]=4 1683 B6R1.2 ClC1CCNC1 MCULE-6180477494 [0,0,0,0,0,2|2,0,0]=4 1684 B6R1.2 ClC1CCNC1 MCULE-6964859207 [0,0,0,0,0,2|2,0,0]=4 1685 B6R1.2 ClC1CCNC1 MCULE-8389509440 [0,0,0,0,0,2|2,0,0]=4 1686 B6R1.2 ClC1CCOC1 MCULE-6903762147 [0,0,0,0,0,2|1,0,0]=3 1687 B6R1.2 ClP1OCCO1 MCULE-2550894251 [0,0,0,0,0,2|2,0,0]=4 1688 B6R1.2 Cl[C@@H]1CCNC1 MCULE-3218152098 [0,0,0,0,0,2|2,0,0]=4 1689 B6R1.2 Cl[C@@H]1CCNC1 MCULE-6728755007 [0,0,0,0,0,2|2,0,0]=4 1690 B6R1.2 Cl[C@@H]1CCNC1 MCULE-7223308304 [0,0,0,0,0,2|2,0,0]=4 1691 B6R1.2 Cl[C@@H]1CCNC1 MCULE-9699335522 [0,0,0,0,0,2|2,0,0]=4 1692 B6R1.2 Cl[C@H]1CCNC1 MCULE-1696981588 [0,0,0,0,0,2|2,0,0]=4 1693 B6R1.2 Cl[C@H]1CCNC1 MCULE-4535592624 [0,0,0,0,0,2|2,0,0]=4 1694 B6R1.2 Cl[C@H]1CCNC1 MCULE-4850151938 [0,0,0,0,0,2|2,0,0]=4 1695 B6R1.2 Cl[C@H]1CCNC1 MCULE-8947782807 [0,0,0,0,0,2|2,0,0]=4 1696 B6R1.2 FC1CCCC1 MCULE-1416016970 [0,0,0,0,0,2|2,0,0]=4 1697 B6R1.2 FC1CCNC1 MCULE-3601135445 [0,0,0,0,0,2|2,0,0]=4 1698 B6R1.2 FC1CCNC1 MCULE-8578750940 [0,0,0,0,0,2|2,0,0]=4 1699 B6R1.2 FC1CNOC1 MCULE-4837734523 [0,0,0,0,0,2|1,0,0]=3 1700 B6R1.2 FC1CNOC1 MCULE-6176254900 [0,0,0,0,0,2|1,0,0]=3 1701 B6R1.2 F[C@@H]1CCNC1 MCULE-4408739710 [0,0,0,0,0,2|2,0,0]=4 1702 B6R1.2 F[C@@H]1CCNC1 MCULE-5678498844 [0,0,0,0,0,2|2,0,0]=4 1703 B6R1.2 F[C@@H]1CCNC1 MCULE-5679054116 [0,0,0,0,0,2|2,0,0]=4 1704 B6R1.2 F[C@@H]1CCNC1 MCULE-7029204180 [0,0,0,0,0,2|2,0,0]=4 1705 B6R1.2 F[C@H]1CCCN1 MCULE-8612757365 [0,0,0,0,0,2|2,0,0]=4 1706 B6R1.2 F[C@H]1CCNC1 MCULE-2854402872 [0,0,0,0,0,2|2,0,0]=4 1707 B6R1.2 F[C@H]1CCNC1 MCULE-4493640982 [0,0,0,0,0,2|2,0,0]=4 1708 B6R1.2 F[C@H]1CCNC1 MCULE-7441383471 [0,0,0,0,0,2|2,0,0]=4 1709 B6R1.2 F[C@H]1CCNC1 MCULE-7946601643 [0,0,0,0,0,2|2,0,0]=4 1710 B6R1.2 IC1=COCC1 MCULE-3076361502 [0,0,0,0,0,2|1,0,1]=4 1711 B6R1.2 IC1CCCC1 MCULE-2705379744 [0,0,0,0,0,2|2,0,0]=4 1712 B6R1.2 IC1CCNC1 MCULE-3058541551 [0,0,0,0,0,2|2,0,0]=4 1713 B6R1.2 IC1CCNC1 MCULE-5326267139 [0,0,0,0,0,2|2,0,0]=4 1714 B6R1.2 IC1CCOC1 MCULE-1379775972 [0,0,0,0,0,2|1,0,0]=3 1715 B6R1.2 I[C@@H]1CCNC1 MCULE-3800433724 [0,0,0,0,0,2|2,0,0]=4 1716 B6R1.2 I[C@@H]1CCNC1 MCULE-3857825133 [0,0,0,0,0,2|2,0,0]=4 1717 B6R1.2 I[C@@H]1CCNC1 MCULE-7781267462 [0,0,0,0,0,2|2,0,0]=4 1718 B6R1.2 I[C@@H]1CCNC1 MCULE-7979843810 [0,0,0,0,0,2|2,0,0]=4 1719 B6R1.2 I[C@@H]1CCOC1 MCULE-2036157502 [0,0,0,0,0,2|1,0,0]=3 1720 B6R1.2 I[C@@H]1CCOC1 MCULE-4800752659 [0,0,0,0,0,2|1,0,0]=3 1721 B6R1.2 I[C@H]1CCNC1 MCULE-1218289403 [0,0,0,0,0,2|2,0,0]=4 1722 B6R1.2 I[C@H]1CCNC1 MCULE-7469922084 [0,0,0,0,0,2|2,0,0]=4 1723 B6R1.2 I[C@H]1CCOC1 MCULE-4242860607 [0,0,0,0,0,2|1,0,0]=3 1724 B6R1.2 I[C@H]1CCOC1 MCULE-7095404975 [0,0,0,0,0,2|1,0,0]=3 1725 B6R1.2 NC1=NCCO1 MCULE-1257431295 [0,0,0,0,0,2|1,0,1]=4 1726 B6R1.2 NC1=NCCO1 MCULE-9912511107 [0,0,0,0,0,2|1,0,1]=4 1727 B6R1.2 NC1=NOCC1 MCULE-4971355735 [0,0,0,0,0,2|1,0,1]=4 1728 B6R1.2 NC1C=CCC1 MCULE-2537724380 [0,0,0,0,0,2|2,0,0]=4 1729 B6R1.2 NC1C=CCC1 MCULE-5017993489 [0,0,0,0,0,2|2,0,0]=4 1730 B6R1.2 NC1CC=CC1 MCULE-3815719332 [0,0,0,0,0,2|2,0,0]=4 1731 B6R1.2 NC1CC=CC1 MCULE-9984030144 [0,0,0,0,0,2|2,0,0]=4 1732 B6R1.2 NC1CCCC1 MCULE-2292038009 [0,0,0,0,0,2|2,0,0]=4 1733 B6R1.2 NC1CCNC1 MCULE-2237528072 [0,0,0,0,0,2|2,0,0]=4 1734 B6R1.2 NC1CCNC1 MCULE-5167920547 [0,0,0,0,0,2|2,0,0]=4 1735 B6R1.2 NC1CCNC1 MCULE-5837785719 [0,0,0,0,0,2|2,0,0]=4 1736 B6R1.2 NC1CCOC1 MCULE-1276945018 [0,0,0,0,0,2|1,0,0]=3 1737 B6R1.2 NC1CCOC1 MCULE-8146259495 [0,0,0,0,0,2|1,0,0]=3 1738 B6R1.2 NC1CCSC1 MCULE-8972229387 [0,0,0,0,0,2|1,1,0]=4 1739 B6R1.2 NC1CCSC1 MCULE-9186640582 [0,0,0,0,0,2|1,1,0]=4 1740 B6R1.2 NC1CSSC1 MCULE-4887591316 [0,0,0,0,0,2|1,1,0]=4 1741 B6R1.2 NC1CSSC1 MCULE-5524609325 [0,0,0,0,0,2|1,1,0]=4 1742 B6R1.2 NC1CSSC1 MCULE-9014844047 [0,0,0,0,0,2|1,1,0]=4 1743 B6R1.2 N[C@@H]1CCNC1 MCULE-6043697974 [0,0,0,0,0,2|2,0,0]=4 1744 B6R1.2 N[C@@H]1CCNC1 MCULE-8912264932 [0,0,0,0,0,2|2,0,0]=4 1745 B6R1.2 N[C@@H]1CCNC1 MCULE-9183647019 [0,0,0,0,0,2|2,0,0]=4 1746 B6R1.2 N[C@@H]1CCNC1 MCULE-9608760183 [0,0,0,0,0,2|2,0,0]=4 1747 B6R1.2 N[C@@H]1CCOC1 MCULE-1100136080 [0,0,0,0,0,2|1,0,0]=3 1748 B6R1.2 N[C@@H]1CCOC1 MCULE-4493278911 [0,0,0,0,0,2|1,0,0]=3 1749 B6R1.2 N[C@@H]1CCOC1 MCULE-5574536510 [0,0,0,0,0,2|1,0,0]=3 1750 B6R1.2 N[C@@H]1CCOC1 MCULE-7204677203 [0,0,0,0,0,2|1,0,0]=3 1751 B6R1.2 N[C@H]1CCNC1 MCULE-3573455998 [0,0,0,0,0,2|2,0,0]=4 1752 B6R1.2 N[C@H]1CCNC1 MCULE-3988158945 [0,0,0,0,0,2|2,0,0]=4 1753 B6R1.2 N[C@H]1CCNC1 MCULE-4526890579 [0,0,0,0,0,2|2,0,0]=4 1754 B6R1.2 N[C@H]1CCNC1 MCULE-8548728927 [0,0,0,0,0,2|2,0,0]=4 1755 B6R1.2 N[C@H]1CCOC1 MCULE-2273771439 [0,0,0,0,0,2|1,0,0]=3 1756 B6R1.2 N[C@H]1CCOC1 MCULE-3567904137 [0,0,0,0,0,2|1,0,0]=3 1757 B6R1.2 N[C@H]1CCOC1 MCULE-5268616156 [0,0,0,0,0,2|1,0,0]=3 1758 B6R1.2 N[C@H]1CCOC1 MCULE-7351975857 [0,0,0,0,0,2|1,0,0]=3 1759 B6R1.2 O=C1C=CCO1 MCULE-4296503663 [0,0,0,0,0,2|1,0,1]=4 1760 B6R1.2 O=C1CCCO1 MCULE-6795890265 [0,0,0,0,0,2|1,0,1]=4 1761 B6R1.2 O=C1CCOC1 MCULE-2031733910 [0,0,0,0,0,2|1,0,1]=4 1762 B6R1.2 O=C1CCON1 MCULE-6799359324 [0,0,0,0,0,2|1,0,1]=4 1763 B6R1.2 O=C1NCCO1 MCULE-3934923008 [0,0,0,0,0,2|1,0,1]=4 1764 B6R1.2 O=C1OCCO1 MCULE-9493253045 [0,0,0,0,0,2|1,0,1]=4 1765 B6R1.2 O=S1OCCO1 MCULE-5773173321 [0,0,0,0,0,2|2,0,0]=4 1766 B6R1.2 OC1C=CCC1 MCULE-3857764876 [0,0,0,0,0,2|2,0,0]=4 1767 B6R1.2 OC1C=CCO1 MCULE-4636930669 [0,0,0,0,0,2|1,0,0]=3 1768 B6R1.2 OC1CC=CC1 MCULE-6176562196 [0,0,0,0,0,2|2,0,0]=4 1769 B6R1.2 OC1CCCC1 MCULE-1758440264 [0,0,0,0,0,2|2,0,0]=4 1770 B6R1.2 OC1CCCN1 MCULE-4787168972 [0,0,0,0,0,2|2,0,0]=4 1771 B6R1.2 OC1CCCO1 MCULE-9632627344 [0,0,0,0,0,2|1,0,0]=3 1772 B6R1.2 OC1CCNC1 MCULE-4307402606 [0,0,0,0,0,2|2,0,0]=4 1773 B6R1.2 OC1CCNC1 MCULE-6745480350 [0,0,0,0,0,2|2,0,0]=4 1774 B6R1.2 OC1CCOC1 MCULE-4469581028 [0,0,0,0,0,2|1,0,0]=3 1775 B6R1.2 OC1CCSC1 MCULE-9796808599 [0,0,0,0,0,2|1,1,0]=4 1776 B6R1.2 OC1CNOC1 MCULE-3414700581 [0,0,0,0,0,2|1,0,0]=3 1777 B6R1.2 OC1CNOC1 MCULE-8163403090 [0,0,0,0,0,2|1,0,0]=3 1778 B6R1.2 OC1CNOC1 MCULE-8644852072 [0,0,0,0,0,2|1,0,0]=3 1779 B6R1.2 OC1C[NH2+]OC1 MCULE-7865131527 [0,0,0,0,0,2|1,0,0]=3 1780 B6R1.2 O[C@@H]1CCNC1 MCULE-8116497337 [0,0,0,0,0,2|2,0,0]=4 1781 B6R1.2 O[C@@H]1CCNC1 MCULE-8578068948 [0,0,0,0,0,2|2,0,0]=4 1782 B6R1.2 O[C@@H]1CCNC1 MCULE-9094582248 [0,0,0,0,0,2|2,0,0]=4 1783 B6R1.2 O[C@@H]1CCNC1 MCULE-9933593352 [0,0,0,0,0,2|2,0,0]=4 1784 B6R1.2 O[C@@H]1CCOC1 MCULE-7739141732 [0,0,0,0,0,2|1,0,0]=3 1785 B6R1.2 O[C@@H]1CCOC1 MCULE-8344812226 [0,0,0,0,0,2|1,0,0]=3 1786 B6R1.2 O[C@@H]1CCOC1 MCULE-9098074990 [0,0,0,0,0,2|1,0,0]=3 1787 B6R1.2 O[C@@H]1CCSC1 MCULE-3532754705 [0,0,0,0,0,2|1,1,0]=4 1788 B6R1.2 O[C@@H]1CCSC1 MCULE-5800407146 [0,0,0,0,0,2|1,1,0]=4 1789 B6R1.2 O[C@@H]1CNOC1 MCULE-1481945185 [0,0,0,0,0,2|1,0,0]=3 1790 B6R1.2 O[C@@H]1CNOC1 MCULE-4156521353 [0,0,0,0,0,2|1,0,0]=3 1791 B6R1.2 O[C@@H]1CNOC1 MCULE-5692816168 [0,0,0,0,0,2|1,0,0]=3 1792 B6R1.2 O[C@@H]1CNOC1 MCULE-6838604903 [0,0,0,0,0,2|1,0,0]=3 1793 B6R1.2 O[C@H]1CCNC1 MCULE-1100098088 [0,0,0,0,0,2|2,0,0]=4 1794 B6R1.2 O[C@H]1CCNC1 MCULE-3493644065 [0,0,0,0,0,2|2,0,0]=4 1795 B6R1.2 O[C@H]1CCNC1 MCULE-3778918259 [0,0,0,0,0,2|2,0,0]=4 1796 B6R1.2 O[C@H]1CCNC1 MCULE-4680162054 [0,0,0,0,0,2|2,0,0]=4 1797 B6R1.2 O[C@H]1CCOC1 MCULE-8518846297 [0,0,0,0,0,2|1,0,0]=3 1798 B6R1.2 O[C@H]1CCOC1 MCULE-9544747995 [0,0,0,0,0,2|1,0,0]=3 1799 B6R1.2 O[C@H]1CNOC1 MCULE-1746817114 [0,0,0,0,0,2|1,0,0]=3 1800 B6R1.2 O[C@H]1CNOC1 MCULE-4469396812 [0,0,0,0,0,2|1,0,0]=3 1801 B6R1.2 O[C@H]1CNOC1 MCULE-7167785164 [0,0,0,0,0,2|1,0,0]=3 1802 B6R1.2 O[C@H]1CNOC1 MCULE-8409877332 [0,0,0,0,0,2|1,0,0]=3 1803 B6R1.2 P1(=O)OCCO1 MCULE-3753821837 [0,0,0,0,0,2|2,0,0]=4 1804 B6R1.2 SC1=NCCO1 MCULE-6684545723 [0,0,0,0,0,2|1,0,1]=4 1805 B6R1.2 SC1CCCC1 MCULE-5932400506 [0,0,0,0,0,2|2,0,0]=4 1806 B6R1.2 SC1CCOC1 MCULE-9247906418 [0,0,0,0,0,2|1,0,0]=3 1807 B6R1.2 SC1CCSC1 MCULE-5955380477 [0,0,0,0,0,2|1,1,0]=4 1808 B6R1.2 [NH3+]C1CC[NH2+]C1 MCULE-3374468196 [0,0,0,0,0,2|2,0,0]=4