0 B3R0.1 Br/C=C/Br MCULE-6284547614 [0,0,0,0,0,0|2,0,2]=4 1 B3R0.1 BrC=CBr MCULE-4478409345 [0,0,0,0,0,0|2,0,2]=4 2 B3R0.1 BrCCBr MCULE-7586462642 [0,0,0,0,0,0|2,0,0]=2 3 B3R0.1 BrCCI MCULE-8691237057 [0,0,0,0,0,0|2,0,0]=2 4 B3R0.1 C#CC#N MCULE-7780918560 [0,0,0,0,0,0|1,0,3]=4 5 B3R0.1 C#CC=O MCULE-4187736819 [0,0,0,0,0,0|2,0,2]=4 6 B3R0.1 C#CCBr MCULE-7634822695 [0,0,0,0,0,0|2,0,1]=3 7 B3R0.1 C#CCC MCULE-8090253856 [0,0,0,0,0,0|2,0,1]=3 8 B3R0.1 C#CCCl MCULE-8379017189 [0,0,0,0,0,0|2,0,1]=3 9 B3R0.1 C#CCN MCULE-3201948975 [0,0,0,0,0,0|1,0,1]=2 10 B3R0.1 C#CCN MCULE-6286515491 [0,0,0,0,0,0|1,0,1]=2 11 B3R0.1 C#CCO MCULE-3909200923 [0,0,0,0,0,0|2,0,1]=3 12 B3R0.1 C/B=N/O MCULE-5227399299 [0,0,0,0,0,0|4,0,0]=4 13 B3R0.1 C/C=C/Br MCULE-4076369660 [0,0,0,0,0,0|2,0,2]=4 14 B3R0.1 C/C=N/O MCULE-2376410404 [0,0,0,0,0,0|3,0,1]=4 15 B3R0.1 C=CC#N MCULE-8176403366 [0,0,0,0,0,0|1,0,3]=4 16 B3R0.1 C=CC=C MCULE-4134157329 [0,0,0,0,0,0|2,0,2]=4 17 B3R0.1 C=CC=O MCULE-2104890669 [0,0,0,0,0,0|2,0,2]=4 18 B3R0.1 C=CCBr MCULE-9486454833 [0,0,0,0,0,0|2,0,1]=3 19 B3R0.1 C=CCC MCULE-8167907130 [0,0,0,0,0,0|2,0,1]=3 20 B3R0.1 C=CCCl MCULE-4067772785 [0,0,0,0,0,0|2,0,1]=3 21 B3R0.1 C=CCF MCULE-7783191980 [0,0,0,0,0,0|2,0,1]=3 22 B3R0.1 C=CCI MCULE-5037698873 [0,0,0,0,0,0|2,0,1]=3 23 B3R0.1 C=CCN MCULE-2424616806 [0,0,0,0,0,0|1,0,1]=2 24 B3R0.1 C=CCN MCULE-2473480946 [0,0,0,0,0,0|1,0,1]=2 25 B3R0.1 C=CCO MCULE-2145308838 [0,0,0,0,0,0|2,0,1]=3 26 B3R0.1 C=CCS MCULE-7270484838 [0,0,0,0,0,0|2,0,1]=3 27 B3R0.1 C=COC MCULE-4880746684 [0,0,0,0,0,0|3,0,1]=4 28 B3R0.1 CC#CC MCULE-3721942346 [0,0,0,0,0,0|2,0,2]=4 29 B3R0.1 CC#CI MCULE-4817406645 [0,0,0,0,0,0|2,0,2]=4 30 B3R0.1 CC=CBr MCULE-2098755460 [0,0,0,0,0,0|2,0,2]=4 31 B3R0.1 CC=CCl MCULE-9225887510 [0,0,0,0,0,0|2,0,2]=4 32 B3R0.1 CC=NO MCULE-9761317381 [0,0,0,0,0,0|3,0,1]=4 33 B3R0.1 CCC#N MCULE-9484970536 [0,0,0,0,0,0|1,0,2]=3 34 B3R0.1 CCC=O MCULE-4079744837 [0,0,0,0,0,0|2,0,1]=3 35 B3R0.1 CCCBr MCULE-2393970713 [0,0,0,0,0,0|2,0,0]=2 36 B3R0.1 CCCC MCULE-9760497805 [0,0,0,0,0,0|2,0,0]=2 37 B3R0.1 CCCCl MCULE-3496412829 [0,0,0,0,0,0|2,0,0]=2 38 B3R0.1 CCCF MCULE-8540338768 [0,0,0,0,0,0|2,0,0]=2 39 B3R0.1 CCCI MCULE-1721488805 [0,0,0,0,0,0|2,0,0]=2 40 B3R0.1 CCCN MCULE-2885523792 [0,0,0,0,0,0|1,0,0]=1 41 B3R0.1 CCCN MCULE-4318907091 [0,0,0,0,0,0|1,0,0]=1 42 B3R0.1 CCCN MCULE-6330457870 [0,0,0,0,0,0|1,0,0]=1 43 B3R0.1 CCCN MCULE-7146820007 [0,0,0,0,0,0|1,0,0]=1 44 B3R0.1 CCCO MCULE-6252105126 [0,0,0,0,0,0|2,0,0]=2 45 B3R0.1 CCCS MCULE-8267649092 [0,0,0,0,0,0|2,0,0]=2 46 B3R0.1 CCNC MCULE-7215376398 [0,0,0,0,0,0|3,0,0]=3 47 B3R0.1 CCNC MCULE-9811899205 [0,0,0,0,0,0|3,0,0]=3 48 B3R0.1 CCNN MCULE-4753127904 [0,0,0,0,0,0|2,0,0]=2 49 B3R0.1 CCNN MCULE-7630363192 [0,0,0,0,0,0|2,0,0]=2 50 B3R0.1 CCNN MCULE-8402230944 [0,0,0,0,0,0|2,0,0]=2 51 B3R0.1 CCNO MCULE-1215586669 [0,0,0,0,0,0|3,0,0]=3 52 B3R0.1 CCNO MCULE-7075818857 [0,0,0,0,0,0|3,0,0]=3 53 B3R0.1 CCON MCULE-5316082054 [0,0,0,0,0,0|2,0,0]=2 54 B3R0.1 CCON MCULE-6621418839 [0,0,0,0,0,0|2,0,0]=2 55 B3R0.1 CCO[NH3+] MCULE-7670481464 [0,0,0,0,0,0|2,0,1]=3 56 B3R0.1 CCO[NH3+] MCULE-7871083232 [0,0,0,0,0,0|2,0,1]=3 57 B3R0.1 CCSC MCULE-6944750263 [0,0,0,0,0,0|3,0,0]=3 58 B3R0.1 CN=C=O MCULE-7764606582 [0,0,0,0,0,0|3,0,1]=4 59 B3R0.1 CN=C=S MCULE-6174235995 [0,0,0,0,0,0|3,0,1]=4 60 B3R0.1 CNC#N MCULE-9135475289 [0,0,0,0,0,0|2,0,2]=4 61 B3R0.1 CNC=O MCULE-4739122677 [0,0,0,0,0,0|3,0,1]=4 62 B3R0.1 CNC=S MCULE-1018523469 [0,0,0,0,0,0|3,0,1]=4 63 B3R0.1 CNNC MCULE-5932476941 [0,0,0,0,0,0|4,0,0]=4 64 B3R0.1 CNNC MCULE-6419598860 [0,0,0,0,0,0|4,0,0]=4 65 B3R0.1 CNOC MCULE-1706082503 [0,0,0,0,0,0|4,0,0]=4 66 B3R0.1 CNOC MCULE-6224540090 [0,0,0,0,0,0|4,0,0]=4 67 B3R0.1 COC=O MCULE-9122749354 [0,0,0,0,0,0|3,0,1]=4 68 B3R0.1 COCBr MCULE-2566721472 [0,0,0,0,0,0|3,0,0]=3 69 B3R0.1 COCCl MCULE-5928768006 [0,0,0,0,0,0|3,0,0]=3 70 B3R0.1 COCI MCULE-5215132549 [0,0,0,0,0,0|3,0,0]=3 71 B3R0.1 CSC#N MCULE-3677411130 [0,0,0,0,0,0|2,0,2]=4 72 B3R0.1 CSCCl MCULE-1281800596 [0,0,0,0,0,0|3,0,0]=3 73 B3R0.1 CSSC MCULE-7451882535 [0,0,0,0,0,0|4,0,0]=4 74 B3R0.1 C[Se][Se]C MCULE-1189700302 [0,0,0,0,0,0|4,0,0]=4 75 B3R0.1 Cl/C=C/Cl MCULE-8326307647 [0,0,0,0,0,0|2,0,2]=4 76 B3R0.1 Cl/C=C\Cl MCULE-8638364223 [0,0,0,0,0,0|2,0,2]=4 77 B3R0.1 ClC=CCl MCULE-1709740532 [0,0,0,0,0,0|2,0,2]=4 78 B3R0.1 ClCCBr MCULE-3933774075 [0,0,0,0,0,0|2,0,0]=2 79 B3R0.1 ClCCCl MCULE-3493741440 [0,0,0,0,0,0|2,0,0]=2 80 B3R0.1 ClCCI MCULE-7847880962 [0,0,0,0,0,0|2,0,0]=2 81 B3R0.1 ClSSCl MCULE-7150341548 [0,0,0,0,0,0|4,0,0]=4 82 B3R0.1 Cl[Se][Se]Cl MCULE-4809287883 [0,0,0,0,0,0|4,0,0]=4 83 B3R0.1 F/C=C/Cl MCULE-6748930384 [0,0,0,0,0,0|2,0,2]=4 84 B3R0.1 FC=CBr MCULE-3730796032 [0,0,0,0,0,0|2,0,2]=4 85 B3R0.1 FC=CCl MCULE-8668714110 [0,0,0,0,0,0|2,0,2]=4 86 B3R0.1 FC=CF MCULE-1668825245 [0,0,0,0,0,0|2,0,2]=4 87 B3R0.1 FCCBr MCULE-3117974140 [0,0,0,0,0,0|2,0,0]=2 88 B3R0.1 FCCCl MCULE-1862981403 [0,0,0,0,0,0|2,0,0]=2 89 B3R0.1 FCCF MCULE-1975194621 [0,0,0,0,0,0|2,0,0]=2 90 B3R0.1 FCCI MCULE-3689313503 [0,0,0,0,0,0|2,0,0]=2 91 B3R0.1 ICCI MCULE-8025471988 [0,0,0,0,0,0|2,0,0]=2 92 B3R0.1 N#CCBr MCULE-3684255203 [0,0,0,0,0,0|1,0,2]=3 93 B3R0.1 N#CCCl MCULE-5316147295 [0,0,0,0,0,0|1,0,2]=3 94 B3R0.1 N#CCF MCULE-7784616816 [0,0,0,0,0,0|1,0,2]=3 95 B3R0.1 N#CCI MCULE-4005602243 [0,0,0,0,0,0|1,0,2]=3 96 B3R0.1 N#CCN MCULE-6677928349 [0,0,0,0,0,0|0,0,2]=2 97 B3R0.1 N#CCN MCULE-6699419972 [0,0,0,0,0,0|0,0,2]=2 98 B3R0.1 N/C=N/O MCULE-9567664507 [0,0,0,0,0,0|2,0,1]=3 99 B3R0.1 NCCBr MCULE-3401124597 [0,0,0,0,0,0|1,0,0]=1 100 B3R0.1 NCCBr MCULE-6215378497 [0,0,0,0,0,0|1,0,0]=1 101 B3R0.1 NCCCl MCULE-1458699843 [0,0,0,0,0,0|1,0,0]=1 102 B3R0.1 NCCCl MCULE-6944306112 [0,0,0,0,0,0|1,0,0]=1 103 B3R0.1 NCCF MCULE-1670520169 [0,0,0,0,0,0|1,0,0]=1 104 B3R0.1 NCCF MCULE-4963351029 [0,0,0,0,0,0|1,0,0]=1 105 B3R0.1 NCCI MCULE-6905308399 [0,0,0,0,0,0|1,0,0]=1 106 B3R0.1 NCCI MCULE-7487764362 [0,0,0,0,0,0|1,0,0]=1 107 B3R0.1 NCCN MCULE-4740333723 [0,0,0,0,0,0|0,0,0]=0 108 B3R0.1 NCCN MCULE-6795272853 [0,0,0,0,0,0|0,0,0]=0 109 B3R0.1 NCCN MCULE-8304126024 [0,0,0,0,0,0|0,0,0]=0 110 B3R0.1 NCCN MCULE-8325612144 [0,0,0,0,0,0|0,0,0]=0 111 B3R0.1 NCCO MCULE-5175116598 [0,0,0,0,0,0|1,0,0]=1 112 B3R0.1 NCCO MCULE-8624730373 [0,0,0,0,0,0|1,0,0]=1 113 B3R0.1 NCCS MCULE-1838427828 [0,0,0,0,0,0|1,0,0]=1 114 B3R0.1 NCCS MCULE-2418938683 [0,0,0,0,0,0|1,0,0]=1 115 B3R0.1 NNC=O MCULE-6986968107 [0,0,0,0,0,0|2,0,1]=3 116 B3R0.1 NOC=O MCULE-4489199776 [0,0,0,0,0,0|2,0,1]=3 117 B3R0.1 O=CC=O MCULE-3212938778 [0,0,0,0,0,0|2,0,2]=4 118 B3R0.1 O=CCBr MCULE-9076011270 [0,0,0,0,0,0|2,0,1]=3 119 B3R0.1 O=CCCl MCULE-7307216184 [0,0,0,0,0,0|2,0,1]=3 120 B3R0.1 O=CCI MCULE-1146810366 [0,0,0,0,0,0|2,0,1]=3 121 B3R0.1 OCCBr MCULE-5097256006 [0,0,0,0,0,0|2,0,0]=2 122 B3R0.1 OCCCl MCULE-5139580173 [0,0,0,0,0,0|2,0,0]=2 123 B3R0.1 OCCF MCULE-7590677201 [0,0,0,0,0,0|2,0,0]=2 124 B3R0.1 OCCI MCULE-8359750387 [0,0,0,0,0,0|2,0,0]=2 125 B3R0.1 OCCO MCULE-6366313128 [0,0,0,0,0,0|2,0,0]=2 126 B3R0.1 OCCS MCULE-2252943288 [0,0,0,0,0,0|2,0,0]=2 127 B3R0.1 PCCP MCULE-2159678577 [0,0,0,0,0,0|0,2,0]=2 128 B3R0.1 SCCBr MCULE-5899941299 [0,0,0,0,0,0|2,0,0]=2 129 B3R0.1 SCCS MCULE-8277435664 [0,0,0,0,0,0|2,0,0]=2 130 B3R0.1 [NH3+]CCS MCULE-6407472407 [0,0,0,0,0,0|1,0,1]=2 131 B3R0.1 [NH3+]CC[NH3+] MCULE-5313549416 [0,0,0,0,0,0|0,0,2]=2 132 B2R0.1 BrCBr MCULE-5148445055 [1,0,0,0,0,0|2,0,0]=3 133 B2R0.1 BrCI MCULE-5427209261 [1,0,0,0,0,0|2,0,0]=3 134 B2R0.1 C#CC MCULE-8346460782 [1,0,0,0,0,0|1,0,1]=3 135 B2R0.1 C=C=C MCULE-2040872097 [1,0,0,0,0,0|1,0,2]=4 136 B2R0.1 C=CBr MCULE-1481946455 [1,0,0,0,0,0|1,0,2]=4 137 B2R0.1 C=CC MCULE-5223715076 [1,0,0,0,0,0|1,0,1]=3 138 B2R0.1 C=CCl MCULE-9678046268 [1,0,0,0,0,0|1,0,2]=4 139 B2R0.1 C=CI MCULE-2939062322 [1,0,0,0,0,0|1,0,2]=4 140 B2R0.1 C=CO MCULE-8167566239 [1,0,0,0,0,0|1,0,2]=4 141 B2R0.1 C=NN MCULE-4427606079 [1,0,0,0,0,0|1,0,1]=3 142 B2R0.1 C=NO MCULE-1312312591 [1,0,0,0,0,0|2,0,1]=4 143 B2R0.1 C=NO MCULE-7599902650 [1,0,0,0,0,0|2,0,1]=4 144 B2R0.1 CC#N MCULE-8803543318 [1,0,0,0,0,0|0,0,2]=3 145 B2R0.1 CC=O MCULE-6002254510 [1,0,0,0,0,0|1,0,1]=3 146 B2R0.1 CC=O MCULE-6800925955 [1,0,0,0,0,0|1,0,1]=3 147 B2R0.1 CCBr MCULE-9840669634 [1,0,0,0,0,0|1,0,0]=2 148 B2R0.1 CCC MCULE-7179517367 [1,0,0,0,0,0|1,0,0]=2 149 B2R0.1 CCCl MCULE-8087909182 [1,0,0,0,0,0|1,0,0]=2 150 B2R0.1 CCI MCULE-9405436513 [1,0,0,0,0,0|1,0,0]=2 151 B2R0.1 CCN MCULE-1774065508 [1,0,0,0,0,0|0,0,0]=1 152 B2R0.1 CCN MCULE-5999638632 [1,0,0,0,0,0|0,0,0]=1 153 B2R0.1 CCN MCULE-6233823811 [1,0,0,0,0,0|0,0,0]=1 154 B2R0.1 CCN MCULE-6444557204 [1,0,0,0,0,0|0,0,0]=1 155 B2R0.1 CCO MCULE-8818474596 [1,0,0,0,0,0|1,0,0]=2 156 B2R0.1 CCS MCULE-5717309901 [1,0,0,0,0,0|1,0,0]=2 157 B2R0.1 CNC MCULE-2809467532 [1,0,0,0,0,0|2,0,0]=3 158 B2R0.1 CNN MCULE-6163742401 [1,0,0,0,0,0|1,0,0]=2 159 B2R0.1 CNN MCULE-7217348217 [1,0,0,0,0,0|1,0,0]=2 160 B2R0.1 CNN MCULE-9086529736 [1,0,0,0,0,0|1,0,0]=2 161 B2R0.1 CNO MCULE-5310203084 [1,0,0,0,0,0|2,0,0]=3 162 B2R0.1 CNO MCULE-7072005453 [1,0,0,0,0,0|2,0,0]=3 163 B2R0.1 COC MCULE-4385003255 [1,0,0,0,0,0|2,0,0]=3 164 B2R0.1 CON MCULE-1068458971 [1,0,0,0,0,0|1,0,0]=2 165 B2R0.1 CON MCULE-8687558307 [1,0,0,0,0,0|1,0,0]=2 166 B2R0.1 CO[NH3+] MCULE-6631452734 [1,0,0,0,0,0|1,0,1]=3 167 B2R0.1 CO[NH3+] MCULE-9975010969 [1,0,0,0,0,0|1,0,1]=3 168 B2R0.1 CSC MCULE-4525381422 [1,0,0,0,0,0|2,0,0]=3 169 B2R0.1 C[Se]C MCULE-5369504805 [1,0,0,0,0,0|2,0,0]=3 170 B2R0.1 ClCBr MCULE-5030719866 [1,0,0,0,0,0|2,0,0]=3 171 B2R0.1 ClCCl MCULE-1114735075 [1,0,0,0,0,0|2,0,0]=3 172 B2R0.1 ClCI MCULE-1762372626 [1,0,0,0,0,0|2,0,0]=3 173 B2R0.1 FCF MCULE-9775386185 [1,0,0,0,0,0|2,0,0]=3 174 B2R0.1 FCI MCULE-4283244074 [1,0,0,0,0,0|2,0,0]=3 175 B2R0.1 ICI MCULE-8023612181 [1,0,0,0,0,0|2,0,0]=3 176 B2R0.1 N#CBr MCULE-3513077125 [1,0,0,0,0,0|1,0,2]=4 177 B2R0.1 N#CCl MCULE-4403226252 [1,0,0,0,0,0|1,0,2]=4 178 B2R0.1 N#CN MCULE-9026610515 [1,0,0,0,0,0|0,0,2]=3 179 B2R0.1 N#CO MCULE-7459250889 [1,0,0,0,0,0|1,0,2]=4 180 B2R0.1 N#CS MCULE-2320088521 [1,0,0,0,0,0|1,0,2]=4 181 B2R0.1 N#CS MCULE-9925206507 [1,0,0,0,0,0|1,0,2]=4 182 B2R0.1 N#C[Ag] MCULE-5002634734 [1,0,0,0,0,0|1,0,2]=4 183 B2R0.1 N#C[Cu] MCULE-1927475603 [1,0,0,0,0,0|1,0,2]=4 184 B2R0.1 N#C[K] MCULE-3386691242 [1,0,0,0,0,0|1,0,2]=4 185 B2R0.1 N#C[Na] MCULE-8224219580 [1,0,0,0,0,0|1,0,2]=4 186 B2R0.1 N#C[O-] MCULE-3410618080 [1,0,0,0,0,0|1,0,2]=4 187 B2R0.1 N#C[S-] MCULE-1340634414 [1,0,0,0,0,0|1,0,2]=4 188 B2R0.1 N#N=[N-] MCULE-1504891905 [1,0,0,0,0,0|1,0,2]=4 189 B2R0.1 N=C=O MCULE-6805056266 [1,0,0,0,0,0|1,0,2]=4 190 B2R0.1 N=CN MCULE-3312866825 [1,0,0,0,0,0|0,0,2]=3 191 B2R0.1 N=CN MCULE-4184922761 [1,0,0,0,0,0|0,0,2]=3 192 B2R0.1 N=CN MCULE-8637660949 [1,0,0,0,0,0|0,0,2]=3 193 B2R0.1 NC=O MCULE-1633954643 [1,0,0,0,0,0|1,0,1]=3 194 B2R0.1 NC=O MCULE-4202420620 [1,0,0,0,0,0|1,0,1]=3 195 B2R0.1 NC=S MCULE-9004645073 [1,0,0,0,0,0|1,0,1]=3 196 B2R0.1 NC=[NH2+] MCULE-1491590547 [1,0,0,0,0,0|0,0,2]=3 197 B2R0.1 NCN MCULE-1911584441 [1,0,0,0,0,0|0,0,0]=1 198 B2R0.1 NCN MCULE-5032116024 [1,0,0,0,0,0|0,0,0]=1 199 B2R0.1 O=BO MCULE-1752281859 [1,0,0,0,0,0|3,0,0]=4 200 B2R0.1 O=CO MCULE-7175589186 [1,0,0,0,0,0|2,0,1]=4 201 B2R0.1 O=C[O-] MCULE-2970986504 [1,0,0,0,0,0|2,0,1]=4 202 B2R0.1 O=C[O-] MCULE-3867870864 [1,0,0,0,0,0|2,0,1]=4 203 B2R0.1 O=C[O-] MCULE-4029930501 [1,0,0,0,0,0|2,0,1]=4 204 B2R0.1 O=NO MCULE-6927518919 [1,0,0,0,0,0|3,0,0]=4 205 B2R0.1 O=N[O-] MCULE-3257981536 [1,0,0,0,0,0|3,0,0]=4 206 B2R0.1 O=N[O-] MCULE-7337131268 [1,0,0,0,0,0|3,0,0]=4 207 B2R0.1 O=PO MCULE-5287418544 [1,0,0,0,0,0|3,0,0]=4 208 B2R0.1 O=P[O-] MCULE-3840413517 [1,0,0,0,0,0|3,0,0]=4 209 B2R0.1 O=P[O-] MCULE-8243944513 [1,0,0,0,0,0|3,0,0]=4 210 B2R0.1 O=S=O MCULE-5418662043 [1,0,0,0,0,0|3,0,0]=4 211 B2R0.1 O=[Ge]=O MCULE-2024233522 [1,0,0,0,0,0|2,1,0]=4 212 B2R0.1 O=[N+]=O MCULE-8164521024 [1,0,0,0,0,0|3,0,0]=4 213 B2R0.1 O=[Se]=O MCULE-7119785212 [1,0,0,0,0,0|3,0,0]=4 214 B2R0.1 O=[Si]=O MCULE-2341844083 [1,0,0,0,0,0|2,1,0]=4 215 B2R0.1 O=[Te]=O MCULE-4837785402 [1,0,0,0,0,0|3,0,0]=4 216 B2R0.1 OBO MCULE-8455181481 [1,0,0,0,0,0|3,0,0]=4 217 B2R0.1 OPO MCULE-1346196691 [1,0,0,0,0,0|3,0,0]=4 218 B2R0.1 OPO MCULE-5673098193 [1,0,0,0,0,0|3,0,0]=4 219 B2R0.1 S=C=S MCULE-8806338867 [1,0,0,0,0,0|2,0,1]=4 220 B2R0.1 S=[Ge]=S MCULE-5333336219 [1,0,0,0,0,0|2,1,0]=4 221 B2R0.1 S=[Se]=S MCULE-6773401157 [1,0,0,0,0,0|3,0,0]=4 222 B2R0.1 S=[Si]=S MCULE-6039044614 [1,0,0,0,0,0|2,1,0]=4 223 B2R0.1 [BH3-]C#N MCULE-1837794750 [1,0,0,0,0,0|1,0,2]=4 224 B2R0.1 [BH3-]C#N MCULE-4224216892 [1,0,0,0,0,0|1,0,2]=4 225 B2R0.1 [O-]PO MCULE-2811495269 [1,0,0,0,0,0|3,0,0]=4 226 B2R0.1 [O-]PO MCULE-6918966731 [1,0,0,0,0,0|3,0,0]=4 227 B2R0.1 [Se]=[Ge]=[Se] MCULE-1049519526 [1,0,0,0,0,0|2,1,0]=4 228 B4R0.1 BrCC(Br)Br MCULE-1904439252 [0,1,0,0,0,0|2,0,0]=3 229 B4R0.1 C#CC(=O)N MCULE-1832868146 [0,1,0,0,0,0|1,0,2]=4 230 B4R0.1 C#CC(C)Br MCULE-6701225038 [0,1,0,0,0,0|2,0,1]=4 231 B4R0.1 C#CC(C)C MCULE-4600802925 [0,1,0,0,0,0|2,0,1]=4 232 B4R0.1 C#CC(C)Cl MCULE-2069451312 [0,1,0,0,0,0|2,0,1]=4 233 B4R0.1 C#CC(C)N MCULE-5174459541 [0,1,0,0,0,0|1,0,1]=3 234 B4R0.1 C#CC(C)N MCULE-7552261137 [0,1,0,0,0,0|1,0,1]=3 235 B4R0.1 C#CC(C)N MCULE-8458008104 [0,1,0,0,0,0|1,0,1]=3 236 B4R0.1 C#CC(C)N MCULE-8872781976 [0,1,0,0,0,0|1,0,1]=3 237 B4R0.1 C#CC(C)O MCULE-6692690957 [0,1,0,0,0,0|2,0,1]=4 238 B4R0.1 C#CC(C)O MCULE-8115962170 [0,1,0,0,0,0|2,0,1]=4 239 B4R0.1 C#C[C@@H](C)N MCULE-1688945745 [0,1,0,0,0,0|1,0,1]=3 240 B4R0.1 C#C[C@@H](C)N MCULE-2648127023 [0,1,0,0,0,0|1,0,1]=3 241 B4R0.1 C#C[C@@H](C)N MCULE-4450167680 [0,1,0,0,0,0|1,0,1]=3 242 B4R0.1 C#C[C@@H](C)N MCULE-5940189329 [0,1,0,0,0,0|1,0,1]=3 243 B4R0.1 C#C[C@@H](C)O MCULE-3014030718 [0,1,0,0,0,0|2,0,1]=4 244 B4R0.1 C#C[C@@H](C)O MCULE-5925379513 [0,1,0,0,0,0|2,0,1]=4 245 B4R0.1 C#C[C@H](C)N MCULE-1256303297 [0,1,0,0,0,0|1,0,1]=3 246 B4R0.1 C#C[C@H](C)N MCULE-4223264163 [0,1,0,0,0,0|1,0,1]=3 247 B4R0.1 C#C[C@H](C)N MCULE-9450573338 [0,1,0,0,0,0|1,0,1]=3 248 B4R0.1 C#C[C@H](C)N MCULE-9795039145 [0,1,0,0,0,0|1,0,1]=3 249 B4R0.1 C#C[C@H](C)O MCULE-3264536845 [0,1,0,0,0,0|2,0,1]=4 250 B4R0.1 C(C)(N)CN MCULE-5877041140 [0,1,0,0,0,0|0,0,0]=1 251 B4R0.1 C(C)(N)CO MCULE-5844242932 [0,1,0,0,0,0|1,0,0]=2 252 B4R0.1 C/C(=N/O)/N MCULE-5595239824 [0,1,0,0,0,0|2,0,1]=4 253 B4R0.1 C/C(=N\O)/N MCULE-8004142092 [0,1,0,0,0,0|2,0,1]=4 254 B4R0.1 C=C(Br)CBr MCULE-1222617820 [0,1,0,0,0,0|2,0,1]=4 255 B4R0.1 C=C(Br)CC MCULE-6271946451 [0,1,0,0,0,0|2,0,1]=4 256 B4R0.1 C=C(Br)CN MCULE-1170417597 [0,1,0,0,0,0|1,0,1]=3 257 B4R0.1 C=C(Br)CN MCULE-9190049156 [0,1,0,0,0,0|1,0,1]=3 258 B4R0.1 C=C(Br)CO MCULE-7763893047 [0,1,0,0,0,0|2,0,1]=4 259 B4R0.1 C=C(C)CBr MCULE-1361893863 [0,1,0,0,0,0|2,0,1]=4 260 B4R0.1 C=C(C)CCl MCULE-5586406339 [0,1,0,0,0,0|2,0,1]=4 261 B4R0.1 C=C(C)CI MCULE-3678124406 [0,1,0,0,0,0|2,0,1]=4 262 B4R0.1 C=C(C)CN MCULE-1033495975 [0,1,0,0,0,0|1,0,1]=3 263 B4R0.1 C=C(C)CN MCULE-8730181300 [0,1,0,0,0,0|1,0,1]=3 264 B4R0.1 C=C(C)CO MCULE-8641288398 [0,1,0,0,0,0|2,0,1]=4 265 B4R0.1 C=C(C)CS MCULE-5174170431 [0,1,0,0,0,0|2,0,1]=4 266 B4R0.1 C=C(Cl)CBr MCULE-9398157024 [0,1,0,0,0,0|2,0,1]=4 267 B4R0.1 C=C(Cl)CCl MCULE-4210429118 [0,1,0,0,0,0|2,0,1]=4 268 B4R0.1 C=C(Cl)CI MCULE-1908004565 [0,1,0,0,0,0|2,0,1]=4 269 B4R0.1 C=C(Cl)CN MCULE-2159410121 [0,1,0,0,0,0|1,0,1]=3 270 B4R0.1 C=C(Cl)CN MCULE-3454023553 [0,1,0,0,0,0|1,0,1]=3 271 B4R0.1 C=C(Cl)CO MCULE-8813337564 [0,1,0,0,0,0|2,0,1]=4 272 B4R0.1 C=C(F)CBr MCULE-6528430141 [0,1,0,0,0,0|2,0,1]=4 273 B4R0.1 C=C(F)CCl MCULE-4499400030 [0,1,0,0,0,0|2,0,1]=4 274 B4R0.1 C=C(F)CN MCULE-1603171858 [0,1,0,0,0,0|1,0,1]=3 275 B4R0.1 C=C(F)CN MCULE-3878727292 [0,1,0,0,0,0|1,0,1]=3 276 B4R0.1 C=C(F)CO MCULE-2779963696 [0,1,0,0,0,0|2,0,1]=4 277 B4R0.1 C=C(I)CO MCULE-2533897125 [0,1,0,0,0,0|2,0,1]=4 278 B4R0.1 C=CC(=O)N MCULE-4309430654 [0,1,0,0,0,0|1,0,2]=4 279 B4R0.1 C=CC(C)Cl MCULE-1756172983 [0,1,0,0,0,0|2,0,1]=4 280 B4R0.1 C=CC(C)N MCULE-5748048106 [0,1,0,0,0,0|1,0,1]=3 281 B4R0.1 C=CC(C)N MCULE-6786590923 [0,1,0,0,0,0|1,0,1]=3 282 B4R0.1 C=CC(C)O MCULE-4525368256 [0,1,0,0,0,0|2,0,1]=4 283 B4R0.1 C=C[C@@H](C)N MCULE-4388444035 [0,1,0,0,0,0|1,0,1]=3 284 B4R0.1 C=C[C@@H](C)N MCULE-6107415849 [0,1,0,0,0,0|1,0,1]=3 285 B4R0.1 C=C[C@@H](C)N MCULE-6707490046 [0,1,0,0,0,0|1,0,1]=3 286 B4R0.1 C=C[C@@H](C)N MCULE-9654995108 [0,1,0,0,0,0|1,0,1]=3 287 B4R0.1 C=C[C@H](C)N MCULE-1396113041 [0,1,0,0,0,0|1,0,1]=3 288 B4R0.1 C=C[C@H](C)N MCULE-2197513722 [0,1,0,0,0,0|1,0,1]=3 289 B4R0.1 C=C[C@H](C)N MCULE-4698235480 [0,1,0,0,0,0|1,0,1]=3 290 B4R0.1 C=C[C@H](C)N MCULE-8745929233 [0,1,0,0,0,0|1,0,1]=3 291 B4R0.1 C=C[C@H](C)O MCULE-2251589245 [0,1,0,0,0,0|2,0,1]=4 292 B4R0.1 CC(=N)NN MCULE-2302306720 [0,1,0,0,0,0|1,0,2]=4 293 B4R0.1 CC(=N)NN MCULE-5362481009 [0,1,0,0,0,0|1,0,2]=4 294 B4R0.1 CC(=NN)C MCULE-8828852790 [0,1,0,0,0,0|2,0,1]=4 295 B4R0.1 CC(=O)CBr MCULE-7812920675 [0,1,0,0,0,0|2,0,1]=4 296 B4R0.1 CC(=O)CCl MCULE-2501365933 [0,1,0,0,0,0|2,0,1]=4 297 B4R0.1 CC(=O)CF MCULE-7417279999 [0,1,0,0,0,0|2,0,1]=4 298 B4R0.1 CC(=O)CN MCULE-2715277783 [0,1,0,0,0,0|1,0,1]=3 299 B4R0.1 CC(=O)CN MCULE-6004541862 [0,1,0,0,0,0|1,0,1]=3 300 B4R0.1 CC(=O)CO MCULE-2989526028 [0,1,0,0,0,0|2,0,1]=4 301 B4R0.1 CC(=O)CS MCULE-9736174016 [0,1,0,0,0,0|2,0,1]=4 302 B4R0.1 CC(=O)NN MCULE-9183467120 [0,1,0,0,0,0|2,0,1]=4 303 B4R0.1 CC(Br)C#N MCULE-2994851090 [0,1,0,0,0,0|1,0,2]=4 304 B4R0.1 CC(Br)C=O MCULE-6060704330 [0,1,0,0,0,0|2,0,1]=4 305 B4R0.1 CC(Br)CBr MCULE-6304574748 [0,1,0,0,0,0|2,0,0]=3 306 B4R0.1 CC(Br)CCl MCULE-8021380791 [0,1,0,0,0,0|2,0,0]=3 307 B4R0.1 CC(Br)CN MCULE-5214613046 [0,1,0,0,0,0|1,0,0]=2 308 B4R0.1 CC(Br)CN MCULE-6326218362 [0,1,0,0,0,0|1,0,0]=2 309 B4R0.1 CC(Br)CO MCULE-8344365003 [0,1,0,0,0,0|2,0,0]=3 310 B4R0.1 CC(C)C#N MCULE-8390118776 [0,1,0,0,0,0|1,0,2]=4 311 B4R0.1 CC(C)C=O MCULE-3575731904 [0,1,0,0,0,0|2,0,1]=4 312 B4R0.1 CC(C)CBr MCULE-6039420480 [0,1,0,0,0,0|2,0,0]=3 313 B4R0.1 CC(C)CCl MCULE-6524976746 [0,1,0,0,0,0|2,0,0]=3 314 B4R0.1 CC(C)CI MCULE-5280589461 [0,1,0,0,0,0|2,0,0]=3 315 B4R0.1 CC(C)CN MCULE-2158650588 [0,1,0,0,0,0|1,0,0]=2 316 B4R0.1 CC(C)CN MCULE-6751437658 [0,1,0,0,0,0|1,0,0]=2 317 B4R0.1 CC(C)CN MCULE-8319193456 [0,1,0,0,0,0|1,0,0]=2 318 B4R0.1 CC(C)CN MCULE-8705657065 [0,1,0,0,0,0|1,0,0]=2 319 B4R0.1 CC(C)CO MCULE-6294327194 [0,1,0,0,0,0|2,0,0]=3 320 B4R0.1 CC(C)CP MCULE-3724358658 [0,1,0,0,0,0|1,1,0]=3 321 B4R0.1 CC(C)CS MCULE-7978911055 [0,1,0,0,0,0|2,0,0]=3 322 B4R0.1 CC(C)NN MCULE-4673953224 [0,1,0,0,0,0|2,0,0]=3 323 B4R0.1 CC(C)NN MCULE-7901160798 [0,1,0,0,0,0|2,0,0]=3 324 B4R0.1 CC(C)NN MCULE-9473118288 [0,1,0,0,0,0|2,0,0]=3 325 B4R0.1 CC(C)NO MCULE-6516566403 [0,1,0,0,0,0|3,0,0]=4 326 B4R0.1 CC(C)NO MCULE-8545146035 [0,1,0,0,0,0|3,0,0]=4 327 B4R0.1 CC(C)ON MCULE-4063407094 [0,1,0,0,0,0|2,0,0]=3 328 B4R0.1 CC(C)ON MCULE-9108231771 [0,1,0,0,0,0|2,0,0]=3 329 B4R0.1 CC(C)O[NH3+] MCULE-7527132972 [0,1,0,0,0,0|2,0,1]=4 330 B4R0.1 CC(C)O[NH3+] MCULE-8847326857 [0,1,0,0,0,0|2,0,1]=4 331 B4R0.1 CC(Cl)C#N MCULE-9841634909 [0,1,0,0,0,0|1,0,2]=4 332 B4R0.1 CC(Cl)CBr MCULE-8474943880 [0,1,0,0,0,0|2,0,0]=3 333 B4R0.1 CC(Cl)CCl MCULE-1548912109 [0,1,0,0,0,0|2,0,0]=3 334 B4R0.1 CC(Cl)CN MCULE-2637316379 [0,1,0,0,0,0|1,0,0]=2 335 B4R0.1 CC(Cl)CN MCULE-5591419030 [0,1,0,0,0,0|1,0,0]=2 336 B4R0.1 CC(Cl)CO MCULE-3857255988 [0,1,0,0,0,0|2,0,0]=3 337 B4R0.1 CC(Cl)CO MCULE-7538548427 [0,1,0,0,0,0|2,0,0]=3 338 B4R0.1 CC(F)CN MCULE-6584490651 [0,1,0,0,0,0|1,0,0]=2 339 B4R0.1 CC(F)CN MCULE-9499916116 [0,1,0,0,0,0|1,0,0]=2 340 B4R0.1 CC(F)CO MCULE-6006763378 [0,1,0,0,0,0|2,0,0]=3 341 B4R0.1 CC(N)C#N MCULE-4008524363 [0,1,0,0,0,0|0,0,2]=3 342 B4R0.1 CC(N)C#N MCULE-8654767875 [0,1,0,0,0,0|0,0,2]=3 343 B4R0.1 CC(N)C=O MCULE-3421118418 [0,1,0,0,0,0|1,0,1]=3 344 B4R0.1 CC(N)CBr MCULE-1783493149 [0,1,0,0,0,0|1,0,0]=2 345 B4R0.1 CC(N)CBr MCULE-2775398297 [0,1,0,0,0,0|1,0,0]=2 346 B4R0.1 CC(N)CCl MCULE-8652434595 [0,1,0,0,0,0|1,0,0]=2 347 B4R0.1 CC(N)CCl MCULE-9580466630 [0,1,0,0,0,0|1,0,0]=2 348 B4R0.1 CC(N)CF MCULE-1603143200 [0,1,0,0,0,0|1,0,0]=2 349 B4R0.1 CC(N)CF MCULE-3787216870 [0,1,0,0,0,0|1,0,0]=2 350 B4R0.1 CC(N)CF MCULE-4138869746 [0,1,0,0,0,0|1,0,0]=2 351 B4R0.1 CC(N)CF MCULE-8611760275 [0,1,0,0,0,0|1,0,0]=2 352 B4R0.1 CC(N)CN MCULE-2119036110 [0,1,0,0,0,0|0,0,0]=1 353 B4R0.1 CC(N)CN MCULE-6286216576 [0,1,0,0,0,0|0,0,0]=1 354 B4R0.1 CC(N)CN MCULE-9919433465 [0,1,0,0,0,0|0,0,0]=1 355 B4R0.1 CC(N)CO MCULE-1361379423 [0,1,0,0,0,0|1,0,0]=2 356 B4R0.1 CC(N)CO MCULE-2098440985 [0,1,0,0,0,0|1,0,0]=2 357 B4R0.1 CC(N)CS MCULE-1396853557 [0,1,0,0,0,0|1,0,0]=2 358 B4R0.1 CC(N)CS MCULE-4094732666 [0,1,0,0,0,0|1,0,0]=2 359 B4R0.1 CC(O)C#N MCULE-3166802314 [0,1,0,0,0,0|1,0,2]=4 360 B4R0.1 CC(O)CBr MCULE-7835094737 [0,1,0,0,0,0|2,0,0]=3 361 B4R0.1 CC(O)CCl MCULE-9140807958 [0,1,0,0,0,0|2,0,0]=3 362 B4R0.1 CC(O)CF MCULE-1023052065 [0,1,0,0,0,0|2,0,0]=3 363 B4R0.1 CC(O)CN MCULE-4370440652 [0,1,0,0,0,0|1,0,0]=2 364 B4R0.1 CC(O)CN MCULE-5694317743 [0,1,0,0,0,0|1,0,0]=2 365 B4R0.1 CC(O)CN MCULE-6406041538 [0,1,0,0,0,0|1,0,0]=2 366 B4R0.1 CC(O)CN MCULE-6636652305 [0,1,0,0,0,0|1,0,0]=2 367 B4R0.1 CC(O)CO MCULE-5574440784 [0,1,0,0,0,0|2,0,0]=3 368 B4R0.1 CC(O)CO MCULE-8743139013 [0,1,0,0,0,0|2,0,0]=3 369 B4R0.1 CC(O)CS MCULE-7881083356 [0,1,0,0,0,0|2,0,0]=3 370 B4R0.1 CC(O)C[NH3+] MCULE-6871369474 [0,1,0,0,0,0|1,0,1]=3 371 B4R0.1 CC(S)CN MCULE-1957568322 [0,1,0,0,0,0|1,0,0]=2 372 B4R0.1 CC(S)CN MCULE-7469442412 [0,1,0,0,0,0|1,0,0]=2 373 B4R0.1 CC(S)CO MCULE-5090908062 [0,1,0,0,0,0|2,0,0]=3 374 B4R0.1 CC(S)CS MCULE-9264694858 [0,1,0,0,0,0|2,0,0]=3 375 B4R0.1 CCB(O)O MCULE-1650960999 [0,1,0,0,0,0|3,0,0]=4 376 B4R0.1 CCC(=N)N MCULE-1856575742 [0,1,0,0,0,0|1,0,1]=3 377 B4R0.1 CCC(=N)N MCULE-2534386807 [0,1,0,0,0,0|1,0,1]=3 378 B4R0.1 CCC(=O)Br MCULE-7870678619 [0,1,0,0,0,0|2,0,1]=4 379 B4R0.1 CCC(=O)C MCULE-8276670748 [0,1,0,0,0,0|2,0,1]=4 380 B4R0.1 CCC(=O)Cl MCULE-3081874391 [0,1,0,0,0,0|2,0,1]=4 381 B4R0.1 CCC(=O)F MCULE-8783887670 [0,1,0,0,0,0|2,0,1]=4 382 B4R0.1 CCC(=O)N MCULE-3730796130 [0,1,0,0,0,0|1,0,1]=3 383 B4R0.1 CCC(=O)O MCULE-2199051150 [0,1,0,0,0,0|2,0,1]=4 384 B4R0.1 CCC(=O)O MCULE-9800054040 [0,1,0,0,0,0|2,0,1]=4 385 B4R0.1 CCC(=O)S MCULE-3392119766 [0,1,0,0,0,0|2,0,1]=4 386 B4R0.1 CCC(=O)[O-] MCULE-6321502767 [0,1,0,0,0,0|2,0,1]=4 387 B4R0.1 CCC(=S)N MCULE-3921479699 [0,1,0,0,0,0|1,0,1]=3 388 B4R0.1 CCC(C)Br MCULE-9661620259 [0,1,0,0,0,0|2,0,0]=3 389 B4R0.1 CCC(C)C MCULE-5376105936 [0,1,0,0,0,0|2,0,0]=3 390 B4R0.1 CCC(C)Cl MCULE-2954418486 [0,1,0,0,0,0|2,0,0]=3 391 B4R0.1 CCC(C)I MCULE-5239699587 [0,1,0,0,0,0|2,0,0]=3 392 B4R0.1 CCC(C)N MCULE-5041676035 [0,1,0,0,0,0|1,0,0]=2 393 B4R0.1 CCC(C)N MCULE-5835091553 [0,1,0,0,0,0|1,0,0]=2 394 B4R0.1 CCC(C)N MCULE-6631606230 [0,1,0,0,0,0|1,0,0]=2 395 B4R0.1 CCC(C)N MCULE-8165681721 [0,1,0,0,0,0|1,0,0]=2 396 B4R0.1 CCC(C)O MCULE-4099350806 [0,1,0,0,0,0|2,0,0]=3 397 B4R0.1 CCC(C)O MCULE-5005120003 [0,1,0,0,0,0|2,0,0]=3 398 B4R0.1 CCC(C)S MCULE-4988033753 [0,1,0,0,0,0|2,0,0]=3 399 B4R0.1 CCN(=O)=O MCULE-6603591614 [0,1,0,0,0,0|3,0,0]=4 400 B4R0.1 CCN(C)C MCULE-5825033552 [0,1,0,0,0,0|3,0,0]=4 401 B4R0.1 CCN(C)N MCULE-2279492356 [0,1,0,0,0,0|2,0,0]=3 402 B4R0.1 CCN(C)N MCULE-5660338703 [0,1,0,0,0,0|2,0,0]=3 403 B4R0.1 CCN(C)N MCULE-9839987578 [0,1,0,0,0,0|2,0,0]=3 404 B4R0.1 CCS(=O)C MCULE-4400935745 [0,1,0,0,0,0|3,0,0]=4 405 B4R0.1 CCS(=O)O MCULE-9872932319 [0,1,0,0,0,0|3,0,0]=4 406 B4R0.1 CCS(=O)[O-] MCULE-4386198822 [0,1,0,0,0,0|3,0,0]=4 407 B4R0.1 CC[C@@H](C)N MCULE-2017255826 [0,1,0,0,0,0|1,0,0]=2 408 B4R0.1 CC[C@@H](C)N MCULE-3555707512 [0,1,0,0,0,0|1,0,0]=2 409 B4R0.1 CC[C@@H](C)N MCULE-6783735598 [0,1,0,0,0,0|1,0,0]=2 410 B4R0.1 CC[C@@H](C)N MCULE-7004219201 [0,1,0,0,0,0|1,0,0]=2 411 B4R0.1 CC[C@@H](C)O MCULE-2661481448 [0,1,0,0,0,0|2,0,0]=3 412 B4R0.1 CC[C@@H](C)O MCULE-6785232833 [0,1,0,0,0,0|2,0,0]=3 413 B4R0.1 CC[C@H](C)N MCULE-2450201533 [0,1,0,0,0,0|1,0,0]=2 414 B4R0.1 CC[C@H](C)N MCULE-2998961427 [0,1,0,0,0,0|1,0,0]=2 415 B4R0.1 CC[C@H](C)N MCULE-6692190471 [0,1,0,0,0,0|1,0,0]=2 416 B4R0.1 CC[C@H](C)N MCULE-6904795465 [0,1,0,0,0,0|1,0,0]=2 417 B4R0.1 CC[C@H](C)O MCULE-3700911573 [0,1,0,0,0,0|2,0,0]=3 418 B4R0.1 CC[C@H](C)O MCULE-6063716138 [0,1,0,0,0,0|2,0,0]=3 419 B4R0.1 CN(C)CCl MCULE-4906480184 [0,1,0,0,0,0|3,0,0]=4 420 B4R0.1 CN(C)CCl MCULE-5465672480 [0,1,0,0,0,0|3,0,0]=4 421 B4R0.1 CN(N)C=O MCULE-6353057165 [0,1,0,0,0,0|2,0,1]=4 422 B4R0.1 CNC(=N)N MCULE-1074994749 [0,1,0,0,0,0|2,0,1]=4 423 B4R0.1 CNC(=N)N MCULE-6149731862 [0,1,0,0,0,0|2,0,1]=4 424 B4R0.1 CNC(=N)N MCULE-7667364021 [0,1,0,0,0,0|2,0,1]=4 425 B4R0.1 CNC(=N)N MCULE-7854448694 [0,1,0,0,0,0|2,0,1]=4 426 B4R0.1 CNC(=O)N MCULE-6422331704 [0,1,0,0,0,0|2,0,1]=4 427 B4R0.1 CNC(=S)N MCULE-7103250725 [0,1,0,0,0,0|2,0,1]=4 428 B4R0.1 CNC(C)C MCULE-3849513543 [0,1,0,0,0,0|3,0,0]=4 429 B4R0.1 COC(=N)N MCULE-1611076737 [0,1,0,0,0,0|2,0,1]=4 430 B4R0.1 COC(=N)N MCULE-4923904579 [0,1,0,0,0,0|2,0,1]=4 431 B4R0.1 COC(=N)N MCULE-6696789855 [0,1,0,0,0,0|2,0,1]=4 432 B4R0.1 COC(=N)N MCULE-9171600210 [0,1,0,0,0,0|2,0,1]=4 433 B4R0.1 COC(=O)N MCULE-4070607369 [0,1,0,0,0,0|2,0,1]=4 434 B4R0.1 COC(=S)N MCULE-9414558443 [0,1,0,0,0,0|2,0,1]=4 435 B4R0.1 COC(C)Cl MCULE-9043930044 [0,1,0,0,0,0|3,0,0]=4 436 B4R0.1 COC(Cl)Cl MCULE-7296291650 [0,1,0,0,0,0|3,0,0]=4 437 B4R0.1 CSC(=N)N MCULE-1471368384 [0,1,0,0,0,0|2,0,1]=4 438 B4R0.1 CSC(=N)N MCULE-3394284504 [0,1,0,0,0,0|2,0,1]=4 439 B4R0.1 CSC(=N)N MCULE-3752198299 [0,1,0,0,0,0|2,0,1]=4 440 B4R0.1 CSC(=N)N MCULE-5672446896 [0,1,0,0,0,0|2,0,1]=4 441 B4R0.1 CSC(=N)N MCULE-8409992127 [0,1,0,0,0,0|2,0,1]=4 442 B4R0.1 CSC(C)C MCULE-5932565699 [0,1,0,0,0,0|3,0,0]=4 443 B4R0.1 C[C@@H](Cl)CO MCULE-4834664531 [0,1,0,0,0,0|2,0,0]=3 444 B4R0.1 C[C@@H](Cl)CO MCULE-8797955903 [0,1,0,0,0,0|2,0,0]=3 445 B4R0.1 C[C@@H](F)CO MCULE-3312305972 [0,1,0,0,0,0|2,0,0]=3 446 B4R0.1 C[C@@H](F)CO MCULE-4754825872 [0,1,0,0,0,0|2,0,0]=3 447 B4R0.1 C[C@@H](N)C#N MCULE-4366493733 [0,1,0,0,0,0|0,0,2]=3 448 B4R0.1 C[C@@H](N)C#N MCULE-4475438132 [0,1,0,0,0,0|0,0,2]=3 449 B4R0.1 C[C@@H](N)C#N MCULE-8152568021 [0,1,0,0,0,0|0,0,2]=3 450 B4R0.1 C[C@@H](N)C#N MCULE-9327848803 [0,1,0,0,0,0|0,0,2]=3 451 B4R0.1 C[C@@H](N)CF MCULE-2227343602 [0,1,0,0,0,0|1,0,0]=2 452 B4R0.1 C[C@@H](N)CF MCULE-2283243747 [0,1,0,0,0,0|1,0,0]=2 453 B4R0.1 C[C@@H](N)CF MCULE-6326763354 [0,1,0,0,0,0|1,0,0]=2 454 B4R0.1 C[C@@H](N)CF MCULE-6630824972 [0,1,0,0,0,0|1,0,0]=2 455 B4R0.1 C[C@@H](N)CN MCULE-5207840256 [0,1,0,0,0,0|0,0,0]=1 456 B4R0.1 C[C@@H](N)CN MCULE-5332214014 [0,1,0,0,0,0|0,0,0]=1 457 B4R0.1 C[C@@H](N)CN MCULE-7816211809 [0,1,0,0,0,0|0,0,0]=1 458 B4R0.1 C[C@@H](N)CN MCULE-7982492466 [0,1,0,0,0,0|0,0,0]=1 459 B4R0.1 C[C@@H](N)CO MCULE-5655560645 [0,1,0,0,0,0|1,0,0]=2 460 B4R0.1 C[C@@H](N)CO MCULE-8066658004 [0,1,0,0,0,0|1,0,0]=2 461 B4R0.1 C[C@@H](O)C=O MCULE-5921136435 [0,1,0,0,0,0|2,0,1]=4 462 B4R0.1 C[C@@H](O)CCl MCULE-4669677883 [0,1,0,0,0,0|2,0,0]=3 463 B4R0.1 C[C@@H](O)CCl MCULE-7670590902 [0,1,0,0,0,0|2,0,0]=3 464 B4R0.1 C[C@@H](O)CN MCULE-9301041927 [0,1,0,0,0,0|1,0,0]=2 465 B4R0.1 C[C@@H](O)CO MCULE-4464598400 [0,1,0,0,0,0|2,0,0]=3 466 B4R0.1 C[C@@H](O)CO MCULE-9914833832 [0,1,0,0,0,0|2,0,0]=3 467 B4R0.1 C[C@@H](O)CS MCULE-8817452889 [0,1,0,0,0,0|2,0,0]=3 468 B4R0.1 C[C@H](Cl)CO MCULE-6747279587 [0,1,0,0,0,0|2,0,0]=3 469 B4R0.1 C[C@H](Cl)CO MCULE-8509218918 [0,1,0,0,0,0|2,0,0]=3 470 B4R0.1 C[C@H](F)CO MCULE-1024261541 [0,1,0,0,0,0|2,0,0]=3 471 B4R0.1 C[C@H](F)CO MCULE-7028098137 [0,1,0,0,0,0|2,0,0]=3 472 B4R0.1 C[C@H](N)C#N MCULE-2449963253 [0,1,0,0,0,0|0,0,2]=3 473 B4R0.1 C[C@H](N)C#N MCULE-3624286995 [0,1,0,0,0,0|0,0,2]=3 474 B4R0.1 C[C@H](N)CF MCULE-1053227516 [0,1,0,0,0,0|1,0,0]=2 475 B4R0.1 C[C@H](N)CF MCULE-4024916343 [0,1,0,0,0,0|1,0,0]=2 476 B4R0.1 C[C@H](N)CF MCULE-6312285034 [0,1,0,0,0,0|1,0,0]=2 477 B4R0.1 C[C@H](N)CF MCULE-7630744199 [0,1,0,0,0,0|1,0,0]=2 478 B4R0.1 C[C@H](N)CN MCULE-2048837128 [0,1,0,0,0,0|0,0,0]=1 479 B4R0.1 C[C@H](N)CN MCULE-4105152552 [0,1,0,0,0,0|0,0,0]=1 480 B4R0.1 C[C@H](N)CN MCULE-7106390536 [0,1,0,0,0,0|0,0,0]=1 481 B4R0.1 C[C@H](N)CN MCULE-9863306005 [0,1,0,0,0,0|0,0,0]=1 482 B4R0.1 C[C@H](N)CO MCULE-2471107013 [0,1,0,0,0,0|1,0,0]=2 483 B4R0.1 C[C@H](N)CO MCULE-5424195678 [0,1,0,0,0,0|1,0,0]=2 484 B4R0.1 C[C@H](O)CCl MCULE-3018109825 [0,1,0,0,0,0|2,0,0]=3 485 B4R0.1 C[C@H](O)CCl MCULE-5836677540 [0,1,0,0,0,0|2,0,0]=3 486 B4R0.1 C[C@H](O)CN MCULE-3227371869 [0,1,0,0,0,0|1,0,0]=2 487 B4R0.1 C[C@H](O)CN MCULE-5480489257 [0,1,0,0,0,0|1,0,0]=2 488 B4R0.1 C[C@H](O)CO MCULE-6582852191 [0,1,0,0,0,0|2,0,0]=3 489 B4R0.1 C[C@H](O)CO MCULE-8074793296 [0,1,0,0,0,0|2,0,0]=3 490 B4R0.1 C[C@H](O)CS MCULE-9061842733 [0,1,0,0,0,0|2,0,0]=3 491 B4R0.1 ClC(Br)CBr MCULE-4330156086 [0,1,0,0,0,0|2,0,0]=3 492 B4R0.1 ClC(Cl)CBr MCULE-8368261609 [0,1,0,0,0,0|2,0,0]=3 493 B4R0.1 ClCC(Cl)Cl MCULE-9302905435 [0,1,0,0,0,0|2,0,0]=3 494 B4R0.1 FC(Br)CBr MCULE-2977436061 [0,1,0,0,0,0|2,0,0]=3 495 B4R0.1 FC(Cl)CCl MCULE-6531960916 [0,1,0,0,0,0|2,0,0]=3 496 B4R0.1 FC(F)CBr MCULE-5166579689 [0,1,0,0,0,0|2,0,0]=3 497 B4R0.1 FC(F)CI MCULE-4051435294 [0,1,0,0,0,0|2,0,0]=3 498 B4R0.1 FCC(F)Cl MCULE-7439685421 [0,1,0,0,0,0|2,0,0]=3 499 B4R0.1 N#CC(Br)Br MCULE-1800101830 [0,1,0,0,0,0|1,0,2]=4 500 B4R0.1 N#CC(Cl)Br MCULE-6538424845 [0,1,0,0,0,0|1,0,2]=4 501 B4R0.1 N#CC(Cl)Cl MCULE-3471096624 [0,1,0,0,0,0|1,0,2]=4 502 B4R0.1 N#CC(F)Br MCULE-1171252970 [0,1,0,0,0,0|1,0,2]=4 503 B4R0.1 N#CC(F)Cl MCULE-4476744422 [0,1,0,0,0,0|1,0,2]=4 504 B4R0.1 N#CC(F)F MCULE-9223110695 [0,1,0,0,0,0|1,0,2]=4 505 B4R0.1 N=C(N)CCl MCULE-1495198330 [0,1,0,0,0,0|1,0,1]=3 506 B4R0.1 N=C(N)CCl MCULE-2087468158 [0,1,0,0,0,0|1,0,1]=3 507 B4R0.1 N=C(N)CF MCULE-4489534021 [0,1,0,0,0,0|1,0,1]=3 508 B4R0.1 N=C(N)CF MCULE-8858704396 [0,1,0,0,0,0|1,0,1]=3 509 B4R0.1 N=C(N)CN MCULE-2761790792 [0,1,0,0,0,0|0,0,1]=2 510 B4R0.1 N=C(N)CN MCULE-5131841850 [0,1,0,0,0,0|0,0,1]=2 511 B4R0.1 N=C(N)CN MCULE-6618111844 [0,1,0,0,0,0|0,0,1]=2 512 B4R0.1 N=C(N)CO MCULE-5146395919 [0,1,0,0,0,0|1,0,1]=3 513 B4R0.1 N=C(N)CO MCULE-8814507460 [0,1,0,0,0,0|1,0,1]=3 514 B4R0.1 N=C(N)NN MCULE-1109353559 [0,1,0,0,0,0|1,0,1]=3 515 B4R0.1 N=C(N)NN MCULE-3637328913 [0,1,0,0,0,0|1,0,1]=3 516 B4R0.1 N=C(N)NN MCULE-4551185793 [0,1,0,0,0,0|1,0,1]=3 517 B4R0.1 N=C(N)NN MCULE-8251830457 [0,1,0,0,0,0|1,0,1]=3 518 B4R0.1 N=C(N)NO MCULE-2554837832 [0,1,0,0,0,0|2,0,1]=4 519 B4R0.1 N=C(N)NO MCULE-5458374815 [0,1,0,0,0,0|2,0,1]=4 520 B4R0.1 N=C(N)NO MCULE-5913043834 [0,1,0,0,0,0|2,0,1]=4 521 B4R0.1 NC(=NO)N MCULE-7650923271 [0,1,0,0,0,0|2,0,1]=4 522 B4R0.1 NC(=O)CBr MCULE-9306090536 [0,1,0,0,0,0|1,0,1]=3 523 B4R0.1 NC(=O)CCl MCULE-3241549842 [0,1,0,0,0,0|1,0,1]=3 524 B4R0.1 NC(=O)CF MCULE-3344212657 [0,1,0,0,0,0|1,0,1]=3 525 B4R0.1 NC(=O)CI MCULE-4217973413 [0,1,0,0,0,0|1,0,1]=3 526 B4R0.1 NC(=O)CO MCULE-2739878376 [0,1,0,0,0,0|1,0,1]=3 527 B4R0.1 NC(=O)CS MCULE-2639305532 [0,1,0,0,0,0|1,0,1]=3 528 B4R0.1 NC(=O)NO MCULE-9465284053 [0,1,0,0,0,0|2,0,1]=4 529 B4R0.1 NC(=S)CF MCULE-7873791134 [0,1,0,0,0,0|1,0,1]=3 530 B4R0.1 NC(=S)CO MCULE-9301705313 [0,1,0,0,0,0|1,0,1]=3 531 B4R0.1 NCC(=O)N MCULE-1048848056 [0,1,0,0,0,0|0,0,1]=2 532 B4R0.1 NCC(=O)N MCULE-2174395809 [0,1,0,0,0,0|0,0,1]=2 533 B4R0.1 NCC(=O)N MCULE-6113166250 [0,1,0,0,0,0|0,0,1]=2 534 B4R0.1 NCC(=O)O MCULE-2415764032 [0,1,0,0,0,0|1,0,1]=3 535 B4R0.1 NCC(=O)O MCULE-3643110755 [0,1,0,0,0,0|1,0,1]=3 536 B4R0.1 NCC(=O)O MCULE-4349255299 [0,1,0,0,0,0|1,0,1]=3 537 B4R0.1 NCC(=O)O MCULE-9146223615 [0,1,0,0,0,0|1,0,1]=3 538 B4R0.1 NCC(=O)O MCULE-9701991737 [0,1,0,0,0,0|1,0,1]=3 539 B4R0.1 NCC(=O)S MCULE-9837799864 [0,1,0,0,0,0|1,0,1]=3 540 B4R0.1 NCC(=O)[O-] MCULE-5975202378 [0,1,0,0,0,0|1,0,1]=3 541 B4R0.1 NCC(Cl)Cl MCULE-6022785182 [0,1,0,0,0,0|1,0,0]=2 542 B4R0.1 NCC(Cl)Cl MCULE-8181626787 [0,1,0,0,0,0|1,0,0]=2 543 B4R0.1 NCC(F)F MCULE-5562582586 [0,1,0,0,0,0|1,0,0]=2 544 B4R0.1 NCC(F)F MCULE-9437628707 [0,1,0,0,0,0|1,0,0]=2 545 B4R0.1 NCS(=O)[O-] MCULE-6627922989 [0,1,0,0,0,0|2,0,0]=3 546 B4R0.1 NCS(=O)[O-] MCULE-9434739250 [0,1,0,0,0,0|2,0,0]=3 547 B4R0.1 NN=C(N)N MCULE-4671721847 [0,1,0,0,0,0|1,0,1]=3 548 B4R0.1 NNC(=O)N MCULE-3392559370 [0,1,0,0,0,0|1,0,1]=3 549 B4R0.1 NNC(=O)N MCULE-8490374775 [0,1,0,0,0,0|1,0,1]=3 550 B4R0.1 NNC(=S)N MCULE-2970024636 [0,1,0,0,0,0|1,0,1]=3 551 B4R0.1 NNC(=S)N MCULE-6378380063 [0,1,0,0,0,0|1,0,1]=3 552 B4R0.1 O=C(Br)CBr MCULE-6031858200 [0,1,0,0,0,0|2,0,1]=4 553 B4R0.1 O=C(Cl)CBr MCULE-7684029984 [0,1,0,0,0,0|2,0,1]=4 554 B4R0.1 O=C(Cl)CCl MCULE-7076914635 [0,1,0,0,0,0|2,0,1]=4 555 B4R0.1 O=C(Cl)CF MCULE-7182087882 [0,1,0,0,0,0|2,0,1]=4 556 B4R0.1 O=C(Cl)CI MCULE-5719121455 [0,1,0,0,0,0|2,0,1]=4 557 B4R0.1 O=C(O)CBr MCULE-1503716137 [0,1,0,0,0,0|2,0,1]=4 558 B4R0.1 O=C(O)CCl MCULE-9228754880 [0,1,0,0,0,0|2,0,1]=4 559 B4R0.1 O=C(O)CF MCULE-6584094437 [0,1,0,0,0,0|2,0,1]=4 560 B4R0.1 O=C(O)CI MCULE-3146792857 [0,1,0,0,0,0|2,0,1]=4 561 B4R0.1 O=C(O)CO MCULE-9792551388 [0,1,0,0,0,0|2,0,1]=4 562 B4R0.1 O=C(O)CS MCULE-8097997001 [0,1,0,0,0,0|2,0,1]=4 563 B4R0.1 O=C([O-])CF MCULE-8428965857 [0,1,0,0,0,0|2,0,1]=4 564 B4R0.1 O=C([O-])CO MCULE-2780567509 [0,1,0,0,0,0|2,0,1]=4 565 B4R0.1 O=C([O-])CS MCULE-3314809220 [0,1,0,0,0,0|2,0,1]=4 566 B4R0.1 O=C([O-])CS MCULE-5989133747 [0,1,0,0,0,0|2,0,1]=4 567 B4R0.1 O=CC(Cl)Cl MCULE-7925858204 [0,1,0,0,0,0|2,0,1]=4 568 B4R0.1 O=N(=O)CBr MCULE-5030744397 [0,1,0,0,0,0|3,0,0]=4 569 B4R0.1 O=N(=O)CF MCULE-9920695539 [0,1,0,0,0,0|3,0,0]=4 570 B4R0.1 O=S(O)CO MCULE-4195832185 [0,1,0,0,0,0|3,0,0]=4 571 B4R0.1 O=S([O-])CF MCULE-5711587598 [0,1,0,0,0,0|3,0,0]=4 572 B4R0.1 O=S([O-])CF MCULE-9276464291 [0,1,0,0,0,0|3,0,0]=4 573 B4R0.1 O=S([O-])CO MCULE-5211722344 [0,1,0,0,0,0|3,0,0]=4 574 B4R0.1 OB(O)CCl MCULE-1740750359 [0,1,0,0,0,0|3,0,0]=4 575 B4R0.1 OCC(Cl)Cl MCULE-3279441180 [0,1,0,0,0,0|2,0,0]=3 576 B4R0.1 OCC(F)Br MCULE-5466660542 [0,1,0,0,0,0|2,0,0]=3 577 B4R0.1 OCC(F)F MCULE-3252378943 [0,1,0,0,0,0|2,0,0]=3 578 B4R0.1 P(=O)(O)CN MCULE-5441171864 [0,1,0,0,0,0|2,0,0]=3 579 B4R0.1 [C@@H](C)(O)C#C MCULE-8971134855 [0,1,0,0,0,0|2,0,1]=4 580 B4R0.1 [C@H](C)(O)CN MCULE-8212000072 [0,1,0,0,0,0|1,0,0]=2 581 B4R0.1 [NH3+]C(C)CC MCULE-3066898055 [0,1,0,0,0,0|1,0,1]=3 582 B4R0.1 [NH3+]NC(=N)N MCULE-6971198355 [0,1,0,0,0,0|1,0,2]=4 583 B4R0.2 BrC#CCBr MCULE-2798351684 [0,1,0,0,0,0|2,0,1]=4 584 B4R0.2 BrC=CCBr MCULE-1480697982 [0,1,0,0,0,0|2,0,1]=4 585 B4R0.2 BrCCCBr MCULE-6500110480 [0,1,0,0,0,0|2,0,0]=3 586 B4R0.2 BrCCCI MCULE-6470610840 [0,1,0,0,0,0|2,0,0]=3 587 B4R0.2 BrCOCBr MCULE-2371209322 [0,1,0,0,0,0|2,0,0]=3 588 B4R0.2 C#CCCBr MCULE-1495603480 [0,1,0,0,0,0|2,0,0]=3 589 B4R0.2 C#CCCC MCULE-1233806896 [0,1,0,0,0,0|2,0,0]=3 590 B4R0.2 C#CCCCl MCULE-5602517887 [0,1,0,0,0,0|2,0,0]=3 591 B4R0.2 C#CCCI MCULE-2832310719 [0,1,0,0,0,0|2,0,0]=3 592 B4R0.2 C#CCCN MCULE-1223656854 [0,1,0,0,0,0|1,0,0]=2 593 B4R0.2 C#CCCN MCULE-6408469965 [0,1,0,0,0,0|1,0,0]=2 594 B4R0.2 C#CCCO MCULE-1797559276 [0,1,0,0,0,0|2,0,0]=3 595 B4R0.2 C#CCCO MCULE-8743964065 [0,1,0,0,0,0|2,0,0]=3 596 B4R0.2 C#CCNC MCULE-9758975590 [0,1,0,0,0,0|1,0,1]=3 597 B4R0.2 C#CCNN MCULE-4982688533 [0,1,0,0,0,0|1,0,1]=3 598 B4R0.2 C#CCNN MCULE-9271344952 [0,1,0,0,0,0|1,0,1]=3 599 B4R0.2 C#CCNO MCULE-7210831528 [0,1,0,0,0,0|1,0,1]=3 600 B4R0.2 C#CCNO MCULE-8082854360 [0,1,0,0,0,0|1,0,1]=3 601 B4R0.2 C#CCOC MCULE-9172422462 [0,1,0,0,0,0|2,0,1]=4 602 B4R0.2 C#CCON MCULE-1220634713 [0,1,0,0,0,0|1,0,1]=3 603 B4R0.2 C#CCON MCULE-5781631200 [0,1,0,0,0,0|1,0,1]=3 604 B4R0.2 C#CCSC MCULE-6808040899 [0,1,0,0,0,0|2,0,1]=4 605 B4R0.2 C#COCC MCULE-1522528824 [0,1,0,0,0,0|2,0,1]=4 606 B4R0.2 C/C=C/CCl MCULE-9977493525 [0,1,0,0,0,0|2,0,1]=4 607 B4R0.2 C/C=C/CO MCULE-2383161163 [0,1,0,0,0,0|2,0,1]=4 608 B4R0.2 C/C=C\CO MCULE-5924662327 [0,1,0,0,0,0|2,0,1]=4 609 B4R0.2 C=C=CCC MCULE-6123315571 [0,1,0,0,0,0|2,0,1]=4 610 B4R0.2 C=C=CCN MCULE-5700871644 [0,1,0,0,0,0|1,0,1]=3 611 B4R0.2 C=C=CCN MCULE-9120483529 [0,1,0,0,0,0|1,0,1]=3 612 B4R0.2 C=C=CCO MCULE-5424851896 [0,1,0,0,0,0|2,0,1]=4 613 B4R0.2 C=CCC#N MCULE-2566589348 [0,1,0,0,0,0|1,0,2]=4 614 B4R0.2 C=CCCBr MCULE-2890129103 [0,1,0,0,0,0|2,0,0]=3 615 B4R0.2 C=CCCC MCULE-8386546337 [0,1,0,0,0,0|2,0,0]=3 616 B4R0.2 C=CCCCl MCULE-5903789900 [0,1,0,0,0,0|2,0,0]=3 617 B4R0.2 C=CCCI MCULE-1055671394 [0,1,0,0,0,0|2,0,0]=3 618 B4R0.2 C=CCCN MCULE-2471716627 [0,1,0,0,0,0|1,0,0]=2 619 B4R0.2 C=CCCN MCULE-2881108697 [0,1,0,0,0,0|1,0,0]=2 620 B4R0.2 C=CCCO MCULE-4582400839 [0,1,0,0,0,0|2,0,0]=3 621 B4R0.2 C=CCNC MCULE-3335720336 [0,1,0,0,0,0|1,0,1]=3 622 B4R0.2 C=CCNN MCULE-2550690274 [0,1,0,0,0,0|1,0,1]=3 623 B4R0.2 C=CCNN MCULE-3554567414 [0,1,0,0,0,0|1,0,1]=3 624 B4R0.2 C=CCNN MCULE-8741523989 [0,1,0,0,0,0|1,0,1]=3 625 B4R0.2 C=CCOC MCULE-3321225771 [0,1,0,0,0,0|2,0,1]=4 626 B4R0.2 C=CCON MCULE-2094787759 [0,1,0,0,0,0|1,0,1]=3 627 B4R0.2 C=CCON MCULE-6222602533 [0,1,0,0,0,0|1,0,1]=3 628 B4R0.2 C=CCSC MCULE-4452023915 [0,1,0,0,0,0|2,0,1]=4 629 B4R0.2 C=COCC MCULE-2569047033 [0,1,0,0,0,0|2,0,1]=4 630 B4R0.2 C=CSCC MCULE-8927374165 [0,1,0,0,0,0|2,0,1]=4 631 B4R0.2 C=NCC#N MCULE-3686954074 [0,1,0,0,0,0|0,0,3]=4 632 B4R0.2 CC#CCBr MCULE-3596191560 [0,1,0,0,0,0|2,0,1]=4 633 B4R0.2 CC#CCC MCULE-8848779220 [0,1,0,0,0,0|2,0,1]=4 634 B4R0.2 CC#CCI MCULE-3596701582 [0,1,0,0,0,0|2,0,1]=4 635 B4R0.2 CC#CCN MCULE-7027146471 [0,1,0,0,0,0|1,0,1]=3 636 B4R0.2 CC#CCN MCULE-9570644542 [0,1,0,0,0,0|1,0,1]=3 637 B4R0.2 CC#CCO MCULE-5096552076 [0,1,0,0,0,0|2,0,1]=4 638 B4R0.2 CC=CCBr MCULE-7855581866 [0,1,0,0,0,0|2,0,1]=4 639 B4R0.2 CC=CCC MCULE-5931905453 [0,1,0,0,0,0|2,0,1]=4 640 B4R0.2 CC=CCCl MCULE-3941962217 [0,1,0,0,0,0|2,0,1]=4 641 B4R0.2 CC=CCO MCULE-7490725844 [0,1,0,0,0,0|2,0,1]=4 642 B4R0.2 CCC#CI MCULE-6466997582 [0,1,0,0,0,0|2,0,1]=4 643 B4R0.2 CCC=CBr MCULE-4471551501 [0,1,0,0,0,0|2,0,1]=4 644 B4R0.2 CCC=NO MCULE-9457280654 [0,1,0,0,0,0|1,0,2]=4 645 B4R0.2 CCCC#N MCULE-8571076087 [0,1,0,0,0,0|1,0,1]=3 646 B4R0.2 CCCC=O MCULE-8530391347 [0,1,0,0,0,0|2,0,0]=3 647 B4R0.2 CCCCBr MCULE-3390217131 [0,1,0,0,0,0|2,0,0]=3 648 B4R0.2 CCCCC MCULE-4643148765 [0,1,0,0,0,0|2,0,0]=3 649 B4R0.2 CCCCCl MCULE-5329900290 [0,1,0,0,0,0|2,0,0]=3 650 B4R0.2 CCCCF MCULE-7225760858 [0,1,0,0,0,0|2,0,0]=3 651 B4R0.2 CCCCI MCULE-1160974720 [0,1,0,0,0,0|2,0,0]=3 652 B4R0.2 CCCCN MCULE-1731874934 [0,1,0,0,0,0|1,0,0]=2 653 B4R0.2 CCCCN MCULE-4233278050 [0,1,0,0,0,0|1,0,0]=2 654 B4R0.2 CCCCN MCULE-5242069370 [0,1,0,0,0,0|1,0,0]=2 655 B4R0.2 CCCCN MCULE-7343835253 [0,1,0,0,0,0|1,0,0]=2 656 B4R0.2 CCCCO MCULE-1571156443 [0,1,0,0,0,0|2,0,0]=3 657 B4R0.2 CCCCS MCULE-9441213933 [0,1,0,0,0,0|2,0,0]=3 658 B4R0.2 CCCNC MCULE-2266616259 [0,1,0,0,0,0|1,0,0]=2 659 B4R0.2 CCCNC MCULE-7722796872 [0,1,0,0,0,0|1,0,0]=2 660 B4R0.2 CCCNN MCULE-4121438775 [0,1,0,0,0,0|1,0,0]=2 661 B4R0.2 CCCNN MCULE-5875592228 [0,1,0,0,0,0|1,0,0]=2 662 B4R0.2 CCCNN MCULE-9585694661 [0,1,0,0,0,0|1,0,0]=2 663 B4R0.2 CCCOC MCULE-5854067718 [0,1,0,0,0,0|2,0,0]=3 664 B4R0.2 CCCON MCULE-4800172637 [0,1,0,0,0,0|1,0,0]=2 665 B4R0.2 CCCON MCULE-7988781002 [0,1,0,0,0,0|1,0,0]=2 666 B4R0.2 CCCSC MCULE-8387041737 [0,1,0,0,0,0|2,0,0]=3 667 B4R0.2 CCN=C=O MCULE-6522145601 [0,1,0,0,0,0|2,0,1]=4 668 B4R0.2 CCN=C=S MCULE-9838756606 [0,1,0,0,0,0|2,0,1]=4 669 B4R0.2 CCNC=O MCULE-9309926274 [0,1,0,0,0,0|2,0,1]=4 670 B4R0.2 CCNCC MCULE-3395060353 [0,1,0,0,0,0|2,0,0]=3 671 B4R0.2 CCNCC MCULE-4374609736 [0,1,0,0,0,0|2,0,0]=3 672 B4R0.2 CCNCC MCULE-4555901025 [0,1,0,0,0,0|2,0,0]=3 673 B4R0.2 CCNCC MCULE-6895602113 [0,1,0,0,0,0|2,0,0]=3 674 B4R0.2 CCNOC MCULE-4797714235 [0,1,0,0,0,0|3,0,0]=4 675 B4R0.2 CCNOC MCULE-6486167423 [0,1,0,0,0,0|3,0,0]=4 676 B4R0.2 CCOC=N MCULE-5321655909 [0,1,0,0,0,0|1,0,2]=4 677 B4R0.2 CCOC=N MCULE-8158357614 [0,1,0,0,0,0|1,0,2]=4 678 B4R0.2 CCOC=O MCULE-6245072161 [0,1,0,0,0,0|2,0,1]=4 679 B4R0.2 CCOCBr MCULE-6644755987 [0,1,0,0,0,0|2,0,0]=3 680 B4R0.2 CCOCC MCULE-5665709021 [0,1,0,0,0,0|2,0,0]=3 681 B4R0.2 CCOCCl MCULE-5087992840 [0,1,0,0,0,0|2,0,0]=3 682 B4R0.2 CCONC MCULE-5446312516 [0,1,0,0,0,0|2,0,0]=3 683 B4R0.2 CCONC MCULE-7976027802 [0,1,0,0,0,0|2,0,0]=3 684 B4R0.2 CCSC#N MCULE-1270730084 [0,1,0,0,0,0|1,0,2]=4 685 B4R0.2 CCSCC MCULE-6480710239 [0,1,0,0,0,0|2,0,0]=3 686 B4R0.2 CCSCCl MCULE-3890542152 [0,1,0,0,0,0|2,0,0]=3 687 B4R0.2 CCSSC MCULE-9430585714 [0,1,0,0,0,0|3,0,0]=4 688 B4R0.2 CC[NH2+]CC MCULE-9899430356 [0,1,0,0,0,0|2,0,0]=3 689 B4R0.2 CNCC#N MCULE-1233170363 [0,1,0,0,0,0|0,0,2]=3 690 B4R0.2 CNCC#N MCULE-4334159739 [0,1,0,0,0,0|0,0,2]=3 691 B4R0.2 CNCC#N MCULE-8267124503 [0,1,0,0,0,0|0,0,2]=3 692 B4R0.2 CNCCBr MCULE-3708780806 [0,1,0,0,0,0|1,0,0]=2 693 B4R0.2 CNCCBr MCULE-6840755559 [0,1,0,0,0,0|1,0,0]=2 694 B4R0.2 CNCCCl MCULE-1666345560 [0,1,0,0,0,0|1,0,0]=2 695 B4R0.2 CNCCCl MCULE-8215813413 [0,1,0,0,0,0|1,0,0]=2 696 B4R0.2 CNCCF MCULE-3719880423 [0,1,0,0,0,0|1,0,0]=2 697 B4R0.2 CNCCF MCULE-3751701745 [0,1,0,0,0,0|1,0,0]=2 698 B4R0.2 CNCCI MCULE-7026781832 [0,1,0,0,0,0|1,0,0]=2 699 B4R0.2 CNCCI MCULE-8892686580 [0,1,0,0,0,0|1,0,0]=2 700 B4R0.2 CNCCN MCULE-2881688448 [0,1,0,0,0,0|0,0,0]=1 701 B4R0.2 CNCCN MCULE-7199403269 [0,1,0,0,0,0|0,0,0]=1 702 B4R0.2 CNCCO MCULE-7051900771 [0,1,0,0,0,0|1,0,0]=2 703 B4R0.2 CNCCO MCULE-7934732981 [0,1,0,0,0,0|1,0,0]=2 704 B4R0.2 CNCCS MCULE-6430516369 [0,1,0,0,0,0|1,0,0]=2 705 B4R0.2 COCC#N MCULE-9178522865 [0,1,0,0,0,0|1,0,2]=4 706 B4R0.2 COCC=O MCULE-9427361019 [0,1,0,0,0,0|2,0,1]=4 707 B4R0.2 COCCBr MCULE-8316331262 [0,1,0,0,0,0|2,0,0]=3 708 B4R0.2 COCCCl MCULE-8886627413 [0,1,0,0,0,0|2,0,0]=3 709 B4R0.2 COCCI MCULE-9391124374 [0,1,0,0,0,0|2,0,0]=3 710 B4R0.2 COCCN MCULE-5051556646 [0,1,0,0,0,0|1,0,0]=2 711 B4R0.2 COCCN MCULE-7519068386 [0,1,0,0,0,0|1,0,0]=2 712 B4R0.2 COCCO MCULE-4751927883 [0,1,0,0,0,0|2,0,0]=3 713 B4R0.2 COCCS MCULE-7803276094 [0,1,0,0,0,0|2,0,0]=3 714 B4R0.2 COCOC MCULE-8559076702 [0,1,0,0,0,0|3,0,0]=4 715 B4R0.2 COCON MCULE-6032854331 [0,1,0,0,0,0|2,0,0]=3 716 B4R0.2 CSCC#N MCULE-3607261611 [0,1,0,0,0,0|1,0,2]=4 717 B4R0.2 CSCCBr MCULE-1684461541 [0,1,0,0,0,0|2,0,0]=3 718 B4R0.2 CSCCCl MCULE-8593103756 [0,1,0,0,0,0|2,0,0]=3 719 B4R0.2 CSCCN MCULE-5168245255 [0,1,0,0,0,0|1,0,0]=2 720 B4R0.2 CSCCN MCULE-6275285732 [0,1,0,0,0,0|1,0,0]=2 721 B4R0.2 CSCCO MCULE-9706874325 [0,1,0,0,0,0|2,0,0]=3 722 B4R0.2 CSCSC MCULE-5603964020 [0,1,0,0,0,0|3,0,0]=4 723 B4R0.2 Cl/C=C/CCl MCULE-4516188972 [0,1,0,0,0,0|2,0,1]=4 724 B4R0.2 ClC/C=C/Br MCULE-1061414929 [0,1,0,0,0,0|2,0,1]=4 725 B4R0.2 ClC=CCCl MCULE-4655672652 [0,1,0,0,0,0|2,0,1]=4 726 B4R0.2 ClCCCBr MCULE-7937580875 [0,1,0,0,0,0|2,0,0]=3 727 B4R0.2 ClCCCCl MCULE-6693270397 [0,1,0,0,0,0|2,0,0]=3 728 B4R0.2 ClCCCI MCULE-1521526833 [0,1,0,0,0,0|2,0,0]=3 729 B4R0.2 ClCSCCl MCULE-5228778525 [0,1,0,0,0,0|2,0,0]=3 730 B4R0.2 FCCCBr MCULE-5674735753 [0,1,0,0,0,0|2,0,0]=3 731 B4R0.2 FCCCF MCULE-1803511350 [0,1,0,0,0,0|2,0,0]=3 732 B4R0.2 FCCCI MCULE-9287814857 [0,1,0,0,0,0|2,0,0]=3 733 B4R0.2 ICCCI MCULE-9849754168 [0,1,0,0,0,0|2,0,0]=3 734 B4R0.2 ICOCI MCULE-4901830231 [0,1,0,0,0,0|2,0,0]=3 735 B4R0.2 N#CCC#N MCULE-6287283578 [0,1,0,0,0,0|0,0,3]=4 736 B4R0.2 N#CCCBr MCULE-1744180602 [0,1,0,0,0,0|1,0,1]=3 737 B4R0.2 N#CCCCl MCULE-3511379481 [0,1,0,0,0,0|1,0,1]=3 738 B4R0.2 N#CCCI MCULE-1591942951 [0,1,0,0,0,0|1,0,1]=3 739 B4R0.2 N#CCCN MCULE-8482296338 [0,1,0,0,0,0|0,0,1]=2 740 B4R0.2 N#CCCN MCULE-9518086954 [0,1,0,0,0,0|0,0,1]=2 741 B4R0.2 N#CCCO MCULE-5098987368 [0,1,0,0,0,0|1,0,1]=3 742 B4R0.2 N#CCCS MCULE-7199964466 [0,1,0,0,0,0|1,0,1]=3 743 B4R0.2 N#CCNO MCULE-6808474875 [0,1,0,0,0,0|0,0,2]=3 744 B4R0.2 N#CCON MCULE-1849571406 [0,1,0,0,0,0|0,0,2]=3 745 B4R0.2 N#CCON MCULE-2156159928 [0,1,0,0,0,0|0,0,2]=3 746 B4R0.2 N#CSCBr MCULE-8731078262 [0,1,0,0,0,0|1,0,2]=4 747 B4R0.2 N#CSCCl MCULE-2916227294 [0,1,0,0,0,0|1,0,2]=4 748 B4R0.2 N/C=C/C=O MCULE-2444951625 [0,1,0,0,0,0|1,0,2]=4 749 B4R0.2 NC=CC=O MCULE-4070918342 [0,1,0,0,0,0|1,0,2]=4 750 B4R0.2 NCCCBr MCULE-5485748003 [0,1,0,0,0,0|1,0,0]=2 751 B4R0.2 NCCCBr MCULE-7072709972 [0,1,0,0,0,0|1,0,0]=2 752 B4R0.2 NCCCCl MCULE-1324157004 [0,1,0,0,0,0|1,0,0]=2 753 B4R0.2 NCCCCl MCULE-3667248190 [0,1,0,0,0,0|1,0,0]=2 754 B4R0.2 NCCCF MCULE-5215746973 [0,1,0,0,0,0|1,0,0]=2 755 B4R0.2 NCCCF MCULE-8077133369 [0,1,0,0,0,0|1,0,0]=2 756 B4R0.2 NCCCI MCULE-3534892097 [0,1,0,0,0,0|1,0,0]=2 757 B4R0.2 NCCCI MCULE-8010453546 [0,1,0,0,0,0|1,0,0]=2 758 B4R0.2 NCCCN MCULE-4293255820 [0,1,0,0,0,0|0,0,0]=1 759 B4R0.2 NCCCN MCULE-5041378433 [0,1,0,0,0,0|0,0,0]=1 760 B4R0.2 NCCCN MCULE-6944452060 [0,1,0,0,0,0|0,0,0]=1 761 B4R0.2 NCCCN MCULE-7375662153 [0,1,0,0,0,0|0,0,0]=1 762 B4R0.2 NCCCN MCULE-8277465929 [0,1,0,0,0,0|0,0,0]=1 763 B4R0.2 NCCCN MCULE-9929373126 [0,1,0,0,0,0|0,0,0]=1 764 B4R0.2 NCCCO MCULE-2851278356 [0,1,0,0,0,0|1,0,0]=2 765 B4R0.2 NCCCO MCULE-9698089092 [0,1,0,0,0,0|1,0,0]=2 766 B4R0.2 NCCCS MCULE-3994478020 [0,1,0,0,0,0|1,0,0]=2 767 B4R0.2 NCCCS MCULE-7730973866 [0,1,0,0,0,0|1,0,0]=2 768 B4R0.2 NCCON MCULE-3613980902 [0,1,0,0,0,0|0,0,0]=1 769 B4R0.2 NCCON MCULE-7030217952 [0,1,0,0,0,0|0,0,0]=1 770 B4R0.2 NCCON MCULE-8959912781 [0,1,0,0,0,0|0,0,0]=1 771 B4R0.2 NNCCF MCULE-2712460031 [0,1,0,0,0,0|1,0,0]=2 772 B4R0.2 NNCCF MCULE-8505927457 [0,1,0,0,0,0|1,0,0]=2 773 B4R0.2 NNCCO MCULE-1290652744 [0,1,0,0,0,0|1,0,0]=2 774 B4R0.2 NOCCBr MCULE-2796346082 [0,1,0,0,0,0|1,0,0]=2 775 B4R0.2 NOCCBr MCULE-5636354898 [0,1,0,0,0,0|1,0,0]=2 776 B4R0.2 NOCCCl MCULE-5981688956 [0,1,0,0,0,0|1,0,0]=2 777 B4R0.2 NOCCF MCULE-1813481600 [0,1,0,0,0,0|1,0,0]=2 778 B4R0.2 NOCCF MCULE-2993254805 [0,1,0,0,0,0|1,0,0]=2 779 B4R0.2 NOCCO MCULE-2545004367 [0,1,0,0,0,0|1,0,0]=2 780 B4R0.2 O=C=NCCl MCULE-7751104052 [0,1,0,0,0,0|2,0,1]=4 781 B4R0.2 O=CCCBr MCULE-4107157458 [0,1,0,0,0,0|2,0,0]=3 782 B4R0.2 O=CCCCl MCULE-5863929313 [0,1,0,0,0,0|2,0,0]=3 783 B4R0.2 O=CCCI MCULE-9771140462 [0,1,0,0,0,0|2,0,0]=3 784 B4R0.2 O=CCCO MCULE-1685289763 [0,1,0,0,0,0|2,0,0]=3 785 B4R0.2 OC=CCCl MCULE-4750991393 [0,1,0,0,0,0|2,0,1]=4 786 B4R0.2 OCC#CBr MCULE-2495653455 [0,1,0,0,0,0|2,0,1]=4 787 B4R0.2 OCC#CI MCULE-1101149708 [0,1,0,0,0,0|2,0,1]=4 788 B4R0.2 OCC=CBr MCULE-4636104289 [0,1,0,0,0,0|2,0,1]=4 789 B4R0.2 OCC=CCl MCULE-2110127594 [0,1,0,0,0,0|2,0,1]=4 790 B4R0.2 OCCCBr MCULE-3450011527 [0,1,0,0,0,0|2,0,0]=3 791 B4R0.2 OCCCCl MCULE-2319230957 [0,1,0,0,0,0|2,0,0]=3 792 B4R0.2 OCCCF MCULE-2347934403 [0,1,0,0,0,0|2,0,0]=3 793 B4R0.2 OCCCI MCULE-5200713967 [0,1,0,0,0,0|2,0,0]=3 794 B4R0.2 OCCCO MCULE-5166824786 [0,1,0,0,0,0|2,0,0]=3 795 B4R0.2 OCCCS MCULE-7930164048 [0,1,0,0,0,0|2,0,0]=3 796 B4R0.2 ON=CCCl MCULE-5736695742 [0,1,0,0,0,0|1,0,2]=4 797 B4R0.2 PCCCP MCULE-6048146071 [0,1,0,0,0,0|0,2,0]=3 798 B4R0.2 SCCCBr MCULE-4627341228 [0,1,0,0,0,0|2,0,0]=3 799 B4R0.2 SCCCCl MCULE-6410389127 [0,1,0,0,0,0|2,0,0]=3 800 B4R0.2 SCCCS MCULE-8220630729 [0,1,0,0,0,0|2,0,0]=3 801 B4R0.2 [NH2+](CC)CC MCULE-1192179232 [0,1,0,0,0,0|2,0,0]=3 802 B4R0.2 [NH3+]OCO[NH3+] MCULE-1014646507 [0,1,0,0,0,0|1,0,2]=4 803 B4R0.2 [NH3+]OCO[NH3+] MCULE-2130820760 [0,1,0,0,0,0|1,0,2]=4 804 B4R1.1 C1CNC1 MCULE-2817120281 [0,0,0,1,0,0|1,0,0]=2 805 B4R1.1 C1CNC1 MCULE-5348168818 [0,0,0,1,0,0|1,0,0]=2 806 B4R1.1 C1COC1 MCULE-4105779148 [0,0,0,1,0,0|2,0,0]=3 807 B4R1.1 C1CSC1 MCULE-2361125802 [0,0,0,1,0,0|2,0,0]=3 808 B4R1.2 BrC1CC1 MCULE-3656295609 [0,0,0,1,0,0|2,0,0]=3 809 B4R1.2 CC1CC1 MCULE-5909419916 [0,0,0,1,0,0|2,0,0]=3 810 B4R1.2 CC1CN1 MCULE-2953452695 [0,0,0,1,0,0|1,0,0]=2 811 B4R1.2 CC1CO1 MCULE-4799904973 [0,0,0,1,0,0|2,0,0]=3 812 B4R1.2 CC1CO1 MCULE-9508255430 [0,0,0,1,0,0|2,0,0]=3 813 B4R1.2 CC1CS1 MCULE-2534699321 [0,0,0,1,0,0|2,0,0]=3 814 B4R1.2 C[C@@H]1CO1 MCULE-5437340901 [0,0,0,1,0,0|2,0,0]=3 815 B4R1.2 C[C@@H]1CO1 MCULE-6874302400 [0,0,0,1,0,0|2,0,0]=3 816 B4R1.2 C[C@H]1CO1 MCULE-4667457959 [0,0,0,1,0,0|2,0,0]=3 817 B4R1.2 IC1CC1 MCULE-6043109265 [0,0,0,1,0,0|2,0,0]=3 818 B4R1.2 NC1CC1 MCULE-1933360330 [0,0,0,1,0,0|1,0,0]=2 819 B4R1.2 NC1CC1 MCULE-6187070220 [0,0,0,1,0,0|1,0,0]=2 820 B4R1.2 OC1CC1 MCULE-8237846154 [0,0,0,1,0,0|2,0,0]=3 821 B4R1.2 SC1CC1 MCULE-1371610395 [0,0,0,1,0,0|2,0,0]=3 822 B4R1.2 [C@@H]1(CN1)C MCULE-4079798985 [0,0,0,1,0,0|1,0,0]=2 823 B1R0.1 B#N MCULE-8159199519 [2,0,0,0,0,0|1,0,1]=4 824 B1R0.1 BB MCULE-2371255947 [2,0,0,0,0,0|2,0,0]=4 825 B1R0.1 BrI MCULE-5496994170 [2,0,0,0,0,0|2,0,0]=4 826 B1R0.1 C=C MCULE-9947181734 [2,0,0,0,0,0|0,0,2]=4 827 B1R0.1 C=O MCULE-1476806907 [2,0,0,0,0,0|1,0,1]=4 828 B1R0.1 CBr MCULE-1876139964 [2,0,0,0,0,0|1,0,0]=3 829 B1R0.1 CC MCULE-8677953674 [2,0,0,0,0,0|0,0,0]=2 830 B1R0.1 CCl MCULE-5688128737 [2,0,0,0,0,0|1,0,0]=3 831 B1R0.1 CI MCULE-1718786667 [2,0,0,0,0,0|1,0,0]=3 832 B1R0.1 CN MCULE-1379281060 [2,0,0,0,0,0|0,0,0]=2 833 B1R0.1 CN MCULE-4450712424 [2,0,0,0,0,0|0,0,0]=2 834 B1R0.1 CO MCULE-1370061678 [2,0,0,0,0,0|1,0,0]=3 835 B1R0.1 C[NH3+] MCULE-5634967688 [2,0,0,0,0,0|0,0,1]=3 836 B1R0.1 C[NH3+] MCULE-7322614094 [2,0,0,0,0,0|0,0,1]=3 837 B1R0.1 ClI MCULE-2019940435 [2,0,0,0,0,0|2,0,0]=4 838 B1R0.1 II MCULE-3297948557 [2,0,0,0,0,0|2,0,0]=4 839 B1R0.1 II MCULE-5919576729 [2,0,0,0,0,0|2,0,0]=4 840 B1R0.1 N#P MCULE-2639766952 [2,0,0,0,0,0|0,1,1]=4 841 B1R0.1 N#[O+] MCULE-9241712465 [2,0,0,0,0,0|1,0,1]=4 842 B1R0.1 NN MCULE-1877427268 [2,0,0,0,0,0|0,0,0]=2 843 B1R0.1 NN MCULE-3450177274 [2,0,0,0,0,0|0,0,0]=2 844 B1R0.1 NN MCULE-4551624625 [2,0,0,0,0,0|0,0,0]=2 845 B1R0.1 NN MCULE-5020139420 [2,0,0,0,0,0|0,0,0]=2 846 B1R0.1 NN MCULE-8417340168 [2,0,0,0,0,0|0,0,0]=2 847 B1R0.1 NO MCULE-3913133443 [2,0,0,0,0,0|1,0,0]=3 848 B1R0.1 NO MCULE-6591509478 [2,0,0,0,0,0|1,0,0]=3 849 B1R0.1 OO MCULE-7159374318 [2,0,0,0,0,0|2,0,0]=4 850 B1R0.1 S=[Se] MCULE-6787169379 [2,0,0,0,0,0|2,0,0]=4 851 B1R0.1 SS MCULE-7607247045 [2,0,0,0,0,0|2,0,0]=4 852 B1R0.1 [NH3+]O MCULE-8258329819 [2,0,0,0,0,0|1,0,1]=4 853 B1R0.1 [NH3+]O MCULE-9305003292 [2,0,0,0,0,0|1,0,1]=4 854 B3R0.2 BN(C)C MCULE-2470964161 [1,1,0,0,0,0|2,0,0]=4 855 B3R0.2 BrC(Br)Br MCULE-3687875829 [1,1,0,0,0,0|2,0,0]=4 856 B3R0.2 C=C(C)Br MCULE-7805530064 [1,1,0,0,0,0|1,0,1]=4 857 B3R0.2 C=C(C)C MCULE-5640095130 [1,1,0,0,0,0|1,0,1]=4 858 B3R0.2 C=C(C)Cl MCULE-1752401095 [1,1,0,0,0,0|1,0,1]=4 859 B3R0.2 C=C(C)F MCULE-3213198231 [1,1,0,0,0,0|1,0,1]=4 860 B3R0.2 C=[N+](C)C MCULE-4450980212 [1,1,0,0,0,0|2,0,0]=4 861 B3R0.2 C=[N+](C)C MCULE-5309464837 [1,1,0,0,0,0|2,0,0]=4 862 B3R0.2 C=[N+](C)C MCULE-9321779445 [1,1,0,0,0,0|2,0,0]=4 863 B3R0.2 CB(O)O MCULE-3510763826 [1,1,0,0,0,0|2,0,0]=4 864 B3R0.2 CC(=N)N MCULE-3235425606 [1,1,0,0,0,0|0,0,1]=3 865 B3R0.2 CC(=N)N MCULE-3546679379 [1,1,0,0,0,0|0,0,1]=3 866 B3R0.2 CC(=N)N MCULE-3597638887 [1,1,0,0,0,0|0,0,1]=3 867 B3R0.2 CC(=N)N MCULE-9831274654 [1,1,0,0,0,0|0,0,1]=3 868 B3R0.2 CC(=O)Br MCULE-4892265063 [1,1,0,0,0,0|1,0,1]=4 869 B3R0.2 CC(=O)C MCULE-6679625040 [1,1,0,0,0,0|1,0,1]=4 870 B3R0.2 CC(=O)Cl MCULE-9041746362 [1,1,0,0,0,0|1,0,1]=4 871 B3R0.2 CC(=O)I MCULE-4812718701 [1,1,0,0,0,0|1,0,1]=4 872 B3R0.2 CC(=O)N MCULE-9280264861 [1,1,0,0,0,0|0,0,1]=3 873 B3R0.2 CC(=O)O MCULE-1502330578 [1,1,0,0,0,0|1,0,1]=4 874 B3R0.2 CC(=O)O MCULE-5514028500 [1,1,0,0,0,0|1,0,1]=4 875 B3R0.2 CC(=O)O MCULE-5942589566 [1,1,0,0,0,0|1,0,1]=4 876 B3R0.2 CC(=O)O MCULE-6780070129 [1,1,0,0,0,0|1,0,1]=4 877 B3R0.2 CC(=O)O MCULE-8295936189 [1,1,0,0,0,0|1,0,1]=4 878 B3R0.2 CC(=O)O MCULE-9103972283 [1,1,0,0,0,0|1,0,1]=4 879 B3R0.2 CC(=O)O MCULE-9900518424 [1,1,0,0,0,0|1,0,1]=4 880 B3R0.2 CC(=O)S MCULE-5769447035 [1,1,0,0,0,0|1,0,1]=4 881 B3R0.2 CC(=O)[O-] MCULE-2314460022 [1,1,0,0,0,0|1,0,1]=4 882 B3R0.2 CC(=O)[O-] MCULE-2960771771 [1,1,0,0,0,0|1,0,1]=4 883 B3R0.2 CC(=O)[O-] MCULE-5334052410 [1,1,0,0,0,0|1,0,1]=4 884 B3R0.2 CC(=O)[O-] MCULE-5482908386 [1,1,0,0,0,0|1,0,1]=4 885 B3R0.2 CC(=O)[O-] MCULE-9723570182 [1,1,0,0,0,0|1,0,1]=4 886 B3R0.2 CC(=O)[O-] MCULE-9910426896 [1,1,0,0,0,0|1,0,1]=4 887 B3R0.2 CC(=S)N MCULE-4635097605 [1,1,0,0,0,0|0,0,1]=3 888 B3R0.2 CC(=S)[O-] MCULE-1878530758 [1,1,0,0,0,0|1,0,1]=4 889 B3R0.2 CC(Br)Br MCULE-3156450089 [1,1,0,0,0,0|1,0,0]=3 890 B3R0.2 CC(C)Br MCULE-4068304617 [1,1,0,0,0,0|1,0,0]=3 891 B3R0.2 CC(C)C MCULE-6616676274 [1,1,0,0,0,0|1,0,0]=3 892 B3R0.2 CC(C)Cl MCULE-3190141598 [1,1,0,0,0,0|1,0,0]=3 893 B3R0.2 CC(C)F MCULE-5333357055 [1,1,0,0,0,0|1,0,0]=3 894 B3R0.2 CC(C)I MCULE-6151711033 [1,1,0,0,0,0|1,0,0]=3 895 B3R0.2 CC(C)N MCULE-1048799006 [1,1,0,0,0,0|0,0,0]=2 896 B3R0.2 CC(C)N MCULE-1125416142 [1,1,0,0,0,0|0,0,0]=2 897 B3R0.2 CC(C)N MCULE-2418429353 [1,1,0,0,0,0|0,0,0]=2 898 B3R0.2 CC(C)N MCULE-7280647435 [1,1,0,0,0,0|0,0,0]=2 899 B3R0.2 CC(C)O MCULE-6646752234 [1,1,0,0,0,0|1,0,0]=3 900 B3R0.2 CC(C)S MCULE-8283942088 [1,1,0,0,0,0|1,0,0]=3 901 B3R0.2 CC(Cl)Br MCULE-6166388747 [1,1,0,0,0,0|1,0,0]=3 902 B3R0.2 CC(Cl)Cl MCULE-2444543893 [1,1,0,0,0,0|1,0,0]=3 903 B3R0.2 CC(F)Cl MCULE-1350283946 [1,1,0,0,0,0|1,0,0]=3 904 B3R0.2 CC(F)F MCULE-1642052461 [1,1,0,0,0,0|1,0,0]=3 905 B3R0.2 CN(=O)=O MCULE-8704524604 [1,1,0,0,0,0|2,0,0]=4 906 B3R0.2 CN(C)C MCULE-5179437979 [1,1,0,0,0,0|2,0,0]=4 907 B3R0.2 CN(C)C MCULE-6816696733 [1,1,0,0,0,0|2,0,0]=4 908 B3R0.2 CN(C)C MCULE-7903544426 [1,1,0,0,0,0|2,0,0]=4 909 B3R0.2 CN(C)N MCULE-7177216911 [1,1,0,0,0,0|1,0,0]=3 910 B3R0.2 CN(C)N MCULE-8775366011 [1,1,0,0,0,0|1,0,0]=3 911 B3R0.2 CN(C)O MCULE-6572915706 [1,1,0,0,0,0|2,0,0]=4 912 B3R0.2 CN(C)O MCULE-6950647562 [1,1,0,0,0,0|2,0,0]=4 913 B3R0.2 CP(=O)C MCULE-6150886622 [1,1,0,0,0,0|2,0,0]=4 914 B3R0.2 CP(C)C MCULE-6703190251 [1,1,0,0,0,0|2,0,0]=4 915 B3R0.2 CS(=O)C MCULE-2005841258 [1,1,0,0,0,0|2,0,0]=4 916 B3R0.2 CS(=O)Cl MCULE-1292201352 [1,1,0,0,0,0|2,0,0]=4 917 B3R0.2 CS(=O)N MCULE-5162949591 [1,1,0,0,0,0|1,0,0]=3 918 B3R0.2 CS(=O)O MCULE-8711306710 [1,1,0,0,0,0|2,0,0]=4 919 B3R0.2 CS(=O)[O-] MCULE-1437194827 [1,1,0,0,0,0|2,0,0]=4 920 B3R0.2 C[Ga](C)C MCULE-6013775603 [1,1,0,0,0,0|2,0,0]=4 921 B3R0.2 C[In](C)C MCULE-1424187192 [1,1,0,0,0,0|2,0,0]=4 922 B3R0.2 C[O+](C)C MCULE-2925451414 [1,1,0,0,0,0|2,0,0]=4 923 B3R0.2 C[S+](C)Br MCULE-2734391695 [1,1,0,0,0,0|2,0,0]=4 924 B3R0.2 C[S+](C)Br MCULE-6411921824 [1,1,0,0,0,0|2,0,0]=4 925 B3R0.2 C[S+](C)C MCULE-5867625832 [1,1,0,0,0,0|2,0,0]=4 926 B3R0.2 C[S+](C)C MCULE-7678314643 [1,1,0,0,0,0|2,0,0]=4 927 B3R0.2 C[S+](C)C MCULE-8005905986 [1,1,0,0,0,0|2,0,0]=4 928 B3R0.2 C[Se](=O)C MCULE-4596040471 [1,1,0,0,0,0|2,0,0]=4 929 B3R0.2 C[Se](=O)O MCULE-5568767851 [1,1,0,0,0,0|2,0,0]=4 930 B3R0.2 ClC(Br)Br MCULE-7315486856 [1,1,0,0,0,0|2,0,0]=4 931 B3R0.2 ClC(Cl)Br MCULE-9404631495 [1,1,0,0,0,0|2,0,0]=4 932 B3R0.2 ClC(Cl)Cl MCULE-5607930311 [1,1,0,0,0,0|2,0,0]=4 933 B3R0.2 ClC(Cl)I MCULE-9232888477 [1,1,0,0,0,0|2,0,0]=4 934 B3R0.2 FC(Br)Br MCULE-4574077227 [1,1,0,0,0,0|2,0,0]=4 935 B3R0.2 FC(F)I MCULE-6704020444 [1,1,0,0,0,0|2,0,0]=4 936 B3R0.2 IC(I)I MCULE-5976787287 [1,1,0,0,0,0|2,0,0]=4 937 B3R0.2 N=C(N)Cl MCULE-4764134011 [1,1,0,0,0,0|0,0,2]=4 938 B3R0.2 N=C(N)Cl MCULE-7852054677 [1,1,0,0,0,0|0,0,2]=4 939 B3R0.2 N=C(N)N MCULE-1152750770 [1,1,0,0,0,0|0,0,1]=3 940 B3R0.2 N=C(N)N MCULE-1411566696 [1,1,0,0,0,0|0,0,1]=3 941 B3R0.2 N=C(N)N MCULE-4266731066 [1,1,0,0,0,0|0,0,1]=3 942 B3R0.2 N=C(N)N MCULE-5921771392 [1,1,0,0,0,0|0,0,1]=3 943 B3R0.2 N=C(N)N MCULE-6036914599 [1,1,0,0,0,0|0,0,1]=3 944 B3R0.2 N=C(N)N MCULE-6164013415 [1,1,0,0,0,0|0,0,1]=3 945 B3R0.2 N=C(N)N MCULE-9649225484 [1,1,0,0,0,0|0,0,1]=3 946 B3R0.2 NC(=O)N MCULE-3224868954 [1,1,0,0,0,0|0,0,1]=3 947 B3R0.2 NC(=O)N MCULE-8513891094 [1,1,0,0,0,0|0,0,1]=3 948 B3R0.2 NC(=O)O MCULE-1579038047 [1,1,0,0,0,0|1,0,1]=4 949 B3R0.2 NC(=O)O MCULE-3232812015 [1,1,0,0,0,0|1,0,1]=4 950 B3R0.2 NC(=S)N MCULE-5046264236 [1,1,0,0,0,0|0,0,1]=3 951 B3R0.2 NC(=S)S MCULE-6182511253 [1,1,0,0,0,0|1,0,1]=4 952 B3R0.2 NC(=S)[S-] MCULE-1680327465 [1,1,0,0,0,0|1,0,1]=4 953 B3R0.2 NC(=[Se])N MCULE-3936244532 [1,1,0,0,0,0|0,0,1]=3 954 B5R0.1 C#CCC(C)C MCULE-2506063278 [0,2,0,0,0,0|2,0,0]=4 955 B5R0.1 C#CCC(C)N MCULE-1523044787 [0,2,0,0,0,0|1,0,0]=3 956 B5R0.1 C#CCC(C)N MCULE-3399522488 [0,2,0,0,0,0|1,0,0]=3 957 B5R0.1 C#CCC(C)O MCULE-2487589857 [0,2,0,0,0,0|2,0,0]=4 958 B5R0.1 C#CCN(C)C MCULE-1589925874 [0,2,0,0,0,0|1,0,1]=4 959 B5R0.1 C(C)(N)CCC MCULE-4800297905 [0,2,0,0,0,0|1,0,0]=3 960 B5R0.1 C(C)(N)CCC MCULE-7674864567 [0,2,0,0,0,0|1,0,0]=3 961 B5R0.1 C(C)(N)CCO MCULE-5545469271 [0,2,0,0,0,0|1,0,0]=3 962 B5R0.1 C/C(=C/CN)/Cl MCULE-1091573118 [0,2,0,0,0,0|1,0,1]=4 963 B5R0.1 C/C(=C/CN)/Cl MCULE-8112023611 [0,2,0,0,0,0|1,0,1]=4 964 B5R0.1 C=C(Br)CCBr MCULE-7638627279 [0,2,0,0,0,0|2,0,0]=4 965 B5R0.1 C=C(Br)CCO MCULE-3743908958 [0,2,0,0,0,0|2,0,0]=4 966 B5R0.1 C=C(C)CCBr MCULE-3439794005 [0,2,0,0,0,0|2,0,0]=4 967 B5R0.1 C=C(C)CCC MCULE-8225129744 [0,2,0,0,0,0|2,0,0]=4 968 B5R0.1 C=C(C)CCCl MCULE-2816016781 [0,2,0,0,0,0|2,0,0]=4 969 B5R0.1 C=C(C)CCI MCULE-6317205481 [0,2,0,0,0,0|2,0,0]=4 970 B5R0.1 C=C(C)CCN MCULE-4037025602 [0,2,0,0,0,0|1,0,0]=3 971 B5R0.1 C=C(C)CCN MCULE-5001503744 [0,2,0,0,0,0|1,0,0]=3 972 B5R0.1 C=C(C)CCO MCULE-2689800711 [0,2,0,0,0,0|2,0,0]=4 973 B5R0.1 C=C(C)CNC MCULE-6783886553 [0,2,0,0,0,0|1,0,1]=4 974 B5R0.1 C=C(C)CNC MCULE-8292313282 [0,2,0,0,0,0|1,0,1]=4 975 B5R0.1 C=C(C)CNN MCULE-1117931770 [0,2,0,0,0,0|1,0,1]=4 976 B5R0.1 C=C(C)CON MCULE-2773974323 [0,2,0,0,0,0|1,0,1]=4 977 B5R0.1 C=C(C)CON MCULE-5978680243 [0,2,0,0,0,0|1,0,1]=4 978 B5R0.1 C=CCC(=N)N MCULE-6305125234 [0,2,0,0,0,0|1,0,1]=4 979 B5R0.1 C=CCC(=O)N MCULE-1205335257 [0,2,0,0,0,0|1,0,1]=4 980 B5R0.1 C=CCC(C)Br MCULE-5638987302 [0,2,0,0,0,0|2,0,0]=4 981 B5R0.1 C=CCC(C)C MCULE-4586731422 [0,2,0,0,0,0|2,0,0]=4 982 B5R0.1 C=CCC(C)N MCULE-5354228552 [0,2,0,0,0,0|1,0,0]=3 983 B5R0.1 C=CCC(C)N MCULE-9454660067 [0,2,0,0,0,0|1,0,0]=3 984 B5R0.1 C=CCC(C)O MCULE-7724200334 [0,2,0,0,0,0|2,0,0]=4 985 B5R0.1 C=CCC(C)O MCULE-9910771503 [0,2,0,0,0,0|2,0,0]=4 986 B5R0.1 C=CCN(C)C MCULE-6958853335 [0,2,0,0,0,0|1,0,1]=4 987 B5R0.1 C=CC[C@@H](C)O MCULE-1663575568 [0,2,0,0,0,0|2,0,0]=4 988 B5R0.1 C=CC[C@@H](C)O MCULE-3971480179 [0,2,0,0,0,0|2,0,0]=4 989 B5R0.1 C=CC[C@H](C)N MCULE-2398654329 [0,2,0,0,0,0|1,0,0]=3 990 B5R0.1 C=CC[C@H](C)N MCULE-5817451810 [0,2,0,0,0,0|1,0,0]=3 991 B5R0.1 C=CC[C@H](C)O MCULE-5783959808 [0,2,0,0,0,0|2,0,0]=4 992 B5R0.1 C=CC[C@H](C)O MCULE-6146696600 [0,2,0,0,0,0|2,0,0]=4 993 B5R0.1 C=NCC(=O)N MCULE-7609497329 [0,2,0,0,0,0|0,0,2]=4 994 B5R0.1 C=NCC(=S)N MCULE-6261527142 [0,2,0,0,0,0|0,0,2]=4 995 B5R0.1 CC(=CCN)C MCULE-7220252581 [0,2,0,0,0,0|1,0,1]=4 996 B5R0.1 CC(=CCN)C MCULE-8394581250 [0,2,0,0,0,0|1,0,1]=4 997 B5R0.1 CC(=CCN)Cl MCULE-1749173363 [0,2,0,0,0,0|1,0,1]=4 998 B5R0.1 CC(=CCN)Cl MCULE-5722512850 [0,2,0,0,0,0|1,0,1]=4 999 B5R0.1 CC(=O)CCBr MCULE-2615300206 [0,2,0,0,0,0|2,0,0]=4 1000 B5R0.1 CC(=O)CCCl MCULE-8019748964 [0,2,0,0,0,0|2,0,0]=4 1001 B5R0.1 CC(=O)CCN MCULE-7550348751 [0,2,0,0,0,0|1,0,0]=3 1002 B5R0.1 CC(=O)CCN MCULE-9519063810 [0,2,0,0,0,0|1,0,0]=3 1003 B5R0.1 CC(=O)CCO MCULE-6328537335 [0,2,0,0,0,0|2,0,0]=4 1004 B5R0.1 CC(Br)CC#N MCULE-6321379216 [0,2,0,0,0,0|1,0,1]=4 1005 B5R0.1 CC(Br)CCBr MCULE-1045475402 [0,2,0,0,0,0|2,0,0]=4 1006 B5R0.1 CC(C)CC#N MCULE-4346986727 [0,2,0,0,0,0|1,0,1]=4 1007 B5R0.1 CC(C)CC=O MCULE-2939497534 [0,2,0,0,0,0|2,0,0]=4 1008 B5R0.1 CC(C)CCBr MCULE-7163010428 [0,2,0,0,0,0|2,0,0]=4 1009 B5R0.1 CC(C)CCCl MCULE-8360122696 [0,2,0,0,0,0|2,0,0]=4 1010 B5R0.1 CC(C)CCCl MCULE-9017922949 [0,2,0,0,0,0|2,0,0]=4 1011 B5R0.1 CC(C)CCI MCULE-4934529500 [0,2,0,0,0,0|2,0,0]=4 1012 B5R0.1 CC(C)CCN MCULE-3081003576 [0,2,0,0,0,0|1,0,0]=3 1013 B5R0.1 CC(C)CCN MCULE-5118782389 [0,2,0,0,0,0|1,0,0]=3 1014 B5R0.1 CC(C)CCN MCULE-5217981670 [0,2,0,0,0,0|1,0,0]=3 1015 B5R0.1 CC(C)CCN MCULE-6280940933 [0,2,0,0,0,0|1,0,0]=3 1016 B5R0.1 CC(C)CCO MCULE-7411270401 [0,2,0,0,0,0|2,0,0]=4 1017 B5R0.1 CC(C)CCS MCULE-7115473363 [0,2,0,0,0,0|2,0,0]=4 1018 B5R0.1 CC(C)CNN MCULE-6797887001 [0,2,0,0,0,0|1,0,0]=3 1019 B5R0.1 CC(C)CNN MCULE-9592971233 [0,2,0,0,0,0|1,0,0]=3 1020 B5R0.1 CC(C)CNN MCULE-9725792452 [0,2,0,0,0,0|1,0,0]=3 1021 B5R0.1 CC(C)CON MCULE-3476786246 [0,2,0,0,0,0|1,0,0]=3 1022 B5R0.1 CC(C)CON MCULE-4450654727 [0,2,0,0,0,0|1,0,0]=3 1023 B5R0.1 CC(C)OCCl MCULE-3680602217 [0,2,0,0,0,0|2,0,0]=4 1024 B5R0.1 CC(C)SCCl MCULE-3836735379 [0,2,0,0,0,0|2,0,0]=4 1025 B5R0.1 CC(Cl)CCCl MCULE-3656498608 [0,2,0,0,0,0|2,0,0]=4 1026 B5R0.1 CC(Cl)CCO MCULE-1955496242 [0,2,0,0,0,0|2,0,0]=4 1027 B5R0.1 CC(F)CCBr MCULE-3035340901 [0,2,0,0,0,0|2,0,0]=4 1028 B5R0.1 CC(F)CCI MCULE-6469250150 [0,2,0,0,0,0|2,0,0]=4 1029 B5R0.1 CC(F)CCN MCULE-2805813131 [0,2,0,0,0,0|1,0,0]=3 1030 B5R0.1 CC(F)CCN MCULE-5849913362 [0,2,0,0,0,0|1,0,0]=3 1031 B5R0.1 CC(N)CC#N MCULE-2350352782 [0,2,0,0,0,0|0,0,1]=3 1032 B5R0.1 CC(N)CC#N MCULE-7269201059 [0,2,0,0,0,0|0,0,1]=3 1033 B5R0.1 CC(N)CCN MCULE-5308134596 [0,2,0,0,0,0|0,0,0]=2 1034 B5R0.1 CC(N)CCN MCULE-5880045507 [0,2,0,0,0,0|0,0,0]=2 1035 B5R0.1 CC(N)CCN MCULE-7827515430 [0,2,0,0,0,0|0,0,0]=2 1036 B5R0.1 CC(N)CCO MCULE-1771399942 [0,2,0,0,0,0|1,0,0]=3 1037 B5R0.1 CC(N)CCO MCULE-7239872808 [0,2,0,0,0,0|1,0,0]=3 1038 B5R0.1 CC(O)CC#N MCULE-7172428142 [0,2,0,0,0,0|1,0,1]=4 1039 B5R0.1 CC(O)CCBr MCULE-7983169885 [0,2,0,0,0,0|2,0,0]=4 1040 B5R0.1 CC(O)CCCl MCULE-2952545606 [0,2,0,0,0,0|2,0,0]=4 1041 B5R0.1 CC(O)CCN MCULE-6836791276 [0,2,0,0,0,0|1,0,0]=3 1042 B5R0.1 CC(O)CCN MCULE-7186260925 [0,2,0,0,0,0|1,0,0]=3 1043 B5R0.1 CC(O)CCO MCULE-1694239851 [0,2,0,0,0,0|2,0,0]=4 1044 B5R0.1 CC(O)CCO MCULE-7784884948 [0,2,0,0,0,0|2,0,0]=4 1045 B5R0.1 CC(O)CNN MCULE-4956670781 [0,2,0,0,0,0|1,0,0]=3 1046 B5R0.1 CC(O)CNN MCULE-7917439573 [0,2,0,0,0,0|1,0,0]=3 1047 B5R0.1 CC(O)CON MCULE-1051091134 [0,2,0,0,0,0|1,0,0]=3 1048 B5R0.1 CC(O)CON MCULE-6722092589 [0,2,0,0,0,0|1,0,0]=3 1049 B5R0.1 CC(S)CCO MCULE-5702212503 [0,2,0,0,0,0|2,0,0]=4 1050 B5R0.1 CCCB(O)O MCULE-4994980798 [0,2,0,0,0,0|2,0,0]=4 1051 B5R0.1 CCCC(=N)N MCULE-5974105638 [0,2,0,0,0,0|1,0,0]=3 1052 B5R0.1 CCCC(=N)N MCULE-9230704591 [0,2,0,0,0,0|1,0,0]=3 1053 B5R0.1 CCCC(=O)C MCULE-7174095676 [0,2,0,0,0,0|2,0,0]=4 1054 B5R0.1 CCCC(=O)Cl MCULE-3288175193 [0,2,0,0,0,0|2,0,0]=4 1055 B5R0.1 CCCC(=O)N MCULE-2712067671 [0,2,0,0,0,0|1,0,0]=3 1056 B5R0.1 CCCC(=O)O MCULE-4116382006 [0,2,0,0,0,0|2,0,0]=4 1057 B5R0.1 CCCC(=O)[O-] MCULE-8706538802 [0,2,0,0,0,0|2,0,0]=4 1058 B5R0.1 CCCC(=O)[O-] MCULE-9764702574 [0,2,0,0,0,0|2,0,0]=4 1059 B5R0.1 CCCC(=S)N MCULE-3529335988 [0,2,0,0,0,0|1,0,0]=3 1060 B5R0.1 CCCC(=S)O MCULE-3382199964 [0,2,0,0,0,0|2,0,0]=4 1061 B5R0.1 CCCC(C)Br MCULE-3178073667 [0,2,0,0,0,0|2,0,0]=4 1062 B5R0.1 CCCC(C)C MCULE-9604552974 [0,2,0,0,0,0|2,0,0]=4 1063 B5R0.1 CCCC(C)N MCULE-2640298430 [0,2,0,0,0,0|1,0,0]=3 1064 B5R0.1 CCCC(C)N MCULE-7225905167 [0,2,0,0,0,0|1,0,0]=3 1065 B5R0.1 CCCC(C)O MCULE-8205906299 [0,2,0,0,0,0|2,0,0]=4 1066 B5R0.1 CCCC(C)S MCULE-1649095713 [0,2,0,0,0,0|2,0,0]=4 1067 B5R0.1 CCCC(O)Cl MCULE-3188577082 [0,2,0,0,0,0|2,0,0]=4 1068 B5R0.1 CCCN(=O)=O MCULE-5615753372 [0,2,0,0,0,0|1,0,1]=4 1069 B5R0.1 CCCN(C)C MCULE-8702643596 [0,2,0,0,0,0|1,0,0]=3 1070 B5R0.1 CCCS(=O)[O-] MCULE-4306915022 [0,2,0,0,0,0|2,0,0]=4 1071 B5R0.1 CCCS(=O)[O-] MCULE-9775151913 [0,2,0,0,0,0|2,0,0]=4 1072 B5R0.1 CCC[C@@H](C)N MCULE-2394536966 [0,2,0,0,0,0|1,0,0]=3 1073 B5R0.1 CCC[C@@H](C)N MCULE-3008898216 [0,2,0,0,0,0|1,0,0]=3 1074 B5R0.1 CCC[C@@H](C)N MCULE-5656861143 [0,2,0,0,0,0|1,0,0]=3 1075 B5R0.1 CCC[C@@H](C)N MCULE-8113159645 [0,2,0,0,0,0|1,0,0]=3 1076 B5R0.1 CCC[C@@H](C)O MCULE-1540573875 [0,2,0,0,0,0|2,0,0]=4 1077 B5R0.1 CCC[C@H](C)N MCULE-2068574015 [0,2,0,0,0,0|1,0,0]=3 1078 B5R0.1 CCC[C@H](C)N MCULE-3439133019 [0,2,0,0,0,0|1,0,0]=3 1079 B5R0.1 CCC[C@H](C)N MCULE-5495177657 [0,2,0,0,0,0|1,0,0]=3 1080 B5R0.1 CCC[C@H](C)N MCULE-7962028651 [0,2,0,0,0,0|1,0,0]=3 1081 B5R0.1 CCC[C@H](C)O MCULE-6976816276 [0,2,0,0,0,0|2,0,0]=4 1082 B5R0.1 CCNC(=N)N MCULE-4729418155 [0,2,0,0,0,0|1,0,1]=4 1083 B5R0.1 CCNC(=N)N MCULE-5123343071 [0,2,0,0,0,0|1,0,1]=4 1084 B5R0.1 CCNC(=O)N MCULE-1913599861 [0,2,0,0,0,0|1,0,1]=4 1085 B5R0.1 CCNC(=S)N MCULE-3849517146 [0,2,0,0,0,0|1,0,1]=4 1086 B5R0.1 CCNC(C)C MCULE-8064118469 [0,2,0,0,0,0|2,0,0]=4 1087 B5R0.1 CCOC(=N)N MCULE-3570858508 [0,2,0,0,0,0|1,0,1]=4 1088 B5R0.1 CCOC(=N)N MCULE-6061063856 [0,2,0,0,0,0|1,0,1]=4 1089 B5R0.1 CCOC(=O)N MCULE-1776877276 [0,2,0,0,0,0|1,0,1]=4 1090 B5R0.1 CCOC(=S)N MCULE-4649285010 [0,2,0,0,0,0|1,0,1]=4 1091 B5R0.1 CCOC(C)C MCULE-1934548340 [0,2,0,0,0,0|2,0,0]=4 1092 B5R0.1 CCOC(C)Cl MCULE-8486994638 [0,2,0,0,0,0|2,0,0]=4 1093 B5R0.1 CCSC(=N)N MCULE-2161729152 [0,2,0,0,0,0|1,0,1]=4 1094 B5R0.1 CCSC(=N)N MCULE-2547252984 [0,2,0,0,0,0|1,0,1]=4 1095 B5R0.1 CCSC(C)C MCULE-3738251898 [0,2,0,0,0,0|2,0,0]=4 1096 B5R0.1 CC[NH2+]C(=N)N MCULE-1701852752 [0,2,0,0,0,0|1,0,1]=4 1097 B5R0.1 CC[O+]=C(N)N MCULE-2484225131 [0,2,0,0,0,0|1,0,1]=4 1098 B5R0.1 CC[O+]=C(N)N MCULE-6688774534 [0,2,0,0,0,0|1,0,1]=4 1099 B5R0.1 CN(C)CC#N MCULE-7617361185 [0,2,0,0,0,0|0,0,2]=4 1100 B5R0.1 CN(C)CC=O MCULE-1229218563 [0,2,0,0,0,0|1,0,1]=4 1101 B5R0.1 CN(C)CC=O MCULE-3577561950 [0,2,0,0,0,0|1,0,1]=4 1102 B5R0.1 CN(C)CC=O MCULE-4493766862 [0,2,0,0,0,0|1,0,1]=4 1103 B5R0.1 CN(C)CC=O MCULE-8123455398 [0,2,0,0,0,0|1,0,1]=4 1104 B5R0.1 CN(C)CCBr MCULE-4844398053 [0,2,0,0,0,0|1,0,0]=3 1105 B5R0.1 CN(C)CCCl MCULE-4297554717 [0,2,0,0,0,0|1,0,0]=3 1106 B5R0.1 CN(C)CCCl MCULE-4465544992 [0,2,0,0,0,0|1,0,0]=3 1107 B5R0.1 CN(C)CCI MCULE-4687894526 [0,2,0,0,0,0|1,0,0]=3 1108 B5R0.1 CN(C)CCI MCULE-7464680246 [0,2,0,0,0,0|1,0,0]=3 1109 B5R0.1 CN(C)CCI MCULE-9051868668 [0,2,0,0,0,0|1,0,0]=3 1110 B5R0.1 CN(C)CCN MCULE-6693759372 [0,2,0,0,0,0|0,0,0]=2 1111 B5R0.1 CN(C)CCN MCULE-6929925748 [0,2,0,0,0,0|0,0,0]=2 1112 B5R0.1 CN(C)CCN MCULE-7881547574 [0,2,0,0,0,0|0,0,0]=2 1113 B5R0.1 CN(C)CCO MCULE-5715813465 [0,2,0,0,0,0|1,0,0]=3 1114 B5R0.1 CN(C)CCO MCULE-7567469160 [0,2,0,0,0,0|1,0,0]=3 1115 B5R0.1 CN(C)CCO MCULE-9024108074 [0,2,0,0,0,0|1,0,0]=3 1116 B5R0.1 CN(C)CCS MCULE-4356815596 [0,2,0,0,0,0|1,0,0]=3 1117 B5R0.1 CN(C)CCS MCULE-4611688723 [0,2,0,0,0,0|1,0,0]=3 1118 B5R0.1 CN(C)CCS MCULE-6259585517 [0,2,0,0,0,0|1,0,0]=3 1119 B5R0.1 CN(N)CCN MCULE-2782966878 [0,2,0,0,0,0|0,0,0]=2 1120 B5R0.1 CNCC(=O)C MCULE-3695443024 [0,2,0,0,0,0|1,0,1]=4 1121 B5R0.1 CNCC(=O)C MCULE-7402723072 [0,2,0,0,0,0|1,0,1]=4 1122 B5R0.1 CNCC(=O)N MCULE-2328887394 [0,2,0,0,0,0|0,0,1]=3 1123 B5R0.1 CNCC(=O)N MCULE-3031605853 [0,2,0,0,0,0|0,0,1]=3 1124 B5R0.1 CNCC(=O)N MCULE-7300977677 [0,2,0,0,0,0|0,0,1]=3 1125 B5R0.1 CNCC(=O)O MCULE-3448356048 [0,2,0,0,0,0|1,0,1]=4 1126 B5R0.1 CNCC(=O)O MCULE-4484444573 [0,2,0,0,0,0|1,0,1]=4 1127 B5R0.1 CNCC(=O)[O-] MCULE-7993701866 [0,2,0,0,0,0|1,0,1]=4 1128 B5R0.1 CNCC(C)C MCULE-6582386339 [0,2,0,0,0,0|1,0,0]=3 1129 B5R0.1 CNCC(C)C MCULE-6856717783 [0,2,0,0,0,0|1,0,0]=3 1130 B5R0.1 CNCC(C)F MCULE-4381138647 [0,2,0,0,0,0|1,0,0]=3 1131 B5R0.1 CNCC(C)F MCULE-9018181183 [0,2,0,0,0,0|1,0,0]=3 1132 B5R0.1 CNCC(C)O MCULE-3671071529 [0,2,0,0,0,0|1,0,0]=3 1133 B5R0.1 CNCC(C)O MCULE-4171705304 [0,2,0,0,0,0|1,0,0]=3 1134 B5R0.1 CNCC(Cl)Cl MCULE-1176483469 [0,2,0,0,0,0|1,0,0]=3 1135 B5R0.1 CNCC(Cl)Cl MCULE-8474434261 [0,2,0,0,0,0|1,0,0]=3 1136 B5R0.1 CNCC(F)F MCULE-3004221847 [0,2,0,0,0,0|1,0,0]=3 1137 B5R0.1 CNCC(F)F MCULE-5997956111 [0,2,0,0,0,0|1,0,0]=3 1138 B5R0.1 CNC[C@@H](C)O MCULE-2953164520 [0,2,0,0,0,0|1,0,0]=3 1139 B5R0.1 CNC[C@@H](C)O MCULE-3161721140 [0,2,0,0,0,0|1,0,0]=3 1140 B5R0.1 CNC[C@@H](C)O MCULE-6218150837 [0,2,0,0,0,0|1,0,0]=3 1141 B5R0.1 CNC[C@@H](C)O MCULE-8245274547 [0,2,0,0,0,0|1,0,0]=3 1142 B5R0.1 CNC[C@H](C)O MCULE-2655303492 [0,2,0,0,0,0|1,0,0]=3 1143 B5R0.1 CNC[C@H](C)O MCULE-7346940457 [0,2,0,0,0,0|1,0,0]=3 1144 B5R0.1 CNNC(=S)N MCULE-5838387497 [0,2,0,0,0,0|1,0,1]=4 1145 B5R0.1 COCC(=N)N MCULE-4711728356 [0,2,0,0,0,0|1,0,1]=4 1146 B5R0.1 COCC(=N)N MCULE-7163250467 [0,2,0,0,0,0|1,0,1]=4 1147 B5R0.1 COCC(=O)N MCULE-6674958132 [0,2,0,0,0,0|1,0,1]=4 1148 B5R0.1 COCC(=S)N MCULE-2046809269 [0,2,0,0,0,0|1,0,1]=4 1149 B5R0.1 COCC(C)Br MCULE-6850689931 [0,2,0,0,0,0|2,0,0]=4 1150 B5R0.1 COCC(C)I MCULE-8608265714 [0,2,0,0,0,0|2,0,0]=4 1151 B5R0.1 COCC(C)N MCULE-1896873634 [0,2,0,0,0,0|1,0,0]=3 1152 B5R0.1 COCC(C)N MCULE-2549420211 [0,2,0,0,0,0|1,0,0]=3 1153 B5R0.1 COCC(C)N MCULE-3490410444 [0,2,0,0,0,0|1,0,0]=3 1154 B5R0.1 COCC(C)N MCULE-7089888882 [0,2,0,0,0,0|1,0,0]=3 1155 B5R0.1 COCC(C)O MCULE-4022733014 [0,2,0,0,0,0|2,0,0]=4 1156 B5R0.1 COCC(C)O MCULE-7513310960 [0,2,0,0,0,0|2,0,0]=4 1157 B5R0.1 COCN(C)C MCULE-1963225930 [0,2,0,0,0,0|2,0,0]=4 1158 B5R0.1 COC[C@@H](C)N MCULE-1225912236 [0,2,0,0,0,0|1,0,0]=3 1159 B5R0.1 COC[C@@H](C)N MCULE-2754628271 [0,2,0,0,0,0|1,0,0]=3 1160 B5R0.1 COC[C@@H](C)N MCULE-4676764915 [0,2,0,0,0,0|1,0,0]=3 1161 B5R0.1 COC[C@@H](C)N MCULE-8891950737 [0,2,0,0,0,0|1,0,0]=3 1162 B5R0.1 COC[C@@H](C)O MCULE-6287552520 [0,2,0,0,0,0|2,0,0]=4 1163 B5R0.1 COC[C@@H](C)O MCULE-7942118801 [0,2,0,0,0,0|2,0,0]=4 1164 B5R0.1 COC[C@H](C)N MCULE-2465679418 [0,2,0,0,0,0|1,0,0]=3 1165 B5R0.1 COC[C@H](C)N MCULE-2998593539 [0,2,0,0,0,0|1,0,0]=3 1166 B5R0.1 COC[C@H](C)N MCULE-3161045661 [0,2,0,0,0,0|1,0,0]=3 1167 B5R0.1 COC[C@H](C)N MCULE-9550165578 [0,2,0,0,0,0|1,0,0]=3 1168 B5R0.1 COC[C@H](C)O MCULE-5908531683 [0,2,0,0,0,0|2,0,0]=4 1169 B5R0.1 COC[C@H](C)O MCULE-8619138238 [0,2,0,0,0,0|2,0,0]=4 1170 B5R0.1 CS(=O)CCBr MCULE-7846126230 [0,2,0,0,0,0|2,0,0]=4 1171 B5R0.1 CS(=O)CCCl MCULE-7012781505 [0,2,0,0,0,0|2,0,0]=4 1172 B5R0.1 CS(=O)CCN MCULE-6497874560 [0,2,0,0,0,0|1,0,0]=3 1173 B5R0.1 CS(=O)CCN MCULE-8275663766 [0,2,0,0,0,0|1,0,0]=3 1174 B5R0.1 CS(=O)CCN MCULE-8330490290 [0,2,0,0,0,0|1,0,0]=3 1175 B5R0.1 CS(=O)CCO MCULE-8331553582 [0,2,0,0,0,0|2,0,0]=4 1176 B5R0.1 CSCC(=N)N MCULE-7800929509 [0,2,0,0,0,0|1,0,1]=4 1177 B5R0.1 CSCC(=N)N MCULE-8499985777 [0,2,0,0,0,0|1,0,1]=4 1178 B5R0.1 CSCC(=O)N MCULE-4865579476 [0,2,0,0,0,0|1,0,1]=4 1179 B5R0.1 CSCC(=S)N MCULE-5029100305 [0,2,0,0,0,0|1,0,1]=4 1180 B5R0.1 CSCC(C)N MCULE-7985946030 [0,2,0,0,0,0|1,0,0]=3 1181 B5R0.1 CSCC(C)O MCULE-2227652351 [0,2,0,0,0,0|2,0,0]=4 1182 B5R0.1 CSCN(C)C MCULE-2931143051 [0,2,0,0,0,0|2,0,0]=4 1183 B5R0.1 C[C@@H](N)CC#N MCULE-1923686728 [0,2,0,0,0,0|0,0,1]=3 1184 B5R0.1 C[C@@H](N)CC#N MCULE-5694530830 [0,2,0,0,0,0|0,0,1]=3 1185 B5R0.1 C[C@@H](N)CC#N MCULE-8880445785 [0,2,0,0,0,0|0,0,1]=3 1186 B5R0.1 C[C@@H](N)CC#N MCULE-9410509782 [0,2,0,0,0,0|0,0,1]=3 1187 B5R0.1 C[C@@H](N)CCO MCULE-4224878672 [0,2,0,0,0,0|1,0,0]=3 1188 B5R0.1 C[C@@H](N)CCO MCULE-5727539473 [0,2,0,0,0,0|1,0,0]=3 1189 B5R0.1 C[C@@H](O)CC#N MCULE-2879004464 [0,2,0,0,0,0|1,0,1]=4 1190 B5R0.1 C[C@@H](O)CCN MCULE-7588849994 [0,2,0,0,0,0|1,0,0]=3 1191 B5R0.1 C[C@@H](O)CCN MCULE-7895006310 [0,2,0,0,0,0|1,0,0]=3 1192 B5R0.1 C[C@@H](O)CCN MCULE-9071323255 [0,2,0,0,0,0|1,0,0]=3 1193 B5R0.1 C[C@@H](O)CCN MCULE-9627550610 [0,2,0,0,0,0|1,0,0]=3 1194 B5R0.1 C[C@@H](O)CCO MCULE-6277947442 [0,2,0,0,0,0|2,0,0]=4 1195 B5R0.1 C[C@@H](O)CCO MCULE-9742368348 [0,2,0,0,0,0|2,0,0]=4 1196 B5R0.1 C[C@@H](O)CON MCULE-3740397343 [0,2,0,0,0,0|1,0,0]=3 1197 B5R0.1 C[C@@H](O)CON MCULE-8274376872 [0,2,0,0,0,0|1,0,0]=3 1198 B5R0.1 C[C@H](N)CC#N MCULE-1876010727 [0,2,0,0,0,0|0,0,1]=3 1199 B5R0.1 C[C@H](N)CC#N MCULE-6927344020 [0,2,0,0,0,0|0,0,1]=3 1200 B5R0.1 C[C@H](N)CC#N MCULE-9082410813 [0,2,0,0,0,0|0,0,1]=3 1201 B5R0.1 C[C@H](N)CC#N MCULE-9498047771 [0,2,0,0,0,0|0,0,1]=3 1202 B5R0.1 C[C@H](N)CCO MCULE-1496375567 [0,2,0,0,0,0|1,0,0]=3 1203 B5R0.1 C[C@H](N)CCO MCULE-4744824708 [0,2,0,0,0,0|1,0,0]=3 1204 B5R0.1 C[C@H](N)CCO MCULE-7219173683 [0,2,0,0,0,0|1,0,0]=3 1205 B5R0.1 C[C@H](N)CCO MCULE-9164942837 [0,2,0,0,0,0|1,0,0]=3 1206 B5R0.1 C[C@H](O)CC#N MCULE-1968982761 [0,2,0,0,0,0|1,0,1]=4 1207 B5R0.1 C[C@H](O)CCN MCULE-7570743309 [0,2,0,0,0,0|1,0,0]=3 1208 B5R0.1 C[C@H](O)CCN MCULE-9428853702 [0,2,0,0,0,0|1,0,0]=3 1209 B5R0.1 C[C@H](O)CCO MCULE-2504912618 [0,2,0,0,0,0|2,0,0]=4 1210 B5R0.1 C[C@H](O)CCO MCULE-2958119786 [0,2,0,0,0,0|2,0,0]=4 1211 B5R0.1 C[C@H](O)CON MCULE-4216605221 [0,2,0,0,0,0|1,0,0]=3 1212 B5R0.1 C[C@H](O)CON MCULE-9863094719 [0,2,0,0,0,0|1,0,0]=3 1213 B5R0.1 C[NH+](C)CCBr MCULE-4990293495 [0,2,0,0,0,0|1,0,1]=4 1214 B5R0.1 C[S+](C)CCCl MCULE-1305595131 [0,2,0,0,0,0|2,0,0]=4 1215 B5R0.1 C[S+](C)CCCl MCULE-9761617787 [0,2,0,0,0,0|2,0,0]=4 1216 B5R0.1 C[S@@](=O)CCO MCULE-4485824334 [0,2,0,0,0,0|2,0,0]=4 1217 B5R0.1 N#CCC(=O)N MCULE-8538286230 [0,2,0,0,0,0|0,0,2]=4 1218 B5R0.1 N#CCC(=S)N MCULE-6348216099 [0,2,0,0,0,0|0,0,2]=4 1219 B5R0.1 N#CCC(=[Se])N MCULE-7730610345 [0,2,0,0,0,0|0,0,2]=4 1220 B5R0.1 N=C(N)CCCl MCULE-2314996365 [0,2,0,0,0,0|1,0,0]=3 1221 B5R0.1 N=C(N)CCCl MCULE-3129838313 [0,2,0,0,0,0|1,0,0]=3 1222 B5R0.1 N=C(N)CCO MCULE-4567824707 [0,2,0,0,0,0|1,0,0]=3 1223 B5R0.1 N=C(N)CCO MCULE-7139693715 [0,2,0,0,0,0|1,0,0]=3 1224 B5R0.1 NC(=O)CCBr MCULE-3930714776 [0,2,0,0,0,0|1,0,0]=3 1225 B5R0.1 NC(=O)CCCl MCULE-8300320959 [0,2,0,0,0,0|1,0,0]=3 1226 B5R0.1 NC(=O)CCO MCULE-4026170350 [0,2,0,0,0,0|1,0,0]=3 1227 B5R0.1 NC(=O)CCS MCULE-7451827717 [0,2,0,0,0,0|1,0,0]=3 1228 B5R0.1 NC(=O)NCO MCULE-7403641101 [0,2,0,0,0,0|1,0,1]=4 1229 B5R0.1 NCC=C(Cl)Cl MCULE-6555955942 [0,2,0,0,0,0|1,0,1]=4 1230 B5R0.1 NCC=C(Cl)Cl MCULE-9019653665 [0,2,0,0,0,0|1,0,1]=4 1231 B5R0.1 NCCC(=O)Cl MCULE-1298355499 [0,2,0,0,0,0|1,0,0]=3 1232 B5R0.1 NCCC(=O)N MCULE-2899414135 [0,2,0,0,0,0|0,0,0]=2 1233 B5R0.1 NCCC(=O)N MCULE-6993286668 [0,2,0,0,0,0|0,0,0]=2 1234 B5R0.1 NCCC(=O)O MCULE-1344289084 [0,2,0,0,0,0|1,0,0]=3 1235 B5R0.1 NCCC(=O)O MCULE-2298605337 [0,2,0,0,0,0|1,0,0]=3 1236 B5R0.1 NCCC(=O)O MCULE-9375577631 [0,2,0,0,0,0|1,0,0]=3 1237 B5R0.1 NCCC(=O)[O-] MCULE-2492250086 [0,2,0,0,0,0|1,0,0]=3 1238 B5R0.1 NCCC(F)F MCULE-3610134573 [0,2,0,0,0,0|1,0,0]=3 1239 B5R0.1 NCCC(F)F MCULE-5561095460 [0,2,0,0,0,0|1,0,0]=3 1240 B5R0.1 NCCN(=O)=O MCULE-8137427440 [0,2,0,0,0,0|0,0,1]=3 1241 B5R0.1 NCCP(=O)O MCULE-7093964616 [0,2,0,0,0,0|0,1,0]=3 1242 B5R0.1 NCCS(=O)O MCULE-4372248641 [0,2,0,0,0,0|1,0,0]=3 1243 B5R0.1 NNCC(=O)N MCULE-2794619708 [0,2,0,0,0,0|0,0,1]=3 1244 B5R0.1 NNCC(=O)N MCULE-6773156087 [0,2,0,0,0,0|0,0,1]=3 1245 B5R0.1 NNCC(=O)O MCULE-4908184724 [0,2,0,0,0,0|1,0,1]=4 1246 B5R0.1 NNCC(=O)O MCULE-6315598774 [0,2,0,0,0,0|1,0,1]=4 1247 B5R0.1 NNCC(F)F MCULE-4290590143 [0,2,0,0,0,0|1,0,0]=3 1248 B5R0.1 NNCC(F)F MCULE-8397473173 [0,2,0,0,0,0|1,0,0]=3 1249 B5R0.1 NOCC(=O)O MCULE-4566186819 [0,2,0,0,0,0|1,0,1]=4 1250 B5R0.1 NOCC(=O)O MCULE-4824237418 [0,2,0,0,0,0|1,0,1]=4 1251 B5R0.1 NOCC(=O)O MCULE-8132180423 [0,2,0,0,0,0|1,0,1]=4 1252 B5R0.1 NOCC(F)F MCULE-1860693804 [0,2,0,0,0,0|1,0,0]=3 1253 B5R0.1 NOCC(F)F MCULE-2698080780 [0,2,0,0,0,0|1,0,0]=3 1254 B5R0.1 O=C(Cl)CCBr MCULE-4659506608 [0,2,0,0,0,0|2,0,0]=4 1255 B5R0.1 O=C(Cl)CCCl MCULE-3313924878 [0,2,0,0,0,0|2,0,0]=4 1256 B5R0.1 O=C(Cl)CCF MCULE-3316397790 [0,2,0,0,0,0|2,0,0]=4 1257 B5R0.1 O=C(O)CCBr MCULE-2816055853 [0,2,0,0,0,0|2,0,0]=4 1258 B5R0.1 O=C(O)CCCl MCULE-8511144183 [0,2,0,0,0,0|2,0,0]=4 1259 B5R0.1 O=C(O)CCF MCULE-4382025684 [0,2,0,0,0,0|2,0,0]=4 1260 B5R0.1 O=C(O)CCI MCULE-3371354708 [0,2,0,0,0,0|2,0,0]=4 1261 B5R0.1 O=C(O)CCO MCULE-3428604829 [0,2,0,0,0,0|2,0,0]=4 1262 B5R0.1 O=C(O)CCS MCULE-3211932163 [0,2,0,0,0,0|2,0,0]=4 1263 B5R0.1 O=C(O)CNO MCULE-4437067339 [0,2,0,0,0,0|1,0,1]=4 1264 B5R0.1 O=C([O-])CCO MCULE-4429611588 [0,2,0,0,0,0|2,0,0]=4 1265 B5R0.1 O=N(=O)CCO MCULE-2060841405 [0,2,0,0,0,0|1,0,1]=4 1266 B5R0.1 O=N(=O)CCS MCULE-4845430658 [0,2,0,0,0,0|1,0,1]=4 1267 B5R0.1 OCCC(F)F MCULE-9207688926 [0,2,0,0,0,0|2,0,0]=4 1268 B5R0.1 [C@@H](C)(O)CCC MCULE-9717120293 [0,2,0,0,0,0|2,0,0]=4 1269 B5R0.1 [C@@H](C)(O)CNC MCULE-2044067921 [0,2,0,0,0,0|1,0,0]=3 1270 B5R0.1 [C@H](C)(O)CC#N MCULE-6894178072 [0,2,0,0,0,0|1,0,1]=4 1271 B5R0.1 [C@H](C)(O)CCC MCULE-2689023898 [0,2,0,0,0,0|2,0,0]=4 1272 B5R0.3 BrCC(Br)CBr MCULE-7323713039 [0,2,0,0,0,0|2,0,0]=4 1273 B5R0.3 C#CC(C)NC MCULE-6738130869 [0,2,0,0,0,0|1,0,1]=4 1274 B5R0.3 C#CC(N)CC MCULE-2327605941 [0,2,0,0,0,0|1,0,0]=3 1275 B5R0.3 C#CC(N)CC MCULE-3572771620 [0,2,0,0,0,0|1,0,0]=3 1276 B5R0.3 C#CC(N)CO MCULE-2442851523 [0,2,0,0,0,0|1,0,0]=3 1277 B5R0.3 C#CC(N)CO MCULE-3866086926 [0,2,0,0,0,0|1,0,0]=3 1278 B5R0.3 C#CC(O)CC MCULE-9890863731 [0,2,0,0,0,0|2,0,0]=4 1279 B5R0.3 C#C[C@H](N)CO MCULE-2312982984 [0,2,0,0,0,0|1,0,0]=3 1280 B5R0.3 C#C[C@H](N)CO MCULE-8124038281 [0,2,0,0,0,0|1,0,0]=3 1281 B5R0.3 C#C[C@H](N)CO MCULE-8753140181 [0,2,0,0,0,0|1,0,0]=3 1282 B5R0.3 C#C[C@H](N)CO MCULE-9874393436 [0,2,0,0,0,0|1,0,0]=3 1283 B5R0.3 C=C(CBr)CBr MCULE-2855078657 [0,2,0,0,0,0|2,0,0]=4 1284 B5R0.3 C=C(CC)CBr MCULE-1652422688 [0,2,0,0,0,0|2,0,0]=4 1285 B5R0.3 C=C(CC)CC MCULE-9174509622 [0,2,0,0,0,0|2,0,0]=4 1286 B5R0.3 C=C(CC)CN MCULE-2269385026 [0,2,0,0,0,0|1,0,0]=3 1287 B5R0.3 C=C(CC)CN MCULE-3033447984 [0,2,0,0,0,0|1,0,0]=3 1288 B5R0.3 C=C(CC)CO MCULE-8127766352 [0,2,0,0,0,0|2,0,0]=4 1289 B5R0.3 C=C(CCl)CCl MCULE-2574913289 [0,2,0,0,0,0|2,0,0]=4 1290 B5R0.3 C=C(CI)CI MCULE-7592017619 [0,2,0,0,0,0|2,0,0]=4 1291 B5R0.3 C=C(CN)CN MCULE-5063132725 [0,2,0,0,0,0|0,0,0]=2 1292 B5R0.3 C=C(CO)CBr MCULE-9563589949 [0,2,0,0,0,0|2,0,0]=4 1293 B5R0.3 C=C(CO)CO MCULE-2682601949 [0,2,0,0,0,0|2,0,0]=4 1294 B5R0.3 C=CC(C)CC MCULE-8112547661 [0,2,0,0,0,0|2,0,0]=4 1295 B5R0.3 C=CC(C)NC MCULE-1929679074 [0,2,0,0,0,0|1,0,1]=4 1296 B5R0.3 C=CC(C)NC MCULE-6382339452 [0,2,0,0,0,0|1,0,1]=4 1297 B5R0.3 C=CC(C)ON MCULE-2385478473 [0,2,0,0,0,0|1,0,1]=4 1298 B5R0.3 C=CC(C)ON MCULE-3428023923 [0,2,0,0,0,0|1,0,1]=4 1299 B5R0.3 C=CC(Cl)CCl MCULE-8000466907 [0,2,0,0,0,0|2,0,0]=4 1300 B5R0.3 C=CC(N)CC MCULE-6270835453 [0,2,0,0,0,0|1,0,0]=3 1301 B5R0.3 C=CC(N)CC MCULE-7920121163 [0,2,0,0,0,0|1,0,0]=3 1302 B5R0.3 C=CC(N)CO MCULE-2457433196 [0,2,0,0,0,0|1,0,0]=3 1303 B5R0.3 C=CC(N)CO MCULE-6697949182 [0,2,0,0,0,0|1,0,0]=3 1304 B5R0.3 C=CC(N)CO MCULE-7137123222 [0,2,0,0,0,0|1,0,0]=3 1305 B5R0.3 C=CC(N)CO MCULE-8388687355 [0,2,0,0,0,0|1,0,0]=3 1306 B5R0.3 C=CC(O)CBr MCULE-3538023814 [0,2,0,0,0,0|2,0,0]=4 1307 B5R0.3 C=CC(O)CC MCULE-2794806228 [0,2,0,0,0,0|2,0,0]=4 1308 B5R0.3 C=CC(O)CN MCULE-3472823475 [0,2,0,0,0,0|1,0,0]=3 1309 B5R0.3 C=CC(O)CO MCULE-6172654550 [0,2,0,0,0,0|2,0,0]=4 1310 B5R0.3 C=C[C@@H](N)CO MCULE-1000343618 [0,2,0,0,0,0|1,0,0]=3 1311 B5R0.3 C=C[C@@H](N)CO MCULE-1074988940 [0,2,0,0,0,0|1,0,0]=3 1312 B5R0.3 C=C[C@@H](N)CO MCULE-3685491078 [0,2,0,0,0,0|1,0,0]=3 1313 B5R0.3 C=C[C@@H](N)CO MCULE-4969611575 [0,2,0,0,0,0|1,0,0]=3 1314 B5R0.3 C=C[C@@H](O)CO MCULE-5957455616 [0,2,0,0,0,0|2,0,0]=4 1315 B5R0.3 C=C[C@H](N)CO MCULE-2834725512 [0,2,0,0,0,0|1,0,0]=3 1316 B5R0.3 C=C[C@H](N)CO MCULE-3281738311 [0,2,0,0,0,0|1,0,0]=3 1317 B5R0.3 C=C[C@H](N)CO MCULE-3551585090 [0,2,0,0,0,0|1,0,0]=3 1318 B5R0.3 C=C[C@H](N)CO MCULE-9055556349 [0,2,0,0,0,0|1,0,0]=3 1319 B5R0.3 C=C[C@H](O)CO MCULE-6068203844 [0,2,0,0,0,0|2,0,0]=4 1320 B5R0.3 C=C[C@H](O)CO MCULE-9367072182 [0,2,0,0,0,0|2,0,0]=4 1321 B5R0.3 CC(C#N)CCl MCULE-9290621020 [0,2,0,0,0,0|1,0,1]=4 1322 B5R0.3 CC(C#N)CN MCULE-8151367276 [0,2,0,0,0,0|0,0,1]=3 1323 B5R0.3 CC(C#N)CO MCULE-1644391554 [0,2,0,0,0,0|1,0,1]=4 1324 B5R0.3 CC(CBr)CBr MCULE-7586113999 [0,2,0,0,0,0|2,0,0]=4 1325 B5R0.3 CC(CCl)CBr MCULE-5101754687 [0,2,0,0,0,0|2,0,0]=4 1326 B5R0.3 CC(CCl)CCl MCULE-1169456620 [0,2,0,0,0,0|2,0,0]=4 1327 B5R0.3 CC(CI)CI MCULE-4568725580 [0,2,0,0,0,0|2,0,0]=4 1328 B5R0.3 CC(CN)CCl MCULE-2423692318 [0,2,0,0,0,0|1,0,0]=3 1329 B5R0.3 CC(CN)CCl MCULE-8419541212 [0,2,0,0,0,0|1,0,0]=3 1330 B5R0.3 CC(CN)CN MCULE-1464804013 [0,2,0,0,0,0|0,0,0]=2 1331 B5R0.3 CC(CN)CN MCULE-3273307813 [0,2,0,0,0,0|0,0,0]=2 1332 B5R0.3 CC(CN)CO MCULE-5880795484 [0,2,0,0,0,0|1,0,0]=3 1333 B5R0.3 CC(CN)CO MCULE-8083007887 [0,2,0,0,0,0|1,0,0]=3 1334 B5R0.3 CC(CO)CBr MCULE-3815333295 [0,2,0,0,0,0|2,0,0]=4 1335 B5R0.3 CC(CO)CBr MCULE-5695891877 [0,2,0,0,0,0|2,0,0]=4 1336 B5R0.3 CC(CO)CO MCULE-2340730326 [0,2,0,0,0,0|2,0,0]=4 1337 B5R0.3 CC(CO)CS MCULE-1990992504 [0,2,0,0,0,0|2,0,0]=4 1338 B5R0.3 CC(CO)NN MCULE-3362748538 [0,2,0,0,0,0|1,0,0]=3 1339 B5R0.3 CC(CO)NN MCULE-4440318216 [0,2,0,0,0,0|1,0,0]=3 1340 B5R0.3 CC/C(=N/O)/N MCULE-2794748611 [0,2,0,0,0,0|1,0,1]=4 1341 B5R0.3 CC/C(=N/O)/N MCULE-7162577220 [0,2,0,0,0,0|1,0,1]=4 1342 B5R0.3 CCC(=O)CBr MCULE-7825573294 [0,2,0,0,0,0|2,0,0]=4 1343 B5R0.3 CCC(=O)CC MCULE-8236549739 [0,2,0,0,0,0|2,0,0]=4 1344 B5R0.3 CCC(=O)CCl MCULE-9019890380 [0,2,0,0,0,0|2,0,0]=4 1345 B5R0.3 CCC(=O)CN MCULE-1863418812 [0,2,0,0,0,0|1,0,0]=3 1346 B5R0.3 CCC(=O)CN MCULE-5831164340 [0,2,0,0,0,0|1,0,0]=3 1347 B5R0.3 CCC(=O)CO MCULE-8674894820 [0,2,0,0,0,0|2,0,0]=4 1348 B5R0.3 CCC(=O)NC MCULE-5612060170 [0,2,0,0,0,0|1,0,1]=4 1349 B5R0.3 CCC(=O)NN MCULE-1803705917 [0,2,0,0,0,0|1,0,1]=4 1350 B5R0.3 CCC(=O)NO MCULE-1033164448 [0,2,0,0,0,0|1,0,1]=4 1351 B5R0.3 CCC(Br)C#N MCULE-4015907163 [0,2,0,0,0,0|1,0,1]=4 1352 B5R0.3 CCC(Br)C=O MCULE-3064952987 [0,2,0,0,0,0|2,0,0]=4 1353 B5R0.3 CCC(Br)CBr MCULE-5254958560 [0,2,0,0,0,0|2,0,0]=4 1354 B5R0.3 CCC(Br)CC MCULE-7435628721 [0,2,0,0,0,0|2,0,0]=4 1355 B5R0.3 CCC(Br)CO MCULE-7211805716 [0,2,0,0,0,0|2,0,0]=4 1356 B5R0.3 CCC(C)C#N MCULE-6204122967 [0,2,0,0,0,0|1,0,1]=4 1357 B5R0.3 CCC(C)C=O MCULE-2523669899 [0,2,0,0,0,0|2,0,0]=4 1358 B5R0.3 CCC(C)CBr MCULE-5451416952 [0,2,0,0,0,0|2,0,0]=4 1359 B5R0.3 CCC(C)CC MCULE-2542807917 [0,2,0,0,0,0|2,0,0]=4 1360 B5R0.3 CCC(C)CCl MCULE-7450386476 [0,2,0,0,0,0|2,0,0]=4 1361 B5R0.3 CCC(C)CI MCULE-5444509280 [0,2,0,0,0,0|2,0,0]=4 1362 B5R0.3 CCC(C)CN MCULE-2777327284 [0,2,0,0,0,0|1,0,0]=3 1363 B5R0.3 CCC(C)CN MCULE-7014901600 [0,2,0,0,0,0|1,0,0]=3 1364 B5R0.3 CCC(C)CO MCULE-6521026296 [0,2,0,0,0,0|2,0,0]=4 1365 B5R0.3 CCC(C)CS MCULE-7795095685 [0,2,0,0,0,0|2,0,0]=4 1366 B5R0.3 CCC(C)NC MCULE-2676584804 [0,2,0,0,0,0|1,0,0]=3 1367 B5R0.3 CCC(C)NC MCULE-6158046887 [0,2,0,0,0,0|1,0,0]=3 1368 B5R0.3 CCC(C)NN MCULE-6074476998 [0,2,0,0,0,0|1,0,0]=3 1369 B5R0.3 CCC(C)NN MCULE-8130021960 [0,2,0,0,0,0|1,0,0]=3 1370 B5R0.3 CCC(C)NN MCULE-8519369369 [0,2,0,0,0,0|1,0,0]=3 1371 B5R0.3 CCC(C)NO MCULE-1247092627 [0,2,0,0,0,0|1,0,0]=3 1372 B5R0.3 CCC(C)NO MCULE-6169819668 [0,2,0,0,0,0|1,0,0]=3 1373 B5R0.3 CCC(C)OC MCULE-7354431606 [0,2,0,0,0,0|2,0,0]=4 1374 B5R0.3 CCC(C)ON MCULE-2907890438 [0,2,0,0,0,0|1,0,0]=3 1375 B5R0.3 CCC(C)ON MCULE-4364205813 [0,2,0,0,0,0|1,0,0]=3 1376 B5R0.3 CCC(Cl)C#N MCULE-7185233128 [0,2,0,0,0,0|1,0,1]=4 1377 B5R0.3 CCC(Cl)C=O MCULE-5238776091 [0,2,0,0,0,0|2,0,0]=4 1378 B5R0.3 CCC(Cl)CCl MCULE-5122022797 [0,2,0,0,0,0|2,0,0]=4 1379 B5R0.3 CCC(Cl)CO MCULE-1756262629 [0,2,0,0,0,0|2,0,0]=4 1380 B5R0.3 CCC(F)CBr MCULE-3226052264 [0,2,0,0,0,0|2,0,0]=4 1381 B5R0.3 CCC(F)CN MCULE-1291385596 [0,2,0,0,0,0|1,0,0]=3 1382 B5R0.3 CCC(F)CN MCULE-7421331323 [0,2,0,0,0,0|1,0,0]=3 1383 B5R0.3 CCC(I)CC MCULE-1119844552 [0,2,0,0,0,0|2,0,0]=4 1384 B5R0.3 CCC(N)C#N MCULE-1350483203 [0,2,0,0,0,0|1,0,0]=3 1385 B5R0.3 CCC(N)C#N MCULE-3867024162 [0,2,0,0,0,0|1,0,0]=3 1386 B5R0.3 CCC(N)CBr MCULE-3567691924 [0,2,0,0,0,0|1,0,0]=3 1387 B5R0.3 CCC(N)CC MCULE-4261937519 [0,2,0,0,0,0|1,0,0]=3 1388 B5R0.3 CCC(N)CC MCULE-5899128891 [0,2,0,0,0,0|1,0,0]=3 1389 B5R0.3 CCC(N)CN MCULE-6911484065 [0,2,0,0,0,0|0,0,0]=2 1390 B5R0.3 CCC(N)CN MCULE-8376506697 [0,2,0,0,0,0|0,0,0]=2 1391 B5R0.3 CCC(N)CO MCULE-1135809021 [0,2,0,0,0,0|1,0,0]=3 1392 B5R0.3 CCC(N)CO MCULE-7588854111 [0,2,0,0,0,0|1,0,0]=3 1393 B5R0.3 CCC(O)C#N MCULE-5389816542 [0,2,0,0,0,0|1,0,1]=4 1394 B5R0.3 CCC(O)CBr MCULE-4205031860 [0,2,0,0,0,0|2,0,0]=4 1395 B5R0.3 CCC(O)CC MCULE-5553645045 [0,2,0,0,0,0|2,0,0]=4 1396 B5R0.3 CCC(O)CCl MCULE-8359810208 [0,2,0,0,0,0|2,0,0]=4 1397 B5R0.3 CCC(O)CN MCULE-5197026448 [0,2,0,0,0,0|1,0,0]=3 1398 B5R0.3 CCC(O)CO MCULE-2488753438 [0,2,0,0,0,0|2,0,0]=4 1399 B5R0.3 CCC(O)CO MCULE-7297282094 [0,2,0,0,0,0|2,0,0]=4 1400 B5R0.3 CCC(S)CC MCULE-2556259434 [0,2,0,0,0,0|2,0,0]=4 1401 B5R0.3 CCC(S)CS MCULE-9332449950 [0,2,0,0,0,0|2,0,0]=4 1402 B5R0.3 CCC([NH3+])CBr MCULE-6971158198 [0,2,0,0,0,0|1,0,1]=4 1403 B5R0.3 CCN(C)CC MCULE-7207964917 [0,2,0,0,0,0|2,0,0]=4 1404 B5R0.3 CCN(N)CC MCULE-9853386945 [0,2,0,0,0,0|2,0,0]=4 1405 B5R0.3 CCN(N)CC MCULE-9962617398 [0,2,0,0,0,0|2,0,0]=4 1406 B5R0.3 CCN(O)CC MCULE-6022935768 [0,2,0,0,0,0|2,0,0]=4 1407 B5R0.3 CCP(=O)CC MCULE-2216184595 [0,2,0,0,0,0|2,0,0]=4 1408 B5R0.3 CCP(Cl)CC MCULE-4484529264 [0,2,0,0,0,0|2,0,0]=4 1409 B5R0.3 CCS(=O)CC MCULE-5102735179 [0,2,0,0,0,0|2,0,0]=4 1410 B5R0.3 CC[C@@H](C)CBr MCULE-5675886072 [0,2,0,0,0,0|2,0,0]=4 1411 B5R0.3 CC[C@@H](C)CN MCULE-7612408107 [0,2,0,0,0,0|1,0,0]=3 1412 B5R0.3 CC[C@@H](C)CO MCULE-6700783698 [0,2,0,0,0,0|2,0,0]=4 1413 B5R0.3 CC[C@@H](C)CO MCULE-8175790803 [0,2,0,0,0,0|2,0,0]=4 1414 B5R0.3 CC[C@@H](N)C#N MCULE-3696119254 [0,2,0,0,0,0|1,0,0]=3 1415 B5R0.3 CC[C@@H](N)C#N MCULE-5586041766 [0,2,0,0,0,0|1,0,0]=3 1416 B5R0.3 CC[C@@H](N)CO MCULE-3821348404 [0,2,0,0,0,0|1,0,0]=3 1417 B5R0.3 CC[C@@H](N)CO MCULE-7190248306 [0,2,0,0,0,0|1,0,0]=3 1418 B5R0.3 CC[C@@H](O)CN MCULE-2854535153 [0,2,0,0,0,0|1,0,0]=3 1419 B5R0.3 CC[C@@H](O)CN MCULE-8228547956 [0,2,0,0,0,0|1,0,0]=3 1420 B5R0.3 CC[C@@H](O)CO MCULE-3948477298 [0,2,0,0,0,0|2,0,0]=4 1421 B5R0.3 CC[C@@H](O)CO MCULE-5098109795 [0,2,0,0,0,0|2,0,0]=4 1422 B5R0.3 CC[C@H](C)C#N MCULE-9118306872 [0,2,0,0,0,0|1,0,1]=4 1423 B5R0.3 CC[C@H](C)CBr MCULE-3263714447 [0,2,0,0,0,0|2,0,0]=4 1424 B5R0.3 CC[C@H](C)CBr MCULE-3384648570 [0,2,0,0,0,0|2,0,0]=4 1425 B5R0.3 CC[C@H](C)CCl MCULE-6795758745 [0,2,0,0,0,0|2,0,0]=4 1426 B5R0.3 CC[C@H](C)CCl MCULE-8147276830 [0,2,0,0,0,0|2,0,0]=4 1427 B5R0.3 CC[C@H](C)CI MCULE-9690776923 [0,2,0,0,0,0|2,0,0]=4 1428 B5R0.3 CC[C@H](C)CN MCULE-1380819951 [0,2,0,0,0,0|1,0,0]=3 1429 B5R0.3 CC[C@H](C)CN MCULE-1396096112 [0,2,0,0,0,0|1,0,0]=3 1430 B5R0.3 CC[C@H](C)CN MCULE-2971933862 [0,2,0,0,0,0|1,0,0]=3 1431 B5R0.3 CC[C@H](C)CN MCULE-3698084674 [0,2,0,0,0,0|1,0,0]=3 1432 B5R0.3 CC[C@H](C)CO MCULE-1493424061 [0,2,0,0,0,0|2,0,0]=4 1433 B5R0.3 CC[C@H](C)CO MCULE-6879443668 [0,2,0,0,0,0|2,0,0]=4 1434 B5R0.3 CC[C@H](N)C#N MCULE-4431283179 [0,2,0,0,0,0|1,0,0]=3 1435 B5R0.3 CC[C@H](N)C#N MCULE-8842235277 [0,2,0,0,0,0|1,0,0]=3 1436 B5R0.3 CC[C@H](N)CF MCULE-3646304583 [0,2,0,0,0,0|1,0,0]=3 1437 B5R0.3 CC[C@H](N)CF MCULE-4493834638 [0,2,0,0,0,0|1,0,0]=3 1438 B5R0.3 CC[C@H](N)CO MCULE-5500083870 [0,2,0,0,0,0|1,0,0]=3 1439 B5R0.3 CC[C@H](N)CO MCULE-6312512384 [0,2,0,0,0,0|1,0,0]=3 1440 B5R0.3 CC[C@H](O)CN MCULE-4385930741 [0,2,0,0,0,0|1,0,0]=3 1441 B5R0.3 CC[C@H](O)CO MCULE-2194264642 [0,2,0,0,0,0|2,0,0]=4 1442 B5R0.3 CC[C@H](O)CO MCULE-5503575962 [0,2,0,0,0,0|2,0,0]=4 1443 B5R0.3 CNC(=N)CO MCULE-3239749882 [0,2,0,0,0,0|1,0,1]=4 1444 B5R0.3 CNC(=N)NN MCULE-4836793349 [0,2,0,0,0,0|1,0,1]=4 1445 B5R0.3 CNC(=N)NN MCULE-5998297944 [0,2,0,0,0,0|1,0,1]=4 1446 B5R0.3 CNC(=O)CBr MCULE-1439209307 [0,2,0,0,0,0|1,0,1]=4 1447 B5R0.3 CNC(=O)CCl MCULE-1437904095 [0,2,0,0,0,0|1,0,1]=4 1448 B5R0.3 CNC(=O)CI MCULE-1687694185 [0,2,0,0,0,0|1,0,1]=4 1449 B5R0.3 CNC(=O)CN MCULE-1901033297 [0,2,0,0,0,0|0,0,1]=3 1450 B5R0.3 CNC(=O)CN MCULE-8532774234 [0,2,0,0,0,0|0,0,1]=3 1451 B5R0.3 CNC(=O)CO MCULE-5899226107 [0,2,0,0,0,0|1,0,1]=4 1452 B5R0.3 CNC(=O)CS MCULE-7032391129 [0,2,0,0,0,0|1,0,1]=4 1453 B5R0.3 CNC(=O)NN MCULE-2093843774 [0,2,0,0,0,0|1,0,1]=4 1454 B5R0.3 CNC(=S)NN MCULE-3762018607 [0,2,0,0,0,0|1,0,1]=4 1455 B5R0.3 CNC(C)C#N MCULE-6126262950 [0,2,0,0,0,0|0,0,2]=4 1456 B5R0.3 CNC(C)C#N MCULE-8508083404 [0,2,0,0,0,0|0,0,2]=4 1457 B5R0.3 CNC(C)CN MCULE-1599162912 [0,2,0,0,0,0|0,0,0]=2 1458 B5R0.3 CNC(C)CN MCULE-1637391260 [0,2,0,0,0,0|0,0,0]=2 1459 B5R0.3 CNC(C)CO MCULE-3841057780 [0,2,0,0,0,0|1,0,0]=3 1460 B5R0.3 CNC(C)CO MCULE-6474892275 [0,2,0,0,0,0|1,0,0]=3 1461 B5R0.3 CN[C@@H](C)CO MCULE-1633741835 [0,2,0,0,0,0|1,0,0]=3 1462 B5R0.3 CN[C@@H](C)CO MCULE-6736108875 [0,2,0,0,0,0|1,0,0]=3 1463 B5R0.3 CN[C@@H](C)CO MCULE-7554801630 [0,2,0,0,0,0|1,0,0]=3 1464 B5R0.3 CN[C@@H](C)CO MCULE-9312521497 [0,2,0,0,0,0|1,0,0]=3 1465 B5R0.3 CN[C@H](C)CO MCULE-2402322400 [0,2,0,0,0,0|1,0,0]=3 1466 B5R0.3 CN[C@H](C)CO MCULE-4362091386 [0,2,0,0,0,0|1,0,0]=3 1467 B5R0.3 CN[C@H](C)CO MCULE-5426855707 [0,2,0,0,0,0|1,0,0]=3 1468 B5R0.3 CN[C@H](C)CO MCULE-9777995604 [0,2,0,0,0,0|1,0,0]=3 1469 B5R0.3 COC(=O)CN MCULE-7462799100 [0,2,0,0,0,0|1,0,1]=4 1470 B5R0.3 COC(=O)CN MCULE-8887061469 [0,2,0,0,0,0|1,0,1]=4 1471 B5R0.3 COC(C)CBr MCULE-6831960550 [0,2,0,0,0,0|2,0,0]=4 1472 B5R0.3 COC(C)CCl MCULE-6614968111 [0,2,0,0,0,0|2,0,0]=4 1473 B5R0.3 COC(C)CI MCULE-9561627722 [0,2,0,0,0,0|2,0,0]=4 1474 B5R0.3 COC(C)CN MCULE-1378513525 [0,2,0,0,0,0|1,0,0]=3 1475 B5R0.3 COC(C)CN MCULE-6114730248 [0,2,0,0,0,0|1,0,0]=3 1476 B5R0.3 COC(C)CN MCULE-7516064224 [0,2,0,0,0,0|1,0,0]=3 1477 B5R0.3 COC(C)CN MCULE-8277408054 [0,2,0,0,0,0|1,0,0]=3 1478 B5R0.3 COC(C)CO MCULE-5269990702 [0,2,0,0,0,0|2,0,0]=4 1479 B5R0.3 COC(C)CO MCULE-7173093332 [0,2,0,0,0,0|2,0,0]=4 1480 B5R0.3 CO[C@@H](C)CN MCULE-1448950160 [0,2,0,0,0,0|1,0,0]=3 1481 B5R0.3 CO[C@@H](C)CN MCULE-3784073249 [0,2,0,0,0,0|1,0,0]=3 1482 B5R0.3 CO[C@@H](C)CN MCULE-6073633931 [0,2,0,0,0,0|1,0,0]=3 1483 B5R0.3 CO[C@@H](C)CN MCULE-9516756218 [0,2,0,0,0,0|1,0,0]=3 1484 B5R0.3 CO[C@@H](C)CO MCULE-5600457791 [0,2,0,0,0,0|2,0,0]=4 1485 B5R0.3 CO[C@@H](C)CO MCULE-7981152382 [0,2,0,0,0,0|2,0,0]=4 1486 B5R0.3 CO[C@H](C)CN MCULE-4143562009 [0,2,0,0,0,0|1,0,0]=3 1487 B5R0.3 CO[C@H](C)CN MCULE-4184510827 [0,2,0,0,0,0|1,0,0]=3 1488 B5R0.3 CO[C@H](C)CN MCULE-9625722424 [0,2,0,0,0,0|1,0,0]=3 1489 B5R0.3 CO[C@H](C)CN MCULE-9882567615 [0,2,0,0,0,0|1,0,0]=3 1490 B5R0.3 CO[C@H](C)CO MCULE-4211976708 [0,2,0,0,0,0|2,0,0]=4 1491 B5R0.3 CO[C@H](C)CO MCULE-7592020348 [0,2,0,0,0,0|2,0,0]=4 1492 B5R0.3 CS/C(=N\N)/N MCULE-2245524081 [0,2,0,0,0,0|1,0,1]=4 1493 B5R0.3 CS/C(=N\N)/N MCULE-6241847719 [0,2,0,0,0,0|1,0,1]=4 1494 B5R0.3 CSC(C)CN MCULE-8841622109 [0,2,0,0,0,0|1,0,0]=3 1495 B5R0.3 CSC(C)CO MCULE-4646435737 [0,2,0,0,0,0|2,0,0]=4 1496 B5R0.3 C[C@@H](CN)CO MCULE-4662215148 [0,2,0,0,0,0|1,0,0]=3 1497 B5R0.3 C[C@@H](CN)CO MCULE-7870198689 [0,2,0,0,0,0|1,0,0]=3 1498 B5R0.3 C[C@@H](CO)CBr MCULE-3691541800 [0,2,0,0,0,0|2,0,0]=4 1499 B5R0.3 C[C@@H](CO)CBr MCULE-4447849056 [0,2,0,0,0,0|2,0,0]=4 1500 B5R0.3 C[C@H](CO)CBr MCULE-4031825779 [0,2,0,0,0,0|2,0,0]=4 1501 B5R0.3 C[C@H](CO)CBr MCULE-6846167456 [0,2,0,0,0,0|2,0,0]=4 1502 B5R0.3 ClCC(Br)CBr MCULE-2454576835 [0,2,0,0,0,0|2,0,0]=4 1503 B5R0.3 ClCC(Cl)CCl MCULE-3839333809 [0,2,0,0,0,0|2,0,0]=4 1504 B5R0.3 FCC(Br)CBr MCULE-3296621964 [0,2,0,0,0,0|2,0,0]=4 1505 B5R0.3 FCC(Cl)CF MCULE-6083002482 [0,2,0,0,0,0|2,0,0]=4 1506 B5R0.3 FCC(I)CF MCULE-1837926612 [0,2,0,0,0,0|2,0,0]=4 1507 B5R0.3 N#CC(Br)CBr MCULE-2310311576 [0,2,0,0,0,0|1,0,1]=4 1508 B5R0.3 N#CC(Cl)CCl MCULE-2637194973 [0,2,0,0,0,0|1,0,1]=4 1509 B5R0.3 N#CC(N)C#N MCULE-6095513601 [0,2,0,0,0,0|0,0,2]=4 1510 B5R0.3 N#CC(N)CO MCULE-5918855868 [0,2,0,0,0,0|1,0,0]=3 1511 B5R0.3 N#CC(N)CO MCULE-8439000158 [0,2,0,0,0,0|1,0,0]=3 1512 B5R0.3 N/C(=N/O)/CF MCULE-8149459701 [0,2,0,0,0,0|1,0,1]=4 1513 B5R0.3 N/C(=N/O)/CO MCULE-1684161600 [0,2,0,0,0,0|1,0,1]=4 1514 B5R0.3 N/C(=N\O)/CCl MCULE-4486676288 [0,2,0,0,0,0|1,0,1]=4 1515 B5R0.3 N=C(NN)NN MCULE-6449982700 [0,2,0,0,0,0|1,0,1]=4 1516 B5R0.3 N=C(NN)NN MCULE-8241596253 [0,2,0,0,0,0|1,0,1]=4 1517 B5R0.3 N=C(NN)NO MCULE-6419110297 [0,2,0,0,0,0|1,0,1]=4 1518 B5R0.3 NC(CF)CF MCULE-4671221738 [0,2,0,0,0,0|1,0,0]=3 1519 B5R0.3 NC(CF)CF MCULE-8916274721 [0,2,0,0,0,0|1,0,0]=3 1520 B5R0.3 NC(CO)CF MCULE-3756808200 [0,2,0,0,0,0|1,0,0]=3 1521 B5R0.3 NC(CO)CF MCULE-9468719402 [0,2,0,0,0,0|1,0,0]=3 1522 B5R0.3 NC(CO)CO MCULE-1559988016 [0,2,0,0,0,0|1,0,0]=3 1523 B5R0.3 NC(CO)CO MCULE-4954119952 [0,2,0,0,0,0|1,0,0]=3 1524 B5R0.3 NCC(=O)CN MCULE-2420991481 [0,2,0,0,0,0|0,0,0]=2 1525 B5R0.3 NCC(=O)CN MCULE-8626789745 [0,2,0,0,0,0|0,0,0]=2 1526 B5R0.3 NCC(=O)NN MCULE-2318099199 [0,2,0,0,0,0|0,0,1]=3 1527 B5R0.3 NCC(=O)NN MCULE-3392354502 [0,2,0,0,0,0|0,0,1]=3 1528 B5R0.3 NCC(=O)NO MCULE-5417617455 [0,2,0,0,0,0|0,0,1]=3 1529 B5R0.3 NCC(Br)CBr MCULE-4507622045 [0,2,0,0,0,0|1,0,0]=3 1530 B5R0.3 NCC(Br)CBr MCULE-9707598399 [0,2,0,0,0,0|1,0,0]=3 1531 B5R0.3 NCC(F)CN MCULE-8855486562 [0,2,0,0,0,0|0,0,0]=2 1532 B5R0.3 NCC(F)CO MCULE-6156319956 [0,2,0,0,0,0|1,0,0]=3 1533 B5R0.3 NCC(F)CO MCULE-7472307328 [0,2,0,0,0,0|1,0,0]=3 1534 B5R0.3 NCC(O)CCl MCULE-1566349721 [0,2,0,0,0,0|1,0,0]=3 1535 B5R0.3 NCC(O)CCl MCULE-3532626994 [0,2,0,0,0,0|1,0,0]=3 1536 B5R0.3 NCC(O)CCl MCULE-5045913208 [0,2,0,0,0,0|1,0,0]=3 1537 B5R0.3 NCC(O)CCl MCULE-7168455596 [0,2,0,0,0,0|1,0,0]=3 1538 B5R0.3 NCC(O)CF MCULE-7529777116 [0,2,0,0,0,0|1,0,0]=3 1539 B5R0.3 NCC(O)CF MCULE-8092861019 [0,2,0,0,0,0|1,0,0]=3 1540 B5R0.3 NCC(O)CN MCULE-4689186078 [0,2,0,0,0,0|0,0,0]=2 1541 B5R0.3 NCC(O)CO MCULE-2689763818 [0,2,0,0,0,0|1,0,0]=3 1542 B5R0.3 NCC(O)CO MCULE-6096620010 [0,2,0,0,0,0|1,0,0]=3 1543 B5R0.3 NCC(O)CO MCULE-7307777212 [0,2,0,0,0,0|1,0,0]=3 1544 B5R0.3 NC[C@@H](F)CO MCULE-3273711180 [0,2,0,0,0,0|1,0,0]=3 1545 B5R0.3 NC[C@@H](F)CO MCULE-6673969522 [0,2,0,0,0,0|1,0,0]=3 1546 B5R0.3 NC[C@@H](N)CO MCULE-7333007012 [0,2,0,0,0,0|0,0,0]=2 1547 B5R0.3 NC[C@@H](N)CO MCULE-9200386635 [0,2,0,0,0,0|0,0,0]=2 1548 B5R0.3 NC[C@@H](O)CCl MCULE-1905964392 [0,2,0,0,0,0|1,0,0]=3 1549 B5R0.3 NC[C@@H](O)CCl MCULE-5592096864 [0,2,0,0,0,0|1,0,0]=3 1550 B5R0.3 NC[C@@H](O)CCl MCULE-5723497450 [0,2,0,0,0,0|1,0,0]=3 1551 B5R0.3 NC[C@@H](O)CCl MCULE-7112738263 [0,2,0,0,0,0|1,0,0]=3 1552 B5R0.3 NC[C@@H](O)CO MCULE-7897503444 [0,2,0,0,0,0|1,0,0]=3 1553 B5R0.3 NC[C@@H](O)CO MCULE-8044821624 [0,2,0,0,0,0|1,0,0]=3 1554 B5R0.3 NC[C@@H](O)CO MCULE-9443333756 [0,2,0,0,0,0|1,0,0]=3 1555 B5R0.3 NC[C@H](F)CO MCULE-2595736378 [0,2,0,0,0,0|1,0,0]=3 1556 B5R0.3 NC[C@H](F)CO MCULE-7417074078 [0,2,0,0,0,0|1,0,0]=3 1557 B5R0.3 NC[C@H](F)CO MCULE-7938231499 [0,2,0,0,0,0|1,0,0]=3 1558 B5R0.3 NC[C@H](N)CO MCULE-1060049548 [0,2,0,0,0,0|0,0,0]=2 1559 B5R0.3 NC[C@H](N)CO MCULE-9942356112 [0,2,0,0,0,0|0,0,0]=2 1560 B5R0.3 NC[C@H](O)CBr MCULE-4679771824 [0,2,0,0,0,0|1,0,0]=3 1561 B5R0.3 NC[C@H](O)CBr MCULE-4785059460 [0,2,0,0,0,0|1,0,0]=3 1562 B5R0.3 NC[C@H](O)CCl MCULE-3625478007 [0,2,0,0,0,0|1,0,0]=3 1563 B5R0.3 NC[C@H](O)CCl MCULE-6692503791 [0,2,0,0,0,0|1,0,0]=3 1564 B5R0.3 NC[C@H](O)CO MCULE-5835551322 [0,2,0,0,0,0|1,0,0]=3 1565 B5R0.3 NC[C@H](O)CO MCULE-6021133883 [0,2,0,0,0,0|1,0,0]=3 1566 B5R0.3 NC[C@H](O)CO MCULE-7461568841 [0,2,0,0,0,0|1,0,0]=3 1567 B5R0.3 NC[C@H](O)CO MCULE-8112454132 [0,2,0,0,0,0|1,0,0]=3 1568 B5R0.3 NNC(=O)CCl MCULE-2158347473 [0,2,0,0,0,0|1,0,1]=4 1569 B5R0.3 NNC(=O)CCl MCULE-9762553206 [0,2,0,0,0,0|1,0,1]=4 1570 B5R0.3 NNC(=O)CO MCULE-8443636349 [0,2,0,0,0,0|1,0,1]=4 1571 B5R0.3 NNC(=O)CS MCULE-4913925166 [0,2,0,0,0,0|1,0,1]=4 1572 B5R0.3 NNC(=O)NN MCULE-8522412568 [0,2,0,0,0,0|1,0,1]=4 1573 B5R0.3 NNC(=O)NO MCULE-7106168898 [0,2,0,0,0,0|1,0,1]=4 1574 B5R0.3 NNC(=S)NN MCULE-1599893212 [0,2,0,0,0,0|1,0,1]=4 1575 B5R0.3 N[C@@H](CO)CF MCULE-1103631898 [0,2,0,0,0,0|1,0,0]=3 1576 B5R0.3 N[C@@H](CO)CF MCULE-1137418239 [0,2,0,0,0,0|1,0,0]=3 1577 B5R0.3 N[C@@H](CO)CF MCULE-7452275160 [0,2,0,0,0,0|1,0,0]=3 1578 B5R0.3 N[C@@H](CO)CF MCULE-9154795583 [0,2,0,0,0,0|1,0,0]=3 1579 B5R0.3 N[C@H](CO)CF MCULE-1070351343 [0,2,0,0,0,0|1,0,0]=3 1580 B5R0.3 N[C@H](CO)CF MCULE-4715788718 [0,2,0,0,0,0|1,0,0]=3 1581 B5R0.3 N[C@H](CO)CF MCULE-8220585202 [0,2,0,0,0,0|1,0,0]=3 1582 B5R0.3 N[C@H](CO)CF MCULE-8991857376 [0,2,0,0,0,0|1,0,0]=3 1583 B5R0.3 O=C(CBr)CBr MCULE-5262523719 [0,2,0,0,0,0|2,0,0]=4 1584 B5R0.3 O=C(CCl)CCl MCULE-2048636813 [0,2,0,0,0,0|2,0,0]=4 1585 B5R0.3 O=C(CF)CF MCULE-8790300272 [0,2,0,0,0,0|2,0,0]=4 1586 B5R0.3 O=C(CO)CO MCULE-7188810449 [0,2,0,0,0,0|2,0,0]=4 1587 B5R0.3 O=CC(O)CO MCULE-9581740191 [0,2,0,0,0,0|2,0,0]=4 1588 B5R0.3 O=C[C@@H](O)CO MCULE-3883857491 [0,2,0,0,0,0|2,0,0]=4 1589 B5R0.3 O=C[C@@H](O)CO MCULE-7852783182 [0,2,0,0,0,0|2,0,0]=4 1590 B5R0.3 O=C[C@H](O)CO MCULE-4574984840 [0,2,0,0,0,0|2,0,0]=4 1591 B5R0.3 OC(CBr)CBr MCULE-9071238259 [0,2,0,0,0,0|2,0,0]=4 1592 B5R0.3 OC(CCl)CBr MCULE-3844020597 [0,2,0,0,0,0|2,0,0]=4 1593 B5R0.3 OC(CCl)CCl MCULE-7873018520 [0,2,0,0,0,0|2,0,0]=4 1594 B5R0.3 OC(CCl)CI MCULE-3276637880 [0,2,0,0,0,0|2,0,0]=4 1595 B5R0.3 OC(CF)CBr MCULE-3915880352 [0,2,0,0,0,0|2,0,0]=4 1596 B5R0.3 OC(CF)CCl MCULE-6441743377 [0,2,0,0,0,0|2,0,0]=4 1597 B5R0.3 OC(CF)CF MCULE-3360341794 [0,2,0,0,0,0|2,0,0]=4 1598 B5R0.3 OC(CI)CI MCULE-6842895270 [0,2,0,0,0,0|2,0,0]=4 1599 B5R0.3 OCC(Br)CBr MCULE-9616107956 [0,2,0,0,0,0|2,0,0]=4 1600 B5R0.3 OCC(Br)CO MCULE-9272628834 [0,2,0,0,0,0|2,0,0]=4 1601 B5R0.3 OCC(Cl)CCl MCULE-2120585852 [0,2,0,0,0,0|2,0,0]=4 1602 B5R0.3 OCC(Cl)CO MCULE-7487945326 [0,2,0,0,0,0|2,0,0]=4 1603 B5R0.3 OCC(F)CBr MCULE-2889937576 [0,2,0,0,0,0|2,0,0]=4 1604 B5R0.3 OCC(F)CO MCULE-2970537690 [0,2,0,0,0,0|2,0,0]=4 1605 B5R0.3 OCC(O)CBr MCULE-9116190245 [0,2,0,0,0,0|2,0,0]=4 1606 B5R0.3 OCC(O)CCl MCULE-7895191088 [0,2,0,0,0,0|2,0,0]=4 1607 B5R0.3 OCC(O)CCl MCULE-8992242488 [0,2,0,0,0,0|2,0,0]=4 1608 B5R0.3 OCC(O)CF MCULE-3575952891 [0,2,0,0,0,0|2,0,0]=4 1609 B5R0.3 OCC(O)CF MCULE-8981430411 [0,2,0,0,0,0|2,0,0]=4 1610 B5R0.3 OCC(O)CI MCULE-6705992930 [0,2,0,0,0,0|2,0,0]=4 1611 B5R0.3 OCC(O)CO MCULE-6349111826 [0,2,0,0,0,0|2,0,0]=4 1612 B5R0.3 OCC(O)CS MCULE-6300188207 [0,2,0,0,0,0|2,0,0]=4 1613 B5R0.3 OCC(S)CS MCULE-9735516119 [0,2,0,0,0,0|2,0,0]=4 1614 B5R0.3 OC[C@@H](O)CCl MCULE-1311776512 [0,2,0,0,0,0|2,0,0]=4 1615 B5R0.3 OC[C@@H](O)CCl MCULE-2685107404 [0,2,0,0,0,0|2,0,0]=4 1616 B5R0.3 OC[C@@H](O)CF MCULE-3274443966 [0,2,0,0,0,0|2,0,0]=4 1617 B5R0.3 OC[C@@H](O)CF MCULE-5908395855 [0,2,0,0,0,0|2,0,0]=4 1618 B5R0.3 OC[C@H](O)CBr MCULE-5035020863 [0,2,0,0,0,0|2,0,0]=4 1619 B5R0.3 OC[C@H](O)CCl MCULE-2098232262 [0,2,0,0,0,0|2,0,0]=4 1620 B5R0.3 OC[C@H](O)CCl MCULE-5801605349 [0,2,0,0,0,0|2,0,0]=4 1621 B5R0.3 OC[C@H](O)CF MCULE-3309672397 [0,2,0,0,0,0|2,0,0]=4 1622 B5R0.3 OC[C@H](O)CF MCULE-7695783253 [0,2,0,0,0,0|2,0,0]=4 1623 B5R0.3 O[C@@H](CCl)CI MCULE-5324720097 [0,2,0,0,0,0|2,0,0]=4 1624 B5R0.3 O[C@H](CCl)CI MCULE-2790157830 [0,2,0,0,0,0|2,0,0]=4 1625 B5R0.3 [C@H](O)(CN)CCl MCULE-1220791610 [0,2,0,0,0,0|1,0,0]=3 1626 B5R0.3 [C@H](O)(CN)CCl MCULE-4106901858 [0,2,0,0,0,0|1,0,0]=3 1627 B5R0.3 [NH2+]=C(NN)NN MCULE-1481511174 [0,2,0,0,0,0|1,0,1]=4 1628 B5R0.4 C#CC(C)(C)N MCULE-3908309106 [0,2,0,0,0,0|1,0,1]=4 1629 B5R0.4 C#CC(C)(C)N MCULE-4795277170 [0,2,0,0,0,0|1,0,1]=4 1630 B5R0.4 C=CC(C)(C)N MCULE-2016559865 [0,2,0,0,0,0|1,0,1]=4 1631 B5R0.4 C=CC(C)(C)N MCULE-2690537002 [0,2,0,0,0,0|1,0,1]=4 1632 B5R0.4 CC(C)(Br)CBr MCULE-2393829265 [0,2,0,0,0,0|2,0,0]=4 1633 B5R0.4 CC(C)(Br)CCl MCULE-4498591413 [0,2,0,0,0,0|2,0,0]=4 1634 B5R0.4 CC(C)(Br)CN MCULE-3220115637 [0,2,0,0,0,0|1,0,0]=3 1635 B5R0.4 CC(C)(Br)CN MCULE-3391853433 [0,2,0,0,0,0|1,0,0]=3 1636 B5R0.4 CC(C)(Br)CN MCULE-3819869078 [0,2,0,0,0,0|1,0,0]=3 1637 B5R0.4 CC(C)(Br)CO MCULE-5949221311 [0,2,0,0,0,0|2,0,0]=4 1638 B5R0.4 CC(C)(C)CBr MCULE-7545541733 [0,2,0,0,0,0|2,0,0]=4 1639 B5R0.4 CC(C)(C)CCl MCULE-1595599055 [0,2,0,0,0,0|2,0,0]=4 1640 B5R0.4 CC(C)(C)CI MCULE-6879787789 [0,2,0,0,0,0|2,0,0]=4 1641 B5R0.4 CC(C)(C)CN MCULE-1062894260 [0,2,0,0,0,0|1,0,0]=3 1642 B5R0.4 CC(C)(C)CN MCULE-2736289460 [0,2,0,0,0,0|1,0,0]=3 1643 B5R0.4 CC(C)(C)CN MCULE-5919012916 [0,2,0,0,0,0|1,0,0]=3 1644 B5R0.4 CC(C)(C)CN MCULE-6772338754 [0,2,0,0,0,0|1,0,0]=3 1645 B5R0.4 CC(C)(C)CN MCULE-8882959753 [0,2,0,0,0,0|1,0,0]=3 1646 B5R0.4 CC(C)(C)CO MCULE-4399535684 [0,2,0,0,0,0|2,0,0]=4 1647 B5R0.4 CC(C)(C)CS MCULE-7279455818 [0,2,0,0,0,0|2,0,0]=4 1648 B5R0.4 CC(C)(C)NN MCULE-5464543607 [0,2,0,0,0,0|2,0,0]=4 1649 B5R0.4 CC(C)(C)NN MCULE-7962318499 [0,2,0,0,0,0|2,0,0]=4 1650 B5R0.4 CC(C)(C)ON MCULE-4114810129 [0,2,0,0,0,0|2,0,0]=4 1651 B5R0.4 CC(C)(C)ON MCULE-8439583419 [0,2,0,0,0,0|2,0,0]=4 1652 B5R0.4 CC(C)(Cl)CCl MCULE-3251179033 [0,2,0,0,0,0|2,0,0]=4 1653 B5R0.4 CC(C)(F)CBr MCULE-3412419931 [0,2,0,0,0,0|2,0,0]=4 1654 B5R0.4 CC(C)(F)CI MCULE-8224019070 [0,2,0,0,0,0|2,0,0]=4 1655 B5R0.4 CC(C)(F)CN MCULE-3150098249 [0,2,0,0,0,0|1,0,0]=3 1656 B5R0.4 CC(C)(F)CN MCULE-8647719519 [0,2,0,0,0,0|1,0,0]=3 1657 B5R0.4 CC(C)(F)CO MCULE-1700621997 [0,2,0,0,0,0|2,0,0]=4 1658 B5R0.4 CC(C)(N)C#N MCULE-4837687196 [0,2,0,0,0,0|0,0,2]=4 1659 B5R0.4 CC(C)(N)C#N MCULE-7947575054 [0,2,0,0,0,0|0,0,2]=4 1660 B5R0.4 CC(C)(N)CCl MCULE-2098848089 [0,2,0,0,0,0|1,0,0]=3 1661 B5R0.4 CC(C)(N)CCl MCULE-2847180011 [0,2,0,0,0,0|1,0,0]=3 1662 B5R0.4 CC(C)(N)CF MCULE-3102233948 [0,2,0,0,0,0|1,0,0]=3 1663 B5R0.4 CC(C)(N)CF MCULE-9737357598 [0,2,0,0,0,0|1,0,0]=3 1664 B5R0.4 CC(C)(N)CN MCULE-4218187677 [0,2,0,0,0,0|0,0,0]=2 1665 B5R0.4 CC(C)(N)CN MCULE-6476068080 [0,2,0,0,0,0|0,0,0]=2 1666 B5R0.4 CC(C)(N)CO MCULE-4072416202 [0,2,0,0,0,0|1,0,0]=3 1667 B5R0.4 CC(C)(N)CO MCULE-4209651459 [0,2,0,0,0,0|1,0,0]=3 1668 B5R0.4 CC(C)(N)CO MCULE-6047079177 [0,2,0,0,0,0|1,0,0]=3 1669 B5R0.4 CC(C)(O)CBr MCULE-6366129174 [0,2,0,0,0,0|2,0,0]=4 1670 B5R0.4 CC(C)(O)CCl MCULE-3118028441 [0,2,0,0,0,0|2,0,0]=4 1671 B5R0.4 CC(C)(O)CF MCULE-6616447132 [0,2,0,0,0,0|2,0,0]=4 1672 B5R0.4 CC(C)(O)CI MCULE-5132198363 [0,2,0,0,0,0|2,0,0]=4 1673 B5R0.4 CC(C)(O)CN MCULE-5270413077 [0,2,0,0,0,0|1,0,0]=3 1674 B5R0.4 CC(C)(O)CN MCULE-7438555366 [0,2,0,0,0,0|1,0,0]=3 1675 B5R0.4 CC(C)(O)CO MCULE-6797456030 [0,2,0,0,0,0|2,0,0]=4 1676 B5R0.4 CC(C)(O)CS MCULE-2370088388 [0,2,0,0,0,0|2,0,0]=4 1677 B5R0.4 CC(C)(S)CN MCULE-4256015369 [0,2,0,0,0,0|1,0,0]=3 1678 B5R0.4 CC(C)(S)CN MCULE-8836856580 [0,2,0,0,0,0|1,0,0]=3 1679 B5R0.4 CC(C)(S)CO MCULE-6119329508 [0,2,0,0,0,0|2,0,0]=4 1680 B5R0.4 CC(Cl)(Cl)CCl MCULE-8236164177 [0,2,0,0,0,0|2,0,0]=4 1681 B5R0.4 CC(F)(F)CF MCULE-6634311008 [0,2,0,0,0,0|2,0,0]=4 1682 B5R0.4 CC(F)(F)CN MCULE-5449109500 [0,2,0,0,0,0|1,0,0]=3 1683 B5R0.4 CC(F)(F)CN MCULE-9330314243 [0,2,0,0,0,0|1,0,0]=3 1684 B5R0.4 CC(F)(F)CO MCULE-1049181656 [0,2,0,0,0,0|2,0,0]=4 1685 B5R0.4 CCC(C)(C)Br MCULE-8895489875 [0,2,0,0,0,0|2,0,0]=4 1686 B5R0.4 CCC(C)(C)C MCULE-3388707671 [0,2,0,0,0,0|2,0,0]=4 1687 B5R0.4 CCC(C)(C)Cl MCULE-9597829372 [0,2,0,0,0,0|2,0,0]=4 1688 B5R0.4 CCC(C)(C)I MCULE-3678105747 [0,2,0,0,0,0|2,0,0]=4 1689 B5R0.4 CCC(C)(C)N MCULE-5538333672 [0,2,0,0,0,0|1,0,0]=3 1690 B5R0.4 CCC(C)(C)O MCULE-7894262803 [0,2,0,0,0,0|2,0,0]=4 1691 B5R0.4 CCC(C)(Cl)Cl MCULE-7771494508 [0,2,0,0,0,0|2,0,0]=4 1692 B5R0.4 CCC(C)(F)F MCULE-9944788511 [0,2,0,0,0,0|2,0,0]=4 1693 B5R0.4 CCC(Cl)(Cl)Cl MCULE-2160409083 [0,2,0,0,0,0|2,0,0]=4 1694 B5R0.4 CCC(F)(F)F MCULE-7641898897 [0,2,0,0,0,0|2,0,0]=4 1695 B5R0.4 CCS(=O)(=O)N MCULE-4542844597 [0,2,0,0,0,0|2,0,0]=4 1696 B5R0.4 C[Si](C)(C)CN MCULE-1731145216 [0,2,0,0,0,0|1,1,0]=4 1697 B5R0.4 ClCC(Cl)(Cl)Cl MCULE-4379418128 [0,2,0,0,0,0|2,0,0]=4 1698 B5R0.4 FC(Cl)(Br)CBr MCULE-2746605943 [0,2,0,0,0,0|2,0,0]=4 1699 B5R0.4 FC(Cl)(Cl)CCl MCULE-4902348458 [0,2,0,0,0,0|2,0,0]=4 1700 B5R0.4 FC(F)(Br)CBr MCULE-8812037187 [0,2,0,0,0,0|2,0,0]=4 1701 B5R0.4 FC(F)(Cl)CCl MCULE-6589768011 [0,2,0,0,0,0|2,0,0]=4 1702 B5R0.4 FC(F)(Cl)CI MCULE-4234726158 [0,2,0,0,0,0|2,0,0]=4 1703 B5R0.4 FC(F)(F)CBr MCULE-6055689988 [0,2,0,0,0,0|2,0,0]=4 1704 B5R0.4 FC(F)(F)CI MCULE-6359270012 [0,2,0,0,0,0|2,0,0]=4 1705 B5R0.4 FC(F)(F)CS MCULE-7976771174 [0,2,0,0,0,0|2,0,0]=4 1706 B5R0.4 FCC(F)(Cl)Cl MCULE-6540407018 [0,2,0,0,0,0|2,0,0]=4 1707 B5R0.4 FCC(F)(F)F MCULE-1377600063 [0,2,0,0,0,0|2,0,0]=4 1708 B5R0.4 NCC(Cl)(Cl)Cl MCULE-1247723632 [0,2,0,0,0,0|1,0,0]=3 1709 B5R0.4 NCC(F)(F)Br MCULE-1093541390 [0,2,0,0,0,0|1,0,0]=3 1710 B5R0.4 NCC(F)(F)Br MCULE-4304013482 [0,2,0,0,0,0|1,0,0]=3 1711 B5R0.4 NCC(F)(F)F MCULE-7728009360 [0,2,0,0,0,0|1,0,0]=3 1712 B5R0.4 NCC(F)(F)F MCULE-8741694844 [0,2,0,0,0,0|1,0,0]=3 1713 B5R0.4 NCP(=O)(O)O MCULE-5036947233 [0,2,0,0,0,0|2,0,0]=4 1714 B5R0.4 NCS(=O)(=O)O MCULE-2178285528 [0,2,0,0,0,0|2,0,0]=4 1715 B5R0.4 NC[B-](F)(F)F MCULE-6449045530 [0,2,0,0,0,0|2,0,0]=4 1716 B5R0.4 NC[B-](F)(F)F MCULE-9308962976 [0,2,0,0,0,0|2,0,0]=4 1717 B5R0.4 NS(=O)(=O)CBr MCULE-2367502977 [0,2,0,0,0,0|2,0,0]=4 1718 B5R0.4 NS(=O)(=O)CCl MCULE-5790884246 [0,2,0,0,0,0|2,0,0]=4 1719 B5R0.4 NS(=O)(=O)CF MCULE-4836991088 [0,2,0,0,0,0|2,0,0]=4 1720 B5R0.4 OCC(Br)(Br)Br MCULE-9737115042 [0,2,0,0,0,0|2,0,0]=4 1721 B5R0.4 OCC(Cl)(Cl)Cl MCULE-8316955208 [0,2,0,0,0,0|2,0,0]=4 1722 B5R0.4 OCC(F)(Cl)Cl MCULE-2523125765 [0,2,0,0,0,0|2,0,0]=4 1723 B5R0.4 OCC(F)(F)Br MCULE-8857421613 [0,2,0,0,0,0|2,0,0]=4 1724 B5R0.4 OCC(F)(F)Cl MCULE-2727519309 [0,2,0,0,0,0|2,0,0]=4 1725 B5R0.4 OCC(F)(F)F MCULE-1284939486 [0,2,0,0,0,0|2,0,0]=4 1726 B5R0.4 OCC(F)(F)F MCULE-5503592317 [0,2,0,0,0,0|2,0,0]=4 1727 B5R0.4 [O-]CC(F)(F)F MCULE-4404336932 [0,2,0,0,0,0|2,0,0]=4 1728 B5R0.4 [O-]CC(F)(F)F MCULE-8674487943 [0,2,0,0,0,0|2,0,0]=4 1729 B5R0.5 BrC(Br)C(Br)Br MCULE-8965281409 [0,2,0,0,0,0|2,0,0]=4 1730 B5R0.5 CC(=O)C(C)N MCULE-5716124999 [0,2,0,0,0,0|1,0,1]=4 1731 B5R0.5 CC(=O)C(C)N MCULE-9248002534 [0,2,0,0,0,0|1,0,1]=4 1732 B5R0.5 CC(=O)[C@H](C)N MCULE-2609095078 [0,2,0,0,0,0|1,0,1]=4 1733 B5R0.5 CC(=O)[C@H](C)N MCULE-6039921944 [0,2,0,0,0,0|1,0,1]=4 1734 B5R0.5 CC(=O)[C@H](C)N MCULE-6387613992 [0,2,0,0,0,0|1,0,1]=4 1735 B5R0.5 CC(=O)[C@H](C)N MCULE-7052375323 [0,2,0,0,0,0|1,0,1]=4 1736 B5R0.5 CC(Br)C(=O)N MCULE-9226586148 [0,2,0,0,0,0|1,0,1]=4 1737 B5R0.5 CC(Br)C(C)Br MCULE-8272754345 [0,2,0,0,0,0|2,0,0]=4 1738 B5R0.5 CC(Br)C(Cl)Br MCULE-8471336753 [0,2,0,0,0,0|2,0,0]=4 1739 B5R0.5 CC(Br)C(Cl)Cl MCULE-1643063989 [0,2,0,0,0,0|2,0,0]=4 1740 B5R0.5 CC(C)C(=N)N MCULE-2464075086 [0,2,0,0,0,0|1,0,1]=4 1741 B5R0.5 CC(C)C(=N)N MCULE-6743996580 [0,2,0,0,0,0|1,0,1]=4 1742 B5R0.5 CC(C)C(=O)N MCULE-9773835068 [0,2,0,0,0,0|1,0,1]=4 1743 B5R0.5 CC(C)C(=S)N MCULE-3546856315 [0,2,0,0,0,0|1,0,1]=4 1744 B5R0.5 CC(C)C(C)Br MCULE-8934980523 [0,2,0,0,0,0|2,0,0]=4 1745 B5R0.5 CC(C)C(C)C MCULE-7887644548 [0,2,0,0,0,0|2,0,0]=4 1746 B5R0.5 CC(C)C(C)I MCULE-7528764320 [0,2,0,0,0,0|2,0,0]=4 1747 B5R0.5 CC(C)C(C)N MCULE-1630754475 [0,2,0,0,0,0|1,0,0]=3 1748 B5R0.5 CC(C)C(C)N MCULE-1801901816 [0,2,0,0,0,0|1,0,0]=3 1749 B5R0.5 CC(C)C(C)N MCULE-3544463874 [0,2,0,0,0,0|1,0,0]=3 1750 B5R0.5 CC(C)C(C)N MCULE-4774844065 [0,2,0,0,0,0|1,0,0]=3 1751 B5R0.5 CC(C)C(C)O MCULE-4829392845 [0,2,0,0,0,0|2,0,0]=4 1752 B5R0.5 CC(C)C(C)S MCULE-7489203323 [0,2,0,0,0,0|2,0,0]=4 1753 B5R0.5 CC(C)C(I)I MCULE-6684789578 [0,2,0,0,0,0|2,0,0]=4 1754 B5R0.5 CC(C)S(=O)N MCULE-8425110407 [0,2,0,0,0,0|2,0,0]=4 1755 B5R0.5 CC(C)[C@@H](C)N MCULE-1953734886 [0,2,0,0,0,0|1,0,0]=3 1756 B5R0.5 CC(C)[C@@H](C)N MCULE-3105334197 [0,2,0,0,0,0|1,0,0]=3 1757 B5R0.5 CC(C)[C@@H](C)N MCULE-9470429569 [0,2,0,0,0,0|1,0,0]=3 1758 B5R0.5 CC(C)[C@@H](C)O MCULE-3565458505 [0,2,0,0,0,0|2,0,0]=4 1759 B5R0.5 CC(C)[C@H](C)N MCULE-2859174363 [0,2,0,0,0,0|1,0,0]=3 1760 B5R0.5 CC(C)[C@H](C)N MCULE-3034457659 [0,2,0,0,0,0|1,0,0]=3 1761 B5R0.5 CC(C)[C@H](C)N MCULE-5904658917 [0,2,0,0,0,0|1,0,0]=3 1762 B5R0.5 CC(C)[C@H](C)O MCULE-1553214756 [0,2,0,0,0,0|2,0,0]=4 1763 B5R0.5 CC(C)[C@H](C)O MCULE-8141633445 [0,2,0,0,0,0|2,0,0]=4 1764 B5R0.5 CC(Cl)C(=N)N MCULE-2357555185 [0,2,0,0,0,0|1,0,1]=4 1765 B5R0.5 CC(Cl)C(=N)N MCULE-5302250002 [0,2,0,0,0,0|1,0,1]=4 1766 B5R0.5 CC(Cl)C(=O)N MCULE-5322078211 [0,2,0,0,0,0|1,0,1]=4 1767 B5R0.5 CC(Cl)C(C)Cl MCULE-6954506926 [0,2,0,0,0,0|2,0,0]=4 1768 B5R0.5 CC(Cl)C(Cl)Cl MCULE-1848161215 [0,2,0,0,0,0|2,0,0]=4 1769 B5R0.5 CC(I)C(=O)N MCULE-8608495554 [0,2,0,0,0,0|1,0,1]=4 1770 B5R0.5 CC(N)C(=O)N MCULE-1264398810 [0,2,0,0,0,0|0,0,1]=3 1771 B5R0.5 CC(N)C(=O)N MCULE-2251123672 [0,2,0,0,0,0|0,0,1]=3 1772 B5R0.5 CC(N)C(=O)N MCULE-2273926073 [0,2,0,0,0,0|0,0,1]=3 1773 B5R0.5 CC(N)C(=O)N MCULE-5340923071 [0,2,0,0,0,0|0,0,1]=3 1774 B5R0.5 CC(N)C(=O)N MCULE-6061233032 [0,2,0,0,0,0|0,0,1]=3 1775 B5R0.5 CC(N)C(=O)N MCULE-9273221837 [0,2,0,0,0,0|0,0,1]=3 1776 B5R0.5 CC(N)C(=O)O MCULE-3498369789 [0,2,0,0,0,0|1,0,1]=4 1777 B5R0.5 CC(N)C(=O)O MCULE-3809839392 [0,2,0,0,0,0|1,0,1]=4 1778 B5R0.5 CC(N)C(=O)O MCULE-4751903561 [0,2,0,0,0,0|1,0,1]=4 1779 B5R0.5 CC(N)C(=O)O MCULE-6963397848 [0,2,0,0,0,0|1,0,1]=4 1780 B5R0.5 CC(N)C(C)N MCULE-6724099648 [0,2,0,0,0,0|0,0,0]=2 1781 B5R0.5 CC(N)C(C)O MCULE-3512899672 [0,2,0,0,0,0|1,0,0]=3 1782 B5R0.5 CC(N)C(C)O MCULE-6286987696 [0,2,0,0,0,0|1,0,0]=3 1783 B5R0.5 CC(N)C(F)F MCULE-5449346446 [0,2,0,0,0,0|1,0,0]=3 1784 B5R0.5 CC(O)C(=N)N MCULE-4358846536 [0,2,0,0,0,0|1,0,1]=4 1785 B5R0.5 CC(O)C(=N)N MCULE-5644516205 [0,2,0,0,0,0|1,0,1]=4 1786 B5R0.5 CC(O)C(=O)N MCULE-6247123668 [0,2,0,0,0,0|1,0,1]=4 1787 B5R0.5 CC(O)C(=O)N MCULE-7823792358 [0,2,0,0,0,0|1,0,1]=4 1788 B5R0.5 CC(O)C(C)Br MCULE-1140424623 [0,2,0,0,0,0|2,0,0]=4 1789 B5R0.5 CC(O)C(C)Cl MCULE-3352632568 [0,2,0,0,0,0|2,0,0]=4 1790 B5R0.5 CC(O)C(C)O MCULE-2858785316 [0,2,0,0,0,0|2,0,0]=4 1791 B5R0.5 CC(O)C(C)S MCULE-3741743569 [0,2,0,0,0,0|2,0,0]=4 1792 B5R0.5 CC(O)C(F)F MCULE-1258374037 [0,2,0,0,0,0|2,0,0]=4 1793 B5R0.5 CC(S)C(=O)N MCULE-1465182001 [0,2,0,0,0,0|1,0,1]=4 1794 B5R0.5 CC(S)C(C)S MCULE-3508721208 [0,2,0,0,0,0|2,0,0]=4 1795 B5R0.5 CN(N)C(=O)N MCULE-9114734246 [0,2,0,0,0,0|1,0,1]=4 1796 B5R0.5 CN(N)C(=S)N MCULE-8674598291 [0,2,0,0,0,0|1,0,1]=4 1797 B5R0.5 C[C@@H](F)C(=O)N MCULE-1505685009 [0,2,0,0,0,0|1,0,1]=4 1798 B5R0.5 C[C@@H](N)C(=O)N MCULE-4677983549 [0,2,0,0,0,0|0,0,1]=3 1799 B5R0.5 C[C@@H](N)C(=O)N MCULE-6112443507 [0,2,0,0,0,0|0,0,1]=3 1800 B5R0.5 C[C@@H](N)C(=O)N MCULE-7940270709 [0,2,0,0,0,0|0,0,1]=3 1801 B5R0.5 C[C@@H](N)C(=O)N MCULE-8482332558 [0,2,0,0,0,0|0,0,1]=3 1802 B5R0.5 C[C@@H](N)C(=O)O MCULE-3571488623 [0,2,0,0,0,0|1,0,1]=4 1803 B5R0.5 C[C@@H](N)C(=O)O MCULE-9756365751 [0,2,0,0,0,0|1,0,1]=4 1804 B5R0.5 C[C@@H](N)C(F)F MCULE-3679161461 [0,2,0,0,0,0|1,0,0]=3 1805 B5R0.5 C[C@@H](N)C(F)F MCULE-5068481064 [0,2,0,0,0,0|1,0,0]=3 1806 B5R0.5 C[C@@H](N)[C@@H](C)N MCULE-5194916344 [0,2,0,0,0,0|0,0,0]=2 1807 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-4537991630 [0,2,0,0,0,0|1,0,0]=3 1808 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-5710552020 [0,2,0,0,0,0|1,0,0]=3 1809 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-5951487868 [0,2,0,0,0,0|1,0,0]=3 1810 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-8093543292 [0,2,0,0,0,0|1,0,0]=3 1811 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-8196664475 [0,2,0,0,0,0|1,0,0]=3 1812 B5R0.5 C[C@@H](O)C(=N)N MCULE-1498978023 [0,2,0,0,0,0|1,0,1]=4 1813 B5R0.5 C[C@@H](O)C(=N)N MCULE-6124491136 [0,2,0,0,0,0|1,0,1]=4 1814 B5R0.5 C[C@@H](O)C(=N)N MCULE-7410387081 [0,2,0,0,0,0|1,0,1]=4 1815 B5R0.5 C[C@@H](O)C(=N)N MCULE-9566288141 [0,2,0,0,0,0|1,0,1]=4 1816 B5R0.5 C[C@@H](O)C(=O)N MCULE-2026557726 [0,2,0,0,0,0|1,0,1]=4 1817 B5R0.5 C[C@@H](O)C(=O)N MCULE-8056291801 [0,2,0,0,0,0|1,0,1]=4 1818 B5R0.5 C[C@@H](O)[C@@H](C)O MCULE-2843927827 [0,2,0,0,0,0|2,0,0]=4 1819 B5R0.5 C[C@@H](O)[C@@H](C)O MCULE-3739961672 [0,2,0,0,0,0|2,0,0]=4 1820 B5R0.5 C[C@@H](O)[C@@H](C)O MCULE-5488313047 [0,2,0,0,0,0|2,0,0]=4 1821 B5R0.5 C[C@H](Br)[C@@H](C)Br MCULE-7263507123 [0,2,0,0,0,0|2,0,0]=4 1822 B5R0.5 C[C@H](F)C(=O)N MCULE-7457242428 [0,2,0,0,0,0|1,0,1]=4 1823 B5R0.5 C[C@H](N)C(=O)N MCULE-4716963408 [0,2,0,0,0,0|0,0,1]=3 1824 B5R0.5 C[C@H](N)C(=O)N MCULE-6879702251 [0,2,0,0,0,0|0,0,1]=3 1825 B5R0.5 C[C@H](N)C(=O)N MCULE-7090555441 [0,2,0,0,0,0|0,0,1]=3 1826 B5R0.5 C[C@H](N)C(=O)N MCULE-7293369315 [0,2,0,0,0,0|0,0,1]=3 1827 B5R0.5 C[C@H](N)C(=O)N MCULE-7341432132 [0,2,0,0,0,0|0,0,1]=3 1828 B5R0.5 C[C@H](N)C(=O)N MCULE-7556063213 [0,2,0,0,0,0|0,0,1]=3 1829 B5R0.5 C[C@H](N)C(=O)N MCULE-8320991932 [0,2,0,0,0,0|0,0,1]=3 1830 B5R0.5 C[C@H](N)C(=O)N MCULE-8491573930 [0,2,0,0,0,0|0,0,1]=3 1831 B5R0.5 C[C@H](N)C(=O)O MCULE-4916719758 [0,2,0,0,0,0|1,0,1]=4 1832 B5R0.5 C[C@H](N)C(=O)O MCULE-5261590548 [0,2,0,0,0,0|1,0,1]=4 1833 B5R0.5 C[C@H](N)C(=O)O MCULE-7791919887 [0,2,0,0,0,0|1,0,1]=4 1834 B5R0.5 C[C@H](N)C(=O)O MCULE-8724854497 [0,2,0,0,0,0|1,0,1]=4 1835 B5R0.5 C[C@H](N)[C@@H](C)O MCULE-6389040758 [0,2,0,0,0,0|1,0,0]=3 1836 B5R0.5 C[C@H](N)[C@@H](C)O MCULE-7956913866 [0,2,0,0,0,0|1,0,0]=3 1837 B5R0.5 C[C@H](N)[C@H](C)N MCULE-1560418234 [0,2,0,0,0,0|0,0,0]=2 1838 B5R0.5 C[C@H](N)[C@H](C)O MCULE-1340338147 [0,2,0,0,0,0|1,0,0]=3 1839 B5R0.5 C[C@H](N)[C@H](C)O MCULE-1738016964 [0,2,0,0,0,0|1,0,0]=3 1840 B5R0.5 C[C@H](N)[C@H](C)O MCULE-2254798251 [0,2,0,0,0,0|1,0,0]=3 1841 B5R0.5 C[C@H](N)[C@H](C)O MCULE-7688101680 [0,2,0,0,0,0|1,0,0]=3 1842 B5R0.5 C[C@H](O)C(=O)N MCULE-8400190365 [0,2,0,0,0,0|1,0,1]=4 1843 B5R0.5 C[C@H](O)[C@@H](C)N MCULE-3776841970 [0,2,0,0,0,0|1,0,0]=3 1844 B5R0.5 C[C@H](O)[C@@H](C)N MCULE-4906999918 [0,2,0,0,0,0|1,0,0]=3 1845 B5R0.5 C[C@H](O)[C@@H](C)N MCULE-5860404631 [0,2,0,0,0,0|1,0,0]=3 1846 B5R0.5 C[C@H](O)[C@@H](C)N MCULE-5888789996 [0,2,0,0,0,0|1,0,0]=3 1847 B5R0.5 C[C@H](O)[C@@H](C)O MCULE-8389904530 [0,2,0,0,0,0|2,0,0]=4 1848 B5R0.5 C[C@H](O)[C@H](C)O MCULE-8448870055 [0,2,0,0,0,0|2,0,0]=4 1849 B5R0.5 C[C@H](O)[C@H](C)O MCULE-9615630900 [0,2,0,0,0,0|2,0,0]=4 1850 B5R0.5 C[C@H](S)[C@@H](C)O MCULE-3347141817 [0,2,0,0,0,0|2,0,0]=4 1851 B5R0.5 ClC(Cl)C(Cl)Cl MCULE-4029260741 [0,2,0,0,0,0|2,0,0]=4 1852 B5R0.5 FC(Cl)C(Cl)Cl MCULE-8036739850 [0,2,0,0,0,0|2,0,0]=4 1853 B5R0.5 FC(Cl)C(F)Cl MCULE-8576959735 [0,2,0,0,0,0|2,0,0]=4 1854 B5R0.5 FC(F)C(Cl)Cl MCULE-3568657525 [0,2,0,0,0,0|2,0,0]=4 1855 B5R0.5 N=C(N)N(N)N MCULE-6225047839 [0,2,0,0,0,0|1,0,1]=4 1856 B5R0.5 N=C(N)N(N)N MCULE-8407507713 [0,2,0,0,0,0|1,0,1]=4 1857 B5R0.5 NC(=O)C(=O)N MCULE-9024594322 [0,2,0,0,0,0|0,0,2]=4 1858 B5R0.5 NC(=O)C(Cl)Br MCULE-9082770089 [0,2,0,0,0,0|1,0,1]=4 1859 B5R0.5 NC(=O)C(Cl)Cl MCULE-3389337354 [0,2,0,0,0,0|1,0,1]=4 1860 B5R0.5 NC(=O)C(F)Br MCULE-8795303515 [0,2,0,0,0,0|1,0,1]=4 1861 B5R0.5 NC(=O)C(F)Cl MCULE-4267127037 [0,2,0,0,0,0|1,0,1]=4 1862 B5R0.5 NC(=O)C(F)F MCULE-7881392368 [0,2,0,0,0,0|1,0,1]=4 1863 B5R0.5 NC(=O)C(F)I MCULE-6067421301 [0,2,0,0,0,0|1,0,1]=4 1864 B5R0.5 NC(=S)C(=S)N MCULE-3109255800 [0,2,0,0,0,0|0,0,2]=4 1865 B5R0.5 NC(=S)C(F)F MCULE-3511485569 [0,2,0,0,0,0|1,0,1]=4 1866 B5R0.5 NC(O)C(=O)O MCULE-6546070388 [0,2,0,0,0,0|1,0,1]=4 1867 B5R0.5 OC(O)C(Cl)Cl MCULE-3363992346 [0,2,0,0,0,0|2,0,0]=4 1868 B5R0.5 [C@@H](C)(O)C(=O)N MCULE-6953360641 [0,2,0,0,0,0|1,0,1]=4 1869 B5R0.5 [NH3+]C(C)C(C)[NH3+] MCULE-4215582247 [0,2,0,0,0,0|0,0,2]=4 1870 B5R0.2 BrC/C=C/CBr MCULE-9004545331 [0,2,0,0,0,0|2,0,0]=4 1871 B5R0.2 BrCC#CCBr MCULE-3414204664 [0,2,0,0,0,0|2,0,0]=4 1872 B5R0.2 BrCC=CCBr MCULE-4240565660 [0,2,0,0,0,0|2,0,0]=4 1873 B5R0.2 BrCCCCBr MCULE-5088378536 [0,2,0,0,0,0|2,0,0]=4 1874 B5R0.2 C#CCCC#C MCULE-9901719987 [0,2,0,0,0,0|2,0,0]=4 1875 B5R0.2 C#CCCC#N MCULE-9172928565 [0,2,0,0,0,0|1,0,1]=4 1876 B5R0.2 C#CCCC=C MCULE-4858099861 [0,2,0,0,0,0|2,0,0]=4 1877 B5R0.2 C#CCCC=O MCULE-9994552907 [0,2,0,0,0,0|2,0,0]=4 1878 B5R0.2 C#CCCCBr MCULE-3834416844 [0,2,0,0,0,0|2,0,0]=4 1879 B5R0.2 C#CCCCC MCULE-5706969297 [0,2,0,0,0,0|2,0,0]=4 1880 B5R0.2 C#CCCCCl MCULE-3879115419 [0,2,0,0,0,0|2,0,0]=4 1881 B5R0.2 C#CCCCI MCULE-4063232871 [0,2,0,0,0,0|2,0,0]=4 1882 B5R0.2 C#CCCCN MCULE-3191305523 [0,2,0,0,0,0|1,0,0]=3 1883 B5R0.2 C#CCCCN MCULE-3259677872 [0,2,0,0,0,0|1,0,0]=3 1884 B5R0.2 C#CCCCO MCULE-6360852809 [0,2,0,0,0,0|2,0,0]=4 1885 B5R0.2 C#CCCNC MCULE-1590490287 [0,2,0,0,0,0|1,0,0]=3 1886 B5R0.2 C#CCCNC MCULE-4004733974 [0,2,0,0,0,0|1,0,0]=3 1887 B5R0.2 C#CCCNC MCULE-7566671614 [0,2,0,0,0,0|1,0,0]=3 1888 B5R0.2 C#CCCOC MCULE-7152168835 [0,2,0,0,0,0|2,0,0]=4 1889 B5R0.2 C#CCNCC MCULE-1258696824 [0,2,0,0,0,0|1,0,1]=4 1890 B5R0.2 C#CCNCC MCULE-3363103527 [0,2,0,0,0,0|1,0,1]=4 1891 B5R0.2 C#CCNOC MCULE-3336529831 [0,2,0,0,0,0|1,0,1]=4 1892 B5R0.2 C#CCNOC MCULE-7807129420 [0,2,0,0,0,0|1,0,1]=4 1893 B5R0.2 C#CCOCC MCULE-1055202735 [0,2,0,0,0,0|2,0,0]=4 1894 B5R0.2 C#CCOCCl MCULE-6198656758 [0,2,0,0,0,0|2,0,0]=4 1895 B5R0.2 C#CCSCC MCULE-5718021970 [0,2,0,0,0,0|2,0,0]=4 1896 B5R0.2 C(=CCCl)CN MCULE-8092426171 [0,2,0,0,0,0|1,0,0]=3 1897 B5R0.2 C(=CCCl)CN MCULE-9706120646 [0,2,0,0,0,0|1,0,0]=3 1898 B5R0.2 C(=C\CCl)\CN MCULE-3474871402 [0,2,0,0,0,0|1,0,0]=3 1899 B5R0.2 C/C=C/CCC MCULE-9851656818 [0,2,0,0,0,0|2,0,0]=4 1900 B5R0.2 C/C=C/CCO MCULE-3952855392 [0,2,0,0,0,0|2,0,0]=4 1901 B5R0.2 C/C=C\CCC MCULE-1013657748 [0,2,0,0,0,0|2,0,0]=4 1902 B5R0.2 C=C=CCCBr MCULE-5561919067 [0,2,0,0,0,0|2,0,0]=4 1903 B5R0.2 C=C=CCCI MCULE-7583015374 [0,2,0,0,0,0|2,0,0]=4 1904 B5R0.2 C=C=CCCN MCULE-5814175873 [0,2,0,0,0,0|1,0,0]=3 1905 B5R0.2 C=C=CCCN MCULE-8177198091 [0,2,0,0,0,0|1,0,0]=3 1906 B5R0.2 C=C=CCCO MCULE-1054355649 [0,2,0,0,0,0|2,0,0]=4 1907 B5R0.2 C=CCCC#N MCULE-8967750268 [0,2,0,0,0,0|1,0,1]=4 1908 B5R0.2 C=CCCC=C MCULE-2599309974 [0,2,0,0,0,0|2,0,0]=4 1909 B5R0.2 C=CCCC=O MCULE-7850336174 [0,2,0,0,0,0|2,0,0]=4 1910 B5R0.2 C=CCCCBr MCULE-5027518679 [0,2,0,0,0,0|2,0,0]=4 1911 B5R0.2 C=CCCCC MCULE-4750698031 [0,2,0,0,0,0|2,0,0]=4 1912 B5R0.2 C=CCCCCl MCULE-3877430809 [0,2,0,0,0,0|2,0,0]=4 1913 B5R0.2 C=CCCCI MCULE-8692831514 [0,2,0,0,0,0|2,0,0]=4 1914 B5R0.2 C=CCCCN MCULE-5787926547 [0,2,0,0,0,0|1,0,0]=3 1915 B5R0.2 C=CCCCN MCULE-7346989227 [0,2,0,0,0,0|1,0,0]=3 1916 B5R0.2 C=CCCCO MCULE-5946342321 [0,2,0,0,0,0|2,0,0]=4 1917 B5R0.2 C=CCCNC MCULE-2124263362 [0,2,0,0,0,0|1,0,0]=3 1918 B5R0.2 C=CCCNC MCULE-5024925990 [0,2,0,0,0,0|1,0,0]=3 1919 B5R0.2 C=CCCOC MCULE-4681354270 [0,2,0,0,0,0|2,0,0]=4 1920 B5R0.2 C=CCCON MCULE-3476228435 [0,2,0,0,0,0|1,0,0]=3 1921 B5R0.2 C=CCCON MCULE-9206052895 [0,2,0,0,0,0|1,0,0]=3 1922 B5R0.2 C=CCNC=O MCULE-1911798514 [0,2,0,0,0,0|1,0,1]=4 1923 B5R0.2 C=CCNCC MCULE-6987567673 [0,2,0,0,0,0|1,0,1]=4 1924 B5R0.2 C=CCNCC MCULE-8318544337 [0,2,0,0,0,0|1,0,1]=4 1925 B5R0.2 C=CCOCC MCULE-4363356618 [0,2,0,0,0,0|2,0,0]=4 1926 B5R0.2 C=CCOCCl MCULE-6656252526 [0,2,0,0,0,0|2,0,0]=4 1927 B5R0.2 C=CCONC MCULE-4537899476 [0,2,0,0,0,0|1,0,1]=4 1928 B5R0.2 C=CCONC MCULE-9645204142 [0,2,0,0,0,0|1,0,1]=4 1929 B5R0.2 C=CCSCC MCULE-3816911529 [0,2,0,0,0,0|2,0,0]=4 1930 B5R0.2 C=COCCC MCULE-4423853666 [0,2,0,0,0,0|2,0,0]=4 1931 B5R0.2 C=COCCCl MCULE-7782311030 [0,2,0,0,0,0|2,0,0]=4 1932 B5R0.2 C=COCCN MCULE-8052872924 [0,2,0,0,0,0|1,0,0]=3 1933 B5R0.2 C=COCCN MCULE-8496820259 [0,2,0,0,0,0|1,0,0]=3 1934 B5R0.2 C=COCCO MCULE-9383372818 [0,2,0,0,0,0|2,0,0]=4 1935 B5R0.2 CC#CCCBr MCULE-5650557113 [0,2,0,0,0,0|2,0,0]=4 1936 B5R0.2 CC#CCCC MCULE-8179328151 [0,2,0,0,0,0|2,0,0]=4 1937 B5R0.2 CC#CCCN MCULE-2130545109 [0,2,0,0,0,0|1,0,0]=3 1938 B5R0.2 CC#CCCN MCULE-7156357315 [0,2,0,0,0,0|1,0,0]=3 1939 B5R0.2 CC#CCCO MCULE-9400138491 [0,2,0,0,0,0|2,0,0]=4 1940 B5R0.2 CC#CCNC MCULE-3549759323 [0,2,0,0,0,0|1,0,1]=4 1941 B5R0.2 CC#CCNC MCULE-7250319597 [0,2,0,0,0,0|1,0,1]=4 1942 B5R0.2 CC#CCON MCULE-6251915377 [0,2,0,0,0,0|1,0,1]=4 1943 B5R0.2 CC#CCON MCULE-7089104173 [0,2,0,0,0,0|1,0,1]=4 1944 B5R0.2 CC/C=C/CC MCULE-6762040186 [0,2,0,0,0,0|2,0,0]=4 1945 B5R0.2 CC/C=C\CC MCULE-9418110460 [0,2,0,0,0,0|2,0,0]=4 1946 B5R0.2 CC/C=C\CO MCULE-5480473249 [0,2,0,0,0,0|2,0,0]=4 1947 B5R0.2 CC=CCCBr MCULE-7329159278 [0,2,0,0,0,0|2,0,0]=4 1948 B5R0.2 CC=CCCC MCULE-8736231124 [0,2,0,0,0,0|2,0,0]=4 1949 B5R0.2 CC=CCCN MCULE-5129102475 [0,2,0,0,0,0|1,0,0]=3 1950 B5R0.2 CC=CCCN MCULE-8500001929 [0,2,0,0,0,0|1,0,0]=3 1951 B5R0.2 CC=CCCO MCULE-4302367089 [0,2,0,0,0,0|2,0,0]=4 1952 B5R0.2 CCC#CCBr MCULE-4725992084 [0,2,0,0,0,0|2,0,0]=4 1953 B5R0.2 CCC#CCC MCULE-2027962178 [0,2,0,0,0,0|2,0,0]=4 1954 B5R0.2 CCC#CCCl MCULE-7122423261 [0,2,0,0,0,0|2,0,0]=4 1955 B5R0.2 CCC#CCN MCULE-8712641266 [0,2,0,0,0,0|1,0,0]=3 1956 B5R0.2 CCC#CCO MCULE-8633965917 [0,2,0,0,0,0|2,0,0]=4 1957 B5R0.2 CCC=CCBr MCULE-5326763881 [0,2,0,0,0,0|2,0,0]=4 1958 B5R0.2 CCC=CCC MCULE-5435957422 [0,2,0,0,0,0|2,0,0]=4 1959 B5R0.2 CCC=CCO MCULE-5633399984 [0,2,0,0,0,0|2,0,0]=4 1960 B5R0.2 CCCC#CI MCULE-5016901652 [0,2,0,0,0,0|2,0,0]=4 1961 B5R0.2 CCCC=NO MCULE-7364375780 [0,2,0,0,0,0|1,0,1]=4 1962 B5R0.2 CCCCC#N MCULE-4015236167 [0,2,0,0,0,0|1,0,1]=4 1963 B5R0.2 CCCCC=O MCULE-4736782822 [0,2,0,0,0,0|2,0,0]=4 1964 B5R0.2 CCCCCBr MCULE-8513521912 [0,2,0,0,0,0|2,0,0]=4 1965 B5R0.2 CCCCCC MCULE-3465692202 [0,2,0,0,0,0|2,0,0]=4 1966 B5R0.2 CCCCCCl MCULE-4412759460 [0,2,0,0,0,0|2,0,0]=4 1967 B5R0.2 CCCCCF MCULE-6399883281 [0,2,0,0,0,0|2,0,0]=4 1968 B5R0.2 CCCCCI MCULE-4590300793 [0,2,0,0,0,0|2,0,0]=4 1969 B5R0.2 CCCCCN MCULE-3371742982 [0,2,0,0,0,0|1,0,0]=3 1970 B5R0.2 CCCCCN MCULE-4371067300 [0,2,0,0,0,0|1,0,0]=3 1971 B5R0.2 CCCCCN MCULE-6547961798 [0,2,0,0,0,0|1,0,0]=3 1972 B5R0.2 CCCCCN MCULE-7483248760 [0,2,0,0,0,0|1,0,0]=3 1973 B5R0.2 CCCCCO MCULE-8714292632 [0,2,0,0,0,0|2,0,0]=4 1974 B5R0.2 CCCCCS MCULE-5476379340 [0,2,0,0,0,0|2,0,0]=4 1975 B5R0.2 CCCCNC MCULE-9321610906 [0,2,0,0,0,0|1,0,0]=3 1976 B5R0.2 CCCCNN MCULE-6681305566 [0,2,0,0,0,0|1,0,0]=3 1977 B5R0.2 CCCCNN MCULE-6890760890 [0,2,0,0,0,0|1,0,0]=3 1978 B5R0.2 CCCCNN MCULE-7362497327 [0,2,0,0,0,0|1,0,0]=3 1979 B5R0.2 CCCCNN MCULE-8463623644 [0,2,0,0,0,0|1,0,0]=3 1980 B5R0.2 CCCCNO MCULE-1911206569 [0,2,0,0,0,0|1,0,0]=3 1981 B5R0.2 CCCCNO MCULE-3820646216 [0,2,0,0,0,0|1,0,0]=3 1982 B5R0.2 CCCCOC MCULE-9814272675 [0,2,0,0,0,0|2,0,0]=4 1983 B5R0.2 CCCCON MCULE-7582349983 [0,2,0,0,0,0|1,0,0]=3 1984 B5R0.2 CCCCON MCULE-8175627798 [0,2,0,0,0,0|1,0,0]=3 1985 B5R0.2 CCCCSC MCULE-2799775567 [0,2,0,0,0,0|2,0,0]=4 1986 B5R0.2 CCCN=C=O MCULE-9014468293 [0,2,0,0,0,0|1,0,1]=4 1987 B5R0.2 CCCN=C=S MCULE-7947940355 [0,2,0,0,0,0|1,0,1]=4 1988 B5R0.2 CCCNC=O MCULE-6344556391 [0,2,0,0,0,0|1,0,0]=3 1989 B5R0.2 CCCNCC MCULE-7948828264 [0,2,0,0,0,0|1,0,0]=3 1990 B5R0.2 CCCNCC MCULE-9107549207 [0,2,0,0,0,0|1,0,0]=3 1991 B5R0.2 CCCOC=O MCULE-3133604529 [0,2,0,0,0,0|2,0,0]=4 1992 B5R0.2 CCCOCBr MCULE-3585683043 [0,2,0,0,0,0|2,0,0]=4 1993 B5R0.2 CCCOCC MCULE-9971916790 [0,2,0,0,0,0|2,0,0]=4 1994 B5R0.2 CCCOCCl MCULE-1932627202 [0,2,0,0,0,0|2,0,0]=4 1995 B5R0.2 CCCSC#N MCULE-9018157774 [0,2,0,0,0,0|1,0,1]=4 1996 B5R0.2 CCCSCC MCULE-4547385568 [0,2,0,0,0,0|2,0,0]=4 1997 B5R0.2 CCCSSC MCULE-3127072032 [0,2,0,0,0,0|2,0,0]=4 1998 B5R0.2 CCNCC#N MCULE-8279629720 [0,2,0,0,0,0|0,0,2]=4 1999 B5R0.2 CCNCCCl MCULE-2589770119 [0,2,0,0,0,0|1,0,0]=3 2000 B5R0.2 CCNCCCl MCULE-3098032672 [0,2,0,0,0,0|1,0,0]=3 2001 B5R0.2 CCNCCN MCULE-7854769899 [0,2,0,0,0,0|0,0,0]=2 2002 B5R0.2 CCNCCO MCULE-2537734730 [0,2,0,0,0,0|1,0,0]=3 2003 B5R0.2 CCNCCO MCULE-3738714907 [0,2,0,0,0,0|1,0,0]=3 2004 B5R0.2 CCNNCC MCULE-4789314801 [0,2,0,0,0,0|2,0,0]=4 2005 B5R0.2 CCNNCC MCULE-9060220585 [0,2,0,0,0,0|2,0,0]=4 2006 B5R0.2 CCOCC#N MCULE-6709940440 [0,2,0,0,0,0|1,0,1]=4 2007 B5R0.2 CCOCCBr MCULE-4818900555 [0,2,0,0,0,0|2,0,0]=4 2008 B5R0.2 CCOCCCl MCULE-1290576729 [0,2,0,0,0,0|2,0,0]=4 2009 B5R0.2 CCOCCI MCULE-1833092968 [0,2,0,0,0,0|2,0,0]=4 2010 B5R0.2 CCOCCN MCULE-1254431240 [0,2,0,0,0,0|1,0,0]=3 2011 B5R0.2 CCOCCN MCULE-4039110889 [0,2,0,0,0,0|1,0,0]=3 2012 B5R0.2 CCOCCN MCULE-4400456933 [0,2,0,0,0,0|1,0,0]=3 2013 B5R0.2 CCOCCO MCULE-4311513289 [0,2,0,0,0,0|2,0,0]=4 2014 B5R0.2 CCOCCS MCULE-3968740645 [0,2,0,0,0,0|2,0,0]=4 2015 B5R0.2 CCSCC#N MCULE-4093791055 [0,2,0,0,0,0|1,0,1]=4 2016 B5R0.2 CCSCC=O MCULE-8069035019 [0,2,0,0,0,0|2,0,0]=4 2017 B5R0.2 CCSCCBr MCULE-9449933342 [0,2,0,0,0,0|2,0,0]=4 2018 B5R0.2 CCSCCCl MCULE-4057847237 [0,2,0,0,0,0|2,0,0]=4 2019 B5R0.2 CCSCCN MCULE-3375644872 [0,2,0,0,0,0|1,0,0]=3 2020 B5R0.2 CCSCCN MCULE-4466279976 [0,2,0,0,0,0|1,0,0]=3 2021 B5R0.2 CCSCCO MCULE-3557086162 [0,2,0,0,0,0|2,0,0]=4 2022 B5R0.2 CCSCCS MCULE-4583054157 [0,2,0,0,0,0|2,0,0]=4 2023 B5R0.2 CCSSCC MCULE-7989926475 [0,2,0,0,0,0|2,0,0]=4 2024 B5R0.2 CC[Se][Se]CC MCULE-2725282576 [0,2,0,0,0,0|2,0,0]=4 2025 B5R0.2 CNCCC#N MCULE-6686234290 [0,2,0,0,0,0|0,0,1]=3 2026 B5R0.2 CNCCCBr MCULE-3376600253 [0,2,0,0,0,0|1,0,0]=3 2027 B5R0.2 CNCCCBr MCULE-6212326106 [0,2,0,0,0,0|1,0,0]=3 2028 B5R0.2 CNCCCCl MCULE-1007719210 [0,2,0,0,0,0|1,0,0]=3 2029 B5R0.2 CNCCCCl MCULE-6146901643 [0,2,0,0,0,0|1,0,0]=3 2030 B5R0.2 CNCCCF MCULE-7647417887 [0,2,0,0,0,0|1,0,0]=3 2031 B5R0.2 CNCCCN MCULE-1736081896 [0,2,0,0,0,0|0,0,0]=2 2032 B5R0.2 CNCCCO MCULE-9530478547 [0,2,0,0,0,0|1,0,0]=3 2033 B5R0.2 CNCCNC MCULE-1378979868 [0,2,0,0,0,0|0,0,0]=2 2034 B5R0.2 CNCCNC MCULE-3281508478 [0,2,0,0,0,0|0,0,0]=2 2035 B5R0.2 CNCCOC MCULE-2857904484 [0,2,0,0,0,0|1,0,0]=3 2036 B5R0.2 CNCCOC MCULE-5342712496 [0,2,0,0,0,0|1,0,0]=3 2037 B5R0.2 CNCCSC MCULE-2812984399 [0,2,0,0,0,0|1,0,0]=3 2038 B5R0.2 CNCCSC MCULE-2942435951 [0,2,0,0,0,0|1,0,0]=3 2039 B5R0.2 CNOCCN MCULE-3163962093 [0,2,0,0,0,0|0,0,0]=2 2040 B5R0.2 CNOCCN MCULE-7379538500 [0,2,0,0,0,0|0,0,0]=2 2041 B5R0.2 COCCC#N MCULE-3009737584 [0,2,0,0,0,0|1,0,1]=4 2042 B5R0.2 COCCC=O MCULE-2812117208 [0,2,0,0,0,0|2,0,0]=4 2043 B5R0.2 COCCCBr MCULE-6489536401 [0,2,0,0,0,0|2,0,0]=4 2044 B5R0.2 COCCCCl MCULE-9192274624 [0,2,0,0,0,0|2,0,0]=4 2045 B5R0.2 COCCCF MCULE-5055725246 [0,2,0,0,0,0|2,0,0]=4 2046 B5R0.2 COCCCI MCULE-9111605439 [0,2,0,0,0,0|2,0,0]=4 2047 B5R0.2 COCCCN MCULE-1421362990 [0,2,0,0,0,0|1,0,0]=3 2048 B5R0.2 COCCCN MCULE-4783132205 [0,2,0,0,0,0|1,0,0]=3 2049 B5R0.2 COCCCO MCULE-4041418048 [0,2,0,0,0,0|2,0,0]=4 2050 B5R0.2 COCCCS MCULE-2371333731 [0,2,0,0,0,0|2,0,0]=4 2051 B5R0.2 COCCNN MCULE-2086510453 [0,2,0,0,0,0|1,0,0]=3 2052 B5R0.2 COCCNN MCULE-4830987822 [0,2,0,0,0,0|1,0,0]=3 2053 B5R0.2 COCCNN MCULE-8361975855 [0,2,0,0,0,0|1,0,0]=3 2054 B5R0.2 COCCOC MCULE-7572196731 [0,2,0,0,0,0|2,0,0]=4 2055 B5R0.2 COCCON MCULE-3507489398 [0,2,0,0,0,0|1,0,0]=3 2056 B5R0.2 COCCON MCULE-8506879697 [0,2,0,0,0,0|1,0,0]=3 2057 B5R0.2 COCCSC MCULE-5362054021 [0,2,0,0,0,0|2,0,0]=4 2058 B5R0.2 CONCCN MCULE-3332727097 [0,2,0,0,0,0|0,0,0]=2 2059 B5R0.2 CONCCN MCULE-5066538639 [0,2,0,0,0,0|0,0,0]=2 2060 B5R0.2 CONCCO MCULE-9787830121 [0,2,0,0,0,0|1,0,0]=3 2061 B5R0.2 CSCCC#N MCULE-5755086116 [0,2,0,0,0,0|1,0,1]=4 2062 B5R0.2 CSCCC=O MCULE-6273241704 [0,2,0,0,0,0|2,0,0]=4 2063 B5R0.2 CSCCCBr MCULE-8399851816 [0,2,0,0,0,0|2,0,0]=4 2064 B5R0.2 CSCCCCl MCULE-1829120476 [0,2,0,0,0,0|2,0,0]=4 2065 B5R0.2 CSCCCN MCULE-1030938424 [0,2,0,0,0,0|1,0,0]=3 2066 B5R0.2 CSCCCN MCULE-4664984921 [0,2,0,0,0,0|1,0,0]=3 2067 B5R0.2 CSCCCO MCULE-9232413185 [0,2,0,0,0,0|2,0,0]=4 2068 B5R0.2 CSCCCS MCULE-8405766359 [0,2,0,0,0,0|2,0,0]=4 2069 B5R0.2 CSCCON MCULE-9125601960 [0,2,0,0,0,0|1,0,0]=3 2070 B5R0.2 CSSCCN MCULE-7065189564 [0,2,0,0,0,0|1,0,0]=3 2071 B5R0.2 CSSCCN MCULE-8654200268 [0,2,0,0,0,0|1,0,0]=3 2072 B5R0.2 ClC/C=C/CCl MCULE-3586653669 [0,2,0,0,0,0|2,0,0]=4 2073 B5R0.2 ClC/C=C\CCl MCULE-9193094097 [0,2,0,0,0,0|2,0,0]=4 2074 B5R0.2 ClCC#CCCl MCULE-6432554678 [0,2,0,0,0,0|2,0,0]=4 2075 B5R0.2 ClCC=CCCl MCULE-9190878082 [0,2,0,0,0,0|2,0,0]=4 2076 B5R0.2 ClCCCCBr MCULE-7973194927 [0,2,0,0,0,0|2,0,0]=4 2077 B5R0.2 ClCCCCCl MCULE-4863501782 [0,2,0,0,0,0|2,0,0]=4 2078 B5R0.2 ClCCCCI MCULE-4303507089 [0,2,0,0,0,0|2,0,0]=4 2079 B5R0.2 ClCCOCCl MCULE-7585684590 [0,2,0,0,0,0|2,0,0]=4 2080 B5R0.2 ClCOCCBr MCULE-6843473950 [0,2,0,0,0,0|2,0,0]=4 2081 B5R0.2 FCCCCBr MCULE-8408956872 [0,2,0,0,0,0|2,0,0]=4 2082 B5R0.2 FCCCCF MCULE-1347438150 [0,2,0,0,0,0|2,0,0]=4 2083 B5R0.2 FCCN=C=S MCULE-4106769677 [0,2,0,0,0,0|1,0,1]=4 2084 B5R0.2 ICCCCI MCULE-1390457250 [0,2,0,0,0,0|2,0,0]=4 2085 B5R0.2 N#CCCC#N MCULE-5570794181 [0,2,0,0,0,0|0,0,2]=4 2086 B5R0.2 N#CCCC=O MCULE-9521735106 [0,2,0,0,0,0|1,0,1]=4 2087 B5R0.2 N#CCCCBr MCULE-2664469446 [0,2,0,0,0,0|1,0,1]=4 2088 B5R0.2 N#CCCCCl MCULE-3310172135 [0,2,0,0,0,0|1,0,1]=4 2089 B5R0.2 N#CCCCF MCULE-3514322336 [0,2,0,0,0,0|1,0,1]=4 2090 B5R0.2 N#CCCCI MCULE-7661529037 [0,2,0,0,0,0|1,0,1]=4 2091 B5R0.2 N#CCCCN MCULE-7159177087 [0,2,0,0,0,0|0,0,1]=3 2092 B5R0.2 N#CCCCN MCULE-8406710235 [0,2,0,0,0,0|0,0,1]=3 2093 B5R0.2 N#CCCCO MCULE-2108386837 [0,2,0,0,0,0|1,0,1]=4 2094 B5R0.2 N#CCCNN MCULE-2873114425 [0,2,0,0,0,0|0,0,1]=3 2095 B5R0.2 N#CCCON MCULE-4242787851 [0,2,0,0,0,0|0,0,1]=3 2096 B5R0.2 N#CCCON MCULE-9943219810 [0,2,0,0,0,0|0,0,1]=3 2097 B5R0.2 N#CSCCCl MCULE-1181766006 [0,2,0,0,0,0|1,0,1]=4 2098 B5R0.2 N#N=NCCBr MCULE-5285576727 [0,2,0,0,0,0|1,0,1]=4 2099 B5R0.2 N#N=NCCCl MCULE-2902338750 [0,2,0,0,0,0|1,0,1]=4 2100 B5R0.2 N#N=NCCF MCULE-8153375666 [0,2,0,0,0,0|1,0,1]=4 2101 B5R0.2 N#N=NCCI MCULE-6126000950 [0,2,0,0,0,0|1,0,1]=4 2102 B5R0.2 N#N=NCCN MCULE-2129393630 [0,2,0,0,0,0|0,0,1]=3 2103 B5R0.2 N#N=NCCN MCULE-2260153271 [0,2,0,0,0,0|0,0,1]=3 2104 B5R0.2 N#N=NCCO MCULE-6147827656 [0,2,0,0,0,0|1,0,1]=4 2105 B5R0.2 NC/C=C/CN MCULE-3194321905 [0,2,0,0,0,0|0,0,0]=2 2106 B5R0.2 NC/C=C/CN MCULE-8357316852 [0,2,0,0,0,0|0,0,0]=2 2107 B5R0.2 NC/C=C\CCl MCULE-7895966955 [0,2,0,0,0,0|1,0,0]=3 2108 B5R0.2 NC/C=C\CN MCULE-6310541400 [0,2,0,0,0,0|0,0,0]=2 2109 B5R0.2 NC/C=C\CN MCULE-8765736519 [0,2,0,0,0,0|0,0,0]=2 2110 B5R0.2 NCC#CCCl MCULE-3774554520 [0,2,0,0,0,0|1,0,0]=3 2111 B5R0.2 NCC#CCCl MCULE-3851000158 [0,2,0,0,0,0|1,0,0]=3 2112 B5R0.2 NCC#CCN MCULE-2193445650 [0,2,0,0,0,0|0,0,0]=2 2113 B5R0.2 NCC#CCN MCULE-6401411060 [0,2,0,0,0,0|0,0,0]=2 2114 B5R0.2 NCC#CCO MCULE-4844677613 [0,2,0,0,0,0|1,0,0]=3 2115 B5R0.2 NCC#CCO MCULE-9095239812 [0,2,0,0,0,0|1,0,0]=3 2116 B5R0.2 NCC=CCN MCULE-3768809289 [0,2,0,0,0,0|0,0,0]=2 2117 B5R0.2 NCC=CCN MCULE-4004493343 [0,2,0,0,0,0|0,0,0]=2 2118 B5R0.2 NCC=CCN MCULE-6780035248 [0,2,0,0,0,0|0,0,0]=2 2119 B5R0.2 NCC=CCO MCULE-4993379992 [0,2,0,0,0,0|1,0,0]=3 2120 B5R0.2 NCCCCBr MCULE-7095299053 [0,2,0,0,0,0|1,0,0]=3 2121 B5R0.2 NCCCCBr MCULE-7716027825 [0,2,0,0,0,0|1,0,0]=3 2122 B5R0.2 NCCCCCl MCULE-8484381726 [0,2,0,0,0,0|1,0,0]=3 2123 B5R0.2 NCCCCCl MCULE-9917306082 [0,2,0,0,0,0|1,0,0]=3 2124 B5R0.2 NCCCCF MCULE-4260727945 [0,2,0,0,0,0|1,0,0]=3 2125 B5R0.2 NCCCCF MCULE-7716720921 [0,2,0,0,0,0|1,0,0]=3 2126 B5R0.2 NCCCCN MCULE-3098044935 [0,2,0,0,0,0|0,0,0]=2 2127 B5R0.2 NCCCCN MCULE-7898833229 [0,2,0,0,0,0|0,0,0]=2 2128 B5R0.2 NCCCCN MCULE-8029479697 [0,2,0,0,0,0|0,0,0]=2 2129 B5R0.2 NCCCCN MCULE-8509656776 [0,2,0,0,0,0|0,0,0]=2 2130 B5R0.2 NCCCCO MCULE-7395674091 [0,2,0,0,0,0|1,0,0]=3 2131 B5R0.2 NCCCCS MCULE-4353910418 [0,2,0,0,0,0|1,0,0]=3 2132 B5R0.2 NCCCCS MCULE-9812416858 [0,2,0,0,0,0|1,0,0]=3 2133 B5R0.2 NCCCNN MCULE-7657257572 [0,2,0,0,0,0|0,0,0]=2 2134 B5R0.2 NCCCON MCULE-1071170242 [0,2,0,0,0,0|0,0,0]=2 2135 B5R0.2 NCCCON MCULE-7767315563 [0,2,0,0,0,0|0,0,0]=2 2136 B5R0.2 NNCCCO MCULE-5557482626 [0,2,0,0,0,0|1,0,0]=3 2137 B5R0.2 NNCCCO MCULE-7351853032 [0,2,0,0,0,0|1,0,0]=3 2138 B5R0.2 NNCCCO MCULE-7919314403 [0,2,0,0,0,0|1,0,0]=3 2139 B5R0.2 NOC/C=C/Cl MCULE-3781481075 [0,2,0,0,0,0|1,0,1]=4 2140 B5R0.2 NOC/C=C/Cl MCULE-8874475488 [0,2,0,0,0,0|1,0,1]=4 2141 B5R0.2 NOCC=CCl MCULE-5233830243 [0,2,0,0,0,0|1,0,1]=4 2142 B5R0.2 NOCC=CCl MCULE-7677577759 [0,2,0,0,0,0|1,0,1]=4 2143 B5R0.2 NOCCCO MCULE-1072312935 [0,2,0,0,0,0|1,0,0]=3 2144 B5R0.2 NOCCCO MCULE-3715520109 [0,2,0,0,0,0|1,0,0]=3 2145 B5R0.2 NOCCCS MCULE-2063976508 [0,2,0,0,0,0|1,0,0]=3 2146 B5R0.2 NOCCCS MCULE-3464018652 [0,2,0,0,0,0|1,0,0]=3 2147 B5R0.2 NOCCON MCULE-2027662613 [0,2,0,0,0,0|0,0,0]=2 2148 B5R0.2 NOCCON MCULE-3458073239 [0,2,0,0,0,0|0,0,0]=2 2149 B5R0.2 O=C=NCCBr MCULE-9707894644 [0,2,0,0,0,0|1,0,1]=4 2150 B5R0.2 O=C=NCCCl MCULE-8919918461 [0,2,0,0,0,0|1,0,1]=4 2151 B5R0.2 O=CCCC=O MCULE-3362810468 [0,2,0,0,0,0|2,0,0]=4 2152 B5R0.2 O=CCCC=O MCULE-3813951568 [0,2,0,0,0,0|2,0,0]=4 2153 B5R0.2 O=CCCCBr MCULE-7239613396 [0,2,0,0,0,0|2,0,0]=4 2154 B5R0.2 O=CCCCCl MCULE-3011225716 [0,2,0,0,0,0|2,0,0]=4 2155 B5R0.2 O=CCCCI MCULE-3153720790 [0,2,0,0,0,0|2,0,0]=4 2156 B5R0.2 O=CCCCO MCULE-8728420992 [0,2,0,0,0,0|2,0,0]=4 2157 B5R0.2 O=CNCCO MCULE-3688614090 [0,2,0,0,0,0|1,0,0]=3 2158 B5R0.2 O=COCCO MCULE-1922672843 [0,2,0,0,0,0|2,0,0]=4 2159 B5R0.2 OC/C=C/CCl MCULE-4378785113 [0,2,0,0,0,0|2,0,0]=4 2160 B5R0.2 OC/C=C/CO MCULE-4752272005 [0,2,0,0,0,0|2,0,0]=4 2161 B5R0.2 OC/C=C\CO MCULE-2695577582 [0,2,0,0,0,0|2,0,0]=4 2162 B5R0.2 OC=CCCBr MCULE-3964604828 [0,2,0,0,0,0|2,0,0]=4 2163 B5R0.2 OC=CCCBr MCULE-5728835735 [0,2,0,0,0,0|2,0,0]=4 2164 B5R0.2 OCC#CCBr MCULE-1662147427 [0,2,0,0,0,0|2,0,0]=4 2165 B5R0.2 OCC#CCCl MCULE-9445494949 [0,2,0,0,0,0|2,0,0]=4 2166 B5R0.2 OCC#CCO MCULE-2650636766 [0,2,0,0,0,0|2,0,0]=4 2167 B5R0.2 OCC=CCCl MCULE-7597942117 [0,2,0,0,0,0|2,0,0]=4 2168 B5R0.2 OCC=CCO MCULE-9559211408 [0,2,0,0,0,0|2,0,0]=4 2169 B5R0.2 OCCCCBr MCULE-9231591925 [0,2,0,0,0,0|2,0,0]=4 2170 B5R0.2 OCCCCCl MCULE-3507644812 [0,2,0,0,0,0|2,0,0]=4 2171 B5R0.2 OCCCCF MCULE-9242285588 [0,2,0,0,0,0|2,0,0]=4 2172 B5R0.2 OCCCCI MCULE-8723720522 [0,2,0,0,0,0|2,0,0]=4 2173 B5R0.2 OCCCCO MCULE-2010022287 [0,2,0,0,0,0|2,0,0]=4 2174 B5R0.2 OCCCCO MCULE-6551106098 [0,2,0,0,0,0|2,0,0]=4 2175 B5R0.2 OCCCCS MCULE-8169490949 [0,2,0,0,0,0|2,0,0]=4 2176 B5R0.2 OCCNCO MCULE-2141033453 [0,2,0,0,0,0|1,0,0]=3 2177 B5R0.2 S=C=NCCBr MCULE-9583896675 [0,2,0,0,0,0|1,0,1]=4 2178 B5R0.2 S=C=NCCCl MCULE-3919932972 [0,2,0,0,0,0|1,0,1]=4 2179 B5R0.2 SCCCCS MCULE-6695609899 [0,2,0,0,0,0|2,0,0]=4 2180 B3R1.1 C1CC1 MCULE-3418833052 [1,0,0,1,0,0|1,0,0]=3 2181 B3R1.1 C1CN1 MCULE-4736867570 [1,0,0,1,0,0|0,0,0]=2 2182 B3R1.1 C1CS1 MCULE-2741112339 [1,0,0,1,0,0|1,0,0]=3 2183 B5R1.2 BrC1=CCC1 MCULE-7839710306 [0,1,0,1,0,0|2,0,0]=4 2184 B5R1.2 BrC1CCC1 MCULE-3713567804 [0,1,0,1,0,0|2,0,0]=4 2185 B5R1.2 BrC1CNC1 MCULE-4959282437 [0,1,0,1,0,0|1,0,0]=3 2186 B5R1.2 BrC1CNC1 MCULE-5635086924 [0,1,0,1,0,0|1,0,0]=3 2187 B5R1.2 BrC1CNC1 MCULE-7561312043 [0,1,0,1,0,0|1,0,0]=3 2188 B5R1.2 BrC1COC1 MCULE-7527620035 [0,1,0,1,0,0|2,0,0]=4 2189 B5R1.2 C=C1CCC1 MCULE-8318650413 [0,1,0,1,0,0|2,0,0]=4 2190 B5R1.2 C=C1CNC1 MCULE-1391021267 [0,1,0,1,0,0|1,0,1]=4 2191 B5R1.2 C=C1CNC1 MCULE-7957953185 [0,1,0,1,0,0|1,0,1]=4 2192 B5R1.2 CC1CCN1 MCULE-7952714343 [0,1,0,1,0,0|1,0,0]=3 2193 B5R1.2 CC1CCN1 MCULE-9084374728 [0,1,0,1,0,0|1,0,0]=3 2194 B5R1.2 CC1CNC1 MCULE-3977066574 [0,1,0,1,0,0|1,0,0]=3 2195 B5R1.2 CC1CNC1 MCULE-7868611457 [0,1,0,1,0,0|1,0,0]=3 2196 B5R1.2 C[C@@H]1CCN1 MCULE-1326888606 [0,1,0,1,0,0|1,0,0]=3 2197 B5R1.2 C[C@@H]1CCN1 MCULE-4242598105 [0,1,0,1,0,0|1,0,0]=3 2198 B5R1.2 C[C@@H]1CCN1 MCULE-7982357684 [0,1,0,1,0,0|1,0,0]=3 2199 B5R1.2 C[C@@H]1CCN1 MCULE-9443505478 [0,1,0,1,0,0|1,0,0]=3 2200 B5R1.2 C[C@H]1CCN1 MCULE-3178162849 [0,1,0,1,0,0|1,0,0]=3 2201 B5R1.2 C[C@H]1CCN1 MCULE-4001397038 [0,1,0,1,0,0|1,0,0]=3 2202 B5R1.2 C[C@H]1CCN1 MCULE-4361200248 [0,1,0,1,0,0|1,0,0]=3 2203 B5R1.2 C[C@H]1CCN1 MCULE-6534579029 [0,1,0,1,0,0|1,0,0]=3 2204 B5R1.2 ClC1CCC1 MCULE-2602937313 [0,1,0,1,0,0|2,0,0]=4 2205 B5R1.2 ClC1CNC1 MCULE-2051705029 [0,1,0,1,0,0|1,0,0]=3 2206 B5R1.2 ClC1CNC1 MCULE-6678325694 [0,1,0,1,0,0|1,0,0]=3 2207 B5R1.2 ClC1COC1 MCULE-7266812470 [0,1,0,1,0,0|2,0,0]=4 2208 B5R1.2 FC1CNC1 MCULE-5746598794 [0,1,0,1,0,0|1,0,0]=3 2209 B5R1.2 FC1CNC1 MCULE-9427948721 [0,1,0,1,0,0|1,0,0]=3 2210 B5R1.2 FC1COC1 MCULE-7899811313 [0,1,0,1,0,0|2,0,0]=4 2211 B5R1.2 IC1CCC1 MCULE-3890796264 [0,1,0,1,0,0|2,0,0]=4 2212 B5R1.2 IC1CNC1 MCULE-5957681014 [0,1,0,1,0,0|1,0,0]=3 2213 B5R1.2 IC1CNC1 MCULE-7396587981 [0,1,0,1,0,0|1,0,0]=3 2214 B5R1.2 IC1COC1 MCULE-6736781201 [0,1,0,1,0,0|2,0,0]=4 2215 B5R1.2 NC1CCC1 MCULE-7511834789 [0,1,0,1,0,0|1,0,0]=3 2216 B5R1.2 NC1CCC1 MCULE-9118406840 [0,1,0,1,0,0|1,0,0]=3 2217 B5R1.2 NC1CNC1 MCULE-3069271350 [0,1,0,1,0,0|0,0,0]=2 2218 B5R1.2 NC1CNC1 MCULE-4785323807 [0,1,0,1,0,0|0,0,0]=2 2219 B5R1.2 NC1COC1 MCULE-3457998413 [0,1,0,1,0,0|1,0,0]=3 2220 B5R1.2 NC1COC1 MCULE-8439862131 [0,1,0,1,0,0|1,0,0]=3 2221 B5R1.2 NC1CSC1 MCULE-8155396913 [0,1,0,1,0,0|1,0,0]=3 2222 B5R1.2 NC1CSC1 MCULE-8463545676 [0,1,0,1,0,0|1,0,0]=3 2223 B5R1.2 NC1CSC1 MCULE-8920812656 [0,1,0,1,0,0|1,0,0]=3 2224 B5R1.2 NN1CCC1 MCULE-8176731673 [0,1,0,1,0,0|1,0,0]=3 2225 B5R1.2 NN1CCC1 MCULE-8382619719 [0,1,0,1,0,0|1,0,0]=3 2226 B5R1.2 O=C1CCC1 MCULE-4870967355 [0,1,0,1,0,0|2,0,0]=4 2227 B5R1.2 O=C1CCN1 MCULE-9053067221 [0,1,0,1,0,0|1,0,0]=3 2228 B5R1.2 O=C1CCO1 MCULE-1277069147 [0,1,0,1,0,0|2,0,0]=4 2229 B5R1.2 O=C1CNC1 MCULE-5171659870 [0,1,0,1,0,0|1,0,1]=4 2230 B5R1.2 O=C1CNC1 MCULE-8293494956 [0,1,0,1,0,0|1,0,1]=4 2231 B5R1.2 OC1CCC1 MCULE-2856311430 [0,1,0,1,0,0|2,0,0]=4 2232 B5R1.2 OC1CNC1 MCULE-3596383447 [0,1,0,1,0,0|1,0,0]=3 2233 B5R1.2 OC1CNC1 MCULE-7913518128 [0,1,0,1,0,0|1,0,0]=3 2234 B5R1.2 OC1COC1 MCULE-2630355859 [0,1,0,1,0,0|2,0,0]=4 2235 B5R1.2 OC1CSC1 MCULE-6759275460 [0,1,0,1,0,0|2,0,0]=4 2236 B5R1.2 SC1CCC1 MCULE-1779239394 [0,1,0,1,0,0|2,0,0]=4 2237 B5R1.2 SC1CNC1 MCULE-5823473779 [0,1,0,1,0,0|1,0,0]=3 2238 B5R1.2 SC1CNC1 MCULE-9002536698 [0,1,0,1,0,0|1,0,0]=3 2239 B5R1.2 SC1COC1 MCULE-2175099379 [0,1,0,1,0,0|2,0,0]=4 2240 B5R1.3 BrCC1CC1 MCULE-6057571576 [0,1,0,1,0,0|2,0,0]=4 2241 B5R1.3 BrCC1CO1 MCULE-1054784183 [0,1,0,1,0,0|2,0,0]=4 2242 B5R1.3 C#CC1CC1 MCULE-8413731516 [0,1,0,1,0,0|2,0,0]=4 2243 B5R1.3 C1(CO1)CCl MCULE-2239256431 [0,1,0,1,0,0|2,0,0]=4 2244 B5R1.3 C=CC1CC1 MCULE-4323158851 [0,1,0,1,0,0|2,0,0]=4 2245 B5R1.3 C=CC1CO1 MCULE-1428696186 [0,1,0,1,0,0|2,0,0]=4 2246 B5R1.3 CCC1CO1 MCULE-4316722229 [0,1,0,1,0,0|2,0,0]=4 2247 B5R1.3 CCC1CO1 MCULE-8341828978 [0,1,0,1,0,0|2,0,0]=4 2248 B5R1.3 CC[C@@H]1CO1 MCULE-4349820919 [0,1,0,1,0,0|2,0,0]=4 2249 B5R1.3 CC[C@@H]1CO1 MCULE-5929218989 [0,1,0,1,0,0|2,0,0]=4 2250 B5R1.3 CC[C@H]1CO1 MCULE-3647278168 [0,1,0,1,0,0|2,0,0]=4 2251 B5R1.3 CC[C@H]1CO1 MCULE-4369524443 [0,1,0,1,0,0|2,0,0]=4 2252 B5R1.3 CNC1CC1 MCULE-4055097650 [0,1,0,1,0,0|1,0,0]=3 2253 B5R1.3 CNC1CC1 MCULE-8040280524 [0,1,0,1,0,0|1,0,0]=3 2254 B5R1.3 ClCC1CC1 MCULE-3906493674 [0,1,0,1,0,0|2,0,0]=4 2255 B5R1.3 ClCC1CO1 MCULE-9759519789 [0,1,0,1,0,0|2,0,0]=4 2256 B5R1.3 ClCC1CS1 MCULE-7368175691 [0,1,0,1,0,0|2,0,0]=4 2257 B5R1.3 ClC[C@@H]1CO1 MCULE-8144448889 [0,1,0,1,0,0|2,0,0]=4 2258 B5R1.3 ClC[C@@H]1CO1 MCULE-8710235870 [0,1,0,1,0,0|2,0,0]=4 2259 B5R1.3 ClC[C@H]1CO1 MCULE-2316124162 [0,1,0,1,0,0|2,0,0]=4 2260 B5R1.3 ClC[C@H]1CO1 MCULE-6957304600 [0,1,0,1,0,0|2,0,0]=4 2261 B5R1.3 FCC1CO1 MCULE-6156138745 [0,1,0,1,0,0|2,0,0]=4 2262 B5R1.3 FC[C@@H]1CO1 MCULE-7477932707 [0,1,0,1,0,0|2,0,0]=4 2263 B5R1.3 FNC1CC1 MCULE-4155496114 [0,1,0,1,0,0|1,0,0]=3 2264 B5R1.3 ICC1CC1 MCULE-2390979991 [0,1,0,1,0,0|2,0,0]=4 2265 B5R1.3 ICC1CO1 MCULE-6993621560 [0,1,0,1,0,0|2,0,0]=4 2266 B5R1.3 N#CC1CC1 MCULE-1838359731 [0,1,0,1,0,0|1,0,1]=4 2267 B5R1.3 NCC1CC1 MCULE-5832294538 [0,1,0,1,0,0|1,0,0]=3 2268 B5R1.3 NCC1CC1 MCULE-9914994928 [0,1,0,1,0,0|1,0,0]=3 2269 B5R1.3 NNC1CC1 MCULE-3522729516 [0,1,0,1,0,0|1,0,0]=3 2270 B5R1.3 NNC1CC1 MCULE-7121199703 [0,1,0,1,0,0|1,0,0]=3 2271 B5R1.3 NNC1CC1 MCULE-8598538666 [0,1,0,1,0,0|1,0,0]=3 2272 B5R1.3 NOC1CC1 MCULE-5379816123 [0,1,0,1,0,0|1,0,0]=3 2273 B5R1.3 O=CC1CC1 MCULE-9773190262 [0,1,0,1,0,0|2,0,0]=4 2274 B5R1.3 OCC1CC1 MCULE-4492474357 [0,1,0,1,0,0|2,0,0]=4 2275 B5R1.3 OCC1CO1 MCULE-2158628585 [0,1,0,1,0,0|2,0,0]=4 2276 B5R1.3 OCC1CO1 MCULE-4063620133 [0,1,0,1,0,0|2,0,0]=4 2277 B5R1.3 OC[C@@H]1CO1 MCULE-4213198809 [0,1,0,1,0,0|2,0,0]=4 2278 B5R1.3 OC[C@@H]1CO1 MCULE-6922911793 [0,1,0,1,0,0|2,0,0]=4 2279 B5R1.3 OC[C@H]1CO1 MCULE-2018407404 [0,1,0,1,0,0|2,0,0]=4 2280 B5R1.3 OC[C@H]1CO1 MCULE-9773081927 [0,1,0,1,0,0|2,0,0]=4 2281 B5R1.3 SCC1CC1 MCULE-9557919804 [0,1,0,1,0,0|2,0,0]=4 2282 B5R1.3 [C@@H]1(CO1)C=C MCULE-9776744095 [0,1,0,1,0,0|2,0,0]=4 2283 B5R1.3 [C@H]1(CO1)C=C MCULE-7934901088 [0,1,0,1,0,0|2,0,0]=4 2284 B5R1.4 CC1CC1N MCULE-4472318973 [0,1,0,1,0,0|1,0,0]=3 2285 B5R1.4 CC1CC1N MCULE-8037315228 [0,1,0,1,0,0|1,0,0]=3 2286 B5R1.4 CC1CC1O MCULE-2006758475 [0,1,0,1,0,0|2,0,0]=4 2287 B5R1.4 CC1OC1C MCULE-9780363671 [0,1,0,1,0,0|2,0,0]=4 2288 B5R1.4 C[C@@H]1C[C@@H]1N MCULE-6282896395 [0,1,0,1,0,0|1,0,0]=3 2289 B5R1.4 C[C@@H]1C[C@H]1N MCULE-1526017761 [0,1,0,1,0,0|1,0,0]=3 2290 B5R1.4 C[C@@H]1C[C@H]1N MCULE-7111745511 [0,1,0,1,0,0|1,0,0]=3 2291 B5R1.4 C[C@@H]1C[C@H]1N MCULE-7879046644 [0,1,0,1,0,0|1,0,0]=3 2292 B5R1.4 C[C@@H]1C[C@H]1N MCULE-9805986423 [0,1,0,1,0,0|1,0,0]=3 2293 B5R1.4 C[C@@H]1O[C@@H]1C MCULE-4355544092 [0,1,0,1,0,0|2,0,0]=4 2294 B5R1.4 C[C@@H]1O[C@H]1C MCULE-1930253682 [0,1,0,1,0,0|2,0,0]=4 2295 B5R1.4 C[C@H]1C[C@@H]1N MCULE-9525222696 [0,1,0,1,0,0|1,0,0]=3 2296 B5R1.4 C[C@H]1C[C@@H]1N MCULE-9658987958 [0,1,0,1,0,0|1,0,0]=3 2297 B5R1.4 C[C@H]1C[C@H]1N MCULE-4953477750 [0,1,0,1,0,0|1,0,0]=3 2298 B5R1.4 C[C@H]1C[C@H]1N MCULE-6429810931 [0,1,0,1,0,0|1,0,0]=3 2299 B5R1.4 C[C@H]1O[C@@H]1C MCULE-4354089942 [0,1,0,1,0,0|2,0,0]=4 2300 B5R1.4 C[C@H]1O[C@@H]1C MCULE-7982793342 [0,1,0,1,0,0|2,0,0]=4 2301 B5R1.4 FC1CC1Br MCULE-9881614971 [0,1,0,1,0,0|2,0,0]=4 2302 B5R1.4 NC1CC1F MCULE-8246845073 [0,1,0,1,0,0|1,0,0]=3 2303 B5R1.4 NC1CC1F MCULE-9705431616 [0,1,0,1,0,0|1,0,0]=3 2304 B5R1.4 NC1CC1N MCULE-2596247889 [0,1,0,1,0,0|0,0,0]=2 2305 B5R1.4 NC1CC1N MCULE-7859500244 [0,1,0,1,0,0|0,0,0]=2 2306 B5R1.4 NC1CC1O MCULE-2677451452 [0,1,0,1,0,0|1,0,0]=3 2307 B5R1.4 NC1CC1O MCULE-2909581707 [0,1,0,1,0,0|1,0,0]=3 2308 B5R1.4 NC1C[C@@H]1F MCULE-6104198419 [0,1,0,1,0,0|1,0,0]=3 2309 B5R1.4 NC1C[C@@H]1F MCULE-8327037761 [0,1,0,1,0,0|1,0,0]=3 2310 B5R1.4 N[C@@H]1C[C@@H]1F MCULE-1523759808 [0,1,0,1,0,0|1,0,0]=3 2311 B5R1.4 N[C@@H]1C[C@@H]1F MCULE-1966857090 [0,1,0,1,0,0|1,0,0]=3 2312 B5R1.4 N[C@@H]1C[C@@H]1F MCULE-3541599795 [0,1,0,1,0,0|1,0,0]=3 2313 B5R1.4 N[C@@H]1C[C@@H]1F MCULE-8279324103 [0,1,0,1,0,0|1,0,0]=3 2314 B5R1.4 N[C@@H]1C[C@@H]1O MCULE-1950197706 [0,1,0,1,0,0|1,0,0]=3 2315 B5R1.4 N[C@@H]1C[C@H]1F MCULE-1379839035 [0,1,0,1,0,0|1,0,0]=3 2316 B5R1.4 N[C@@H]1C[C@H]1F MCULE-7084330140 [0,1,0,1,0,0|1,0,0]=3 2317 B5R1.4 N[C@@H]1C[C@H]1F MCULE-7552076798 [0,1,0,1,0,0|1,0,0]=3 2318 B5R1.4 N[C@@H]1C[C@H]1F MCULE-7897288338 [0,1,0,1,0,0|1,0,0]=3 2319 B5R1.4 N[C@@H]1C[C@H]1N MCULE-3447984641 [0,1,0,1,0,0|0,0,0]=2 2320 B5R1.4 N[C@@H]1C[C@H]1N MCULE-6823903337 [0,1,0,1,0,0|0,0,0]=2 2321 B5R1.4 N[C@@H]1C[C@H]1N MCULE-7464483331 [0,1,0,1,0,0|0,0,0]=2 2322 B5R1.4 N[C@@H]1C[C@H]1N MCULE-8962336863 [0,1,0,1,0,0|0,0,0]=2 2323 B5R1.4 N[C@@H]1C[C@H]1O MCULE-5188790849 [0,1,0,1,0,0|1,0,0]=3 2324 B5R1.4 N[C@@H]1C[C@H]1O MCULE-8531829585 [0,1,0,1,0,0|1,0,0]=3 2325 B5R1.4 N[C@H]1C[C@@H]1F MCULE-2098980306 [0,1,0,1,0,0|1,0,0]=3 2326 B5R1.4 N[C@H]1C[C@@H]1F MCULE-4142129455 [0,1,0,1,0,0|1,0,0]=3 2327 B5R1.4 N[C@H]1C[C@@H]1F MCULE-8616633135 [0,1,0,1,0,0|1,0,0]=3 2328 B5R1.4 N[C@H]1C[C@@H]1F MCULE-8788279695 [0,1,0,1,0,0|1,0,0]=3 2329 B5R1.4 N[C@H]1C[C@@H]1N MCULE-3374448650 [0,1,0,1,0,0|0,0,0]=2 2330 B5R1.4 N[C@H]1C[C@@H]1N MCULE-3782038729 [0,1,0,1,0,0|0,0,0]=2 2331 B5R1.4 N[C@H]1C[C@@H]1N MCULE-7583094160 [0,1,0,1,0,0|0,0,0]=2 2332 B5R1.4 N[C@H]1C[C@@H]1O MCULE-4699241997 [0,1,0,1,0,0|1,0,0]=3 2333 B5R1.4 N[C@H]1C[C@H]1F MCULE-1665232627 [0,1,0,1,0,0|1,0,0]=3 2334 B5R1.4 N[C@H]1C[C@H]1F MCULE-1941678287 [0,1,0,1,0,0|1,0,0]=3 2335 B5R1.4 N[C@H]1C[C@H]1F MCULE-3275343851 [0,1,0,1,0,0|1,0,0]=3 2336 B5R1.4 N[C@H]1C[C@H]1F MCULE-5308534229 [0,1,0,1,0,0|1,0,0]=3 2337 B5R1.4 N[C@H]1C[C@H]1N MCULE-1426528738 [0,1,0,1,0,0|0,0,0]=2 2338 B5R1.4 N[C@H]1C[C@H]1N MCULE-6003446819 [0,1,0,1,0,0|0,0,0]=2 2339 B5R1.4 N[C@H]1C[C@H]1O MCULE-3609246488 [0,1,0,1,0,0|1,0,0]=3 2340 B5R1.4 N[C@H]1C[C@H]1O MCULE-3860963329 [0,1,0,1,0,0|1,0,0]=3 2341 B5R1.4 [C@@H]1(C[C@H]1N)F MCULE-5118118569 [0,1,0,1,0,0|1,0,0]=3 2342 B5R1.4 [C@H]1(C[C@H]1F)N MCULE-1071128348 [0,1,0,1,0,0|1,0,0]=3 2343 B5R1.4 [C@H]1(C[C@H]1F)N MCULE-8956631145 [0,1,0,1,0,0|1,0,0]=3 2344 B5R1.5 CC1(CC1)Br MCULE-7741990197 [0,1,0,1,0,0|2,0,0]=4 2345 B5R1.5 CC1(CC1)N MCULE-5669720871 [0,1,0,1,0,0|1,0,0]=3 2346 B5R1.5 CC1(CC1)N MCULE-6964629714 [0,1,0,1,0,0|1,0,0]=3 2347 B5R1.5 CC1(CC1)O MCULE-8472680145 [0,1,0,1,0,0|2,0,0]=4 2348 B5R1.5 CC1(CN1)C MCULE-8452595493 [0,1,0,1,0,0|1,0,0]=3 2349 B5R1.5 CC1(CO1)C MCULE-4247049920 [0,1,0,1,0,0|2,0,0]=4 2350 B5R1.5 CC1(CS1)C MCULE-7579931452 [0,1,0,1,0,0|2,0,0]=4 2351 B5R1.5 ClC1(CC1)Cl MCULE-1245940379 [0,1,0,1,0,0|2,0,0]=4 2352 B5R1.5 NC1(CC1)O MCULE-6134507215 [0,1,0,1,0,0|1,0,0]=3 2353 B5R1.5 NC1(CC1)O MCULE-9233065159 [0,1,0,1,0,0|1,0,0]=3 2354 B5R1.1 B1CCOO1 MCULE-4859234466 [0,1,0,1,0,0|2,0,0]=4 2355 B5R1.1 C1=CCCC1 MCULE-8785635218 [0,1,0,1,0,0|2,0,0]=4 2356 B5R1.1 C1=CCNC1 MCULE-4645888757 [0,1,0,1,0,0|1,0,1]=4 2357 B5R1.1 C1=CCNC1 MCULE-7386427096 [0,1,0,1,0,0|1,0,1]=4 2358 B5R1.1 C1=CCOC1 MCULE-1252378718 [0,1,0,1,0,0|2,0,0]=4 2359 B5R1.1 C1=CCSC1 MCULE-7848219599 [0,1,0,1,0,0|2,0,0]=4 2360 B5R1.1 C1=COCC1 MCULE-7714726225 [0,1,0,1,0,0|2,0,0]=4 2361 B5R1.1 C1=NCCN1 MCULE-6281004177 [0,1,0,1,0,0|0,0,1]=3 2362 B5R1.1 C1=NNCC1 MCULE-2270087414 [0,1,0,1,0,0|0,0,1]=3 2363 B5R1.1 C1CCNC1 MCULE-2816679267 [0,1,0,1,0,0|1,0,0]=3 2364 B5R1.1 C1CCNC1 MCULE-8439725600 [0,1,0,1,0,0|1,0,0]=3 2365 B5R1.1 C1CCNC1 MCULE-8653165010 [0,1,0,1,0,0|1,0,0]=3 2366 B5R1.1 C1CCNC1 MCULE-9053007443 [0,1,0,1,0,0|1,0,0]=3 2367 B5R1.1 C1CCOC1 MCULE-3873245085 [0,1,0,1,0,0|2,0,0]=4 2368 B5R1.1 C1CCSC1 MCULE-4519380555 [0,1,0,1,0,0|2,0,0]=4 2369 B5R1.1 C1CNCN1 MCULE-6666768806 [0,1,0,1,0,0|0,0,0]=2 2370 B5R1.1 C1CNNC1 MCULE-9192384720 [0,1,0,1,0,0|0,0,0]=2 2371 B5R1.1 C1CNNC1 MCULE-9418244562 [0,1,0,1,0,0|0,0,0]=2 2372 B5R1.1 C1CNOC1 MCULE-3922840312 [0,1,0,1,0,0|1,0,0]=3 2373 B5R1.1 C1CNOC1 MCULE-6084499894 [0,1,0,1,0,0|1,0,0]=3 2374 B5R1.1 C1COCN1 MCULE-4693733872 [0,1,0,1,0,0|1,0,0]=3 2375 B5R1.1 C1COCO1 MCULE-3967810235 [0,1,0,1,0,0|2,0,0]=4 2376 B5R1.1 C1CSCN1 MCULE-1445529876 [0,1,0,1,0,0|1,0,0]=3 2377 B5R1.1 C1CSCN1 MCULE-8646299838 [0,1,0,1,0,0|1,0,0]=3 2378 B5R1.1 C1CSCS1 MCULE-2954642463 [0,1,0,1,0,0|2,0,0]=4 2379 B5R1.1 C1N=NNN1 MCULE-3350294262 [0,1,0,1,0,0|1,0,0]=3