0 B3R1.1 C1CC1 MCULE-3418833052 [0,0,0,0,0,0|0,0,0]=0 1 B3R1.1 C1CN1 MCULE-4736867570 [0,0,0,0,0,0|1,0,0]=1 2 B3R1.1 C1CS1 MCULE-2741112339 [0,0,0,0,0,0|1,0,0]=1 3 B4R1.2 BrC1CC1 MCULE-3656295609 [0,1,0,0,0,0|0,0,0]=1 4 B4R1.2 CC1CC1 MCULE-5909419916 [0,1,0,0,0,0|0,0,0]=1 5 B4R1.2 CC1CN1 MCULE-2953452695 [0,1,0,0,0,0|1,0,0]=2 6 B4R1.2 CC1CO1 MCULE-4799904973 [0,1,0,0,0,0|1,0,0]=2 7 B4R1.2 CC1CO1 MCULE-9508255430 [0,1,0,0,0,0|1,0,0]=2 8 B4R1.2 CC1CS1 MCULE-2534699321 [0,1,0,0,0,0|1,0,0]=2 9 B4R1.2 C[C@@H]1CO1 MCULE-5437340901 [0,1,0,0,0,0|1,0,0]=2 10 B4R1.2 C[C@@H]1CO1 MCULE-6874302400 [0,1,0,0,0,0|1,0,0]=2 11 B4R1.2 C[C@H]1CO1 MCULE-4667457959 [0,1,0,0,0,0|1,0,0]=2 12 B4R1.2 IC1CC1 MCULE-6043109265 [0,1,0,0,0,0|0,0,0]=1 13 B4R1.2 NC1CC1 MCULE-1933360330 [0,1,0,0,0,0|0,0,0]=1 14 B4R1.2 NC1CC1 MCULE-6187070220 [0,1,0,0,0,0|0,0,0]=1 15 B4R1.2 OC1CC1 MCULE-8237846154 [0,1,0,0,0,0|0,0,0]=1 16 B4R1.2 SC1CC1 MCULE-1371610395 [0,1,0,0,0,0|0,0,0]=1 17 B4R1.2 [C@@H]1(CN1)C MCULE-4079798985 [0,1,0,0,0,0|1,0,0]=2 18 B2R0.1 BrCBr MCULE-5148445055 [0,0,1,0,0,0|2,0,0]=3 19 B2R0.1 BrCI MCULE-5427209261 [0,0,1,0,0,0|2,0,0]=3 20 B2R0.1 C#CC MCULE-8346460782 [0,0,1,0,0,0|0,0,2]=3 21 B2R0.1 C=C=C MCULE-2040872097 [0,0,1,0,0,0|0,0,3]=4 22 B2R0.1 C=CBr MCULE-1481946455 [0,0,1,0,0,0|1,0,2]=4 23 B2R0.1 C=CC MCULE-5223715076 [0,0,1,0,0,0|0,0,2]=3 24 B2R0.1 C=CCl MCULE-9678046268 [0,0,1,0,0,0|1,0,2]=4 25 B2R0.1 C=CI MCULE-2939062322 [0,0,1,0,0,0|1,0,2]=4 26 B2R0.1 C=CO MCULE-8167566239 [0,0,1,0,0,0|1,0,2]=4 27 B2R0.1 C=NN MCULE-4427606079 [0,0,1,0,0,0|2,0,1]=4 28 B2R0.1 C=NO MCULE-1312312591 [0,0,1,0,0,0|2,0,1]=4 29 B2R0.1 C=NO MCULE-7599902650 [0,0,1,0,0,0|2,0,1]=4 30 B2R0.1 CC#N MCULE-8803543318 [0,0,1,0,0,0|1,0,1]=3 31 B2R0.1 CC=O MCULE-6002254510 [0,0,1,0,0,0|1,0,1]=3 32 B2R0.1 CC=O MCULE-6800925955 [0,0,1,0,0,0|1,0,1]=3 33 B2R0.1 CCBr MCULE-9840669634 [0,0,1,0,0,0|1,0,0]=2 34 B2R0.1 CCC MCULE-7179517367 [0,0,1,0,0,0|0,0,0]=1 35 B2R0.1 CCCl MCULE-8087909182 [0,0,1,0,0,0|1,0,0]=2 36 B2R0.1 CCI MCULE-9405436513 [0,0,1,0,0,0|1,0,0]=2 37 B2R0.1 CCN MCULE-1774065508 [0,0,1,0,0,0|1,0,0]=2 38 B2R0.1 CCN MCULE-5999638632 [0,0,1,0,0,0|1,0,0]=2 39 B2R0.1 CCN MCULE-6233823811 [0,0,1,0,0,0|1,0,0]=2 40 B2R0.1 CCN MCULE-6444557204 [0,0,1,0,0,0|1,0,0]=2 41 B2R0.1 CCO MCULE-8818474596 [0,0,1,0,0,0|1,0,0]=2 42 B2R0.1 CCS MCULE-5717309901 [0,0,1,0,0,0|1,0,0]=2 43 B2R0.1 CNC MCULE-2809467532 [0,0,1,0,0,0|1,0,0]=2 44 B2R0.1 CNN MCULE-6163742401 [0,0,1,0,0,0|2,0,0]=3 45 B2R0.1 CNN MCULE-7217348217 [0,0,1,0,0,0|2,0,0]=3 46 B2R0.1 CNN MCULE-9086529736 [0,0,1,0,0,0|2,0,0]=3 47 B2R0.1 CNO MCULE-5310203084 [0,0,1,0,0,0|2,0,0]=3 48 B2R0.1 CNO MCULE-7072005453 [0,0,1,0,0,0|2,0,0]=3 49 B2R0.1 COC MCULE-4385003255 [0,0,1,0,0,0|1,0,0]=2 50 B2R0.1 CON MCULE-1068458971 [0,0,1,0,0,0|2,0,0]=3 51 B2R0.1 CON MCULE-8687558307 [0,0,1,0,0,0|2,0,0]=3 52 B2R0.1 CO[NH3+] MCULE-6631452734 [0,0,1,0,0,0|2,0,0]=3 53 B2R0.1 CO[NH3+] MCULE-9975010969 [0,0,1,0,0,0|2,0,0]=3 54 B2R0.1 CSC MCULE-4525381422 [0,0,1,0,0,0|1,0,0]=2 55 B2R0.1 C[Se]C MCULE-5369504805 [0,0,1,0,0,0|1,0,0]=2 56 B2R0.1 ClCBr MCULE-5030719866 [0,0,1,0,0,0|2,0,0]=3 57 B2R0.1 ClCCl MCULE-1114735075 [0,0,1,0,0,0|2,0,0]=3 58 B2R0.1 ClCI MCULE-1762372626 [0,0,1,0,0,0|2,0,0]=3 59 B2R0.1 FCF MCULE-9775386185 [0,0,1,0,0,0|2,0,0]=3 60 B2R0.1 FCI MCULE-4283244074 [0,0,1,0,0,0|2,0,0]=3 61 B2R0.1 ICI MCULE-8023612181 [0,0,1,0,0,0|2,0,0]=3 62 B2R0.1 N#CBr MCULE-3513077125 [0,0,1,0,0,0|2,0,1]=4 63 B2R0.1 N#CCl MCULE-4403226252 [0,0,1,0,0,0|2,0,1]=4 64 B2R0.1 N#CN MCULE-9026610515 [0,0,1,0,0,0|2,0,1]=4 65 B2R0.1 N#CO MCULE-7459250889 [0,0,1,0,0,0|2,0,1]=4 66 B2R0.1 N#CS MCULE-2320088521 [0,0,1,0,0,0|2,0,1]=4 67 B2R0.1 N#CS MCULE-9925206507 [0,0,1,0,0,0|2,0,1]=4 68 B2R0.1 N#C[Ag] MCULE-5002634734 [0,0,1,0,0,0|2,0,1]=4 69 B2R0.1 N#C[Cu] MCULE-1927475603 [0,0,1,0,0,0|2,0,1]=4 70 B2R0.1 N#C[K] MCULE-3386691242 [0,0,1,0,0,0|2,0,1]=4 71 B2R0.1 N#C[Na] MCULE-8224219580 [0,0,1,0,0,0|2,0,1]=4 72 B2R0.1 N#C[O-] MCULE-3410618080 [0,0,1,0,0,0|2,0,1]=4 73 B2R0.1 N#C[S-] MCULE-1340634414 [0,0,1,0,0,0|2,0,1]=4 74 B2R0.1 N#N=[N-] MCULE-1504891905 [0,0,1,0,0,0|3,0,0]=4 75 B2R0.1 N=C=O MCULE-6805056266 [0,0,1,0,0,0|2,0,1]=4 76 B2R0.1 N=CN MCULE-3312866825 [0,0,1,0,0,0|2,0,1]=4 77 B2R0.1 N=CN MCULE-4184922761 [0,0,1,0,0,0|2,0,1]=4 78 B2R0.1 N=CN MCULE-8637660949 [0,0,1,0,0,0|2,0,1]=4 79 B2R0.1 NC=O MCULE-1633954643 [0,0,1,0,0,0|2,0,1]=4 80 B2R0.1 NC=O MCULE-4202420620 [0,0,1,0,0,0|2,0,1]=4 81 B2R0.1 NC=S MCULE-9004645073 [0,0,1,0,0,0|2,0,1]=4 82 B2R0.1 NC=[NH2+] MCULE-1491590547 [0,0,1,0,0,0|2,0,1]=4 83 B2R0.1 NCN MCULE-1911584441 [0,0,1,0,0,0|2,0,0]=3 84 B2R0.1 NCN MCULE-5032116024 [0,0,1,0,0,0|2,0,0]=3 85 B2R0.1 O=BO MCULE-1752281859 [0,0,1,0,0,0|3,0,0]=4 86 B2R0.1 O=CO MCULE-7175589186 [0,0,1,0,0,0|2,0,1]=4 87 B2R0.1 O=C[O-] MCULE-2970986504 [0,0,1,0,0,0|2,0,1]=4 88 B2R0.1 O=C[O-] MCULE-3867870864 [0,0,1,0,0,0|2,0,1]=4 89 B2R0.1 O=C[O-] MCULE-4029930501 [0,0,1,0,0,0|2,0,1]=4 90 B2R0.1 O=NO MCULE-6927518919 [0,0,1,0,0,0|3,0,0]=4 91 B2R0.1 O=N[O-] MCULE-3257981536 [0,0,1,0,0,0|3,0,0]=4 92 B2R0.1 O=N[O-] MCULE-7337131268 [0,0,1,0,0,0|3,0,0]=4 93 B2R0.1 O=PO MCULE-5287418544 [0,0,1,0,0,0|3,0,0]=4 94 B2R0.1 O=P[O-] MCULE-3840413517 [0,0,1,0,0,0|3,0,0]=4 95 B2R0.1 O=P[O-] MCULE-8243944513 [0,0,1,0,0,0|3,0,0]=4 96 B2R0.1 O=S=O MCULE-5418662043 [0,0,1,0,0,0|3,0,0]=4 97 B2R0.1 O=[Ge]=O MCULE-2024233522 [0,0,1,0,0,0|2,1,0]=4 98 B2R0.1 O=[N+]=O MCULE-8164521024 [0,0,1,0,0,0|3,0,0]=4 99 B2R0.1 O=[Se]=O MCULE-7119785212 [0,0,1,0,0,0|3,0,0]=4 100 B2R0.1 O=[Si]=O MCULE-2341844083 [0,0,1,0,0,0|2,1,0]=4 101 B2R0.1 O=[Te]=O MCULE-4837785402 [0,0,1,0,0,0|3,0,0]=4 102 B2R0.1 OBO MCULE-8455181481 [0,0,1,0,0,0|3,0,0]=4 103 B2R0.1 OPO MCULE-1346196691 [0,0,1,0,0,0|3,0,0]=4 104 B2R0.1 OPO MCULE-5673098193 [0,0,1,0,0,0|3,0,0]=4 105 B2R0.1 S=C=S MCULE-8806338867 [0,0,1,0,0,0|2,0,1]=4 106 B2R0.1 S=[Ge]=S MCULE-5333336219 [0,0,1,0,0,0|2,1,0]=4 107 B2R0.1 S=[Se]=S MCULE-6773401157 [0,0,1,0,0,0|3,0,0]=4 108 B2R0.1 S=[Si]=S MCULE-6039044614 [0,0,1,0,0,0|2,1,0]=4 109 B2R0.1 [BH3-]C#N MCULE-1837794750 [0,0,1,0,0,0|2,0,1]=4 110 B2R0.1 [BH3-]C#N MCULE-4224216892 [0,0,1,0,0,0|2,0,1]=4 111 B2R0.1 [O-]PO MCULE-2811495269 [0,0,1,0,0,0|3,0,0]=4 112 B2R0.1 [O-]PO MCULE-6918966731 [0,0,1,0,0,0|3,0,0]=4 113 B2R0.1 [Se]=[Ge]=[Se] MCULE-1049519526 [0,0,1,0,0,0|2,1,0]=4 114 B4R1.1 C1CNC1 MCULE-2817120281 [0,0,0,0,0,1|0,0,0]=1 115 B4R1.1 C1CNC1 MCULE-5348168818 [0,0,0,0,0,1|0,0,0]=1 116 B4R1.1 C1COC1 MCULE-4105779148 [0,0,0,0,0,1|0,0,0]=1 117 B4R1.1 C1CSC1 MCULE-2361125802 [0,0,0,0,0,1|0,0,0]=1 118 B1R0.1 B#N MCULE-8159199519 [1,0,1,0,0,0|2,0,0]=4 119 B1R0.1 BB MCULE-2371255947 [1,0,1,0,0,0|2,0,0]=4 120 B1R0.1 BrI MCULE-5496994170 [1,0,1,0,0,0|2,0,0]=4 121 B1R0.1 C=C MCULE-9947181734 [1,0,1,0,0,0|0,0,2]=4 122 B1R0.1 C=O MCULE-1476806907 [1,0,1,0,0,0|1,0,1]=4 123 B1R0.1 CBr MCULE-1876139964 [1,0,1,0,0,0|1,0,0]=3 124 B1R0.1 CC MCULE-8677953674 [1,0,1,0,0,0|0,0,0]=2 125 B1R0.1 CCl MCULE-5688128737 [1,0,1,0,0,0|1,0,0]=3 126 B1R0.1 CI MCULE-1718786667 [1,0,1,0,0,0|1,0,0]=3 127 B1R0.1 CN MCULE-1379281060 [1,0,1,0,0,0|1,0,0]=3 128 B1R0.1 CN MCULE-4450712424 [1,0,1,0,0,0|1,0,0]=3 129 B1R0.1 CO MCULE-1370061678 [1,0,1,0,0,0|1,0,0]=3 130 B1R0.1 C[NH3+] MCULE-5634967688 [1,0,1,0,0,0|1,0,0]=3 131 B1R0.1 C[NH3+] MCULE-7322614094 [1,0,1,0,0,0|1,0,0]=3 132 B1R0.1 ClI MCULE-2019940435 [1,0,1,0,0,0|2,0,0]=4 133 B1R0.1 II MCULE-3297948557 [1,0,1,0,0,0|2,0,0]=4 134 B1R0.1 II MCULE-5919576729 [1,0,1,0,0,0|2,0,0]=4 135 B1R0.1 N#P MCULE-2639766952 [1,0,1,0,0,0|2,0,0]=4 136 B1R0.1 N#[O+] MCULE-9241712465 [1,0,1,0,0,0|2,0,0]=4 137 B1R0.1 NN MCULE-1877427268 [1,0,1,0,0,0|2,0,0]=4 138 B1R0.1 NN MCULE-3450177274 [1,0,1,0,0,0|2,0,0]=4 139 B1R0.1 NN MCULE-4551624625 [1,0,1,0,0,0|2,0,0]=4 140 B1R0.1 NN MCULE-5020139420 [1,0,1,0,0,0|2,0,0]=4 141 B1R0.1 NN MCULE-8417340168 [1,0,1,0,0,0|2,0,0]=4 142 B1R0.1 NO MCULE-3913133443 [1,0,1,0,0,0|2,0,0]=4 143 B1R0.1 NO MCULE-6591509478 [1,0,1,0,0,0|2,0,0]=4 144 B1R0.1 OO MCULE-7159374318 [1,0,1,0,0,0|2,0,0]=4 145 B1R0.1 S=[Se] MCULE-6787169379 [1,0,1,0,0,0|2,0,0]=4 146 B1R0.1 SS MCULE-7607247045 [1,0,1,0,0,0|2,0,0]=4 147 B1R0.1 [NH3+]O MCULE-8258329819 [1,0,1,0,0,0|2,0,0]=4 148 B1R0.1 [NH3+]O MCULE-9305003292 [1,0,1,0,0,0|2,0,0]=4 149 B3R0.1 BrCCBr MCULE-7586462642 [0,1,1,0,0,0|1,0,0]=3 150 B3R0.1 BrCCI MCULE-8691237057 [0,1,1,0,0,0|1,0,0]=3 151 B3R0.1 C#CCBr MCULE-7634822695 [0,1,1,0,0,0|0,0,2]=4 152 B3R0.1 C#CCC MCULE-8090253856 [0,1,1,0,0,0|0,0,1]=3 153 B3R0.1 C#CCCl MCULE-8379017189 [0,1,1,0,0,0|0,0,2]=4 154 B3R0.1 C#CCN MCULE-3201948975 [0,1,1,0,0,0|0,0,2]=4 155 B3R0.1 C#CCN MCULE-6286515491 [0,1,1,0,0,0|0,0,2]=4 156 B3R0.1 C#CCO MCULE-3909200923 [0,1,1,0,0,0|0,0,2]=4 157 B3R0.1 C/B=N/O MCULE-5227399299 [0,1,1,0,0,0|2,0,0]=4 158 B3R0.1 C/C=C/Br MCULE-4076369660 [0,1,1,0,0,0|0,0,2]=4 159 B3R0.1 C/C=N/O MCULE-2376410404 [0,1,1,0,0,0|1,0,1]=4 160 B3R0.1 C=CCBr MCULE-9486454833 [0,1,1,0,0,0|0,0,2]=4 161 B3R0.1 C=CCC MCULE-8167907130 [0,1,1,0,0,0|0,0,1]=3 162 B3R0.1 C=CCCl MCULE-4067772785 [0,1,1,0,0,0|0,0,2]=4 163 B3R0.1 C=CCF MCULE-7783191980 [0,1,1,0,0,0|0,0,2]=4 164 B3R0.1 C=CCI MCULE-5037698873 [0,1,1,0,0,0|0,0,2]=4 165 B3R0.1 C=CCN MCULE-2424616806 [0,1,1,0,0,0|0,0,2]=4 166 B3R0.1 C=CCN MCULE-2473480946 [0,1,1,0,0,0|0,0,2]=4 167 B3R0.1 C=CCO MCULE-2145308838 [0,1,1,0,0,0|0,0,2]=4 168 B3R0.1 C=CCS MCULE-7270484838 [0,1,1,0,0,0|0,0,2]=4 169 B3R0.1 C=COC MCULE-4880746684 [0,1,1,0,0,0|0,0,2]=4 170 B3R0.1 CC#CC MCULE-3721942346 [0,1,1,0,0,0|0,0,1]=3 171 B3R0.1 CC#CI MCULE-4817406645 [0,1,1,0,0,0|0,0,2]=4 172 B3R0.1 CC=CBr MCULE-2098755460 [0,1,1,0,0,0|0,0,2]=4 173 B3R0.1 CC=CCl MCULE-9225887510 [0,1,1,0,0,0|0,0,2]=4 174 B3R0.1 CC=NO MCULE-9761317381 [0,1,1,0,0,0|1,0,1]=4 175 B3R0.1 CCC#N MCULE-9484970536 [0,1,1,0,0,0|0,0,1]=3 176 B3R0.1 CCC=O MCULE-4079744837 [0,1,1,0,0,0|0,0,1]=3 177 B3R0.1 CCCBr MCULE-2393970713 [0,1,1,0,0,0|0,0,0]=2 178 B3R0.1 CCCC MCULE-9760497805 [0,1,1,0,0,0|0,0,0]=2 179 B3R0.1 CCCCl MCULE-3496412829 [0,1,1,0,0,0|0,0,0]=2 180 B3R0.1 CCCF MCULE-8540338768 [0,1,1,0,0,0|0,0,0]=2 181 B3R0.1 CCCI MCULE-1721488805 [0,1,1,0,0,0|0,0,0]=2 182 B3R0.1 CCCN MCULE-2885523792 [0,1,1,0,0,0|0,0,0]=2 183 B3R0.1 CCCN MCULE-4318907091 [0,1,1,0,0,0|0,0,0]=2 184 B3R0.1 CCCN MCULE-6330457870 [0,1,1,0,0,0|0,0,0]=2 185 B3R0.1 CCCN MCULE-7146820007 [0,1,1,0,0,0|0,0,0]=2 186 B3R0.1 CCCO MCULE-6252105126 [0,1,1,0,0,0|0,0,0]=2 187 B3R0.1 CCCS MCULE-8267649092 [0,1,1,0,0,0|0,0,0]=2 188 B3R0.1 CCNC MCULE-7215376398 [0,1,1,0,0,0|0,0,0]=2 189 B3R0.1 CCNC MCULE-9811899205 [0,1,1,0,0,0|0,0,0]=2 190 B3R0.1 CCNN MCULE-4753127904 [0,1,1,0,0,0|1,0,0]=3 191 B3R0.1 CCNN MCULE-7630363192 [0,1,1,0,0,0|1,0,0]=3 192 B3R0.1 CCNN MCULE-8402230944 [0,1,1,0,0,0|1,0,0]=3 193 B3R0.1 CCNO MCULE-1215586669 [0,1,1,0,0,0|1,0,0]=3 194 B3R0.1 CCNO MCULE-7075818857 [0,1,1,0,0,0|1,0,0]=3 195 B3R0.1 CCON MCULE-5316082054 [0,1,1,0,0,0|1,0,0]=3 196 B3R0.1 CCON MCULE-6621418839 [0,1,1,0,0,0|1,0,0]=3 197 B3R0.1 CCO[NH3+] MCULE-7670481464 [0,1,1,0,0,0|1,0,0]=3 198 B3R0.1 CCO[NH3+] MCULE-7871083232 [0,1,1,0,0,0|1,0,0]=3 199 B3R0.1 CCSC MCULE-6944750263 [0,1,1,0,0,0|0,0,0]=2 200 B3R0.1 CN=C=O MCULE-7764606582 [0,1,1,0,0,0|1,0,1]=4 201 B3R0.1 CN=C=S MCULE-6174235995 [0,1,1,0,0,0|1,0,1]=4 202 B3R0.1 CNC#N MCULE-9135475289 [0,1,1,0,0,0|1,0,1]=4 203 B3R0.1 CNC=O MCULE-4739122677 [0,1,1,0,0,0|1,0,1]=4 204 B3R0.1 CNC=S MCULE-1018523469 [0,1,1,0,0,0|1,0,1]=4 205 B3R0.1 CNNC MCULE-5932476941 [0,1,1,0,0,0|1,0,0]=3 206 B3R0.1 CNNC MCULE-6419598860 [0,1,1,0,0,0|1,0,0]=3 207 B3R0.1 CNOC MCULE-1706082503 [0,1,1,0,0,0|1,0,0]=3 208 B3R0.1 CNOC MCULE-6224540090 [0,1,1,0,0,0|1,0,0]=3 209 B3R0.1 COC=O MCULE-9122749354 [0,1,1,0,0,0|1,0,1]=4 210 B3R0.1 COCBr MCULE-2566721472 [0,1,1,0,0,0|1,0,0]=3 211 B3R0.1 COCCl MCULE-5928768006 [0,1,1,0,0,0|1,0,0]=3 212 B3R0.1 COCI MCULE-5215132549 [0,1,1,0,0,0|1,0,0]=3 213 B3R0.1 CSC#N MCULE-3677411130 [0,1,1,0,0,0|1,0,1]=4 214 B3R0.1 CSCCl MCULE-1281800596 [0,1,1,0,0,0|1,0,0]=3 215 B3R0.1 CSSC MCULE-7451882535 [0,1,1,0,0,0|1,0,0]=3 216 B3R0.1 C[Se][Se]C MCULE-1189700302 [0,1,1,0,0,0|1,0,0]=3 217 B3R0.1 ClCCBr MCULE-3933774075 [0,1,1,0,0,0|1,0,0]=3 218 B3R0.1 ClCCCl MCULE-3493741440 [0,1,1,0,0,0|1,0,0]=3 219 B3R0.1 ClCCI MCULE-7847880962 [0,1,1,0,0,0|1,0,0]=3 220 B3R0.1 FCCBr MCULE-3117974140 [0,1,1,0,0,0|1,0,0]=3 221 B3R0.1 FCCCl MCULE-1862981403 [0,1,1,0,0,0|1,0,0]=3 222 B3R0.1 FCCF MCULE-1975194621 [0,1,1,0,0,0|1,0,0]=3 223 B3R0.1 FCCI MCULE-3689313503 [0,1,1,0,0,0|1,0,0]=3 224 B3R0.1 ICCI MCULE-8025471988 [0,1,1,0,0,0|1,0,0]=3 225 B3R0.1 N#CCBr MCULE-3684255203 [0,1,1,0,0,0|1,0,1]=4 226 B3R0.1 N#CCCl MCULE-5316147295 [0,1,1,0,0,0|1,0,1]=4 227 B3R0.1 N#CCF MCULE-7784616816 [0,1,1,0,0,0|1,0,1]=4 228 B3R0.1 N#CCI MCULE-4005602243 [0,1,1,0,0,0|1,0,1]=4 229 B3R0.1 N#CCN MCULE-6677928349 [0,1,1,0,0,0|1,0,1]=4 230 B3R0.1 N#CCN MCULE-6699419972 [0,1,1,0,0,0|1,0,1]=4 231 B3R0.1 NCCBr MCULE-3401124597 [0,1,1,0,0,0|1,0,0]=3 232 B3R0.1 NCCBr MCULE-6215378497 [0,1,1,0,0,0|1,0,0]=3 233 B3R0.1 NCCCl MCULE-1458699843 [0,1,1,0,0,0|1,0,0]=3 234 B3R0.1 NCCCl MCULE-6944306112 [0,1,1,0,0,0|1,0,0]=3 235 B3R0.1 NCCF MCULE-1670520169 [0,1,1,0,0,0|1,0,0]=3 236 B3R0.1 NCCF MCULE-4963351029 [0,1,1,0,0,0|1,0,0]=3 237 B3R0.1 NCCI MCULE-6905308399 [0,1,1,0,0,0|1,0,0]=3 238 B3R0.1 NCCI MCULE-7487764362 [0,1,1,0,0,0|1,0,0]=3 239 B3R0.1 NCCN MCULE-4740333723 [0,1,1,0,0,0|1,0,0]=3 240 B3R0.1 NCCN MCULE-6795272853 [0,1,1,0,0,0|1,0,0]=3 241 B3R0.1 NCCN MCULE-8304126024 [0,1,1,0,0,0|1,0,0]=3 242 B3R0.1 NCCN MCULE-8325612144 [0,1,1,0,0,0|1,0,0]=3 243 B3R0.1 NCCO MCULE-5175116598 [0,1,1,0,0,0|1,0,0]=3 244 B3R0.1 NCCO MCULE-8624730373 [0,1,1,0,0,0|1,0,0]=3 245 B3R0.1 NCCS MCULE-1838427828 [0,1,1,0,0,0|1,0,0]=3 246 B3R0.1 NCCS MCULE-2418938683 [0,1,1,0,0,0|1,0,0]=3 247 B3R0.1 O=CCBr MCULE-9076011270 [0,1,1,0,0,0|1,0,1]=4 248 B3R0.1 O=CCCl MCULE-7307216184 [0,1,1,0,0,0|1,0,1]=4 249 B3R0.1 O=CCI MCULE-1146810366 [0,1,1,0,0,0|1,0,1]=4 250 B3R0.1 OCCBr MCULE-5097256006 [0,1,1,0,0,0|1,0,0]=3 251 B3R0.1 OCCCl MCULE-5139580173 [0,1,1,0,0,0|1,0,0]=3 252 B3R0.1 OCCF MCULE-7590677201 [0,1,1,0,0,0|1,0,0]=3 253 B3R0.1 OCCI MCULE-8359750387 [0,1,1,0,0,0|1,0,0]=3 254 B3R0.1 OCCO MCULE-6366313128 [0,1,1,0,0,0|1,0,0]=3 255 B3R0.1 OCCS MCULE-2252943288 [0,1,1,0,0,0|1,0,0]=3 256 B3R0.1 PCCP MCULE-2159678577 [0,1,1,0,0,0|1,0,0]=3 257 B3R0.1 SCCBr MCULE-5899941299 [0,1,1,0,0,0|1,0,0]=3 258 B3R0.1 SCCS MCULE-8277435664 [0,1,1,0,0,0|1,0,0]=3 259 B3R0.1 [NH3+]CCS MCULE-6407472407 [0,1,1,0,0,0|1,0,0]=3 260 B3R0.1 [NH3+]CC[NH3+] MCULE-5313549416 [0,1,1,0,0,0|1,0,0]=3 261 B3R0.2 BN(C)C MCULE-2470964161 [0,1,1,0,0,0|1,0,0]=3 262 B3R0.2 BrC(Br)Br MCULE-3687875829 [0,1,1,0,0,0|2,0,0]=4 263 B3R0.2 C=C(C)Br MCULE-7805530064 [0,1,1,0,0,0|0,0,2]=4 264 B3R0.2 C=C(C)C MCULE-5640095130 [0,1,1,0,0,0|0,0,1]=3 265 B3R0.2 C=C(C)Cl MCULE-1752401095 [0,1,1,0,0,0|0,0,2]=4 266 B3R0.2 C=C(C)F MCULE-3213198231 [0,1,1,0,0,0|0,0,2]=4 267 B3R0.2 C=[N+](C)C MCULE-4450980212 [0,1,1,0,0,0|1,0,0]=3 268 B3R0.2 C=[N+](C)C MCULE-5309464837 [0,1,1,0,0,0|1,0,0]=3 269 B3R0.2 C=[N+](C)C MCULE-9321779445 [0,1,1,0,0,0|1,0,0]=3 270 B3R0.2 CB(O)O MCULE-3510763826 [0,1,1,0,0,0|2,0,0]=4 271 B3R0.2 CC(=N)N MCULE-3235425606 [0,1,1,0,0,0|1,0,1]=4 272 B3R0.2 CC(=N)N MCULE-3546679379 [0,1,1,0,0,0|1,0,1]=4 273 B3R0.2 CC(=N)N MCULE-3597638887 [0,1,1,0,0,0|1,0,1]=4 274 B3R0.2 CC(=N)N MCULE-9831274654 [0,1,1,0,0,0|1,0,1]=4 275 B3R0.2 CC(=O)Br MCULE-4892265063 [0,1,1,0,0,0|1,0,1]=4 276 B3R0.2 CC(=O)C MCULE-6679625040 [0,1,1,0,0,0|0,0,1]=3 277 B3R0.2 CC(=O)Cl MCULE-9041746362 [0,1,1,0,0,0|1,0,1]=4 278 B3R0.2 CC(=O)I MCULE-4812718701 [0,1,1,0,0,0|1,0,1]=4 279 B3R0.2 CC(=O)N MCULE-9280264861 [0,1,1,0,0,0|1,0,1]=4 280 B3R0.2 CC(=O)O MCULE-1502330578 [0,1,1,0,0,0|1,0,1]=4 281 B3R0.2 CC(=O)O MCULE-5514028500 [0,1,1,0,0,0|1,0,1]=4 282 B3R0.2 CC(=O)O MCULE-5942589566 [0,1,1,0,0,0|1,0,1]=4 283 B3R0.2 CC(=O)O MCULE-6780070129 [0,1,1,0,0,0|1,0,1]=4 284 B3R0.2 CC(=O)O MCULE-8295936189 [0,1,1,0,0,0|1,0,1]=4 285 B3R0.2 CC(=O)O MCULE-9103972283 [0,1,1,0,0,0|1,0,1]=4 286 B3R0.2 CC(=O)O MCULE-9900518424 [0,1,1,0,0,0|1,0,1]=4 287 B3R0.2 CC(=O)S MCULE-5769447035 [0,1,1,0,0,0|1,0,1]=4 288 B3R0.2 CC(=O)[O-] MCULE-2314460022 [0,1,1,0,0,0|1,0,1]=4 289 B3R0.2 CC(=O)[O-] MCULE-2960771771 [0,1,1,0,0,0|1,0,1]=4 290 B3R0.2 CC(=O)[O-] MCULE-5334052410 [0,1,1,0,0,0|1,0,1]=4 291 B3R0.2 CC(=O)[O-] MCULE-5482908386 [0,1,1,0,0,0|1,0,1]=4 292 B3R0.2 CC(=O)[O-] MCULE-9723570182 [0,1,1,0,0,0|1,0,1]=4 293 B3R0.2 CC(=O)[O-] MCULE-9910426896 [0,1,1,0,0,0|1,0,1]=4 294 B3R0.2 CC(=S)N MCULE-4635097605 [0,1,1,0,0,0|1,0,1]=4 295 B3R0.2 CC(=S)[O-] MCULE-1878530758 [0,1,1,0,0,0|1,0,1]=4 296 B3R0.2 CC(Br)Br MCULE-3156450089 [0,1,1,0,0,0|1,0,0]=3 297 B3R0.2 CC(C)Br MCULE-4068304617 [0,1,1,0,0,0|0,0,0]=2 298 B3R0.2 CC(C)C MCULE-6616676274 [0,1,1,0,0,0|0,0,0]=2 299 B3R0.2 CC(C)Cl MCULE-3190141598 [0,1,1,0,0,0|0,0,0]=2 300 B3R0.2 CC(C)F MCULE-5333357055 [0,1,1,0,0,0|0,0,0]=2 301 B3R0.2 CC(C)I MCULE-6151711033 [0,1,1,0,0,0|0,0,0]=2 302 B3R0.2 CC(C)N MCULE-1048799006 [0,1,1,0,0,0|0,0,0]=2 303 B3R0.2 CC(C)N MCULE-1125416142 [0,1,1,0,0,0|0,0,0]=2 304 B3R0.2 CC(C)N MCULE-2418429353 [0,1,1,0,0,0|0,0,0]=2 305 B3R0.2 CC(C)N MCULE-7280647435 [0,1,1,0,0,0|0,0,0]=2 306 B3R0.2 CC(C)O MCULE-6646752234 [0,1,1,0,0,0|0,0,0]=2 307 B3R0.2 CC(C)S MCULE-8283942088 [0,1,1,0,0,0|0,0,0]=2 308 B3R0.2 CC(Cl)Br MCULE-6166388747 [0,1,1,0,0,0|1,0,0]=3 309 B3R0.2 CC(Cl)Cl MCULE-2444543893 [0,1,1,0,0,0|1,0,0]=3 310 B3R0.2 CC(F)Cl MCULE-1350283946 [0,1,1,0,0,0|1,0,0]=3 311 B3R0.2 CC(F)F MCULE-1642052461 [0,1,1,0,0,0|1,0,0]=3 312 B3R0.2 CN(=O)=O MCULE-8704524604 [0,1,1,0,0,0|2,0,0]=4 313 B3R0.2 CN(C)C MCULE-5179437979 [0,1,1,0,0,0|1,0,0]=3 314 B3R0.2 CN(C)C MCULE-6816696733 [0,1,1,0,0,0|1,0,0]=3 315 B3R0.2 CN(C)C MCULE-7903544426 [0,1,1,0,0,0|1,0,0]=3 316 B3R0.2 CN(C)N MCULE-7177216911 [0,1,1,0,0,0|1,0,0]=3 317 B3R0.2 CN(C)N MCULE-8775366011 [0,1,1,0,0,0|1,0,0]=3 318 B3R0.2 CN(C)O MCULE-6572915706 [0,1,1,0,0,0|1,0,0]=3 319 B3R0.2 CN(C)O MCULE-6950647562 [0,1,1,0,0,0|1,0,0]=3 320 B3R0.2 CP(=O)C MCULE-6150886622 [0,1,1,0,0,0|1,0,0]=3 321 B3R0.2 CP(C)C MCULE-6703190251 [0,1,1,0,0,0|1,0,0]=3 322 B3R0.2 CS(=O)C MCULE-2005841258 [0,1,1,0,0,0|1,0,0]=3 323 B3R0.2 CS(=O)Cl MCULE-1292201352 [0,1,1,0,0,0|2,0,0]=4 324 B3R0.2 CS(=O)N MCULE-5162949591 [0,1,1,0,0,0|2,0,0]=4 325 B3R0.2 CS(=O)O MCULE-8711306710 [0,1,1,0,0,0|2,0,0]=4 326 B3R0.2 CS(=O)[O-] MCULE-1437194827 [0,1,1,0,0,0|2,0,0]=4 327 B3R0.2 C[Ga](C)C MCULE-6013775603 [0,1,1,0,0,0|1,0,0]=3 328 B3R0.2 C[In](C)C MCULE-1424187192 [0,1,1,0,0,0|1,0,0]=3 329 B3R0.2 C[O+](C)C MCULE-2925451414 [0,1,1,0,0,0|1,0,0]=3 330 B3R0.2 C[S+](C)Br MCULE-2734391695 [0,1,1,0,0,0|1,0,0]=3 331 B3R0.2 C[S+](C)Br MCULE-6411921824 [0,1,1,0,0,0|1,0,0]=3 332 B3R0.2 C[S+](C)C MCULE-5867625832 [0,1,1,0,0,0|1,0,0]=3 333 B3R0.2 C[S+](C)C MCULE-7678314643 [0,1,1,0,0,0|1,0,0]=3 334 B3R0.2 C[S+](C)C MCULE-8005905986 [0,1,1,0,0,0|1,0,0]=3 335 B3R0.2 C[Se](=O)C MCULE-4596040471 [0,1,1,0,0,0|1,0,0]=3 336 B3R0.2 C[Se](=O)O MCULE-5568767851 [0,1,1,0,0,0|2,0,0]=4 337 B3R0.2 ClC(Br)Br MCULE-7315486856 [0,1,1,0,0,0|2,0,0]=4 338 B3R0.2 ClC(Cl)Br MCULE-9404631495 [0,1,1,0,0,0|2,0,0]=4 339 B3R0.2 ClC(Cl)Cl MCULE-5607930311 [0,1,1,0,0,0|2,0,0]=4 340 B3R0.2 ClC(Cl)I MCULE-9232888477 [0,1,1,0,0,0|2,0,0]=4 341 B3R0.2 FC(Br)Br MCULE-4574077227 [0,1,1,0,0,0|2,0,0]=4 342 B3R0.2 FC(F)I MCULE-6704020444 [0,1,1,0,0,0|2,0,0]=4 343 B3R0.2 IC(I)I MCULE-5976787287 [0,1,1,0,0,0|2,0,0]=4 344 B5R1.2 BrC1=CCC1 MCULE-7839710306 [0,1,0,0,0,1|0,0,1]=3 345 B5R1.2 BrC1CCC1 MCULE-3713567804 [0,1,0,0,0,1|0,0,0]=2 346 B5R1.2 BrC1CNC1 MCULE-4959282437 [0,1,0,0,0,1|0,0,0]=2 347 B5R1.2 BrC1CNC1 MCULE-5635086924 [0,1,0,0,0,1|0,0,0]=2 348 B5R1.2 BrC1CNC1 MCULE-7561312043 [0,1,0,0,0,1|0,0,0]=2 349 B5R1.2 BrC1COC1 MCULE-7527620035 [0,1,0,0,0,1|0,0,0]=2 350 B5R1.2 C=C1CCC1 MCULE-8318650413 [0,1,0,0,0,1|0,0,0]=2 351 B5R1.2 C=C1CNC1 MCULE-1391021267 [0,1,0,0,0,1|0,0,1]=3 352 B5R1.2 C=C1CNC1 MCULE-7957953185 [0,1,0,0,0,1|0,0,1]=3 353 B5R1.2 C=C1COC1 MCULE-1822645869 [0,1,0,0,0,1|0,0,1]=3 354 B5R1.2 CC1CCN1 MCULE-7952714343 [0,1,0,0,0,1|0,0,0]=2 355 B5R1.2 CC1CCN1 MCULE-9084374728 [0,1,0,0,0,1|0,0,0]=2 356 B5R1.2 CC1CNC1 MCULE-3977066574 [0,1,0,0,0,1|0,0,0]=2 357 B5R1.2 CC1CNC1 MCULE-7868611457 [0,1,0,0,0,1|0,0,0]=2 358 B5R1.2 C[C@@H]1CCN1 MCULE-1326888606 [0,1,0,0,0,1|0,0,0]=2 359 B5R1.2 C[C@@H]1CCN1 MCULE-4242598105 [0,1,0,0,0,1|0,0,0]=2 360 B5R1.2 C[C@@H]1CCN1 MCULE-7982357684 [0,1,0,0,0,1|0,0,0]=2 361 B5R1.2 C[C@@H]1CCN1 MCULE-9443505478 [0,1,0,0,0,1|0,0,0]=2 362 B5R1.2 C[C@H]1CCN1 MCULE-3178162849 [0,1,0,0,0,1|0,0,0]=2 363 B5R1.2 C[C@H]1CCN1 MCULE-4001397038 [0,1,0,0,0,1|0,0,0]=2 364 B5R1.2 C[C@H]1CCN1 MCULE-4361200248 [0,1,0,0,0,1|0,0,0]=2 365 B5R1.2 C[C@H]1CCN1 MCULE-6534579029 [0,1,0,0,0,1|0,0,0]=2 366 B5R1.2 ClC1CCC1 MCULE-2602937313 [0,1,0,0,0,1|0,0,0]=2 367 B5R1.2 ClC1CNC1 MCULE-2051705029 [0,1,0,0,0,1|0,0,0]=2 368 B5R1.2 ClC1CNC1 MCULE-6678325694 [0,1,0,0,0,1|0,0,0]=2 369 B5R1.2 ClC1COC1 MCULE-7266812470 [0,1,0,0,0,1|0,0,0]=2 370 B5R1.2 FC1CNC1 MCULE-5746598794 [0,1,0,0,0,1|0,0,0]=2 371 B5R1.2 FC1CNC1 MCULE-9427948721 [0,1,0,0,0,1|0,0,0]=2 372 B5R1.2 FC1COC1 MCULE-7899811313 [0,1,0,0,0,1|0,0,0]=2 373 B5R1.2 IC1CCC1 MCULE-3890796264 [0,1,0,0,0,1|0,0,0]=2 374 B5R1.2 IC1CNC1 MCULE-5957681014 [0,1,0,0,0,1|0,0,0]=2 375 B5R1.2 IC1CNC1 MCULE-7396587981 [0,1,0,0,0,1|0,0,0]=2 376 B5R1.2 IC1COC1 MCULE-6736781201 [0,1,0,0,0,1|0,0,0]=2 377 B5R1.2 NC1CCC1 MCULE-7511834789 [0,1,0,0,0,1|0,0,0]=2 378 B5R1.2 NC1CCC1 MCULE-9118406840 [0,1,0,0,0,1|0,0,0]=2 379 B5R1.2 NC1CNC1 MCULE-3069271350 [0,1,0,0,0,1|0,0,0]=2 380 B5R1.2 NC1CNC1 MCULE-4785323807 [0,1,0,0,0,1|0,0,0]=2 381 B5R1.2 NC1COC1 MCULE-3457998413 [0,1,0,0,0,1|0,0,0]=2 382 B5R1.2 NC1COC1 MCULE-8439862131 [0,1,0,0,0,1|0,0,0]=2 383 B5R1.2 NC1CSC1 MCULE-8155396913 [0,1,0,0,0,1|0,0,0]=2 384 B5R1.2 NC1CSC1 MCULE-8463545676 [0,1,0,0,0,1|0,0,0]=2 385 B5R1.2 NC1CSC1 MCULE-8920812656 [0,1,0,0,0,1|0,0,0]=2 386 B5R1.2 NN1CCC1 MCULE-8176731673 [0,1,0,0,0,1|0,0,0]=2 387 B5R1.2 NN1CCC1 MCULE-8382619719 [0,1,0,0,0,1|0,0,0]=2 388 B5R1.2 O=C1CCC1 MCULE-4870967355 [0,1,0,0,0,1|0,0,0]=2 389 B5R1.2 O=C1CCN1 MCULE-9053067221 [0,1,0,0,0,1|0,0,1]=3 390 B5R1.2 O=C1CCO1 MCULE-1277069147 [0,1,0,0,0,1|0,0,1]=3 391 B5R1.2 O=C1CNC1 MCULE-5171659870 [0,1,0,0,0,1|0,0,1]=3 392 B5R1.2 O=C1CNC1 MCULE-8293494956 [0,1,0,0,0,1|0,0,1]=3 393 B5R1.2 O=C1COC1 MCULE-6847248632 [0,1,0,0,0,1|0,0,1]=3 394 B5R1.2 O=C1CSC1 MCULE-4436071261 [0,1,0,0,0,1|0,0,1]=3 395 B5R1.2 OC1CCC1 MCULE-2856311430 [0,1,0,0,0,1|0,0,0]=2 396 B5R1.2 OC1CNC1 MCULE-3596383447 [0,1,0,0,0,1|0,0,0]=2 397 B5R1.2 OC1CNC1 MCULE-7913518128 [0,1,0,0,0,1|0,0,0]=2 398 B5R1.2 OC1COC1 MCULE-2630355859 [0,1,0,0,0,1|0,0,0]=2 399 B5R1.2 OC1CSC1 MCULE-6759275460 [0,1,0,0,0,1|0,0,0]=2 400 B5R1.2 SC1CCC1 MCULE-1779239394 [0,1,0,0,0,1|0,0,0]=2 401 B5R1.2 SC1CNC1 MCULE-5823473779 [0,1,0,0,0,1|0,0,0]=2 402 B5R1.2 SC1CNC1 MCULE-9002536698 [0,1,0,0,0,1|0,0,0]=2 403 B5R1.2 SC1COC1 MCULE-2175099379 [0,1,0,0,0,1|0,0,0]=2 404 B5R1.3 BrCC1CC1 MCULE-6057571576 [0,2,0,0,0,0|0,0,0]=2 405 B5R1.3 BrCC1CO1 MCULE-1054784183 [0,2,0,0,0,0|1,0,0]=3 406 B5R1.3 C#CC1CC1 MCULE-8413731516 [0,2,0,0,0,0|0,0,0]=2 407 B5R1.3 C1(CO1)CCl MCULE-2239256431 [0,2,0,0,0,0|1,0,0]=3 408 B5R1.3 C=CC1CC1 MCULE-4323158851 [0,2,0,0,0,0|0,0,0]=2 409 B5R1.3 C=CC1CO1 MCULE-1428696186 [0,2,0,0,0,0|1,0,0]=3 410 B5R1.3 CCC1CO1 MCULE-4316722229 [0,2,0,0,0,0|1,0,0]=3 411 B5R1.3 CCC1CO1 MCULE-8341828978 [0,2,0,0,0,0|1,0,0]=3 412 B5R1.3 CC[C@@H]1CO1 MCULE-4349820919 [0,2,0,0,0,0|1,0,0]=3 413 B5R1.3 CC[C@@H]1CO1 MCULE-5929218989 [0,2,0,0,0,0|1,0,0]=3 414 B5R1.3 CC[C@H]1CO1 MCULE-3647278168 [0,2,0,0,0,0|1,0,0]=3 415 B5R1.3 CC[C@H]1CO1 MCULE-4369524443 [0,2,0,0,0,0|1,0,0]=3 416 B5R1.3 CNC1CC1 MCULE-4055097650 [0,2,0,0,0,0|0,0,0]=2 417 B5R1.3 CNC1CC1 MCULE-8040280524 [0,2,0,0,0,0|0,0,0]=2 418 B5R1.3 ClCC1CC1 MCULE-3906493674 [0,2,0,0,0,0|0,0,0]=2 419 B5R1.3 ClCC1CO1 MCULE-9759519789 [0,2,0,0,0,0|1,0,0]=3 420 B5R1.3 ClCC1CS1 MCULE-7368175691 [0,2,0,0,0,0|1,0,0]=3 421 B5R1.3 ClC[C@@H]1CO1 MCULE-8144448889 [0,2,0,0,0,0|1,0,0]=3 422 B5R1.3 ClC[C@@H]1CO1 MCULE-8710235870 [0,2,0,0,0,0|1,0,0]=3 423 B5R1.3 ClC[C@H]1CO1 MCULE-2316124162 [0,2,0,0,0,0|1,0,0]=3 424 B5R1.3 ClC[C@H]1CO1 MCULE-6957304600 [0,2,0,0,0,0|1,0,0]=3 425 B5R1.3 FCC1CO1 MCULE-6156138745 [0,2,0,0,0,0|1,0,0]=3 426 B5R1.3 FC[C@@H]1CO1 MCULE-7477932707 [0,2,0,0,0,0|1,0,0]=3 427 B5R1.3 FNC1CC1 MCULE-4155496114 [0,2,0,0,0,0|0,0,0]=2 428 B5R1.3 ICC1CC1 MCULE-2390979991 [0,2,0,0,0,0|0,0,0]=2 429 B5R1.3 ICC1CO1 MCULE-6993621560 [0,2,0,0,0,0|1,0,0]=3 430 B5R1.3 N#CC1CC1 MCULE-1838359731 [0,2,0,0,0,0|0,0,0]=2 431 B5R1.3 NCC1CC1 MCULE-5832294538 [0,2,0,0,0,0|0,0,0]=2 432 B5R1.3 NCC1CC1 MCULE-9914994928 [0,2,0,0,0,0|0,0,0]=2 433 B5R1.3 NNC1CC1 MCULE-3522729516 [0,2,0,0,0,0|0,0,0]=2 434 B5R1.3 NNC1CC1 MCULE-7121199703 [0,2,0,0,0,0|0,0,0]=2 435 B5R1.3 NNC1CC1 MCULE-8598538666 [0,2,0,0,0,0|0,0,0]=2 436 B5R1.3 NOC1CC1 MCULE-5379816123 [0,2,0,0,0,0|0,0,0]=2 437 B5R1.3 O=CC1CC1 MCULE-9773190262 [0,2,0,0,0,0|0,0,0]=2 438 B5R1.3 OCC1CC1 MCULE-4492474357 [0,2,0,0,0,0|0,0,0]=2 439 B5R1.3 OCC1CO1 MCULE-2158628585 [0,2,0,0,0,0|1,0,0]=3 440 B5R1.3 OCC1CO1 MCULE-4063620133 [0,2,0,0,0,0|1,0,0]=3 441 B5R1.3 OC[C@@H]1CO1 MCULE-4213198809 [0,2,0,0,0,0|1,0,0]=3 442 B5R1.3 OC[C@@H]1CO1 MCULE-6922911793 [0,2,0,0,0,0|1,0,0]=3 443 B5R1.3 OC[C@H]1CO1 MCULE-2018407404 [0,2,0,0,0,0|1,0,0]=3 444 B5R1.3 OC[C@H]1CO1 MCULE-9773081927 [0,2,0,0,0,0|1,0,0]=3 445 B5R1.3 SCC1CC1 MCULE-9557919804 [0,2,0,0,0,0|0,0,0]=2 446 B5R1.3 [C@@H]1(CO1)C=C MCULE-9776744095 [0,2,0,0,0,0|1,0,0]=3 447 B5R1.3 [C@H]1(CO1)C=C MCULE-7934901088 [0,2,0,0,0,0|1,0,0]=3 448 B5R1.4 CC1CC1N MCULE-4472318973 [0,2,0,0,0,0|0,0,0]=2 449 B5R1.4 CC1CC1N MCULE-8037315228 [0,2,0,0,0,0|0,0,0]=2 450 B5R1.4 CC1CC1O MCULE-2006758475 [0,2,0,0,0,0|0,0,0]=2 451 B5R1.4 CC1OC1C MCULE-9780363671 [0,2,0,0,0,0|1,0,0]=3 452 B5R1.4 C[C@@H]1C[C@@H]1N MCULE-6282896395 [0,2,0,0,0,0|0,0,0]=2 453 B5R1.4 C[C@@H]1C[C@H]1N MCULE-1526017761 [0,2,0,0,0,0|0,0,0]=2 454 B5R1.4 C[C@@H]1C[C@H]1N MCULE-7111745511 [0,2,0,0,0,0|0,0,0]=2 455 B5R1.4 C[C@@H]1C[C@H]1N MCULE-7879046644 [0,2,0,0,0,0|0,0,0]=2 456 B5R1.4 C[C@@H]1C[C@H]1N MCULE-9805986423 [0,2,0,0,0,0|0,0,0]=2 457 B5R1.4 C[C@@H]1O[C@@H]1C MCULE-4355544092 [0,2,0,0,0,0|1,0,0]=3 458 B5R1.4 C[C@@H]1O[C@H]1C MCULE-1930253682 [0,2,0,0,0,0|1,0,0]=3 459 B5R1.4 C[C@H]1C[C@@H]1N MCULE-9525222696 [0,2,0,0,0,0|0,0,0]=2 460 B5R1.4 C[C@H]1C[C@@H]1N MCULE-9658987958 [0,2,0,0,0,0|0,0,0]=2 461 B5R1.4 C[C@H]1C[C@H]1N MCULE-4953477750 [0,2,0,0,0,0|0,0,0]=2 462 B5R1.4 C[C@H]1C[C@H]1N MCULE-6429810931 [0,2,0,0,0,0|0,0,0]=2 463 B5R1.4 C[C@H]1O[C@@H]1C MCULE-4354089942 [0,2,0,0,0,0|1,0,0]=3 464 B5R1.4 C[C@H]1O[C@@H]1C MCULE-7982793342 [0,2,0,0,0,0|1,0,0]=3 465 B5R1.4 FC1CC1Br MCULE-9881614971 [0,2,0,0,0,0|0,0,0]=2 466 B5R1.4 NC1CC1F MCULE-8246845073 [0,2,0,0,0,0|0,0,0]=2 467 B5R1.4 NC1CC1F MCULE-9705431616 [0,2,0,0,0,0|0,0,0]=2 468 B5R1.4 NC1CC1N MCULE-2596247889 [0,2,0,0,0,0|0,0,0]=2 469 B5R1.4 NC1CC1N MCULE-7859500244 [0,2,0,0,0,0|0,0,0]=2 470 B5R1.4 NC1CC1O MCULE-2677451452 [0,2,0,0,0,0|0,0,0]=2 471 B5R1.4 NC1CC1O MCULE-2909581707 [0,2,0,0,0,0|0,0,0]=2 472 B5R1.4 NC1C[C@@H]1F MCULE-6104198419 [0,2,0,0,0,0|0,0,0]=2 473 B5R1.4 NC1C[C@@H]1F MCULE-8327037761 [0,2,0,0,0,0|0,0,0]=2 474 B5R1.4 N[C@@H]1C[C@@H]1F MCULE-1523759808 [0,2,0,0,0,0|0,0,0]=2 475 B5R1.4 N[C@@H]1C[C@@H]1F MCULE-1966857090 [0,2,0,0,0,0|0,0,0]=2 476 B5R1.4 N[C@@H]1C[C@@H]1F MCULE-3541599795 [0,2,0,0,0,0|0,0,0]=2 477 B5R1.4 N[C@@H]1C[C@@H]1F MCULE-8279324103 [0,2,0,0,0,0|0,0,0]=2 478 B5R1.4 N[C@@H]1C[C@@H]1O MCULE-1950197706 [0,2,0,0,0,0|0,0,0]=2 479 B5R1.4 N[C@@H]1C[C@H]1F MCULE-1379839035 [0,2,0,0,0,0|0,0,0]=2 480 B5R1.4 N[C@@H]1C[C@H]1F MCULE-7084330140 [0,2,0,0,0,0|0,0,0]=2 481 B5R1.4 N[C@@H]1C[C@H]1F MCULE-7552076798 [0,2,0,0,0,0|0,0,0]=2 482 B5R1.4 N[C@@H]1C[C@H]1F MCULE-7897288338 [0,2,0,0,0,0|0,0,0]=2 483 B5R1.4 N[C@@H]1C[C@H]1N MCULE-3447984641 [0,2,0,0,0,0|0,0,0]=2 484 B5R1.4 N[C@@H]1C[C@H]1N MCULE-6823903337 [0,2,0,0,0,0|0,0,0]=2 485 B5R1.4 N[C@@H]1C[C@H]1N MCULE-7464483331 [0,2,0,0,0,0|0,0,0]=2 486 B5R1.4 N[C@@H]1C[C@H]1N MCULE-8962336863 [0,2,0,0,0,0|0,0,0]=2 487 B5R1.4 N[C@@H]1C[C@H]1O MCULE-5188790849 [0,2,0,0,0,0|0,0,0]=2 488 B5R1.4 N[C@@H]1C[C@H]1O MCULE-8531829585 [0,2,0,0,0,0|0,0,0]=2 489 B5R1.4 N[C@H]1C[C@@H]1F MCULE-2098980306 [0,2,0,0,0,0|0,0,0]=2 490 B5R1.4 N[C@H]1C[C@@H]1F MCULE-4142129455 [0,2,0,0,0,0|0,0,0]=2 491 B5R1.4 N[C@H]1C[C@@H]1F MCULE-8616633135 [0,2,0,0,0,0|0,0,0]=2 492 B5R1.4 N[C@H]1C[C@@H]1F MCULE-8788279695 [0,2,0,0,0,0|0,0,0]=2 493 B5R1.4 N[C@H]1C[C@@H]1N MCULE-3374448650 [0,2,0,0,0,0|0,0,0]=2 494 B5R1.4 N[C@H]1C[C@@H]1N MCULE-3782038729 [0,2,0,0,0,0|0,0,0]=2 495 B5R1.4 N[C@H]1C[C@@H]1N MCULE-7583094160 [0,2,0,0,0,0|0,0,0]=2 496 B5R1.4 N[C@H]1C[C@@H]1O MCULE-4699241997 [0,2,0,0,0,0|0,0,0]=2 497 B5R1.4 N[C@H]1C[C@H]1F MCULE-1665232627 [0,2,0,0,0,0|0,0,0]=2 498 B5R1.4 N[C@H]1C[C@H]1F MCULE-1941678287 [0,2,0,0,0,0|0,0,0]=2 499 B5R1.4 N[C@H]1C[C@H]1F MCULE-3275343851 [0,2,0,0,0,0|0,0,0]=2 500 B5R1.4 N[C@H]1C[C@H]1F MCULE-5308534229 [0,2,0,0,0,0|0,0,0]=2 501 B5R1.4 N[C@H]1C[C@H]1N MCULE-1426528738 [0,2,0,0,0,0|0,0,0]=2 502 B5R1.4 N[C@H]1C[C@H]1N MCULE-6003446819 [0,2,0,0,0,0|0,0,0]=2 503 B5R1.4 N[C@H]1C[C@H]1O MCULE-3609246488 [0,2,0,0,0,0|0,0,0]=2 504 B5R1.4 N[C@H]1C[C@H]1O MCULE-3860963329 [0,2,0,0,0,0|0,0,0]=2 505 B5R1.4 [C@@H]1(C[C@H]1N)F MCULE-5118118569 [0,2,0,0,0,0|0,0,0]=2 506 B5R1.4 [C@H]1(C[C@H]1F)N MCULE-1071128348 [0,2,0,0,0,0|0,0,0]=2 507 B5R1.4 [C@H]1(C[C@H]1F)N MCULE-8956631145 [0,2,0,0,0,0|0,0,0]=2 508 B5R1.5 CC1(CC1)Br MCULE-7741990197 [0,2,0,0,0,0|0,0,0]=2 509 B5R1.5 CC1(CC1)N MCULE-5669720871 [0,2,0,0,0,0|0,0,0]=2 510 B5R1.5 CC1(CC1)N MCULE-6964629714 [0,2,0,0,0,0|0,0,0]=2 511 B5R1.5 CC1(CC1)O MCULE-8472680145 [0,2,0,0,0,0|0,0,0]=2 512 B5R1.5 CC1(CN1)C MCULE-8452595493 [0,2,0,0,0,0|1,0,0]=3 513 B5R1.5 CC1(CO1)C MCULE-4247049920 [0,2,0,0,0,0|1,0,0]=3 514 B5R1.5 CC1(CS1)C MCULE-7579931452 [0,2,0,0,0,0|1,0,0]=3 515 B5R1.5 ClC1(CC1)Cl MCULE-1245940379 [0,2,0,0,0,0|0,0,0]=2 516 B5R1.5 NC1(CC1)O MCULE-6134507215 [0,2,0,0,0,0|0,0,0]=2 517 B5R1.5 NC1(CC1)O MCULE-9233065159 [0,2,0,0,0,0|0,0,0]=2 518 B5R1.5 O=S1(=O)CC1 MCULE-3660879908 [0,2,0,0,0,0|1,0,0]=3 519 B5R1.1 B1CCOO1 MCULE-4859234466 [0,0,0,0,0,2|1,0,0]=3 520 B5R1.1 C1=CCC=C1 MCULE-1776679581 [0,0,0,0,0,2|0,0,2]=4 521 B5R1.1 C1=CCCC1 MCULE-8785635218 [0,0,0,0,0,2|0,0,0]=2 522 B5R1.1 C1=CCNC1 MCULE-4645888757 [0,0,0,0,0,2|0,0,1]=3 523 B5R1.1 C1=CCNC1 MCULE-7386427096 [0,0,0,0,0,2|0,0,1]=3 524 B5R1.1 C1=CCOC1 MCULE-1252378718 [0,0,0,0,0,2|0,0,1]=3 525 B5R1.1 C1=CCSC1 MCULE-7848219599 [0,0,0,0,0,2|0,0,1]=3 526 B5R1.1 C1=COCC1 MCULE-7714726225 [0,0,0,0,0,2|0,0,1]=3 527 B5R1.1 C1=NCCN1 MCULE-6281004177 [0,0,0,0,0,2|0,0,1]=3 528 B5R1.1 C1=NNCC1 MCULE-2270087414 [0,0,0,0,0,2|0,0,1]=3 529 B5R1.1 C1CCNC1 MCULE-2816679267 [0,0,0,0,0,2|0,0,0]=2 530 B5R1.1 C1CCNC1 MCULE-8439725600 [0,0,0,0,0,2|0,0,0]=2 531 B5R1.1 C1CCNC1 MCULE-8653165010 [0,0,0,0,0,2|0,0,0]=2 532 B5R1.1 C1CCNC1 MCULE-9053007443 [0,0,0,0,0,2|0,0,0]=2 533 B5R1.1 C1CCOC1 MCULE-3873245085 [0,0,0,0,0,2|0,0,0]=2 534 B5R1.1 C1CCSC1 MCULE-4519380555 [0,0,0,0,0,2|0,0,0]=2 535 B5R1.1 C1CNCN1 MCULE-6666768806 [0,0,0,0,0,2|0,0,0]=2 536 B5R1.1 C1CNNC1 MCULE-9192384720 [0,0,0,0,0,2|0,0,0]=2 537 B5R1.1 C1CNNC1 MCULE-9418244562 [0,0,0,0,0,2|0,0,0]=2 538 B5R1.1 C1CNOC1 MCULE-3922840312 [0,0,0,0,0,2|0,0,0]=2 539 B5R1.1 C1CNOC1 MCULE-6084499894 [0,0,0,0,0,2|0,0,0]=2 540 B5R1.1 C1COCN1 MCULE-4693733872 [0,0,0,0,0,2|0,0,0]=2 541 B5R1.1 C1COCO1 MCULE-3967810235 [0,0,0,0,0,2|0,0,0]=2 542 B5R1.1 C1CSCN1 MCULE-1445529876 [0,0,0,0,0,2|0,0,0]=2 543 B5R1.1 C1CSCN1 MCULE-8646299838 [0,0,0,0,0,2|0,0,0]=2 544 B5R1.1 C1CSCS1 MCULE-2954642463 [0,0,0,0,0,2|0,0,0]=2 545 B5R1.1 C1N=NNN1 MCULE-3350294262 [0,0,0,0,0,2|2,0,0]=4