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CCCCC(C)NCC(F)CC AIFCHEM-94541393975 [0,1,0,0,0,0|2,0,1]=4 44 B11R0.70 CCCCN(C)CCC(=O)NC AIFCHEM-94523038530 [0,1,0,0,0,0|2,0,0]=3 45 B11R0.70 CCCNC(C)CCC(=O)OC AIFCHEM-5792700904 [0,1,0,0,0,0|2,0,0]=3 46 B11R0.70 CCCN[C@@H](C)CCC(=O)OC AIFCHEM-94569013347 [0,1,0,0,0,0|2,0,0]=3 47 B11R0.70 CCCOC(=O)CNC(=O)CC AIFCHEM-94602844204 [0,1,0,0,0,0|2,0,1]=4 48 B11R0.70 CCSCC(=O)NCC(=O)CC AIFCHEM-94580209890 [0,1,0,0,0,0|2,0,1]=4 49 B11R0.106 COC(=O)CCCNC(C)CF AIFCHEM-94592447638 [0,1,0,0,0,0|3,0,0]=4 50 B11R0.106 COC(=O)CCCN[C@@H](C)CF AIFCHEM-94592442353 [0,1,0,0,0,0|3,0,0]=4 51 B11R0.106 COC(=O)CCCN[C@H](C)CF AIFCHEM-94592440058 [0,1,0,0,0,0|3,0,0]=4 52 B11R0.106 COC(=O)CCNCC(O)CO AIFCHEM-6129774061 [0,1,0,0,0,0|3,0,0]=4 53 B11R0.106 COC(=O)CCNC[C@H](O)CO AIFCHEM-94590563084 [0,1,0,0,0,0|3,0,0]=4 54 B11R0.111 CCC(=O)NCCCCC(=O)N AIFCHEM-94526512387 [0,1,0,0,0,0|2,0,1]=4 55 B11R0.124 CCCCCCNC(CC)CO AIFCHEM-94571765436 [0,1,0,0,0,0|1,0,2]=4 56 B11R0.124 CCCNCCCN(CC)CC AIFCHEM-94535242914 [0,1,0,0,0,0|3,0,0]=4 57 B11R0.142 CCCCCCC(C)N(C)CC AIFCHEM-6173130419 [0,1,0,0,0,0|2,0,0]=3 58 B11R0.142 CNC(=O)C(C)NCCCSC AIFCHEM-94546182222 [0,1,0,0,0,0|3,0,0]=4 59 B11R0.142 CNC(=O)[C@@H](C)NCCCSC AIFCHEM-94546184756 [0,1,0,0,0,0|3,0,0]=4 60 B11R0.142 CNC(=O)[C@H](C)NCCCSC AIFCHEM-94546184752 [0,1,0,0,0,0|3,0,0]=4 61 B11R0.154 CCCCNC(C)CC(=O)NC AIFCHEM-94570971721 [0,1,0,0,0,0|2,0,0]=3 62 B11R0.154 CNC(=O)CC(C)NCCOC AIFCHEM-94602591984 [0,1,0,0,0,0|3,0,0]=4 63 B11R0.174 COC(=O)CCCN(C)CCO AIFCHEM-94548502723 [0,1,0,0,0,0|3,0,0]=4 64 B11R1.1 CCCCN1CCC(CC1)C AIFCHEM-94523040026 [0,0,0,1,0,0|2,0,1]=4 65 B11R1.1 CCCNC1CCS(=O)CC1 AIFCHEM-94521367617 [0,0,0,1,0,0|2,0,0]=3 66 B11R1.13 CCCN1CCNC(=O)C1C AIFCHEM-94569016072 [0,0,0,1,0,0|2,0,0]=3 67 B11R1.13 CCCN1CCNC(=O)[C@@H]1C AIFCHEM-94569022530 [0,0,0,1,0,0|2,0,0]=3 68 B11R1.13 CCCN1CCNC(=O)[C@H]1C AIFCHEM-94569024217 [0,0,0,1,0,0|2,0,0]=3 69 B11R1.25 C#CC(=O)NCC1CCCC1 AIFCHEM-94573925864 [0,0,0,1,0,0|1,0,2]=4 70 B11R1.25 CCC(F)CNC1CCCC1 AIFCHEM-94541520734 [0,0,0,1,0,0|2,0,1]=4 71 B11R1.25 O=C(CO)NCC1CCCC1 AIFCHEM-94532683931 [0,0,0,1,0,0|2,0,0]=3 72 B11R1.25 O=C(CO)NC[C@@H]1CCCO1 AIFCHEM-94532680107 [0,0,0,1,0,0|3,0,0]=4 73 B11R1.25 O=C(CO)NC[C@H]1CCCO1 AIFCHEM-94552583621 [0,0,0,1,0,0|3,0,0]=4 74 B11R1.27 CCCCNC1CNC(=O)C1 AIFCHEM-94570972996 [0,0,0,1,0,0|2,0,0]=3 75 B11R1.27 CCCCN[C@H]1CNC(=O)C1 AIFCHEM-94523033306 [0,0,0,1,0,0|2,0,0]=3 76 B11R1.27 CCCNCC1CCC(=O)N1 AIFCHEM-94569009564 [0,0,0,1,0,0|2,0,0]=3 77 B11R1.27 CCCNC[C@@H]1CCC(=O)N1 AIFCHEM-94569015803 [0,0,0,1,0,0|2,0,0]=3 78 B11R1.27 CCCNC[C@H]1CCC(=O)N1 AIFCHEM-94569013841 [0,0,0,1,0,0|2,0,0]=3 79 B11R1.27 O=C1CC(CN1)NCCCO AIFCHEM-6421329747 [0,0,0,1,0,0|3,0,0]=4 80 B11R1.40 O=C(CO)NC1CCCOC1 AIFCHEM-94532684792 [0,0,0,1,0,0|3,0,0]=4 81 B11R1.40 O=C(CO)N[C@@H]1CCCOC1 AIFCHEM-94532676794 [0,0,0,1,0,0|3,0,0]=4 82 B11R1.40 O=C(CO)N[C@H]1CCCOC1 AIFCHEM-6136630525 [0,0,0,1,0,0|3,0,0]=4 83 B11R1.47 CCCCCCCN1CCC1 AIFCHEM-94604918926 [0,0,0,1,0,0|2,0,0]=3 84 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AIFCHEM-94544710523 [1,1,0,0,0,0|0,0,2]=4 99 B10R0.4 CCCCNCCNC(=O)C AIFCHEM-94523027506 [1,1,0,0,0,0|1,0,0]=3 100 B10R0.4 CCCCNCCNC(=O)N AIFCHEM-94523033959 [1,1,0,0,0,0|2,0,0]=4 101 B10R0.4 CCCCNCCOC(=O)C AIFCHEM-94523034395 [1,1,0,0,0,0|1,0,0]=3 102 B10R0.4 O=C(O)CNCCCCCO AIFCHEM-5913012506 [1,1,0,0,0,0|2,0,0]=4 103 B10R0.6 CCCCNC(C)CC(=O)O AIFCHEM-94523036017 [1,1,0,0,0,0|2,0,0]=4 104 B10R0.6 CCCCN[C@H](C)CC(=O)O AIFCHEM-94523039538 [1,1,0,0,0,0|2,0,0]=4 105 B10R0.75 CCCCCCN(C)C(=O)C AIFCHEM-94535595676 [1,1,0,0,0,0|1,0,0]=3 106 B10R0.75 CCCCCN[C@@H](C)C(=O)N AIFCHEM-94530163499 [1,1,0,0,0,0|2,0,0]=4 107 B10R0.75 CCCCCN[C@H](C)C(=O)N AIFCHEM-94551436255 [1,1,0,0,0,0|2,0,0]=4 108 B10R0.78 CCCNC(C)CCC(=O)O AIFCHEM-94569012120 [1,1,0,0,0,0|2,0,0]=4 109 B10R0.78 CCCNC(C)COC(=O)C AIFCHEM-94599171235 [1,1,0,0,0,0|2,0,0]=4 110 B10R0.71 CCCCCNCCOCC AIFCHEM-94548602786 [1,1,0,0,0,0|1,0,0]=3 111 B10R0.71 CCCCNCCOCCO AIFCHEM-5751576795 [1,1,0,0,0,0|2,0,0]=4 112 B10R0.71 CCCCOCCCNCC AIFCHEM-94537416494 [1,1,0,0,0,0|1,0,0]=3 113 B10R0.71 CCCNCCCOCCO AIFCHEM-94569024858 [1,1,0,0,0,0|2,0,0]=4 114 B10R0.71 CCNCCCCCCCO AIFCHEM-94537417528 [1,1,0,0,0,0|1,0,0]=3 115 B10R0.18 CCCNC(C)CC(=O)OC AIFCHEM-94569011981 [1,1,0,0,0,0|2,0,0]=4 116 B10R0.18 CCCN[C@@H](C)CC(=O)OC AIFCHEM-94569012180 [1,1,0,0,0,0|2,0,0]=4 117 B10R0.18 CCCN[C@H](C)CC(=O)OC AIFCHEM-94569008681 [1,1,0,0,0,0|2,0,0]=4 118 B10R0.83 CCCCCN(C)C(=O)CC AIFCHEM-94526505529 [1,1,0,0,0,0|1,0,0]=3 119 B10R0.83 CCCCNC(C)C(=O)NC AIFCHEM-94523037310 [1,1,0,0,0,0|2,0,0]=4 120 B10R0.83 CCCCN[C@@H](C)C(=O)NC AIFCHEM-94523039840 [1,1,0,0,0,0|2,0,0]=4 121 B10R0.83 CCCCN[C@H](C)C(=O)NC AIFCHEM-94523039844 [1,1,0,0,0,0|2,0,0]=4 122 B10R0.108 CCN[C@@H](C)CCC(=O)OC AIFCHEM-94537416264 [1,1,0,0,0,0|2,0,0]=4 123 B12R0.1 C#CCCCCCNC(=O)CSC AIFCHEM-94571998007 [0,2,0,0,0,0|0,0,2]=4 124 B12R0.1 CCNC(=O)CNCCCCCO AIFCHEM-5793634755 [0,2,0,0,0,0|1,0,0]=3 125 B12R0.1 CCOC(=O)CCCCNCCF AIFCHEM-5853674262 [0,2,0,0,0,0|1,0,0]=3 126 B12R0.1 COCCOCCNC(=O)CCO AIFCHEM-5855768397 [0,2,0,0,0,0|2,0,0]=4 127 B12R0.1 COCCOCCNC(=O)CSC AIFCHEM-5794815740 [0,2,0,0,0,0|2,0,0]=4 128 B12R0.4 CCCCCCCN(C)CC(F)F AIFCHEM-94589452597 [0,2,0,0,0,0|2,0,0]=4 129 B12R0.4 CCCCCCNC(=O)CC(F)F AIFCHEM-94575440623 [0,2,0,0,0,0|1,0,0]=3 130 B12R0.4 CCCCCNCC(=O)NC(C)C AIFCHEM-94530807721 [0,2,0,0,0,0|1,0,0]=3 131 B12R0.4 CCOCCCNC(=O)CC(C)C AIFCHEM-6220575715 [0,2,0,0,0,0|2,0,0]=4 132 B12R0.49 CCCCCCCN(C)C(C)CO AIFCHEM-5999393082 [0,2,0,0,0,0|2,0,0]=4 133 B12R0.49 CCCCCCCN(C)[C@@H](C)CO AIFCHEM-94589458863 [0,2,0,0,0,0|2,0,0]=4 134 B12R0.49 CCCCCCCN(C)[C@H](C)CO AIFCHEM-94589453386 [0,2,0,0,0,0|2,0,0]=4 135 B12R0.49 CCCCCNCC(=O)N(C)OC AIFCHEM-94551434676 [0,2,0,0,0,0|2,0,0]=4 136 B12R0.49 CCN(C)C(=O)CCCCCCO AIFCHEM-6119286754 [0,2,0,0,0,0|1,0,0]=3 137 B12R0.49 CCN(C)C(=O)CCCCCOC AIFCHEM-94534418367 [0,2,0,0,0,0|1,0,0]=3 138 B12R0.49 CCOCCCNC(=O)[C@@H](C)OC AIFCHEM-6281351841 [0,2,0,0,0,0|2,0,0]=4 139 B12R0.49 CCOCCCNC(=O)[C@H](C)OC AIFCHEM-6274035093 [0,2,0,0,0,0|2,0,0]=4 140 B12R0.49 CNC(=O)C(C)NCCCCCO AIFCHEM-5862684538 [0,2,0,0,0,0|2,0,0]=4 141 B12R0.49 CNC(=O)[C@@H](C)NCCCCCO AIFCHEM-5992017361 [0,2,0,0,0,0|2,0,0]=4 142 B12R0.49 CNC(=O)[C@H](C)NCCCCCO AIFCHEM-5931425111 [0,2,0,0,0,0|2,0,0]=4 143 B12R0.49 COC(=O)C(O)CNCCCSC AIFCHEM-94546178567 [0,2,0,0,0,0|2,0,0]=4 144 B12R0.49 COC(=O)[C@@H](O)CNCCCSC AIFCHEM-94546186374 [0,2,0,0,0,0|2,0,0]=4 145 B12R0.101 CCCCC(=O)NCC(=O)OCC AIFCHEM-94534109690 [0,2,0,0,0,0|1,0,1]=4 146 B12R0.101 CCOC(=O)CCC(C)NCCF AIFCHEM-5871167110 [0,2,0,0,0,0|2,0,0]=4 147 B12R0.114 CCCCCCN(C)C(=O)CC#N AIFCHEM-94559917142 [0,2,0,0,0,0|1,0,1]=4 148 B12R0.114 CCNC(=O)[C@H](C)NCCCSC AIFCHEM-94546186272 [0,2,0,0,0,0|2,0,0]=4 149 B12R0.206 C#CCCC(=O)NCCCOCC AIFCHEM-6281326835 [0,2,0,0,0,0|2,0,0]=4 150 B12R0.206 C#CCNC(=O)CCCCCCC AIFCHEM-94588314157 [0,2,0,0,0,0|0,0,1]=3 151 B12R0.206 C/C=C/CC(=O)NCCCOCC AIFCHEM-6208994981 [0,2,0,0,0,0|2,0,0]=4 152 B12R0.206 CCCCCC#CC(=O)NCCF AIFCHEM-5802085638 [0,2,0,0,0,0|0,0,2]=4 153 B12R0.206 CCCCCCCN(C)CCCC AIFCHEM-94523037081 [0,2,0,0,0,0|2,0,0]=4 154 B12R0.206 CCCCCCCN(C)CCOC AIFCHEM-94589458486 [0,2,0,0,0,0|2,0,0]=4 155 B12R0.206 CCCCCCNC(=O)COCC AIFCHEM-94575445485 [0,2,0,0,0,0|1,0,0]=3 156 B12R0.206 CCOCCCNC(=O)CCSC AIFCHEM-6286317677 [0,2,0,0,0,0|2,0,0]=4 157 B12R0.276 CCC(=O)NCCNC(C)COC AIFCHEM-94532526808 [0,2,0,0,0,0|2,0,0]=4 158 B12R0.276 CCCC(C)NCCNC(=O)CC AIFCHEM-94606123891 [0,2,0,0,0,0|1,0,0]=3 159 B12R0.276 CCOC(=O)CCCCN(C)CC AIFCHEM-94563257401 [0,2,0,0,0,0|1,0,0]=3 160 B12R0.276 COCC(C)NCCCC(=O)OC AIFCHEM-94592441382 [0,2,0,0,0,0|2,0,0]=4 161 B12R0.276 COC[C@@H](C)NCCCC(=O)OC AIFCHEM-94601261944 [0,2,0,0,0,0|2,0,0]=4 162 B12R0.276 COC[C@H](C)NCCCC(=O)OC AIFCHEM-94592433133 [0,2,0,0,0,0|2,0,0]=4 163 B12R0.102 CCCCN(C)CCCC(=O)OC AIFCHEM-94523043041 [0,2,0,0,0,0|1,0,0]=3 164 B12R0.102 CCCNC(C)CCCC(=O)OC AIFCHEM-94521367013 [0,2,0,0,0,0|1,0,0]=3 165 B12R0.102 COC(=O)CCCC(C)NCCF AIFCHEM-5853847138 [0,2,0,0,0,0|2,0,0]=4 166 B12R0.102 COC(=O)CCCC(C)NCCO AIFCHEM-6470378567 [0,2,0,0,0,0|2,0,0]=4 167 B12R0.102 COC(=O)CCCN(C)CCCO AIFCHEM-94592442004 [0,2,0,0,0,0|2,0,0]=4 168 B12R0.102 COC(=O)CCNC(C)CCSC AIFCHEM-6129829885 [0,2,0,0,0,0|2,0,0]=4 169 B12R0.113 CCCCCNC(C)CC(=O)OC AIFCHEM-94522649989 [0,2,0,0,0,0|1,0,0]=3 170 B12R0.113 CCCCCN[C@@H](C)CC(=O)OC AIFCHEM-94551426621 [0,2,0,0,0,0|1,0,0]=3 171 B12R0.113 CCCCCN[C@H](C)CC(=O)OC AIFCHEM-94564415899 [0,2,0,0,0,0|1,0,0]=3 172 B12R0.113 CCCCNC[C@H](C)NC(=O)OC AIFCHEM-94523029950 [0,2,0,0,0,0|2,0,0]=4 173 B12R0.113 CCSCCNC(C)CC(=O)OC AIFCHEM-94566114250 [0,2,0,0,0,0|2,0,0]=4 174 B12R0.113 CNC(=O)CC(C)NCCCOC AIFCHEM-94602597244 [0,2,0,0,0,0|2,0,0]=4 175 B12R0.113 CNC(=O)CC(C)NCCCSC AIFCHEM-94529052715 [0,2,0,0,0,0|2,0,0]=4 176 B12R0.113 COC(=O)CN(C)CCCCCO AIFCHEM-6043127932 [0,2,0,0,0,0|2,0,0]=4 177 B12R0.142 CCCCCC(=O)NCC(=O)CC AIFCHEM-94585545762 [0,2,0,0,0,0|0,0,1]=3 178 B12R0.142 CCCCCC(C)NCC(F)CC AIFCHEM-94564402700 [0,2,0,0,0,0|1,0,1]=4 179 B12R0.142 CCCCCC(C)NCC(O)CC AIFCHEM-94564402461 [0,2,0,0,0,0|0,0,2]=4 180 B12R0.142 CCCCCC(C)NC[C@H](O)CC AIFCHEM-94564402459 [0,2,0,0,0,0|0,0,2]=4 181 B12R0.142 CCCCCN(C)CCC(=O)NC AIFCHEM-94601208099 [0,2,0,0,0,0|1,0,0]=3 182 B12R0.142 CNC(=O)CCN(C)CCCSC AIFCHEM-94546183442 [0,2,0,0,0,0|2,0,0]=4 183 B12R0.142 COC(=O)CCN(C)CCCSC AIFCHEM-94546180325 [0,2,0,0,0,0|2,0,0]=4 184 B12R0.183 CCC(F)CNCCCC(=O)OC AIFCHEM-94592435514 [0,2,0,0,0,0|1,0,0]=3 185 B12R0.183 COC(=O)CCCCNC(C)CO AIFCHEM-6470285406 [0,2,0,0,0,0|2,0,0]=4 186 B12R0.183 COC(=O)CCCCN[C@@H](C)CO AIFCHEM-6433046546 [0,2,0,0,0,0|2,0,0]=4 187 B12R0.183 COC(=O)CCCCN[C@H](C)CO AIFCHEM-6477051042 [0,2,0,0,0,0|2,0,0]=4 188 B12R0.183 COC(=O)CCCNC[C@@H](F)CO AIFCHEM-94592441012 [0,2,0,0,0,0|2,0,0]=4 189 B12R0.183 COC(=O)CCCNC[C@H](F)CO AIFCHEM-94592441013 [0,2,0,0,0,0|2,0,0]=4 190 B12R0.184 CCC(=O)NCCCCCN(C)C AIFCHEM-94526506259 [0,2,0,0,0,0|1,0,0]=3 191 B12R0.184 CN(C)CCCCCNC(=O)CO AIFCHEM-94532681464 [0,2,0,0,0,0|2,0,0]=4 192 B12R0.184 COC(=O)CCCCNCC(C)C AIFCHEM-94563723483 [0,2,0,0,0,0|1,0,0]=3 193 B12R0.248 CCCCCCCNCC(C)CC AIFCHEM-94534470034 [0,2,0,0,0,0|1,0,1]=4 194 B12R0.248 CCCCCNCCNC(=O)CC AIFCHEM-94532522439 [0,2,0,0,0,0|0,0,0]=2 195 B12R0.248 CCCCOCCCNC(=O)CC AIFCHEM-94526503265 [0,2,0,0,0,0|0,0,0]=2 196 B12R0.251 C#CCCCCCNC(=O)C(C)C AIFCHEM-94545044071 [0,2,0,0,0,0|0,0,2]=4 197 B12R0.251 CCCCCCCNC(C)C(C)C AIFCHEM-94589460841 [0,2,0,0,0,0|1,0,1]=4 198 B12R0.251 CCCCCCCN[C@H](C)C(C)C AIFCHEM-94589457583 [0,2,0,0,0,0|1,0,1]=4 199 B12R0.186 CCC(=O)NCCNC(C)C(C)O AIFCHEM-94532526307 [0,2,0,0,0,0|2,0,0]=4 200 B12R0.237 CCCCCCNC(=O)C(C)(C)C AIFCHEM-94575446199 [0,2,0,0,0,0|1,0,0]=3 201 B12R0.237 CCOCCCNC(=O)C(C)(C)C AIFCHEM-6286399915 [0,2,0,0,0,0|2,0,0]=4 202 B12R0.189 CNC(=O)CNC(C)CCC(C)C AIFCHEM-94561172431 [0,2,0,0,0,0|2,0,0]=4 203 B12R0.189 COC(=O)CCC(C)NCC(C)O AIFCHEM-94558285042 [0,2,0,0,0,0|2,0,0]=4 204 B12R0.189 COC(=O)CCC(C)NC[C@@H](C)O AIFCHEM-6490896596 [0,2,0,0,0,0|2,0,0]=4 205 B12R0.189 COC(=O)CCC(C)NC[C@H](C)O AIFCHEM-6493284226 [0,2,0,0,0,0|2,0,0]=4 206 B12R0.216 CCCCC(CC)CNC(=O)CC AIFCHEM-94526505659 [0,2,0,0,0,0|1,0,0]=3 207 B12R0.156 CCC(=O)CCCC(=O)N(C)CC AIFCHEM-94552442739 [0,2,0,0,0,0|1,0,1]=4 208 B12R0.156 CCC(C)CNCC(O)C(=O)OC AIFCHEM-6512500985 [0,2,0,0,0,0|2,0,0]=4 209 B12R0.156 CCC(C)CNC[C@H](O)C(=O)OC AIFCHEM-6498850994 [0,2,0,0,0,0|2,0,0]=4 210 B12R0.156 CCC(C)N(C)CCCC(=O)OC AIFCHEM-94592445813 [0,2,0,0,0,0|2,0,0]=4 211 B12R0.150 COC(=O)CCCCNC(C)(C)C AIFCHEM-94589407277 [0,2,0,0,0,0|2,0,0]=4 212 B12R0.240 CNC(=O)CC(C)NCCC(C)C AIFCHEM-94602602568 [0,2,0,0,0,0|2,0,0]=4 213 B12R0.240 COC(=O)CC(C)NCCC(C)O AIFCHEM-94577732083 [0,2,0,0,0,0|2,0,0]=4 214 B12R0.240 COC(=O)CC(C)NCC[C@H](C)O AIFCHEM-94544710349 [0,2,0,0,0,0|2,0,0]=4 215 B12R0.241 COC(=O)CCCN(C)CC(C)O AIFCHEM-94592437056 [0,2,0,0,0,0|2,0,0]=4 216 B12R0.200 CCCCCCN(CC)C(=O)CC AIFCHEM-95157762287 [0,2,0,0,0,0|1,0,0]=3 217 B12R0.200 CCCCCCN(CC)C(=O)CO AIFCHEM-100298552078 [0,2,0,0,0,0|2,0,0]=4 218 B12R0.200 CCCCCNC(CO)C(=O)OC AIFCHEM-94551434426 [0,2,0,0,0,0|2,0,0]=4 219 B12R0.200 CCCCCN[C@@H](CO)C(=O)OC AIFCHEM-94551434506 [0,2,0,0,0,0|2,0,0]=4 220 B12R0.200 CCCCCN[C@H](CO)C(=O)OC AIFCHEM-94551434765 [0,2,0,0,0,0|2,0,0]=4 221 B12R0.200 CCOCCCN(CC)C(=O)CC AIFCHEM-95157502664 [0,2,0,0,0,0|2,0,0]=4 222 B10R1.18 CC(=O)NC1CCCOC1 AIFCHEM-94605355363 [1,0,0,1,0,0|2,0,0]=4 223 B10R1.18 CC(=O)NC1CCSCC1 AIFCHEM-94535594005 [1,0,0,1,0,0|2,0,0]=4 224 B10R1.18 CC(=O)N[C@@H]1CCCOC1 AIFCHEM-94588276124 [1,0,0,1,0,0|2,0,0]=4 225 B10R1.18 CC(=O)N[C@H]1CCCOC1 AIFCHEM-94535590147 [1,0,0,1,0,0|2,0,0]=4 226 B10R1.39 CCC1CCCN1C(=O)C AIFCHEM-5851100903 [1,0,0,1,0,0|1,0,0]=3 227 B10R1.61 CC(=O)N1CCCC[C@@H]1C AIFCHEM-5890381224 [1,0,0,1,0,0|1,0,0]=3 228 B10R1.61 CC(=O)N1CCCC[C@H]1C AIFCHEM-5769330335 [1,0,0,1,0,0|1,0,0]=3 229 B10R1.127 O=C(O)CCNC1CCC1 AIFCHEM-94576044203 [1,0,0,1,0,0|2,0,0]=4 230 B10R1.348 CC(=O)N1CCCOCC1 AIFCHEM-94553873278 [1,0,0,1,0,0|2,0,0]=4 231 B10R1.5 CCN1CCC[C@@H]1COC AIFCHEM-94537413471 [1,0,0,1,0,0|2,0,0]=4 232 B10R1.5 CCN1CCC[C@H]1COC AIFCHEM-94537423808 [1,0,0,1,0,0|2,0,0]=4 233 B10R1.21 CCCNCC1CCOC1 AIFCHEM-94521371393 [1,0,0,1,0,0|2,0,0]=4 234 B10R1.21 CCCNC[C@@H]1CCOC1 AIFCHEM-94569012262 [1,0,0,1,0,0|2,0,0]=4 235 B10R1.21 CCCNC[C@H]1CCOC1 AIFCHEM-94569008849 [1,0,0,1,0,0|2,0,0]=4 236 B10R1.21 CCNCCN1CCCC1 AIFCHEM-94537424705 [1,0,0,1,0,0|2,0,0]=4 237 B10R1.29 CCNCC1CCCN1C AIFCHEM-94537419364 [1,0,0,1,0,0|2,0,0]=4 238 B10R1.29 CCNC[C@@H]1CCCN1C AIFCHEM-94537418524 [1,0,0,1,0,0|2,0,0]=4 239 B10R1.29 CCNC[C@H]1CCCN1C AIFCHEM-94537424203 [1,0,0,1,0,0|2,0,0]=4 240 B10R1.57 CCCCNCC1CCO1 AIFCHEM-94567674297 [1,0,0,1,0,0|2,0,0]=4 241 B10R1.57 CCCCNC[C@@H]1CCO1 AIFCHEM-94523034466 [1,0,0,1,0,0|2,0,0]=4 242 B10R1.57 CCCCNC[C@H]1CCO1 AIFCHEM-94523034462 [1,0,0,1,0,0|2,0,0]=4 243 B10R1.27 CCC(=O)NC1CCCC1 AIFCHEM-94542387709 [1,0,0,1,0,0|1,0,0]=3 244 B10R1.149 CC1CCCN1C(=O)CO AIFCHEM-94532685502 [1,0,0,1,0,0|2,0,0]=4 245 B10R1.149 CCC(=O)N1CCSC1C AIFCHEM-94526505333 [1,0,0,1,0,0|2,0,0]=4 246 B10R1.149 C[C@@H]1CCCN1C(=O)CO AIFCHEM-6031713756 [1,0,0,1,0,0|2,0,0]=4 247 B10R1.149 C[C@H]1CCCN1C(=O)CO AIFCHEM-5651156210 [1,0,0,1,0,0|2,0,0]=4 248 B10R1.197 CCN1CCNC(=O)CC1 AIFCHEM-94537418113 [1,0,0,1,0,0|2,0,0]=4 249 B12R1.28 O=C1CC(CCN1)NCCCO AIFCHEM-6439483137 [0,1,0,1,0,0|2,0,0]=4 250 B12R1.32 CN(CCO)CC1CCCCC1 AIFCHEM-94548503781 [0,1,0,1,0,0|2,0,0]=4 251 B12R1.32 COCC(=O)NC1CCCOC1 AIFCHEM-5874422585 [0,1,0,1,0,0|2,0,0]=4 252 B12R1.32 COCC(=O)NC1CCSCC1 AIFCHEM-94574193018 [0,1,0,1,0,0|2,0,0]=4 253 B12R1.32 COCC(=O)N[C@@H]1CCCOC1 AIFCHEM-94588278087 [0,1,0,1,0,0|2,0,0]=4 254 B12R1.51 CSCC(=O)NCC1CCOC1 AIFCHEM-5888810096 [0,1,0,1,0,0|2,0,0]=4 255 B12R1.51 CSCC(=O)NC[C@@H]1CCOC1 AIFCHEM-94530326850 [0,1,0,1,0,0|2,0,0]=4 256 B12R1.51 CSCC(=O)NC[C@H]1CCOC1 AIFCHEM-6070292062 [0,1,0,1,0,0|2,0,0]=4 257 B12R1.51 N#CCC(=O)NCC1CCCC1 AIFCHEM-94559919270 [0,1,0,1,0,0|1,0,1]=4 258 B12R1.51 O=C(CCO)NCC1CCCC1 AIFCHEM-6158955683 [0,1,0,1,0,0|1,0,0]=3 259 B12R1.51 O=C(CCO)NC[C@@H]1CCCO1 AIFCHEM-94573418588 [0,1,0,1,0,0|2,0,0]=4 260 B12R1.51 O=C(CCO)NC[C@H]1CCCO1 AIFCHEM-5601536774 [0,1,0,1,0,0|2,0,0]=4 261 B12R1.62 CCCCCCCN1CC(C1)O AIFCHEM-94589454820 [0,1,0,1,0,0|2,0,0]=4 262 B12R1.308 CC#CC(=O)N1CCCC[C@@H]1C AIFCHEM-5890090581 [0,1,0,1,0,0|1,0,1]=4 263 B12R1.308 CC#CC(=O)N1CCCC[C@H]1C AIFCHEM-5721843155 [0,1,0,1,0,0|1,0,1]=4 264 B12R1.308 COCC(=O)N1CCCC[C@@H]1C AIFCHEM-5970672272 [0,1,0,1,0,0|1,0,0]=3 265 B12R1.308 COCC(=O)N1CCCC[C@H]1C AIFCHEM-5743637479 [0,1,0,1,0,0|1,0,0]=3 266 B12R1.308 C[C@H]1CCCCN1C(=O)CCO AIFCHEM-94588094631 [0,1,0,1,0,0|1,0,0]=3 267 B12R1.315 CCNC(=O)CNCC1CCC1 AIFCHEM-5868858602 [0,1,0,1,0,0|1,0,0]=3 268 B12R1.316 CCC1CCCN1C(=O)CCO AIFCHEM-5834860281 [0,1,0,1,0,0|1,0,0]=3 269 B12R1.316 CCNC(=O)[C@@H]1CCCN1CC AIFCHEM-94537423154 [0,1,0,1,0,0|1,0,0]=3 270 B12R1.316 CCOC(=O)[C@@H]1CCCN1CC AIFCHEM-94537420341 [0,1,0,1,0,0|1,0,0]=3 271 B12R1.316 CCOC(=O)[C@@H]1CSCN1CC AIFCHEM-94537426089 [0,1,0,1,0,0|2,0,0]=4 272 B12R1.316 CCOC(=O)[C@H]1CCCN1CC AIFCHEM-94537414421 [0,1,0,1,0,0|1,0,0]=3 273 B12R1.348 CCCCN1CCCC(CC1)F AIFCHEM-94523031232 [0,1,0,1,0,0|1,0,1]=4 274 B12R1.923 CCCCCCNC(=O)C1CC1 AIFCHEM-6103805373 [0,1,0,1,0,0|1,0,0]=3 275 B12R1.1564 CSCC(=O)N1CCCOCC1 AIFCHEM-94553872317 [0,1,0,1,0,0|2,0,0]=4 276 B12R1.1 CCCCNC1CCC(CC1)F AIFCHEM-94525996950 [0,1,0,1,0,0|1,0,1]=4 277 B12R1.1 CCNCCC1CCN(CC1)C AIFCHEM-94537418116 [0,1,0,1,0,0|2,0,0]=4 278 B12R1.1 CSCCNC1CCS(=O)CC1 AIFCHEM-94598920387 [0,1,0,1,0,0|2,0,0]=4 279 B12R1.7 CCCCNCC1CCN(C1)C AIFCHEM-94523030609 [0,1,0,1,0,0|2,0,0]=4 280 B12R1.7 CCCCNCC1CNC(=O)C1 AIFCHEM-94523031470 [0,1,0,1,0,0|1,0,0]=3 281 B12R1.7 CSCCCNC1COC(=O)C1 AIFCHEM-94529054507 [0,1,0,1,0,0|2,0,0]=4 282 B12R1.7 CSCCCN[C@@H]1COC(=O)C1 AIFCHEM-94546173991 [0,1,0,1,0,0|2,0,0]=4 283 B12R1.7 CSCCCN[C@H]1COC(=O)C1 AIFCHEM-94546173992 [0,1,0,1,0,0|2,0,0]=4 284 B12R1.27 CCC(=O)NCC1CCCCO1 AIFCHEM-94560329363 [0,1,0,1,0,0|1,0,0]=3 285 B12R1.27 CCC(F)CNC1CCCCC1 AIFCHEM-94601787259 [0,1,0,1,0,0|1,0,1]=4 286 B12R1.27 CCC(O)CNC1CCCCC1 AIFCHEM-94601787020 [0,1,0,1,0,0|0,0,2]=4 287 B12R1.27 CC[C@@H](O)CNC1CCCCC1 AIFCHEM-94601787018 [0,1,0,1,0,0|0,0,2]=4 288 B12R1.27 CNC(=O)CNC1CCCOC1 AIFCHEM-94562542416 [0,1,0,1,0,0|2,0,0]=4 289 B12R1.27 CNC(=O)CNC1CCCSC1 AIFCHEM-94562541923 [0,1,0,1,0,0|2,0,0]=4 290 B12R1.27 COC(=O)CNC1CCCCC1 AIFCHEM-94601795234 [0,1,0,1,0,0|1,0,0]=3 291 B12R1.27 O=C(CO)NCC1CCCCO1 AIFCHEM-94560326878 [0,1,0,1,0,0|2,0,0]=4 292 B12R1.27 O=C(CO)NCC1CCCOC1 AIFCHEM-5846554742 [0,1,0,1,0,0|2,0,0]=4 293 B12R1.82 CCC(=O)NC1CCCC1C#N AIFCHEM-94526510577 [0,1,0,1,0,0|1,0,1]=4 294 B12R1.82 CCN1CCC[C@H]1CC(=O)OC AIFCHEM-94537419343 [0,1,0,1,0,0|1,0,0]=3 295 B12R1.271 CCCCCCCN[C@@H]1C[C@H]1C AIFCHEM-94589465165 [0,1,0,1,0,0|1,0,1]=4 296 B12R1.291 CCN[C@H]1CCC[C@H]1C(=O)OC AIFCHEM-94537413106 [0,1,0,1,0,0|1,0,0]=3 297 B12R1.353 CNC(=O)CNC1CCSC1C AIFCHEM-94562540972 [0,1,0,1,0,0|2,0,0]=4 298 B12R1.356 CCC(=O)NCCNC1COC1 AIFCHEM-94532527277 [0,1,0,1,0,0|2,0,0]=4 299 B12R1.356 COC(=O)CCCNC1CCC1 AIFCHEM-94576046570 [0,1,0,1,0,0|1,0,0]=3 300 B12R1.356 COC(=O)CCCNC1CSC1 AIFCHEM-94592434753 [0,1,0,1,0,0|2,0,0]=4 301 B12R1.360 CCC(=O)NCCNCC1CC1 AIFCHEM-94532523621 [0,1,0,1,0,0|1,0,0]=3 302 B12R1.360 COC(=O)CCCNCC1CC1 AIFCHEM-6091155790 [0,1,0,1,0,0|1,0,0]=3 303 B12R1.371 C#CC(=O)NC1CCCCC1C AIFCHEM-94525201363 [0,1,0,1,0,0|0,0,2]=4 304 B12R1.371 C#CC(=O)N[C@@H]1CCCC[C@@H]1C AIFCHEM-94525202083 [0,1,0,1,0,0|0,0,2]=4 305 B12R1.371 C#CC(=O)N[C@@H]1CCCC[C@H]1C AIFCHEM-94525198590 [0,1,0,1,0,0|0,0,2]=4 306 B12R1.371 C#CC(=O)N[C@H]1CCCC[C@H]1C AIFCHEM-94525202082 [0,1,0,1,0,0|0,0,2]=4 307 B12R1.371 CCC(=O)N[C@@H]1CCCC[C@H]1F AIFCHEM-94526510207 [0,1,0,1,0,0|1,0,0]=3 308 B12R1.477 CCC(=O)NCCN1CCCC1 AIFCHEM-94526509910 [0,1,0,1,0,0|1,0,0]=3 309 B12R1.477 COC(=O)CCNC1CCCC1 AIFCHEM-94541525880 [0,1,0,1,0,0|1,0,0]=3 310 B12R1.43 CC(C)N(C)CC1CCCCC1 AIFCHEM-94547937615 [0,1,0,1,0,0|2,0,0]=4 311 B12R1.43 CC(O)C(=O)NC1CCCCC1 AIFCHEM-94560385013 [0,1,0,1,0,0|1,0,0]=3 312 B12R1.43 C[C@@H](O)C(=O)NC1CCCCC1 AIFCHEM-5905762940 [0,1,0,1,0,0|1,0,0]=3 313 B12R1.43 C[C@H](O)C(=O)NC1CCCCC1 AIFCHEM-5907708693 [0,1,0,1,0,0|1,0,0]=3 314 B12R1.264 CC(O)C(=O)NCC1CCCC1 AIFCHEM-94540233518 [0,1,0,1,0,0|1,0,0]=3 315 B12R1.264 CN(C)C(=O)CNC1CCCC1 AIFCHEM-94541530516 [0,1,0,1,0,0|2,0,0]=4 316 B12R1.264 C[C@@H](O)C(=O)NCC1CCCC1 AIFCHEM-6158277103 [0,1,0,1,0,0|1,0,0]=3 317 B12R1.264 C[C@H](O)C(=O)NCC1CCCC1 AIFCHEM-94573927956 [0,1,0,1,0,0|1,0,0]=3 318 B12R1.457 CCCCNC1CC(=O)N(C1)C AIFCHEM-94523043585 [0,1,0,1,0,0|2,0,0]=4 319 B12R1.457 CCCNCC1CC(=O)N(C1)C AIFCHEM-94569024351 [0,1,0,1,0,0|2,0,0]=4 320 B12R1.2197 CC(O)C(=O)N1CCCOCC1 AIFCHEM-94571307689 [0,1,0,1,0,0|2,0,0]=4 321 B12R1.2197 C[C@@H](O)C(=O)N1CCCOCC1 AIFCHEM-94553868149 [0,1,0,1,0,0|2,0,0]=4 322 B12R1.2197 C[C@H](O)C(=O)N1CCCOCC1 AIFCHEM-94553876173 [0,1,0,1,0,0|2,0,0]=4 323 B12R1.528 CCCCNC1CCS(=O)(=O)C1 AIFCHEM-94523038643 [0,1,0,1,0,0|2,0,0]=4 324 B12R1.528 CCCCN[C@@H]1CCS(=O)(=O)C1 AIFCHEM-94523043603 [0,1,0,1,0,0|2,0,0]=4 325 B12R1.528 CCCCN[C@H]1CCS(=O)(=O)C1 AIFCHEM-94523043604 [0,1,0,1,0,0|2,0,0]=4 326 B12R1.71 CCCCN1CCN(CC1)N=O AIFCHEM-94535495497 [0,1,0,1,0,0|2,0,0]=4 327 B12R1.334 CCCCN1CC(C1)C(=O)NC AIFCHEM-94523042464 [0,1,0,1,0,0|2,0,0]=4 328 B12R1.354 CCC(=O)N1C[C@@H](OC[C@@H]1C)C AIFCHEM-94530530278 [0,1,0,1,0,0|2,0,0]=4 329 B12R1.354 CCC(=O)N1C[C@@H](OC[C@H]1C)C AIFCHEM-94598495219 [0,1,0,1,0,0|2,0,0]=4 330 B12R1.354 CCC(=O)N1C[C@H](OC[C@H]1C)C AIFCHEM-94526503235 [0,1,0,1,0,0|2,0,0]=4 331 B12R1.908 CNC(=O)CNC(C)C1CCC1 AIFCHEM-94562542873 [0,1,0,1,0,0|2,0,0]=4 332 B12R1.908 COC(=O)CCN(C)C1CCC1 AIFCHEM-94576051357 [0,1,0,1,0,0|2,0,0]=4 333 B12R1.910 COC(=O)CCC(C)NC1CC1 AIFCHEM-94573317253 [0,1,0,1,0,0|2,0,0]=4 334 B12R1.49 CCC(=O)NC1CCC(=O)CC1 AIFCHEM-94526509586 [0,1,0,1,0,0|1,0,1]=4 335 B12R1.1658 CC1CCCN(CC1)C(=O)CO AIFCHEM-94532687057 [0,1,0,1,0,0|2,0,0]=4 336 B12R1.21 CC(O)CNC1CCS(=O)CC1 AIFCHEM-94558282034 [0,1,0,1,0,0|2,0,0]=4 337 B12R1.50 CCC(=O)NC1CCCC(C1)C AIFCHEM-94526509652 [0,1,0,1,0,0|1,0,0]=3 338 B12R1.224 CC(C)CN1CCNC(=O)C1C AIFCHEM-94572978326 [0,1,0,1,0,0|2,0,0]=4 339 B12R1.224 CC(C)CN1CCNC(=O)[C@@H]1C AIFCHEM-94572984784 [0,1,0,1,0,0|2,0,0]=4 340 B12R1.224 CC(C)CN1CCNC(=O)[C@H]1C AIFCHEM-94572986471 [0,1,0,1,0,0|2,0,0]=4 341 B12R1.34 CCC(=O)N(C)C1CCCCC1 AIFCHEM-94526498824 [0,1,0,1,0,0|1,0,0]=3 342 B12R1.34 CCC(=O)N(C)C1CCOCC1 AIFCHEM-94558627842 [0,1,0,1,0,0|2,0,0]=4 343 B12R1.179 CCCN1CCC(C1)C(=O)NC AIFCHEM-94569011900 [0,1,0,1,0,0|2,0,0]=4 344 B12R1.470 CNC(=O)C(C)NCC1CCC1 AIFCHEM-5807141034 [0,1,0,1,0,0|2,0,0]=4 345 B12R1.470 CNC(=O)[C@@H](C)NCC1CCC1 AIFCHEM-5991950526 [0,1,0,1,0,0|2,0,0]=4 346 B12R1.470 CNC(=O)[C@H](C)NCC1CCC1 AIFCHEM-5953889690 [0,1,0,1,0,0|2,0,0]=4 347 B12R1.470 COC(=O)C(C)CNC1CCC1 AIFCHEM-94576058754 [0,1,0,1,0,0|2,0,0]=4 348 B12R1.1096 CCCN1CCC(=O)N(CC1)C AIFCHEM-94569017371 [0,1,0,1,0,0|2,0,0]=4 349 B12R1.15 CCC(=O)NC(C)C1CCCC1 AIFCHEM-94526502744 [0,1,0,1,0,0|1,0,0]=3 350 B12R1.15 CCC(=O)N[C@H](C)C1CCCC1 AIFCHEM-94526502345 [0,1,0,1,0,0|1,0,0]=3 351 B12R1.177 CCCN1CC(C1)CC(=O)OC AIFCHEM-94569011492 [0,1,0,1,0,0|2,0,0]=4 352 B12R1.303 COC(=O)CC(C)N[C@@H]1C[C@H]1C AIFCHEM-94559005505 [0,1,0,1,0,0|2,0,0]=4 353 B12R1.304 CNC(=O)CN(C)CC1CCC1 AIFCHEM-94608444035 [0,1,0,1,0,0|2,0,0]=4 354 B12R1.3441 CC1CCCC(N1C(=O)CO)C AIFCHEM-94532683059 [0,1,0,1,0,0|2,0,0]=4 355 B12R1.3441 CCC(=O)N1C(CCCC1C)C AIFCHEM-94544340654 [0,1,0,1,0,0|1,0,0]=3 356 B12R1.3441 CCC(=O)N1[C@@H](CCC[C@@H]1C)C AIFCHEM-94526506272 [0,1,0,1,0,0|1,0,0]=3 357 B12R1.3441 C[C@@H]1CCC[C@@H](N1C(=O)CO)C AIFCHEM-94532685518 [0,1,0,1,0,0|2,0,0]=4 358 B12R2.2302 O=C1CCC(CN1)N2CCC2 AIFCHEM-94604922816 [0,0,0,2,0,0|2,0,0]=4 359 B12R2.78 C[C@@H]1C[C@H]1NC2CNC(=O)C2 AIFCHEM-94559008935 [0,0,0,2,0,0|2,0,0]=4 360 B12R2.78 C[C@@H]1C[C@H]1NC2COC(=O)C2 AIFCHEM-94559009452 [0,0,0,2,0,0|2,0,0]=4 361 B12R2.2301 O=C1CC(CO1)NC2CCC2 AIFCHEM-94537766271 [0,0,0,2,0,0|2,0,0]=4 362 B12R2.2301 O=C1C[C@@H](CO1)NC2CCC2 AIFCHEM-94576045023 [0,0,0,2,0,0|2,0,0]=4 363 B12R2.2301 O=C1C[C@H](CO1)NC2CCC2 AIFCHEM-94576045024 [0,0,0,2,0,0|2,0,0]=4