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CC(C)CNCCCCC#N AIFCHEM-94572982791 [0,1,0,0,0,0|2,0,1]=4 16 B10R0.4 CCCCCCNCC(C)C AIFCHEM-94572974669 [0,1,0,0,0,0|2,0,1]=4 17 B10R0.4 CCCCCNCCC(C)O AIFCHEM-94551432719 [0,1,0,0,0,0|1,0,2]=4 18 B10R0.4 CCCCCNCC[C@H](C)O AIFCHEM-94544710523 [0,1,0,0,0,0|1,0,2]=4 19 B10R0.4 CCCCNCCNC(=O)C AIFCHEM-94523027506 [0,1,0,0,0,0|2,0,0]=3 20 B10R0.4 CCCCNCCNC(=O)N AIFCHEM-94523033959 [0,1,0,0,0,0|2,0,0]=3 21 B10R0.4 CCCCNCCOC(=O)C AIFCHEM-94523034395 [0,1,0,0,0,0|2,0,0]=3 22 B10R0.4 CSCCCNCCC(C)O AIFCHEM-94546182420 [0,1,0,0,0,0|3,0,0]=4 23 B10R0.4 CSCCCNCC[C@H](C)O AIFCHEM-94546175128 [0,1,0,0,0,0|3,0,0]=4 24 B10R0.4 O=C(O)CNCCCCCO AIFCHEM-5913012506 [0,1,0,0,0,0|2,0,0]=3 25 B10R0.71 CCCCCNCCOCC AIFCHEM-94548602786 [0,1,0,0,0,0|2,0,1]=4 26 B10R0.71 CCCCNCCOCCO AIFCHEM-5751576795 [0,1,0,0,0,0|1,0,2]=4 27 B10R0.71 CCCCOCCCNCC AIFCHEM-94537416494 [0,1,0,0,0,0|2,0,1]=4 28 B10R0.71 CCCNCCCOCCO AIFCHEM-94569024858 [0,1,0,0,0,0|1,0,2]=4 29 B10R0.71 CCNCCCCCCCO AIFCHEM-94537417528 [0,1,0,0,0,0|0,0,2]=3 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AIFCHEM-94541526683 [0,0,0,1,0,0|3,0,0]=4 45 B10R1.29 CCCNC1CCCC1O AIFCHEM-94581021104 [0,0,0,1,0,0|1,0,2]=4 46 B10R1.29 CCCNC1CCNC1=O AIFCHEM-94569009858 [0,0,0,1,0,0|2,0,0]=3 47 B10R1.29 CCCN[C@@H]1CCC[C@@H]1O AIFCHEM-94584443780 [0,0,0,1,0,0|1,0,2]=4 48 B10R1.29 CCCN[C@@H]1CCC[C@H]1O AIFCHEM-94569017210 [0,0,0,1,0,0|1,0,2]=4 49 B10R1.29 CCCN[C@@H]1CCNC1=O AIFCHEM-94577677174 [0,0,0,1,0,0|2,0,0]=3 50 B10R1.29 CCCN[C@H]1CCC[C@@H]1O AIFCHEM-94569021468 [0,0,0,1,0,0|1,0,2]=4 51 B10R1.29 CCCN[C@H]1CCC[C@H]1O AIFCHEM-94557833107 [0,0,0,1,0,0|1,0,2]=4 52 B10R1.29 CCCN[C@H]1CCNC1=O AIFCHEM-94569020011 [0,0,0,1,0,0|2,0,0]=3 53 B10R1.29 CCNCC1CCCN1C AIFCHEM-94537419364 [0,0,0,1,0,0|3,0,0]=4 54 B10R1.29 CCNC[C@@H]1CCCN1C AIFCHEM-94537418524 [0,0,0,1,0,0|3,0,0]=4 55 B10R1.29 CCNC[C@H]1CCCN1C AIFCHEM-94537424203 [0,0,0,1,0,0|3,0,0]=4 56 B10R1.56 CCCCNC[C@@H]1C[C@H]1C AIFCHEM-94523033944 [0,0,0,1,0,0|2,0,1]=4 57 B10R1.57 CCCCNCC1CCO1 AIFCHEM-94567674297 [0,0,0,1,0,0|1,0,2]=4 58 B10R1.57 CCCCNC[C@@H]1CCO1 AIFCHEM-94523034466 [0,0,0,1,0,0|1,0,2]=4 59 B10R1.57 CCCCNC[C@H]1CCO1 AIFCHEM-94523034462 [0,0,0,1,0,0|1,0,2]=4 60 B10R1.57 CSCCCNC1CCC1 AIFCHEM-94546184990 [0,0,0,1,0,0|3,0,0]=4 61 B10R1.177 CSCCCNCC1CC1 AIFCHEM-94529051916 [0,0,0,1,0,0|3,0,0]=4 62 B7R0.1 CCCCNCCC AIFCHEM-94569018116 [2,0,0,0,0,0|1,0,0]=3 63 B7R0.1 CCNCCSCC AIFCHEM-94537422686 [2,0,0,0,0,0|2,0,0]=4 64 B9R0.2 CCCCCNCC(C)C AIFCHEM-94563719037 [1,1,0,0,0,0|1,0,1]=4 65 B9R0.2 CCCNCCCC(=O)O AIFCHEM-94569019960 [1,1,0,0,0,0|1,0,0]=3 66 B9R0.2 CCCNCCNC(=O)N AIFCHEM-94569014729 [1,1,0,0,0,0|2,0,0]=4 67 B9R0.2 CCCNCCOC(=O)C AIFCHEM-94569015165 [1,1,0,0,0,0|2,0,0]=4 68 B9R0.2 CCNCCCNC(=O)C AIFCHEM-94537421360 [1,1,0,0,0,0|2,0,0]=4 69 B9R0.2 CCNCCOCC(=O)O AIFCHEM-94537411644 [1,1,0,0,0,0|2,0,0]=4 70 B9R0.2 CCNCCSCC(=O)O AIFCHEM-94535042891 [1,1,0,0,0,0|2,0,0]=4 71 B9R0.2 CCOCCCNC(=O)C AIFCHEM-94535598214 [1,1,0,0,0,0|2,0,0]=4 72 B9R0.5 CCCC(C)NCCCO AIFCHEM-94606112170 [1,1,0,0,0,0|1,0,1]=4 73 B9R0.5 CCCCCN(C)CCO AIFCHEM-94551423596 [1,1,0,0,0,0|1,0,1]=4 74 B9R0.18 CCNC[C@H](C)CCCO AIFCHEM-94537418110 [1,1,0,0,0,0|1,0,1]=4 75 B9R0.46 CCC(C)CNCCCO AIFCHEM-6421321424 [1,1,0,0,0,0|1,0,1]=4 76 B9R0.46 CCCNCCC(C)CO AIFCHEM-94569018822 [1,1,0,0,0,0|1,0,1]=4 77 B11R0.2 CCCCCCC(C)NC(=O)C AIFCHEM-94605355494 [0,2,0,0,0,0|1,0,0]=3 78 B11R0.2 CCCCCC[C@@H](C)NC(=O)C AIFCHEM-94605352297 [0,2,0,0,0,0|1,0,0]=3 79 B11R0.2 CCCCCC[C@H](C)NC(=O)C AIFCHEM-94605352296 [0,2,0,0,0,0|1,0,0]=3 80 B11R0.2 CCCCCNC(=O)CC(=O)N AIFCHEM-94522660717 [0,2,0,0,0,0|1,0,1]=4 81 B11R0.2 CN(CCCCCO)CC(=O)O AIFCHEM-5621296516 [0,2,0,0,0,0|2,0,0]=4 82 B11R0.81 CCCCC(C)NCCCCO AIFCHEM-94541393504 [0,2,0,0,0,0|0,0,2]=4 83 B11R0.81 CCCCCNC(C)CCCC AIFCHEM-94541391103 [0,2,0,0,0,0|1,0,1]=4 84 B11R0.81 CCCCCN[C@H](C)CCCC AIFCHEM-94551436116 [0,2,0,0,0,0|1,0,1]=4 85 B11R0.81 CCCCN(C)CCCCCO AIFCHEM-94523035894 [0,2,0,0,0,0|0,0,2]=4 86 B11R0.81 CCCCNC[C@H](C)CCCO AIFCHEM-94603287400 [0,2,0,0,0,0|0,0,2]=4 87 B11R0.176 CC(CCO)NCCCC(=O)N AIFCHEM-5921936503 [0,2,0,0,0,0|2,0,0]=4 88 B11R0.176 CCCC(C)NCCNC(=O)C AIFCHEM-94606107925 [0,2,0,0,0,0|2,0,0]=4 89 B11R0.176 CCCC(C)NCCNC(=O)N AIFCHEM-94606114378 [0,2,0,0,0,0|2,0,0]=4 90 B11R0.30 CC(=O)NCCCNCC(C)C AIFCHEM-94572980697 [0,2,0,0,0,0|2,0,0]=4 91 B11R0.40 CCCCCNCCC(C)SC AIFCHEM-94552819181 [0,2,0,0,0,0|2,0,0]=4 92 B11R0.40 CNC(=O)CNCCCCCO AIFCHEM-94562543612 [0,2,0,0,0,0|2,0,0]=4 93 B11R0.40 COC(=O)CCCNCCSC AIFCHEM-94592445028 [0,2,0,0,0,0|2,0,0]=4 94 B11R0.42 CSCCCNCC(C)C(=O)O AIFCHEM-94526938106 [0,2,0,0,0,0|2,0,0]=4 95 B11R0.42 CSCCCNC[C@@H](C)C(=O)O AIFCHEM-94546179582 [0,2,0,0,0,0|2,0,0]=4 96 B11R0.42 CSCCCNC[C@H](C)C(=O)O AIFCHEM-94548735329 [0,2,0,0,0,0|2,0,0]=4 97 B11R0.46 CCCCNC(=O)CCC(=O)N AIFCHEM-94563285423 [0,2,0,0,0,0|1,0,1]=4 98 B11R0.46 CSCCCN(C)CCC(=O)O AIFCHEM-94553135028 [0,2,0,0,0,0|2,0,0]=4 99 B11R0.111 CCC(=O)NCCCCC(=O)N AIFCHEM-94526512387 [0,2,0,0,0,0|1,0,1]=4 100 B11R0.148 CC(C)CCNCCCCCO AIFCHEM-6093683701 [0,2,0,0,0,0|0,0,2]=4 101 B11R0.148 CCCCCCCNCC(C)O AIFCHEM-94558280483 [0,2,0,0,0,0|0,0,2]=4 102 B11R0.148 CCCCCCCNC[C@@H](C)O AIFCHEM-94589457128 [0,2,0,0,0,0|0,0,2]=4 103 B11R0.148 CCCCCCCNC[C@H](C)O AIFCHEM-94589457129 [0,2,0,0,0,0|0,0,2]=4 104 B11R0.148 CCCCCNCCCC(=O)N AIFCHEM-94551425838 [0,2,0,0,0,0|0,0,0]=2 105 B11R0.148 CCNCCCCCCC(=O)O AIFCHEM-94537427208 [0,2,0,0,0,0|0,0,0]=2 106 B11R0.148 CCNCCCCCNC(=O)C AIFCHEM-94537420207 [0,2,0,0,0,0|1,0,0]=3 107 B11R0.148 CSCCCNCCCC(C)C AIFCHEM-94546173826 [0,2,0,0,0,0|2,0,0]=4 108 B11R0.148 CSCCCNCCCS(=O)C AIFCHEM-94546178921 [0,2,0,0,0,0|2,0,0]=4 109 B11R0.148 CSCCCNCCNC(=O)N AIFCHEM-94546178871 [0,2,0,0,0,0|2,0,0]=4 110 B11R0.148 CSCCCNCCOC(=O)C AIFCHEM-94546179307 [0,2,0,0,0,0|2,0,0]=4 111 B11R0.3 CCCCCCCCNCCC AIFCHEM-5814644882 [0,2,0,0,0,0|1,0,1]=4 112 B11R0.3 CCCCCCCNCCCO AIFCHEM-94523160504 [0,2,0,0,0,0|0,0,2]=4 113 B11R0.3 CCCCCNCCOCCO AIFCHEM-94551431702 [0,2,0,0,0,0|0,0,2]=4 114 B11R0.3 CCSCCNCCCCCO AIFCHEM-6054541225 [0,2,0,0,0,0|0,0,2]=4 115 B11R0.140 CCCCCC(C)NCCSC AIFCHEM-94564405003 [0,2,0,0,0,0|2,0,0]=4 116 B11R0.140 CCCCCN(C)CCCSC AIFCHEM-94546180480 [0,2,0,0,0,0|2,0,0]=4 117 B9R1.8 CCNC1CCCCC1 AIFCHEM-94537419387 [1,0,0,1,0,0|1,0,1]=4 118 B9R1.12 OCCNC1CCCC1 AIFCHEM-94577775719 [1,0,0,1,0,0|1,0,1]=4 119 B9R1.14 CCC1CCCN1CC AIFCHEM-94537424244 [1,0,0,1,0,0|1,0,1]=4 120 B9R1.16 CCCCNC1CC1F AIFCHEM-94523030738 [1,0,0,1,0,0|2,0,0]=4 121 B9R1.16 CCCCN[C@@H]1C[C@@H]1F AIFCHEM-94523031538 [1,0,0,1,0,0|2,0,0]=4 122 B9R1.16 CCCCN[C@@H]1C[C@H]1F AIFCHEM-94523028706 [1,0,0,1,0,0|2,0,0]=4 123 B9R1.16 CCCCN[C@H]1C[C@@H]1F AIFCHEM-94523032760 [1,0,0,1,0,0|2,0,0]=4 124 B9R1.16 CCCCN[C@H]1C[C@H]1F AIFCHEM-94523031537 [1,0,0,1,0,0|2,0,0]=4 125 B9R1.16 CCCNC[C@@H]1C[C@H]1C AIFCHEM-94599414203 [1,0,0,1,0,0|1,0,1]=4 126 B9R1.17 O=COCNC1CCC1 AIFCHEM-94576055850 [1,0,0,1,0,0|2,0,0]=4 127 B9R1.33 CCCN1CCCC1C AIFCHEM-94569019823 [1,0,0,1,0,0|1,0,1]=4 128 B9R1.33 CCCN1CCC[C@@H]1C AIFCHEM-94569013885 [1,0,0,1,0,0|1,0,1]=4 129 B9R1.33 CCCN1CCC[C@H]1C AIFCHEM-94548508901 [1,0,0,1,0,0|1,0,1]=4 130 B9R1.39 CCCN[C@@H]1CC[C@H]1O AIFCHEM-94569013357 [1,0,0,1,0,0|1,0,1]=4 131 B11R1.4 CCCCCNC1CCSC1 AIFCHEM-94552817338 [0,1,0,1,0,0|2,0,0]=4 132 B11R1.4 OCCCNCC1CCCC1 AIFCHEM-94523166139 [0,1,0,1,0,0|0,0,2]=4 133 B11R1.24 CCCNC1CCNC(=O)C1 AIFCHEM-94569013012 [0,1,0,1,0,0|2,0,0]=4 134 B11R1.117 CCCN1CCCCCCC1 AIFCHEM-94569009342 [0,1,0,1,0,0|1,0,1]=4 135 B11R1.180 CC1CCCC1NCCC#N AIFCHEM-5716699425 [0,1,0,1,0,0|1,0,1]=4 136 B11R1.180 CCCCNC1CONC1=O AIFCHEM-94523040664 [0,1,0,1,0,0|2,0,0]=4 137 B11R1.180 CCCCN[C@@H]1CONC1=O AIFCHEM-94523040665 [0,1,0,1,0,0|2,0,0]=4 138 B11R1.180 CCCCN[C@H]1CONC1=O AIFCHEM-94523036733 [0,1,0,1,0,0|2,0,0]=4 139 B11R1.180 CCNCCC1CCCN1C AIFCHEM-94537422285 [0,1,0,1,0,0|2,0,0]=4 140 B11R1.180 CSCCCN1CCCC1C AIFCHEM-94592635537 [0,1,0,1,0,0|2,0,0]=4 141 B11R1.180 CSCCCN1CCC[C@@H]1C AIFCHEM-94569864226 [0,1,0,1,0,0|2,0,0]=4 142 B11R1.180 CSCCCN1CCC[C@H]1C AIFCHEM-94546175955 [0,1,0,1,0,0|2,0,0]=4 143 B11R1.180 CSCCNC1CCCC1C AIFCHEM-94598918871 [0,1,0,1,0,0|2,0,0]=4 144 B11R1.27 CCCCNC1CNC(=O)C1 AIFCHEM-94570972996 [0,1,0,1,0,0|2,0,0]=4 145 B11R1.27 CCCCN[C@H]1CNC(=O)C1 AIFCHEM-94523033306 [0,1,0,1,0,0|2,0,0]=4 146 B11R1.27 CCCNCC1CCC(=O)N1 AIFCHEM-94569009564 [0,1,0,1,0,0|1,0,0]=3 147 B11R1.27 CCCNC[C@@H]1CCC(=O)N1 AIFCHEM-94569015803 [0,1,0,1,0,0|1,0,0]=3 148 B11R1.27 CCCNC[C@H]1CCC(=O)N1 AIFCHEM-94569013841 [0,1,0,1,0,0|1,0,0]=3 149 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1F AIFCHEM-94605355983 [0,1,0,1,0,0|2,0,0]=4 150 B11R1.91 CC(=O)NCC1CCCCO1 AIFCHEM-94535598550 [0,1,0,1,0,0|2,0,0]=4 151 B11R1.91 CC(=O)NCC1CCOCC1 AIFCHEM-5666836565 [0,1,0,1,0,0|2,0,0]=4 152 B11R1.99 CCCCCCNCC1CC1 AIFCHEM-94571762776 [0,1,0,1,0,0|1,0,1]=4 153 B11R1.99 CCCCCNCCC1CC1 AIFCHEM-94551438227 [0,1,0,1,0,0|1,0,1]=4 154 B11R1.99 CSCCCNCCC1CC1 AIFCHEM-94546191088 [0,1,0,1,0,0|2,0,0]=4 155 B11R1.99 N#CCCCCNCC1CC1 AIFCHEM-94558538338 [0,1,0,1,0,0|1,0,1]=4 156 B11R1.99 OCCCCCNCC1CC1 AIFCHEM-5911111569 [0,1,0,1,0,0|0,0,2]=4 157 B11R1.172 NC(=O)CCNC1CCOC1 AIFCHEM-5913395627 [0,1,0,1,0,0|2,0,0]=4 158 B11R1.174 O=C(O)NCCNC1CCC1 AIFCHEM-94535743622 [0,1,0,1,0,0|2,0,0]=4 159 B11R1.193 CCCN1CCCC1C(=O)O AIFCHEM-94569020567 [0,1,0,1,0,0|1,0,0]=3 160 B11R1.193 CCCN1CCC[C@@H]1C(=O)O AIFCHEM-94569017577 [0,1,0,1,0,0|1,0,0]=3 161 B11R1.193 CCCN1CCC[C@H]1C(=O)O AIFCHEM-94569022460 [0,1,0,1,0,0|1,0,0]=3 162 B11R1.193 CCCN1COCC1C(=O)O AIFCHEM-94604005934 [0,1,0,1,0,0|2,0,0]=4 163 B11R1.193 COC[C@@H]1CCCN1C(=O)C AIFCHEM-94605354948 [0,1,0,1,0,0|2,0,0]=4 164 B11R1.193 COC[C@H]1CCCN1C(=O)C AIFCHEM-5942050058 [0,1,0,1,0,0|2,0,0]=4 165 B11R1.17 CC1CCCCC1NCCF AIFCHEM-5861590832 [0,1,0,1,0,0|1,0,1]=4 166 B11R1.17 CCCNC1CCCNC1=O AIFCHEM-94569012080 [0,1,0,1,0,0|1,0,0]=3 167 B11R1.17 CCCN[C@@H]1CCCNC1=O AIFCHEM-94569018432 [0,1,0,1,0,0|1,0,0]=3 168 B11R1.17 CCCN[C@H]1CCCNC1=O AIFCHEM-94569018641 [0,1,0,1,0,0|1,0,0]=3 169 B11R1.18 CCC1CCCC1NCCO AIFCHEM-94577779170 [0,1,0,1,0,0|0,0,2]=4 170 B11R1.18 CCCCN1CCCC1CC AIFCHEM-94523040557 [0,1,0,1,0,0|1,0,1]=4 171 B11R1.18 CCCNC1CCCC1CC AIFCHEM-5875578081 [0,1,0,1,0,0|1,0,1]=4 172 B11R1.28 OCCCNC1CCCCC1 AIFCHEM-94601787691 [0,1,0,1,0,0|0,0,2]=4 173 B11R1.41 CCCN1CCCCC1CC AIFCHEM-94569012819 [0,1,0,1,0,0|1,0,1]=4 174 B11R1.47 CCCCCCCN1CCC1 AIFCHEM-94604918926 [0,1,0,1,0,0|1,0,1]=4 175 B11R1.47 OCCCCCNC1CCC1 AIFCHEM-94576051452 [0,1,0,1,0,0|0,0,2]=4 176 B11R1.190 CC1CCN1CCCCCO AIFCHEM-6087039815 [0,1,0,1,0,0|0,0,2]=4 177 B11R1.190 C[C@@H]1CCN1CCCCCO AIFCHEM-6230574580 [0,1,0,1,0,0|0,0,2]=4 178 B11R1.190 C[C@H]1CCN1CCCCCO AIFCHEM-5740921423 [0,1,0,1,0,0|0,0,2]=4 179 B11R1.203 CCNCC1CCCCCC1 AIFCHEM-94532085883 [0,1,0,1,0,0|1,0,1]=4