0 B9R0.45 CCCCCNCCCC AIFCHEM-94522650615 [0,0,0,0,0,0|2,0,1]=3 1 B9R0.45 CCNCCCOCCO AIFCHEM-94537427775 [0,0,0,0,0,0|2,0,1]=3 2 B9R0.45 CSCCCNCCCO AIFCHEM-94546176663 [0,0,0,0,0,0|2,0,1]=3 3 B9R0.45 OCCNCCOCCO AIFCHEM-94577777063 [0,0,0,0,0,0|3,0,1]=4 4 B8R0.4 CCNCCOCCO AIFCHEM-94537420178 [1,0,0,0,0,0|2,0,0]=3 5 B8R0.4 CCNCCSCCO AIFCHEM-94537419052 [1,0,0,0,0,0|2,0,0]=3 6 B10R0.1 CC(CCO)NCCCCO AIFCHEM-6488390426 [0,1,0,0,0,0|2,0,1]=4 7 B10R0.1 CCCCCNC(=O)CC#N AIFCHEM-94559920597 [0,1,0,0,0,0|2,0,1]=4 8 B10R0.1 CCCCCNC(=O)CCO AIFCHEM-94522662823 [0,1,0,0,0,0|1,0,0]=2 9 B10R0.1 COCCCNC(=O)CCO AIFCHEM-5663800686 [0,1,0,0,0,0|2,0,0]=3 10 B10R0.4 CCCCCCNCC(C)C AIFCHEM-94572974669 [0,1,0,0,0,0|2,0,1]=4 11 B10R0.4 CCCCCNCCC(C)O AIFCHEM-94551432719 [0,1,0,0,0,0|1,0,1]=3 12 B10R0.4 CCCCCNCC[C@H](C)O AIFCHEM-94544710523 [0,1,0,0,0,0|1,0,1]=3 13 B10R0.4 CSCCCNCCC(C)O AIFCHEM-94546182420 [0,1,0,0,0,0|2,0,1]=4 14 B10R0.4 CSCCCNCC[C@H](C)O AIFCHEM-94546175128 [0,1,0,0,0,0|2,0,1]=4 15 B10R0.71 CCCCCNCCOCC AIFCHEM-94548602786 [0,1,0,0,0,0|2,0,1]=4 16 B10R0.71 CCCCNCCOCCO AIFCHEM-5751576795 [0,1,0,0,0,0|1,0,1]=3 17 B10R0.71 CCCCOCCCNCC AIFCHEM-94537416494 [0,1,0,0,0,0|2,0,1]=4 18 B10R0.71 CCCNCCCOCCO AIFCHEM-94569024858 [0,1,0,0,0,0|1,0,1]=3 19 B10R0.71 CCNCCCCCCCO AIFCHEM-94537417528 [0,1,0,0,0,0|0,0,2]=3 20 B10R0.71 CSCCNCCOCCO AIFCHEM-94598920480 [0,1,0,0,0,0|2,0,1]=4 21 B10R0.71 OCCCNCCOCCO AIFCHEM-6438285201 [0,1,0,0,0,0|2,0,1]=4 22 B10R0.74 CCC(C)CNCCCCO AIFCHEM-6503161781 [0,1,0,0,0,0|1,0,2]=4 23 B10R0.74 CCCCCNCC(C)CC AIFCHEM-94522656373 [0,1,0,0,0,0|2,0,1]=4 24 B10R0.74 CCCCCNCC(F)CC AIFCHEM-94551426530 [0,1,0,0,0,0|2,0,1]=4 25 B10R0.74 CCCCCNC[C@@H](F)CO AIFCHEM-94551432028 [0,1,0,0,0,0|1,0,1]=3 26 B10R0.74 CCCCCNC[C@H](F)CO AIFCHEM-94551432029 [0,1,0,0,0,0|1,0,1]=3 27 B10R0.74 CCCCNCCC(C)CO AIFCHEM-94523038052 [0,1,0,0,0,0|1,0,2]=4 28 B10R0.74 CSCCCNCC(O)CO AIFCHEM-94546184798 [0,1,0,0,0,0|2,0,1]=4 29 B10R0.74 CSCCCNC[C@@H](O)CO AIFCHEM-94546185392 [0,1,0,0,0,0|2,0,1]=4 30 B10R0.74 CSCCCNC[C@H](O)CO AIFCHEM-94590564333 [0,1,0,0,0,0|2,0,1]=4 31 B10R0.91 CCCCNC(=O)C#CCO AIFCHEM-5726154354 [0,1,0,0,0,0|1,0,2]=4 32 B10R1.17 CCNCC1COCCO1 AIFCHEM-94537412836 [0,0,0,1,0,0|2,0,1]=4 33 B10R1.17 CCNC[C@@H]1COCCO1 AIFCHEM-94537415915 [0,0,0,1,0,0|2,0,1]=4 34 B10R1.17 CCNC[C@H]1COCCO1 AIFCHEM-94537415916 [0,0,0,1,0,0|2,0,1]=4 35 B10R1.21 CCCNCc1ccno1 AIFCHEM-94569018772 [0,0,0,1,0,0|2,0,1]=4 36 B10R1.21 CCCNCc1cnco1 AIFCHEM-94521366295 [0,0,0,1,0,0|2,0,1]=4 37 B10R1.21 OCCCNC1CCSC1 AIFCHEM-94523160094 [0,0,0,1,0,0|2,0,1]=4 38 B10R1.29 CCCNC1CCCC1O AIFCHEM-94581021104 [0,0,0,1,0,0|1,0,2]=4 39 B10R1.29 CCCN[C@@H]1CCC[C@@H]1O AIFCHEM-94584443780 [0,0,0,1,0,0|1,0,2]=4 40 B10R1.29 CCCN[C@@H]1CCC[C@H]1O AIFCHEM-94569017210 [0,0,0,1,0,0|1,0,2]=4 41 B10R1.29 CCCN[C@H]1CCC[C@@H]1O AIFCHEM-94569021468 [0,0,0,1,0,0|1,0,2]=4 42 B10R1.29 CCCN[C@H]1CCC[C@H]1O AIFCHEM-94557833107 [0,0,0,1,0,0|1,0,2]=4 43 B10R1.56 CCCCNC[C@@H]1C[C@H]1C AIFCHEM-94523033944 [0,0,0,1,0,0|2,0,1]=4 44 B10R1.57 CCCCNCC1CCO1 AIFCHEM-94567674297 [0,0,0,1,0,0|1,0,2]=4 45 B10R1.57 CCCCNC[C@@H]1CCO1 AIFCHEM-94523034466 [0,0,0,1,0,0|1,0,2]=4 46 B10R1.57 CCCCNC[C@H]1CCO1 AIFCHEM-94523034462 [0,0,0,1,0,0|1,0,2]=4 47 B10R1.177 OCCOCCNC1CC1 AIFCHEM-94573314338 [0,0,0,1,0,0|2,0,1]=4 48 B7R0.1 CCCCNCCC AIFCHEM-94569018116 [2,0,0,0,0,0|1,0,1]=4 49 B7R0.1 CCNCCSCC AIFCHEM-94537422686 [2,0,0,0,0,0|2,0,0]=4 50 B9R0.2 CCCCCNCC(C)C AIFCHEM-94563719037 [1,1,0,0,0,0|1,0,1]=4 51 B9R0.5 CCCC(C)NCCCO AIFCHEM-94606112170 [1,1,0,0,0,0|1,0,1]=4 52 B9R0.5 CCCCCN(C)CCO AIFCHEM-94551423596 [1,1,0,0,0,0|1,0,0]=3 53 B9R0.5 CCNCCC(=O)OCC AIFCHEM-94537421553 [1,1,0,0,0,0|2,0,0]=4 54 B9R0.18 CCCCC(=O)NCCC AIFCHEM-94534100132 [1,1,0,0,0,0|2,0,0]=4 55 B9R0.18 CCCCC(=O)NCCF AIFCHEM-94534108252 [1,1,0,0,0,0|2,0,0]=4 56 B9R0.18 CCNC[C@H](C)CCCO AIFCHEM-94537418110 [1,1,0,0,0,0|1,0,1]=4 57 B9R0.46 CC(CO)NCCCCO AIFCHEM-6488294961 [1,1,0,0,0,0|2,0,0]=4 58 B9R0.46 CCC(C)CNCCCO AIFCHEM-6421321424 [1,1,0,0,0,0|1,0,1]=4 59 B9R0.46 CCCCCNC(=O)CO AIFCHEM-94532685258 [1,1,0,0,0,0|1,0,0]=3 60 B9R0.46 CCCNCCC(C)CO AIFCHEM-94569018822 [1,1,0,0,0,0|1,0,1]=4 61 B9R0.46 CCOCCNC(=O)CO AIFCHEM-94548617327 [1,1,0,0,0,0|2,0,0]=4 62 B9R0.46 CSCCCNC(C)CO AIFCHEM-94546184803 [1,1,0,0,0,0|2,0,0]=4 63 B9R0.46 CSCCCN[C@@H](C)CO AIFCHEM-94546180799 [1,1,0,0,0,0|2,0,0]=4 64 B9R0.46 CSCCCN[C@H](C)CO AIFCHEM-94546181866 [1,1,0,0,0,0|2,0,0]=4 65 B11R0.2 CCOCCNC(=O)CC(C)O AIFCHEM-94548614036 [0,2,0,0,0,0|2,0,0]=4 66 B11R0.2 CCOCCNC(=O)C[C@@H](C)O AIFCHEM-94548616398 [0,2,0,0,0,0|2,0,0]=4 67 B11R0.2 CCOCCNC(=O)C[C@H](C)O AIFCHEM-94548616337 [0,2,0,0,0,0|2,0,0]=4 68 B11R0.2 COCCCNC(=O)CC(C)O AIFCHEM-5625946866 [0,2,0,0,0,0|2,0,0]=4 69 B11R0.2 COCCCNC(=O)C[C@@H](C)O AIFCHEM-94598899505 [0,2,0,0,0,0|2,0,0]=4 70 B11R0.2 COCCCNC(=O)C[C@H](C)O AIFCHEM-94598899444 [0,2,0,0,0,0|2,0,0]=4 71 B11R0.2 CSCCCNC(=O)CC(C)O AIFCHEM-94529061984 [0,2,0,0,0,0|2,0,0]=4 72 B11R0.2 CSCCCNC(=O)C[C@@H](C)O AIFCHEM-94529064346 [0,2,0,0,0,0|2,0,0]=4 73 B11R0.2 CSCCCNC(=O)C[C@H](C)O AIFCHEM-94529064285 [0,2,0,0,0,0|2,0,0]=4 74 B11R0.4 C#CCCCCNC(=O)CCO AIFCHEM-6123800047 [0,2,0,0,0,0|1,0,1]=4 75 B11R0.4 CCCC(C)NCCOCCO AIFCHEM-94606116910 [0,2,0,0,0,0|1,0,1]=4 76 B11R0.4 CCC[C@@H](C)NCCOCCO AIFCHEM-6081676846 [0,2,0,0,0,0|1,0,1]=4 77 B11R0.4 CCC[C@H](C)NCCOCCO AIFCHEM-5638291572 [0,2,0,0,0,0|1,0,1]=4 78 B11R0.4 CCOCCCNC(=O)CCO AIFCHEM-6254100354 [0,2,0,0,0,0|1,0,0]=3 79 B11R0.4 CCOCCCNC(C)CCO AIFCHEM-6273538517 [0,2,0,0,0,0|1,0,1]=4 80 B11R0.5 CCCNC(=O)CC(C)CCC AIFCHEM-5791159836 [0,2,0,0,0,0|2,0,0]=4 81 B11R0.81 CCCCC(C)NCCCCO AIFCHEM-94541393504 [0,2,0,0,0,0|0,0,2]=4 82 B11R0.81 CCCCN(C)CCCCCO AIFCHEM-94523035894 [0,2,0,0,0,0|0,0,2]=4 83 B11R0.81 CCCCNCC(=O)NCCF AIFCHEM-94523033385 [0,2,0,0,0,0|2,0,0]=4 84 B11R0.81 CCCCNC[C@H](C)CCCO AIFCHEM-94603287400 [0,2,0,0,0,0|0,0,2]=4 85 B11R0.81 CCCNC(=O)CCCCCO AIFCHEM-94521373241 [0,2,0,0,0,0|2,0,0]=4 86 B11R0.142 CCCCCNC(=O)C(O)CC AIFCHEM-94522663599 [0,2,0,0,0,0|2,0,0]=4 87 B11R0.142 CCCCCNC(=O)[C@@H](O)CC AIFCHEM-94522661721 [0,2,0,0,0,0|2,0,0]=4 88 B11R0.142 CCCCCNC(=O)[C@H](O)CC AIFCHEM-94522660043 [0,2,0,0,0,0|2,0,0]=4 89 B11R0.155 CCCCCN(C)C(C)CCO AIFCHEM-6087919745 [0,2,0,0,0,0|1,0,1]=4 90 B11R0.176 CC(C)OCCNC(=O)CCO AIFCHEM-6282628800 [0,2,0,0,0,0|2,0,0]=4 91 B11R0.40 OCCCCCNCC(O)CO AIFCHEM-6422224454 [0,2,0,0,0,0|1,0,1]=4 92 B11R0.40 OCCCCCNC[C@@H](O)CO AIFCHEM-6434328270 [0,2,0,0,0,0|1,0,1]=4 93 B11R0.40 OCCCCCNC[C@H](O)CO AIFCHEM-6467766943 [0,2,0,0,0,0|1,0,1]=4 94 B11R0.46 CCCCCC(=O)NCC(F)F AIFCHEM-94585556726 [0,2,0,0,0,0|2,0,0]=4 95 B11R0.46 CCCCCC(C)NCC(C)O AIFCHEM-94564413095 [0,2,0,0,0,0|1,0,1]=4 96 B11R0.46 CCCCCC(C)NC[C@@H](C)O AIFCHEM-94564407339 [0,2,0,0,0,0|1,0,1]=4 97 B11R0.46 CCCCCC(C)NC[C@H](C)O AIFCHEM-94564407340 [0,2,0,0,0,0|1,0,1]=4 98 B11R0.148 CC(C)CCNCCCCCO AIFCHEM-6093683701 [0,2,0,0,0,0|0,0,2]=4 99 B11R0.148 CCCCCCCNCC(C)O AIFCHEM-94558280483 [0,2,0,0,0,0|0,0,2]=4 100 B11R0.148 CCCCCCCNC[C@@H](C)O AIFCHEM-94589457128 [0,2,0,0,0,0|0,0,2]=4 101 B11R0.148 CCCCCCCNC[C@H](C)O AIFCHEM-94589457129 [0,2,0,0,0,0|0,0,2]=4 102 B11R0.3 CCCCCCCNCCCO AIFCHEM-94523160504 [0,2,0,0,0,0|0,0,2]=4 103 B11R0.3 CCCCCNCCOCCO AIFCHEM-94551431702 [0,2,0,0,0,0|0,0,2]=4 104 B11R0.3 CCNCCOCCOCCO AIFCHEM-94521654869 [0,2,0,0,0,0|1,0,1]=4 105 B11R0.3 CCOCCNCCOCCO AIFCHEM-94548604451 [0,2,0,0,0,0|1,0,1]=4 106 B11R0.3 CCSCCNCCCCCO AIFCHEM-6054541225 [0,2,0,0,0,0|0,0,2]=4 107 B11R0.3 CSCCCNCCOCCO AIFCHEM-94566170825 [0,2,0,0,0,0|1,0,1]=4 108 B11R0.140 CCCCCC(=O)NCCOC AIFCHEM-94585545776 [0,2,0,0,0,0|1,0,0]=3 109 B11R0.140 CCCCNC(=O)C#CCCO AIFCHEM-5725893744 [0,2,0,0,0,0|1,0,1]=4 110 B11R0.70 CCCCC(C)NC[C@@H](F)CO AIFCHEM-94541399473 [0,2,0,0,0,0|1,0,1]=4 111 B11R0.70 CCCCC(C)NC[C@H](F)CO AIFCHEM-94577440502 [0,2,0,0,0,0|1,0,1]=4 112 B11R0.124 CCCCCCNC(CC)CO AIFCHEM-94571765436 [0,2,0,0,0,0|1,0,1]=4 113 B11R0.124 CCCCCCNC(CO)CO AIFCHEM-94606753308 [0,2,0,0,0,0|1,0,1]=4 114 B11R0.154 CCCCCN(C)CC(O)CO AIFCHEM-6087874799 [0,2,0,0,0,0|1,0,1]=4 115 B11R0.154 CCCCCN(C)C[C@H](O)CO AIFCHEM-94590562187 [0,2,0,0,0,0|1,0,1]=4 116 B11R0.11 CCCCC(C)C(=O)NCCC AIFCHEM-5815291422 [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|1,0,0]=3 119 B9R1.14 CCC1CCCN1CC AIFCHEM-94537424244 [1,0,0,1,0,0|1,0,1]=4 120 B9R1.16 CCCNC[C@@H]1C[C@H]1C AIFCHEM-94599414203 [1,0,0,1,0,0|1,0,1]=4 121 B9R1.33 CCCN1CCCC1C AIFCHEM-94569019823 [1,0,0,1,0,0|1,0,1]=4 122 B9R1.33 CCCN1CCC[C@@H]1C AIFCHEM-94569013885 [1,0,0,1,0,0|1,0,1]=4 123 B9R1.33 CCCN1CCC[C@H]1C AIFCHEM-94548508901 [1,0,0,1,0,0|1,0,1]=4 124 B9R1.39 CCCN[C@@H]1CC[C@H]1O AIFCHEM-94569013357 [1,0,0,1,0,0|1,0,1]=4 125 B11R1.4 OCCCNCC1CCCC1 AIFCHEM-94523166139 [0,1,0,1,0,0|0,0,2]=4 126 B11R1.4 OCCCNCC1CCOC1 AIFCHEM-94523165831 [0,1,0,1,0,0|1,0,1]=4 127 B11R1.16 CN(CCO)C1CCCCC1 AIFCHEM-94548501713 [0,1,0,1,0,0|1,0,1]=4 128 B11R1.16 O=C(CCO)N1CCSCC1 AIFCHEM-94541234957 [0,1,0,1,0,0|2,0,0]=4 129 B11R1.288 CC(CCO)NC[C@@H]1C[C@H]1C AIFCHEM-94599418139 [0,1,0,1,0,0|1,0,1]=4 130 B11R1.290 CC(CCO)NCCC1CC1 AIFCHEM-5745920073 [0,1,0,1,0,0|1,0,1]=4 131 B11R1.99 OCCCCCNCC1CC1 AIFCHEM-5911111569 [0,1,0,1,0,0|0,0,2]=4 132 B11R1.99 OCCOCCNCC1CC1 AIFCHEM-94565551842 [0,1,0,1,0,0|1,0,1]=4 133 B11R1.172 CC(O)CNCC1CCCC1 AIFCHEM-6483474891 [0,1,0,1,0,0|1,0,1]=4 134 B11R1.172 C[C@@H](O)CNCC1CCCC1 AIFCHEM-6493272986 [0,1,0,1,0,0|1,0,1]=4 135 B11R1.172 C[C@H](O)CNCC1CCCC1 AIFCHEM-6492572424 [0,1,0,1,0,0|1,0,1]=4 136 B11R1.17 CC1COCCC1NCCO AIFCHEM-94577775660 [0,1,0,1,0,0|1,0,1]=4 137 B11R1.18 CCC1CCCC1NCCO AIFCHEM-94577779170 [0,1,0,1,0,0|0,0,2]=4 138 B11R1.28 OCCCNC1CCCCC1 AIFCHEM-94601787691 [0,1,0,1,0,0|0,0,2]=4 139 B11R1.47 OCCCCCNC1CCC1 AIFCHEM-94576051452 [0,1,0,1,0,0|0,0,2]=4 140 B11R1.190 CC1CCN1CCCCCO AIFCHEM-6087039815 [0,1,0,1,0,0|0,0,2]=4 141 B11R1.190 C[C@@H]1CCN1CCCCCO AIFCHEM-6230574580 [0,1,0,1,0,0|0,0,2]=4 142 B11R1.190 C[C@H]1CCN1CCCCCO AIFCHEM-5740921423 [0,1,0,1,0,0|0,0,2]=4 143 B11R1.236 OCC(O)CNCC1CCC1 AIFCHEM-6480518656 [0,1,0,1,0,0|1,0,1]=4 144 B11R1.236 OC[C@@H](O)CNCC1CCC1 AIFCHEM-6443338796 [0,1,0,1,0,0|1,0,1]=4 145 B11R1.236 OC[C@H](O)CNCC1CCC1 AIFCHEM-6464988414 [0,1,0,1,0,0|1,0,1]=4 146 B11R1.284 CN(CCCO)CC1CCC1 AIFCHEM-6400958621 [0,1,0,1,0,0|1,0,1]=4 147 B11R1.285 CCCNC(=O)CCC1CC1 AIFCHEM-5853717499 [0,1,0,1,0,0|2,0,0]=4 148 B11R1.299 CCCCNC(=O)C1CCO1 AIFCHEM-5736670804 [0,1,0,1,0,0|1,0,1]=4 149 B11R1.299 CCCCNC(=O)[C@@H]1CCO1 AIFCHEM-94570980174 [0,1,0,1,0,0|1,0,1]=4 150 B11R2.157 OCCNC1CC2CC2C1 AIFCHEM-94577776997 [0,0,0,2,0,0|1,0,1]=4 151 B11R2.157 OCCNC1C[C@@H]2C[C@@H]2C1 AIFCHEM-6470215687 [0,0,0,2,0,0|1,0,1]=4