0 B10R1.15 O=C(CO)N1CCCOC1 AIFCHEM-94532677753 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.6 CC(=O)N1CC=CCC1 AIFCHEM-94605348043 [1,0,0,0,0,0|1,0,2]=4 2 B9R1.8 CCNC1CCCCC1 AIFCHEM-94537419387 [1,0,0,0,0,0|2,0,0]=3 3 B11R1.12 CCN(CC)C1CCCCC1 AIFCHEM-94537422727 [0,1,0,0,0,0|3,0,0]=4 4 B11R1.16 CCCN(C)C1CCCCC1 AIFCHEM-94569008239 [0,1,0,0,0,0|3,0,0]=4 5 B11R1.16 CN(CCO)C1CCCCC1 AIFCHEM-94548501713 [0,1,0,0,0,0|3,0,0]=4 6 B11R1.16 O=C(CCO)N1CCSCC1 AIFCHEM-94541234957 [0,1,0,0,0,0|3,0,0]=4 7 B11R1.22 C#CC(=O)N1CCC(CC1)C AIFCHEM-94525200646 [0,1,0,0,0,0|2,0,1]=4 8 B11R1.22 CCC(=O)N1CCC(CC1)F AIFCHEM-94526508591 [0,1,0,0,0,0|2,0,0]=3 9 B11R1.23 CCC(=O)N1CCCC(=O)C1 AIFCHEM-94526505866 [0,1,0,0,0,0|2,0,1]=4 10 B11R1.36 CC(C)C(=O)N1CCCOC1 AIFCHEM-94545044086 [0,1,0,0,0,0|3,0,0]=4 11 B11R1.36 CC(C)C(=O)N1CCSCC1 AIFCHEM-94545042477 [0,1,0,0,0,0|3,0,0]=4 12 B9R0.12 C#CC(=O)N(CC)CCC AIFCHEM-96332647141 [0,0,1,0,0,0|2,0,1]=4 13 B9R0.12 CCC(=O)N(CC)CCF AIFCHEM-95157608241 [0,0,1,0,0,0|3,0,0]=4 14 B9R0.12 CCCN(CC)C(=O)CC AIFCHEM-95157574285 [0,0,1,0,0,0|2,0,0]=3 15 B9R0.12 CCCN(CC)C(=O)CO AIFCHEM-97888407121 [0,0,1,0,0,0|3,0,0]=4 16 B9R0.12 CCNC(CC)C(=O)OC AIFCHEM-94537425270 [0,0,1,0,0,0|1,0,0]=2 17 B9R0.12 CCN[C@@H](CC)C(=O)OC AIFCHEM-94537422943 [0,0,1,0,0,0|1,0,0]=2 18 B9R0.12 CCN[C@H](CC)C(=O)OC AIFCHEM-94537426061 [0,0,1,0,0,0|1,0,0]=2 19 B9R0.46 CCCCCNC(=O)CO AIFCHEM-94532685258 [0,0,1,0,0,0|3,0,0]=4 20 B9R0.46 CCCCNCC(C)OC AIFCHEM-94523040962 [0,0,1,0,0,0|2,0,1]=4 21 B9R0.46 CCCCNC[C@@H](C)OC AIFCHEM-94608836381 [0,0,1,0,0,0|2,0,1]=4 22 B9R0.46 CCCCNC[C@H](C)OC AIFCHEM-94523043222 [0,0,1,0,0,0|2,0,1]=4 23 B11R2.239 C1CCC(CC1)N2CCC2 AIFCHEM-94601793039 [0,0,0,1,0,0|3,0,0]=4 24 B11R1.40 O=C(CO)NC1CCCOC1 AIFCHEM-94532684792 [0,0,0,0,0,1|3,0,0]=4 25 B11R1.40 O=C(CO)N[C@@H]1CCCOC1 AIFCHEM-94532676794 [0,0,0,0,0,1|3,0,0]=4 26 B11R1.40 O=C(CO)N[C@H]1CCCOC1 AIFCHEM-6136630525 [0,0,0,0,0,1|3,0,0]=4 27 B8R0.15 CCCN(CC)C(=O)C AIFCHEM-99350620485 [1,0,1,0,0,0|1,0,0]=3 28 B8R0.15 CCN(CCF)C(=O)C AIFCHEM-94685342984 [1,0,1,0,0,0|2,0,0]=4 29 B8R0.7 COCCCNC(=O)C AIFCHEM-94535593052 [1,0,1,0,0,0|2,0,0]=4 30 B8R0.7 CSCCCNC(=O)C AIFCHEM-94535596324 [1,0,1,0,0,0|2,0,0]=4 31 B10R0.19 CCCNC(C)C(=O)OCC AIFCHEM-94569020664 [0,1,1,0,0,0|1,0,0]=3 32 B10R0.19 CCCN[C@@H](C)C(=O)NCC AIFCHEM-94569021810 [0,1,1,0,0,0|2,0,0]=4 33 B10R0.19 CCCN[C@@H](C)C(=O)OCC AIFCHEM-94569009310 [0,1,1,0,0,0|1,0,0]=3 34 B10R0.19 CCCN[C@H](C)C(=O)OCC AIFCHEM-94569020921 [0,1,1,0,0,0|1,0,0]=3 35 B10R0.57 CCC(=O)N(C)CCC(C)C AIFCHEM-94526505359 [0,1,1,0,0,0|2,0,0]=4 36 B10R0.57 COC(=O)C(C)CNC(=O)C AIFCHEM-94535600424 [0,1,1,0,0,0|1,0,1]=4 37 B10R0.83 CCCCCN(C)C(=O)CC AIFCHEM-94526505529 [0,1,1,0,0,0|2,0,0]=4 38 B10R0.83 CCCCNC(C)C(=O)NC AIFCHEM-94523037310 [0,1,1,0,0,0|1,0,0]=3 39 B10R0.83 CCCCN[C@@H](C)C(=O)NC AIFCHEM-94523039840 [0,1,1,0,0,0|1,0,0]=3 40 B10R0.83 CCCCN[C@H](C)C(=O)NC AIFCHEM-94523039844 [0,1,1,0,0,0|1,0,0]=3 41 B10R0.85 CCCNC(CO)C(=O)OC AIFCHEM-94569019985 [0,1,1,0,0,0|1,0,0]=3 42 B10R0.85 CCCN[C@@H](CO)C(=O)OC AIFCHEM-94569020065 [0,1,1,0,0,0|1,0,0]=3 43 B10R0.85 CCCN[C@H](CO)C(=O)OC AIFCHEM-94569020324 [0,1,1,0,0,0|1,0,0]=3 44 B10R0.124 CCNCC(C)(C)C(=O)OC AIFCHEM-94537416899 [0,1,1,0,0,0|1,0,0]=3 45 B10R0.25 CCCN(CC)C(=O)C(C)C AIFCHEM-99366273573 [0,1,1,0,0,0|2,0,0]=4 46 B10R0.30 CCNC(C(=O)OC)C(C)O AIFCHEM-94527074759 [0,1,1,0,0,0|1,0,0]=3 47 B10R0.30 CCN[C@@H](C(=O)OC)[C@@H](C)O AIFCHEM-94537423436 [0,1,1,0,0,0|1,0,0]=3 48 B10R0.30 CCN[C@@H](C(=O)OC)[C@H](C)O AIFCHEM-94537423435 [0,1,1,0,0,0|1,0,0]=3 49 B10R0.30 CCN[C@H](C(=O)NC)C(C)C AIFCHEM-94537425017 [0,1,1,0,0,0|2,0,0]=4 50 B10R0.30 CCN[C@H](C(=O)OC)[C@@H](C)O AIFCHEM-94570391688 [0,1,1,0,0,0|1,0,0]=3 51 B10R0.30 CCN[C@H](C(=O)OC)[C@H](C)O AIFCHEM-94537425535 [0,1,1,0,0,0|1,0,0]=3 52 B10R0.33 CC#CC(=O)N(CC)CCC AIFCHEM-97159787165 [0,1,1,0,0,0|2,0,0]=4 53 B10R0.33 CCCN(CC)C(=O)CCO AIFCHEM-100186400104 [0,1,1,0,0,0|2,0,0]=4 54 B10R0.33 CCCN(CC)C(=O)COC AIFCHEM-94954394947 [0,1,1,0,0,0|1,0,0]=3 55 B10R0.33 CCCN(CC)C(=O)CSC AIFCHEM-98578332300 [0,1,1,0,0,0|1,1,0]=4 56 B10R0.33 CCN(CCF)C(=O)COC AIFCHEM-94954459783 [0,1,1,0,0,0|2,0,0]=4 57 B10R0.33 CCNC(CO)C(=O)OCC AIFCHEM-94537421127 [0,1,1,0,0,0|2,0,0]=4 58 B10R0.33 CCN[C@@H](CO)C(=O)OCC AIFCHEM-94537419414 [0,1,1,0,0,0|2,0,0]=4 59 B10R0.33 CCN[C@H](CO)C(=O)OCC AIFCHEM-94537411702 [0,1,1,0,0,0|2,0,0]=4 60 B10R0.73 CCCN(CCC)C(=O)CC AIFCHEM-94536247609 [0,1,1,0,0,0|2,0,0]=4 61 B10R0.1 CCCCCNC(=O)CCO AIFCHEM-94522662823 [0,1,1,0,0,0|2,0,0]=4 62 B10R0.1 CCCCNCC(=O)NCC AIFCHEM-94523039937 [0,1,1,0,0,0|2,0,0]=4 63 B10R0.1 CCSCCNC(=O)COC AIFCHEM-6081902451 [0,1,1,0,0,0|2,0,0]=4 64 B10R0.18 CCCNC(C)CC(=O)OC AIFCHEM-94569011981 [0,1,1,0,0,0|1,0,0]=3 65 B10R0.18 CCCN[C@@H](C)CC(=O)OC AIFCHEM-94569012180 [0,1,1,0,0,0|1,0,0]=3 66 B10R0.18 CCCN[C@H](C)CC(=O)OC AIFCHEM-94569008681 [0,1,1,0,0,0|1,0,0]=3 67 B10R0.55 CCC(=O)NCCCC(C)C AIFCHEM-94526500064 [0,1,1,0,0,0|2,0,0]=4 68 B10R0.59 CCC(=O)NCCC(=O)OC AIFCHEM-94526506245 [0,1,1,0,0,0|1,0,1]=4 69 B10R0.74 COC(=O)CNCCCSC AIFCHEM-94546184206 [0,1,1,0,0,0|1,0,0]=3 70 B10R0.75 CCCCCNC(=O)C(C)O AIFCHEM-94571298865 [0,1,1,0,0,0|2,0,0]=4 71 B10R0.75 CCCCCNC(=O)[C@@H](C)O AIFCHEM-94522656682 [0,1,1,0,0,0|2,0,0]=4 72 B10R0.75 CCCCCNC(=O)[C@H](C)O AIFCHEM-94552832270 [0,1,1,0,0,0|2,0,0]=4 73 B10R0.108 CCN[C@@H](C)CCC(=O)OC AIFCHEM-94537416264 [0,1,1,0,0,0|1,0,0]=3 74 B10R0.108 COCC(C)NCC(=O)OC AIFCHEM-6212412316 [0,1,1,0,0,0|2,0,0]=4 75 B10R1.13 CC(=O)N1CCC(CC1)C AIFCHEM-94535598171 [1,1,0,0,0,0|1,0,0]=3 76 B10R1.61 CC(=O)N1CCCC[C@@H]1C AIFCHEM-5890381224 [1,1,0,0,0,0|1,0,0]=3 77 B10R1.61 CC(=O)N1CCCC[C@H]1C AIFCHEM-5769330335 [1,1,0,0,0,0|1,0,0]=3 78 B10R1.10 CCNC1CCCC(C1)C AIFCHEM-94537424394 [1,1,0,0,0,0|2,0,0]=4 79 B10R1.11 COCC(=O)N1CCSC1 AIFCHEM-5625227550 [0,1,0,0,1,0|2,0,0]=4 80 B10R1.14 CCC(=O)N1CCC(C1)F AIFCHEM-94526503398 [0,1,0,0,1,0|2,0,0]=4 81 B10R1.14 CCC(=O)N1CC[C@@H](C1)F AIFCHEM-94526501929 [0,1,0,0,1,0|2,0,0]=4 82 B10R1.14 CCC(=O)N1CC[C@H](C1)F AIFCHEM-94526501930 [0,1,0,0,1,0|2,0,0]=4 83 B12R1.32 CC#CC(=O)NC1CCSCC1 AIFCHEM-5639702949 [0,1,0,0,0,1|2,0,0]=4 84 B12R1.32 COCC(=O)NC1CCCOC1 AIFCHEM-5874422585 [0,1,0,0,0,1|1,0,0]=3 85 B12R1.32 COCC(=O)NC1CCSCC1 AIFCHEM-94574193018 [0,1,0,0,0,1|1,0,0]=3 86 B12R1.32 COCC(=O)N[C@@H]1CCCOC1 AIFCHEM-94588278087 [0,1,0,0,0,1|1,0,0]=3 87 B12R1.34 CCC(=O)N(C)C1CCCCC1 AIFCHEM-94526498824 [0,1,0,0,0,1|1,0,0]=3 88 B12R1.34 CCC(=O)N(C)C1CCOCC1 AIFCHEM-94558627842 [0,1,0,0,0,1|2,0,0]=4 89 B12R1.43 CC(O)C(=O)NC1CCCCC1 AIFCHEM-94560385013 [0,1,0,0,0,1|1,0,0]=3 90 B12R1.43 C[C@@H](O)C(=O)NC1CCCCC1 AIFCHEM-5905762940 [0,1,0,0,0,1|1,0,0]=3 91 B12R1.43 C[C@H](O)C(=O)NC1CCCCC1 AIFCHEM-5907708693 [0,1,0,0,0,1|1,0,0]=3 92 B12R1.49 C#CC(=O)NC1CCC(CC1)C AIFCHEM-94564659908 [0,1,0,0,0,1|1,0,1]=4 93 B12R1.49 C#CC(=O)N[C@H]1CC[C@@H](CC1)C AIFCHEM-94525197054 [0,1,0,0,0,1|1,0,1]=4 94 B12R1.49 C#CC(=O)N[C@H]1CC[C@H](CC1)C AIFCHEM-94525197955 [0,1,0,0,0,1|1,0,1]=4 95 B12R1.49 CCC(=O)NC1CCC(=O)CC1 AIFCHEM-94526509586 [0,1,0,0,0,1|1,0,1]=4 96 B12R1.50 CCC(=O)NC1CCCC(C1)C AIFCHEM-94526509652 [0,1,0,0,0,1|1,0,0]=3 97 B12R1.371 C#CC(=O)NC1CCCCC1C AIFCHEM-94525201363 [0,1,0,0,0,1|1,0,1]=4 98 B12R1.371 C#CC(=O)N[C@@H]1CCCC[C@@H]1C AIFCHEM-94525202083 [0,1,0,0,0,1|1,0,1]=4 99 B12R1.371 C#CC(=O)N[C@@H]1CCCC[C@H]1C AIFCHEM-94525198590 [0,1,0,0,0,1|1,0,1]=4 100 B12R1.371 C#CC(=O)N[C@@H]1CCCC[C@H]1F AIFCHEM-94525201760 [0,1,0,0,0,1|1,0,1]=4 101 B12R1.371 C#CC(=O)N[C@H]1CCCC[C@H]1C AIFCHEM-94525202082 [0,1,0,0,0,1|1,0,1]=4 102 B12R1.371 CCC(=O)N[C@@H]1CCCC[C@H]1F AIFCHEM-94526510207 [0,1,0,0,0,1|1,0,0]=3 103 B12R1.1564 CSCC(=O)N1CCCOCC1 AIFCHEM-94553872317 [0,1,0,0,0,1|1,1,0]=4 104 B12R1.2197 CC(O)C(=O)N1CCCOCC1 AIFCHEM-94571307689 [0,1,0,0,0,1|2,0,0]=4 105 B12R1.2197 C[C@@H](O)C(=O)N1CCCOCC1 AIFCHEM-94553868149 [0,1,0,0,0,1|2,0,0]=4 106 B12R1.2197 C[C@H](O)C(=O)N1CCCOCC1 AIFCHEM-94553876173 [0,1,0,0,0,1|2,0,0]=4 107 B12R1.16 CC#CC(=O)N1CCC(CC1)C AIFCHEM-94595739690 [0,2,0,0,0,0|2,0,0]=4 108 B12R1.16 CC#CC(=O)N1CCC(CC1)F AIFCHEM-5627827313 [0,2,0,0,0,0|2,0,0]=4 109 B12R1.17 CC1CCCN(C1)C(=O)CCO AIFCHEM-94534158742 [0,2,0,0,0,0|2,0,0]=4 110 B12R1.17 C[C@H]1CCCN(C1)C(=O)CCO AIFCHEM-94598406823 [0,2,0,0,0,0|2,0,0]=4 111 B12R1.30 C#CCNC(=O)C1CCSCC1 AIFCHEM-6236859388 [0,2,0,0,0,0|2,0,0]=4 112 B12R1.30 CCNCC(=O)N1CCCCC1 AIFCHEM-94537422694 [0,2,0,0,0,0|2,0,0]=4 113 B12R1.30 COCCC(=O)N1CCCOC1 AIFCHEM-5766108636 [0,2,0,0,0,0|2,0,0]=4 114 B12R1.107 CC(C)NC(=O)C1CCCCC1 AIFCHEM-94520552474 [0,2,0,0,0,0|1,0,0]=3 115 B12R1.107 CC(C)NC(=O)C1CCCCO1 AIFCHEM-94520549463 [0,2,0,0,0,0|2,0,0]=4 116 B12R1.308 CC#CC(=O)N1CCCC[C@@H]1C AIFCHEM-5890090581 [0,2,0,0,0,0|2,0,0]=4 117 B12R1.308 CC#CC(=O)N1CCCC[C@H]1C AIFCHEM-5721843155 [0,2,0,0,0,0|2,0,0]=4 118 B12R1.308 COCC(=O)N1CCCC[C@@H]1C AIFCHEM-5970672272 [0,2,0,0,0,0|1,0,0]=3 119 B12R1.308 COCC(=O)N1CCCC[C@H]1C AIFCHEM-5743637479 [0,2,0,0,0,0|1,0,0]=3 120 B12R1.308 C[C@H]1CCCCN1C(=O)CCO AIFCHEM-94588094631 [0,2,0,0,0,0|2,0,0]=4 121 B12R1.5 CCC(=O)N1CCC(CC1)SC AIFCHEM-94526504592 [0,2,0,0,0,0|2,0,0]=4 122 B12R1.5 CCN1CCC(CC1)C(=O)NC AIFCHEM-94537417458 [0,2,0,0,0,0|2,0,0]=4 123 B12R1.5 CCN1CCC(CC1)C(=O)OC AIFCHEM-94537419872 [0,2,0,0,0,0|1,0,0]=3 124 B12R1.20 CC1CCN(CC1)C(=O)C(C)C AIFCHEM-94595740858 [0,2,0,0,0,0|2,0,0]=4 125 B12R1.20 CC1CCN(CC1)C(=O)C(C)O AIFCHEM-94540233728 [0,2,0,0,0,0|2,0,0]=4 126 B12R1.20 CC1CCN(CC1)C(=O)[C@@H](C)O AIFCHEM-94595732835 [0,2,0,0,0,0|2,0,0]=4 127 B12R1.20 CC1CCN(CC1)C(=O)[C@H](C)O AIFCHEM-94595740859 [0,2,0,0,0,0|2,0,0]=4 128 B12R1.225 CC(C)C(=O)N1CCCC(C1)F AIFCHEM-94545052180 [0,2,0,0,0,0|2,0,0]=4 129 B12R1.225 CC(C)C(=O)N1CCC[C@@H](C1)C AIFCHEM-94598408705 [0,2,0,0,0,0|2,0,0]=4 130 B12R1.225 CC(C)C(=O)N1CCC[C@H](C1)C AIFCHEM-94545046611 [0,2,0,0,0,0|2,0,0]=4 131 B12R1.225 CC1CCCN(C1)C(=O)C(C)C AIFCHEM-94534160624 [0,2,0,0,0,0|2,0,0]=4 132 B12R1.358 CCC(=O)N1CC(CC(C1)C)C AIFCHEM-94526506673 [0,2,0,0,0,0|2,0,0]=4 133 B12R1.358 CCC(=O)N1C[C@@H](C[C@@H](C1)C)C AIFCHEM-94526502496 [0,2,0,0,0,0|2,0,0]=4 134 B12R1.435 CCC(=O)N1CCCC(C1)C#N AIFCHEM-94526500483 [0,2,0,0,0,0|2,0,0]=4 135 B12R1.435 CCC(=O)N1CCC[C@H](C1)C#N AIFCHEM-94561991988 [0,2,0,0,0,0|2,0,0]=4 136 B12R1.1707 CCC(=O)N1CCCC(C1)(F)F AIFCHEM-94526506736 [0,2,0,0,0,0|2,0,0]=4 137 B12R1.3441 CCC(=O)N1C(CCCC1C)C AIFCHEM-94544340654 [0,2,0,0,0,0|2,0,0]=4 138 B12R1.3441 CCC(=O)N1[C@@H](CCC[C@@H]1C)C AIFCHEM-94526506272 [0,2,0,0,0,0|2,0,0]=4 139 B10R1.29 CCCNC1CCNC1=O AIFCHEM-94569009858 [0,0,1,1,0,0|2,0,0]=4 140 B10R1.29 CCCN[C@@H]1CCNC1=O AIFCHEM-94577677174 [0,0,1,1,0,0|2,0,0]=4 141 B10R1.29 CCCN[C@H]1CCNC1=O AIFCHEM-94569020011 [0,0,1,1,0,0|2,0,0]=4 142 B10R1.169 CCN1CC(C1)C(=O)NC AIFCHEM-94537426151 [0,0,1,1,0,0|2,0,0]=4 143 B10R1.182 CCC(=O)N(C)C1CCC1 AIFCHEM-94526510844 [0,0,1,1,0,0|2,0,0]=4 144 B10R1.391 CCNC1(CC1)C(=O)NC AIFCHEM-94537411499 [0,0,1,1,0,0|2,0,0]=4 145 B10R1.27 CCC(=O)NC1CCCC1 AIFCHEM-94542387709 [0,0,1,1,0,0|2,0,0]=4 146 B10R2.161 CCN1C2CCC1CC2 AIFCHEM-94537419582 [1,0,0,1,0,0|2,0,0]=4 147 B12R2.1488 CC#CC(=O)N1CC2CC2C1 AIFCHEM-94584692888 [0,1,0,1,0,0|2,0,0]=4 148 B12R2.1488 O=C(CCO)N1CC2CC2C1 AIFCHEM-94584692174 [0,1,0,1,0,0|2,0,0]=4 149 B12R2.4309 CC(O)C(=O)N1CC2CC2C1 AIFCHEM-94584692303 [0,1,0,1,0,0|2,0,0]=4 150 B12R2.4309 C[C@@H](O)C(=O)N1CC2CC2C1 AIFCHEM-94584686033 [0,1,0,1,0,0|2,0,0]=4 151 B12R2.4309 C[C@H](O)C(=O)N1CC2CC2C1 AIFCHEM-94584694057 [0,1,0,1,0,0|2,0,0]=4 152 B8R1.7 CC(=O)N1CCSC1 AIFCHEM-5599280756 [1,0,0,0,1,0|2,0,0]=4 153 B10R1.348 CC(=O)N1CCCOCC1 AIFCHEM-94553873278 [1,0,0,0,0,1|1,0,0]=3 154 B12R1.27 CCC(=O)NCC1CCCCO1 AIFCHEM-94560329363 [0,0,0,0,0,2|2,0,0]=4 155 B12R1.27 CNC(=O)CNC1CCCOC1 AIFCHEM-94562542416 [0,0,0,0,0,2|2,0,0]=4 156 B12R1.27 CNC(=O)CNC1CCCSC1 AIFCHEM-94562541923 [0,0,0,0,0,2|2,0,0]=4 157 B12R1.27 COC(=O)CNC1CCCCC1 AIFCHEM-94601795234 [0,0,0,0,0,2|0,0,0]=2