0 B10R1.10 CCCN1CCCC(C1)F AIFCHEM-94569022032 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.10 CCCN1CCCC(C1)O AIFCHEM-94569021033 [0,0,0,0,0,0|2,0,2]=4 2 B10R1.10 CCCN1CCC[C@H](C1)O AIFCHEM-94531241660 [0,0,0,0,0,0|2,0,2]=4 3 B10R1.10 CCNC1CCCC(C1)C AIFCHEM-94537424394 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.8 CCNC1CCCCC1 AIFCHEM-94537419387 [1,0,0,0,0,0|2,0,1]=4 5 B11R1.13 CCCN1CCNC(=O)C1C AIFCHEM-94569016072 [0,1,0,0,0,0|3,0,0]=4 6 B11R1.13 CCCN1CCNC(=O)[C@@H]1C AIFCHEM-94569022530 [0,1,0,0,0,0|3,0,0]=4 7 B11R1.13 CCCN1CCNC(=O)[C@H]1C AIFCHEM-94569024217 [0,1,0,0,0,0|3,0,0]=4 8 B11R1.23 CCC(=O)N1CCCC(=O)C1 AIFCHEM-94526505866 [0,1,0,0,0,0|2,0,1]=4 9 B11R1.24 CCCNC1CCNC(=O)C1 AIFCHEM-94569013012 [0,1,0,0,0,0|2,0,0]=3 10 B11R1.24 CCNCC1CCCN(C1)C AIFCHEM-94537415635 [0,1,0,0,0,0|3,0,0]=4 11 B9R0.2 CCCNCCCC(=O)O AIFCHEM-94569019960 [0,0,1,0,0,0|1,0,0]=2 12 B9R0.2 CCCNCCNC(=O)N AIFCHEM-94569014729 [0,0,1,0,0,0|3,0,0]=4 13 B9R0.2 CCCNCCOC(=O)C AIFCHEM-94569015165 [0,0,1,0,0,0|3,0,0]=4 14 B9R0.2 CCNCCCNC(=O)C AIFCHEM-94537421360 [0,0,1,0,0,0|3,0,0]=4 15 B9R0.2 CCNCCOCC(=O)O AIFCHEM-94537411644 [0,0,1,0,0,0|2,0,0]=3 16 B9R0.2 CCNCCSCC(=O)O AIFCHEM-94535042891 [0,0,1,0,0,0|2,0,0]=3 17 B9R0.2 CCOCCCNC(=O)C AIFCHEM-94535598214 [0,0,1,0,0,0|3,0,0]=4 18 B9R0.5 CCNCCC(=O)OCC AIFCHEM-94537421553 [0,0,1,0,0,0|3,0,0]=4 19 B9R0.5 CSCCNC(=O)CSC AIFCHEM-94598929502 [0,0,1,0,0,0|3,0,0]=4 20 B9R0.14 CCCN(CC)CC(=O)O AIFCHEM-94537424498 [0,0,1,0,0,0|3,0,0]=4 21 B9R0.14 CCNC(CC)CC(=O)O AIFCHEM-94537417368 [0,0,1,0,0,0|3,0,0]=4 22 B9R0.14 CCN[C@@H](CC)CC(=O)O AIFCHEM-94537417981 [0,0,1,0,0,0|3,0,0]=4 23 B9R0.34 C#CC(=O)NC(C)CCC AIFCHEM-94560482458 [0,0,1,0,0,0|1,0,2]=4 24 B9R0.34 C#CC(=O)N[C@@H](C)CCC AIFCHEM-94525196407 [0,0,1,0,0,0|1,0,2]=4 25 B9R0.34 C#CC(=O)N[C@H](C)CCC AIFCHEM-94525190584 [0,0,1,0,0,0|1,0,2]=4 26 B9R0.34 CCCC(C)NC(=O)CC AIFCHEM-94560484547 [0,0,1,0,0,0|1,0,0]=2 27 B9R0.34 CCCC(C)NC(=O)CO AIFCHEM-94560484548 [0,0,1,0,0,0|2,0,0]=3 28 B9R0.34 CCC[C@@H](C)NC(=O)CC AIFCHEM-94526499031 [0,0,1,0,0,0|1,0,0]=2 29 B9R0.34 CCC[C@@H](C)NC(=O)CO AIFCHEM-94532674236 [0,0,1,0,0,0|2,0,0]=3 30 B9R0.34 CCC[C@H](C)NC(=O)CC AIFCHEM-94526504854 [0,0,1,0,0,0|1,0,0]=2 31 B9R0.34 CCC[C@H](C)NC(=O)CO AIFCHEM-94532680059 [0,0,1,0,0,0|2,0,0]=3 32 B9R0.34 COCC(C)NC(=O)CO AIFCHEM-94532682027 [0,0,1,0,0,0|3,0,0]=4 33 B9R0.34 COC[C@@H](C)NC(=O)CO AIFCHEM-94601273051 [0,0,1,0,0,0|3,0,0]=4 34 B9R0.34 COC[C@H](C)NC(=O)CO AIFCHEM-94572810236 [0,0,1,0,0,0|3,0,0]=4 35 B9R1.33 CCCN1CCCC1C AIFCHEM-94569019823 [0,0,0,0,1,0|2,0,1]=4 36 B9R1.33 CCCN1CCC[C@@H]1C AIFCHEM-94569013885 [0,0,0,0,1,0|2,0,1]=4 37 B9R1.33 CCCN1CCC[C@H]1C AIFCHEM-94548508901 [0,0,0,0,1,0|2,0,1]=4 38 B11R1.135 CCCN1CCNC(=O)CC1 AIFCHEM-94569015196 [0,0,0,0,0,1|3,0,0]=4 39 B8R0.1 CCCCN(C)CCC AIFCHEM-94523040043 [1,0,1,0,0,0|2,0,0]=4 40 B8R0.1 CCCNC(=O)COC AIFCHEM-5791287162 [1,0,1,0,0,0|2,0,0]=4 41 B8R0.6 CCC(=O)NCCOC AIFCHEM-94526499594 [1,0,1,0,0,0|2,0,0]=4 42 B8R0.5 COCC(C)NC(=O)C AIFCHEM-6033665979 [1,0,1,0,0,0|2,0,0]=4 43 B8R0.5 COC[C@@H](C)NC(=O)C AIFCHEM-94601268934 [1,0,1,0,0,0|2,0,0]=4 44 B8R0.5 COC[C@H](C)NC(=O)C AIFCHEM-5679939052 [1,0,1,0,0,0|2,0,0]=4 45 B10R0.3 CCCN(C)CCCC(=O)O AIFCHEM-94569009330 [0,1,1,0,0,0|1,0,0]=3 46 B10R0.4 CCCCCNCCC(C)O AIFCHEM-94551432719 [0,1,1,0,0,0|1,0,1]=4 47 B10R0.4 CCCCCNCC[C@H](C)O AIFCHEM-94544710523 [0,1,1,0,0,0|1,0,1]=4 48 B10R0.4 CCCCNCCNC(=O)C AIFCHEM-94523027506 [0,1,1,0,0,0|2,0,0]=4 49 B10R0.4 CCCCNCCNC(=O)N AIFCHEM-94523033959 [0,1,1,0,0,0|2,0,0]=4 50 B10R0.4 CCCCNCCOC(=O)C AIFCHEM-94523034395 [0,1,1,0,0,0|2,0,0]=4 51 B10R0.4 O=C(O)CNCCCCCO AIFCHEM-5913012506 [0,1,1,0,0,0|1,0,0]=3 52 B10R0.6 CCCCNC(C)CC(=O)O AIFCHEM-94523036017 [0,1,1,0,0,0|1,0,0]=3 53 B10R0.6 CCCCN[C@H](C)CC(=O)O AIFCHEM-94523039538 [0,1,1,0,0,0|1,0,0]=3 54 B10R0.74 COC(=O)CNCCCSC AIFCHEM-94546184206 [0,1,1,0,0,0|2,0,0]=4 55 B10R0.75 CCCCCCN(C)C(=O)C AIFCHEM-94535595676 [0,1,1,0,0,0|2,0,0]=4 56 B10R0.75 CCCCCN[C@@H](C)C(=O)N AIFCHEM-94530163499 [0,1,1,0,0,0|2,0,0]=4 57 B10R0.75 CCCCCN[C@H](C)C(=O)N AIFCHEM-94551436255 [0,1,1,0,0,0|2,0,0]=4 58 B10R0.78 CCCNC(C)CCC(=O)O AIFCHEM-94569012120 [0,1,1,0,0,0|1,0,0]=3 59 B10R0.78 CSCCC(C)NCC(=O)O AIFCHEM-5979077608 [0,1,1,0,0,0|2,0,0]=4 60 B10R0.1 CCCCCNC(=O)CCO AIFCHEM-94522662823 [0,1,1,0,0,0|2,0,0]=4 61 B10R0.1 CCCCNCC(=O)NCC AIFCHEM-94523039937 [0,1,1,0,0,0|2,0,0]=4 62 B10R0.1 CCSCCNC(=O)COC AIFCHEM-6081902451 [0,1,1,0,0,0|2,0,0]=4 63 B10R0.1 COCCCNC(=O)CCO AIFCHEM-5663800686 [0,1,1,0,0,0|2,0,0]=4 64 B10R0.2 CCCC(C)NC(=O)CSC AIFCHEM-94560480694 [0,1,1,0,0,0|2,0,0]=4 65 B10R0.2 CCC[C@@H](C)NC(=O)CSC AIFCHEM-6086409625 [0,1,1,0,0,0|2,0,0]=4 66 B10R0.2 CCC[C@H](C)NC(=O)CSC AIFCHEM-5590498300 [0,1,1,0,0,0|2,0,0]=4 67 B10R0.83 CCCCNC(=O)C(O)CO AIFCHEM-5752192535 [0,1,1,0,0,0|2,0,0]=4 68 B10R0.91 CCCCC(=O)NCCOC AIFCHEM-94534100236 [0,1,1,0,0,0|2,0,0]=4 69 B10R0.91 CCCCC(=O)NCCSC AIFCHEM-94534104594 [0,1,1,0,0,0|2,0,0]=4 70 B10R0.91 CCCCNC(=O)CCSC AIFCHEM-5695482106 [0,1,1,0,0,0|1,0,0]=3 71 B10R0.108 CCC(F)CNC(=O)COC AIFCHEM-5870225166 [0,1,1,0,0,0|2,0,0]=4 72 B10R0.18 CCCNC(C)CC(=O)OC AIFCHEM-94569011981 [0,1,1,0,0,0|2,0,0]=4 73 B10R0.18 CCCN[C@@H](C)CC(=O)OC AIFCHEM-94569012180 [0,1,1,0,0,0|2,0,0]=4 74 B10R0.18 CCCN[C@H](C)CC(=O)OC AIFCHEM-94569008681 [0,1,1,0,0,0|2,0,0]=4 75 B10R0.148 CCC(=O)NC(C)(C)CSC AIFCHEM-94526506761 [0,1,1,0,0,0|2,0,0]=4 76 B10R1.17 CCNCC1COCCO1 AIFCHEM-94537412836 [1,1,0,0,0,0|1,0,1]=4 77 B10R1.17 CCNC[C@@H]1COCCO1 AIFCHEM-94537415915 [1,1,0,0,0,0|1,0,1]=4 78 B10R1.17 CCNC[C@H]1COCCO1 AIFCHEM-94537415916 [1,1,0,0,0,0|1,0,1]=4 79 B10R1.29 CCCNC1CCCC1O AIFCHEM-94581021104 [0,1,0,0,1,0|0,0,2]=4 80 B10R1.29 CCCNC1CCNC1=O AIFCHEM-94569009858 [0,1,0,0,1,0|1,0,0]=3 81 B10R1.29 CCCN[C@@H]1CCC[C@@H]1O AIFCHEM-94584443780 [0,1,0,0,1,0|0,0,2]=4 82 B10R1.29 CCCN[C@@H]1CCC[C@H]1O AIFCHEM-94569017210 [0,1,0,0,1,0|0,0,2]=4 83 B10R1.29 CCCN[C@@H]1CCNC1=O AIFCHEM-94577677174 [0,1,0,0,1,0|1,0,0]=3 84 B10R1.29 CCCN[C@H]1CCC[C@@H]1O AIFCHEM-94569021468 [0,1,0,0,1,0|0,0,2]=4 85 B10R1.29 CCCN[C@H]1CCC[C@H]1O AIFCHEM-94557833107 [0,1,0,0,1,0|0,0,2]=4 86 B10R1.29 CCCN[C@H]1CCNC1=O AIFCHEM-94569020011 [0,1,0,0,1,0|1,0,0]=3 87 B10R1.29 CCNCC1CCCN1C AIFCHEM-94537419364 [0,1,0,0,1,0|2,0,0]=4 88 B10R1.29 CCNC[C@@H]1CCCN1C AIFCHEM-94537418524 [0,1,0,0,1,0|2,0,0]=4 89 B10R1.29 CCNC[C@H]1CCCN1C AIFCHEM-94537424203 [0,1,0,0,1,0|2,0,0]=4 90 B12R1.874 CC(C)CN1CCCNC(=O)C1 AIFCHEM-94572987126 [0,1,0,0,0,1|2,0,0]=4 91 B12R1.28 O=C1CC(CCN1)NCCCO AIFCHEM-6439483137 [0,2,0,0,0,0|2,0,0]=4 92 B10R1.39 CCC1CCCN1C(=O)C AIFCHEM-5851100903 [0,0,1,1,0,0|2,0,0]=4 93 B10R1.61 CC(=O)N1CCCC[C@@H]1C AIFCHEM-5890381224 [0,0,1,1,0,0|2,0,0]=4 94 B10R1.61 CC(=O)N1CCCC[C@H]1C AIFCHEM-5769330335 [0,0,1,1,0,0|2,0,0]=4 95 B10R1.127 O=C(O)CCNC1CCC1 AIFCHEM-94576044203 [0,0,1,1,0,0|1,0,0]=3 96 B10R1.139 COCC(=O)N1CC[C@@H]1C AIFCHEM-5744895297 [0,0,1,1,0,0|2,0,0]=4 97 B10R1.139 COCC(=O)N1CC[C@H]1C AIFCHEM-6231289902 [0,0,1,1,0,0|2,0,0]=4 98 B10R1.27 CCC(=O)NC1CCCC1 AIFCHEM-94542387709 [0,0,1,1,0,0|1,0,0]=3 99 B10R1.150 CC1CC(C1)NC(=O)CO AIFCHEM-94532686731 [0,0,1,1,0,0|2,0,0]=4 100 B10R1.150 CCC(=O)NC1CC(C1)C AIFCHEM-94526511526 [0,0,1,1,0,0|1,0,0]=3 101 B10R1.150 CCC(=O)NC1CC(C1)F AIFCHEM-94526501421 [0,0,1,1,0,0|2,0,0]=4 102 B10R1.150 CCC(=O)N[C@H]1C[C@@H](C1)F AIFCHEM-94526502226 [0,0,1,1,0,0|2,0,0]=4 103 B10R1.150 CCC(=O)N[C@H]1C[C@H](C1)F AIFCHEM-94526502225 [0,0,1,1,0,0|2,0,0]=4 104 B10R1.429 CCC(=O)NC1(COC1)C AIFCHEM-94526501904 [0,0,1,1,0,0|2,0,0]=4 105 B8R0.15 CCCN(CC)C(=O)C AIFCHEM-99350620485 [0,0,1,0,1,0|1,0,0]=3 106 B8R0.15 CCN(CCF)C(=O)C AIFCHEM-94685342984 [0,0,1,0,1,0|2,0,0]=4