0 B12R0.234 CCCCCNCCCCC(=O)N AIFCHEM-94551439220 [0,0,0,0,0,0|2,0,2]=4 1 B12R0.234 CCCCNCCCCOC(=O)C AIFCHEM-5751697092 [0,0,0,0,0,0|3,0,1]=4 2 B12R0.234 CCNCCCCCCCC(=O)O AIFCHEM-94537411212 [0,0,0,0,0,0|1,0,2]=3 3 B12R0.234 CSCCCNCCCCC(=O)O AIFCHEM-94585280802 [0,0,0,0,0,0|2,0,2]=4 4 B12R0.234 CSCCCNCCSCC(=O)O AIFCHEM-94535040619 [0,0,0,0,0,0|3,0,1]=4 5 B11R0.148 CCCCCNCCCC(=O)N AIFCHEM-94551425838 [1,0,0,0,0,0|2,0,1]=4 6 B11R0.148 CCNCCCCCCC(=O)O AIFCHEM-94537427208 [1,0,0,0,0,0|1,0,1]=3 7 B11R0.148 CCNCCCCCNC(=O)C AIFCHEM-94537420207 [1,0,0,0,0,0|3,0,0]=4 8 B13R0.54 CCCCCCCCCCNC(=O)C AIFCHEM-5668725669 [0,1,0,0,0,0|1,0,2]=4 9 B13R0.54 CCCCCCCCNCCC(=O)O AIFCHEM-5851067362 [0,1,0,0,0,0|0,0,2]=3 10 B13R0.54 CCCCCNCCCCCC(=O)O AIFCHEM-94551433158 [0,1,0,0,0,0|0,0,2]=3 11 B13R0.54 CCCCCNCCCCNC(=O)C AIFCHEM-94551434528 [0,1,0,0,0,0|2,0,1]=4 12 B13R0.54 CCCCNCCCCCCC(=O)O AIFCHEM-94523043521 [0,1,0,0,0,0|0,0,2]=3 13 B13R0.54 CCCNCCCCCCNC(=O)O AIFCHEM-94569012518 [0,1,0,0,0,0|1,0,1]=3 14 B13R0.54 O=C(O)CCCCCCCNCCF AIFCHEM-5853572975 [0,1,0,0,0,0|1,0,2]=4 15 B13R0.119 CCCNC(C)CCCCCC(=O)O AIFCHEM-94521367040 [0,1,0,0,0,0|1,0,2]=4 16 B13R0.147 CCCCCCCCCNC(=O)CC AIFCHEM-94526499741 [0,1,0,0,0,0|2,0,1]=4 17 B13R0.147 CCCCCCNCCCC(=O)OC AIFCHEM-94592445419 [0,1,0,0,0,0|1,0,2]=4 18 B13R0.147 CCCCNCCCCCC(=O)OC AIFCHEM-94523033844 [0,1,0,0,0,0|1,0,2]=4 19 B13R0.150 CCCCCCCCN[C@@H](C)C(=O)N AIFCHEM-5734530103 [0,1,0,0,0,0|2,0,1]=4 20 B13R0.150 CCCCCCCCN[C@H](C)C(=O)N AIFCHEM-94551549918 [0,1,0,0,0,0|2,0,1]=4 21 B13R0.154 CCCCCCCC(C)NCC(=O)O AIFCHEM-5912861226 [0,1,0,0,0,0|1,0,1]=3 22 B13R1.27 CCCCCNCc1ccc(o1)Br AIFCHEM-94522651987 [0,0,0,1,0,0|2,0,1]=4 23 B13R1.27 CCCCCNCc1ccc(o1)Cl AIFCHEM-94522652300 [0,0,0,1,0,0|2,0,1]=4 24 B13R1.27 CCCCCNCc1ccc(o1)I AIFCHEM-94552820311 [0,0,0,1,0,0|2,0,1]=4 25 B13R1.224 CCCN1CCCCCC1C(=O)O AIFCHEM-94569019470 [0,0,0,1,0,0|1,0,2]=4 26 B13R1.337 O=C(O)CNCCC1CCOCC1 AIFCHEM-5889224170 [0,0,0,1,0,0|2,0,1]=4 27 B13R1.343 O=C(O)COCCNC1CCCC1 AIFCHEM-94541531363 [0,0,0,1,0,0|2,0,1]=4 28 B13R1.343 O=C(O)CSCCNC1CCCC1 AIFCHEM-94535038003 [0,0,0,1,0,0|2,0,1]=4 29 B13R1.380 CCCN1CCCCC1CC(=O)O AIFCHEM-94569014773 [0,0,0,1,0,0|1,0,2]=4 30 B13R1.392 CCCN1CCCC1CCC(=O)O AIFCHEM-94600406476 [0,0,0,1,0,0|1,0,2]=4 31 B13R1.670 CCCCCN1CCCC1C(=O)O AIFCHEM-94551435008 [0,0,0,1,0,0|1,0,2]=4 32 B13R1.670 CCCCCN1CCC[C@@H]1C(=O)O AIFCHEM-94551432018 [0,0,0,1,0,0|1,0,2]=4 33 B13R1.670 CCCCCN1CCC[C@H]1C(=O)O AIFCHEM-94551427202 [0,0,0,1,0,0|1,0,2]=4 34 B10R0.4 O=C(O)CNCCCCCO AIFCHEM-5913012506 [2,0,0,0,0,0|2,0,0]=4 35 B12R0.5 CCCCCCCCNCOC=O AIFCHEM-94595103866 [1,1,0,0,0,0|1,0,1]=4 36 B14R0.2 CCCCCCCN(C)CCCC(=O)O AIFCHEM-94596082986 [0,2,0,0,0,0|0,0,2]=4 37 B14R0.2 CCCCCCNC(C)CCCC(=O)O AIFCHEM-94571764449 [0,2,0,0,0,0|0,0,2]=4 38 B14R0.68 CC(C)CNCCCCCCNC(=O)O AIFCHEM-94572974772 [0,2,0,0,0,0|1,0,1]=4 39 B14R0.231 CCCCNC(C)CCCCCC(=O)O AIFCHEM-94570970735 [0,2,0,0,0,0|0,0,2]=4 40 B14R0.305 CCN(C)CCCCCCCCC(=O)O AIFCHEM-6098109406 [0,2,0,0,0,0|0,0,2]=4 41 B14R0.337 CCCCCCCCCCNC(=O)CO AIFCHEM-94532679604 [0,2,0,0,0,0|0,0,2]=4 42 B14R0.337 CCCCCCCCNCCC(=O)OC AIFCHEM-6150288241 [0,2,0,0,0,0|0,0,2]=4 43 B14R0.394 CCCCCCCCCCNCC(=O)O AIFCHEM-5890255374 [0,2,0,0,0,0|0,0,2]=4 44 B14R0.394 CCCCCCCCCNCCC(=O)O AIFCHEM-5846252891 [0,2,0,0,0,0|0,0,2]=4 45 B14R0.394 CCCCCCCCNCCCC(=O)O AIFCHEM-5644044530 [0,2,0,0,0,0|0,0,2]=4 46 B14R0.394 CCCCCCCNCCCCC(=O)O AIFCHEM-94589461216 [0,2,0,0,0,0|0,0,2]=4 47 B14R0.394 CCCCCCCNCCOCC(=O)O AIFCHEM-94563712385 [0,2,0,0,0,0|0,0,2]=4 48 B14R0.394 CCCCCNCCCCCCC(=O)O AIFCHEM-94596321006 [0,2,0,0,0,0|0,0,2]=4 49 B14R0.394 CCCCNCCCCCCCC(=O)O AIFCHEM-94557839785 [0,2,0,0,0,0|0,0,2]=4 50 B14R0.394 CCCCNCCOCCOCC(=O)O AIFCHEM-94520999056 [0,2,0,0,0,0|1,0,1]=4 51 B14R0.394 CCCNCCCCCCCCC(=O)O AIFCHEM-94521368549 [0,2,0,0,0,0|0,0,2]=4 52 B14R0.394 CCNCCCCCCCCCC(=O)O AIFCHEM-94537414373 [0,2,0,0,0,0|0,0,2]=4 53 B14R0.394 COCCNCCCCCCCC(=O)O AIFCHEM-6057974995 [0,2,0,0,0,0|0,0,2]=4 54 B14R0.394 CSCCCNCCCCCCC(=O)O AIFCHEM-94546192373 [0,2,0,0,0,0|0,0,2]=4 55 B14R0.394 CSCCNCCCCCCCC(=O)O AIFCHEM-94598924875 [0,2,0,0,0,0|0,0,2]=4 56 B14R0.394 O=C(O)CCCCCCCCNCCF AIFCHEM-5800607137 [0,2,0,0,0,0|0,0,2]=4 57 B14R0.394 O=C(O)CCCCCCCCNCCO AIFCHEM-6463308944 [0,2,0,0,0,0|0,0,2]=4 58 B14R0.394 O=C(O)CCCCCCCNCCCO AIFCHEM-94523166543 [0,2,0,0,0,0|0,0,2]=4 59 B14R0.394 O=C(O)CCCCCNCCCCCO AIFCHEM-5895397361 [0,2,0,0,0,0|0,0,2]=4 60 B14R0.432 CCCN(C)CCCCCCCC(=O)O AIFCHEM-5824983272 [0,2,0,0,0,0|0,0,2]=4 61 B14R0.393 CCCCCCCCCNC(=O)COC AIFCHEM-6092173892 [0,2,0,0,0,0|1,0,1]=4 62 B12R1.75 CCN1CCCCC1CC(=O)O AIFCHEM-94537417690 [1,0,0,1,0,0|1,0,1]=4 63 B12R1.252 O=C(O)CCNC1CCCCC1 AIFCHEM-94601784199 [1,0,0,1,0,0|1,0,1]=4 64 B12R1.255 O=C(O)CCNCC1CCCC1 AIFCHEM-5845910100 [1,0,0,1,0,0|1,0,1]=4 65 B12R1.522 CCCCCN1CCC1C(=O)O AIFCHEM-94551430732 [1,0,0,1,0,0|1,0,1]=4 66 B12R1.522 CCCCCN1CC[C@@H]1C(=O)O AIFCHEM-94551436850 [1,0,0,1,0,0|1,0,1]=4 67 B12R1.522 CCCCCN1CC[C@H]1C(=O)O AIFCHEM-94551429848 [1,0,0,1,0,0|1,0,1]=4 68 B14R1.122 CCCCCCNCc1cc(cs1)O AIFCHEM-94571801815 [0,1,0,1,0,0|1,1,0]=4 69 B14R1.122 CCCCCCNCc1cc(on1)C AIFCHEM-6121839224 [0,1,0,1,0,0|2,0,0]=4 70 B14R1.122 CCCCCCNCc1ccc(o1)Br AIFCHEM-94575433686 [0,1,0,1,0,0|1,0,1]=4 71 B14R1.122 CCCCCCNCc1ccc(o1)I AIFCHEM-94575434446 [0,1,0,1,0,0|1,0,1]=4 72 B14R1.422 O=C(O)CSCCNC1CCCCC1 AIFCHEM-94535037620 [0,1,0,1,0,0|1,0,1]=4 73 B14R1.427 O=C(O)CCCCCNC1CCCC1 AIFCHEM-94541529104 [0,1,0,1,0,0|0,0,2]=4 74 B14R1.427 O=C(O)COCCNCC1CCCC1 AIFCHEM-6230790821 [0,1,0,1,0,0|1,0,1]=4 75 B14R1.651 CCCCN1CCCCCC1C(=O)O AIFCHEM-94523038700 [0,1,0,1,0,0|0,0,2]=4 76 B14R1.4521 O=C(O)CCCCCNCC1CCC1 AIFCHEM-94574976757 [0,1,0,1,0,0|0,0,2]=4 77 B14R1.6343 O=C(O)CCCNC1CCCCCC1 AIFCHEM-94529614221 [0,1,0,1,0,0|0,0,2]=4 78 B14R1.6343 O=C(O)NCCNC1CCCCCC1 AIFCHEM-94529603414 [0,1,0,1,0,0|1,0,1]=4 79 B14R1.716 O=C(CO)NCCCC1CCCCC1 AIFCHEM-5937835201 [0,1,0,1,0,0|1,0,1]=4