0 B18R0.7795 CCCCCCCCCCCC(=O)OCC(O)CO MCULE-9747489063 [0,0,0,0,0,0|0,0,0]=0 1 B17R0.192 CCCCCCCCCCCC(=O)CC[NH+](C)C MCULE-4112641680 [1,0,0,0,0,0|3,0,0]=4 2 B17R0.192 CCCCCCCCCCCC(=O)CC[NH+](C)C MCULE-5582148883 [1,0,0,0,0,0|3,0,0]=4 3 B17R0.192 CCCCCCCCCCCC(=O)NCC(=O)O MCULE-6143868562 [1,0,0,0,0,0|1,0,2]=4 4 B17R0.192 CCCCCCCCCCCC(=O)OCC(C)C MCULE-3036473776 [1,0,0,0,0,0|1,0,0]=2 5 B17R0.195 CCCCCCCCCCCCCCC(N)CO MCULE-1144393791 [1,0,0,0,0,0|2,0,1]=4 6 B17R0.195 CCCCCCCCCCCCCCC(N)CO MCULE-5825082970 [1,0,0,0,0,0|2,0,1]=4 7 B17R0.195 CCCCCCCCCCCCCCC(O)CN MCULE-9897370432 [1,0,0,0,0,0|2,0,1]=4 8 B17R0.195 CCCCCCCCCCCCCCC(O)CO MCULE-2636575508 [1,0,0,0,0,0|1,0,1]=3 9 B17R0.195 CCCCCCCCCCCCCC[C@@H](O)CO MCULE-3808241334 [1,0,0,0,0,0|1,0,1]=3 10 B17R0.195 CCCCCCCCCCCCCC[C@H](O)CO MCULE-8633813799 [1,0,0,0,0,0|1,0,1]=3 11 B17R0.195 CCCCCCCCCCCCOCC(O)CO MCULE-5273465880 [1,0,0,0,0,0|0,0,1]=2 12 B17R0.3110 CCCCCCCCCCCC(=O)CCCCC MCULE-9985880273 [1,0,0,0,0,0|2,0,0]=3 13 B17R0.3110 CCCCCCCCCCCC(=O)OCCCC MCULE-4462350535 [1,0,0,0,0,0|1,0,0]=2 14 B17R0.12415 CCCCCCCCCCC(=O)OCC(O)CO MCULE-3422039123 [1,0,0,0,0,0|0,0,0]=1 15 B17R0.12415 CCCCCCCCCCC(=O)OCC(O)CO MCULE-9019046315 [1,0,0,0,0,0|0,0,0]=1 16 B19R0.18068 CCCCCCCCCCCCC(=O)OCC(O)CO MCULE-1712593809 [0,1,0,0,0,0|0,0,0]=1 17 B19R0.25649 [C@@H](N)(COC(=O)CCCCCCCCCCC)C(=O)O MCULE-1352537287 [0,1,0,0,0,0|1,0,1]=3 18 B16R0.274 CCCCCCCCCCCCCCC(C)O MCULE-8477286739 [2,0,0,0,0,0|1,0,1]=4 19 B16R0.661 CCCCCCCCCCCC(=O)NCCO MCULE-3793069187 [2,0,0,0,0,0|1,0,0]=3 20 B16R0.661 CCCCCCCCCCCC(=O)OCCC MCULE-9916183085 [2,0,0,0,0,0|0,0,0]=2 21 B16R0.661 CCCCCCCCCCCC(=O)OCCCl MCULE-2443572008 [2,0,0,0,0,0|1,0,0]=3 22 B16R0.661 CCCCCCCCCCC[NH+](C)CCCO MCULE-7858117314 [2,0,0,0,0,0|2,0,0]=4 23 B16R0.661 CCCCCCCCCCC[NH+](C)CCCO MCULE-9070141209 [2,0,0,0,0,0|2,0,0]=4 24 B16R0.3183 CCCCCCCCCNC(=O)CCC(C)O MCULE-5522706315 [2,0,0,0,0,0|2,0,0]=4 25 B16R0.221 CCCCCCCCCCCCCC(N)CO MCULE-6569333741 [2,0,0,0,0,0|1,0,1]=4 26 B16R0.221 CCCCCCCCCCCCCC(N)CO MCULE-9950796518 [2,0,0,0,0,0|1,0,1]=4 27 B16R0.221 CCCCCCCCCCCCCC(O)CC MCULE-3941630395 [2,0,0,0,0,0|1,0,1]=4 28 B16R0.303 CCCCCCCCCCCCCCCCO MCULE-9457426256 [2,0,0,0,0,0|1,0,1]=4 29 B16R0.303 CCCCCCCCCCCCOCCCN MCULE-9349081748 [2,0,0,0,0,0|1,0,1]=4 30 B16R0.303 CCCCCCCCCCCCSCCCO MCULE-5140051072 [2,0,0,0,0,0|0,1,1]=4 31 B16R0.303 [NH3+]CCCOCCCCCCCCCCCC MCULE-9082677353 [2,0,0,0,0,0|1,0,1]=4 32 B16R0.68 CCCCCCCCCCC(=O)CCCCC MCULE-2586042013 [2,0,0,0,0,0|2,0,0]=4 33 B16R0.6606 CCCCCCCCCC(=O)OCC(O)CO MCULE-1466836615 [2,0,0,0,0,0|0,0,0]=2 34 B16R0.6606 CCCCCCCCCC(=O)OCC(O)CO MCULE-9612480817 [2,0,0,0,0,0|0,0,0]=2 35 B18R0.7797 CCCCCCCCCCCC(=O)NCC(C)(C)O MCULE-3355248738 [1,1,0,0,0,0|1,0,0]=3 36 B18R0.7797 CCCCCCCCCCCC(=O)OOC(C)(C)C MCULE-9174955997 [1,1,0,0,0,0|2,0,0]=4 37 B18R0.110 CCCCCCCCCCCCCCC(O)CCO MCULE-1422813299 [1,1,0,0,0,0|1,0,1]=4 38 B18R0.189 CCCCCCCCCCC/C=C/[C@@H](O)[C@@H](N)CO MCULE-4348199467 [1,1,0,0,0,0|2,0,0]=4 39 B18R0.189 CCCCCCCCCCCC=C[C@@H](O)[C@@H](N)CO MCULE-8954635218 [1,1,0,0,0,0|2,0,0]=4 40 B18R0.233 CCCCCCCCCCCC(=O)CCCC(=O)O MCULE-2196708286 [1,1,0,0,0,0|1,0,1]=4 41 B18R0.233 CCCCCCCCCCCC(=O)NCCC(=O)O MCULE-6527680066 [1,1,0,0,0,0|1,0,1]=4 42 B18R0.233 CCCCCCCCCCCC(=O)OCCC(C)C MCULE-5663210635 [1,1,0,0,0,0|1,0,0]=3 43 B18R0.233 CCCCCCCCCCCC(=O)OCCN(C)C MCULE-2435707940 [1,1,0,0,0,0|2,0,0]=4 44 B18R0.7792 CCCCCCCCCCCC(=O)OCCCCC MCULE-7976693067 [1,1,0,0,0,0|1,0,0]=3 45 B18R0.19788 CCCCCCCCCCSCC(=O)NCCCC MCULE-4379638923 [1,1,0,0,0,0|2,0,0]=4 46 B20R0.22320 CCCCCCCCCCCCCC(=O)OCC(O)CO MCULE-3694237093 [0,2,0,0,0,0|0,0,0]=2 47 B20R0.26190 CC(C)CCCCCCCCCCC(=O)OCC(O)CO MCULE-1709238444 [0,2,0,0,0,0|0,0,0]=2 48 B18R1.103948 O=C(CCN1CCCCCCC1)NCC(O)CO MCULE-7998062158 [1,0,0,1,0,0|2,0,0]=4 49 B16R0.302 CCCCCCCCCCCC(=O)OC(C)C MCULE-9116592768 [1,0,0,0,1,0|1,0,0]=3 50 B16R0.302 CCCCCCCCCCNC(=O)OC(C)C MCULE-2107163626 [1,0,0,0,1,0|2,0,0]=4 51 B16R0.70 CCCCCCCCCCCC(=O)C(O)CC MCULE-9580362062 [0,0,0,0,2,0|1,0,0]=3