0 B18R0.13761 CC(C)(CCCCCCCCCCCN)NC(=O)O MCULE-8913973799 [0,0,0,0,0,0|3,0,1]=4 1 B18R0.13761 CCCCCCCCCCCC[N+](C)(C)CC(=O)N MCULE-7535935984 [0,0,0,0,0,0|1,0,0]=1 2 B18R0.13761 CCCCCCCCCCCC[N+](C)(C)CC(=O)N MCULE-7918674848 [0,0,0,0,0,0|1,0,0]=1 3 B18R0.13761 CCCCCCCCCCCC[N+](C)(C)CC(=O)[O-] MCULE-7072729295 [0,0,0,0,0,0|0,0,0]=0 4 B17R0.116 C=C(C)CC(C)CCCCCCCCCCCC MCULE-6821563173 [1,0,0,0,0,0|3,0,0]=4 5 B17R0.10075 C#CC[N+](C)(C)CCCCCCCCCCCC MCULE-5053585111 [1,0,0,0,0,0|1,0,1]=3 6 B17R0.10075 C#CC[N+](C)(C)CCCCCCCCCCCC MCULE-7212339012 [1,0,0,0,0,0|1,0,1]=3 7 B17R0.10075 C=CC[N+](C)(C)CCCCCCCCCCCC MCULE-4189728740 [1,0,0,0,0,0|1,0,0]=2 8 B17R0.10075 C=CC[N+](C)(C)CCCCCCCCCCCC MCULE-6646739367 [1,0,0,0,0,0|1,0,0]=2 9 B17R0.10075 CCCCCCCCCCCC[N+](C)(C)CCCl MCULE-6760760906 [1,0,0,0,0,0|1,0,1]=3 10 B17R0.10075 CCCCCCCCCCCC[N+](C)(C)CCCl MCULE-9002157945 [1,0,0,0,0,0|1,0,1]=3 11 B17R0.10075 CCCCCCCCCCCC[N+](C)(C)CCO MCULE-1483313165 [1,0,0,0,0,0|0,0,2]=3 12 B17R0.10075 CCCCCCCCCCCC[N+](C)(C)CCO MCULE-4799327303 [1,0,0,0,0,0|0,0,2]=3 13 B17R0.10075 CCCCCCCCCCCC[N+](C)(C)CCO MCULE-6211561144 [1,0,0,0,0,0|0,0,2]=3 14 B19R0.18064 CCCCCCCCCCCCS(=O)(=O)NCC(=O)[O-] MCULE-6022467485 [0,0,0,0,0,1|3,0,0]=4 15 B16R0.61 C=CCC(C)CCCCCCCCCCCC MCULE-1583125717 [2,0,0,0,0,0|2,0,0]=4 16 B16R0.274 CCCCCCCCCCCCCCC(=O)C MCULE-2580004145 [2,0,0,0,0,0|2,0,0]=4 17 B16R0.274 CCCCCCCCCCCCCCC(=O)Cl MCULE-8745106680 [2,0,0,0,0,0|2,0,0]=4 18 B16R0.274 CCCCCCCCCCCCCCC(=O)N MCULE-6897989236 [2,0,0,0,0,0|2,0,0]=4 19 B16R0.274 CCCCCCCCCCCCCCC(=O)O MCULE-3630464562 [2,0,0,0,0,0|1,0,1]=4 20 B16R0.274 CCCCCCCCCCCCNCC(=O)O MCULE-7069020402 [2,0,0,0,0,0|0,0,2]=4 21 B16R0.274 CCCCCCCCCCCCOCC(=O)O MCULE-5186628423 [2,0,0,0,0,0|1,0,1]=4 22 B16R0.274 CCCCCCCCCCCCSCC(=O)O MCULE-8937853494 [2,0,0,0,0,0|1,0,1]=4 23 B16R0.274 CCCCCCCCCCCC[NH2+]CC(=O)O MCULE-2182837845 [2,0,0,0,0,0|0,0,1]=3 24 B16R0.302 CCCCCCCCCCCC(C)CC(=O)O MCULE-2991345155 [2,0,0,0,0,0|1,0,1]=4 25 B16R0.3292 CCCCCCCCCCCC[N+](C)(C)CC MCULE-2942263659 [2,0,0,0,0,0|0,0,1]=3 26 B16R0.3292 CCCCCCCCCCCC[N+](C)(C)CC MCULE-5624256466 [2,0,0,0,0,0|0,0,1]=3 27 B18R0.220 CCCCCCCCCCCCCC(C)CC(=O)O MCULE-9201250713 [1,1,0,0,0,0|1,0,1]=4 28 B18R0.6543 CCCCCCCCCCCC(=O)N(C)CC(=O)[O-] MCULE-5242672539 [1,1,0,0,0,0|0,0,2]=4 29 B18R0.13760 CC#CC[N+](C)(C)CCCCCCCCCCCC MCULE-3401623692 [1,1,0,0,0,0|1,0,1]=4 30 B18R0.13760 CC#CC[N+](C)(C)CCCCCCCCCCCC MCULE-7179153698 [1,1,0,0,0,0|1,0,1]=4 31 B18R0.13760 CCCCCCCCCCCC[N+](C)(C)CCCC MCULE-3060619665 [1,1,0,0,0,0|1,0,1]=4 32 B18R0.13760 CCCCCCCCCCCC[N+](C)(C)CCCC MCULE-8621901506 [1,1,0,0,0,0|1,0,1]=4 33 B18R0.13760 CCCCCCCCCCCC[N+](C)(C)CCCCl MCULE-7480617774 [1,1,0,0,0,0|1,0,1]=4 34 B18R0.13760 CCCCCCCCCCCC[N+](C)(C)CCCCl MCULE-9758021858 [1,1,0,0,0,0|1,0,1]=4 35 B20R0.176605 CCCCCCCCCCCC[N+](C)(C)CC(=O)OCC MCULE-2886535542 [0,2,0,0,0,0|0,0,1]=3 36 B20R0.176605 CCCCCCCCCCCC[N+](C)(C)CC(=O)OCC MCULE-3856392768 [0,2,0,0,0,0|0,0,1]=3 37 B16R0.224 CCCCCCCCCCCCC(C)C(=O)C MCULE-3149404714 [1,0,0,0,1,0|2,0,0]=4 38 B16R0.224 CCCCCCCCCCCCC(C)C(=O)O MCULE-3088988040 [1,0,0,0,1,0|1,0,1]=4