0 B19R1.86118 CCC(C(=O)O)Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-] Amb1005841 [0,0,0,0,0,0|1,0,0]=1 1 B19R1.86118 [O-][N+](=O)c1cc(ccc1N[C@@H](CO)C(O)=O)[N+]([O-])=O Amb22902266 [0,0,0,0,0,0|0,0,0]=0 2 B18R1.21315 CC(=O)c1cc(c(cc1)N[C@@H](C)C(O)=O)[N+]([O-])=O Amb25503335 [1,0,0,0,0,0|2,0,0]=3 3 B18R1.21315 CC(=O)c1cc(c(cc1)N[C@H](C)C(O)=O)[N+]([O-])=O Amb25503053 [1,0,0,0,0,0|2,0,0]=3 4 B18R1.21315 CC(C(=O)O)Nc1ccc(cc1[N+](=O)[O-])C(=O)O Amb17112151 [1,0,0,0,0,0|1,0,1]=3 5 B18R1.21315 CC(Nc1[n]cc(cc1C(N)=O)[N+]([O-])=O)C(O)=O Amb23942783 [1,0,0,0,0,0|3,0,0]=4 6 B18R1.21315 C[C@@H](Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)C(O)=O Amb22745759 [1,0,0,0,0,0|0,0,0]=1 7 B18R1.25738 CCC(CC)Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O Amb20691945 [1,0,0,0,0,0|2,0,1]=4 8 B18R1.25738 CC[C@@H](CO)Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O Amb23806793 [1,0,0,0,0,0|1,0,1]=3 9 B20R1.427869 CC(=O)c1cc(c(cc1)N[C@@H](C(C)C)C(O)=O)[N+]([O-])=O Amb25502661 [0,1,0,0,0,0|3,0,0]=4 10 B20R1.427869 CC(=O)c1cc(c(cc1)N[C@H](C(C)C)C(O)=O)[N+]([O-])=O Amb25502899 [0,1,0,0,0,0|3,0,0]=4 11 B20R1.427869 CC(C)[C@@H](Nc1ccc(cc1[N+]([O-])=O)C(N)=O)C(O)=O Amb25646241 [0,1,0,0,0,0|3,0,0]=4 12 B20R1.427869 CC(C)[C@@H](Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)C(O)=O Amb22902267 [0,1,0,0,0,0|1,0,0]=2 13 B20R1.427869 CC(C)[C@H](Nc1ccc(cc1[N+]([O-])=O)C(N)=O)C(O)=O Amb25644815 [0,1,0,0,0,0|3,0,0]=4 14 B20R1.427869 CC(O)[C@@H](Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)C(O)=O Amb22799803 [0,1,0,0,0,0|0,0,0]=1 15 B20R1.436739 CC(=O)c1cc(c(cc1)NC(CCC)C(O)=O)[N+]([O-])=O Amb25004528 [0,1,0,0,0,0|3,0,0]=4 16 B20R1.436739 CCCC(Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)C(O)=O Amb22733974 [0,1,0,0,0,0|1,0,0]=2 17 B20R1.2587315 C[C@@](CO)(Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)C(O)=O Amb24082658 [0,1,0,0,0,0|0,0,0]=1 18 B17R1.676 CC(=O)NNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-] Amb1845632 [2,0,0,0,0,0|2,0,0]=4 19 B17R1.676 NC(=O)CCc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O Amb17843433 [2,0,0,0,0,0|2,0,0]=4 20 B17R1.676 OC(=O)CNc1ccc(cc1[N+](=O)[O-])C(=O)C Amb16186958 [2,0,0,0,0,0|2,0,0]=4 21 B17R1.676 [O-]N(=O)c1cc(ccc1OCC(O)=O)[N+]([O-])=O Amb22290332 [2,0,0,0,0,0|1,0,1]=4 22 B17R1.676 [O-][N+](=O)c1cc(c(cc1)NCC(O)=O)C(O)=O Amb20671520 [2,0,0,0,0,0|1,0,1]=4 23 B17R1.2421 ClCC(=O)Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-] Amb1103598 [2,0,0,0,0,0|1,0,1]=4 24 B17R1.2421 OCC(=O)Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-] Amb1111473 [2,0,0,0,0,0|0,0,1]=3 25 B17R1.5265 C[C@@H](Nc1ccc(cc1C#N)[N+]([O-])=O)C(O)=O Amb24195191 [2,0,0,0,0,0|2,0,0]=4 26 B19R1.25769 C[C@@H](Nc1ccc(cc1[N+]([O-])=O)S(C)(=O)=O)C(O)=O Amb25503050 [1,1,0,0,0,0|1,0,1]=4 27 B19R1.25769 C[C@H](Nc1ccc(cc1[N+]([O-])=O)S(C)(=O)=O)C(O)=O Amb25503334 [1,1,0,0,0,0|1,0,1]=4 28 B19R1.26479 C[C@@H](Nc1ccc(cc1S(C)(=O)=O)[N+]([O-])=O)C(O)=O Amb25645108 [1,1,0,0,0,0|1,0,1]=4 29 B19R1.26485 CC(=O)c1cc(c(cc1)N(C)C(C)C(O)=O)[N+]([O-])=O Amb25502161 [1,1,0,0,0,0|2,0,0]=4 30 B19R1.46074 CCC(=O)c1cc(c(cc1)N[C@@H](C)C(O)=O)[N+]([O-])=O Amb25644583 [1,1,0,0,0,0|2,0,0]=4 31 B19R1.46074 CCC(=O)c1cc(c(cc1)N[C@H](C)C(O)=O)[N+]([O-])=O Amb25645151 [1,1,0,0,0,0|2,0,0]=4 32 B19R1.46074 CNC(=O)c1cc(c(cc1)NC(C)C(O)=O)[N+]([O-])=O Amb19920321 [1,1,0,0,0,0|2,0,0]=4 33 B19R1.46074 CNC(=O)c1cc(c(cc1)N[C@@H](C)C(O)=O)[N+]([O-])=O Amb25644710 [1,1,0,0,0,0|2,0,0]=4 34 B19R1.46074 CNC(=O)c1cc(c(cc1)N[C@H](C)C(O)=O)[N+]([O-])=O Amb25645285 [1,1,0,0,0,0|2,0,0]=4 35 B19R1.256329 C[C@@H](Nc1cc(F)c(cc1[N+]([O-])=O)[N+]([O-])=O)C(N)=O Amb19131995 [1,1,0,0,0,0|1,0,0]=3 36 B19R1.256329 NC(=O)[C@@H](Nc1cc(F)c(cc1[N+](=O)[O-])[N+](=O)[O-])C Amb17613388 [1,1,0,0,0,0|1,0,0]=3 37 B19R1.58647 CCC(CCO)Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O Amb23668637 [1,1,0,0,0,0|1,0,1]=4 38 B19R1.58647 CCC(COC)Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O Amb23658847 [1,1,0,0,0,0|1,0,1]=4 39 B21R1.613953 CC(O)C(=NNc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)C(O)=O Amb22359731 [0,1,0,0,0,1|0,0,1]=3 40 B21R1.1033569 NC(=O)CC(C(=O)O)Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-] Amb2237339 [0,1,0,0,0,1|1,0,1]=4 41 B21R1.1033569 NC(=O)C[C@@H](Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)C(O)=O Amb22799931 [0,1,0,0,0,1|1,0,1]=4 42 B21R1.1033569 [O-][N+](=O)c1cc(ccc1N[C@@H](CC(O)=O)C(O)=O)[N+]([O-])=O Amb22902262 [0,1,0,0,0,1|0,0,1]=3 43 B21R1.930678 CC(C)C(Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)C(=O)NC Amb23751235 [0,2,0,0,0,0|2,0,0]=4 44 B21R1.930678 C[C@@H](CC)[C@H](Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)C(O)=O Amb22902263 [0,2,0,0,0,0|1,0,0]=3 45 B21R1.5853936 CC(C)[C@@H](Nc1cc(F)c(cc1[N+]([O-])=O)[N+]([O-])=O)C(N)=O Amb22353107 [0,2,0,0,0,0|2,0,0]=4 46 B21R1.984290 CSCCC(Nc1[n]cc(cc1[N+]([O-])=O)[N+]([O-])=O)C(O)=O Amb22733328 [0,2,0,0,0,0|1,1,0]=4 47 B21R1.984290 CSCC[C@@H](Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)C([O-])=O Amb24325262 [0,2,0,0,0,0|0,1,1]=4 48 B19R2.113317 [O-][N+](=O)c1cc(ccc1NC2COCC2)[N+]([O-])=O Amb23734366 [1,0,0,1,0,0|1,0,1]=4 49 B21R2.2404611 CN1CCC(Nc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)C1=O Amb23664449 [0,1,0,1,0,0|2,0,0]=4 50 B21R2.256828 NC(=O)C1CCCN1c2ccc(cc2[N+]([O-])=O)[N+]([O-])=O Amb20691475 [0,1,0,1,0,0|2,0,0]=4 51 B21R2.256828 OC(=O)[C@H]1CCCN1c2ccc(cc2[N+](=O)[O-])[N+](=O)[O-] Amb10067114 [0,1,0,1,0,0|1,0,0]=3 52 B17R1.16560 CC(=O)N(C)c1ccc(cc1[N+]([O-])=O)[N+]([O-])=O Amb22039442 [1,0,0,0,1,0|2,0,0]=4 53 B19R1.282104 CC(=O)\C(\C)=N\Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O Amb22055035 [1,0,0,0,0,1|1,0,1]=4