Compound ,SMILES
11,N[C@H](CC)C(O)=O
12,CCC(C(O)=O)/N=C/C1=CC=CC=C1
13,CCC(CC)(N)C(OCC)=O
14,CCC(CC)(NC(C1=C(C)N(C[C@@H]2OCCC2)C(C3=CC(C(F)(F)F)=CC=C3C(F)(F)F)=C1)=O)C(OCC)=O
15,CCC(CC)(NC(C1=NN(C2=CC=C(Cl)C=C2Cl)C(C3=CC=C(Cl)C=C3)=C1C)=O)C(OCC)=O
16,CCC(CC)(NC(C1=NN(C2=CC=C(Cl)C=C2Cl)C3=C1CCCC4=CC(Cl)=CC=C43)=O)C(OCC)=O
17,CCC(CC)(NC(C1=CN=C(OCC2CC2)C(C3=CC=C(F)C=C3)=C1)=O)C(OCC)=O
18,CCC(CC)(NC(C1=NC(C2=CC=C(Cl)C=C2)=C(OCCOC)N=C1)=O)C(OCC)=O
19,CCC(NC(C1=NN(CC2=CC=CC(F)=C2)C3=C1C=CC=C3)=O)(CC)C(OCC)=O
20,CCC(C(O)=O)(CC)NC(OCC1C(C=CC=C2)=C2C3=C1C=CC=C3)=O
21a,O=C(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)NC(CC)(CC)C(NCCOCCNC(OC(C)(C)C)=O)=O
21b,O=C(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)NC(CC)(CC)C(NCCOCCOCCNC(OC(C)(C)C)=O)=O
21c,O=C(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)NC(CC)(CC)C(NCCOCCOCCOCCNC(OC(C)(C)C)=O)=O
21d,O=C(NC(CC)(C(NCCOCCOCCOCCOCCNC(OC(C)(C)C)=O)=O)CC)OCC1C2=C(C=CC=C2)C3=C1C=CC=C3
22a,O=C(OC(C)(C)C)NCCOCCNC(C(CC)(NC(C1=C(C)N(C[C@@H]2OCCC2)C(C3=CC(C(F)(F)F)=CC=C3C(F)(F)F)=C1)=O)CC)=O
22b,O=C(OC(C)(C)C)NCCOCCOCCNC(C(CC)(CC)NC(C1=C(C)N(C[C@@H]2OCCC2)C(C3=CC(C(F)(F)F)=CC=C3C(F)(F)F)=C1)=O)=O
22c,O=C(OC(C)(C)C)NCCOCCOCCOCCNC(C(CC)(CC)NC(C1=C(C)N(C[C@@H]2OCCC2)C(C3=CC(C(F)(F)F)=CC=C3C(F)(F)F)=C1)=O)=O
23a,O=C(OC(C)(C)C)NCCOCCNC(C(CC)(NC(C1=NN(C2=CC=C(Cl)C=C2Cl)C(C3=CC=C(Cl)C=C3)=C1C)=O)CC)=O
23b,O=C(OC(C)(C)C)NCCOCCOCCNC(C(CC)(CC)NC(C1=NN(C2=CC=C(Cl)C=C2Cl)C(C3=CC=C(Cl)C=C3)=C1C)=O)=O
23c,O=C(OC(C)(C)C)NCCOCCOCCOCCNC(C(CC)(CC)NC(C1=NN(C2=CC=C(Cl)C=C2Cl)C(C3=CC=C(Cl)C=C3)=C1C)=O)=O
23d,O=C(OC(C)(C)C)NCCOCCOCCOCCOCCNC(C(CC)(CC)NC(C1=NN(C2=CC=C(Cl)C=C2Cl)C(C3=CC=C(Cl)C=C3)=C1C)=O)=O
24,O=C(OC(C)(C)C)NCCOCCOCCNC(C(CC)(CC)NC(C1=NN(C2=CC=C(Cl)C=C2Cl)C3=C1CCCC4=CC(Cl)=CC=C43)=O)=O
25,O=C(OC(C)(C)C)NCCOCCOCCNC(C(CC)(CC)NC(C1=CC(C2=CC=C(F)C=C2)=C(OCC3CC3)N=C1)=O)=O
26,O=C(OC(C)(C)C)NCCOCCOCCNC(C(CC)(CC)NC(C1=NC(C2=CC=C(Cl)C=C2)=C(OCCOC)N=C1)=O)=O
27,O=C(OC(C)(C)C)NCCOCCOCCNC(C(CC)(CC)NC(C1=NN(CC2=CC=CC(F)=C2)C3=C1C=CC=C3)=O)=O
28,O=C(C1=C(C)N(C[C@@H]2OCCC2)C(C3=CC(C(F)(F)F)=CC=C3C(F)(F)F)=C1)NC(CC)(C(NCCOCCOCCNC4=CC=C([N+]([O-])=O)C5=NON=C54)=O)CC
29,C/[N+](C)=C1C=CC2=C(C3=CC(C(NCCOCCOCCNC(C(CC)(CC)NC(C4=C(C)N(C[C@@H]5OCCC5)C(C6=CC(C(F)(F)F)=CC=C6C(F)(F)F)=C4)=O)=O)=O)=CC=C3C(O)=O)C7=C(C=C(N(C)C)C=C7)OC2=C/1.O=C([O-])C(F)(F)F.C/[N+](C)=C8C=CC9=C(C%10=CC=C(C(NCCOCCOCCNC(C(CC)(CC)NC(C%11=C(C)N(C[C@@H]%12OCCC%12)C(C%13=CC(C(F)(F)F)=CC=C%13C(F)(F)F)=C%11)=O)=O)=O)C=C%10C(O)=O)C%14=C(C=C(N(C)C)C=C%14)OC9=C/8.O=C([O-])C(F)(F)F
30,O=C(C1=NN(C2=CC=C(Cl)C=C2Cl)C(C3=CC=C(Cl)C=C3)=C1C)NC(CC)(C(NCCOCCOCCNC4=CC=C([N+]([O-])=O)C5=NON=C54)=O)CC
31,C/[N+](C)=C1C=CC2=C(C3=CC(C(NCCOCCOCCNC(C(CC)(CC)NC(C4=NN(C5=CC=C(Cl)C=C5Cl)C(C6=CC=C(Cl)C=C6)=C4C)=O)=O)=O)=CC=C3C(O)=O)C7=C(C=C(N(C)C)C=C7)OC2=C/1.O=C([O-])C(F)(F)F.C/[N+](C)=C8C=CC9=C(C%10=CC=C(C(NCCOCCOCCNC(C(CC)(CC)NC(C%11=NN(C%12=CC=C(Cl)C=C%12Cl)C(C%13=CC=C(Cl)C=C%13)=C%11C)=O)=O)=O)C=C%10C(O)=O)C%14=C(C=C(N(C)C)C=C%14)OC9=C/8.O=C([O-])C(F)(F)F
32,O=C(C1=NN(C2=CC=C(Cl)C=C2Cl)C3=C1CCCC4=CC(Cl)=CC=C43)NC(CC)(C(NCCOCCOCCNC5=CC=C([N+]([O-])=O)C6=NON=C65)=O)CC
33,C/[N+](C)=C1C=CC2=C(C3=CC(C(NCCOCCOCCNC(C(CC)(CC)NC(C4=NN(C5=CC=C(Cl)C=C5Cl)C6=C4CCCC7=CC(Cl)=CC=C76)=O)=O)=O)=CC=C3C(O)=O)C8=C(C=C(N(C)C)C=C8)OC2=C/1.O=C([O-])C(F)(F)F.C/[N+](C)=C9C=CC%10=C(C%11=CC=C(C(NCCOCCOCCNC(C(CC)(CC)NC(C%12=NN(C%13=CC=C(Cl)C=C%13Cl)C%14=C%12CCCC%15=CC(Cl)=CC=C%15%14)=O)=O)=O)C=C%11C(O)=O)C%16=C(C=C(N(C)C)C=C%16)OC%10=C/9.O=C([O-])C(F)(F)F
34,O=C(C1=NC(C2=CC=C(Cl)C=C2)=C(OCCOC)N=C1)NC(CC)(C(NCCOCCOCCNC3=CC=C([N+]([O-])=O)C4=NON=C43)=O)CC
35,C/[N+](C)=C1C=CC2=C(C3=CC(C(NCCOCCOCCNC(C(CC)(CC)NC(C4=NC(C5=CC=C(Cl)C=C5)=C(OCCOC)N=C4)=O)=O)=O)=CC=C3C(O)=O)C6=C(C=C(N(C)C)C=C6)OC2=C/1.O=C([O-])C(F)(F)F.C/[N+](C)=C7C=CC8=C(C9=CC=C(C(NCCOCCOCCNC(C(CC)(CC)NC(C%10=NC(C%11=CC=C(Cl)C=C%11)=C(OCCOC)N=C%10)=O)=O)=O)C=C9C(O)=O)C%12=C(C=C(N(C)C)C=C%12)OC8=C/7.O=C([O-])C(F)(F)F
36,O=C(C1=NN(CC2=CC=CC(F)=C2)C3=C1C=CC=C3)NC(CC)(C(NCCOCCOCCNC4=CC=C([N+]([O-])=O)C5=NON=C54)=O)CC
37,C/[N+](C)=C1C=CC2=C(C3=CC(C(NCCOCCOCCNC(C(CC)(CC)NC(C4=NN(CC5=CC=CC(F)=C5)C6=C4C=CC=C6)=O)=O)=O)=CC=C3C(O)=O)C7=C(C=C(N(C)C)C=C7)OC2=C/1.O=C([O-])C(F)(F)F.C/[N+](C)=C8C=CC9=C(C%10=CC=C(C(NCCOCCOCCNC(C(CC)(CC)NC(C%11=NN(CC%12=CC=CC(F)=C%12)C%13=C%11C=CC=C%13)=O)=O)=O)C=C%10C(O)=O)C%14=C(C=C(N(C)C)C=C%14)OC9=C/8.O=C([O-])C(F)(F)F
38,O=C(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)NC(CC)(C(NCCOCCOCCNC4=CC=C([N+]([O-])=O)C5=NON=C54)=O)CC
39,C/[N+](C)=C1C=CC2=C(C3=CC(C(NCCOCCOCCNC(C(CC)(CC)NC(OCC4C5=C(C6=C4C=CC=C6)C=CC=C5)=O)=O)=O)=CC=C3C(O)=O)C7=C(C=C(N(C)C)C=C7)OC2=C/1.O=C([O-])C(F)(F)F.C/[N+](C)=C8C=CC9=C(C%10=CC=C(C(NCCOCCOCCNC(C(CC)(CC)NC(OCC%11C%12=C(C%13=C%11C=CC=C%13)C=CC=C%12)=O)=O)=O)C=C%10C(O)=O)C%14=C(C=C(N(C)C)C=C%14)OC9=C/8.O=C([O-])C(F)(F)F
40,O=C(NC(CC)(C(NCCOCCOCCNC1=CC=C([N+]([O-])=O)C2=NON=C21)=O)CC)C3=CN=C(OCC4CC4)C(C5=CC=C(F)C=C5)=C3
41,C/[N+](C)=C1C=CC2=C(C3=CC(C(NCCOCCOCCNC(C(CC)(CC)NC(C4=CC(C5=CC=C(F)C=C5)=C(OCC6CC6)N=C4)=O)=O)=O)=CC=C3C(O)=O)C7=C(C=C(N(C)C)C=C7)OC2=C/1.O=C([O-])C(F)(F)F.C/[N+](C)=C8C=CC9=C(C%10=CC=C(C(NCCOCCOCCNC(C(CC)(CC)NC(C%11=CC(C%12=CC=C(F)C=C%12)=C(OCC%13CC%13)N=C%11)=O)=O)=O)C=C%10C(O)=O)C%14=C(C=C(N(C)C)C=C%14)OC9=C/8.O=C([O-])C(F)(F)F
42,CC1=C(C=C(C2=CC(C(F)(F)F)=CC=C2C(F)(F)F)N1C[C@@H]3OCCC3)C(O)=O
43,CC1=C(C2=CC=C(Cl)C=C2)N(C3=CC=C(Cl)C=C3Cl)N=C1C(O)=O
44,O=C(C1=NN(C2=CC=C(Cl)C=C2Cl)C3=C1CCCC4=CC(Cl)=CC=C43)O
45,FC(C=C1)=CC=C1C2=C(OCC3CC3)N=CC(C(O)=O)=C2
46,COCCOC(N=C1)=C(C2=CC=C(Cl)C=C2)N=C1C(O)=O
47,O=C(C1=NN(CC2=CC=CC(F)=C2)C3=C1C=CC=C3)O
48,O=C(OCC)C(C1=C(O)C2=CC=C(Cl)C=C2CCC1)=O
49,O=C(C1=NN(C2=CC=C(Cl)C=C2Cl)C3=C1CCCC4=CC(Cl)=CC=C43)OCC
50,O=C(C1=NN(CC2=CC=CC(F)=C2)C3=C1C=CC=C3)OC
51,O=C(C1=C(C)N(C[C@@H]2OCCC2)C(C3=CC(C(F)(F)F)=CC=C3C(F)(F)F)=C1)NC(CC)(C(NCCOCCOCCNC4=CC=C([N+]([O-])=O)C5=NSN=C54)=O)CC
52,O=C(C1=C(C)N(C[C@@H]2OCCC2)C(C3=CC(C(F)(F)F)=CC=C3C(F)(F)F)=C1)NC(CC)(C(NCCOCCOCCNC4=CC=C([N+]([O-])=O)C5=NNN=C54)=O)CC
S53,O=C(C1=C(C)N(C[C@@H]2OCCC2)C(C3=CC(C(F)(F)F)=CC=C3C(F)(F)F)=C1)ON4C5=CC=CN=C5N=N4