Compound,ID,,,SMILES
,,,,
Org27569,1,ClC1=CC=C(NC(C(NCCC2=CC=C(N3CCCCC3)C=C2)=O)=C4CC)C4=C1,,
,,,,
PSNCBAM-1,2,O=C(NC1=CC(C2=CC=CC(N3CCCC3)=N2)=CC=C1)NC4=CC=C(Cl)C=C4,,
,,,,
Lipoxin A4,3,CCCCC[C@H](O)/C=C/C=C\C=C\CC[C@@H](O)[C@@H](O)CCCC(O)=O,,
,,,,
Pregnenolone,4,O[C@H](C1)CC[C@@]2(C)C1=CC[C@]3([H])[C@]2([H])CC(C)[C@@]4(C)[C@@]3([H])CC[C@H]4C(C)=O,,
,,,,
,5,FC1=CC=C(C([H])=O)C=C1,,
,,,,
,6,[H]C(C1=CC=C(N2CCCCC2)C=C1)=O,,
,,,,
,7,O=[N+](/C=C/C1=CC=C(N2CCCCC2)C=C1)[O-],,
,,,,
,8,NCCC1=CC=C(N2CCCCC2)C=C1,,
,,,,
,9a,ClC1=CC=C(N)C=C1,,
,,,,
,9b,NC(C=C1)=CC=C1[N+]([O-])=O,,
,,,,
,10a,ClC1=CC=C([N+]#N)C=C1.[Cl-],,
,,,,
,10b,O=[N+](C1=CC=C([N+]#N)C=C1)[O-].[Cl-],,
,,,,
,12a,CC(C(CCC)C(OCC)=O)=O,,
,,,,
,12b,CC(C(CCCN1C(C(C=CC=C2)=C2C1=O)=O)C(OCC)=O)=O,,
,,,,
,15a,ClC1=CC=C(NC(C(OCC)=O)=C2CC)C2=C1,,
,,,,
,15b,O=C(OCC)C1=C(CC)C2=CC([N+]([O-])=O)=CC=C2N1,,
,,,,
,15c,ClC1=CC=C(NC(C(OCC)=O)=C2CCN3C(C(C=CC=C4)=C4C3=O)=O)C2=C1,,
,,,,
,16a,ClC1=CC=C(NC(C(O)=O)=C2CC)C2=C1,,
,,,,
,16b,CCC1=C(C(O)=O)NC2=CC=C([N+]([O-])=O)C=C21,,
,,,,
,17,O=C(NCCC1=CC=C(N2CCCCC2)C=C1)C3=C(CC)C4=CC([N+]([O-])=O)=CC=C4N3,,
,,,,
,18,NC1=CC=C(NC(C(NCCC2=CC=C(N3CCCCC3)C=C2)=O)=C4CC)C4=C1,,
,,,,
GAT206,19,O=C(NCCC1=CC=C(N2CCCCC2)C=C1)C3=C(CC)C4=CC(N=[N+]=[N-])=CC=C4N3,,
,,,,
GAT100,20,O=C(NCCC1=CC=C(N2CCCCC2)C=C1)C3=C(CC)C4=CC(N=C=S)=CC=C4N3,,
,,,,
,21,OC(C1=C(CCN)C2=C(N1)C=CC(Cl)=C2)=O,,
,,,,
,22,OC(C1=C(CCNC(OC(C)(C)C)=O)C2=C(N1)C=CC(Cl)=C2)=O,,
,,,,
,23,O=C(NCCC1=CC=C(N2CCCCC2)C=C1)C3=C(CCNC(OC(C)(C)C)=O)C4=C(N3)C=CC(Cl)=C4,,
,,,,
,24,O=C(NCCC1=CC=C(N2CCCCC2)C=C1)C3=C(CCN)C4=C(N3)C=CC(Cl)=C4,,
,,,,
GAT210,25,O=C(NCCC1=CC=C(N2CCCCC2)C=C1)C3=C(CCN=[N+]=[N-])C4=C(N3)C=CC(Cl)=C4,,
,,,,
GAT209,26,O=C(NCCC1=CC=C(N2CCCCC2)C=C1)C3=C(CCN=C=S)C4=C(N3)C=CC(Cl)=C4,,
,,,,
,27,BrC1=CC=CC(Br)=N1,,
,,,,
,28,N1CCCC1,,
,,,,
,29,BrC1=CC=CC(N2CCCC2)=N1,,
,,,,
,30,O=[N+](C1=CC=CC(C2=CC=CC(N3CCCC3)=N2)=C1)[O-],,
,,,,
,31,NC1=CC(C2=CC=CC(N3CCCC3)=N2)=CC=C1,,
,,,,
,32,NC1=CC=C(N=[N+]=[N-])C=C1,,
,,,,
GAT331,33,O=C(NC1=CC(C2=CC=CC(N3CCCC3)=N2)=CC=C1)NC4=CC=C(N=[N+]=[N-])C=C4,,
,,,,
GAT332,34,O=C(NC1=CC(C2=CC=CC(N3CCCC3)=N2)=CC=C1)NC4=CC=C(N=C=S)C=C4,,
,,,,
,35,O=C(C1=CC=C(N)C=C1)C2=CC=CC=C2,,
,,,,
GAT330,36,O=C(C1=CC=C(NC(NC2=CC(C3=CC=CC(N4CCCC4)=N3)=CC=C2)=O)C=C1)C5=CC=CC=C5,,