Compound List

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Compound	Smiles	Mol
C498820	COC(=O)CCN(C)C(=O)C1CCCN1C
C498822	C=C1CC2(CCCCC2)C1
C498823	C#CC1(OCC(=O)O)CN(C(=O)OC(C)(C)C)C1
C498824	Sc1nnc(CCCc2ccccc2)[nH]1
C498825	NCC1CCC2(CC2)CO1
C498826	O=C(CI)NCC1CC1
C498827	COC(C(=O)O)C1CCN(C(=O)OC(C)(C)C)C1
C498829	COc1cc2c(cc1C(=O)O)OC(C)C2
C498832	COc1ccc(C23COCC(C(=O)O)(C2)C3)cc1
C498833	CC(C)(C)OC(=O)N1CC2CC(C1)C(F)(C(=O)O)C2
C498834	O=C(c1ccccc1)N1CCCc2cc(-c3csc(Nc4ccc(Cl)nc4)n3)ccc21
C498835	CC(C)(C)OC(=O)Nc1[nH]nnc1C(=O)O
C498838	N#Cc1c(N)nc(N)nc1Cl
C498840	CC(C)(C)OC(=O)N1CCC(C)(C)C1CBr
C498843	CCC(=O)N1CCC(NC(=O)N(C)C)CC1
C498844	CC(C)(C)OC(=O)c1ccncc1Br
C498845	O=S(=O)(NCCOC12CC3CC(CC(C3)C1)C2)c1ccc(Br)s1
C498849	O=C1NC(=O)C2(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)CC1C2
C498851	c1ccc(CN2C3(CCCC24CC4)CC3)cc1
C498852	CN1C(=O)NCc2ccc(Br)cc21
C498853	O=C(O)c1[nH]ccc1Br
C498854	CC(C)(C)OC(=O)N1C2CCC1c1c(I)n[nH]c1C2
C498857	C=C(NC(=O)C(C)C)C(=O)O
C498858	CC1(C)CCC(CCC(=O)O)OC1
C498860	C=CCSCCNC(=O)OC(C)(C)C
C498862	C#CCN(C)C(=O)CCN(C)C
C498865	O=C(O)CCCc1ccc(I)cc1
C498872	COc1ccc(C=CC(=O)O)cc1COc1ccc(C)cc1
C498873	Nc1ccc(C(=O)O)c2c1OCO2
C498876	O=C(O)CCC1CN(C(=O)OCC2c3ccccc3-c3ccccc32)CCO1
C498877	[N-]=[N+]=NCc1ccc(OC(F)(F)C(F)(F)F)cc1
C498879	CN(C)P(c1ccc(Br)cc1)N(C)C
C498882	Cc1ccc2[nH]cc([N+](=O)[O-])c2c1
C498883	CNc1ccc(Br)cc1C#N
C498886	CCC(=O)C(C)N
C498887	Cc1ccc2cc[nH]c2n1
C498890	O=C1NC(C(F)F)CO1
C498891	Cc1nonc1COc1ccc(C(=O)O)cc1Br
C498892	CC1(CN)CCc2ccccc21
C498894	O=C(O)c1cc(NC(=O)C2CCCC2)ccc1Cl
C498901	COc1ccc(Cn2cc(C(=O)NC3CCC(c4ccc(OC5CCN(C)CC5)cc4)CC3)nn2)cc1
C498903	Cc1c(Cl)cc(S(=O)(=O)O)cc1[N+](=O)[O-]
C498904	CC(C)(C)OC(=O)N1CCc2c(cc(Br)n2C(=O)OC(C)(C)C)C1
C498905	[N-]=[N+]=NCCOCCOCC(=O)N1CCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)CC1
C498907	COc1nn(CSP(=O)(OC)SC)c(=O)s1
C498908	CC(C)(C)OC(=O)N1CCN2C(=O)NCCC2C1
C498909	O=C(CCl)NCCOC(F)(F)F
C498911	O=C(Cl)C1CC2C=CC1C2
C498912	NC(=O)c1cccc2ccc3ccccc3c12
C498913	COC(=O)C1C2CC(C=O)(C2)N1C(=O)OC(C)(C)C
C498916	O=C(O)C1CC2COCC2N1
C498918	[N-]=[N+]=NC1(c2cccc(Cl)c2Cl)CNC1
C498919	CCOc1cc(C=CC(=O)O)ccc1OCc1ccccc1
C498922	CC(=O)OI1(OC(C)=O)(OC(C)=O)OC(=O)c2ccccc21
C498923	CCCCCCC(C)(C)c1cc(O)c(C2CC(=O)C3CC2C3(C)C)c(OC(=O)C=CC(=O)O)c1
C498924	Cc1ccn(Cc2csc(C)n2)c(=O)c1
C498926	NCCc1nc2cc3c(cc2[nH]1)CCCC3
C498927	CN1CCNCC1c1noc(C2CC2)n1
C498928	O=Cc1cnc(O)nc1
C498929	COC(=O)C(Oc1ccc(C(C)=O)cc1F)c1ccc(F)cc1
C498932	CC(C)(C)OC(=O)Nc1cccc(-c2cccc(C(=O)O)c2)c1
C498933	CCC(NC(=O)OC(C)(C)C)C(=O)c1ccc(C)cc1
C498934	Cc1ccc(F)c2cc(Br)cnc12
C498939	CCOC(=O)C(CCc1ccccc1)N(N=O)C(C)C(=O)N1CCCC1C(=O)O
C498940	C#CCCNC(=O)C(N)Cc1ccccc1
C498944	CC(C)(C)OC(=O)N1CCCC2(CCC1)CCNC2=O
C498945	CC(C)(C)OC(=O)NC1(C(F)(F)F)CC(=O)C1
C498946	Cc1nsc(Nc2c(F)c(F)cc(F)c2F)c1C#N
C498948	CC(C)(C)OC(=O)N1CC(N2Cc3c(N)cccc3C2=O)C1
C498949	CNCc1cn(C)nc1Br
C498953	CC(N)CCCS(C)(=O)=O
C498955	NCCc1ccsc1Cl
C498961	Cc1ccc(F)c(NC(=O)CCl)c1
C498965	CNc1ccc(S(=O)(=O)C(F)(F)Cl)cc1N
C498967	CN1CC=C(C(=O)O)CC1
C498968	CC1(C)OCCNC12COC2
C498974	OCC12C3CC(CC31)C2(F)F
C498977	CCC1CSC(Nc2ccc(Cl)cc2)=N1
C498981	N#Cc1nccc(C(=O)O)c1F
C498983	FC(F)(F)COP(=S)(OCC1CCCCC1)OCC(F)(F)F
C498984	CCCNC(=O)C(C)O
C498986	CC(C)(C)Cc1nccc(N)n1
C498987	O=CC1CC1C(=O)[O-]
C498989	C#CCCC1(CCC(=O)N2CCC(C(=O)O)C2C)N=N1
C498990	NS(=O)(=O)CC1CC(N2C(=O)C=CC2=O)C1
C498994	CCOC(=O)C12CC(C)(C1)OC2C1CN(C(=O)OC(C)(C)C)C1
C498995	CC(=O)N(Cc1ccccc1)c1ncnc2nc[nH]c12
C499000	C#CC1COCOC1
C499002	O=C1OC(c2cc3ccccc3[nH]2)=NC1=Cc1cccc2ccncc12
C499006	CC(C)(C)S(=O)N=CC(F)(F)F
C499007	O=C(O)CCCC(=O)N1CCc2[nH]c3ccccc3c2C1
C499008	N#CC1(CC2CC2)CNC1
C499010	CC(C)(C)OC(=O)N1CC2(CCNCC2)c2ccc(F)cc21
C499011	CC(C)(C)OC(=O)N1CCC(=O)C1(C)c1ccccc1
C499017	[C-]#[N+]C1CCSCC1
C499019	CCC12CCC(CO)(CC1)NC2
C499020	Nc1c(I)cncc1I
C499021	NNC(=O)c1ccncc1Cl
C499024	NC(=O)P(=O)([O-])[O-]
C499026	Cc1c(N)cnc2[nH]ccc12