Compound List

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Compound	Smiles	Mol
C498017	Cn1cnc(C2CNCC2NC(=O)OC(C)(C)C)c1
C498018	O=C1C2CCC2(OCC(F)(F)F)C(=O)N1Cc1ccccc1
C498020	CN(C[Sn]12CCCN(CCC1)CCC2)C(=O)OC(C)(C)C
C498021	F[B-](F)(F)C12CC(C(F)(F)C(F)(F)F)(C1)C2
C498028	CC(C)(C)OC(=O)C1(C)CCC(C(=O)O)CC1
C498034	Cc1nn(CC(=O)N2CCCC(C)C2CCN)c(C)c1Cl
C498036	COc1cc(C)cc(OC)c1S(N)(=O)=O
C498038	CC(C)(C)OC(=O)N1C(C(=O)O)C2CC1(CO)C2
C498040	COc1ccc(NC(N)=O)cc1
C498041	CCC(O)c1cc(OC)c(OC)c(OC)c1
C498046	COC(=O)c1cc2c(OC)cc(OC)cc2[nH]1
C498049	Brc1ccc2ncnc(N3CCCNCC3)c2c1
C498050	NCCNC(=O)COc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O
C498051	Cc1nc(CC2CCCC2)sc1N(Cc1cccc(C#N)c1)C(=O)Nc1cnc2ccccc2c1
C498052	COC(=O)c1cnc(Cl)c2ncccc12
C498053	CC(C)(C)OC(=O)Nc1cccc(Br)c1
C498054	Cc1ccc(B2OC(C)(C)C(C)(C)O2)nc1
C498057	Brc1cn2c(n1)CNCC2
C498058	O=C(O)c1ccc(-c2ccc(S)cc2)cc1
C498060	O=C(O)c1cc(O)cc(Cl)c1Br
C498061	O=C([O-])C([O-])=CC(=O)c1ccc[nH]1
C498062	CC(O)(C(=O)O)c1cccc(C(F)(F)F)c1
C498066	N#CC(C#N)=NNc1ccc(OC(F)(F)F)cc1
C498067	CN1CCC(n2ccc(C(=O)O)cc2=O)CC1
C498070	CN(C)c1ccc2c(c1)nc(C=O)n2C
C498073	NCCNC1CCOCC1
C498074	COc1ncc(NC(=O)OCC(F)(F)F)cc1C
C498076	CNCCc1ccc([N+](=O)[O-])cc1Br
C498077	COC(=O)Cc1nc(-c2ccccc2)ns1
C498078	COC(=O)Cc1nccc(-c2cc(Cl)ccc2OC)n1
C498079	CC12CC(NC(=O)OCc3ccccc3)(C1)C(c1ccc(Cl)cc1)O2
C498080	C=CCSCCl
C498081	CC(C)(CCS(=O)(=O)c1ncccn1)NC(=O)OC(C)(C)C
C498082	O=C(NCCN1CCNCC1)Nc1ccc(Cl)cc1
C498085	CCc1c(C(C)NCC(N)=O)oc2ccccc12
C498086	O=C1CN(C2CCCC2)CCN1
C498087	O=C(O)c1c(C(F)(F)F)nc2cnccn12
C498088	CC(C)(C)OC(=O)N1CCC(CC2CNC2)CC1
C498093	CC12CCCC(C(=O)O)(C1)C2
C498095	CC(=O)CC(=O)OCC(COC(=O)CC(C)=O)OC(=O)CC(C)=O
C498097	CC1=C2OC(C)OC2CC(C)(C)C1=O
C498098	C=CS(=O)(=O)CCCNC(=O)OC(C)(C)C
C498099	CC(C)S(=N)(N)=O
C498100	CCC(C)Nc1nc(SC)nc(Cl)c1Cc1ccc(OC)cc1
C498102	COC(=O)C(CC(=O)ON1C(=O)CCC1=O)NC(=O)OCC1c2ccccc2-c2ccccc21
C498103	CNC(=O)NCCc1cc[nH]n1
C498104	CC(C)CCCC(C)CCCC(C)CCO
C498109	COC(=O)c1ccc2c(=O)n(-c3ccc(F)cc3)c(=O)[nH]c2c1
C498110	CCC(C)C(=O)OC1CC(O)C=C2C=CC(C)C(CCC(O)CC(O)CC(=O)[O-])C21
C498111	C#CCCCCC1CCCNC1
C498114	COCOc1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1
C498115	NC(=NO)c1ccc(Br)c(C(F)(F)F)c1
C498118	[N-]=[N+]=Nc1cc(Br)ccc1OC(F)(F)F
C498119	O=P(NCc1ccc(Br)cc1)(OCC(F)(F)F)OCC(F)(F)F
C498120	Cc1cc(=O)n2c(CCN)csc2n1
C498121	COc1cc(Br)nc(NN)c1
C498124	CCN1CC=C(B2OC(C)(C)C(C)(C)O2)CC1
C498125	O=C(O)C(F)c1ccccc1Br
C498126	Cc1ccc2c(c1)C(Nc1nc(N)nc(C(C)F)n1)C(C)C2
C498128	CCOC(=O)C1(CO)CCC1
C498130	OCCNc1nc(N2CCN(c3ccccc3)CC2)nc2ccccc12
C498134	Cn1cnc2c1CCC(N)C2
C498135	Cn1ccnc1-c1cccc(CN)c1
C498138	FC(F)(F)c1cc(N2CCNCC2)ccc1Cl
C498139	COC(CC1(CN)CCOCC1)OC
C498143	CC(C)(C(=O)O)n1cc(C2CCNC2)nn1
C498144	Cc1cc([N+](=O)[O-])cc(N)c1C
C498145	Nc1cc(F)c(Br)cc1OC(F)(F)F
C498147	CC(C)(C)OC(=O)N1CCCN(C(=O)OC(C)(C)C)CC(O)C1
C498150	CCOC(=O)C12CC1CN(Cc1ccccc1)C2
C498151	F[B-](F)(F)C1CCC2(COC2)OC1
C498152	CC(C)(C)OC(=O)NC(CCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)C=[N+]=[N-]
C498153	O=C(O)c1cc2n(n1)C(C(F)(F)F)CC(c1ccc(F)cc1)N2
C498154	COC(C(=O)N1Cc2c(-c3ccc(C(=O)N4CCCc5ccccc54)cc3)cnn2CC1C(C)C)c1cnn(C)c1
C498155	O=c1[nH]c(-c2ccc(C(F)(F)F)s2)nc2sc(C(F)(F)F)cc12
C498157	COC(=O)C1(CCNC(=O)OC(C)(C)C)CCN=N1
C498158	Nc1cc(Br)c(Cl)cc1CO
C498164	NC(CCSCCO)C(=O)O
C498165	CN(C)C1(CNC(=O)OC(C)(C)C)CCC1
C498167	COC(=O)CCC(F)(F)Br
C498168	O=C(O)c1ccc2c(c1)N(C(=O)OCC1c3ccccc3-c3ccccc31)CC21CCCC1
C498171	O=c1[nH]c(=O)c2cnc(Cl)c(F)c2[nH]1
C498173	COC(CCN)CCF
C498176	CC1(C)CC(C=O)CO1
C498178	O=C(O)C12CCC(c3ccc(OC(F)(F)F)cc3)(C1)C2
C498179	NNC(=O)CC(O)c1ccccc1
C498180	COC(=O)c1c(F)c(F)c(C(=O)O)c(F)c1F
C498181	c1ccc(CN2CCC(n3cccc3)CC2)cc1
C498182	O=C(CCl)NCCc1ncc(F)cn1
C498187	Cc1ccc(CCNC(=O)OC(C)(C)C)cc1N
C498189	Nc1nc(Br)nc2c1nc(Br)n2C1OC2COP(=O)(O)OC2C1O
C498191	Cc1cc(CO)ccc1S(C)(=O)=O
C498192	c1csc(-c2nc3ccccc3s2)c1
C498193	COCc1ccc2cc(C(=O)O)[nH]c2c1
C498194	Clc1nc2c(Cl)ncnc2s1
C498198	CC1(C)OB(c2ccc(C34CC(C3)C4)cc2)OC1(C)C
C498201	CC(C)c1cc(-n2cncn2)nc(N)n1
C498203	CC1CCC(CCCN)O1
C498205	NC(=O)c1cn(-c2ccccc2)nc1N
C498206	O=C(O)c1c(-c2ccccc2)noc1C(F)F