Compound List

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Compound	Smiles	Mol
C499438	CC(=O)OCc1ccc(C(=O)O)cc1
C499439	CCc1ccc(-n2cccc2C=O)cc1
C499440	CC(C)(O)COc1ccc(Br)cc1C=O
C499441	CC(C)(C)OC(=O)N1CCCn2ncc(B3OC(C)(C)C(C)(C)O3)c21
C499442	O=C(O)COc1cc(F)c(Br)cc1[N+](=O)[O-]
C499443	CC(=O)N1CCC(O)CC1
C499444	CCOC(=O)c1cnc2c(C)c(C)ccc2c1Cl
C499447	CC(=O)Cn1c(C(=O)O)cc2occc21
C499452	O=C(O)Cc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1
C499453	O=C=Nc1cc(F)c(F)cc1F
C499454	CNc1cc(Br)nn1C
C499455	O=Cc1n[nH]c2cnccc12
C499460	CN1c2ccccc2CP1(=O)c1ccccc1
C499462	Cn1c(=O)oc2cc(CCl)c(Cl)cc21
C499463	CSCCCC(N)=O
C499465	N#Cc1csnc1C(F)F
C499466	Cc1ccc(C(CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)c(C)c1
C499469	Cc1sc(=NC(=O)C2C(C)(C)C2(C)C)n(CCCCBr)c1C
C499470	CC(NC(=O)OC(C)(C)C)C(=O)N1Cc2ccccc2CC1C(=O)O
C499471	O=C(O)CSc1nc(-c2ccc(Cl)cc2)nc2sc3c(c12)CCC3
C499475	Cc1ccc(NC(=O)C(=O)NCc2ccccc2)c(-c2ccccc2)c1
C499476	CNc1nnc(CN)o1
C499477	O=Cc1c(Cl)ccc2ccoc12
C499479	NCCc1ccc(F)c(I)c1
C499480	O=C([O-])c1cc2ncccc2cn1
C499483	NCCCC(=NO)c1ccccc1
C499484	CN1CCN(c2ccc(C(=O)[O-])c(F)c2)CC1
C499488	N#CCCOP(=O)(Cl)Cl
C499489	CC(C)(C)OC(=O)N1CCC(OC[Sn]23CCCN(CCC2)CCC3)C1
C499490	C#CC12CC(C)(CN1)C2
C499497	NS(=O)(=O)c1cccnc1OC(F)(F)F
C499498	Cc1c(C(=O)O)nnn1-c1cccc2c1CCN(Cc1ccccc1)C2
C499500	Cc1nc2n(c(=O)c1CCOC(=O)C1CCNCC1)CCCC2
C499502	C#CC12CN(C(=O)OC(C)(C)C)C(C)(C1)C2
C499504	Fc1ccc(-c2nnc(S)[nH]2)c2ccccc12
C499505	O=C(O)c1cc([N+](=O)[O-])c(Cl)cc1Br
C499507	CN(C1CCNC1)S(=O)(=O)c1ccccc1F
C499509	O=C(N=c1ccccn1Cc1ccc(Cl)nc1)C(F)(F)F
C499510	OC12CCCCC1CCNC2
C499511	CCOC(=O)c1c(C)nc(CN)nc1C
C499513	O=C(c1cc2ccccc2s1)N1CCNCC1
C499516	C#CCN(Cc1ccccc1)C(CO)C(=O)OC
C499517	O=C1C=COCC1
C499518	CN1CC(C2CNC2)C1
C499521	COc1ccc2c(c1)CCC(C(=O)O)O2
C499522	CCCCCCCCCCCCCCCCCCCCBr
C499524	CC(C)(C)S(=O)N=Cc1ccc(Br)cc1
C499525	CC(C)(OC(=O)n1ccnc1)C(F)F
C499526	Cc1cc(CCN)cc(C)n1
C499529	CC(C)(C)OC(=O)N1c2cccnc2CC1C(=O)O
C499530	COc1ccc(C(=CB2OC(C)(C)C(C)(C)O2)c2ccncc2)cc1
C499534	COc1cc(OC)nc(CC#N)n1
C499536	NC1CC2CC1(C(=O)O)C2
C499539	COC(=O)C(C(C)=O)C1CCCCC1
C499540	CCCCCCCCCCCCCCCCN(C)C
C499541	CCOc1ccc2c(c1)C(=O)C(C)C2
C499543	Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2)nc(N)c1Br
C499544	C1CNCCN(CC2CCOCC2)C1
C499547	CSCCCN1CCN(C)C1=O
C499549	N#Cc1cc(C(=O)c2cc(F)ccc2OS(=O)(=O)F)cn(C2CC2)c1=O
C499550	CCCCCCCCC(CCC(=O)O)C(=O)O
C499552	CCOC(=O)N1CCN(c2cc(-c3nc(-c4cccc(OC)c4OC)no3)c3ccccc3n2)CC1
C499555	CC(C)(C)OC(=O)N1CCCC2(CNC(=O)CO2)C1
C499556	N#Cc1c(I)nsc1-c1ccccc1
C499557	O=C1CC2CCC1(c1cccnc1)C2
C499558	Cc1cc(C)c(-c2c3ccc(C(C)(C)C)cc3[n+](-c3ccccc3)c3cc(C(C)(C)C)ccc23)c(C)c1
C499559	Cc1cc(C(=O)O)cc2oc(=O)[nH]c12
C499560	O=C(Oc1ccc(Cl)cc1)C12CC(I)(C1)C2
C499563	C[Si](C)(C)OC(C#N)c1ccc(F)c(I)c1
C499566	CNC(=O)c1cc(C#N)cc(C)c1NC(=O)c1c(Cl)c(Br)nn1-c1ncccc1Cl
C499568	COC(=O)C1(O)CCN(C(=O)OC(C)(C)C)C1
C499569	O=C(NC(Cn1ccc2cccnc21)C(=O)O)OCC1c2ccccc2-c2ccccc21
C499574	O=C(O)C1CCc2cc(O)cc(=O)n21
C499575	Cn1c(S)nc2cc(Br)cnc21
C499577	CC(CC=O)(O[Si](C)(C)C(C)(C)C)C1CCCCC1
C499578	COC=C(Oc1cc(-c2nc(C(F)(F)F)cs2)ccc1C)C(=O)OC
C499579	COc1ccc2sc(Br)nc2c1
C499580	CN(CCCCCCO)C(=O)OC(C)(C)C
C499583	Nc1nccnc1C1CC1
C499587	C#Cc1cc(Br)cc(CBr)c1
C499589	CC(=O)Nc1ccc(N)c(F)c1
C499590	Cc1nnc(S)n1-c1ccc(Cl)cc1C(=O)c1ccccc1
C499596	O=C(O)C1CNCCC1O
C499597	CC(C)(C)OC(=O)N1CCC(NC(=O)c2cnc(Cl)cn2)CC1
C499598	O=C(O)c1c(C(=O)O)n(Cc2ccccc2)c(=O)n1Cc1ccccc1
C499600	COc1ccc2nc(CBr)sc2c1
C499601	COC(=O)c1cc(=O)c2c(F)ccc(C)c2[nH]1
C499604	Cc1cc(C(C)(C)C)cc(C)c1CC1=NCCN1C
C499606	FC(F)(F)c1cccc(Oc2nnc(Cl)cc2C2=NOCC(Cc3ccc(Br)cc3Cl)N2)c1
C499611	CCC(C)c1ccc(B(O)O)cc1
C499614	CC(C)(C)OC(=O)NCC1CCC2(CO1)CC(N)C2
C499618	CC(Cl)Oc1ccccc1
C499619	NC(=NO)c1ccc(OC(F)(F)F)cc1
C499620	FC(F)Oc1ccc(Br)c(C(F)(F)F)c1
C499621	O=C(O)c1ccc2c(c1)C(=O)NS(=O)(=O)C2
C499622	O=C(Nc1ccsn1)OCC(F)(F)F
C499624	C#Cc1ccc(CNc2ccc(C3CC3NC(=O)OC(C)(C)C)cc2)cc1
C499625	O=C(O)C1CC2CCC(C1)C21SCCS1
C499626	c1ccc2c(c1)NCC21CCNCC1
C499627	COC(=O)c1cc(C2CC2)nc2c1c(C)nn2C