Compound List

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Compound	Smiles	Mol
C501414	CC(C)(C)OC(=O)NCc1noc2cc(N)ccc12
C501422	CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccccc3O)nnc2N)CC1
C501424	N#CCC(=O)c1ccccc1Oc1ccc(F)cc1
C501427	CC(NC1CC1)C1CCCCC1
C501428	CSCCC(N)C(=O)OC(C)(C)C
C501432	CC(C)(C)OC(=O)N1CC(F)(C#CBr)C1
C501433	C#CCNS(=O)(=O)c1cccc(Br)c1
C501435	Cc1sc2c(Br)cccc2c1Cl
C501440	COC(=O)CCCc1ccc(I)cc1
C501443	Oc1cc(F)c(Cl)c(Cl)c1
C501447	C=CCCC1CC1
C501449	O=C1CCCc2c(F)ccc(F)c21
C501452	NC(=O)CS(=O)(=O)CC(=O)O
C501453	Cc1nc2ccc(-n3cc(CO)nn3)cc2s1
C501454	ON=Cc1cnns1
C501456	CCC1NC(=O)c2ccccc21
C501458	COc1ccc(Br)c(C(N)C(=O)O)c1
C501461	O=C(O)CCCN1CCOCC1
C501462	Cc1ccc(S)c(F)c1
C501463	NCC(NC(=O)C1Cc2ccccc2CO1)c1ccc2ccccc2c1
C501464	COc1nsc(C(=O)O)c1Cl
C501465	CC(N)CSc1cccc(C(=O)O)c1
C501466	CC(C)(C)OC(=O)Nc1ccc(F)cc1CC(=O)O
C501469	Nc1nc(Nc2ccccc2)ns1
C501472	CC(C)(C)OC(=O)C12CCC(CO)(CC1)CC2
C501473	C=C1CCC(c2ccccc2)CC1
C501479	O=C(O)c1cc2ccncc2o1
C501480	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)NCC(=O)O)c1nnc(C)n1-2
C501482	O=c1[nH]c2nc(Cl)ncc2o1
C501483	Nc1cnc2cc(C(F)(F)F)ccc2c1
C501484	O=C(O)C1CC1S(=O)(=O)c1ccccc1
C501485	CC1(CBr)CC=CCO1
C501491	CCn1nc(C)c(C=O)c1F
C501495	Cc1cncc(C(=O)NN)c1
C501496	CC(=O)c1cc(Cl)c(C)cn1
C501499	NCC1(c2ccccc2)CCN(C(=O)Cc2cnn3c2CCCC3)CC1
C501500	Cc1cnc(CC(=O)[O-])cn1
C501501	O=C(O)CC#Cc1nc(Cl)sc1Cl
C501503	Cc1cc(S)cc(C#N)c1
C501504	CC(C)(C)OC(=O)NC(C(=O)O)c1ccc(Br)c(Cl)c1
C501505	CC(C)(C)OC(=O)N1CC2(CCSCC2)CC1C(=O)O
C501506	CC(C)(C)c1ccc(-n2ncc3c2CCCC3=O)cc1
C501507	Sc1cccc2cccc(S)c12
C501508	COC(=O)Cc1nc2cc(Br)cnc2[nH]1
C501512	Cn1cc(C(=O)CC(=O)C(F)(F)F)cn1
C501515	O=C(O)C(O)C1CNC1
C501517	COc1cc(OC)c2c(c1)C(=O)N(Cc1cccc(-c3ccccc3)c1C)C2
C501518	NCCCOc1ccccc1Cl
C501521	NC(CCC(=O)NC(CSS(=O)(=O)[O-])C(=O)NCC(=O)O)C(=O)O
C501524	N#Cc1cc(I)cc(Br)c1N
C501526	Cc1nn(C(=O)OC(C)(C)C)c2ccc(Br)cc12
C501529	NC(N)=NCCCc1ccccc1Br
C501530	Cc1nn(CC(C)C)cc1B1OC(C)(C)C(C)(C)O1
C501531	C#Cc1cc(C2CC2)nn1CC(=O)O
C501532	Cc1ccc(CCCN)s1
C501533	Fc1ccc(-c2cnc(C3CCCN3)o2)cc1
C501534	C=C1CC(c2ccccc2)C1
C501536	CCC(CN)C1CC1
C501537	CC(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)O
C501538	O=CC1CCCC(c2ccccc2)C1
C501539	Cc1ccc2c(c1)CN1CN2Cc2cc(C)ccc21
C501546	CCOC(=O)C(=O)C(C)(C)Br
C501547	Cc1ccc(CCn2nccc2C(N)=O)cc1
C501549	CC(N)c1ccc(N2CCN(C)CC2)c(F)c1
C501550	CCOC(=O)c1cc(-c2ccc(F)cn2)on1
C501551	Brc1cnc2ccc(Br)nc2c1
C501553	OB(O)c1ccc(F)cc1OCCc1ccccc1
C501555	COc1cc(Br)cc(Br)c1C=O
C501556	NCCc1c[nH]c(=O)o1
C501557	ClCc1nc2ccc(Br)cc2s1
C501558	O=C(O)COc1ccc(OS(=O)(=O)F)cc1
C501559	CCCC(NC(=O)c1ccc(-c2n[nH]c(=O)[nH]2)cc1)C(=O)NC
C501560	COc1cc(C)c(CN)c(C)c1
C501563	O=C(Cc1ccc(NC(=O)c2ccnc(Cl)c2)cc1)NCc1ccccc1
C501564	NC1CCCC2C(F)C12
C501567	CNC(=O)c1nc2ccccc2c(=O)[nH]1
C501568	Cc1ncc(N)cc1F
C501570	CCOC(=O)c1cc2cc(Cl)ncc2s1
C501571	CC(C)(C)OC(=O)Nc1nc(I)co1
C501572	COC(=O)c1cc(OS(=O)(=O)F)cc(C(=O)OC)c1
C501573	FC1CC(CBr)(C(F)(F)F)C1
C501574	CCOC(=O)c1cn2ccc(CO)cc2n1
C501576	CS(=O)(=O)c1nc(Cl)cc(Nc2ccccc2)n1
C501578	CCCCC=CCCC(C)CC
C501579	Cc1nc2c(Br)cccc2c(=O)n1C1CCC(=O)NC1=O
C501581	CC(=O)N(Cc1noc(C)n1)C1CCNC1
C501582	COc1cc[n+]([O-])cc1
C501584	O=C(O)C1CC1C1CCCOC1
C501585	Fc1cncc(N2CCCNCC2)c1
C501586	CC(C)(CN)c1cc(F)cc(F)c1
C501590	O=S(=O)(Cl)NCC1CC1
C501591	CCc1ccc(COc2ccc(-n3c(=O)cc(C(F)(F)F)n(C)c3=O)cc2)c(OC(C)C(=O)OC)c1
C501594	ClCCCc1c(Cl)ncnc1Cl
C501596	Cc1cccc2c1OC(C)(C)CC2=O
C501597	O=C(O)Cn1c2ccccc2c2ccccc21
C501598	CC(=O)NNc1nc2c(s1)CCCC2
C501599	O=C(O)Cn1cc(-c2nn[nH]n2)c2ccccc21
C501600	CC(C)C(=O)NC(Cc1ccccc1)C(=O)O
C501601	O=C(O)CCOCCOCCOCCNC(=O)OCC1c2ccccc2-c2ccccc21
C501602	Cc1c(-c2ccc(N)nc2)cc2cn[nH]c2c1Br