Compound List

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Compound	Smiles	Mol
C499235	COc1ccc(CNS(=O)(=O)CC#N)cc1OC
C499236	Clc1nc(Br)c(CBr)s1
C499239	CC(C)[PH](C)=O
C499240	CC(C)(C)OC(=O)NCCCCCCS(=O)(=O)c1ncccn1
C499244	Cc1ccc(CNC2CCN(C)CC2)cc1
C499246	CCOC(=O)C(=O)N(C)OC
C499248	Cc1occc1C(=O)Nc1ccc(-c2ccccc2)nn1
C499250	CN1CC2CCC(CN)CC2C1
C499253	COC(=O)c1ccc(Br)c2c1CC(O)O2
C499254	CC[N+]1=C(C=CC2=C(C)C3=C(c4ccc(N(C)C)cc4)c4c(C)cc(C)n4[B-](F)(F)[N+]3=C2C)C(C)(C)c2ccccc21
C499258	O=C(Nc1cc(C(=O)O)c(F)cc1Br)OCC1c2ccccc2-c2ccccc21
C499261	N#Cc1c(-c2ccc(Oc3ccccc3)cc2)n[nH]c1N
C499262	CCOC(=O)C12CC(C1)C(=O)O2
C499267	Cc1cc(C(F)(F)F)c(F)cc1Br
C499268	Sc1ncnc2scnc12
C499269	COc1c(Br)c(Br)c(C(O)CN)c(Br)c1OC
C499270	Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(OC1(c3ccc(O)c(O)c3)Oc3cc(O)cc(O)c3C(O)C1O)C2
C499271	CC(C)(C)OC(=O)NC1CCCN(C(=O)c2cnc(Cl)cn2)C1
C499274	CN(C)Cc1cccc(NN)c1
C499275	CCOc1cc(N)c(C)cc1N
C499278	CC(C)(C)OC(=O)N1CCC(c2ccc(C(N)=O)cn2)CC1
C499280	Cc1ccc(F)cc1NC1=NCCN1
C499281	CC(C)(C)OC(=O)NC1CCOc2nc(C(=O)O)ccc21
C499285	O=C(O)c1ccc(F)c2cc[nH]c12
C499288	O=C(Nc1cn[nH]c1)N1CC(CC2CCCCC2)C1
C499289	FC12CCCC(CC1)N2CCOC(c1ccccc1)c1ccc(Cl)cc1
C499290	NC(=O)C(NC(=O)OCC1c2ccccc2-c2ccccc21)C12CCC(CC1)C2
C499291	COc1c(F)cc(Br)cc1CC(N)C(=O)O
C499293	CCC(Cc1ccc(N)cc1)c1nnn[nH]1
C499298	O=C(Nc1cc(Cl)cc(C(=O)O)c1)OCC1c2ccccc2-c2ccccc21
C499299	Cc1nc(Br)c(Br)cc1Br
C499301	O=C1NC(=O)C(c2ccccc2OCc2ccccc2)N1
C499302	Oc1ccnc2cnc(Cl)cc12
C499303	O=C(O)C1CN(C(=O)OCC2c3ccccc3-c3ccccc32)C2(CCC2)CO1
C499304	Oc1nc(O)c2ncc(Br)cc2n1
C499305	Oc1nccn2nc3c(c12)CCC3
C499306	FC1(F)CNCC2(CC2)C1
C499307	COC(=O)C12CCC(C)(C)CC1C1C(=O)C=C3C4(C)C=C(C#N)C(=O)C(C)(C)C4CCC3(C)C1(C)CC2
C499308	O=C(CCCl)c1cc(Cl)ccc1O
C499310	c1ccc([PH]2(c3ccccc3)CC[PH](c3ccccc3)(c3ccccc3)[Pd]23[PH](c2ccccc2)(c2ccccc2)CC[PH]3(c2ccccc2)c2ccccc2)cc1
C499314	N#Cc1ccc(CN=[N+]=[N-])cc1F
C499317	COc1cc(F)c(CC(=O)O)cc1F
C499318	CC(C)c1ccccc1-c1ncc2c(n1)NCCO2
C499322	COC(OC)C(=O)NN
C499325	CCCC1(C(=O)OC)CCCCN1
C499328	Cc1[nH]c2ncnc(Cl)c2c1I
C499329	CC(C)(C)OC(=O)N1CCOC(B2OC(C)(C)C(C)(C)O2)C1
C499330	O=C(NCC1CCC1)c1ccc(Cl)nn1
C499331	FC(F)=Cc1cccc2scnc12
C499332	C1NCC2CC1CS2
C499333	Nc1c(Cl)cnc(C(=O)O)c1Cl
C499341	Cc1cc(NC(=O)OCC(F)(F)F)cnc1Br
C499343	CCOC(=O)C12CCC(CI)(CC1)OC2c1ccc(C#N)cc1
C499344	C=CC(C)(C=Cc1ccc(O)cc1)CCC=C(C)C
C499345	NCCc1ccc2ccc(=O)oc2c1
C499346	NC1CCCCC1c1ccc(F)cc1
C499347	CC(C)(C)OC(=O)C1CCC(CN=[N+]=[N-])CC1
C499349	CC(N)C(=O)OC(C)C(=O)O
C499350	COc1ccc(-n2c(S)nnc2C(C)N2CCCCC2)cc1
C499351	Cc1nonc1C(=O)NN
C499353	OCCc1cccc2cccnc12
C499354	Cc1ccnc2c(F)c(F)ccc12
C499356	O=C1CCC(Cc2cccc(Br)c2)C(=O)N1
C499360	N=C(N)NCc1ccc(-c2cc[nH]n2)cc1
C499361	ON=C1CCCc2[nH]c3ccc(Cl)cc3c21
C499362	C1Cc2[nH]nc(C3CCCN3)c2C1
C499364	COC(=O)C(N)Cc1cocn1
C499373	CC(C)(C)C(C=O)c1ccccc1
C499375	O=C(O)C1CN=C(c2ccccc2)NC1
C499376	O=C(O)COCCOCCOCCOCCOCCNC(=O)OCC1c2ccccc2-c2ccccc21
C499377	CN(c1cnc(C(=O)O)c(F)c1)C1CCN(C(=O)OC(C)(C)C)C1
C499379	CCn1cc(-c2nn(-c3ccccc3F)cc2C=O)cn1
C499381	Nc1ccc(Cl)c(C2OCCO2)c1
C499384	Cc1c(CO)noc1-c1ccc(Cl)cc1
C499386	CC(C)Cn1c(-c2ccc(Cl)cc2)cnc1S
C499389	O=C(Nc1noc2ccccc12)OCC(F)(F)F
C499390	CC(C)(C)OC(=O)Nc1ccc(Cl)c(Cl)c1
C499394	COc1ccc(C(=O)O)cc1CNC(=O)OCC1c2ccccc2-c2ccccc21
C499395	NC1CC(Cn2cc(CO)nn2)C1
C499397	CC(C)(C)OC(=O)N1CC2(C(=O)O)CC1(C)C2
C499398	COCC1(C(=O)OC)CCN(Cc2ccccc2)C1
C499399	COC(=O)c1c(Br)[nH]c(Br)c1Br
C499400	Clc1cc2ccccc2cc1Br
C499402	O=C(CCCn1c(=O)c2ccccc2n(CC(=O)Nc2cccc(Cl)c2)c1=O)NCc1ccc2c(c1)OCO2
C499406	Cc1nc2ccccc2c2ncccc12
C499407	CNC(C)(C)C(=O)Nc1cc(F)cc(Cl)c1
C499410	Brc1nn(C2CC2)nc1Br
C499411	O=C(CCl)c1ccc2ncccc2c1
C499412	Nc1ccc(Br)c2cn[nH]c12
C499413	Ic1ccc(Oc2ncccn2)cc1
C499415	Cc1ccc(Br)cc1C(=O)CBr
C499418	COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1
C499422	Cc1cc(NCCO)nc(N)n1
C499428	CC(C)(C)OC(=O)N1CCN(c2ccc3oc(C(=O)O)cc(=O)c3c2)CC1
C499429	O=S1(=O)CC2CC1(CO)C2
C499431	CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)O)n2C(C)COC)c1
C499433	CNc1ccc(Cl)c(I)c1
C499435	COC(=O)C1(F)CCCCC1(F)F
C499436	CC(C)(C)n1ncc(C#N)c1Br
C499437	CC(C)(C)OC(=O)N1Cc2cnc(CCl)nc2C1