Compound List

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Compound	Smiles	Mol
C498207	NC(=O)NCC1CCCCC1(F)F
C498208	c1ccc2c3c([nH]c2c1)CCN(c1ccc2oc(N4CCOCC4)nc2c1)C3
C498210	CC(C)(c1ccccc1[N+](=O)[O-])C(N)C(=O)O
C498211	CC(C)(CCF)NC(=O)c1ccccc1
C498212	COC(=O)c1cn2ccccc2c1Br
C498213	CN(C)S(=O)(=O)N1CCOC(C(=O)O)C1
C498214	O=C(O)CN1C(=O)NC2(CCOc3ccccc32)C1=O
C498215	C=C(C)CC(N)c1ccc(OC(C)C)cc1
C498216	OCC1OC2OC3C(CO)OC(OC4C(CO)OC(OC5C(CO)OC(OC6C(CO)OC(OC7C(CO)OC(OC8C(CO)OC(OC9C(CO)OC(OC1C(O)C2O)C(O)C9O)C(O)C8O)C(O)C7O)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C3O
C498217	O=C(NC1CC2(CC(F)C2)C1)c1ccccc1
C498220	CCOC(=O)c1cccc(OC(C)(C)C)c1Cl
C498221	COc1cc(OC)c(C(F)F)cc1Br
C498226	Cc1csc2nc(Cl)c(C(=O)O)n12
C498230	CN(C)C(=S)Oc1cccc2c1CCCC2
C498231	OCc1nccc2ccccc12
C498233	NC1(CO)CCC(F)(F)C1
C498236	COC(=O)c1cc(C#N)ccc1C#N
C498237	C=C(CO)c1ccc(F)cc1
C498240	Cc1cc(F)cc(C)c1S
C498241	CN(Cc1c[nH]c(-c2ccccc2F)c1)N=O
C498242	O=C(O)c1ccc(CCCBr)cn1
C498243	Cc1ccc(F)c(Cl)c1
C498244	C=CC(C)C(C)CCCCCC
C498246	COc1ccc2c(C)cc(=S)oc2c1
C498247	NNC(=O)c1ccc(N)c(Cl)c1
C498251	COc1cccc(CNc2ccc([N+](=O)[O-])cc2C)c1OC
C498252	[15NH4+]
C498254	CC(C)(C)OC(=O)NCC1CNc2ccccc2O1
C498255	Fc1ccc2[nH]c3c(c2c1)CN(c1ccc2oc(N4CCOCC4)nc2c1)CC3
C498256	COC(=O)C1CNCC1c1ccccc1C
C498257	Cc1c(OC2CCN(C)CC2)ccc2cc(NC(=O)Nc3ccccc3C(C)C)c(=O)oc12
C498258	COc1ccc(S)c2ccccc12
C498262	CC(CCCCN)NC(=O)OC(C)(C)C
C498264	Nc1ccnc2c1CNC2
C498266	CC1(C)CCC(=O)C(O)C1
C498268	CC(=O)c1c(N)cccc1F
C498269	CC(C)(C)OC(=O)c1cc(I)cc(Br)c1Cl
C498271	COC(=O)c1cc(CCl)cc2c1OCC2
C498272	CNC(C)Cc1ccc2oncc2c1
C498273	O=C(O)c1cc2ccc([N+](=O)[O-])cc2[nH]1
C498275	Cc1ccc(Br)c(C)c1CO
C498277	c1c[nH]c(-c2cccs2)c1
C498279	O=C(Cl)CC=CCl
C498283	COC(=O)c1cc(-n2c(C)ccc2C)ccc1Cl
C498284	Cc1cc(NC(=O)C2CCCC2)sc1C(=O)O
C498285	Cn1ccc(C2CN(C(=O)OC(C)(C)C)C2)n1
C498286	CCOC(=O)C(=Cc1ccc(C(=O)OC)cc1)C1=Nn2c(nnc2-c2ccc(OC)cc2)SC1
C498288	COc1cccc(-c2csc(Nc3cccc(C(N)=O)c3)n2)c1
C498290	Cc1nc2ncc(C(=O)O)cn2n1
C498291	CC1CCN(C(=O)C(=O)NCc2ccc(CN)cc2F)CC1
C498293	O=C(CCBr)Nc1ccccc1
C498294	NCc1ccc2conc2c1
C498295	CC(C)(C)OC(=O)N1CCc2ncnc(C(=O)O)c2C1
C498296	O=C(Nc1ccc(F)cc1)Nc1ccc(F)cc1
C498299	N#CC1(CS(=O)(=O)F)CCCNC1
C498302	COC(c1ccc(C(=O)O)cc1)(C(F)(F)F)C(F)(F)F
C498303	Cc1nc(COCC(=O)O)cs1
C498305	CN(c1cnc(C(=O)[O-])c(F)c1)C1CCCN(C(=O)OC(C)(C)C)C1
C498306	C=CC1CC1B1OC(C)(C)C(C)(C)O1
C498308	O=Cc1cncc(-c2noc(C3CCC3)n2)c1
C498311	Cc1cc(C(=O)O)ccc1CO
C498312	O=C(NC1CNCCC1(F)F)OCc1ccccc1
C498313	CC(C)C1CCCN(CC(=O)NCC(F)(F)F)C1
C498315	COC(=O)c1cc(Cl)cc2cc(CO)oc12
C498316	FC(F)(F)c1ccc(Br)c2ncccc12
C498324	CC(C)(C)OC(=O)c1ccnc2ccc(F)cc12
C498325	NC(=O)c1nc(Br)ccc1Cl
C498326	O=C(CCCCOc1ccc2ccccc2c1)NO
C498333	Cc1nc(-c2cccc(C(=O)O)n2)c(C)n1C
C498334	Clc1ccnc(-c2cccc(Oc3ccccc3)c2)n1
C498335	CC(C)(C)OC(=O)N1CC2CCC(CBr)(C1)O2
C498337	Cc1ccc(S(=O)(=O)Nc2cccc3c(C4CC4)c[nH]c23)cc1C(N)=O
C498338	C1CC2CCCC(C1)B2B1C2CCCC1CCC2
C498342	O=C(COc1cccnc1)N1CCN(Cc2ccc(-c3cccc(F)c3)s2)CC1
C498346	COc1cc2c(cc1Br)C(=O)NC2
C498350	[C-]#[N+]C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
C498353	CCOC(=O)c1cn(C)cn1
C498356	CC1CNCCC(=O)N1C
C498357	Nc1ccc([N+](=O)[O-])c(Br)n1
C498360	CNCC1CCN(Cc2ccccc2)CC1
C498363	Clc1nccn1-c1ccccc1
C498366	Cc1cc(-c2noc(-c3ccc4c(c3)CNC4)n2)ccc1O
C498368	C=C1CC(CN)(C(F)F)C1
C498372	[N-]=[N+]=Nc1ccc(N2CCC(=O)NC2=O)cc1
C498373	FC(F)(F)C12CCCC(CN1)C2
C498379	NS(=O)(=O)c1ccc2ccc(Br)cc2c1
C498380	CC(C)(C)OP(=O)(OCCl)OC(C)(C)C
C498381	O=C(NC1(C(=O)O)COC(C(F)(F)F)C1)OCC1c2ccccc2-c2ccccc21
C498384	Nc1ccc(C(=O)N2CC(O)C2)c(Cl)c1
C498385	[N-]=[N+]=Nc1ccc(OCCOCCO)cc1
C498388	OCCCc1cc(Cl)cc(Cl)c1
C498390	O=C(NCC1(C(=O)NCC2(C(=O)O)CC2)CC1)OCc1ccccc1
C498391	CNC(Cc1cccc(C(F)(F)F)c1)C(=O)O
C498392	O=C(O)C(O)CC1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1
C498393	CC(C)(C)OC(=O)N1CC(O)CCC12CC2
C498395	Nc1cc(C(=O)O)cc(-c2nc[nH]n2)c1
C498397	CC(C)(C)OC(=O)NCCc1nc2ccccc2n1Cc1ccc(C(=O)O)cn1
C498398	CCN(CC)Cc1c(O)c(C(=O)O)nn1-c1ccccc1
C498399	Nc1cnc2c(F)cc(Br)cc2n1
C498400	NCc1ccc(OCCCc2sc(-c3ccc4c(c3)C(=NNc3nc5ccccc5s3)CCC4)nc2C(=O)O)cc1