Compound List

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Compound	Smiles	Mol
C498401	COC(=O)C1(C(F)F)CC(N)C1
C498403	Cc1ccc([N+](=O)[O-])c(O)c1Br
C498405	CN1CC2COC(=O)C2C1
C498406	CC1(C=O)COCOC1
C498411	OC1COCC12CC2
C498412	CC(C)c1ccccc1-n1c(S)nnc1-c1ccc(Cl)cc1Cl
C498413	CCOS(=O)(=O)CC12CCC(CC1=O)C2(C)C
C498414	CC(NCc1cccc(O)c1)C1CC1
C498416	COc1ccc(C(F)F)c(B2OC(C)(C)C(C)(C)O2)c1
C498417	CC(C)(C)OC(=O)N1CCC1CCc1ccccc1
C498418	Cc1cccc2sc(NC(=O)Nc3nc4c(C)cccc4s3)nc12
C498419	CC(C)(C)OC(=O)N1CCC2(N)CC12
C498422	COC(=O)N1CCNC(=O)C1
C498423	CNC(=O)C1(C)CCN(C(=O)OC(C)(C)C)CC1(F)F
C498424	N#Cc1ccc(N2N=C(c3ccccc3)CC2=O)cc1
C498426	COC(=O)CC1CCc2ccc(O)cc2C1
C498427	N=C(N)Nc1nccc2c(C(=O)O)cccc12
C498434	O=C(Nc1ncc([N+](=O)[O-])s1)c1cccc(Br)c1
C498435	Cc1cscc1C(=O)Nc1cccc(C(C)C)c1
C498436	CCC(Br)CCO
C498438	CC(C)c1ccc(C(C)C)c(N(C)C)c1
C498439	CC(C)(C)OC(=O)N1CCN2C(CNS2(=O)=O)C1
C498442	CC(C)(C)c1cc(P(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc(C(C)(C)C)c1
C498444	Cc1ccc(-c2nc(CCN)co2)cc1
C498445	Clc1cc(-c2ccccc2)nc2ccccc12
C498450	Cc1nn(C)c(O)c1C=O
C498453	COc1cc(F)c(Br)cc1OC
C498454	Nc1nccn2ncc([N+](=O)[O-])c12
C498455	c1cc(-c2nc3ncncc3[nH]2)ccn1
C498460	COC(=O)Cc1ccc(C2CCNCC2)cc1
C498466	Cc1nc2cc(C(=O)O)cc(O)c2o1
C498470	Nc1cc(CC(N)C(=O)O)ccn1
C498471	Cc1oc2ccccc2c1S(N)(=O)=O
C498472	CC(C)(C)OC(=O)N1C2CCC(O)C1CCC2O
C498473	CN(C1CCCCCC1)S(C)(=O)=O
C498476	CC(C)(C)OC(=O)N1CC2(COCc3ccccc3)CC1(CO)C2
C498479	COC(=O)c1cc(CN=[N+]=[N-])ccc1F
C498480	N#Cc1cc(F)c2cn[nH]c2c1
C498481	COC(=O)C(N)c1ccc(I)c(F)c1
C498482	COC(C)c1ccccc1N
C498484	CCOC(=O)C1CC2(CC(NC(=O)OC(C)(C)C)C2)C1
C498487	COc1ccc(C(N)=NO)cc1F
C498488	O=C(O)c1coc2cc(Br)ccc12
C498489	NC(Cc1ccc(F)cc1)C(F)(F)F
C498492	Cn1cc(-c2cnc(Br)o2)cn1
C498496	Cc1ncc(-c2cnn(C)c2Cl)c2ccccc12
C498497	CCOC(=O)c1nc(CN=[N+]=[N-])cs1
C498502	NC1(C2CC2(F)F)CC1
C498505	Cc1cc(Cl)ccc1-c1nnc(CCl)o1
C498507	Cc1cc(C)cc(C2(C(=O)NC3CCC(CN)CC3)CC2)c1
C498510	Cc1cc2ncc(C(=O)Nc3ccc(S(=O)(=O)N(C)Cc4ccccc4)cc3)c(C)n2n1
C498514	CCc1cc(Br)cnc1C(=O)OC
C498518	C#CC1CCCN(C(=O)OC(C)(C)C)CC1
C498520	Cn1c(=O)c2c(Cl)nc(Cl)nc2n(C)c1=O
C498521	CCOC(=O)NN(C(=O)OCC)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
C498523	Cc1nn(-c2ccccc2)c2nc(-c3cccnc3)cc(C(=O)O)c12
C498524	CCCC[Sn](CCCC)(CCCC)c1nccc2ccccc12
C498526	CC(=O)NC(C)C(=O)N1CCCCCC1
C498528	CC(C)NCC(O)COc1cccc2[nH]c3ccccc3c12
C498530	O=C(CC(=O)c1ccccc1)Nc1ccccc1OC(F)F
C498531	CC(C)c1cc(C(=O)O)nn1-c1ncc(Cl)s1
C498533	O=C(O)C1=C(c2ccccc2F)CCCC1
C498534	CNCC(O)C1CCC1
C498535	CC1(C)C(Br)C1(F)F
C498537	CCc1ccc(C(F)(F)F)cc1C(=O)O
C498543	OCCCc1c(Cl)ncnc1Cl
C498544	COCC(COC)NCc1ccc(OC)c(SC)c1
C498552	N#Cc1ccc(Br)cc1N=[N+]=[N-]
C498554	O=C1CCCc2[nH]c3cccnc3c21
C498555	Cn1c(-c2ccc(C#N)cc2)nc(C(=O)O)c(O)c1=O
C498556	Nc1cccc([N+](=O)[O-])c1C(=O)NC12CC(C1)C(=O)NC2=O
C498560	COC(=O)C(O)Cc1ccc(O)cc1
C498561	O=C(O)CCc1ccc2n1[B-](F)(F)[N+]1=C(c3ccc[nH]3)C=CC1=C2
C498564	NC1CCOc2cc(Cl)ncc21
C498568	C=CCN(C)CCC
C498572	O=C(O)C1=NOC2CN(C(=O)OCC3c4ccccc4-c4ccccc43)CC12
C498573	CC(=O)CCC(F)(F)C(=O)[O-]
C498576	CCC(NC1CCC(O)CC1)c1ccccc1O
C498579	O=C(CNc1ccccc1C(=O)NCc1ccco1)Nc1cccc2ccccc12
C498580	NS(=O)(=O)c1c(O)cccc1F
C498581	CC(F)(C#N)C(=O)O
C498587	CCOC(=O)C(C#N)c1nc2ccccc2nc1Cl
C498594	CC(C)(C)OC(=O)N1CC2(F)CC1(C(=O)O)C2
C498596	CCOC(=O)C1=C(COCCNC(=O)c2cccc(C(=O)NCCOCC3=C(C(=O)OCC)C(c4ccccc4Cl)C(C(=O)OC)=C(C)N3)c2)NC(C)=C(C(=O)OC)C1c1ccccc1Cl
C498597	CC1(C)CN(O)C1=O
C498598	CCOC(=O)C(C(=O)OCC)c1nc(Cl)ccc1[N+](=O)[O-]
C498599	O=C([O-])C1(c2ccc(Cl)cc2)CCO1
C498601	Cn1nc(C2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc1C(=O)O
C498602	CC(=O)SC1CCC1=O
C498605	CC(=O)OCC1OC2(CI)CC1C2
C498608	C=CC(=O)N1CCCC(n2ccc(C(=O)O)n2)C1
C498609	[C-]#[N+]c1cncc(Cl)c1
C498614	COc1ccc(Br)cc1NN
C498616	O=Cc1ccc(C2=CCCCC2)s1
C498618	COc1cc2nccc(Oc3ccc(NC(=O)NC4CC4)c(Cl)c3)c2cc1C(N)=O
C498619	OC1(Cc2nc(-c3ccccc3)no2)CCCNC1
C498624	N#Cc1c(OS(=O)(=O)C(F)(F)F)nc(-c2ccccc2)c2c1CCCC2
C498626	Cc1cc(Br)c(O)c(C=O)c1
C498627	O=C1CCC(N2C(=O)c3cccc4cccc(c34)C2=O)C(=O)N1
C498629	CC1(C)OB(c2cc(C(F)(F)F)c3ncnn3c2)OC1(C)C