smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CC(=O)OC[C@H]1O[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](Cl)[C@@H]1OC(C)=O	77285631	PVHZACAHYMQZEZ-ITGHMWBKSA-N	366.750	0.308	50	30	FCGC	in-vitro
CCOC(=O)C(=CNNC(=O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O)C(=O)OCC	252428244	VOSGPWWQFGKLTJ-YRRQLQLVSA-N	366.370	0.140	50	30	FCGC	
COCCO[Si](CCCOC[C@@H]1CO1)(OCCOC)OCCOC	195766698	CESKYMDZTHKIPO-OAHLLOKOSA-N	368.499	0.720	50	30	FCGC	
CN(CCCl)[P@@]1(=O)OCC[C@H](OO)N1CCOS(C)(=O)=O	299846600	GYPGSAVRSZEUNH-GWNMQOMSSA-N	366.760	0.779	50	30	FCGC	
O=C(CCl)NCP(CNC(=O)CCl)CNC(=O)CCl	238790417	OJEQLMMXUXABDV-UHFFFAOYSA-N	350.570	0.406	50	30	FCGC	
COC(=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)OC(C)(C)C	138744782	WJYPVTGXUXXDBJ-LBPRGKRZSA-N	365.386	0.443	50	30	FCGC	
Br[C@H]1[C@H]2NSN[C@@H]2[C@@H](Br)[C@@H]2NSN[C@H]12	1083817615	URJGUDSCTFDIFI-SCCKRLBHSA-N	362.116	0.513	50	30	FCGC	
COc1ccc(NC(=S)NNC(=O)[C@@]2(O)CN3CCC2CC3)cc1	4347669	SVJVPCKCHUWZCZ-MRXNPFEDSA-N	350.444	0.470	50	30	FCGC	
O=C(Cn1nnc(-c2ccccc2C(F)(F)F)n1)NNC(=O)C1CC1	1044894	ADTIWPAJDZOXQB-UHFFFAOYSA-N	354.292	0.916	50	30	FCGC	
O=C(Cc1nc(-c2cnccn2)no1)NNS(=O)(=O)c1ccccc1	1040013	QUYIBYLZNWYPCD-UHFFFAOYSA-N	360.355	0.079	50	30	FCGC	
CC(=O)N1CSC[C@H]1C(=O)NNS(=O)(=O)c1ccc(Cl)cc1	1038706	MERUYHCNBGINNU-NSHDSACASA-N	363.848	0.571	50	30	FCGC	
O=C(N[C@H](CO)[C@H](O)c1ccc(S(=O)(=O)O)cc1)C(Cl)Cl	2526435	IYJLPORGYLAVMM-RKDXNWHRSA-N	358.199	0.248	50	30	FCGC	in-vitro
COc1ccc(SCCC(=O)NNS(=O)(=O)c2cn(C)cn2)cc1	4302796	IQFXXFKXLTZMAS-UHFFFAOYSA-N	370.456	0.921	50	30	FCGC	
C=C[Si](CC(=O)O)(CC(=O)O)O[Si](C=C)(CC(=O)O)CC(=O)O	198018096	BDESLAZHTITSBH-UHFFFAOYSA-N	362.439	0.683	50	30	FCGC	
CN1CCN(c2ccc3c(c2)cc(B(O)O)n3C(=O)OC(C)(C)C)CC1	201301408	OZQAFAFYPNSEQW-UHFFFAOYSA-N	359.235	0.856	50	30	FCGC	
CN(CCCl)[P@@]1(=O)OCC[C@@H](OO)N1CCOS(C)(=O)=O	60132401	GYPGSAVRSZEUNH-GSDQLPOLSA-N	366.760	0.779	50	30	FCGC	
CO[C@H]1[C@@H](n2ccc(=O)[nH]c2=O)O[C@@H](CO)[C@H]1O[Si](C)(C)C(C)(C)C	203542002	VWMFRWSCFRRALN-ASEORRQLSA-N	372.494	0.832	50	30	FCGC	
CN(CCCl)[P@]1(=O)OCC[C@@H](OO)N1CCOS(C)(=O)=O	60132398	GYPGSAVRSZEUNH-YBYGRFCBSA-N	366.760	0.779	50	30	FCGC	
COc1ccc(NC(=S)NNC(=O)[C@]2(O)CN3CCC2CC3)cc1	4347668	SVJVPCKCHUWZCZ-INIZCTEOSA-N	350.444	0.470	50	30	FCGC	
O=C(CN1CCS(=O)(=O)CC1)NN=Cc1cccc(C(F)(F)F)c1	15987523	GZRBFWSSBOFAKT-UHFFFAOYSA-N	363.361	0.886	50	30	FCGC	
CCOC(=O)C(=CNNC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2)C(=O)OCC	100254558	VOSGPWWQFGKLTJ-DJIHRAIXSA-N	366.370	0.140	50	30	FCGC	
O=C(CN1CCN(c2ccncc2)CC1)N/N=C1\C(=O)Nc2ccccc21	38174868	XFFNPQURMCBZKX-UHFFFAOYSA-N	364.409	0.676	50	30	FCGC	
CCOC(=O)C(=CNNC(=O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O)C(=O)OCC	252428243	VOSGPWWQFGKLTJ-XRRVDJEJSA-N	366.370	0.140	50	30	FCGC	
BrC1[C@H]2NSN[C@H]2C(Br)[C@@H]2NSN[C@H]12	1083817616	URJGUDSCTFDIFI-TYZMHMAFSA-N	362.116	0.513	50	30	FCGC	
NNC(=O)C(=C/N=c1\[nH]c(-c2ccc(Cl)cc2)cs1)C(=O)NN	100372112	WWNCEIXTQKBSDJ-UHFFFAOYSA-N	352.807	0.161	50	30	FCGC	
CC(C)(O)C(C)(C)OB(OC(C)(C)C(C)(C)O)c1ccc(B(O)O)s1	575349458	DLCFZWFIXZNBJN-UHFFFAOYSA-N	372.101	0.255	50	30	FCGC	
Cc1ccc(-c2nnn(CC(=O)NNS(=O)(=O)c3ccccc3)n2)cc1	1027741	SCQPEFOLKCCPJD-UHFFFAOYSA-N	372.410	0.658	50	30	FCGC	
CO[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[C@H]1n1ccc(=O)[nH]c1=O	203541993	VWMFRWSCFRRALN-FMKGYKFTSA-N	372.494	0.832	50	30	FCGC	
Cc1nc2c(Cl)cc(Cl)cc2c(=O)n1CC(=O)NNC(N)=S	6494129	KYQGAIHWYSKMKE-UHFFFAOYSA-N	360.226	0.876	50	30	FCGC	
COc1ccc(OC)c(/C=N/NC(=O)Cn2nnc(N3CCCCC3)n2)c1	1044476	CTXCRAUYDTYVIK-WOJGMQOQSA-N	373.417	0.831	50	30	FCGC	
CC(C)(C)OC(=O)N(N)c1ccc(C(=O)ON2C(=O)CCC2=O)cn1	116392882	LGXRIIPHVIAITN-UHFFFAOYSA-N	350.331	0.918	50	30	FCGC	
CCN(CCCCN)c1ccc2ccc(C(=O)NN)c(C(=O)NN)c2c1	5139552	DVCJYISTWRMEPJ-UHFFFAOYSA-N	358.446	0.612	50	30	FCGC	
CC(=O)OC[C@H]1O[C@@H](Cl)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	4533899	BYWPSIUIJNAJDV-PEBLQZBPSA-N	366.750	0.308	50	30	FCGC	
CC(=O)N1CSC[C@@H]1C(=O)NNS(=O)(=O)c1ccc(Cl)cc1	1038707	MERUYHCNBGINNU-LLVKDONJSA-N	363.848	0.571	50	30	FCGC	
Br[C@@H]1[C@H]2NSN[C@H]2[C@H](Br)[C@H]2NSN[C@H]21	1083817617	URJGUDSCTFDIFI-XBQGMCBBSA-N	362.116	0.513	50	30	FCGC	
CCOC(=O)C(=CNNC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2)C(=O)OCC	100254561	VOSGPWWQFGKLTJ-UKJIMTQDSA-N	366.370	0.140	50	30	FCGC	
Br[C@H]1[C@@H]2NSN[C@@H]2[C@@H](Br)[C@@H]2NSN[C@@H]12	1083817614	URJGUDSCTFDIFI-ACEPYNLWSA-N	362.116	0.513	50	30	FCGC	
C[N+](C)(C)CCOCCOCCOC(=O)CI	224540032	XDKACVOJCYGCOG-UHFFFAOYSA-N	360.212	0.704	50	30	FCGC	
CC(=O)OC[C@H]1OC(C#N)=C(OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	4336550	BIQBNECJLXVDNJ-VHDGCEQUSA-N	355.299	0.110	50	30	FCGC	in-vitro
CN(CCCl)[P@]1(=O)OCC[C@H](OO)N1CCOS(C)(=O)=O	299846602	GYPGSAVRSZEUNH-LXGOIASLSA-N	366.760	0.779	50	30	FCGC	
CS(=O)(=O)NNC(=O)Cn1nnc(-c2cccc(Cl)c2Cl)n1	1044953	GOKDPEHQEQFXBW-UHFFFAOYSA-N	365.202	0.227	50	30	FCGC	
CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](Br)O[C@@H]1C	2525823	XUZQAPSYNYIKSR-UOORRKKPSA-N	353.165	0.921	50	30	FCGC	
CCOC(=O)C(=CNNC(=O)CCc1ccc(O)cc1)C(=O)OCC	2160986	CTFQMVYXVCXPFG-UHFFFAOYSA-N	350.371	0.956	50	30	FCGC	
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](Cl)[C@@H]1OC(C)=O	44699237	PVHZACAHYMQZEZ-XVIXHAIJSA-N	366.750	0.308	50	30	FCGC	in-vitro
COCCO[Si](CCCOC[C@H]1CO1)(OCCOC)OCCOC	195766699	CESKYMDZTHKIPO-HNNXBMFYSA-N	368.499	0.720	50	30	FCGC