smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
COCCN1C(=O)NC(=O)C(=Cc2ccc(Br)cc2)C1=O	2265271954	OVDJUOHVBGJAJZ-UHFFFAOYSA-N	353.172	1.557	10	30	FDCC	
O=C(NC1(O)C(=O)c2ccccc2C1=O)c1ccc(-c2csnn2)cc1	1029977	NAXPHHUOLBZHND-UHFFFAOYSA-N	365.370	1.703	10	30	FDCC	
Cc1ccc(S(=O)(=O)[C@@H](O)COCCOCCOCCN=[N+]=[N-])cc1	96327326	SAKFPWKIQUGBAZ-OAHLLOKOSA-N	373.431	1.447	10	30	FDCC	
COc1cc(CCNC[C@H](O)c2ccc(O)c(O)c2)cc(OC)c1OC	1552485	BZIHGMVSUSMJCD-INIZCTEOSA-N	363.410	1.989	10	30	FDCC	
CC1=NN(c2ccccc2)C(=O)[C@H]1/N=N/c1cc(S(N)(=O)=O)ccc1O	100244709	NHWBSZWMFRVBEV-MJWGMMHASA-N	373.394	1.915	10	30	FDCC	
O=S(=O)(Nc1ccccc1N1CCOCC1)c1cccc2nonc12	1033560	WEWLSDXDFARTRO-UHFFFAOYSA-N	360.395	1.860	10	30	FDCC	
CN1CCN(c2ccc(NS(=O)(=O)c3cccc4nonc34)cc2)CC1	4297048	GMHXFRWTHBKUTI-UHFFFAOYSA-N	373.438	1.775	10	30	FDCC	
N[C@H](Cc1ccc(CC(=O)C(=O)C(Cl)(Cl)Cl)cc1)C(=O)O	607717026	PGLDLOXTEJGQGQ-SECBINFHSA-N	352.601	1.692	10	30	FDCC	
CCN1CCC/C1=C/C=C1/SC(=S)N(CCS(=O)(=O)O)C1=O	5853446	GFJGCPCAQBIUMB-JZKFVHIFSA-N	362.498	1.618	10	30	FDCC	
COc1ccc(C=C2SC(=S)N(N3C(=O)CCC3=O)C2=O)cc1O	2265276503	OMHKJDAJDHXPNV-UHFFFAOYSA-N	364.404	1.666	10	30	FDCC	
Nc1ccc(/N=N/c2cc(S(=O)(=O)O)cc(C(=O)O)c2O)c(N)c1	111905104	NIBIQWLKEOSZCH-WUKNDPDISA-N	352.328	1.917	10	30	FDCC	
COc1cc(CCNC[C@@H](O)c2ccc(O)c(O)c2)cc(OC)c1OC	5998991	BZIHGMVSUSMJCD-MRXNPFEDSA-N	363.410	1.989	10	30	FDCC	
O=C1NC(=O)C(/N=N/c2cccc3c2C(=O)c2ccccc2C3=O)C(=O)N1	100058430	MBOXEZSDSMZDMX-QURGRASLSA-N	362.301	1.280	10	30	FDCC	
CN1CCN(c2ccc(CNS(=O)(=O)c3ccsc3)cc2)CC1	4362654	NCYNZHPTHGTGMS-UHFFFAOYSA-N	351.497	1.978	10	30	FDCC	
CC1=NN(c2ccccc2)C(=O)[C@@H]1/N=N/c1cc(S(N)(=O)=O)ccc1O	100244703	NHWBSZWMFRVBEV-AMGRQBIBSA-N	373.394	1.915	10	30	FDCC	
CCC(=O)Nc1cc(S(=O)(=O)O)c(N)c2c1C(=O)c1ccccc1C2=O	33637844	QKKZDNOTZDWFKR-UHFFFAOYSA-N	374.374	1.639	10	30	FDCC	
CC(=O)N(C(C)=O)N1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S	2265272003	ADGBFIPVJBPVOM-UHFFFAOYSA-N	364.404	1.927	10	30	FDCC	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@H](Cc1ccc(O)c(O)c1)C(=O)O	13553523	GPZFXSWMDFBRGS-MJRJWQSSSA-N	359.334	1.334	10	30	FDCC	endogenous,in-man