smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1=C[C@@H]2N(C=CC23OCCO3)[C@H](O)[C@@H]1C#N	ZINC000205481904	388585159	/nfs/dbraw/zinc/58/51/59/388585159.db2.gz	NKYGUHNNWMNHOM-OUAUKWLOSA-N	0	2	234.255	0.345	2	30		BCEFLN
N#Cc1cc(-c2ccncc2)c(CO)[nH]c1=O	ZINC000026716072	181081724	/nfs/dbraw/zinc/08/17/24/181081724.db2.gz	JMDVFNJHUBQULS-UHFFFAOYSA-N	0	2	227.223	0.801	1	30		BCEFLN
C[C@@H](C(C)(O)O)[C@]1(C=O)C=CC=C([N+](=O)[O-])C1	ZINC000205467587	388585181	/nfs/dbraw/zinc/58/51/81/388585181.db2.gz	GTZMLJCVINODIM-GZMMTYOYSA-N	0	2	241.243	0.629	2	30		BCEFLN
C1#C[C@@H]2O[C@@]23C=CC=C3C#C/C([C@H]2CO2)=C\1	ZINC000000967828	560180063	/nfs/dbraw/zinc/18/00/63/560180063.db2.gz	UHODKFMUYXVQJH-QMUKUJKVSA-N	0	2	208.216	0.966	1	30	in-vitro	BCEFLN
CC(Nc1ccccc1)=C1C(=O)NC(=O)NC1=O	ZINC000103235843	188150757	/nfs/dbraw/zinc/15/07/57/188150757.db2.gz	GVKSLYOTNCFYIR-NTUHNPAUSA-N	0	2	245.238	0.761	1	30		BCEFLN
C[C@@H](C(C)(O)O)[C@@]1(C=O)C=CC=C([N+](=O)[O-])C1	ZINC000205467553	388585178	/nfs/dbraw/zinc/58/51/78/388585178.db2.gz	GTZMLJCVINODIM-KWQFWETISA-N	0	2	241.243	0.629	2	30		BCEFLN
NC(N=O)NN=Cc1cc([N+](=O)[O-])ccc1O	ZINC000049771509	181199699	/nfs/dbraw/zinc/19/96/99/181199699.db2.gz	DJPJNMSLVDDYOK-ONNFQVAWSA-N	0	2	239.191	0.137	1	30		BCEFLN