smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCC(=O)CCC1=C([O-])c2c(O)c([O-])c(O)cc2C(=O)C1=O	ZINC000040861866	183143749	/nfs/dbraw/zinc/14/37/49/183143749.db2.gz	XBDMOGQOBVXWTC-UHFFFAOYSA-N	-2	3	320.297	2.144	1	30		DEEFHL
CCCC(=O)CCC1=C([O-])C(=O)c2cc(O)c([O-])c(O)c2C1=O	ZINC000040861866	183143751	/nfs/dbraw/zinc/14/37/51/183143751.db2.gz	XBDMOGQOBVXWTC-UHFFFAOYSA-N	-2	3	320.297	2.144	1	30		DEEFHL
CCCCCCCSCC(P(=O)([O-])[O-])P(=O)([O-])[O-]	ZINC000095581138	185381219	/nfs/dbraw/zinc/38/12/19/185381219.db2.gz	CGPFTXXMYYSRBQ-UHFFFAOYSA-N	-4	3	320.284	2.372	1	30		DEEFHL
O=C(CC[C@@H](c1cccc2ccccc21)P(=O)([O-])[O-])NO	ZINC000072118473	191039076	/nfs/dbraw/zinc/03/90/76/191039076.db2.gz	WYYRVHTYXGOYQJ-ZDUSSCGKSA-N	-2	3	309.258	2.344	1	30		DEEFHL
COC1=C([O-])C(=O)c2c([O-])c3c(cc2C1=O)C[C@@H](C)O[C@H]3C	ZINC000014827860	560226979	/nfs/dbraw/zinc/22/69/79/560226979.db2.gz	VWHXRHUUNCIKQF-RQJHMYQMSA-N	-2	3	304.298	2.209	1	30	biogenic,in-vitro	DEEFHL
COC1=C([O-])c2cc3c(c([O-])c2C(=O)C1=O)[C@H](C)O[C@H](C)C3	ZINC000014827860	560226981	/nfs/dbraw/zinc/22/69/81/560226981.db2.gz	VWHXRHUUNCIKQF-RQJHMYQMSA-N	-2	3	304.298	2.209	1	30	biogenic,in-vitro	DEEFHL
O=C([O-])c1ccc2c(c1)NC(=C1\C(=O)Nc3ccccc31)/C2=N/[O-]	ZINC000095581909	185380993	/nfs/dbraw/zinc/38/09/93/185380993.db2.gz	CGFBWRHFCQTLBZ-WAVHTBQISA-N	-2	3	321.292	2.352	1	30		DEEFHL
O=C(CC[C@H](c1cccc2ccccc21)P(=O)([O-])[O-])NO	ZINC000072118472	191038556	/nfs/dbraw/zinc/03/85/56/191038556.db2.gz	WYYRVHTYXGOYQJ-CYBMUJFWSA-N	-2	3	309.258	2.344	1	30		DEEFHL
O=C([O-])c1ccc2c(c1)C(=N\[O-])/C(=C1/C(=O)Nc3ccccc31)N2	ZINC000095584568	185381812	/nfs/dbraw/zinc/38/18/12/185381812.db2.gz	CVIZQDCZKWMREN-WAVHTBQISA-N	-2	3	321.292	2.352	1	30		DEEFHL
CC(C)N([O-])C(=O)CC[C@H](c1ccccc1)P(=O)([O-])[O-]	ZINC000072114543	191037931	/nfs/dbraw/zinc/03/79/31/191037931.db2.gz	ULKRMQONVHFLKU-GFCCVEGCSA-N	-3	3	301.279	2.312	1	30		DEEFHL
CCCCCCCCCC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-]	ZINC000034803921	581097003	/nfs/dbraw/zinc/09/70/03/581097003.db2.gz	NSCPCMXKWUFFNL-UHFFFAOYSA-N	-4	3	318.243	2.129	1	30	in-vitro	DEEFHL