smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C[C@@H](O)[C@H](O)[C@H](O)C(O)C(=O)[O-]	69488961	574416567	/nfs/dbraw/zinc/41/65/67/574416567.db2.gz	AVVCVPQEUQSDMP-UZBSEBFBSA-N	-1	0	194.139	-1.889	1	30	endogenous,in-vitro	AAEFRM
O=C[C@H](O)[C@@H](O)[C@@H](O)C(O)C(=O)[O-]	69488955	574416551	/nfs/dbraw/zinc/41/65/51/574416551.db2.gz	AVVCVPQEUQSDMP-PZGQECOJSA-N	-1	0	194.139	-1.889	1	30	endogenous,in-vitro	AAEFRM
O=C[C@@H](O)[C@H](O)[C@@H](O)C(O)C(=O)[O-]	69488952	574416553	/nfs/dbraw/zinc/41/65/53/574416553.db2.gz	AVVCVPQEUQSDMP-FLRLBIABSA-N	-1	0	194.139	-1.889	1	30	endogenous,in-vitro	AAEFRM
O=C[C@@H](O)[C@@H](O)[C@H](O)C(O)C(=O)[O-]	100389712	574418495	/nfs/dbraw/zinc/41/84/95/574418495.db2.gz	AVVCVPQEUQSDMP-JJYYJPOSSA-N	-1	0	194.139	-1.889	1	30	endogenous,in-vitro	AAEFRM
O=C[C@H](O)[C@@H](O)[C@H](O)C(O)C(=O)[O-]	100389710	574418497	/nfs/dbraw/zinc/41/84/97/574418497.db2.gz	AVVCVPQEUQSDMP-NUNKFHFFSA-N	-1	0	194.139	-1.889	1	30	endogenous,in-vitro	AAEFRM
O=C[C@@H](O)[C@@H](O)[C@@H](O)C(O)C(=O)[O-]	100389703	574418499	/nfs/dbraw/zinc/41/84/99/574418499.db2.gz	AVVCVPQEUQSDMP-BXXZVTAOSA-N	-1	0	194.139	-1.889	1	30	endogenous,in-vitro	AAEFRM
O=C[C@H](O)[C@H](O)[C@@H](O)C(O)C(=O)[O-]	100389697	574418500	/nfs/dbraw/zinc/41/85/00/574418500.db2.gz	AVVCVPQEUQSDMP-YVZJFKFKSA-N	-1	0	194.139	-1.889	1	30	endogenous,in-vitro	AAEFRM
O=C[C@H](O)[C@H](O)[C@H](O)C(O)C(=O)[O-]	100389705	574418502	/nfs/dbraw/zinc/41/85/02/574418502.db2.gz	AVVCVPQEUQSDMP-HZLVTQRSSA-N	-1	0	194.139	-1.889	1	30	endogenous,in-vitro	AAEFRM
CN1C(=O)N=C([O-])[C@H](C=O)C1=O	103235063	167895593	/nfs/dbraw/zinc/89/55/93/167895593.db2.gz	SOWFYVCOZPSTFM-VKHMYHEASA-N	-1	0	170.124	-1.490	1	30		AAEFRM
COC1=C([O-])N(C)C(=O)C(=O)C1=O	14488350	168144819	/nfs/dbraw/zinc/14/48/19/168144819.db2.gz	ZWAKJHGDSDLYGM-UHFFFAOYSA-N	-1	0	185.135	-1.030	1	30		AAEFRM
N/C(=N\O)N/N=C\OS(=O)(=O)[O-]	40465005	169133149	/nfs/dbraw/zinc/13/31/49/169133149.db2.gz	HADHZJGGNKXUCP-RJRFIUFISA-N	-1	0	198.160	-1.957	1	30		AAEFRM
O=C(CNC[P@@](=O)([O-])O)NO	13644042	169320774	/nfs/dbraw/zinc/32/07/74/169320774.db2.gz	DSADRDIOOIRTOU-UHFFFAOYSA-N	-1	0	184.088	-1.783	1	30		AAEFRM
O=C(COC[P@@](=O)([O-])O)NO	29057302	169321933	/nfs/dbraw/zinc/32/19/33/169321933.db2.gz	GEKHOMJHDHFAMX-UHFFFAOYSA-N	-1	0	185.072	-1.356	1	30		AAEFRM
O=C([O-])[C@@H](O)[C@H](O)[C@H](O)C(=O)NO	6416219	169345744	/nfs/dbraw/zinc/34/57/44/169345744.db2.gz	DMGBHBFPSRKPBV-LAMMAJBHSA-N	-1	0	195.127	-3.341	1	30	in-vitro	AAEFRM
[O-]/N=C/c1no[n+]([O-])c1CO	40747225	171081588	/nfs/dbraw/zinc/08/15/88/171081588.db2.gz	SEFGTOTWWFNVOT-ORCRQEGFSA-N	-1	0	159.101	-1.392	1	30		AAEFRM
[O-]/N=C/c1c(CO)no[n+]1[O-]	40834669	171082012	/nfs/dbraw/zinc/08/20/12/171082012.db2.gz	JTIMGDLCBGUPDR-ORCRQEGFSA-N	-1	0	159.101	-1.392	1	30		AAEFRM
CN1C(=O)N=C([O-])[C@@H](C=O)C1=O	103235061	573926806	/nfs/dbraw/zinc/92/68/06/573926806.db2.gz	SOWFYVCOZPSTFM-GSVOUGTGSA-N	-1	0	170.124	-1.490	1	30		AAEFRM
O=C[C@H](O)CC(=O)C(=O)[O-]	13542639	560219216	/nfs/dbraw/zinc/21/92/16/560219216.db2.gz	QZKCWTOLHHFWCD-GSVOUGTGSA-N	-1	0	146.098	-1.410	1	30	in-vitro	AAEFRM