smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1C=CC(C)(CC(=O)[O-])C=C1	69482433	560078348	/nfs/dbraw/zinc/07/83/48/560078348.db2.gz	AGLIYSRVXJXBPD-UHFFFAOYSA-N	-1	0	166.220	2.230	1	0	biogenic,in-vitro	AEAFRM
CC(=O)[C@@H](CC(=O)[O-])CC(C)(C)C	26964733	166299400	/nfs/dbraw/zinc/29/94/00/166299400.db2.gz	ZYZCRFLNOUQASU-QMMMGPOBSA-N	-1	0	186.251	2.103	1	0		AEAFRM
CC(=O)[C@H](CC(=O)[O-])CC(C)(C)C	26964746	166307653	/nfs/dbraw/zinc/30/76/53/166307653.db2.gz	ZYZCRFLNOUQASU-MRVPVSSYSA-N	-1	0	186.251	2.103	1	0		AEAFRM
CC(=O)c1coc2c([O-])cc(O)cc12	95592516	166331806	/nfs/dbraw/zinc/33/18/06/166331806.db2.gz	QCWZHYPAEJVXCJ-UHFFFAOYSA-N	-1	0	192.170	2.047	1	0		AEAFRM
CCCCN(CC)C(=S)[S-]	5973400	166887065	/nfs/dbraw/zinc/88/70/65/166887065.db2.gz	WNFPFXIAVMZVSR-UHFFFAOYSA-N	-1	0	177.338	2.323	1	0		AEAFRM
CCc1c([O-])oc2nnc(C)c-2c1C	100641546	167720711	/nfs/dbraw/zinc/72/07/11/167720711.db2.gz	DLCPLJZZQRKYBF-UHFFFAOYSA-N	-1	0	192.218	2.059	1	0		AEAFRM
O=C([O-])[C@@H]1C=CC(C(F)(F)F)=CC1	26261263	169346367	/nfs/dbraw/zinc/34/63/67/169346367.db2.gz	DOHMWHZJQPFIJP-RXMQYKEDSA-N	-1	0	192.136	2.136	1	0		AEAFRM
O=C([O-])[C@H]1C=CC(C(F)(F)F)=CC1	26261257	169351873	/nfs/dbraw/zinc/35/18/73/169351873.db2.gz	DOHMWHZJQPFIJP-YFKPBYRVSA-N	-1	0	192.136	2.136	1	0		AEAFRM