smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC(CC)(C(=O)[O-])C(F)(F)F	79387463	166786017	/nfs/dbraw/zinc/78/60/17/166786017.db2.gz	IYUBQGFVCNZOSY-UHFFFAOYSA-N	-1	0	184.157	2.440	30	0		AEACRM
COc1c(F)ccc(F)c1[S-]	40571979	168224898	/nfs/dbraw/zinc/22/48/98/168224898.db2.gz	ZAWGXPPEPPJJLN-UHFFFAOYSA-N	-1	0	176.187	2.262	30	0		AEACRM
COc1c(F)cc(F)cc1[S-]	36533104	168224913	/nfs/dbraw/zinc/22/49/13/168224913.db2.gz	OTGUJVPNJNSJMN-UHFFFAOYSA-N	-1	0	176.187	2.262	30	0		AEACRM
COc1c(F)cc([S-])cc1F	36533102	168226208	/nfs/dbraw/zinc/22/62/08/168226208.db2.gz	BKKFXQYKOYCSKU-UHFFFAOYSA-N	-1	0	176.187	2.262	30	0		AEACRM
COc1cc(F)c([S-])cc1F	36533103	168236313	/nfs/dbraw/zinc/23/63/13/168236313.db2.gz	NUWWSMJPZKAPSD-UHFFFAOYSA-N	-1	0	176.187	2.262	30	0		AEACRM
Cc1cccc(F)c1[S-]	36533083	168867238	/nfs/dbraw/zinc/86/72/38/168867238.db2.gz	GMDVXNRTSGRJSL-UHFFFAOYSA-N	-1	0	142.198	2.423	30	0		AEACRM
Fc1ccc(F)c([S-])c1F	40571846	169082864	/nfs/dbraw/zinc/08/28/64/169082864.db2.gz	MLVOAQKRZBBUPB-UHFFFAOYSA-N	-1	0	164.151	2.393	30	0		AEACRM
CCc1cc(C)cc(C(=O)[O-])c1	40571426	343220276	/nfs/dbraw/zinc/22/02/76/343220276.db2.gz	HMYMBGCKYVFVIW-UHFFFAOYSA-N	-1	0	164.204	2.256	30	0		AEACRM
CC[C@@](C)(C(=O)[O-])C(F)(F)F	79387470	343586784	/nfs/dbraw/zinc/58/67/84/343586784.db2.gz	OGQSDUJEHJTRDA-YFKPBYRVSA-N	-1	0	170.130	2.050	30	0		AEACRM
CC[C@](C)(C(=O)[O-])C(F)(F)F	79387473	343587073	/nfs/dbraw/zinc/58/70/73/343587073.db2.gz	OGQSDUJEHJTRDA-RXMQYKEDSA-N	-1	0	170.130	2.050	30	0		AEACRM