smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[C@@H](Oc1ccc(C=C2SC(=S)[N-]C2=O)cc1)C(=O)[O-]	ZINC000016905207	182064003	/nfs/dbraw/zinc/06/40/03/182064003.db2.gz	CWEREVRCCSDPJS-UEUZTHOGSA-N	-2	1	323.395	3.258	10	0		DGAEML
CC[C@@H](Oc1cccc(C=C2SC(=S)[N-]C2=O)c1)C(=O)[O-]	ZINC000016905234	182064273	/nfs/dbraw/zinc/06/42/73/182064273.db2.gz	FCKYRPJXVFIYEG-UEUZTHOGSA-N	-2	1	323.395	3.258	10	0		DGAEML
CC[C@H](Oc1cccc(C=C2SC(=S)[N-]C2=O)c1)C(=O)[O-]	ZINC000016905236	182064706	/nfs/dbraw/zinc/06/47/06/182064706.db2.gz	FCKYRPJXVFIYEG-VUBLIPMDSA-N	-2	1	323.395	3.258	10	0		DGAEML
Cc1nc(-c2cc(Br)ccc2[O-])sc1C(=O)[O-]	ZINC000011887885	431483286	/nfs/dbraw/zinc/48/32/86/431483286.db2.gz	PHLQIRYDQYXCOF-UHFFFAOYSA-N	-2	1	314.160	3.285	10	0		DGAEML
CC[C@H](Oc1ccc(C=C2SC(=S)[N-]C2=O)cc1)C(=O)[O-]	ZINC000016905209	182063944	/nfs/dbraw/zinc/06/39/44/182063944.db2.gz	CWEREVRCCSDPJS-VUBLIPMDSA-N	-2	1	323.395	3.258	10	0		DGAEML
CC[C@H](Oc1ccccc1C=C1SC(=S)[N-]C1=O)C(=O)[O-]	ZINC000016905284	182064407	/nfs/dbraw/zinc/06/44/07/182064407.db2.gz	MLTOAKNLMHTNJS-FKVCUQLRSA-N	-2	1	323.395	3.258	10	0		DGAEML
O=C([O-])COc1ccc(C(=O)c2ccc([O-])cc2)c2ccccc12	ZINC000039317440	400398223	/nfs/dbraw/zinc/39/82/23/400398223.db2.gz	RVPUINGJFALHCK-UHFFFAOYSA-N	-2	1	322.316	3.240	10	0		DGAEML
CSc1cc([O-])c2oc3ccc(C(=O)[O-])cc3c(=O)c2c1	ZINC000139015296	400603483	/nfs/dbraw/zinc/60/34/83/400603483.db2.gz	NAYPCPVJVAELFL-UHFFFAOYSA-N	-2	1	302.307	3.072	10	0		DGAEML
CC[C@@H](Oc1ccccc1C=C1SC(=S)[N-]C1=O)C(=O)[O-]	ZINC000016905282	182064489	/nfs/dbraw/zinc/06/44/89/182064489.db2.gz	MLTOAKNLMHTNJS-MXFUOJGSSA-N	-2	1	323.395	3.258	10	0		DGAEML
O=C([O-])c1cccc(-c2c([O-])[nH]c3cc(Cl)ccc3c2=O)c1	ZINC000013775732	431569009	/nfs/dbraw/zinc/56/90/09/431569009.db2.gz	NAPWQZVKCGFTMY-UHFFFAOYSA-N	-2	1	315.712	3.252	10	0		DGAEML
O=C([O-])CN(Cc1ccccc1)Cc1cccc([O-])c1Cl	ZINC000692416134	976458990	/nfs/dbraw/zinc/45/89/90/976458990.db2.gz	RSFCBBANQQFVTI-UHFFFAOYSA-N	-2	1	305.761	3.132	10	0		DGAEML