smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(S(=O)(=O)[N-]c2cc(S(=O)(=O)[O-])c(N)c3c2C(=O)c2ccccc2C3=O)cc1	ZINC000003991731	194367955	/nfs/dbraw/zinc/36/79/55/194367955.db2.gz	IIZQAPDECJYKDK-UHFFFAOYSA-N	-2	1	472.500	2.400	50	10		JECAML
O=C([O-])COc1c(Br)cc(/C=C2/C(=O)[N-]C(=S)NC2=O)cc1Br	ZINC000027522740	556286772	/nfs/dbraw/zinc/28/67/72/556286772.db2.gz	MTKHNEQEEUQFSI-UHFFFAOYSA-N	-2	1	464.091	2.430	50	10		JECAML
O=C([O-])COc1c(Br)cc(/C=C2\C(=O)[N-]C(=S)NC2=O)cc1Br	ZINC000027522740	556286775	/nfs/dbraw/zinc/28/67/75/556286775.db2.gz	MTKHNEQEEUQFSI-UHFFFAOYSA-N	-2	1	464.091	2.430	50	10		JECAML
O=C([O-])COc1c(Br)cc(C=C2C(=O)[N-]C(=S)NC2=O)cc1Br	ZINC000027522740	556286777	/nfs/dbraw/zinc/28/67/77/556286777.db2.gz	MTKHNEQEEUQFSI-UHFFFAOYSA-N	-2	1	464.091	2.430	50	10		JECAML
COc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1	ZINC000409066390	570116520	/nfs/dbraw/zinc/11/65/20/570116520.db2.gz	ALLOHYGHPQUOET-UHFFFAOYSA-N	-2	1	475.251	2.484	50	10		JECAML
COc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1	ZINC000409066390	570116521	/nfs/dbraw/zinc/11/65/21/570116521.db2.gz	ALLOHYGHPQUOET-UHFFFAOYSA-N	-2	1	475.251	2.484	50	10		JECAML