smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(/C(c2ccccc2S(=O)(=O)[O-])=C2\C=C(C)C(=O)C(CN(CC(=O)[O-])CC(=O)[O-])=C2)cc(C[NH+](CC(=O)[O-])CC(=O)[O-])c1O	ZINC000026644896	553820017	/nfs/dbraw/zinc/82/00/17/553820017.db2.gz	SESORLVFYDXIDP-BRPDVVIDSA-N	-4	2	672.665	1.647	40	30		KDEBLL
CC[C@H](NS(=O)(=O)c1ccc2c(c1)C(=NO)c1cc(S(=O)(=O)N[C@@H](CC)C(=O)[O-])ccc1-2)C(=O)[O-]	ZINC000102415298	1066436638	/nfs/dbraw/zinc/43/66/38/1066436638.db2.gz	HLCCBGCVUHZZLU-ROUUACIJSA-N	-2	2	525.561	1.177	40	30		KDEBLL
CC[C@@H](NS(=O)(=O)c1ccc2c(c1)C(=NO)c1cc(S(=O)(=O)N[C@@H](CC)C(=O)[O-])ccc1-2)C(=O)[O-]	ZINC000102415299	1066436922	/nfs/dbraw/zinc/43/69/22/1066436922.db2.gz	HLCCBGCVUHZZLU-HDICACEKSA-N	-2	2	525.561	1.177	40	30		KDEBLL
CC[C@@H](NS(=O)(=O)c1ccc2c(c1)C(=NO)c1cc(S(=O)(=O)N[C@H](CC)C(=O)[O-])ccc1-2)C(=O)[O-]	ZINC000102415301	1066436622	/nfs/dbraw/zinc/43/66/22/1066436622.db2.gz	HLCCBGCVUHZZLU-QZTJIDSGSA-N	-2	2	525.561	1.177	40	30		KDEBLL
CN(CCCC(=O)[O-])S(=O)(=O)c1ccc2c(c1)C(=NO)c1cc(S(=O)(=O)N(C)CCCC(=O)[O-])ccc1-2	ZINC000102626474	1066436821	/nfs/dbraw/zinc/43/68/21/1066436821.db2.gz	YAIKQTQDVAZUQR-UHFFFAOYSA-N	-2	2	553.615	1.864	40	30		KDEBLL
Cc1cc(/C(c2ccccc2S(=O)(=O)[O-])=C2\C=C(C)C(=O)C(C[NH+](CC(=O)[O-])CC(=O)[O-])=C2)cc(N(CC(=O)[O-])CC(=O)[O-])c1O	ZINC000150348197	571461054	/nfs/dbraw/zinc/46/10/54/571461054.db2.gz	PEFVVIBQMVBLKW-VEILYXNESA-N	-4	2	658.638	1.651	40	30		KDEBLL