smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])CCCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCCO2	ZINC000027345461	202154215	/nfs/dbraw/zinc/15/42/15/202154215.db2.gz	SDEOUBDMMDODGE-UHFFFAOYSA-N	-2	0	329.330	1.358	10	30		EDEERL
N#CC1c2cc(C(F)(F)F)ccc2C(=O)N1[C@H](CC(=O)[O-])C(=O)[O-]	ZINC000071681025	203102129	/nfs/dbraw/zinc/10/21/29/203102129.db2.gz	DHZKMSYPZBMIJE-NXEZZACHSA-N	-2	0	342.229	1.654	10	30		EDEERL
C[C@@H](C(=O)[O-])S(=O)(=O)[N-]c1sc2c(c1C#N)CC[C@@H](C)C2	ZINC000049046680	204365389	/nfs/dbraw/zinc/36/53/89/204365389.db2.gz	QOSCHTFXQVUVBJ-SFYZADRCSA-N	-2	0	328.415	1.959	10	30		EDEERL
C=CCS(=O)(=O)[C@H](C)C(=O)Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000071530649	215784655	/nfs/dbraw/zinc/78/46/55/215784655.db2.gz	JGZRLHPDECGXOK-MRVPVSSYSA-N	-2	0	341.341	1.011	10	30		EDEERL
N#Cc1ccccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000013262924	441155715	/nfs/dbraw/zinc/15/57/15/441155715.db2.gz	MIGZSWHFLTUPSH-UHFFFAOYSA-N	-3	0	346.320	1.755	10	30		EDEERL
O=C1Nc2ccc(S(=O)(=O)[O-])cc2/C1=C1/[N-]c2ccccc2C1=O	ZINC000012404528	441132647	/nfs/dbraw/zinc/13/26/47/441132647.db2.gz	IHBOEHLUIBMBMY-YPKPFQOOSA-N	-2	0	342.332	1.905	10	30	in-vivo	EDEERL
C[C@H](C(=O)[O-])S(=O)(=O)[N-]c1sc2c(c1C#N)CC[C@H](C)C2	ZINC000049046692	204364886	/nfs/dbraw/zinc/36/48/86/204364886.db2.gz	QOSCHTFXQVUVBJ-JGVFFNPUSA-N	-2	0	328.415	1.959	10	30		EDEERL