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-])C[C@H](C(=O)[O-])[C@@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)[O-]	ZINC000013524674	560218593	/nfs/dbraw/zinc/21/85/93/560218593.db2.gz	KYSQDMNDMYECNZ-GGKWECFFSA-N	-3	0	354.267	0.283	10	10	in-vitro	FCCERL
O=C1c2ccccc2C(=O)c2c1ccc(S(=O)(=O)[O-])c2S(=O)(=O)[O-]	ZINC000034130208	208102206	/nfs/dbraw/zinc/10/22/06/208102206.db2.gz	PTKWYSNDTXDBIZ-UHFFFAOYSA-N	-2	0	368.344	0.955	10	10		FCCERL
O=C([O-])C[C@@H](C(=O)[O-])[C@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)[O-]	ZINC000006525040	560206123	/nfs/dbraw/zinc/20/61/23/560206123.db2.gz	KYSQDMNDMYECNZ-XQEGFVLMSA-N	-3	0	354.267	0.283	10	10	in-vitro	FCCERL
CCn1nccc1S(=O)(=O)[N-]c1ccc([O-])c(S(=O)(=O)NC)c1	ZINC000790407819	668876319	/nfs/dbraw/zinc/87/63/19/668876319.db2.gz	SDGPRSRXFRREDN-UHFFFAOYSA-N	-2	0	360.417	0.318	10	10		FCCERL
O=C([O-])C[C@@H](C(=O)[O-])[C@@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)[O-]	ZINC000001529553	560180891	/nfs/dbraw/zinc/18/08/91/560180891.db2.gz	KYSQDMNDMYECNZ-UBYHCNMCSA-N	-3	0	354.267	0.283	10	10	in-vitro	FCCERL
CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2cnc3n2CCC3)ccc1[O-]	ZINC000790406804	668876321	/nfs/dbraw/zinc/87/63/21/668876321.db2.gz	HONUIWOYCNLWMM-UHFFFAOYSA-N	-2	0	372.428	0.244	10	10		FCCERL
CCn1cnc(S(=O)(=O)[N-]c2ccc([O-])c(S(=O)(=O)NC)c2)c1	ZINC000790406186	668876397	/nfs/dbraw/zinc/87/63/97/668876397.db2.gz	DKLABVQPNOYSSJ-UHFFFAOYSA-N	-2	0	360.417	0.318	10	10		FCCERL