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)n2c(C(=O)[O-])cc3cccnc32)cc1	ZINC000095937118	301701155	/nfs/dbraw/zinc/70/11/55/301701155.db2.gz	FFPBYWMCGCQYTP-UHFFFAOYSA-N	-1	0	316.338	2.280	30	0		DEACRM
CC(C)OC(=O)c1nn(-c2cccc(C(F)(F)F)c2)c(=O)[n-]1	ZINC000015444150	182002348	/nfs/dbraw/zinc/00/23/48/182002348.db2.gz	BBIBTEWJPBKRIP-UHFFFAOYSA-N	-1	0	315.251	2.145	30	0		DEACRM
CC(C)OC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)c(=O)[n-]1	ZINC000015444148	182002332	/nfs/dbraw/zinc/00/23/32/182002332.db2.gz	MGKJNJFWHXJYRS-UHFFFAOYSA-N	-1	0	316.144	2.433	30	0		DEACRM
CCOC(=O)c1nn(-c2cc(Cl)cc(Cl)c2)c(=O)[n-]1	ZINC000015444264	182002600	/nfs/dbraw/zinc/00/26/00/182002600.db2.gz	PFUGDFCFHORSHG-UHFFFAOYSA-N	-1	0	302.117	2.044	30	0		DEACRM
Cn1c(=O)c2cc(Cl)cc(Cl)c2nc1SCC(=O)[O-]	ZINC000004294402	401726379	/nfs/dbraw/zinc/72/63/79/401726379.db2.gz	ODELGGDXVAUUBT-UHFFFAOYSA-N	-1	0	319.169	2.417	30	0		DEACRM
CC(C)OC(=O)c1nn(-c2cc(Cl)cc(Cl)c2)c(=O)[n-]1	ZINC000015444160	182002239	/nfs/dbraw/zinc/00/22/39/182002239.db2.gz	XHJSBRKDJRQIEA-UHFFFAOYSA-N	-1	0	316.144	2.433	30	0		DEACRM
CCOC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)c(=O)[n-]1	ZINC000015444272	182002289	/nfs/dbraw/zinc/00/22/89/182002289.db2.gz	CFHJBNLGHFTZFE-UHFFFAOYSA-N	-1	0	302.117	2.044	30	0		DEACRM
CCOC(=O)c1nn(-c2ccc(-c3ccccc3)cc2)c(=O)[n-]1	ZINC000015443928	182002498	/nfs/dbraw/zinc/00/24/98/182002498.db2.gz	GGZZOGYENDDRAS-UHFFFAOYSA-N	-1	0	309.325	2.404	30	0		DEACRM
Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2C=O)OCO3)cc1	ZINC000004244708	401726120	/nfs/dbraw/zinc/72/61/20/401726120.db2.gz	FIPZJZLYNHRRSG-UHFFFAOYSA-N	-1	0	319.338	2.337	30	0		DEACRM
COC(=O)c1nn(-c2c(Cl)cc(Cl)cc2Cl)c(=O)[n-]1	ZINC000015444165	182002453	/nfs/dbraw/zinc/00/24/53/182002453.db2.gz	CROUXXMLFDOHBM-UHFFFAOYSA-N	-1	0	322.535	2.307	30	0		DEACRM
O=C(Nc1ccccc1Cl)c1nn(-c2ccccc2)c(=O)[n-]1	ZINC000015444279	182002518	/nfs/dbraw/zinc/00/25/18/182002518.db2.gz	DNZJXLGSQIGWTH-UHFFFAOYSA-N	-1	0	314.732	2.466	30	0		DEACRM
O=C(Nc1ccccc1)c1nn(-c2ccccc2Cl)c(=O)[n-]1	ZINC000015444293	182002546	/nfs/dbraw/zinc/00/25/46/182002546.db2.gz	LLJGAJOEUXTSQE-UHFFFAOYSA-N	-1	0	314.732	2.466	30	0		DEACRM
CC(C)(C)OC(=O)N1CCC(C(=O)[O-])(c2cccnc2)CC1	ZINC000201281929	539723314	/nfs/dbraw/zinc/72/33/14/539723314.db2.gz	VASUZIOTZNBLBR-UHFFFAOYSA-N	-1	0	306.362	2.435	30	0		DEACRM
O=C(Nc1ccccc1)c1nn(-c2ccc(Cl)cc2)c(=O)[n-]1	ZINC000015444282	182002460	/nfs/dbraw/zinc/00/24/60/182002460.db2.gz	XRXJGVUVZRTBOL-UHFFFAOYSA-N	-1	0	314.732	2.466	30	0		DEACRM