smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=S(=O)([N-]c1ccccc1)c1c(Cl)cc(Br)cc1Cl	ZINC000016099998	210184556	/nfs/dbraw/zinc/18/45/56/210184556.db2.gz	WOJSLYNFIHJICP-UHFFFAOYSA-N	-1	0	381.078	4.557	20	0		GJADRM
CC(C)c1ccc([C@H](NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])c2cccs2)cc1	ZINC000013014348	210047192	/nfs/dbraw/zinc/04/71/92/210047192.db2.gz	SLWVRDURFRPAIX-BJLQDIEVSA-N	-1	0	383.513	4.744	20	0		GJADRM
CCN1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C/c2ccccc2Cl)C1	ZINC000006429591	212069793	/nfs/dbraw/zinc/06/97/93/212069793.db2.gz	XRNOTIZHCITSBQ-RVDMUPIBSA-N	-1	0	378.859	4.963	20	0		GJADRM
O=c1nc(CSc2nc3ccccc3n2-c2ccccc2)[n-]c2ccsc21	ZINC000005623564	212066710	/nfs/dbraw/zinc/06/67/10/212066710.db2.gz	UVKWBPZGJQISBX-UHFFFAOYSA-N	-1	0	390.493	4.616	20	0		GJADRM
Cc1nc(-c2ccc([N-]S(=O)(=O)c3ccccc3C(F)(F)F)cc2)cs1	ZINC000007726298	206221488	/nfs/dbraw/zinc/22/14/88/206221488.db2.gz	PMHCCPSSQUYNFX-UHFFFAOYSA-N	-1	0	398.431	4.938	20	0		GJADRM
CCC1(C(=O)[O-])CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1	ZINC000070915626	570596334	/nfs/dbraw/zinc/59/63/34/570596334.db2.gz	STSYGDQTYHCAHB-UHFFFAOYSA-N	-1	0	379.456	4.512	20	0		GJADRM
CC(C)c1ccc([C@H](NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])c2cccs2)cc1	ZINC000013014344	221258129	/nfs/dbraw/zinc/25/81/29/221258129.db2.gz	SLWVRDURFRPAIX-HBFSDRIKSA-N	-1	0	383.513	4.744	20	0		GJADRM
CC(C)c1ccc([C@@H](NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])c2cccs2)cc1	ZINC000013014342	221258292	/nfs/dbraw/zinc/25/82/92/221258292.db2.gz	SLWVRDURFRPAIX-WSTZPKSXSA-N	-1	0	383.513	4.744	20	0		GJADRM
CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1	ZINC000134970505	570936825	/nfs/dbraw/zinc/93/68/25/570936825.db2.gz	ZOJDBZNVQWLELP-MRXNPFEDSA-N	-1	0	393.483	4.758	20	0		GJADRM
CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1	ZINC000134970529	570936642	/nfs/dbraw/zinc/93/66/42/570936642.db2.gz	ZOJDBZNVQWLELP-INIZCTEOSA-N	-1	0	393.483	4.758	20	0		GJADRM
CCOc1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc1F	ZINC000071978016	222201181	/nfs/dbraw/zinc/20/11/81/222201181.db2.gz	YYQQBVNKPNAMKB-UHFFFAOYSA-N	-1	0	397.777	4.697	20	0		GJADRM
CC1(C)[C@H](CCC(=O)[O-])C[C@@H]1NC(=O)OCC1c2ccccc2-c2ccccc21	ZINC000723271776	570741410	/nfs/dbraw/zinc/74/14/10/570741410.db2.gz	OCHWZJYRJHWLBL-VFNWGFHPSA-N	-1	0	393.483	4.805	20	0		GJADRM
CCOc1ccccc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl	ZINC000016147652	206251739	/nfs/dbraw/zinc/25/17/39/206251739.db2.gz	OXCGUQKTZGQKIV-UHFFFAOYSA-N	-1	0	379.787	4.558	20	0		GJADRM
O=C([O-])c1ccc(CNc2ncnc3scc(-c4ccc(F)cc4)c32)cc1	ZINC000020278837	207187317	/nfs/dbraw/zinc/18/73/17/207187317.db2.gz	YAWGDTADXIZYIT-UHFFFAOYSA-N	-1	0	379.416	4.808	20	0		GJADRM
COc1ccccc1[N-]S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	ZINC000016101052	221357295	/nfs/dbraw/zinc/35/72/95/221357295.db2.gz	LOGMCLFJJASGNH-UHFFFAOYSA-N	-1	0	399.312	4.534	20	0		GJADRM
CCOc1cccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)c1	ZINC000071977703	222201560	/nfs/dbraw/zinc/20/15/60/222201560.db2.gz	PMLIWRUEUYAQLA-UHFFFAOYSA-N	-1	0	379.787	4.558	20	0		GJADRM
O=S(=O)([N-]c1ccc(OC(F)F)c(Cl)c1)c1ccc(Cl)cc1F	ZINC000016151625	212104457	/nfs/dbraw/zinc/10/44/57/212104457.db2.gz	HAEHHMPPRJQKDL-UHFFFAOYSA-N	-1	0	386.178	4.535	20	0		GJADRM
CC(C)(C)c1nc2cc([N-]S(=O)(=O)c3cccc(Cl)c3F)ccc2o1	ZINC000071975794	222201142	/nfs/dbraw/zinc/20/11/42/222201142.db2.gz	JAJIZTBNVCOJRZ-UHFFFAOYSA-N	-1	0	382.844	4.719	20	0		GJADRM