smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@@H+]2CCO[C@@H](C(=O)[O-])C2)c1	ZINC000736186287	599954343	/nfs/dbraw/zinc/95/43/43/599954343.db2.gz	ZYMOAYGYTFNUNG-QGZVFWFLSA-N	-1	2	378.425	0.712	20	10		GCCDLM
CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@H+]2CCO[C@@H](C(=O)[O-])C2)c1	ZINC000736186287	599954346	/nfs/dbraw/zinc/95/43/46/599954346.db2.gz	ZYMOAYGYTFNUNG-QGZVFWFLSA-N	-1	2	378.425	0.712	20	10		GCCDLM
O=C([O-])CNC(=O)c1ccc(NS(=O)(=O)c2cccc3nonc32)cc1	ZINC000765032004	602195063	/nfs/dbraw/zinc/19/50/63/602195063.db2.gz	ZBVYCZNOELATDK-UHFFFAOYSA-N	-1	2	376.350	0.838	20	10		GCCDLM
CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2cnn(CC(F)F)c2)ccc1O	ZINC000790071786	641407495	/nfs/dbraw/zinc/40/74/95/641407495.db2.gz	QWRGANPEXAJZJY-UHFFFAOYSA-N	-1	2	396.397	0.563	20	10		GCCDLM
O=C([O-])CNC(=O)Cc1ccc(NS(=O)(=O)c2cccc3nonc32)cc1	ZINC000833252451	602197830	/nfs/dbraw/zinc/19/78/30/602197830.db2.gz	QHXRVIGVSPPBRD-UHFFFAOYSA-N	-1	2	390.377	0.767	20	10		GCCDLM
CNS(=O)(=O)c1ccccc1S(=O)(=O)Nc1ccc(O)c(C(=O)[O-])c1	ZINC000799536283	641607687	/nfs/dbraw/zinc/60/76/87/641607687.db2.gz	PXWWNPFLZBVRHB-UHFFFAOYSA-N	-1	2	386.407	0.799	20	10		GCCDLM
CNS(=O)(=O)c1cc(NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)ccc1O	ZINC000790403826	641413224	/nfs/dbraw/zinc/41/32/24/641413224.db2.gz	AWMBLSNUZFEJCN-UHFFFAOYSA-N	-1	2	389.411	0.138	20	10		GCCDLM
CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2cc(C(=O)OC)co2)ccc1O	ZINC000790406784	641413483	/nfs/dbraw/zinc/41/34/83/641413483.db2.gz	HMKZFRIEGNOJFX-UHFFFAOYSA-N	-1	2	390.395	0.481	20	10		GCCDLM
CNS(=O)(=O)c1cc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)ccc1O	ZINC000790407324	641413401	/nfs/dbraw/zinc/41/34/01/641413401.db2.gz	KPVZUWTXINMJMI-UHFFFAOYSA-N	-1	2	375.384	0.127	20	10		GCCDLM
CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2cccc3nonc32)ccc1O	ZINC000790407551	641413957	/nfs/dbraw/zinc/41/39/57/641413957.db2.gz	NENKZYRMJQGVQA-UHFFFAOYSA-N	-1	2	384.395	0.637	20	10		GCCDLM
Cc1nn(C)cc1S(=O)(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)[O-])c1	ZINC000806634286	641652012	/nfs/dbraw/zinc/65/20/12/641652012.db2.gz	JKYVNCKKNUPTJX-UHFFFAOYSA-N	-1	2	388.427	0.599	20	10		GCCDLM
CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@@H+]2CCO[C@H](C(=O)[O-])C2)c1	ZINC000736186284	599954431	/nfs/dbraw/zinc/95/44/31/599954431.db2.gz	ZYMOAYGYTFNUNG-KRWDZBQOSA-N	-1	2	378.425	0.712	20	10		GCCDLM
CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@H+]2CCO[C@H](C(=O)[O-])C2)c1	ZINC000736186284	599954434	/nfs/dbraw/zinc/95/44/34/599954434.db2.gz	ZYMOAYGYTFNUNG-KRWDZBQOSA-N	-1	2	378.425	0.712	20	10		GCCDLM
CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2cnc(Cl)n2C)ccc1O	ZINC000790404506	641413282	/nfs/dbraw/zinc/41/32/82/641413282.db2.gz	DPHMOYXEQAJYEB-UHFFFAOYSA-N	-1	2	380.835	0.488	20	10		GCCDLM
CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2ncn(C)c2Cl)ccc1O	ZINC000790405353	641413364	/nfs/dbraw/zinc/41/33/64/641413364.db2.gz	JHJNGVHMIOKAEU-UHFFFAOYSA-N	-1	2	380.835	0.488	20	10		GCCDLM
CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2cn(CC(C)C)cn2)ccc1O	ZINC000790406881	641413472	/nfs/dbraw/zinc/41/34/72/641413472.db2.gz	IWOMCKJWYSTPLD-UHFFFAOYSA-N	-1	2	388.471	0.954	20	10		GCCDLM
CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2cn(C)c(Cl)n2)ccc1O	ZINC000790407039	641413313	/nfs/dbraw/zinc/41/33/13/641413313.db2.gz	QWKSFSPLKBBZAM-UHFFFAOYSA-N	-1	2	380.835	0.488	20	10		GCCDLM
CCn1nc(C)c(S(=O)(=O)[N-]c2ccc(O)c(S(=O)(=O)NC)c2)c1C	ZINC000790406736	641413460	/nfs/dbraw/zinc/41/34/60/641413460.db2.gz	GDJDYIFABFGCHS-UHFFFAOYSA-N	-1	2	388.471	0.934	20	10		GCCDLM
CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2ccc(C(=O)OC)o2)ccc1O	ZINC000790406311	641413326	/nfs/dbraw/zinc/41/33/26/641413326.db2.gz	NUWSBPPZCMCNGA-UHFFFAOYSA-N	-1	2	390.395	0.481	20	10		GCCDLM
CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2cn3c(n2)CCCC3)ccc1O	ZINC000377022990	530820817	/nfs/dbraw/zinc/82/08/17/530820817.db2.gz	KCWRUUWEOMOBOC-UHFFFAOYSA-N	-1	2	386.455	0.634	20	10		GCCDLM
CNS(=O)(=O)c1cc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)ccc1O	ZINC000790408323	641413903	/nfs/dbraw/zinc/41/39/03/641413903.db2.gz	WCKQWYYERZKSNS-UHFFFAOYSA-N	-1	2	386.407	0.799	20	10		GCCDLM
CNS(=O)(=O)c1cc(NS(=O)(=O)c2csc(C(=O)[O-])c2)ccc1O	ZINC000790408160	641413967	/nfs/dbraw/zinc/41/39/67/641413967.db2.gz	WNEUBWOPKXVDLC-UHFFFAOYSA-N	-1	2	392.436	0.861	20	10		GCCDLM