smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)[C@H]1CCCN(c2ncc(C(=O)[O-])cc2NS(=O)(=O)c2cc(OC)ccc2OC)C1	ZINC000064843642	569638112	/nfs/dbraw/zinc/63/81/12/569638112.db2.gz	PJDGCAMLGVIIKQ-AWEZNQCLSA-N	-1	2	493.538	2.377	50	0		JEAALM
CC(C)NC(=O)CN1CCN(c2ccc(NS(=O)(=O)c3cc(F)ccc3F)cc2C(=O)[O-])CC1	ZINC000033253156	519707214	/nfs/dbraw/zinc/70/72/14/519707214.db2.gz	QVJVYJHGEUUDPH-UHFFFAOYSA-N	-1	2	496.536	2.110	50	0		JEAALM
COC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1cc(/C=C\C(=O)[O-])cc(OC)c1OC	ZINC000033489736	521899305	/nfs/dbraw/zinc/89/93/05/521899305.db2.gz	YCZWQSJSMKZIOH-SREVYHEPSA-N	-1	2	481.479	2.406	50	0		JEAALM
CCOC(=O)[C@H]1CCCN(c2ncc(NS(=O)(=O)c3cc(OC)ccc3OC)cc2C(=O)[O-])C1	ZINC000035397284	569687912	/nfs/dbraw/zinc/68/79/12/569687912.db2.gz	UDDUAJUPVQDEJJ-AWEZNQCLSA-N	-1	2	493.538	2.377	50	0		JEAALM
CCOC(=O)[C@@H]1CCCN(c2ncc(NS(=O)(=O)c3cc(OC)ccc3OC)cc2C(=O)[O-])C1	ZINC000035397283	569687928	/nfs/dbraw/zinc/68/79/28/569687928.db2.gz	UDDUAJUPVQDEJJ-CQSZACIVSA-N	-1	2	493.538	2.377	50	0		JEAALM
O=c1occ(C[NH+]2CCCCC2)c(O)c1CN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	ZINC000101372674	569794776	/nfs/dbraw/zinc/79/47/76/569794776.db2.gz	LHOKNSLOLHFJPG-UHFFFAOYSA-N	-1	2	482.002	2.491	50	0		JEAALM
COc1cc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)nc(OC)n1	ZINC000001802773	194143213	/nfs/dbraw/zinc/14/32/13/194143213.db2.gz	JSHOFASTNIUONV-UHFFFAOYSA-N	-1	2	456.527	2.157	50	0		JEAALM
COc1ccc2c(c1)c([C@H](C(=O)[O-])N1CC[NH+](Cc3c(C)noc3C)CC1)cn2CC(=O)[O-]	ZINC000036359558	569772446	/nfs/dbraw/zinc/77/24/46/569772446.db2.gz	NGYNVARWDMJNEU-JOCHJYFZSA-N	-1	2	456.499	2.283	50	0		JEAALM
COc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3C(=O)[O-])cc2)nc(OC)n1	ZINC000002059773	554016420	/nfs/dbraw/zinc/01/64/20/554016420.db2.gz	ITCAVNZNLXXTPZ-UHFFFAOYSA-N	-1	2	458.452	2.245	50	0		JEAALM
CCc1nnc(NS(=O)(=O)c2ccc(N3C(=O)c4ccc(C(=O)[O-])cc4C3=O)cc2)s1	ZINC000009756076	555484910	/nfs/dbraw/zinc/48/49/10/555484910.db2.gz	BPJUMOJCFBROQZ-UHFFFAOYSA-N	-1	2	458.477	2.400	50	0		JEAALM
CCOC(=O)C1CCN(c2ncc(NS(=O)(=O)c3cc(OC)ccc3OC)cc2C(=O)[O-])CC1	ZINC000035397403	569688074	/nfs/dbraw/zinc/68/80/74/569688074.db2.gz	SQGSRIPRPBNORB-UHFFFAOYSA-N	-1	2	493.538	2.377	50	0		JEAALM
CC(C)(C)NC(=O)C[NH+]1CCN(c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2cccs2)CC1	ZINC000063600986	569615727	/nfs/dbraw/zinc/61/57/27/569615727.db2.gz	QBUJGFGRKPNHDA-UHFFFAOYSA-N	-1	2	480.612	2.284	50	0		JEAALM
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3cc(C(=O)[O-])cs3)cc2)n1	ZINC000012556928	556043870	/nfs/dbraw/zinc/04/38/70/556043870.db2.gz	CYYZIFCZHWUUGW-UHFFFAOYSA-N	-1	2	468.538	2.455	50	0		JEAALM
COc1ccc2c(c1)c([C@@H](C(=O)[O-])N1CC[NH+](Cc3c(C)noc3C)CC1)cn2CC(=O)[O-]	ZINC000036359557	569772424	/nfs/dbraw/zinc/77/24/24/569772424.db2.gz	NGYNVARWDMJNEU-QFIPXVFZSA-N	-1	2	456.499	2.283	50	0		JEAALM
Cc1c2cc(Cl)c(O)cc2oc(=O)c1CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)[O-]	ZINC000013591180	555525429	/nfs/dbraw/zinc/52/54/29/555525429.db2.gz	MSIZOQLPPGWHLK-UGSOOPFHSA-N	-1	2	486.908	2.320	50	0		JEAALM
O=c1[nH]c(=S)[nH]c(O)c1C(c1cc(Br)ccc1O)C1C(=O)NC(=S)N=C1[O-]	ZINC000016225650	527436780	/nfs/dbraw/zinc/43/67/80/527436780.db2.gz	CHOSRINSCYDFFF-UHFFFAOYSA-N	-1	2	471.314	2.238	50	0		JEAALM
Cn1c([O-])c(C(c2ccc(Cl)cc2)c2c(O)n(C)c(=S)n(C)c2=O)c(=O)n(C)c1=S	ZINC000013757355	555611225	/nfs/dbraw/zinc/61/12/25/555611225.db2.gz	CTLCVGLXUKNAEQ-UHFFFAOYSA-N	-1	2	466.972	2.465	50	0		JEAALM
CCOC(=O)N1CCN(c2ccc(C(=O)[O-])cc2NS(=O)(=O)c2cc(OC)ccc2OC)CC1	ZINC000032961838	556579117	/nfs/dbraw/zinc/57/91/17/556579117.db2.gz	HSKSANMMBHZVPN-UHFFFAOYSA-N	-1	2	493.538	2.481	50	0		JEAALM
CCOC(=O)[C@@H]1CCCN(c2ncc(C(=O)[O-])cc2NS(=O)(=O)c2cc(OC)ccc2OC)C1	ZINC000064843640	569638226	/nfs/dbraw/zinc/63/82/26/569638226.db2.gz	PJDGCAMLGVIIKQ-CQSZACIVSA-N	-1	2	493.538	2.377	50	0		JEAALM