smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCOc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1c(C)csc1C(=O)[O-]	ZINC001595954828	983141517	/nfs/dbraw/zinc/14/15/17/983141517.db2.gz	OYSZVQVESXBDCU-UHFFFAOYSA-N	-2	2	399.446	3.043	20	0		GGADLL
Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C	ZINC000531489698	599851109	/nfs/dbraw/zinc/85/11/09/599851109.db2.gz	OTTGKRIJGLHLGM-UHFFFAOYSA-N	-2	2	399.446	3.041	20	0		GGADLL
CC(C)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)c(C(=O)[O-])c1	ZINC000827124894	600813834	/nfs/dbraw/zinc/81/38/34/600813834.db2.gz	STOKKNKENBZVIH-UHFFFAOYSA-N	-2	2	381.381	3.146	20	0		GGADLL
Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(C(=O)[O-])c1OC(C)C	ZINC000522378718	974349294	/nfs/dbraw/zinc/34/92/94/974349294.db2.gz	IJLKXVYZGUQEQB-UHFFFAOYSA-N	-2	2	399.446	3.041	20	0		GGADLL
Cc1cc(S(=O)(=O)Nc2cc3ccccc3cc2C(=O)[O-])sc1C(=O)[O-]	ZINC000920245812	982692061	/nfs/dbraw/zinc/69/20/61/982692061.db2.gz	RLCHKDCVLOYUQU-UHFFFAOYSA-N	-2	2	391.426	3.407	20	0		GGADLL
O=C(Nc1n[nH]c(C(F)(F)F)n1)c1cc(Br)cc(Cl)c1O	ZINC000174245404	565623876	/nfs/dbraw/zinc/62/38/76/565623876.db2.gz	XYXXRGYSYHIPRB-UHFFFAOYSA-N	-2	2	385.527	3.197	20	0		GGADLL
O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2cc3ccccc3cc2C(=O)[O-])c1	ZINC000833318130	600812345	/nfs/dbraw/zinc/81/23/45/600812345.db2.gz	GSVWIHCXBSIUJF-UHFFFAOYSA-N	-2	2	389.360	3.176	20	0		GGADLL
CC(C)c1cccc(C(=O)[O-])c1NS(=O)(=O)c1cc(C(=O)[O-])ccc1F	ZINC000745978362	978680105	/nfs/dbraw/zinc/68/01/05/978680105.db2.gz	UDNSYQJFPMADIC-UHFFFAOYSA-N	-2	2	381.381	3.146	20	0		GGADLL
Cc1cc(S(=O)(=O)Nc2c(C(=O)[O-])cccc2C(C)C)sc1C(=O)[O-]	ZINC000511277877	566451120	/nfs/dbraw/zinc/45/11/20/566451120.db2.gz	CARDZVBLMMFNFO-UHFFFAOYSA-N	-2	2	383.447	3.377	20	0		GGADLL
Cc1cc(S(=O)(=O)Nc2ccc([C@H](C)CC(=O)[O-])cc2)sc1C(=O)[O-]	ZINC000543166028	566858836	/nfs/dbraw/zinc/85/88/36/566858836.db2.gz	NAPGAAPSDWAZPP-SECBINFHSA-N	-2	2	383.447	3.134	20	0		GGADLL
Cc1cc(S(=O)(=O)Nc2ccc([C@@H](C)CC(=O)[O-])cc2)sc1C(=O)[O-]	ZINC000543166033	566858966	/nfs/dbraw/zinc/85/89/66/566858966.db2.gz	NAPGAAPSDWAZPP-VIFPVBQESA-N	-2	2	383.447	3.134	20	0		GGADLL
O=C([O-])c1ccc(S(=O)(=O)Nc2cc(Cl)c(Cl)c(C(=O)[O-])c2)s1	ZINC000833323633	601575343	/nfs/dbraw/zinc/57/53/43/601575343.db2.gz	VGHPCENOPZUEJA-UHFFFAOYSA-N	-2	2	396.229	3.252	20	0		GGADLL
Cc1c(C(=O)[O-])csc1NS(=O)(=O)c1cc(Cl)c(F)c(C(=O)[O-])c1	ZINC000833741556	605124842	/nfs/dbraw/zinc/12/48/42/605124842.db2.gz	RTSMNUPQEYDNQV-UHFFFAOYSA-N	-2	2	393.801	3.046	20	0		GGADLL
Cc1c(C(=O)[O-])csc1NS(=O)(=O)c1cc(C(=O)[O-])cc2c1CCCC2	ZINC000833741583	605127430	/nfs/dbraw/zinc/12/74/30/605127430.db2.gz	SGMISIMJFJMLSR-UHFFFAOYSA-N	-2	2	395.458	3.133	20	0		GGADLL
O=C1NC(=O)c2cc(S(=O)(=O)Nc3ccccc3Oc3ccccc3)ccc21	ZINC000111136132	1411890457	/nfs/dbraw/zinc/89/04/57/1411890457.db2.gz	LFTVZTLVPIRGRN-UHFFFAOYSA-N	-2	2	394.408	3.163	20	0		GGADLL
CC(C)(C)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)c(C(=O)[O-])c1	ZINC000511128861	566441131	/nfs/dbraw/zinc/44/11/31/566441131.db2.gz	YNVRUTVCFZAKQM-UHFFFAOYSA-N	-2	2	383.447	3.243	20	0		GGADLL
CCCc1ccc(NS(=O)(=O)c2cc(C)c(C(=O)[O-])s2)c(C(=O)[O-])c1	ZINC000515635225	566725745	/nfs/dbraw/zinc/72/57/45/566725745.db2.gz	PFGOMFVXWIZEOZ-UHFFFAOYSA-N	-2	2	383.447	3.206	20	0		GGADLL
CC(C)c1cccc(C(=O)[O-])c1NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F	ZINC000736522234	600233348	/nfs/dbraw/zinc/23/33/48/600233348.db2.gz	ZLXZMBBSVFBGSI-UHFFFAOYSA-N	-2	2	399.371	3.285	20	0		GGADLL
O=C([O-])c1csc(NS(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)c1	ZINC000833785043	604530947	/nfs/dbraw/zinc/53/09/47/604530947.db2.gz	ZEACZURCVXQCPQ-UHFFFAOYSA-N	-2	2	396.229	3.252	20	0		GGADLL
Cc1oc(C)c(S(=O)(=O)Nc2c(C)ccc(Cl)c2C(=O)[O-])c1C(=O)[O-]	ZINC000832935348	601881830	/nfs/dbraw/zinc/88/18/30/601881830.db2.gz	ZDLXLHRKNYGLIH-UHFFFAOYSA-N	-2	2	387.797	3.055	20	0		GGADLL
O=C([O-])c1sccc1NS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl	ZINC000740089963	599873943	/nfs/dbraw/zinc/87/39/43/599873943.db2.gz	QDJPGUAWZZKKLN-UHFFFAOYSA-N	-2	2	396.229	3.252	20	0		GGADLL
O=C([O-])c1csc(NS(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)c1	ZINC000833343586	602118456	/nfs/dbraw/zinc/11/84/56/602118456.db2.gz	IVRSJQJBVSRIFH-UHFFFAOYSA-N	-2	2	396.229	3.252	20	0		GGADLL
Cc1c(C(=O)[O-])csc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1C(C)C	ZINC000833741962	605127495	/nfs/dbraw/zinc/12/74/95/605127495.db2.gz	XTCLDEKZWLFYJH-UHFFFAOYSA-N	-2	2	383.447	3.377	20	0		GGADLL
COc1ccc(O)c(S(=O)(=O)Nc2ccc(Cl)cc2OCC(F)F)c1	ZINC000561699501	566731302	/nfs/dbraw/zinc/73/13/02/566731302.db2.gz	KLYOVGOXJZDCHH-UHFFFAOYSA-N	-2	2	393.795	3.499	20	0		GGADLL
O=C([O-])c1csc(S(=O)(=O)Nc2cc(Cl)c(Cl)c(C(=O)[O-])c2)c1	ZINC000481443195	567677469	/nfs/dbraw/zinc/67/74/69/567677469.db2.gz	ZDMSTXGFZLKENA-UHFFFAOYSA-N	-2	2	396.229	3.252	20	0		GGADLL
CC(C)c1cccc(C(=O)[O-])c1NS(=O)(=O)c1ccc(C(=O)[O-])cc1F	ZINC000438804518	974104634	/nfs/dbraw/zinc/10/46/34/974104634.db2.gz	XLDLDYMXYFYCPA-UHFFFAOYSA-N	-2	2	381.381	3.146	20	0		GGADLL
Cc1cc(S(=O)(=O)Nc2c(C)ccc(Cl)c2C(=O)[O-])sc1C(=O)[O-]	ZINC000444687982	567810250	/nfs/dbraw/zinc/81/02/50/567810250.db2.gz	XDCJKWSAWRWYBE-UHFFFAOYSA-N	-2	2	389.838	3.216	20	0		GGADLL
O=C([O-])c1sccc1NS(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl	ZINC000740075071	599974923	/nfs/dbraw/zinc/97/49/23/599974923.db2.gz	WCVLZGLLLRTLLB-UHFFFAOYSA-N	-2	2	396.229	3.252	20	0		GGADLL
O=C([O-])c1ccc(S(=O)(=O)Nc2cc3ccccc3cc2C(=O)[O-])c(F)c1	ZINC000743256625	600675697	/nfs/dbraw/zinc/67/56/97/600675697.db2.gz	NLQFXTBSYWLHBD-UHFFFAOYSA-N	-2	2	389.360	3.176	20	0		GGADLL