smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1	ZINC000013362409	401799293	/nfs/dbraw/zinc/79/92/93/401799293.db2.gz	DLNMLFVYDSSDTP-UHFFFAOYSA-N	-2	1	320.301	2.196	50	30		DEEAML
N#Cc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)c1	ZINC000034875423	401894074	/nfs/dbraw/zinc/89/40/74/401894074.db2.gz	NTVXZCBYPCNESK-UHFFFAOYSA-N	-2	1	302.311	2.057	50	30		DEEAML
N#Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1	ZINC000012557229	401788476	/nfs/dbraw/zinc/78/84/76/401788476.db2.gz	JEYACWOOMFMPCY-UHFFFAOYSA-N	-2	1	302.311	2.057	50	30		DEEAML
N#Cc1cccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)c1	ZINC000013264850	401798335	/nfs/dbraw/zinc/79/83/35/401798335.db2.gz	QOSRVFKFJXJBKW-UHFFFAOYSA-N	-2	1	302.311	2.057	50	30		DEEAML
CC(=NNc1ccc(C(=O)[O-])cc1)c1ccc([O-])c(C(N)=O)c1	ZINC000004738363	634121391	/nfs/dbraw/zinc/12/13/91/634121391.db2.gz	VRKZTJDZRZUYQJ-NVMNQCDNSA-N	-2	1	313.313	2.025	50	30		DEEAML
N#Cc1cccc(S(=O)(=O)[N-]c2ccc(F)cc2C(=O)[O-])c1	ZINC000040161391	183041143	/nfs/dbraw/zinc/04/11/43/183041143.db2.gz	QGGFDXNPJMEQSV-UHFFFAOYSA-N	-2	1	320.301	2.196	50	30		DEEAML
C#Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c1	ZINC000014898614	181974337	/nfs/dbraw/zinc/97/43/37/181974337.db2.gz	JKERYVIICWKDIW-UHFFFAOYSA-N	-2	1	315.350	2.475	50	30		DEEAML
C#Cc1cccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c1	ZINC000024346867	518367344	/nfs/dbraw/zinc/36/73/44/518367344.db2.gz	OAQITYBCVDOAMW-UHFFFAOYSA-N	-2	1	319.313	2.306	50	30		DEEAML
Cc1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)c(C(=O)[O-])c1	ZINC000046015554	183543414	/nfs/dbraw/zinc/54/34/14/183543414.db2.gz	SYJLPCSIPXWUTH-UHFFFAOYSA-N	-2	1	316.338	2.366	50	30		DEEAML
Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cccc(C#N)c1	ZINC000014097334	401806800	/nfs/dbraw/zinc/80/68/00/401806800.db2.gz	NEHYHXZIVCPSSE-UHFFFAOYSA-N	-2	1	316.338	2.366	50	30		DEEAML
O=C([O-])c1ccc(NC=CC(=O)C2=C([O-])CCCC2=O)cc1	ZINC000100445159	402141331	/nfs/dbraw/zinc/14/13/31/402141331.db2.gz	GWEYQUFCYXXYGU-HJWRWDBZSA-N	-2	1	301.298	2.445	50	30	biogenic	DEEAML
C#Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)c1	ZINC000012526437	401787207	/nfs/dbraw/zinc/78/72/07/401787207.db2.gz	RGRLUSOMJDSZKN-UHFFFAOYSA-N	-2	1	315.350	2.475	50	30		DEEAML
N#Cc1cccc(S(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])c1	ZINC000047202290	401979664	/nfs/dbraw/zinc/97/96/64/401979664.db2.gz	JWWVOHDJXWUUAY-UHFFFAOYSA-N	-2	1	320.301	2.196	50	30		DEEAML
O=[N+]([O-])c1cc(/C=N/c2ncccc2[O-])c([O-])c([N+](=O)[O-])c1	ZINC000003114045	401721918	/nfs/dbraw/zinc/72/19/18/401721918.db2.gz	HBEJFMMXRWJVCQ-MKMNVTDBSA-N	-2	1	304.218	2.060	50	30		DEEAML
N#Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)cc1	ZINC000012532553	401786823	/nfs/dbraw/zinc/78/68/23/401786823.db2.gz	UAJCXDLURPNLKN-UHFFFAOYSA-N	-2	1	302.311	2.057	50	30		DEEAML
Cc1c([N-]S(=O)(=O)c2cccc(C#N)c2)cccc1C(=O)[O-]	ZINC000072089133	401702725	/nfs/dbraw/zinc/70/27/25/401702725.db2.gz	JQWHZSNYMVHNHQ-UHFFFAOYSA-N	-2	1	316.338	2.366	50	30		DEEAML
C#Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c1	ZINC000012526083	401787193	/nfs/dbraw/zinc/78/71/93/401787193.db2.gz	ITIJQNLKOMBFCJ-UHFFFAOYSA-N	-2	1	301.323	2.167	50	30		DEEAML
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C#N)c1	ZINC000012630733	401789777	/nfs/dbraw/zinc/78/97/77/401789777.db2.gz	YGGJTRNQZQZHHT-UHFFFAOYSA-N	-2	1	316.338	2.366	50	30		DEEAML