smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCCCN(C)C(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1[O-]	ZINC000129257930	564643735	/nfs/dbraw/zinc/64/37/35/564643735.db2.gz	ILTTXMAATSBEEK-UHFFFAOYSA-N	-2	1	380.491	3.293	10	30		GGEEML
N#Cc1cc(S(=O)(=O)[N-]c2ccc3c(C(=O)[O-])c[nH]c3c2)ccc1Cl	ZINC000110590268	565042591	/nfs/dbraw/zinc/04/25/91/565042591.db2.gz	JNJMJLLXCLXXNY-UHFFFAOYSA-N	-2	1	375.793	3.192	10	30		GGEEML
N#Cc1cc(S(=O)(=O)[N-]c2ccccc2CCCC(=O)[O-])ccc1Cl	ZINC000541003525	566686285	/nfs/dbraw/zinc/68/62/85/566686285.db2.gz	XEQFWKYKWIAZIM-UHFFFAOYSA-N	-2	1	378.837	3.420	10	30		GGEEML
COc1cc(C)c([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c(C(=O)[O-])c1	ZINC000548597709	567336604	/nfs/dbraw/zinc/33/66/04/567336604.db2.gz	ROXSFCQRCFSMEJ-UHFFFAOYSA-N	-2	1	380.809	3.028	10	30		GGEEML
CSc1[n-]c(=O)c(C(=O)Nc2cc(C)cc(Br)c2[O-])cc1C#N	ZINC000482600728	566321603	/nfs/dbraw/zinc/32/16/03/566321603.db2.gz	HSOBIOXVUYNXEQ-UHFFFAOYSA-N	-2	1	394.250	3.410	10	30		GGEEML
COc1cc(C)c([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c(C(=O)[O-])c1	ZINC000548234675	567295958	/nfs/dbraw/zinc/29/59/58/567295958.db2.gz	GLAYJTLXEBPFJP-UHFFFAOYSA-N	-2	1	380.809	3.028	10	30		GGEEML
[O-]c1c(Br)cc(C=NNc2n[n-]c(=S)[nH]2)cc1Br	ZINC000006328593	564222291	/nfs/dbraw/zinc/22/22/91/564222291.db2.gz	IKEAWMWZROOZTL-KGVSQERTSA-N	-2	1	393.064	3.144	10	30		GGEEML
N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2CCCC(=O)[O-])cc1Cl	ZINC000543787583	566911530	/nfs/dbraw/zinc/91/15/30/566911530.db2.gz	LWWQYGGSTUGYFW-UHFFFAOYSA-N	-2	1	378.837	3.420	10	30		GGEEML
N#Cc1cc(S(=O)(=O)[N-]c2ccc(CCCC(=O)[O-])cc2)ccc1Cl	ZINC000134620594	564809239	/nfs/dbraw/zinc/80/92/39/564809239.db2.gz	KANHSYNBHPZXRP-UHFFFAOYSA-N	-2	1	378.837	3.420	10	30		GGEEML
Cc1ccc(Br)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cccc(C#N)c1	ZINC000463368646	566403630	/nfs/dbraw/zinc/40/36/30/566403630.db2.gz	PSDGFLJUPQUBQN-UHFFFAOYSA-N	-2	1	395.234	3.128	10	30		GGEEML
Cc1ccc(Br)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C#N)cc1	ZINC000463367517	566403928	/nfs/dbraw/zinc/40/39/28/566403928.db2.gz	MNFWMBJZRWASMH-UHFFFAOYSA-N	-2	1	395.234	3.128	10	30		GGEEML