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(Oc2ccc([N-]S(=O)(=O)c3ccc(CCC(=O)[O-])cc3)cc2)cc1	ZINC000519060072	927738462	/nfs/dbraw/zinc/73/84/62/927738462.db2.gz	AGCJZDOQBCHTIK-UHFFFAOYSA-N	-2	3	422.462	4.169	20	30		HIEDHL
CCc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(C#N)cc3)cc2)cc1C(=O)[O-]	ZINC000440814699	865931209	/nfs/dbraw/zinc/93/12/09/865931209.db2.gz	ZUJSPHOXDVYNAM-UHFFFAOYSA-N	-2	3	422.462	4.412	20	30		HIEDHL
Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3C#N)cc2)cc1C(=O)[O-]	ZINC000409871464	855698193	/nfs/dbraw/zinc/69/81/93/855698193.db2.gz	DYQQGPHVVASMHT-UHFFFAOYSA-N	-2	3	408.435	4.158	20	30		HIEDHL
Cc1cc(Oc2ccc(C#N)cc2)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1	ZINC000512808765	921315711	/nfs/dbraw/zinc/31/57/11/921315711.db2.gz	RBYOXSRHCMHTJQ-UHFFFAOYSA-N	-2	3	408.435	4.158	20	30		HIEDHL
C=C(C)CCc1noc(-c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2[O-])n1	ZINC000436684529	861893700	/nfs/dbraw/zinc/89/37/00/861893700.db2.gz	BTTRXDDULZYWRW-UHFFFAOYSA-N	-2	3	419.890	4.405	20	30		HIEDHL
Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(C#N)cc3)cc2C)cc1C(=O)[O-]	ZINC000511107115	919714629	/nfs/dbraw/zinc/71/46/29/919714629.db2.gz	NAUMTGKYWHXBMH-UHFFFAOYSA-N	-2	3	422.462	4.466	20	30		HIEDHL
Cc1cc(Oc2ccc(C#N)cc2)ccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC000511730955	920396452	/nfs/dbraw/zinc/39/64/52/920396452.db2.gz	VKZGLPUFWPOOSP-UHFFFAOYSA-N	-2	3	408.435	4.158	20	30		HIEDHL
CCc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3C#N)cc2)cc1C(=O)[O-]	ZINC000440825881	865940926	/nfs/dbraw/zinc/94/09/26/865940926.db2.gz	XCDVPZIDGHAOTO-UHFFFAOYSA-N	-2	3	422.462	4.412	20	30		HIEDHL
Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3cccc(C#N)c3)cc2)cc1C(=O)[O-]	ZINC000518242488	927103721	/nfs/dbraw/zinc/10/37/21/927103721.db2.gz	AXOOCDZOXGRJTI-UHFFFAOYSA-N	-2	3	408.435	4.158	20	30		HIEDHL
C=C[C@@H]1CCCCN1C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-]	ZINC000436728665	861914433	/nfs/dbraw/zinc/91/44/33/861914433.db2.gz	NGDDCXHKNBBGDE-MRXNPFEDSA-N	-2	3	420.918	4.027	20	30		HIEDHL
N#Cc1ccccc1Oc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cc1	ZINC000409873592	855700215	/nfs/dbraw/zinc/70/02/15/855700215.db2.gz	LNZZMJAOALXXGW-UHFFFAOYSA-N	-2	3	422.462	4.169	20	30		HIEDHL
C=CCCc1ccccc1[N-]S(=O)(=O)c1ccc(OCCCC(=O)[O-])c(C)c1	ZINC000443418641	868002965	/nfs/dbraw/zinc/00/29/65/868002965.db2.gz	OAYKDPBPOKHWPC-UHFFFAOYSA-N	-2	3	403.500	4.158	20	30		HIEDHL
C=C[C@H]1CCCCN1C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-]	ZINC000436728664	861913188	/nfs/dbraw/zinc/91/31/88/861913188.db2.gz	NGDDCXHKNBBGDE-INIZCTEOSA-N	-2	3	420.918	4.027	20	30		HIEDHL
C=CCn1c(-c2sc(NC(=O)c3cc(Cl)ccc3[O-])nc2C)n[n-]c1=S	ZINC000111199486	853220250	/nfs/dbraw/zinc/22/02/50/853220250.db2.gz	WNYUYEXAQFLMAC-UHFFFAOYSA-N	-2	3	407.908	4.170	20	30		HIEDHL
Cc1cc(Oc2ccc(C#N)cc2)ccc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1	ZINC000481980130	897374594	/nfs/dbraw/zinc/37/45/94/897374594.db2.gz	LTYYHRDFNNAJRI-UHFFFAOYSA-N	-2	3	422.462	4.087	20	30		HIEDHL
CCc1ccc(S(=O)(=O)[N-]c2ccc(Oc3cccc(C#N)c3)cc2)cc1C(=O)[O-]	ZINC000440821699	865937192	/nfs/dbraw/zinc/93/71/92/865937192.db2.gz	BJIFAXJFAPXLQB-UHFFFAOYSA-N	-2	3	422.462	4.412	20	30		HIEDHL
Cc1cc(Oc2ccc(C#N)cc2)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1	ZINC000506732848	915418997	/nfs/dbraw/zinc/41/89/97/915418997.db2.gz	YNPXEDYRYJEIOU-UHFFFAOYSA-N	-2	3	422.462	4.466	20	30		HIEDHL
N#CCCSc1ccccc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1[O-]	ZINC000436478072	861819202	/nfs/dbraw/zinc/81/92/02/861819202.db2.gz	OJFDRFOREOZJHK-UHFFFAOYSA-N	-2	3	402.419	4.218	20	30		HIEDHL
N#Cc1ccc(CSc2nnc([N-]C(=O)c3cc(F)c(F)c([O-])c3F)s2)cc1	ZINC000544519936	940470213	/nfs/dbraw/zinc/47/02/13/940470213.db2.gz	OUDGUKJMEXIARW-UHFFFAOYSA-N	-2	3	422.413	4.077	20	30		HIEDHL
Cc1cc(Oc2ccc(C#N)cc2)ccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C	ZINC000477413750	892366395	/nfs/dbraw/zinc/36/63/95/892366395.db2.gz	ONQWKGQFLRZTBJ-UHFFFAOYSA-N	-2	3	422.462	4.466	20	30		HIEDHL
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Oc2ccccc2C#N)cc1	ZINC000409868369	855696620	/nfs/dbraw/zinc/69/66/20/855696620.db2.gz	DHXGIVWJMJVMGK-UHFFFAOYSA-N	-2	3	408.435	4.158	20	30		HIEDHL
COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(Oc3ccccc3C#N)c(F)c2)c1	ZINC000538296140	938586080	/nfs/dbraw/zinc/58/60/80/938586080.db2.gz	ILNNYUHTCANKQO-UHFFFAOYSA-N	-2	3	414.414	4.005	20	30		HIEDHL