smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1CCC(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2Cl)CC1	ZINC000217021939	568470358	/nfs/dbraw/zinc/47/03/58/568470358.db2.gz	XTHGVRSJWNDEPL-UHFFFAOYSA-N	-1	3	407.923	2.965	40	70		HFIBHM
CS(=O)(=O)[N-]c1ccc(C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)cc1	ZINC000218404837	568479924	/nfs/dbraw/zinc/47/99/24/568479924.db2.gz	BFIVXVASHSCVRW-UHFFFAOYSA-N	-1	3	406.851	2.692	40	70		HFIBHM
CN1CCC(NC(=O)c2cc([N-]S(=O)(=O)c3ccccc3)ccc2Cl)CC1	ZINC000217021704	568470157	/nfs/dbraw/zinc/47/01/57/568470157.db2.gz	LXSHWBZXOQBJFI-UHFFFAOYSA-N	-1	3	407.923	2.965	40	70		HFIBHM
CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCN(C)CC3)cc2)cc1C	ZINC000216796011	568467672	/nfs/dbraw/zinc/46/76/72/568467672.db2.gz	OTRMNWRZMSDJDF-UHFFFAOYSA-N	-1	3	417.531	2.582	40	70		HFIBHM
Cc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)NC3CCN(C)CC3)cc2)cc1	ZINC000216840139	568468175	/nfs/dbraw/zinc/46/81/75/568468175.db2.gz	CMHZCXUWHYBKHO-UHFFFAOYSA-N	-1	3	415.559	2.939	40	70		HFIBHM
CCN(Cc1nc(-c2cccs2)no1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1	ZINC000218405877	568479910	/nfs/dbraw/zinc/47/99/10/568479910.db2.gz	IGGDGLSQZYHDJL-UHFFFAOYSA-N	-1	3	406.489	2.832	40	70		HFIBHM
Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NC2CCN(C)CC2)ccc1C	ZINC000216940422	568469448	/nfs/dbraw/zinc/46/94/48/568469448.db2.gz	IGNXXASDIOQLPL-UHFFFAOYSA-N	-1	3	401.532	2.928	40	70		HFIBHM
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC3CCN(C)CC3)cc2C)cc1	ZINC000216944746	568469637	/nfs/dbraw/zinc/46/96/37/568469637.db2.gz	BHPULFRDHYSPDG-UHFFFAOYSA-N	-1	3	401.532	2.928	40	70		HFIBHM
CS(=O)(=O)[N-]c1ccc(C(=O)NCc2nc(-c3ccccc3Cl)no2)cc1	ZINC000218404739	568479928	/nfs/dbraw/zinc/47/99/28/568479928.db2.gz	BYZQHKAYYOIROI-UHFFFAOYSA-N	-1	3	406.851	2.692	40	70		HFIBHM
Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NC3CCN(C)CC3)c2C)cc1	ZINC000216944320	568469642	/nfs/dbraw/zinc/46/96/42/568469642.db2.gz	ZIGWKBPWJZYGPN-UHFFFAOYSA-N	-1	3	401.532	2.928	40	70		HFIBHM
Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N3CCN(C)CC3)cc2)c(C)c1	ZINC000216796665	568467657	/nfs/dbraw/zinc/46/76/57/568467657.db2.gz	BFAYUBDASUBBAV-UHFFFAOYSA-N	-1	3	401.532	2.800	40	70		HFIBHM
CN1CCC(Oc2ccc(NC(=O)c3ccccc3[N-]S(C)(=O)=O)cc2)CC1	ZINC000216940000	568469451	/nfs/dbraw/zinc/46/94/51/568469451.db2.gz	DMZCXUDGZLAGHD-UHFFFAOYSA-N	-1	3	403.504	2.783	40	70		HFIBHM
Cc1ccc(-c2noc(CN(C)C(=O)c3ccc([N-]S(C)(=O)=O)cc3)n2)cc1	ZINC000218405165	568479826	/nfs/dbraw/zinc/47/98/26/568479826.db2.gz	ROCRURXTSAOGIU-UHFFFAOYSA-N	-1	3	400.460	2.689	40	70		HFIBHM
Cc1cccc(-c2noc(CN(C)C(=O)c3ccc([N-]S(C)(=O)=O)cc3)n2)c1	ZINC000218405063	568479793	/nfs/dbraw/zinc/47/97/93/568479793.db2.gz	AENXPHUIGKLUPJ-UHFFFAOYSA-N	-1	3	400.460	2.689	40	70		HFIBHM