smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C(=O)N4CCN(C)CC4)cc3)cc2)cc1C	ZINC000216831464	571599725	/nfs/dbraw/zinc/59/97/25/571599725.db2.gz	MSQYMQYLIWTAJQ-UHFFFAOYSA-N	-1	3	536.654	3.509	40	70		KHIBHM
Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C(=O)N4CCN(C)CC4)cc3)cc2)c1	ZINC000216831762	571599781	/nfs/dbraw/zinc/59/97/81/571599781.db2.gz	JVEIAFIASVOTMM-UHFFFAOYSA-N	-1	3	536.654	3.509	40	70		KHIBHM
Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C(=O)N4CCN(C)CC4)cc3)cc2)c1	ZINC000216832049	571599751	/nfs/dbraw/zinc/59/97/51/571599751.db2.gz	ULEQPPLCCCKRAV-UHFFFAOYSA-N	-1	3	536.654	3.509	40	70		KHIBHM
CN1CCN(C(=O)c2ccc(NC(=O)COc3ccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)cc3)cc2)CC1	ZINC000216832343	571599794	/nfs/dbraw/zinc/59/97/94/571599794.db2.gz	NWOJZXWONZVMGM-UHFFFAOYSA-N	-1	3	543.045	3.546	40	70		KHIBHM
CN1CCN(C(=O)c2ccc(NC(=O)COc3ccc(S(=O)(=O)[N-]c4ccc(Br)cc4)cc3)cc2)CC1	ZINC000216833419	571600061	/nfs/dbraw/zinc/60/00/61/571600061.db2.gz	KRMMZCDJCZNULR-UHFFFAOYSA-N	-1	3	587.496	3.655	40	70		KHIBHM
CN1CCN(C(=O)c2ccc(NC(=O)COc3ccc(S(=O)(=O)[N-]c4cccc(C(F)(F)F)c4)cc3)cc2)CC1	ZINC000216833567	571600044	/nfs/dbraw/zinc/60/00/44/571600044.db2.gz	RWDUHKJCAARTBZ-UHFFFAOYSA-N	-1	3	576.597	3.911	40	70		KHIBHM
COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C(=O)N4CCN(C)CC4)cc3)cc2)cc1Cl	ZINC000216833719	571599948	/nfs/dbraw/zinc/59/99/48/571599948.db2.gz	LOLQKOCUJZYTDT-UHFFFAOYSA-N	-1	3	573.071	3.555	40	70		KHIBHM
Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C(=O)N4CCN(C)CC4)cc3)cc2)cc1Cl	ZINC000216834016	571599967	/nfs/dbraw/zinc/59/99/67/571599967.db2.gz	KNUYLFYXTSIOKG-UHFFFAOYSA-N	-1	3	557.072	3.854	40	70		KHIBHM
Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C(=O)N4CCN(C)CC4)cc3)c(C)c2)cc1	ZINC000216835011	571600007	/nfs/dbraw/zinc/60/00/07/571600007.db2.gz	BATRDHGLGGBIHH-UHFFFAOYSA-N	-1	3	536.654	3.509	40	70		KHIBHM
Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1	ZINC000216836610	571599978	/nfs/dbraw/zinc/59/99/78/571599978.db2.gz	WHFWWPSXAMWZOA-UHFFFAOYSA-N	-1	3	557.072	3.854	40	70		KHIBHM
CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C(=O)N4CCN(C)CC4)cc3)c(C)c2)cc1	ZINC000216836897	571600282	/nfs/dbraw/zinc/60/02/82/571600282.db2.gz	MECSJTRHNFMULW-UHFFFAOYSA-N	-1	3	566.680	3.600	40	70		KHIBHM
Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C(=O)N4CCN(C)CC4)cc3)c(C)c2)cc1C	ZINC000216837048	571600301	/nfs/dbraw/zinc/60/03/01/571600301.db2.gz	IBGMDUOYDLYYFX-UHFFFAOYSA-N	-1	3	550.681	3.818	40	70		KHIBHM
CN1CCN(C(=O)c2ccc(NC(=O)COc3ccc(S(=O)(=O)[N-]c4ccccc4)cc3Cl)cc2)CC1	ZINC000216838027	571600229	/nfs/dbraw/zinc/60/02/29/571600229.db2.gz	SIXGQRZRDLKQLG-UHFFFAOYSA-N	-1	3	543.045	3.546	40	70		KHIBHM
COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C(=O)N4CCN(C)CC4)cc3)c(Cl)c2)cc1	ZINC000216838439	571600268	/nfs/dbraw/zinc/60/02/68/571600268.db2.gz	DYJMORCYNPDNNY-UHFFFAOYSA-N	-1	3	573.071	3.555	40	70		KHIBHM
CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C(=O)N4CCN(C)CC4)cc3)c(Cl)c2)cc1	ZINC000216838866	571600390	/nfs/dbraw/zinc/60/03/90/571600390.db2.gz	DAWDZXKHGUCTKW-UHFFFAOYSA-N	-1	3	587.098	3.945	40	70		KHIBHM
Cc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)Nc3ccc(C(=O)N4CCN(C)CC4)cc3)cc2)cc1	ZINC000216840179	571600343	/nfs/dbraw/zinc/60/03/43/571600343.db2.gz	RKUUFWWZERKYEG-UHFFFAOYSA-N	-1	3	520.655	3.755	40	70		KHIBHM