smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1S(=O)(=O)N1CC[NH+](C)CC1	ZINC000216785549	557153934	/nfs/dbraw/zinc/15/39/34/557153934.db2.gz	UDNQKGHYPIRDSN-UHFFFAOYSA-N	1	2	432.502	0.983	40	70		ICIBLO
COc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1C(=O)Nc1ccc(C(N)=O)cc1	ZINC000216788560	557154262	/nfs/dbraw/zinc/15/42/62/557154262.db2.gz	BUIWMVMVFUWIQU-UHFFFAOYSA-N	1	2	432.502	0.983	40	70		ICIBLO
CNS(=O)(=O)c1cc(C(=O)Nc2ccc(C(N)=O)cc2)ccc1N1CC[NH+](C)CC1	ZINC000216791685	557154620	/nfs/dbraw/zinc/15/46/20/557154620.db2.gz	ABTSRNYQCXSPSJ-UHFFFAOYSA-N	1	2	431.518	0.698	40	70		ICIBLO
CCOC(=O)N1CCN(C(=O)c2ccc(C)c(S(=O)(=O)N3CC[NH+](C)CC3)c2)CC1	ZINC000216854999	557157805	/nfs/dbraw/zinc/15/78/05/557157805.db2.gz	XTXFSPYBBRCSBW-UHFFFAOYSA-N	1	2	438.550	0.845	40	70		ICIBLO
CCOC(=O)N1CCN(C(=O)c2cc(S(=O)(=O)N3CC[NH+](C)CC3)ccc2C)CC1	ZINC000216861569	557158626	/nfs/dbraw/zinc/15/86/26/557158626.db2.gz	IAYGOTKCWSYGMD-UHFFFAOYSA-N	1	2	438.550	0.845	40	70		ICIBLO
C[NH+]1CCN(S(=O)(=O)c2cc(C(=O)N3CCC(C(N)=O)CC3)ccc2Cl)CC1	ZINC000216870645	557160445	/nfs/dbraw/zinc/16/04/45/557160445.db2.gz	QNSWARPBCSUQKM-UHFFFAOYSA-N	1	2	428.942	0.614	40	70		ICIBLO
C[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)N3CCC(C(N)=O)CC3)c2)CC1	ZINC000216877564	557160787	/nfs/dbraw/zinc/16/07/87/557160787.db2.gz	ZJYCGTXBCTYSFX-UHFFFAOYSA-N	1	2	428.942	0.614	40	70		ICIBLO
C[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NCCN3CCOCC3)c2)CC1	ZINC000216878961	557160752	/nfs/dbraw/zinc/16/07/52/557160752.db2.gz	HFTKBCGHBKFYJD-UHFFFAOYSA-N	1	2	430.958	0.338	40	70		ICIBLO