smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1	ZINC000216843434	568468154	/nfs/dbraw/zinc/46/81/54/568468154.db2.gz	FXJLMPLGDWXULI-UHFFFAOYSA-N	1	2	407.452	-0.440	40	70		HBIBLO
Cc1ccc(C(=O)NCCN2CCOCC2)cc1S(=O)(=O)N1CC[NH+](C)CC1	ZINC000216857646	568468529	/nfs/dbraw/zinc/46/85/29/568468529.db2.gz	JYQDXADDTTVNQS-UHFFFAOYSA-N	1	2	410.540	-0.007	40	70		HBIBLO
Cc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1C(=O)NCCN1CCOCC1	ZINC000216863800	568468665	/nfs/dbraw/zinc/46/86/65/568468665.db2.gz	MLUZSAHLKMHHGE-UHFFFAOYSA-N	1	2	410.540	-0.007	40	70		HBIBLO
C[NH+]1CCN(S(=O)(=O)Cc2ccc(C(=O)NCCN3CCOCC3)cc2)CC1	ZINC000216886390	568469091	/nfs/dbraw/zinc/46/90/91/568469091.db2.gz	PQWIENYQOOGGJM-UHFFFAOYSA-N	1	2	410.540	-0.174	40	70		HBIBLO