smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[NH+](CC)CCS(=O)(=O)CCC(=O)NCNC(=O)CCS(=O)(=O)CC[NH+](CC)CC	ZINC000004064087	194373953	/nfs/dbraw/zinc/37/39/53/194373953.db2.gz	JFCBTPJUHPOKPO-UHFFFAOYSA-N	2	2	484.685	-0.530	50	0		JBAALP
C[NH+]1CCN(C(=O)CN(CC(=O)N2CC[NH+](C)CC2)S(=O)(=O)c2ccc(Cl)cc2)CC1	ZINC000016488527	523873269	/nfs/dbraw/zinc/87/32/69/523873269.db2.gz	FMLACDAYTZXBQY-UHFFFAOYSA-N	2	2	472.011	-0.121	50	0		JBAALP
S=C(NCCC[NH+]1CCOCC1)N1CCN(C(=S)NCCC[NH+]2CCOCC2)CC1	ZINC000020223396	555717719	/nfs/dbraw/zinc/71/77/19/555717719.db2.gz	RHIYPQJTSZCRJZ-UHFFFAOYSA-N	2	2	458.698	-0.202	50	0		JBAALP