smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCNC(=N)C(=[NH2+])NCCCC	1656010	342954847	/nfs/dbraw/zinc/95/48/47/342954847.db2.gz	AUYAVOMJRPEXGT-UHFFFAOYSA-N	1	3	198.314	1.511	40	30		ADEBHO
CCCCCCC[N+](C)(C)N	1670601	342956013	/nfs/dbraw/zinc/95/60/13/342956013.db2.gz	CTNNTMSZOZJJQB-UHFFFAOYSA-N	1	3	159.297	1.907	40	30		ADEBHO
CC(C)([NH3+])CCC(C)(C)NCCC#N	1725042	166399724	/nfs/dbraw/zinc/39/97/24/166399724.db2.gz	XTSXEWXZRPMWPP-UHFFFAOYSA-N	1	3	197.326	1.786	40	30		ADEBHO
CC[NH+](CC)CCCNCCS	4775706	167168341	/nfs/dbraw/zinc/16/83/41/167168341.db2.gz	IJULKCMXDPHZPY-UHFFFAOYSA-N	1	3	190.356	1.238	40	30		ADEBHO
CCN(CC)CCC[NH2+]CCS	4775706	167168344	/nfs/dbraw/zinc/16/83/44/167168344.db2.gz	IJULKCMXDPHZPY-UHFFFAOYSA-N	1	3	190.356	1.238	40	30		ADEBHO
C[NH+](C)CCCCCCNCCC#N	1683326	342958115	/nfs/dbraw/zinc/95/81/15/342958115.db2.gz	CPLMVDBAKZDFOS-UHFFFAOYSA-N	1	3	197.326	1.612	40	30		ADEBHO
CN(C)Cc1cc(C#CC[NH3+])cs1	43688849	343258936	/nfs/dbraw/zinc/25/89/36/343258936.db2.gz	GDONXDXGFJHMGJ-UHFFFAOYSA-N	1	3	194.303	1.120	40	30		ADEBHO