smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC[NH+]1CCC([NH2+]CC(CC)(CC)CCC#N)CC1	ZINC000032541550	1127941713	/nfs/dbraw/zinc/94/17/13/1127941713.db2.gz	AIFMRKXIFVLKKJ-UHFFFAOYSA-N	2	0	279.472	3.561	50	30		CHEARP
C[NH+]1CCC(C)(C[NH2+]CC2(CCC#N)CCCCC2)CC1	ZINC000585118135	1131307218	/nfs/dbraw/zinc/30/72/18/1131307218.db2.gz	DCAQZFPNVKLEAS-UHFFFAOYSA-N	2	0	291.483	3.562	50	30		CHEARP
CCCN(CC#Cc1ccccc1)Cc1[nH]c(CC)nc1C	ZINC000055413418	566869479	/nfs/dbraw/zinc/86/94/79/566869479.db2.gz	WMRUPTXJWCTDFU-UHFFFAOYSA-N	2	0	295.430	3.544	50	30		CHEARP
CCCCCCCCCCCCN(CCC[NH3+])CCC[NH3+]	ZINC000095803226	185027749	/nfs/dbraw/zinc/02/77/49/185027749.db2.gz	NYNKJVPRTLBJNQ-UHFFFAOYSA-N	2	0	299.547	3.907	50	30		CHEARP
C[N+]1=C(C=CC=CC=C[NH+](C)C)C(C)(C)c2ccccc21	ZINC000015961432	566930807	/nfs/dbraw/zinc/93/08/07/566930807.db2.gz	BKLFNFFYHHGTTQ-UHFFFAOYSA-N	2	0	281.423	3.753	50	30		CHEARP
C[NH+](C)C=CC=CC=C1CC[n+]2c3ccccc3sc21	ZINC000223494226	570371468	/nfs/dbraw/zinc/37/14/68/570371468.db2.gz	IIVICQVIIULVNC-UHFFFAOYSA-N	2	0	283.420	3.669	50	30		CHEARP