smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCCC[N@@H+](CCCN)C(C)C	ZINC000059094152	188012884	/nfs/dbraw/zinc/01/28/84/188012884.db2.gz	OJOPSDNWSDPWCB-UHFFFAOYSA-N	1	3	214.397	3.016	10	30		BGEEHO
CCCCCCC[N@H+](CCCN)C(C)C	ZINC000059094152	188012883	/nfs/dbraw/zinc/01/28/83/188012883.db2.gz	OJOPSDNWSDPWCB-UHFFFAOYSA-N	1	3	214.397	3.016	10	30		BGEEHO
CCCCCCCCN(CCC(N)=[NH2+])C1CC1	ZINC000088324649	168653165	/nfs/dbraw/zinc/65/31/65/168653165.db2.gz	QDCCFYYLPLYYDU-UHFFFAOYSA-N	1	3	239.407	3.137	10	30		BGEEHO
CCCCCCCCCCN(C)CCC[NH3+]	ZINC000088363140	368910874	/nfs/dbraw/zinc/91/08/74/368910874.db2.gz	GXGXINXPUFISLI-UHFFFAOYSA-N	1	3	228.424	3.408	10	30		BGEEHO
CCCCCCCCCC[N@@H+](C)CCCN	ZINC000088363140	368910872	/nfs/dbraw/zinc/91/08/72/368910872.db2.gz	GXGXINXPUFISLI-UHFFFAOYSA-N	1	3	228.424	3.408	10	30		BGEEHO
CCCCCCCCCC[N@H+](C)CCCN	ZINC000088363140	368910869	/nfs/dbraw/zinc/91/08/69/368910869.db2.gz	GXGXINXPUFISLI-UHFFFAOYSA-N	1	3	228.424	3.408	10	30		BGEEHO
CCCCCCC[NH2+]C[C@@H](C)CN1CCCC1	ZINC000103775381	188323718	/nfs/dbraw/zinc/32/37/18/188323718.db2.gz	DPMWVPDIONCYDK-OAHLLOKOSA-N	1	3	240.435	3.278	10	30		BGEEHO
CCCCCCCCCC[NH2+]C1CCNCC1	ZINC000124777732	590084933	/nfs/dbraw/zinc/08/49/33/590084933.db2.gz	GKZVVMUXCYDZSL-UHFFFAOYSA-N	1	3	240.435	3.469	10	30		BGEEHO