smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N+](C)(C)CCNC(=O)CC(=O)NCC[N+](C)(C)C	ZINC000002032586	169770154	/nfs/dbraw/zinc/77/01/54/169770154.db2.gz	ZRFNHKXLEKKTTG-UHFFFAOYSA-P	2	0	274.409	-0.979	10	5		CBBERP
[NH3+]CCCC[N+](CCC[NH3+])(CCC[NH3+])CCC[NH3+]	ZINC000013358217	560214866	/nfs/dbraw/zinc/21/48/66/560214866.db2.gz	FMTAVYOBEGHWPT-UHFFFAOYSA-N	5	0	260.450	-0.412	10	5	in-vitro	CBBERP
[NH3+]CCCC[N+](CCC[NH3+])(CCC[NH3+])CCCC[NH3+]	ZINC000013377741	717107802	/nfs/dbraw/zinc/10/78/02/717107802.db2.gz	OXJVIHJPAXKAJM-UHFFFAOYSA-N	5	0	274.477	-0.021	10	5		CBBERP
C[N+](C)(C)CCNC(=O)CCC(=O)NCC[N+](C)(C)C	ZINC000003151461	351311738	/nfs/dbraw/zinc/31/17/38/351311738.db2.gz	STRCEPVKYIFIRY-UHFFFAOYSA-P	2	0	288.436	-0.589	10	5		CBBERP
C[N+]1(CC(O)C[N+]2(C)CCOCC2)CCOCC1	ZINC000040545393	174324647	/nfs/dbraw/zinc/32/46/47/174324647.db2.gz	UXYVSVWAMDMVGZ-UHFFFAOYSA-N	2	0	260.378	-0.699	10	5		CBBERP
C[N+]1(C)CCN(CCN2CC[N+](C)(C)CC2)CC1	ZINC000033883626	717122898	/nfs/dbraw/zinc/12/28/98/717122898.db2.gz	MKONZJUNUXIVNQ-UHFFFAOYSA-N	2	0	256.438	-0.230	10	5		CBBERP
C[n+]1ccccc1C(=O)NCC[N+]1(C)CCOCC1	ZINC000059181819	717131442	/nfs/dbraw/zinc/13/14/42/717131442.db2.gz	BZHJBVRLOCIACY-UHFFFAOYSA-O	2	0	265.357	-0.282	10	5		CBBERP
C[n+]1ccc(C(=O)NCC[N+]2(C)CCOCC2)cc1	ZINC000059181817	717131398	/nfs/dbraw/zinc/13/13/98/717131398.db2.gz	YGYUKLMYLOETKK-UHFFFAOYSA-O	2	0	265.357	-0.282	10	5		CBBERP
C[N+]1(CCOCC[N+]2(C)CCOCC2)CCOCC1	ZINC000006068275	170173670	/nfs/dbraw/zinc/17/36/70/170173670.db2.gz	GVTFHYUNPGHZSN-UHFFFAOYSA-N	2	0	274.405	-0.043	10	5		CBBERP