smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH3+]CCC1([N+](=O)[O-])CC[NH2+]CC1	1857371	169179329	/nfs/dbraw/zinc/17/93/29/169179329.db2.gz	UBSKSXOMDOYLQM-UHFFFAOYSA-N	2	0	173.216	-0.266	40	5	in-vitro	ABBBRP
C[N+](C)([NH3+])CCC[N+](C)(C)[NH3+]	1691446	171000838	/nfs/dbraw/zinc/00/08/38/171000838.db2.gz	QTEHRLBEFQGPKD-UHFFFAOYSA-N	3	0	162.281	-0.723	40	5	in-vitro	ABBBRP
CC[N+](C)(C)[NH3+]	1670602	342956526	/nfs/dbraw/zinc/95/65/26/342956526.db2.gz	WBWIUGQOOVEZOT-UHFFFAOYSA-N	2	0	89.162	-0.044	40	5		ABBBRP
C[N+](C)(C)CCOC(=O)CCC[NH3+]	1677398	342957197	/nfs/dbraw/zinc/95/71/97/342957197.db2.gz	OOIACSCGKZSYOU-UHFFFAOYSA-N	2	0	189.279	-0.025	40	5		ABBBRP
CC(CC[NH3+])(CC[NH3+])[N+](=O)[O-]	1706479	342960843	/nfs/dbraw/zinc/96/08/43/342960843.db2.gz	MYHHVTMSAVBSOB-UHFFFAOYSA-N	2	0	161.205	-0.281	40	5	in-vitro	ABBBRP
C[N+]1([NH3+])CCOCC1	1564255	571775976	/nfs/dbraw/zinc/77/59/76/571775976.db2.gz	ISVBKDLTMQSOQQ-UHFFFAOYSA-N	2	0	117.172	-0.663	40	5		ABBBRP