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+]1(C)CC[N+](C)(C)CC1	1691454	171000809	/nfs/dbraw/zinc/00/08/09/171000809.db2.gz	RONLMHFJDWTADA-UHFFFAOYSA-N	2	0	144.262	0.153	50	5		ACBARP
C[N+]12CC[N+](F)(CC1)CC2	34408661	171054694	/nfs/dbraw/zinc/05/46/94/171054694.db2.gz	VBTIMLKMNBJEDE-UHFFFAOYSA-N	2	0	146.209	0.162	50	5		ACBARP
C[N+]12CCC[N+](C)(CC1)CC2	398430	171206975	/nfs/dbraw/zinc/20/69/75/171206975.db2.gz	IVMGQUJOPLETFT-UHFFFAOYSA-N	2	0	156.273	0.297	50	5		ACBARP
C[N+](C)(C)CCOCC[N+](C)(C)C	1681601	342958102	/nfs/dbraw/zinc/95/81/02/342958102.db2.gz	KPHDYWYZFFBBNH-UHFFFAOYSA-N	2	0	190.331	0.415	50	5		ACBARP
C[N+](C)(C)CC[N+](C)(C)C	1720067	342961879	/nfs/dbraw/zinc/96/18/79/342961879.db2.gz	YIXVXFVKVAPMDM-UHFFFAOYSA-N	2	0	146.278	0.399	50	5		ACBARP
C[N+](C)(C)C[C@@H](O)C[NH+]1CCCC1	71785200	343558033	/nfs/dbraw/zinc/55/80/33/343558033.db2.gz	HNQDLNHTCKAABT-JTQLQIEISA-N	2	0	187.307	0.149	50	5		ACBARP
C[N+](C)(C)C[C@H](O)C[NH+]1CCCC1	71785199	343558047	/nfs/dbraw/zinc/55/80/47/343558047.db2.gz	HNQDLNHTCKAABT-SNVBAGLBSA-N	2	0	187.307	0.149	50	5		ACBARP
C[N+](C)(C)CCC[NH3+]	95884075	343689198	/nfs/dbraw/zinc/68/91/98/343689198.db2.gz	PTTKEPPCFIOMEC-UHFFFAOYSA-N	2	0	117.216	0.041	50	5	in-vitro	ACBARP
C[N+](C)(C)CCCC[NH3+]	165714412	344267803	/nfs/dbraw/zinc/26/78/03/344267803.db2.gz	ZKAYSPBLMLQVAS-UHFFFAOYSA-N	2	0	131.243	0.432	50	5		ACBARP
C[N+](C)(C)CC[N+]1(C)CCCC1	390834926	525358312	/nfs/dbraw/zinc/35/83/12/525358312.db2.gz	SODRXEGDKXQAHE-UHFFFAOYSA-N	2	0	172.316	0.933	50	5		ACBARP