smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CC[N@@H+](C)CC1CC[NH2+]CC1	86702772	486882733	/nfs/dbraw/zinc/88/27/33/486882733.db2.gz	UULNUXZVLYTHQZ-UHFFFAOYSA-N	2	0	168.284	1.104	50	30		ADEARP
C[N+](C)(C)CCC#CCC[N+](C)(C)C	5696876	343006725	/nfs/dbraw/zinc/00/67/25/343006725.db2.gz	NUMKPIGUWVEXMK-UHFFFAOYSA-N	2	0	198.354	1.182	50	30		ADEARP
CC(C)[NH+](CC#CC[NH3+])C(C)C	75172904	343576038	/nfs/dbraw/zinc/57/60/38/343576038.db2.gz	KUCWBDYXZADOJG-UHFFFAOYSA-N	2	0	168.284	1.067	50	30		ADEARP
C(#CC[NH+]1CCCC1)C[NH+]1CCCC1	1599821	166044100	/nfs/dbraw/zinc/04/41/00/166044100.db2.gz	JSUAJTLKVREZHV-UHFFFAOYSA-N	2	0	192.306	1.181	50	30	in-vitro	ADEARP
CC(=[NH2+])NCc1cccc(C[NH3+])c1	3870614	166057571	/nfs/dbraw/zinc/05/75/71/166057571.db2.gz	RODUKNYOEVZQPR-UHFFFAOYSA-N	2	0	177.251	1.022	50	30	in-vivo	ADEARP
C=CC[NH+](CC=C)CC1CC[NH2+]CC1	21949552	166173520	/nfs/dbraw/zinc/17/35/20/166173520.db2.gz	LFUILODWQYVZIL-UHFFFAOYSA-N	2	0	194.322	1.660	50	30		ADEARP
CC(/C=C/[NH+](C)C)=C\C=[N+](C)C	16136511	171167526	/nfs/dbraw/zinc/16/75/26/171167526.db2.gz	JPSSBNYRQGFIBI-UHFFFAOYSA-N	2	0	167.276	1.351	50	30		ADEARP
C[N@H+](CC#CC[NH3+])Cc1ccccc1	75172913	343576096	/nfs/dbraw/zinc/57/60/96/343576096.db2.gz	OUCCNZVLAMGCDV-UHFFFAOYSA-N	2	0	188.274	1.081	50	30		ADEARP
CCCCCCC[NH2+]CCC[NH3+]	100016234	343708759	/nfs/dbraw/zinc/70/87/59/343708759.db2.gz	UHXUEZPLIAEIMQ-UHFFFAOYSA-N	2	0	172.316	1.895	50	30		ADEARP