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)([NH3+])/C=C/C[N+](C)(C)[NH3+]	5723782	171017929	/nfs/dbraw/zinc/01/79/29/171017929.db2.gz	MWSDAAHWKHFZSD-AATRIKPKSA-N	4	0	160.265	-0.600	10	5		ABBERP
C[NH2+]CC[N+](C)(C)C	34246188	343114554	/nfs/dbraw/zinc/11/45/54/343114554.db2.gz	YCODFDNOIPXYRI-UHFFFAOYSA-N	2	0	117.216	-0.088	10	5		ABBERP
C[N+](C)([NH3+])/C=C\C[N+](C)(C)[NH3+]	33892354	717123596	/nfs/dbraw/zinc/12/35/96/717123596.db2.gz	MWSDAAHWKHFZSD-WAYWQWQTSA-N	4	0	160.265	-0.600	10	5		ABBERP
CC[N+]([NH3+])(CC)CCC(N)=O	39136656	717126792	/nfs/dbraw/zinc/12/67/92/717126792.db2.gz	ITMCKKIRKIPTFF-UHFFFAOYSA-O	2	0	160.241	-0.408	10	5		ABBERP
CN(C)CC[N+](C)(C)CC[NH3+]	140509580	717151873	/nfs/dbraw/zinc/15/18/73/717151873.db2.gz	DWBINSPLUFALEE-UHFFFAOYSA-N	2	0	160.285	-0.417	10	5		ABBERP
C[N+](C)(C)C[C@@H](O)C[NH3+]	205341845	717159686	/nfs/dbraw/zinc/15/96/86/717159686.db2.gz	WEANJPSXIRYJTL-LURJTMIESA-N	2	0	133.215	-0.988	10	5		ABBERP
C[N+](C)(C)C[C@H](O)C[NH3+]	205341836	717159839	/nfs/dbraw/zinc/15/98/39/717159839.db2.gz	WEANJPSXIRYJTL-ZCFIWIBFSA-N	2	0	133.215	-0.988	10	5		ABBERP
C[N+](C)(C)CCC(=O)C[NH3+]	238484003	573703721	/nfs/dbraw/zinc/70/37/21/573703721.db2.gz	AXBIZKAQDDENNZ-UHFFFAOYSA-N	2	0	145.226	-0.390	10	5		ABBERP
C[N+](C)(C)C[C@@H](O)CC[NH3+]	33639838	572027719	/nfs/dbraw/zinc/02/77/19/572027719.db2.gz	ZWVAFZQYCAOXMI-ZETCQYMHSA-N	2	0	147.242	-0.598	10	5		ABBERP
C[N+](C)(C)C[C@H](O)CC[NH3+]	33639837	572028134	/nfs/dbraw/zinc/02/81/34/572028134.db2.gz	ZWVAFZQYCAOXMI-SSDOTTSWSA-N	2	0	147.242	-0.598	10	5		ABBERP
C[N+](C)(C)CC[NH2+]CCO	114279237	573069536	/nfs/dbraw/zinc/06/95/36/573069536.db2.gz	PZOZJBCPUXTHFE-UHFFFAOYSA-N	2	0	147.242	-0.726	10	5		ABBERP
C[N+](C)(C)CCNCC[NH3+]	142653388	573459047	/nfs/dbraw/zinc/45/90/47/573459047.db2.gz	VKMGSBNIKWFPMD-UHFFFAOYSA-N	2	0	146.258	-0.759	10	5		ABBERP