smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH2+]=C1NCN(c2ccccn2)C(=[NH2+])N1	28129362	132187025	/nfs/dbraw/zinc/18/70/25/132187025.db2.gz	GZQALGTXYFNZEV-UHFFFAOYSA-N	2	2	190.210	-0.512	1	0		ABAFLP
CC1[N+](C)=CC=[N+]1C	28225015	166753603	/nfs/dbraw/zinc/75/36/03/166753603.db2.gz	UYGQHAMYEGDDJL-UHFFFAOYSA-N	2	2	112.176	-0.228	1	0		ABAFLP
C[C@@H](CO)[NH2+]CC[NH2+][C@H](C)[C@@H](C)O	29223152	168350482	/nfs/dbraw/zinc/35/04/82/168350482.db2.gz	PGVOELKTVXJLNQ-DJLDLDEBSA-N	2	2	190.287	-0.684	1	0		ABAFLP
C[C@@H](CO)[NH2+]CC[NH2+][C@@H](C)[C@H](C)O	29223166	168350862	/nfs/dbraw/zinc/35/08/62/168350862.db2.gz	PGVOELKTVXJLNQ-CIUDSAMLSA-N	2	2	190.287	-0.684	1	0		ABAFLP
C[C@@H](CO)[NH2+]CC[NH2+][C@H](C)[C@H](C)O	29223157	168351260	/nfs/dbraw/zinc/35/12/60/168351260.db2.gz	PGVOELKTVXJLNQ-YIZRAAEISA-N	2	2	190.287	-0.684	1	0		ABAFLP
C[C@@H](CO)[NH2+]CC[NH2+][C@@H](C)[C@@H](C)O	29223162	168351443	/nfs/dbraw/zinc/35/14/43/168351443.db2.gz	PGVOELKTVXJLNQ-XHNCKOQMSA-N	2	2	190.287	-0.684	1	0		ABAFLP
NC(=[NH2+])[C@@H]1C=CC[NH2+]1	71294675	169138884	/nfs/dbraw/zinc/13/88/84/169138884.db2.gz	BPWCPNGTHAAMLW-BYPYZUCNSA-N	2	2	111.148	-0.550	1	0		ABAFLP
NC(=[NH2+])[C@H]1C=CC[NH2+]1	71294674	169140063	/nfs/dbraw/zinc/14/00/63/169140063.db2.gz	BPWCPNGTHAAMLW-SCSAIBSYSA-N	2	2	111.148	-0.550	1	0		ABAFLP
[NH2+]=CC[NH3+]	14880231	169144724	/nfs/dbraw/zinc/14/47/24/169144724.db2.gz	AXQVKDQRBAXYBP-UHFFFAOYSA-N	2	2	58.084	-0.405	1	0	in-vivo	ABAFLP
NC([NH3+])NCCCCCCC[NH3+]	19331254	169180959	/nfs/dbraw/zinc/18/09/59/169180959.db2.gz	SKGAVCHIFDRDTK-UHFFFAOYSA-N	2	2	174.292	-0.314	1	0	investigational	ABAFLP