smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CON(CCC[NH+](C)C)C(N)=[NH2+]	45324416	168199899	/nfs/dbraw/zinc/19/98/99/168199899.db2.gz	UIOCGQXAAFCVQJ-UHFFFAOYSA-N	2	0	174.248	-0.305	1	0		ABAFRP
NC(=[NH2+])[C@H]1C=CCN1	71294674	169140061	/nfs/dbraw/zinc/14/00/61/169140061.db2.gz	BPWCPNGTHAAMLW-SCSAIBSYSA-N	2	0	111.148	-0.550	1	0		ABAFRP
[NH3+]CCC1([NH3+])CC[NH2+]CC1	3592732	169179045	/nfs/dbraw/zinc/17/90/45/169179045.db2.gz	BXWWSOBWMBQCDV-UHFFFAOYSA-N	3	0	143.234	-0.584	1	0		ABAFRP
NC(=O)C[NH2+]CCCCCC[NH3+]	103217894	169179948	/nfs/dbraw/zinc/17/99/48/169179948.db2.gz	IHPHLKZCRSMOLI-UHFFFAOYSA-N	2	0	173.260	-0.420	1	0		ABAFRP
[NH3+]CCCCNOCCC[NH3+]	1653376	169182003	/nfs/dbraw/zinc/18/20/03/169182003.db2.gz	IKRIUVCDUKCBRQ-UHFFFAOYSA-N	2	0	161.249	-0.405	1	0		ABAFRP
[NH3+]CCCSC[C@H]([NH3+])CO	12504449	169185047	/nfs/dbraw/zinc/18/50/47/169185047.db2.gz	RYOVYWMBACBGOD-ZCFIWIBFSA-N	2	0	164.274	-0.612	1	0	in-vivo	ABAFRP
[NH3+]CCC[C@@H]([NH3+])OP(O)O	28764655	169185379	/nfs/dbraw/zinc/18/53/79/169185379.db2.gz	WNQGZTUHADOIJX-BYPYZUCNSA-N	2	0	168.133	-0.762	1	0		ABAFRP
NC1=[NH+][C@H](CC[NH3+])COCC1	26578203	169194746	/nfs/dbraw/zinc/19/47/46/169194746.db2.gz	ZPHRNAHMHZVACD-ZCFIWIBFSA-N	2	0	157.217	-0.519	1	0	in-vivo	ABAFRP
NC1=[NH+][C@@H](CC[NH3+])COCC1	26578204	169195900	/nfs/dbraw/zinc/19/59/00/169195900.db2.gz	ZPHRNAHMHZVACD-LURJTMIESA-N	2	0	157.217	-0.519	1	0	in-vivo	ABAFRP
[NH3+][C@@H]1CC(O)C[C@H]([NH3+])C1	6761031	560206328	/nfs/dbraw/zinc/20/63/28/560206328.db2.gz	ORKQZIAHTZABIG-XEAPYIEGSA-N	2	0	130.191	-0.814	1	0	in-vitro	ABAFRP