smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C1[NH2+][C@@H]2CN[C@H]1N2	40980760	166108589	/nfs/dbraw/zinc/10/85/89/166108589.db2.gz	ADTOVHJRTOIPHI-IMJSIDKUSA-N	1	2	99.137	-1.565	1	0		AAAFLO
C1N[C@H]2C[NH2+][C@@H]1N2	40980761	166110187	/nfs/dbraw/zinc/11/01/87/166110187.db2.gz	ADTOVHJRTOIPHI-QWWZWVQMSA-N	1	2	99.137	-1.565	1	0		AAAFLO
CN[C@@H]([NH3+])NCCC[C@H]([NH3+])C(=O)[O-]	29551061	168038707	/nfs/dbraw/zinc/03/87/07/168038707.db2.gz	SMONFGYPYKQOSJ-CAHLUQPWSA-N	1	2	190.247	-1.770	1	0		AAAFLO
CN[C@@H]([NH3+])NCCC[C@@H]([NH3+])C(=O)[O-]	29551054	168038999	/nfs/dbraw/zinc/03/89/99/168038999.db2.gz	SMONFGYPYKQOSJ-IYSWYEEDSA-N	1	2	190.247	-1.770	1	0		AAAFLO
CN[C@H]([NH3+])NCCC[C@@H]([NH3+])C(=O)[O-]	29551058	168055441	/nfs/dbraw/zinc/05/54/41/168055441.db2.gz	SMONFGYPYKQOSJ-VDTYLAMSSA-N	1	2	190.247	-1.770	1	0		AAAFLO
CN[C@H]([NH3+])NCCC[C@H]([NH3+])C(=O)[O-]	29551063	168055997	/nfs/dbraw/zinc/05/59/97/168055997.db2.gz	SMONFGYPYKQOSJ-FSPLSTOPSA-N	1	2	190.247	-1.770	1	0		AAAFLO
CSC1=N[C@H](C(N)=O)[C@@H]([NH3+])N1C	73310847	168297980	/nfs/dbraw/zinc/29/79/80/168297980.db2.gz	DRKDLJXEVBDUMO-IMJSIDKUSA-N	1	2	188.256	-1.211	1	0		AAAFLO
CSC1=N[C@@H](C(N)=O)[C@H]([NH3+])N1C	73310845	168298224	/nfs/dbraw/zinc/29/82/24/168298224.db2.gz	DRKDLJXEVBDUMO-QWWZWVQMSA-N	1	2	188.256	-1.211	1	0		AAAFLO
CSC1=N[C@H](C(N)=O)[C@H]([NH3+])N1C	73310849	168298342	/nfs/dbraw/zinc/29/83/42/168298342.db2.gz	DRKDLJXEVBDUMO-IUYQGCFVSA-N	1	2	188.256	-1.211	1	0		AAAFLO
CSC1=N[C@@H](C(N)=O)[C@@H]([NH3+])N1C	73310844	168299044	/nfs/dbraw/zinc/29/90/44/168299044.db2.gz	DRKDLJXEVBDUMO-DMTCNVIQSA-N	1	2	188.256	-1.211	1	0		AAAFLO
[NH3+]C1NC=CN1	100860368	169174050	/nfs/dbraw/zinc/17/40/50/169174050.db2.gz	QLHSRYWQIMHHEA-UHFFFAOYSA-N	1	2	85.110	-1.107	1	0		AAAFLO
[NH3+][C@@H](Cc1cnc[nH]1)C(=O)CO	169321754	169247943	/nfs/dbraw/zinc/24/79/43/169247943.db2.gz	WCOLXSNPWKVRIZ-LURJTMIESA-N	1	2	169.184	-1.159	1	0		AAAFLO
Nc1cnc(C(=O)NC(N)[NH3+])c(N)n1	29395607	169301727	/nfs/dbraw/zinc/30/17/27/169301727.db2.gz	KBQGFKKZNPZDKQ-UHFFFAOYSA-N	1	2	197.202	-2.428	1	0		AAAFLO
Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)[O-]	141047228	171159756	/nfs/dbraw/zinc/15/97/56/171159756.db2.gz	JDHILDINMRGULE-LURJTMIESA-O	1	2	170.192	-1.206	1	0		AAAFLO