smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCCCCCO[C@@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1[NH3+]	ZINC000095552063	185379106	/nfs/dbraw/zinc/37/91/06/185379106.db2.gz	WKAQFLWIVFXKDW-UJOWSUJOSA-N	1	0	305.415	-0.093	1	30		DBEFRO
C[S@@+](CCSCC[C@H]([NH3+])C(=O)[O-])CC[C@H]([NH3+])C(=O)[O-]	ZINC000095555997	185379686	/nfs/dbraw/zinc/37/96/86/185379686.db2.gz	XFEYVSMONWZSHZ-OWXODZSWSA-O	1	0	311.449	-0.428	1	30		DBEFRO
CSCC[C@@H]([NH3+])C(=O)NC(CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000100387552	574418016	/nfs/dbraw/zinc/41/80/16/574418016.db2.gz	OQGMCJRIELLXLY-SSDOTTSWSA-N	1	0	305.404	-0.478	1	30	endogenous,in-vitro	DBEFRO
C[S@+](CCSCC[C@H]([NH3+])C(=O)[O-])CC[C@H]([NH3+])C(=O)[O-]	ZINC000095555996	185379809	/nfs/dbraw/zinc/37/98/09/185379809.db2.gz	XFEYVSMONWZSHZ-OCCIGCLGSA-O	1	0	311.449	-0.428	1	30		DBEFRO
CC[C@]1(C(=O)OC)[C@H]2C(=O)N(C)C(=O)[C@H]2[C@H]2CN(C)/C(=[NH+]\C)N21	ZINC000061942252	184197407	/nfs/dbraw/zinc/19/74/07/184197407.db2.gz	FGADAGZAGHUKHZ-UHKUEQQVSA-N	1	0	322.365	-0.845	3	30		DBEFRO
N#Cc1c(CN[C@H](c2c[nH]cn2)C2CC[NH2+]CC2)no[n+]1[O-]	ZINC000040424024	183065044	/nfs/dbraw/zinc/06/50/44/183065044.db2.gz	UXAFBWQGRAUHKN-ZDUSSCGKSA-N	1	0	303.326	-0.267	1	30		DBEFRO
CC(C)[C@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)CS)C(N)=O	ZINC000049049816	183706566	/nfs/dbraw/zinc/70/65/66/183706566.db2.gz	GDWGBJHSJGYDFB-ONGXEEELSA-N	1	0	318.443	-0.844	1	30		DBEFRO
CCCCCCCCNC1=[NH+]C[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)N12	ZINC000058649970	184126025	/nfs/dbraw/zinc/12/60/25/184126025.db2.gz	DGGJYTDCPYQDLL-RKQHYHRCSA-N	1	0	315.414	-0.609	1	30	in-vitro	DBEFRO
CSCC[C@H]([NH3+])C(=O)NC(CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000100387554	571808513	/nfs/dbraw/zinc/80/85/13/571808513.db2.gz	OQGMCJRIELLXLY-ZETCQYMHSA-N	1	0	305.404	-0.478	1	30	endogenous,in-vitro	DBEFRO
CCCCCCCCNC1=[NH+]C[C@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)N12	ZINC000095585925	185381529	/nfs/dbraw/zinc/38/15/29/185381529.db2.gz	DGGJYTDCPYQDLL-MEBFFEOJSA-N	1	0	315.414	-0.609	1	30		DBEFRO
C[NH+]1CCN(CCNC(=O)c2ccc(C(=O)NO)cc2)CC1	ZINC000095586242	185381577	/nfs/dbraw/zinc/38/15/77/185381577.db2.gz	LTGGLOIVZJRPDI-UHFFFAOYSA-N	1	0	306.366	-0.217	1	30		DBEFRO
CSCCC(NC(=O)[C@H]([NH3+])CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000100385954	571803998	/nfs/dbraw/zinc/80/39/98/571803998.db2.gz	NQWBVGISPQJUFC-SSDOTTSWSA-N	1	0	305.404	-0.478	1	30	endogenous,in-vitro	DBEFRO
N#Cc1c(CN[C@@H](c2c[nH]cn2)C2CC[NH2+]CC2)no[n+]1[O-]	ZINC000040424023	183065093	/nfs/dbraw/zinc/06/50/93/183065093.db2.gz	UXAFBWQGRAUHKN-CYBMUJFWSA-N	1	0	303.326	-0.267	1	30		DBEFRO
CSCCC(NC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000100385955	574417369	/nfs/dbraw/zinc/41/73/69/574417369.db2.gz	NQWBVGISPQJUFC-ZETCQYMHSA-N	1	0	305.404	-0.478	1	30	endogenous,in-vitro	DBEFRO
CCN(CC#N)C(=O)[C@@H]1C[C@H](C(=O)N2CCOCC2)[C@H](C)[NH2+]1	ZINC000029064182	581095112	/nfs/dbraw/zinc/09/51/12/581095112.db2.gz	JRJAUQDTLMHZTO-AVGNSLFASA-N	1	0	308.382	-0.416	1	30		DBEFRO
CCN1C[C@@H]2[C@@H]3C(=O)N(C)C(=O)[C@@H]3[C@](C)(C(=O)OC)N2/C1=[NH+]/C	ZINC000102884984	185424669	/nfs/dbraw/zinc/42/46/69/185424669.db2.gz	BZAHIRFDMPIELY-UHKUEQQVSA-N	1	0	322.365	-0.845	3	30		DBEFRO
C[n+]1c(/C=N/[O-])cccc1CCO[n+]1ccc(C(N)=O)cc1	ZINC000026288611	182436873	/nfs/dbraw/zinc/43/68/73/182436873.db2.gz	ODFXUAQKTBQBTK-UHFFFAOYSA-P	1	0	302.334	-0.623	1	30		DBEFRO