smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CO[N-]C(=O)[C@@](C)(C#N)CC(=O)[O-]	820749715	582692087	/nfs/dbraw/zinc/69/20/87/582692087.db2.gz	WWSWIDMSCOJIPB-SSDOTTSWSA-N	-2	0	186.167	-0.331	20	30		ABEDRL
CO[N-]C(=O)[C@](C)(C#N)CC(=O)[O-]	820749716	582692485	/nfs/dbraw/zinc/69/24/85/582692485.db2.gz	WWSWIDMSCOJIPB-ZETCQYMHSA-N	-2	0	186.167	-0.331	20	30		ABEDRL
C#CCO[N-]C(=O)C1(C(=O)[O-])CC1	379418853	951165778	/nfs/dbraw/zinc/16/57/78/951165778.db2.gz	WWNPMNGXNWHBPP-UHFFFAOYSA-N	-2	0	183.163	-0.468	20	30		ABEDRL
C#CCO[N-]C(=O)[C@@H](C(=O)[O-])C1CC1	1588430392	958254752	/nfs/dbraw/zinc/25/47/52/958254752.db2.gz	BSFIHEOORBFRNI-ZETCQYMHSA-N	-2	0	197.190	-0.222	20	30		ABEDRL
C#CCO[N-]C(=O)[C@H](C(=O)[O-])C1CC1	1588430389	958255413	/nfs/dbraw/zinc/25/54/13/958255413.db2.gz	BSFIHEOORBFRNI-SSDOTTSWSA-N	-2	0	197.190	-0.222	20	30		ABEDRL
C=C(C)CO[N-]C(=O)C(=O)[O-]	1588439741	958323367	/nfs/dbraw/zinc/32/33/67/958323367.db2.gz	GDURBQSLKIXQCN-UHFFFAOYSA-N	-2	0	159.141	-0.305	20	30		ABEDRL
C=CCO[N-]C(=O)CNC(=O)[O-]	1573368247	963076267	/nfs/dbraw/zinc/07/62/67/963076267.db2.gz	CHUNAADVKVDEIF-UHFFFAOYSA-N	-2	0	174.156	-0.512	20	30		ABEDRL
C#CCO[N-]C(=O)[C@]1(C(=O)[O-])C[C@H]1C	1602702216	971330501	/nfs/dbraw/zinc/33/05/01/971330501.db2.gz	LVSZKCPLBAETKV-MUWHJKNJSA-N	-2	0	197.190	-0.222	20	30		ABEDRL
C=CCO[N-]C(=O)COCC(=O)[O-]	387360190	972119301	/nfs/dbraw/zinc/11/93/01/972119301.db2.gz	UPAKSFDYEMUEKF-UHFFFAOYSA-N	-2	0	189.167	-0.679	20	30		ABEDRL
C#CCn1[n-]cc(CC(=O)[O-])c1=O	1602720373	1170780394	/nfs/dbraw/zinc/78/03/94/1170780394.db2.gz	PILYQZTXSPXVLF-LURJTMIESA-N	-2	0	180.163	-0.462	20	30		ABEDRL
C#CCn1[n-]c(C)c(CC(=O)[O-])c1=O	1602719747	1170781143	/nfs/dbraw/zinc/78/11/43/1170781143.db2.gz	DCFIROPALCDOCA-ZETCQYMHSA-N	-2	0	194.190	-0.071	20	30		ABEDRL
C#CCn1[n-]c(C)c(CC(=O)[O-])c1=O	1602719746	1170782079	/nfs/dbraw/zinc/78/20/79/1170782079.db2.gz	DCFIROPALCDOCA-SSDOTTSWSA-N	-2	0	194.190	-0.071	20	30		ABEDRL
C#CCn1[n-]cc(CC(=O)[O-])c1=O	1602720374	1170783112	/nfs/dbraw/zinc/78/31/12/1170783112.db2.gz	PILYQZTXSPXVLF-ZCFIWIBFSA-N	-2	0	180.163	-0.462	20	30		ABEDRL