smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)[C@H](CS)NC(=O)CC[C@H](NC(=O)C(F)(F)F)C(=O)OC	ZINC000004352770	483410246	/nfs/dbraw/zinc/41/02/46/483410246.db2.gz	PFXPTRCYPGFZAZ-BQBZGAKWSA-N	0	1	374.337	-0.426	10	30		FBEEMN
C[C@H]1OC(=O)C2=C1CS[C@@H](CNC(=O)/C(=N\[O-])c1csc(N)[nH+]1)N2	ZINC000103530401	222337931	/nfs/dbraw/zinc/33/79/31/222337931.db2.gz	PPVBFUWHFJBAJX-FSAZWOEISA-N	0	1	369.428	-0.118	10	30	in-vitro	FBEEMN
C[C@@H]1OC(=O)C2=C1CS[C@@H](CNC(=O)/C(=N\[O-])c1csc(N)[nH+]1)N2	ZINC000103530405	222338889	/nfs/dbraw/zinc/33/88/89/222338889.db2.gz	PPVBFUWHFJBAJX-VKQKYYFBSA-N	0	1	369.428	-0.118	10	30	in-vitro	FBEEMN
C[C@H]1OC(=O)C2=C1CS[C@H](CNC(=O)/C(=N\[O-])c1csc(N)[nH+]1)N2	ZINC000103530410	222337928	/nfs/dbraw/zinc/33/79/28/222337928.db2.gz	PPVBFUWHFJBAJX-QUXKVXMGSA-N	0	1	369.428	-0.118	10	30	in-vitro	FBEEMN
C[C@@H]1OC(=O)C2=C1CS[C@H](CNC(=O)/C(=N\[O-])c1csc(N)[nH+]1)N2	ZINC000103530414	209253893	/nfs/dbraw/zinc/25/38/93/209253893.db2.gz	PPVBFUWHFJBAJX-GTGKNRNPSA-N	0	1	369.428	-0.118	10	30	in-vitro	FBEEMN
CNC(=O)[C@H](NCC(=O)N1CCN(c2oc(C)nc2C#N)CC1)C(C)C	ZINC000183689116	483558762	/nfs/dbraw/zinc/55/87/62/483558762.db2.gz	NPIVHTOVCHUBQJ-OAHLLOKOSA-N	0	1	362.434	-0.137	10	30		FBEEMN
C=CCN1C(=O)C(=O)N(CC(=O)NC2CC([N@@H+](CC)CC(=O)[O-])C2)C1=O	ZINC000262685448	484948240	/nfs/dbraw/zinc/94/82/40/484948240.db2.gz	AGECQNWLWAQWEK-UHFFFAOYSA-N	0	1	366.374	-0.983	10	30		FBEEMN
Cn1c(NC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)c(C#N)c(=O)n(C)c1=O	ZINC000263562097	243352758	/nfs/dbraw/zinc/35/27/58/243352758.db2.gz	SLYYSFCLQONVGY-UHFFFAOYSA-N	0	1	361.402	-0.305	10	30		FBEEMN