smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)[C@@H](NC(=O)[C@@H](CS)NC(=O)CCC[C@H]([NH3+])C(=O)[O-])C(=O)[O-]	ZINC000003873035	204113541	/nfs/dbraw/zinc/11/35/41/204113541.db2.gz	BYEIJZFKOAXBBV-IQJOONFLSA-N	-1	0	363.436	-0.791	10	30	in-vitro	FBEERM
COC(=O)[C@H](CS)NC(=O)CC[C@H]([N-]C(=O)C(F)(F)F)C(=O)OC	ZINC000004352770	483410234	/nfs/dbraw/zinc/41/02/34/483410234.db2.gz	PFXPTRCYPGFZAZ-BQBZGAKWSA-N	-1	0	374.337	-0.426	10	30		FBEERM
CC(C)[C@@H](NC(=O)[C@H](CS)NC(=O)CCC[C@@H]([NH3+])C(=O)[O-])C(=O)[O-]	ZINC000012501489	483495996	/nfs/dbraw/zinc/49/59/96/483495996.db2.gz	BYEIJZFKOAXBBV-WCABBAIRSA-N	-1	0	363.436	-0.791	10	30		FBEERM
NC(=[NH2+])NCCC[C@H](NC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])C(=O)[O-]	ZINC000013368314	560215057	/nfs/dbraw/zinc/21/50/57/560215057.db2.gz	AFUDERYHOUWFDT-RYUDHWBXSA-N	-1	0	365.390	-0.512	10	30	in-vitro	FBEERM
O=C([N-]CC#Cc1cn([C@H]2CC[C@@H](CO)O2)c(=O)[nH]c1=O)C(F)(F)F	ZINC000034361872	483576308	/nfs/dbraw/zinc/57/63/08/483576308.db2.gz	YZMXEAFWOQOJCL-VHSXEESVSA-N	-1	0	361.276	-0.764	10	30		FBEERM
C[C@@H]1NC(=O)[C@H]1NC(=O)/C(=N\OC(C)(C)C(=O)[O-])c1csc(N)n1	ZINC000065740031	221235916	/nfs/dbraw/zinc/23/59/16/221235916.db2.gz	XSBOMZYBOQIGCO-VQSOLXJISA-N	-1	0	355.376	-0.688	10	30	in-vitro	FBEERM
O=C(CSCC(=O)N[C@@H]1CCSC1=O)N[C@@H](CCS)C(=O)[O-]	ZINC000077292143	484678527	/nfs/dbraw/zinc/67/85/27/484678527.db2.gz	XVAYIXNOHKGFJC-JGVFFNPUSA-N	-1	0	366.486	-0.243	10	30	in-vitro	FBEERM
O=C(CSCC(=O)N[C@H]1CCSC1=O)N[C@@H](CCS)C(=O)[O-]	ZINC000077292144	221602307	/nfs/dbraw/zinc/60/23/07/221602307.db2.gz	XVAYIXNOHKGFJC-YUMQZZPRSA-N	-1	0	366.486	-0.243	10	30	in-vitro	FBEERM
O=C(CSCC(=O)N[C@@H]1CCSC1=O)N[C@H](CCS)C(=O)[O-]	ZINC000077292147	527014174	/nfs/dbraw/zinc/01/41/74/527014174.db2.gz	XVAYIXNOHKGFJC-HTQZYQBOSA-N	-1	0	366.486	-0.243	10	30	in-vitro	FBEERM
O=C(CSCC(=O)N[C@H]1CCSC1=O)N[C@H](CCS)C(=O)[O-]	ZINC000077292150	527014216	/nfs/dbraw/zinc/01/42/16/527014216.db2.gz	XVAYIXNOHKGFJC-SFYZADRCSA-N	-1	0	366.486	-0.243	10	30	in-vitro	FBEERM
C[C@H]1OC(=O)C2=C1CS[C@@H](CNC(=O)/C(=N\[O-])c1csc(N)n1)N2	ZINC000103530401	222337929	/nfs/dbraw/zinc/33/79/29/222337929.db2.gz	PPVBFUWHFJBAJX-FSAZWOEISA-N	-1	0	369.428	-0.118	10	30	in-vitro	FBEERM
C[C@@H]1OC(=O)C2=C1CS[C@@H](CNC(=O)/C(=N\[O-])c1csc(N)n1)N2	ZINC000103530405	222338886	/nfs/dbraw/zinc/33/88/86/222338886.db2.gz	PPVBFUWHFJBAJX-VKQKYYFBSA-N	-1	0	369.428	-0.118	10	30	in-vitro	FBEERM
C[C@H]1OC(=O)C2=C1CS[C@H](CNC(=O)/C(=N\[O-])c1csc(N)n1)N2	ZINC000103530410	222337920	/nfs/dbraw/zinc/33/79/20/222337920.db2.gz	PPVBFUWHFJBAJX-QUXKVXMGSA-N	-1	0	369.428	-0.118	10	30	in-vitro	FBEERM
C[C@@H]1OC(=O)C2=C1CS[C@H](CNC(=O)/C(=N\[O-])c1csc(N)n1)N2	ZINC000103530414	209253890	/nfs/dbraw/zinc/25/38/90/209253890.db2.gz	PPVBFUWHFJBAJX-GTGKNRNPSA-N	-1	0	369.428	-0.118	10	30	in-vitro	FBEERM