smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=O)OCC1=C(COC(N)=O)C(=O)c2c(O)ccc([O-])c2C1=O	ZINC000005566508	375905692	/nfs/dbraw/zinc/90/56/92/375905692.db2.gz	UBGXTWNFKIDHRB-UHFFFAOYSA-N	-1	3	336.256	-0.036	40	30		EBEBHM
C=CCSc1nc2c(nc[n-]c2=O)n1[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O	ZINC000016953831	381581728	/nfs/dbraw/zinc/58/17/28/381581728.db2.gz	MLWPNLHAPRRVDF-CIPNSKCISA-N	-1	3	340.361	-0.991	40	30		EBEBHM
C=CCSc1nc2c(nc[n-]c2=O)n1[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O	ZINC000004633124	276906746	/nfs/dbraw/zinc/90/67/46/276906746.db2.gz	MLWPNLHAPRRVDF-YLJFRXORSA-N	-1	3	340.361	-0.991	40	30		EBEBHM
N#Cc1c([O-])cc(CC(=O)NCCN2C(=O)C=CC2=O)c(O)c1C#N	ZINC000022057099	212273811	/nfs/dbraw/zinc/27/38/11/212273811.db2.gz	XOGMKERMQVKVPW-UHFFFAOYSA-N	-1	3	340.295	-0.575	40	30	in-vitro	EBEBHM
C=CCSc1nc2c(nc[n-]c2=O)n1[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1O	ZINC000004984264	210350026	/nfs/dbraw/zinc/35/00/26/210350026.db2.gz	MLWPNLHAPRRVDF-YWZCALJYSA-N	-1	3	340.361	-0.991	40	30		EBEBHM
CC1(C)O[C@H]2[C@H](n3cnc4c3ncnc4N)O[C@H](C(=O)N[O-])[C@H]2O1	ZINC000005008967	210361006	/nfs/dbraw/zinc/36/10/06/210361006.db2.gz	HHUNLHXAOMTCFR-BSFVXNEUSA-N	-1	3	336.308	-0.669	40	30		EBEBHM
COc1ccc(S(=O)(=O)N=C(N)NCCC[C@H](N)C(=O)[O-])cc1	ZINC000002560663	375885760	/nfs/dbraw/zinc/88/57/60/375885760.db2.gz	DCTOTIRHYVFLFF-NSHDSACASA-N	-1	3	344.393	-0.520	40	30		EBEBHM
C=CCSc1nc2c(nc[n-]c2=O)n1[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O	ZINC000016953827	381581951	/nfs/dbraw/zinc/58/19/51/381581951.db2.gz	MLWPNLHAPRRVDF-UKHPNBTGSA-N	-1	3	340.361	-0.991	40	30		EBEBHM
CC1(C)O[C@@H]2[C@@H](O1)[C@@H](C(=O)N[O-])O[C@H]2n1cnc2c1ncnc2N	ZINC000005008966	375901199	/nfs/dbraw/zinc/90/11/99/375901199.db2.gz	HHUNLHXAOMTCFR-OUDXYJABSA-N	-1	3	336.308	-0.669	40	30		EBEBHM
CC1(C)O[C@@H]2[C@H](n3cnc4c3ncnc4N)O[C@H](C(=O)N[O-])[C@H]2O1	ZINC000005008970	210360778	/nfs/dbraw/zinc/36/07/78/210360778.db2.gz	HHUNLHXAOMTCFR-MOEZTCPLSA-N	-1	3	336.308	-0.669	40	30		EBEBHM
COc1cc(/C=N\NC(N)=S)cc(/C=N/NC(N)=S)c1[O-]	ZINC000035191171	213013285	/nfs/dbraw/zinc/01/32/85/213013285.db2.gz	OBPVRVOIPRQOIR-YHKLRMRPSA-N	-1	3	326.407	-0.265	40	30		EBEBHM
CC1(C)O[C@H]2[C@@H](C(=O)N[O-])O[C@@H](n3cnc4c3ncnc4N)[C@H]2O1	ZINC000005008968	375902411	/nfs/dbraw/zinc/90/24/11/375902411.db2.gz	HHUNLHXAOMTCFR-GLTNYXDESA-N	-1	3	336.308	-0.669	40	30		EBEBHM