smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(CO)(CO)[N-]C(=O)C(F)(F)C(F)(F)C(=O)[N-]C(C)(CO)CO	ZINC000002995964	482531030	/nfs/dbraw/zinc/53/10/30/482531030.db2.gz	IFPLCSAVGQUXED-UHFFFAOYSA-N	-2	3	364.292	-2.024	50	0		FAAAHL
CCOC(=O)CNC(=O)CNC(=O)CCCCc1c([O-])nc(N)[n-]c1=O	ZINC000005349782	204204106	/nfs/dbraw/zinc/20/41/06/204204106.db2.gz	GLPOWKSBFLRTKF-UHFFFAOYSA-N	-2	3	369.378	-1.434	50	0		FAAAHL
C[C@H](N)C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-]	ZINC000048547152	482848197	/nfs/dbraw/zinc/84/81/97/482848197.db2.gz	ODJTYGWDZZJPQT-JBDRJPRFSA-N	-2	3	360.367	-2.223	50	0		FAAAHL
O=C([O-])c1cn(C[C@@H]2CCCN(C(=O)CN3CC(=O)[N-]C3=O)C2)nn1	ZINC000067605282	221262573	/nfs/dbraw/zinc/26/25/73/221262573.db2.gz	VHHKOUQARVCAJZ-SECBINFHSA-N	-2	3	350.335	-1.233	50	0		FAAAHL
O=C([O-])c1cn(C[C@H]2CCCN(C(=O)CN3CC(=O)[N-]C3=O)C2)nn1	ZINC000067605283	205377004	/nfs/dbraw/zinc/37/70/04/205377004.db2.gz	VHHKOUQARVCAJZ-VIFPVBQESA-N	-2	3	350.335	-1.233	50	0		FAAAHL
Cc1cc(=O)[n-]c(CCNC(=O)c2cnc(Cn3cncn3)[n-]c2=O)n1	ZINC000091848944	482635712	/nfs/dbraw/zinc/63/57/12/482635712.db2.gz	CKGXZJQWAKBUBF-UHFFFAOYSA-N	-2	3	356.346	-1.226	50	0		FAAAHL
C[C@H](N)C(=O)N[C@@]1(C(=O)[O-])C[C@@H](Sc2nc[nH]n2)[C@H]2[C@H](C(=O)[O-])[C@H]21	ZINC000095641935	482904037	/nfs/dbraw/zinc/90/40/37/482904037.db2.gz	BBGHHIUQOKQCBW-LDZWZCGGSA-N	-2	3	355.376	-1.097	50	0		FAAAHL
CCS(=O)(=O)N1C[C@@H]2CN(Cc3cc(=O)[n-]c(=O)[nH]3)C[C@]2(C(=O)[O-])C1	ZINC000096151859	222054090	/nfs/dbraw/zinc/05/40/90/222054090.db2.gz	ZGGHUGXQHAOYAR-XPTSAGLGSA-N	-2	3	372.403	-1.769	50	0		FAAAHL
O=c1[n-]c(=O)c(S(=O)(=O)[N-][C@@H]2CCOC[C@H]2Oc2ccccn2)c[nH]1	ZINC000220502370	482893112	/nfs/dbraw/zinc/89/31/12/482893112.db2.gz	QKXPSNZBIONINI-NXEZZACHSA-N	-2	3	368.371	-1.027	50	0		FAAAHL
O=c1[n-]c(=O)c(S(=O)(=O)[N-][C@@H]2COCC[C@H]2Oc2ccccn2)c[nH]1	ZINC000222939113	482902837	/nfs/dbraw/zinc/90/28/37/482902837.db2.gz	HSBHANITTSOPMZ-NXEZZACHSA-N	-2	3	368.371	-1.027	50	0		FAAAHL