smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)N[C@@H]1[C@H](O)[C@H](O)[C@H](CO)O[C@@H]1n1nc(SCc2ccccc2)c(=O)[nH]c1=O	ZINC000005542714	562944091	/nfs/dbraw/zinc/94/40/91/562944091.db2.gz	HQQVTSYFQOLPBF-SMRWVPHVSA-N	0	2	438.462	-1.660	1	0		IAAFLN
NS(=O)(=O)c1nnc([N-]S(=O)(=O)c2ccc(NC(=O)CNC(=O)C[NH3+])cc2)s1	ZINC000013800654	563007700	/nfs/dbraw/zinc/00/77/00/563007700.db2.gz	HWIVJEDAPLKYBT-UHFFFAOYSA-N	0	2	449.496	-2.000	1	0		IAAFLN
NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CC(=O)N(CC(=O)[O-])C(=O)N1	ZINC000026251309	563030024	/nfs/dbraw/zinc/03/00/24/563030024.db2.gz	RZUZWAHHAMOBFU-SRVKXCTJSA-N	0	2	449.424	-2.692	1	0		IAAFLN
NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CC(=O)N(CC(=O)[O-])C(=O)N1	ZINC000026251309	563030023	/nfs/dbraw/zinc/03/00/23/563030023.db2.gz	RZUZWAHHAMOBFU-SRVKXCTJSA-N	0	2	449.424	-2.692	1	0		IAAFLN
CCCCNc1nc2c(c(=O)[nH]1)n(C)c[n+]2[C@@H]1O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000084713057	563177792	/nfs/dbraw/zinc/17/77/92/563177792.db2.gz	YCRJWQYVWBNLLS-IDTAVKCVSA-O	0	2	434.366	-1.510	1	0		IAAFLN
CCCCNc1nc2c(c(=O)[nH]1)n(C)c[n+]2[C@@H]1O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000084713057	563177791	/nfs/dbraw/zinc/17/77/91/563177791.db2.gz	YCRJWQYVWBNLLS-IDTAVKCVSA-O	0	2	434.366	-1.510	1	0		IAAFLN
CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)OC(C(=O)[O-])=C[C@@H]1[NH+]1CCN(c2ccccc2)CC1	ZINC000084714061	563177907	/nfs/dbraw/zinc/17/79/07/563177907.db2.gz	VBQIZUPBSPTEJS-APQLOABGSA-N	0	2	435.477	-1.237	1	0		IAAFLN
CC(C)CNc1nc2c(c(=O)[nH]1)n(C)c[n+]2[C@@H]1O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000084727972	563178274	/nfs/dbraw/zinc/17/82/74/563178274.db2.gz	CVRQSXFFGHBGJY-IDTAVKCVSA-O	0	2	434.366	-1.655	1	0		IAAFLN
CC(C)CNc1nc2c(c(=O)[nH]1)n(C)c[n+]2[C@@H]1O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000084727972	563178271	/nfs/dbraw/zinc/17/82/71/563178271.db2.gz	CVRQSXFFGHBGJY-IDTAVKCVSA-O	0	2	434.366	-1.655	1	0		IAAFLN