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@@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)[O-]	ZINC000040753374	208268281	/nfs/dbraw/zinc/26/82/81/208268281.db2.gz	WCHONUZTYDQMBY-SAXRGWBVSA-N	-1	1	365.434	-0.114	1	0		FBAFMM
O=C([O-])[C@H](CO)NC(=O)CN(c1nc(Cl)nc2[nH]cnc21)C1CC1	ZINC000045348974	208330852	/nfs/dbraw/zinc/33/08/52/208330852.db2.gz	CQCGBBQAWUFRFW-ZETCQYMHSA-N	-1	1	354.754	-0.463	1	0		FBAFMM
CC(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-]	ZINC000058591713	212011657	/nfs/dbraw/zinc/01/16/57/212011657.db2.gz	QASGHPSHVCQWKT-STQMWFEESA-N	-1	1	367.406	-0.811	1	0		FBAFMM
Nc1ncc(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)c(=O)[n-]1	ZINC000084596930	132198805	/nfs/dbraw/zinc/19/88/05/132198805.db2.gz	FKMCCIFWUAKGRD-UHFFFAOYSA-N	-1	1	359.390	-0.518	1	0		FBAFMM
O=C([O-])CC[N@H+](CCn1cnc2c1nc[nH]c2=O)CCP(=O)([O-])O	ZINC000095573633	209081939	/nfs/dbraw/zinc/08/19/39/209081939.db2.gz	CFEQIEBFWZIVLP-UHFFFAOYSA-N	-1	1	359.279	-0.926	1	0		FBAFMM
O=C([O-])CC[N@@H+](CCn1cnc2c1nc[nH]c2=O)CCP(=O)([O-])O	ZINC000095573633	209081934	/nfs/dbraw/zinc/08/19/34/209081934.db2.gz	CFEQIEBFWZIVLP-UHFFFAOYSA-N	-1	1	359.279	-0.926	1	0		FBAFMM
O=C([O-])CC[NH+](CCn1cnc2c1nc[nH]c2=O)CC[P@@](=O)([O-])O	ZINC000095573633	209081930	/nfs/dbraw/zinc/08/19/30/209081930.db2.gz	CFEQIEBFWZIVLP-UHFFFAOYSA-N	-1	1	359.279	-0.926	1	0		FBAFMM
CCOC(=O)CN(CCn1cnc2c1nc[nH]c2=O)CC[P@](=O)([O-])O	ZINC000095580453	209082087	/nfs/dbraw/zinc/08/20/87/209082087.db2.gz	AUDPLIWGHONCIY-UHFFFAOYSA-N	-1	1	373.306	-0.838	1	0		FBAFMM
C[C@H](NC(=O)CN)C(=O)NCCC(=O)NCC1(CC(=O)[O-])CCCCC1	ZINC000103266940	222330971	/nfs/dbraw/zinc/33/09/71/222330971.db2.gz	JMVORLZUZUJBTL-LBPRGKRZSA-N	-1	1	370.450	-0.503	1	0		FBAFMM
O=C1[C@@H]2C[C@@H]3O[C@@]2([C@@H]([P@](=O)([O-])O)N1Cc1ccccc1)[C@@H](O)[C@H]3O	ZINC000169336151	206252640	/nfs/dbraw/zinc/25/26/40/206252640.db2.gz	VJWFYDNYJDMVDR-OOAGNDBOSA-N	-1	1	355.283	-0.588	1	0		FBAFMM
O=C1[C@@H]2C[C@@H]3O[C@]2([C@H](O)[C@H]3O)[C@@H]([P@](=O)([O-])O)N1Cc1ccccc1	ZINC000169336153	206252597	/nfs/dbraw/zinc/25/25/97/206252597.db2.gz	VJWFYDNYJDMVDR-WKKWAXIPSA-N	-1	1	355.283	-0.588	1	0		FBAFMM