smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H]1O[C@@H](Oc2ccc(-c3cc(O)c4c(=O)cc(O)cc-4o3)cc2)[C@H](O)[C@H](O)[C@H]1O	ZINC000096023834	559147363	/nfs/dbraw/zinc/14/73/63/559147363.db2.gz	RDBPZZVIYGFJKU-NNTGZONMSA-N	0	2	416.382	1.078	10	0	biogenic	HDAELN
CCCc1[nH]n(C)c(=O)c1C1=C(N2CCOCC2)C(=O)N(c2ccc(F)cc2)C1=O	ZINC000006773296	569041934	/nfs/dbraw/zinc/04/19/34/569041934.db2.gz	DKTPRNGDBMHXEA-UHFFFAOYSA-N	0	2	414.437	1.834	10	0		HDAELN
CC(C)NC(=O)C[NH+]1CCN(c2ccc(NC(=O)C3CCC3)c(C(=O)[O-])c2)CC1	ZINC000035482708	571313755	/nfs/dbraw/zinc/31/37/55/571313755.db2.gz	SHSPJZSFYTWNSA-UHFFFAOYSA-N	0	2	402.495	1.770	10	0		HDAELN
O=C(CCc1nnc(-c2ccc3c(c2)OCO3)[nH]c1=O)NCc1ccc2c(c1)OCO2	ZINC000034768045	568825831	/nfs/dbraw/zinc/82/58/31/568825831.db2.gz	LXFVSYLIMGMPCL-UHFFFAOYSA-N	0	2	422.397	1.951	10	0		HDAELN
CC(C)(C)c1nsc(NC[C@@H]2CCn3ncc(C(=O)N4CCOCC4)c3C2)n1	ZINC000583622029	560777331	/nfs/dbraw/zinc/77/73/31/560777331.db2.gz	BYVVHRUBKWVLRL-CYBMUJFWSA-N	0	2	404.540	1.601	10	0		HDAELN
CC(C)(C)c1nc(=NC[C@@H]2CCn3ncc(C(=O)N4CCOCC4)c3C2)s[nH]1	ZINC000583622029	560777333	/nfs/dbraw/zinc/77/73/33/560777333.db2.gz	BYVVHRUBKWVLRL-CYBMUJFWSA-N	0	2	404.540	1.601	10	0		HDAELN
O=C(CCn1[nH]c(=O)ccc1=O)N[C@H](Cc1ccccc1)c1nc2ccccc2[nH]1	ZINC000009467448	571261305	/nfs/dbraw/zinc/26/13/05/571261305.db2.gz	VUUNZTKNKKXQII-GOSISDBHSA-N	0	2	403.442	1.903	10	0		HDAELN
O=C(CCn1[nH]c(=O)ccc1=O)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1	ZINC000009467446	571261334	/nfs/dbraw/zinc/26/13/34/571261334.db2.gz	VUUNZTKNKKXQII-SFHVURJKSA-N	0	2	403.442	1.903	10	0		HDAELN
CC(C)(C)c1nsc(NC[C@H]2CCn3ncc(C(=O)N4CCOCC4)c3C2)n1	ZINC000583622030	560777484	/nfs/dbraw/zinc/77/74/84/560777484.db2.gz	BYVVHRUBKWVLRL-ZDUSSCGKSA-N	0	2	404.540	1.601	10	0		HDAELN
CC(C)(C)c1nc(=NC[C@H]2CCn3ncc(C(=O)N4CCOCC4)c3C2)s[nH]1	ZINC000583622030	560777485	/nfs/dbraw/zinc/77/74/85/560777485.db2.gz	BYVVHRUBKWVLRL-ZDUSSCGKSA-N	0	2	404.540	1.601	10	0		HDAELN
Cc1cc(C)n2nc(CNS(=O)(=O)c3c(F)c(F)c(F)c(F)c3F)nc2n1	ZINC000006808190	569132468	/nfs/dbraw/zinc/13/24/68/569132468.db2.gz	QYVSPOAHKPDXET-UHFFFAOYSA-N	0	2	407.324	1.915	10	0		HDAELN