smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])CN1C(=O)/C(=C/c2ccccc2OCc2cccc3ccccc32)SC1=S	ZINC000001416024	555695275	/nfs/dbraw/zinc/69/52/75/555695275.db2.gz	VVAMWDXTVMNAHS-NDENLUEZSA-N	-1	0	435.526	4.705	10	10		IJCERM
O=C1[N-]C(=S)N(c2ccc(F)cc2)C(=O)C1=Cc1c[nH]c2ccc(Br)cc12	ZINC000001277911	132241161	/nfs/dbraw/zinc/24/11/61/132241161.db2.gz	TZDAZGUPEPQWDZ-VIZOYTHASA-N	-1	0	444.285	4.741	10	10		IJCERM
N=C1S/C(=C/c2ccc(-c3ccc(Cl)c(C(=O)[O-])c3)o2)C(=O)N1c1nccs1	ZINC000034871538	526840085	/nfs/dbraw/zinc/84/00/85/526840085.db2.gz	PSYPAVVACJZRSK-VYUZCOAASA-N	-1	0	431.882	4.810	10	10		IJCERM
Cc1ccc(CNC(=O)c2c[n-]n3c2nc(CSc2ccc(Cl)cc2)cc3=O)cc1	ZINC000003035707	569437954	/nfs/dbraw/zinc/43/79/54/569437954.db2.gz	HLGUIBDVHVBCIR-UHFFFAOYSA-N	-1	0	438.940	4.619	10	10		IJCERM
Cc1ccc(-c2cc(OCC(=O)[O-])nc(Nc3ccccc3C(=O)c3ccccc3)n2)cc1	ZINC000073700901	525736346	/nfs/dbraw/zinc/73/63/46/525736346.db2.gz	IGJOZJXYGCZYFA-UHFFFAOYSA-N	-1	0	439.471	4.890	10	10		IJCERM
Cc1cccc(-c2cc(OCC(=O)[O-])nc(Nc3ccccc3C(=O)c3ccccc3)n2)c1	ZINC000073700895	524108565	/nfs/dbraw/zinc/10/85/65/524108565.db2.gz	JDEHCTFAILLSJF-UHFFFAOYSA-N	-1	0	439.471	4.890	10	10		IJCERM
COc1ccc2ccc(OC)c(C=C3C(=O)[N-]C(=O)N(c4ccc(C)c(C)c4)C3=O)c2c1	ZINC000033316873	525647396	/nfs/dbraw/zinc/64/73/96/525647396.db2.gz	AYBHIURUOCQREW-BKUYFWCQSA-N	-1	0	430.460	4.981	10	10		IJCERM