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(CN1CCS(=O)(=O)CC1)c1ccc([O-])c(O)c1	ZINC000037339380	173140124	/nfs/dbraw/zinc/14/01/24/173140124.db2.gz	UQQUQCVUAMEFHF-UHFFFAOYSA-N	-1	1	285.321	0.011	10	10		CCCEMM
O=C1N[C@@H](c2cc(Cl)ccc2[O-])N2CCOC[C@@H]12	ZINC000093883700	330426279	/nfs/dbraw/zinc/42/62/79/330426279.db2.gz	MEKGFBAAIKMFAY-GXSJLCMTSA-N	-1	1	268.700	0.875	10	10		CCCEMM
O=C1N[C@H](c2cc(Cl)ccc2[O-])N2CCOC[C@@H]12	ZINC000093883701	389037714	/nfs/dbraw/zinc/03/77/14/389037714.db2.gz	MEKGFBAAIKMFAY-ONGXEEELSA-N	-1	1	268.700	0.875	10	10		CCCEMM
O=C1N[C@H](c2cc(Cl)ccc2[O-])N2CCOC[C@H]12	ZINC000093883699	389037983	/nfs/dbraw/zinc/03/79/83/389037983.db2.gz	MEKGFBAAIKMFAY-KOLCDFICSA-N	-1	1	268.700	0.875	10	10		CCCEMM
CC1=NN(c2nn[n-]n2)C(=O)C1=Cc1ccc2c(c1)OCO2	ZINC000012412782	388782765	/nfs/dbraw/zinc/78/27/65/388782765.db2.gz	LHQYVGIGVHAPET-WTKPLQERSA-N	-1	1	298.262	0.735	10	10		CCCEMM
COc1cc(O)ccc1C=C1C(=O)[N-]C(=S)NC1=O	ZINC000584637177	397583299	/nfs/dbraw/zinc/58/32/99/397583299.db2.gz	JEUKSYMGVMYXQN-UHFFFAOYSA-N	-1	1	278.289	0.315	10	10		CCCEMM
Nc1ccc(OCC[N-]S(=O)(=O)C(F)F)cc1	ZINC000038079612	174089346	/nfs/dbraw/zinc/08/93/46/174089346.db2.gz	QBRVBTPYZYHCSA-UHFFFAOYSA-N	-1	1	266.269	0.790	10	10		CCCEMM
O=C([O-])[C@H](Cc1cnc[nH]1)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O	ZINC000022173086	171368467	/nfs/dbraw/zinc/36/84/67/171368467.db2.gz	SZIOWUAFQDAWSY-AXFHLTTASA-N	-1	1	289.291	0.357	10	10		CCCEMM
O=C1N[C@@H](c2cc(Cl)ccc2[O-])N2CCOC[C@H]12	ZINC000093883698	389038126	/nfs/dbraw/zinc/03/81/26/389038126.db2.gz	MEKGFBAAIKMFAY-MWLCHTKSSA-N	-1	1	268.700	0.875	10	10		CCCEMM
O=C([O-])[C@@H](Cc1cnc[nH]1)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O	ZINC000022173083	171368907	/nfs/dbraw/zinc/36/89/07/171368907.db2.gz	SZIOWUAFQDAWSY-OUAUKWLOSA-N	-1	1	289.291	0.357	10	10		CCCEMM