smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCn1ncn([N-]C(=O)c2c(F)ccc(O)c2[O-])c1=O	ZINC001183610258	821010648	/nfs/dbraw/zinc/01/06/48/821010648.db2.gz	GIPGBDRENOAKLF-UHFFFAOYSA-N	-2	1	282.231	-0.001	20	10		CBCDML
O=C(NCc1n[nH]c(=O)[n-]1)c1c(F)ccc(O)c1[O-]	ZINC001558945826	924205480	/nfs/dbraw/zinc/20/54/80/924205480.db2.gz	CFURPWNYFVZYTN-UHFFFAOYSA-N	-2	1	268.204	-0.009	20	10		CBCDML
O=C(NCc1nn[n-]n1)c1cc(=O)n(-c2ccccc2)[n-]1	ZINC001147890045	814925241	/nfs/dbraw/zinc/92/52/41/814925241.db2.gz	XFKZBTYUKKDTKH-UHFFFAOYSA-N	-2	1	285.267	-0.391	20	10		CBCDML
O=C(N[C@@H]1CO[N-]C1=O)c1ccc(O)c([O-])c1Cl	ZINC001193236738	824016472	/nfs/dbraw/zinc/01/64/72/824016472.db2.gz	PIXJMMXZTRQGJR-RXMQYKEDSA-N	-2	1	272.644	-0.089	20	10		CBCDML
O=C([O-])Cn1cc(C=C2SC(=S)[N-]C2=O)nn1	ZINC001319250469	817181291	/nfs/dbraw/zinc/18/12/91/817181291.db2.gz	VNKBRLAWPZBCCS-ORCRQEGFSA-N	-2	1	270.295	-0.149	20	10		CBCDML
O=C(NCc1nc(=O)o[n-]1)c1c(F)ccc(O)c1[O-]	ZINC001306821056	816792897	/nfs/dbraw/zinc/79/28/97/816792897.db2.gz	KSIITQMPSWSOCZ-UHFFFAOYSA-N	-2	1	269.188	-0.157	20	10		CBCDML
O=C([O-])Cn1cc(C=C2SC(=S)[N-]C2=O)nn1	ZINC001319250468	817180526	/nfs/dbraw/zinc/18/05/26/817180526.db2.gz	VNKBRLAWPZBCCS-KTAJNNJTSA-N	-2	1	270.295	-0.149	20	10		CBCDML
O=C([O-])NCc1nnnn1CC(=O)c1ccc([O-])c(O)c1	ZINC000832739424	583041379	/nfs/dbraw/zinc/04/13/79/583041379.db2.gz	UZTDWBGDLQOIDD-UHFFFAOYSA-N	-2	1	293.239	-0.265	20	10		CBCDML