smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1(C)c2ccc([N+](=O)[O-])cc2-c2[nH]c3c(cccc3C(=O)[O-])c21	ZINC000026183263	182433115	/nfs/dbraw/zinc/43/31/15/182433115.db2.gz	NQFZBRAQTXXKSG-UHFFFAOYSA-N	-1	0	322.320	4.081	1	5		DIBFRM
O=C([O-])c1ccc2c(c1)nc(Nc1ccccc1)c1cnccc21	ZINC000066101646	184389844	/nfs/dbraw/zinc/38/98/44/184389844.db2.gz	HGKNVEOOKHRGOC-UHFFFAOYSA-N	-1	0	315.332	4.225	1	5		DIBFRM
O=C([O-])c1ccc2c(c1)nc(-c1ccccc1)c1ccncc21	ZINC000059222933	184135975	/nfs/dbraw/zinc/13/59/75/184135975.db2.gz	GHMUXMTYJAQMHJ-UHFFFAOYSA-N	-1	0	300.317	4.148	1	5		DIBFRM
O=C([O-])c1ccc2c(c1)nc(Nc1ccccc1)c1ncccc21	ZINC000066102500	184389685	/nfs/dbraw/zinc/38/96/85/184389685.db2.gz	IPNKGWIYEVSLIP-UHFFFAOYSA-N	-1	0	315.332	4.225	1	5		DIBFRM
O=C([O-])c1ccc2c(c1)nc(Nc1ccccc1)c1cccnc21	ZINC000066101645	184388959	/nfs/dbraw/zinc/38/89/59/184388959.db2.gz	BLFIBJASYWMFTO-UHFFFAOYSA-N	-1	0	315.332	4.225	1	5		DIBFRM
O=[N+]([O-])c1ccc2[nH]c(-c3cc(Cl)cc(Cl)c3[O-])nc2c1	ZINC000073198634	191291873	/nfs/dbraw/zinc/29/18/73/191291873.db2.gz	PFWOLAVCSMAJKH-UHFFFAOYSA-N	-1	0	324.123	4.151	1	5		DIBFRM
O=C([O-])c1ccc2c(c1)nc(-c1cccc(F)c1)c1ccncc21	ZINC000043206127	183344379	/nfs/dbraw/zinc/34/43/79/183344379.db2.gz	SFLCCIUFSBSYLX-UHFFFAOYSA-N	-1	0	318.307	4.287	1	5		DIBFRM
O=C([O-])c1ccc2c(c1)nc(Nc1ccccc1)c1ccncc21	ZINC000066101648	184389857	/nfs/dbraw/zinc/38/98/57/184389857.db2.gz	KVQYHOITLPMKDW-UHFFFAOYSA-N	-1	0	315.332	4.225	1	5		DIBFRM
Cc1ccccc1-c1nc2cc(C(=O)[O-])ccc2c2cnccc21	ZINC000073223988	191295747	/nfs/dbraw/zinc/29/57/47/191295747.db2.gz	SKUPJKXYVJOPDL-UHFFFAOYSA-N	-1	0	314.344	4.457	1	5		DIBFRM
O=C([O-])c1ccc2c(c1)nc(-c1ccsc1)c1ccncc21	ZINC000043206126	183344102	/nfs/dbraw/zinc/34/41/02/183344102.db2.gz	AFSNNEJIKHHNDD-UHFFFAOYSA-N	-1	0	306.346	4.210	1	5		DIBFRM
O=C([O-])c1ccc2c(c1)nc(-c1ccc(F)cc1)c1ccncc21	ZINC000043206128	183344223	/nfs/dbraw/zinc/34/42/23/183344223.db2.gz	PCLRZKNIKYPDAG-UHFFFAOYSA-N	-1	0	318.307	4.287	1	5		DIBFRM
O=C([O-])c1ccc2c(c1)nc(-c1ccccc1F)c1ccncc21	ZINC000059222590	184135839	/nfs/dbraw/zinc/13/58/39/184135839.db2.gz	NAJALUIUEHGCFO-UHFFFAOYSA-N	-1	0	318.307	4.287	1	5		DIBFRM