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-])c1cc(-c2ccc(F)cc2F)nc2ccc3ccccc3c21	ZINC000000087821	563221108	/nfs/dbraw/zinc/22/11/08/563221108.db2.gz	LMUGZGBREBTASQ-UHFFFAOYSA-N	-1	0	335.309	5.031	50	5		EKBARM
O=C([O-])c1cc(-c2cccc(F)c2F)nc2ccc3ccccc3c21	ZINC000000088541	563221471	/nfs/dbraw/zinc/22/14/71/563221471.db2.gz	OCYSRGQYZCEYQW-UHFFFAOYSA-N	-1	0	335.309	5.031	50	5		EKBARM
O=C([O-])c1cc(-c2c[nH]c3ccccc32)nc2cc3ccccc3cc21	ZINC000000097351	563224613	/nfs/dbraw/zinc/22/46/13/563224613.db2.gz	MRXCACHRAHBIRE-UHFFFAOYSA-N	-1	0	338.366	5.235	50	5		EKBARM
O=C([O-])c1cc(-c2c[nH]c3ccccc32)nc2ccc3ccccc3c21	ZINC000000101040	563983814	/nfs/dbraw/zinc/98/38/14/563983814.db2.gz	SZCPWPAPBYBWJH-UHFFFAOYSA-N	-1	0	338.366	5.235	50	5		EKBARM
O=C([O-])c1cc2ccc3cccc(-c4ccccc4)c3c2c2ccccc12	ZINC000002023232	563418263	/nfs/dbraw/zinc/41/82/63/563418263.db2.gz	NPPUMQHXMGCIRX-UHFFFAOYSA-N	-1	0	348.401	6.511	50	5		EKBARM
O=C([O-])CCCCCCC(=O)c1cc2ccccc2c2ccccc12	ZINC000002580181	563442884	/nfs/dbraw/zinc/44/28/84/563442884.db2.gz	BTSJHSKAAUBSBW-UHFFFAOYSA-N	-1	0	334.415	5.601	50	5		EKBARM
O=C([O-])c1cc(-c2ccccc2Cl)nc2ccc3ccccc3c21	ZINC000003623962	210069261	/nfs/dbraw/zinc/06/92/61/210069261.db2.gz	ZSDDSIFTHLPTRC-UHFFFAOYSA-N	-1	0	333.774	5.407	50	5		EKBARM
O=C([O-])c1ccc(-c2nc3c([nH]2)c2ccccc2c2ccccc32)cc1	ZINC000004190479	563497275	/nfs/dbraw/zinc/49/72/75/563497275.db2.gz	PQSLSGIGRIEFOI-UHFFFAOYSA-N	-1	0	338.366	5.235	50	5		EKBARM
O=[N+]([O-])c1ccccc1[N-]c1nc(-c2ccc(Cl)cc2)cs1	ZINC000005065216	210381719	/nfs/dbraw/zinc/38/17/19/210381719.db2.gz	OQPIQDWBPBATSH-UHFFFAOYSA-N	-1	0	331.784	5.115	50	5		EKBARM
Cc1ccc(C(c2ccc(C)s2)c2cc([N+](=O)[O-])ccc2[O-])s1	ZINC000020828153	202056206	/nfs/dbraw/zinc/05/62/06/202056206.db2.gz	JIUZYBHAEDZYKX-UHFFFAOYSA-N	-1	0	345.445	5.220	50	5		EKBARM
O=C([O-])c1ccccc1SCc1nc2ccccc2c2ccccc12	ZINC000025053942	563880607	/nfs/dbraw/zinc/88/06/07/563880607.db2.gz	UQFOGXUUPPQYFO-UHFFFAOYSA-N	-1	0	345.423	5.379	50	5		EKBARM
Cc1cc2c(cc1C)CSC(c1cc([N+](=O)[O-])ccc1[O-])SC2	ZINC000035974026	213053396	/nfs/dbraw/zinc/05/33/96/213053396.db2.gz	SOUQCGZPYLBAKF-UHFFFAOYSA-N	-1	0	347.461	5.096	50	5		EKBARM
O=[N+]([O-])c1ccc([O-])c(/C=C/c2c3ccccc3nc3ccccc23)c1	ZINC000036020470	213056731	/nfs/dbraw/zinc/05/67/31/213056731.db2.gz	VFMKHLFAYKOSTF-PKNBQFBNSA-N	-1	0	342.354	5.172	50	5		EKBARM
Cc1cc2c(cc1C)CSC(c1cccc([N+](=O)[O-])c1[O-])SC2	ZINC000036107990	202315645	/nfs/dbraw/zinc/31/56/45/202315645.db2.gz	IYKNAMAXZLQEBE-UHFFFAOYSA-N	-1	0	347.461	5.096	50	5		EKBARM
O=C([O-])c1cc2cccc3c(=O)c4cc5ccccc5c5ccc1c(c23)c54	ZINC000045068514	213704937	/nfs/dbraw/zinc/70/49/37/213704937.db2.gz	WYPMTIMESPCACI-UHFFFAOYSA-N	-1	0	348.357	5.387	50	5		EKBARM