smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[O-]c1cc(O)ccc1-c1nc2ccc3ccccc3c2c2c1CCCC2	ZINC000000218776	563262324	/nfs/dbraw/zinc/26/23/24/563262324.db2.gz	YAXPLWTXMPAXSU-UHFFFAOYSA-N	-1	3	341.410	5.345	50	5		EKBAHM
COc1cc(-c2cc(C)c3c(ccc4ccccc43)n2)cc(Cl)c1[O-]	ZINC000001422190	564066695	/nfs/dbraw/zinc/06/66/95/564066695.db2.gz	SHAIMFHGBVTELY-UHFFFAOYSA-N	-1	3	349.817	5.731	50	5		EKBAHM
[O-]c1ccccc1-c1cc(-c2ccccc2)c2c(ccc3ccccc32)n1	ZINC000002963175	563464559	/nfs/dbraw/zinc/46/45/59/563464559.db2.gz	KDBJCJUZAXAWNS-UHFFFAOYSA-N	-1	3	347.417	6.428	50	5		EKBAHM
Cc1ccc([N-]C(=O)c2sc3ccccc3c2Cl)c([N+](=O)[O-])c1	ZINC000004093676	210118523	/nfs/dbraw/zinc/11/85/23/210118523.db2.gz	KFKDVOXENJSGMU-UHFFFAOYSA-N	-1	3	346.795	5.024	50	5		EKBAHM
C[C@@H]1CCc2c(c(-c3ccccc3[O-])nc3ccc4ccccc4c32)C1	ZINC000004123500	564160804	/nfs/dbraw/zinc/16/08/04/564160804.db2.gz	QKVPACQMCDDBHE-OAHLLOKOSA-N	-1	3	339.438	5.885	50	5		EKBAHM
C[C@H]1CCc2c(c(-c3ccccc3[O-])nc3ccc4ccccc4c32)C1	ZINC000004123501	210126752	/nfs/dbraw/zinc/12/67/52/210126752.db2.gz	QKVPACQMCDDBHE-HNNXBMFYSA-N	-1	3	339.438	5.885	50	5		EKBAHM
C[C@@H]1CCc2c(c3c(ccc4ccccc43)nc2-c2ccccc2[O-])C1	ZINC000004123504	210126228	/nfs/dbraw/zinc/12/62/28/210126228.db2.gz	HAHITMYPNGXMEN-OAHLLOKOSA-N	-1	3	339.438	5.885	50	5		EKBAHM
C[C@H]1CCc2c(c3c(ccc4ccccc43)nc2-c2ccccc2[O-])C1	ZINC000004123505	210126560	/nfs/dbraw/zinc/12/65/60/210126560.db2.gz	HAHITMYPNGXMEN-HNNXBMFYSA-N	-1	3	339.438	5.885	50	5		EKBAHM
Cc1cccc([N+](=O)[O-])c1[N-]C(=O)c1sc2ccccc2c1Cl	ZINC000004309959	210166806	/nfs/dbraw/zinc/16/68/06/210166806.db2.gz	XVVZFVGSQTVXQO-UHFFFAOYSA-N	-1	3	346.795	5.024	50	5		EKBAHM
Cc1ccc2c(Cl)c(C(=O)[N-]c3ccccc3[N+](=O)[O-])sc2c1	ZINC000004349130	210177821	/nfs/dbraw/zinc/17/78/21/210177821.db2.gz	VKNVHEKGLGZMCQ-UHFFFAOYSA-N	-1	3	346.795	5.024	50	5		EKBAHM
O=c1oc2ccc3ccccc3c2cc1-c1nc2ccc(Cl)cc2[n-]1	ZINC000005125729	210394816	/nfs/dbraw/zinc/39/48/16/210394816.db2.gz	LTABNDFPZDIKAC-UHFFFAOYSA-N	-1	3	346.773	5.143	50	5		EKBAHM
O=c1oc2ccc3ccccc3c2cc1-c1nc2cc(Cl)ccc2[n-]1	ZINC000005125729	210394810	/nfs/dbraw/zinc/39/48/10/210394810.db2.gz	LTABNDFPZDIKAC-UHFFFAOYSA-N	-1	3	346.773	5.143	50	5		EKBAHM
[O-]c1ccccc1-c1cc(-c2ccccc2)c2c(ccc3ncccc32)n1	ZINC000006039935	564116227	/nfs/dbraw/zinc/11/62/27/564116227.db2.gz	FXYCLFXFYHTFTR-UHFFFAOYSA-N	-1	3	348.405	5.823	50	5		EKBAHM
CC(C)n1ncc2c1nc1c3ccc([O-])cc3oc1c2-c1ccsc1	ZINC000095473137	564141303	/nfs/dbraw/zinc/14/13/03/564141303.db2.gz	FANHJJYKQBAMKH-UHFFFAOYSA-N	-1	3	349.415	5.346	50	5		EKBAHM
CC(C)n1ncc2c1nc1c3ccc([O-])cc3oc1c2-c1ccccc1	ZINC000096113928	564145424	/nfs/dbraw/zinc/14/54/24/564145424.db2.gz	PMYHRRBEKHAEPT-UHFFFAOYSA-N	-1	3	343.386	5.284	50	5		EKBAHM
CC(C)c1ccc(-c2c3c[nH]nc3nc3c4ccc([O-])cc4oc32)cc1	ZINC000096220840	564092424	/nfs/dbraw/zinc/09/24/24/564092424.db2.gz	PMDGRNSPXXAPKX-UHFFFAOYSA-N	-1	3	343.386	5.353	50	5		EKBAHM
CCCC[C@@H](CC)c1c2cnn(C)c2nc2c3ccc([O-])cc3oc21	ZINC000253411489	564130693	/nfs/dbraw/zinc/13/06/93/564130693.db2.gz	OQYYSEXBWNLXQW-GFCCVEGCSA-N	-1	3	337.423	5.257	50	5		EKBAHM
CCCC[C@H](CC)c1c2cnn(C)c2nc2c3ccc([O-])cc3oc21	ZINC000253411490	564130708	/nfs/dbraw/zinc/13/07/08/564130708.db2.gz	OQYYSEXBWNLXQW-LBPRGKRZSA-N	-1	3	337.423	5.257	50	5		EKBAHM