smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCCC(=O)c1ccc(O)c(-c2nc3ccc(C)cc3[nH]2)c1	ZINC000026185113	202140633	/nfs/dbraw/zinc/14/06/33/202140633.db2.gz	NRMHXHGWMUBVRJ-UHFFFAOYSA-N	0	2	336.435	5.397	1	0		EKAFLN
CCCCCCC(=O)c1ccc(O)c(-c2nc3cc(C)ccc3[nH]2)c1	ZINC000026185113	202140630	/nfs/dbraw/zinc/14/06/30/202140630.db2.gz	NRMHXHGWMUBVRJ-UHFFFAOYSA-N	0	2	336.435	5.397	1	0		EKAFLN
COc1ccc(Cc2oc3c(c2C)c(O)c(Cl)cc3Cl)cc1	ZINC000028217938	212603431	/nfs/dbraw/zinc/60/34/31/212603431.db2.gz	LLOMWHDIOREQTQ-UHFFFAOYSA-N	0	2	337.202	5.353	1	0		EKAFLN
C[C@H](OC(=S)Nc1ccc(Cl)cc1)c1cccc2ccccc21	ZINC000040395094	213298049	/nfs/dbraw/zinc/29/80/49/213298049.db2.gz	RFHLGSZRGYXJIV-ZDUSSCGKSA-N	0	2	341.863	5.968	1	0		EKAFLN
C[C@H](OC(=S)Nc1ccc(Cl)cc1)c1ccc2ccccc2c1	ZINC000040896238	213398416	/nfs/dbraw/zinc/39/84/16/213398416.db2.gz	DFRDBQPIIDBXKX-ZDUSSCGKSA-N	0	2	341.863	5.968	1	0		EKAFLN
C[C@@H](OC(=S)Nc1ccc(Cl)cc1)c1ccc2ccccc2c1	ZINC000040896241	213398431	/nfs/dbraw/zinc/39/84/31/213398431.db2.gz	DFRDBQPIIDBXKX-CYBMUJFWSA-N	0	2	341.863	5.968	1	0		EKAFLN
Fc1ccc2nc(Nc3nc4c(cccc4Cl)s3)sc2c1	ZINC000073219564	216365810	/nfs/dbraw/zinc/36/58/10/216365810.db2.gz	KZIMOLXYGSBLLG-UHFFFAOYSA-N	0	2	335.816	5.442	1	0		EKAFLN
O=c1c2c([nH]n1-c1ccc(Cl)cc1Cl)-c1ccccc1SC2	ZINC000100987177	219112972	/nfs/dbraw/zinc/11/29/72/219112972.db2.gz	PINMFIPGUSUDNA-UHFFFAOYSA-N	0	2	349.242	5.157	1	0		EKAFLN
O=c1c2c([nH]n1-c1cccc(Cl)c1Cl)-c1ccccc1SC2	ZINC000100988448	219113029	/nfs/dbraw/zinc/11/30/29/219113029.db2.gz	JBCNPQWUOHWEIQ-UHFFFAOYSA-N	0	2	349.242	5.157	1	0		EKAFLN
O=c1c2c([nH]n1-c1c(Cl)cccc1Cl)-c1ccccc1SC2	ZINC000101340344	219122759	/nfs/dbraw/zinc/12/27/59/219122759.db2.gz	MQBUNJZPMWBSQW-UHFFFAOYSA-N	0	2	349.242	5.157	1	0		EKAFLN
O=c1c2c([nH]n1-c1ccc(Cl)c(Cl)c1)-c1ccccc1SC2	ZINC000101340370	219122775	/nfs/dbraw/zinc/12/27/75/219122775.db2.gz	FATHARPMUZDBRB-UHFFFAOYSA-N	0	2	349.242	5.157	1	0		EKAFLN
O=c1c2c([nH]n1-c1cc(Cl)cc(Cl)c1)-c1ccccc1SC2	ZINC000101341430	219123194	/nfs/dbraw/zinc/12/31/94/219123194.db2.gz	ZPYQBPTXZLTDBP-UHFFFAOYSA-N	0	2	349.242	5.157	1	0		EKAFLN