smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cccc(Nc2cc(C)nc3ccccc32)c1	ZINC000000279024	179158657	/nfs/dbraw/zinc/15/86/57/179158657.db2.gz	WXONCCZMWXIBBL-UHFFFAOYSA-N	0	1	248.329	4.595	40	0		BJABMN
Cc1ccc(C(C)C)c(S)c1C(C)C	ZINC000031628715	178452310	/nfs/dbraw/zinc/45/23/10/178452310.db2.gz	CWEJQKQWZFZSQY-UHFFFAOYSA-N	0	1	208.370	4.531	40	0		BJABMN
CC(C)(C)c1ccc(S)c(C(C)(C)C)c1	ZINC000032150720	343229999	/nfs/dbraw/zinc/22/99/99/343229999.db2.gz	ACJAQOIIEMFTGS-UHFFFAOYSA-N	0	1	222.397	4.570	40	0		BJABMN
O=Nc1cc(-c2ccccc2)c2ccccc2c1O	ZINC000090676759	384068268	/nfs/dbraw/zinc/06/82/68/384068268.db2.gz	QZFBEANELUTUEV-UHFFFAOYSA-N	0	1	249.269	4.610	40	0		BJABMN
CC(C)(C)c1ccc(-c2cccc(S)c2)cc1	ZINC000095728285	187287727	/nfs/dbraw/zinc/28/77/27/187287727.db2.gz	ADZXNISUADVUEC-UHFFFAOYSA-N	0	1	242.387	4.940	40	0		BJABMN
CC(C)c1cccc(-c2ccc(S)cc2)c1	ZINC000095728359	385595730	/nfs/dbraw/zinc/59/57/30/385595730.db2.gz	TWVYKUXEJAUYKL-UHFFFAOYSA-N	0	1	228.360	4.766	40	0		BJABMN
CC(C)c1cccc(-c2cccc(S)c2)c1	ZINC000095728364	387003005	/nfs/dbraw/zinc/00/30/05/387003005.db2.gz	QLDJFKHOTVWGTC-UHFFFAOYSA-N	0	1	228.360	4.766	40	0		BJABMN
CC(C)c1ccccc1-c1ccc(S)cc1	ZINC000095728366	387003411	/nfs/dbraw/zinc/00/34/11/387003411.db2.gz	GUEYPFVEOLNTQT-UHFFFAOYSA-N	0	1	228.360	4.766	40	0		BJABMN
CC(C)c1ccccc1-c1cccc(S)c1	ZINC000095728368	387002307	/nfs/dbraw/zinc/00/23/07/387002307.db2.gz	UTTDFKMQRMFMGL-UHFFFAOYSA-N	0	1	228.360	4.766	40	0		BJABMN