smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1[N-]c2ccc3cc4ccccc4cc3c2C1=O	ZINC000003844872	384027803	/nfs/dbraw/zinc/02/78/03/384027803.db2.gz	BPCBNZRHEBHNHF-UHFFFAOYSA-N	-1	3	247.253	3.128	40	5		BGBBHM
O=c1c2ccccc2sc2ccc([O-])cc21	ZINC000005948598	342771848	/nfs/dbraw/zinc/77/18/48/342771848.db2.gz	ANHLDZMOXDYFMQ-UHFFFAOYSA-N	-1	3	228.272	3.120	40	5		BGBBHM
CCCc1cccc2nc3cccc([O-])c3nc12	ZINC000076495135	398242094	/nfs/dbraw/zinc/24/20/94/398242094.db2.gz	IXEALPIVOCSVPB-UHFFFAOYSA-N	-1	3	238.290	3.441	40	5		BGBBHM
CC(C)(C)c1cc(Cl)c([N+](=O)[O-])cc1[O-]	ZINC000082048733	388723488	/nfs/dbraw/zinc/72/34/88/388723488.db2.gz	JVJXUPCXKPFSRW-UHFFFAOYSA-N	-1	3	229.663	3.251	40	5		BGBBHM
O=[N+]([O-])c1cc([O-])ccc1Nc1ccccc1	ZINC000085210055	182924729	/nfs/dbraw/zinc/92/47/29/182924729.db2.gz	QADVBTSLVBVJGR-UHFFFAOYSA-N	-1	3	230.223	3.044	40	5		BGBBHM
Cc1cc(O)c2c([O-])c3c(O)cccc3cc2c1	ZINC000100090070	178197093	/nfs/dbraw/zinc/19/70/93/178197093.db2.gz	JBGKVNQFVAJOGC-UHFFFAOYSA-N	-1	3	240.258	3.418	40	5	biogenic,in-vitro	BGBBHM