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-])/C=C/NCc1ccccc1[O-]	236444029	573681686	/nfs/dbraw/zinc/68/16/86/573681686.db2.gz	FRUIDMQSULXDPZ-AATRIKPKSA-N	-2	3	193.202	1.080	10	10		ADCEHL
Cc1cc(C(=O)[O-])c(F)c([O-])c1O	258148074	573820908	/nfs/dbraw/zinc/82/09/08/573820908.db2.gz	TXYWRYSMCPFJHX-UHFFFAOYSA-N	-2	3	186.138	1.244	10	10		ADCEHL
[N-]=[N+]=NC([O-])=C([O-])c1ccccc1	224386658	573605679	/nfs/dbraw/zinc/60/56/79/573605679.db2.gz	LPSOYPYPTNOCTI-MRVPVSSYSA-N	-2	3	177.163	1.498	10	10		ADCEHL
O=C([O-])/C=C\NCc1ccccc1[O-]	308432375	573782971	/nfs/dbraw/zinc/78/29/71/573782971.db2.gz	FRUIDMQSULXDPZ-WAYWQWQTSA-N	-2	3	193.202	1.080	10	10		ADCEHL
Cc1c2cn[n-]cc-2c(=O)c(O)c1[O-]	238535707	573844754	/nfs/dbraw/zinc/84/47/54/573844754.db2.gz	BSRVPWSOGGDDQF-UHFFFAOYSA-N	-2	3	192.174	1.055	10	10		ADCEHL
O=C([O-])c1sc2ncccc2c1[O-]	84228188	171223252	/nfs/dbraw/zinc/22/32/52/171223252.db2.gz	YVYQYTWFDUOYPC-UHFFFAOYSA-N	-2	3	195.199	1.700	10	10		ADCEHL
[N-]=[N+]=NC([O-])=C([O-])c1ccccc1	224386611	573602344	/nfs/dbraw/zinc/60/23/44/573602344.db2.gz	LPSOYPYPTNOCTI-QMMMGPOBSA-N	-2	3	177.163	1.498	10	10		ADCEHL