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-]c(C=CC=Cc2ccccc2)nc([O-])c1[N+](=O)[O-]	ZINC000409349484	380957494	/nfs/dbraw/zinc/95/74/94/380957494.db2.gz	PQBPGSJTDSNBGJ-KBXRYBNXSA-N	-2	0	285.259	2.523	40	5		CFBBRL
COc1cc(=O)c2c([O-])c3c(C)cc([O-])cc3oc-2c1	ZINC000014815320	372073817	/nfs/dbraw/zinc/07/38/17/372073817.db2.gz	UIKVQKMDLQHSKA-UHFFFAOYSA-N	-2	0	272.256	2.674	40	5	biogenic,in-vitro	CFBBRL
O=C([O-])c1sc2ccc([N+](=O)[O-])c([O-])c2c1Cl	ZINC000228954438	304285950	/nfs/dbraw/zinc/28/59/50/304285950.db2.gz	HUADSKVZHPPINV-UHFFFAOYSA-N	-2	0	273.653	2.867	40	5		CFBBRL
O=C([O-])c1sc2c(c1Cl)c([O-])ccc2[N+](=O)[O-]	ZINC000228942656	304285717	/nfs/dbraw/zinc/28/57/17/304285717.db2.gz	FWZUWHVHRUZTDM-UHFFFAOYSA-N	-2	0	273.653	2.867	40	5		CFBBRL
O=C([O-])c1cccc(-c2cccc([N+](=O)[O-])c2[O-])c1	ZINC000040433875	304255093	/nfs/dbraw/zinc/25/50/93/304255093.db2.gz	JCFPSTQCDAZKJN-UHFFFAOYSA-N	-2	0	259.217	2.666	40	5		CFBBRL
O=C([O-])/C=C/c1c2ccc([O-])cc2oc2cc(=O)ccc1-2	ZINC000005030636	304023380	/nfs/dbraw/zinc/02/33/80/304023380.db2.gz	GKEOQSRVZYLDTJ-AATRIKPKSA-N	-2	0	282.251	2.701	40	5		CFBBRL
O=C([O-])CCc1c2ccc([O-])cc2oc2cc(=O)ccc1-2	ZINC000005159054	304064167	/nfs/dbraw/zinc/06/41/67/304064167.db2.gz	RFRSCTPKEGYARM-UHFFFAOYSA-N	-2	0	284.267	2.621	40	5		CFBBRL
O=C([O-])/C=C\c1c2ccc([O-])cc2oc2cc(=O)ccc1-2	ZINC000016920042	304024212	/nfs/dbraw/zinc/02/42/12/304024212.db2.gz	GKEOQSRVZYLDTJ-WAYWQWQTSA-N	-2	0	282.251	2.701	40	5		CFBBRL
O=c1[n-]c(C=CC=Cc2ccccc2)nc([O-])c1[N+](=O)[O-]	ZINC000409349485	380957342	/nfs/dbraw/zinc/95/73/42/380957342.db2.gz	PQBPGSJTDSNBGJ-MVTUOISNSA-N	-2	0	285.259	2.523	40	5		CFBBRL
CC(C=Cc1nc([O-])c([N+](=O)[O-])c(=O)[n-]1)=Cc1ccccc1	ZINC000015009287	277928340	/nfs/dbraw/zinc/92/83/40/277928340.db2.gz	NQLCPPMQXFYLQK-GOJKSUSPSA-N	-2	0	299.286	2.500	40	5		CFBBRL
O=[N+]([O-])c1cc(Cc2ccc([O-])c([N+](=O)[O-])c2)ccc1[O-]	ZINC000001696886	371699188	/nfs/dbraw/zinc/69/91/88/371699188.db2.gz	DTOMAXGIWFLDMR-UHFFFAOYSA-N	-2	0	290.231	2.505	40	5		CFBBRL
O=[N+]([O-])c1ccccc1SN=c1[n-]nc([S-])s1	ZINC000016450555	372107385	/nfs/dbraw/zinc/10/73/85/372107385.db2.gz	ROWPBUKLCWFPQC-UHFFFAOYSA-N	-2	0	286.363	2.854	40	5		CFBBRL