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-])c1ccc(/N=C\c2cccc([N+](=O)[O-])c2[O-])cc1	ZINC000004530056	304232562	/nfs/dbraw/zinc/23/25/62/304232562.db2.gz	KLQIXNPZJXDJSQ-NVNXTCNLSA-N	-2	0	286.243	2.749	40	30		CFEBRL
O=C([O-])c1cccc(/N=C/c2cc([N+](=O)[O-])ccc2[O-])c1	ZINC000059465130	393624855	/nfs/dbraw/zinc/62/48/55/393624855.db2.gz	IYIAYZPXRIVRMP-OVCLIPMQSA-N	-2	0	286.243	2.749	40	30		CFEBRL
O=C([O-])c1cc(/N=C/c2ccccc2O)cc(C(=O)[O-])c1	ZINC000001713297	371701905	/nfs/dbraw/zinc/70/19/05/371701905.db2.gz	FETRQNJXKFMYQL-LZYBPNLTSA-N	-2	0	285.255	2.539	40	30	in-vitro	CFEBRL
C=CCCCCCCCC[C@@H](C(=O)[O-])[C@@H](O)CC(=O)[O-]	ZINC000031166414	171632854	/nfs/dbraw/zinc/63/28/54/171632854.db2.gz	ZFABEUFWUOOQMI-OLZOCXBDSA-N	-2	0	286.368	2.830	40	30	biogenic,in-vitro	CFEBRL
COc1ccc(/C=N/c2cccc(C(=O)[O-])c2)cc1C(=O)[O-]	ZINC000100287197	185710765	/nfs/dbraw/zinc/71/07/65/185710765.db2.gz	CIIYGZIANKFYRU-RQZCQDPDSA-N	-2	0	299.282	2.842	40	30		CFEBRL
O=C([O-])/C(=N/c1ccccc1C(=O)[O-])c1ccccc1	ZINC000017161512	304022987	/nfs/dbraw/zinc/02/29/87/304022987.db2.gz	SYZOJEHDGPQBDK-DTQAZKPQSA-N	-2	0	269.256	2.590	40	30		CFEBRL
C=CCCCCCCCC[C@H](C(=O)[O-])[C@@H](O)CC(=O)[O-]	ZINC000031166421	372406067	/nfs/dbraw/zinc/40/60/67/372406067.db2.gz	ZFABEUFWUOOQMI-STQMWFEESA-N	-2	0	286.368	2.830	40	30	biogenic,in-vitro	CFEBRL
CC1=C(CCC(=O)[O-])C(=O)[C@@H](CCC(=O)[O-])C(C)(C)C1	ZINC000001737247	371705372	/nfs/dbraw/zinc/70/53/72/371705372.db2.gz	BQRPLWREBGLFFO-LLVKDONJSA-N	-2	0	282.336	2.648	40	30		CFEBRL
O=[N+]([O-])c1cccc(/C=N/c2ccc(O)cc2)c1[O-]	ZINC000409103277	261137246	/nfs/dbraw/zinc/13/72/46/261137246.db2.gz	VSYIDBXDLCTZFP-RIYZIHGNSA-N	-2	0	258.233	2.757	40	30		CFEBRL
COc1ccc(/C=N/c2ccc(C(=O)[O-])cc2)cc1C(=O)[O-]	ZINC000100287245	375618038	/nfs/dbraw/zinc/61/80/38/375618038.db2.gz	YCQQGNPKWGJLCL-RQZCQDPDSA-N	-2	0	299.282	2.842	40	30		CFEBRL
C=CCCCCCCCC[C@@H](C(=O)[O-])[C@H](O)CC(=O)[O-]	ZINC000031166418	171632797	/nfs/dbraw/zinc/63/27/97/171632797.db2.gz	ZFABEUFWUOOQMI-CHWSQXEVSA-N	-2	0	286.368	2.830	40	30	biogenic,in-vitro	CFEBRL
O=C([O-])c1cc(/N=C\c2ccccc2O)cc(C(=O)[O-])c1	ZINC000013099330	372014108	/nfs/dbraw/zinc/01/41/08/372014108.db2.gz	FETRQNJXKFMYQL-PXNMLYILSA-N	-2	0	285.255	2.539	40	30	in-vitro	CFEBRL
C=CCCCCCCCC[C@H](C(=O)[O-])[C@H](O)CC(=O)[O-]	ZINC000031166425	372406031	/nfs/dbraw/zinc/40/60/31/372406031.db2.gz	ZFABEUFWUOOQMI-QWHCGFSZSA-N	-2	0	286.368	2.830	40	30	biogenic,in-vitro	CFEBRL
O=C([O-])c1ccc(/N=C/c2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000000351134	371593266	/nfs/dbraw/zinc/59/32/66/371593266.db2.gz	RNTSEXWPMNNXTR-OVCLIPMQSA-N	-2	0	286.243	2.749	40	30		CFEBRL
O/N=C(/C=N/N=C/C(=N\O)c1ccccc1)c1ccccc1	ZINC000225620951	382819340	/nfs/dbraw/zinc/81/93/40/382819340.db2.gz	GXVYEOGDFWASBX-UNJCYEQISA-N	-2	0	294.314	2.800	40	30		CFEBRL
O=C([O-])c1cccc(/N=C/c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000000351138	371593234	/nfs/dbraw/zinc/59/32/34/371593234.db2.gz	SNNLPWPFSLGUNN-OVCLIPMQSA-N	-2	0	286.243	2.749	40	30		CFEBRL
O=C([O-])/C(=N\c1ccccc1C(=O)[O-])c1ccccc1	ZINC000001599712	371686655	/nfs/dbraw/zinc/68/66/55/371686655.db2.gz	SYZOJEHDGPQBDK-SSZFMOIBSA-N	-2	0	269.256	2.590	40	30		CFEBRL
CC1=C(CCC(=O)[O-])C(=O)[C@H](CCC(=O)[O-])C(C)(C)C1	ZINC000005328570	170085780	/nfs/dbraw/zinc/08/57/80/170085780.db2.gz	BQRPLWREBGLFFO-NSHDSACASA-N	-2	0	282.336	2.648	40	30		CFEBRL