smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc([O-])c(/C=N/c2cccc(C(=O)[O-])c2)c(C)c1Cl	ZINC000015134906	563789784	/nfs/dbraw/zinc/78/97/84/563789784.db2.gz	WGOPDKOYUXUQPF-QGMBQPNBSA-N	-2	3	303.745	4.111	50	30		DIEAHL
[O-]/N=C(/CCC/C(=N/[O-])c1ccc(F)cc1)c1ccc(F)cc1	ZINC000013550780	527587535	/nfs/dbraw/zinc/58/75/35/527587535.db2.gz	LKCRVSJZLQAMSA-ISPAOBMBSA-N	-2	3	318.323	4.192	50	30		DIEAHL
CC[C@@H](C)c1ccc([O-])c(/N=C/c2cc([N+](=O)[O-])ccc2[O-])c1	ZINC000013548809	563383353	/nfs/dbraw/zinc/38/33/53/563383353.db2.gz	AUECHMFWNGNVHN-VDCVXVNISA-N	-2	3	314.341	4.270	50	30		DIEAHL
CC[C@@H](C)c1ccc([O-])c(N=Cc2cc([N+](=O)[O-])ccc2[O-])c1	ZINC000252590649	563917285	/nfs/dbraw/zinc/91/72/85/563917285.db2.gz	AUECHMFWNGNVHN-LLVKDONJSA-N	-2	3	314.341	4.270	50	30		DIEAHL
CC(C)=CCc1c([O-])ccc(C(=O)/C=C/c2ccc(O)cc2)c1[O-]	ZINC000003925823	181058052	/nfs/dbraw/zinc/05/80/52/181058052.db2.gz	DUWPGRAKHMEPCM-IZZDOVSWSA-N	-2	3	324.376	4.208	50	30	biogenic,in-vitro	DIEAHL
CC(C)=CCOc1ccc(/C=C/C(=O)c2ccc([O-])cc2[O-])cc1	ZINC000031162805	563851158	/nfs/dbraw/zinc/85/11/58/563851158.db2.gz	VVSZRCIUFBADJQ-BJMVGYQFSA-N	-2	3	324.376	4.339	50	30	biogenic,in-vitro	DIEAHL
CC[C@H](C)c1ccc([O-])c(N=Cc2cc([N+](=O)[O-])ccc2[O-])c1	ZINC000252590651	563917169	/nfs/dbraw/zinc/91/71/69/563917169.db2.gz	AUECHMFWNGNVHN-NSHDSACASA-N	-2	3	314.341	4.270	50	30		DIEAHL
C=CCc1cccc(/C=N/N=C/c2cccc(CC=C)c2[O-])c1[O-]	ZINC000002979178	563318793	/nfs/dbraw/zinc/31/87/93/563318793.db2.gz	UVVAIDOOGMRXEK-JFMUQQRKSA-N	-2	3	320.392	4.008	50	30	biogenic	DIEAHL
CC(=NNc1ccc(C(=O)[O-])cc1)c1ccc2ccccc2c1[O-]	ZINC000254485274	1047213700	/nfs/dbraw/zinc/21/37/00/1047213700.db2.gz	NTXHMWPTSWKUBL-UHFFFAOYSA-N	-2	3	320.348	4.080	50	30		DIEAHL
CC[C@H](C)c1ccc([O-])c(/N=C/c2cc([N+](=O)[O-])ccc2[O-])c1	ZINC000102896127	563560187	/nfs/dbraw/zinc/56/01/87/563560187.db2.gz	AUECHMFWNGNVHN-HPAYWCODSA-N	-2	3	314.341	4.270	50	30		DIEAHL
Cc1cc([N+](=O)[O-])cc(/N=C/c2c([O-])ccc3ccccc23)c1[O-]	ZINC000102417419	256572384	/nfs/dbraw/zinc/57/23/84/256572384.db2.gz	DIARDWDCKLZBHS-VXLYETTFSA-N	-2	3	322.320	4.218	50	30		DIEAHL
O=C([O-])CC/C(=N\[O-])c1ccc(-c2ccc(Cl)cc2)cc1	ZINC000000007324	563211081	/nfs/dbraw/zinc/21/10/81/563211081.db2.gz	RQJMLGGTENDEFM-OBGWFSINSA-N	-2	3	303.745	4.050	50	30		DIEAHL