smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc(Br)c1OC	ZINC000409350689	559247978	/nfs/dbraw/zinc/24/79/78/559247978.db2.gz	YUBSFUCANCSIMB-PLNGDYQASA-N	-2	1	412.196	3.136	40	5		HGBBML
CCOc1cc(Br)c(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc1OC	ZINC000409329704	559247859	/nfs/dbraw/zinc/24/78/59/559247859.db2.gz	HPMOQVVZUTWIBH-SNAWJCMRSA-N	-2	1	412.196	3.136	40	5		HGBBML
Cc1ccc(NC(=O)COc2ccc(C=Cc3nc([O-])c([N+](=O)[O-])c(=O)[n-]3)cc2)cc1	ZINC000409348501	560713240	/nfs/dbraw/zinc/71/32/40/560713240.db2.gz	NWIZLTBMJFQTRN-WDZFZDKYSA-N	-2	1	422.397	3.292	40	5		HGBBML
O=c1[n-]c(C=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)nc([O-])c1[N+](=O)[O-]	ZINC000409327938	559247882	/nfs/dbraw/zinc/24/78/82/559247882.db2.gz	NTBUEGKTCVTHCS-YHYXMXQVSA-N	-2	1	410.342	3.454	40	5		HGBBML
COc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1-c1ccc(C(=O)[O-])o1	ZINC000226353905	559273633	/nfs/dbraw/zinc/27/36/33/559273633.db2.gz	WZQWCSHBRZXMJQ-UHFFFAOYSA-N	-2	1	418.383	3.362	40	5		HGBBML
O=c1[n-]c(C=Cc2ccccc2OCc2ccc([N+](=O)[O-])cc2)nc([O-])c1[N+](=O)[O-]	ZINC000409350240	560713596	/nfs/dbraw/zinc/71/35/96/560713596.db2.gz	RFKWTTKGYTZYKM-JXMROGBWSA-N	-2	1	410.342	3.454	40	5		HGBBML
Cc1ccccc1NC(=O)COc1ccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc1	ZINC000409338661	559247718	/nfs/dbraw/zinc/24/77/18/559247718.db2.gz	NVZNKIHQHXCUMT-DHZHZOJOSA-N	-2	1	422.397	3.292	40	5		HGBBML
O=c1[n-]c(C=Cc2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)nc([O-])c1[N+](=O)[O-]	ZINC000409352980	559248365	/nfs/dbraw/zinc/24/83/65/559248365.db2.gz	ZVKIUSOBSCIELC-TWGQIWQCSA-N	-2	1	410.342	3.454	40	5		HGBBML
O=c1[n-]c(C=Cc2cccc(Oc3nc(Cl)ncc3F)c2)nc([O-])c1[N+](=O)[O-]	ZINC000409344231	560712019	/nfs/dbraw/zinc/71/20/19/560712019.db2.gz	ICFSYQFIDPNMIB-PLNGDYQASA-N	-2	1	405.729	3.341	40	5		HGBBML
O=c1[n-]c(C=Cc2ccc(OCc3ccccc3[N+](=O)[O-])cc2)nc([O-])c1[N+](=O)[O-]	ZINC000408603649	559220790	/nfs/dbraw/zinc/22/07/90/559220790.db2.gz	GOJOVNJSUZHTNQ-JXMROGBWSA-N	-2	1	410.342	3.454	40	5		HGBBML
COc1ccc(-c2ccc(C=Cc3nc([O-])c([N+](=O)[O-])c(=O)[n-]3)o2)c([N+](=O)[O-])c1	ZINC000409345203	560714612	/nfs/dbraw/zinc/71/46/12/560714612.db2.gz	KFKCLOMKTUYZMN-DAXSKMNVSA-N	-2	1	400.303	3.143	40	5		HGBBML