smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1NCc2c1c1c3cc(/C=C/n4cc[nH+]c4)ccc3n3c1c1c2c2ccccc2n1C[C@@H](CO)C3	ZINC000028819593	563080442	/nfs/dbraw/zinc/08/04/42/563080442.db2.gz	LMWATYNKYSUDRB-PDFOZTTASA-N	1	2	473.536	4.592	1	5		JJBFLO
CCc1cc(OCc2ccc3c(c2)c(=O)c2ccccc2cc3-c2nn[nH]n2)c2c([nH+]1)CCCC2	ZINC000013742168	562987177	/nfs/dbraw/zinc/98/71/77/562987177.db2.gz	SFABNWVQLDOCBF-UHFFFAOYSA-N	1	2	463.541	4.949	1	5		JJBFLO
O=C1NCc2c1c1c3cc(/C=C/n4cc[nH+]c4)ccc3n3c1c1c2c2ccccc2n1C[C@H](CO)C3	ZINC000028819595	563080554	/nfs/dbraw/zinc/08/05/54/563080554.db2.gz	LMWATYNKYSUDRB-KOEDOTQGSA-N	1	2	473.536	4.592	1	5		JJBFLO
Nc1nc(N)c(-c2ccc(CNc3ccc([N+](=O)[O-])cc3)cc2)c(COCc2ccccc2)[nH+]1	ZINC000013686047	562984462	/nfs/dbraw/zinc/98/44/62/562984462.db2.gz	ZYAZVTWKLXIJIM-UHFFFAOYSA-N	1	2	456.506	4.545	1	5		JJBFLO
Cn1c[nH+]cc1CN1CC[C@@H](c2ccccc2Br)[C@H]([N+](=O)[O-])[C@H]1c1ccccc1	ZINC000028713120	563077249	/nfs/dbraw/zinc/07/72/49/563077249.db2.gz	KIDWWVDWSSWKTP-NNWRFLSQSA-N	1	2	455.356	4.559	1	5		JJBFLO
COc1cc2ncc3c(N)[nH+]c(-c4cncc(Nc5ccccc5CO)c4)cc3c2cc1OC	ZINC000045284301	563183646	/nfs/dbraw/zinc/18/36/46/563183646.db2.gz	BAUTZWGIVLAQTR-UHFFFAOYSA-N	1	2	453.502	4.680	1	5		JJBFLO
O=[N+]([O-])c1cc2c(cc1N1CCN(c3cccc[nH+]3)CC1)ncnc2NCCc1ccc(Cl)cc1	ZINC000027632620	563047718	/nfs/dbraw/zinc/04/77/18/563047718.db2.gz	JEZBVICHWOJBFB-UHFFFAOYSA-N	1	2	489.967	4.568	1	5		JJBFLO
O=C1NCc2c1c1c3cc(/C=C/Cn4cc[nH+]c4)ccc3n3c1c1c2c2ccccc2n1C[C@H](CO)C3	ZINC000028819599	563080563	/nfs/dbraw/zinc/08/05/63/563080563.db2.gz	OFYGMIJOYCZKPM-RTLBZRNLSA-N	1	2	487.563	4.678	1	5		JJBFLO
COc1cc2ncc3c(N)[nH+]c(-c4cncc(Nc5ccc(CCO)cc5)c4)cc3c2cc1OC	ZINC000045256335	563182714	/nfs/dbraw/zinc/18/27/14/563182714.db2.gz	DIVNIHJWNGYGEI-UHFFFAOYSA-N	1	2	467.529	4.723	1	5		JJBFLO
COc1cc2ncc3c(N)[nH+]c(-c4cncc(Nc5ccccc5CCO)c4)cc3c2cc1OC	ZINC000045316771	563187540	/nfs/dbraw/zinc/18/75/40/563187540.db2.gz	HHLKACXFOZWRPH-UHFFFAOYSA-N	1	2	467.529	4.723	1	5		JJBFLO
Cn1c[nH+]c(CN2CC[C@@H](c3ccccc3Br)[C@H]([N+](=O)[O-])[C@H]2c2ccccc2)c1	ZINC000028713119	563077246	/nfs/dbraw/zinc/07/72/46/563077246.db2.gz	MHDZBYOWPSWLSX-NNWRFLSQSA-N	1	2	455.356	4.559	1	5		JJBFLO
Nc1nc(N)c(-c2ccc(NCc3ccc([N+](=O)[O-])cc3)cc2)c(COCc2ccccc2)[nH+]1	ZINC000013685982	562984394	/nfs/dbraw/zinc/98/43/94/562984394.db2.gz	MOFWLTYYTPWVCA-UHFFFAOYSA-N	1	2	456.506	4.545	1	5		JJBFLO
COc1cc2ncc3c(N)[nH+]c(-c4cncc(Nc5cccc(CO)c5)c4)cc3c2cc1OC	ZINC000045259237	563183043	/nfs/dbraw/zinc/18/30/43/563183043.db2.gz	FFWNZIAZKHNJHQ-UHFFFAOYSA-N	1	2	453.502	4.680	1	5		JJBFLO
O=C1NCc2c1c1c3cc(/C=C/Cn4cc[nH+]c4)ccc3n3c1c1c2c2ccccc2n1C[C@@H](CO)C3	ZINC000028819597	563080481	/nfs/dbraw/zinc/08/04/81/563080481.db2.gz	OFYGMIJOYCZKPM-GNAXCBTBSA-N	1	2	487.563	4.678	1	5		JJBFLO
CC(C)(C)c1cc(C(=O)Cn2c3cc([N+](=O)[O-])ccc3[nH+]c2NCCCO)cc(C(C)(C)C)c1O	ZINC000053229348	563205233	/nfs/dbraw/zinc/20/52/33/563205233.db2.gz	ZTYGXGANQAEXEB-UHFFFAOYSA-N	1	2	482.581	4.922	1	5		JJBFLO
Cn1c[nH+]cc1[C@@](O)(c1cc2cc([N+](=O)[O-])cc(-c3ccccc3)c2o1)c1ccc([N+](=O)[O-])cc1	ZINC000040409058	563140439	/nfs/dbraw/zinc/14/04/39/563140439.db2.gz	TYNWPOCZDGESRZ-RUZDIDTESA-N	1	2	470.441	4.934	1	5		JJBFLO
Cn1c[nH+]cc1[C@](O)(c1cc2cc([N+](=O)[O-])cc(-c3ccccc3)c2o1)c1ccc([N+](=O)[O-])cc1	ZINC000040409054	563140460	/nfs/dbraw/zinc/14/04/60/563140460.db2.gz	TYNWPOCZDGESRZ-VWLOTQADSA-N	1	2	470.441	4.934	1	5		JJBFLO
O=[N+]([O-])c1ccc(NCCNc2ncc(-c3[nH]cc[nH+]3)c(-c3ccc(Cl)cc3Cl)n2)nc1	ZINC000040860709	563150015	/nfs/dbraw/zinc/15/00/15/563150015.db2.gz	GUMBZKISKUIHJB-UHFFFAOYSA-N	1	2	471.308	4.668	1	5	in-vivo	JJBFLO
NC(=[NH2+])Nc1ccc(NC(=O)c2cc3cc4ccccc4cc3c(I)c2O)cc1	ZINC000026160589	563022822	/nfs/dbraw/zinc/02/28/22/563022822.db2.gz	CMNQRWIDOWCLAC-UHFFFAOYSA-N	1	2	496.308	4.861	1	5		JJBFLO
O=C(C=Cc1ccc(-c2c[nH]c[nH+]2)cc1)Nc1ccc(-c2nc3ccc([N+](=O)[O-])cc3n2O)cc1	ZINC000045287554	563184210	/nfs/dbraw/zinc/18/42/10/563184210.db2.gz	GCPFGFXUTLVIFY-KGVSQERTSA-N	1	2	466.457	4.891	1	5		JJBFLO
CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H]1c2ccc(O)c([N+](=O)[O-])c2CC[C@@H]1[NH+]1CCCC1	ZINC000027857770	563052058	/nfs/dbraw/zinc/05/20/58/563052058.db2.gz	XSXJTNWSORISBN-UGKGYDQZSA-N	1	2	478.376	4.760	1	5		JJBFLO
COc1cc2ncc3c(N)[nH+]c(-c4cncc(Nc5ccc(CO)cc5)c4)cc3c2cc1OC	ZINC000045256833	563182783	/nfs/dbraw/zinc/18/27/83/563182783.db2.gz	HVLQLXFZSIVPJQ-UHFFFAOYSA-N	1	2	453.502	4.680	1	5		JJBFLO