smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1cc(S(=O)(=O)[O-])c2c3c1c([O-])cc(S(=O)(=O)[O-])c3c1c3c(c([O-])cc1S(=O)(=O)[O-])c(=O)cc(S(=O)(=O)[O-])c32	ZINC000026645591	561807327	/nfs/dbraw/zinc/80/73/27/561807327.db2.gz	GWSMAELMCJMPBX-UHFFFAOYSA-N	-6	1	634.552	0.293	1	5		KCBFML
O=C([O-])CN(CC(=O)[O-])[C@H](Cc1ccc([N+](=O)[O-])cc1)C[N@@H+](CC(=O)[O-])[C@@H]1CCCC[C@H]1N(CC(=O)[O-])CC(=O)[O-]	ZINC000026820659	561820947	/nfs/dbraw/zinc/82/09/47/561820947.db2.gz	WUGZTYZQQOUTNQ-VAMGGRTRSA-N	-4	1	582.563	0.146	1	5		KCBFML
O=C([O-])CN(CC(=O)[O-])[C@@H](Cc1ccc([N+](=O)[O-])cc1)C[N@@H+](CC(=O)[O-])[C@@H]1CCCC[C@H]1N(CC(=O)[O-])CC(=O)[O-]	ZINC000027108190	561840694	/nfs/dbraw/zinc/84/06/94/561840694.db2.gz	WUGZTYZQQOUTNQ-XUVXKRRUSA-N	-4	1	582.563	0.146	1	5		KCBFML
Nc1nc(SCCc2ccc([N+](=O)[O-])cc2)nc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000049771397	562678148	/nfs/dbraw/zinc/67/81/48/562678148.db2.gz	XLXMMJNGSPQGHU-LSCFUAHRSA-N	-3	1	688.398	0.614	1	5		KCBFML
Nc1nc(SCCc2ccc([N+](=O)[O-])cc2)nc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000049771397	562678147	/nfs/dbraw/zinc/67/81/47/562678147.db2.gz	XLXMMJNGSPQGHU-LSCFUAHRSA-N	-3	1	688.398	0.614	1	5		KCBFML
O=c1[n-]c(SCc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)nc2c1ncn2[C@H]1O[C@@H](COP(=O)([O-])[O-])[C@H](O)[C@@H]1O	ZINC000049771939	562678496	/nfs/dbraw/zinc/67/84/96/562678496.db2.gz	WJJMEFLJFLSIIC-SDPXSBNPSA-N	-3	1	560.394	0.369	1	5		KCBFML
O=c1[n-]c(SCc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)nc2c1ncn2[C@@H]1O[C@@H](COP(=O)([O-])[O-])[C@H](O)[C@@H]1O	ZINC000049771940	562678519	/nfs/dbraw/zinc/67/85/19/562678519.db2.gz	WJJMEFLJFLSIIC-RKOGSIPDSA-N	-3	1	560.394	0.369	1	5		KCBFML
O=c1[n-]c(SCc2ccc([N+](=O)[O-])cc2)nc2c1ncn2[C@H]1O[C@@H](COP(=O)([O-])[O-])[C@H](O)[C@@H]1O	ZINC000049792395	562684362	/nfs/dbraw/zinc/68/43/62/562684362.db2.gz	ALYKWGHZOWMCJZ-SDPXSBNPSA-N	-3	1	515.397	0.461	1	5		KCBFML
O=c1[n-]c(SCc2ccc([N+](=O)[O-])cc2)nc2c1ncn2[C@@H]1O[C@@H](COP(=O)([O-])[O-])[C@H](O)[C@@H]1O	ZINC000049792396	562684364	/nfs/dbraw/zinc/68/43/64/562684364.db2.gz	ALYKWGHZOWMCJZ-RKOGSIPDSA-N	-3	1	515.397	0.461	1	5		KCBFML
O=c1[n-]c(SCc2cccc([N+](=O)[O-])c2)nc2c1ncn2[C@H]1O[C@@H](COP(=O)([O-])[O-])[C@H](O)[C@@H]1O	ZINC000049793184	562684605	/nfs/dbraw/zinc/68/46/05/562684605.db2.gz	SAYBAKTYBZIPAL-SDPXSBNPSA-N	-3	1	515.397	0.461	1	5		KCBFML
O=c1[n-]c(SCc2cccc([N+](=O)[O-])c2)nc2c1ncn2[C@@H]1O[C@@H](COP(=O)([O-])[O-])[C@H](O)[C@@H]1O	ZINC000049793185	562684573	/nfs/dbraw/zinc/68/45/73/562684573.db2.gz	SAYBAKTYBZIPAL-RKOGSIPDSA-N	-3	1	515.397	0.461	1	5		KCBFML
NC(=O)C[C@H](NC(=O)C1(NC(=O)[C@@H](CC(=O)[O-])Cc2ccc(C[P@](=O)([O-])O)cc2)CCCCC1)C(=O)NCCNc1ccc([N+](=O)[O-])c2nonc21	ZINC000095612455	562785498	/nfs/dbraw/zinc/78/54/98/562785498.db2.gz	LKYLLHOSMFJONU-IRLDBZIGSA-N	-2	1	746.671	0.850	1	5		KCBFML