smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc2nc3c(=O)[n-]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C	ZINC000004353342	557545220	/nfs/dbraw/zinc/54/52/20/557545220.db2.gz	RPADDAUXKBBASM-MYZSUADSSA-N	-1	0	406.395	-2.363	40	5		HABBRM
Cc1cc2nc3c(=O)[n-]c(=O)nc-3n(C[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C	ZINC000004353343	557545279	/nfs/dbraw/zinc/54/52/79/557545279.db2.gz	RPADDAUXKBBASM-RJZRQDKASA-N	-1	0	406.395	-2.363	40	5		HABBRM
Cc1cc2nc3c(=O)[n-]c(=O)nc-3n(C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)c2cc1C	ZINC000004353344	557545314	/nfs/dbraw/zinc/54/53/14/557545314.db2.gz	RPADDAUXKBBASM-CTHBEMJXSA-N	-1	0	406.395	-2.363	40	5		HABBRM
Cc1cc2nc3c(=O)[n-]c(=O)nc-3n(C[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)c2cc1C	ZINC000004353345	557545320	/nfs/dbraw/zinc/54/53/20/557545320.db2.gz	RPADDAUXKBBASM-QHSBEEBCSA-N	-1	0	406.395	-2.363	40	5		HABBRM
O=c1nc2n(C[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)c3ccc(Cl)cc3nc-2c(=O)[n-]1	ZINC000004430761	557555118	/nfs/dbraw/zinc/55/51/18/557555118.db2.gz	ATUPVFGMRCAOBV-JULQROHOSA-N	-1	0	412.786	-2.326	40	5		HABBRM
O=c1nc2n(C[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO)c3ccc(Cl)cc3nc-2c(=O)[n-]1	ZINC000004430762	557555069	/nfs/dbraw/zinc/55/50/69/557555069.db2.gz	ATUPVFGMRCAOBV-VCDKRKBESA-N	-1	0	412.786	-2.326	40	5		HABBRM
O=c1nc2n(C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)c3ccc(Cl)cc3nc-2c(=O)[n-]1	ZINC000004430763	557555112	/nfs/dbraw/zinc/55/51/12/557555112.db2.gz	ATUPVFGMRCAOBV-XKAARJIMSA-N	-1	0	412.786	-2.326	40	5		HABBRM
O=c1nc2n(C[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)c3ccc(Cl)cc3nc-2c(=O)[n-]1	ZINC000004430764	557555131	/nfs/dbraw/zinc/55/51/31/557555131.db2.gz	ATUPVFGMRCAOBV-FPQZTECRSA-N	-1	0	412.786	-2.326	40	5		HABBRM
CC(=O)N[C@H]1[C@@H](Oc2ccc([N+](=O)[O-])cc2)O[C@@H](COS(=O)(=O)[O-])[C@@H](O)[C@H]1O	ZINC000035645779	569047035	/nfs/dbraw/zinc/04/70/35/569047035.db2.gz	UGJNMWVITHXKNR-ZSLBOAEBSA-N	-1	0	422.368	-1.256	40	5		HABBRM
CC(=O)N[C@@H]1[C@@H](Oc2ccc([N+](=O)[O-])cc2)O[C@@H](COS(=O)(=O)[O-])[C@@H](O)[C@H]1O	ZINC000035645782	569047024	/nfs/dbraw/zinc/04/70/24/569047024.db2.gz	UGJNMWVITHXKNR-HPCHECBXSA-N	-1	0	422.368	-1.256	40	5		HABBRM
CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@H](COS(=O)(=O)[O-])O[C@@H]1Oc1ccc([N+](=O)[O-])cc1	ZINC000035645786	569047037	/nfs/dbraw/zinc/04/70/37/569047037.db2.gz	UGJNMWVITHXKNR-MRTXSQPYSA-N	-1	0	422.368	-1.256	40	5		HABBRM
CC(=O)N[C@H]1[C@@H](O)[C@H](O)[C@H](COS(=O)(=O)[O-])O[C@@H]1Oc1ccc([N+](=O)[O-])cc1	ZINC000035645789	569047017	/nfs/dbraw/zinc/04/70/17/569047017.db2.gz	UGJNMWVITHXKNR-QNSTZXKLSA-N	-1	0	422.368	-1.256	40	5		HABBRM
CC(=O)N[C@@H]1[C@@H](Oc2ccc([N+](=O)[O-])cc2)O[C@@H](COS(=O)(=O)[O-])[C@H](O)[C@H]1O	ZINC000584578741	560881980	/nfs/dbraw/zinc/88/19/80/560881980.db2.gz	UGJNMWVITHXKNR-PEDHHIEDSA-N	-1	0	422.368	-1.256	40	5		HABBRM