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)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C	ZINC000004353342	557545225	/nfs/dbraw/zinc/54/52/25/557545225.db2.gz	RPADDAUXKBBASM-MYZSUADSSA-N	0	2	406.395	-2.363	40	5		HABBLN
Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C	ZINC000004353343	557545282	/nfs/dbraw/zinc/54/52/82/557545282.db2.gz	RPADDAUXKBBASM-RJZRQDKASA-N	0	2	406.395	-2.363	40	5		HABBLN
Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)c2cc1C	ZINC000004353344	557545316	/nfs/dbraw/zinc/54/53/16/557545316.db2.gz	RPADDAUXKBBASM-CTHBEMJXSA-N	0	2	406.395	-2.363	40	5		HABBLN
Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)c2cc1C	ZINC000004353345	557545321	/nfs/dbraw/zinc/54/53/21/557545321.db2.gz	RPADDAUXKBBASM-QHSBEEBCSA-N	0	2	406.395	-2.363	40	5		HABBLN
O=c1nc2n(C[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)c3ccc(Cl)cc3nc-2c(=O)[nH]1	ZINC000004430761	557555122	/nfs/dbraw/zinc/55/51/22/557555122.db2.gz	ATUPVFGMRCAOBV-JULQROHOSA-N	0	2	412.786	-2.326	40	5		HABBLN
O=c1nc2n(C[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO)c3ccc(Cl)cc3nc-2c(=O)[nH]1	ZINC000004430762	557555072	/nfs/dbraw/zinc/55/50/72/557555072.db2.gz	ATUPVFGMRCAOBV-VCDKRKBESA-N	0	2	412.786	-2.326	40	5		HABBLN
O=c1nc2n(C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)c3ccc(Cl)cc3nc-2c(=O)[nH]1	ZINC000004430763	557555114	/nfs/dbraw/zinc/55/51/14/557555114.db2.gz	ATUPVFGMRCAOBV-XKAARJIMSA-N	0	2	412.786	-2.326	40	5		HABBLN
O=c1nc2n(C[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)c3ccc(Cl)cc3nc-2c(=O)[nH]1	ZINC000004430764	557555134	/nfs/dbraw/zinc/55/51/34/557555134.db2.gz	ATUPVFGMRCAOBV-FPQZTECRSA-N	0	2	412.786	-2.326	40	5		HABBLN