smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)([O-])O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(C)=O)[C@H]1O	ZINC000004097322	560194567	/nfs/dbraw/zinc/19/45/67/560194567.db2.gz	SBVCMDTYCKPOOK-NVWDDTSBSA-N	-1	2	565.480	-0.827	10	0	in-vitro	KBAELM
CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)([O-])O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(C)=O)[C@H]1O	ZINC000004097322	560194565	/nfs/dbraw/zinc/19/45/65/560194565.db2.gz	SBVCMDTYCKPOOK-NVWDDTSBSA-N	-1	2	565.480	-0.827	10	0	in-vitro	KBAELM
CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1[C@@H](O)[C@H](n2cnc3c2ncnc3N(C)C)O[C@@H]1CO[P@](=O)([O-])O	ZINC000004097326	560194630	/nfs/dbraw/zinc/19/46/30/560194630.db2.gz	DXFVIAQLRPNPPO-PXBBLBRZSA-N	-1	2	579.507	-0.802	10	0	in-vitro	KBAELM
CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1[C@@H](O)[C@H](n2cnc3c2ncnc3N(C)C)O[C@@H]1CO[P@@](=O)([O-])O	ZINC000004097326	560194628	/nfs/dbraw/zinc/19/46/28/560194628.db2.gz	DXFVIAQLRPNPPO-PXBBLBRZSA-N	-1	2	579.507	-0.802	10	0	in-vitro	KBAELM
CN(CCOc1ccc(C[C@H]2SC(=O)NC2=O)cc1)c1ccc(O[C@@H]2O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]2O)cn1	ZINC000077300973	553660568	/nfs/dbraw/zinc/66/05/68/553660568.db2.gz	QGESYIGEZXWVIN-WOVRKRFXSA-N	-1	2	549.558	-0.238	10	0	in-vitro	KBAELM
CN(CCOc1ccc(C[C@@H]2SC(=O)NC2=O)cc1)c1ccc(O[C@@H]2O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]2O)cn1	ZINC000077300977	553660672	/nfs/dbraw/zinc/66/06/72/553660672.db2.gz	QGESYIGEZXWVIN-HXRGCIEXSA-N	-1	2	549.558	-0.238	10	0	in-vitro	KBAELM
CCN1CCN(C(=O)N[C@@H](C(=O)N[C@H](C(=O)[O-])[C@@H]2[NH2+][C@@H](C(=O)[O-])C(C)(C)S2)c2ccccc2)C(=O)C1=O	ZINC000077312497	553663587	/nfs/dbraw/zinc/66/35/87/553663587.db2.gz	OKSUEATVFIVTFV-WBTNSWJXSA-N	-1	2	535.579	-0.408	10	0	in-vitro	KBAELM