smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCCCCCCCCCCCC(=O)C1=C([O-])OC(CO)C1=O	ZINC000100870947	581095058	/nfs/dbraw/zinc/09/50/58/581095058.db2.gz	XXVADODARBQRBQ-GOSISDBHSA-N	-1	3	368.514	4.767	1	30	in-vivo	FJEFHM
O=C(CCCCCCc1nc(-c2ccc3ccccc3c2)cs1)N[O-]	ZINC000013554063	581101960	/nfs/dbraw/zinc/10/19/60/581101960.db2.gz	AZAMRNHHPDXYRI-UHFFFAOYSA-N	-1	3	354.475	4.962	1	30		FJEFHM
CNc1c(/C=N/[O-])ccc(-c2ccc(OC)cc2)c1-c1ccc(OC)cc1	ZINC000036471560	205016629	/nfs/dbraw/zinc/01/66/29/205016629.db2.gz	YYRSOLWQJIEZOF-ZVHZXABRSA-N	-1	3	362.429	4.888	1	30		FJEFHM
C=CCN1CCc2c(Cl)c([O-])c(O)cc2[C@H](c2cccc(Cl)c2)C1	ZINC000027109199	210161510	/nfs/dbraw/zinc/16/15/10/210161510.db2.gz	LTRCERARFPTVSG-INIZCTEOSA-N	-1	3	364.272	4.581	1	30		FJEFHM
Cc1cc(-c2cccc3cc[nH]c32)c(/C=N/[O-])c2c1NC(C)(C)[C@H](O)[C@H]2C	ZINC000066074241	221239050	/nfs/dbraw/zinc/23/90/50/221239050.db2.gz	ZNQLLDCABLWAAE-PDGJQUPESA-N	-1	3	363.461	4.620	1	30		FJEFHM
C=CCN1CCc2c(Cl)c([O-])c(O)cc2[C@@H](c2cccc(Cl)c2)C1	ZINC000027109196	210161727	/nfs/dbraw/zinc/16/17/27/210161727.db2.gz	LTRCERARFPTVSG-MRXNPFEDSA-N	-1	3	364.272	4.581	1	30		FJEFHM
O=[N+]([O-])c1ccc(/N=C(/Cc2ccc(F)cc2)c2ccc(O)c([O-])c2)cc1	ZINC000049088344	205168697	/nfs/dbraw/zinc/16/86/97/205168697.db2.gz	ZZVODIIBBYUNHO-PYCFMQQDSA-N	-1	3	366.348	4.509	1	30		FJEFHM
C=CCOc1ccccc1N=NC(C#N)=N[N-]c1ccccc1OCC=C	ZINC000017258721	211182706	/nfs/dbraw/zinc/18/27/06/211182706.db2.gz	JLABBJVNZOOAQG-VZNOJRCNSA-N	-1	3	361.405	4.849	1	30		FJEFHM
[O-]c1ccccc1C#CCO[C@@H](c1cccs1)c1cccnc1Cl	ZINC000103259576	210108579	/nfs/dbraw/zinc/10/85/79/210108579.db2.gz	GXHAQDFDEJOABV-GOSISDBHSA-N	-1	3	355.846	4.660	1	30		FJEFHM
[O-]N=C1CCc2cc(-c3nc(-c4ccccc4)[nH]c3-c3ccncc3)ccc21	ZINC000100061194	222234304	/nfs/dbraw/zinc/23/43/04/222234304.db2.gz	VSBSSDLCXXCVJB-OOAXWGSJSA-N	-1	3	366.424	4.930	1	30		FJEFHM
[O-]/N=C1/CCc2cc(-c3[nH]c(-c4ccccc4)nc3-c3ccncc3)ccc21	ZINC000100061194	222234307	/nfs/dbraw/zinc/23/43/07/222234307.db2.gz	VSBSSDLCXXCVJB-OOAXWGSJSA-N	-1	3	366.424	4.930	1	30		FJEFHM
Cc1ccc(/N=C(/Cc2ccc(F)cc2)c2ccc(O)c([O-])c2O)cc1	ZINC000049089561	221019485	/nfs/dbraw/zinc/01/94/85/221019485.db2.gz	NWDGLLMNPPWKRA-NKFKGCMQSA-N	-1	3	351.377	4.614	1	30		FJEFHM
CSc1ccc(/C=C2/c3ccc(F)cc3C(CC(=O)N[O-])=C2C)cc1	ZINC000102258989	222292680	/nfs/dbraw/zinc/29/26/80/222292680.db2.gz	JNCAUXYUYHYVCH-RQZCQDPDSA-N	-1	3	355.434	4.771	1	30		FJEFHM
O=C(CC1CCCCC1)[C@@H]1c2cccc([O-])c2C(=O)C2=C1CCCC2=O	ZINC000100980985	222259340	/nfs/dbraw/zinc/25/93/40/222259340.db2.gz	HKDJQWOVWXEXOQ-LJQANCHMSA-N	-1	3	352.430	4.744	1	30		FJEFHM
[O-]/N=C1\CCc2cc(-c3cn(C4CCCC4)nc3-c3ccncc3)ccc21	ZINC000040425164	208253253	/nfs/dbraw/zinc/25/32/53/208253253.db2.gz	UMEKRJBKRPLHKL-NJNXFGOHSA-N	-1	3	358.445	4.852	1	30		FJEFHM
CN1c2cccc3c([O-])c4ccccc4c(c32)/C(=N/C2CCCCC2)C1=O	ZINC000002501017	132383620	/nfs/dbraw/zinc/38/36/20/132383620.db2.gz	HFXZEKOBEMLDQU-FLFQWRMESA-N	-1	3	358.441	4.797	1	30		FJEFHM