smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cn([C@@H]2C[C@H](F)[C@H](CO[P@@](=O)([O-])O)O2)c(=O)[nH]c1=O	ZINC000006504926	181346864	/nfs/dbraw/zinc/34/68/64/181346864.db2.gz	GGCAVPJXJISBOA-FXQIFTODSA-N	-1	2	324.201	-0.420	10	0		DBAELM
Cc1cn([C@@H]2C[C@H](F)[C@H](CO[P@](=O)([O-])O)O2)c(=O)[nH]c1=O	ZINC000006504926	181346865	/nfs/dbraw/zinc/34/68/65/181346865.db2.gz	GGCAVPJXJISBOA-FXQIFTODSA-N	-1	2	324.201	-0.420	10	0		DBAELM
Cc1cc(=O)n2c(Cc3n[nH]c4nc(C)cc(=O)n34)n[n-]c2n1	ZINC000334162818	257262546	/nfs/dbraw/zinc/26/25/46/257262546.db2.gz	RZIUZXIJMVHKAO-UHFFFAOYSA-N	-1	2	312.293	-0.644	10	0		DBAELM
Cc1cn([C@@H]2C[C@@H](F)[C@H](CO[P@@](=O)([O-])O)O2)c(=O)[nH]c1=O	ZINC000002047613	302320666	/nfs/dbraw/zinc/32/06/66/302320666.db2.gz	GGCAVPJXJISBOA-CSMHCCOUSA-N	-1	2	324.201	-0.420	10	0		DBAELM
Cc1cn([C@@H]2C[C@@H](F)[C@H](CO[P@](=O)([O-])O)O2)c(=O)[nH]c1=O	ZINC000002047613	302320667	/nfs/dbraw/zinc/32/06/67/302320667.db2.gz	GGCAVPJXJISBOA-CSMHCCOUSA-N	-1	2	324.201	-0.420	10	0		DBAELM
Cc1cn([C@H]2C=C[C@@H](CO[P@@](=O)([O-])O)O2)c(=O)[nH]c1=O	ZINC000006521243	181348450	/nfs/dbraw/zinc/34/84/50/181348450.db2.gz	XLPGURCDSRIXFL-JGVFFNPUSA-N	-1	2	304.195	-0.592	10	0	in-vivo	DBAELM
Cc1cn([C@H]2C=C[C@@H](CO[P@](=O)([O-])O)O2)c(=O)[nH]c1=O	ZINC000006521243	181348455	/nfs/dbraw/zinc/34/84/55/181348455.db2.gz	XLPGURCDSRIXFL-JGVFFNPUSA-N	-1	2	304.195	-0.592	10	0	in-vivo	DBAELM
O=c1[nH]cnc2c1ncn2[C@H]1CC[C@@H](CO[P@](=O)([O-])O)O1	ZINC000033505426	375009565	/nfs/dbraw/zinc/00/95/65/375009565.db2.gz	BMTWSILZBROYGX-NKWVEPMBSA-N	-1	2	316.210	-0.094	10	0		DBAELM
O=c1[nH]cnc2c1ncn2[C@H]1CC[C@@H](CO[P@@](=O)([O-])O)O1	ZINC000033505426	375009570	/nfs/dbraw/zinc/00/95/70/375009570.db2.gz	BMTWSILZBROYGX-NKWVEPMBSA-N	-1	2	316.210	-0.094	10	0		DBAELM
CC(C)[C@@H]1OCC[C@H]1C(=O)N1CC2N=NC(=O)N2C[C@H]1C(=O)[O-]	ZINC000333578251	519807350	/nfs/dbraw/zinc/80/73/50/519807350.db2.gz	NLMJZTDPCROIIU-YWVKMMECSA-N	-1	2	324.337	-0.160	10	0		DBAELM
C[C@@H](NC(=O)Cc1csc(NS(C)(=O)=O)n1)C(=O)[O-]	ZINC000037434603	182892769	/nfs/dbraw/zinc/89/27/69/182892769.db2.gz	XDFZDBUIXGWDBR-RXMQYKEDSA-N	-1	2	307.353	-0.354	10	0		DBAELM
C[C@@](O)(CNS(=O)(=O)c1cc(C(=O)[O-])no1)C(F)(F)F	ZINC000704995586	977266028	/nfs/dbraw/zinc/26/60/28/977266028.db2.gz	RGSRLUYPGIMOBI-SSDOTTSWSA-N	-1	2	318.229	-0.036	10	0		DBAELM
Cc1cn([C@H]2C[C@@H](F)[C@@H](CO[P@@](=O)([O-])O)O2)c(=O)[nH]c1=O	ZINC000012503209	377583757	/nfs/dbraw/zinc/58/37/57/377583757.db2.gz	GGCAVPJXJISBOA-BWZBUEFSSA-N	-1	2	324.201	-0.420	10	0		DBAELM
Cc1cn([C@H]2C[C@@H](F)[C@@H](CO[P@](=O)([O-])O)O2)c(=O)[nH]c1=O	ZINC000012503209	377583762	/nfs/dbraw/zinc/58/37/62/377583762.db2.gz	GGCAVPJXJISBOA-BWZBUEFSSA-N	-1	2	324.201	-0.420	10	0		DBAELM
Cc1cn([C@H]2C[C@H](F)[C@@H](CO[P@@](=O)([O-])O)O2)c(=O)[nH]c1=O	ZINC000006521360	302321164	/nfs/dbraw/zinc/32/11/64/302321164.db2.gz	GGCAVPJXJISBOA-XLPZGREQSA-N	-1	2	324.201	-0.420	10	0	in-vivo	DBAELM
Cc1cn([C@H]2C[C@H](F)[C@@H](CO[P@](=O)([O-])O)O2)c(=O)[nH]c1=O	ZINC000006521360	302321165	/nfs/dbraw/zinc/32/11/65/302321165.db2.gz	GGCAVPJXJISBOA-XLPZGREQSA-N	-1	2	324.201	-0.420	10	0	in-vivo	DBAELM
O=c1[nH]c(-c2cn[nH]n2)nc([O-])c1I	ZINC000158779675	375081199	/nfs/dbraw/zinc/08/11/99/375081199.db2.gz	HPVBDOMNKDEEOF-UHFFFAOYSA-N	-1	2	305.035	-0.135	10	0		DBAELM
[NH3+][C@@H](Cc1ccc(OCO[P@@](=O)([O-])O)c(O)c1)C(=O)[O-]	ZINC000584605868	337371627	/nfs/dbraw/zinc/37/16/27/337371627.db2.gz	KMAHWMQGZCNWCT-ZETCQYMHSA-N	-1	2	307.195	-0.208	10	0		DBAELM
[NH3+][C@@H](Cc1ccc(OCO[P@](=O)([O-])O)c(O)c1)C(=O)[O-]	ZINC000584605868	337371628	/nfs/dbraw/zinc/37/16/28/337371628.db2.gz	KMAHWMQGZCNWCT-ZETCQYMHSA-N	-1	2	307.195	-0.208	10	0		DBAELM
C[C@](O)(CNS(=O)(=O)c1cc(C(=O)[O-])no1)C(F)(F)F	ZINC000704995587	977266178	/nfs/dbraw/zinc/26/61/78/977266178.db2.gz	RGSRLUYPGIMOBI-ZETCQYMHSA-N	-1	2	318.229	-0.036	10	0		DBAELM
[NH3+][C@@H](CCC(=O)Nc1cccc([P@@](=O)([O-])O)c1)C(=O)[O-]	ZINC000140105900	375218465	/nfs/dbraw/zinc/21/84/65/375218465.db2.gz	GUIBWPUYFORIJX-VIFPVBQESA-N	-1	2	302.223	-0.380	10	0		DBAELM
[NH3+][C@@H](CCC(=O)Nc1cccc([P@](=O)([O-])O)c1)C(=O)[O-]	ZINC000140105900	375218470	/nfs/dbraw/zinc/21/84/70/375218470.db2.gz	GUIBWPUYFORIJX-VIFPVBQESA-N	-1	2	302.223	-0.380	10	0		DBAELM