smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1ncnc2ncn(CCOCP(=O)([O-])[O-])c21	ZINC000005941473	170159984	/nfs/dbraw/zinc/15/99/84/170159984.db2.gz	KWRDJWFJFVMQRY-UHFFFAOYSA-N	-2	1	273.189	-0.440	1	0		CBAFML
[NH3+][C@@H](CCSCCOCP(=O)([O-])[O-])C(=O)[O-]	ZINC000040565470	174337251	/nfs/dbraw/zinc/33/72/51/174337251.db2.gz	FYPKAPNPOLNLQI-LURJTMIESA-N	-2	1	273.247	-0.327	1	0		CBAFML
Nc1cc2ncn(CCOCP(=O)([O-])[O-])c2c(=O)[nH]1	ZINC000096901778	185127592	/nfs/dbraw/zinc/12/75/92/185127592.db2.gz	FXMLFSBKBVSZSR-UHFFFAOYSA-N	-2	1	288.200	-0.541	1	0		CBAFML
O=C([O-])CCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-]	ZINC000034840671	574414261	/nfs/dbraw/zinc/41/42/61/574414261.db2.gz	WMTYFTFNLCUEQD-ZETCQYMHSA-N	-2	1	255.230	-0.614	1	0	endogenous,in-vitro	CBAFML
O=C([O-])CNC(=O)c1c([O-])nc2ccccn2c1=O	ZINC000068201516	527612574	/nfs/dbraw/zinc/61/25/74/527612574.db2.gz	PCDZHLFMSCQCTD-UHFFFAOYSA-N	-2	1	263.209	-0.786	1	0		CBAFML
[NH3+][C@@H](CC[P@](=O)([O-])C[C@@H](CCO)C(=O)[O-])C(=O)[O-]	ZINC000049109382	527330719	/nfs/dbraw/zinc/33/07/19/527330719.db2.gz	IPELLEGLRZLYPW-RQJHMYQMSA-N	-2	1	283.217	-0.858	1	0		CBAFML
O=C([O-])CCC(=O)N[C@H](Cc1cnc[nH]1)C(=O)[O-]	ZINC000069488567	574416423	/nfs/dbraw/zinc/41/64/23/574416423.db2.gz	WMTYFTFNLCUEQD-SSDOTTSWSA-N	-2	1	255.230	-0.614	1	0	endogenous,in-vitro	CBAFML
O=c1nc2c(I)c[n-]n2c(=O)[n-]1	ZINC000096928223	185132321	/nfs/dbraw/zinc/13/23/21/185132321.db2.gz	QMKQIWPADKSQMH-UHFFFAOYSA-N	-2	1	278.009	-0.272	1	0		CBAFML
[NH3+][C@H](CCSCCOCP(=O)([O-])[O-])C(=O)[O-]	ZINC000040565472	174337157	/nfs/dbraw/zinc/33/71/57/174337157.db2.gz	FYPKAPNPOLNLQI-ZCFIWIBFSA-N	-2	1	273.247	-0.327	1	0		CBAFML
[NH3+][C@@H](CC[P@](=O)([O-])CCP(=O)([O-])O)C(=O)[O-]	ZINC000049125589	527331684	/nfs/dbraw/zinc/33/16/84/527331684.db2.gz	VWCVVQHTGLXCCJ-YFKPBYRVSA-N	-2	1	275.134	-0.764	1	0		CBAFML
[NH3+][C@@H](CCP(=O)([O-])CC[P@@](=O)([O-])O)C(=O)[O-]	ZINC000049125589	527331691	/nfs/dbraw/zinc/33/16/91/527331691.db2.gz	VWCVVQHTGLXCCJ-YFKPBYRVSA-N	-2	1	275.134	-0.764	1	0		CBAFML
[NH3+][C@@H](CCP(=O)([O-])CC[P@](=O)([O-])O)C(=O)[O-]	ZINC000049125589	527331694	/nfs/dbraw/zinc/33/16/94/527331694.db2.gz	VWCVVQHTGLXCCJ-YFKPBYRVSA-N	-2	1	275.134	-0.764	1	0		CBAFML
O=C([O-])C[C@@H](C(=O)[O-])N1CC[P@](=O)([O-])CC1=O	ZINC000045352636	175361856	/nfs/dbraw/zinc/36/18/56/175361856.db2.gz	QTNLWQPJEVNISD-YFKPBYRVSA-N	-3	1	265.158	-0.973	1	0		CBAFML
Nc1cc2c(ncn2CCOCP(=O)([O-])[O-])c(N)n1	ZINC000005973886	170164495	/nfs/dbraw/zinc/16/44/95/170164495.db2.gz	JRUXMKVJBBRHTB-UHFFFAOYSA-N	-2	1	287.216	-0.253	1	0		CBAFML
O=C([O-])CCNC(=O)[C@H](Cc1ccccc1)NCC(=O)[O-]	ZINC000033963584	171828216	/nfs/dbraw/zinc/82/82/16/171828216.db2.gz	NRFZUXDTHMEYQN-NSHDSACASA-N	-2	1	294.307	-0.137	1	0		CBAFML