smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCn1cc[n+](CC(P(=O)([O-])O)[P@@](=O)([O-])O)c1	ZINC000095589450	185014553	/nfs/dbraw/zinc/01/45/53/185014553.db2.gz	ZHGCZVMLHXWWLN-UHFFFAOYSA-O	-1	2	299.180	-0.133	1	0		CBAFLM
CCCn1cc[n+](CC(P(=O)([O-])O)[P@](=O)([O-])O)c1	ZINC000095589450	185014554	/nfs/dbraw/zinc/01/45/54/185014554.db2.gz	ZHGCZVMLHXWWLN-UHFFFAOYSA-O	-1	2	299.180	-0.133	1	0		CBAFLM
O=c1ccn(CCCCCO[P@](=O)([O-])O)c(=O)[nH]1	ZINC000045283344	175353744	/nfs/dbraw/zinc/35/37/44/175353744.db2.gz	GDPLEAVRHZGCQA-UHFFFAOYSA-N	-1	2	278.201	-0.184	1	0		CBAFLM
O=c1ccn(CCCCCO[P@@](=O)([O-])O)c(=O)[nH]1	ZINC000045283344	175353746	/nfs/dbraw/zinc/35/37/46/175353746.db2.gz	GDPLEAVRHZGCQA-UHFFFAOYSA-N	-1	2	278.201	-0.184	1	0		CBAFLM
CCn1cc[n+](CC(P(=O)([O-])O)[P@@](=O)([O-])O)c1	ZINC000095592004	185014201	/nfs/dbraw/zinc/01/42/01/185014201.db2.gz	TVTQXNKRCUTKNG-UHFFFAOYSA-O	-1	2	285.153	-0.523	1	0		CBAFLM
CC(=O)OC[C@H](CO[P@](=O)([O-])O)OC(C)=O	ZINC000002012449	560185591	/nfs/dbraw/zinc/18/55/91/560185591.db2.gz	GYIRJTRGVDOQDH-SSDOTTSWSA-N	-1	2	256.147	-0.410	1	0	in-vitro	CBAFLM
CC(=O)OC[C@H](CO[P@@](=O)([O-])O)OC(C)=O	ZINC000002012449	560185589	/nfs/dbraw/zinc/18/55/89/560185589.db2.gz	GYIRJTRGVDOQDH-SSDOTTSWSA-N	-1	2	256.147	-0.410	1	0	in-vitro	CBAFLM
CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000005881895	560203739	/nfs/dbraw/zinc/20/37/39/560203739.db2.gz	NYVWCRXGMKGTQZ-MNOVXSKESA-N	-1	2	294.311	-0.468	1	0	in-vitro	CBAFLM
CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000005881895	560203740	/nfs/dbraw/zinc/20/37/40/560203740.db2.gz	NYVWCRXGMKGTQZ-MNOVXSKESA-N	-1	2	294.311	-0.468	1	0	in-vitro	CBAFLM
O=C([O-])CCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-]	ZINC000034840671	574414262	/nfs/dbraw/zinc/41/42/62/574414262.db2.gz	WMTYFTFNLCUEQD-ZETCQYMHSA-N	-1	2	255.230	-0.614	1	0	endogenous,in-vitro	CBAFLM
O=C([O-])CCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-]	ZINC000034840671	574414263	/nfs/dbraw/zinc/41/42/63/574414263.db2.gz	WMTYFTFNLCUEQD-ZETCQYMHSA-N	-1	2	255.230	-0.614	1	0	endogenous,in-vitro	CBAFLM
O=P([O-])(O)C(O)(C[C@@H]1CCCC[NH2+]1)[P@@](=O)([O-])O	ZINC000001536799	560181967	/nfs/dbraw/zinc/18/19/67/560181967.db2.gz	GKUBJNUBGKBXKR-LURJTMIESA-N	-1	2	289.161	-0.480	1	0	in-vitro	CBAFLM
O=P([O-])(O)C(O)(C[C@@H]1CCCC[NH2+]1)[P@](=O)([O-])O	ZINC000001536799	560181969	/nfs/dbraw/zinc/18/19/69/560181969.db2.gz	GKUBJNUBGKBXKR-LURJTMIESA-N	-1	2	289.161	-0.480	1	0	in-vitro	CBAFLM
O=c1ccn(COCCCO[P@](=O)([O-])O)c(=O)[nH]1	ZINC000045283502	175353339	/nfs/dbraw/zinc/35/33/39/175353339.db2.gz	DEVQYDPJVBYSLJ-UHFFFAOYSA-N	-1	2	280.173	-0.990	1	0		CBAFLM
O=c1ccn(COCCCO[P@@](=O)([O-])O)c(=O)[nH]1	ZINC000045283502	175353341	/nfs/dbraw/zinc/35/33/41/175353341.db2.gz	DEVQYDPJVBYSLJ-UHFFFAOYSA-N	-1	2	280.173	-0.990	1	0		CBAFLM
Cc1ccc[n+](CC(P(=O)([O-])O)[P@@](=O)([O-])O)c1	ZINC000096900284	185126978	/nfs/dbraw/zinc/12/69/78/185126978.db2.gz	LZNRFDNXLDVLHG-UHFFFAOYSA-O	-1	2	282.149	-0.036	1	0		CBAFLM
Cc1ccc[n+](CC(P(=O)([O-])O)[P@](=O)([O-])O)c1	ZINC000096900284	185126981	/nfs/dbraw/zinc/12/69/81/185126981.db2.gz	LZNRFDNXLDVLHG-UHFFFAOYSA-O	-1	2	282.149	-0.036	1	0		CBAFLM
[NH3+]C(C(=O)NCCCC(=O)[O-])C(=O)NCCCC(=O)[O-]	ZINC000138588523	351923531	/nfs/dbraw/zinc/92/35/31/351923531.db2.gz	MYYJQDWBTUUMNT-MDZDMXLPSA-N	-1	2	289.288	-0.892	2	0		CBAFLM
O=C([O-])CCC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)[O-]	ZINC000069488567	574416424	/nfs/dbraw/zinc/41/64/24/574416424.db2.gz	WMTYFTFNLCUEQD-SSDOTTSWSA-N	-1	2	255.230	-0.614	1	0	endogenous,in-vitro	CBAFLM
O=C([O-])CCC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)[O-]	ZINC000069488567	574416425	/nfs/dbraw/zinc/41/64/25/574416425.db2.gz	WMTYFTFNLCUEQD-SSDOTTSWSA-N	-1	2	255.230	-0.614	1	0	endogenous,in-vitro	CBAFLM
[NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000002047203	571682452	/nfs/dbraw/zinc/68/24/52/571682452.db2.gz	LNCFUHAPNTYMJB-DTWKUNHWSA-N	-1	2	252.274	-0.645	1	0	endogenous,in-man	CBAFLM
O=P([O-])(O)C(O)(C[C@H]1CCCC[NH2+]1)[P@@](=O)([O-])O	ZINC000003780930	560189381	/nfs/dbraw/zinc/18/93/81/560189381.db2.gz	GKUBJNUBGKBXKR-ZCFIWIBFSA-N	-1	2	289.161	-0.480	1	0	in-vitro	CBAFLM
O=P([O-])(O)C(O)(C[C@H]1CCCC[NH2+]1)[P@](=O)([O-])O	ZINC000003780930	560189383	/nfs/dbraw/zinc/18/93/83/560189383.db2.gz	GKUBJNUBGKBXKR-ZCFIWIBFSA-N	-1	2	289.161	-0.480	1	0	in-vitro	CBAFLM
O=c1ccn(CCCCO[P@](=O)([O-])O)c(=O)[nH]1	ZINC000045290262	175354023	/nfs/dbraw/zinc/35/40/23/175354023.db2.gz	GBNJFWXZTAZAOD-UHFFFAOYSA-N	-1	2	264.174	-0.574	1	0		CBAFLM
O=c1ccn(CCCCO[P@@](=O)([O-])O)c(=O)[nH]1	ZINC000045290262	175354025	/nfs/dbraw/zinc/35/40/25/175354025.db2.gz	GBNJFWXZTAZAOD-UHFFFAOYSA-N	-1	2	264.174	-0.574	1	0		CBAFLM
O=c1ncccn1[C@H]1C[C@H](O)[C@@H](CO[P@@](=O)([O-])O)O1	ZINC000013546358	351337499	/nfs/dbraw/zinc/33/74/99/351337499.db2.gz	KOQACCDGALTLCX-XLPZGREQSA-N	-1	2	292.184	-0.999	2	0	in-vitro	CBAFLM
O=c1ncccn1[C@H]1C[C@H](O)[C@@H](CO[P@](=O)([O-])O)O1	ZINC000013546358	351337505	/nfs/dbraw/zinc/33/75/05/351337505.db2.gz	KOQACCDGALTLCX-XLPZGREQSA-N	-1	2	292.184	-0.999	2	0	in-vitro	CBAFLM