smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CO[C@H]1O[C@H](/C=C/[P@](=O)([O-])O)[C@@H](O)[C@H](O)[C@@H]1O	ZINC000096901791	185127901	/nfs/dbraw/zinc/12/79/01/185127901.db2.gz	HWQDOFBRTDWMAY-SUHLORJESA-N	-1	1	270.174	-1.868	1	0		CAAFMM
N[C@H](C(=O)[O-])C1=C[C@@H](SC[C@H]([NH3+])C(=O)[O-])NO1	ZINC000006361271	170195286	/nfs/dbraw/zinc/19/52/86/170195286.db2.gz	BKLXHXYNMPKLBR-LFRDXLMFSA-N	-1	1	263.275	-1.712	1	0	in-vivo	CAAFMM
Cc1cn([C@H]2CO[C@H](C[P@](=O)([O-])O)O2)c(=O)[nH]c1=O	ZINC000006521275	170209539	/nfs/dbraw/zinc/20/95/39/170209539.db2.gz	XEACDODEJOMQKP-RQJHMYQMSA-N	-1	1	292.184	-1.106	1	0		CAAFMM
Cc1cn([C@H]2CO[C@@H](C[P@](=O)([O-])O)O2)c(=O)[nH]c1=O	ZINC000006521278	170209562	/nfs/dbraw/zinc/20/95/62/170209562.db2.gz	XEACDODEJOMQKP-RNFRBKRXSA-N	-1	1	292.184	-1.106	1	0		CAAFMM
C[C@@H]1O[C@H](n2c3nc(N)[n-]c(=O)c3n(C)c2=O)[C@H](O)[C@@H]1O	ZINC000027183139	171509613	/nfs/dbraw/zinc/50/96/13/171509613.db2.gz	FXRRKFRBGDPMRZ-PXMDKTAGSA-N	-1	1	297.271	-2.355	1	0		CAAFMM
[NH3+][C@@H](CCSCC(=O)NC[P@](=O)([O-])O)C(=O)[O-]	ZINC000038219453	174137304	/nfs/dbraw/zinc/13/73/04/174137304.db2.gz	INEGLOJEHZUKTD-YFKPBYRVSA-N	-1	1	286.246	-1.227	1	0		CAAFMM
[NH3+][C@H](CCSCC(=O)NC[P@](=O)([O-])O)C(=O)[O-]	ZINC000038219454	174137586	/nfs/dbraw/zinc/13/75/86/174137586.db2.gz	INEGLOJEHZUKTD-RXMQYKEDSA-N	-1	1	286.246	-1.227	1	0		CAAFMM
NC1=NC(=O)N(C[C@@H](CO)CC[P@](=O)([O-])O)CN1	ZINC000040753509	174396481	/nfs/dbraw/zinc/39/64/81/174396481.db2.gz	PZJAMWBYEASABJ-LURJTMIESA-N	-1	1	280.221	-1.540	1	0		CAAFMM
O=c1ccn(CCO[C@@H](CO)C[P@](=O)([O-])O)c(=O)[nH]1	ZINC000072175988	176334075	/nfs/dbraw/zinc/33/40/75/176334075.db2.gz	LTTSDQCTLIMWEL-ZETCQYMHSA-N	-1	1	294.200	-1.908	1	0		CAAFMM
C[C@H](COC1=C[C@H](N)N(O)C(=[NH2+])N1)OCP(=O)([O-])[O-]	ZINC000049554553	524575044	/nfs/dbraw/zinc/57/50/44/524575044.db2.gz	WOSDGDXJFVUXIQ-PHDIDXHHSA-N	-1	1	296.220	-1.311	1	0		CAAFMM
COC(=O)/C=C/C(=O)NC[C@@H](N)C(=O)NCC(=O)[O-]	ZINC000006482110	170205149	/nfs/dbraw/zinc/20/51/49/170205149.db2.gz	QXZIXAVMTMOACI-YRFDSLTASA-N	-1	1	273.245	-2.640	1	0		CAAFMM
Nc1ncn(C[C@H](CO)OC[P@](=O)([O-])O)c(=O)n1	ZINC000035259977	172092045	/nfs/dbraw/zinc/09/20/45/172092045.db2.gz	JEYKGEGRFZIHCQ-RXMQYKEDSA-N	-1	1	280.177	-2.267	1	0		CAAFMM
CC(=O)N[C@@H]1[C@@H](O)C[P@](=O)([O-])O[C@H]1[C@@H](O)[C@@H](O)CO	ZINC000040393363	174252299	/nfs/dbraw/zinc/25/22/99/174252299.db2.gz	HAVDXBJREGIILI-VRGHQRLXSA-N	-1	1	299.216	-2.850	1	0		CAAFMM
O=c1ccn(CCO[C@H](CO)C[P@](=O)([O-])O)c(=O)[nH]1	ZINC000072175989	176333991	/nfs/dbraw/zinc/33/39/91/176333991.db2.gz	LTTSDQCTLIMWEL-SSDOTTSWSA-N	-1	1	294.200	-1.908	1	0		CAAFMM
O=c1cnn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=S)[n-]1	ZINC000012959163	304819103	/nfs/dbraw/zinc/81/91/03/304819103.db2.gz	TVCBDTCUOVDLNZ-XYXSHXKPSA-N	-1	1	261.259	-2.088	1	0		CAAFMM
C[C@H](COC1=C[C@@H](N)N(O)C(=[NH2+])N1)OCP(=O)([O-])[O-]	ZINC000049554557	524576334	/nfs/dbraw/zinc/57/63/34/524576334.db2.gz	WOSDGDXJFVUXIQ-RITPCOANSA-N	-1	1	296.220	-1.311	1	0		CAAFMM
NC(=O)c1cn([C@H]2O[C@H](CO)[C@@H](O)[C@H]2O)[n-]c1=O	ZINC000049109280	527096385	/nfs/dbraw/zinc/09/63/85/527096385.db2.gz	IVBNVMOYMCYADY-JEMLMZEFSA-N	-1	1	259.218	-2.701	1	0		CAAFMM
NCC(=O)N1CCC[C@H]1C(=O)N1CC[C@H](O)[C@H]1C(=O)[O-]	ZINC000012495546	571694914	/nfs/dbraw/zinc/69/49/14/571694914.db2.gz	HVIBGVJOBJJPFB-NRPADANISA-N	-1	1	285.300	-2.018	1	0	endogenous,in-man	CAAFMM
[NH2+]=C(NC=O)N[C@@H]1O[C@H](OP(=O)([O-])[O-])[C@@H](O)[C@H]1O	ZINC000012496759	571695275	/nfs/dbraw/zinc/69/52/75/571695275.db2.gz	OKXISSDNJVDCJE-KKQCNMDGSA-N	-1	1	285.149	-3.230	1	0	endogenous,in-man	CAAFMM
Nc1nc2c(c(=O)[n-]1)N[C@H]([C@H](O)[C@@H](O)CO)[C@@H](O)N2O	ZINC000031259181	574414015	/nfs/dbraw/zinc/41/40/15/574414015.db2.gz	KQZRTOGFDRQBSR-YFIOLWERSA-N	-1	1	289.248	-3.626	1	0	endogenous,in-vitro	CAAFMM
Nc1ncnc2nn(CCOC[P@](=O)([O-])O)nc21	ZINC000005941480	170159671	/nfs/dbraw/zinc/15/96/71/170159671.db2.gz	QMENNWTZZUDWCZ-UHFFFAOYSA-N	-1	1	274.177	-1.045	1	0		CAAFMM
Cc1nc(N)nc(=O)n1C[C@@H](CO)OC[P@](=O)([O-])O	ZINC000045336110	175360716	/nfs/dbraw/zinc/36/07/16/175360716.db2.gz	GZPCVWBWELCHCB-LURJTMIESA-N	-1	1	294.204	-1.958	1	0		CAAFMM
Nc1ncnc(=O)n1C[C@@H](CO)OC[P@](=O)([O-])O	ZINC000045339625	175361371	/nfs/dbraw/zinc/36/13/71/175361371.db2.gz	PJLCZNISETZTLV-YFKPBYRVSA-N	-1	1	280.177	-2.267	1	0		CAAFMM
O=[P@@]([O-])(O)CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000013515086	560218119	/nfs/dbraw/zinc/21/81/19/560218119.db2.gz	WJEZSLBGCUKRIK-ZFYZTMLRSA-N	-1	1	274.162	-3.062	1	0	in-vitro,metabolite	CAAFMM
NCC(=O)N1CCC[C@H]1C(=O)N1CC[C@@H](O)[C@H]1C(=O)[O-]	ZINC000012495542	571694897	/nfs/dbraw/zinc/69/48/97/571694897.db2.gz	HVIBGVJOBJJPFB-XKSSXDPKSA-N	-1	1	285.300	-2.018	1	0	endogenous,in-man	CAAFMM
O=C([O-])[C@H]1O[C@@H](NCCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000031518970	571742747	/nfs/dbraw/zinc/74/27/47/571742747.db2.gz	OYNLGXUYULDVEJ-IEECTRCBSA-N	-1	1	297.307	-1.289	1	0	endogenous,in-man	CAAFMM
NC(=O)C[C@H]([NH3+])C(=O)NC(CCC(=O)[O-])C(=O)[O-]	ZINC000069486418	574415742	/nfs/dbraw/zinc/41/57/42/574415742.db2.gz	MVQDKKSIWDBEFI-BYPYZUCNSA-N	-1	1	261.234	-1.545	1	0	endogenous,in-vitro	CAAFMM
Nc1[n-]c(=O)nc2c1ncn2[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O	ZINC000006283728	170188336	/nfs/dbraw/zinc/18/83/36/170188336.db2.gz	MIKUYHXYGGJMLM-BDXYJKHTSA-N	-1	1	283.244	-2.687	1	0		CAAFMM
COC(=O)/C=C/C(=O)NC[C@@H](N)C(=O)N[C@@H](C)C(=O)[O-]	ZINC000006486906	170205478	/nfs/dbraw/zinc/20/54/78/170205478.db2.gz	PKOFSQNBHXRVDF-HKFDCFJWSA-N	-1	1	287.272	-2.252	1	0		CAAFMM
Nc1ccn([C@H]2CO[C@H](C[P@](=O)([O-])O)O2)c(=O)n1	ZINC000006524869	170209730	/nfs/dbraw/zinc/20/97/30/170209730.db2.gz	UMPPJLRQSJWELG-RQJHMYQMSA-N	-1	1	277.173	-1.125	1	0		CAAFMM
Nc1ccn([C@H]2CO[C@@H](C[P@](=O)([O-])O)O2)c(=O)n1	ZINC000006524870	170209786	/nfs/dbraw/zinc/20/97/86/170209786.db2.gz	UMPPJLRQSJWELG-RNFRBKRXSA-N	-1	1	277.173	-1.125	1	0		CAAFMM
O=c1cnn([C@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=S)[n-]1	ZINC000012959167	170523542	/nfs/dbraw/zinc/52/35/42/170523542.db2.gz	TVCBDTCUOVDLNZ-UMWONPOSSA-N	-1	1	261.259	-2.088	1	0		CAAFMM
C[C@H](Cn1cnc(N)nc1=O)OC[P@](=O)([O-])O	ZINC000035259972	172091748	/nfs/dbraw/zinc/09/17/48/172091748.db2.gz	IDSOVUSDCVUOLN-RXMQYKEDSA-N	-1	1	264.178	-1.239	1	0		CAAFMM
Cc1nc(N)n(C[C@@H](CO)OC[P@](=O)([O-])O)c(=O)n1	ZINC000045336349	175360925	/nfs/dbraw/zinc/36/09/25/175360925.db2.gz	YMQDCKOYIOZGBS-LURJTMIESA-N	-1	1	294.204	-1.958	1	0		CAAFMM
C[C@@H](O)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-]	ZINC000013542071	560219250	/nfs/dbraw/zinc/21/92/50/560219250.db2.gz	IGROJMCBGRFRGI-YTLHQDLWSA-N	-1	1	261.278	-2.212	1	0	in-vitro	CAAFMM
Nc1nc2c(c(=O)[n-]1)N[C@H]([C@@H](O)[C@@H](O)CO)[C@@H](O)N2O	ZINC000008551750	574412915	/nfs/dbraw/zinc/41/29/15/574412915.db2.gz	KQZRTOGFDRQBSR-RFKIRMDUSA-N	-1	1	289.248	-3.626	1	0	endogenous,in-vitro	CAAFMM
NC(=O)C[C@@H]([NH3+])C(=O)NC(CCC(=O)[O-])C(=O)[O-]	ZINC000069486415	574415713	/nfs/dbraw/zinc/41/57/13/574415713.db2.gz	MVQDKKSIWDBEFI-SCSAIBSYSA-N	-1	1	261.234	-1.545	1	0	endogenous,in-vitro	CAAFMM