smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[P@]([O-])(O)[C@H](CCCc1cccc(Oc2ccc(Cl)c(Cl)c2)c1)S(=O)(=O)[O-]	ZINC000040422960	563142066	/nfs/dbraw/zinc/14/20/66/563142066.db2.gz	RSJKGCWWIOKROE-INIZCTEOSA-N	-2	1	455.252	4.500	1	0		JJAFML
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[N@@H+](C)CCO[P@](=O)([O-])OP(=O)([O-])[O-]	ZINC000013473658	562966373	/nfs/dbraw/zinc/96/63/73/562966373.db2.gz	OEMBPHBKZPOPBN-NWLVNBMCSA-N	-2	1	453.453	4.954	1	0	in-vivo	JJAFML
CC(C)CCc1ccccc1Oc1cccc(CCC[C@H]([P@](=O)([O-])O)S(=O)(=O)[O-])c1	ZINC000013746423	562988086	/nfs/dbraw/zinc/98/80/86/562988086.db2.gz	HEKHFQSMOGEBBN-OAQYLSRUSA-N	-2	1	456.497	4.782	1	0		JJAFML
O=[P@]([O-])(O)[C@@H](CCCc1cccc(Oc2ccccc2Oc2ccccc2)c1)S(=O)(=O)[O-]	ZINC000013746429	562988056	/nfs/dbraw/zinc/98/80/56/562988056.db2.gz	OWUNJYUFYHHJRN-JOCHJYFZSA-N	-2	1	478.459	4.986	1	0		JJAFML
CC(C)=CCc1ccccc1Oc1cccc(CCC[C@H]([P@](=O)([O-])O)S(=O)(=O)[O-])c1	ZINC000013746427	562988072	/nfs/dbraw/zinc/98/80/72/562988072.db2.gz	RELHVFPZHHKBMY-OAQYLSRUSA-N	-2	1	454.481	4.702	1	0		JJAFML
O=C([O-])Cn1c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2c2c1CC[C@H](c1ccccc1)C2	ZINC000028344947	563060750	/nfs/dbraw/zinc/06/07/50/563060750.db2.gz	JVCSHQZQQLERFB-SFHVURJKSA-N	-2	1	478.545	4.938	1	0		JJAFML
O=c1oc2c(c([O-])c1[C@H](c1cccc([N-]S(=O)(=O)c3cscn3)c1)C1CC1)CCCCCC2	ZINC000101177417	581101596	/nfs/dbraw/zinc/10/15/96/581101596.db2.gz	KJFZULZFKVDUOW-NRFANRHFSA-N	-2	1	486.615	4.804	1	0		JJAFML
COc1ccc2c([O-])c([C@@H](c3cccc([N-]S(=O)(=O)c4ccc(F)cc4)c3)C3CC3)c(=O)oc2c1	ZINC000013756550	562988699	/nfs/dbraw/zinc/98/86/99/562988699.db2.gz	JPNYRBVKJYFOBV-HSZRJFAPSA-N	-2	1	495.528	4.989	1	0		JJAFML
O=[P@]([O-])(O)[C@@H](Cc1ccc2ccccc2c1)N[C@@H](Cc1ccc(-c2ccccc2)cc1)c1nnn[n-]1	ZINC000026005736	563021487	/nfs/dbraw/zinc/02/14/87/563021487.db2.gz	PIBUIEXHVFJHNQ-UIOOFZCWSA-N	-2	1	499.511	4.640	1	0	in-vivo	JJAFML
O=C([O-])c1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(-c2cnn(Cc3ccccc3)c2)c1	ZINC000045245693	563181766	/nfs/dbraw/zinc/18/17/66/563181766.db2.gz	ZARDQLFECRIEMJ-UHFFFAOYSA-N	-2	1	467.934	4.751	1	0		JJAFML
O=c1oc2c(c([O-])c1[C@H](c1cccc([N-]S(=O)(=O)c3ccccn3)c1)C1CC1)CCCCCC2	ZINC000100013703	581101611	/nfs/dbraw/zinc/10/16/11/581101611.db2.gz	CJHRPARPKUPGLW-QHCPKHFHSA-N	-2	1	480.586	4.742	1	0		JJAFML
CC[C@@H](C)C(=O)c1c([O-])c(Cc2c(O)c(C)c(O)c(C(C)=O)c2O)c([O-])c2c1OC(C)(C)C=C2	ZINC000014585784	560222556	/nfs/dbraw/zinc/22/25/56/560222556.db2.gz	QDQSOVCXTNDOAI-LLVKDONJSA-N	-2	1	470.518	4.729	1	0	in-vitro	JJAFML
O=[P@]([O-])(O)[C@H](N[C@H](Cc1ccc(-c2ccccc2)cc1)c1nnn[n-]1)c1cccc2ccccc21	ZINC000026006771	563021632	/nfs/dbraw/zinc/02/16/32/563021632.db2.gz	FRQBPLBJSVAMMC-RSXGOPAZSA-N	-2	1	485.484	4.770	1	0		JJAFML
CC(C)(C)[C@@H]1CCc2c(c3cc([N-]S(=O)(=O)c4ccc(F)cc4)ccc3n2CC(=O)[O-])C1	ZINC000028334501	563059847	/nfs/dbraw/zinc/05/98/47/563059847.db2.gz	HWLCJLIFLSJKKB-OAHLLOKOSA-N	-2	1	458.555	4.817	1	0		JJAFML
O=C([O-])COc1c(Br)c(-c2cccc(NC3CCCCC3)c2)sc1-c1nnn[n-]1	ZINC000028887020	563085033	/nfs/dbraw/zinc/08/50/33/563085033.db2.gz	GGWJSVUFTBIKOO-UHFFFAOYSA-N	-2	1	478.372	4.566	1	0		JJAFML
O=C([O-])COc1c(Br)c(-c2cccc(NC3CCCCC3)c2)sc1-c1nn[n-]n1	ZINC000028887020	563085034	/nfs/dbraw/zinc/08/50/34/563085034.db2.gz	GGWJSVUFTBIKOO-UHFFFAOYSA-N	-2	1	478.372	4.566	1	0		JJAFML
CC(C)C[C@@H](c1c([O-])c(C=O)c(O)c(C=O)c1[O-])[C@H]1CC[C@@](C)(O)[C@@H]2C[C@H](C(C)(C)O)CC[C@@]12C	ZINC000100784295	571841643	/nfs/dbraw/zinc/84/16/43/571841643.db2.gz	PXQFFMATXFLUPK-IAOGUTHNSA-N	-2	1	490.637	4.913	1	0	endogenous,in-man	JJAFML
CC[C@H](C)C(=O)c1c([O-])c(Cc2c(O)c(C)c(O)c(C(C)=O)c2O)c([O-])c2c1OC(C)(C)C=C2	ZINC000014585786	291542724	/nfs/dbraw/zinc/54/27/24/291542724.db2.gz	QDQSOVCXTNDOAI-NSHDSACASA-N	-2	1	470.518	4.729	1	0	biogenic,in-vitro	JJAFML
O=[P@]([O-])(O)[C@@H](Cc1cccc2ccccc21)N[C@@H](Cc1ccc(-c2ccccc2)cc1)c1nnn[n-]1	ZINC000001545207	562921046	/nfs/dbraw/zinc/92/10/46/562921046.db2.gz	UGLAENRVRPVULB-UIOOFZCWSA-N	-2	1	499.511	4.640	1	0		JJAFML
O=[P@]([O-])(O)[C@H](Cc1ccc2ccccc2c1)N[C@H](Cc1ccc(-c2ccccc2)cc1)c1nnn[n-]1	ZINC000026007084	563021563	/nfs/dbraw/zinc/02/15/63/563021563.db2.gz	PIBUIEXHVFJHNQ-CLJLJLNGSA-N	-2	1	499.511	4.640	1	0		JJAFML
CC(C)(C)[C@H]1CCc2c(c3cc([N-]S(=O)(=O)c4ccc(F)cc4)ccc3n2CC(=O)[O-])C1	ZINC000028334509	563059850	/nfs/dbraw/zinc/05/98/50/563059850.db2.gz	HWLCJLIFLSJKKB-HNNXBMFYSA-N	-2	1	458.555	4.817	1	0		JJAFML
Nc1cccc(S(=O)(=O)[N-]c2cccc([C@@H](c3c([O-])c4c(oc3=O)CCCCCC4)C3CC3)c2)c1	ZINC000013761642	562990105	/nfs/dbraw/zinc/99/01/05/562990105.db2.gz	AOZZDVARVHBKHM-DEOSSOPVSA-N	-2	1	494.613	4.929	1	0		JJAFML
COc1c(Cc2c([O-])c3c(c(C(=O)C(C)C)c2[O-])OC(C)(C)C=C3)c(O)c(C)c(O)c1C(C)=O	ZINC000014558069	560222337	/nfs/dbraw/zinc/22/23/37/560222337.db2.gz	OQRSHOCWDKCKHR-UHFFFAOYSA-N	-2	1	470.518	4.642	1	0	biogenic,in-vitro	JJAFML
CCN(c1ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc1)[C@@H](COCC(=O)[O-])c1ccccc1	ZINC000038149647	563132089	/nfs/dbraw/zinc/13/20/89/563132089.db2.gz	JEJWNQZGLAXVKT-KRWDZBQOSA-N	-2	1	465.390	4.668	1	0		JJAFML
O=[P@]([O-])(O)[C@H](CCCc1cccc(Oc2ccccc2Cc2ccccc2)c1)S(=O)(=O)[O-]	ZINC000013746418	562988012	/nfs/dbraw/zinc/98/80/12/562988012.db2.gz	ZMOCESLEEQXYRI-QHCPKHFHSA-N	-2	1	476.487	4.784	1	0	in-vitro	JJAFML
O=[P@]([O-])(O)[C@H](N[C@@H](Cc1ccc(-c2ccccc2)cc1)c1nnn[n-]1)c1cccc2ccccc21	ZINC000026005796	563021454	/nfs/dbraw/zinc/02/14/54/563021454.db2.gz	FRQBPLBJSVAMMC-AHWVRZQESA-N	-2	1	485.484	4.770	1	0		JJAFML
O=C([O-])CCn1cc(Cc2ccc(F)cc2)c2cc([N-]S(=O)(=O)c3ccccc3)ccc21	ZINC000029405046	563102740	/nfs/dbraw/zinc/10/27/40/563102740.db2.gz	CRKZSWJQTBJEPC-UHFFFAOYSA-N	-2	1	452.507	4.647	1	0		JJAFML
C/C(=C\CO[P@@](=O)([O-])O[P@@](=O)([O-])O)CC/C=C(\C)CNc1c(F)c(F)c(F)c(F)c1F	ZINC000033917561	563111311	/nfs/dbraw/zinc/11/13/11/563111311.db2.gz	WUQOCSHMGLPMCY-TXFIJWAUSA-N	-2	1	495.274	4.693	1	0		JJAFML
C/C(=C\CO[P@@](=O)([O-])O[P@](=O)([O-])O)CC/C=C(\C)CNc1c(F)c(F)c(F)c(F)c1F	ZINC000033917561	563111312	/nfs/dbraw/zinc/11/13/12/563111312.db2.gz	WUQOCSHMGLPMCY-TXFIJWAUSA-N	-2	1	495.274	4.693	1	0		JJAFML
O=C([O-])c1cc(Cl)ccc1[N-]S(=O)(=O)c1cccc(-c2cnn(Cc3ccccc3)c2)c1	ZINC000045255330	563182623	/nfs/dbraw/zinc/18/26/23/563182623.db2.gz	CIBVEIXTWJXKQL-UHFFFAOYSA-N	-2	1	467.934	4.751	1	0		JJAFML
CCCC(=O)c1c([O-])c(Cc2c([O-])c(C(C)=O)c(O)c(C)c2OC)c(O)c(CC=C(C)C)c1O	ZINC000013380623	560215901	/nfs/dbraw/zinc/21/59/01/560215901.db2.gz	VHWVAUMYWMFFFU-UHFFFAOYSA-N	-2	1	472.534	4.817	1	0	biogenic,in-vitro	JJAFML
O=[P@]([O-])(O)[C@H](CCCc1cccc(Oc2ccccc2Oc2ccccc2)c1)S(=O)(=O)[O-]	ZINC000013746431	562988006	/nfs/dbraw/zinc/98/80/06/562988006.db2.gz	OWUNJYUFYHHJRN-QFIPXVFZSA-N	-2	1	478.459	4.986	1	0		JJAFML
O=C([O-])Cn1c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2c2c1CC[C@@H](c1ccccc1)C2	ZINC000028344943	563060736	/nfs/dbraw/zinc/06/07/36/563060736.db2.gz	JVCSHQZQQLERFB-GOSISDBHSA-N	-2	1	478.545	4.938	1	0		JJAFML
O=C([O-])CCn1cc(Cc2ccc(F)cc2)c2cc([N-]S(=O)(=O)c3ccc(F)cc3)ccc21	ZINC000029409574	563103091	/nfs/dbraw/zinc/10/30/91/563103091.db2.gz	MUXVVHHGPZKOAK-UHFFFAOYSA-N	-2	1	470.497	4.786	1	0		JJAFML
Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)c(Cc2ccc(F)cc2)cn3CCC(=O)[O-])cc1	ZINC000029412204	563103341	/nfs/dbraw/zinc/10/33/41/563103341.db2.gz	HOLZDDPAUNSDQY-UHFFFAOYSA-N	-2	1	466.534	4.955	1	0		JJAFML
O=[P@]([O-])(O)[C@@H](CCCc1cccc(Oc2cc(Cl)cc(Cl)c2)c1)S(=O)(=O)[O-]	ZINC000040951072	563159557	/nfs/dbraw/zinc/15/95/57/563159557.db2.gz	AHPNQARALAWXAF-MRXNPFEDSA-N	-2	1	455.252	4.500	1	0		JJAFML
O=C([O-])c1c(Cl)cccc1[N-]S(=O)(=O)c1cccc(-c2cnn(Cc3ccccc3)c2)c1	ZINC000045255866	563182614	/nfs/dbraw/zinc/18/26/14/563182614.db2.gz	XQTCQKKJWMOCPW-UHFFFAOYSA-N	-2	1	467.934	4.751	1	0		JJAFML
CC(C)CCc1ccccc1Oc1cccc(CCC[C@@H]([P@](=O)([O-])O)S(=O)(=O)[O-])c1	ZINC000013746420	562988101	/nfs/dbraw/zinc/98/81/01/562988101.db2.gz	HEKHFQSMOGEBBN-NRFANRHFSA-N	-2	1	456.497	4.782	1	0		JJAFML
O=[P@]([O-])(O)[C@H](Cc1cccc2ccccc21)N[C@@H](Cc1ccc(-c2ccccc2)cc1)c1nnn[n-]1	ZINC000011686310	562957446	/nfs/dbraw/zinc/95/74/46/562957446.db2.gz	UGLAENRVRPVULB-IZZNHLLZSA-N	-2	1	499.511	4.640	1	0		JJAFML
O=C([O-])CCCCCCCOc1ccc(NC(=O)c2c([O-])[n-]c3cc(F)c(F)cc3c2=O)cc1	ZINC000013440361	562962985	/nfs/dbraw/zinc/96/29/85/562962985.db2.gz	KREAHRJTWBALEH-UHFFFAOYSA-N	-3	1	474.460	4.981	1	0		JJAFML
Nc1cccc(S(=O)(=O)[N-]c2cccc([C@H](c3c([O-])c4c(oc3=O)CCCCCC4)C3CC3)c2)c1	ZINC000013761641	562990057	/nfs/dbraw/zinc/99/00/57/562990057.db2.gz	AOZZDVARVHBKHM-XMMPIXPASA-N	-2	1	494.613	4.929	1	0		JJAFML
CCN(c1ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc1)[C@H](COCC(=O)[O-])c1ccccc1	ZINC000038149648	563132082	/nfs/dbraw/zinc/13/20/82/563132082.db2.gz	JEJWNQZGLAXVKT-QGZVFWFLSA-N	-2	1	465.390	4.668	1	0		JJAFML
O=[P@]([O-])(O)[C@H](CCCc1cccc(Oc2ccc(Cc3ccccc3)cc2)c1)S(=O)(=O)[O-]	ZINC000040405726	563140039	/nfs/dbraw/zinc/14/00/39/563140039.db2.gz	IXUQPEQMTGBOKR-QHCPKHFHSA-N	-2	1	476.487	4.784	1	0		JJAFML
O=[P@]([O-])(O)[C@@H](CCCc1cccc(Oc2ccc(Oc3ccccc3)cc2)c1)S(=O)(=O)[O-]	ZINC000040423753	563142556	/nfs/dbraw/zinc/14/25/56/563142556.db2.gz	CCBYUTHOHYHCOS-JOCHJYFZSA-N	-2	1	478.459	4.986	1	0		JJAFML
CC(C)C[C@H](c1c([O-])c(C=O)c(O)c(C=O)c1[O-])[C@@H]1CC[C@](C)(O)[C@@H]2C[C@@H](C(C)(C)O)CC[C@@]21C	ZINC000140695327	571850828	/nfs/dbraw/zinc/85/08/28/571850828.db2.gz	PXQFFMATXFLUPK-CRNCEYJYSA-N	-2	1	490.637	4.913	1	0	endogenous,in-man	JJAFML
CC(C)C[C@H](c1c([O-])c(C=O)c(O)c(C=O)c1[O-])[C@@H]1CC[C@](C)(O)[C@@H]2C[C@H](C(C)(C)O)CC[C@@]21C	ZINC000257371391	571858857	/nfs/dbraw/zinc/85/88/57/571858857.db2.gz	PXQFFMATXFLUPK-MMQIDRSKSA-N	-2	1	490.637	4.913	1	0	endogenous,in-man	JJAFML
O=[P@]([O-])(O)[C@H](CCCc1cccc(Oc2ccc(Oc3ccccc3)cc2)c1)S(=O)(=O)[O-]	ZINC000040423752	563142514	/nfs/dbraw/zinc/14/25/14/563142514.db2.gz	CCBYUTHOHYHCOS-QFIPXVFZSA-N	-2	1	478.459	4.986	1	0		JJAFML
O=c1oc2c(c([O-])c1[C@@H](c1cccc([N-]S(=O)(=O)c3ccccn3)c1)C1CC1)CCCCCC2	ZINC000100013705	581101534	/nfs/dbraw/zinc/10/15/34/581101534.db2.gz	CJHRPARPKUPGLW-HSZRJFAPSA-N	-2	1	480.586	4.742	1	0		JJAFML
COc1ccc2c([O-])c([C@H](c3cccc([N-]S(=O)(=O)c4ccc(F)cc4)c3)C3CC3)c(=O)oc2c1	ZINC000003815645	562928860	/nfs/dbraw/zinc/92/88/60/562928860.db2.gz	JPNYRBVKJYFOBV-QHCPKHFHSA-N	-2	1	495.528	4.989	1	0		JJAFML
O=[P@]([O-])(O)[C@H](Cc1ccc2ccccc2c1)N[C@@H](Cc1ccc(-c2ccccc2)cc1)c1nnn[n-]1	ZINC000026005742	563021520	/nfs/dbraw/zinc/02/15/20/563021520.db2.gz	PIBUIEXHVFJHNQ-IZZNHLLZSA-N	-2	1	499.511	4.640	1	0	in-vivo	JJAFML
O=C([O-])CCn1c2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2c2c1CCCC2	ZINC000028127386	563057002	/nfs/dbraw/zinc/05/70/02/563057002.db2.gz	DTBFUHFQRPXJJN-UHFFFAOYSA-N	-2	1	450.919	4.588	1	0		JJAFML
O=[P@]([O-])(O)[C@@H](CCCc1cccc(Oc2ccccc2Cc2ccccc2)c1)S(=O)(=O)[O-]	ZINC000013746416	562988032	/nfs/dbraw/zinc/98/80/32/562988032.db2.gz	ZMOCESLEEQXYRI-HSZRJFAPSA-N	-2	1	476.487	4.784	1	0	in-vitro	JJAFML
CC(C)=CCc1ccccc1Oc1cccc(CCC[C@@H]([P@](=O)([O-])O)S(=O)(=O)[O-])c1	ZINC000013746425	562988078	/nfs/dbraw/zinc/98/80/78/562988078.db2.gz	RELHVFPZHHKBMY-NRFANRHFSA-N	-2	1	454.481	4.702	1	0		JJAFML
O=[P@]([O-])(O)[C@H](CCCc1cccc(Oc2cc(Cl)cc(Cl)c2)c1)S(=O)(=O)[O-]	ZINC000040951069	563159548	/nfs/dbraw/zinc/15/95/48/563159548.db2.gz	AHPNQARALAWXAF-INIZCTEOSA-N	-2	1	455.252	4.500	1	0		JJAFML
O=c1oc2c(c([O-])c1[C@@H](c1cccc([N-]S(=O)(=O)c3cscn3)c1)C1CC1)CCCCCC2	ZINC000101177420	581101458	/nfs/dbraw/zinc/10/14/58/581101458.db2.gz	KJFZULZFKVDUOW-OAQYLSRUSA-N	-2	1	486.615	4.804	1	0		JJAFML
O=C([O-])c1ccc2c(c1)C(=O)N(c1ccc(Cl)c(NC(=O)c3ccc4ccccc4c3[O-])c1)C2=O	ZINC000022023158	563016717	/nfs/dbraw/zinc/01/67/17/563016717.db2.gz	MZJXXIMMXMRKOY-UHFFFAOYSA-N	-2	1	486.867	4.950	1	0		JJAFML
O=[P@]([O-])(O)[C@@H](N[C@H](Cc1ccc(-c2ccccc2)cc1)c1nnn[n-]1)c1cccc2ccccc21	ZINC000026006765	563021581	/nfs/dbraw/zinc/02/15/81/563021581.db2.gz	FRQBPLBJSVAMMC-AOYPEHQESA-N	-2	1	485.484	4.770	1	0		JJAFML
O=[P@]([O-])(O)[C@@H](CCCc1cccc(Oc2ccc(Cc3ccccc3)cc2)c1)S(=O)(=O)[O-]	ZINC000040405729	563140088	/nfs/dbraw/zinc/14/00/88/563140088.db2.gz	IXUQPEQMTGBOKR-HSZRJFAPSA-N	-2	1	476.487	4.784	1	0		JJAFML
O=[P@]([O-])(O)[C@@H](CCCc1cccc(Oc2ccc(Cl)c(Cl)c2)c1)S(=O)(=O)[O-]	ZINC000040422961	563142102	/nfs/dbraw/zinc/14/21/02/563142102.db2.gz	RSJKGCWWIOKROE-MRXNPFEDSA-N	-2	1	455.252	4.500	1	0		JJAFML
CC(C)C[C@H](c1c([O-])c(C=O)c(O)c(C=O)c1[O-])[C@H]1CC[C@@](C)(O)[C@@H]2C[C@H](C(C)(C)O)CC[C@@]12C	ZINC000100784294	571841585	/nfs/dbraw/zinc/84/15/85/571841585.db2.gz	PXQFFMATXFLUPK-ALJRBHPNSA-N	-2	1	490.637	4.913	1	0	endogenous,in-man	JJAFML
O=C([O-])c1ccc(COc2ccc(-c3cnc4c(-c5nnn[n-]5)cnn4c3C3CCCCC3)cc2)cc1	ZINC000003927996	562930074	/nfs/dbraw/zinc/93/00/74/562930074.db2.gz	KNIPEGYGJZUGKY-UHFFFAOYSA-N	-2	1	495.543	4.901	1	0		JJAFML
O=C([O-])c1ccc(COc2ccc(-c3cnc4c(-c5nn[n-]n5)cnn4c3C3CCCCC3)cc2)cc1	ZINC000003927996	562930075	/nfs/dbraw/zinc/93/00/75/562930075.db2.gz	KNIPEGYGJZUGKY-UHFFFAOYSA-N	-2	1	495.543	4.901	1	0		JJAFML
C/C(=C\Cc1c([O-])c(C=O)c(C)c(Cl)c1OCC(=O)[O-])CC/C=C(\C)[C@@H]1CC(=O)C(C)(C)O1	ZINC000013835904	563001501	/nfs/dbraw/zinc/00/15/01/563001501.db2.gz	FKSFYVXNVAIHFV-LHDPSMIPSA-N	-2	1	478.969	4.982	1	0		JJAFML
O=[P@]([O-])(O)[C@@H](N[C@@H](Cc1ccc(-c2ccccc2)cc1)c1nnn[n-]1)c1cccc2ccccc21	ZINC000026005790	563021526	/nfs/dbraw/zinc/02/15/26/563021526.db2.gz	FRQBPLBJSVAMMC-AZGAKELHSA-N	-2	1	485.484	4.770	1	0		JJAFML