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]1CC[C@H](O)c2c(=O)c3c(oc21)c([O-])c1c2c3OCO[C@@H]2Cc2cc3cc(C)n(N)c([O-])c-3c(=O)c2-1	ZINC000002007947	560185450	/nfs/dbraw/zinc/18/54/50/560185450.db2.gz	LYKFTVCDYGGLGW-MELADBBJSA-N	-2	3	520.494	2.687	1	0	in-vitro	KFAFHL
O=C([O-])c1nc(-c2cscc2NC(=O)[N-]S(=O)(=O)c2cccc(Cl)c2Cl)[nH]c(=O)c1[O-]	ZINC000003582076	561681950	/nfs/dbraw/zinc/68/19/50/561681950.db2.gz	HCRYVIBTYLFLEV-UHFFFAOYSA-N	-3	3	505.317	2.719	1	0		KFAFHL
Cn1c2cc(C(=O)N[C@@H](CP(=O)([O-])[O-])C(=O)[O-])ccc2nc1C(F)(F)c1nc2cc(Cl)ccc2[nH]1	ZINC000003587639	561681842	/nfs/dbraw/zinc/68/18/42/561681842.db2.gz	MEFRLZQRBAUTEB-AWEZNQCLSA-N	-3	3	527.808	2.604	1	0		KFAFHL
Cn1c2cc(C(=O)N[C@H](CP(=O)([O-])[O-])C(=O)[O-])ccc2nc1C(F)(F)c1nc2cc(Cl)ccc2[nH]1	ZINC000003587648	561681978	/nfs/dbraw/zinc/68/19/78/561681978.db2.gz	MEFRLZQRBAUTEB-CQSZACIVSA-N	-3	3	527.808	2.604	1	0		KFAFHL
CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)N[C@H](CCN1C(=O)c2cccc3cccc(c32)C1=O)P(=O)([O-])[O-]	ZINC000003930584	561687370	/nfs/dbraw/zinc/68/73/70/561687370.db2.gz	KUVXVNIOOYCQJJ-GSDHBNRESA-N	-2	3	608.632	2.808	1	0		KFAFHL
CCCCN(C(=O)CC(=O)[O-])c1ccc(N2CCC([NH2+]C[C@H](O)c3ccc([O-])c([N-]S(C)(=O)=O)c3)CC2)cc1	ZINC000003934239	561688214	/nfs/dbraw/zinc/68/82/14/561688214.db2.gz	LQEINRGWYJSJRV-VWLOTQADSA-N	-2	3	562.689	2.664	1	0		KFAFHL
CCOC(=O)c1c([O-])c(C(c2ccco2)c2c(=O)[nH]c(N3CCCC3)c(C(=O)OCC)c2[O-])c(=O)[nH]c1N1CCCC1	ZINC000005544082	561696495	/nfs/dbraw/zinc/69/64/95/561696495.db2.gz	HRHXYRQXAVXSOM-UHFFFAOYSA-N	-2	3	582.610	2.801	1	0		KFAFHL
CCOC(=O)c1c([O-])c(C(c2c([O-])c(C(=O)OCC)c(N3CCCC3)[nH]c2=O)C(C)C)c(=O)[nH]c1N1CCCC1	ZINC000005544251	561696460	/nfs/dbraw/zinc/69/64/60/561696460.db2.gz	ADWLYBAMUNKNKO-UHFFFAOYSA-N	-2	3	558.632	2.816	1	0		KFAFHL
COc1ccc([N-]S(=O)(=O)c2ccc3ncn([N-]S(=O)(=O)c4ccc(I)cc4)c(=O)c3c2)cc1	ZINC000005579134	561696646	/nfs/dbraw/zinc/69/66/46/561696646.db2.gz	LFAAFQMOZGKCDG-UHFFFAOYSA-N	-2	3	612.427	2.743	1	0		KFAFHL
CCOC(=O)[C@@]([N-]c1ccc(S(=O)(=O)[N-]c2ccc(OC)nn2)cc1)(NC(=O)c1ccccc1)C(F)(F)F	ZINC000005729402	561697789	/nfs/dbraw/zinc/69/77/89/561697789.db2.gz	JOUSFQISCOTOSZ-JOCHJYFZSA-N	-2	3	553.519	2.950	1	0		KFAFHL
C[C@H](CCC(=O)NCCP(=O)([O-])[O-])[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C	ZINC000008220023	560207406	/nfs/dbraw/zinc/20/74/06/560207406.db2.gz	BGUPNWPPECTFDP-FREJXKSPSA-N	-2	3	515.628	2.658	1	0	in-vitro	KFAFHL
O=P([O-])([O-])C(O)(CCCNc1nc2c(ncn2C2CCCC2)c(Nc2ccccc2)n1)P(=O)([O-])[O-]	ZINC000013538704	561718050	/nfs/dbraw/zinc/71/80/50/561718050.db2.gz	QODSLTYMDNUZDN-UHFFFAOYSA-N	-4	3	526.427	2.879	1	0		KFAFHL
O=C(N[C@@H](CC1CCCCC1)C(=O)NCCN1CCOCC1)[C@H](CCCc1ccccc1)CP(=O)([O-])[O-]	ZINC000013558491	561719291	/nfs/dbraw/zinc/71/92/91/561719291.db2.gz	PENUYKDCGZXPRG-RPBOFIJWSA-N	-2	3	537.638	2.707	1	0		KFAFHL
CCCc1nc(C)n2nc(S(=O)(=O)[N-]C)nc2c1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1	ZINC000013737988	561725657	/nfs/dbraw/zinc/72/56/57/561725657.db2.gz	MNHSWGJSIZELRQ-UHFFFAOYSA-N	-2	3	503.592	2.731	1	0		KFAFHL
CCCc1nc(C)n2nc(S(=O)(=O)[N-]C)nc2c1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1	ZINC000013737988	561725655	/nfs/dbraw/zinc/72/56/55/561725655.db2.gz	MNHSWGJSIZELRQ-UHFFFAOYSA-N	-2	3	503.592	2.731	1	0		KFAFHL
O=C([O-])c1cccc([O-])c1C(=O)c1c([O-])cc(C(=O)O[C@@H]2CCC[C@@H]2NC(=O)c2ccc([O-])cc2)cc1[O-]	ZINC000013760672	561727607	/nfs/dbraw/zinc/72/76/07/561727607.db2.gz	IRGJDPZJEUYSKS-LAUBAEHRSA-N	-5	3	521.478	2.946	1	0		KFAFHL
O=C([O-])c1cccc([O-])c1C(=O)c1c([O-])cc(C(=O)O[C@@H]2CCC[C@@H]2NC(=O)c2ccc(O)cc2)cc1[O-]	ZINC000013760672	561727605	/nfs/dbraw/zinc/72/76/05/561727605.db2.gz	IRGJDPZJEUYSKS-LAUBAEHRSA-N	-4	3	521.478	2.946	1	0		KFAFHL
O=C([O-])c1cccc([O-])c1C(=O)c1c([O-])cc(C(=O)O[C@H]2CCC[C@@H]2NC(=O)c2ccc([O-])cc2)cc1[O-]	ZINC000013760673	561727602	/nfs/dbraw/zinc/72/76/02/561727602.db2.gz	IRGJDPZJEUYSKS-UWJYYQICSA-N	-5	3	521.478	2.946	1	0		KFAFHL
O=C([O-])c1cccc([O-])c1C(=O)c1c([O-])cc(C(=O)O[C@H]2CCC[C@@H]2NC(=O)c2ccc(O)cc2)cc1[O-]	ZINC000013760673	561727600	/nfs/dbraw/zinc/72/76/00/561727600.db2.gz	IRGJDPZJEUYSKS-UWJYYQICSA-N	-4	3	521.478	2.946	1	0		KFAFHL
O=C([O-])c1cccc([O-])c1C(=O)c1c([O-])cc(C(=O)O[C@@H]2CCC[C@H]2NC(=O)c2ccc([O-])cc2)cc1[O-]	ZINC000013760674	561727641	/nfs/dbraw/zinc/72/76/41/561727641.db2.gz	IRGJDPZJEUYSKS-DYESRHJHSA-N	-5	3	521.478	2.946	1	0		KFAFHL
O=C([O-])c1cccc([O-])c1C(=O)c1c([O-])cc(C(=O)O[C@@H]2CCC[C@H]2NC(=O)c2ccc(O)cc2)cc1[O-]	ZINC000013760674	561727640	/nfs/dbraw/zinc/72/76/40/561727640.db2.gz	IRGJDPZJEUYSKS-DYESRHJHSA-N	-4	3	521.478	2.946	1	0		KFAFHL
O=C([O-])c1cccc([O-])c1C(=O)c1c([O-])cc(C(=O)O[C@H]2CCC[C@H]2NC(=O)c2ccc([O-])cc2)cc1[O-]	ZINC000013760675	561727621	/nfs/dbraw/zinc/72/76/21/561727621.db2.gz	IRGJDPZJEUYSKS-UTKZUKDTSA-N	-5	3	521.478	2.946	1	0		KFAFHL
O=C([O-])c1cccc([O-])c1C(=O)c1c([O-])cc(C(=O)O[C@H]2CCC[C@H]2NC(=O)c2ccc(O)cc2)cc1[O-]	ZINC000013760675	561727619	/nfs/dbraw/zinc/72/76/19/561727619.db2.gz	IRGJDPZJEUYSKS-UTKZUKDTSA-N	-4	3	521.478	2.946	1	0		KFAFHL
COC(=O)c1cccc([O-])c1C(=O)c1c([O-])cc(C(=O)O[C@@H]2C[NH2+]C[C@H]2Cc2ccc(O)cc2)cc1[O-]	ZINC000013760686	561727703	/nfs/dbraw/zinc/72/77/03/561727703.db2.gz	PEZLAFKDOMGSEL-OPAMFIHVSA-N	-2	3	507.495	2.514	1	0		KFAFHL
CC(C)(C)Cn1c(Cc2nc3ccccc3[nH]2)nc2ccc(C(=O)N[C@@H](CP(=O)([O-])[O-])C(=O)[O-])cc21	ZINC000013860276	561734462	/nfs/dbraw/zinc/73/44/62/561734462.db2.gz	NTTQHPYEMYJKMD-SFHVURJKSA-N	-3	3	513.491	2.910	1	0		KFAFHL
CC(C)(C)Cn1c(Cc2nc3ccccc3[nH]2)nc2ccc(C(=O)N[C@H](CP(=O)([O-])[O-])C(=O)[O-])cc21	ZINC000013860277	561734412	/nfs/dbraw/zinc/73/44/12/561734412.db2.gz	NTTQHPYEMYJKMD-GOSISDBHSA-N	-3	3	513.491	2.910	1	0		KFAFHL
CC(C)CCn1c(Cc2nc3ccccc3[nH]2)nc2ccc(C(=O)N[C@@H](CP(=O)([O-])[O-])C(=O)[O-])cc21	ZINC000013860278	561734512	/nfs/dbraw/zinc/73/45/12/561734512.db2.gz	RDNPNVCQGXONSL-IBGZPJMESA-N	-3	3	513.491	2.910	1	0		KFAFHL
CC(C)CCn1c(Cc2nc3ccccc3[nH]2)nc2ccc(C(=O)N[C@H](CP(=O)([O-])[O-])C(=O)[O-])cc21	ZINC000013860279	561734509	/nfs/dbraw/zinc/73/45/09/561734509.db2.gz	RDNPNVCQGXONSL-LJQANCHMSA-N	-3	3	513.491	2.910	1	0		KFAFHL
CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)N[C@@H](CCN1C(=O)c2cccc3cccc(c32)C1=O)P(=O)([O-])[O-]	ZINC000014276166	561738864	/nfs/dbraw/zinc/73/88/64/561738864.db2.gz	KUVXVNIOOYCQJJ-KKUQBAQOSA-N	-2	3	608.632	2.808	1	0		KFAFHL
O=C([O-])C[C@H](NC(=O)c1ccc(C[N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)o1)C(=O)CSCc1ccccc1Cl	ZINC000014942815	561740344	/nfs/dbraw/zinc/74/03/44/561740344.db2.gz	KCYRHEUMORWGHJ-IBGZPJMESA-N	-3	3	611.050	2.891	1	0		KFAFHL
COc1cccc(OC)c1C(=O)c1c([O-])cc(C(=O)O[C@@H]2CCC[NH2+]C[C@H]2NC(=O)c2ccc([O-])cc2)cc1[O-]	ZINC000014944116	561742161	/nfs/dbraw/zinc/74/21/61/561742161.db2.gz	JZNYVCGRZGCBKY-DENIHFKCSA-N	-2	3	550.564	2.759	1	0		KFAFHL
O=C([O-])c1cccc(O)c1Cc1c([O-])cc(C(=O)O[C@@H]2CCC[NH2+]C[C@H]2NC(=O)c2ccc(O)cc2)cc1[O-]	ZINC000014944128	561742185	/nfs/dbraw/zinc/74/21/85/561742185.db2.gz	JKBLKEZCQDCPCX-PXDATVDWSA-N	-2	3	536.537	2.505	1	0		KFAFHL
O=C([O-])c1ccc2ccccc2c1C(=O)c1c([O-])cc(C(=O)O[C@@H]2C[NH2+]C[C@H]2NC(=O)c2ccc(O)cc2)cc1[O-]	ZINC000014944134	561742094	/nfs/dbraw/zinc/74/20/94/561742094.db2.gz	CTBULQFIIOEIHV-ZJSXRUAMSA-N	-2	3	556.527	2.813	1	0		KFAFHL
O=C([O-])COc1cccc([O-])c1C(=O)c1c([O-])cc(C(=O)O[C@@H]2CCC[C@H]2NC(=O)c2ccc([O-])cc2)cc1[O-]	ZINC000014944150	561742090	/nfs/dbraw/zinc/74/20/90/561742090.db2.gz	FSPDDRAYNYPNIF-DYESRHJHSA-N	-5	3	551.504	2.711	1	0		KFAFHL
O=C([O-])COc1cccc([O-])c1C(=O)c1c([O-])cc(C(=O)O[C@@H]2CCC[C@H]2NC(=O)c2ccc(O)cc2)cc1[O-]	ZINC000014944150	561742089	/nfs/dbraw/zinc/74/20/89/561742089.db2.gz	FSPDDRAYNYPNIF-DYESRHJHSA-N	-4	3	551.504	2.711	1	0		KFAFHL
COc1ccc(-c2oc3c(CCC(C)C)c([O-])cc([O-])c3c(=O)c2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)cc1	ZINC000014958362	291765682	/nfs/dbraw/zinc/76/56/82/291765682.db2.gz	PFVZUXQCELCLBL-LVKFHIPRSA-N	-2	3	516.543	2.675	1	0	biogenic,in-vitro	KFAFHL
CCNC(=O)c1[nH]nc(-c2cc(Cl)c([O-])cc2[O-])c1-c1ccc(CN2CCS(=O)(=O)CC2)cc1	ZINC000014974813	561752145	/nfs/dbraw/zinc/75/21/45/561752145.db2.gz	TYBUCKMEAMKGDB-UHFFFAOYSA-N	-2	3	504.996	2.788	1	0		KFAFHL
O=[P@]([O-])(CN1CCN(C[P@@](=O)([O-])c2ccccc2)CCN(C[P@@](=O)([O-])c2ccccc2)CC1)c1ccccc1	ZINC000019372345	561758589	/nfs/dbraw/zinc/75/85/89/561758589.db2.gz	FLBGYWDTUFNIQU-UHFFFAOYSA-N	-3	3	591.522	2.566	1	0		KFAFHL
CC(C)C[C@H](NC(=O)c1ccc(N2CCC(C[NH2+]C[C@H](O)c3ccc([O-])c([N-]S(C)(=O)=O)c3)CC2)cc1)C(=O)[O-]	ZINC000025419160	561762813	/nfs/dbraw/zinc/76/28/13/561762813.db2.gz	GNYDCKQBXGHOOR-AHWVRZQESA-N	-2	3	576.716	2.532	1	0		KFAFHL
C[C@@]1(OC(=O)c2cc([O-])c(C(=O)c3c([O-])cccc3C(=O)[O-])c([O-])c2)CCC[NH2+]C[C@H]1NC(=O)c1ccc(O)cc1	ZINC000026154756	561768085	/nfs/dbraw/zinc/76/80/85/561768085.db2.gz	USEYXZSHZLLAJS-KPURRNSFSA-N	-3	3	564.547	2.536	1	0		KFAFHL
CCCOc1ccc(S(=O)(=O)N2CCN(CC[P@](=O)([O-])OCC)CC2)cc1-c1nc2c(CCC)nn(C)c2c(=O)[n-]1	ZINC000026177916	561771158	/nfs/dbraw/zinc/77/11/58/561771158.db2.gz	GFRPMVCPCQENNX-UHFFFAOYSA-N	-2	3	610.674	2.593	1	0		KFAFHL
CCCOc1ccc(S(=O)(=O)N2CCC(CP(=O)([O-])[O-])CC2)cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1	ZINC000026186921	561772776	/nfs/dbraw/zinc/77/27/76/561772776.db2.gz	LIZYBSSXAONWEJ-UHFFFAOYSA-N	-2	3	567.605	2.643	1	0		KFAFHL
O=C([O-])c1cccc([O-])c1C(=O)c1c([O-])cc(C(=O)O[C@@H]2CCCOC[C@@H]2NC(=O)c2ccc([O-])cc2)cc1[O-]	ZINC000026265783	561776230	/nfs/dbraw/zinc/77/62/30/561776230.db2.gz	FYHDYXSOJZTOJN-PGRDOPGGSA-N	-5	3	551.504	2.573	1	0		KFAFHL
O=C([O-])c1cccc([O-])c1C(=O)c1c([O-])cc(C(=O)O[C@@H]2CCCOC[C@@H]2NC(=O)c2ccc(O)cc2)cc1[O-]	ZINC000026265783	561776229	/nfs/dbraw/zinc/77/62/29/561776229.db2.gz	FYHDYXSOJZTOJN-PGRDOPGGSA-N	-4	3	551.504	2.573	1	0		KFAFHL
O=C([O-])c1cccc([O-])c1C(=O)c1c([O-])cc(C(=O)O[C@@H]2CCCOC[C@H]2NC(=O)c2ccc([O-])cc2)cc1[O-]	ZINC000026402763	561788820	/nfs/dbraw/zinc/78/88/20/561788820.db2.gz	FYHDYXSOJZTOJN-XMSQKQJNSA-N	-5	3	551.504	2.573	1	0		KFAFHL
O=C([O-])c1cccc([O-])c1C(=O)c1c([O-])cc(C(=O)O[C@@H]2CCCOC[C@H]2NC(=O)c2ccc(O)cc2)cc1[O-]	ZINC000026402763	561788818	/nfs/dbraw/zinc/78/88/18/561788818.db2.gz	FYHDYXSOJZTOJN-XMSQKQJNSA-N	-4	3	551.504	2.573	1	0		KFAFHL
CC(=O)[C@@H]1C[C@@H](NC(=O)c2ccc([O-])cc2)[C@H](OC(=O)c2cc([O-])c(C(=O)c3c([O-])cccc3C(=O)[O-])c([O-])c2)C1	ZINC000026403585	561789084	/nfs/dbraw/zinc/78/90/84/561789084.db2.gz	CEMBEUHBOHDWPN-NFHUAXAMSA-N	-5	3	563.515	2.761	1	0		KFAFHL
CC(=O)[C@@H]1C[C@@H](NC(=O)c2ccc(O)cc2)[C@H](OC(=O)c2cc([O-])c(C(=O)c3c([O-])cccc3C(=O)[O-])c([O-])c2)C1	ZINC000026403585	561789082	/nfs/dbraw/zinc/78/90/82/561789082.db2.gz	CEMBEUHBOHDWPN-NFHUAXAMSA-N	-4	3	563.515	2.761	1	0		KFAFHL
CC(=O)[C@H]1C[C@@H](NC(=O)c2ccc([O-])cc2)[C@H](OC(=O)c2cc([O-])c(C(=O)c3c([O-])cccc3C(=O)[O-])c([O-])c2)C1	ZINC000026403590	561789051	/nfs/dbraw/zinc/78/90/51/561789051.db2.gz	CEMBEUHBOHDWPN-FCORRRHLSA-N	-5	3	563.515	2.761	1	0		KFAFHL
CC(=O)[C@H]1C[C@@H](NC(=O)c2ccc(O)cc2)[C@H](OC(=O)c2cc([O-])c(C(=O)c3c([O-])cccc3C(=O)[O-])c([O-])c2)C1	ZINC000026403590	561789048	/nfs/dbraw/zinc/78/90/48/561789048.db2.gz	CEMBEUHBOHDWPN-FCORRRHLSA-N	-4	3	563.515	2.761	1	0		KFAFHL
CCCCCCOc1ccc(C/C=C/[C@H](SC[C@H](N)C(=O)NCC(=O)[O-])[C@H](O)CCCC(=O)[O-])cc1	ZINC000026495792	561794332	/nfs/dbraw/zinc/79/43/32/561794332.db2.gz	RPUACXVQBKYYEE-OLVWDMBASA-N	-2	3	524.680	2.990	1	0		KFAFHL
CCCCCCOc1ccccc1C/C=C/[C@H](SC[C@H](N)C(=O)NCC(=O)[O-])[C@H](O)CCCC(=O)[O-]	ZINC000026496306	561794341	/nfs/dbraw/zinc/79/43/41/561794341.db2.gz	AZHHNYHELCQFJU-NNTFZZRKSA-N	-2	3	524.680	2.990	1	0		KFAFHL
CCCCCCOc1cccc(C/C=C/[C@H](SC[C@H](N)C(=O)NCC(=O)[O-])[C@H](O)CCCC(=O)[O-])c1	ZINC000026499847	561795147	/nfs/dbraw/zinc/79/51/47/561795147.db2.gz	RYSYWWLALYEJEN-HTACPVTASA-N	-2	3	524.680	2.990	1	0		KFAFHL
NC(=O)C[C@@H]1NC(=O)C2(CCCCC2)NC(=O)C[C@@H](c2ccc(CP(=O)([O-])[O-])cc2)/C=C/C[C@@H](CC2=c3ccccc3=CCC2)CNC1=O	ZINC000026569854	561797920	/nfs/dbraw/zinc/79/79/20/561797920.db2.gz	BTUVYXNBILEQJL-GZNVFMSSSA-N	-2	3	690.778	2.525	1	0		KFAFHL
O=C([O-])c1ccc2ccccc2c1C(=O)c1c([O-])cc(C(=O)O[C@@H]2C[NH2+]C[C@@H]2NC(=O)c2ccc(O)cc2)cc1[O-]	ZINC000026577338	561801310	/nfs/dbraw/zinc/80/13/10/561801310.db2.gz	CTBULQFIIOEIHV-XUZZJYLKSA-N	-2	3	556.527	2.813	1	0		KFAFHL
O=C([O-])c1ccc2ccccc2c1C(=O)c1c([O-])cc(C(=O)O[C@H]2C[NH2+]C[C@@H]2NC(=O)c2ccc(O)cc2)cc1[O-]	ZINC000026577339	561801384	/nfs/dbraw/zinc/80/13/84/561801384.db2.gz	CTBULQFIIOEIHV-URXFXBBRSA-N	-2	3	556.527	2.813	1	0		KFAFHL
O=C([O-])c1ccc2ccccc2c1C(=O)c1c([O-])cc(C(=O)O[C@H]2C[NH2+]C[C@H]2NC(=O)c2ccc(O)cc2)cc1[O-]	ZINC000026577340	561801325	/nfs/dbraw/zinc/80/13/25/561801325.db2.gz	CTBULQFIIOEIHV-QPPBQGQZSA-N	-2	3	556.527	2.813	1	0		KFAFHL
O=C([O-])c1cccc(O)c1Cc1c([O-])cc(C(=O)O[C@@H]2CCC[NH2+]C[C@@H]2NC(=O)c2ccc(O)cc2)cc1[O-]	ZINC000026577881	561802465	/nfs/dbraw/zinc/80/24/65/561802465.db2.gz	JKBLKEZCQDCPCX-SQJMNOBHSA-N	-2	3	536.537	2.505	1	0		KFAFHL
O=C([O-])COc1cccc([O-])c1C(=O)c1c([O-])cc(C(=O)O[C@@H]2CCC[C@@H]2NC(=O)c2ccc([O-])cc2)cc1[O-]	ZINC000026579430	561804642	/nfs/dbraw/zinc/80/46/42/561804642.db2.gz	FSPDDRAYNYPNIF-LAUBAEHRSA-N	-5	3	551.504	2.711	1	0		KFAFHL
O=C([O-])COc1cccc([O-])c1C(=O)c1c([O-])cc(C(=O)O[C@@H]2CCC[C@@H]2NC(=O)c2ccc(O)cc2)cc1[O-]	ZINC000026579430	561804640	/nfs/dbraw/zinc/80/46/40/561804640.db2.gz	FSPDDRAYNYPNIF-LAUBAEHRSA-N	-4	3	551.504	2.711	1	0		KFAFHL
O=C([O-])COc1cccc([O-])c1C(=O)c1c([O-])cc(C(=O)O[C@H]2CCC[C@@H]2NC(=O)c2ccc([O-])cc2)cc1[O-]	ZINC000026579431	561804689	/nfs/dbraw/zinc/80/46/89/561804689.db2.gz	FSPDDRAYNYPNIF-UWJYYQICSA-N	-5	3	551.504	2.711	1	0		KFAFHL
O=C([O-])COc1cccc([O-])c1C(=O)c1c([O-])cc(C(=O)O[C@H]2CCC[C@@H]2NC(=O)c2ccc(O)cc2)cc1[O-]	ZINC000026579431	561804687	/nfs/dbraw/zinc/80/46/87/561804687.db2.gz	FSPDDRAYNYPNIF-UWJYYQICSA-N	-4	3	551.504	2.711	1	0		KFAFHL
O=C([O-])COc1cccc([O-])c1C(=O)c1c([O-])cc(C(=O)O[C@H]2CCC[C@H]2NC(=O)c2ccc([O-])cc2)cc1[O-]	ZINC000026579432	561804680	/nfs/dbraw/zinc/80/46/80/561804680.db2.gz	FSPDDRAYNYPNIF-UTKZUKDTSA-N	-5	3	551.504	2.711	1	0		KFAFHL
O=C([O-])COc1cccc([O-])c1C(=O)c1c([O-])cc(C(=O)O[C@H]2CCC[C@H]2NC(=O)c2ccc(O)cc2)cc1[O-]	ZINC000026579432	561804677	/nfs/dbraw/zinc/80/46/77/561804677.db2.gz	FSPDDRAYNYPNIF-UTKZUKDTSA-N	-4	3	551.504	2.711	1	0		KFAFHL
NC(=O)C[C@@H]1NC(=O)C2(CCCCC2)NC(=O)C[C@@H](c2ccc(CP(=O)([O-])[O-])cc2)NC(=O)C[C@@H](Cc2cccc3ccccc32)CNC1=O	ZINC000026638459	561806192	/nfs/dbraw/zinc/80/61/92/561806192.db2.gz	VVFFVOVDUTZPET-FRDKBHKLSA-N	-2	3	705.749	2.623	1	0		KFAFHL
COc1cccc(OC)c1C(=O)c1c([O-])cc(C(=O)O[C@@H]2CCC[NH2+]C[C@@H]2NC(=O)c2ccc([O-])cc2)cc1[O-]	ZINC000026640783	561806652	/nfs/dbraw/zinc/80/66/52/561806652.db2.gz	JZNYVCGRZGCBKY-SIKLNZKXSA-N	-2	3	550.564	2.759	1	0		KFAFHL
COc1ccccc1C[C@H](NCP(=O)([O-])[O-])C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)[O-]	ZINC000026654850	561809171	/nfs/dbraw/zinc/80/91/71/561809171.db2.gz	PIDWCDCEILBSGS-GOTSBHOMSA-N	-3	3	512.499	2.810	1	0		KFAFHL
O=C([O-])[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@H](Cc1ccc2c(c1)OCO2)NCP(=O)([O-])[O-]	ZINC000026656708	561809569	/nfs/dbraw/zinc/80/95/69/561809569.db2.gz	RZJKWVPUWYLTJN-VXKWHMMOSA-N	-3	3	526.482	2.530	1	0		KFAFHL
CC(C)[C@H](NCP(=O)([O-])[O-])C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC000026657451	561809708	/nfs/dbraw/zinc/80/97/08/561809708.db2.gz	MEAOSULJCSUBOP-QKDODKLFSA-N	-3	3	597.605	2.648	1	0		KFAFHL
CS(=O)(=O)[N-]c1cc([C@@H](O)C[NH2+]CC2CCN(c3ccc(C(=O)N[C@@H](Cc4ccccc4)C(=O)[O-])cc3)CC2)ccc1[O-]	ZINC000026738723	561817739	/nfs/dbraw/zinc/81/77/39/561817739.db2.gz	BNCCDXYOEGWOOI-YTMVLYRLSA-N	-2	3	610.733	2.729	1	0		KFAFHL
CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(c1ncccc1[O-])c1ncccc1[O-])C(C)C)C(=O)[O-]	ZINC000026828821	561822511	/nfs/dbraw/zinc/82/25/11/561822511.db2.gz	SEGGQCYIUSJDOQ-HFMPRLQTSA-N	-3	3	595.722	2.641	1	0		KFAFHL
CCc1cc(C[C@@H](NC(C)=O)C(=O)NCCCCOc2cccc([O-])c2C(=O)NC)ccc1N(C(=O)C(=O)[O-])c1ccccc1C(=O)[O-]	ZINC000027095610	561837977	/nfs/dbraw/zinc/83/79/77/561837977.db2.gz	MOSWXYTWKAJKPK-XMMPIXPASA-N	-3	3	662.696	2.784	1	0		KFAFHL
CCc1cc(C[C@H](NC(C)=O)C(=O)NCCCCOc2cccc([O-])c2C(=O)NC)ccc1N(C(=O)C(=O)[O-])c1ccccc1C(=O)[O-]	ZINC000027095618	561837971	/nfs/dbraw/zinc/83/79/71/561837971.db2.gz	MOSWXYTWKAJKPK-DEOSSOPVSA-N	-3	3	662.696	2.784	1	0		KFAFHL
COc1ccc([C@](C)(NC[C@H](O)c2ccc([O-])c([N-]S(C)(=O)=O)c2)C(=O)Nc2ccccc2OC)cc1	ZINC000027100581	561838676	/nfs/dbraw/zinc/83/86/76/561838676.db2.gz	FMIAVEUDQQPCOV-OZXSUGGESA-N	-2	3	529.615	2.958	1	0		KFAFHL
COc1ccc([C@](C)(NC[C@H](O)c2ccc([O-])c([N-]S(C)(=O)=O)c2)C(=O)Nc2cccc(O)c2)cc1	ZINC000027102672	561839159	/nfs/dbraw/zinc/83/91/59/561839159.db2.gz	FCHYVYSFRFRLIW-ZCYQVOJMSA-N	-2	3	515.588	2.655	1	0		KFAFHL
COc1ccc([C@](C)(NC[C@H](O)c2ccc([O-])c([N-]S(C)(=O)=O)c2)C(=O)Nc2ccc(O)cc2)cc1	ZINC000027103893	561839542	/nfs/dbraw/zinc/83/95/42/561839542.db2.gz	LYIHONGEYSWGDC-ZCYQVOJMSA-N	-2	3	515.588	2.655	1	0		KFAFHL
COc1ccc([C@](C)(NC[C@H](O)c2ccc([O-])c([N-]S(C)(=O)=O)c2)C(=O)Nc2ccc(OC)c(OC)c2)cc1	ZINC000027105538	561840031	/nfs/dbraw/zinc/84/00/31/561840031.db2.gz	XWWMEJFJAGHZHR-HOFKKMOUSA-N	-2	3	559.641	2.967	1	0		KFAFHL
COc1ccc([C@H](NC[C@H](O)c2ccc([O-])c([N-]S(C)(=O)=O)c2)C(=O)Nc2ccc3c(c2)OCO3)cc1	ZINC000027106405	561840257	/nfs/dbraw/zinc/84/02/57/561840257.db2.gz	SUCUIQQTIPILON-URXFXBBRSA-N	-2	3	529.571	2.504	1	0		KFAFHL
COc1ccc([C@](C)(NC[C@H](O)c2ccc([O-])c([N-]S(C)(=O)=O)c2)C(=O)Nc2cc(OC)c(OC)c(OC)c2)cc1	ZINC000027106680	561840279	/nfs/dbraw/zinc/84/02/79/561840279.db2.gz	QXJJXBJTLXLKJR-FIPFOOKPSA-N	-2	3	589.667	2.975	1	0		KFAFHL
COc1ccc([C@](C)(NC[C@H](O)c2ccc([O-])c([N-]S(C)(=O)=O)c2)C(=O)Nc2cccc(C(=O)[O-])c2)cc1	ZINC000027108400	561840712	/nfs/dbraw/zinc/84/07/12/561840712.db2.gz	BYFWUSSAVWEOTB-OZXSUGGESA-N	-3	3	543.598	2.648	1	0		KFAFHL
COc1ccc([C@](C)(NC[C@H](O)c2ccc(O)c([N-]S(C)(=O)=O)c2)C(=O)Nc2cccc(C(=O)[O-])c2)cc1	ZINC000027108400	561840711	/nfs/dbraw/zinc/84/07/11/561840711.db2.gz	BYFWUSSAVWEOTB-OZXSUGGESA-N	-2	3	543.598	2.648	1	0		KFAFHL
COc1ccc(NC(=O)[C@@](C)(NC[C@H](O)c2ccc([O-])c([N-]S(C)(=O)=O)c2)c2ccc(OC)cc2)cc1	ZINC000027109248	561840944	/nfs/dbraw/zinc/84/09/44/561840944.db2.gz	IYVICCIHQPSHNB-AHWVRZQESA-N	-2	3	529.615	2.958	1	0		KFAFHL
COc1ccc([C@](C)(NC[C@H](O)c2ccc([O-])c([N-]S(C)(=O)=O)c2)C(=O)Nc2cccc(OC)c2)cc1	ZINC000027109443	561840940	/nfs/dbraw/zinc/84/09/40/561840940.db2.gz	XIPFERRFRIPHGR-AHWVRZQESA-N	-2	3	529.615	2.958	1	0		KFAFHL
CCCCCC(=O)N(CC(=O)N(CC)CC(=O)N(CCCc1ccccc1)CC(=O)N(CC)CC(N)=O)Cc1ccc(CP(=O)([O-])[O-])cc1	ZINC000027327407	561853892	/nfs/dbraw/zinc/85/38/92/561853892.db2.gz	PYYFASWNOTXKCA-UHFFFAOYSA-N	-2	3	701.802	2.917	1	0		KFAFHL
CCCCCC(=O)N(CC(=O)N(CC)CC(=O)N(CC(=O)N(CC(N)=O)CC(C)C)CC(C)C)Cc1ccc(CP(=O)([O-])[O-])cc1	ZINC000027328817	561854303	/nfs/dbraw/zinc/85/43/03/561854303.db2.gz	HOOZDGBBITXVTG-UHFFFAOYSA-N	-2	3	667.785	2.576	1	0		KFAFHL
CCCCCC(=O)N(CC(=O)N(CC(=O)N(CC)CC(=O)N(CC(N)=O)CC(C)C)CC(C)C)Cc1ccc(CP(=O)([O-])[O-])cc1	ZINC000027329021	561854419	/nfs/dbraw/zinc/85/44/19/561854419.db2.gz	VEZNCBHCOQYDNK-UHFFFAOYSA-N	-2	3	667.785	2.576	1	0		KFAFHL
CCCCCC(=O)N(CC(=O)N(CC)CC(=O)N(CC)CC(=O)N(CCCc1ccccc1)CC(N)=O)Cc1ccc(CP(=O)([O-])[O-])cc1	ZINC000027329060	561854438	/nfs/dbraw/zinc/85/44/38/561854438.db2.gz	XSIHRSDNQZYJHO-UHFFFAOYSA-N	-2	3	701.802	2.917	1	0		KFAFHL
CCCCCC(=O)N(CC(=O)N(CC(=O)N(CC(=O)N(CC)CC(N)=O)CC(C)C)CC(C)C)Cc1ccc(CP(=O)([O-])[O-])cc1	ZINC000027329273	561854464	/nfs/dbraw/zinc/85/44/64/561854464.db2.gz	YMOWUWAKMGKISK-UHFFFAOYSA-N	-2	3	667.785	2.576	1	0		KFAFHL
CCCCCC(=O)N(CC(=O)N(CCCc1ccccc1)CC(=O)N(CC)CC(=O)N(CC)CC(N)=O)Cc1ccc(CP(=O)([O-])[O-])cc1	ZINC000027329676	561854530	/nfs/dbraw/zinc/85/45/30/561854530.db2.gz	BEYIGOWWCIPASX-UHFFFAOYSA-N	-2	3	701.802	2.917	1	0		KFAFHL
O=C([O-])C[C@H](NC(=O)c1cnc(C[N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)s1)C(=O)CSCc1ccccc1Cl	ZINC000027555410	561869334	/nfs/dbraw/zinc/86/93/34/561869334.db2.gz	VCWYKJKQZUPTQP-KRWDZBQOSA-N	-3	3	628.106	2.754	1	0		KFAFHL
O=C([O-])[C@H](CNC(=O)c1ccc2c(cnn2CCCNc2ncc[nH]2)c1)[N-]S(=O)(=O)c1c(Cl)cccc1Cl	ZINC000027648162	561876227	/nfs/dbraw/zinc/87/62/27/561876227.db2.gz	GVYNMUHOCJCTAC-SFHVURJKSA-N	-2	3	580.454	2.730	1	0		KFAFHL
NC(=O)C[C@H](NC(=O)CCCCCNC(=O)[C@@H](CC(=O)[O-])Cc1ccc(CP(=O)([O-])[O-])cc1)C(=O)NCCCc1cccc2ccccc21	ZINC000028113854	561903508	/nfs/dbraw/zinc/90/35/08/561903508.db2.gz	RHENIHXWHJZKOZ-DGPALRBDSA-N	-3	3	696.738	2.937	1	0		KFAFHL
NC(=O)C[C@H](NC(=O)CCCCNC(=O)[C@@H](CC(=O)[O-])Cc1ccc(CP(=O)([O-])[O-])cc1)C(=O)NCCCc1cccc2ccccc21	ZINC000028115719	561903766	/nfs/dbraw/zinc/90/37/66/561903766.db2.gz	QXDGPUCXBSZFOR-PXJZQJOASA-N	-3	3	682.711	2.547	1	0		KFAFHL
COc1ccc2c(cccc2CCCNC(=O)[C@H](CC(N)=O)NC(=O)C2(NC(=O)[C@H](Cc3ccc(CP(=O)([O-])[O-])cc3)NC(C)=O)CCCCC2)c1	ZINC000028224533	561907779	/nfs/dbraw/zinc/90/77/79/561907779.db2.gz	KROYSCLPCFKFPY-ACHIHNKUSA-N	-2	3	737.791	2.502	1	0		KFAFHL
O=C([O-])CCN1CCN([C@@]2(c3ccc(Oc4ccc(Br)cc4)cc3)C(=O)[N-]C(=O)NC2=O)CC1	ZINC000028477212	561928480	/nfs/dbraw/zinc/92/84/80/561928480.db2.gz	VQFRAJKJRLAZOI-UHFFFAOYSA-N	-2	3	531.363	2.735	1	0		KFAFHL
O=C([O-])CCN1CCN([C@]2(c3ccc(Oc4ccc(Br)cc4)cc3)C(=O)[N-]C(=O)NC2=O)CC1	ZINC000028477212	561928479	/nfs/dbraw/zinc/92/84/79/561928479.db2.gz	VQFRAJKJRLAZOI-UHFFFAOYSA-N	-2	3	531.363	2.735	1	0		KFAFHL
O=C([O-])c1cccc([O-])c1C(=O)c1ccc(C(=O)O[C@@H]2CCC[NH2+]C[C@H]2NC(=O)c2ccc([O-])cc2)cc1	ZINC000028522508	561929530	/nfs/dbraw/zinc/92/95/30/561929530.db2.gz	OFPFIAWWDTYSBZ-FYYLOGMGSA-N	-2	3	518.522	2.734	1	0		KFAFHL
NC(=[NH2+])c1ccc2nc(-c3cc([C@@H](CC(=O)[O-])C(=O)[O-])cc(-c4cc(NC(N)=O)ccc4O)c3[O-])[nH]c2c1	ZINC000028571118	561939318	/nfs/dbraw/zinc/93/93/18/561939318.db2.gz	JHBQOFJNFFBKHW-CYBMUJFWSA-N	-2	3	518.486	2.726	1	0		KFAFHL
NC(=[NH2+])c1ccc2[nH]c(-c3cc([C@@H](CC(=O)[O-])C(=O)[O-])cc(-c4cc(NC(N)=O)ccc4O)c3[O-])nc2c1	ZINC000028571118	561939316	/nfs/dbraw/zinc/93/93/16/561939316.db2.gz	JHBQOFJNFFBKHW-CYBMUJFWSA-N	-2	3	518.486	2.726	1	0		KFAFHL
NC(=[NH2+])c1ccc2nc(-c3cc([C@H](CC(=O)[O-])C(=O)[O-])cc(-c4cc(NC(N)=O)ccc4O)c3[O-])[nH]c2c1	ZINC000028571119	561939215	/nfs/dbraw/zinc/93/92/15/561939215.db2.gz	JHBQOFJNFFBKHW-ZDUSSCGKSA-N	-2	3	518.486	2.726	1	0		KFAFHL
NC(=[NH2+])c1ccc2[nH]c(-c3cc([C@H](CC(=O)[O-])C(=O)[O-])cc(-c4cc(NC(N)=O)ccc4O)c3[O-])nc2c1	ZINC000028571119	561939214	/nfs/dbraw/zinc/93/92/14/561939214.db2.gz	JHBQOFJNFFBKHW-ZDUSSCGKSA-N	-2	3	518.486	2.726	1	0		KFAFHL
NC(=[NH2+])c1ccc2nc(-c3cc([C@@H](CC(=O)[O-])C(=O)[O-])cc(-c4cc(C(=O)[O-])ccc4O)c3[O-])[nH]c2c1	ZINC000028571844	561939543	/nfs/dbraw/zinc/93/95/43/561939543.db2.gz	ZZCIJHILHXIOSB-CYBMUJFWSA-N	-3	3	504.455	2.933	1	0		KFAFHL
NC(=[NH2+])c1ccc2[nH]c(-c3cc([C@@H](CC(=O)[O-])C(=O)[O-])cc(-c4cc(C(=O)[O-])ccc4O)c3[O-])nc2c1	ZINC000028571844	561939542	/nfs/dbraw/zinc/93/95/42/561939542.db2.gz	ZZCIJHILHXIOSB-CYBMUJFWSA-N	-3	3	504.455	2.933	1	0		KFAFHL
NC(=[NH2+])c1ccc2nc(-c3cc([C@H](CC(=O)[O-])C(=O)[O-])cc(-c4cc(C(=O)[O-])ccc4O)c3[O-])[nH]c2c1	ZINC000028571845	561939623	/nfs/dbraw/zinc/93/96/23/561939623.db2.gz	ZZCIJHILHXIOSB-ZDUSSCGKSA-N	-3	3	504.455	2.933	1	0		KFAFHL
NC(=[NH2+])c1ccc2[nH]c(-c3cc([C@H](CC(=O)[O-])C(=O)[O-])cc(-c4cc(C(=O)[O-])ccc4O)c3[O-])nc2c1	ZINC000028571845	561939621	/nfs/dbraw/zinc/93/96/21/561939621.db2.gz	ZZCIJHILHXIOSB-ZDUSSCGKSA-N	-3	3	504.455	2.933	1	0		KFAFHL
NC(=[NH2+])c1ccc2nc(-c3cc([C@@H](CC(=O)[O-])C(=O)[O-])cc(-c4cc(CC(=O)[O-])ccc4O)c3[O-])[nH]c2c1	ZINC000028571920	561939672	/nfs/dbraw/zinc/93/96/72/561939672.db2.gz	KEIOOZCFSXHCIU-CQSZACIVSA-N	-3	3	518.482	2.862	1	0		KFAFHL
NC(=[NH2+])c1ccc2[nH]c(-c3cc([C@@H](CC(=O)[O-])C(=O)[O-])cc(-c4cc(CC(=O)[O-])ccc4O)c3[O-])nc2c1	ZINC000028571920	561939670	/nfs/dbraw/zinc/93/96/70/561939670.db2.gz	KEIOOZCFSXHCIU-CQSZACIVSA-N	-3	3	518.482	2.862	1	0		KFAFHL
NC(=[NH2+])c1ccc2nc(-c3cc([C@H](CC(=O)[O-])C(=O)[O-])cc(-c4cc(CC(=O)[O-])ccc4O)c3[O-])[nH]c2c1	ZINC000028571921	561939591	/nfs/dbraw/zinc/93/95/91/561939591.db2.gz	KEIOOZCFSXHCIU-AWEZNQCLSA-N	-3	3	518.482	2.862	1	0		KFAFHL
NC(=[NH2+])c1ccc2[nH]c(-c3cc([C@H](CC(=O)[O-])C(=O)[O-])cc(-c4cc(CC(=O)[O-])ccc4O)c3[O-])nc2c1	ZINC000028571921	561939589	/nfs/dbraw/zinc/93/95/89/561939589.db2.gz	KEIOOZCFSXHCIU-AWEZNQCLSA-N	-3	3	518.482	2.862	1	0		KFAFHL
CCCc1nn(C)c2c1nc(-c1cc(S(=O)(=O)N3CCC(CC(=O)[O-])CC3)ccc1OCC)[n-]c2=O	ZINC000028895590	561978990	/nfs/dbraw/zinc/97/89/90/561978990.db2.gz	UBCITXYVFJLZMG-UHFFFAOYSA-N	-2	3	517.608	2.550	1	0		KFAFHL
CCCc1nn(C)c2c1nc(-c1cc(S(=O)(=O)N3CCC(CCC(=O)[O-])CC3)ccc1OCC)[n-]c2=O	ZINC000028895596	561978994	/nfs/dbraw/zinc/97/89/94/561978994.db2.gz	CWRKHPCKDQGTTI-UHFFFAOYSA-N	-2	3	531.635	2.940	1	0		KFAFHL
CCCOc1ccc(S(=O)(=O)N2CCC(C(=O)[O-])CC2)cc1-c1nc2c(CCC)nn(C)c2c(=O)[n-]1	ZINC000028895614	561979042	/nfs/dbraw/zinc/97/90/42/561979042.db2.gz	WVTFDIKAJDHPCY-UHFFFAOYSA-N	-2	3	517.608	2.550	1	0		KFAFHL
CCCOc1ccc(S(=O)(=O)N2CCC(CC(=O)[O-])CC2)cc1-c1nc2c(CCC)nn(C)c2c(=O)[n-]1	ZINC000028895649	561978979	/nfs/dbraw/zinc/97/89/79/561978979.db2.gz	MEKKLAMMHOJJHA-UHFFFAOYSA-N	-2	3	531.635	2.940	1	0		KFAFHL
C[C@@H](NC(=O)c1cc(=O)cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)[n-]1)c1ccccc1	ZINC000029039568	561989961	/nfs/dbraw/zinc/98/99/61/561989961.db2.gz	SNMZYKGCZUWWIW-ATVOGRQSSA-N	-2	3	606.643	2.799	1	0		KFAFHL
C[C@@H](NC(=O)c1cc(=O)cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)[n-]1)c1ccccc1	ZINC000029039568	561989960	/nfs/dbraw/zinc/98/99/60/561989960.db2.gz	SNMZYKGCZUWWIW-ATVOGRQSSA-N	-2	3	606.643	2.799	1	0		KFAFHL
CC(C)(NC(=O)c1cc(=O)cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)[n-]1)c1ccccc1	ZINC000029039572	561990095	/nfs/dbraw/zinc/99/00/95/561990095.db2.gz	OVTQEIOCMROWGZ-LSYYVWMOSA-N	-2	3	620.670	2.973	1	0		KFAFHL
CC(C)(NC(=O)c1cc(=O)cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)[n-]1)c1ccccc1	ZINC000029039572	561990093	/nfs/dbraw/zinc/99/00/93/561990093.db2.gz	OVTQEIOCMROWGZ-LSYYVWMOSA-N	-2	3	620.670	2.973	1	0		KFAFHL
CC(C)CCn1nc(-c2cccs2)c([O-])c(C2=NS(=O)(=O)c3cc(S(=O)(=O)N(C)C)ccc3[N-]2)c1=O	ZINC000029046171	561992847	/nfs/dbraw/zinc/99/28/47/561992847.db2.gz	MPBFILOXUKLJLC-UHFFFAOYSA-N	-2	3	551.672	2.535	1	0		KFAFHL
CC(C)CCn1nc(-c2cccs2)c([O-])c(C2=NS(=O)(=O)c3cc(S(C)(=O)=O)ccc3[N-]2)c1=O	ZINC000029046324	561992854	/nfs/dbraw/zinc/99/28/54/561992854.db2.gz	FDZYGDHUNQLBNP-UHFFFAOYSA-N	-2	3	522.630	2.688	1	0		KFAFHL
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)[O-])C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cc(Cl)c([O-])c(Cl)c1	ZINC000029128139	562000604	/nfs/dbraw/zinc/00/06/04/562000604.db2.gz	UQAPDUYQJPKWFG-JYIQTIOUSA-N	-2	3	696.629	2.590	1	0		KFAFHL
COc1cc(CN(CCN(Cc2cc(OC)c(OC)c(OC)c2)C(=O)[O-])CC(=O)[O-])cc(OC)c1OC	ZINC000029212754	562005998	/nfs/dbraw/zinc/00/59/98/562005998.db2.gz	ZSWDVPLSRYBEAB-UHFFFAOYSA-N	-2	3	522.551	2.805	1	0		KFAFHL
CC(C)C[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1)P(=O)([O-])[O-]	ZINC000029403267	562020172	/nfs/dbraw/zinc/02/01/72/562020172.db2.gz	GVAHUOPZUZXLJB-FKWFRFQNSA-N	-2	3	682.715	2.632	1	0		KFAFHL
CC(C)C[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1)P(=O)([O-])[O-]	ZINC000029403267	562020171	/nfs/dbraw/zinc/02/01/71/562020171.db2.gz	GVAHUOPZUZXLJB-FKWFRFQNSA-N	-2	3	682.715	2.632	1	0		KFAFHL
CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1)P(=O)([O-])[O-]	ZINC000029403272	562020166	/nfs/dbraw/zinc/02/01/66/562020166.db2.gz	GVAHUOPZUZXLJB-QUAHOIDUSA-N	-2	3	682.715	2.632	1	0		KFAFHL
CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1)P(=O)([O-])[O-]	ZINC000029403272	562020165	/nfs/dbraw/zinc/02/01/65/562020165.db2.gz	GVAHUOPZUZXLJB-QUAHOIDUSA-N	-2	3	682.715	2.632	1	0		KFAFHL
COC(=O)c1cccc([O-])c1C(=O)c1c([O-])cc(C(=O)O[C@@H]2C[NH2+]C[C@@H]2Cc2ccc(O)cc2)cc1[O-]	ZINC000029469755	562025359	/nfs/dbraw/zinc/02/53/59/562025359.db2.gz	PEZLAFKDOMGSEL-KSFYIVLOSA-N	-2	3	507.495	2.514	1	0		KFAFHL
COC(=O)c1cccc([O-])c1C(=O)c1c([O-])cc(C(=O)O[C@H]2C[NH2+]C[C@@H]2Cc2ccc(O)cc2)cc1[O-]	ZINC000029469759	562025293	/nfs/dbraw/zinc/02/52/93/562025293.db2.gz	PEZLAFKDOMGSEL-AOMKIAJQSA-N	-2	3	507.495	2.514	1	0		KFAFHL
COC(=O)c1cccc([O-])c1C(=O)c1c([O-])cc(C(=O)O[C@H]2C[NH2+]C[C@H]2Cc2ccc(O)cc2)cc1[O-]	ZINC000029469765	562025278	/nfs/dbraw/zinc/02/52/78/562025278.db2.gz	PEZLAFKDOMGSEL-ZHRRBRCNSA-N	-2	3	507.495	2.514	1	0		KFAFHL
CCCCCNC(=O)[C@H](Cc1ccc(OCC(=O)[O-])c(-c2nn[n-]n2)c1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C	ZINC000029474940	562026329	/nfs/dbraw/zinc/02/63/29/562026329.db2.gz	KXFBWTYGBORVKO-ZEQRLZLVSA-N	-2	3	623.711	2.800	1	0		KFAFHL
CCCCCNC(=O)[C@H](Cc1ccc(OCC(=O)[O-])c(-c2nnn[n-]2)c1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C	ZINC000029474940	562026327	/nfs/dbraw/zinc/02/63/27/562026327.db2.gz	KXFBWTYGBORVKO-ZEQRLZLVSA-N	-2	3	623.711	2.800	1	0		KFAFHL
O=C([O-])c1cccc([O-])c1C(=O)c1c([O-])cc(C(=O)NC[C@@H]2CCC[C@H]2NC(=O)c2ccc([O-])cc2)cc1[O-]	ZINC000029570562	562035551	/nfs/dbraw/zinc/03/55/51/562035551.db2.gz	BNMRZXAWYGJIEE-HNAYVOBHSA-N	-5	3	534.521	2.767	1	0		KFAFHL
O=C([O-])c1cccc([O-])c1C(=O)c1c([O-])cc(C(=O)NC[C@@H]2CCC[C@H]2NC(=O)c2ccc(O)cc2)cc1[O-]	ZINC000029570562	562035549	/nfs/dbraw/zinc/03/55/49/562035549.db2.gz	BNMRZXAWYGJIEE-HNAYVOBHSA-N	-4	3	534.521	2.767	1	0		KFAFHL
O=C1C[C@@H](c2ccc(C[C@@H]([N-]S(=O)(=O)c3ccc(F)cc3F)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1	ZINC000036088493	562046270	/nfs/dbraw/zinc/04/62/70/562046270.db2.gz	FAALJQOGTJOOFY-IRLDBZIGSA-N	-2	3	546.577	2.994	1	0		KFAFHL
O=C1C[C@@H](c2ccc(C[C@H]([N-]S(=O)(=O)c3ccc(F)cc3F)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1	ZINC000036088496	562046316	/nfs/dbraw/zinc/04/63/16/562046316.db2.gz	FAALJQOGTJOOFY-UNMCSNQZSA-N	-2	3	546.577	2.994	1	0		KFAFHL
O=C1C[C@H](c2ccc(C[C@@H]([N-]S(=O)(=O)c3ccc(F)cc3F)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1	ZINC000036088500	562046321	/nfs/dbraw/zinc/04/63/21/562046321.db2.gz	FAALJQOGTJOOFY-IFMALSPDSA-N	-2	3	546.577	2.994	1	0		KFAFHL
O=C1C[C@H](c2ccc(C[C@H]([N-]S(=O)(=O)c3ccc(F)cc3F)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1	ZINC000036088504	562046284	/nfs/dbraw/zinc/04/62/84/562046284.db2.gz	FAALJQOGTJOOFY-RBBKRZOGSA-N	-2	3	546.577	2.994	1	0		KFAFHL
O=C1C[C@@H](c2ccc(C[C@@H]([N-]S(=O)(=O)c3cc(F)ccc3F)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1	ZINC000036088538	562046325	/nfs/dbraw/zinc/04/63/25/562046325.db2.gz	MKJMILQLYQFSMD-RTWAWAEBSA-N	-2	3	546.577	2.994	1	0		KFAFHL
O=C1C[C@@H](c2ccc(C[C@H]([N-]S(=O)(=O)c3cc(F)ccc3F)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1	ZINC000036088542	562046331	/nfs/dbraw/zinc/04/63/31/562046331.db2.gz	MKJMILQLYQFSMD-SFTDATJTSA-N	-2	3	546.577	2.994	1	0		KFAFHL
O=C1C[C@H](c2ccc(C[C@@H]([N-]S(=O)(=O)c3cc(F)ccc3F)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1	ZINC000036088546	562046249	/nfs/dbraw/zinc/04/62/49/562046249.db2.gz	MKJMILQLYQFSMD-NHCUHLMSSA-N	-2	3	546.577	2.994	1	0		KFAFHL
O=C1C[C@H](c2ccc(C[C@H]([N-]S(=O)(=O)c3cc(F)ccc3F)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1	ZINC000036088549	562046329	/nfs/dbraw/zinc/04/63/29/562046329.db2.gz	MKJMILQLYQFSMD-LEWJYISDSA-N	-2	3	546.577	2.994	1	0		KFAFHL
O=C1C[C@@H](c2ccc(C[C@@H]([N-]S(=O)(=O)c3cc(F)cc(F)c3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1	ZINC000036088629	562046411	/nfs/dbraw/zinc/04/64/11/562046411.db2.gz	TZSWCNIVVBIBKO-YADHBBJMSA-N	-2	3	546.577	2.994	1	0		KFAFHL
O=C1C[C@@H](c2ccc(C[C@H]([N-]S(=O)(=O)c3cc(F)cc(F)c3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1	ZINC000036088633	562046358	/nfs/dbraw/zinc/04/63/58/562046358.db2.gz	TZSWCNIVVBIBKO-VXKWHMMOSA-N	-2	3	546.577	2.994	1	0		KFAFHL
O=C1C[C@H](c2ccc(C[C@@H]([N-]S(=O)(=O)c3cc(F)cc(F)c3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1	ZINC000036088636	562046364	/nfs/dbraw/zinc/04/63/64/562046364.db2.gz	TZSWCNIVVBIBKO-FGZHOGPDSA-N	-2	3	546.577	2.994	1	0		KFAFHL
O=C1C[C@H](c2ccc(C[C@H]([N-]S(=O)(=O)c3cc(F)cc(F)c3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1	ZINC000036088639	562046368	/nfs/dbraw/zinc/04/63/68/562046368.db2.gz	TZSWCNIVVBIBKO-FCHUYYIVSA-N	-2	3	546.577	2.994	1	0		KFAFHL
Cc1ccc(-c2nn(-c3cccc(C(=O)NCCC[P@](=O)([O-])CP(=O)([O-])[O-])c3)c3ncnc(N)c23)cc1	ZINC000042201523	562087489	/nfs/dbraw/zinc/08/74/89/562087489.db2.gz	LXKOQGBFZRRTSK-UHFFFAOYSA-N	-3	3	544.445	2.899	1	0		KFAFHL
CC(C)CCn1c2ccsc2c([O-])c(C2=NS(=O)(=O)c3cc(O[C@H](C)C(N)=O)ccc3[N-]2)c1=O	ZINC000043069111	562645449	/nfs/dbraw/zinc/64/54/49/562645449.db2.gz	GKMQPSDSAWQSEV-GFCCVEGCSA-N	-2	3	504.590	2.628	1	0		KFAFHL
O=C([O-])[C@@H]1CC=CC(O)=C1C(=O)c1ccc(C(=O)O[C@H]2CCCOC[C@H]2NC(=O)c2ccc([O-])cc2)cc1[O-]	ZINC000043677135	562650755	/nfs/dbraw/zinc/65/07/55/562650755.db2.gz	IBRAPAZCYFZVRR-MYSJAJEPSA-N	-3	3	537.521	2.744	1	0		KFAFHL
O=C([O-])[C@@H]1CC=CC(O)=C1C(=O)c1ccc(C(=O)O[C@H]2CCCOC[C@H]2NC(=O)c2ccc(O)cc2)cc1[O-]	ZINC000043677135	562650754	/nfs/dbraw/zinc/65/07/54/562650754.db2.gz	IBRAPAZCYFZVRR-MYSJAJEPSA-N	-2	3	537.521	2.744	1	0		KFAFHL
O=C([O-])[C@@H]1CC=CC(O)=C1C(=O)c1ccc(C(=O)O[C@H]2CCCOC[C@H]2NC(=O)c2ccc([O-])cc2)cc1[O-]	ZINC000043677137	562650730	/nfs/dbraw/zinc/65/07/30/562650730.db2.gz	IBRAPAZCYFZVRR-CHOVIJNXSA-N	-3	3	537.521	2.744	1	0		KFAFHL
O=C([O-])[C@@H]1CC=CC(O)=C1C(=O)c1ccc(C(=O)O[C@H]2CCCOC[C@H]2NC(=O)c2ccc(O)cc2)cc1[O-]	ZINC000043677137	562650729	/nfs/dbraw/zinc/65/07/29/562650729.db2.gz	IBRAPAZCYFZVRR-CHOVIJNXSA-N	-2	3	537.521	2.744	1	0		KFAFHL
CCCS(=O)(=O)N1CCC([C@@H]([N-]S(=O)(=O)c2ccc(-c3ccc(OCC)cc3)s2)C(=O)[O-])CC1	ZINC000044388102	562656266	/nfs/dbraw/zinc/65/62/66/562656266.db2.gz	OPQNDFWCTZLCMD-OAQYLSRUSA-N	-2	3	530.690	2.997	1	0		KFAFHL
COc1c(N2C[C@@H]3CCC[NH2+][C@@H]3C2)c(F)cc2c(=O)c(C(=O)OCCCCC(P(=O)([O-])[O-])P(=O)([O-])[O-])cn(C3CC3)c21	ZINC000044404847	562656546	/nfs/dbraw/zinc/65/65/46/562656546.db2.gz	IKMWVNJXXORYKX-MGPUTAFESA-N	-3	3	631.531	2.681	1	0		KFAFHL
O=C([O-])CCN1CCC([N-]S(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C(F)(F)F)CC1	ZINC000045336355	562661400	/nfs/dbraw/zinc/66/14/00/562661400.db2.gz	CINMAWWAAKERIH-UHFFFAOYSA-N	-2	3	520.551	2.756	1	0		KFAFHL
C[C@](N)(COP(=O)([O-])[O-])C(=O)Nc1ccc(OCCc2ccc(-c3ccccc3)cc2)c(C(N)=O)c1	ZINC000049071358	562664132	/nfs/dbraw/zinc/66/41/32/562664132.db2.gz	QNJUIJYMNKFBHK-VWLOTQADSA-N	-2	3	513.487	2.839	1	0		KFAFHL
O=C([O-])c1ccc([O-])c(-c2nc(C(=O)NCCOCCOCCNC(=O)c3csc(-c4cc(C(=O)[O-])ccc4[O-])n3)cs2)c1	ZINC000049756038	562674754	/nfs/dbraw/zinc/67/47/54/562674754.db2.gz	DTZCAXUBQULDKT-UHFFFAOYSA-N	-4	3	642.668	2.934	1	0		KFAFHL
O=C([O-])c1ccc([O-])c(-c2nc(C(=O)NCCOCCOCCNC(=O)c3csc(-c4cc(C(=O)[O-])ccc4O)n3)cs2)c1	ZINC000049756038	562674753	/nfs/dbraw/zinc/67/47/53/562674753.db2.gz	DTZCAXUBQULDKT-UHFFFAOYSA-N	-3	3	642.668	2.934	1	0		KFAFHL
O=S(=O)([N-]CCCC[N-]S(=O)(=O)C(F)(F)F)c1ccc(Cl)cc1S(=O)(=O)c1ccccc1F	ZINC000049757070	562675513	/nfs/dbraw/zinc/67/55/13/562675513.db2.gz	OOVUQROFIYVYHF-UHFFFAOYSA-N	-2	3	552.977	2.810	1	0		KFAFHL
O=C([O-])CCC(=O)N1CCC([N-]S(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C(F)(F)F)CC1	ZINC000049757299	562675851	/nfs/dbraw/zinc/67/58/51/562675851.db2.gz	MJRLIVFDLFBXET-UHFFFAOYSA-N	-2	3	548.561	2.672	1	0		KFAFHL
CC(C)(C(=O)NC(P(=O)([O-])[O-])P(=O)([O-])[O-])C(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C	ZINC000049757388	562675943	/nfs/dbraw/zinc/67/59/43/562675943.db2.gz	FPWQOIRCMBVENI-TTYPXMTQSA-N	-4	3	559.489	2.942	1	0		KFAFHL
COc1c(N2C[C@@H]3CCC[NH2+][C@@H]3C2)c(F)cc2c(=O)c(C(=O)OCC(=O)Nc3ccc(CC(P(=O)([O-])[O-])P(=O)([O-])[O-])cc3)cn(C3CC3)c21	ZINC000049832846	562687301	/nfs/dbraw/zinc/68/73/01/562687301.db2.gz	CKBNRWGWLAZCFQ-MHECFPHRSA-N	-3	3	722.600	2.692	1	0		KFAFHL
COc1c(N2CCN(C(=O)O[C@@H](C)OC(=O)CCCC(P(=O)([O-])[O-])P(=O)([O-])[O-])[C@@H](C)C2)c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c21	ZINC000049833285	562687678	/nfs/dbraw/zinc/68/76/78/562687678.db2.gz	ISDGBCHQSUORPX-GJZGRUSLSA-N	-5	3	707.538	2.570	1	0		KFAFHL
COc1c(N2CCN(C(=O)O[C@@H](C)OC(=O)CCCC(P(=O)([O-])[O-])P(=O)([O-])[O-])[C@H](C)C2)c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c21	ZINC000058520998	562698608	/nfs/dbraw/zinc/69/86/08/562698608.db2.gz	ISDGBCHQSUORPX-CABCVRRESA-N	-5	3	707.538	2.570	1	0		KFAFHL
CC(C)(C)OC(=O)N(CC[N-]C(=O)C(F)(F)F)CCN(CC[N-]C(=O)C(F)(F)F)C(=O)OC(C)(C)C	ZINC000058538167	562698757	/nfs/dbraw/zinc/69/87/57/562698757.db2.gz	XGBCUCRRKXJGDK-UHFFFAOYSA-N	-2	3	538.486	2.818	1	0		KFAFHL
N[C@@H](Cc1c(F)cc([O-])cc1F)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CC(=O)[O-])c1nc2ccccc2[nH]1	ZINC000058576111	562699668	/nfs/dbraw/zinc/69/96/68/562699668.db2.gz	VHQDQWVFVCXFSZ-TUSQITKMSA-N	-2	3	563.561	2.702	1	0		KFAFHL
CCCc1cc(C(=O)Nc2c([O-])c3ccc(O[C@@H]4OC(C)(C)[C@H](OC)[C@@H](O)[C@H]4O)c(C)c3oc2=O)ccc1[O-]	ZINC000064448936	562705592	/nfs/dbraw/zinc/70/55/92/562705592.db2.gz	RSLKARIZRNNERP-CXTNQITHSA-N	-2	3	543.569	2.968	1	0		KFAFHL
COc1cc([C@H]2Oc3cc(-c4oc5cc([O-])cc([O-])c5c(=O)c4O)ccc3O[C@H]2COS(=O)(=O)[O-])ccc1O	ZINC000072105375	562720785	/nfs/dbraw/zinc/72/07/85/562720785.db2.gz	BRRUHUASKVUYLZ-GBXCKJPGSA-N	-3	3	560.489	2.992	1	0		KFAFHL
COc1cc([C@@H]2Oc3cc(-c4oc5cc([O-])cc([O-])c5c(=O)c4O)ccc3O[C@H]2COS(=O)(=O)[O-])ccc1O	ZINC000072105376	562720808	/nfs/dbraw/zinc/72/08/08/562720808.db2.gz	BRRUHUASKVUYLZ-RDPSFJRHSA-N	-3	3	560.489	2.992	1	0		KFAFHL
COc1cc([C@H]2Oc3cc(-c4oc5cc([O-])cc([O-])c5c(=O)c4O)ccc3O[C@@H]2COS(=O)(=O)[O-])ccc1O	ZINC000072105377	562720811	/nfs/dbraw/zinc/72/08/11/562720811.db2.gz	BRRUHUASKVUYLZ-HYBUGGRVSA-N	-3	3	560.489	2.992	1	0		KFAFHL
COc1cc([C@@H]2Oc3cc(-c4oc5cc([O-])cc([O-])c5c(=O)c4O)ccc3O[C@@H]2COS(=O)(=O)[O-])ccc1O	ZINC000072105378	562720819	/nfs/dbraw/zinc/72/08/19/562720819.db2.gz	BRRUHUASKVUYLZ-YKSBVNFPSA-N	-3	3	560.489	2.992	1	0		KFAFHL
N[C@@H](CC(=O)[O-])C(=O)Nc1ccc(C(=O)N[C@@H](CCc2ccccc2)C(=O)[O-])cc1OCc1ccccc1	ZINC000072118701	562723659	/nfs/dbraw/zinc/72/36/59/562723659.db2.gz	UWOQGVCOBIWEJL-GMAHTHKFSA-N	-2	3	519.554	2.822	1	0		KFAFHL
CCOC(=O)[C@]([N-]c1ccc(S(=O)(=O)[N-]c2ccc(OC)nn2)cc1)(NC(=O)c1ccccc1)C(F)(F)F	ZINC000073417897	562738787	/nfs/dbraw/zinc/73/87/87/562738787.db2.gz	JOUSFQISCOTOSZ-QFIPXVFZSA-N	-2	3	553.519	2.950	1	0		KFAFHL
CCOC(=O)c1c([O-])c(C(c2c(Cl)cccc2Cl)c2c([O-])c(C(=O)OCC)c(N3CCN(C)CC3)[nH]c2=O)c(=O)[nH]c1N1CCN(C)CC1	ZINC000082186018	562742361	/nfs/dbraw/zinc/74/23/61/562742361.db2.gz	WKIWQXWKYRFBMU-UHFFFAOYSA-N	-2	3	719.623	2.818	1	0		KFAFHL
COc1cc([C@H]2Oc3cc(-c4oc5cc(OS(=O)(=O)[O-])cc(=O)c-5c([O-])c4[O-])ccc3O[C@H]2CO)ccc1O	ZINC000084617762	562744940	/nfs/dbraw/zinc/74/49/40/562744940.db2.gz	DYOANEHWBRCWNM-GBXCKJPGSA-N	-3	3	560.489	2.640	1	0		KFAFHL
COc1cc([C@@H]2Oc3cc(-c4oc5cc(OS(=O)(=O)[O-])cc(=O)c-5c([O-])c4[O-])ccc3O[C@H]2CO)ccc1O	ZINC000084617763	562744961	/nfs/dbraw/zinc/74/49/61/562744961.db2.gz	DYOANEHWBRCWNM-RDPSFJRHSA-N	-3	3	560.489	2.640	1	0		KFAFHL
COc1cc([C@H]2Oc3cc(-c4oc5cc(OS(=O)(=O)[O-])cc(=O)c-5c([O-])c4[O-])ccc3O[C@@H]2CO)ccc1O	ZINC000084617766	562744977	/nfs/dbraw/zinc/74/49/77/562744977.db2.gz	DYOANEHWBRCWNM-HYBUGGRVSA-N	-3	3	560.489	2.640	1	0		KFAFHL
COc1cc([C@@H]2Oc3cc(-c4oc5cc(OS(=O)(=O)[O-])cc(=O)c-5c([O-])c4[O-])ccc3O[C@@H]2CO)ccc1O	ZINC000084617767	562744953	/nfs/dbraw/zinc/74/49/53/562744953.db2.gz	DYOANEHWBRCWNM-YKSBVNFPSA-N	-3	3	560.489	2.640	1	0		KFAFHL
CC(C)C[C@H](NC(=O)c1ccc(NC(=O)[C@@H](N)CC(=O)[O-])c(OCCc2c[nH]c3ccccc23)c1)C(=O)[O-]	ZINC000084652494	562746580	/nfs/dbraw/zinc/74/65/80/562746580.db2.gz	WJMSVTWAFHXZSY-UGKGYDQZSA-N	-2	3	524.574	2.759	1	0		KFAFHL
O=S(=O)(Cc1nnc(CS(=O)(=O)c2c[n-]cc2S(=O)(=O)c2ccccc2)s1)[N-]c1ccccc1	ZINC000084653985	562747090	/nfs/dbraw/zinc/74/70/90/562747090.db2.gz	NIWBDGBSSIQAOI-UHFFFAOYSA-N	-2	3	538.654	2.615	1	0		KFAFHL
Cc1ccc([N-]S(=O)(=O)Cc2nnc(CS(=O)(=O)c3c[n-]nc3S(=O)(=O)c3ccc(C)cc3)s2)cc1	ZINC000084655440	562747554	/nfs/dbraw/zinc/74/75/54/562747554.db2.gz	WOQQPTZKECWWOI-UHFFFAOYSA-N	-2	3	567.696	2.627	1	0		KFAFHL
Cc1ccc([N-]S(=O)(=O)Cc2nnc(CS(=O)(=O)c3cn[n-]c3S(=O)(=O)c3ccc(C)cc3)s2)cc1	ZINC000084655440	562747553	/nfs/dbraw/zinc/74/75/53/562747553.db2.gz	WOQQPTZKECWWOI-UHFFFAOYSA-N	-2	3	567.696	2.627	1	0		KFAFHL
Cc1ccc([N-]S(=O)(=O)Cc2nnc(CS(=O)(=O)c3c[n-]cc3S(=O)(=O)c3ccc(C)cc3)o2)cc1	ZINC000084710023	562750427	/nfs/dbraw/zinc/75/04/27/562750427.db2.gz	ASCPAIPDRBERDD-UHFFFAOYSA-N	-2	3	550.640	2.763	1	0		KFAFHL
CCNc1cc(O[C@@H]2O[C@H](COC(=O)c3cc(OC)c([O-])c(OCCc4cccc(CC)c4)c3O)[C@@H](O)[C@H](O)[C@H]2O)c2c(c1C(=O)[O-])CCCO2	ZINC000085489653	291758987	/nfs/dbraw/zinc/75/89/87/291758987.db2.gz	CNYTXQLWUKHIII-UOYTUHCWSA-N	-2	3	713.733	2.789	1	0	biogenic,in-vitro	KFAFHL
O=C([O-])CC(=O)OC[C@@H]1O[C@H](Oc2ccc3c(=O)c(-c4ccc([O-])cc4)coc3c2)[C@@H](OCCc2ccccc2)[C@H](O)[C@H]1O	ZINC000085504431	565129442	/nfs/dbraw/zinc/12/94/42/565129442.db2.gz	SNTHWOVLCQVQNV-VREMGYNISA-N	-2	3	606.580	2.637	1	0	biogenic,in-vitro	KFAFHL
COc1ccc(-c2cc([O-])c3c(=O)c(O[C@]4(O)CCC[C@H](Cc5ccccc5)C4)c(O[C@@H]4O[C@H](C(=O)[O-])[C@@H](O)[C@@H](O)[C@H]4O)cc-3o2)cc1	ZINC000085506435	565130789	/nfs/dbraw/zinc/13/07/89/565130789.db2.gz	KLGFECFODYMXTH-UVURAXFMSA-N	-2	3	664.660	2.946	1	0	biogenic,in-vitro	KFAFHL
O=C([O-])[C@H]1O[C@@H](Oc2cc3oc(-c4ccc(OC5CCCC5)cc4)cc([O-])c-3c(=O)c2OC2(O)CCCCC2)[C@H](O)[C@H](O)[C@@H]1O	ZINC000085506490	565130811	/nfs/dbraw/zinc/13/08/11/565130811.db2.gz	CZIKQLUVCDTOKO-NOWDPZSZSA-N	-2	3	628.627	2.790	1	0	biogenic,in-vitro	KFAFHL
CC(=O)c1c(C)cc2cc(C(=O)[O-])cc(O[C@@H]3O[C@H](CO)[C@](O)(CC[C@@H]4CCC[C@@H]5COCC[C@H]45)[C@H](O)[C@H]3O)c2c1[O-]	ZINC000085511433	291756157	/nfs/dbraw/zinc/75/61/57/291756157.db2.gz	VZMPHYFQGQMAOR-QLRVEFOKSA-N	-2	3	588.650	2.537	1	0	biogenic,in-vitro	KFAFHL
CC(=O)c1c(C)cc2cc(C(=O)[O-])cc(O[C@@H]3O[C@@H]4[C@@]5(O)[C@H]6C=CO[C@@]4(CC[C@@H]5CCC6)[C@H](O)[C@H]3O)c2c1[O-]	ZINC000085511635	560073801	/nfs/dbraw/zinc/07/38/01/560073801.db2.gz	ASYSBXUMARYLEB-FLEXURKGSA-N	-2	3	540.565	2.804	1	0	biogenic,in-vitro	KFAFHL
Cc1cc2cc(C(=O)[O-])cc(O[C@@H]3O[C@@H]4[C@@H](O)CC[C@@H](C)[C@]4(O)[C@H](O)[C@H]3O)c2c([O-])c1C(=O)CCc1ccccc1	ZINC000085511727	291769262	/nfs/dbraw/zinc/76/92/62/291769262.db2.gz	BJXZKGOMUUZALV-YEYFMVNUSA-N	-2	3	566.603	2.715	1	0	biogenic,in-vitro	KFAFHL
CC(=O)c1c(C)cc2cc(C(=O)[O-])cc(O[C@@H]3O[C@H]([C@]4(O)CCCC5(CCCC5)C4)[C@@H](O)[C@H](O)[C@H]3O)c2c1[O-]	ZINC000085511741	560073769	/nfs/dbraw/zinc/07/37/69/560073769.db2.gz	VIPNHQIHWNTXKQ-WGNSLHQYSA-N	-2	3	544.597	2.807	1	0	biogenic,in-vitro	KFAFHL
Cc1cc2cc(C(=O)[O-])cc(O[C@@H]3O[C@H](C4(O)CCCC4)[C@@H](O)[C@H](O)[C@H]3O)c2c([O-])c1C(=O)CCc1ccccc1	ZINC000085511817	291769266	/nfs/dbraw/zinc/76/92/66/291769266.db2.gz	BNFDKZPWWIFPOQ-NEOPOEGOSA-N	-2	3	566.603	2.859	1	0	biogenic,in-vitro	KFAFHL
CCC[C@@H]1O[C@@H](Oc2c(=O)c3c([O-])cc([O-])cc3oc2-c2ccc([O-])cc2)[C@H](OC(C)=O)[C@H](O)[C@H]1OC(C)=O	ZINC000095580944	562772038	/nfs/dbraw/zinc/77/20/38/562772038.db2.gz	KJNVQQRKZXSWGI-WGXSRGGHSA-N	-3	3	544.509	2.705	1	0		KFAFHL
CCC[C@@H]1O[C@@H](Oc2c(=O)c3c([O-])cc([O-])cc3oc2-c2ccc(O)cc2)[C@H](OC(C)=O)[C@H](O)[C@H]1OC(C)=O	ZINC000095580944	562772037	/nfs/dbraw/zinc/77/20/37/562772037.db2.gz	KJNVQQRKZXSWGI-WGXSRGGHSA-N	-2	3	544.509	2.705	1	0		KFAFHL
CCC[C@@H]1O[C@@H](Oc2c(=O)c3c([O-])cc([O-])cc3oc2-c2ccc([O-])cc2)[C@H](O)[C@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000095582689	562772671	/nfs/dbraw/zinc/77/26/71/562772671.db2.gz	PRMVLMCLSDUYOK-ODHHTFEASA-N	-3	3	544.509	2.705	1	0		KFAFHL
CCC[C@@H]1O[C@@H](Oc2c(=O)c3c([O-])cc([O-])cc3oc2-c2ccc(O)cc2)[C@H](O)[C@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000095582689	562772670	/nfs/dbraw/zinc/77/26/70/562772670.db2.gz	PRMVLMCLSDUYOK-ODHHTFEASA-N	-2	3	544.509	2.705	1	0		KFAFHL
COc1cc2cccc(CCCNC(=O)[C@H](CC(N)=O)NC(=O)C3(NC(=O)[C@H](Cc4ccc(CP(=O)([O-])[O-])cc4)NC(C)=O)CCCCC3)c2cc1OC	ZINC000095606305	562782017	/nfs/dbraw/zinc/78/20/17/562782017.db2.gz	SLXHIXKJEPUSKD-CONSDPRKSA-N	-2	3	767.817	2.510	1	0		KFAFHL
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC[C@H](CC(C)C)C(=O)[O-])C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@H](CC(=O)[O-])Cc1ccccc1	ZINC000095607836	562783168	/nfs/dbraw/zinc/78/31/68/562783168.db2.gz	RFUHKNDCMIJDQD-ZWHHYXARSA-N	-2	3	817.985	2.815	1	0		KFAFHL
CN(C)C(=O)COc1ccc2c(c1)S(=O)(=O)N=C(c1c([O-])c3cc(F)ccc3n(CCC3CC3)c1=O)[N-]2	ZINC000102002854	562812521	/nfs/dbraw/zinc/81/25/21/562812521.db2.gz	CEVBDPVAKUNIQD-UHFFFAOYSA-N	-2	3	528.562	2.674	1	0		KFAFHL
O=C([O-])COc1ccc2c(c1)S(=O)(=O)N=C(c1c([O-])c3cc(F)ccc3n(CCC3CC3)c1=O)[N-]2	ZINC000102011184	562812558	/nfs/dbraw/zinc/81/25/58/562812558.db2.gz	HSSIVANTQPVYSA-UHFFFAOYSA-N	-3	3	501.492	2.671	1	0		KFAFHL
CC(C)(Oc1ccc2c(c1)S(=O)(=O)N=C(c1c([O-])c3cc(F)ccc3n(CCC3CC3)c1=O)[N-]2)C(N)=O	ZINC000102033472	562812589	/nfs/dbraw/zinc/81/25/89/562812589.db2.gz	KWBZKEXGOKVYSY-UHFFFAOYSA-N	-2	3	528.562	2.850	1	0		KFAFHL
CC(C)(C)OC(=O)N1CCN(C(=S)SCc2cn(Cc3cc(=O)oc4cc([O-])cc([O-])c34)nn2)CC1	ZINC000103297592	562824618	/nfs/dbraw/zinc/82/46/18/562824618.db2.gz	YGCGBZWVXWOBEC-UHFFFAOYSA-N	-2	3	533.632	2.915	1	0		KFAFHL
O=C([O-])[C@H](CCc1ccccc1)N[C@@H](Cc1ccc(-c2cccc(Cl)c2)cc1)C(=O)[N-]C1=NNNN1	ZINC000142162529	562833976	/nfs/dbraw/zinc/83/39/76/562833976.db2.gz	UICHKPYJUXBLSG-GOTSBHOMSA-N	-2	3	506.994	2.593	1	0		KFAFHL
CC(=O)O[C@H]1[C@H](Oc2c(=O)c3c([O-])cc([O-])cc3oc2-c2ccc([O-])cc2)C[C@@H](C)[C@H](OC(C)=O)[C@H]1O	ZINC000144488908	562836280	/nfs/dbraw/zinc/83/62/80/562836280.db2.gz	WADXCMSONJVPKX-LTBIHHBXSA-N	-3	3	514.483	2.588	1	0		KFAFHL
CC(=O)O[C@H]1[C@H](Oc2c(=O)c3c([O-])cc([O-])cc3oc2-c2ccc(O)cc2)C[C@@H](C)[C@H](OC(C)=O)[C@H]1O	ZINC000144488908	562836279	/nfs/dbraw/zinc/83/62/79/562836279.db2.gz	WADXCMSONJVPKX-LTBIHHBXSA-N	-2	3	514.483	2.588	1	0		KFAFHL
CC(=O)O[C@@H]1[C@@H](C)C[C@H](Oc2c(=O)c3c([O-])cc([O-])cc3oc2-c2ccc([O-])cc2)[C@@H](OC(C)=O)[C@H]1O	ZINC000144510255	562836296	/nfs/dbraw/zinc/83/62/96/562836296.db2.gz	WADXCMSONJVPKX-NWZCJRRASA-N	-3	3	514.483	2.588	1	0		KFAFHL
CC(=O)O[C@@H]1[C@@H](C)C[C@H](Oc2c(=O)c3c([O-])cc([O-])cc3oc2-c2ccc(O)cc2)[C@@H](OC(C)=O)[C@H]1O	ZINC000144510255	562836295	/nfs/dbraw/zinc/83/62/95/562836295.db2.gz	WADXCMSONJVPKX-NWZCJRRASA-N	-2	3	514.483	2.588	1	0		KFAFHL
CC(=O)O[C@@H]1[C@H](O)[C@@H](Oc2c(=O)c3c([O-])cc([O-])cc3oc2-c2ccc([O-])cc2)C[C@H](C)[C@H]1OC(C)=O	ZINC000144531517	562836332	/nfs/dbraw/zinc/83/63/32/562836332.db2.gz	LLFRXYFZGCTTDG-FIKJVCJOSA-N	-3	3	514.483	2.588	1	0		KFAFHL
CC(=O)O[C@@H]1[C@H](O)[C@@H](Oc2c(=O)c3c([O-])cc([O-])cc3oc2-c2ccc(O)cc2)C[C@H](C)[C@H]1OC(C)=O	ZINC000144531517	562836331	/nfs/dbraw/zinc/83/63/31/562836331.db2.gz	LLFRXYFZGCTTDG-FIKJVCJOSA-N	-2	3	514.483	2.588	1	0		KFAFHL
CC(=O)O[C@H]1[C@H](C)C[C@@H](Oc2c(=O)c3c([O-])cc([O-])cc3oc2-c2ccc([O-])cc2)[C@H](O)[C@@H]1OC(C)=O	ZINC000144531752	562836371	/nfs/dbraw/zinc/83/63/71/562836371.db2.gz	LLFRXYFZGCTTDG-OTGJNIAMSA-N	-3	3	514.483	2.588	1	0		KFAFHL
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