smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC[C@H]1CN(c2c(F)cc3c(=O)c(C(=O)[O-])c4scc5n4c3c2N(C)C5)CCO1	ZINC000003775616	132267871	/nfs/dbraw/zinc/26/78/71/132267871.db2.gz	QODLQMRVDCCJTB-LLVKDONJSA-N	-1	0	433.461	2.153	1	0		IEAFRM
CC[C@]1(N2C(=O)c3c(c(F)c(F)c(F)c3F)C2=O)C(=O)[N-]C(=O)N(c2ccccc2)C1=O	ZINC000001490927	535956149	/nfs/dbraw/zinc/95/61/49/535956149.db2.gz	VEOGKKIBNYROKA-FQEVSTJZSA-N	-1	0	449.316	2.271	1	0		IEAFRM
CC[C@@]1(OC(=O)CCC(=O)[O-])C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	ZINC000001611443	562923098	/nfs/dbraw/zinc/92/30/98/562923098.db2.gz	UESWSQRNVWIBPP-DEOSSOPVSA-N	-1	0	448.431	2.495	1	0		IEAFRM
C[C@]1(C(=O)N[C@@H](Cc2ccc(-n3ccn(Cc4ccccc4)c3=O)cc2)C(=O)[O-])CCCO1	ZINC000013442249	562986524	/nfs/dbraw/zinc/98/65/24/562986524.db2.gz	VARBGWCQRGTWAS-SQJMNOBHSA-N	-1	0	449.507	2.368	1	0		IEAFRM
Cc1cc(C)nc(O[C@H](C(=O)[O-])[C@@]2(c3ccccc3)NCC(=O)N(C)c3ccccc32)n1	ZINC000013561023	562994307	/nfs/dbraw/zinc/99/43/07/562994307.db2.gz	FINMPMBYTTVLPJ-QPPBQGQZSA-N	-1	0	432.480	2.435	1	0		IEAFRM
CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[NH2+][C@@H](CC(C)C)P(=O)([O-])[O-]	ZINC000013733551	563002155	/nfs/dbraw/zinc/00/21/55/563002155.db2.gz	WSAIKZWHQAFUEX-GBESFXJTSA-N	-1	0	441.509	2.014	1	0		IEAFRM
CCOC(=O)CCNC(=O)[C@@H](Cc1ccc(-c2ccccc2)cc1)NC[P@@](=O)([O-])O	ZINC000013734529	563002177	/nfs/dbraw/zinc/00/21/77/563002177.db2.gz	WVIZSLNWTBWTFE-LJQANCHMSA-N	-1	0	434.429	2.059	1	0		IEAFRM
C[C@@H]1COc2c(N3CCN(C(=O)c4ccco4)CC3)c(F)cc3c(=O)c(C(=O)[O-])cn1c32	ZINC000029128333	563075103	/nfs/dbraw/zinc/07/51/03/563075103.db2.gz	MPQYEOKPXPVCDR-GFCCVEGCSA-N	-1	0	441.415	2.348	1	0		IEAFRM
CN1CCN(c2c(F)cc3c(=O)c(C(=O)[O-])cn(N4C[C@@H]4c4ccccc4)c3c2F)CC1	ZINC000029252840	563077330	/nfs/dbraw/zinc/07/73/30/563077330.db2.gz	HFMRDDBZZFHXBD-KUFXBUICSA-N	-1	0	440.450	2.423	1	0		IEAFRM
O=C([O-])C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NCCc1ccc(F)cc1	ZINC000029312311	563077652	/nfs/dbraw/zinc/07/76/52/563077652.db2.gz	IVQBFAJHKAZKGE-FQEVSTJZSA-N	-1	0	444.484	2.459	1	0		IEAFRM
Nc1nc(-c2cccc(I)c2)c(I)c(=O)[n-]1	ZINC000029552872	563082030	/nfs/dbraw/zinc/08/20/30/563082030.db2.gz	VUPUOZQDFCHWCM-UHFFFAOYSA-N	-1	0	438.994	2.228	1	0		IEAFRM
CC(C)N(C(=O)CCNC(=O)C1=NO[C@H](C([O-])(C(F)(F)F)C(F)(F)F)C1)C(C)C	ZINC000035902126	563090381	/nfs/dbraw/zinc/09/03/81/563090381.db2.gz	MCEPSUNNZLCDNS-NSHDSACASA-N	-1	0	435.365	2.139	1	0		IEAFRM
COC(=O)C(Cc1ccc(NS(=O)(=O)[O-])cc1)(Cc1cccc(OC)c1)C(=O)OC	ZINC000036179171	563091652	/nfs/dbraw/zinc/09/16/52/563091652.db2.gz	QUDCIWWZPBQGSG-UHFFFAOYSA-N	-1	0	437.470	2.028	1	0		IEAFRM
O=C([O-])Cn1nnc(-c2cc(OCCCOc3cc(F)ccc3Br)no2)n1	ZINC000043200414	563119328	/nfs/dbraw/zinc/11/93/28/563119328.db2.gz	PDACCUWRIROUSQ-UHFFFAOYSA-N	-1	0	442.201	2.162	1	0		IEAFRM
C[C@@]1(C(=O)[N-]S(=O)(=O)C2CC2)CCN(C(=O)COc2ccc(Cl)cc2Cl)C1	ZINC000061895852	563147273	/nfs/dbraw/zinc/14/72/73/563147273.db2.gz	CMISRYWPCFDHSL-QGZVFWFLSA-N	-1	0	435.329	2.219	3	0		IEAFRM
COc1ccc(S(=O)(=O)[N-]C(=O)[C@@]2(C)CCN2C(=O)CCC2CCCC2)cc1OC	ZINC000061927899	563150256	/nfs/dbraw/zinc/15/02/56/563150256.db2.gz	RWPAEEDSUHNNKA-OAQYLSRUSA-N	-1	0	438.546	2.470	3	0		IEAFRM
C[C@]1(C(=O)[N-]S(=O)(=O)c2cccc(OC(F)F)c2)CCN1C(=O)Cc1ccsc1	ZINC000061930742	563150642	/nfs/dbraw/zinc/15/06/42/563150642.db2.gz	JVGFOBCYUCEWGI-GOSISDBHSA-N	-1	0	444.481	2.388	3	0		IEAFRM
CCOC(=O)[C@H](CCc1ccccc1)N[C@H](C)C(=O)N1C(=O)[C@H]2CCCC[C@H]2[C@H]1C(=O)[O-]	ZINC000036153341	581096032	/nfs/dbraw/zinc/09/60/32/581096032.db2.gz	NULRTLVWXFIIBM-LGKHCZOZSA-N	-1	0	444.528	2.157	1	0		IEAFRM
CNC(=O)CCCN1c2ccccc2O[C@@H](CCOc2ccccc2CC(=O)[O-])C1=O	ZINC000012358397	132340833	/nfs/dbraw/zinc/34/08/33/132340833.db2.gz	KKXBKNOVVHCOAM-FQEVSTJZSA-N	-1	0	426.469	2.403	1	0		IEAFRM
CCCNC(=O)CN1c2ccccc2O[C@@H](CCOc2ccccc2CC(=O)[O-])C1=O	ZINC000012358395	535071672	/nfs/dbraw/zinc/07/16/72/535071672.db2.gz	UHXBMLCSHRNMIX-FQEVSTJZSA-N	-1	0	426.469	2.403	1	0		IEAFRM
O=C(NCc1cccnc1)c1ccc2c(c1)[n-]c(=S)n(CCCN1CCCC1=O)c2=O	ZINC000002970731	562931366	/nfs/dbraw/zinc/93/13/66/562931366.db2.gz	WWAZLOFTSFURJF-UHFFFAOYSA-N	-1	0	437.525	2.023	1	0		IEAFRM
O=C([O-])CCC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc4c(c3)OCCO4)ccc21	ZINC000006578005	562948025	/nfs/dbraw/zinc/94/80/25/562948025.db2.gz	UVQFENVRRAERSI-UHFFFAOYSA-N	-1	0	432.454	2.013	3	0		IEAFRM
O=C([N-]C[C@H]1CN(c2ccc(C3CCS(=O)(=O)CC3)c(F)c2)C(=O)O1)C(F)(F)F	ZINC000011524793	562978879	/nfs/dbraw/zinc/97/88/79/562978879.db2.gz	LMQOHPPVAXMJNZ-LBPRGKRZSA-N	-1	0	438.399	2.122	1	0		IEAFRM
COc1ccccc1-c1ccc(C[C@H](NC(=O)[C@@H]2CSCN2C(C)=O)C(=O)[O-])cc1	ZINC000013436430	562985985	/nfs/dbraw/zinc/98/59/85/562985985.db2.gz	LPPNDFOQUKQERO-OALUTQOASA-N	-1	0	428.510	2.396	1	0		IEAFRM
CCOC(=O)CCNC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)NC[P@@](=O)([O-])O	ZINC000013734532	563002115	/nfs/dbraw/zinc/00/21/15/563002115.db2.gz	WVIZSLNWTBWTFE-IBGZPJMESA-N	-1	0	434.429	2.059	1	0		IEAFRM
O=C([O-])[C@@H](CCCCn1cnc2c1NC=NC[C@H]2O)C(=O)NCc1ccc(Cl)cc1	ZINC000013807808	563008625	/nfs/dbraw/zinc/00/86/25/563008625.db2.gz	CEZUBTIRYSPQFO-JKSUJKDBSA-N	-1	0	433.896	2.211	1	0		IEAFRM
COc1ccc(CNC(=O)c2cc3c(cn2)ncn(Cc2ccc(C(=O)[O-])cc2)c3=O)cc1	ZINC000013980195	563014183	/nfs/dbraw/zinc/01/41/83/563014183.db2.gz	YOFJHCFIKFPSLE-UHFFFAOYSA-N	-1	0	444.447	2.477	1	0		IEAFRM
O=C([O-])CN1C(=O)[C@@]2(CC(=O)N(Cc3cccc(F)c3F)C2=O)c2cc(Cl)ccc21	ZINC000014976668	563017007	/nfs/dbraw/zinc/01/70/07/563017007.db2.gz	NVRJDPGUPURMJE-HXUWFJFHSA-N	-1	0	434.782	2.246	1	0		IEAFRM
COc1cccc([C@H](CC(=O)[O-])NS(=O)(=O)c2ccc3c(c2)N(C(C)=O)C[C@H](C)O3)c1	ZINC000015936539	563018855	/nfs/dbraw/zinc/01/88/55/563018855.db2.gz	FAXHCUHRNHNNOJ-UGSOOPFHSA-N	-1	0	448.497	2.323	3	0		IEAFRM
COc1cccc([C@H](CC(=O)[O-])NS(=O)(=O)c2ccc3c(c2)N(C(C)=O)C[C@@H](C)O3)c1	ZINC000015936542	563018860	/nfs/dbraw/zinc/01/88/60/563018860.db2.gz	FAXHCUHRNHNNOJ-ACJLOTCBSA-N	-1	0	448.497	2.323	3	0		IEAFRM
CCCCCNC(=O)[C@H]([NH3+])Cc1ccc(N(C(=O)C(=O)[O-])c2ccccc2C(=O)[O-])cc1	ZINC000026188035	563029914	/nfs/dbraw/zinc/02/99/14/563029914.db2.gz	IVGIJUNTVQKKSX-GOSISDBHSA-N	-1	0	441.484	2.310	1	0		IEAFRM
CN(C(=O)[C@H](CCOc1ccc2c(c1)CN1CC(=O)N=C1N2)C(=O)[O-])C1CCCCC1	ZINC000026275795	563030547	/nfs/dbraw/zinc/03/05/47/563030547.db2.gz	KKINNZHENOWAFZ-KRWDZBQOSA-N	-1	0	428.489	2.071	1	0		IEAFRM
O=C([O-])CN(C(=O)CCCOc1ccc2c(c1)CN1CC(=O)N=C1N2)C1CCCCC1	ZINC000026944990	563038061	/nfs/dbraw/zinc/03/80/61/563038061.db2.gz	XDTLNLWXYZYNOW-UHFFFAOYSA-N	-1	0	428.489	2.215	1	0		IEAFRM
CC(C)C[C@@H](CSCC(=O)[O-])NC(=O)C1C(=O)CCN1C(=O)OCc1ccccc1	ZINC000028009701	563049597	/nfs/dbraw/zinc/04/95/97/563049597.db2.gz	ZLVZBQCDUHFVII-QFBILLFUSA-N	-1	0	436.530	2.315	1	0		IEAFRM
O=C([O-])C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)CF	ZINC000028261625	563052444	/nfs/dbraw/zinc/05/24/44/563052444.db2.gz	DTHNNQCAFDLUQX-MSOLQXFVSA-N	-1	0	430.432	2.022	1	0		IEAFRM
Nc1nc(=O)c(CCCCc2ccc(C(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])cc2)c(N)[nH]1	ZINC000040802368	563106941	/nfs/dbraw/zinc/10/69/41/563106941.db2.gz	SUZPRZQWFNIVPU-IBGZPJMESA-N	-1	0	449.511	2.338	1	0		IEAFRM
C[C@H]1COc2c(NCCCc3ccccn3)c(F)c(N)c3c(=O)c(-c4nnn[n-]4)cn1c23	ZINC000043203722	563119560	/nfs/dbraw/zinc/11/95/60/563119560.db2.gz	OGYDWTUATDVJEG-NSHDSACASA-N	-1	0	436.451	2.296	1	0		IEAFRM
Cn1cc(C(=O)[O-])c(=O)c2cc(N)c(N3CCN(c4cnc5ccccc5n4)CC3)cc21	ZINC000049576919	563138955	/nfs/dbraw/zinc/13/89/55/563138955.db2.gz	UVWHZQJYSHVHJG-UHFFFAOYSA-N	-1	0	430.468	2.089	1	0		IEAFRM
C[C@@]1(C(=O)[N-]S(=O)(=O)C2CC2)CCCN(C(=O)c2ccccc2OC(F)(F)F)C1	ZINC000061903675	563147985	/nfs/dbraw/zinc/14/79/85/563147985.db2.gz	HYJVRZUQAFDBJW-QGZVFWFLSA-N	-1	0	434.436	2.436	3	0		IEAFRM
C[C@]1(C(=O)[N-]S(=O)(=O)C2CC2)CCCN(C(=O)c2ccccc2OC(F)(F)F)C1	ZINC000061903674	563148019	/nfs/dbraw/zinc/14/80/19/563148019.db2.gz	HYJVRZUQAFDBJW-KRWDZBQOSA-N	-1	0	434.436	2.436	3	0		IEAFRM
Cc1c2c(cc(=O)n1Cc1ccc(S(N)(=O)=O)cc1)[n-]n(-c1ccccc1Cl)c2=O	ZINC000064447447	563153206	/nfs/dbraw/zinc/15/32/06/563153206.db2.gz	LKRBPTRAJWXRMQ-UHFFFAOYSA-N	-1	0	444.900	2.138	1	0		IEAFRM
O=C(NCc1ccc(F)cc1)c1nc2c3ccc(N4CCOCC4)cc3on2c(=O)c1[O-]	ZINC000064548930	563155563	/nfs/dbraw/zinc/15/55/63/563155563.db2.gz	NPBGLLZHVMYZEW-UHFFFAOYSA-N	-1	0	438.415	2.052	1	0		IEAFRM
O=C([O-])COc1ccc(Cl)cc1CN1CCN(S(=O)(=O)Cc2ccccc2)CC1	ZINC000066112372	563158990	/nfs/dbraw/zinc/15/89/90/563158990.db2.gz	JBBOMVFXXYZQQP-UHFFFAOYSA-N	-1	0	438.933	2.451	1	0		IEAFRM
O=C(NCc1cccc(F)c1)c1nc(N2CCCCS2(=O)=O)c2cccnc2c1[O-]	ZINC000073138574	563168803	/nfs/dbraw/zinc/16/88/03/563168803.db2.gz	UJZGPIDHHPUZMC-UHFFFAOYSA-N	-1	0	430.461	2.335	1	0		IEAFRM
Cc1c(NC(=S)Nc2ccc(C(=O)NCC(=O)[O-])cc2)c(=O)n(-c2ccccc2)n1C	ZINC000096928663	563198382	/nfs/dbraw/zinc/19/83/82/563198382.db2.gz	MNCKXWXPZRJWGW-UHFFFAOYSA-N	-1	0	439.497	2.108	1	0		IEAFRM
CCOC(=O)[C@@H](CCc1ccccc1)N[C@H](C)C(=O)N1C(=O)[C@@H]2CCCC[C@@H]2[C@@H]1C(=O)[O-]	ZINC000169295353	581096029	/nfs/dbraw/zinc/09/60/29/581096029.db2.gz	NULRTLVWXFIIBM-HKUYMTLNSA-N	-1	0	444.528	2.157	1	0		IEAFRM
CC[C@@]1(N2C(=O)c3c(c(F)c(F)c(F)c3F)C2=O)C(=O)[N-]C(=O)N(c2ccccc2)C1=O	ZINC000003989435	132268576	/nfs/dbraw/zinc/26/85/76/132268576.db2.gz	VEOGKKIBNYROKA-HXUWFJFHSA-N	-1	0	449.316	2.271	1	0		IEAFRM
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(Sc3nc(-c4ccc(C(N)=O)cc4)cs3)[C@H](C)[C@H]12	ZINC000003825031	562938905	/nfs/dbraw/zinc/93/89/05/562938905.db2.gz	VZUKANWTWZGYHS-HFOBELJZSA-N	-1	0	445.522	2.155	1	0		IEAFRM
CCOC(=O)N1CCN(C(=O)c2ccc3c(c2)[n-]c(=S)n(C[C@@H]2CCCO2)c3=O)CC1	ZINC000008659886	562960275	/nfs/dbraw/zinc/96/02/75/562960275.db2.gz	VXCGMIIJMWGVNH-HNNXBMFYSA-N	-1	0	446.529	2.152	1	0		IEAFRM
CC(C)[C@H](NC(=O)CN1CCc2c3cccc(C(=O)[O-])c3[nH]c2C1=O)C(=O)C(F)(F)F	ZINC000013740125	563003089	/nfs/dbraw/zinc/00/30/89/563003089.db2.gz	GDDHWJRVOJSAHA-AWEZNQCLSA-N	-1	0	439.390	2.137	1	0		IEAFRM
COC(=O)[C@@H]1[C@@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1OS(=O)(=O)[O-]	ZINC000013786320	563007071	/nfs/dbraw/zinc/00/70/71/563007071.db2.gz	XBZJQPNSUUABAM-UROMYXJWSA-N	-1	0	434.514	2.474	1	0		IEAFRM
O=C([O-])CN1C(=O)[C@]2(CC(=O)N(Cc3ccc(F)c(F)c3)C2=O)c2cc(Cl)ccc21	ZINC000014976688	563016989	/nfs/dbraw/zinc/01/69/89/563016989.db2.gz	PTFFTFCAJUGNCA-FQEVSTJZSA-N	-1	0	434.782	2.246	1	0		IEAFRM
O=C([O-])CN1C(=O)[C@@]2(CC(=O)N(Cc3cc(F)ccc3F)C2=O)c2cc(Cl)ccc21	ZINC000014976674	563016995	/nfs/dbraw/zinc/01/69/95/563016995.db2.gz	SWCNYWLKCRDUOM-HXUWFJFHSA-N	-1	0	434.782	2.246	1	0		IEAFRM
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(SCCNC(=O)c3ccc4ccccc4c3)[C@H](C)[C@H]12	ZINC000026493553	563032517	/nfs/dbraw/zinc/03/25/17/563032517.db2.gz	INNMLZNTPCRWQJ-XHSVMWQWSA-N	-1	0	440.521	2.457	1	0		IEAFRM
O=C([O-])[C@@H]1CCCN1C(=O)[C@@H]1CC([C@H](Cc2ccccc2)NC(=O)c2ccccc2)=NO1	ZINC000026672479	563035409	/nfs/dbraw/zinc/03/54/09/563035409.db2.gz	VBYRXWKUSXFHQE-JBACZVJFSA-N	-1	0	435.480	2.248	1	0		IEAFRM
CN(Cc1nc2ccccc2n1C)C(=O)c1ccc2c(c1)CN(C)C(=O)[C@H](CC(=O)[O-])N2	ZINC000026946108	563038055	/nfs/dbraw/zinc/03/80/55/563038055.db2.gz	BPWSYPSAGVVVNV-SFHVURJKSA-N	-1	0	435.484	2.073	1	0		IEAFRM
COc1cc(N)c(Cl)cc1C(=O)NC[C@@H]1CN(Cc2ccc(C(=O)[O-])cc2)CCO1	ZINC000027708288	563045532	/nfs/dbraw/zinc/04/55/32/563045532.db2.gz	ZQCPUKBNIDMQAR-OAHLLOKOSA-N	-1	0	433.892	2.260	1	0		IEAFRM
CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(C(=O)O[C@H](C)OC(C)=O)CC3)cc21	ZINC000027889171	563047984	/nfs/dbraw/zinc/04/79/84/563047984.db2.gz	CBVLYNWYKXAQDU-CYBMUJFWSA-N	-1	0	449.435	2.026	1	0		IEAFRM
O=C([O-])C[C@@H](NC(=O)[C@H](Cc1cccs1)NC(=O)OCc1ccccc1)C(=O)CF	ZINC000028262647	563052416	/nfs/dbraw/zinc/05/24/16/563052416.db2.gz	SHUHOTDRDJCOAN-CVEARBPZSA-N	-1	0	436.461	2.084	1	0		IEAFRM
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(c3cn4cnc(C(=O)c5cccs5)c4s3)[C@H](C)[C@H]12	ZINC000028640865	563060174	/nfs/dbraw/zinc/06/01/74/563060174.db2.gz	NYALNAUPUPWBCL-QGQFXCMDSA-N	-1	0	443.506	2.342	1	0		IEAFRM
O=C([O-])COc1c(Br)c(Br)sc1C(=O)N1CCOCC1	ZINC000028886941	563068152	/nfs/dbraw/zinc/06/81/52/563068152.db2.gz	WCVUPRMSGFAJMA-UHFFFAOYSA-N	-1	0	429.086	2.209	1	0		IEAFRM
CNC(=O)C1=CC[C@]23CC[C@H]([C@@]2(OC(C)=O)CC1)[C@@](C)(/C=C/C=C(\C)C(=O)[O-])OC3=O	ZINC000028966525	563070998	/nfs/dbraw/zinc/07/09/98/563070998.db2.gz	OWKSDQLDHNUPSK-YDRCMHEVSA-N	-1	0	431.485	2.444	1	0		IEAFRM
CC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)[C@@H](N)c3cc4cc(Cl)ccc4s3)[C@H]2SC1	ZINC000029559374	563082327	/nfs/dbraw/zinc/08/23/27/563082327.db2.gz	IWVLHDMJLRWKLA-GDZNZVCISA-N	-1	0	437.930	2.313	1	0		IEAFRM
O=C([O-])CN1C[C@H](c2ccsc2)SC[C@H]([NH2+][C@@H](CCc2ccccc2)C(=O)[O-])C1=O	ZINC000029571901	563083038	/nfs/dbraw/zinc/08/30/38/563083038.db2.gz	QOMSTJUDHMNZIH-OKZBNKHCSA-N	-1	0	448.566	2.493	1	0		IEAFRM
C[C@]12C=CC(=O)OC(C)(C)[C@@H]1CC(=O)[C@]1(C)[C@@H]2CC[C@@]2(C)[C@H](C(=O)[O-])OC(=O)[C@H]3O[C@@]312	ZINC000036389505	563095046	/nfs/dbraw/zinc/09/50/46/563095046.db2.gz	CJABBYCIRXVXNT-RBHMJGPYSA-N	-1	0	432.469	2.044	3	0		IEAFRM
CC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccc4cc(Cl)ccc4c3)[C@@H]2SC1	ZINC000040434061	563103630	/nfs/dbraw/zinc/10/36/30/563103630.db2.gz	HLNLVZGXLFKQFQ-CLCXKQKWSA-N	-1	0	431.901	2.252	1	0		IEAFRM
COc1ccc(CNC(=O)c2cc(-c3nnn(Cc4ccc(C(=O)[O-])cc4)n3)ccn2)cc1	ZINC000045364745	563132965	/nfs/dbraw/zinc/13/29/65/563132965.db2.gz	FTLHNHBANWSGDS-UHFFFAOYSA-N	-1	0	444.451	2.420	1	0		IEAFRM
O=c1c([O-])c(-c2nnc(Cc3ccc(F)cc3)s2)nc2ccc(N3CCOCC3)cn21	ZINC000064539991	563155172	/nfs/dbraw/zinc/15/51/72/563155172.db2.gz	QYEQAZMKUAVAQT-UHFFFAOYSA-N	-1	0	439.472	2.485	1	0		IEAFRM
O=C([O-])Cn1nnc(-c2cnc(N3C[C@@H]4C[C@H]3CN4c3cc(F)ccc3Cl)s2)n1	ZINC000073222578	563170677	/nfs/dbraw/zinc/17/06/77/563170677.db2.gz	HEZALYJTWXTLDU-QWRGUYRKSA-N	-1	0	435.872	2.141	1	0		IEAFRM
COc1cccc(C[C@H](O)/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2SCCCSCC(=O)[O-])c1	ZINC000013836440	563012303	/nfs/dbraw/zinc/01/23/03/563012303.db2.gz	FVUMVRZMKJTVOG-SXHXOKGWSA-N	-1	0	440.583	2.414	1	0		IEAFRM
O=C([O-])CN1C(=O)[C@@H]([NH2+][C@@H](CCc2ccccc2)C(=O)[O-])CSC[C@H]1c1cccs1	ZINC000026152764	563029051	/nfs/dbraw/zinc/02/90/51/563029051.db2.gz	DDZAWUSTAAZYBS-ULQDDVLXSA-N	-1	0	448.566	2.493	1	0		IEAFRM
O=C([O-])[C@@H]1CCCN1C(=O)[C@H]1CC([C@H](Cc2ccccc2)NC(=O)c2ccccc2)=NO1	ZINC000026671975	563035365	/nfs/dbraw/zinc/03/53/65/563035365.db2.gz	VBYRXWKUSXFHQE-SESVDKBCSA-N	-1	0	435.480	2.248	1	0		IEAFRM
CC1(C)S[C@@H]2[C@H](NC(=O)N/C=C/c3cccc(Br)c3)C(=O)N2[C@H]1C(=O)[O-]	ZINC000028254208	563052370	/nfs/dbraw/zinc/05/23/70/563052370.db2.gz	FPBVVDYMEATDRX-MEERCUOESA-N	-1	0	440.319	2.235	1	0		IEAFRM
O=C([O-])[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)c1cccc(Cn2ccnc2)c1	ZINC000028604284	563059675	/nfs/dbraw/zinc/05/96/75/563059675.db2.gz	IFUZFWPUVIVQDR-VXKWHMMOSA-N	-1	0	446.507	2.348	1	0		IEAFRM
Cc1cc(COc2ccc(S(=O)(=O)NCc3n[nH]c(=O)[n-]3)cc2)c2ccccc2n1	ZINC000028708253	563062257	/nfs/dbraw/zinc/06/22/57/563062257.db2.gz	GQLPTZZPKXZFQR-UHFFFAOYSA-N	-1	0	425.470	2.012	1	0		IEAFRM
CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3N2C[C@@H]2c2ccc(F)cc2)CC1	ZINC000029313039	563077588	/nfs/dbraw/zinc/07/75/88/563077588.db2.gz	YGILBIXGAHSGPX-QYWNIODHSA-N	-1	0	440.450	2.423	1	0		IEAFRM
CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3N2C[C@H]2c2ccc(F)cc2)CC1	ZINC000029313046	563077604	/nfs/dbraw/zinc/07/76/04/563077604.db2.gz	YGILBIXGAHSGPX-TYKNXJODSA-N	-1	0	440.450	2.423	1	0		IEAFRM
O=C([O-])CN1c2ccccc2CC[C@H]([NH2+][C@@H](CSCCc2ccccc2)C(=O)[O-])C1=O	ZINC000029339015	563078386	/nfs/dbraw/zinc/07/83/86/563078386.db2.gz	DHQXBKIHWXJRQL-OALUTQOASA-N	-1	0	442.537	2.438	1	0		IEAFRM
CC/C(=C(/CC)c1ccc(O[C@H]2O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]2O)cc1)c1ccc(O)cc1	ZINC000033753595	563084711	/nfs/dbraw/zinc/08/47/11/563084711.db2.gz	LJMPVHCKUXKZAV-VZVLDYGMSA-N	-1	0	444.480	2.394	1	0		IEAFRM
CC1(C)c2nc(C(=O)NCc3ccc(F)cc3)c([O-])c(=O)n2CCN1Cc1ccccn1	ZINC000036520082	563095723	/nfs/dbraw/zinc/09/57/23/563095723.db2.gz	VQKMITXYEKFPGK-UHFFFAOYSA-N	-1	0	437.475	2.164	1	0		IEAFRM
CC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)[C@H](N)c3csc4cc(Cl)ccc43)[C@@H]2SC1	ZINC000040434342	563103710	/nfs/dbraw/zinc/10/37/10/563103710.db2.gz	ZMOWOBXWTQPZDP-XNJGSVPQSA-N	-1	0	437.930	2.313	1	0		IEAFRM
CC(C)[C@@H](NS(=O)(=O)c1ccc2oc3cc(NS(C)(=O)=O)ccc3c2c1)C(=O)[O-]	ZINC000040913389	563111084	/nfs/dbraw/zinc/11/10/84/563111084.db2.gz	MFYWCBCSORYQGC-QGZVFWFLSA-N	-1	0	440.499	2.345	1	0		IEAFRM
C[C@@]1(C(=O)[N-]S(=O)(=O)C2CC2)CCCN(C(=O)c2cccc(OC(F)(F)F)c2)C1	ZINC000061908382	563148961	/nfs/dbraw/zinc/14/89/61/563148961.db2.gz	JKNNFHWWHCNHIO-QGZVFWFLSA-N	-1	0	434.436	2.436	3	0		IEAFRM
C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)N1Cc2nc3cc(Cl)ccn3c2C1)C(=O)[O-]	ZINC000071329054	563162296	/nfs/dbraw/zinc/16/22/96/563162296.db2.gz	CPYCKLJBTHKVRT-LIUKBUMOSA-N	-1	0	446.916	2.395	1	0		IEAFRM
CS(=O)(=O)c1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)[O-])n2Cc1ccnc(N)c1	ZINC000084616159	563174374	/nfs/dbraw/zinc/17/43/74/563174374.db2.gz	CCSFEICWIUUIIG-UHFFFAOYSA-N	-1	0	438.465	2.124	1	0		IEAFRM
CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(Cc4oc(=O)oc4C)CC3)cc21	ZINC000027741255	132225961	/nfs/dbraw/zinc/22/59/61/132225961.db2.gz	PLARREUCIWJWCL-UHFFFAOYSA-N	-1	0	431.420	2.036	1	0		IEAFRM
Nc1nc2c(cnn2CCc2ccccc2)c2nc(-c3ccc(OCC(=O)[O-])cc3)nn21	ZINC000013493991	562991007	/nfs/dbraw/zinc/99/10/07/562991007.db2.gz	GWKPSJVVEIUIBY-UHFFFAOYSA-N	-1	0	429.440	2.429	1	0		IEAFRM
O=C([O-])Cn1c(=O)c2cc(Br)ccc2n(Cc2ccc(F)c(F)c2)c1=O	ZINC000013649888	562999010	/nfs/dbraw/zinc/99/90/10/562999010.db2.gz	GQHNCALHRREUQN-UHFFFAOYSA-N	-1	0	425.185	2.337	1	0		IEAFRM
Cc1c(CC(=O)[O-])c2cc(F)ccc2n1S(=O)(=O)c1ccc(S(C)(=O)=O)cc1	ZINC000013673911	563000266	/nfs/dbraw/zinc/00/02/66/563000266.db2.gz	HKLGBZGYRPIFOH-UHFFFAOYSA-N	-1	0	425.459	2.356	1	0		IEAFRM
CC(C)[C@@H](NC(=O)CN1CCc2c3cccc(C(=O)[O-])c3[nH]c2C1=O)C(=O)C(F)(F)F	ZINC000013740124	563003085	/nfs/dbraw/zinc/00/30/85/563003085.db2.gz	GDDHWJRVOJSAHA-CQSZACIVSA-N	-1	0	439.390	2.137	1	0		IEAFRM
O=c1[n-]/c(=C\c2ccccc2)c(=O)[nH]/c1=C\c1ccc(OCCCc2cccnc2)cc1	ZINC000013817055	563009427	/nfs/dbraw/zinc/00/94/27/563009427.db2.gz	XBDXMQVPUVWOOK-KHFFFTKUSA-N	-1	0	425.488	2.127	1	0		IEAFRM
O=C([O-])CN1C(=O)[C@]2(CC(=O)N(Cc3c[nH]c4ccccc34)C2=O)c2cc(Cl)ccc21	ZINC000014976770	563017076	/nfs/dbraw/zinc/01/70/76/563017076.db2.gz	NXGGINSWMFMGAF-QFIPXVFZSA-N	-1	0	437.839	2.449	1	0		IEAFRM
O=C(CCC(=O)N1CCC[C@@H]1c1nnn[n-]1)[C@H](Cc1ccccc1)NC(=O)c1ccccc1	ZINC000026013043	563028515	/nfs/dbraw/zinc/02/85/15/563028515.db2.gz	XUVSXSUAQLBJIY-VQTJNVASSA-N	-1	0	446.511	2.254	1	0		IEAFRM
CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(-n2ncc(=O)[n-]c2=O)cc1Cl	ZINC000026021273	563028663	/nfs/dbraw/zinc/02/86/63/563028663.db2.gz	ZDCIBDBQJUKNBR-UHFFFAOYSA-N	-1	0	441.296	2.048	1	0		IEAFRM
NC(=O)[C@H](Cc1ccccc1)N[P@](=O)([O-])[C@@H](Cc1ccccc1)NC(=O)C(F)(F)F	ZINC000027728055	563046085	/nfs/dbraw/zinc/04/60/85/563046085.db2.gz	RTBALMSTNAERMH-HOTGVXAUSA-N	-1	0	443.362	2.105	1	0		IEAFRM
Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])cc1	ZINC000028358351	563053449	/nfs/dbraw/zinc/05/34/49/563053449.db2.gz	WKQZMKWOUOBQKD-IBGZPJMESA-N	-1	0	438.484	2.373	1	0		IEAFRM
O=C([O-])C[C@H](NS(=O)(=O)Cc1ccc2ccccc2c1)C(=O)NCCc1ccccc1	ZINC000029313900	563077608	/nfs/dbraw/zinc/07/76/08/563077608.db2.gz	JNWCOVVUDFYKHH-NRFANRHFSA-N	-1	0	440.521	2.461	1	0		IEAFRM
CC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccc4cc(Cl)ccc4c3)[C@H]2SC1	ZINC000040434060	563103582	/nfs/dbraw/zinc/10/35/82/563103582.db2.gz	HLNLVZGXLFKQFQ-SPYBWZPUSA-N	-1	0	431.901	2.252	1	0		IEAFRM
CC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)[C@H](N)c3csc4cc(Cl)ccc43)[C@H]2SC1	ZINC000040434340	563103663	/nfs/dbraw/zinc/10/36/63/563103663.db2.gz	ZMOWOBXWTQPZDP-PBFPGSCMSA-N	-1	0	437.930	2.313	1	0		IEAFRM
CCNC(=O)Nc1cn2c(cc(-c3ccn(CC(=O)[O-])c(=O)c3)cc2-c2ncc(C)cn2)n1	ZINC000045321218	563130198	/nfs/dbraw/zinc/13/01/98/563130198.db2.gz	HEIWWNZDLYGFJT-UHFFFAOYSA-N	-1	0	447.455	2.154	1	0		IEAFRM
COc1ccc(S(=O)(=O)[N-]C(=O)[C@@]2(C)CCN2C(=O)C(C)(C)c2ccccc2)cc1	ZINC000061907493	563148805	/nfs/dbraw/zinc/14/88/05/563148805.db2.gz	LYHXZCMWNWPOTJ-JOCHJYFZSA-N	-1	0	430.526	2.469	3	0		IEAFRM
CCOC(=O)[C@@H](CCc1ccccc1)N[C@@H](C)C(=O)N1C(=O)[C@H]2CCCC[C@H]2[C@H]1C(=O)[O-]	ZINC000036153330	581096006	/nfs/dbraw/zinc/09/60/06/581096006.db2.gz	NULRTLVWXFIIBM-ZMHJYQQXSA-N	-1	0	444.528	2.157	1	0		IEAFRM
CCOC(=O)[C@@H](CCc1ccccc1)N[C@@H](C)C(=O)N1C(=O)[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-]	ZINC000028097153	581096017	/nfs/dbraw/zinc/09/60/17/581096017.db2.gz	NULRTLVWXFIIBM-ABHMUUKNSA-N	-1	0	444.528	2.157	1	0		IEAFRM
CCOC(=O)[C@H](CCc1ccccc1)N[C@H](C)C(=O)N1C(=O)[C@@H]2CCCC[C@H]2[C@@H]1C(=O)[O-]	ZINC000261145712	581096043	/nfs/dbraw/zinc/09/60/43/581096043.db2.gz	NULRTLVWXFIIBM-RACLHMPKSA-N	-1	0	444.528	2.157	1	0		IEAFRM
CCOC(=O)[C@H](CCc1ccccc1)N[C@H](C)C(=O)N1C(=O)[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-]	ZINC000028097169	581096054	/nfs/dbraw/zinc/09/60/54/581096054.db2.gz	NULRTLVWXFIIBM-LFZDHENXSA-N	-1	0	444.528	2.157	1	0		IEAFRM
O=C([O-])c1ccccc1NC(=O)C1CCN(S(=O)(=O)c2cccc3nsnc32)CC1	ZINC000009677473	562975395	/nfs/dbraw/zinc/97/53/95/562975395.db2.gz	OVLDLYXSHWRBOY-UHFFFAOYSA-N	-1	0	446.510	2.429	3	0		IEAFRM
COc1ccccc1-c1ccc(C[C@H](NC(=O)[C@]2(C)CCCS2(=O)=O)C(=O)[O-])cc1	ZINC000013442236	562986526	/nfs/dbraw/zinc/98/65/26/562986526.db2.gz	HTKRKKLTEHJRRC-AVRDEDQJSA-N	-1	0	431.510	2.441	1	0		IEAFRM
CC[C@@]1(O)C(=O)OCc2c(=O)n3c(cc21)-c1nc2cc(F)c(F)cc2c(C(=O)[O-])c1C3	ZINC000013740630	563003140	/nfs/dbraw/zinc/00/31/40/563003140.db2.gz	PKRWFRHIMIZSGV-NRFANRHFSA-N	-1	0	428.347	2.056	1	0		IEAFRM
O=C(CCC(=O)N1CCC[C@H]1c1nnn[n-]1)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1	ZINC000026013037	563028500	/nfs/dbraw/zinc/02/85/00/563028500.db2.gz	XUVSXSUAQLBJIY-UXHICEINSA-N	-1	0	446.511	2.254	1	0		IEAFRM
CCCc1ccc(CCC(=O)c2c(O)cc(O[C@H](C[C@@H](O)CO)C(=O)[O-])cc2O)cc1O	ZINC000027424460	563042128	/nfs/dbraw/zinc/04/21/28/563042128.db2.gz	OUKZJCOFMACUOO-QVKFZJNVSA-N	-1	0	448.468	2.147	1	0		IEAFRM
O=C([O-])c1cn2c3c(cc(N4CCN(C(=O)C(F)(F)F)CC4)cc3c1=O)SCC2	ZINC000027524879	563043204	/nfs/dbraw/zinc/04/32/04/563043204.db2.gz	ZOABSWUTZJXIDT-UHFFFAOYSA-N	-1	0	427.404	2.016	1	0		IEAFRM
O=C([O-])c1cn2c3c(cc(F)c(N4CCN(C(=O)C(F)(F)F)CC4)c3SCC2)c1=O	ZINC000027526297	563043255	/nfs/dbraw/zinc/04/32/55/563043255.db2.gz	ZVWVWTLGIJAIGE-UHFFFAOYSA-N	-1	0	445.394	2.155	1	0		IEAFRM
CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(C(=O)O[C@@H](C)OC(C)=O)CC3)cc21	ZINC000027889164	563047986	/nfs/dbraw/zinc/04/79/86/563047986.db2.gz	CBVLYNWYKXAQDU-ZDUSSCGKSA-N	-1	0	449.435	2.026	1	0		IEAFRM
CC(C)C[C@@H](CSCC(=O)[O-])NC(=O)C1C(=O)CCN1C(=O)OCc1ccccc1	ZINC000028009711	563049571	/nfs/dbraw/zinc/04/95/71/563049571.db2.gz	ZLVZBQCDUHFVII-LPHOPBHVSA-N	-1	0	436.530	2.315	1	0		IEAFRM
CC(=O)N1CSC[C@@H]1C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)[O-]	ZINC000028109738	563050831	/nfs/dbraw/zinc/05/08/31/563050831.db2.gz	XSVWCUOLZFHGBK-VQTJNVASSA-N	-1	0	428.510	2.299	1	0		IEAFRM
CC1(C)S[C@@H]2[C@@H](NC(=O)N/C=C/c3cccc(Br)c3)C(=O)N2[C@H]1C(=O)[O-]	ZINC000028254197	563052362	/nfs/dbraw/zinc/05/23/62/563052362.db2.gz	FPBVVDYMEATDRX-MTEMLKJLSA-N	-1	0	440.319	2.235	1	0		IEAFRM
Cn1c(=O)c([O-])c(C(=O)NCc2ccc(F)cc2C(=O)N2CCCC2)nc1C(C)(C)C	ZINC000029047280	563072759	/nfs/dbraw/zinc/07/27/59/563072759.db2.gz	WAAXIFKLWWKGDC-UHFFFAOYSA-N	-1	0	430.480	2.089	1	0		IEAFRM
CC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)[C@@H](N)c3cc4cc(Cl)ccc4s3)[C@H]2SC1	ZINC000029559381	563082321	/nfs/dbraw/zinc/08/23/21/563082321.db2.gz	IWVLHDMJLRWKLA-OGHNNQOOSA-N	-1	0	437.930	2.313	1	0		IEAFRM
O=C([O-])CN1C(=O)[C@@H]([NH2+][C@@H](CCc2ccccc2)C(=O)[O-])CSC[C@H]1c1ccccc1	ZINC000029570160	563083050	/nfs/dbraw/zinc/08/30/50/563083050.db2.gz	HGENZIJEOCHEPV-UFYCRDLUSA-N	-1	0	442.537	2.432	1	0		IEAFRM
O=C([O-])CN1C[C@H](c2ccccc2)SC[C@H]([NH2+][C@@H](CCc2ccccc2)C(=O)[O-])C1=O	ZINC000029571414	563083060	/nfs/dbraw/zinc/08/30/60/563083060.db2.gz	RYEAECHOAWRETF-SLFFLAALSA-N	-1	0	442.537	2.432	1	0		IEAFRM
CC(C)=CCc1c([O-])n(Cc2ccc(F)cc2)c2nc3c(n2c1=O)C(=O)N(C)CN3C	ZINC000034168915	563085641	/nfs/dbraw/zinc/08/56/41/563085641.db2.gz	FBBFWQRKAYLJAK-UHFFFAOYSA-N	-1	0	425.464	2.377	1	0		IEAFRM
CC(C)(C)c1ocnc1/C=c1\[n-]c(=O)/c(=C/c2cccc(C(=O)c3ccccc3)c2)[nH]c1=O	ZINC000034872908	563088340	/nfs/dbraw/zinc/08/83/40/563088340.db2.gz	MIPMUZJVEZFSLM-NMGXZBPKSA-N	-1	0	441.487	2.237	1	0		IEAFRM
O=C([O-])[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)c1cccc(Cc2c[nH]cn2)c1	ZINC000035323650	563089796	/nfs/dbraw/zinc/08/97/96/563089796.db2.gz	OCCJYRVCPHFRFL-VXKWHMMOSA-N	-1	0	446.507	2.417	1	0		IEAFRM
CC1(C)c2nc(C(=O)NCc3ccc(F)cc3)c([O-])c(=O)n2CCN1Cc1cscn1	ZINC000036520089	563095688	/nfs/dbraw/zinc/09/56/88/563095688.db2.gz	ZSDBGBUACZIEEL-UHFFFAOYSA-N	-1	0	443.504	2.225	1	0		IEAFRM
CC(=O)N1C[C@@H](F)C[C@H]1c1nc(C(=O)NCc2ccc(C)c(Cl)c2)c([O-])c(=O)n1C	ZINC000058581917	563145064	/nfs/dbraw/zinc/14/50/64/563145064.db2.gz	OJSHOMJTWMYBRH-ZFWWWQNUSA-N	-1	0	436.871	2.009	1	0	in-vivo	IEAFRM
O=C([O-])C[C@H](NC(=O)OCc1ccccc1)C(=O)CONC(=O)CCc1ccccc1	ZINC000058583288	563145273	/nfs/dbraw/zinc/14/52/73/563145273.db2.gz	NRCIXOJRQMZJIV-SFHVURJKSA-N	-1	0	428.441	2.006	1	0		IEAFRM
COc1ccc(S(=O)(=O)[N-]C(=O)[C@]2(C)CCN2C(=O)CCC2CCCC2)cc1OC	ZINC000061927901	563150288	/nfs/dbraw/zinc/15/02/88/563150288.db2.gz	RWPAEEDSUHNNKA-NRFANRHFSA-N	-1	0	438.546	2.470	3	0		IEAFRM
O=C([O-])[C@@H]1CCCN1CC(=O)c1ccc2[nH]c3c4c(c5c(c3c2c1)C(=O)NC5=O)CCC4	ZINC000073277535	563171769	/nfs/dbraw/zinc/17/17/69/563171769.db2.gz	OZAZBQXCYMGZDD-INIZCTEOSA-N	-1	0	431.448	2.425	1	0		IEAFRM
CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1C(=O)[C@@H]2CCCC[C@@H]2[C@@H]1C(=O)[O-]	ZINC000169295352	581096060	/nfs/dbraw/zinc/09/60/60/581096060.db2.gz	NULRTLVWXFIIBM-MVBLQPKNSA-N	-1	0	444.528	2.157	1	0		IEAFRM
COc1ccc(-c2cc(=O)c3c(O)c([C@H]4C[C@@H](O)[C@H](O)[C@H](C)O4)c([O-])cc3o2)cc1O	ZINC000040873270	291334882	/nfs/dbraw/zinc/33/48/82/291334882.db2.gz	VOXHZFGNVVKUEG-NRGAKEJDSA-N	-1	0	430.409	2.157	1	0	biogenic,in-vitro	IEAFRM
C[C@@H]1CNC(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3)c(Cl)cc2[S-])=NN1	ZINC000004642511	562943462	/nfs/dbraw/zinc/94/34/62/562943462.db2.gz	SDBSNALROIGUQP-SNVBAGLBSA-N	-1	0	439.950	2.012	1	0		IEAFRM
COc1cnn(C)c(=O)c1-c1ccc(C[C@H](NC(=O)N2CCCC[C@H]2C)C(=O)[O-])cc1	ZINC000013704646	563001271	/nfs/dbraw/zinc/00/12/71/563001271.db2.gz	JVMSOORAPUAHHJ-PBHICJAKSA-N	-1	0	428.489	2.036	1	0		IEAFRM
O=C([O-])CN1C(=O)[C@@]2(CC(=O)N(Cc3c[nH]c4ccccc34)C2=O)c2cc(Cl)ccc21	ZINC000014976767	563017108	/nfs/dbraw/zinc/01/71/08/563017108.db2.gz	NXGGINSWMFMGAF-JOCHJYFZSA-N	-1	0	437.839	2.449	1	0		IEAFRM
CCCCCC[C@H](CC(=O)[O-])S(=O)(=O)N[C@@H](Cc1ccc(OC)cc1)C(=O)NC	ZINC000026393530	563031731	/nfs/dbraw/zinc/03/17/31/563031731.db2.gz	ASDFSRLSQAJCEU-MSOLQXFVSA-N	-1	0	428.551	2.085	1	0		IEAFRM
CCO[P@](=O)([O-])N[C@H](C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC)[C@@H](C)CC	ZINC000026643109	563034398	/nfs/dbraw/zinc/03/43/98/563034398.db2.gz	IHAZHCJWGLQJQS-VHSSKADRSA-N	-1	0	438.465	2.082	1	0	in-vivo	IEAFRM
CCCc1ccc(CCC(=O)c2c(O)cc(O[C@@H](C[C@@H](O)CO)C(=O)[O-])cc2O)cc1O	ZINC000027424455	563042109	/nfs/dbraw/zinc/04/21/09/563042109.db2.gz	OUKZJCOFMACUOO-VFNWGFHPSA-N	-1	0	448.468	2.147	1	0		IEAFRM
COc1cc2ccc(C(C)(C)C)nc2c(N(C)CCCNC(=O)N[C@@H](CO)C(=O)[O-])c1	ZINC000028639407	563059955	/nfs/dbraw/zinc/05/99/55/563059955.db2.gz	SKIUXPKLOAMSAF-INIZCTEOSA-N	-1	0	432.521	2.112	1	0		IEAFRM
Cn1cnnc1SC1CN(c2c(F)cc3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2F)C1	ZINC000028819206	563065142	/nfs/dbraw/zinc/06/51/42/563065142.db2.gz	MIWNTTHRICBSRI-UHFFFAOYSA-N	-1	0	433.440	2.422	1	0		IEAFRM
CC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)[C@@H](N)c3cc4cc(Cl)ccc4s3)[C@@H]2SC1	ZINC000029559377	563082332	/nfs/dbraw/zinc/08/23/32/563082332.db2.gz	IWVLHDMJLRWKLA-AHIWAGSCSA-N	-1	0	437.930	2.313	1	0		IEAFRM
COc1ccc(Cn2c3nc4c(n3c(=O)c(CC=C(C)C)c2[O-])C(=O)N(C)CN4C)cc1	ZINC000034168932	563085755	/nfs/dbraw/zinc/08/57/55/563085755.db2.gz	GVNSKUKJILXCFH-UHFFFAOYSA-N	-1	0	437.500	2.247	1	0		IEAFRM
COC(=O)C(Cc1ccc(NS(=O)(=O)[O-])cc1)(Cc1ccc(OC)cc1)C(=O)OC	ZINC000036179168	563091669	/nfs/dbraw/zinc/09/16/69/563091669.db2.gz	GPVHUOHSOMDLFA-UHFFFAOYSA-N	-1	0	437.470	2.028	1	0		IEAFRM
CC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccc4cccc(Cl)c4c3)[C@H]2SC1	ZINC000040434226	563103637	/nfs/dbraw/zinc/10/36/37/563103637.db2.gz	DOFARGWBIZFTGU-SPYBWZPUSA-N	-1	0	431.901	2.252	1	0		IEAFRM
CC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)[C@H](N)c3csc4ccc(Cl)cc43)[C@H]2SC1	ZINC000040434463	563103717	/nfs/dbraw/zinc/10/37/17/563103717.db2.gz	UZTZFVASHBYFNE-IIYDPXPESA-N	-1	0	437.930	2.313	1	0		IEAFRM
O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)CCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2	ZINC000040575455	563105222	/nfs/dbraw/zinc/10/52/22/563105222.db2.gz	VPYQHUUBNONLQI-UVLALUNPSA-N	-1	0	445.564	2.350	1	0		IEAFRM
COc1cc(Cc2cnc(N)nc2N)cc(OCCCC[C@@H]2SC(=O)[N-]C2=O)c1OC	ZINC000045229583	563125933	/nfs/dbraw/zinc/12/59/33/563125933.db2.gz	YSOXGQDMAQYTJU-HNNXBMFYSA-N	-1	0	447.517	2.150	1	0		IEAFRM
C[C@@H](O)c1cn(C2CCN(c3nc4c(cc3F)c(=O)c(C(=O)[O-])cn4C3CC3)CC2)nn1	ZINC000049068108	563137467	/nfs/dbraw/zinc/13/74/67/563137467.db2.gz	MEENAQZEWNMRAH-LLVKDONJSA-N	-1	0	442.451	2.055	1	0		IEAFRM
COc1cnn(-c2ccc(S(=O)(=O)N[C@@]3(C(=O)[O-])[C@H](C)[C@@H]3c3ccccc3)s2)c1	ZINC000071319453	563162264	/nfs/dbraw/zinc/16/22/64/563162264.db2.gz	DSLRBIQFKOUGKT-LLSQANQASA-N	-1	0	433.511	2.478	1	0		IEAFRM
O=C([O-])Cn1nnc(-c2cc(N3CCC(Oc4ccccc4C(F)(F)F)CC3)no2)n1	ZINC000095594576	563191124	/nfs/dbraw/zinc/19/11/24/563191124.db2.gz	FHZHLWFMXWYSSV-UHFFFAOYSA-N	-1	0	438.366	2.479	1	0		IEAFRM
O=C([O-])C[C@@H](NC(=O)c1ccc(CCC(=O)NC2=NCCCN2)s1)c1ccccc1	ZINC000096299881	563197390	/nfs/dbraw/zinc/19/73/90/563197390.db2.gz	VLJUFTHMYJULLF-MRXNPFEDSA-N	-1	0	428.514	2.092	1	0		IEAFRM
C[C@H]1CNC(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3)c(Cl)cc2[S-])=NN1	ZINC000004642512	562943478	/nfs/dbraw/zinc/94/34/78/562943478.db2.gz	SDBSNALROIGUQP-JTQLQIEISA-N	-1	0	439.950	2.012	1	0		IEAFRM
CCOC(=O)N1CCN(C(=O)c2ccc3c(c2)[n-]c(=S)n(C[C@H]2CCCO2)c3=O)CC1	ZINC000008659887	562960287	/nfs/dbraw/zinc/96/02/87/562960287.db2.gz	VXCGMIIJMWGVNH-OAHLLOKOSA-N	-1	0	446.529	2.152	1	0		IEAFRM
CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)N3CCC[C@H](C(=O)[O-])C3)c21	ZINC000009501453	562972386	/nfs/dbraw/zinc/97/23/86/562972386.db2.gz	RATOJEAAISSINU-LBPRGKRZSA-N	-1	0	445.335	2.234	3	0		IEAFRM
COc1cccc(OC)c1-c1ccc(C[C@H](NC(=O)[C@@]2(CCO)CCCO2)C(=O)[O-])cc1	ZINC000013442261	562986528	/nfs/dbraw/zinc/98/65/28/562986528.db2.gz	YOCCTHZQHRBDCH-UUOWRZLLSA-N	-1	0	443.496	2.414	1	0		IEAFRM
C[C@]12Cc3cnn(-c4ccccc4)c3C=C1CC[C@@H]1OC3(CC=C12)C(=O)[N-]C(=O)NC3=O	ZINC000013651642	562999264	/nfs/dbraw/zinc/99/92/64/562999264.db2.gz	AESWDEXOWUESBF-CVDCTZTESA-N	-1	0	430.464	2.432	1	0		IEAFRM
COc1cccc([C@@H](CC(=O)[O-])NS(=O)(=O)c2ccc3c(c2)N(C(C)=O)C[C@H](C)O3)c1	ZINC000015936538	563018862	/nfs/dbraw/zinc/01/88/62/563018862.db2.gz	FAXHCUHRNHNNOJ-SCLBCKFNSA-N	-1	0	448.497	2.323	3	0		IEAFRM
Cn1nnnc1C(/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])=C(\c1ccccc1)c1ccc(F)cc1	ZINC000026816692	563036710	/nfs/dbraw/zinc/03/67/10/563036710.db2.gz	DVWJMSNCSNYDDS-HPVXQPOBSA-N	-1	0	438.459	2.451	1	0		IEAFRM
CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1N=C(C(C)C)S[C@H]1C(=O)[O-]	ZINC000027518190	563042590	/nfs/dbraw/zinc/04/25/90/563042590.db2.gz	MWMUSAHOKBOHGL-QOKNQOGYSA-N	-1	0	435.546	2.485	1	0		IEAFRM
CC(C)C[C@H](C[P@](=O)([O-])CNC(=O)OCc1ccccc1)[C@@H](O)[NH2+][C@@H](C)C(=O)[O-]	ZINC000027879561	563047778	/nfs/dbraw/zinc/04/77/78/563047778.db2.gz	CGITWACPUYXSBM-USXIJHARSA-N	-1	0	430.438	2.184	1	0		IEAFRM
O=C([O-])[C@@H]1CCCN1C(=O)CCC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1ccccc1	ZINC000028095360	563050536	/nfs/dbraw/zinc/05/05/36/563050536.db2.gz	NDMBLCSBXANGDL-UXHICEINSA-N	-1	0	438.480	2.158	1	0		IEAFRM
O=C([O-])CCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c5ccccc5[nH]c4[C@@H]3C[C@@H]21	ZINC000028525246	563056693	/nfs/dbraw/zinc/05/66/93/563056693.db2.gz	ILZUPWALMALDJM-CJWRLGHKSA-N	-1	0	425.529	2.455	1	0		IEAFRM
C[C@H]1COc2c(N3CCN(C(=O)c4ccco4)CC3)c(F)cc3c(=O)c(C(=O)[O-])cn1c32	ZINC000029128334	563075114	/nfs/dbraw/zinc/07/51/14/563075114.db2.gz	MPQYEOKPXPVCDR-LBPRGKRZSA-N	-1	0	441.415	2.348	1	0		IEAFRM
CN1CCN(c2c(F)cc3c(=O)c(C(=O)[O-])cn(N4C[C@H]4c4ccccc4)c3c2F)CC1	ZINC000029252847	563077347	/nfs/dbraw/zinc/07/73/47/563077347.db2.gz	HFMRDDBZZFHXBD-BVFFRPSBSA-N	-1	0	440.450	2.423	1	0		IEAFRM
COc1ccc2c(c1)OC[C@H]([C@H](O)/C=C/[C@H]1[C@H](O)C[C@H]3C/C(=C\COCC(=O)[O-])C[C@H]31)O2	ZINC000029569485	563082935	/nfs/dbraw/zinc/08/29/35/563082935.db2.gz	SDDDJXPNYQPJCG-NXJAPQHGSA-N	-1	0	446.496	2.187	1	0		IEAFRM
COc1ccc2c(c1)OC[C@H]([C@H](O)/C=C/[C@H]1[C@H](O)C[C@H]3C/C(=C\COCC(=O)[O-])C[C@@H]31)O2	ZINC000029569491	563082949	/nfs/dbraw/zinc/08/29/49/563082949.db2.gz	SDDDJXPNYQPJCG-KAXBHELOSA-N	-1	0	446.496	2.187	1	0		IEAFRM
CC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)[C@H](N)c3csc4ccc(Cl)cc43)[C@@H]2SC1	ZINC000040434464	563103701	/nfs/dbraw/zinc/10/37/01/563103701.db2.gz	UZTZFVASHBYFNE-IGCXYCKISA-N	-1	0	437.930	2.313	1	0		IEAFRM
CC(C)C[C@H](C[P@](=O)([O-])CNC(=O)OCc1ccccc1)[C@H](O)[NH2+][C@@H](C)C(=O)[O-]	ZINC000040519765	563104404	/nfs/dbraw/zinc/10/44/04/563104404.db2.gz	CGITWACPUYXSBM-UAGQMJEPSA-N	-1	0	430.438	2.184	1	0		IEAFRM
C[C@]1(C(=O)[N-]S(=O)(=O)c2ccc(F)cc2F)CCN1C(=O)Cc1cc(F)ccc1F	ZINC000061925737	563149731	/nfs/dbraw/zinc/14/97/31/563149731.db2.gz	OQJRGJABPWDYJV-LJQANCHMSA-N	-1	0	444.406	2.282	3	0		IEAFRM
COc1ccc(S(=O)(=O)[N-]C(=O)[C@@]2(C)CCN2C(=O)C2(c3ccccc3)CC2)cc1	ZINC000061926520	563149975	/nfs/dbraw/zinc/14/99/75/563149975.db2.gz	NXAQSQUQCXQAKG-OAQYLSRUSA-N	-1	0	428.510	2.223	3	0		IEAFRM
CCC(CC)O[C@@H]1CC(C(=O)[O-])=C[C@H](n2cc(C3(O)CCCCC3)nn2)[C@H]1NC(C)=O	ZINC000064528089	563154798	/nfs/dbraw/zinc/15/47/98/563154798.db2.gz	XHTKXCNFHWZERT-NLWGTHIKSA-N	-1	0	434.537	2.464	1	0		IEAFRM
C[C@H]1O[C@@H](n2cc(F)c([N-]C(=O)Oc3ccc(Cl)cc3)nc2=O)[C@@H]2OC(=O)O[C@H]12	ZINC000084670107	563175110	/nfs/dbraw/zinc/17/51/10/563175110.db2.gz	SSWLKKAKXQEFRI-UBPLGANQSA-N	-1	0	425.756	2.468	1	0		IEAFRM
CCCn1cnc2c(ncn2[C@@H]2O[C@H](COC)[C@H](O[P@](C)(=O)[O-])[C@H]2OC)c1=S	ZINC000029550768	581095357	/nfs/dbraw/zinc/09/53/57/581095357.db2.gz	QKBWPTWGIDAGPF-CQROYNQRSA-N	-1	0	432.439	2.131	1	0		IEAFRM
CCOC(=O)[C@H](CCc1ccccc1)N[C@H](C)C(=O)N1C(=O)[C@@H]2CCCC[C@H]2[C@H]1C(=O)[O-]	ZINC000261145716	581095991	/nfs/dbraw/zinc/09/59/91/581095991.db2.gz	NULRTLVWXFIIBM-XLSIIYIISA-N	-1	0	444.528	2.157	1	0		IEAFRM
CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1C(=O)[C@H]2CCCC[C@H]2[C@H]1C(=O)[O-]	ZINC000036153334	581096011	/nfs/dbraw/zinc/09/60/11/581096011.db2.gz	NULRTLVWXFIIBM-ZDNSCYFHSA-N	-1	0	444.528	2.157	1	0		IEAFRM
CCOC(=O)[C@@H](CCc1ccccc1)N[C@@H](C)C(=O)N1C(=O)[C@@H]2CCCC[C@@H]2[C@@H]1C(=O)[O-]	ZINC000169295351	581096030	/nfs/dbraw/zinc/09/60/30/581096030.db2.gz	NULRTLVWXFIIBM-LFAQGZIKSA-N	-1	0	444.528	2.157	1	0		IEAFRM
CCOC(=O)[C@H](CCc1ccccc1)N[C@H](C)C(=O)N1C(=O)[C@@H]2CCCC[C@@H]2[C@@H]1C(=O)[O-]	ZINC000169295354	581096066	/nfs/dbraw/zinc/09/60/66/581096066.db2.gz	NULRTLVWXFIIBM-MTEHYEEQSA-N	-1	0	444.528	2.157	1	0		IEAFRM
CNC(=O)CCCN1c2ccccc2O[C@H](CCOc2ccccc2CC(=O)[O-])C1=O	ZINC000012358396	132340834	/nfs/dbraw/zinc/34/08/34/132340834.db2.gz	KKXBKNOVVHCOAM-HXUWFJFHSA-N	-1	0	426.469	2.403	1	0		IEAFRM
O=C([O-])CCC/C=C\C[C@@H]1[C@@H](OC[C@@H](O)COc2cccc(Cl)c2)[C@H](O)C[C@@H]1O	ZINC000003940958	562939607	/nfs/dbraw/zinc/93/96/07/562939607.db2.gz	HKIVGBPAUZBIOJ-MSKGSUGCSA-N	-1	0	428.909	2.408	1	0		IEAFRM
Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc2nsnc21	ZINC000008671679	562960940	/nfs/dbraw/zinc/96/09/40/562960940.db2.gz	HTJFNLPFRNMUPM-HNNXBMFYSA-N	-1	0	446.510	2.490	3	0		IEAFRM
COc1cnn(C)c(=O)c1-c1ccc(C[C@H](NC(=O)OCc2ccccc2)C(=O)[O-])cc1	ZINC000013704654	563001298	/nfs/dbraw/zinc/00/12/98/563001298.db2.gz	YNRFHLYLCWXFFX-SFHVURJKSA-N	-1	0	437.452	2.378	1	0		IEAFRM
O=C([O-])[C@@H](CCCCn1cnc2c1NC=NC[C@@H]2O)C(=O)NCc1ccc(Cl)cc1	ZINC000013807810	563008577	/nfs/dbraw/zinc/00/85/77/563008577.db2.gz	CEZUBTIRYSPQFO-HOTGVXAUSA-N	-1	0	433.896	2.211	1	0		IEAFRM
O=C([O-])[C@H](CCCCn1cnc2c1NC=NC[C@@H]2O)C(=O)NCc1ccc(Cl)cc1	ZINC000013807806	563008629	/nfs/dbraw/zinc/00/86/29/563008629.db2.gz	CEZUBTIRYSPQFO-CVEARBPZSA-N	-1	0	433.896	2.211	1	0		IEAFRM
O=C(CCC(=O)N1CCC[C@@H]1c1nnn[n-]1)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1	ZINC000026013029	563028495	/nfs/dbraw/zinc/02/84/95/563028495.db2.gz	XUVSXSUAQLBJIY-WOJBJXKFSA-N	-1	0	446.511	2.254	1	0		IEAFRM
[NH3+]CCC[C@H](O[P@](=O)([O-])CCCCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000026249742	563029971	/nfs/dbraw/zinc/02/99/71/563029971.db2.gz	ITNUZYYBHUXMIK-ROUUACIJSA-N	-1	0	426.450	2.394	1	0		IEAFRM
[NH3+]CCCC[C@H](O[P@](=O)([O-])CCCCc1cccnc1)C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000026251803	563030013	/nfs/dbraw/zinc/03/00/13/563030013.db2.gz	WTYROLQJELVKOU-ROUUACIJSA-N	-1	0	441.465	2.180	1	0		IEAFRM
CCO[P@](=O)([O-])N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC)[C@@H](C)CC	ZINC000026643100	563034370	/nfs/dbraw/zinc/03/43/70/563034370.db2.gz	IHAZHCJWGLQJQS-KKXDTOCCSA-N	-1	0	438.465	2.082	1	0	in-vivo	IEAFRM
Cc1cccc2[nH]c(CN(C)C(=O)c3ccc4c(c3)CN(C)C(=O)[C@H](CC(=O)[O-])N4)nc21	ZINC000026940556	563037985	/nfs/dbraw/zinc/03/79/85/563037985.db2.gz	RBDLXBRHTIJMGZ-SFHVURJKSA-N	-1	0	435.484	2.371	1	0		IEAFRM
COc1cc(N)c(Cl)cc1C(=O)NC[C@H]1CN(Cc2ccc(C(=O)[O-])cc2)CCO1	ZINC000027708291	563045571	/nfs/dbraw/zinc/04/55/71/563045571.db2.gz	ZQCPUKBNIDMQAR-HNNXBMFYSA-N	-1	0	433.892	2.260	1	0		IEAFRM
CC(C)C[C@H](CSCC(=O)[O-])NC(=O)C1C(=O)CCN1C(=O)OCc1ccccc1	ZINC000028009716	563049679	/nfs/dbraw/zinc/04/96/79/563049679.db2.gz	ZLVZBQCDUHFVII-APWZRJJASA-N	-1	0	436.530	2.315	1	0		IEAFRM
O=C([O-])[C@@H]1CCCN1C(=O)CCC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccccc1	ZINC000028095365	563050541	/nfs/dbraw/zinc/05/05/41/563050541.db2.gz	NDMBLCSBXANGDL-PMACEKPBSA-N	-1	0	438.480	2.158	1	0		IEAFRM
CCOCC[C@@]1(Oc2ccc(Oc3ccc(C(N)=O)cc3)cc2)C(=O)[N-]C(=O)NC1=O	ZINC000028975612	563071419	/nfs/dbraw/zinc/07/14/19/563071419.db2.gz	WBCJYTQOPPAPOU-UHFFFAOYSA-N	-1	0	427.413	2.328	1	0		IEAFRM
CC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)[C@@H](N)c3cc4cc(Cl)ccc4s3)[C@@H]2SC1	ZINC000029559370	563082290	/nfs/dbraw/zinc/08/22/90/563082290.db2.gz	IWVLHDMJLRWKLA-DCGLDWPTSA-N	-1	0	437.930	2.313	1	0		IEAFRM
CC(C)N(C(=O)CCNC(=O)C1=NO[C@@H](C([O-])(C(F)(F)F)C(F)(F)F)C1)C(C)C	ZINC000035902127	563090385	/nfs/dbraw/zinc/09/03/85/563090385.db2.gz	MCEPSUNNZLCDNS-LLVKDONJSA-N	-1	0	435.365	2.139	1	0		IEAFRM
O=C([O-])CCC/C=C\C[C@@H]1[C@@H](OC[C@H](O)COc2cccc(Cl)c2)[C@H](O)C[C@@H]1O	ZINC000040423223	563102600	/nfs/dbraw/zinc/10/26/00/563102600.db2.gz	HKIVGBPAUZBIOJ-DSZRGWOWSA-N	-1	0	428.909	2.408	1	0		IEAFRM
CC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)[C@H](N)c3ccc4cccc(Cl)c4c3)[C@H]2SC1	ZINC000040434230	563103639	/nfs/dbraw/zinc/10/36/39/563103639.db2.gz	DOFARGWBIZFTGU-ZRGWGRIASA-N	-1	0	431.901	2.252	1	0		IEAFRM
CC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)[C@H](N)c3csc4cc(Cl)ccc43)[C@H]2SC1	ZINC000040434344	563103690	/nfs/dbraw/zinc/10/36/90/563103690.db2.gz	ZMOWOBXWTQPZDP-IIYDPXPESA-N	-1	0	437.930	2.313	1	0		IEAFRM
COc1ccc(/C=C/C(=O)N[C@@H](CCC(=O)[O-])C(=O)NCc2ccccc2)cc1OC	ZINC000040951903	563114112	/nfs/dbraw/zinc/11/41/12/563114112.db2.gz	RYGCMELOLBEZLU-PEKVBPLLSA-N	-1	0	426.469	2.383	1	0		IEAFRM
Nc1nc2c(cnn2CCCc2ccc3c(c2)O[C@@H](C(=O)[O-])O3)c2nc(-c3ccco3)nn21	ZINC000045287558	563128492	/nfs/dbraw/zinc/12/84/92/563128492.db2.gz	AFOOOKGSRGDTCL-FQEVSTJZSA-N	-1	0	447.411	2.131	1	0		IEAFRM
Cc1ccc(F)c(S(=O)(=O)[N-]C(=O)[C@@]2(C)CCN2C(=O)Cc2cc(F)ccc2F)c1	ZINC000061897967	563147603	/nfs/dbraw/zinc/14/76/03/563147603.db2.gz	DTQFOHAQCCGXSS-HXUWFJFHSA-N	-1	0	440.443	2.451	3	0		IEAFRM
C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)N1CCn2c(nc3cc(F)ccc32)C1)C(=O)[O-]	ZINC000071296776	563161752	/nfs/dbraw/zinc/16/17/52/563161752.db2.gz	SHSGVWNTSAKSFC-DYHNYNMBSA-N	-1	0	444.488	2.082	1	0		IEAFRM
CCCn1cnc2c(ncn2[C@@H]2O[C@H](COC)[C@@H](O[P@](C)(=O)[O-])[C@H]2OC)c1=S	ZINC000096904212	581095366	/nfs/dbraw/zinc/09/53/66/581095366.db2.gz	QKBWPTWGIDAGPF-BPGGGUHBSA-N	-1	0	432.439	2.131	1	0		IEAFRM
O=C(Nc1ccccc1)c1cc(S(=O)(=O)N2CCNNC2=O)c([S-])cc1Cl	ZINC000001859524	562925005	/nfs/dbraw/zinc/92/50/05/562925005.db2.gz	WKGXCHCQCUECAQ-UHFFFAOYSA-N	-1	0	426.907	2.100	1	0		IEAFRM
CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)N3CCC[C@@H](C(=O)[O-])C3)c21	ZINC000009501457	562972394	/nfs/dbraw/zinc/97/23/94/562972394.db2.gz	RATOJEAAISSINU-GFCCVEGCSA-N	-1	0	445.335	2.234	3	0		IEAFRM
CCCCCNC(=O)[C@@H]([NH3+])Cc1ccc(N(C(=O)C(=O)[O-])c2ccccc2C(=O)[O-])cc1	ZINC000013519777	562991230	/nfs/dbraw/zinc/99/12/30/562991230.db2.gz	IVGIJUNTVQKKSX-SFHVURJKSA-N	-1	0	441.484	2.310	1	0		IEAFRM
O=C([O-])[C@H]1[C@@H](C(=O)[O-])[NH2+]CCN1C(=O)c1ccc(-c2ccccc2Br)cc1	ZINC000013642329	562998507	/nfs/dbraw/zinc/99/85/07/562998507.db2.gz	VIAYYCHNLYHTSB-JKSUJKDBSA-N	-1	0	433.258	2.068	1	0		IEAFRM
COc1ccc(C[C@H](O)/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2SCCCSCC(=O)[O-])cc1	ZINC000013836441	563012289	/nfs/dbraw/zinc/01/22/89/563012289.db2.gz	AZYKMZOJGGSIIB-DXWQYRMGSA-N	-1	0	440.583	2.414	1	0		IEAFRM
COc1ccc(CN2C(=O)C[C@@]3(C(=O)N(CC(=O)[O-])c4ccc(Cl)cc43)C2=O)cc1F	ZINC000014976716	563016988	/nfs/dbraw/zinc/01/69/88/563016988.db2.gz	GKGDSCNLTJTSRM-OAQYLSRUSA-N	-1	0	446.818	2.116	1	0		IEAFRM
O=C(CCC(=O)N1CCC[C@H]1c1nnn[n-]1)[C@H](Cc1ccccc1)NC(=O)c1ccccc1	ZINC000026013051	563028468	/nfs/dbraw/zinc/02/84/68/563028468.db2.gz	XUVSXSUAQLBJIY-PMACEKPBSA-N	-1	0	446.511	2.254	1	0		IEAFRM
CC[C@H](O)[C@@H]1C(=O)N2C(C(=O)[O-])=C(S[C@@H]3CCN(CC(=O)c4ccccc4)C3)S[C@H]12	ZINC000026247653	563029989	/nfs/dbraw/zinc/02/99/89/563029989.db2.gz	RLWLWORYFZGMQS-QHHYFVSCSA-N	-1	0	448.566	2.233	1	0		IEAFRM
N[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(Sc3cccs3)CC[C@H]12)c1ccccc1	ZINC000026295913	563031011	/nfs/dbraw/zinc/03/10/11/563031011.db2.gz	FFCYZYKFZYHCDI-WQVCFCJDSA-N	-1	0	429.523	2.326	1	0		IEAFRM
CC(C)(C)OC(=O)N[C@@H](CCC(=O)N1C(=O)SC[C@H]1C(=O)[O-])C(=O)OC(C)(C)C	ZINC000027525306	563043173	/nfs/dbraw/zinc/04/31/73/563043173.db2.gz	OPUYSJWFSVYOFA-QWRGUYRKSA-N	-1	0	432.495	2.150	1	0		IEAFRM
O=S(=O)([N-]S(=O)(=O)N1CCc2cc(Cl)ccc21)N1CCc2cc(Cl)ccc21	ZINC000028244229	563052061	/nfs/dbraw/zinc/05/20/61/563052061.db2.gz	UXEQWMGBNPOYCU-UHFFFAOYSA-N	-1	0	448.353	2.498	1	0		IEAFRM
O=C([O-])C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)CF	ZINC000028261629	563052454	/nfs/dbraw/zinc/05/24/54/563052454.db2.gz	DTHNNQCAFDLUQX-ROUUACIJSA-N	-1	0	430.432	2.022	1	0		IEAFRM
COc1c(N2CCN(C)CC2)c(F)cc2c(=O)c(C(=O)[O-])cn(-c3ccc(O)cc3)c21	ZINC000028456848	563054752	/nfs/dbraw/zinc/05/47/52/563054752.db2.gz	BGERUPJMWXMVEG-UHFFFAOYSA-N	-1	0	427.432	2.294	1	0		IEAFRM
O=C1[N-]C(=O)C2(CCCN2c2ccc(Oc3ccc(Br)cc3)nc2)C(=O)N1	ZINC000028960399	563070678	/nfs/dbraw/zinc/07/06/78/563070678.db2.gz	CWOIBYBXJSRSGT-UHFFFAOYSA-N	-1	0	431.246	2.341	1	0		IEAFRM
COC(=O)c1csc2sc(SC3=C(C(=O)[O-])N4C(=O)[C@H]([C@@H](C)O)[C@H]4[C@H]3C)nc12	ZINC000029218540	563076823	/nfs/dbraw/zinc/07/68/23/563076823.db2.gz	DJQLDMFMEIRQPF-LTNPLRIYSA-N	-1	0	440.524	2.390	1	0		IEAFRM
CN1CN(C)C(=O)c2c1nc1n2c(=O)c(Cc2ccccc2)c([O-])n1Cc1ccccc1	ZINC000034168919	563085764	/nfs/dbraw/zinc/08/57/64/563085764.db2.gz	LJGMAQCGTVMPEW-UHFFFAOYSA-N	-1	0	429.480	2.320	1	0		IEAFRM
CC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccc4cccc(Cl)c4c3)[C@@H]2SC1	ZINC000040434228	563103618	/nfs/dbraw/zinc/10/36/18/563103618.db2.gz	DOFARGWBIZFTGU-CLCXKQKWSA-N	-1	0	431.901	2.252	1	0		IEAFRM
CC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)[C@H](N)c3csc4ccc(Cl)cc43)[C@@H]2SC1	ZINC000040434461	563103708	/nfs/dbraw/zinc/10/37/08/563103708.db2.gz	UZTZFVASHBYFNE-XNJGSVPQSA-N	-1	0	437.930	2.313	1	0		IEAFRM
Nc1cc(Cn2c3ccc(Cl)cc3c(N3CCCNS3(=O)=O)c2C(=O)[O-])ccn1	ZINC000043204835	563119568	/nfs/dbraw/zinc/11/95/68/563119568.db2.gz	REXSJPCINJATSM-UHFFFAOYSA-N	-1	0	435.893	2.063	1	0		IEAFRM
COc1cc(Cc2cnc(N)nc2N)cc(OCCCC[C@H]2SC(=O)[N-]C2=O)c1OC	ZINC000045229579	563125940	/nfs/dbraw/zinc/12/59/40/563125940.db2.gz	YSOXGQDMAQYTJU-OAHLLOKOSA-N	-1	0	447.517	2.150	1	0		IEAFRM
C[C@@]1(C(=O)[N-]S(=O)(=O)c2cccc(F)c2)CCN1C(=O)Cc1cc(F)ccc1F	ZINC000061902425	563147776	/nfs/dbraw/zinc/14/77/76/563147776.db2.gz	PRLMHFQKFOLITQ-IBGZPJMESA-N	-1	0	426.416	2.143	3	0		IEAFRM
COc1ccc(S(=O)(=O)[N-]C(=O)[C@]2(C)CCN2C(=O)C2(c3ccccc3)CC2)cc1	ZINC000061926521	563149988	/nfs/dbraw/zinc/14/99/88/563149988.db2.gz	NXAQSQUQCXQAKG-NRFANRHFSA-N	-1	0	428.510	2.223	3	0		IEAFRM
C[C@]1(C(=O)[N-]S(=O)(=O)c2cccc(OC(F)F)c2)CCN1C(=O)Cc1cccs1	ZINC000061930444	563150671	/nfs/dbraw/zinc/15/06/71/563150671.db2.gz	OXCFYTJLRSWJIX-GOSISDBHSA-N	-1	0	444.481	2.388	3	0		IEAFRM
C[C@@]1(C(=O)[N-]S(=O)(=O)c2cccc(OC(F)F)c2)CCN1C(=O)Cc1ccsc1	ZINC000061930743	563150698	/nfs/dbraw/zinc/15/06/98/563150698.db2.gz	JVGFOBCYUCEWGI-SFHVURJKSA-N	-1	0	444.481	2.388	3	0		IEAFRM
CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)C(=O)[O-]	ZINC000071294984	563161623	/nfs/dbraw/zinc/16/16/23/563161623.db2.gz	RLSJRQZUMWXZTK-INIZCTEOSA-N	-1	0	446.504	2.120	1	0		IEAFRM
C[C@@H]1C(=O)N(Cc2ccc(OCCN3CCOCC3)cc2)[C@]1(Cc1ccccc1)C(=O)[O-]	ZINC000072118221	563163739	/nfs/dbraw/zinc/16/37/39/563163739.db2.gz	INQONUZORXTJKZ-CLOONOSVSA-N	-1	0	438.524	2.442	1	0		IEAFRM
O=C(NCc1cc(F)cc(F)c1)c1nc(N2CCCCS2(=O)=O)c2cccnc2c1[O-]	ZINC000073138808	563168799	/nfs/dbraw/zinc/16/87/99/563168799.db2.gz	JZKDDDMAINETJS-UHFFFAOYSA-N	-1	0	448.451	2.474	1	0		IEAFRM
CN1C(=O)N(Cc2cc(F)ccc2F)C(=O)[C@@]12C(=O)N(CC(=O)[O-])c1ccc(Cl)cc12	ZINC000084711063	563177418	/nfs/dbraw/zinc/17/74/18/563177418.db2.gz	YVLCOFIFKUMSFF-HXUWFJFHSA-N	-1	0	449.797	2.339	1	0		IEAFRM
COc1c2c(cc3c1[C@H]1C(=O)OC[C@H]1[C@H](C(=O)[O-])[C@@H]3c1ccc3c(c1)OCO3)OCO2	ZINC000095560105	563182150	/nfs/dbraw/zinc/18/21/50/563182150.db2.gz	UYBJDOFSDIOTMS-OJNRCAJQSA-N	-1	0	426.377	2.256	1	0		IEAFRM
CN(C)C(=O)C(F)(F)[C@H](c1ccc(C(F)(F)F)cc1)c1c([O-])n(C)c(=O)n(C)c1=O	ZINC000001654932	562924003	/nfs/dbraw/zinc/92/40/03/562924003.db2.gz	UJHMTYAZLDVNIW-GFCCVEGCSA-N	-1	0	435.349	2.179	1	0		IEAFRM
COc1ccccc1-c1ccc(C[C@H](NC(=O)[C@H]2CSCN2C(C)=O)C(=O)[O-])cc1	ZINC000013436440	562985999	/nfs/dbraw/zinc/98/59/99/562985999.db2.gz	LPPNDFOQUKQERO-RBUKOAKNSA-N	-1	0	428.510	2.396	1	0		IEAFRM
NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)c(Cl)c1	ZINC000013835299	563012170	/nfs/dbraw/zinc/01/21/70/563012170.db2.gz	PFHNCAAEZAYDFA-UHFFFAOYSA-N	-1	0	436.767	2.484	1	0		IEAFRM
O=C([O-])CN1C(=O)[C@]2(CC(=O)N(Cc3cc(F)ccc3F)C2=O)c2cc(Cl)ccc21	ZINC000014976677	563016981	/nfs/dbraw/zinc/01/69/81/563016981.db2.gz	SWCNYWLKCRDUOM-FQEVSTJZSA-N	-1	0	434.782	2.246	1	0		IEAFRM
O=C([O-])CN1C(=O)[C@@]2(CC(=O)N(Cc3ccc(F)c(F)c3)C2=O)c2cc(Cl)ccc21	ZINC000014976686	563016982	/nfs/dbraw/zinc/01/69/82/563016982.db2.gz	PTFFTFCAJUGNCA-HXUWFJFHSA-N	-1	0	434.782	2.246	1	0		IEAFRM
O=C([O-])CN1C(=O)[C@]2(CC(=O)N(Cc3cccc(F)c3F)C2=O)c2cc(Cl)ccc21	ZINC000014976671	563016983	/nfs/dbraw/zinc/01/69/83/563016983.db2.gz	NVRJDPGUPURMJE-FQEVSTJZSA-N	-1	0	434.782	2.246	1	0		IEAFRM
COc1cc(C[C@@H]2COC(=O)C2=C([O-])c2cc(OC)c(O)c(OC)c2)cc2c1OCO2	ZINC000015272087	563017760	/nfs/dbraw/zinc/01/77/60/563017760.db2.gz	SBFWGSQTPPNJCO-FZKQIMNGSA-N	-1	0	430.409	2.361	1	0		IEAFRM
O=C([O-])[C@H](Cc1ccc(N2CCCC2=O)cc1)NC(=O)[C@@H]1CCC(=O)N1Cc1ccccc1	ZINC000027321431	563041527	/nfs/dbraw/zinc/04/15/27/563041527.db2.gz	BUGHUSKVWNVUCW-SFTDATJTSA-N	-1	0	449.507	2.117	1	0		IEAFRM
CC1(C)S[C@H]2[C@H](NC(=O)N/C=C/c3cccc(Br)c3)C(=O)N2[C@H]1C(=O)[O-]	ZINC000028254214	563052356	/nfs/dbraw/zinc/05/23/56/563052356.db2.gz	FPBVVDYMEATDRX-QLSWNYBOSA-N	-1	0	440.319	2.235	1	0		IEAFRM
O=C([O-])CCCNC(=O)[C@@H]1[C@@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O	ZINC000028525247	563056655	/nfs/dbraw/zinc/05/66/55/563056655.db2.gz	ILZUPWALMALDJM-STHNKMCASA-N	-1	0	425.529	2.455	1	0		IEAFRM
Cc1cnc(CN2CCn3c(=O)c([O-])c(C(=O)NCc4ccc(F)cc4)nc3C2(C)C)o1	ZINC000036518655	563095704	/nfs/dbraw/zinc/09/57/04/563095704.db2.gz	HOESTEKERCFAPI-UHFFFAOYSA-N	-1	0	441.463	2.065	1	0		IEAFRM
COc1ccccc1-n1c(-c2ccc(C(=O)[O-])cc2)cn2c1nc1c2c(=O)[nH]c(=O)n1C	ZINC000045300212	563129032	/nfs/dbraw/zinc/12/90/32/563129032.db2.gz	XLMNCLSIGDJNBQ-UHFFFAOYSA-N	-1	0	431.408	2.039	1	0		IEAFRM
COc1cc(C(=O)N[C@H](CCC(=O)[O-])C(=O)Nc2ccc(F)cc2)cc(OC)c1OC	ZINC000045506046	563134811	/nfs/dbraw/zinc/13/48/11/563134811.db2.gz	AASDOETWBYSNMM-OAHLLOKOSA-N	-1	0	434.420	2.453	1	0		IEAFRM
O=C(NCc1cccn2c(=O)c([O-])c(C(=O)NCc3ccc(F)cc3)nc12)c1ccccc1	ZINC000045505929	563134820	/nfs/dbraw/zinc/13/48/20/563134820.db2.gz	WWPKBJCPIBCDLA-UHFFFAOYSA-N	-1	0	446.438	2.399	1	0		IEAFRM
COc1ccc(S(=O)(=O)[N-]C(=O)[C@]2(C)CCN2C(=O)C(C)(C)c2ccccc2)cc1	ZINC000061907494	563148819	/nfs/dbraw/zinc/14/88/19/563148819.db2.gz	LYHXZCMWNWPOTJ-QFIPXVFZSA-N	-1	0	430.526	2.469	3	0		IEAFRM
CCOC(=O)[C@@H](CCc1ccccc1)N[C@H](C)C(=O)N1C(=O)[C@H]2CCCC[C@H]2[C@H]1C(=O)[O-]	ZINC000036153338	581096036	/nfs/dbraw/zinc/09/60/36/581096036.db2.gz	NULRTLVWXFIIBM-PKOFMYQESA-N	-1	0	444.528	2.157	1	0		IEAFRM
O=C([O-])C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NCCc1ccccc1	ZINC000001536591	562922535	/nfs/dbraw/zinc/92/25/35/562922535.db2.gz	VMYREBYTVVSDDK-FQEVSTJZSA-N	-1	0	426.494	2.320	1	0	investigational	IEAFRM
CSc1ccc(-n2nnc(-c3ccc(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)cc3)n2)cc1	ZINC000001896200	562925323	/nfs/dbraw/zinc/92/53/23/562925323.db2.gz	CTGTUEAFFDISNJ-QGZVFWFLSA-N	-1	0	447.542	2.439	1	0		IEAFRM
O=C1O[C@@H](C[N-]C(=S)C(F)F)CN1c1ccc(N2C=CS(=O)(=O)CC2)c(F)c1	ZINC000003986752	562940408	/nfs/dbraw/zinc/94/04/08/562940408.db2.gz	UXFJGBGEUPRHQH-NSHDSACASA-N	-1	0	435.449	2.039	1	0		IEAFRM
Nc1nc2c(cnn2CCCc2ccc3c(c2)O[C@H](C(=O)[O-])O3)c2nc(-c3ccco3)nn21	ZINC000013471760	562987860	/nfs/dbraw/zinc/98/78/60/562987860.db2.gz	AFOOOKGSRGDTCL-HXUWFJFHSA-N	-1	0	447.411	2.131	1	0		IEAFRM
Nc1nc2c(cnn2CCCc2ccc(S(=O)(=O)[O-])cc2)c2nc(-c3ccco3)nn21	ZINC000013471753	562987892	/nfs/dbraw/zinc/98/78/92/562987892.db2.gz	QTZKVEDESUEFBV-UHFFFAOYSA-N	-1	0	439.457	2.196	1	0		IEAFRM
COc1ccc(CN2C(=O)C[C@]3(C(=O)N(CC(=O)[O-])c4ccc(Cl)cc43)C2=O)cc1F	ZINC000014976714	563016991	/nfs/dbraw/zinc/01/69/91/563016991.db2.gz	GKGDSCNLTJTSRM-NRFANRHFSA-N	-1	0	446.818	2.116	1	0		IEAFRM
O=C([O-])CN1C(=O)[C@@]2(CC(=O)N(Cc3cc(F)cc(F)c3)C2=O)c2cc(Cl)ccc21	ZINC000014976680	563016993	/nfs/dbraw/zinc/01/69/93/563016993.db2.gz	NPZVEIRNQWICMX-HXUWFJFHSA-N	-1	0	434.782	2.246	1	0		IEAFRM
O=C([O-])CN1C(=O)[C@@H]([NH2+][C@@H](CCc2ccccc2)C(=O)[O-])CSC[C@@H]1c1ccccc1	ZINC000026157766	563029134	/nfs/dbraw/zinc/02/91/34/563029134.db2.gz	HGENZIJEOCHEPV-SLFFLAALSA-N	-1	0	442.537	2.432	1	0		IEAFRM
[NH3+]CCCC[C@H](O[P@](=O)([O-])CCCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000026249221	563029946	/nfs/dbraw/zinc/02/99/46/563029946.db2.gz	GMRVUZRLSFXTKV-ROUUACIJSA-N	-1	0	426.450	2.394	1	0		IEAFRM
CN(C(=O)[C@@H](CCOc1ccc2c(c1)CN1CC(=O)N=C1N2)C(=O)[O-])C1CCCCC1	ZINC000026275789	563030538	/nfs/dbraw/zinc/03/05/38/563030538.db2.gz	KKINNZHENOWAFZ-QGZVFWFLSA-N	-1	0	428.489	2.071	1	0		IEAFRM
O=C([O-])C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NCCc1ccccc1	ZINC000029311899	563077570	/nfs/dbraw/zinc/07/75/70/563077570.db2.gz	VMYREBYTVVSDDK-HXUWFJFHSA-N	-1	0	426.494	2.320	1	0		IEAFRM
O=C([O-])C[C@H](NS(=O)(=O)c1cccc2ccccc21)C(=O)NCCc1ccccc1	ZINC000029325079	563078024	/nfs/dbraw/zinc/07/80/24/563078024.db2.gz	RSPBFQNFFSSZFQ-IBGZPJMESA-N	-1	0	426.494	2.320	1	0		IEAFRM
CCOC(=O)[C@H](COCc1ccccc1)N[C@H]1CCc2ccccc2N(CC(=O)[O-])C1=O	ZINC000029341620	563078479	/nfs/dbraw/zinc/07/84/79/563078479.db2.gz	YAVUFYQECTUCKD-PMACEKPBSA-N	-1	0	440.496	2.157	1	0		IEAFRM
Cc1cc(CN2CCn3c(=O)c([O-])c(C(=O)NCc4ccc(F)cc4)nc3C2(C)C)on1	ZINC000036520157	563095821	/nfs/dbraw/zinc/09/58/21/563095821.db2.gz	HQRFQEVXZILSAU-UHFFFAOYSA-N	-1	0	441.463	2.065	1	0		IEAFRM
CCOC(=O)c1sc([N-]c2nccc(NCc3ccc(S(N)(=O)=O)cc3)n2)nc1C	ZINC000040404772	563101197	/nfs/dbraw/zinc/10/11/97/563101197.db2.gz	FRQXJRYOEOHNKP-UHFFFAOYSA-N	-1	0	448.530	2.421	1	0		IEAFRM
CC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)[C@H](N)c3ccc4cc(Cl)ccc4c3)[C@@H]2SC1	ZINC000040434065	563103607	/nfs/dbraw/zinc/10/36/07/563103607.db2.gz	HLNLVZGXLFKQFQ-VCBZYWHSSA-N	-1	0	431.901	2.252	1	0		IEAFRM
O=c1cc(-c2ccc(OCCOCCOCCOCCO)cc2)oc2cc([O-])cc(O)c12	ZINC000040575960	563105311	/nfs/dbraw/zinc/10/53/11/563105311.db2.gz	ABXBXUMWMCFDDG-UHFFFAOYSA-N	-1	0	446.452	2.292	1	0		IEAFRM
COc1cccc(CNC(=O)c2cc(-c3nnn(Cc4ccc(C(=O)[O-])cc4)n3)ccn2)c1	ZINC000045391952	563134118	/nfs/dbraw/zinc/13/41/18/563134118.db2.gz	CWIUCTLMMSMTPK-UHFFFAOYSA-N	-1	0	444.451	2.420	1	0		IEAFRM
C[C@H](O)c1cn(C2CCN(c3nc4c(cc3F)c(=O)c(C(=O)[O-])cn4C3CC3)CC2)nn1	ZINC000049068106	563137441	/nfs/dbraw/zinc/13/74/41/563137441.db2.gz	MEENAQZEWNMRAH-NSHDSACASA-N	-1	0	442.451	2.055	1	0		IEAFRM
Cc1ccc(F)c(S(=O)(=O)[N-]C(=O)[C@]2(C)CCN2C(=O)Cc2cc(F)ccc2F)c1	ZINC000061897964	563147584	/nfs/dbraw/zinc/14/75/84/563147584.db2.gz	DTQFOHAQCCGXSS-FQEVSTJZSA-N	-1	0	440.443	2.451	3	0		IEAFRM
C[C@@]1(C(=O)[N-]S(=O)(=O)c2cccc(OC(F)F)c2)CCN1C(=O)Cc1cccs1	ZINC000061930447	563150700	/nfs/dbraw/zinc/15/07/00/563150700.db2.gz	OXCFYTJLRSWJIX-SFHVURJKSA-N	-1	0	444.481	2.388	3	0		IEAFRM
O=C([O-])C[C@H](NC(=O)c1ccc(CCC(=O)NC2=NCCCN2)s1)c1ccccc1	ZINC000096299882	563197348	/nfs/dbraw/zinc/19/73/48/563197348.db2.gz	VLJUFTHMYJULLF-INIZCTEOSA-N	-1	0	428.514	2.092	1	0		IEAFRM
Cn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(c4ncccn4)CC3)c(OC(F)F)c21	ZINC000000834173	562919312	/nfs/dbraw/zinc/91/93/12/562919312.db2.gz	JUDIRDPSSBVSCK-UHFFFAOYSA-N	-1	0	449.389	2.094	1	0		IEAFRM
Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCNNC3=O)c([S-])cc2Cl)cc1	ZINC000001859528	562925029	/nfs/dbraw/zinc/92/50/29/562925029.db2.gz	DTZXBZOABFSEIO-UHFFFAOYSA-N	-1	0	440.934	2.408	1	0		IEAFRM
COc1ccc(-n2c(=O)cc([O-])n(NC(=O)[C@H](C)Oc3ccccc3C)c2=S)cc1	ZINC000001863333	562925160	/nfs/dbraw/zinc/92/51/60/562925160.db2.gz	YPGWWWYPDQBJQY-AWEZNQCLSA-N	-1	0	427.482	2.353	1	0		IEAFRM
CN1C(=O)C[C@@H](c2nc(C(=O)NCc3ccc(F)cc3)c([O-])c3ncccc32)N(C)C1=O	ZINC000006733251	562948198	/nfs/dbraw/zinc/94/81/98/562948198.db2.gz	LGQWHMWVBRHRMJ-HNNXBMFYSA-N	-1	0	437.431	2.360	1	0		IEAFRM
O=C([O-])Cn1c(=O)c2cccc(F)c2n(Cc2ccc(Br)cc2F)c1=O	ZINC000013649877	562999002	/nfs/dbraw/zinc/99/90/02/562999002.db2.gz	IZXUQJKCVFRZBU-UHFFFAOYSA-N	-1	0	425.185	2.337	1	0		IEAFRM
O=C([O-])[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(-c2nnn(-c3ccccc3)n2)cc1	ZINC000013778449	563006049	/nfs/dbraw/zinc/00/60/49/563006049.db2.gz	VTULZRYBMWMKHT-HXUWFJFHSA-N	-1	0	449.492	2.304	1	0		IEAFRM
CNC(=O)[C@@H]1Cc2ccc(NS(=O)(=O)[O-])cc2CN1C(=O)CCCCc1ccccc1	ZINC000014952649	563015715	/nfs/dbraw/zinc/01/57/15/563015715.db2.gz	BUGCOTXUDZQDNO-FQEVSTJZSA-N	-1	0	445.541	2.314	1	0		IEAFRM
COc1cccc([C@@H](CC(=O)[O-])NS(=O)(=O)c2ccc3c(c2)N(C(C)=O)C[C@@H](C)O3)c1	ZINC000015936541	563018861	/nfs/dbraw/zinc/01/88/61/563018861.db2.gz	FAXHCUHRNHNNOJ-FZKQIMNGSA-N	-1	0	448.497	2.323	3	0		IEAFRM
O=C([O-])C1=C(Cl)CS[C@@H]2[C@H](NC(=O)Cc3csc(-c4ccccc4)n3)C(=O)N12	ZINC000026148102	563028942	/nfs/dbraw/zinc/02/89/42/563028942.db2.gz	WUKQYPFIQWWVQO-CXAGYDPISA-N	-1	0	435.914	2.288	1	0		IEAFRM
[NH3+]CCCC[C@H](N[P@](=O)([O-])CCCCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000026185553	563029760	/nfs/dbraw/zinc/02/97/60/563029760.db2.gz	PQURVZYNWRJZML-OALUTQOASA-N	-1	0	439.493	2.358	1	0		IEAFRM
CCCCCC[C@@H](CC(=O)[O-])S(=O)(=O)N[C@@H](Cc1ccc(OC)cc1)C(=O)NC	ZINC000026393528	563031728	/nfs/dbraw/zinc/03/17/28/563031728.db2.gz	ASDFSRLSQAJCEU-ROUUACIJSA-N	-1	0	428.551	2.085	1	0		IEAFRM
O=C([O-])C[C@H](NC(=O)[C@H](Cc1cccs1)NC(=O)OCc1ccccc1)C(=O)CF	ZINC000028262652	563052469	/nfs/dbraw/zinc/05/24/69/563052469.db2.gz	SHUHOTDRDJCOAN-HOTGVXAUSA-N	-1	0	436.461	2.084	1	0		IEAFRM
CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3-c2ccc3c(c2)OCO3)CC1	ZINC000028771629	563064376	/nfs/dbraw/zinc/06/43/76/563064376.db2.gz	IEOHIDQQDNWCFH-UHFFFAOYSA-N	-1	0	425.416	2.309	1	0		IEAFRM
O=C([O-])CN1c2ccccc2CC[C@H]([NH2+][C@@H](CSCc2ccccc2)C(=O)[O-])C1=O	ZINC000029392657	563079117	/nfs/dbraw/zinc/07/91/17/563079117.db2.gz	XCJANLVRPWZEHK-ROUUACIJSA-N	-1	0	428.510	2.395	1	0		IEAFRM
O=C([O-])CN1C[C@@H](c2ccccc2)SC[C@H]([NH2+][C@@H](CCc2ccccc2)C(=O)[O-])C1=O	ZINC000029569219	563082789	/nfs/dbraw/zinc/08/27/89/563082789.db2.gz	RYEAECHOAWRETF-UFYCRDLUSA-N	-1	0	442.537	2.432	1	0		IEAFRM
O=C(NCCCN1CCCC1=O)c1c(=O)[nH]c2cc(Cc3ccc(F)cc3)cnc2c1[O-]	ZINC000035998057	563090712	/nfs/dbraw/zinc/09/07/12/563090712.db2.gz	GXQOKLJRGLAGLA-UHFFFAOYSA-N	-1	0	438.459	2.101	1	0		IEAFRM
CN(C)S(=O)(=O)Oc1c2c(c([O-])c3ncccc31)C(=O)N(Cc1ccc(F)cc1)C2	ZINC000038147487	563096325	/nfs/dbraw/zinc/09/63/25/563096325.db2.gz	QSPZTSNQZUHYRV-UHFFFAOYSA-N	-1	0	431.445	2.421	1	0		IEAFRM
CC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)[C@H](N)c3csc4ccc(Cl)cc43)[C@H]2SC1	ZINC000040434459	563103728	/nfs/dbraw/zinc/10/37/28/563103728.db2.gz	UZTZFVASHBYFNE-PBFPGSCMSA-N	-1	0	437.930	2.313	1	0		IEAFRM
NS(=O)(=O)c1cc(S(=O)(=O)[O-])c(NCc2ccco2)cc1NCc1ccccc1	ZINC000040506119	563104250	/nfs/dbraw/zinc/10/42/50/563104250.db2.gz	VFMIIIUQUGGCRO-UHFFFAOYSA-N	-1	0	437.499	2.398	1	0		IEAFRM
COc1ccc(CCNC(=S)OCCNC(=O)c2ccccc2C(=O)[O-])cc1OC	ZINC000040939139	563113255	/nfs/dbraw/zinc/11/32/55/563113255.db2.gz	FPGXJXZXCFMOHC-UHFFFAOYSA-N	-1	0	432.498	2.266	1	0		IEAFRM
COc1ccc(S(=O)(=O)[N-]C(=O)[C@@]2(C)CCN2C(=O)Cc2ccccc2Cl)cc1	ZINC000061896701	563147422	/nfs/dbraw/zinc/14/74/22/563147422.db2.gz	HUJJSUJJNGJKPL-HXUWFJFHSA-N	-1	0	436.917	2.387	3	0		IEAFRM
C[C@@]1(C(=O)[N-]S(=O)(=O)c2ccc(F)cc2F)CCN1C(=O)Cc1cc(F)ccc1F	ZINC000061925738	563149730	/nfs/dbraw/zinc/14/97/30/563149730.db2.gz	OQJRGJABPWDYJV-IBGZPJMESA-N	-1	0	444.406	2.282	3	0		IEAFRM
CCCn1cnc2c(ncn2[C@@H]2O[C@H](COC)[C@H](O[P@](C)(=O)[O-])[C@@H]2OC)c1=S	ZINC000029550762	581095340	/nfs/dbraw/zinc/09/53/40/581095340.db2.gz	QKBWPTWGIDAGPF-GVUJHPQVSA-N	-1	0	432.439	2.131	1	0		IEAFRM
CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1C(=O)[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-]	ZINC000028097158	581096014	/nfs/dbraw/zinc/09/60/14/581096014.db2.gz	NULRTLVWXFIIBM-AXDKOMKPSA-N	-1	0	444.528	2.157	1	0		IEAFRM
CCOC(=O)[C@@H](CCc1ccccc1)N[C@H](C)C(=O)N1C(=O)[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-]	ZINC000028097164	581096038	/nfs/dbraw/zinc/09/60/38/581096038.db2.gz	NULRTLVWXFIIBM-XIKSMUEASA-N	-1	0	444.528	2.157	1	0		IEAFRM
CCCCc1nn(CC(=O)[O-])c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1	ZINC000001552279	562922951	/nfs/dbraw/zinc/92/29/51/562922951.db2.gz	RGLJSZWMSYPTER-UHFFFAOYSA-N	-1	0	433.472	2.367	1	0		IEAFRM
O=c1[n-]/c(=C/c2ccc(OCc3ccccc3)cn2)c(=O)[nH]/c1=C/c1ccc(Cl)cc1	ZINC000005596841	562944382	/nfs/dbraw/zinc/94/43/82/562944382.db2.gz	WPJZPZBORZAEIH-ADYPVIEZSA-N	-1	0	431.879	2.348	1	0		IEAFRM
O=C([O-])Cn1c(=O)c2ccc(F)cc2n(Cc2ccc(Br)cc2F)c1=O	ZINC000013649893	562998988	/nfs/dbraw/zinc/99/89/88/562998988.db2.gz	MGIFRJPLOBONOF-UHFFFAOYSA-N	-1	0	425.185	2.337	1	0		IEAFRM
COc1cnn(C)c(=O)c1-c1ccc(C[C@H](NC(=O)N(C)c2ccccc2)C(=O)[O-])cc1	ZINC000013704619	563001184	/nfs/dbraw/zinc/00/11/84/563001184.db2.gz	HJPINCWGHNTPPE-SFHVURJKSA-N	-1	0	436.468	2.298	1	0		IEAFRM
CC[C@]1(O)C(=O)OCc2c(=O)n3c(cc21)-c1nc2cc(F)c(F)cc2c(C(=O)[O-])c1C3	ZINC000013740631	563003112	/nfs/dbraw/zinc/00/31/12/563003112.db2.gz	PKRWFRHIMIZSGV-OAQYLSRUSA-N	-1	0	428.347	2.056	1	0		IEAFRM
O=C([O-])c1cn2c3c(cc(F)c(N4CCN(c5ccccn5)CC4)c3OC[C@@H]2CF)c1=O	ZINC000013913142	563013924	/nfs/dbraw/zinc/01/39/24/563013924.db2.gz	FASWMSDWHLSHQI-ZDUSSCGKSA-N	-1	0	442.422	2.463	1	0	investigational	IEAFRM
O=C(NCCCN1CCOCC1)c1ccc2c(c1)[n-]c(=S)n(Cc1ccccc1)c2=O	ZINC000020102495	563023585	/nfs/dbraw/zinc/02/35/85/563023585.db2.gz	DNATVQWKIMNHCU-UHFFFAOYSA-N	-1	0	438.553	2.186	1	0		IEAFRM
COc1cccc(CNC(=O)c2cc3c(cn2)ncn(Cc2ccc(C(=O)[O-])cc2)c3=O)c1	ZINC000029133171	563075930	/nfs/dbraw/zinc/07/59/30/563075930.db2.gz	AANVAJYRZQWBOW-UHFFFAOYSA-N	-1	0	444.447	2.477	1	0		IEAFRM
O=C([O-])COc1ccc(Cl)cc1CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1	ZINC000035827714	563090086	/nfs/dbraw/zinc/09/00/86/563090086.db2.gz	YEPKGHKIZDVJEY-UHFFFAOYSA-N	-1	0	442.896	2.449	1	0		IEAFRM
CCc1cc2c(nc(NC(=O)NCCC(=O)[O-])nc2N2CCN(C(=O)C(C)C)CC2)s1	ZINC000045321453	563130321	/nfs/dbraw/zinc/13/03/21/563130321.db2.gz	IWTMMMCAJYIIMH-UHFFFAOYSA-N	-1	0	448.549	2.155	1	0		IEAFRM
COc1ccc(S(=O)(=O)[N-]C(=O)[C@]2(C)CCN2C(=O)Cc2cc(C)cc(C)c2)cc1	ZINC000061904783	563148256	/nfs/dbraw/zinc/14/82/56/563148256.db2.gz	MSXQKPMNHZXCOI-QFIPXVFZSA-N	-1	0	430.526	2.351	3	0		IEAFRM
C[C@]1(C(=O)[N-]S(=O)(=O)C2CC2)CCCN(C(=O)c2cccc(OC(F)(F)F)c2)C1	ZINC000061908381	563148975	/nfs/dbraw/zinc/14/89/75/563148975.db2.gz	JKNNFHWWHCNHIO-KRWDZBQOSA-N	-1	0	434.436	2.436	3	0		IEAFRM
CN1C(=O)N(Cc2cc(F)ccc2F)C(=O)[C@]12C(=O)N(CC(=O)[O-])c1ccc(Cl)cc12	ZINC000084711061	563177447	/nfs/dbraw/zinc/17/74/47/563177447.db2.gz	YVLCOFIFKUMSFF-FQEVSTJZSA-N	-1	0	449.797	2.339	1	0		IEAFRM
COc1cc2nc(N3CCN(C(=O)C=C([O-])c4ccccc4)CC3)nc(N)c2cc1OC	ZINC000000600636	562918657	/nfs/dbraw/zinc/91/86/57/562918657.db2.gz	PXWNTBGUQKWMOQ-UHFFFAOYSA-N	-1	0	435.484	2.151	1	0		IEAFRM
CSCC[C@H](NC(=O)c1cccc(CN(Cc2c[nH]cn2)Cc2c[nH]cn2)c1)C(=O)[O-]	ZINC000003821789	562938882	/nfs/dbraw/zinc/93/88/82/562938882.db2.gz	JAKMEGXFQJPDDB-IBGZPJMESA-N	-1	0	442.545	2.271	1	0		IEAFRM
Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc2nsnc21	ZINC000008671678	562960928	/nfs/dbraw/zinc/96/09/28/562960928.db2.gz	HTJFNLPFRNMUPM-OAHLLOKOSA-N	-1	0	446.510	2.490	3	0		IEAFRM
COc1cnn(C)c(=O)c1-c1ccc(C[C@H](NC(=O)N2CCCC[C@@H]2C)C(=O)[O-])cc1	ZINC000013704642	563001236	/nfs/dbraw/zinc/00/12/36/563001236.db2.gz	JVMSOORAPUAHHJ-YOEHRIQHSA-N	-1	0	428.489	2.036	1	0		IEAFRM
O=C([O-])[C@H](CCCCn1cnc2c1NC=NC[C@H]2O)C(=O)NCc1ccc(Cl)cc1	ZINC000013807803	563008612	/nfs/dbraw/zinc/00/86/12/563008612.db2.gz	CEZUBTIRYSPQFO-HZPDHXFCSA-N	-1	0	433.896	2.211	1	0		IEAFRM
O=C([O-])CN1C(=O)[C@]2(CC(=O)N(Cc3cc(F)cc(F)c3)C2=O)c2cc(Cl)ccc21	ZINC000014976683	563016985	/nfs/dbraw/zinc/01/69/85/563016985.db2.gz	NPZVEIRNQWICMX-FQEVSTJZSA-N	-1	0	434.782	2.246	1	0		IEAFRM
O=C([O-])CN1C(=O)[C@@H]([NH2+][C@@H](CCc2ccccc2)C(=O)[O-])CSC[C@@H]1c1cccs1	ZINC000026152755	563029038	/nfs/dbraw/zinc/02/90/38/563029038.db2.gz	DDZAWUSTAAZYBS-YESZJQIVSA-N	-1	0	448.566	2.493	1	0		IEAFRM
CC(C)N1Cc2cc(C(=O)NCc3nc4ccccc4[nH]3)ccc2N[C@@H](CC(=O)[O-])C1=O	ZINC000026935554	563037803	/nfs/dbraw/zinc/03/78/03/563037803.db2.gz	ZKSIEMHDCDZHLO-IBGZPJMESA-N	-1	0	435.484	2.499	1	0		IEAFRM
NC(=O)[C@H](Cc1ccccc1)N[P@](=O)([O-])[C@H](Cc1ccccc1)NC(=O)C(F)(F)F	ZINC000027728064	563046044	/nfs/dbraw/zinc/04/60/44/563046044.db2.gz	RTBALMSTNAERMH-JKSUJKDBSA-N	-1	0	443.362	2.105	1	0		IEAFRM
CC(=O)N1CSC[C@H]1C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)[O-]	ZINC000028020745	563050045	/nfs/dbraw/zinc/05/00/45/563050045.db2.gz	XSVWCUOLZFHGBK-PMACEKPBSA-N	-1	0	428.510	2.299	1	0		IEAFRM
CC1(C)S[C@H]2[C@@H](NC(=O)N/C=C/c3cccc(Br)c3)C(=O)N2[C@H]1C(=O)[O-]	ZINC000028254203	563052365	/nfs/dbraw/zinc/05/23/65/563052365.db2.gz	FPBVVDYMEATDRX-BFVVBRNTSA-N	-1	0	440.319	2.235	1	0		IEAFRM
Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])cc1	ZINC000028358344	563053473	/nfs/dbraw/zinc/05/34/73/563053473.db2.gz	WKQZMKWOUOBQKD-LJQANCHMSA-N	-1	0	438.484	2.373	1	0		IEAFRM
O=C([O-])C[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)NCCc1ccccc1	ZINC000029318521	563077707	/nfs/dbraw/zinc/07/77/07/563077707.db2.gz	JYLDQRQMPPFVFN-INIZCTEOSA-N	-1	0	445.324	2.474	1	0		IEAFRM
CCNC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)n2nc(C)c(Br)c2C)cc1	ZINC000029403291	563079357	/nfs/dbraw/zinc/07/93/57/563079357.db2.gz	SQQIHCAPNVUQOI-UHFFFAOYSA-N	-1	0	444.311	2.350	1	0		IEAFRM
O=C([O-])CN1C[C@@H](c2ccsc2)SC[C@H]([NH2+][C@@H](CCc2ccccc2)C(=O)[O-])C1=O	ZINC000029569479	563082983	/nfs/dbraw/zinc/08/29/83/563082983.db2.gz	QOMSTJUDHMNZIH-BZSNNMDCSA-N	-1	0	448.566	2.493	1	0		IEAFRM
COc1ccc2c(c1)OC[C@H]([C@H](O)/C=C/[C@H]1[C@H](O)C[C@@H]3C/C(=C\COCC(=O)[O-])C[C@@H]31)O2	ZINC000040434486	563103722	/nfs/dbraw/zinc/10/37/22/563103722.db2.gz	SDDDJXPNYQPJCG-NABVTUBYSA-N	-1	0	446.496	2.187	1	0		IEAFRM
Nc1nc(NCc2ccccc2)nc2c1[nH]c(=O)n2Cc1cccc(C[P@@](=O)([O-])O)c1	ZINC000040939867	563113416	/nfs/dbraw/zinc/11/34/16/563113416.db2.gz	FCMPRTNWZDHSNH-UHFFFAOYSA-N	-1	0	440.400	2.452	1	0		IEAFRM
C[C@]1(C(=O)[N-]S(=O)(=O)C2CC2)CCN(C(=O)COc2ccc(Cl)cc2Cl)C1	ZINC000061895851	563147255	/nfs/dbraw/zinc/14/72/55/563147255.db2.gz	CMISRYWPCFDHSL-KRWDZBQOSA-N	-1	0	435.329	2.219	3	0		IEAFRM
COc1ccc(S(=O)(=O)[N-]C(=O)[C@]2(C)CCN2C(=O)Cc2ccccc2Cl)cc1	ZINC000061896702	563147406	/nfs/dbraw/zinc/14/74/06/563147406.db2.gz	HUJJSUJJNGJKPL-FQEVSTJZSA-N	-1	0	436.917	2.387	3	0		IEAFRM
C[C@]1(C(=O)[N-]S(=O)(=O)c2cccc(F)c2)CCN1C(=O)Cc1cc(F)ccc1F	ZINC000061902423	563147740	/nfs/dbraw/zinc/14/77/40/563147740.db2.gz	PRLMHFQKFOLITQ-LJQANCHMSA-N	-1	0	426.416	2.143	3	0		IEAFRM
COc1ccc(S(=O)(=O)[N-]C(=O)[C@@]2(C)CCN2C(=O)Cc2cc(C)cc(C)c2)cc1	ZINC000061904784	563148195	/nfs/dbraw/zinc/14/81/95/563148195.db2.gz	MSXQKPMNHZXCOI-JOCHJYFZSA-N	-1	0	430.526	2.351	3	0		IEAFRM
O=S(=O)([N-][C@@H]1Cc2ccc(Cn3cc(CO)c(C(F)(F)F)n3)cc2C1)C(F)(F)F	ZINC000066258441	563160241	/nfs/dbraw/zinc/16/02/41/563160241.db2.gz	JPWWDNPOUAOMQE-CYBMUJFWSA-N	-1	0	443.369	2.349	1	0		IEAFRM
O=S(=O)([N-][C@H]1Cc2ccc(Cn3cc(CO)c(C(F)(F)F)n3)cc2C1)C(F)(F)F	ZINC000066258440	563160254	/nfs/dbraw/zinc/16/02/54/563160254.db2.gz	JPWWDNPOUAOMQE-ZDUSSCGKSA-N	-1	0	443.369	2.349	1	0		IEAFRM
C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)N1CCN(c2ccc(F)cc2)[C@H](C)C1)C(=O)[O-]	ZINC000071315802	563161888	/nfs/dbraw/zinc/16/18/88/563161888.db2.gz	GDLNLDAXSYMNKX-AJYGTSELSA-N	-1	0	447.532	2.428	1	0		IEAFRM
O=C1OC(=CCn2ncc(=O)[n-]c2=O)C(OCc2ccccc2)=C1OCc1ccccc1	ZINC000072142589	563164827	/nfs/dbraw/zinc/16/48/27/563164827.db2.gz	GBOLDKQCLURSSJ-WQRHYEAKSA-N	-1	0	433.420	2.018	1	0		IEAFRM
CC(=O)OC(OC(C)=O)(OC(C)=O)O[P@](=O)([O-])[C@@H](O)c1ccc2ccccc2c1	ZINC000096941833	563200401	/nfs/dbraw/zinc/20/04/01/563200401.db2.gz	HMQXNCRPCVSBME-QGZVFWFLSA-N	-1	0	426.314	2.333	1	0		IEAFRM
CC(=O)OC(OC(C)=O)(OC(C)=O)O[P@](=O)([O-])[C@H](O)c1ccc2ccccc2c1	ZINC000096941832	563200417	/nfs/dbraw/zinc/20/04/17/563200417.db2.gz	HMQXNCRPCVSBME-KRWDZBQOSA-N	-1	0	426.314	2.333	1	0		IEAFRM
O=C([O-])c1cn2c3c(cc(F)c(N4CCN(c5ccccn5)CC4)c3OC[C@H]2CF)c1=O	ZINC000003920927	132268117	/nfs/dbraw/zinc/26/81/17/132268117.db2.gz	FASWMSDWHLSHQI-CYBMUJFWSA-N	-1	0	442.422	2.463	1	0	investigational	IEAFRM
CCCNC(=O)CN1c2ccccc2O[C@H](CCOc2ccccc2CC(=O)[O-])C1=O	ZINC000012358394	535071993	/nfs/dbraw/zinc/07/19/93/535071993.db2.gz	UHXBMLCSHRNMIX-HXUWFJFHSA-N	-1	0	426.469	2.403	1	0		IEAFRM
O=C([O-])C[C@H](NC(=O)OCc1ccccc1)C(=O)COC1=C(c2ccccc2)C(=O)OC1	ZINC000001540341	562922638	/nfs/dbraw/zinc/92/26/38/562922638.db2.gz	BTOQMSUXSHDZSO-KRWDZBQOSA-N	-1	0	439.420	2.310	1	0		IEAFRM
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(CSC(=S)N(C)OCc3ccccc3)S[C@H]12	ZINC000003927526	562939358	/nfs/dbraw/zinc/93/93/58/562939358.db2.gz	XFJAOMXNHAVQPI-AKWBHNSASA-N	-1	0	440.568	2.276	1	0		IEAFRM
COc1ccccc1-c1ccc(C[C@H](NC(=O)[C@@]2(C)CCCS2(=O)=O)C(=O)[O-])cc1	ZINC000013442234	562986521	/nfs/dbraw/zinc/98/65/21/562986521.db2.gz	HTKRKKLTEHJRRC-PGRDOPGGSA-N	-1	0	431.510	2.441	1	0		IEAFRM
CNC(=S)[N-]S(=O)(=O)c1cccc(CCNC(=O)c2cc(Cl)ccc2OC)c1	ZINC000013558417	562993583	/nfs/dbraw/zinc/99/35/83/562993583.db2.gz	WLWOAPVLFVXFPS-UHFFFAOYSA-N	-1	0	441.962	2.104	1	0		IEAFRM
COC(=O)CN(C(=O)N1CCOCC1)c1ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc1	ZINC000013682642	563001023	/nfs/dbraw/zinc/00/10/23/563001023.db2.gz	NEWPTCPRMDJVLE-UHFFFAOYSA-N	-1	0	444.328	2.430	1	0		IEAFRM
COc1ccccc1C[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1SCCCSCC(=O)[O-]	ZINC000013836439	563012282	/nfs/dbraw/zinc/01/22/82/563012282.db2.gz	UFVYMWZFQCQLEP-KNBXEBOLSA-N	-1	0	440.583	2.414	1	0		IEAFRM
CS(=O)(=O)c1ccc2sc(Cn3nc(CC(=O)[O-])c4ccccc4c3=O)nc2c1	ZINC000013860752	563012538	/nfs/dbraw/zinc/01/25/38/563012538.db2.gz	WBRSNTPRBXONMJ-UHFFFAOYSA-N	-1	0	429.479	2.085	1	0		IEAFRM
CN1C(=O)C[C@H](c2nc(C(=O)NCc3ccc(F)cc3)c([O-])c3ncccc32)N(C)C1=O	ZINC000013978736	563014175	/nfs/dbraw/zinc/01/41/75/563014175.db2.gz	LGQWHMWVBRHRMJ-OAHLLOKOSA-N	-1	0	437.431	2.360	1	0		IEAFRM
CCCc1ccc(CCC(=O)c2c(O)cc(O[C@@H](C[C@H](O)CO)C(=O)[O-])cc2O)cc1O	ZINC000027424465	563042131	/nfs/dbraw/zinc/04/21/31/563042131.db2.gz	OUKZJCOFMACUOO-BTYIYWSLSA-N	-1	0	448.468	2.147	1	0		IEAFRM
CCCc1ccc(CCC(=O)c2c(O)cc(O[C@H](C[C@H](O)CO)C(=O)[O-])cc2O)cc1O	ZINC000027424470	563042151	/nfs/dbraw/zinc/04/21/51/563042151.db2.gz	OUKZJCOFMACUOO-YCRPNKLZSA-N	-1	0	448.468	2.147	1	0		IEAFRM
Nc1ncnc2c1ncn2CCOC[P@](=O)([O-])OCCSC(=O)c1ccccc1	ZINC000027554276	563043627	/nfs/dbraw/zinc/04/36/27/563043627.db2.gz	LBFZZMZAXFEBHO-UHFFFAOYSA-N	-1	0	437.418	2.158	1	0		IEAFRM
Cn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(c4ncccn4)CC3)c(C(F)F)c21	ZINC000027859079	563047457	/nfs/dbraw/zinc/04/74/57/563047457.db2.gz	WKYKQELLARVFBY-UHFFFAOYSA-N	-1	0	433.390	2.430	1	0		IEAFRM
CC(C)C[C@H](CSCC(=O)[O-])NC(=O)C1C(=O)CCN1C(=O)OCc1ccccc1	ZINC000028009706	563049587	/nfs/dbraw/zinc/04/95/87/563049587.db2.gz	ZLVZBQCDUHFVII-VQIMIIECSA-N	-1	0	436.530	2.315	1	0		IEAFRM
CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(NS(C)(=O)=O)cc12)C(=O)[O-]	ZINC000040404400	563101193	/nfs/dbraw/zinc/10/11/93/563101193.db2.gz	PASQOFLVNKNUQM-KRWDZBQOSA-N	-1	0	440.499	2.345	1	0		IEAFRM
CC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)[C@H](N)c3ccc4cc(Cl)ccc4c3)[C@H]2SC1	ZINC000040434063	563103558	/nfs/dbraw/zinc/10/35/58/563103558.db2.gz	HLNLVZGXLFKQFQ-ZRGWGRIASA-N	-1	0	431.901	2.252	1	0		IEAFRM
CC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)[C@H](N)c3csc4cc(Cl)ccc43)[C@@H]2SC1	ZINC000040434346	563103682	/nfs/dbraw/zinc/10/36/82/563103682.db2.gz	ZMOWOBXWTQPZDP-IGCXYCKISA-N	-1	0	437.930	2.313	1	0		IEAFRM
CC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)[C@H](N)c3ccc4cccc(Cl)c4c3)[C@@H]2SC1	ZINC000040434232	563103723	/nfs/dbraw/zinc/10/37/23/563103723.db2.gz	DOFARGWBIZFTGU-VCBZYWHSSA-N	-1	0	431.901	2.252	1	0		IEAFRM
CCOC(=O)[C@H](CCc1ccccc1)N[C@H](C)C(=O)N1C(=O)[C@@H]2CCCC[C@@H]2[C@H]1C(=O)[O-]	ZINC000261145719	581096026	/nfs/dbraw/zinc/09/60/26/581096026.db2.gz	NULRTLVWXFIIBM-XZEJUNMKSA-N	-1	0	444.528	2.157	1	0		IEAFRM