smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=O)CCCCCN1c2ccccc2O[C@@H](CCOc2ccccc2CC(=O)[O-])C1=O	ZINC000012358393	132340865	/nfs/dbraw/zinc/34/08/65/132340865.db2.gz	OAFBFGLRYISABR-NRFANRHFSA-N	-1	0	440.496	2.923	1	0		IFAFRM
Cc1nc(C(=O)[O-])c2c(n1)N(Cc1ccc(-c3ccccc3-c3nn[nH]n3)cc1)C(=O)CC2	ZINC000013444040	132346860	/nfs/dbraw/zinc/34/68/60/132346860.db2.gz	NLTAFDGDIRUKLW-UHFFFAOYSA-N	-1	0	441.451	2.810	1	0		IFAFRM
COCc1cccc(C[C@H](O)/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2CCSCCCC(=O)[O-])c1	ZINC000003972998	562940256	/nfs/dbraw/zinc/94/02/56/562940256.db2.gz	ORSJUPRAHPZYRL-XHTUOEPPSA-N	-1	0	436.570	2.847	1	0	in-vitro	IFAFRM
O=C(Nc1ccc(S(=O)(=O)[O-])cc1)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O	ZINC000012480031	562982448	/nfs/dbraw/zinc/98/24/48/562982448.db2.gz	VGYCVTXTRFOQTJ-UHFFFAOYSA-N	-1	0	443.458	2.563	3	0		IFAFRM
CCOc1ccccc1N1CCN(CCn2c([O-])nc3c4ccccc4[nH]c3c2=O)CC1	ZINC000013523163	562991459	/nfs/dbraw/zinc/99/14/59/562991459.db2.gz	KSEKFOIGJKOAJY-UHFFFAOYSA-N	-1	0	433.512	2.804	1	0		IFAFRM
COc1ccc(Br)c([O-])c1C(=O)NCCN1CCN(c2ccccc2)CC1	ZINC000013761256	563005114	/nfs/dbraw/zinc/00/51/14/563005114.db2.gz	UTRNBIMBKRRKDH-UHFFFAOYSA-N	-1	0	434.334	2.715	1	0		IFAFRM
CC[C@@H]([NH3+])[P@](=O)([O-])C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000013807014	563008531	/nfs/dbraw/zinc/00/85/31/563008531.db2.gz	LFNLOFAQFPNEEA-AABGKKOBSA-N	-1	0	432.457	2.623	1	0		IFAFRM
Nc1ccc(C[C@H](C(=O)[O-])c2cn(C[C@H]3CCCCN3C(=O)c3ccccc3)cn2)cn1	ZINC000013985382	563014288	/nfs/dbraw/zinc/01/42/88/563014288.db2.gz	DXPCOTQKAXKFMI-UXHICEINSA-N	-1	0	433.512	2.966	1	0		IFAFRM
O=C([O-])CCCN1C(=O)[C@@]2(CC(=O)N(Cc3ccccc3F)C2=O)c2cc(Cl)ccc21	ZINC000014976578	563016994	/nfs/dbraw/zinc/01/69/94/563016994.db2.gz	HIJZDZLPNFKWAV-JOCHJYFZSA-N	-1	0	444.846	2.887	1	0		IFAFRM
COc1ccc(CNC(=O)c2cc(C[C@H]3SC(=O)[N-]C3=O)ccc2OC)cc1OC	ZINC000027619931	563044516	/nfs/dbraw/zinc/04/45/16/563044516.db2.gz	DVHTWAHBWMWSBT-GOSISDBHSA-N	-1	0	430.482	2.537	1	0		IFAFRM
COc1cccc(C(=O)N[C@@H](CC(=O)[O-])C(=O)CF)c1NC(=O)OCc1ccccc1	ZINC000028825318	563066205	/nfs/dbraw/zinc/06/62/05/563066205.db2.gz	RYUJDMGYZQEXSO-HNNXBMFYSA-N	-1	0	432.404	2.556	1	0		IFAFRM
CC(=O)N[C@H]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3-c2ccc(F)cc2)C1	ZINC000029341243	563078450	/nfs/dbraw/zinc/07/84/50/563078450.db2.gz	URXJABSIYDEKKS-AWEZNQCLSA-N	-1	0	427.407	2.682	1	0		IFAFRM
CCOC(=O)[C@@H](CCc1ccccc1)N[C@@H](C)C(=O)N1[C@@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	ZINC000031274440	563083214	/nfs/dbraw/zinc/08/32/14/563083214.db2.gz	VXFJYXUZANRPDJ-JBINPLMMSA-N	-1	0	430.545	2.773	1	0		IFAFRM
O=C(Nc1cccn2c(=O)c([O-])c(C(=O)NCc3ccc(F)cc3)nc12)c1ccccc1	ZINC000040954059	563114381	/nfs/dbraw/zinc/11/43/81/563114381.db2.gz	GDDBKURUXLFLCG-UHFFFAOYSA-N	-1	0	432.411	2.722	1	0		IFAFRM
CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(C(=O)c4ccccc4O)CC3)cc21	ZINC000045318095	563130029	/nfs/dbraw/zinc/13/00/29/563130029.db2.gz	SEZDCOKKNLHZSZ-UHFFFAOYSA-N	-1	0	439.443	2.527	1	0		IFAFRM
Cc1cc(C)nc(Sc2cc(=O)c3c(O)cc([O-])c([C@@H]4CCN(C)C[C@H]4O)c3o2)n1	ZINC000058601955	563145777	/nfs/dbraw/zinc/14/57/77/563145777.db2.gz	SVSLKZGKLLNZJL-MLGOLLRUSA-N	-1	0	429.498	2.542	1	0		IFAFRM
Cc1onc(-c2ccccc2)c1C(=O)N1CCC[C@](C)(C(=O)[N-]S(=O)(=O)C2CC2)C1	ZINC000061895835	563147272	/nfs/dbraw/zinc/14/72/72/563147272.db2.gz	LUFWRHGPXVNRLB-NRFANRHFSA-N	-1	0	431.514	2.501	3	0		IFAFRM
Cn1c(=O)[nH]c2ncc(-c3cccc(C(=O)NCCCc4ccc(C(=O)[O-])cc4)c3)cc21	ZINC000073294152	563171991	/nfs/dbraw/zinc/17/19/91/563171991.db2.gz	IZXBTKLQMRWWLH-UHFFFAOYSA-N	-1	0	430.464	2.989	1	0		IFAFRM
CN1C(=O)c2cc(NC(=O)c3cccc(F)c3)ccc2OC[C@@H]2O[C@H](CC(=O)[O-])CC[C@H]21	ZINC000095568267	563183900	/nfs/dbraw/zinc/18/39/00/563183900.db2.gz	WRKYVIHZIFPYOT-HQRMLTQVSA-N	-1	0	442.443	2.933	1	0		IFAFRM
O=C([O-])[C@H]1CCC[C@H]1C(=O)N1CCc2ccccc2[C@H]1CN1C(=O)c2ccccc2C1=O	ZINC000095872217	563194653	/nfs/dbraw/zinc/19/46/53/563194653.db2.gz	VLYHLCQLLVPWJM-QHAWAJNXSA-N	-1	0	432.476	2.910	1	0		IFAFRM
Cc1nc(C(=O)[O-])nc2c1CCC(=O)N2Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1	ZINC000013444043	132346857	/nfs/dbraw/zinc/34/68/57/132346857.db2.gz	XEFVTGUJJUZLJM-UHFFFAOYSA-N	-1	0	441.451	2.810	1	0		IFAFRM
Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@H]1C(=O)N2[C@H]1SC(C)(C)[C@@H]2C(=O)[O-]	ZINC000009212289	562968222	/nfs/dbraw/zinc/96/82/22/562968222.db2.gz	LQOLIRLGBULYKD-ZQIUZPCESA-N	-1	0	435.889	2.549	1	0		IFAFRM
CCc1c(CC(N)=O)c2cc(OCCCS(=O)(=O)[O-])ccc2n1Cc1ccccc1	ZINC000013446004	562986920	/nfs/dbraw/zinc/98/69/20/562986920.db2.gz	OLQKPOBSOJCZTO-UHFFFAOYSA-N	-1	0	430.526	2.937	1	0		IFAFRM
COCCc1ncc(C(=O)[O-])c(NCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)n1	ZINC000013832790	563011409	/nfs/dbraw/zinc/01/14/09/563011409.db2.gz	KQXWOHJRNGPSKO-UHFFFAOYSA-N	-1	0	431.456	2.823	1	0		IFAFRM
O=C([O-])[C@@H]1CN(CCC[P@](=O)([O-])O)CC[NH+]1CCC(c1ccccc1)c1ccccc1	ZINC000026737345	563036118	/nfs/dbraw/zinc/03/61/18/563036118.db2.gz	VDQHHCNKARUPDD-QFIPXVFZSA-N	-1	0	446.484	2.847	1	0		IFAFRM
CCC1(CC)C(=O)N(C(=O)NCc2ccc(C(N)=O)cc2)[C@H]1Oc1ccc(C(=O)[O-])cc1	ZINC000027209431	563040989	/nfs/dbraw/zinc/04/09/89/563040989.db2.gz	WCGQCSNEGWMDAO-NRFANRHFSA-N	-1	0	439.468	2.747	1	0		IFAFRM
O=C([O-])CC[C@@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)NN1CCC2(CCCC2)CC1	ZINC000027215825	563041121	/nfs/dbraw/zinc/04/11/21/563041121.db2.gz	WQMHUYOULHZNOK-GOSISDBHSA-N	-1	0	426.517	2.819	1	0		IFAFRM
CN1CCN(c2c(F)cc3c(=O)c(C(=O)[O-])cn(-c4ccc(F)cc4F)c3c2F)CC1	ZINC000027557756	563043901	/nfs/dbraw/zinc/04/39/01/563043901.db2.gz	QIRBSFULTGOKSX-UHFFFAOYSA-N	-1	0	435.377	2.997	1	0		IFAFRM
CCOC(=O)CN(Cc1cc2c(cc1Cl)OCO2)[C@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC000027637247	563044893	/nfs/dbraw/zinc/04/48/93/563044893.db2.gz	YSQNFUZYFQIYNK-QGZVFWFLSA-N	-1	0	435.860	2.835	1	0		IFAFRM
O=C([O-])c1cc(CCn2cnc3c2NC=NC[C@H]3O)c2c(c1Br)CCCC2	ZINC000027717103	563045811	/nfs/dbraw/zinc/04/58/11/563045811.db2.gz	YPFKFJNLCPXDDR-OAHLLOKOSA-N	-1	0	433.306	2.953	1	0		IFAFRM
CC1(C)S[C@@H]2[C@@H](NC(=O)N/C=C/c3ccc(Cl)c(Cl)c3)C(=O)N2[C@H]1C(=O)[O-]	ZINC000028254073	563052276	/nfs/dbraw/zinc/05/22/76/563052276.db2.gz	HZNYOVXGZCDNTN-SFDSEGJESA-N	-1	0	430.313	2.779	1	0		IFAFRM
CCCCOC(=O)N[C@H](Cc1ccccc1)C(=O)C[C@H](C)C(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000028757045	563063404	/nfs/dbraw/zinc/06/34/04/563063404.db2.gz	SJZSCNBOYIWMHJ-QXAKKESOSA-N	-1	0	432.517	2.795	1	0		IFAFRM
CCOC(=O)[C@H](CSc1ccccc1)N[C@H]1CCc2ccccc2N(CC(=O)[O-])C1=O	ZINC000029344201	563078698	/nfs/dbraw/zinc/07/86/98/563078698.db2.gz	DGPRMEPFNWGGKJ-OALUTQOASA-N	-1	0	442.537	2.733	1	0		IFAFRM
O=C([O-])[C@@H]1Oc2ccc(NC(=O)C3CCN(c4cc(F)c(F)c(F)c4)CC3)cc2NC1=O	ZINC000038210732	563097017	/nfs/dbraw/zinc/09/70/17/563097017.db2.gz	MSOQUIXNOPKHOU-GOSISDBHSA-N	-1	0	449.385	2.743	1	0		IFAFRM
C[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1Cc1cc(Cl)ccc1OCC(=O)[O-]	ZINC000038226197	563097049	/nfs/dbraw/zinc/09/70/49/563097049.db2.gz	KQVTZYFUHDWJOQ-HNNXBMFYSA-N	-1	0	438.933	2.698	1	0		IFAFRM
O=C([O-])[C@H]1Oc2ccc(NC(=O)C3CCN(c4cc(F)c(F)c(F)c4)CC3)cc2NC1=O	ZINC000038210733	563097090	/nfs/dbraw/zinc/09/70/90/563097090.db2.gz	MSOQUIXNOPKHOU-SFHVURJKSA-N	-1	0	449.385	2.743	1	0		IFAFRM
Cc1ccccc1Nc1cc(NCc2ccco2)c(S(=O)(=O)[O-])cc1S(N)(=O)=O	ZINC000040505478	563104232	/nfs/dbraw/zinc/10/42/32/563104232.db2.gz	BJGITXQNSSTLRC-UHFFFAOYSA-N	-1	0	437.499	2.838	1	0		IFAFRM
Cc1cc(C(=O)N2CC(O)C2)ccc1[C@@H]1CCCN1C(=O)c1cc(Cl)c([O-])cc1O	ZINC000040891884	563109981	/nfs/dbraw/zinc/10/99/81/563109981.db2.gz	WGQJLWUFEODORK-SFHVURJKSA-N	-1	0	430.888	2.854	1	0		IFAFRM
CCO[C@@H](Cc1cccc(C2=NO[C@H](c3ccc(OS(C)(=O)=O)cc3)C2)c1)C(=O)[O-]	ZINC000040938296	563113108	/nfs/dbraw/zinc/11/31/08/563113108.db2.gz	JNPBOHQFVOEQCH-PMACEKPBSA-N	-1	0	433.482	2.923	1	0		IFAFRM
NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(CC(=O)[O-])cc2)cc1	ZINC000045290952	563128840	/nfs/dbraw/zinc/12/88/40/563128840.db2.gz	YCYGZTICSDRPAA-UHFFFAOYSA-N	-1	0	425.388	2.833	1	0		IFAFRM
O=C([O-])c1cc2c3ccccc3n(Cc3ccccc3)c2c(CC[NH2+][C@@H](CO)C(=O)[O-])n1	ZINC000045299726	563129048	/nfs/dbraw/zinc/12/90/48/563129048.db2.gz	DIPCCDRAKFOYAY-FQEVSTJZSA-N	-1	0	433.464	2.514	1	0		IFAFRM
O=C([O-])[C@]1(NS(=O)(=O)c2ccc(-n3cc(Cl)cn3)s2)C[C@@H]1Cc1ccccc1	ZINC000049013679	563135262	/nfs/dbraw/zinc/13/52/62/563135262.db2.gz	BPEUMBJORJBHOS-UGSOOPFHSA-N	-1	0	437.930	2.952	1	0		IFAFRM
O=C([O-])C1=C(NC(=O)C(F)(F)C(F)(F)c2nc(-c3ccc(O)cn3)no2)CCCC1	ZINC000049036519	563136477	/nfs/dbraw/zinc/13/64/77/563136477.db2.gz	PSKPOJIUOVATKK-UHFFFAOYSA-N	-1	0	430.314	2.593	1	0		IFAFRM
CCS(=O)(=O)c1ccc2c(c1)C(=Cc1[nH]c3c(c1CCC(=O)[O-])C(=O)CCC3)C(=O)N2	ZINC000058592535	563145611	/nfs/dbraw/zinc/14/56/11/563145611.db2.gz	FVSPJSBCNGWVQQ-PTNGSMBKSA-N	-1	0	442.493	2.837	1	0		IFAFRM
C[C@@]1(C(=O)[N-]S(=O)(=O)Cc2cccc(Cl)c2)CCN1C(=O)Cc1cccs1	ZINC000061926253	563149884	/nfs/dbraw/zinc/14/98/84/563149884.db2.gz	ZGQQHWJPNIXOHQ-SFHVURJKSA-N	-1	0	426.947	2.581	3	0		IFAFRM
Cc1ccc(F)c(S(=O)(=O)[N-]C(=O)[C@@]2(C)CCN2C(=O)Cc2cc(C)cc(C)c2)c1	ZINC000061927951	563150280	/nfs/dbraw/zinc/15/02/80/563150280.db2.gz	FRFUUTLEOSRLRV-JOCHJYFZSA-N	-1	0	432.517	2.790	3	0		IFAFRM
CCCS(=O)(=O)[N-]C(=O)[C@@]1(C)CCCN(C(=O)c2c(C)onc2-c2ccccc2)C1	ZINC000061928484	563150379	/nfs/dbraw/zinc/15/03/79/563150379.db2.gz	PKKATZQSIRFXBF-NRFANRHFSA-N	-1	0	433.530	2.748	3	0		IFAFRM
CCCCCN(C(=O)OC(C)(C)C)c1nc2c(ncn2CC(=O)[O-])c(N2CCOCC2)n1	ZINC000066078146	563157767	/nfs/dbraw/zinc/15/77/67/563157767.db2.gz	HXHOJTFYGRJJLZ-UHFFFAOYSA-N	-1	0	448.524	2.679	1	0		IFAFRM
COc1ccc(-c2oc3c4c(cc(=O)c-3c([O-])c2OS(N)(=O)=O)OC(C)(C)CC4)cc1	ZINC000095536695	563180591	/nfs/dbraw/zinc/18/05/91/563180591.db2.gz	LCMDCNFZGCEBKI-UHFFFAOYSA-N	-1	0	447.465	2.860	1	0		IFAFRM
COc1cc([C@H](c2ccc3c(c2)OCO3)N2C(=O)CC[C@@H]2C(=O)[O-])cc(OC)c1OC	ZINC000001645039	562923607	/nfs/dbraw/zinc/92/36/07/562923607.db2.gz	WCESIUPIBSZELE-VLIAUNLRSA-N	-1	0	429.425	2.606	1	0		IFAFRM
COc1ccc([C@H]2c3cc4c(cc3OC(COC(C)=O)=C2C(=O)[O-])OCO4)c(OC)c1	ZINC000005809268	562944695	/nfs/dbraw/zinc/94/46/95/562944695.db2.gz	JXWOGGXSDWPUSV-FQEVSTJZSA-N	-1	0	428.393	2.859	1	0		IFAFRM
O=C([O-])Cc1nn(Cc2nc(-c3ccc(Br)cc3)no2)c(=O)c2ccccc12	ZINC000013449032	562987124	/nfs/dbraw/zinc/98/71/24/562987124.db2.gz	WYXYJBTXLGQUFC-UHFFFAOYSA-N	-1	0	441.241	2.884	1	0		IFAFRM
NC(=[NH2+])c1ccc2[nH]c(-c3cc([C@H](CC(=O)[O-])C(=O)[O-])cc(-c4cccnc4)c3O)nc2c1	ZINC000014957050	563015933	/nfs/dbraw/zinc/01/59/33/563015933.db2.gz	MURBWCHGWQNSHJ-HNNXBMFYSA-N	-1	0	445.435	2.924	1	0		IFAFRM
CCOC(=O)C1CCN(c2ncc(NS(=O)(=O)c3ccccc3C)cc2C(=O)[O-])CC1	ZINC000021883357	563025322	/nfs/dbraw/zinc/02/53/22/563025322.db2.gz	CPKMHYILIWHJDM-UHFFFAOYSA-N	-1	0	447.513	2.669	1	0		IFAFRM
CCCNc1c(=O)c(=O)c1N[C@@H](Cc1ccc(-c2c(OC)cccc2OC)cc1)C(=O)[O-]	ZINC000025999671	563028147	/nfs/dbraw/zinc/02/81/47/563028147.db2.gz	VGXUNPYFCYQNIR-BXQDWYBSSA-N	-1	0	438.480	2.565	1	0		IFAFRM
O=C([O-])[C@H]1CN(CCC[P@](=O)([O-])O)CC[NH+]1CCC(c1ccccc1)c1ccccc1	ZINC000026737351	563036177	/nfs/dbraw/zinc/03/61/77/563036177.db2.gz	VDQHHCNKARUPDD-JOCHJYFZSA-N	-1	0	446.484	2.847	1	0		IFAFRM
CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)C(=O)[O-]	ZINC000027093073	563039412	/nfs/dbraw/zinc/03/94/12/563039412.db2.gz	UNCOFUQMWOIDMS-WOJBJXKFSA-N	-1	0	440.496	2.709	1	0		IFAFRM
CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)[O-]	ZINC000027093066	563039453	/nfs/dbraw/zinc/03/94/53/563039453.db2.gz	UNCOFUQMWOIDMS-VQTJNVASSA-N	-1	0	440.496	2.709	1	0		IFAFRM
CC(=O)S[C@@H](CC(=O)N1CCC[C@H]1C(=O)[O-])C(=O)c1ccc(Br)cc1	ZINC000027314215	563041477	/nfs/dbraw/zinc/04/14/77/563041477.db2.gz	OGAYJFQSMSLPAW-KBPBESRZSA-N	-1	0	428.304	2.746	1	0		IFAFRM
C[C@@]1(O)CC(=O)O[C@@H](CS(=O)(=O)c2nc(-c3ccccc3)c(-c3ccccc3)[n-]2)C1	ZINC000027442225	563042412	/nfs/dbraw/zinc/04/24/12/563042412.db2.gz	GTSQNBRCOPGGHW-VGSWGCGISA-N	-1	0	426.494	2.974	1	0		IFAFRM
O=C([O-])c1cn2c3c(cc(F)c(N4CCN(CC(F)(F)F)CC4)c3SCC2)c1=O	ZINC000027524368	563043029	/nfs/dbraw/zinc/04/30/29/563043029.db2.gz	QCKOURFDEKGVRP-UHFFFAOYSA-N	-1	0	431.411	2.629	1	0		IFAFRM
COc1ccc(-c2nc(S(=O)(=O)CS(C)(=O)=O)[n-]c2-c2ccc(OC)cc2)cc1	ZINC000028219478	563051679	/nfs/dbraw/zinc/05/16/79/563051679.db2.gz	WBMRQEAORRIRPK-UHFFFAOYSA-N	-1	0	436.511	2.537	1	0		IFAFRM
COc1ccc(Cl)cc1C(=O)NCNc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1	ZINC000028353313	563053283	/nfs/dbraw/zinc/05/32/83/563053283.db2.gz	ISOSXKIDULWGPR-UHFFFAOYSA-N	-1	0	447.904	2.739	1	0		IFAFRM
O=C([O-])CC[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NCCc1ccccc1	ZINC000029311893	563077647	/nfs/dbraw/zinc/07/76/47/563077647.db2.gz	FLWJWBYOVLRFBS-NRFANRHFSA-N	-1	0	440.521	2.710	1	0		IFAFRM
O=C([O-])COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1c[nH]c2ccccc12	ZINC000029570429	563083031	/nfs/dbraw/zinc/08/30/31/563083031.db2.gz	MHOAWSFMPMAKIO-NRFANRHFSA-N	-1	0	448.479	2.730	1	0		IFAFRM
COc1cc2c(c(OC)c1OC)-c1ccc(N)c(=O)cc1[C@H]([N-]C(=O)C(F)(F)F)CC2	ZINC000032292834	563084207	/nfs/dbraw/zinc/08/42/07/563084207.db2.gz	KPUQFELWTOHGSX-CQSZACIVSA-N	-1	0	438.402	2.988	1	0		IFAFRM
COC(=O)c1c(O)cccc1O[C@@H](/C=C/c1cccc(-c2cc(C(=O)[O-])no2)c1)CO	ZINC000038346992	563097527	/nfs/dbraw/zinc/09/75/27/563097527.db2.gz	JHAAKRKBUUYJTG-HVHJFMEUSA-N	-1	0	425.393	2.985	1	0		IFAFRM
CN(Cc1ccco1)c1cc(Oc2ccccc2)c(S(N)(=O)=O)cc1S(=O)(=O)[O-]	ZINC000040505007	563104299	/nfs/dbraw/zinc/10/42/99/563104299.db2.gz	JXLWFNOZUIQWQP-UHFFFAOYSA-N	-1	0	438.483	2.602	1	0		IFAFRM
Cc1cc(-c2ccc(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)C[C@H]3C)c([O-])c2)on1	ZINC000043070245	563118066	/nfs/dbraw/zinc/11/80/66/563118066.db2.gz	VVMKOAPRHJQACJ-MRXNPFEDSA-N	-1	0	433.464	2.911	1	0		IFAFRM
CO[C@@H]1[C@H](OC(=O)N2CCC(C(=O)[O-])CC2)CC[C@]2(CO2)[C@H]1[C@@]1(C)O[C@@H]1CC=C(C)C	ZINC000045260254	563127676	/nfs/dbraw/zinc/12/76/76/563127676.db2.gz	BGHTVZDZACAUFT-WYIZHRONSA-N	-1	0	437.533	2.996	1	0		IFAFRM
C[C@@H](O)[C@H]([NH2+]CCc1nc(C(=O)[O-])cc2c3ccccc3n(Cc3ccccc3)c21)C(=O)[O-]	ZINC000045286491	563128358	/nfs/dbraw/zinc/12/83/58/563128358.db2.gz	KCKANAFKFVDILK-QRQCRPRQSA-N	-1	0	447.491	2.902	1	0		IFAFRM
Nc1c(F)c(NCCNc2ccccn2)c2c3c1c(=O)c(C(=O)[O-])cn3C1(CC1)CCO2	ZINC000059223657	563146392	/nfs/dbraw/zinc/14/63/92/563146392.db2.gz	NSKUJDMSYBLFMJ-UHFFFAOYSA-N	-1	0	439.447	2.612	1	0		IFAFRM
CCCS(=O)(=O)[N-]C(=O)[C@@]1(C)CCCN(C(=O)c2ccc(C(F)(F)F)nc2C)C1	ZINC000061897908	563147596	/nfs/dbraw/zinc/14/75/96/563147596.db2.gz	UANSMMSJYTZUAU-KRWDZBQOSA-N	-1	0	435.468	2.507	3	0		IFAFRM
Cc1cc(C)cc(CC(=O)N2CC[C@@]2(C)C(=O)[N-]S(=O)(=O)c2ccccc2Cl)c1	ZINC000061906988	563148664	/nfs/dbraw/zinc/14/86/64/563148664.db2.gz	PJLRZUCKDKXLBN-NRFANRHFSA-N	-1	0	434.945	2.995	3	0		IFAFRM
C[C@@]1(C(=O)[N-]S(=O)(=O)Cc2cccc(Cl)c2)CCN1C(=O)CCc1ccccc1	ZINC000061927699	563150191	/nfs/dbraw/zinc/15/01/91/563150191.db2.gz	LJAPGBCIDYEDIH-NRFANRHFSA-N	-1	0	434.945	2.910	3	0		IFAFRM
O=C([O-])CN1CN(Cc2ccc(Br)cc2F)S(=O)(=O)c2ccccc21	ZINC000066258350	563160250	/nfs/dbraw/zinc/16/02/50/563160250.db2.gz	LTXZRNFVGIISCL-UHFFFAOYSA-N	-1	0	429.267	2.641	1	0		IFAFRM
O=C([O-])c1cccc(S(=O)(=O)N2CCc3c(I)cccc3C2)c1	ZINC000095555976	563181399	/nfs/dbraw/zinc/18/13/99/563181399.db2.gz	OEKBWMJPWMLWLJ-UHFFFAOYSA-N	-1	0	443.262	2.736	1	0		IFAFRM
COc1cc([C@H](c2ccc3c(c2)OCO3)N2C(=O)CC[C@H]2C(=O)[O-])cc(OC)c1OC	ZINC000001645041	562923583	/nfs/dbraw/zinc/92/35/83/562923583.db2.gz	WCESIUPIBSZELE-XOBRGWDASA-N	-1	0	429.425	2.606	1	0		IFAFRM
O=C([O-])C1(C(=O)[O-])Oc2cc3c(cc2O1)C[C@@H]([NH2+]C[C@H](O)c1cccc(Cl)c1)CCC3	ZINC000003824081	562938908	/nfs/dbraw/zinc/93/89/08/562938908.db2.gz	GWMSTQYZVVPMPN-IRXDYDNUSA-N	-1	0	447.871	2.547	1	0		IFAFRM
CN1C[C@@H]2C[C@H]1CN2c1c(F)cc2c(=O)c(C(=O)[O-])cn(-c3ccc(F)cc3)c2c1F	ZINC000013650284	562999065	/nfs/dbraw/zinc/99/90/65/562999065.db2.gz	DYRLCUDRTWYEHX-KBPBESRZSA-N	-1	0	429.398	2.999	1	0		IFAFRM
CCCCc1nn([C@@H](C)C(=O)[O-])c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1	ZINC000013832685	563011466	/nfs/dbraw/zinc/01/14/66/563011466.db2.gz	AXEIUUWKJNJHAE-HNNXBMFYSA-N	-1	0	447.499	2.928	1	0		IFAFRM
O=C([O-])c1cc(CCn2cnc3c2NC=NC[C@@H]3O)c2c(c1Br)CCCC2	ZINC000013861927	563012895	/nfs/dbraw/zinc/01/28/95/563012895.db2.gz	YPFKFJNLCPXDDR-HNNXBMFYSA-N	-1	0	433.306	2.953	1	0		IFAFRM
NC(=[NH2+])c1ccc2[nH]c(-c3cc([C@@H](CC(=O)[O-])C(=O)[O-])cc(-c4cccnc4)c3O)nc2c1	ZINC000014957046	563015923	/nfs/dbraw/zinc/01/59/23/563015923.db2.gz	MURBWCHGWQNSHJ-OAHLLOKOSA-N	-1	0	445.435	2.924	1	0		IFAFRM
O=C([O-])CCCN1C(=O)[C@]2(CC(=O)N(Cc3ccccc3F)C2=O)c2cc(Cl)ccc21	ZINC000014976581	563016986	/nfs/dbraw/zinc/01/69/86/563016986.db2.gz	HIJZDZLPNFKWAV-QFIPXVFZSA-N	-1	0	444.846	2.887	1	0		IFAFRM
O=C([O-])CCCN1C(=O)[C@]2(CC(=O)N(Cc3ccccc3)C2=O)c2cc(Cl)ccc21	ZINC000014976553	563016992	/nfs/dbraw/zinc/01/69/92/563016992.db2.gz	VSZZCAPTMIXVIH-QFIPXVFZSA-N	-1	0	426.856	2.748	1	0		IFAFRM
COc1c(N2CC[C@@](CO)(C(F)(F)F)C2)c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c21	ZINC000026716802	563035501	/nfs/dbraw/zinc/03/55/01/563035501.db2.gz	LDTXJOLXUJBSFX-LJQANCHMSA-N	-1	0	444.381	2.933	1	0		IFAFRM
O=C([O-])[C@H](CCc1ccccc1)[NH2+][C@@H]1Cc2ccccc2[C@H]2CCC[C@@H](C(=O)[O-])N2C1=O	ZINC000027558905	563043992	/nfs/dbraw/zinc/04/39/92/563043992.db2.gz	MFPBDCIKVMSRDU-CBPXPLCBSA-N	-1	0	436.508	2.794	1	0		IFAFRM
COc1cc([N-]S(=O)(=O)c2ccc(-n3sc4ccccc4c3=O)cc2)nc(OC)n1	ZINC000027988445	563048902	/nfs/dbraw/zinc/04/89/02/563048902.db2.gz	GBLVVSNXMBWCAO-UHFFFAOYSA-N	-1	0	444.494	2.660	1	0		IFAFRM
O=C([O-])[C@H]1CCCN1C(=O)CCCC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1	ZINC000028109410	563050821	/nfs/dbraw/zinc/05/08/21/563050821.db2.gz	OCCYDXOFQKDGHX-LEWJYISDSA-N	-1	0	436.508	2.843	1	0		IFAFRM
O=C([O-])C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NCCCc1ccccc1	ZINC000029325622	563077987	/nfs/dbraw/zinc/07/79/87/563077987.db2.gz	HVQCQDNTJJWKCH-NRFANRHFSA-N	-1	0	440.521	2.710	1	0		IFAFRM
O=C(NCc1ccccc1)[C@@H]1[C@H](COP(=O)([O-])[O-])[C@H]2CCC[N@@H+]2[C@@H]1c1ccccc1	ZINC000035271075	563089738	/nfs/dbraw/zinc/08/97/38/563089738.db2.gz	OQBSZZRWZJKHLZ-XRXFAXGQSA-N	-1	0	430.441	2.864	1	0		IFAFRM
Cn1cc(C(=O)[O-])c(=O)c2cc(O)c(N3CCN(c4nc5ccccc5s4)CC3)cc21	ZINC000040899368	563110847	/nfs/dbraw/zinc/11/08/47/563110847.db2.gz	HXAJIMZQQWRURC-UHFFFAOYSA-N	-1	0	436.493	2.879	1	0		IFAFRM
CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1cc(N3CCOC3=O)ccc12)C(=O)[O-]	ZINC000043119709	563118710	/nfs/dbraw/zinc/11/87/10/563118710.db2.gz	PKQOURGVZCVPOK-SFHVURJKSA-N	-1	0	432.454	2.930	1	0		IFAFRM
Cc1cc(-c2nnn(Cc3ccc(C(=O)[O-])cc3)n2)cc(C(=O)NCc2ccc(F)cc2)n1	ZINC000045347649	563131968	/nfs/dbraw/zinc/13/19/68/563131968.db2.gz	HYCDSMAFYDBXIZ-UHFFFAOYSA-N	-1	0	446.442	2.859	1	0		IFAFRM
Cc1nc(C(F)(F)F)ccc1C(=O)N1CC[C@]1(C)C(=O)[N-]S(=O)(=O)c1ccccc1	ZINC000061925604	563149752	/nfs/dbraw/zinc/14/97/52/563149752.db2.gz	PRQDCPJYEPUUTL-GOSISDBHSA-N	-1	0	441.431	2.519	3	0		IFAFRM
CCCS(=O)(=O)[N-]C(=O)[C@]1(C)CCCN(C(=O)c2c(C)onc2-c2ccccc2)C1	ZINC000061928483	563150358	/nfs/dbraw/zinc/15/03/58/563150358.db2.gz	PKKATZQSIRFXBF-OAQYLSRUSA-N	-1	0	433.530	2.748	3	0		IFAFRM
Cc1noc(C)c1-c1cncnc1N[C@@H](Cc1ccc(OC(=O)N(C)C)cc1)C(=O)[O-]	ZINC000066074766	563157356	/nfs/dbraw/zinc/15/73/56/563157356.db2.gz	PSUBZHJGIYPUCZ-KRWDZBQOSA-N	-1	0	425.445	2.917	1	0		IFAFRM
Cn1c(=O)[nH]c2ncc(-c3cccc(C(=O)N[C@@H](CCc4ccccc4)C(=O)[O-])c3)cc21	ZINC000073310732	563172286	/nfs/dbraw/zinc/17/22/86/563172286.db2.gz	RRRCPTXVLMYSGV-IBGZPJMESA-N	-1	0	430.464	2.744	1	0		IFAFRM
Cn1c(=O)[nH]c2ncc(-c3cccc(C(=O)NC[C@@H](Cc4ccccc4)C(=O)[O-])c3)cc21	ZINC000073314817	563172450	/nfs/dbraw/zinc/17/24/50/563172450.db2.gz	FMZVNWWLRGOIPX-LJQANCHMSA-N	-1	0	430.464	2.602	1	0		IFAFRM
Cc1noc([N-]S(=O)(=O)c2ccc(-n3ccc4c(c3=O)C(=O)OC4(C)C)cc2)c1C	ZINC000096909502	563197750	/nfs/dbraw/zinc/19/77/50/563197750.db2.gz	IWSYWURJHPXCFO-UHFFFAOYSA-N	-1	0	429.454	2.649	1	0		IFAFRM
CCOC(=O)[C@H](CCc1ccccc1)O[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-]	ZINC000253670865	581096073	/nfs/dbraw/zinc/09/60/73/581096073.db2.gz	JNGVBETXENHKFM-HSQYWUDLSA-N	-1	0	439.508	2.994	1	0		IFAFRM
NC(=O)CCCCN1c2ccccc2O[C@@H](CCOc2ccccc2CC(=O)[O-])C1=O	ZINC000012358391	132340849	/nfs/dbraw/zinc/34/08/49/132340849.db2.gz	KVKWPAKOYVJKBO-FQEVSTJZSA-N	-1	0	426.469	2.532	1	0		IFAFRM
Cc1ccccc1O[C@@H](C)C(=O)Nn1c([O-])cc(=O)n(-c2ccc(Cl)cc2)c1=S	ZINC000001863331	562925149	/nfs/dbraw/zinc/92/51/49/562925149.db2.gz	QBBNBCRPKDJUFD-ZDUSSCGKSA-N	-1	0	431.901	2.997	1	0		IFAFRM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(N3C(=O)[C@@H]4CC=C(Cl)C[C@H]4C3=O)cc2)n1	ZINC000004001685	562940535	/nfs/dbraw/zinc/94/05/35/562940535.db2.gz	FSFDUQGAIQKIDA-IAGOWNOFSA-N	-1	0	446.916	2.916	3	0		IFAFRM
Cc1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	ZINC000006013512	562945772	/nfs/dbraw/zinc/94/57/72/562945772.db2.gz	PLHSUHIGPKJBNU-KRWDZBQOSA-N	-1	0	445.946	2.869	3	0		IFAFRM
CCOC(=O)N1CCN(C(=O)c2ccc3c(c2)nc2c(c3SCC(=O)[O-])CCC2)CC1	ZINC000006577462	562947600	/nfs/dbraw/zinc/94/76/00/562947600.db2.gz	ZIPDDNOSNNHGCM-UHFFFAOYSA-N	-1	0	443.525	2.815	3	0		IFAFRM
CCOC(=O)[C@@H](CCc1ccccc1)N[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-]	ZINC000009211133	562968226	/nfs/dbraw/zinc/96/82/26/562968226.db2.gz	JSDRRTOADPPCHY-WTOYTKOKSA-N	-1	0	438.524	2.567	1	0		IFAFRM
COc1cccc(OC)c1-c1ccc(C[C@H](NC(=O)[C@]2(C)O[C@@H](C)CC2=O)C(=O)[O-])cc1	ZINC000013442323	562986473	/nfs/dbraw/zinc/98/64/73/562986473.db2.gz	KSRNGDACGBIPKZ-ZSCHSRKISA-N	-1	0	441.480	2.619	1	0		IFAFRM
O=C([O-])C[C@H](NC(=O)c1cncc(Br)c1)C(=O)CSCc1ccccc1	ZINC000013533718	562992137	/nfs/dbraw/zinc/99/21/37/562992137.db2.gz	SZRHFBSJKYTCPW-HNNXBMFYSA-N	-1	0	437.315	2.920	1	0		IFAFRM
O=C([O-])CCCN1C(=O)[C@@]2(CC(=O)N(Cc3ccccc3)C2=O)c2cc(Cl)ccc21	ZINC000014976551	563017004	/nfs/dbraw/zinc/01/70/04/563017004.db2.gz	VSZZCAPTMIXVIH-JOCHJYFZSA-N	-1	0	426.856	2.748	1	0		IFAFRM
O=C([O-])CN1C(=O)[C@@]2(CC(=O)N(Cc3cccc(Cl)c3)C2=O)c2cc(Cl)ccc21	ZINC000014976636	563017010	/nfs/dbraw/zinc/01/70/10/563017010.db2.gz	PTGHDUZXAIHWGN-HXUWFJFHSA-N	-1	0	433.247	2.622	1	0		IFAFRM
CC[C@H](C)[C@@H]([NH2+][C@@H](C)C(=O)[O-])C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)[O-]	ZINC000026655978	563034802	/nfs/dbraw/zinc/03/48/02/563034802.db2.gz	REUFMJWXJQZYAJ-SNHGZMDHSA-N	-1	0	426.513	2.943	1	0		IFAFRM
COc1c(N2CCN(c3ccccn3)CC2)c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c21	ZINC000026830826	563037261	/nfs/dbraw/zinc/03/72/61/563037261.db2.gz	RNYVDUFHLFGSED-UHFFFAOYSA-N	-1	0	438.459	2.904	1	0		IFAFRM
CC(=O)S[C@H](CC(=O)N1CCC[C@H]1C(=O)[O-])C(=O)c1ccc(Br)cc1	ZINC000027314221	563041417	/nfs/dbraw/zinc/04/14/17/563041417.db2.gz	OGAYJFQSMSLPAW-UONOGXRCSA-N	-1	0	428.304	2.746	1	0		IFAFRM
CN(C[C@@H](O)COc1ccc(C[C@@H]2SC(=O)[N-]C2=O)cc1)c1nc2ccccc2o1	ZINC000027319002	563041540	/nfs/dbraw/zinc/04/15/40/563041540.db2.gz	RYKNFTVIRIANLP-KDOFPFPSSA-N	-1	0	427.482	2.598	1	0		IFAFRM
O=C([O-])c1c2cccc1COCCOCCOc1ccccc1OCCOCCOC2	ZINC000027861100	563047476	/nfs/dbraw/zinc/04/74/76/563047476.db2.gz	JBYZDUKKJBWRPN-UHFFFAOYSA-N	-1	0	432.469	2.923	1	0		IFAFRM
Cc1ccccc1C(=O)N[C@@H](Cc1ccccc1)C(=O)CCC(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000028012938	563049764	/nfs/dbraw/zinc/04/97/64/563049764.db2.gz	VAFYRBBLYXKEBH-SFTDATJTSA-N	-1	0	436.508	2.761	1	0		IFAFRM
CC(C)C[C@H]([NH2+][C@@H](Cc1ccccc1)N[P@](=O)([O-])CNC(=O)c1ccccc1)C(=O)[O-]	ZINC000028225503	563051815	/nfs/dbraw/zinc/05/18/15/563051815.db2.gz	INFXCMLEECQQJD-VQTJNVASSA-N	-1	0	447.472	2.807	1	0		IFAFRM
COc1ccc(CCc2ccc(S(=O)(=O)N[C@@H](C(C)C)[P@@](=O)([O-])O)cc2)cc1	ZINC000028643030	563060580	/nfs/dbraw/zinc/06/05/80/563060580.db2.gz	AGSXHHFUSDGSSO-LJQANCHMSA-N	-1	0	427.459	2.919	1	0		IFAFRM
O=C([O-])[C@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1	ZINC000028817876	563064892	/nfs/dbraw/zinc/06/48/92/563064892.db2.gz	NBNFKQYGXDDSSQ-XHSDSOJGSA-N	-1	0	449.356	2.906	1	0		IFAFRM
COc1cnn(C)c(=O)c1-c1ccc(C[C@H](NC(=O)c2sccc2Cl)C(=O)[O-])cc1	ZINC000029127934	563075041	/nfs/dbraw/zinc/07/50/41/563075041.db2.gz	CKVRPDLELYWMQI-AWEZNQCLSA-N	-1	0	447.900	2.597	1	0		IFAFRM
CCOC(=O)[C@H](Cc1c[nH]c2ccccc12)N[C@H]1CCc2ccccc2N(CC(=O)[O-])C1=O	ZINC000029390033	563078880	/nfs/dbraw/zinc/07/88/80/563078880.db2.gz	NRBULABTUTWKCG-SFTDATJTSA-N	-1	0	449.507	2.664	1	0		IFAFRM
COc1cc([C@@H]2c3cc4c(cc3[C@@H](CC(=O)[O-])[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O	ZINC000029409580	563079753	/nfs/dbraw/zinc/07/97/53/563079753.db2.gz	IYVVNZIKCQPEJG-KCSYIYMLSA-N	-1	0	442.420	2.631	1	0		IFAFRM
COc1cc(CN2c3ccc(Br)cc3C([O-])=CS2(=O)=O)cc(OC)c1	ZINC000036383071	563094225	/nfs/dbraw/zinc/09/42/25/563094225.db2.gz	KMQLOXSIWVXGLG-UHFFFAOYSA-N	-1	0	426.288	2.999	1	0		IFAFRM
Nc1cc2ccc1Oc1cc(cc(Br)c1[O-])CCNC(=O)CCNC(=O)CC2	ZINC000036472927	563095449	/nfs/dbraw/zinc/09/54/49/563095449.db2.gz	GGXMZDGJOAHEGN-UHFFFAOYSA-N	-1	0	448.317	2.640	1	0		IFAFRM
C[C@@H]1c2c(c([O-])c3ncccc3c2OS(=O)(=O)N(C)C)C(=O)N1Cc1ccc(F)cc1	ZINC000038147691	563096433	/nfs/dbraw/zinc/09/64/33/563096433.db2.gz	ICBVLBQDAJSTNX-GFCCVEGCSA-N	-1	0	445.472	2.982	1	0		IFAFRM
CCOC(=O)C(=O)Oc1ccc(-c2c(=O)c3c(O)cc([O-])cc3oc2C(=O)OCC)cc1	ZINC000040939474	563113346	/nfs/dbraw/zinc/11/33/46/563113346.db2.gz	ZFVANSRVZVDYRK-UHFFFAOYSA-N	-1	0	442.376	2.516	1	0		IFAFRM
CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(Cn4cnc5ccccc54)CC3)cc21	ZINC000040976212	563115399	/nfs/dbraw/zinc/11/53/99/563115399.db2.gz	WGXYNONEXPTDNQ-UHFFFAOYSA-N	-1	0	449.486	2.988	1	0		IFAFRM
CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-]	ZINC000059575269	563146619	/nfs/dbraw/zinc/14/66/19/563146619.db2.gz	VXFJYXUZANRPDJ-OSTWSGHESA-N	-1	0	430.545	2.773	1	0		IFAFRM
C[C@@]1(C(=O)[N-]S(=O)(=O)c2cccc(OC(F)F)c2)CCN1C(=O)c1cccc(F)c1	ZINC000061897387	563147586	/nfs/dbraw/zinc/14/75/86/563147586.db2.gz	SQVMGHROIKGAKL-IBGZPJMESA-N	-1	0	442.415	2.537	3	0		IFAFRM
C[C@@]1(C(=O)[N-]S(=O)(=O)c2ccc(F)cc2F)CCN1C(=O)C/C=C/c1ccccc1	ZINC000061903515	563147906	/nfs/dbraw/zinc/14/79/06/563147906.db2.gz	HPGGXEAHBALWTO-FERLCFGISA-N	-1	0	434.464	2.864	3	0		IFAFRM
C[C@]1(C(=O)[N-]S(=O)(=O)c2ccccc2Cl)CCN1C(=O)C1(c2ccccc2)CC1	ZINC000061907806	563148895	/nfs/dbraw/zinc/14/88/95/563148895.db2.gz	FEARVPSSSDZWCS-HXUWFJFHSA-N	-1	0	432.929	2.868	3	0		IFAFRM
C[C@@]1(C(=O)[N-]S(=O)(=O)C2CC2)CCN(C(=O)C2(c3ccc(Cl)cc3)CCCC2)C1	ZINC000061908871	563149058	/nfs/dbraw/zinc/14/90/58/563149058.db2.gz	DABJGIVIMAXWTD-HXUWFJFHSA-N	-1	0	438.977	2.999	3	0		IFAFRM
C[C@]1(C(=O)[N-]S(=O)(=O)C2CC2)CCN(C(=O)C2(c3ccc(Cl)cc3)CCCC2)C1	ZINC000061908870	563149075	/nfs/dbraw/zinc/14/90/75/563149075.db2.gz	DABJGIVIMAXWTD-FQEVSTJZSA-N	-1	0	438.977	2.999	3	0		IFAFRM
C[C@@]1(C(=O)[N-]S(=O)(=O)c2cccs2)CCN1C(=O)C1(c2ccc(Cl)cc2)CC1	ZINC000061926696	563149983	/nfs/dbraw/zinc/14/99/83/563149983.db2.gz	CDFCSMSWRFEZOG-SFHVURJKSA-N	-1	0	438.958	2.929	3	0		IFAFRM
Cc1ccc(F)c(S(=O)(=O)[N-]C(=O)[C@]2(C)CCN2C(=O)Cc2cc(C)cc(C)c2)c1	ZINC000061927949	563150297	/nfs/dbraw/zinc/15/02/97/563150297.db2.gz	FRFUUTLEOSRLRV-QFIPXVFZSA-N	-1	0	432.517	2.790	3	0		IFAFRM
C[C@@]1(C(=O)[N-]S(=O)(=O)c2ccc(Cl)s2)CCN1C(=O)Cc1cc(F)ccc1F	ZINC000061930003	563150587	/nfs/dbraw/zinc/15/05/87/563150587.db2.gz	VEBNDBACALDDIR-KRWDZBQOSA-N	-1	0	448.900	2.718	3	0		IFAFRM
COc1ccc([C@H](CC(=O)[O-])N2CCN(CCCc3ccc4c(n3)NCCC4)C2)cn1	ZINC000084758150	563179503	/nfs/dbraw/zinc/17/95/03/563179503.db2.gz	LSAHZFHCOBEICB-FQEVSTJZSA-N	-1	0	425.533	2.567	1	0		IFAFRM
CCOC(=O)[C@@H](CCc1ccccc1)O[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-]	ZINC000028755623	581096057	/nfs/dbraw/zinc/09/60/57/581096057.db2.gz	JNGVBETXENHKFM-ZPMCFJSWSA-N	-1	0	439.508	2.994	1	0		IFAFRM
Cc1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	ZINC000006013513	562945816	/nfs/dbraw/zinc/94/58/16/562945816.db2.gz	PLHSUHIGPKJBNU-QGZVFWFLSA-N	-1	0	445.946	2.869	3	0		IFAFRM
Nc1nc(N)c2nc(CN3c4ccccc4C=Cc4cc(OCC(=O)[O-])ccc43)cnc2n1	ZINC000013560818	562994293	/nfs/dbraw/zinc/99/42/93/562994293.db2.gz	GGUGVSSBODWDCP-UHFFFAOYSA-N	-1	0	441.451	2.870	1	0		IFAFRM
Nc1ccc(C[C@@H](C(=O)[O-])c2cn(C[C@@H]3CCCCN3C(=O)c3ccccc3)cn2)cn1	ZINC000013985369	563014309	/nfs/dbraw/zinc/01/43/09/563014309.db2.gz	DXPCOTQKAXKFMI-VQTJNVASSA-N	-1	0	433.512	2.966	1	0		IFAFRM
O=C([O-])CN1C(=O)[C@]2(CC(=O)N(Cc3cccc(Cl)c3)C2=O)c2cc(Cl)ccc21	ZINC000014976638	563016990	/nfs/dbraw/zinc/01/69/90/563016990.db2.gz	PTGHDUZXAIHWGN-FQEVSTJZSA-N	-1	0	433.247	2.622	1	0		IFAFRM
CN([N-]S(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Br)cc1	ZINC000026273065	563030446	/nfs/dbraw/zinc/03/04/46/563030446.db2.gz	HDIAVUGVXSGURN-UHFFFAOYSA-N	-1	0	439.740	2.617	1	0		IFAFRM
NC(=O)CC[C@H](NC(=O)c1ccc(COc2cccnc2)cc1-c1ccccc1)C(=O)[O-]	ZINC000027428448	563042299	/nfs/dbraw/zinc/04/22/99/563042299.db2.gz	YOCZOOZCVZXRAC-NRFANRHFSA-N	-1	0	433.464	2.776	1	0		IFAFRM
O=C([O-])[C@@H](Cc1ccc(O)cc1)NC(=O)C(=O)c1c[nH]c2ccc(Br)cc21	ZINC000027558576	563044002	/nfs/dbraw/zinc/04/40/02/563044002.db2.gz	SNHLKIVQPIKUGK-MRXNPFEDSA-N	-1	0	431.242	2.631	1	0		IFAFRM
O=C([O-])[C@@H]1CCCN1C(=O)CCCC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1	ZINC000028016046	563049851	/nfs/dbraw/zinc/04/98/51/563049851.db2.gz	OCCYDXOFQKDGHX-SFTDATJTSA-N	-1	0	436.508	2.843	1	0		IFAFRM
CC(C)C[C@H](CSCC(=O)[O-])NC(=O)[C@H]1CCC(=O)N1C(=O)OCc1ccccc1	ZINC000028018685	563049931	/nfs/dbraw/zinc/04/99/31/563049931.db2.gz	KRIKXFUPXOJMHX-IAGOWNOFSA-N	-1	0	436.530	2.663	1	0		IFAFRM
C[C@H]([NH3+])[P@](=O)([O-])C[C@@H](Cc1ccccc1)C(=O)N[C@@](C)(Cc1ccccc1)C(=O)[O-]	ZINC000029310103	563077436	/nfs/dbraw/zinc/07/74/36/563077436.db2.gz	NGIKEOBOTQMANM-PERKRYKHSA-N	-1	0	432.457	2.623	1	0		IFAFRM
COc1ccc(OC)c(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cn(C)cn2)c1	ZINC000034892050	563088468	/nfs/dbraw/zinc/08/84/68/563088468.db2.gz	DLRUZESAZUHSJR-UHFFFAOYSA-N	-1	0	440.485	2.925	1	0		IFAFRM
C[C@H]1CN(Cc2cc(Cl)ccc2OCC(=O)[O-])CCN1S(=O)(=O)c1ccccc1	ZINC000038254140	563097226	/nfs/dbraw/zinc/09/72/26/563097226.db2.gz	OVNWHOGUZJEKAS-HNNXBMFYSA-N	-1	0	438.933	2.698	1	0		IFAFRM
CCOC(=O)C(=O)Nc1nc(-c2nnc(Cc3ccc(F)cc3)o2)c([O-])c2ncccc12	ZINC000040380616	563099768	/nfs/dbraw/zinc/09/97/68/563099768.db2.gz	XCPLJZPKKYYYBZ-UHFFFAOYSA-N	-1	0	437.387	2.617	1	0		IFAFRM
O=C1c2ccccc2C(=O)N1[C@H]1CCC(=O)N(CSC(=S)[N-]C2CCCCC2)C1=O	ZINC000040391610	563099829	/nfs/dbraw/zinc/09/98/29/563099829.db2.gz	FFNWHRVLDSRFEI-INIZCTEOSA-N	-1	0	445.566	2.698	1	0		IFAFRM
O=C1c2ccccc2C(=O)N1[C@@H]1CCC(=O)N(CSC(=S)[N-]C2CCCCC2)C1=O	ZINC000040391607	563099844	/nfs/dbraw/zinc/09/98/44/563099844.db2.gz	FFNWHRVLDSRFEI-MRXNPFEDSA-N	-1	0	445.566	2.698	1	0		IFAFRM
CC(C)(C)OC(=O)N1CCC([C@@H](NS(=O)(=O)c2cc3ccccc3o2)C(=O)[O-])CC1	ZINC000040401504	563100911	/nfs/dbraw/zinc/10/09/11/563100911.db2.gz	CFQILWOWWHSROR-QGZVFWFLSA-N	-1	0	438.502	2.811	1	0		IFAFRM
Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cccc(CC(=O)N2CCSCC2)n1	ZINC000040431140	563103623	/nfs/dbraw/zinc/10/36/23/563103623.db2.gz	SSCXJKIURZDFOK-UHFFFAOYSA-N	-1	0	425.963	2.962	1	0		IFAFRM
CN1CCN(C(=O)c2nc(-c3nnc(Cc4ccc(F)cc4)o3)c([O-])c3ncccc23)CC1	ZINC000040865969	563108717	/nfs/dbraw/zinc/10/87/17/563108717.db2.gz	DHOCHGXXFALDAS-UHFFFAOYSA-N	-1	0	448.458	2.503	1	0		IFAFRM
Cc1cc(-c2nnn(Cc3ccc(C(=O)[O-])cc3)n2)cc(C(=O)NCc2cccc(F)c2)n1	ZINC000045347755	563131973	/nfs/dbraw/zinc/13/19/73/563131973.db2.gz	VMSRPNPKVKMUCO-UHFFFAOYSA-N	-1	0	446.442	2.859	1	0		IFAFRM
COc1cccc(C2=CN3C(=O)c4cc(OC)c(OC)cc4N[C@@H](S(=O)(=O)[O-])[C@@H]3C2)c1	ZINC000049808656	563140413	/nfs/dbraw/zinc/14/04/13/563140413.db2.gz	DHRYHJGDYUKVSB-PXNSSMCTSA-N	-1	0	446.481	2.607	1	0		IFAFRM
C[C@]1(C(=O)[N-]S(=O)(=O)C2CC2)CCCN(C(=O)c2cccnc2Oc2ccccc2)C1	ZINC000061896047	563147278	/nfs/dbraw/zinc/14/72/78/563147278.db2.gz	AFCGOOSMLUFQQR-QFIPXVFZSA-N	-1	0	443.525	2.725	3	0		IFAFRM
C[C@@]1(C(=O)[N-]S(=O)(=O)c2ccccc2C(F)(F)F)CCN1C(=O)c1cccc(F)c1	ZINC000061903662	563148015	/nfs/dbraw/zinc/14/80/15/563148015.db2.gz	SIOHRSNHULZOEF-SFHVURJKSA-N	-1	0	444.406	2.954	3	0		IFAFRM
C[C@@]1(C(=O)[N-]S(=O)(=O)c2ccccc2Cl)CCN1C(=O)Cc1cc(F)ccc1F	ZINC000061904614	563148186	/nfs/dbraw/zinc/14/81/86/563148186.db2.gz	PZWPUPDEXIDSNU-IBGZPJMESA-N	-1	0	442.871	2.657	3	0		IFAFRM
C[C@]1(C(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2)CCN1C(=O)Cc1cc(F)ccc1F	ZINC000061905307	563148320	/nfs/dbraw/zinc/14/83/20/563148320.db2.gz	SJSWNVPWUFTEMW-LJQANCHMSA-N	-1	0	442.871	2.657	3	0		IFAFRM
Cc1nc(C(F)(F)F)ccc1C(=O)N1CC[C@@]1(C)C(=O)[N-]S(=O)(=O)c1ccccc1	ZINC000061925603	563149729	/nfs/dbraw/zinc/14/97/29/563149729.db2.gz	PRQDCPJYEPUUTL-SFHVURJKSA-N	-1	0	441.431	2.519	3	0		IFAFRM
CCCS(=O)(=O)[N-]C(=O)[C@@]1(C)CCCN(C(=O)c2ccccc2Br)C1	ZINC000061928664	563150372	/nfs/dbraw/zinc/15/03/72/563150372.db2.gz	VJBMBJMYDSZIRB-KRWDZBQOSA-N	-1	0	431.352	2.547	3	0		IFAFRM
C[C@@H]1CN(Cc2cc(Cl)ccc2OCC(=O)[O-])CCN1S(=O)(=O)c1ccccc1	ZINC000066114593	563159286	/nfs/dbraw/zinc/15/92/86/563159286.db2.gz	OVNWHOGUZJEKAS-OAHLLOKOSA-N	-1	0	438.933	2.698	1	0		IFAFRM
COc1ccc(C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2)C(=O)[O-])cc1	ZINC000072106560	563163067	/nfs/dbraw/zinc/16/30/67/563163067.db2.gz	QLLHBXARSNYCFR-GOTSBHOMSA-N	-1	0	446.503	2.848	1	0		IFAFRM
CCCC[P@](=O)([O-])C1=CC[C@H](NC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)C1	ZINC000095587046	563189421	/nfs/dbraw/zinc/18/94/21/563189421.db2.gz	XSPYVQUZDCELLN-MBGYTDRXSA-N	-1	0	429.523	2.945	1	0		IFAFRM
CCOC(=O)[C@@H](CCc1ccccc1)N[C@@H](C)C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	ZINC000001853194	562924911	/nfs/dbraw/zinc/92/49/11/562924911.db2.gz	VXFJYXUZANRPDJ-RQUKQETFSA-N	-1	0	430.545	2.773	1	0		IFAFRM
CCOP(=O)(OCC)[C@@H](Cc1cn(S(=O)(=O)c2ccc(C)cc2)cn1)C(=O)[O-]	ZINC000006002007	562945623	/nfs/dbraw/zinc/94/56/23/562945623.db2.gz	PGDDNJRQZUMHIS-INIZCTEOSA-N	-1	0	430.419	2.690	1	0		IFAFRM
COc1ccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)CCC(=O)[O-])cc1Cl	ZINC000008598685	562954367	/nfs/dbraw/zinc/95/43/67/562954367.db2.gz	BPNTUGHBWSCPIP-UHFFFAOYSA-N	-1	0	438.889	2.903	1	0		IFAFRM
O=C([N-]C[C@H](NS(=O)(=O)OCC(Cl)(Cl)Cl)c1ccccc1)C(F)(F)F	ZINC000012473229	562982201	/nfs/dbraw/zinc/98/22/01/562982201.db2.gz	HQKMNRGEMWIHBN-VIFPVBQESA-N	-1	0	443.658	2.627	3	0		IFAFRM
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)[O-]	ZINC000013833778	563011827	/nfs/dbraw/zinc/01/18/27/563011827.db2.gz	UNCOFUQMWOIDMS-PMACEKPBSA-N	-1	0	440.496	2.709	1	0		IFAFRM
CCOP(=O)(OCC)[C@H](Cc1cn(S(=O)(=O)c2ccc(C)cc2)cn1)C(=O)[O-]	ZINC000017254047	563021916	/nfs/dbraw/zinc/02/19/16/563021916.db2.gz	PGDDNJRQZUMHIS-MRXNPFEDSA-N	-1	0	430.419	2.690	1	0		IFAFRM
O=C([O-])CC[C@H](NC(=O)c1cnc2ccccc2c1)C(=O)NN1CCC2(CCCC2)CC1	ZINC000027211101	563041023	/nfs/dbraw/zinc/04/10/23/563041023.db2.gz	XGRDOTJWNKDMRJ-FQEVSTJZSA-N	-1	0	438.528	2.885	1	0		IFAFRM
CC(=O)S[C@H](C(=O)c1ccc(Br)cc1)[C@@H](C)C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000027317134	563041445	/nfs/dbraw/zinc/04/14/45/563041445.db2.gz	UWIBVAUAEBBHOQ-OOVXXXAESA-N	-1	0	442.331	2.992	1	0		IFAFRM
CCOc1cc(N)c(Cl)cc1C(=O)NC[C@@H]1CN(Cc2ccc(C(=O)[O-])cc2)CCO1	ZINC000027708282	563045535	/nfs/dbraw/zinc/04/55/35/563045535.db2.gz	CQJUWQQCAORDOB-MRXNPFEDSA-N	-1	0	447.919	2.650	1	0		IFAFRM
CC(C)CCn1c(=O)c2nc(-c3ccc(S(=O)(=O)[O-])cc3)[nH]c2n(CC(C)C)c1=O	ZINC000028236274	563051960	/nfs/dbraw/zinc/05/19/60/563051960.db2.gz	JXMNUSHGVIUZOA-UHFFFAOYSA-N	-1	0	434.518	2.502	1	0		IFAFRM
COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@@H]2[C@@](C)(CC[C@H]3CCOC3)[C@H](C(=O)[O-])CC[C@@]12C	ZINC000028702027	563061445	/nfs/dbraw/zinc/06/14/45/563061445.db2.gz	QHYAZYXYBWLSKF-JSDJLVNFSA-N	-1	0	438.517	2.620	1	0		IFAFRM
CCOC(=O)[C@H](CCc1ccccc1)O[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-]	ZINC000028755622	563063306	/nfs/dbraw/zinc/06/33/06/563063306.db2.gz	JNGVBETXENHKFM-WTOYTKOKSA-N	-1	0	439.508	2.994	1	0		IFAFRM
O=C([O-])CCNc1nc(CC2N=NC(=S)N2NC(=O)c2ccc(Cl)cc2)cs1	ZINC000028815430	563064513	/nfs/dbraw/zinc/06/45/13/563064513.db2.gz	VXYUPNCIMSOMFP-UHFFFAOYSA-N	-1	0	438.922	2.538	1	0		IFAFRM
Cc1cc(COc2ccc(C(=O)N[C@]3(C)C(=O)[N-]C(=O)NC3=O)cc2)c2ccccc2n1	ZINC000028892530	563068490	/nfs/dbraw/zinc/06/84/90/563068490.db2.gz	VXTCOPDBGATGEE-UHFFFAOYSA-N	-1	0	432.436	2.817	1	0		IFAFRM
CCOC(=O)[C@@H](CCc1ccccc1)N[C@H]1CSc2ccccc2N(CC(=O)[O-])C1=O	ZINC000029320524	563077797	/nfs/dbraw/zinc/07/77/97/563077797.db2.gz	JHCMSDHPXGWVKN-MSOLQXFVSA-N	-1	0	442.537	2.733	1	0		IFAFRM
CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCC(NC(=O)c4ccccc4)CC3)nc21	ZINC000029329042	563078074	/nfs/dbraw/zinc/07/80/74/563078074.db2.gz	GEPDLQXVXCPXRW-UHFFFAOYSA-N	-1	0	438.459	2.653	1	0		IFAFRM
CC(C)C[C@H]([NH2+][C@H](CCc1ccccc1)C(=O)[O-])C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000029347333	563078736	/nfs/dbraw/zinc/07/87/36/563078736.db2.gz	YUTFDOKLZTWOIW-FSSWDIPSSA-N	-1	0	440.540	2.889	1	0		IFAFRM
CC(C)C[C@H]([NH2+][C@@H](CCc1ccccc1)C(=O)[O-])C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000029347325	563078740	/nfs/dbraw/zinc/07/87/40/563078740.db2.gz	YUTFDOKLZTWOIW-FKBYEOEOSA-N	-1	0	440.540	2.889	1	0		IFAFRM
Cn1nnnc1Cc1ncc(Cl)cc1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1	ZINC000034603829	563086443	/nfs/dbraw/zinc/08/64/43/563086443.db2.gz	ICBWFOBAWJKURO-UHFFFAOYSA-N	-1	0	433.708	2.957	1	0		IFAFRM
COc1ccc(Cn2cc(C(=O)[O-])c(=O)c3cc4c(nc32)N2CCC[C@H]2CO4)c(OC)c1	ZINC000036472181	563095475	/nfs/dbraw/zinc/09/54/75/563095475.db2.gz	IVEYMCSFVQZFER-AWEZNQCLSA-N	-1	0	437.452	2.521	1	0		IFAFRM
CCOC(=O)[C@H](CCc1ccccc1)N[C@@H]1CSc2ccccc2N(CC(=O)[O-])C1=O	ZINC000039627924	563099201	/nfs/dbraw/zinc/09/92/01/563099201.db2.gz	JHCMSDHPXGWVKN-ZWKOTPCHSA-N	-1	0	442.537	2.733	1	0		IFAFRM
COc1ccc(/C=C/C(=O)N[C@@H](CCC(=O)[O-])C(=O)Nc2ccc(F)cc2)cc1OC	ZINC000040406275	563101375	/nfs/dbraw/zinc/10/13/75/563101375.db2.gz	IGGAUACBPJXFHC-ITHMCKDVSA-N	-1	0	430.432	2.844	1	0		IFAFRM
C[C@@H]1COCCN1C(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc2nccnc21	ZINC000040764235	563106564	/nfs/dbraw/zinc/10/65/64/563106564.db2.gz	GTFGMVIPJXVJOV-CYBMUJFWSA-N	-1	0	446.916	2.945	1	0		IFAFRM
CCOC(=O)N=c1[n-]nc(SCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)s1	ZINC000040862959	563108401	/nfs/dbraw/zinc/10/84/01/563108401.db2.gz	QJJFWMTXQGUPRR-UHFFFAOYSA-N	-1	0	448.530	2.635	1	0		IFAFRM
O=C([O-])C[C@H](NC(=O)OCc1ccccc1)C(=O)COC(=O)Cc1coc2ccccc12	ZINC000058583130	563145253	/nfs/dbraw/zinc/14/52/53/563145253.db2.gz	DAFSYFHOUCDOLO-SFHVURJKSA-N	-1	0	439.420	2.857	1	0		IFAFRM
O=C([O-])C[C@H](NC(=O)OCc1ccccc1)C(=O)COC(=O)CSc1ccccc1	ZINC000058591188	563145534	/nfs/dbraw/zinc/14/55/34/563145534.db2.gz	XBIYQYQBXWRHMD-KRWDZBQOSA-N	-1	0	431.466	2.661	1	0		IFAFRM
O=C([O-])C[C@H](NC(=O)OCc1ccccc1)C(=O)COC(=O)CCCc1ccccc1	ZINC000058592361	563145620	/nfs/dbraw/zinc/14/56/20/563145620.db2.gz	HNLBQZLEPMCNMV-IBGZPJMESA-N	-1	0	427.453	2.891	1	0		IFAFRM
C[C@@]1(C(=O)[N-]S(=O)(=O)C2CC2)CCCN(C(=O)c2cccnc2Oc2ccccc2)C1	ZINC000061896048	563147243	/nfs/dbraw/zinc/14/72/43/563147243.db2.gz	AFCGOOSMLUFQQR-JOCHJYFZSA-N	-1	0	443.525	2.725	3	0		IFAFRM
C[C@]1(C(=O)[N-]S(=O)(=O)Cc2cccc(Cl)c2)CCN1C(=O)CCc1ccccc1	ZINC000061927698	563150200	/nfs/dbraw/zinc/15/02/00/563150200.db2.gz	LJAPGBCIDYEDIH-OAQYLSRUSA-N	-1	0	434.945	2.910	3	0		IFAFRM
O=C([O-])CN1CN(Cc2ccc(Br)cc2F)S(=O)(=O)c2cc(F)ccc21	ZINC000066252827	563160293	/nfs/dbraw/zinc/16/02/93/563160293.db2.gz	KAUOMZGEVKTLBI-UHFFFAOYSA-N	-1	0	447.257	2.780	1	0		IFAFRM
Cn1c(=O)[nH]c2ncc(-c3cccc(C(=O)NCCCc4cccc(C(=O)[O-])c4)c3)cc21	ZINC000073389777	563172746	/nfs/dbraw/zinc/17/27/46/563172746.db2.gz	ZRHQQWFYESFDOH-UHFFFAOYSA-N	-1	0	430.464	2.989	1	0		IFAFRM
CCOC(=O)[C@H](CCc1ccccc1)O[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-]	ZINC000253670867	581096048	/nfs/dbraw/zinc/09/60/48/581096048.db2.gz	JNGVBETXENHKFM-WTNAPCKOSA-N	-1	0	439.508	2.994	1	0		IFAFRM
CN1C[C@@H]2C[C@H]1CN2c1cc2c(cc1F)c(=O)c(C(=O)[O-])cn2-c1ccc(F)cc1F	ZINC000000575632	562918161	/nfs/dbraw/zinc/91/81/61/562918161.db2.gz	RNTCGLUWIFRHHC-STQMWFEESA-N	-1	0	429.398	2.999	1	0		IFAFRM
CC(C)[C@@H](CC(=O)[O-])NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1	ZINC000013438570	562986172	/nfs/dbraw/zinc/98/61/72/562986172.db2.gz	ORZLHZNPLLZPSZ-CABCVRRESA-N	-1	0	437.345	2.762	1	0		IFAFRM
COc1cc2ncnc(N3CCN(C(=O)Nc4ccc(C(=O)[O-])cc4)CC3)c2cc1OC	ZINC000013474789	562988796	/nfs/dbraw/zinc/98/87/96/562988796.db2.gz	GVGODJHCCDANKD-UHFFFAOYSA-N	-1	0	437.456	2.699	1	0		IFAFRM
CO[C@@H](Cc1ccccc1)[C@@H](C)/C=C(C)/C=C/[C@H](NC(C)=O)[C@H](C)C(=O)NCC(=O)[O-]	ZINC000013537713	562992547	/nfs/dbraw/zinc/99/25/47/562992547.db2.gz	WXYQJUWWDAJKPA-HTAXCLBBSA-N	-1	0	430.545	2.724	1	0		IFAFRM
O=C([O-])CCc1cc(CCNS(=O)(=O)N2CCCCC2)cc(Cc2cccnc2)c1	ZINC000013765932	563005608	/nfs/dbraw/zinc/00/56/08/563005608.db2.gz	YFYJSJBIRHAOGC-UHFFFAOYSA-N	-1	0	431.558	2.552	1	0		IFAFRM
CCCCc1nn([C@H](C)C(=O)[O-])c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1	ZINC000013832686	563011429	/nfs/dbraw/zinc/01/14/29/563011429.db2.gz	AXEIUUWKJNJHAE-OAHLLOKOSA-N	-1	0	447.499	2.928	1	0		IFAFRM
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)C(=O)[O-]	ZINC000013833779	563011855	/nfs/dbraw/zinc/01/18/55/563011855.db2.gz	UNCOFUQMWOIDMS-UXHICEINSA-N	-1	0	440.496	2.709	1	0		IFAFRM
C[C@@H]1CN(c2c(F)cc3c(=O)c(C(=O)[O-])c4scc5n4c3c2N(C)C5)C[C@H](C)N1C	ZINC000013889841	563013829	/nfs/dbraw/zinc/01/38/29/563013829.db2.gz	HYNJHFYBNHVNKB-PHIMTYICSA-N	-1	0	430.505	2.830	1	0		IFAFRM
Cc1cc(C)nc(Sc2cc(=O)c3c(O)cc([O-])c([C@@H]4CCN(C)C[C@@H]4O)c3o2)n1	ZINC000014945071	563015235	/nfs/dbraw/zinc/01/52/35/563015235.db2.gz	SVSLKZGKLLNZJL-WBMJQRKESA-N	-1	0	429.498	2.542	1	0		IFAFRM
COc1ccc([C@@H]2c3cc4c(cc3OC(COC(C)=O)=C2C(=O)[O-])OCO4)c(OC)c1	ZINC000017176659	563021496	/nfs/dbraw/zinc/02/14/96/563021496.db2.gz	JXWOGGXSDWPUSV-HXUWFJFHSA-N	-1	0	428.393	2.859	1	0		IFAFRM
CC(=O)S[C@@H](CC(=O)N1CCC[C@@H]1C(=O)[O-])C(=O)c1ccc(Br)cc1	ZINC000027314203	563041467	/nfs/dbraw/zinc/04/14/67/563041467.db2.gz	OGAYJFQSMSLPAW-KGLIPLIRSA-N	-1	0	428.304	2.746	1	0		IFAFRM
CN(C[C@H](O)COc1ccc(C[C@@H]2SC(=O)[N-]C2=O)cc1)c1nc2ccccc2o1	ZINC000027319008	563041530	/nfs/dbraw/zinc/04/15/30/563041530.db2.gz	RYKNFTVIRIANLP-KSSFIOAISA-N	-1	0	427.482	2.598	1	0		IFAFRM
O=C([O-])C(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(C(=O)c2ccccc2)cc1	ZINC000027520776	563042733	/nfs/dbraw/zinc/04/27/33/563042733.db2.gz	QZGLUUHBLOQISE-OAQYLSRUSA-N	-1	0	449.484	2.687	1	0		IFAFRM
CCOC(=O)CN(Cc1cc2c(cc1Cl)OCO2)[C@@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC000027637242	563044879	/nfs/dbraw/zinc/04/48/79/563044879.db2.gz	YSQNFUZYFQIYNK-KRWDZBQOSA-N	-1	0	435.860	2.835	1	0		IFAFRM
CC1(C)S[C@H]2[C@H](NC(=O)N/C=C/c3ccc(Cl)c(Cl)c3)C(=O)N2[C@H]1C(=O)[O-]	ZINC000028254091	563052368	/nfs/dbraw/zinc/05/23/68/563052368.db2.gz	HZNYOVXGZCDNTN-YCZHAMCGSA-N	-1	0	430.313	2.779	1	0		IFAFRM
O=C([O-])/C(=C/c1ccc(Oc2ccccc2I)cc1)NC(=O)CO	ZINC000028522324	563056098	/nfs/dbraw/zinc/05/60/98/563056098.db2.gz	RYOALEOHXHJXNR-ZROIWOOFSA-N	-1	0	439.205	2.618	1	0		IFAFRM
COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@@H]2[C@@](C)(CC[C@@H]3CCOC3)[C@H](C(=O)[O-])CC[C@@]12C	ZINC000028702025	563061382	/nfs/dbraw/zinc/06/13/82/563061382.db2.gz	QHYAZYXYBWLSKF-RNDLHZLASA-N	-1	0	438.517	2.620	1	0		IFAFRM
CCOC(=O)[C@H](CCc1ccccc1)O[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-]	ZINC000028755625	563063294	/nfs/dbraw/zinc/06/32/94/563063294.db2.gz	JNGVBETXENHKFM-YHYVQYDKSA-N	-1	0	439.508	2.994	1	0		IFAFRM
O=C([O-])COc1c(Br)c(Br)sc1C(=O)Nc1cc[nH]n1	ZINC000028886964	563068156	/nfs/dbraw/zinc/06/81/56/563068156.db2.gz	IMPWYZYDVGFDSA-UHFFFAOYSA-N	-1	0	425.058	2.712	1	0		IFAFRM
COc1cc([C@@H]2c3cc4c(cc3[C@@H](CC(=O)[O-])[C@@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O	ZINC000029409577	563079699	/nfs/dbraw/zinc/07/96/99/563079699.db2.gz	IYVVNZIKCQPEJG-SPLKOUATSA-N	-1	0	442.420	2.631	1	0		IFAFRM
CCC(C)(CC)OC(=O)CCNC(=O)C1=NO[C@H](C([O-])(C(F)(F)F)C(F)(F)F)C1	ZINC000034630864	563086591	/nfs/dbraw/zinc/08/65/91/563086591.db2.gz	RDFDOTFEEZLXTI-JTQLQIEISA-N	-1	0	436.349	2.615	1	0		IFAFRM
C[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1Cc1cc(Cl)ccc1OCC(=O)[O-]	ZINC000035849719	563090180	/nfs/dbraw/zinc/09/01/80/563090180.db2.gz	KQVTZYFUHDWJOQ-OAHLLOKOSA-N	-1	0	438.933	2.698	1	0		IFAFRM
NS(=O)(=O)c1cc(S(=O)(=O)[O-])c(NCc2ccccc2)cc1Oc1ccccc1	ZINC000040506037	563104301	/nfs/dbraw/zinc/10/43/01/563104301.db2.gz	RPCYFUBQOQTBRM-UHFFFAOYSA-N	-1	0	434.495	2.985	1	0		IFAFRM
O=C([O-])[C@H](Cc1ccc(O)cc1)NC(=O)CCCNC(=O)NC12CC3CC(CC(C3)C1)C2	ZINC000040617238	563105617	/nfs/dbraw/zinc/10/56/17/563105617.db2.gz	WLCKTKXEQMTRPW-BSFBHTCNSA-N	-1	0	443.544	2.552	1	0		IFAFRM
COc1ccc(/C=C/C(=O)N[C@@H](CCC(=O)[O-])C(=O)Nc2cc(F)cc(F)c2)cc1OC	ZINC000040918452	563111814	/nfs/dbraw/zinc/11/18/14/563111814.db2.gz	KYGMQKOVZLAUNI-PFWMLDTASA-N	-1	0	448.422	2.984	1	0		IFAFRM
Cn1cc(C(=O)[O-])c(=O)c2cc(C(F)(F)F)c(N3CCN(c4ccccn4)CC3)cc21	ZINC000040949568	563113731	/nfs/dbraw/zinc/11/37/31/563113731.db2.gz	CSNCXYHQAHXBRC-UHFFFAOYSA-N	-1	0	432.402	2.977	1	0		IFAFRM
Cc1onc(-c2ccccc2)c1C(=O)N1CCC[C@@](C)(C(=O)[N-]S(=O)(=O)C2CC2)C1	ZINC000061895834	563147186	/nfs/dbraw/zinc/14/71/86/563147186.db2.gz	LUFWRHGPXVNRLB-OAQYLSRUSA-N	-1	0	431.514	2.501	3	0		IFAFRM
C[C@]1(C(=O)[N-]S(=O)(=O)c2ccccc2Cl)CCN1C(=O)Cc1cc(F)ccc1F	ZINC000061904613	563148165	/nfs/dbraw/zinc/14/81/65/563148165.db2.gz	PZWPUPDEXIDSNU-LJQANCHMSA-N	-1	0	442.871	2.657	3	0		IFAFRM
C[C@]1(C(=O)[N-]S(=O)(=O)C2CC2)CCCN(C(=O)COc2ccc(Cl)cc2Cl)C1	ZINC000061925994	563149811	/nfs/dbraw/zinc/14/98/11/563149811.db2.gz	FLJNZDMJPYIIMG-SFHVURJKSA-N	-1	0	449.356	2.609	3	0		IFAFRM
C[C@]1(C(=O)[N-]S(=O)(=O)Cc2cccc(Cl)c2)CCN1C(=O)Cc1cccs1	ZINC000061926252	563149878	/nfs/dbraw/zinc/14/98/78/563149878.db2.gz	ZGQQHWJPNIXOHQ-GOSISDBHSA-N	-1	0	426.947	2.581	3	0		IFAFRM
C[C@@]1(C(=O)[N-]S(=O)(=O)c2cccc(Cl)c2)CCN1C(=O)C1(c2ccccc2)CC1	ZINC000061926665	563149989	/nfs/dbraw/zinc/14/99/89/563149989.db2.gz	GFSLPZYQQIIJQO-FQEVSTJZSA-N	-1	0	432.929	2.868	3	0		IFAFRM
Nc1ncnc2c1ncn2CCOC[P@@](=O)([O-])OCCCCCCCCCCO	ZINC000072106029	563162962	/nfs/dbraw/zinc/16/29/62/563162962.db2.gz	QQQFNTUAEZBGSG-UHFFFAOYSA-N	-1	0	429.458	2.698	1	0		IFAFRM
Cc1ccc(S(=O)(=O)[N-]c2c(C(=O)NC3CCOCC3)cnn2-c2ccccc2)cc1	ZINC000073195602	563169848	/nfs/dbraw/zinc/16/98/48/563169848.db2.gz	XUICATCWRHDGPN-UHFFFAOYSA-N	-1	0	440.525	2.890	1	0		IFAFRM
Cn1c(=O)[nH]c2ncc(-c3cccc(C(=O)NC[C@H](Cc4ccccc4)C(=O)[O-])c3)cc21	ZINC000073314820	563172430	/nfs/dbraw/zinc/17/24/30/563172430.db2.gz	FMZVNWWLRGOIPX-IBGZPJMESA-N	-1	0	430.464	2.602	1	0		IFAFRM
O=C([O-])C1CCN(c2nc(-c3cc(F)c(Cl)cc3F)nc3c2CS(=O)(=O)C3)CC1	ZINC000095576729	563186058	/nfs/dbraw/zinc/18/60/58/563186058.db2.gz	WERUCVSVXISYIJ-UHFFFAOYSA-N	-1	0	443.859	2.805	1	0		IFAFRM
COc1cc([C@@H]2c3cc4c(cc3C3=NOC[C@H]3[C@@H]2C(=O)[O-])OCO4)cc(OC)c1OC	ZINC000003825646	562938890	/nfs/dbraw/zinc/93/88/90/562938890.db2.gz	CFCCTSIKLGARMK-BKTGTZMESA-N	-1	0	427.409	2.638	1	0		IFAFRM
CCCCNC(=O)CCN(C(=O)[O-])S(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1	ZINC000005809856	562944690	/nfs/dbraw/zinc/94/46/90/562944690.db2.gz	ZKCZFOZTBVMJQA-UHFFFAOYSA-N	-1	0	447.513	2.914	1	0		IFAFRM
CCOC(=O)[C@]1(C(=O)N[C@@H](Cc2ccc(-c3ccccc3OC)cc2)C(=O)[O-])CCCO1	ZINC000013442304	562986487	/nfs/dbraw/zinc/98/64/87/562986487.db2.gz	LHDSVLWAOHWRLU-YADARESESA-N	-1	0	441.480	2.586	1	0		IFAFRM
COc1ccccc1N1CCN(CCn2c([O-])nc3cc(-c4ccccc4)[nH]c3c2=O)CC1	ZINC000013641871	562998395	/nfs/dbraw/zinc/99/83/95/562998395.db2.gz	IRACCOKHRSONQL-UHFFFAOYSA-N	-1	0	445.523	2.928	1	0		IFAFRM
CC(C)CCC(=O)O[C@@H]1C[C@](OCCCc2ccc(Cl)cc2)(C(=O)[O-])C[C@@H](O)[C@H]1O	ZINC000013760881	563005026	/nfs/dbraw/zinc/00/50/26/563005026.db2.gz	RNBMFBFCGYJGTL-DBQGFPOUSA-N	-1	0	442.936	2.976	1	0		IFAFRM
Cc1cc(C)nc(Sc2cc(=O)c3c(O)cc([O-])c([C@H]4CCN(C)C[C@@H]4O)c3o2)n1	ZINC000014945073	563015201	/nfs/dbraw/zinc/01/52/01/563015201.db2.gz	SVSLKZGKLLNZJL-LRDDRELGSA-N	-1	0	429.498	2.542	1	0		IFAFRM
Cc1nc(CC(=O)N[C@@H]2C(=O)N3C(C(=O)[O-])=C(Cl)CS[C@H]23)c(-c2ccccc2)s1	ZINC000026157512	563029146	/nfs/dbraw/zinc/02/91/46/563029146.db2.gz	UDAVMBPRJKNVGG-RDTXWAMCSA-N	-1	0	449.941	2.596	1	0		IFAFRM
O=C(Nc1ccc(Br)cc1)c1c([O-])nc2sc(C(F)(F)F)nn2c1=O	ZINC000026985709	563038593	/nfs/dbraw/zinc/03/85/93/563038593.db2.gz	LBDIPLOMBZXEFU-UHFFFAOYSA-N	-1	0	435.181	2.890	1	0		IFAFRM
O=C([O-])CC[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)NN1CCC2(CCCC2)CC1	ZINC000027215828	563041112	/nfs/dbraw/zinc/04/11/12/563041112.db2.gz	WQMHUYOULHZNOK-SFHVURJKSA-N	-1	0	426.517	2.819	1	0		IFAFRM
O=c1cnn(-c2cc(Cl)c(S(=O)(=O)c3ccc(Cl)cc3)c(Cl)c2)c(=O)[n-]1	ZINC000028763545	563063910	/nfs/dbraw/zinc/06/39/10/563063910.db2.gz	MDASPOIZFJWHCJ-UHFFFAOYSA-N	-1	0	432.672	2.714	1	0		IFAFRM
O=C([O-])c1ccc(Cn2cnc3cnc(C(=O)NCc4ccc(F)cc4)cc3c2=O)cc1	ZINC000029132867	563075882	/nfs/dbraw/zinc/07/58/82/563075882.db2.gz	ZGZIVDBMQNROFU-UHFFFAOYSA-N	-1	0	432.411	2.607	1	0		IFAFRM
CC(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3-c2ccc(F)cc2)CC1	ZINC000029338415	563078339	/nfs/dbraw/zinc/07/83/39/563078339.db2.gz	WPRPIGBLEMXRCK-UHFFFAOYSA-N	-1	0	427.407	2.636	1	0		IFAFRM
CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-]	ZINC000035335174	563089923	/nfs/dbraw/zinc/08/99/23/563089923.db2.gz	VXFJYXUZANRPDJ-BWUHRYBWSA-N	-1	0	430.545	2.773	1	0		IFAFRM
COC(=O)C(CCCc1ccccc1)(Cc1ccc(NS(=O)(=O)[O-])cc1)C(=O)OC	ZINC000036088951	563090777	/nfs/dbraw/zinc/09/07/77/563090777.db2.gz	UPUMRRMPUDAKBN-UHFFFAOYSA-N	-1	0	435.498	2.799	1	0		IFAFRM
COc1ccc(Cn2cc(C(=O)[O-])c(=O)c3cc4c(nc32)N2CCC[C@@H]2CO4)c(OC)c1	ZINC000036472187	563095476	/nfs/dbraw/zinc/09/54/76/563095476.db2.gz	IVEYMCSFVQZFER-CQSZACIVSA-N	-1	0	437.452	2.521	1	0		IFAFRM
O=C1O[C@@H](C[N-]C(=S)C(F)F)CN1c1ccc([C@@H]2C=CS(=O)(=O)CC2)c(F)c1	ZINC000038480346	563097951	/nfs/dbraw/zinc/09/79/51/563097951.db2.gz	IYGUGOJGCZKOCU-PWSUYJOCSA-N	-1	0	434.461	2.749	1	0		IFAFRM
CN(c1ccccc1)c1cc(NCc2ccco2)c(S(=O)(=O)[O-])cc1S(N)(=O)=O	ZINC000039298596	563099097	/nfs/dbraw/zinc/09/90/97/563099097.db2.gz	BLEJFPQYBUHRCD-UHFFFAOYSA-N	-1	0	437.499	2.554	1	0		IFAFRM
O=C(c1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc2nccnc21)N1CCOCC1	ZINC000040575550	563105240	/nfs/dbraw/zinc/10/52/40/563105240.db2.gz	MJRSEXZNNRWJPB-UHFFFAOYSA-N	-1	0	432.889	2.556	1	0		IFAFRM
C[C@H]([NH2+][C@@H](CCc1ccccc1)C(=O)[O-])C(=O)N1C[C@@H](C2CCCCC2)C[C@H]1C(=O)[O-]	ZINC000040801787	563106816	/nfs/dbraw/zinc/10/68/16/563106816.db2.gz	XIDKYOYUSIBSHS-FIRPJDEBSA-N	-1	0	430.545	2.933	1	0		IFAFRM
O=S(=O)([N-]c1cc(Br)ccc1OCCN1CCOCC1)c1ccccc1	ZINC000040834363	563107132	/nfs/dbraw/zinc/10/71/32/563107132.db2.gz	LYNUFILUPRZRBL-UHFFFAOYSA-N	-1	0	441.347	2.961	1	0		IFAFRM
CCO[C@@H](Cc1cccc(C2=NO[C@@H](c3ccc(OS(C)(=O)=O)cc3)C2)c1)C(=O)[O-]	ZINC000040938298	563113137	/nfs/dbraw/zinc/11/31/37/563113137.db2.gz	JNPBOHQFVOEQCH-UXHICEINSA-N	-1	0	433.482	2.923	1	0		IFAFRM
O=S(=O)(C=C1N[N-]C(=S)S1)c1c[nH]cc1S(=O)(=O)c1ccc(Cl)cc1	ZINC000043014410	563116775	/nfs/dbraw/zinc/11/67/75/563116775.db2.gz	IIDCOEGZOVAAHL-UHFFFAOYSA-N	-1	0	435.961	2.615	1	0		IFAFRM
CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(C(=O)/C=C/c4ccco4)CC3)cc21	ZINC000045302783	563129544	/nfs/dbraw/zinc/12/95/44/563129544.db2.gz	XQXDTNLJSZQOBJ-AATRIKPKSA-N	-1	0	439.443	2.814	1	0		IFAFRM
C[C@]1(C(=O)[N-]S(=O)(=O)Cc2ccccc2C(F)(F)F)CCN1C(=O)c1ccco1	ZINC000061928120	563150294	/nfs/dbraw/zinc/15/02/94/563150294.db2.gz	MQSJGUFMVFICIY-QGZVFWFLSA-N	-1	0	430.404	2.549	3	0		IFAFRM
COc1ccc([C@@H](OC(C)=O)[C@H]2COC(=O)C2=C([O-])c2ccc3c(c2)OCO3)cc1OC	ZINC000066259037	563160390	/nfs/dbraw/zinc/16/03/90/563160390.db2.gz	VPEDPWUASQDKTN-GJULWVSJSA-N	-1	0	442.420	2.709	1	0	in-vitro	IFAFRM
O=C([O-])CCn1c(=O)n(Cc2cc(Br)cc3c2CC(=O)N3)c2ccccc21	ZINC000096270252	563196667	/nfs/dbraw/zinc/19/66/67/563196667.db2.gz	FZKNYRXOLCFYLB-UHFFFAOYSA-N	-1	0	430.258	2.583	1	0		IFAFRM
NC(=O)CCCCN1c2ccccc2O[C@H](CCOc2ccccc2CC(=O)[O-])C1=O	ZINC000012358390	132340687	/nfs/dbraw/zinc/34/06/87/132340687.db2.gz	KVKWPAKOYVJKBO-HXUWFJFHSA-N	-1	0	426.469	2.532	1	0		IFAFRM
Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)[O-]	ZINC000009212290	562968178	/nfs/dbraw/zinc/96/81/78/562968178.db2.gz	LQOLIRLGBULYKD-GRDNDAEWSA-N	-1	0	435.889	2.549	1	0		IFAFRM
COc1ccc(S(=O)(=O)N(Cc2cc(C)on2)[C@H](Cc2cccs2)C(=O)[O-])cc1	ZINC000013440870	562986354	/nfs/dbraw/zinc/98/63/54/562986354.db2.gz	WRBHBHCZUGBGPZ-GOSISDBHSA-N	-1	0	436.511	2.940	1	0		IFAFRM
O=C([O-])Cc1nn(Cc2nc(-c3ccccc3Br)no2)c(=O)c2ccccc12	ZINC000013449019	562987137	/nfs/dbraw/zinc/98/71/37/562987137.db2.gz	RGMSNGYTIIEEOW-UHFFFAOYSA-N	-1	0	441.241	2.884	1	0		IFAFRM
O=C([O-])CN(C(=O)CCCOc1ccc2[nH]c3nc(=O)[nH]c-3cc2c1)C1CCCCC1	ZINC000013725674	563001282	/nfs/dbraw/zinc/00/12/82/563001282.db2.gz	MVXMVUXKUBBNTQ-UHFFFAOYSA-N	-1	0	426.473	2.809	1	0		IFAFRM
Cc1cc(C)nc(Sc2cc(=O)c3c(O)cc([O-])c([C@H]4CCN(C)C[C@H]4O)c3o2)n1	ZINC000013834666	563012082	/nfs/dbraw/zinc/01/20/82/563012082.db2.gz	SVSLKZGKLLNZJL-BLLLJJGKSA-N	-1	0	429.498	2.542	1	0		IFAFRM
CC(C)COC(=O)[C@@H]1Cc2ccc(NS(=O)(=O)[O-])cc2CN1C(=O)OC(C)(C)C	ZINC000014952710	563015740	/nfs/dbraw/zinc/01/57/40/563015740.db2.gz	PZNQNEIDPKKXQD-INIZCTEOSA-N	-1	0	428.507	2.762	1	0		IFAFRM
O=C([O-])[C@H](CCc1ccccc1)[NH2+][C@@H]1Cc2ccccc2[C@H]2CCC[C@H](C(=O)[O-])N2C1=O	ZINC000026491212	563032513	/nfs/dbraw/zinc/03/25/13/563032513.db2.gz	MFPBDCIKVMSRDU-DXBBTUNJSA-N	-1	0	436.508	2.794	1	0		IFAFRM
COc1c(N2CC[C@@](N)(C(F)(F)F)C2)c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c21	ZINC000026672222	563035408	/nfs/dbraw/zinc/03/54/08/563035408.db2.gz	GUZHSLPXNPOPKH-SFHVURJKSA-N	-1	0	429.370	2.652	1	0		IFAFRM
COc1c(N2C[C@@H](CO)[C@H](C(F)(F)F)C2)c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c21	ZINC000026732226	563035926	/nfs/dbraw/zinc/03/59/26/563035926.db2.gz	APVAHXILHVTVCR-TVQRCGJNSA-N	-1	0	444.381	2.789	1	0		IFAFRM
CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@H](O)CC(=O)[O-])[C@]21C	ZINC000027186869	563040248	/nfs/dbraw/zinc/04/02/48/563040248.db2.gz	QJQBZYLPTCSSKN-OKMPEYKSSA-N	-1	0	438.561	2.831	1	0		IFAFRM
CC(=O)S[C@H](CC(=O)N1CCC[C@@H]1C(=O)[O-])C(=O)c1ccc(Br)cc1	ZINC000027314209	563041454	/nfs/dbraw/zinc/04/14/54/563041454.db2.gz	OGAYJFQSMSLPAW-ZIAGYGMSSA-N	-1	0	428.304	2.746	1	0		IFAFRM
O=C([O-])C(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(C(=O)c2ccccc2)cc1	ZINC000027520775	563042762	/nfs/dbraw/zinc/04/27/62/563042762.db2.gz	QZGLUUHBLOQISE-NRFANRHFSA-N	-1	0	449.484	2.687	1	0		IFAFRM
CC1(C)S[C@@H]2[C@H](NC(=O)N/C=C/c3ccc(Cl)c(Cl)c3)C(=O)N2[C@H]1C(=O)[O-]	ZINC000028254085	563052376	/nfs/dbraw/zinc/05/23/76/563052376.db2.gz	HZNYOVXGZCDNTN-DGMLJJOVSA-N	-1	0	430.313	2.779	1	0		IFAFRM
[NH3+]CCCC[C@H](O[P@](=O)([O-])CCCCc1ccccc1)C(=O)N1CC=C[C@H]1C(=O)[O-]	ZINC000029239836	563077115	/nfs/dbraw/zinc/07/71/15/563077115.db2.gz	HQSAMEZTFOFYND-OALUTQOASA-N	-1	0	438.461	2.561	1	0		IFAFRM
C=C1c2c(c([O-])c3ncccc3c2OS(=O)(=O)N(C)C)C(=O)N1Cc1ccc(F)cc1	ZINC000038147693	563096398	/nfs/dbraw/zinc/09/63/98/563096398.db2.gz	VTUOOQGXKLBRMW-UHFFFAOYSA-N	-1	0	443.456	2.891	1	0		IFAFRM
C[C@H]1c2c(c([O-])c3ncccc3c2OS(=O)(=O)N(C)C)C(=O)N1Cc1ccc(F)cc1	ZINC000038147692	563096407	/nfs/dbraw/zinc/09/64/07/563096407.db2.gz	ICBVLBQDAJSTNX-LBPRGKRZSA-N	-1	0	445.472	2.982	1	0		IFAFRM
COC(=O)c1c(O)cccc1O[C@H](/C=C/c1cccc(-c2cc(C(=O)[O-])no2)c1)CO	ZINC000038346991	563097526	/nfs/dbraw/zinc/09/75/26/563097526.db2.gz	JHAAKRKBUUYJTG-XVJNWHFHSA-N	-1	0	425.393	2.985	1	0		IFAFRM
NS(=O)(=O)c1cc(S(=O)(=O)[O-])c(NCCc2ccco2)cc1Oc1ccccc1	ZINC000040639433	563105734	/nfs/dbraw/zinc/10/57/34/563105734.db2.gz	OKBJGMFCBFYISQ-UHFFFAOYSA-N	-1	0	438.483	2.621	1	0		IFAFRM
COc1c(O)cc2c(O)c1C[C@H](C)OC(=O)c1c(O)cc([O-])c(Cl)c1CCC(=O)N2	ZINC000040763986	563106481	/nfs/dbraw/zinc/10/64/81/563106481.db2.gz	VNQYIWZZSQQBKT-QMMMGPOBSA-N	-1	0	437.832	2.844	1	0		IFAFRM
Cn1cc(C(=O)[O-])c(=O)c2cc(N)c(N3CCN(c4ccc5ccccc5n4)CC3)cc21	ZINC000049563440	563138980	/nfs/dbraw/zinc/13/89/80/563138980.db2.gz	TYUCZMIACDFFFQ-UHFFFAOYSA-N	-1	0	429.480	2.694	1	0		IFAFRM
Nc1c(F)c(NCCNc2ccccn2)c2c3c1c(=O)c(C(=O)[O-])cn3C1(CCC1)CO2	ZINC000059223388	563146480	/nfs/dbraw/zinc/14/64/80/563146480.db2.gz	LICRTEFFCPRCPL-UHFFFAOYSA-N	-1	0	439.447	2.612	1	0		IFAFRM
C[C@]1(C(=O)[N-]S(=O)(=O)c2ccccc2C(F)(F)F)CCN1C(=O)c1cccc(F)c1	ZINC000061903661	563148004	/nfs/dbraw/zinc/14/80/04/563148004.db2.gz	SIOHRSNHULZOEF-GOSISDBHSA-N	-1	0	444.406	2.954	3	0		IFAFRM
C[C@]1(C(=O)[N-]S(=O)(=O)c2ccc(Cl)s2)CCN1C(=O)CCc1ccccc1	ZINC000061904458	563148174	/nfs/dbraw/zinc/14/81/74/563148174.db2.gz	SWXQCCRTDDDBSK-GOSISDBHSA-N	-1	0	426.947	2.830	3	0		IFAFRM
C[C@@]1(C(=O)[N-]S(=O)(=O)C2CC2)CCCN(C(=O)COc2ccc(Cl)cc2Cl)C1	ZINC000061925995	563149809	/nfs/dbraw/zinc/14/98/09/563149809.db2.gz	FLJNZDMJPYIIMG-GOSISDBHSA-N	-1	0	449.356	2.609	3	0		IFAFRM
O=C([O-])c1ccccc1C(=O)NN1CN(Cc2ccccc2)[C@H](Cc2ccccc2)C1=O	ZINC000064574011	563156448	/nfs/dbraw/zinc/15/64/48/563156448.db2.gz	ILTZQESSZKIDNT-JOCHJYFZSA-N	-1	0	429.476	2.943	1	0		IFAFRM
Cc1csc2c1c(CC(=O)[O-])c(C)n2S(=O)(=O)c1ccc(S(C)(=O)=O)cc1	ZINC000066078134	563157783	/nfs/dbraw/zinc/15/77/83/563157783.db2.gz	YINGPSXDGAFHHI-UHFFFAOYSA-N	-1	0	427.525	2.587	1	0		IFAFRM
COc1c(N2CCN(CCC#N)[C@H](C)C2)c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c21	ZINC000072114404	563163627	/nfs/dbraw/zinc/16/36/27/563163627.db2.gz	UFDASJCTOAXZCC-CYBMUJFWSA-N	-1	0	428.464	2.606	1	0		IFAFRM
CC1(C)Cn2cc(C(=O)[O-])c(=O)c3c(N)c(F)c(NCCNc4ccccn4)c(c32)O1	ZINC000072122879	563164022	/nfs/dbraw/zinc/16/40/22/563164022.db2.gz	VIIBSAKUAWPNFP-UHFFFAOYSA-N	-1	0	427.436	2.511	1	0		IFAFRM
Fc1ccc(Br)c(OC2CCN(c3nnc(-c4nnn[n-]4)s3)CC2)c1	ZINC000095576590	563186011	/nfs/dbraw/zinc/18/60/11/563186011.db2.gz	VJYMDTMHJYNRJZ-UHFFFAOYSA-N	-1	0	426.275	2.668	1	0		IFAFRM
C[C@@H]1CC[C@@H](COc2ccc(F)cn2)CN1C(=O)c1cc(C(=O)[O-])ccc1-n1nccn1	ZINC000096175591	563196265	/nfs/dbraw/zinc/19/62/65/563196265.db2.gz	GQCGSCPIPUSUBF-HUUCEWRRSA-N	-1	0	439.447	2.819	1	0		IFAFRM
NC(=O)CCCCCN1c2ccccc2O[C@H](CCOc2ccccc2CC(=O)[O-])C1=O	ZINC000012358392	132340866	/nfs/dbraw/zinc/34/08/66/132340866.db2.gz	OAFBFGLRYISABR-OAQYLSRUSA-N	-1	0	440.496	2.923	1	0		IFAFRM
CCCC[C@@H](Sc1cc(Cl)c(C)cc1S(=O)(=O)[N-]c1nc(N)n[nH]1)C(=O)OC	ZINC000005729355	562944538	/nfs/dbraw/zinc/94/45/38/562944538.db2.gz	LEJYVRSJMLWXKX-LLVKDONJSA-N	-1	0	447.970	2.973	1	0		IFAFRM
COc1cccc(OC)c1-c1ccc(C[C@H](NC(=O)[C@]2(C)O[C@H](C)CC2=O)C(=O)[O-])cc1	ZINC000013442325	562986506	/nfs/dbraw/zinc/98/65/06/562986506.db2.gz	KSRNGDACGBIPKZ-DJJPGOOVSA-N	-1	0	441.480	2.619	1	0		IFAFRM
CC(=O)N1CSC[C@H]1C(=O)N/C(=C\c1ccc(OCc2ccccc2)cc1)C(=O)[O-]	ZINC000013488050	562989613	/nfs/dbraw/zinc/98/96/13/562989613.db2.gz	ILRYTHRHHMWEFM-FJZBCQJGSA-N	-1	0	426.494	2.729	1	0		IFAFRM
O=C([O-])[C@H]1[C@H](Cn2nnc3ccccc3c2=O)CC[C@@H]1Sc1ccc(-c2cn[nH]n2)cc1	ZINC000013525897	562991659	/nfs/dbraw/zinc/99/16/59/562991659.db2.gz	CJLBNTMKOCAXSY-GKCIPKSASA-N	-1	0	448.508	2.848	1	0		IFAFRM
CN1CCN(c2c(F)cc3c(=O)c(C(=O)[O-])c4scc5n4c3c2N(C2CC2)C5)CC1	ZINC000013600098	562996732	/nfs/dbraw/zinc/99/67/32/562996732.db2.gz	SGMLHYAZESCTCP-UHFFFAOYSA-N	-1	0	428.489	2.586	1	0		IFAFRM
Nc1ccc(C[C@H](C(=O)[O-])c2cn(C[C@@H]3CCCCN3C(=O)c3ccccc3)cn2)cn1	ZINC000013985373	563014292	/nfs/dbraw/zinc/01/42/92/563014292.db2.gz	DXPCOTQKAXKFMI-PMACEKPBSA-N	-1	0	433.512	2.966	1	0		IFAFRM
CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@H](O)C[C@H](O)CC(=O)[O-])[C@]21C	ZINC000027186872	563040212	/nfs/dbraw/zinc/04/02/12/563040212.db2.gz	QJQBZYLPTCSSKN-KPNLZMSGSA-N	-1	0	438.561	2.831	1	0		IFAFRM
O=C([O-])[C@@H](CCc1ccccc1)[NH2+][C@@H]1Cc2ccccc2[C@H]2CCC[C@@H](C(=O)[O-])N2C1=O	ZINC000027558903	563043996	/nfs/dbraw/zinc/04/39/96/563043996.db2.gz	MFPBDCIKVMSRDU-YSFYHYPLSA-N	-1	0	436.508	2.794	1	0		IFAFRM
O=C([O-])[C@@H](CCc1ccccc1)[NH2+][C@H]1Cc2ccccc2[C@H]2CCC[C@@H](C(=O)[O-])N2C1=O	ZINC000027558907	563044037	/nfs/dbraw/zinc/04/40/37/563044037.db2.gz	MFPBDCIKVMSRDU-MBDNFAEBSA-N	-1	0	436.508	2.794	1	0		IFAFRM
CCOC(=O)[C@@H](CCc1ccccc1)N[C@H](C)C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	ZINC000028021065	563050114	/nfs/dbraw/zinc/05/01/14/563050114.db2.gz	VXFJYXUZANRPDJ-VLQCVTHLSA-N	-1	0	430.545	2.773	1	0		IFAFRM
CC(C)C[C@H]([NH2+][C@H](Cc1ccccc1)N[P@](=O)([O-])CNC(=O)c1ccccc1)C(=O)[O-]	ZINC000028225508	563051806	/nfs/dbraw/zinc/05/18/06/563051806.db2.gz	INFXCMLEECQQJD-PMACEKPBSA-N	-1	0	447.472	2.807	1	0		IFAFRM
COc1cc(Cc2cnc(N)nc2N)cc(OCCCCC(=O)[O-])c1Br	ZINC000029207290	563076541	/nfs/dbraw/zinc/07/65/41/563076541.db2.gz	KRCWWXNWWWXXLR-UHFFFAOYSA-N	-1	0	425.283	2.637	1	0		IFAFRM
CN(C[C@@H](O)COc1ccc(C[C@H]2SC(=O)[N-]C2=O)cc1)c1nc2ccccc2o1	ZINC000034106743	563085533	/nfs/dbraw/zinc/08/55/33/563085533.db2.gz	RYKNFTVIRIANLP-RDTXWAMCSA-N	-1	0	427.482	2.598	1	0		IFAFRM
CN(C[C@H](O)COc1ccc(C[C@H]2SC(=O)[N-]C2=O)cc1)c1nc2ccccc2o1	ZINC000034106741	563085573	/nfs/dbraw/zinc/08/55/73/563085573.db2.gz	RYKNFTVIRIANLP-KBXCAEBGSA-N	-1	0	427.482	2.598	1	0		IFAFRM
O=C1O[C@@H](C[N-]C(=S)C(F)F)CN1c1ccc([C@H]2C=CS(=O)(=O)CC2)c(F)c1	ZINC000038480345	563097966	/nfs/dbraw/zinc/09/79/66/563097966.db2.gz	IYGUGOJGCZKOCU-JQWIXIFHSA-N	-1	0	434.461	2.749	1	0		IFAFRM
Cc1cccc(Oc2cc(NCc3ccco3)c(S(=O)(=O)[O-])cc2S(N)(=O)=O)c1	ZINC000039378679	563099208	/nfs/dbraw/zinc/09/92/08/563099208.db2.gz	NOHZGUDGYBCTJR-UHFFFAOYSA-N	-1	0	438.483	2.887	1	0		IFAFRM
COc1ccc(/C=C/C(=O)N[C@@H](CCC(=O)[O-])C(=O)Nc2ccccc2F)cc1OC	ZINC000040407245	563101475	/nfs/dbraw/zinc/10/14/75/563101475.db2.gz	NTWBLXIKHNDWTO-YRYLYKBFSA-N	-1	0	430.432	2.844	1	0		IFAFRM
C[C@H]1COCCN1C(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc2nccnc21	ZINC000040764463	563106628	/nfs/dbraw/zinc/10/66/28/563106628.db2.gz	GTFGMVIPJXVJOV-ZDUSSCGKSA-N	-1	0	446.916	2.945	1	0		IFAFRM
Cc1cccc(Nc2cc(NCc3ccco3)c(S(=O)(=O)[O-])cc2S(N)(=O)=O)c1	ZINC000040812512	563106881	/nfs/dbraw/zinc/10/68/81/563106881.db2.gz	ZWWNIZDIZSSLLB-UHFFFAOYSA-N	-1	0	437.499	2.838	1	0		IFAFRM
Cc1oc(-c2cccc(N3CCOCC3)c2)nc1C(=O)N(CC(=O)[O-])Cc1ccccn1	ZINC000040934149	563112366	/nfs/dbraw/zinc/11/23/66/563112366.db2.gz	WHVVLMAHOBDDQG-UHFFFAOYSA-N	-1	0	436.468	2.609	1	0		IFAFRM
O=C([O-])c1ccc(Cn2nnc(-c3ccnc(C(=O)NCc4cccc(F)c4)c3)n2)cc1	ZINC000045348763	563132069	/nfs/dbraw/zinc/13/20/69/563132069.db2.gz	VMAHZFWSXKJIIT-UHFFFAOYSA-N	-1	0	432.415	2.551	1	0	in-vitro	IFAFRM
Cc1cc(-c2nnn(Cc3ccc(C(=O)[O-])cc3)n2)cc(C(=O)NCc2ccccc2)n1	ZINC000045354560	563132508	/nfs/dbraw/zinc/13/25/08/563132508.db2.gz	NGSHRTUKGSZFAB-UHFFFAOYSA-N	-1	0	428.452	2.720	1	0		IFAFRM
C[C@@]1(C(=O)[N-]S(=O)(=O)c2ccc(Cl)s2)CCN1C(=O)CCc1ccccc1	ZINC000061904459	563148159	/nfs/dbraw/zinc/14/81/59/563148159.db2.gz	SWXQCCRTDDDBSK-SFHVURJKSA-N	-1	0	426.947	2.830	3	0		IFAFRM
C[C@]1(C(=O)[N-]S(=O)(=O)c2ccccc2)CCN1C(=O)C1(c2ccc(Cl)cc2)CC1	ZINC000061906368	563148551	/nfs/dbraw/zinc/14/85/51/563148551.db2.gz	LPDXOTGQXWEODN-HXUWFJFHSA-N	-1	0	432.929	2.868	3	0		IFAFRM
C[C@]1(C(=O)[N-]S(=O)(=O)c2ccc(Cl)s2)CCN1C(=O)Cc1cc(F)ccc1F	ZINC000061930002	563150547	/nfs/dbraw/zinc/15/05/47/563150547.db2.gz	VEBNDBACALDDIR-QGZVFWFLSA-N	-1	0	448.900	2.718	3	0		IFAFRM
COc1ccc(S(=O)(=O)N(C)[C@@H]2CCc3c(CC(=O)[O-])c4ccccc4n3C2)cc1	ZINC000066104511	563158671	/nfs/dbraw/zinc/15/86/71/563158671.db2.gz	FABSXONIHXZYLC-OAHLLOKOSA-N	-1	0	428.510	2.913	1	0		IFAFRM
O=C([O-])CN1CN(Cc2ccc(Br)cc2F)c2ccccc2S1(=O)=O	ZINC000066258716	563160329	/nfs/dbraw/zinc/16/03/29/563160329.db2.gz	QQHFMOUFLWFOCC-UHFFFAOYSA-N	-1	0	429.267	2.641	1	0		IFAFRM
O=C([O-])c1cccc(S(=O)(=O)N2CCc3ccc(I)cc3C2)c1	ZINC000095552691	563180891	/nfs/dbraw/zinc/18/08/91/563180891.db2.gz	XTWKXCBGPGMXJG-UHFFFAOYSA-N	-1	0	443.262	2.736	1	0		IFAFRM
CNC(=O)c1nc(-c2ccc(Cl)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)cnc1N	ZINC000095572462	563184785	/nfs/dbraw/zinc/18/47/85/563184785.db2.gz	FIWUANPUEQNRJI-UHFFFAOYSA-N	-1	0	431.905	2.848	1	0		IFAFRM
O=C([O-])[C@H]1CCC[C@@H]1C(=O)N1CCc2ccccc2[C@H]1CN1C(=O)c2ccccc2C1=O	ZINC000095872218	563194683	/nfs/dbraw/zinc/19/46/83/563194683.db2.gz	VLYHLCQLLVPWJM-PCCBWWKXSA-N	-1	0	432.476	2.910	1	0		IFAFRM
CN1C(=O)c2cc(NC(=O)c3cccc(F)c3)ccc2OC[C@H]2O[C@@H](CC(=O)[O-])CC[C@H]21	ZINC000095891688	563194940	/nfs/dbraw/zinc/19/49/40/563194940.db2.gz	WRKYVIHZIFPYOT-YVWKXTFCSA-N	-1	0	442.443	2.933	1	0		IFAFRM
O=C([O-])[C@H](CCc1ccccc1)[NH2+][C@H]1Cc2ccccc2[C@H]2CCC[C@@H](C(=O)[O-])N2C1=O	ZINC000003779864	562937718	/nfs/dbraw/zinc/93/77/18/562937718.db2.gz	MFPBDCIKVMSRDU-KJJMTIBFSA-N	-1	0	436.508	2.794	1	0		IFAFRM
O=C([O-])CCC(=O)N1CCc2cc(S(=O)(=O)N3CC=C(c4ccccc4)CC3)ccc21	ZINC000006577167	562947472	/nfs/dbraw/zinc/94/74/72/562947472.db2.gz	IKBSNEQPMPPUCB-UHFFFAOYSA-N	-1	0	440.521	2.919	3	0		IFAFRM
CN1CCN(C(=O)Oc2ccc(C[C@H](NC(=O)c3ccccc3Cl)C(=O)[O-])cc2)CC1	ZINC000013818770	563009703	/nfs/dbraw/zinc/00/97/03/563009703.db2.gz	KKZBAYODMNBMQJ-IBGZPJMESA-N	-1	0	445.903	2.512	1	0		IFAFRM
Cc1ccc(C(=C(/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])c2nnnn2C)c2ccc(C)cc2)cc1	ZINC000026821844	563036907	/nfs/dbraw/zinc/03/69/07/563036907.db2.gz	NGRGCMGUZOTSSW-DDVDASKDSA-N	-1	0	448.523	2.929	1	0		IFAFRM
CN(Cc1nc2ccccc2s1)C(=O)c1ccc2c(c1)CN(C)C(=O)[C@H](CC(=O)[O-])N2	ZINC000026957953	563038240	/nfs/dbraw/zinc/03/82/40/563038240.db2.gz	GMUHKTPTGLHTHJ-KRWDZBQOSA-N	-1	0	438.509	2.796	1	0		IFAFRM
O=C([O-])[C@H](Cc1ccc(O)cc1)NC(=O)C(=O)c1c[nH]c2ccc(Br)cc21	ZINC000027558578	563044050	/nfs/dbraw/zinc/04/40/50/563044050.db2.gz	SNHLKIVQPIKUGK-INIZCTEOSA-N	-1	0	431.242	2.631	1	0		IFAFRM
CC(C)C[C@H](CSCC(=O)[O-])NC(=O)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1	ZINC000028018675	563049969	/nfs/dbraw/zinc/04/99/69/563049969.db2.gz	KRIKXFUPXOJMHX-SJORKVTESA-N	-1	0	436.530	2.663	1	0		IFAFRM
O=C([O-])[C@H]1CCCN1C(=O)CCCC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1	ZINC000028109403	563050847	/nfs/dbraw/zinc/05/08/47/563050847.db2.gz	OCCYDXOFQKDGHX-NHCUHLMSSA-N	-1	0	436.508	2.843	1	0		IFAFRM
CN1CCN(c2c(F)c(F)c3c(=O)c(C(=O)[O-])cn(-c4ccc(F)cc4)c3c2F)CC1	ZINC000028759639	563063605	/nfs/dbraw/zinc/06/36/05/563063605.db2.gz	ITDXLXVEQCNFLY-UHFFFAOYSA-N	-1	0	435.377	2.997	1	0		IFAFRM
CCOC(=O)[C@@H](CCC(=O)N1c2ccccc2C[C@H]1C(=O)[O-])NC(=O)Oc1ccccc1	ZINC000029343468	563078569	/nfs/dbraw/zinc/07/85/69/563078569.db2.gz	LYFGJNRPUHJKNH-MJGOQNOKSA-N	-1	0	440.452	2.529	1	0		IFAFRM
CN1CCN(c2c(F)c(-n3cccc3)c3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2F)CC1	ZINC000029399358	563079228	/nfs/dbraw/zinc/07/92/28/563079228.db2.gz	JSUOUYGFNYXRDC-UHFFFAOYSA-N	-1	0	428.439	2.855	1	0		IFAFRM
CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CCc1ccccc1)C[C@H](C)C(=O)[O-]	ZINC000029472462	563080728	/nfs/dbraw/zinc/08/07/28/563080728.db2.gz	DVQPRCBYYWFDFC-WEYGHZABSA-N	-1	0	440.540	2.828	1	0		IFAFRM
CCC(C)(CC)OC(=O)CCNC(=O)C1=NO[C@@H](C([O-])(C(F)(F)F)C(F)(F)F)C1	ZINC000034630865	563086601	/nfs/dbraw/zinc/08/66/01/563086601.db2.gz	RDFDOTFEEZLXTI-SNVBAGLBSA-N	-1	0	436.349	2.615	1	0		IFAFRM
CCOC(=O)[C@@H](CCc1ccccc1)N[C@@H]1CSc2ccccc2N(CC(=O)[O-])C1=O	ZINC000039627922	563099177	/nfs/dbraw/zinc/09/91/77/563099177.db2.gz	JHCMSDHPXGWVKN-QZTJIDSGSA-N	-1	0	442.537	2.733	1	0		IFAFRM
COc1c(O)cc2c(O)c1C[C@@H](C)OC(=O)c1c(O)cc([O-])c(Cl)c1CCC(=O)N2	ZINC000040763985	563106485	/nfs/dbraw/zinc/10/64/85/563106485.db2.gz	VNQYIWZZSQQBKT-MRVPVSSYSA-N	-1	0	437.832	2.844	1	0		IFAFRM
CO[C@@H]1[C@H](OC(=O)N2CCC(C(=O)[O-])CC2)CC[C@]2(CO2)[C@@H]1[C@@]1(C)O[C@@H]1CC=C(C)C	ZINC000045301699	563129318	/nfs/dbraw/zinc/12/93/18/563129318.db2.gz	BGHTVZDZACAUFT-QHZMACHJSA-N	-1	0	437.533	2.996	1	0		IFAFRM
COc1cc2c(cc1OC)C(=O)N1C=C(c3ccc(F)cc3)C[C@H]1[C@H](S(=O)(=O)[O-])N2	ZINC000049803419	563140139	/nfs/dbraw/zinc/14/01/39/563140139.db2.gz	WUDJZYKQXGHSAM-LPHOPBHVSA-N	-1	0	434.445	2.738	1	0		IFAFRM
C[C@]1(C(=O)[N-]S(=O)(=O)c2ccc(F)cc2F)CCN1C(=O)C/C=C/c1ccccc1	ZINC000061903514	563147930	/nfs/dbraw/zinc/14/79/30/563147930.db2.gz	HPGGXEAHBALWTO-WKOQKXSESA-N	-1	0	434.464	2.864	3	0		IFAFRM
Cc1cc(C)cc(CC(=O)N2CC[C@]2(C)C(=O)[N-]S(=O)(=O)c2ccccc2Cl)c1	ZINC000061906989	563148671	/nfs/dbraw/zinc/14/86/71/563148671.db2.gz	PJLRZUCKDKXLBN-OAQYLSRUSA-N	-1	0	434.945	2.995	3	0		IFAFRM
C[C@@]1(C(=O)[N-]S(=O)(=O)Cc2ccccc2C(F)(F)F)CCN1C(=O)c1ccco1	ZINC000061928121	563150295	/nfs/dbraw/zinc/15/02/95/563150295.db2.gz	MQSJGUFMVFICIY-KRWDZBQOSA-N	-1	0	430.404	2.549	3	0		IFAFRM
C[C@]1(C(=O)[N-]S(=O)(=O)c2cccs2)CCN1C(=O)C1(c2ccc(Cl)cc2)CC1	ZINC000061926695	563149973	/nfs/dbraw/zinc/14/99/73/563149973.db2.gz	CDFCSMSWRFEZOG-GOSISDBHSA-N	-1	0	438.958	2.929	3	0		IFAFRM
CCCS(=O)(=O)[N-]C(=O)[C@]1(C)CCCN(C(=O)c2ccccc2Br)C1	ZINC000061928663	563150382	/nfs/dbraw/zinc/15/03/82/563150382.db2.gz	VJBMBJMYDSZIRB-QGZVFWFLSA-N	-1	0	431.352	2.547	3	0		IFAFRM
Cn1c(=O)[nH]c2ncc(-c3cccc(C(=O)NCCCc4ccccc4C(=O)[O-])c3)cc21	ZINC000073294154	563171984	/nfs/dbraw/zinc/17/19/84/563171984.db2.gz	JTEJQCFKTJUZAW-UHFFFAOYSA-N	-1	0	430.464	2.989	1	0		IFAFRM
CC(C)(Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1)C(=O)[N-]S(C)(=O)=O	ZINC000095574074	563185283	/nfs/dbraw/zinc/18/52/83/563185283.db2.gz	VKJKZTOFMLIMTB-UHFFFAOYSA-N	-1	0	438.933	2.546	1	0		IFAFRM
CNC(=O)c1nc(-c2ccc(Cl)c(S(=O)(=O)[N-]c3cccc(OC)c3)c2)cnc1N	ZINC000095577741	563186459	/nfs/dbraw/zinc/18/64/59/563186459.db2.gz	WFDFSRCBAVJPOB-UHFFFAOYSA-N	-1	0	447.904	2.548	1	0		IFAFRM
O=C([O-])[C@H](CCc1ccccc1)[NH2+][C@@H]1Cc2ccccc2[C@@H]2CCC[C@H](C(=O)[O-])N2C1=O	ZINC000001552162	562922839	/nfs/dbraw/zinc/92/28/39/562922839.db2.gz	MFPBDCIKVMSRDU-LNRXMEIDSA-N	-1	0	436.508	2.794	1	0		IFAFRM
CC(C)NC(=O)CCN(C(=O)[O-])S(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1	ZINC000001627741	562923345	/nfs/dbraw/zinc/92/33/45/562923345.db2.gz	LFPXNUQWNVOCGG-UHFFFAOYSA-N	-1	0	433.486	2.522	1	0		IFAFRM
COc1cc([C@@H](c2ccc3c(c2)OCO3)N2C(=O)CC[C@H]2C(=O)[O-])cc(OC)c1OC	ZINC000001645040	562923602	/nfs/dbraw/zinc/92/36/02/562923602.db2.gz	WCESIUPIBSZELE-VBKZILBWSA-N	-1	0	429.425	2.606	1	0		IFAFRM
COc1cc([C@@H](c2ccc3c(c2)OCO3)N2C(=O)CC[C@@H]2C(=O)[O-])cc(OC)c1OC	ZINC000001645038	562923659	/nfs/dbraw/zinc/92/36/59/562923659.db2.gz	WCESIUPIBSZELE-JLTOFOAXSA-N	-1	0	429.425	2.606	1	0		IFAFRM
O=C([N-]C[C@@H](NS(=O)(=O)OCC(Cl)(Cl)Cl)c1ccccc1)C(F)(F)F	ZINC000012473225	562982193	/nfs/dbraw/zinc/98/21/93/562982193.db2.gz	HQKMNRGEMWIHBN-SECBINFHSA-N	-1	0	443.658	2.627	3	0		IFAFRM
Cc1c2cc(F)ccc2sc1S(=O)(=O)[N-]c1ccc(C(N)=O)cc1S(C)(=O)=O	ZINC000013587581	562995718	/nfs/dbraw/zinc/99/57/18/562995718.db2.gz	ZTXDRKWUNUPNLZ-UHFFFAOYSA-N	-1	0	442.515	2.652	1	0		IFAFRM
CCc1c(C(=O)C(N)=O)c2c(cccc2N(CCC(=O)[O-])C(C)=O)n1Cc1ccccc1	ZINC000013605140	562997114	/nfs/dbraw/zinc/99/71/14/562997114.db2.gz	JNFRMYNRTOMQRI-UHFFFAOYSA-N	-1	0	435.480	2.748	1	0		IFAFRM
C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CC[C@@H]1OC3(CC=C12)C(=O)[N-]C(=O)NC3=O	ZINC000013651638	562999293	/nfs/dbraw/zinc/99/92/93/562999293.db2.gz	XMHOHVNPOLECAR-CVDCTZTESA-N	-1	0	448.454	2.571	1	0		IFAFRM
O=C([O-])C(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(-c2ccccn2)s1	ZINC000013797863	563007607	/nfs/dbraw/zinc/00/76/07/563007607.db2.gz	YXXPZIJDDIJKDH-MRXNPFEDSA-N	-1	0	428.491	2.579	1	0		IFAFRM
COCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1nc(C)ncc1C(=O)[O-]	ZINC000013832799	563011401	/nfs/dbraw/zinc/01/14/01/563011401.db2.gz	UJRHILJVNPARFI-UHFFFAOYSA-N	-1	0	445.483	2.983	1	0		IFAFRM
O=C([O-])CN1C(=O)[C@@]2(CC(=O)N(Cc3ccc(Cl)cc3)C2=O)c2cc(Cl)ccc21	ZINC000014976640	563017008	/nfs/dbraw/zinc/01/70/08/563017008.db2.gz	SBBKJNZAFBHKLP-HXUWFJFHSA-N	-1	0	433.247	2.622	1	0		IFAFRM
CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(CC(=O)c4ccccc4)CC3)cc21	ZINC000026148786	563028898	/nfs/dbraw/zinc/02/88/98/563028898.db2.gz	ANQQUAPMHWEJAU-UHFFFAOYSA-N	-1	0	437.471	2.864	1	0		IFAFRM
Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@H](NS(C)(=O)=O)C(=O)[O-])cc1	ZINC000026833155	563037199	/nfs/dbraw/zinc/03/71/99/563037199.db2.gz	DFSWOTWJGYLTOW-FQEVSTJZSA-N	-1	0	444.509	2.816	1	0		IFAFRM
O=C([O-])CC[C@@H](NC(=O)c1cnc2ccccc2c1)C(=O)NN1CCC2(CCCC2)CC1	ZINC000027211097	563040920	/nfs/dbraw/zinc/04/09/20/563040920.db2.gz	XGRDOTJWNKDMRJ-HXUWFJFHSA-N	-1	0	438.528	2.885	1	0		IFAFRM
COc1ccc(CCC(=O)c2c(O)cc(OCCC[P@@](=O)([O-])O)cc2O)cc1O	ZINC000027425444	563042203	/nfs/dbraw/zinc/04/22/03/563042203.db2.gz	QZCQLDNUGVQVDR-UHFFFAOYSA-N	-1	0	426.358	2.574	1	0		IFAFRM
CC(C)[C@@H](NC(=O)[C@@H]1O[C@@H]1[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)[O-]	ZINC000027658035	563045436	/nfs/dbraw/zinc/04/54/36/563045436.db2.gz	CWDRFKNQJRTHQB-DOIPELPJSA-N	-1	0	440.496	2.517	1	0		IFAFRM
CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NCC(=O)[O-])C(=O)Nc1ccccc1	ZINC000027889046	563047949	/nfs/dbraw/zinc/04/79/49/563047949.db2.gz	IEJUQNIPUKZOAL-SFTDATJTSA-N	-1	0	425.529	2.832	1	0		IFAFRM
CC(C)C[C@@H](CSCC(=O)[O-])NC(=O)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1	ZINC000028018670	563049947	/nfs/dbraw/zinc/04/99/47/563049947.db2.gz	KRIKXFUPXOJMHX-IRXDYDNUSA-N	-1	0	436.530	2.663	1	0		IFAFRM
CC(C)C[C@@H](CSCC(=O)[O-])NC(=O)[C@H]1CCC(=O)N1C(=O)OCc1ccccc1	ZINC000028018680	563049970	/nfs/dbraw/zinc/04/99/70/563049970.db2.gz	KRIKXFUPXOJMHX-DLBZAZTESA-N	-1	0	436.530	2.663	1	0		IFAFRM
O=C([O-])[C@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1	ZINC000028817878	563064856	/nfs/dbraw/zinc/06/48/56/563064856.db2.gz	NBNFKQYGXDDSSQ-JYJNAYRXSA-N	-1	0	449.356	2.906	1	0		IFAFRM
COc1cccc(C(=O)N[C@H](CC(=O)[O-])C(=O)CF)c1NC(=O)OCc1ccccc1	ZINC000028825319	563066225	/nfs/dbraw/zinc/06/62/25/563066225.db2.gz	RYUJDMGYZQEXSO-OAHLLOKOSA-N	-1	0	432.404	2.556	1	0		IFAFRM
CC(=O)[N-]S(=O)(=O)c1ccc(-n2cc(-c3ccccc3)c3c4nc(C)nn4cnc32)cc1	ZINC000029132274	563075731	/nfs/dbraw/zinc/07/57/31/563075731.db2.gz	JUHQZDBBJZAOCQ-UHFFFAOYSA-N	-1	0	446.492	2.868	1	0		IFAFRM
CC(=O)N[C@@H]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3-c2ccc(F)cc2)C1	ZINC000029341240	563078439	/nfs/dbraw/zinc/07/84/39/563078439.db2.gz	URXJABSIYDEKKS-CQSZACIVSA-N	-1	0	427.407	2.682	1	0		IFAFRM
CCOC(=O)[C@@H](CCc1ccccc1)N[C@H](C)C(=O)N1[C@@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	ZINC000031274444	563083242	/nfs/dbraw/zinc/08/32/42/563083242.db2.gz	VXFJYXUZANRPDJ-KPACCLEDSA-N	-1	0	430.545	2.773	1	0		IFAFRM
O=C([O-])c1cc2cc(I)cc(I)c2oc1=O	ZINC000034540522	563086381	/nfs/dbraw/zinc/08/63/81/563086381.db2.gz	CMBVBZQPXISBGS-UHFFFAOYSA-N	-1	0	441.946	2.700	1	0		IFAFRM
O=C([O-])COc1ccc(Cl)cc1CN1CCCN(S(=O)(=O)c2ccccc2)CC1	ZINC000035879637	563090306	/nfs/dbraw/zinc/09/03/06/563090306.db2.gz	QPKLSOHWYXCVTB-UHFFFAOYSA-N	-1	0	438.933	2.700	1	0		IFAFRM
O=C(c1nc(-c2nnc(Cc3ccc(F)cc3)o2)c([O-])c2ncccc12)N1CCOCC1	ZINC000040392256	563099949	/nfs/dbraw/zinc/09/99/49/563099949.db2.gz	CXKBBHHWTVXIFW-UHFFFAOYSA-N	-1	0	435.415	2.588	1	0		IFAFRM
CN(c1cc(NCc2ccco2)c(S(=O)(=O)[O-])cc1S(N)(=O)=O)C1CCCCC1	ZINC000040505445	563104206	/nfs/dbraw/zinc/10/42/06/563104206.db2.gz	KBSVDJSVMVHMHT-UHFFFAOYSA-N	-1	0	443.547	2.555	1	0		IFAFRM
CC(C)C[C@H]([NH2+][C@@H](CCc1ccccc1)C(=O)[O-])C(=O)N[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000040651222	563105826	/nfs/dbraw/zinc/10/58/26/563105826.db2.gz	YUTFDOKLZTWOIW-FDFHNCONSA-N	-1	0	440.540	2.889	1	0		IFAFRM
COc1ccccc1N1CCN(c2cc3c(cc2N)c(=O)c(C(=O)[O-])cn3C2CC2)CC1	ZINC000049771964	563139460	/nfs/dbraw/zinc/13/94/60/563139460.db2.gz	AKBWKGHPAQXOGE-UHFFFAOYSA-N	-1	0	434.496	2.952	1	0		IFAFRM
Cc1c(N2CCC3=C(C2)[C@H](O)CCS3)c(N)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c12	ZINC000049777145	563139543	/nfs/dbraw/zinc/13/95/43/563139543.db2.gz	BQFJLYPOUZVCLX-QGZVFWFLSA-N	-1	0	427.526	2.887	1	0		IFAFRM
C[C@@]1(C(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2)CCN1C(=O)Cc1cc(F)ccc1F	ZINC000061905308	563148337	/nfs/dbraw/zinc/14/83/37/563148337.db2.gz	SJSWNVPWUFTEMW-IBGZPJMESA-N	-1	0	442.871	2.657	3	0		IFAFRM
C[C@@]1(C(=O)[N-]S(=O)(=O)c2ccccc2)CCN1C(=O)C1(c2ccc(Cl)cc2)CC1	ZINC000061906369	563148546	/nfs/dbraw/zinc/14/85/46/563148546.db2.gz	LPDXOTGQXWEODN-FQEVSTJZSA-N	-1	0	432.929	2.868	3	0		IFAFRM
C[C@]1(C(=O)[N-]S(=O)(=O)c2ccccc2)CCN1C(=O)C1(c2ccccc2)CCCC1	ZINC000061930426	563150672	/nfs/dbraw/zinc/15/06/72/563150672.db2.gz	QMBHZTJLQDBTOW-JOCHJYFZSA-N	-1	0	426.538	2.995	3	0		IFAFRM
O=c1[nH]cnc2c1c(-c1ccccc1)cn2-c1ccc(S(=O)(=O)[N-]c2ccccn2)cc1	ZINC000064526759	563154438	/nfs/dbraw/zinc/15/44/38/563154438.db2.gz	UFOBKWXDTLFVDC-UHFFFAOYSA-N	-1	0	443.488	3.577	1	0		IFAFRM
Cn1c(=O)[nH]c2ncc(-c3cccc(C(=O)N[C@H](CCc4ccccc4)C(=O)[O-])c3)cc21	ZINC000073310734	563172269	/nfs/dbraw/zinc/17/22/69/563172269.db2.gz	RRRCPTXVLMYSGV-LJQANCHMSA-N	-1	0	430.464	2.744	1	0		IFAFRM
O=C([O-])[C@@H]1CCC[C@@H]1C(=O)N1CCc2ccccc2[C@H]1CN1C(=O)c2ccccc2C1=O	ZINC000095872220	563194625	/nfs/dbraw/zinc/19/46/25/563194625.db2.gz	VLYHLCQLLVPWJM-PWRODBHTSA-N	-1	0	432.476	2.910	1	0		IFAFRM
CN1C(=O)c2cc(NC(=O)c3cccc(F)c3)ccc2OC[C@H]2O[C@@H](CC(=O)[O-])CC[C@@H]21	ZINC000095891685	563194967	/nfs/dbraw/zinc/19/49/67/563194967.db2.gz	WRKYVIHZIFPYOT-IMFGXOCKSA-N	-1	0	442.443	2.933	1	0		IFAFRM
COc1cc(CCC(=O)C[C@@H](CCc2ccc(O)c(OC)c2)S(=O)(=O)[O-])ccc1O	ZINC000013377955	291345501	/nfs/dbraw/zinc/34/55/01/291345501.db2.gz	MWOFQBPRQXZTQC-QGZVFWFLSA-N	-1	0	438.498	2.896	1	0	biogenic,in-vitro	IFAFRM
O=C([O-])C[C@H](O)C[C@H](O)/C=C/C(=C(c1ccc(F)cc1)c1ccc(F)cc1)n1cnnn1	ZINC000003801965	562938309	/nfs/dbraw/zinc/93/83/09/562938309.db2.gz	XVOGPTRLJJHROM-BGGMYYEUSA-N	-1	0	442.422	2.511	1	0		IFAFRM
CC1CCN(S(=O)(=O)c2ccc(NC(=O)CSc3ncccc3C(=O)[O-])cc2)CC1	ZINC000004411438	562943298	/nfs/dbraw/zinc/94/32/98/562943298.db2.gz	WKSYVJBHRPNZQT-UHFFFAOYSA-N	-1	0	449.554	2.931	3	0		IFAFRM
C/C=C/[C@@H](CC(=O)[O-])NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1	ZINC000013438576	562986139	/nfs/dbraw/zinc/98/61/39/562986139.db2.gz	UDROVIMBUDJOKK-GBJFIMJBSA-N	-1	0	435.329	2.682	1	0		IFAFRM
O=C(CSc1ncc(S(=O)(=O)c2ccccc2)c(=O)[n-]1)Nc1ccccc1Cl	ZINC000013520216	562991272	/nfs/dbraw/zinc/99/12/72/562991272.db2.gz	JFUWDJIJFITURH-UHFFFAOYSA-N	-1	0	435.914	2.987	3	0		IFAFRM
CCOC(=O)c1nc2c(=O)[nH]c3cc(C(F)(F)F)c(-n4ccc(C(=O)[O-])c4)cc3n2n1	ZINC000013532597	562992113	/nfs/dbraw/zinc/99/21/13/562992113.db2.gz	KYOPMIWBLBJLFB-UHFFFAOYSA-N	-1	0	435.318	2.668	1	0		IFAFRM
CC[C@H]([NH3+])[P@](=O)([O-])C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000013807018	563008524	/nfs/dbraw/zinc/00/85/24/563008524.db2.gz	LFNLOFAQFPNEEA-HSALFYBXSA-N	-1	0	432.457	2.623	1	0		IFAFRM
CC[C@H](C)[C@H]([NH2+][C@@H](C)C(=O)[O-])C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)[O-]	ZINC000026655983	563034820	/nfs/dbraw/zinc/03/48/20/563034820.db2.gz	REUFMJWXJQZYAJ-LRGYGIHKSA-N	-1	0	426.513	2.943	1	0		IFAFRM
CCC1(CC)C(=O)N(C(=O)NCc2ccc(C(N)=O)cc2)[C@@H]1Oc1ccc(C(=O)[O-])cc1	ZINC000027209427	563040950	/nfs/dbraw/zinc/04/09/50/563040950.db2.gz	WCGQCSNEGWMDAO-OAQYLSRUSA-N	-1	0	439.468	2.747	1	0		IFAFRM
COc1ccc(CNC(=O)c2cc(C[C@@H]3SC(=O)[N-]C3=O)ccc2OC)cc1OC	ZINC000027619928	563044477	/nfs/dbraw/zinc/04/44/77/563044477.db2.gz	DVHTWAHBWMWSBT-SFHVURJKSA-N	-1	0	430.482	2.537	1	0		IFAFRM
CC(C)[C@H](NC(=O)[C@@H]1O[C@@H]1[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)[O-]	ZINC000027658037	563045412	/nfs/dbraw/zinc/04/54/12/563045412.db2.gz	CWDRFKNQJRTHQB-UWHLTILDSA-N	-1	0	440.496	2.517	1	0		IFAFRM
O=C([O-])C1=C(CSC2=CCC=CC2)CS[C@@H]2[C@@H](NC(=O)Cc3cccs3)C(=O)N12	ZINC000027759233	563046946	/nfs/dbraw/zinc/04/69/46/563046946.db2.gz	YXFGFDLYFPMKKC-QFBILLFUSA-N	-1	0	448.591	2.996	1	0		IFAFRM
O=C([O-])C1=C(CSC2=CCC=CC2)CS[C@H]2[C@H](NC(=O)Cc3cccs3)C(=O)N12	ZINC000027759256	563046948	/nfs/dbraw/zinc/04/69/48/563046948.db2.gz	YXFGFDLYFPMKKC-APWZRJJASA-N	-1	0	448.591	2.996	1	0		IFAFRM
COc1ccc(-c2cnn3c2nc(Oc2ccc4c([O-])cc(=O)oc4c2)nc3N)cc1OC	ZINC000027899737	563048255	/nfs/dbraw/zinc/04/82/55/563048255.db2.gz	RXITVYYDAFEBIV-UHFFFAOYSA-N	-1	0	447.407	2.995	1	0		IFAFRM
Cc1ccccc1C(=O)N[C@H](Cc1ccccc1)C(=O)CCC(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000028012943	563049767	/nfs/dbraw/zinc/04/97/67/563049767.db2.gz	VAFYRBBLYXKEBH-RTWAWAEBSA-N	-1	0	436.508	2.761	1	0		IFAFRM
CC1(C)S[C@H]2[C@@H](NC(=O)N/C=C/c3ccc(Cl)c(Cl)c3)C(=O)N2[C@H]1C(=O)[O-]	ZINC000028254079	563052285	/nfs/dbraw/zinc/05/22/85/563052285.db2.gz	HZNYOVXGZCDNTN-WALRWYLKSA-N	-1	0	430.313	2.779	1	0		IFAFRM
COC(=O)[C@@H]1C(C(=O)[O-])=Cc2cc3c(cc2[C@H]1c1cc(OC)c(OC)c(OC)c1)OCO3	ZINC000028712869	563062953	/nfs/dbraw/zinc/06/29/53/563062953.db2.gz	MFRCCAYCFGAXMC-WOJBJXKFSA-N	-1	0	442.420	2.844	1	0		IFAFRM
CCCCOC(=O)N[C@H](Cc1ccccc1)C(=O)C[C@@H](C)C(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000028757039	563063409	/nfs/dbraw/zinc/06/34/09/563063409.db2.gz	SJZSCNBOYIWMHJ-BHIYHBOVSA-N	-1	0	432.517	2.795	1	0		IFAFRM
O=C([O-])c1ccc(Cn2cnc3cnc(C(=O)NCc4cccc(F)c4)cc3c2=O)cc1	ZINC000029133847	563076030	/nfs/dbraw/zinc/07/60/30/563076030.db2.gz	IEQLIMOSLUGHGD-UHFFFAOYSA-N	-1	0	432.411	2.607	1	0		IFAFRM
O=C([O-])CC[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NCCc1ccccc1	ZINC000029311888	563077602	/nfs/dbraw/zinc/07/76/02/563077602.db2.gz	FLWJWBYOVLRFBS-OAQYLSRUSA-N	-1	0	440.521	2.710	1	0		IFAFRM
O=c1cnn(-c2ccc(Oc3ccc(I)cc3)c(Cl)c2)c(=O)[n-]1	ZINC000029552045	563082038	/nfs/dbraw/zinc/08/20/38/563082038.db2.gz	TVBFQMBZBBKEJX-UHFFFAOYSA-N	-1	0	441.612	2.971	1	0		IFAFRM
CN1CN(C)C(=O)c2c1nc1n2c(=O)c(Sc2ccccc2)c([O-])n1Cc1ccccc1	ZINC000040465654	563103867	/nfs/dbraw/zinc/10/38/67/563103867.db2.gz	DLKQAMWPJSFAQH-UHFFFAOYSA-N	-1	0	447.520	2.880	1	0		IFAFRM
O=S1(=O)CCCN1c1nc(-c2nnc(Cc3ccc(F)cc3)o2)c([O-])c2ncccc21	ZINC000040874189	563109246	/nfs/dbraw/zinc/10/92/46/563109246.db2.gz	DEKYASBIXCFHDO-UHFFFAOYSA-N	-1	0	441.444	2.655	1	0		IFAFRM
Cn1cc(C(=O)[O-])c(=O)c2cc(O)c(N3CCN(c4ccc5ccccc5n4)CC3)cc21	ZINC000040899854	563110927	/nfs/dbraw/zinc/11/09/27/563110927.db2.gz	YRWPCULLDFSFAC-UHFFFAOYSA-N	-1	0	430.464	2.817	1	0		IFAFRM
CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3c(C)noc3C)C(=O)[O-])cc2)n1	ZINC000043197736	563119363	/nfs/dbraw/zinc/11/93/63/563119363.db2.gz	SXOHFYRRZAGKRM-IBGZPJMESA-N	-1	0	438.484	2.775	1	0		IFAFRM
Cn1cc(C(=O)[O-])c(=O)c2ccc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)nc21	ZINC000045253094	563126845	/nfs/dbraw/zinc/12/68/45/563126845.db2.gz	LTZDZLGLKMLRND-UHFFFAOYSA-N	-1	0	432.402	2.977	1	0		IFAFRM
CC(C)Cn1c(-c2ccc(P(=O)([O-])[O-])o2)nc2c1c(CCC[NH+](C)C)cc(F)c2N	ZINC000045258143	563127517	/nfs/dbraw/zinc/12/75/17/563127517.db2.gz	YHLNHQYFWQHMDO-UHFFFAOYSA-N	-1	0	438.440	2.971	1	0		IFAFRM
C[C@]1(C(=O)[N-]S(=O)(=O)c2cccc(Cl)c2)CCN1C(=O)C1(c2ccccc2)CC1	ZINC000061926664	563149976	/nfs/dbraw/zinc/14/99/76/563149976.db2.gz	GFSLPZYQQIIJQO-HXUWFJFHSA-N	-1	0	432.929	2.868	3	0		IFAFRM
C[C@@]1(C(=O)[N-]S(=O)(=O)c2ccccc2)CCN1C(=O)C1(c2ccccc2)CCCC1	ZINC000061930428	563150695	/nfs/dbraw/zinc/15/06/95/563150695.db2.gz	QMBHZTJLQDBTOW-QFIPXVFZSA-N	-1	0	426.538	2.995	3	0		IFAFRM
Cc1c2c(cc(=O)n1NC(=O)COc1ccc(F)cc1)[n-]n(-c1ccccc1Cl)c2=O	ZINC000064448777	563153502	/nfs/dbraw/zinc/15/35/02/563153502.db2.gz	SCMHXPGMYMUEFQ-UHFFFAOYSA-N	-1	0	442.834	2.731	1	0		IFAFRM
Cc1c(CC(=O)[O-])c2ccsc2n1Cc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000066097601	563157929	/nfs/dbraw/zinc/15/79/29/563157929.db2.gz	ATPAWLVIHLGKER-UHFFFAOYSA-N	-1	0	434.539	2.708	1	0		IFAFRM
COc1ccccc1N1CCN(CCn2c([O-])nc3cc(-c4ccco4)[nH]c3c2=O)CC1	ZINC000072114151	563163644	/nfs/dbraw/zinc/16/36/44/563163644.db2.gz	KZXFKENAXRXAJC-UHFFFAOYSA-N	-1	0	435.484	2.521	1	0		IFAFRM
COc1n[nH]c2ncc(NC(=O)c3c(F)ccc([N-]S(=O)(=O)c4ccco4)c3F)cc12	ZINC000072178641	563166292	/nfs/dbraw/zinc/16/62/92/563166292.db2.gz	FTZZIUBMNYIBNH-UHFFFAOYSA-N	-1	0	449.395	2.891	1	0		IFAFRM
CNC(=O)c1nc(-c2ccc(Cl)c(S(=O)(=O)[N-]c3cccc(F)c3C)c2)cnc1N	ZINC000095574802	563185447	/nfs/dbraw/zinc/18/54/47/563185447.db2.gz	LFOKRWIYRIYGNF-UHFFFAOYSA-N	-1	0	449.895	2.987	1	0		IFAFRM
O=C([O-])[C@@H]1CCC[C@H]1C(=O)N1CCc2ccccc2[C@H]1CN1C(=O)c2ccccc2C1=O	ZINC000095872219	563194647	/nfs/dbraw/zinc/19/46/47/563194647.db2.gz	VLYHLCQLLVPWJM-NJDAHSKKSA-N	-1	0	432.476	2.910	1	0		IFAFRM
CCOC(=O)[C@@H](CCc1ccccc1)O[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-]	ZINC000028755620	581096000	/nfs/dbraw/zinc/09/60/00/581096000.db2.gz	JNGVBETXENHKFM-MTNREXPMSA-N	-1	0	439.508	2.994	1	0		IFAFRM
O=c1[nH]c(=O)n(-c2cc(Br)c([O-])c(Br)c2)cc1Br	ZINC000001018000	562920025	/nfs/dbraw/zinc/92/00/25/562920025.db2.gz	NESLCWYSRITRCH-UHFFFAOYSA-N	-1	0	440.873	2.519	3	0		IFAFRM
O=C([O-])C1CN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cc3cc(Cl)ccc3[nH]2)C1	ZINC000002046793	562925633	/nfs/dbraw/zinc/92/56/33/562925633.db2.gz	RONLONYAIBUEKT-IBGZPJMESA-N	-1	0	425.872	2.705	1	0	in-vivo	IFAFRM
CCc1nn2c(nc(C)c(S(=O)(=O)[N-]c3ccc(Br)cc3F)c2=O)s1	ZINC000008594358	562952965	/nfs/dbraw/zinc/95/29/65/562952965.db2.gz	ZKHOOSPLOLUKIN-UHFFFAOYSA-N	-1	0	447.311	2.724	1	0		IFAFRM
CC(=O)N1CSC[C@H]1C(=O)N/C(=C/c1ccc(OCc2ccccc2)cc1)C(=O)[O-]	ZINC000013488051	562989603	/nfs/dbraw/zinc/98/96/03/562989603.db2.gz	ILRYTHRHHMWEFM-FHTAPLDASA-N	-1	0	426.494	2.729	1	0		IFAFRM
O=C([O-])Cn1c(=O)c2cc(Cl)ccc2n(Cc2ccc(Br)cc2F)c1=O	ZINC000013649867	562998978	/nfs/dbraw/zinc/99/89/78/562998978.db2.gz	QSTJBCAKTXXQKM-UHFFFAOYSA-N	-1	0	441.640	2.851	1	0		IFAFRM
Nc1ccc(C[C@@H](C(=O)[O-])c2cn(C[C@H]3CCCCN3C(=O)c3ccccc3)cn2)cn1	ZINC000013985378	563014303	/nfs/dbraw/zinc/01/43/03/563014303.db2.gz	DXPCOTQKAXKFMI-WOJBJXKFSA-N	-1	0	433.512	2.966	1	0		IFAFRM
O=C([O-])CN1C(=O)[C@]2(CC(=O)N(Cc3ccc(Cl)cc3)C2=O)c2cc(Cl)ccc21	ZINC000014976643	563017009	/nfs/dbraw/zinc/01/70/09/563017009.db2.gz	SBBKJNZAFBHKLP-FQEVSTJZSA-N	-1	0	433.247	2.622	1	0		IFAFRM
CCCCc1nc2c(c(=O)[nH][n-]c2=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1	ZINC000025971653	563027805	/nfs/dbraw/zinc/02/78/05/563027805.db2.gz	WYORVCBZFIMQEE-UHFFFAOYSA-N	-1	0	442.483	2.651	1	0		IFAFRM
COc1c(N2C[C@H](CO)[C@H](C(F)(F)F)C2)c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c21	ZINC000026725476	563035691	/nfs/dbraw/zinc/03/56/91/563035691.db2.gz	APVAHXILHVTVCR-NOZJJQNGSA-N	-1	0	444.381	2.789	1	0		IFAFRM
CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C[C@@H]2C=C[C@H](C)[C@H](CC[C@H](O)C[C@H](O)CC(=O)[O-])[C@H]21	ZINC000027083798	563039099	/nfs/dbraw/zinc/03/90/99/563039099.db2.gz	LBMXASQKAOXFBZ-QBEVQBSPSA-N	-1	0	426.550	2.520	1	0		IFAFRM
CC(=O)S[C@@H](C(=O)c1ccc(Br)cc1)[C@@H](C)C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000027314763	563041479	/nfs/dbraw/zinc/04/14/79/563041479.db2.gz	UWIBVAUAEBBHOQ-FUEDEBDSSA-N	-1	0	442.331	2.992	1	0		IFAFRM
CCOc1cc(N)c(Cl)cc1C(=O)NC[C@H]1CN(Cc2ccc(C(=O)[O-])cc2)CCO1	ZINC000027708286	563045587	/nfs/dbraw/zinc/04/55/87/563045587.db2.gz	CQJUWQQCAORDOB-INIZCTEOSA-N	-1	0	447.919	2.650	1	0		IFAFRM
O=C([O-])C1=C(CSC2=CCC=CC2)CS[C@H]2[C@@H](NC(=O)Cc3cccs3)C(=O)N12	ZINC000027759241	563046958	/nfs/dbraw/zinc/04/69/58/563046958.db2.gz	YXFGFDLYFPMKKC-LPHOPBHVSA-N	-1	0	448.591	2.996	1	0		IFAFRM
O=C(/C=C/c1ccco1)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000029563020	563082411	/nfs/dbraw/zinc/08/24/11/563082411.db2.gz	JAPJOLBDXOXSKE-KMWGMXNCSA-N	-1	0	432.476	2.832	1	0		IFAFRM
CNS(=O)(=O)c1cc(S(=O)(=O)[O-])c(NCc2ccco2)cc1Oc1ccccc1	ZINC000040639591	563105741	/nfs/dbraw/zinc/10/57/41/563105741.db2.gz	RDEKPDXOEANZNC-UHFFFAOYSA-N	-1	0	438.483	2.839	1	0		IFAFRM
Cc1cc(C(=O)N2CC(O)C2)ccc1[C@H]1CCCN1C(=O)c1cc(Cl)c([O-])cc1O	ZINC000040891886	563110029	/nfs/dbraw/zinc/11/00/29/563110029.db2.gz	WGQJLWUFEODORK-GOSISDBHSA-N	-1	0	430.888	2.854	1	0		IFAFRM
C[C@]([NH3+])(COP(=O)([O-])[O-])C(=O)Nc1ccc(OCCCCc2cccs2)cc1	ZINC000040899937	563110897	/nfs/dbraw/zinc/11/08/97/563110897.db2.gz	CQHLHKGLJUEABQ-SFHVURJKSA-N	-1	0	428.447	2.915	1	0		IFAFRM
CN1CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)c(Cl)c2)CC1=O	ZINC000040935399	563112663	/nfs/dbraw/zinc/11/26/63/563112663.db2.gz	CBZNXWJCEVYEBJ-UHFFFAOYSA-N	-1	0	442.324	2.708	1	0		IFAFRM
CCOCCn1nc(C)c2nc(N3CCC(C(=O)[O-])CC3)nc(Nc3cc(C)ccn3)c21	ZINC000049069020	563137525	/nfs/dbraw/zinc/13/75/25/563137525.db2.gz	GJIPNAIUFBLBDU-UHFFFAOYSA-N	-1	0	439.520	2.919	1	0		IFAFRM
O=C([O-])C[C@H](NC(=O)OCc1ccccc1)C(=O)COC(=O)Cc1c[nH]c2ccccc12	ZINC000058582180	563145048	/nfs/dbraw/zinc/14/50/48/563145048.db2.gz	WSDQSIQOSIODCX-IBGZPJMESA-N	-1	0	438.436	2.592	1	0		IFAFRM
C[C@]1(C(=O)[N-]S(=O)(=O)c2cccc(OC(F)F)c2)CCN1C(=O)c1cccc(F)c1	ZINC000061897385	563147490	/nfs/dbraw/zinc/14/74/90/563147490.db2.gz	SQVMGHROIKGAKL-LJQANCHMSA-N	-1	0	442.415	2.537	3	0		IFAFRM
CCCS(=O)(=O)[N-]C(=O)[C@]1(C)CCCN(C(=O)c2ccc(C(F)(F)F)nc2C)C1	ZINC000061897906	563147580	/nfs/dbraw/zinc/14/75/80/563147580.db2.gz	UANSMMSJYTZUAU-QGZVFWFLSA-N	-1	0	435.468	2.507	3	0		IFAFRM
COc1cc(-c2cnc(N)c(N3CC[C@@H](C(=O)[O-])[C@@H](C4CC4)C3)n2)cc(OC)c1OC	ZINC000064447297	563153207	/nfs/dbraw/zinc/15/32/07/563153207.db2.gz	VULRUXSWMVFYTN-HUUCEWRRSA-N	-1	0	428.489	2.689	1	0		IFAFRM
NC(=O)CN(Cc1nc2ccccc2s1)C(=O)c1[nH]c(-c2ccccc2)nc1C(=O)[O-]	ZINC000064526994	563154448	/nfs/dbraw/zinc/15/44/48/563154448.db2.gz	CJYAOYIBHQVMHO-UHFFFAOYSA-N	-1	0	435.465	2.512	1	0		IFAFRM
O=C([O-])c1ccccc1C(=O)NN1CN(Cc2ccccc2)[C@@H](Cc2ccccc2)C1=O	ZINC000064574012	563156462	/nfs/dbraw/zinc/15/64/62/563156462.db2.gz	ILTZQESSZKIDNT-QFIPXVFZSA-N	-1	0	429.476	2.943	1	0		IFAFRM
CCc1c(=O)n([O-])c(=O)n(COCc2ccc(F)cc2)c1C(=O)c1cc(C)cc(C)c1	ZINC000071296828	563161821	/nfs/dbraw/zinc/16/18/21/563161821.db2.gz	BFIHHAHRELSFNV-UHFFFAOYSA-N	-1	0	426.444	2.971	1	0		IFAFRM
COc1ccccc1N1CCN(CCn2c([O-])nc3cc(C(C)(C)C)[nH]c3c2=O)CC1	ZINC000072114166	563163661	/nfs/dbraw/zinc/16/36/61/563163661.db2.gz	TVBSITAJLVQMCY-UHFFFAOYSA-N	-1	0	425.533	2.559	1	0		IFAFRM
CN1C(=O)c2cc(NC(=O)c3cccc(F)c3)ccc2OC[C@H]2O[C@H](CC(=O)[O-])CC[C@H]21	ZINC000095566374	563183506	/nfs/dbraw/zinc/18/35/06/563183506.db2.gz	WRKYVIHZIFPYOT-ILZDJORESA-N	-1	0	442.443	2.933	1	0		IFAFRM
O=C([O-])[C@@H]1CCCN1C(=O)N1CCc2ccccc2[C@H]1CN1C(=O)c2ccccc2C1=O	ZINC000095872301	563194717	/nfs/dbraw/zinc/19/47/17/563194717.db2.gz	KFYOWDXRVTXGGZ-VQTJNVASSA-N	-1	0	433.464	2.551	1	0		IFAFRM
CC(C)[C@H](CC(=O)[O-])NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1	ZINC000013438582	562986151	/nfs/dbraw/zinc/98/61/51/562986151.db2.gz	ORZLHZNPLLZPSZ-GJZGRUSLSA-N	-1	0	437.345	2.762	1	0		IFAFRM
CC(C)C[C@H](NC(=O)Cc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C(=O)[O-]	ZINC000013488660	562989794	/nfs/dbraw/zinc/98/97/94/562989794.db2.gz	REHCAGGNZNJENJ-JAXLGGSGSA-N	-1	0	432.561	2.661	1	0		IFAFRM
O=C([O-])Cn1c(=O)c2ccc(Cl)cc2n(Cc2ccc(Br)cc2F)c1=O	ZINC000013649865	562998979	/nfs/dbraw/zinc/99/89/79/562998979.db2.gz	YHTPUQDWEZVEGH-UHFFFAOYSA-N	-1	0	441.640	2.851	1	0		IFAFRM
O=C([O-])Cn1c(=O)c2c(Cl)cccc2n(Cc2ccc(Br)cc2F)c1=O	ZINC000013649869	562998997	/nfs/dbraw/zinc/99/89/97/562998997.db2.gz	RYFYCALGMRVKID-UHFFFAOYSA-N	-1	0	441.640	2.851	1	0		IFAFRM
COc1cc2c(c(OC)c1OC)-c1ccc(N)c(=O)cc1[C@@H]([N-]C(=O)C(F)(F)F)CC2	ZINC000013650181	562999014	/nfs/dbraw/zinc/99/90/14/562999014.db2.gz	KPUQFELWTOHGSX-AWEZNQCLSA-N	-1	0	438.402	2.988	1	0		IFAFRM
O=C([O-])C(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(-c2ccccn2)s1	ZINC000027518754	563042605	/nfs/dbraw/zinc/04/26/05/563042605.db2.gz	YXXPZIJDDIJKDH-INIZCTEOSA-N	-1	0	428.491	2.579	1	0		IFAFRM
O=C([O-])C1=C(CSC2=CCC=CC2)CS[C@@H]2[C@H](NC(=O)Cc3cccs3)C(=O)N12	ZINC000027759250	563046935	/nfs/dbraw/zinc/04/69/35/563046935.db2.gz	YXFGFDLYFPMKKC-VQIMIIECSA-N	-1	0	448.591	2.996	1	0		IFAFRM
CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(c4ncccn4)CC3)c(C(F)F)c21	ZINC000027857504	563047468	/nfs/dbraw/zinc/04/74/68/563047468.db2.gz	MNBGXKCWUARTEL-UHFFFAOYSA-N	-1	0	447.417	2.913	1	0		IFAFRM
O=C([O-])[C@@H]1CCCN1C(=O)CCCC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1	ZINC000028016041	563049865	/nfs/dbraw/zinc/04/98/65/563049865.db2.gz	OCCYDXOFQKDGHX-RTWAWAEBSA-N	-1	0	436.508	2.843	1	0		IFAFRM
CCOCC[C@@]1(Oc2ccc(Oc3ccc(C(=O)NC)cc3)cc2)C(=O)[N-]C(=O)NC1=O	ZINC000028975615	563071390	/nfs/dbraw/zinc/07/13/90/563071390.db2.gz	IWJZEADZIMWQAP-UHFFFAOYSA-N	-1	0	441.440	2.589	1	0		IFAFRM
CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CSc2ccccc2N(CC(=O)[O-])C1=O	ZINC000029320528	563077805	/nfs/dbraw/zinc/07/78/05/563077805.db2.gz	JHCMSDHPXGWVKN-ROUUACIJSA-N	-1	0	442.537	2.733	1	0		IFAFRM
CN1CCN(c2c(F)c(Br)c3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2F)CC1	ZINC000029401692	563079307	/nfs/dbraw/zinc/07/93/07/563079307.db2.gz	SAQHYFMMJICWOH-UHFFFAOYSA-N	-1	0	442.260	2.827	1	0		IFAFRM
CCOC(=O)[C@H](CCc1ccccc1)N[C@H](C)C(=O)N1[C@@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	ZINC000031274447	563083208	/nfs/dbraw/zinc/08/32/08/563083208.db2.gz	VXFJYXUZANRPDJ-SDZDHKAXSA-N	-1	0	430.545	2.773	1	0		IFAFRM
CN(c1ccccc1)c1cc(NCc2ccccc2)c(S(=O)(=O)[O-])cc1S(N)(=O)=O	ZINC000039298598	563099099	/nfs/dbraw/zinc/09/90/99/563099099.db2.gz	MXKQAWHHYMXQFI-UHFFFAOYSA-N	-1	0	447.538	2.961	1	0		IFAFRM
COCCCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)CSC(C)=O)cn2)cc1	ZINC000042878310	563115825	/nfs/dbraw/zinc/11/58/25/563115825.db2.gz	RCTSTPPUISNYKJ-UHFFFAOYSA-N	-1	0	438.527	2.760	1	0		IFAFRM
Cc1c(N2CCC3=C(C2)[C@@H](O)CCS3)c(N)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c12	ZINC000049777146	563139514	/nfs/dbraw/zinc/13/95/14/563139514.db2.gz	BQFJLYPOUZVCLX-KRWDZBQOSA-N	-1	0	427.526	2.887	1	0		IFAFRM
C[C@@]1(C(=O)[N-]S(=O)(=O)c2ccccc2Cl)CCN1C(=O)C1(c2ccccc2)CC1	ZINC000061907807	563148889	/nfs/dbraw/zinc/14/88/89/563148889.db2.gz	FEARVPSSSDZWCS-FQEVSTJZSA-N	-1	0	432.929	2.868	3	0		IFAFRM
Cc1nnc([N-]c2nc(N3CCN(C(=O)Cc4ccccc4)CC3)nn3cccc23)s1	ZINC000066103774	563158663	/nfs/dbraw/zinc/15/86/63/563158663.db2.gz	KINQBFBTEKKXKF-UHFFFAOYSA-N	-1	0	434.529	2.524	1	0		IFAFRM
O=C([O-])[C@@]1(O)C[C@@H](O)[C@H](O)C(OCc2cccs2)=C1Cc1ccc2sccc2c1	ZINC000072106244	563162970	/nfs/dbraw/zinc/16/29/70/563162970.db2.gz	WMVCHTVGMSAHHM-PLMTUMEDSA-N	-1	0	432.519	2.917	1	0		IFAFRM
CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(N3CCOCC3)cc12)C(=O)[O-]	ZINC000073222415	563170703	/nfs/dbraw/zinc/17/07/03/563170703.db2.gz	YODOKYMGJFAIPQ-FQEVSTJZSA-N	-1	0	432.498	2.810	1	0		IFAFRM
CNC(=O)c1nc(-c2ccc(Cl)c(S(=O)(=O)[N-]c3cccc(F)c3)c2)cnc1N	ZINC000095574248	563185228	/nfs/dbraw/zinc/18/52/28/563185228.db2.gz	FVEKEQIPCZDRBX-UHFFFAOYSA-N	-1	0	435.868	2.679	1	0		IFAFRM