smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CS(=O)(=O)N1CCC(NC(=O)NCc2cccc(Cl)c2[O-])CC1	ZINC000891706802	779136968	/nfs/dbraw/zinc/13/69/68/779136968.db2.gz	UTYNAEWJPAYECQ-UHFFFAOYSA-N	-1	1	361.851	1.269	20	10		FDCDMM
CCS(=O)(=O)N(C)CCCNC(=O)NCc1cccc(Cl)c1[O-]	ZINC000891995804	781143208	/nfs/dbraw/zinc/14/32/08/781143208.db2.gz	MPXLQFOFZIIOSY-UHFFFAOYSA-N	-1	1	363.867	1.516	20	10		FDCDMM
CS(=O)(=O)c1ccc(F)c(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c1	ZINC000783092460	793741662	/nfs/dbraw/zinc/74/16/62/793741662.db2.gz	GHDGTYMSCDFGCX-UHFFFAOYSA-N	-1	1	368.338	1.680	20	10		FDCDMM
CC(C)NC(=O)CNC(=S)NCc1cccc(Br)c1[O-]	ZINC000765991577	878409735	/nfs/dbraw/zinc/40/97/35/878409735.db2.gz	BYHSOEOWFQCOGP-UHFFFAOYSA-N	-1	1	360.277	1.643	20	10		FDCDMM
COCCN1C(=O)C(=CNc2ccc(C(F)(F)F)cc2)C(=O)[N-]C1=S	ZINC000920975969	887360870	/nfs/dbraw/zinc/36/08/70/887360870.db2.gz	MDYSNKOUOIZVHO-DHZHZOJOSA-N	-1	1	373.356	1.891	20	10		FDCDMM
O=C(NCCCn1cncn1)NCc1cccc(Br)c1[O-]	ZINC000764765854	905599562	/nfs/dbraw/zinc/59/95/62/905599562.db2.gz	VRRQCVAKVGNNSS-UHFFFAOYSA-N	-1	1	354.208	1.636	20	10		FDCDMM
CCN(CC)c1ccc(CNC(=O)CCn2cc[n-]c(=O)c2=O)cc1F	ZINC000731373008	917999692	/nfs/dbraw/zinc/99/96/92/917999692.db2.gz	FRHRRZYKLYLOFT-UHFFFAOYSA-N	-1	1	362.405	1.228	20	10		FDCDMM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2cnn(CC(F)F)c2)c1	ZINC000741286701	925688202	/nfs/dbraw/zinc/68/82/02/925688202.db2.gz	DTGZDLUTVYUAJA-UHFFFAOYSA-N	-1	1	360.342	1.478	20	10		FDCDMM
CC(C)Cc1cc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])n(C)n1	ZINC000769738688	929656832	/nfs/dbraw/zinc/65/68/32/929656832.db2.gz	RNXXLJLMHFRRED-UHFFFAOYSA-N	-1	1	366.443	1.948	20	10		FDCDMM
CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O	ZINC000790417792	933528339	/nfs/dbraw/zinc/52/83/39/933528339.db2.gz	PBOAXOZFEAESOT-UHFFFAOYSA-N	-1	1	360.391	1.981	20	10		FDCDMM
NC(=O)c1ccc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)nc1Cl	ZINC000805572239	938772972	/nfs/dbraw/zinc/77/29/72/938772972.db2.gz	CSAUQBJUFNKECB-UHFFFAOYSA-N	-1	1	350.714	1.285	20	10		FDCDMM
O=C(COC(=O)[C@]1(c2ccccc2)CNC(=O)C1)c1ccc([O-])c(O)c1	ZINC000811236600	941110177	/nfs/dbraw/zinc/11/01/77/941110177.db2.gz	ORVFCVPPJSSMNS-IBGZPJMESA-N	-1	1	355.346	1.282	20	10		FDCDMM
O=C(c1c([O-])c(O)ccc1F)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1	ZINC000825441818	947247281	/nfs/dbraw/zinc/24/72/81/947247281.db2.gz	XBXZTHCTHHGSJA-UHFFFAOYSA-N	-1	1	362.317	1.503	20	10		FDCDMM
COc1ccc(N2CCN(CCCNC(=O)CCCC(=O)[O-])CC2)cc1	ZINC000844252095	947894132	/nfs/dbraw/zinc/89/41/32/947894132.db2.gz	HOCIKMDJSXMXEA-UHFFFAOYSA-N	-1	1	363.458	1.578	20	10		FDCDMM
COC(=O)C1CC2(C1)C[N@@H+](Cc1cc(F)c(F)cc1[O-])C[C@@H]2C(=O)[O-]	ZINC001593825050	955093888	/nfs/dbraw/zinc/09/38/88/955093888.db2.gz	WOLLHDCQIRMPKT-VVHFOWEKSA-N	-1	1	355.337	1.756	20	10		FDCDMM
Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)N3C[C@@H](C)C[C@H]3CO)cc12	ZINC001184356440	963540099	/nfs/dbraw/zinc/54/00/99/963540099.db2.gz	ITVDHDVNWQBMNB-WFASDCNBSA-N	-1	1	374.437	1.468	20	10		FDCDMM
Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)N3CC4(C3)CCCO4)cc12	ZINC001184360196	963541329	/nfs/dbraw/zinc/54/13/29/963541329.db2.gz	XLOGRHSSUGRJSK-UHFFFAOYSA-N	-1	1	372.421	1.630	20	10		FDCDMM
CCOC(=O)[C@H]1CSCCN1Cc1ccc([N+](=O)[O-])c(OC)c1[O-]	ZINC000774825964	963799146	/nfs/dbraw/zinc/79/91/46/963799146.db2.gz	JEYYTGVPFPMSAA-GFCCVEGCSA-N	-1	1	356.400	1.790	20	10		FDCDMM
Cc1cc(N2CCC(C(=O)NCC(=O)c3ccc([O-])c(O)c3)CC2)ncn1	ZINC001177561653	963886721	/nfs/dbraw/zinc/88/67/21/963886721.db2.gz	MBWFLZCELGANND-UHFFFAOYSA-N	-1	1	370.409	1.412	20	10		FDCDMM
O=C(CNS(=O)(=O)c1ccc2nsnc2c1)c1ccc([O-])c(O)c1	ZINC001186282074	964397236	/nfs/dbraw/zinc/39/72/36/964397236.db2.gz	NXJGNWUCVKJJRK-UHFFFAOYSA-N	-1	1	365.392	1.264	20	10		FDCDMM
O=C(CNC(=O)c1ccc(Cn2cncn2)cc1)c1ccc([O-])c(O)c1	ZINC001187077224	964997842	/nfs/dbraw/zinc/99/78/42/964997842.db2.gz	CNJJTNUEPVBDAJ-UHFFFAOYSA-N	-1	1	352.350	1.350	20	10		FDCDMM
CCOC(=O)N1CCC(C(=O)NCC(=O)c2ccc([O-])c(O)c2)CC1	ZINC001180831907	965600559	/nfs/dbraw/zinc/60/05/59/965600559.db2.gz	ZOUKWNAWWXOTFJ-UHFFFAOYSA-N	-1	1	350.371	1.265	20	10		FDCDMM
Cc1cc([N-]S(=O)(=O)c2cccc(S(N)(=O)=O)c2)c(C)c(C)c1O	ZINC000775292254	967193331	/nfs/dbraw/zinc/19/33/31/967193331.db2.gz	XCNABCPQOAWAFM-UHFFFAOYSA-N	-1	1	370.452	1.766	20	10		FDCDMM
Cc1cc(Br)c([O-])c(C[N@H+]2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c1	ZINC000854242367	968708386	/nfs/dbraw/zinc/70/83/86/968708386.db2.gz	JXGZDZNHDUTEBX-IAQYHMDHSA-N	-1	1	356.216	1.996	20	10		FDCDMM
COCCOc1nccc(CNC(=O)c2ccc(O)c([O-])c2Cl)n1	ZINC001193247028	969574252	/nfs/dbraw/zinc/57/42/52/969574252.db2.gz	ILZOLLNEUNFZMV-UHFFFAOYSA-N	-1	1	353.762	1.496	20	10		FDCDMM
O=C(CNC(=O)c1nccn1Cc1cccnc1)c1ccc([O-])c(O)c1	ZINC001199402675	974258866	/nfs/dbraw/zinc/25/88/66/974258866.db2.gz	QKRLAFNDCORWFW-UHFFFAOYSA-N	-1	1	352.350	1.350	20	10		FDCDMM
COC(=O)COCCNC(=O)NCc1cccc(Br)c1[O-]	ZINC000858831385	982318227	/nfs/dbraw/zinc/31/82/27/982318227.db2.gz	JOLVGZOVHVVAIM-UHFFFAOYSA-N	-1	1	361.192	1.144	20	10		FDCDMM
CC(C)CN1C(=O)C(=CNc2ccc(C(=O)N(C)C)cc2)C(=O)[N-]C1=S	ZINC000299267348	988278396	/nfs/dbraw/zinc/27/83/96/988278396.db2.gz	PGGGHTKIOVTFAL-ZROIWOOFSA-N	-1	1	374.466	1.584	20	10		FDCDMM
CN1CCN(c2ccc(CNC(=O)N3CCC[C@](C)(C(=O)[O-])C3)cc2)CC1	ZINC001598622288	994022054	/nfs/dbraw/zinc/02/20/54/994022054.db2.gz	AJLBMFBSCCTDDO-FQEVSTJZSA-N	-1	1	374.485	1.835	20	10		FDCDMM
C[C@H](NC(=O)NCc1cccc(Br)c1[O-])c1cn(C)nn1	ZINC000925945204	995847984	/nfs/dbraw/zinc/84/79/84/995847984.db2.gz	OXMKQUUAISXOEY-QMMMGPOBSA-N	-1	1	354.208	1.844	20	10		FDCDMM
CC(C)c1nnc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])s1	ZINC000055191623	523763933	/nfs/dbraw/zinc/76/39/33/523763933.db2.gz	RTAGSSBEMPJNOS-UHFFFAOYSA-N	-1	1	356.429	1.991	20	10		FDCDMM
COC(=O)CN1CCCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1	ZINC000121379853	524241131	/nfs/dbraw/zinc/24/11/31/524241131.db2.gz	OIDLYWYGNJTMNQ-UHFFFAOYSA-N	-1	1	357.794	1.635	20	10		FDCDMM
C[C@@H](CN(C)C(=O)C=Cc1ccc(N2CCOCC2)cc1)c1nn[n-]n1	ZINC000183406139	535976274	/nfs/dbraw/zinc/97/62/74/535976274.db2.gz	JZECQHRMPXWDCB-GPAKFWEMSA-N	-1	1	356.430	1.312	20	10		FDCDMM
CC[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C[C@H](C)S1(=O)=O	ZINC000289875095	537613060	/nfs/dbraw/zinc/61/30/60/537613060.db2.gz	RPIACDVDBFGKTC-CMPLNLGQSA-N	-1	1	358.416	1.707	20	10		FDCDMM
COc1c([O-])c(CN2CC(=O)N(CCC(F)(F)F)C2)ccc1[N+](=O)[O-]	ZINC000295132425	537710672	/nfs/dbraw/zinc/71/06/72/537710672.db2.gz	YRHHYQWSYVWBIK-UHFFFAOYSA-N	-1	1	363.292	1.863	20	10		FDCDMM
Cc1cc(C(=O)Nc2nnn[n-]2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1	ZINC000737238741	598619135	/nfs/dbraw/zinc/61/91/35/598619135.db2.gz	RPZKVDIRVZURBL-UHFFFAOYSA-N	-1	1	350.346	1.040	20	10		FDCDMM
Cc1cc(C(=O)Nc2nn[n-]n2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1	ZINC000737238741	598619137	/nfs/dbraw/zinc/61/91/37/598619137.db2.gz	RPZKVDIRVZURBL-UHFFFAOYSA-N	-1	1	350.346	1.040	20	10		FDCDMM
O=C([O-])/C=C\c1ccc(N2CCN([C@@H]3CCC[C@@H]3O)CC2)c([N+](=O)[O-])c1	ZINC000739623312	599959424	/nfs/dbraw/zinc/95/94/24/599959424.db2.gz	DMPSAUBCPWTARH-UJFJBFGSSA-N	-1	1	361.398	1.728	20	10		FDCDMM
COc1ccc(N2CCN(CCCNC(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)cc1	ZINC000738024060	600106322	/nfs/dbraw/zinc/10/63/22/600106322.db2.gz	XUOVSIIKOXATJQ-IAGOWNOFSA-N	-1	1	361.442	1.044	20	10		FDCDMM
O=C(Nc1ccc(-c2nccs2)cc1)C1=S=C(c2nn[n-]n2)C=C1	ZINC000823299333	606494726	/nfs/dbraw/zinc/49/47/26/606494726.db2.gz	SEKYEJYNTQGOKY-UHFFFAOYSA-N	-1	1	354.420	1.958	20	10		FDCDMM
CCCS(=O)(=O)NC1CCN(C(=O)c2c(F)ccc(O)c2[O-])CC1	ZINC000276627680	674742316	/nfs/dbraw/zinc/74/23/16/674742316.db2.gz	SEAPSJYGKRKKNY-UHFFFAOYSA-N	-1	1	360.407	1.171	20	10		FDCDMM
COCC(=O)N[C@H](C(=O)NCc1cccc(Br)c1[O-])C(C)C	ZINC000277623068	674982241	/nfs/dbraw/zinc/98/22/41/674982241.db2.gz	WKGORZLCNNKBFL-ZDUSSCGKSA-N	-1	1	373.247	1.558	20	10		FDCDMM
CC(C)Cn1cc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cn1	ZINC000266584516	673152546	/nfs/dbraw/zinc/15/25/46/673152546.db2.gz	RIZNXBGVPRUGIN-UHFFFAOYSA-N	-1	1	352.416	1.869	20	10		FDCDMM
CC(=O)c1cc(Cl)cc(CN2CCO[C@@H](C[N@H+](C)CC(=O)[O-])C2)c1O	ZINC000296966397	676422394	/nfs/dbraw/zinc/42/23/94/676422394.db2.gz	MZJCPGFYCRYPTB-AWEZNQCLSA-N	-1	1	370.833	1.465	20	10		FDCDMM
CC(=O)c1cc(Cl)cc(CN2CCO[C@@H](C[N@@H+](C)CC(=O)[O-])C2)c1[O-]	ZINC000296966397	676422396	/nfs/dbraw/zinc/42/23/96/676422396.db2.gz	MZJCPGFYCRYPTB-AWEZNQCLSA-N	-1	1	370.833	1.465	20	10		FDCDMM
CC(=O)c1cc(Cl)cc(CN2CCO[C@@H](C[N@H+](C)CC(=O)[O-])C2)c1[O-]	ZINC000296966397	676422397	/nfs/dbraw/zinc/42/23/97/676422397.db2.gz	MZJCPGFYCRYPTB-AWEZNQCLSA-N	-1	1	370.833	1.465	20	10		FDCDMM
COC(=O)c1ccccc1S(=O)(=O)Nc1ccc(O)c(C(=O)[O-])c1	ZINC000323893057	676566998	/nfs/dbraw/zinc/56/69/98/676566998.db2.gz	NUPCEHWDGGVQNI-UHFFFAOYSA-N	-1	1	351.336	1.678	20	10		FDCDMM
C[C@]1(C2CC2)NC(=O)N(CC(=O)NCc2cccc(Cl)c2[O-])C1=O	ZINC000890757716	771587174	/nfs/dbraw/zinc/58/71/74/771587174.db2.gz	JBAPQPYJSCWBJA-MRXNPFEDSA-N	-1	1	351.790	1.382	20	10		FDCDMM
CCS(=O)(=O)N1CCC(C(=O)NCc2cccc(Cl)c2[O-])CC1	ZINC000890757966	771589086	/nfs/dbraw/zinc/58/90/86/771589086.db2.gz	OTXVSDWEVKSVTN-UHFFFAOYSA-N	-1	1	360.863	1.724	20	10		FDCDMM
O=C(NCc1cccc(Cl)c1[O-])[C@H]1CNC(=O)C[C@H]1C(F)(F)F	ZINC000890763462	771652196	/nfs/dbraw/zinc/65/21/96/771652196.db2.gz	WVJDKXDTJUJOHK-DTWKUNHWSA-N	-1	1	350.724	1.976	20	10		FDCDMM
Cn1cc(-c2nc([C@@H]3COCCN3Cc3cccc(F)c3[O-])no2)cn1	ZINC000378560270	794320049	/nfs/dbraw/zinc/32/00/49/794320049.db2.gz	RPHLWRPZWQPLIB-AWEZNQCLSA-N	-1	1	359.361	1.888	20	10		FDCDMM
COc1ccc(N2CC[NH+](CCCNC(=O)c3ncccc3[O-])CC2)cc1	ZINC000171237277	865163256	/nfs/dbraw/zinc/16/32/56/865163256.db2.gz	NHKLIKUPKQKXMC-UHFFFAOYSA-N	-1	1	370.453	1.738	20	10		FDCDMM
C[S@](=O)(=NS(=O)(=O)[N-]Cc1ccc(O)cc1O)C1CCCCC1	ZINC001212222332	882957439	/nfs/dbraw/zinc/95/74/39/882957439.db2.gz	FEJQLUYAMHZDPH-JOCHJYFZSA-N	-1	1	362.473	1.863	20	10		FDCDMM
COC(=O)c1ccccc1NC=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O	ZINC000920976688	887361072	/nfs/dbraw/zinc/36/10/72/887361072.db2.gz	QABFCJIFLMXNTA-WQLSENKSSA-N	-1	1	361.423	1.668	20	10		FDCDMM
COCCN1C(=O)C(=CNc2cccc3c(O)cccc23)C(=O)[N-]C1=S	ZINC000920977554	887362076	/nfs/dbraw/zinc/36/20/76/887362076.db2.gz	CPRPFSZRDRBWJT-JLHYYAGUSA-N	-1	1	371.418	1.731	20	10		FDCDMM
COCCN1C(=O)C(=CNc2cccc3ncccc32)C(=O)[N-]C1=S	ZINC000920980018	887363429	/nfs/dbraw/zinc/36/34/29/887363429.db2.gz	SEBYINMQLNWNSG-ZRDIBKRKSA-N	-1	1	356.407	1.420	20	10		FDCDMM
Cc1nnc2n1CCN(Cc1cccc(I)c1[O-])C2	ZINC001237780169	897394224	/nfs/dbraw/zinc/39/42/24/897394224.db2.gz	NPUFIUOKECUQMK-UHFFFAOYSA-N	-1	1	370.194	1.913	20	10		FDCDMM
CC(=O)c1ccc(NC(=S)NNc2nc(=O)c3cnn(C)c3[n-]2)cc1	ZINC000769795355	929682580	/nfs/dbraw/zinc/68/25/80/929682580.db2.gz	RJKQFKVTVUGOCK-UHFFFAOYSA-N	-1	1	357.399	1.585	20	10		FDCDMM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2ccn(CC(F)F)n2)c1	ZINC000769949578	929749490	/nfs/dbraw/zinc/74/94/90/929749490.db2.gz	SGPRDWQVVPOMNM-UHFFFAOYSA-N	-1	1	360.342	1.478	20	10		FDCDMM
O=C(CN1CCc2ccccc2C1=O)OCC(=O)c1ccc([O-])c(O)c1	ZINC000789279738	932978919	/nfs/dbraw/zinc/97/89/19/932978919.db2.gz	YHNQKRJYXBRKBM-UHFFFAOYSA-N	-1	1	355.346	1.522	20	10		FDCDMM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2C[C@@H](CO)c3ccccc32)c1	ZINC000817788606	942978423	/nfs/dbraw/zinc/97/84/23/942978423.db2.gz	AIHWFELXXHSHKO-NSHDSACASA-N	-1	1	362.407	1.500	20	10		FDCDMM
COc1ccc(N2CC[C@@H](CNC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)C2)cc1	ZINC000819588670	943637317	/nfs/dbraw/zinc/63/73/17/943637317.db2.gz	NNIDBJYDYZUFHE-LBPRGKRZSA-N	-1	1	372.381	1.960	20	10		FDCDMM
CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCC(=O)c1ccc([O-])c(O)c1	ZINC001181598601	960982285	/nfs/dbraw/zinc/98/22/85/960982285.db2.gz	DALFWTJVCWEQJN-MRXNPFEDSA-N	-1	1	368.389	1.370	20	10		FDCDMM
CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(C(=O)c2c(F)ccc(O)c2[O-])C1	ZINC001183165479	962896132	/nfs/dbraw/zinc/89/61/32/962896132.db2.gz	DXJFQQWEXFQLRE-SNVBAGLBSA-N	-1	1	362.361	1.938	20	10		FDCDMM
Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)NC(=N)c3ncc[nH]3)cc12	ZINC001184362061	963543709	/nfs/dbraw/zinc/54/37/09/963543709.db2.gz	MIEMIKPPVUMFLZ-UHFFFAOYSA-N	-1	1	369.381	1.104	20	10		FDCDMM
COCC1CN(C(=O)CN(C)Cc2cc3c(C)cc(=O)oc3cc2[O-])C1	ZINC001184355347	963559062	/nfs/dbraw/zinc/55/90/62/963559062.db2.gz	XVVRUIFEDBKXRS-UHFFFAOYSA-N	-1	1	360.410	1.344	20	10		FDCDMM
O=C(CNC(=O)[C@H]1CCCN(c2ccccn2)C1)c1ccc([O-])c(O)c1	ZINC001176971441	963624726	/nfs/dbraw/zinc/62/47/26/963624726.db2.gz	VZPZPGDTZQHYBD-AWEZNQCLSA-N	-1	1	355.394	1.708	20	10		FDCDMM
O=C(CNS(=O)(=O)Cc1ccc(F)c(F)c1)c1ccc([O-])c(O)c1	ZINC001189336401	966919320	/nfs/dbraw/zinc/91/93/20/966919320.db2.gz	GQIUZUHCOHYBHQ-UHFFFAOYSA-N	-1	1	357.334	1.678	20	10		FDCDMM
COC(=O)c1c[nH]c(C(=O)OC)c1NC(=O)c1ccc(O)c([O-])c1Cl	ZINC001193209489	969537387	/nfs/dbraw/zinc/53/73/87/969537387.db2.gz	LOFDXSXDZWMGMG-UHFFFAOYSA-N	-1	1	368.729	1.905	20	10		FDCDMM
COc1cc(N2CCN(C(=O)c3ccc(O)c([O-])c3Cl)CC2)ncn1	ZINC001193233319	969563630	/nfs/dbraw/zinc/56/36/30/969563630.db2.gz	XMYODBZLUZIOMD-UHFFFAOYSA-N	-1	1	364.789	1.512	20	10		FDCDMM
O=C(NCCCCCCN1C(=O)C=CC1=O)c1ccc(O)c([O-])c1Cl	ZINC001193237187	969565237	/nfs/dbraw/zinc/56/52/37/969565237.db2.gz	ZTXSBPKRINYFSB-UHFFFAOYSA-N	-1	1	366.801	1.966	20	10		FDCDMM
O=C(CNC(=O)c1cncc(OCC(F)(F)F)n1)c1ccc([O-])c(O)c1	ZINC001198003457	972628244	/nfs/dbraw/zinc/62/82/44/972628244.db2.gz	VBIKIYXTJWXAAL-UHFFFAOYSA-N	-1	1	371.271	1.442	20	10		FDCDMM
CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)cc2)cc1C	ZINC000794579187	973295191	/nfs/dbraw/zinc/29/51/91/973295191.db2.gz	SSXLNGVBEUKRBU-UHFFFAOYSA-N	-1	1	356.425	1.410	20	10		FDCDMM
O=C(CNC(=O)c1cnc(OCC(F)(F)F)nc1)c1ccc([O-])c(O)c1	ZINC001199526046	974349658	/nfs/dbraw/zinc/34/96/58/974349658.db2.gz	BOPTWPVRZQCWTP-UHFFFAOYSA-N	-1	1	371.271	1.442	20	10		FDCDMM
CN(c1cc([O-])cc([N+](=O)[O-])c1)S(=O)(=O)CCc1ccc(N)cc1	ZINC001201223386	974988115	/nfs/dbraw/zinc/98/81/15/974988115.db2.gz	XRKBVKHINDHVTI-UHFFFAOYSA-N	-1	1	351.384	1.891	20	10		FDCDMM
Cc1nc(Cl)sc1S(=O)(=O)[N-]CCc1cc(O)c(O)cc1O	ZINC001201766798	975145093	/nfs/dbraw/zinc/14/50/93/975145093.db2.gz	JAYWSWYPEDBXGO-UHFFFAOYSA-N	-1	1	364.832	1.743	20	10		FDCDMM
O=C(NC[C@H](CO)Cc1ccncc1Cl)c1c(F)ccc(O)c1[O-]	ZINC000848376821	976704255	/nfs/dbraw/zinc/70/42/55/976704255.db2.gz	LVXDEBDQGZOLNL-SECBINFHSA-N	-1	1	354.765	1.866	20	10		FDCDMM
CC(C)(C)OC(=O)CN1CCC(NC(=O)c2c(F)ccc(O)c2[O-])CC1	ZINC000881433707	979938633	/nfs/dbraw/zinc/93/86/33/979938633.db2.gz	LSTHMDXUTXQMHV-UHFFFAOYSA-N	-1	1	368.405	1.773	20	10		FDCDMM
Cc1cc(N(C)C)ccc1C[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000858988529	982435183	/nfs/dbraw/zinc/43/51/83/982435183.db2.gz	OXLLITNUEKNCJH-UHFFFAOYSA-N	-1	1	353.404	1.181	20	10		FDCDMM
CC1(c2nsc(NC(=O)c3cc(NS(C)(=O)=O)ccc3[O-])n2)CC1	ZINC000862610765	984433295	/nfs/dbraw/zinc/43/32/95/984433295.db2.gz	XJAGIZDJNVLTCD-UHFFFAOYSA-N	-1	1	368.440	1.919	20	10		FDCDMM
CNC(=O)[C@H]1Cc2ccccc2CN1Cc1ccc([N+](=O)[O-])c(OC)c1[O-]	ZINC000365803549	988098496	/nfs/dbraw/zinc/09/84/96/988098496.db2.gz	BURLUERIPIGFTO-MRXNPFEDSA-N	-1	1	371.393	1.982	20	10		FDCDMM
CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCC[C@H](O)C(=O)[O-])C1	ZINC001591636044	992947798	/nfs/dbraw/zinc/94/77/98/992947798.db2.gz	WQWURNWGAAKRLL-SFHVURJKSA-N	-1	1	373.453	1.360	20	10		FDCDMM
COc1ccc(N2CCN(C(=O)/N=c3/ccnc4n(C)[n-]cc3-4)CC2)cc1	ZINC000287713864	999959287	/nfs/dbraw/zinc/95/92/87/999959287.db2.gz	SDUHHKBQZWWLHB-XLNRJJMWSA-N	-1	1	366.425	1.705	20	10		FDCDMM
CC(=O)c1cc(Cl)cc(CN2CC[C@@H](S(=O)(=O)NC3CC3)C2)c1[O-]	ZINC000120497198	526086114	/nfs/dbraw/zinc/08/61/14/526086114.db2.gz	KEAGIJUSWXPTRW-CQSZACIVSA-N	-1	1	372.874	1.904	20	10		FDCDMM
COC(C)(C)CS(=O)(=O)NCc1cccc(Br)c1[O-]	ZINC000289742223	537586206	/nfs/dbraw/zinc/58/62/06/537586206.db2.gz	FWWJJEMULBVNAK-UHFFFAOYSA-N	-1	1	352.250	1.999	20	10		FDCDMM
Cc1nsc(N2CCCN(C(=O)c3c(F)ccc(O)c3[O-])CC2)n1	ZINC000276637457	537596543	/nfs/dbraw/zinc/59/65/43/537596543.db2.gz	UJWALUJVHQFQLR-UHFFFAOYSA-N	-1	1	352.391	1.749	20	10		FDCDMM
CS(=O)(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)c1c(F)ccc(O)c1[O-]	ZINC000295321901	537712292	/nfs/dbraw/zinc/71/22/92/537712292.db2.gz	PSBQJCVYPWGZRT-MWLCHTKSSA-N	-1	1	360.407	1.075	20	10		FDCDMM
CS(=O)(=O)c1ccccc1S(=O)(=O)Nc1ccc(O)cc1C(=O)[O-]	ZINC000728149932	605523449	/nfs/dbraw/zinc/52/34/49/605523449.db2.gz	WCXDIRABYUGRSS-UHFFFAOYSA-N	-1	1	371.392	1.295	20	10		FDCDMM
CN(C)c1ccc(CNC(=O)COc2cccc(F)c2-c2nnn[n-]2)cc1	ZINC000825879131	607864497	/nfs/dbraw/zinc/86/44/97/607864497.db2.gz	HQUABMFRAVQARU-UHFFFAOYSA-N	-1	1	370.388	1.767	20	10		FDCDMM
CN(C)c1ccc(CNC(=O)COc2cccc(F)c2-c2nn[n-]n2)cc1	ZINC000825879131	607864498	/nfs/dbraw/zinc/86/44/98/607864498.db2.gz	HQUABMFRAVQARU-UHFFFAOYSA-N	-1	1	370.388	1.767	20	10		FDCDMM
OC1CCN(c2ccc(CNc3ccc(-c4nnn[n-]4)nn3)cc2F)CC1	ZINC000826507542	607989315	/nfs/dbraw/zinc/98/93/15/607989315.db2.gz	QIRQIXNQKRFZKA-UHFFFAOYSA-N	-1	1	370.392	1.369	20	10		FDCDMM
OC1CCN(c2ccc(CNc3ccc(-c4nn[n-]n4)nn3)cc2F)CC1	ZINC000826507542	607989316	/nfs/dbraw/zinc/98/93/16/607989316.db2.gz	QIRQIXNQKRFZKA-UHFFFAOYSA-N	-1	1	370.392	1.369	20	10		FDCDMM
COc1ccc(N2CCC(Nc3ccc(-c4nnn[n-]4)nn3)CC2)cc1	ZINC000826208947	607990602	/nfs/dbraw/zinc/99/06/02/607990602.db2.gz	GVMRCPPKUYVAPE-UHFFFAOYSA-N	-1	1	352.402	1.746	20	10		FDCDMM
COc1ccc(N2CCC(Nc3ccc(-c4nn[n-]n4)nn3)CC2)cc1	ZINC000826208947	607990603	/nfs/dbraw/zinc/99/06/03/607990603.db2.gz	GVMRCPPKUYVAPE-UHFFFAOYSA-N	-1	1	352.402	1.746	20	10		FDCDMM
COCCN(C)S(=O)(=O)NCc1cccc(Br)c1[O-]	ZINC000277533219	674962910	/nfs/dbraw/zinc/96/29/10/674962910.db2.gz	VIGTUSSQBNRPRN-UHFFFAOYSA-N	-1	1	353.238	1.067	20	10		FDCDMM
CC(C)(C(=O)NCc1cccc(Br)c1[O-])N1CCOCC1	ZINC000283747199	675660833	/nfs/dbraw/zinc/66/08/33/675660833.db2.gz	IBGVWGHSGQZHIL-UHFFFAOYSA-N	-1	1	357.248	1.882	20	10		FDCDMM
Cc1cccc(=O)n1C[C@](C)(O)C(=O)NCc1cccc(Cl)c1[O-]	ZINC000890759502	771604323	/nfs/dbraw/zinc/60/43/23/771604323.db2.gz	LOZLVSNBQXUELB-KRWDZBQOSA-N	-1	1	350.802	1.583	20	10		FDCDMM
Cn1cnc(-c2ccc(C(=O)Nc3n[n-]c(C4=S=CC=C4)n3)cc2)n1	ZINC000780371514	776964216	/nfs/dbraw/zinc/96/42/16/776964216.db2.gz	VACKRLLZVSHPPY-UHFFFAOYSA-N	-1	1	351.395	1.478	20	10		FDCDMM
Cn1cnc(-c2ccc(C(=O)Nc3nc(C4=S=CC=C4)n[n-]3)cc2)n1	ZINC000780371514	776964218	/nfs/dbraw/zinc/96/42/18/776964218.db2.gz	VACKRLLZVSHPPY-UHFFFAOYSA-N	-1	1	351.395	1.478	20	10		FDCDMM
CN1CCN(C(=O)CCNC(=O)NCc2cccc(Cl)c2[O-])CC1	ZINC000891878309	779920615	/nfs/dbraw/zinc/92/06/15/779920615.db2.gz	HKDSKWGVHJEVBH-UHFFFAOYSA-N	-1	1	354.838	1.009	20	10		FDCDMM
O=C(CN1CC(=O)Nc2ccccc21)OCC(=O)c1ccc([O-])c(O)c1	ZINC000783674140	830286635	/nfs/dbraw/zinc/28/66/35/830286635.db2.gz	RJMZZYRPDDHMCK-UHFFFAOYSA-N	-1	1	356.334	1.282	20	10		FDCDMM
CN(CC(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O)[C@@H]1CCSC1	ZINC000911360872	858521024	/nfs/dbraw/zinc/52/10/24/858521024.db2.gz	ZUBCSOYGRJXROQ-CYBMUJFWSA-N	-1	1	372.874	1.896	20	10		FDCDMM
COC(=O)c1cnc(C(=O)NCc2cccc(Br)c2[O-])cn1	ZINC000765736517	908453107	/nfs/dbraw/zinc/45/31/07/908453107.db2.gz	MZNCCYISZQGQIX-UHFFFAOYSA-N	-1	1	366.171	1.661	20	10		FDCDMM
Cn1cc(C[C@H](O)C(=O)NCc2cccc(Br)c2[O-])cn1	ZINC000765764455	909134925	/nfs/dbraw/zinc/13/49/25/909134925.db2.gz	KHGMHTYPGZQRGM-LBPRGKRZSA-N	-1	1	354.204	1.108	20	10		FDCDMM
CC(C)CN1C(=O)C(=CNC[C@H]2COc3ccccc3C2)C(=O)[N-]C1=S	ZINC000730970350	917539127	/nfs/dbraw/zinc/53/91/27/917539127.db2.gz	ZJRFOHMCNMCJIQ-NCPSJORJSA-N	-1	1	373.478	1.611	20	10		FDCDMM
COC(=O)c1ccc(-c2nnn(CC(=O)c3ccc([O-])c(O)c3)n2)cc1	ZINC000741855261	925877231	/nfs/dbraw/zinc/87/72/31/925877231.db2.gz	HHSIVKROVAZZPD-UHFFFAOYSA-N	-1	1	354.322	1.421	20	10		FDCDMM
COC(=O)COc1ccc(C=C2SC(=S)[N-]C2=O)cc1[N+](=O)[O-]	ZINC000788688603	932776220	/nfs/dbraw/zinc/77/62/20/932776220.db2.gz	JLUINQZOFQTOCA-BJMVGYQFSA-N	-1	1	354.365	1.635	20	10		FDCDMM
CN(C)S(=O)(=O)c1ccccc1CNC(=O)c1c(F)ccc(O)c1[O-]	ZINC000789947032	933265165	/nfs/dbraw/zinc/26/51/65/933265165.db2.gz	VXBDDJDHDPNRTO-UHFFFAOYSA-N	-1	1	368.386	1.417	20	10		FDCDMM
O=C(NC[C@@H](O)COc1ccc(F)c(F)c1)c1c(F)ccc(O)c1[O-]	ZINC000789995608	933293399	/nfs/dbraw/zinc/29/33/99/933293399.db2.gz	IZYQUVCBDAGKDY-MRVPVSSYSA-N	-1	1	357.284	1.685	20	10		FDCDMM
COc1cc(CNC(=O)c2c(F)ccc(O)c2[O-])ccc1OCC(N)=O	ZINC000790069798	933330956	/nfs/dbraw/zinc/33/09/56/933330956.db2.gz	URCYMTNWIXEJLS-UHFFFAOYSA-N	-1	1	364.329	1.040	20	10		FDCDMM
O=C(NC[C@@H]1CCCCN1C(=O)C(F)(F)F)c1c(F)ccc(O)c1[O-]	ZINC000844149883	947805664	/nfs/dbraw/zinc/80/56/64/947805664.db2.gz	CZMPQTGEXCBKQL-QMMMGPOBSA-N	-1	1	364.295	1.910	20	10		FDCDMM
CCn1cc(S(=O)(=O)[N-][C@@H](C)c2ccc(N(C)C)cc2)c([N+](=O)[O-])n1	ZINC000773083948	955291216	/nfs/dbraw/zinc/29/12/16/955291216.db2.gz	MSMDYNCVKHVGRV-NSHDSACASA-N	-1	1	367.431	1.917	20	10		FDCDMM
O=C(CCCNC(=O)c1ccccc1)NCC(=O)c1ccc([O-])c(O)c1	ZINC001180963431	960465799	/nfs/dbraw/zinc/46/57/99/960465799.db2.gz	CWYZMZMAQNKIPG-UHFFFAOYSA-N	-1	1	356.378	1.607	20	10		FDCDMM
O=C(NCCS(=O)(=O)CCc1ccccc1)c1c([O-])c(O)ccc1F	ZINC001183267954	962952355	/nfs/dbraw/zinc/95/23/55/962952355.db2.gz	JZECVJZULFPFBO-UHFFFAOYSA-N	-1	1	367.398	1.624	20	10		FDCDMM
Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)NC[C@H]3C[C@@H](O)C3)cc12	ZINC001184362156	963543513	/nfs/dbraw/zinc/54/35/13/963543513.db2.gz	NALCLQDVXNRLSB-XBXGTLAGSA-N	-1	1	360.410	1.126	20	10		FDCDMM
COc1cc([N-]S(=O)(=O)c2ccc(N3CCOCC3)nc2)ccc1O	ZINC001188518944	966356546	/nfs/dbraw/zinc/35/65/46/966356546.db2.gz	VHLJSWGIUVSLLG-UHFFFAOYSA-N	-1	1	365.411	1.433	20	10		FDCDMM
COc1cnc(O[C@H]2CCN(C(=O)c3ccc(O)c([O-])c3Cl)C2)nc1	ZINC001193232820	969563396	/nfs/dbraw/zinc/56/33/96/969563396.db2.gz	QHCAJIPUXOWZFK-VIFPVBQESA-N	-1	1	365.773	1.843	20	10		FDCDMM
CC(C)NC(=O)CN1CCN(C(=O)c2ccc(O)c([O-])c2Cl)CC1	ZINC001193225973	969594220	/nfs/dbraw/zinc/59/42/20/969594220.db2.gz	UOCYGAOKJQXDSP-UHFFFAOYSA-N	-1	1	355.822	1.034	20	10		FDCDMM
COC(=O)c1cc([N-]S(=O)(=O)c2ccc3nccnc3c2)ccc1O	ZINC001198145215	972807848	/nfs/dbraw/zinc/80/78/48/972807848.db2.gz	SUFDRBMGEGWVBA-UHFFFAOYSA-N	-1	1	359.363	1.923	20	10		FDCDMM
COc1ccc(O)c([C@@H](C)NC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)c1	ZINC000104900699	973997530	/nfs/dbraw/zinc/99/75/30/973997530.db2.gz	DHDFYUUJPJEDHN-LLVKDONJSA-N	-1	1	370.409	1.774	20	10		FDCDMM
COc1cc(S(=O)(=O)Nc2ccc(O)cc2C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000776434262	977496742	/nfs/dbraw/zinc/49/67/42/977496742.db2.gz	BCEJOCHPQMUCGX-UHFFFAOYSA-N	-1	1	368.323	1.808	20	10		FDCDMM
C[C@H]1COCC[C@@H]1S(=O)(=O)NCc1cccc(Br)c1[O-]	ZINC000882131676	980439298	/nfs/dbraw/zinc/43/92/98/980439298.db2.gz	KAMXLHATAACDAT-CABZTGNLSA-N	-1	1	364.261	1.999	20	10		FDCDMM
CN1C(=O)C2(CCOCC2)N[C@@H]1c1cc(O)cc(Br)c1[O-]	ZINC000887335961	997173705	/nfs/dbraw/zinc/17/37/05/997173705.db2.gz	RCYOQEGKCRQLLM-LBPRGKRZSA-N	-1	1	357.204	1.470	20	10		FDCDMM
COc1c([O-])c(C[N@H+](CCC(=O)[O-])C[C@@H]2CCCO2)ccc1[N+](=O)[O-]	ZINC001599344435	997978163	/nfs/dbraw/zinc/97/81/63/997978163.db2.gz	IXSCVPOSZJUKMV-LBPRGKRZSA-N	-1	1	354.359	1.765	20	10		FDCDMM
COc1c([O-])c(C[N@@H+](CCC(=O)[O-])C[C@@H]2CCCO2)ccc1[N+](=O)[O-]	ZINC001599344435	997978175	/nfs/dbraw/zinc/97/81/75/997978175.db2.gz	IXSCVPOSZJUKMV-LBPRGKRZSA-N	-1	1	354.359	1.765	20	10		FDCDMM
CCc1noc(COCC(=O)NCc2cccc(Br)c2[O-])n1	ZINC000935662206	1005953121	/nfs/dbraw/zinc/95/31/21/1005953121.db2.gz	ANSZRGJDVRQUID-UHFFFAOYSA-N	-1	1	370.203	1.933	20	10		FDCDMM
COc1cc([N-]S(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)ccc1O	ZINC000799125189	1007022483	/nfs/dbraw/zinc/02/24/83/1007022483.db2.gz	IRROHBCMHXJOBW-UHFFFAOYSA-N	-1	1	356.787	1.954	20	10		FDCDMM
CN(C)c1ccc2c(c1)OCCN2C(=O)CNC(=O)c1ncccc1[O-]	ZINC000511071417	781980550	/nfs/dbraw/zinc/98/05/50/781980550.db2.gz	DXLBUZNDBNZGEM-UHFFFAOYSA-N	-1	1	356.382	1.009	20	10		FDCDMM
O=C(NCCN1CCOCC1)NCc1cccc(Br)c1[O-]	ZINC000278437729	537326260	/nfs/dbraw/zinc/32/62/60/537326260.db2.gz	SIWVURQKIASEGE-UHFFFAOYSA-N	-1	1	358.236	1.286	20	10		FDCDMM
COc1c([O-])c(C[N@H+]2CCCC[C@H](S(C)(=O)=O)C2)ccc1[N+](=O)[O-]	ZINC000278575411	537338900	/nfs/dbraw/zinc/33/89/00/537338900.db2.gz	CPKCMCFHJLGGDZ-LBPRGKRZSA-N	-1	1	358.416	1.708	20	10		FDCDMM
CCN1CCN(c2ccc(CNC(=O)[C@@H](C)NC(=O)[O-])cc2F)CC1	ZINC000739456741	602753062	/nfs/dbraw/zinc/75/30/62/602753062.db2.gz	OVRHCJLZMXJYAE-GFCCVEGCSA-N	-1	1	352.410	1.240	20	10		FDCDMM
CN(CC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C(=O)[O-]	ZINC000828102038	605521743	/nfs/dbraw/zinc/52/17/43/605521743.db2.gz	DEQMWZGMYGRDKZ-ZDUSSCGKSA-N	-1	1	355.822	1.736	20	10		FDCDMM
O=C(NCCN1C(=O)CCC1=O)NCc1cccc(Br)c1[O-]	ZINC000277637940	674985871	/nfs/dbraw/zinc/98/58/71/674985871.db2.gz	XPAHSVTURISVCB-UHFFFAOYSA-N	-1	1	370.203	1.103	20	10		FDCDMM
O=C1[N-]C(=S)NC(=O)/C1=C\NN=c1nc[nH]c2sc3c(c21)CCC3	ZINC000029009517	670800551	/nfs/dbraw/zinc/80/05/51/670800551.db2.gz	DZERBLPSEHEHGD-UHFFFAOYSA-N	-1	1	360.424	1.352	20	10		FDCDMM
O=C1[N-]C(=S)NC(=O)/C1=C/NN=c1nc[nH]c2sc3c(c21)CCC3	ZINC000029009517	670800558	/nfs/dbraw/zinc/80/05/58/670800558.db2.gz	DZERBLPSEHEHGD-UHFFFAOYSA-N	-1	1	360.424	1.352	20	10		FDCDMM
O=C1[N-]C(=S)NC(=O)C1=CNN=c1nc[nH]c2sc3c(c21)CCC3	ZINC000029009517	670800566	/nfs/dbraw/zinc/80/05/66/670800566.db2.gz	DZERBLPSEHEHGD-UHFFFAOYSA-N	-1	1	360.424	1.352	20	10		FDCDMM
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Cc1sc(N)nc1[O-]	ZINC000120835100	671696385	/nfs/dbraw/zinc/69/63/85/671696385.db2.gz	KGLYFVPDLRRYFW-OAHLLOKOSA-N	-1	1	360.483	1.982	20	10		FDCDMM
C[N-]S(=O)(=O)c1cc(C(=O)NCc2ccc(N(C)C)cc2C)co1	ZINC000152097824	671877785	/nfs/dbraw/zinc/87/77/85/671877785.db2.gz	AKQDYXLSUZMAGN-UHFFFAOYSA-N	-1	1	351.428	1.492	20	10		FDCDMM
CC(=O)c1cc(Cl)cc(CN2CCC[C@@H](NS(C)(=O)=O)C2)c1[O-]	ZINC000177255459	672123705	/nfs/dbraw/zinc/12/37/05/672123705.db2.gz	SBDNNEYFMYOWGH-CYBMUJFWSA-N	-1	1	360.863	1.762	20	10		FDCDMM
CCN1C(=O)[C@@H]2CN(Cc3cc(Cl)cc(C(C)=O)c3[O-])CCN2C1=O	ZINC000375880624	678189885	/nfs/dbraw/zinc/18/98/85/678189885.db2.gz	NTUKOEMTBSBGJU-AWEZNQCLSA-N	-1	1	365.817	1.717	20	10		FDCDMM
CN1CCN(c2ccc(CNC(=O)NCCC(C)(C)C(=O)[O-])cc2)CC1	ZINC000898841442	845331283	/nfs/dbraw/zinc/33/12/83/845331283.db2.gz	OFCCWVKGPPJQNC-UHFFFAOYSA-N	-1	1	362.474	1.739	20	10		FDCDMM
CN1CCN(c2ccc(CNC(=O)N3CC[C@](C)(C(=O)[O-])C3)cc2)CC1	ZINC000898860512	845341156	/nfs/dbraw/zinc/34/11/56/845341156.db2.gz	OABZDEUKKYTKKM-IBGZPJMESA-N	-1	1	360.458	1.445	20	10		FDCDMM
O=C(C1CCCC1)N1CC(S(=O)(=O)NCc2cccc(Cl)c2[O-])C1	ZINC000908326839	855338961	/nfs/dbraw/zinc/33/89/61/855338961.db2.gz	DWFBGCLNUOJYGH-UHFFFAOYSA-N	-1	1	372.874	1.866	20	10		FDCDMM
Cc1c(S(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)cnn1-c1ccccn1	ZINC000765096103	906361325	/nfs/dbraw/zinc/36/13/25/906361325.db2.gz	SJEISTZYHZJFDA-UHFFFAOYSA-N	-1	1	374.378	1.780	20	10		FDCDMM
O=C(NCc1cccc(Br)c1[O-])[C@H]1CC(=O)N(C2CC2)C1	ZINC000765754235	908722925	/nfs/dbraw/zinc/72/29/25/908722925.db2.gz	SYTSQDNTGNXJBN-JTQLQIEISA-N	-1	1	353.216	1.782	20	10		FDCDMM
COCC[C@H](C)S(=O)(=O)NCc1cccc(Br)c1[O-]	ZINC000766199595	922511528	/nfs/dbraw/zinc/51/15/28/922511528.db2.gz	FXQYBFMZBNCTPF-VIFPVBQESA-N	-1	1	352.250	1.999	20	10		FDCDMM
NC(=O)c1cc2c([nH]c1=O)CCC[C@@H]2NC(=O)c1c(F)ccc(O)c1[O-]	ZINC000790069384	933331008	/nfs/dbraw/zinc/33/10/08/933331008.db2.gz	ASTFLVVBUWPCJE-NSHDSACASA-N	-1	1	361.329	1.244	20	10		FDCDMM
O=C(c1ccccc1O)N1CCN(C(=O)c2c([O-])c(O)ccc2F)CC1	ZINC000790069219	933331758	/nfs/dbraw/zinc/33/17/58/933331758.db2.gz	OBNKQSGLLWEKER-UHFFFAOYSA-N	-1	1	360.341	1.541	20	10		FDCDMM
COc1ccc(S(=O)(=O)[N-]c2cccc(N3CC[NH+](C)CC3)c2)cn1	ZINC001195716740	971181496	/nfs/dbraw/zinc/18/14/96/971181496.db2.gz	KNYLXQSVRIAGLG-UHFFFAOYSA-N	-1	1	362.455	1.643	20	10		FDCDMM
COc1ccc(N2CCN(CCCNc3ncncc3C(=O)[O-])CC2)cc1	ZINC000844207108	947874726	/nfs/dbraw/zinc/87/47/26/947874726.db2.gz	XSBSOBMVIVUDED-UHFFFAOYSA-N	-1	1	371.441	1.808	20	10		FDCDMM
O=C(NCc1cccc(Br)c1[O-])[C@H]1CCCS(=O)(=O)C1	ZINC000846016192	950336995	/nfs/dbraw/zinc/33/69/95/950336995.db2.gz	QONITQJYKJDGDQ-JTQLQIEISA-N	-1	1	362.245	1.596	20	10		FDCDMM
O=C(CNC(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1)c1ccc([O-])c(O)c1	ZINC001145006172	951735475	/nfs/dbraw/zinc/73/54/75/951735475.db2.gz	ZZRNCOFEIPVPMN-CYBMUJFWSA-N	-1	1	360.410	1.578	20	10		FDCDMM
C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)co1	ZINC000772999816	953300559	/nfs/dbraw/zinc/30/05/59/953300559.db2.gz	MRQGLARRWZSLEO-LLVKDONJSA-N	-1	1	351.428	1.745	20	10		FDCDMM
O=C([O-])[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)C1=CC(=O)CS1	ZINC001594891948	954539382	/nfs/dbraw/zinc/53/93/82/954539382.db2.gz	ZPQNQMJCGBOROI-IONNQARKSA-N	-1	1	366.317	1.190	20	10		FDCDMM
C[C@@]1(c2cccc(CNC(=O)c3c(F)ccc(O)c3[O-])c2)NC(=O)NC1=O	ZINC001182551614	962276078	/nfs/dbraw/zinc/27/60/78/962276078.db2.gz	FXGWDEKVOWOVFK-SFHVURJKSA-N	-1	1	373.340	1.222	20	10		FDCDMM
Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)N3C[C@H](O)[C@@H](C)C3)cc12	ZINC001184356765	963539979	/nfs/dbraw/zinc/53/99/79/963539979.db2.gz	OTCJFPCRVJNPFX-LRDDRELGSA-N	-1	1	360.410	1.078	20	10		FDCDMM
Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)N[C@]3(C)CCCOC3)cc12	ZINC001184363486	963543130	/nfs/dbraw/zinc/54/31/30/963543130.db2.gz	QIHVGGCZCNLKPC-HXUWFJFHSA-N	-1	1	374.437	1.924	20	10		FDCDMM
Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)NCCOC(C)C)cc12	ZINC001184355051	963558756	/nfs/dbraw/zinc/55/87/56/963558756.db2.gz	OFJIXBUUDRAJTB-UHFFFAOYSA-N	-1	1	362.426	1.780	20	10		FDCDMM
O=C(CNC(=O)[C@@H]1CN(Cc2ccccc2)CCO1)c1ccc([O-])c(O)c1	ZINC001178996004	964608805	/nfs/dbraw/zinc/60/88/05/964608805.db2.gz	BZHPGGDICYJBLX-IBGZPJMESA-N	-1	1	370.405	1.298	20	10		FDCDMM
CS(=O)(=O)N1CCC(CNC(=O)c2ccc(O)c([O-])c2Cl)CC1	ZINC001193247163	969574048	/nfs/dbraw/zinc/57/40/48/969574048.db2.gz	NGDZXOFASSVNCO-UHFFFAOYSA-N	-1	1	362.835	1.153	20	10		FDCDMM
Cn1c(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])nnc1C1CC1	ZINC000855252204	970242369	/nfs/dbraw/zinc/24/23/69/970242369.db2.gz	WRIKZISNZQMUBF-UHFFFAOYSA-N	-1	1	351.388	1.022	20	10		FDCDMM
CN1CCN(c2ccc(CNC(=O)Nc3ccnc(C(=O)[O-])c3)cc2)CC1	ZINC001604227720	972726067	/nfs/dbraw/zinc/72/60/67/972726067.db2.gz	LDBAMMACTBCUCM-UHFFFAOYSA-N	-1	1	369.425	1.853	20	10		FDCDMM
COC(=O)c1cc(O)c(F)cc1NS(=O)(=O)c1ccccc1C(=O)[O-]	ZINC001198782498	973467590	/nfs/dbraw/zinc/46/75/90/973467590.db2.gz	KFZUMIWWPHSVFN-UHFFFAOYSA-N	-1	1	369.326	1.817	20	10		FDCDMM
COc1ccc(N2CC[C@@H]([N-]S(=O)(=O)N=S3(=O)CCCC3)C2)cc1	ZINC000867496896	976255091	/nfs/dbraw/zinc/25/50/91/976255091.db2.gz	KEPHZRCZJKYGSP-CYBMUJFWSA-N	-1	1	373.500	1.370	20	10		FDCDMM
CN1CCOC[C@@H]1CNC(=O)NCc1cccc(Br)c1[O-]	ZINC000858840384	982325184	/nfs/dbraw/zinc/32/51/84/982325184.db2.gz	RMODEGWAHGCQNP-NSHDSACASA-N	-1	1	358.236	1.285	20	10		FDCDMM
COc1ccc(O)c([C@H](C)[N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])c1	ZINC000859007206	982453741	/nfs/dbraw/zinc/45/37/41/982453741.db2.gz	VQHMORCGQKUMCP-QMMMGPOBSA-N	-1	1	356.360	1.082	20	10		FDCDMM
CCc1noc([C@H]2C[C@H](O)CN2Cc2ccc([N+](=O)[O-])c(OC)c2[O-])n1	ZINC000373488763	992245657	/nfs/dbraw/zinc/24/56/57/992245657.db2.gz	HZUDBWZKXWZCHG-CMPLNLGQSA-N	-1	1	364.358	1.562	20	10		FDCDMM
CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC[C@](C)(O)C(=O)[O-])C1	ZINC001591634913	992942168	/nfs/dbraw/zinc/94/21/68/992942168.db2.gz	FVJVRZAZFAVGQM-FQEVSTJZSA-N	-1	1	373.453	1.360	20	10		FDCDMM
Cn1c(CNC(=O)C=Cc2ccc(N3CCOCC3)cc2)n[n-]c1=S	ZINC000067050049	523305097	/nfs/dbraw/zinc/30/50/97/523305097.db2.gz	JFVGBTRPXOGPHU-QPJJXVBHSA-N	-1	1	359.455	1.644	20	10		FDCDMM
C[N-]S(=O)(=O)c1cc(C(=O)NCc2ccc(N3CCCC3)cc2)co1	ZINC000179293711	525553550	/nfs/dbraw/zinc/55/35/50/525553550.db2.gz	XJWAGVBZAWLVOJ-UHFFFAOYSA-N	-1	1	363.439	1.718	20	10		FDCDMM
O=C(NCc1cccnc1)C1CCN(C(=O)c2c(F)ccc(O)c2[O-])CC1	ZINC000276531819	537573757	/nfs/dbraw/zinc/57/37/57/537573757.db2.gz	HNMLVRXICLKHRB-UHFFFAOYSA-N	-1	1	373.384	1.801	20	10		FDCDMM
CS(=O)(=O)N[C@H]1CCCC[C@@H]1CNC(=O)c1c(F)ccc(O)c1[O-]	ZINC000295321897	537712210	/nfs/dbraw/zinc/71/22/10/537712210.db2.gz	PSBQJCVYPWGZRT-KOLCDFICSA-N	-1	1	360.407	1.075	20	10		FDCDMM
Cc1cnn(C)c1S(=O)(=O)NCc1cccc(Br)c1[O-]	ZINC000285569482	537731268	/nfs/dbraw/zinc/73/12/68/537731268.db2.gz	JNJXESPRHOQKOH-UHFFFAOYSA-N	-1	1	360.233	1.675	20	10		FDCDMM
C[C@@H](NC(=O)[O-])C1CCN(CC(=O)NCc2ccc(N(C)C)cc2)CC1	ZINC000739023498	602445445	/nfs/dbraw/zinc/44/54/45/602445445.db2.gz	GPORBUVSOHMVBD-CQSZACIVSA-N	-1	1	362.474	1.737	20	10		FDCDMM
Cn1cc(C=C2SC(=S)[N-]C2=O)c(-c2ccc(-c3nn[nH]n3)cc2)n1	ZINC000826359325	609303096	/nfs/dbraw/zinc/30/30/96/609303096.db2.gz	CKMLYGHMLRIXCI-IZZDOVSWSA-N	-1	1	369.435	1.756	20	10		FDCDMM
CCN(Cc1ccc([N+](=O)[O-])c(OC)c1[O-])[C@H](C)CS(=O)(=O)CC	ZINC000278286699	675117477	/nfs/dbraw/zinc/11/74/77/675117477.db2.gz	UKNSKMMKLCRLKX-LLVKDONJSA-N	-1	1	360.432	1.954	20	10		FDCDMM
COC(=O)c1coc(S(=O)(=O)[N-]Cc2ccc3c(c2)CCCN3C)c1	ZINC000152431286	671882948	/nfs/dbraw/zinc/88/29/48/671882948.db2.gz	XMXWEYWMFFJFDN-UHFFFAOYSA-N	-1	1	364.423	1.927	20	10		FDCDMM
COc1ncccc1-c1noc(-c2cc(NS(C)(=O)=O)ccc2[O-])n1	ZINC000761691549	874016402	/nfs/dbraw/zinc/01/64/02/874016402.db2.gz	RKULTFVQUMEJMJ-UHFFFAOYSA-N	-1	1	362.367	1.884	20	10		FDCDMM
O=C1OCc2ccc(S(=O)(=O)[N-]c3cccc(N4CCOCC4)c3)cc21	ZINC000917762020	883732135	/nfs/dbraw/zinc/73/21/35/883732135.db2.gz	OBCOYBDLBBRRPU-UHFFFAOYSA-N	-1	1	374.418	1.994	20	10		FDCDMM
CCn1nccc1NC(=O)C(=O)NCc1cccc(Br)c1[O-]	ZINC000765903813	897269719	/nfs/dbraw/zinc/26/97/19/897269719.db2.gz	MWDVFPQQRXATES-UHFFFAOYSA-N	-1	1	367.203	1.626	20	10		FDCDMM
Cc1cc(NC(=O)C(=O)NCc2cccc(Br)c2[O-])nn1C	ZINC000765926319	898017875	/nfs/dbraw/zinc/01/78/75/898017875.db2.gz	LEXWTYNEDIJKAQ-UHFFFAOYSA-N	-1	1	367.203	1.452	20	10		FDCDMM
CC1(C)C(=O)NC(=O)N1CC(=O)NCc1cccc(Br)c1[O-]	ZINC000765756408	908843093	/nfs/dbraw/zinc/84/30/93/908843093.db2.gz	MVSJTGDGFSMFBR-UHFFFAOYSA-N	-1	1	370.203	1.101	20	10		FDCDMM
COc1cnc(F)c(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1	ZINC001169361645	928472503	/nfs/dbraw/zinc/47/25/03/928472503.db2.gz	SALPBYOXYJILKA-UHFFFAOYSA-N	-1	1	355.347	1.559	20	10		FDCDMM
COc1ccc(C)nc1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000769937493	929769121	/nfs/dbraw/zinc/76/91/21/929769121.db2.gz	OPFJPNSDJJQKOX-UHFFFAOYSA-N	-1	1	351.384	1.728	20	10		FDCDMM
NC(=O)c1ccc(OCCC(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1	ZINC000786127629	931785799	/nfs/dbraw/zinc/78/57/99/931785799.db2.gz	ZKSLTIPOMCXPCF-UHFFFAOYSA-N	-1	1	359.334	1.392	20	10		FDCDMM
CCCN(CCC)S(=O)(=O)Nc1ccc([O-])c(S(=O)(=O)NC)c1	ZINC000790407257	933524567	/nfs/dbraw/zinc/52/45/67/933524567.db2.gz	KCBWGUFPHBAICM-UHFFFAOYSA-N	-1	1	365.477	1.079	20	10		FDCDMM
CN1CCN(c2ccc(C=Cc3[nH]c(=O)[n-]c(=O)c3[N+](=O)[O-])cc2)CC1	ZINC000806562626	939970670	/nfs/dbraw/zinc/97/06/70/939970670.db2.gz	KCLBZKMVUMBDIE-QPJJXVBHSA-N	-1	1	357.370	1.718	20	10		FDCDMM
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(S(=O)(=O)[N-]C)o1	ZINC000808095311	940518418	/nfs/dbraw/zinc/51/84/18/940518418.db2.gz	BVQQJDQKXTUIPE-UHFFFAOYSA-N	-1	1	359.400	1.309	20	10		FDCDMM
CC(=O)C(=O)COC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1	ZINC000808494093	940552010	/nfs/dbraw/zinc/55/20/10/940552010.db2.gz	KGQJRMYQUWSXNF-UHFFFAOYSA-N	-1	1	361.375	1.802	20	10		FDCDMM
COc1ccc(N2CCN(CCCNc3ccc(C(=O)[O-])nn3)CC2)cc1	ZINC000844206463	947875363	/nfs/dbraw/zinc/87/53/63/947875363.db2.gz	CAEXOLQHKMVOIY-UHFFFAOYSA-N	-1	1	371.441	1.808	20	10		FDCDMM
CCOC(=O)C1=C(O)CCN(C(=O)c2cc(=O)n(-c3ccccc3)[n-]2)CC1	ZINC001147885756	952557079	/nfs/dbraw/zinc/55/70/79/952557079.db2.gz	ZVPPFZJEFMAJPX-AWEZNQCLSA-N	-1	1	371.393	1.150	20	10		FDCDMM
COc1cccc(CS(=O)(=O)NCC(=O)c2ccc([O-])c(O)c2)c1	ZINC001197398469	972221192	/nfs/dbraw/zinc/22/11/92/972221192.db2.gz	LXUBCZBYALEGCE-UHFFFAOYSA-N	-1	1	351.380	1.409	20	10		FDCDMM
CN(CCn1cc(Br)cn1)C(=O)c1c([O-])c(O)ccc1F	ZINC001183658309	963232245	/nfs/dbraw/zinc/23/22/45/963232245.db2.gz	GJKAUDRQXDGASK-UHFFFAOYSA-N	-1	1	358.167	1.968	20	10		FDCDMM
O=C(CNC(=O)[C@@H]1CCCN(c2ccccn2)C1)c1ccc([O-])c(O)c1	ZINC001176971442	963624853	/nfs/dbraw/zinc/62/48/53/963624853.db2.gz	VZPZPGDTZQHYBD-CQSZACIVSA-N	-1	1	355.394	1.708	20	10		FDCDMM
O=C(c1ccc(O)c([O-])c1Cl)N1CCC2(CC1)CC(=O)NC(=O)C2	ZINC001193232270	969562437	/nfs/dbraw/zinc/56/24/37/969562437.db2.gz	HGNRCKFXGDOYDJ-UHFFFAOYSA-N	-1	1	352.774	1.410	20	10		FDCDMM
CS(=O)(=O)NC[C@@H]1CCCN(Cc2cc(Cl)cc(F)c2[O-])C1	ZINC000775634318	970658936	/nfs/dbraw/zinc/65/89/36/970658936.db2.gz	REHGWXACQBBFKA-JTQLQIEISA-N	-1	1	350.843	1.946	20	10		FDCDMM
CCN1CCN(c2ccc(CNC(=O)N[C@H](C)CC(=O)[O-])cc2F)CC1	ZINC001603764175	974213714	/nfs/dbraw/zinc/21/37/14/974213714.db2.gz	XURJSJMOPYVBCD-CYBMUJFWSA-N	-1	1	366.437	1.630	20	10		FDCDMM
C[C@H]([NH2+]CCC(=O)NCCC(=O)[O-])c1cc(Br)ccc1[O-]	ZINC001593262840	994557631	/nfs/dbraw/zinc/55/76/31/994557631.db2.gz	XSUZBJKTXLFCJV-VIFPVBQESA-N	-1	1	359.220	1.786	20	10		FDCDMM
COc1cc(Cl)cc(CN2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)c1O	ZINC001599420427	997584683	/nfs/dbraw/zinc/58/46/83/997584683.db2.gz	HTAVIGQGVZFAGO-LLVKDONJSA-N	-1	1	352.778	1.791	20	10		FDCDMM
COc1cc(N2CCN(C/C=C(\C)C(=O)[O-])CC2)cc(OC)c1OC	ZINC001599427347	997698533	/nfs/dbraw/zinc/69/85/33/997698533.db2.gz	NLQXXADADSQDIN-WLRTZDKTSA-N	-1	1	350.415	1.865	20	10		FDCDMM
COc1cc(N2CCN(C/C(C)=C/C(=O)[O-])CC2)cc(OC)c1OC	ZINC001599427319	997698737	/nfs/dbraw/zinc/69/87/37/997698737.db2.gz	MHYDGRBGPHYBMS-UKTHLTGXSA-N	-1	1	350.415	1.865	20	10		FDCDMM
O=C(NCCO[C@H]1CCOC1)NCc1cccc(Br)c1[O-]	ZINC000927520773	1000886073	/nfs/dbraw/zinc/88/60/73/1000886073.db2.gz	FGQHTUVRRNUHNB-NSHDSACASA-N	-1	1	359.220	1.759	20	10		FDCDMM
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000016498557	518760383	/nfs/dbraw/zinc/76/03/83/518760383.db2.gz	CWNFHVIGCISYET-UHFFFAOYSA-N	-1	1	372.381	1.804	20	10		FDCDMM
COCCN1C(=O)C(=CNCCc2ccc(Cl)cc2)C(=O)[N-]C1=S	ZINC000060862227	522420855	/nfs/dbraw/zinc/42/08/55/522420855.db2.gz	LAQXHOIKLUALHG-RAXLEYEMSA-N	-1	1	367.858	1.246	20	10		FDCDMM
COCCN1C(=O)C(=CNc2ccc(SC)cc2)C(=O)[N-]C1=S	ZINC000052536935	523197103	/nfs/dbraw/zinc/19/71/03/523197103.db2.gz	MMWBXZLXRGATCU-XFXZXTDPSA-N	-1	1	351.453	1.594	20	10		FDCDMM
O=C1NCCN1[C@@H]1CCCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1	ZINC000092188567	524851634	/nfs/dbraw/zinc/85/16/34/524851634.db2.gz	RVDRXZIALPKYAK-GFCCVEGCSA-N	-1	1	354.794	1.943	20	10		FDCDMM
CCNS(=O)(=O)[C@@H]1CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C1	ZINC000092842967	524924340	/nfs/dbraw/zinc/92/43/40/524924340.db2.gz	SERFQYNRSWUMQT-CYBMUJFWSA-N	-1	1	360.863	1.762	20	10		FDCDMM
CN(C)c1ccc2c(c1)OCCN2C(=O)c1cnc2n(C)[n-]cc-2c1=O	ZINC000182090491	526050731	/nfs/dbraw/zinc/05/07/31/526050731.db2.gz	XZBAHOJCTNCWGA-UHFFFAOYSA-N	-1	1	353.382	1.779	20	10		FDCDMM
COc1ccc(C[C@@H](CO)CNC(=O)c2c(F)ccc(O)c2[O-])cc1O	ZINC000295078298	537710277	/nfs/dbraw/zinc/71/02/77/537710277.db2.gz	IJKYHQJPYCMPQX-LLVKDONJSA-N	-1	1	365.357	1.532	20	10		FDCDMM
CN(CC(N)=O)Cc1cc(Br)cc(Br)c1[O-]	ZINC000271781344	674381068	/nfs/dbraw/zinc/38/10/68/674381068.db2.gz	GWPCTWYVKBGQFR-UHFFFAOYSA-N	-1	1	352.026	1.834	20	10		FDCDMM
CC(C)OCCS(=O)(=O)N1CCN(Cc2cccc(F)c2[O-])CC1	ZINC000272529244	674454509	/nfs/dbraw/zinc/45/45/09/674454509.db2.gz	ZLKFESBORUJBTH-UHFFFAOYSA-N	-1	1	360.451	1.404	20	10		FDCDMM
COc1ccc(N2CCN(C(=O)CNC3(C(=O)[O-])CCCC3)CC2)cc1	ZINC000738021941	600557679	/nfs/dbraw/zinc/55/76/79/600557679.db2.gz	KHEZSJCSZSVZAN-UHFFFAOYSA-N	-1	1	361.442	1.331	20	10		FDCDMM
O=C([O-])CN(Cc1cc(Cl)ccc1O)C[C@H](O)COC1CCOCC1	ZINC000833249218	601826251	/nfs/dbraw/zinc/82/62/51/601826251.db2.gz	MGOMPPWROQFKSM-AWEZNQCLSA-N	-1	1	373.833	1.489	20	10		FDCDMM
CC1CCN(CC(=O)NC[C@H](NC(=O)[O-])c2ccc(N(C)C)cc2)CC1	ZINC000825943609	604865616	/nfs/dbraw/zinc/86/56/16/604865616.db2.gz	FMLFIODAHDOCAR-KRWDZBQOSA-N	-1	1	362.474	1.909	20	10		FDCDMM
O=C([O-])NC1(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CC1	ZINC000832155955	605294845	/nfs/dbraw/zinc/29/48/45/605294845.db2.gz	VIPTXURSBJLZBO-CYBMUJFWSA-N	-1	1	367.833	1.926	20	10		FDCDMM
COc1ccc(N2CCCN(c3ccc(-c4nnn[n-]4)nn3)CC2)cc1	ZINC000826209288	608402039	/nfs/dbraw/zinc/40/20/39/608402039.db2.gz	VDZPNCACRFCOIT-UHFFFAOYSA-N	-1	1	352.402	1.382	20	10		FDCDMM
COc1ccc(N2CCCN(c3ccc(-c4nn[n-]n4)nn3)CC2)cc1	ZINC000826209288	608402041	/nfs/dbraw/zinc/40/20/41/608402041.db2.gz	VDZPNCACRFCOIT-UHFFFAOYSA-N	-1	1	352.402	1.382	20	10		FDCDMM
CC(C)N1C[C@H](NC(=O)NCc2cccc(Br)c2[O-])CC1=O	ZINC000277447859	674945007	/nfs/dbraw/zinc/94/50/07/674945007.db2.gz	NBYASBYDAYHUJD-LLVKDONJSA-N	-1	1	370.247	1.963	20	10		FDCDMM
CCOC(=O)[C@@]1(COC)CCCN(C(=O)c2c(F)ccc(O)c2[O-])C1	ZINC000295189495	676402070	/nfs/dbraw/zinc/40/20/70/676402070.db2.gz	SWPHKIXQALBYLY-KRWDZBQOSA-N	-1	1	355.362	1.669	20	10		FDCDMM
CC1(C)CN=C(N2CCN(C(=O)c3c(F)ccc(O)c3[O-])CC2)S1	ZINC000295821384	676411773	/nfs/dbraw/zinc/41/17/73/676411773.db2.gz	LVMBBANUCDHNDY-UHFFFAOYSA-N	-1	1	353.419	1.876	20	10		FDCDMM
CN(CC(=O)N1CCOCC1)Cc1cc(Br)cc(F)c1[O-]	ZINC000893902306	809794414	/nfs/dbraw/zinc/79/44/14/809794414.db2.gz	VBCWDTBDKVLZGV-UHFFFAOYSA-N	-1	1	361.211	1.584	20	10		FDCDMM
CC(C)(C)OC(=O)N1CCN(Cc2cc(F)c(F)cc2[O-])C[C@H]1C(N)=O	ZINC001142525138	840628465	/nfs/dbraw/zinc/62/84/65/840628465.db2.gz	ZACCTLQBBHEKSC-ZDUSSCGKSA-N	-1	1	371.384	1.577	20	10		FDCDMM
CN1CCN(c2ccc(CNC(=O)C(=O)[N-]OC3CCCCC3)cc2)CC1	ZINC000898323372	840943484	/nfs/dbraw/zinc/94/34/84/840943484.db2.gz	FXXVNOQAUKIROW-UHFFFAOYSA-N	-1	1	374.485	1.435	20	10		FDCDMM
O=C(COc1ccccc1)NCC(=O)OCC(=O)c1ccc([O-])c(O)c1	ZINC000916590477	881786163	/nfs/dbraw/zinc/78/61/63/881786163.db2.gz	DVOFFWIBQPVBBG-UHFFFAOYSA-N	-1	1	359.334	1.019	20	10		FDCDMM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(NC(N)=O)cc2)c1	ZINC000919810913	886214065	/nfs/dbraw/zinc/21/40/65/886214065.db2.gz	ULWHNPYOANRVHR-UHFFFAOYSA-N	-1	1	364.383	1.507	20	10		FDCDMM
CSc1nc2ccc(NC=C3C(=O)[N-]C(=S)NC3=O)cc2s1	ZINC000920977730	887362038	/nfs/dbraw/zinc/36/20/38/887362038.db2.gz	IYTFVSFTVFUYHO-UHFFFAOYSA-N	-1	1	350.450	1.845	20	10		FDCDMM
O=C(NCc1nnnn1C1CC1)NCc1cccc(Br)c1[O-]	ZINC000764792436	905697516	/nfs/dbraw/zinc/69/75/16/905697516.db2.gz	UEHYNNQWTAJDJV-UHFFFAOYSA-N	-1	1	367.207	1.476	20	10		FDCDMM
Cn1ccc(CCNC(=O)NCc2cccc(Br)c2[O-])n1	ZINC000764806075	905704424	/nfs/dbraw/zinc/70/44/24/905704424.db2.gz	NREZBRASDCTQIH-UHFFFAOYSA-N	-1	1	353.220	1.930	20	10		FDCDMM
O=C(NCc1cccc(Br)c1[O-])[C@]12CCC(=O)N1CCS2	ZINC000765733448	908386354	/nfs/dbraw/zinc/38/63/54/908386354.db2.gz	YSFQPWLFUZLCLE-CQSZACIVSA-N	-1	1	371.256	1.836	20	10		FDCDMM
NC(=O)N1CCC[C@@H](C(=O)NCc2cccc(Br)c2[O-])C1	ZINC000765757568	908871986	/nfs/dbraw/zinc/87/19/86/908871986.db2.gz	QOPDTPLMQNOMHJ-SNVBAGLBSA-N	-1	1	356.220	1.562	20	10		FDCDMM
CCc1nn(C)c(CC)c1S(=O)(=O)Nc1ccc(O)c(C(=O)[O-])c1	ZINC000766321351	926795836	/nfs/dbraw/zinc/79/58/36/926795836.db2.gz	MYSQSVAXQRUQPO-UHFFFAOYSA-N	-1	1	353.400	1.750	20	10		FDCDMM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(-n3ccnn3)cc2)c1	ZINC000769753193	929641796	/nfs/dbraw/zinc/64/17/96/929641796.db2.gz	OIQCPUFIKUFUOK-UHFFFAOYSA-N	-1	1	373.394	1.597	20	10		FDCDMM
Cc1ccc(S(=O)(=O)NCCNC(=O)c2c(F)ccc(O)c2[O-])cc1	ZINC000789953459	933266638	/nfs/dbraw/zinc/26/66/38/933266638.db2.gz	VUASWVWPHPSGGV-UHFFFAOYSA-N	-1	1	368.386	1.254	20	10		FDCDMM
O=C(NCc1cccc(Br)c1[O-])[C@H]1CCc2nncn2C1	ZINC000816496668	942224929	/nfs/dbraw/zinc/22/49/29/942224929.db2.gz	RINQCMXPDNPZPP-JTQLQIEISA-N	-1	1	351.204	1.625	20	10		FDCDMM
CCN(CC)c1ccc(CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1	ZINC000821197922	945654233	/nfs/dbraw/zinc/65/42/33/945654233.db2.gz	OQFGHJWBJKAZKS-UHFFFAOYSA-N	-1	1	369.433	1.768	20	10		FDCDMM
CCN(CC)c1ccc(CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1	ZINC000821197922	945654237	/nfs/dbraw/zinc/65/42/37/945654237.db2.gz	OQFGHJWBJKAZKS-UHFFFAOYSA-N	-1	1	369.433	1.768	20	10		FDCDMM
O=C(NCC[C@@]1(O)CCOC1)NCc1cccc(Br)c1[O-]	ZINC000845454928	949243571	/nfs/dbraw/zinc/24/35/71/949243571.db2.gz	KTOUMUKZNQNVEP-CQSZACIVSA-N	-1	1	359.220	1.495	20	10		FDCDMM
CN(CCOCc1ccccc1)Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1	ZINC000846257553	950809148	/nfs/dbraw/zinc/80/91/48/950809148.db2.gz	RTIUATHVDPKRGE-UHFFFAOYSA-N	-1	1	356.382	1.782	20	10		FDCDMM
O=C(CNC(=O)[C@H]1CC(=O)N(C2CCCCC2)C1)c1ccc([O-])c(O)c1	ZINC001145006173	951735106	/nfs/dbraw/zinc/73/51/06/951735106.db2.gz	ZZRNCOFEIPVPMN-ZDUSSCGKSA-N	-1	1	360.410	1.578	20	10		FDCDMM
COC(=O)c1cc(S(=O)(=O)Nc2cc(F)c([O-])c(F)c2)ccc1O	ZINC001197240883	972169649	/nfs/dbraw/zinc/16/96/49/972169649.db2.gz	MBDJXMVNDKPLOF-UHFFFAOYSA-N	-1	1	359.306	1.963	20	10		FDCDMM
O=C(CNS(=O)(=O)Cc1c(F)cccc1F)c1ccc([O-])c(O)c1	ZINC001197623387	972317027	/nfs/dbraw/zinc/31/70/27/972317027.db2.gz	ZYBRYCCXRMBPGO-UHFFFAOYSA-N	-1	1	357.334	1.678	20	10		FDCDMM
O=C(CNC(=O)[C@@H]1CN(Cc2ccccc2)CC1=O)c1ccc([O-])c(O)c1	ZINC001181571011	960954885	/nfs/dbraw/zinc/95/48/85/960954885.db2.gz	FBDKTSQTQLIVNU-OAHLLOKOSA-N	-1	1	368.389	1.098	20	10		FDCDMM
CCOC(=O)c1nnc(C[NH2+]Cc2ccc(Br)cc2[O-])[n-]1	ZINC001183607028	963138484	/nfs/dbraw/zinc/13/84/84/963138484.db2.gz	RFUQKFMFHRXRBH-UHFFFAOYSA-N	-1	1	355.192	1.739	20	10		FDCDMM
Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)N[C@@H]3C[C@@H](O)C3(C)C)cc12	ZINC001184359819	963542123	/nfs/dbraw/zinc/54/21/23/963542123.db2.gz	LURKEFKTLTZXMN-IAGOWNOFSA-N	-1	1	374.437	1.514	20	10		FDCDMM
O=C(CNC(=O)[C@@H]1CCCN(c2ccncn2)C1)c1ccc([O-])c(O)c1	ZINC001178137360	964111488	/nfs/dbraw/zinc/11/14/88/964111488.db2.gz	VMAMFGIQVQGGBV-CYBMUJFWSA-N	-1	1	356.382	1.103	20	10		FDCDMM
C[C@@H](C(=O)NCC(=O)c1ccc([O-])c(O)c1)N(C)C(=O)OC(C)(C)C	ZINC001179600377	964924163	/nfs/dbraw/zinc/92/41/63/964924163.db2.gz	OTIVTFKZIVLKEE-JTQLQIEISA-N	-1	1	352.387	1.652	20	10		FDCDMM
O=S(=O)(Nc1ccc([O-])c(F)c1F)c1ccc(N2CCOCC2)nc1	ZINC001188518218	966352110	/nfs/dbraw/zinc/35/21/10/966352110.db2.gz	FKBFNLXQSOUSKM-UHFFFAOYSA-N	-1	1	371.365	1.703	20	10		FDCDMM
CS(=O)(=O)Nc1ccc([O-])c(-c2nc(Cc3cncs3)no2)c1	ZINC000796135762	1013735460	/nfs/dbraw/zinc/73/54/60/1013735460.db2.gz	LZMUHGBCQJLADI-UHFFFAOYSA-N	-1	1	352.397	1.861	20	10		FDCDMM
O=C(NCCc1cc(O)c(O)cc1O)c1cnc(-c2ccccc2)[n-]c1=O	ZINC001190267095	967703906	/nfs/dbraw/zinc/70/39/06/967703906.db2.gz	DXQIHSKCEYYLSU-UHFFFAOYSA-N	-1	1	367.361	1.939	20	10		FDCDMM
O=C(Nc1cncc(N2CCOCC2)n1)c1ccc(O)c([O-])c1Cl	ZINC001193209506	969537479	/nfs/dbraw/zinc/53/74/79/969537479.db2.gz	LRSBDOVDLMOWGC-UHFFFAOYSA-N	-1	1	350.762	1.630	20	10		FDCDMM
CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(O)c([O-])c2Cl)C1	ZINC001193236863	969565329	/nfs/dbraw/zinc/56/53/29/969565329.db2.gz	SACUVNXHKQPRNJ-MWLCHTKSSA-N	-1	1	372.805	1.461	20	10		FDCDMM
O=C(CNC(=O)c1ccc(=O)n(CC(F)(F)F)c1)c1ccc([O-])c(O)c1	ZINC001199502193	974308667	/nfs/dbraw/zinc/30/86/67/974308667.db2.gz	YHLMEHLLQMCEIO-UHFFFAOYSA-N	-1	1	370.283	1.435	20	10		FDCDMM
O=C(CNC(=O)c1cnn(Cc2ccccn2)c1)c1ccc([O-])c(O)c1	ZINC001199576020	974380961	/nfs/dbraw/zinc/38/09/61/974380961.db2.gz	KDHFDPDLKWIQET-UHFFFAOYSA-N	-1	1	352.350	1.350	20	10		FDCDMM
COC(=O)c1cc(S(=O)(=O)Nc2ccc(O)cc2C(=O)[O-])cn1C	ZINC000776432801	977443248	/nfs/dbraw/zinc/44/32/48/977443248.db2.gz	FLKHACCUPNFBKG-UHFFFAOYSA-N	-1	1	354.340	1.016	20	10		FDCDMM
COc1ccc(N2CCN(C(=O)CSc3ncc(C)c(=O)[n-]3)CC2)cc1	ZINC000849901109	978044040	/nfs/dbraw/zinc/04/40/40/978044040.db2.gz	LZMBFXLRACHJMZ-UHFFFAOYSA-N	-1	1	374.466	1.940	20	10		FDCDMM
C[C@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1ccc(N(C)C)cc1	ZINC000859114394	982542172	/nfs/dbraw/zinc/54/21/72/982542172.db2.gz	DZPCMYYKPKRBGW-JTQLQIEISA-N	-1	1	353.404	1.434	20	10		FDCDMM
CN1CCN(c2ccc(CNC(=O)c3cc(C(=O)[O-])ccn3)cc2)CC1	ZINC001598624050	994057893	/nfs/dbraw/zinc/05/78/93/994057893.db2.gz	FVEQVDUOFCCKNY-UHFFFAOYSA-N	-1	1	354.410	1.462	20	10		FDCDMM
CSc1nc(=O)[n-]c(C)c1C(=O)NCc1ccc(N2CCOCC2)cc1	ZINC000266965442	999278553	/nfs/dbraw/zinc/27/85/53/999278553.db2.gz	JLBYIYHWCSGIGT-UHFFFAOYSA-N	-1	1	374.466	1.979	20	10		FDCDMM
COC(=O)c1ccc(C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)[n-]1	ZINC000796347781	1009239833	/nfs/dbraw/zinc/23/98/33/1009239833.db2.gz	ZJSIGWOMXCHNSG-UHFFFAOYSA-N	-1	1	373.409	1.683	20	10		FDCDMM
C[NH+](C)CCNC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000271213421	674323360	/nfs/dbraw/zinc/32/33/60/674323360.db2.gz	MJQVQEJBMXYUOA-UHFFFAOYSA-N	-1	1	369.468	1.546	20	10		FDCDMM
C[N-]S(=O)(=O)c1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)o1	ZINC000028335512	519235081	/nfs/dbraw/zinc/23/50/81/519235081.db2.gz	FVXYZOYMXMNYHY-UHFFFAOYSA-N	-1	1	363.439	1.718	20	10		FDCDMM
CC(=O)Nc1ccc(NC=C2C(=O)[N-]C(=S)N(CC(C)C)C2=O)cc1	ZINC000060860404	522420661	/nfs/dbraw/zinc/42/06/61/522420661.db2.gz	ZJWVCVRWCPJFQM-ZSOIEALJSA-N	-1	1	360.439	1.840	20	10		FDCDMM
COc1cc(N2CCN(C(=O)c3ncccc3[O-])CC2)cc(OC)c1OC	ZINC000273584882	537472353	/nfs/dbraw/zinc/47/23/53/537472353.db2.gz	GKEVRTXCPXBXBC-UHFFFAOYSA-N	-1	1	373.409	1.775	20	10		FDCDMM
CCc1nc(CN2CCN(C(=O)c3c(F)ccc(O)c3[O-])CC2)no1	ZINC000276509832	537562924	/nfs/dbraw/zinc/56/29/24/537562924.db2.gz	AYIWADFTDSRNEE-UHFFFAOYSA-N	-1	1	350.350	1.140	20	10		FDCDMM
O=S(=O)([C@H]1CCCN(Cc2cccc(Cl)c2[O-])C1)N1CCOCC1	ZINC000368019839	537973091	/nfs/dbraw/zinc/97/30/91/537973091.db2.gz	KTLYCBGLAWAOTH-AWEZNQCLSA-N	-1	1	374.890	1.672	20	10		FDCDMM
CC(=O)NCC[N@@H+](Cc1cc(C)cc(Br)c1[O-])[C@@H](C)C(=O)[O-]	ZINC000819770468	597711930	/nfs/dbraw/zinc/71/19/30/597711930.db2.gz	UPACXSQGXJBTTJ-JTQLQIEISA-N	-1	1	373.247	1.874	20	10		FDCDMM
COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(O)cc1C	ZINC000737687709	600679307	/nfs/dbraw/zinc/67/93/07/600679307.db2.gz	HOWSIPYDDBVYFF-UHFFFAOYSA-N	-1	1	365.363	1.986	20	10		FDCDMM
CCc1nc([C@H]2CN(c3ccc(C=CC(=O)[O-])cc3[N+](=O)[O-])CCO2)n[nH]1	ZINC000830304627	604273835	/nfs/dbraw/zinc/27/38/35/604273835.db2.gz	SSHTVGCNJKVKLH-YVARQFDVSA-N	-1	1	373.369	1.951	20	10		FDCDMM
COc1c([O-])c(CN2CCN(C3=NC[C@H](C)S3)CC2)ccc1[N+](=O)[O-]	ZINC000278258988	675113303	/nfs/dbraw/zinc/11/33/03/675113303.db2.gz	QCYDGFQKJNNCCK-NSHDSACASA-N	-1	1	366.443	1.918	20	10		FDCDMM
Cc1ccc(C)n1-c1ccsc1C(=O)N1CCO[C@@H](c2nn[n-]n2)C1	ZINC000370853399	677620716	/nfs/dbraw/zinc/62/07/16/677620716.db2.gz	SMUSXOOWYMFUBT-CYBMUJFWSA-N	-1	1	358.427	1.882	20	10		FDCDMM
O=C(CN1C(=O)NC2(CCCCC2)C1=O)NCc1cccc(Cl)c1[O-]	ZINC000890757284	771585826	/nfs/dbraw/zinc/58/58/26/771585826.db2.gz	BCXKYAKRPKQHFA-UHFFFAOYSA-N	-1	1	365.817	1.917	20	10		FDCDMM
O=C(NCc1cccc(CN2CCOCC2)c1)c1c(F)ccc(O)c1[O-]	ZINC000276598824	778334568	/nfs/dbraw/zinc/33/45/68/778334568.db2.gz	OAMOSTWNVHRUND-UHFFFAOYSA-N	-1	1	360.385	1.999	20	10		FDCDMM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2cccnc2-n2cccn2)c1	ZINC000378345760	793986290	/nfs/dbraw/zinc/98/62/90/793986290.db2.gz	NBCUOCIKHGIJRZ-UHFFFAOYSA-N	-1	1	373.394	1.597	20	10		FDCDMM
O=C(NCc1cccc(Cl)c1[O-])N[C@H]1CCN(C2CCOCC2)C1=O	ZINC000893399860	800522196	/nfs/dbraw/zinc/52/21/96/800522196.db2.gz	BAECVFGEOIEHNB-AWEZNQCLSA-N	-1	1	367.833	1.625	20	10		FDCDMM
C[C@]12CCC(=O)N1[C@@H](C(=O)OCC(=O)c1ccc([O-])c(O)c1)CS2	ZINC000916599444	881804459	/nfs/dbraw/zinc/80/44/59/881804459.db2.gz	PYIBVFZSIGKORU-HWPZZCPQSA-N	-1	1	351.380	1.278	20	10		FDCDMM
Cn1ncc(S(=O)(=O)[N-]Cc2c(O)cccc2F)c1C(F)(F)F	ZINC000921451246	888016236	/nfs/dbraw/zinc/01/62/36/888016236.db2.gz	MQDBFDDTXQGWJJ-UHFFFAOYSA-N	-1	1	353.297	1.762	20	10		FDCDMM
O=C(NCc1cccc(Br)c1[O-])C(=O)Nc1cccnc1	ZINC000765930065	898202072	/nfs/dbraw/zinc/20/20/72/898202072.db2.gz	HAELWYZBJYUCHD-UHFFFAOYSA-N	-1	1	350.172	1.805	20	10		FDCDMM
NC(=O)c1ccc(NC(=O)NCc2cccc(Br)c2[O-])cn1	ZINC000765315627	906771699	/nfs/dbraw/zinc/77/16/99/906771699.db2.gz	NJHIYTBRXKXPJL-UHFFFAOYSA-N	-1	1	365.187	1.970	20	10		FDCDMM
Cc1nnc2n1C[C@H](C(=O)NCc1cccc(Br)c1[O-])CC2	ZINC000765737279	908473970	/nfs/dbraw/zinc/47/39/70/908473970.db2.gz	TZSQUVXAJYHGMF-LLVKDONJSA-N	-1	1	365.231	1.933	20	10		FDCDMM
O=C(C[C@H]1C=CS(=O)(=O)C1)NCc1cccc(Br)c1[O-]	ZINC000765752079	908750167	/nfs/dbraw/zinc/75/01/67/908750167.db2.gz	VVHALYXAYBVTMJ-SECBINFHSA-N	-1	1	360.229	1.719	20	10		FDCDMM
CCN(CC)c1ccc(CNC(=O)c2[nH]c(=O)[n-]c(=O)c2OC)cc1F	ZINC000789977737	933280099	/nfs/dbraw/zinc/28/00/99/933280099.db2.gz	ZOECZPXHDWRMCF-UHFFFAOYSA-N	-1	1	364.377	1.812	20	10		FDCDMM
CN1C(=S)N=NC1[C@@H]1CCCN(C(=O)c2c([O-])c(O)ccc2F)C1	ZINC000789976465	933280398	/nfs/dbraw/zinc/28/03/98/933280398.db2.gz	QMZDGUWSMJQCPY-MRVPVSSYSA-N	-1	1	352.391	1.674	20	10		FDCDMM
COc1ccc(N2CCC([N-]S(=O)(=O)c3c(C)onc3N)CC2)cc1	ZINC000809814237	940900867	/nfs/dbraw/zinc/90/08/67/940900867.db2.gz	FADBAFPYPABNMD-UHFFFAOYSA-N	-1	1	366.443	1.521	20	10		FDCDMM
CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1C(=O)OCC(=O)c1ccc([O-])c(O)c1	ZINC000821274227	944383845	/nfs/dbraw/zinc/38/38/45/944383845.db2.gz	RTNLUWQFVIMNSH-WDEREUQCSA-N	-1	1	351.355	1.737	20	10		FDCDMM
O=C(NCCN1CCN(c2ccccc2)CC1)c1c(F)ccc(O)c1[O-]	ZINC000825437459	947244973	/nfs/dbraw/zinc/24/49/73/947244973.db2.gz	GJQFWPSBVKGZHI-UHFFFAOYSA-N	-1	1	359.401	1.789	20	10		FDCDMM
COc1ccc(N2CCN(CCCNC(=O)C(C)(C)C(=O)[O-])CC2)cc1	ZINC000844252643	947895286	/nfs/dbraw/zinc/89/52/86/947895286.db2.gz	OPPJMOZLDXQEFP-UHFFFAOYSA-N	-1	1	363.458	1.434	20	10		FDCDMM
CC(C)(C)OC(=O)N[C@H](CC(=O)NCc1nn[n-]n1)c1ccccc1O	ZINC001184075825	963415143	/nfs/dbraw/zinc/41/51/43/963415143.db2.gz	WOGMQNCXWRHCIS-LLVKDONJSA-N	-1	1	362.390	1.178	20	10		FDCDMM
COC[C@@H](NC(=O)CN(C)Cc1cc2c(C)cc(=O)oc2cc1[O-])C1CC1	ZINC001184360354	963541860	/nfs/dbraw/zinc/54/18/60/963541860.db2.gz	NUMLOGURQVBJJR-MRXNPFEDSA-N	-1	1	374.437	1.780	20	10		FDCDMM
Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)NC[C@@H]3CC(C)(C)O3)cc12	ZINC001184362159	963543814	/nfs/dbraw/zinc/54/38/14/963543814.db2.gz	NGOAMXHALHBZNC-AWEZNQCLSA-N	-1	1	374.437	1.923	20	10		FDCDMM
CCN1CCN(c2ccc(CNC(=O)[C@H](C(=O)[O-])C3CC3)cc2F)CC1	ZINC000852944193	967723379	/nfs/dbraw/zinc/72/33/79/967723379.db2.gz	JFBNWLBWFNVRGT-QGZVFWFLSA-N	-1	1	363.433	1.695	20	10		FDCDMM
O=C(Nc1cnn(CCN2CCOCC2)c1)c1ccc(O)c([O-])c1Cl	ZINC001193219460	969547253	/nfs/dbraw/zinc/54/72/53/969547253.db2.gz	IEPZTWZRPSHEHQ-UHFFFAOYSA-N	-1	1	366.805	1.532	20	10		FDCDMM
CS(=O)(=O)NC[C@H]1CCCN(Cc2cc(Cl)cc(F)c2[O-])C1	ZINC000775634319	970658441	/nfs/dbraw/zinc/65/84/41/970658441.db2.gz	REHGWXACQBBFKA-SNVBAGLBSA-N	-1	1	350.843	1.946	20	10		FDCDMM
COC(=O)CC[N@@H+](CC(=O)[O-])Cc1cc(Br)cc(F)c1[O-]	ZINC001604311913	972974686	/nfs/dbraw/zinc/97/46/86/972974686.db2.gz	ZALSGQRYRLDQCB-UHFFFAOYSA-N	-1	1	364.167	1.744	20	10		FDCDMM
O=S(=O)([N-]Cc1ccc(N2CCOCC2)cc1)c1ccc(F)nc1F	ZINC000866583584	975811184	/nfs/dbraw/zinc/81/11/84/975811184.db2.gz	UALVNHIQDFWTIH-UHFFFAOYSA-N	-1	1	369.393	1.675	20	10		FDCDMM
O=C(NCc1cccc(C(=O)N2CCOCC2)c1)c1c(F)ccc(O)c1[O-]	ZINC000294776968	988536328	/nfs/dbraw/zinc/53/63/28/988536328.db2.gz	GKXAYCJOMJNSAC-UHFFFAOYSA-N	-1	1	374.368	1.639	20	10		FDCDMM
CN1CCN(c2ccc(CNC(=O)CCSCC(=O)[O-])cc2)CC1	ZINC001598622315	994022090	/nfs/dbraw/zinc/02/20/90/994022090.db2.gz	BTPRSERTSNQQJQ-UHFFFAOYSA-N	-1	1	351.472	1.263	20	10		FDCDMM
CC(=O)c1cc(Cl)cc(CN2CCC[C@@H]3OCCNC(=O)[C@@H]32)c1[O-]	ZINC000879719944	995219027	/nfs/dbraw/zinc/21/90/27/995219027.db2.gz	QFGSTGZBNIQZLO-LSDHHAIUSA-N	-1	1	352.818	1.728	20	10		FDCDMM
CN1CCN(c2ccc(CNC(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-])cc2)CC1	ZINC000887313936	997153259	/nfs/dbraw/zinc/15/32/59/997153259.db2.gz	OJIPNZCJASEQCZ-MSOLQXFVSA-N	-1	1	357.454	1.722	20	10		FDCDMM
COC(=O)c1cc(O)ccc1NS(=O)(=O)c1cc(F)ccc1C(=O)[O-]	ZINC001598950316	998139101	/nfs/dbraw/zinc/13/91/01/998139101.db2.gz	SMWOFBSWJKZCGO-UHFFFAOYSA-N	-1	1	369.326	1.817	20	10		FDCDMM
COC(=O)c1cc(O)ccc1NS(=O)(=O)c1ccc(C(=O)[O-])c(C)c1	ZINC000795349215	1006273760	/nfs/dbraw/zinc/27/37/60/1006273760.db2.gz	WOFLBBZHYBNBBJ-UHFFFAOYSA-N	-1	1	365.363	1.986	20	10		FDCDMM
COC(=O)c1cc(O)ccc1NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1	ZINC000779459649	1009584412	/nfs/dbraw/zinc/58/44/12/1009584412.db2.gz	FROIEAHZZQVYGR-UHFFFAOYSA-N	-1	1	369.326	1.817	20	10		FDCDMM
CCNS(=O)(=O)[C@H]1CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C1	ZINC000092842968	524924642	/nfs/dbraw/zinc/92/46/42/524924642.db2.gz	SERFQYNRSWUMQT-ZDUSSCGKSA-N	-1	1	360.863	1.762	20	10		FDCDMM
COc1c(O)c(CN2CC[N@@H+](CC(C)(C)O)C[C@H]2C)ccc1[N+](=O)[O-]	ZINC000278412122	537317761	/nfs/dbraw/zinc/31/77/61/537317761.db2.gz	QDACIJCXCVPGDY-GFCCVEGCSA-N	-1	1	353.419	1.586	20	10		FDCDMM
CN(C)c1ccc(CNC(=O)CN2CCC(c3n[nH]c(=O)[n-]3)CC2)cc1	ZINC000367987535	537971858	/nfs/dbraw/zinc/97/18/58/537971858.db2.gz	FQUKRATXLDPQPF-UHFFFAOYSA-N	-1	1	358.446	1.072	20	10		FDCDMM
COc1ccc(N2CCCN(c3nccnc3-c3nnn[n-]3)CC2)cc1	ZINC000737100312	598346922	/nfs/dbraw/zinc/34/69/22/598346922.db2.gz	WNBXVJFTPHQAER-UHFFFAOYSA-N	-1	1	352.402	1.382	20	10		FDCDMM
COc1ccc(N2CCCN(c3nccnc3-c3nn[n-]n3)CC2)cc1	ZINC000737100312	598346924	/nfs/dbraw/zinc/34/69/24/598346924.db2.gz	WNBXVJFTPHQAER-UHFFFAOYSA-N	-1	1	352.402	1.382	20	10		FDCDMM
CCC[C@](C)(NCC(=O)N1CCN(c2ccc(OC)cc2)CC1)C(=O)[O-]	ZINC000736962025	600153795	/nfs/dbraw/zinc/15/37/95/600153795.db2.gz	WXLGKYQOXWNIBA-IBGZPJMESA-N	-1	1	363.458	1.577	20	10		FDCDMM
CCC[C@@](C)(NCC(=O)N1CCN(c2ccc(OC)cc2)CC1)C(=O)[O-]	ZINC000736962028	600154073	/nfs/dbraw/zinc/15/40/73/600154073.db2.gz	WXLGKYQOXWNIBA-LJQANCHMSA-N	-1	1	363.458	1.577	20	10		FDCDMM
Cc1nc([C@@H]2CN(c3ccc(C=CC(=O)[O-])cc3[N+](=O)[O-])CCO2)n[nH]1	ZINC000832990808	601213943	/nfs/dbraw/zinc/21/39/43/601213943.db2.gz	IBEZLHVREYRGOA-MFBWXBCUSA-N	-1	1	359.342	1.697	20	10		FDCDMM
CN(C)c1ccc([C@@H](CNC(=O)c2ccc3[nH]nnc3c2)NC(=O)[O-])cc1	ZINC000828064605	603034993	/nfs/dbraw/zinc/03/49/93/603034993.db2.gz	ULPYPTMQCDCKQR-MRXNPFEDSA-N	-1	1	368.397	1.763	20	10		FDCDMM
CN(C)c1ccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1F	ZINC000821589590	606705019	/nfs/dbraw/zinc/70/50/19/606705019.db2.gz	VFHLIXJKPHAIES-UHFFFAOYSA-N	-1	1	358.337	1.987	20	10		FDCDMM
CN(C)c1ccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1F	ZINC000821589590	606705020	/nfs/dbraw/zinc/70/50/20/606705020.db2.gz	VFHLIXJKPHAIES-UHFFFAOYSA-N	-1	1	358.337	1.987	20	10		FDCDMM
C[C@H](CS(C)(=O)=O)C(=O)NCc1cccc(Br)c1[O-]	ZINC000277561329	674967986	/nfs/dbraw/zinc/96/79/86/674967986.db2.gz	PLRLJEHLRFGKQV-MRVPVSSYSA-N	-1	1	350.234	1.452	20	10		FDCDMM
CN(C)c1noc(CCC(=O)NCc2cccc(Br)c2[O-])n1	ZINC000277624814	674982632	/nfs/dbraw/zinc/98/26/32/674982632.db2.gz	WNOLOYOPHLMGTQ-UHFFFAOYSA-N	-1	1	369.219	1.853	20	10		FDCDMM
O=C1[N-]C(=S)NC(=O)C1=CNc1ccc(Br)cc1Cl	ZINC000048402792	671069353	/nfs/dbraw/zinc/06/93/53/671069353.db2.gz	AJWPIWGORFTOLY-UHFFFAOYSA-N	-1	1	360.620	1.929	20	10		FDCDMM
COC(=O)C[C@H]1C(=O)NCCN1Cc1cc(Cl)cc(C(C)=O)c1[O-]	ZINC000267394357	673299163	/nfs/dbraw/zinc/29/91/63/673299163.db2.gz	OATKQBCIUZODEY-ZDUSSCGKSA-N	-1	1	354.790	1.112	20	10		FDCDMM
Cn1cc(N2C[C@@H](C(=O)NCc3cccc(Cl)c3[O-])CCC2=O)cn1	ZINC000890762357	771634363	/nfs/dbraw/zinc/63/43/63/771634363.db2.gz	AALYZSIPDFHEIK-LBPRGKRZSA-N	-1	1	362.817	1.839	20	10		FDCDMM
CCOC(=O)[C@H]1CCCN(CC(=O)NCc2cccc(Cl)c2[O-])C1	ZINC000890762779	771648172	/nfs/dbraw/zinc/64/81/72/771648172.db2.gz	IMDVCHVXSHCEJW-ZDUSSCGKSA-N	-1	1	354.834	1.937	20	10		FDCDMM
C[C@@H]1CN(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)CC[C@@H]1C(=O)[O-]	ZINC000898859770	845342488	/nfs/dbraw/zinc/34/24/88/845342488.db2.gz	JCAMJUYRKGJVTR-QAPCUYQASA-N	-1	1	374.485	1.691	20	10		FDCDMM
COC(=O)c1ccc(NC=C2C(=O)[N-]C(=S)N(CC(C)C)C2=O)cc1	ZINC000920974744	887359321	/nfs/dbraw/zinc/35/93/21/887359321.db2.gz	RDGQSORSNJXMES-JYRVWZFOSA-N	-1	1	361.423	1.668	20	10		FDCDMM
COCCN1C(=O)C(=CNC2C3CC4CC(C3)CC2C4)C(=O)[N-]C1=S	ZINC000920979541	887364354	/nfs/dbraw/zinc/36/43/54/887364354.db2.gz	QFRZWLSRKPKCFD-ZROIWOOFSA-N	-1	1	363.483	1.174	20	10		FDCDMM
O=C(Cn1cc([N+](=O)[O-])cn1)NCc1cccc(Br)c1[O-]	ZINC000765736507	908455802	/nfs/dbraw/zinc/45/58/02/908455802.db2.gz	MQHJIDDAZGOGRN-UHFFFAOYSA-N	-1	1	355.148	1.576	20	10		FDCDMM
Cc1onc(N)c1S(=O)(=O)[N-]Cc1ccc(N2CCSCC2)cc1	ZINC000809809286	940899424	/nfs/dbraw/zinc/89/94/24/940899424.db2.gz	VSWHRCAXMJUPKP-UHFFFAOYSA-N	-1	1	368.484	1.597	20	10		FDCDMM
CS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000817996053	943100107	/nfs/dbraw/zinc/10/01/07/943100107.db2.gz	RZRSTJGAAQZABC-UHFFFAOYSA-N	-1	1	371.396	1.767	20	10		FDCDMM
O=C([O-])[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)C1=CC(=O)CS1	ZINC001594891946	954539927	/nfs/dbraw/zinc/53/99/27/954539927.db2.gz	ZPQNQMJCGBOROI-APPZFPTMSA-N	-1	1	366.317	1.190	20	10		FDCDMM
O=C(CNC(=O)c1ccccc1Cl)NCC(=O)c1ccc([O-])c(O)c1	ZINC001183064271	962792669	/nfs/dbraw/zinc/79/26/69/962792669.db2.gz	MYFGCICSAMEHLX-UHFFFAOYSA-N	-1	1	362.769	1.480	20	10		FDCDMM
O=C(Cc1c[nH]c2ccccc12)C(=O)NCC(=O)c1ccc([O-])c(O)c1	ZINC001183100061	962809411	/nfs/dbraw/zinc/80/94/11/962809411.db2.gz	VBVKMKJAQFZMQV-UHFFFAOYSA-N	-1	1	352.346	1.690	20	10		FDCDMM
Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)N3CC[C@@](C)(O)C3)cc12	ZINC001184356940	963540253	/nfs/dbraw/zinc/54/02/53/963540253.db2.gz	QDVITHXCFVGDPP-LJQANCHMSA-N	-1	1	360.410	1.222	20	10		FDCDMM
Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)N3CC(OC(C)C)C3)cc12	ZINC001184362225	963543183	/nfs/dbraw/zinc/54/31/83/963543183.db2.gz	XVIXQGSAOUTLSN-UHFFFAOYSA-N	-1	1	374.437	1.875	20	10		FDCDMM
COc1c([O-])c(CN2CCN(CC(C)C)C(=O)[C@H]2C)ccc1[N+](=O)[O-]	ZINC000775091337	965030568	/nfs/dbraw/zinc/03/05/68/965030568.db2.gz	XKGJFQYNRZQGFN-GFCCVEGCSA-N	-1	1	351.403	1.998	20	10		FDCDMM
COc1ccc2c(c1)C[C@H](C(=O)NCC(=O)c1ccc([O-])c(O)c1)CO2	ZINC001180365257	965284321	/nfs/dbraw/zinc/28/43/21/965284321.db2.gz	WKZBIAVSXZXPDX-ZDUSSCGKSA-N	-1	1	357.362	1.657	20	10		FDCDMM
COc1cccc(OC)c1NC(=O)C(=O)NCC(=O)c1ccc([O-])c(O)c1	ZINC001187492259	965432363	/nfs/dbraw/zinc/43/23/63/965432363.db2.gz	KERSXDDWVURWAM-UHFFFAOYSA-N	-1	1	374.349	1.053	20	10		FDCDMM
O=C(CNC(=O)c1nc(Cc2ccccc2)no1)c1ccc([O-])c(O)c1	ZINC001192277139	969037057	/nfs/dbraw/zinc/03/70/57/969037057.db2.gz	NJVURTCPMBEYLT-UHFFFAOYSA-N	-1	1	353.334	1.684	20	10		FDCDMM
O=C(COC1CCN(C(=O)c2ccc(O)c([O-])c2Cl)CC1)NC1CC1	ZINC001193232956	969563660	/nfs/dbraw/zinc/56/36/60/969563660.db2.gz	RWXJWXHNQILNRT-UHFFFAOYSA-N	-1	1	368.817	1.651	20	10		FDCDMM
CC(C)(C)OC(=O)N[C@H]1COC[C@H]1NC(=O)c1ccc(O)c([O-])c1Cl	ZINC001193237190	969565277	/nfs/dbraw/zinc/56/52/77/969565277.db2.gz	ZUZMZNQBZMJYNS-ZJUUUORDSA-N	-1	1	372.805	1.773	20	10		FDCDMM
O=C(NCc1cc(OC2COC2)ccn1)c1ccc(O)c([O-])c1Cl	ZINC001193236637	969565384	/nfs/dbraw/zinc/56/53/84/969565384.db2.gz	KPFIIDCPGOWSMU-UHFFFAOYSA-N	-1	1	350.758	1.854	20	10		FDCDMM
CC[S@](C)(=O)=NS(=O)(=O)[N-]Cc1cc(Br)ccc1O	ZINC000867266490	973110454	/nfs/dbraw/zinc/11/04/54/973110454.db2.gz	RMXSITWZAPMHRS-SFHVURJKSA-N	-1	1	371.278	1.607	20	10		FDCDMM
[O-]c1c(F)cc(Br)cc1CNCc1nnc2n1CCOC2	ZINC000883102459	981946583	/nfs/dbraw/zinc/94/65/83/981946583.db2.gz	PYYFEVCWRZNCNJ-UHFFFAOYSA-N	-1	1	357.183	1.705	20	10		FDCDMM
O=C(c1c([O-])c(O)ccc1F)N1CCN(CC(F)(F)C(F)F)CC1	ZINC000825836142	992249989	/nfs/dbraw/zinc/24/99/89/992249989.db2.gz	UYEUKVDDYQRHDX-UHFFFAOYSA-N	-1	1	354.275	1.895	20	10		FDCDMM
CNC(=O)NC[C@@H]1CN(Cc2c(O)c(C(=O)[O-])cc3ccccc32)CCO1	ZINC001598653881	994489653	/nfs/dbraw/zinc/48/96/53/994489653.db2.gz	VCRIDRNIMNWAJK-CYBMUJFWSA-N	-1	1	373.409	1.373	20	10		FDCDMM
C[C@H](NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(Br)cc1[O-])C(=O)[O-]	ZINC001593353360	994978445	/nfs/dbraw/zinc/97/84/45/994978445.db2.gz	UKHDRLZQGRSVOC-CIUDSAMLSA-N	-1	1	359.220	1.783	20	10		FDCDMM
COC(=O)[C@@H]1[C@H](C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])C1(F)F	ZINC001598739405	995555958	/nfs/dbraw/zinc/55/59/58/995555958.db2.gz	BMMHTCVYPMIJEQ-GWCFXTLKSA-N	-1	1	363.744	1.987	20	10		FDCDMM
COC(=O)[C@@H]1[C@H](C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])C1(F)F	ZINC001598739405	995555965	/nfs/dbraw/zinc/55/59/65/995555965.db2.gz	BMMHTCVYPMIJEQ-GWCFXTLKSA-N	-1	1	363.744	1.987	20	10		FDCDMM
CC(=O)c1cc(Cl)cc(CN2CCN(c3cnn(C)c3)C(=O)C2)c1[O-]	ZINC000177421257	525288920	/nfs/dbraw/zinc/28/89/20/525288920.db2.gz	FGGJYQQIMPMBOH-UHFFFAOYSA-N	-1	1	362.817	1.831	20	10		FDCDMM
COc1cccc(CNC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)c1O	ZINC000105649771	525524287	/nfs/dbraw/zinc/52/42/87/525524287.db2.gz	OSPSHNQYQWEDTB-UHFFFAOYSA-N	-1	1	356.382	1.213	20	10		FDCDMM
CN(C)c1ccc(CN(C)S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1	ZINC000736772348	598260627	/nfs/dbraw/zinc/26/06/27/598260627.db2.gz	DRVKUOYSFWLULV-UHFFFAOYSA-N	-1	1	373.442	1.148	20	10		FDCDMM
CN(C)c1ccc(CN(C)S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1	ZINC000736772348	598260629	/nfs/dbraw/zinc/26/06/29/598260629.db2.gz	DRVKUOYSFWLULV-UHFFFAOYSA-N	-1	1	373.442	1.148	20	10		FDCDMM
O=C1C(=Cc2ccc(-c3nnn[n-]3)o2)SC(=S)N1Cc1ccon1	ZINC000823504011	606975594	/nfs/dbraw/zinc/97/55/94/606975594.db2.gz	LCSPCNGIWNNZQZ-YHYXMXQVSA-N	-1	1	360.380	1.849	20	10		FDCDMM
O=C1C(=Cc2ccc(-c3nn[n-]n3)o2)SC(=S)N1Cc1ccon1	ZINC000823504011	606975595	/nfs/dbraw/zinc/97/55/95/606975595.db2.gz	LCSPCNGIWNNZQZ-YHYXMXQVSA-N	-1	1	360.380	1.849	20	10		FDCDMM
C[C@@H](NC(=O)NCc1cccc(Br)c1[O-])c1nncn1C	ZINC000277485495	674952489	/nfs/dbraw/zinc/95/24/89/674952489.db2.gz	QBQCDNIAGOPZAD-MRVPVSSYSA-N	-1	1	354.208	1.844	20	10		FDCDMM
C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)NCc1cccc(Br)c1[O-]	ZINC000277562871	674968304	/nfs/dbraw/zinc/96/83/04/674968304.db2.gz	POVWCYGNNOPGOY-UFBFGSQYSA-N	-1	1	371.231	1.047	20	10		FDCDMM
COc1c([O-])c(CN2CCN(c3nc(C)ns3)CC2)ccc1[N+](=O)[O-]	ZINC000278225493	675107574	/nfs/dbraw/zinc/10/75/74/675107574.db2.gz	MBHDYLJQHAXRMR-UHFFFAOYSA-N	-1	1	365.415	1.791	20	10		FDCDMM
COc1ccc(S(=O)(=O)Nc2ccc(O)cc2C(=O)[O-])c(OC)c1	ZINC000013464056	670622305	/nfs/dbraw/zinc/62/23/05/670622305.db2.gz	MVBDVYRLTGCSTP-UHFFFAOYSA-N	-1	1	353.352	1.908	20	10		FDCDMM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2nnc(C(F)F)s2)c1	ZINC000115875412	671654695	/nfs/dbraw/zinc/65/46/95/671654695.db2.gz	NCDMEOMJNWVIAA-UHFFFAOYSA-N	-1	1	364.355	1.805	20	10		FDCDMM
CCS(=O)(=O)N1CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])CC1	ZINC000177271694	672123578	/nfs/dbraw/zinc/12/35/78/672123578.db2.gz	QHMGUGPFXHAECY-UHFFFAOYSA-N	-1	1	360.863	1.716	20	10		FDCDMM
CC(=O)c1cc(Cl)cc(CN2CCC[C@@]3(C2)NC(=O)NC3=O)c1[O-]	ZINC000279012703	675231805	/nfs/dbraw/zinc/23/18/05/675231805.db2.gz	FRRQIPPMRXUQEL-INIZCTEOSA-N	-1	1	351.790	1.422	20	10		FDCDMM
O=C(NCc1cccc(Br)c1[O-])[C@@H]1OC[C@@H]2COCC[C@@H]12	ZINC000290553918	676213416	/nfs/dbraw/zinc/21/34/16/676213416.db2.gz	XBDXUIJWGRDGCR-MISXGVKJSA-N	-1	1	356.216	1.822	20	10		FDCDMM
COC(=O)[C@H]1C[C@@H](OC)CCN1Cc1ccc([N+](=O)[O-])c(OC)c1[O-]	ZINC000370517657	677587143	/nfs/dbraw/zinc/58/71/43/677587143.db2.gz	HIQCJNBNOIFLRN-WCQYABFASA-N	-1	1	354.359	1.461	20	10		FDCDMM
C[C@@H](C(=O)NCc1cccc(Cl)c1[O-])S(=O)(=O)C1CCOCC1	ZINC000890759620	771604259	/nfs/dbraw/zinc/60/42/59/771604259.db2.gz	FIDBLYOBTXLWHN-JTQLQIEISA-N	-1	1	361.847	1.644	20	10		FDCDMM
CS(=O)(=O)N1CC[C@H](CNC(=O)NCc2cccc(Cl)c2[O-])C1	ZINC000893817655	809746679	/nfs/dbraw/zinc/74/66/79/809746679.db2.gz	SMLMNAAOWCSQOF-SNVBAGLBSA-N	-1	1	361.851	1.126	20	10		FDCDMM
COCCO[C@@H]1COCC[C@@H]1NC(=O)NCc1cccc(Cl)c1[O-]	ZINC000894301500	815760479	/nfs/dbraw/zinc/76/04/79/815760479.db2.gz	NILMSYVDZFCUJF-UONOGXRCSA-N	-1	1	358.822	1.665	20	10		FDCDMM
CN1CCN(c2ccc(CNC(=O)N3CCC[C@H](CC(=O)[O-])C3)cc2)CC1	ZINC000898859763	845342297	/nfs/dbraw/zinc/34/22/97/845342297.db2.gz	IWZUNGKGEVCVKH-QGZVFWFLSA-N	-1	1	374.485	1.835	20	10		FDCDMM
CCN1CCN(c2ccc(CNC(=O)[C@@H]3CC[C@@H]3C(=O)[O-])cc2F)CC1	ZINC000911350828	858502434	/nfs/dbraw/zinc/50/24/34/858502434.db2.gz	MHWXMJFUSCQCHJ-CABCVRRESA-N	-1	1	363.433	1.695	20	10		FDCDMM
CN(CCc1ccccc1)CC(=O)N(CC(=O)[O-])Cc1ccccc1O	ZINC000911488697	858677324	/nfs/dbraw/zinc/67/73/24/858677324.db2.gz	MSAXKPNHVVVIPN-UHFFFAOYSA-N	-1	1	356.422	1.980	20	10		FDCDMM
CS(=O)(=O)Nc1cccc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c1	ZINC000916621602	881838682	/nfs/dbraw/zinc/83/86/82/881838682.db2.gz	BWVJEJXZIYLCGG-UHFFFAOYSA-N	-1	1	365.363	1.509	20	10		FDCDMM
[O-]c1c(Br)cccc1CNC(=S)NCCN1CCOCC1	ZINC000765978318	873992970	/nfs/dbraw/zinc/99/29/70/873992970.db2.gz	VILTZTAIZIBMSZ-UHFFFAOYSA-N	-1	1	374.304	1.451	20	10		FDCDMM
O=C(Nc1n[n-]c(C2=S=CC=C2)n1)c1ccncc1Br	ZINC000763335339	881160989	/nfs/dbraw/zinc/16/09/89/881160989.db2.gz	CPQBQGCGVDEFDW-UHFFFAOYSA-N	-1	1	350.201	1.840	20	10		FDCDMM
O=C(Nc1nc(C2=S=CC=C2)n[n-]1)c1ccncc1Br	ZINC000763335339	881160995	/nfs/dbraw/zinc/16/09/95/881160995.db2.gz	CPQBQGCGVDEFDW-UHFFFAOYSA-N	-1	1	350.201	1.840	20	10		FDCDMM
O=C(NCc1cccc(Br)c1[O-])C(=O)Nc1cnns1	ZINC000765927542	898024309	/nfs/dbraw/zinc/02/43/09/898024309.db2.gz	SLMCTTPQNANZLQ-UHFFFAOYSA-N	-1	1	357.189	1.261	20	10		FDCDMM
O=C(NCCO)c1ccc(NCc2cccc(Br)c2[O-])nn1	ZINC000764934245	906012712	/nfs/dbraw/zinc/01/27/12/906012712.db2.gz	KMCZOONSCWYIIK-UHFFFAOYSA-N	-1	1	367.203	1.279	20	10		FDCDMM
CCOc1ccc(NC(=S)NNc2nc(=O)c3cnn(C)c3[n-]2)cc1	ZINC000769794413	929682108	/nfs/dbraw/zinc/68/21/08/929682108.db2.gz	NJSASHVRTKYBOU-UHFFFAOYSA-N	-1	1	359.415	1.781	20	10		FDCDMM
COC(=O)c1n[nH]c2c1CN(Cc1ccc([N+](=O)[O-])c(OC)c1[O-])CC2	ZINC000825016561	946933021	/nfs/dbraw/zinc/93/30/21/946933021.db2.gz	DYAYYVNUZGKLFO-UHFFFAOYSA-N	-1	1	362.342	1.377	20	10		FDCDMM
O=C(CNC(=O)[C@@H]1[C@H](O)CCN1Cc1ccccc1)c1ccc([O-])c(O)c1	ZINC001143675145	947449866	/nfs/dbraw/zinc/44/98/66/947449866.db2.gz	HLQBAAUQYBTUQO-APWZRJJASA-N	-1	1	370.405	1.032	20	10		FDCDMM
C[C@H]1CN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CCN1CC(C)(C)O	ZINC000844212499	947882153	/nfs/dbraw/zinc/88/21/53/947882153.db2.gz	YYPDKOFNSFHRQJ-IYNGYCSASA-N	-1	1	363.414	1.974	20	10		FDCDMM
CCOc1ccc(N2CCN(C(=O)c3c(F)ccc(O)c3[O-])CC2)nn1	ZINC000857338727	971725567	/nfs/dbraw/zinc/72/55/67/971725567.db2.gz	POPWAEVOVRKKLZ-UHFFFAOYSA-N	-1	1	362.361	1.388	20	10		FDCDMM
Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)NCCc3cc[nH]n3)cc12	ZINC001184362020	963544092	/nfs/dbraw/zinc/54/40/92/963544092.db2.gz	MFYOSKSTLZEHQX-UHFFFAOYSA-N	-1	1	370.409	1.321	20	10		FDCDMM
CCOC(=O)c1nc(C(=O)NCC(=O)c2ccc([O-])c(O)c2)cs1	ZINC001190961261	968201119	/nfs/dbraw/zinc/20/11/19/968201119.db2.gz	VYWNVCDSAOZJDP-UHFFFAOYSA-N	-1	1	350.352	1.344	20	10		FDCDMM
Nc1ccc(S(N)(=O)=O)cc1NC(=O)c1ccc(O)c([O-])c1Cl	ZINC001193229226	969596448	/nfs/dbraw/zinc/59/64/48/969596448.db2.gz	FVJKKULJUWNLGB-UHFFFAOYSA-N	-1	1	357.775	1.233	20	10		FDCDMM
Cc1cc(CNC(=O)CCn2cc[n-]c(=O)c2=O)c(C)n1-c1ccccc1	ZINC000863165410	972691083	/nfs/dbraw/zinc/69/10/83/972691083.db2.gz	YIKLDSSGTCQHOI-UHFFFAOYSA-N	-1	1	366.421	1.651	20	10		FDCDMM
O=C1[N-]C(=S)S/C1=C\c1ccc(OCCN2CCOCC2)cc1	ZINC000864362701	973518295	/nfs/dbraw/zinc/51/82/95/973518295.db2.gz	JJKWCBDHLZHITE-KAMYIIQDSA-N	-1	1	350.465	1.886	20	10		FDCDMM
O=C(COC(=O)[C@@]1(c2ccccc2)CCC(=O)NC1)c1ccc([O-])c(O)c1	ZINC000848784576	977100277	/nfs/dbraw/zinc/10/02/77/977100277.db2.gz	APWQGUPGYRDVMW-FQEVSTJZSA-N	-1	1	369.373	1.672	20	10		FDCDMM
CCON(CC)C(=O)CNCc1c2cc(F)ccc2n(C)c1C(=O)[O-]	ZINC001596963698	986162123	/nfs/dbraw/zinc/16/21/23/986162123.db2.gz	OTYUDYGPILYVRM-UHFFFAOYSA-N	-1	1	351.378	1.905	20	10		FDCDMM
CS(=O)(=O)CC1(CN(CC(=O)[O-])Cc2cc(Cl)ccc2O)CC1	ZINC001599748070	991954755	/nfs/dbraw/zinc/95/47/55/991954755.db2.gz	IONDZMVPURFUBB-UHFFFAOYSA-N	-1	1	361.847	1.757	20	10		FDCDMM
CS(=O)(=O)CC1(C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])CC1	ZINC001599748070	991954760	/nfs/dbraw/zinc/95/47/60/991954760.db2.gz	IONDZMVPURFUBB-UHFFFAOYSA-N	-1	1	361.847	1.757	20	10		FDCDMM
CS(=O)(=O)CC1(C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])CC1	ZINC001599748070	991954767	/nfs/dbraw/zinc/95/47/67/991954767.db2.gz	IONDZMVPURFUBB-UHFFFAOYSA-N	-1	1	361.847	1.757	20	10		FDCDMM
CNS(=O)(=O)[C@@H]1CCN(Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])C1	ZINC001598669419	994730393	/nfs/dbraw/zinc/73/03/93/994730393.db2.gz	NCIHJTSTDCMAEB-LLVKDONJSA-N	-1	1	369.418	1.139	20	10		FDCDMM
COC(=O)[C@@H]1C[N@@H+](Cc2cc(C)cc(Br)c2[O-])C[C@@H]1C(=O)[O-]	ZINC001598829089	996416706	/nfs/dbraw/zinc/41/67/06/996416706.db2.gz	RMZYWEXLCNUCPT-WDEREUQCSA-N	-1	1	372.215	1.769	20	10		FDCDMM
CN1CCN(c2ccc(CNC(=O)[C@@H]3CC=CC[C@H]3C(=O)[O-])cc2)CC1	ZINC000887313937	997153012	/nfs/dbraw/zinc/15/30/12/997153012.db2.gz	OJIPNZCJASEQCZ-QZTJIDSGSA-N	-1	1	357.454	1.722	20	10		FDCDMM
CC(=O)c1cc(Cl)cc(CN2CCS(=O)(=O)C[C@@H]2CCO)c1[O-]	ZINC000932314277	1004902163	/nfs/dbraw/zinc/90/21/63/1004902163.db2.gz	FTCUGCQMFHUEBY-ZDUSSCGKSA-N	-1	1	361.847	1.230	20	10		FDCDMM
CC[N@@H+](CCC(=O)NCC(=O)[O-])Cc1cc(Br)ccc1[O-]	ZINC000829697337	600856687	/nfs/dbraw/zinc/85/66/87/600856687.db2.gz	HRKMDCKPXKBKAW-UHFFFAOYSA-N	-1	1	359.220	1.568	20	10		FDCDMM
CC[N@H+](CCC(=O)NCC(=O)[O-])Cc1cc(Br)ccc1[O-]	ZINC000829697337	600856686	/nfs/dbraw/zinc/85/66/86/600856686.db2.gz	HRKMDCKPXKBKAW-UHFFFAOYSA-N	-1	1	359.220	1.568	20	10		FDCDMM
CN(Cc1ccccc1O)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1	ZINC000825981830	607626042	/nfs/dbraw/zinc/62/60/42/607626042.db2.gz	YUWJVSKMINIZKV-UHFFFAOYSA-N	-1	1	363.374	1.532	20	10		FDCDMM
O=C([O-])NCCNC(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1	ZINC000834239303	605564599	/nfs/dbraw/zinc/56/45/99/605564599.db2.gz	AGLNVDAZOYBHGU-LLVKDONJSA-N	-1	1	355.822	1.641	20	10		FDCDMM
O=C([O-])NCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1	ZINC000834239303	605564602	/nfs/dbraw/zinc/56/46/02/605564602.db2.gz	AGLNVDAZOYBHGU-LLVKDONJSA-N	-1	1	355.822	1.641	20	10		FDCDMM
O=C(CCC(=O)N1CCOCC1)NCc1cccc(Br)c1[O-]	ZINC000277567690	674969265	/nfs/dbraw/zinc/96/92/65/674969265.db2.gz	QGVVDHIQJCSRPH-UHFFFAOYSA-N	-1	1	371.231	1.410	20	10		FDCDMM
CN1C[C@@H](NC(=O)NCc2cccc(Br)c2[O-])CCC1=O	ZINC000277615825	674980105	/nfs/dbraw/zinc/98/01/05/674980105.db2.gz	WCICYEVTTWAGEX-JTQLQIEISA-N	-1	1	356.220	1.575	20	10		FDCDMM
Cc1nc(S(=O)(=O)[N-]Cc2ccccc2O)c(Br)n1C	ZINC000287640831	675919059	/nfs/dbraw/zinc/91/90/59/675919059.db2.gz	BWHZNEGTWZXCGI-UHFFFAOYSA-N	-1	1	360.233	1.675	20	10		FDCDMM
CC(=O)c1cc(CN2CCOCC2)c([O-])c(CN2CCSCC2)c1	ZINC000124014908	671732237	/nfs/dbraw/zinc/73/22/37/671732237.db2.gz	MQMWHQHXBFLUJT-UHFFFAOYSA-N	-1	1	350.484	1.976	20	10		FDCDMM
O=C(N[C@H]1CCCN(C(=O)N2CCCC2)C1)c1c(F)ccc(O)c1[O-]	ZINC000295197433	676402297	/nfs/dbraw/zinc/40/22/97/676402297.db2.gz	DXILUPDNLQJOSZ-NSHDSACASA-N	-1	1	351.378	1.647	20	10		FDCDMM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(O)c(C(=O)[O-])c1	ZINC000327303248	676591153	/nfs/dbraw/zinc/59/11/53/676591153.db2.gz	RIEUASFMXCGKMC-UHFFFAOYSA-N	-1	1	368.323	1.808	20	10		FDCDMM
CNS(=O)(=O)[C@@H]1CCCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C1	ZINC000371866239	677795956	/nfs/dbraw/zinc/79/59/56/677795956.db2.gz	GJRVYEVNHVVGRQ-CYBMUJFWSA-N	-1	1	360.863	1.762	20	10		FDCDMM
CCC1(CC)NC(=O)N(CC(=O)NCc2cccc(Cl)c2[O-])C1=O	ZINC000890758614	771589405	/nfs/dbraw/zinc/58/94/05/771589405.db2.gz	QYECJCGSJHHHFC-UHFFFAOYSA-N	-1	1	353.806	1.772	20	10		FDCDMM
CC(C)(C)OC(=O)N1CC(O)(C(=O)NCc2cccc(Cl)c2[O-])C1	ZINC000890760893	771610890	/nfs/dbraw/zinc/61/08/90/771610890.db2.gz	DAVMJYBZRBSWOF-UHFFFAOYSA-N	-1	1	356.806	1.644	20	10		FDCDMM
O=C1NC(=O)[C@@H]2CN(Cc3cc(Cl)cc(Br)c3[O-])C[C@H]12	ZINC000894901900	819269285	/nfs/dbraw/zinc/26/92/85/819269285.db2.gz	GPXOXRJDSYCMAR-DTORHVGOSA-N	-1	1	359.607	1.513	20	10		FDCDMM
CC(C)[C@@H](C(=O)OCC(=O)c1ccc([O-])c(O)c1)N1C[C@@H](C)O[C@@H](C)C1	ZINC000783781562	833632094	/nfs/dbraw/zinc/63/20/94/833632094.db2.gz	YQRKJACULMSZMM-JCGVRSQUSA-N	-1	1	365.426	1.958	20	10		FDCDMM
C[C@@H]1CN(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)CC[C@H]1C(=O)[O-]	ZINC000898859767	845341795	/nfs/dbraw/zinc/34/17/95/845341795.db2.gz	JCAMJUYRKGJVTR-CRAIPNDOSA-N	-1	1	374.485	1.691	20	10		FDCDMM
C[C@]1(C(=O)NCc2cccc(Br)c2[O-])CCCS1(=O)=O	ZINC000907758669	854604570	/nfs/dbraw/zinc/60/45/70/854604570.db2.gz	RTXLQUPTBWCTES-CYBMUJFWSA-N	-1	1	362.245	1.738	20	10		FDCDMM
COc1cc(NC=C2C(=O)[N-]C(=S)N(CC(C)C)C2=O)cc(OC)c1	ZINC000920975282	887360332	/nfs/dbraw/zinc/36/03/32/887360332.db2.gz	BIFMFUBYNPPMSE-RIYZIHGNSA-N	-1	1	363.439	1.899	20	10		FDCDMM
Cc1conc1NC(=O)C(=O)NCc1cccc(Br)c1[O-]	ZINC000765924766	898036001	/nfs/dbraw/zinc/03/60/01/898036001.db2.gz	AXPMGBDRYMVOOW-UHFFFAOYSA-N	-1	1	354.160	1.706	20	10		FDCDMM
CN(C)C(=O)CCCNC(=O)NCc1cccc(Br)c1[O-]	ZINC000764765229	905646395	/nfs/dbraw/zinc/64/63/95/905646395.db2.gz	AWUNQMPOVRGCBK-UHFFFAOYSA-N	-1	1	358.236	1.822	20	10		FDCDMM
O=S(=O)([N-]c1cc(-n2cnnn2)ccc1F)c1cccc2nonc21	ZINC000765056845	906290081	/nfs/dbraw/zinc/29/00/81/906290081.db2.gz	VWXRCZHQOXINEW-UHFFFAOYSA-N	-1	1	361.318	1.138	20	10		FDCDMM
O=C(CSc1nnnn1-c1ccc2c(c1)OCO2)c1ccc([O-])c(O)c1	ZINC000734981481	923919036	/nfs/dbraw/zinc/91/90/36/923919036.db2.gz	KVKGMRNQUWTYPW-UHFFFAOYSA-N	-1	1	372.362	1.777	20	10		FDCDMM
Cc1cc(C(=O)N2CCOC[C@H]2c2nn[n-]n2)c(C)n1-c1ccc(F)cc1	ZINC000737234852	924982993	/nfs/dbraw/zinc/98/29/93/924982993.db2.gz	RSPZAUUZSWTNOU-INIZCTEOSA-N	-1	1	370.388	1.960	20	10		FDCDMM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2cnn(-c3ccccn3)c2)c1	ZINC000769904972	929730470	/nfs/dbraw/zinc/73/04/70/929730470.db2.gz	NUAYBOBJNZYYAJ-UHFFFAOYSA-N	-1	1	373.394	1.597	20	10		FDCDMM
Cn1c(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])nc2cccnc21	ZINC000771580213	930729370	/nfs/dbraw/zinc/72/93/70/930729370.db2.gz	LCEONNXHPSFIPF-UHFFFAOYSA-N	-1	1	361.383	1.298	20	10		FDCDMM
Cc1ccn(CC(=O)NCc2cccc(Br)c2[O-])c(=O)c1	ZINC000772658967	931412654	/nfs/dbraw/zinc/41/26/54/931412654.db2.gz	MOAHALHCWAEGPG-UHFFFAOYSA-N	-1	1	351.200	1.941	20	10		FDCDMM
CS(=O)(=O)Cc1ccc(CNC(=O)c2c(F)ccc(O)c2[O-])cc1	ZINC000788288306	932640735	/nfs/dbraw/zinc/64/07/35/932640735.db2.gz	NYVOLIGKTJZWSR-UHFFFAOYSA-N	-1	1	353.371	1.712	20	10		FDCDMM
O=C(CCCc1nn[n-]n1)NCc1ccc(N2CCC(CO)CC2)cc1	ZINC001147838187	952547694	/nfs/dbraw/zinc/54/76/94/952547694.db2.gz	QYCKRZRHZIQNII-UHFFFAOYSA-N	-1	1	358.446	1.048	20	10		FDCDMM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2cc(=O)c(Cl)c[nH]2)c1	ZINC000774290411	962010878	/nfs/dbraw/zinc/01/08/78/962010878.db2.gz	FONXZKZRFSSAJM-UHFFFAOYSA-N	-1	1	357.775	1.770	20	10		FDCDMM
COC[C@H](NC(=O)CN(C)Cc1cc2c(C)cc(=O)oc2cc1[O-])C1CC1	ZINC001184360353	963541564	/nfs/dbraw/zinc/54/15/64/963541564.db2.gz	NUMLOGURQVBJJR-INIZCTEOSA-N	-1	1	374.437	1.780	20	10		FDCDMM
O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[C@@H](Cc2nn[n-]n2)C1	ZINC001177870034	963986955	/nfs/dbraw/zinc/98/69/55/963986955.db2.gz	GZOJFLHAHRQHHC-VIFPVBQESA-N	-1	1	359.411	1.921	20	10		FDCDMM
O=C(NCc1cccc(Br)c1[O-])C(=O)Nc1ccc(F)cn1	ZINC000773757947	964320514	/nfs/dbraw/zinc/32/05/14/964320514.db2.gz	VKMXWRGSTJEOJV-UHFFFAOYSA-N	-1	1	368.162	1.944	20	10		FDCDMM
COc1ccc2c(c1)C[C@@H](C(=O)NCC(=O)c1ccc([O-])c(O)c1)CO2	ZINC001180365256	965285009	/nfs/dbraw/zinc/28/50/09/965285009.db2.gz	WKZBIAVSXZXPDX-CYBMUJFWSA-N	-1	1	357.362	1.657	20	10		FDCDMM
Cn1nc(C(=O)[O-])cc1CNCc1ccc(N2CCC(C(N)=O)CC2)cc1	ZINC001605544971	973749825	/nfs/dbraw/zinc/74/98/25/973749825.db2.gz	MWLHYQHSDRINOO-UHFFFAOYSA-N	-1	1	371.441	1.110	20	10		FDCDMM
O=C(CNC(=O)c1cn(Cc2ccncc2)cn1)c1ccc([O-])c(O)c1	ZINC001199419371	974237098	/nfs/dbraw/zinc/23/70/98/974237098.db2.gz	NSZPLCCQDFYSLZ-UHFFFAOYSA-N	-1	1	352.350	1.350	20	10		FDCDMM
COC(=O)[C@@H]1O[C@@H](C(=O)NCc2cccc(Br)c2[O-])C[C@H]1C	ZINC000867831224	976956194	/nfs/dbraw/zinc/95/61/94/976956194.db2.gz	SLOGMCDBDWCORD-XTWCZFFVSA-N	-1	1	372.215	1.738	20	10		FDCDMM
CC(=O)c1cc(F)cc(CN2CCC(n3cc(C(=O)[O-])nn3)CC2)c1O	ZINC000851707930	979578132	/nfs/dbraw/zinc/57/81/32/979578132.db2.gz	NNFDUUWUFOAEEZ-UHFFFAOYSA-N	-1	1	362.361	1.861	20	10		FDCDMM
CCn1nccc1C=C(Cl)c1nc2c(c(=O)[nH]1)=C(C)C(C(=O)[O-])=S=2	ZINC001597962629	989992660	/nfs/dbraw/zinc/99/26/60/989992660.db2.gz	OMTDRDCFHITLQW-RMKNXTFCSA-N	-1	1	364.814	1.561	20	10		FDCDMM
O=C1NCCN1[C@H]1CCCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1	ZINC000092188566	524851289	/nfs/dbraw/zinc/85/12/89/524851289.db2.gz	RVDRXZIALPKYAK-LBPRGKRZSA-N	-1	1	354.794	1.943	20	10		FDCDMM
COC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccc(N(C)C)c(F)c2)o1	ZINC000107700185	525911664	/nfs/dbraw/zinc/91/16/64/525911664.db2.gz	IIUQLIUFURXLSL-UHFFFAOYSA-N	-1	1	356.375	1.750	20	10		FDCDMM
COc1cc([N+](=O)[O-])c(N2CCC(c3n[n-]c(=O)o3)CC2)cc1OC	ZINC000285803053	537297029	/nfs/dbraw/zinc/29/70/29/537297029.db2.gz	YFVVBHFCEOGCKK-UHFFFAOYSA-N	-1	1	350.331	1.672	20	10		FDCDMM
CC(C)c1ncc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cn1	ZINC000279967746	537361637	/nfs/dbraw/zinc/36/16/37/537361637.db2.gz	OGMDMNYLOKPKNO-UHFFFAOYSA-N	-1	1	350.400	1.929	20	10		FDCDMM
COc1ccc(C[C@H](CO)CNC(=O)c2c(F)ccc(O)c2[O-])cc1O	ZINC000295078302	537710403	/nfs/dbraw/zinc/71/04/03/537710403.db2.gz	IJKYHQJPYCMPQX-NSHDSACASA-N	-1	1	365.357	1.532	20	10		FDCDMM
CCN1CCN(c2ccc(CNC(=O)NCCNC(=O)[O-])cc2F)CC1	ZINC000739454649	602710821	/nfs/dbraw/zinc/71/08/21/602710821.db2.gz	DYRNIEQYZPSTOU-UHFFFAOYSA-N	-1	1	367.425	1.034	20	10		FDCDMM
CCc1nc([C@@H]2CN(c3ccc(C=CC(=O)[O-])cc3[N+](=O)[O-])CCO2)n[nH]1	ZINC000830304626	604273667	/nfs/dbraw/zinc/27/36/67/604273667.db2.gz	SSHTVGCNJKVKLH-SDQPKGBYSA-N	-1	1	373.369	1.951	20	10		FDCDMM
C[C@H](NC(=O)[O-])C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	ZINC000825177534	605520432	/nfs/dbraw/zinc/52/04/32/605520432.db2.gz	LRODQNUBDNXYAU-GXFFZTMASA-N	-1	1	355.822	1.782	20	10		FDCDMM
O=S(=O)(C[C@H]1CCCO1)NCc1cccc(Br)c1[O-]	ZINC000277445535	674944616	/nfs/dbraw/zinc/94/46/16/674944616.db2.gz	FPWHPNIOMXJYHT-SNVBAGLBSA-N	-1	1	350.234	1.753	20	10		FDCDMM
CC(C)N1C[C@@H](NC(=O)NCc2cccc(Br)c2[O-])CC1=O	ZINC000277447863	674944890	/nfs/dbraw/zinc/94/48/90/674944890.db2.gz	NBYASBYDAYHUJD-NSHDSACASA-N	-1	1	370.247	1.963	20	10		FDCDMM
Cc1nc(S(=O)(=O)NCc2cccc(Br)c2[O-])cn1C	ZINC000277475299	674951439	/nfs/dbraw/zinc/95/14/39/674951439.db2.gz	KZJAYFNSJFXBDS-UHFFFAOYSA-N	-1	1	360.233	1.675	20	10		FDCDMM
C[C@H](NC(=O)NCc1cccc(Br)c1[O-])c1ncn(C)n1	ZINC000277650283	674988870	/nfs/dbraw/zinc/98/88/70/674988870.db2.gz	YGMKADUJKOHCJR-QMMMGPOBSA-N	-1	1	354.208	1.844	20	10		FDCDMM
COC(=O)C[C@@H]1C(=O)NCCN1Cc1cc(Cl)cc(C(C)=O)c1[O-]	ZINC000267394355	673299337	/nfs/dbraw/zinc/29/93/37/673299337.db2.gz	OATKQBCIUZODEY-CYBMUJFWSA-N	-1	1	354.790	1.112	20	10		FDCDMM
COC(=O)[C@@H]1C[C@H](OC)CCN1Cc1ccc([N+](=O)[O-])c(OC)c1[O-]	ZINC000370517658	677587081	/nfs/dbraw/zinc/58/70/81/677587081.db2.gz	HIQCJNBNOIFLRN-YPMHNXCESA-N	-1	1	354.359	1.461	20	10		FDCDMM
CNC(=O)NC[C@H]1CN(Cc2cc(C)cc(Br)c2[O-])CCO1	ZINC000529640078	694790157	/nfs/dbraw/zinc/79/01/57/694790157.db2.gz	BCTXDPGGYZOMLM-LBPRGKRZSA-N	-1	1	372.263	1.593	20	10		FDCDMM
CC1=C(C(=O)OCC(=O)c2ccc([O-])c(O)c2)[C@@H](C)n2ncnc2N1C	ZINC000784920305	769349531	/nfs/dbraw/zinc/34/95/31/769349531.db2.gz	AJQGHXLRZBAMKK-SNVBAGLBSA-N	-1	1	358.354	1.400	20	10		FDCDMM
C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)c2c(F)ccc(O)c2[O-])CC1	ZINC000276630994	778413385	/nfs/dbraw/zinc/41/33/85/778413385.db2.gz	STIKWJYEBFOJEL-LBPRGKRZSA-N	-1	1	365.405	1.006	20	10		FDCDMM
CCCNC(=O)CCNC(=O)NCc1cccc(Br)c1[O-]	ZINC000764765962	905599223	/nfs/dbraw/zinc/59/92/23/905599223.db2.gz	XDWBJUCZVXLAGX-UHFFFAOYSA-N	-1	1	358.236	1.870	20	10		FDCDMM
C[C@H](CNC(=O)NCc1cccc(Br)c1[O-])S(C)(=O)=O	ZINC000764799254	905700550	/nfs/dbraw/zinc/70/05/50/905700550.db2.gz	JGTRSZLMMBKZNM-MRVPVSSYSA-N	-1	1	365.249	1.387	20	10		FDCDMM
CS(=O)(=O)c1ccc(F)c([N-]S(=O)(=O)c2cccc3nonc32)c1	ZINC000765041886	906301858	/nfs/dbraw/zinc/30/18/58/906301858.db2.gz	SQGSWJKNFHKXBF-UHFFFAOYSA-N	-1	1	371.371	1.566	20	10		FDCDMM
Nc1ncc([N+](=O)[O-])cc1C(=O)NCc1cccc(Br)c1[O-]	ZINC000765751268	908687744	/nfs/dbraw/zinc/68/77/44/908687744.db2.gz	CULOJWQMWJYNNB-UHFFFAOYSA-N	-1	1	367.159	1.970	20	10		FDCDMM
Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)NCCC3COC3)cc12	ZINC001184361441	963541509	/nfs/dbraw/zinc/54/15/09/963541509.db2.gz	HJVOGONVWHHQME-UHFFFAOYSA-N	-1	1	360.410	1.392	20	10		FDCDMM
COCc1nc(C(=O)NCc2cccc(Br)c2[O-])n(C)n1	ZINC000853805069	968332848	/nfs/dbraw/zinc/33/28/48/968332848.db2.gz	UXQMWMJXAIKDOA-UHFFFAOYSA-N	-1	1	355.192	1.360	20	10		FDCDMM
COc1ccc(N2CC[C@H](NC(=O)c3nc4ccccc4c(=O)[n-]3)C2)cc1	ZINC000853818002	968344538	/nfs/dbraw/zinc/34/45/38/968344538.db2.gz	QFYBFMJPXILOCW-ZDUSSCGKSA-N	-1	1	364.405	1.940	20	10		FDCDMM
COC(=O)c1cn2c(n1)CN(C(=O)c1ccc(O)c([O-])c1Cl)CC2	ZINC001193232259	969562560	/nfs/dbraw/zinc/56/25/60/969562560.db2.gz	GKRKWRMPAADYOT-UHFFFAOYSA-N	-1	1	351.746	1.390	20	10		FDCDMM
O=C(c1ccc(O)c([O-])c1Cl)N1CC[C@@H](N2CCOCC2)[C@@H](F)C1	ZINC001193233250	969563198	/nfs/dbraw/zinc/56/31/98/969563198.db2.gz	WYEBZYULXDIDGK-NWDGAFQWSA-N	-1	1	358.797	1.636	20	10		FDCDMM
COCC(=O)N[C@H]1CC[C@H](NC(=O)c2ccc(O)c([O-])c2Cl)CC1	ZINC001193246984	969574029	/nfs/dbraw/zinc/57/40/29/969574029.db2.gz	GJTWPSFNMJEMST-MGCOHNPYSA-N	-1	1	356.806	1.555	20	10		FDCDMM
O=C(c1ccc(O)c([O-])c1Cl)N1CCCC[C@@H]1C(=O)N1CCOCC1	ZINC001193225330	969593664	/nfs/dbraw/zinc/59/36/64/969593664.db2.gz	KTGIESRDLUKESG-GFCCVEGCSA-N	-1	1	368.817	1.605	20	10		FDCDMM
CC(C)OC(=O)c1ncccc1C(=O)NCC(=O)c1ccc([O-])c(O)c1	ZINC001194041528	969970495	/nfs/dbraw/zinc/97/04/95/969970495.db2.gz	YZQBGNIFFGKABM-UHFFFAOYSA-N	-1	1	358.350	1.671	20	10		FDCDMM
Cc1cc(C(=O)NCC(=O)c2ccc([O-])c(O)c2)nn1Cc1ccccn1	ZINC001199661945	974444793	/nfs/dbraw/zinc/44/47/93/974444793.db2.gz	GLNDQSLFJZYRRO-UHFFFAOYSA-N	-1	1	366.377	1.659	20	10		FDCDMM
CO[C@@H]1C[C@@H]2CN(C(=O)c3c(F)ccc(O)c3[O-])Cc3cccnc3N2C1	ZINC000881270492	979795593	/nfs/dbraw/zinc/79/55/93/979795593.db2.gz	UQRIJBYRJAYYBJ-CHWSQXEVSA-N	-1	1	373.384	1.882	20	10		FDCDMM
COc1ccc(O)c([C@@H](C)NC(=O)Cc2noc(C)c2-c2nnn[n-]2)c1	ZINC000826210405	979954375	/nfs/dbraw/zinc/95/43/75/979954375.db2.gz	QCKAJTWQRAFFNZ-MRVPVSSYSA-N	-1	1	358.358	1.297	20	10		FDCDMM
COc1ccc(O)c([C@@H](C)NC(=O)Cc2noc(C)c2-c2nn[n-]n2)c1	ZINC000826210405	979954377	/nfs/dbraw/zinc/95/43/77/979954377.db2.gz	QCKAJTWQRAFFNZ-MRVPVSSYSA-N	-1	1	358.358	1.297	20	10		FDCDMM
Cn1nc(C(=O)[O-])cc1CNCc1ccc(N2CCC(CO)CC2)cc1	ZINC000874040513	989668200	/nfs/dbraw/zinc/66/82/00/989668200.db2.gz	MTNUQPGZTPFBGL-UHFFFAOYSA-N	-1	1	358.442	1.617	20	10		FDCDMM
Cc1cc(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)c(C)n1-c1ccccn1	ZINC000370853339	990045246	/nfs/dbraw/zinc/04/52/46/990045246.db2.gz	RYARXXLCQINOSL-CQSZACIVSA-N	-1	1	353.386	1.216	20	10		FDCDMM
O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc2n[n-]c(=S)n2c1	ZINC000283053095	999739154	/nfs/dbraw/zinc/73/91/54/999739154.db2.gz	OIOFUDRPIVADQM-UHFFFAOYSA-N	-1	1	369.450	1.785	20	10		FDCDMM
CN(C)c1ccc(CN(C)C(=O)C(=O)/N=c2/ccnc3n(C)[n-]cc2-3)cc1	ZINC000287441014	999958028	/nfs/dbraw/zinc/95/80/28/999958028.db2.gz	LWTVCMYTMMXQCK-JWGURIENSA-N	-1	1	366.425	1.005	20	10		FDCDMM
CN(C)S(=O)(=O)CCC[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-]	ZINC000737370414	600144230	/nfs/dbraw/zinc/14/42/30/600144230.db2.gz	JVNCOHJXEFNFQA-UHFFFAOYSA-N	-1	1	364.851	1.214	20	10		FDCDMM
CN(C)S(=O)(=O)CCC[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-]	ZINC000737370414	600144233	/nfs/dbraw/zinc/14/42/33/600144233.db2.gz	JVNCOHJXEFNFQA-UHFFFAOYSA-N	-1	1	364.851	1.214	20	10		FDCDMM
O=C([O-])C[N@H+](CCC(=O)N1CCOCC1)Cc1cc(Cl)ccc1[O-]	ZINC000739785083	600144925	/nfs/dbraw/zinc/14/49/25/600144925.db2.gz	JOVMZEYELCGYPL-UHFFFAOYSA-N	-1	1	356.806	1.181	20	10		FDCDMM
O=C([O-])C[N@@H+](CCC(=O)N1CCOCC1)Cc1cc(Cl)ccc1[O-]	ZINC000739785083	600144927	/nfs/dbraw/zinc/14/49/27/600144927.db2.gz	JOVMZEYELCGYPL-UHFFFAOYSA-N	-1	1	356.806	1.181	20	10		FDCDMM
CCN1CCN(c2ccc(CNC(=O)C(C)(C)NC(=O)[O-])cc2F)CC1	ZINC000737116251	602752831	/nfs/dbraw/zinc/75/28/31/602752831.db2.gz	PYPWDIOUBSVDES-UHFFFAOYSA-N	-1	1	366.437	1.630	20	10		FDCDMM
O=C1Nc2cc(Cl)c([N+](=O)[O-])cc2C1=CC1=S=C(c2nn[n-]n2)C=C1	ZINC000823546858	606391861	/nfs/dbraw/zinc/39/18/61/606391861.db2.gz	GFLNEEPTUGBBBI-FPYGCLRLSA-N	-1	1	374.769	1.793	20	10		FDCDMM
C[C@@H](NC(=O)NCc1cccc(Br)c1[O-])c1ncnn1C	ZINC000277629285	674983644	/nfs/dbraw/zinc/98/36/44/674983644.db2.gz	WZYWOZLOFWDWNG-MRVPVSSYSA-N	-1	1	354.208	1.844	20	10		FDCDMM
Cn1nccc1COCC(=O)NCc1cccc(Br)c1[O-]	ZINC000286972508	675910747	/nfs/dbraw/zinc/91/07/47/675910747.db2.gz	GXCFBMNEROXMGI-UHFFFAOYSA-N	-1	1	354.204	1.721	20	10		FDCDMM
O=C(Cn1cc(Br)cc([N+](=O)[O-])c1=O)c1ccc([O-])c(O)c1	ZINC000158371457	671979390	/nfs/dbraw/zinc/97/93/90/671979390.db2.gz	RXJGMYNWZLTAMZ-UHFFFAOYSA-N	-1	1	369.127	1.813	20	10		FDCDMM
CCS(=O)(=O)N1CCC[C@@H](C(=O)NCc2cccc(Cl)c2[O-])C1	ZINC000890758023	771587328	/nfs/dbraw/zinc/58/73/28/771587328.db2.gz	PZEVHGRSYPXXES-GFCCVEGCSA-N	-1	1	360.863	1.724	20	10		FDCDMM
[O-]c1c(F)cc(Br)cc1CN1CCN(Cc2nnc[nH]2)CC1	ZINC000895492940	822624285	/nfs/dbraw/zinc/62/42/85/822624285.db2.gz	CNBBEQFOLNKPMC-UHFFFAOYSA-N	-1	1	370.226	1.730	20	10		FDCDMM
C[C@@H](C(=O)OCC(=O)c1ccc([O-])c(O)c1)N1C(=O)c2ccccc2C1=O	ZINC000916590492	881785758	/nfs/dbraw/zinc/78/57/58/881785758.db2.gz	GSASUXISQPGRLG-JTQLQIEISA-N	-1	1	369.329	1.508	20	10		FDCDMM
COc1cccc(C(=O)NCC(=O)OCC(=O)c2ccc([O-])c(O)c2)c1	ZINC000916591075	881787685	/nfs/dbraw/zinc/78/76/85/881787685.db2.gz	ZFEACIJKARZZKC-UHFFFAOYSA-N	-1	1	359.334	1.262	20	10		FDCDMM
O=C(c1ccc(S(=O)(=O)[N-]c2ccc(O)cc2)cc1)N1CCOCC1	ZINC000915186070	875686910	/nfs/dbraw/zinc/68/69/10/875686910.db2.gz	GDVLUPZHCAFOHX-UHFFFAOYSA-N	-1	1	362.407	1.665	20	10		FDCDMM
C[S@@](=O)(=NS(=O)(=O)[N-]Cc1ccc(O)cc1O)C1CCCCC1	ZINC001212222335	882957409	/nfs/dbraw/zinc/95/74/09/882957409.db2.gz	FEJQLUYAMHZDPH-QFIPXVFZSA-N	-1	1	362.473	1.863	20	10		FDCDMM
CS(=O)(=O)[N-]c1ccc(S(=O)(=O)Nc2ccc(O)cc2)c(F)c1	ZINC000919954489	886449712	/nfs/dbraw/zinc/44/97/12/886449712.db2.gz	NAKWAJIREJCNOB-UHFFFAOYSA-N	-1	1	360.388	1.704	20	10		FDCDMM
COC(=O)c1ccc(NC=C2C(=O)[N-]C(=S)N(CC(C)C)C2=O)cc1	ZINC000920974745	887358641	/nfs/dbraw/zinc/35/86/41/887358641.db2.gz	RDGQSORSNJXMES-MDWZMJQESA-N	-1	1	361.423	1.668	20	10		FDCDMM
COCCN1C(=O)C(=CNc2cc(Cl)ccc2C)C(=O)[N-]C1=S	ZINC000920977545	887362257	/nfs/dbraw/zinc/36/22/57/887362257.db2.gz	CNISZVIDLOOOOT-DHZHZOJOSA-N	-1	1	353.831	1.834	20	10		FDCDMM
CCn1cc(C(=O)C(=O)NCc2cccc(Br)c2[O-])cn1	ZINC000765747043	908595702	/nfs/dbraw/zinc/59/57/02/908595702.db2.gz	KHAIEUIDXNHJTP-UHFFFAOYSA-N	-1	1	352.188	1.870	20	10		FDCDMM
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3cncc([O-])c3)cc2)C1	ZINC000732275469	919296935	/nfs/dbraw/zinc/29/69/35/919296935.db2.gz	XSGGAJJFUBPPML-AWEZNQCLSA-N	-1	1	354.410	1.419	20	10		FDCDMM
Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@@H]2c2nn[n-]n2)cc1	ZINC000737329376	925003565	/nfs/dbraw/zinc/00/35/65/925003565.db2.gz	JEHUSWKZBDEMBD-MRXNPFEDSA-N	-1	1	352.398	1.821	20	10		FDCDMM
CN(C)c1ncccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000769717723	929633932	/nfs/dbraw/zinc/63/39/32/929633932.db2.gz	YUDLCAGIYLTMJW-UHFFFAOYSA-N	-1	1	350.400	1.477	20	10		FDCDMM
Cc1ccc(C(N)=O)cc1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000769742339	929659532	/nfs/dbraw/zinc/65/95/32/929659532.db2.gz	PWRFSSITPFTDOL-UHFFFAOYSA-N	-1	1	363.395	1.423	20	10		FDCDMM
CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)cc1	ZINC000771219651	930543284	/nfs/dbraw/zinc/54/32/84/930543284.db2.gz	LNFOZRGUJFXZSP-UHFFFAOYSA-N	-1	1	356.425	1.410	20	10		FDCDMM
Cn1ncc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1C1CC1	ZINC000771488629	930694679	/nfs/dbraw/zinc/69/46/79/930694679.db2.gz	HVTDRQRFHXYVMB-UHFFFAOYSA-N	-1	1	350.400	1.627	20	10		FDCDMM
COc1ccc(N2CCC(NC(=O)c3[nH]c(=O)[n-]c(=O)c3OC)CC2)cc1	ZINC000788655400	932777898	/nfs/dbraw/zinc/77/78/98/932777898.db2.gz	LCQVIQWFQAAUPC-UHFFFAOYSA-N	-1	1	374.397	1.304	20	10		FDCDMM
CNS(=O)(=O)c1ccc([O-])c(NC(=O)/C=C/c2ccc(O)c(O)c2)c1	ZINC000794124934	938364739	/nfs/dbraw/zinc/36/47/39/938364739.db2.gz	NLHJSMGFPOAUIS-XVNBXDOJSA-N	-1	1	364.379	1.363	20	10		FDCDMM
CCOC(=O)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(O)cc2)cn1C	ZINC000808066078	940515110	/nfs/dbraw/zinc/51/51/10/940515110.db2.gz	FARMGAITQHHGTG-UHFFFAOYSA-N	-1	1	352.368	1.277	20	10		FDCDMM
COc1ccc(N2CC[C@@H](C[N-]S(=O)(=O)c3c(N)noc3C)C2)cc1	ZINC000819888340	943774296	/nfs/dbraw/zinc/77/42/96/943774296.db2.gz	VCFIOHQGWAGOEO-LBPRGKRZSA-N	-1	1	366.443	1.379	20	10		FDCDMM
O=C(NCCc1nnc(-c2ccccc2)[nH]1)c1cc(=O)n(-c2ccccc2)[n-]1	ZINC001147889811	952559021	/nfs/dbraw/zinc/55/90/21/952559021.db2.gz	RTYMWCDSWWDSSN-UHFFFAOYSA-N	-1	1	374.404	1.923	20	10		FDCDMM
Cc1cc(=O)n(-c2ccc(C(=O)NCC(=O)c3ccc(O)c(O)c3)cc2)[n-]1	ZINC001148341297	952701149	/nfs/dbraw/zinc/70/11/49/952701149.db2.gz	XGABCNZUOUJMST-UHFFFAOYSA-N	-1	1	367.361	1.823	20	10		FDCDMM
O=C(Cc1ccc(N2CCNC2=O)cc1)NCC(=O)c1ccc([O-])c(O)c1	ZINC001182054874	961384697	/nfs/dbraw/zinc/38/46/97/961384697.db2.gz	BJGBWARKNYHUGP-UHFFFAOYSA-N	-1	1	369.377	1.169	20	10		FDCDMM
Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)NCc3cncnc3)cc12	ZINC001184361938	963543152	/nfs/dbraw/zinc/54/31/52/963543152.db2.gz	LVAITTSQXMJCDK-UHFFFAOYSA-N	-1	1	368.393	1.345	20	10		FDCDMM
O=C(Cc1ccc2c(c1)OC(F)(F)O2)NCC(=O)c1ccc([O-])c(O)c1	ZINC001185492588	963958543	/nfs/dbraw/zinc/95/85/43/963958543.db2.gz	BVGGGSCSMOSVAX-UHFFFAOYSA-N	-1	1	365.288	1.961	20	10		FDCDMM
O=C(COC(=O)C1CCC(NC(=O)C2CC2)CC1)c1ccc([O-])c(O)c1	ZINC000795951836	1013534843	/nfs/dbraw/zinc/53/48/43/1013534843.db2.gz	IRRILCDYSURPHH-UHFFFAOYSA-N	-1	1	361.394	1.909	20	10		FDCDMM
CCOC(=O)c1nc2n(n1)CCN(C(=O)c1ccc(O)c([O-])c1Cl)C2	ZINC001193220198	969548201	/nfs/dbraw/zinc/54/82/01/969548201.db2.gz	RDNIHYFARFNJLS-UHFFFAOYSA-N	-1	1	366.761	1.175	20	10		FDCDMM
CCOC(=O)[C@H]1c2n[nH]cc2CCN1C(=O)c1ccc(O)c([O-])c1Cl	ZINC001193232949	969563303	/nfs/dbraw/zinc/56/33/03/969563303.db2.gz	RPIJZMBLOKPLDH-CYBMUJFWSA-N	-1	1	365.773	1.777	20	10		FDCDMM
Nc1cccc2c1CS(=O)(=O)N2C(=O)c1ccc(O)c([O-])c1Cl	ZINC001193230612	969597104	/nfs/dbraw/zinc/59/71/04/969597104.db2.gz	XWQMXSHHUCAAMF-UHFFFAOYSA-N	-1	1	354.771	1.824	20	10		FDCDMM
O=C(CNC(=O)c1ccc(=O)n(-c2ccccc2)c1)c1ccc([O-])c(O)c1	ZINC001194581772	970261000	/nfs/dbraw/zinc/26/10/00/970261000.db2.gz	FYONMFWJMSVUFL-UHFFFAOYSA-N	-1	1	364.357	1.861	20	10		FDCDMM
COC(=O)c1oc(S(=O)(=O)[N-]Cc2ccc(N(C)C)cc2)cc1C	ZINC000851754092	979030655	/nfs/dbraw/zinc/03/06/55/979030655.db2.gz	NNMITVILAHLCPN-UHFFFAOYSA-N	-1	1	352.412	1.919	20	10		FDCDMM
CN(C)c1ccc(C[N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])cc1F	ZINC000858925675	982376601	/nfs/dbraw/zinc/37/66/01/982376601.db2.gz	MSJPIBXLFOZGNX-UHFFFAOYSA-N	-1	1	357.367	1.012	20	10		FDCDMM
Cc1cc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)nn1C1CCOCC1	ZINC000859896498	983069097	/nfs/dbraw/zinc/06/90/97/983069097.db2.gz	SWFVWZWRDAEMJA-UHFFFAOYSA-N	-1	1	360.366	1.994	20	10		FDCDMM
COc1c([O-])c(CN2CC[C@H]3CC[C@@H](C2)S3(=O)=O)ccc1[N+](=O)[O-]	ZINC000862525464	984403991	/nfs/dbraw/zinc/40/39/91/984403991.db2.gz	BOUHPPAHJCKNIW-NEPJUHHUSA-N	-1	1	356.400	1.461	20	10		FDCDMM
CCN(CC)C(=O)CN1CCCN(C(=O)c2c(F)ccc(O)c2[O-])CC1	ZINC000294823939	988545059	/nfs/dbraw/zinc/54/50/59/988545059.db2.gz	KVPJFDIXVJWDGP-UHFFFAOYSA-N	-1	1	367.421	1.253	20	10		FDCDMM
COc1c([O-])c(CN2Cc3ccccc3C[C@H]2C(N)=O)ccc1[N+](=O)[O-]	ZINC000365116808	990038695	/nfs/dbraw/zinc/03/86/95/990038695.db2.gz	AJKOAAOWUYNAJS-HNNXBMFYSA-N	-1	1	357.366	1.721	20	10		FDCDMM
CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@H](C(=O)[O-])[C@@H](C)O)C1	ZINC001591635919	992947706	/nfs/dbraw/zinc/94/77/06/992947706.db2.gz	VUSWGOVXFIZHGQ-YJYMSZOUSA-N	-1	1	373.453	1.358	20	10		FDCDMM
COc1c([O-])c([C@@H]2NC(=O)[C@@H]3Cc4ccccc4CN23)ccc1[N+](=O)[O-]	ZINC000877866677	993536420	/nfs/dbraw/zinc/53/64/20/993536420.db2.gz	XWTZWBBRVQHMON-WMLDXEAASA-N	-1	1	355.350	1.864	20	10		FDCDMM
CN1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@@H](C(=O)[O-])C1	ZINC001598609401	993738042	/nfs/dbraw/zinc/73/80/42/993738042.db2.gz	CAPIWIFRYSEKRQ-JTQLQIEISA-N	-1	1	350.396	1.401	20	10		FDCDMM
CN1CCN(c2ccc(CNC(=S)NCCCC(=O)[O-])cc2)CC1	ZINC001598624336	994062387	/nfs/dbraw/zinc/06/23/87/994062387.db2.gz	LJQYTYCLDOSIMF-UHFFFAOYSA-N	-1	1	350.488	1.267	20	10		FDCDMM
CCC[C@@H](NC(=O)C=Cc1ccc(N2CCOCC2)cc1)c1nn[n-]n1	ZINC000176781161	525176648	/nfs/dbraw/zinc/17/66/48/525176648.db2.gz	CXIYBBLASYUTQE-YXMGTMDOSA-N	-1	1	356.430	1.707	20	10		FDCDMM
CNC(=O)[C@@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2O)CCO1	ZINC000183170243	535934285	/nfs/dbraw/zinc/93/42/85/535934285.db2.gz	MNVQMRWQRSGLOM-IBGZPJMESA-N	-1	1	356.422	1.918	20	10		FDCDMM
CO[C@H](C(=O)NCc1cccc(Br)c1[O-])c1cnn(C)c1	ZINC000282265768	537294409	/nfs/dbraw/zinc/29/44/09/537294409.db2.gz	JKMJHPWBPOGOMT-ZDUSSCGKSA-N	-1	1	354.204	1.892	20	10		FDCDMM
COc1c([O-])c(CN2CCC(C)(C)S(=O)(=O)CC2)ccc1[N+](=O)[O-]	ZINC000278580112	537339032	/nfs/dbraw/zinc/33/90/32/537339032.db2.gz	DCTZREJPKVVNGU-UHFFFAOYSA-N	-1	1	358.416	1.708	20	10		FDCDMM
CC(C)(C)[C@H](NC(N)=O)C(=O)NCc1cccc(Br)c1[O-]	ZINC000298926161	537374273	/nfs/dbraw/zinc/37/42/73/537374273.db2.gz	MNDPLQWYIHFJFM-LLVKDONJSA-N	-1	1	358.236	1.854	20	10		FDCDMM
CCOC(=O)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(O)cc2C)cn1C	ZINC000288614572	537522797	/nfs/dbraw/zinc/52/27/97/537522797.db2.gz	VEGTZLFRLQHEQD-UHFFFAOYSA-N	-1	1	366.395	1.586	20	10		FDCDMM
COC(=O)c1coc(S(=O)(=O)[N-]Cc2ccc3c(c2)CCN3C)c1	ZINC000372586465	537978769	/nfs/dbraw/zinc/97/87/69/537978769.db2.gz	UADJMPFBJOOHHM-UHFFFAOYSA-N	-1	1	350.396	1.537	20	10		FDCDMM
CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(-c2nnn[n-]2)nc1	ZINC000821589671	599216107	/nfs/dbraw/zinc/21/61/07/599216107.db2.gz	YIZOYAQLUYNNSV-UHFFFAOYSA-N	-1	1	351.370	1.367	20	10		FDCDMM
CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(-c2nn[n-]n2)nc1	ZINC000821589671	599216110	/nfs/dbraw/zinc/21/61/10/599216110.db2.gz	YIZOYAQLUYNNSV-UHFFFAOYSA-N	-1	1	351.370	1.367	20	10		FDCDMM
CN(CC(=O)N1CCOCC1)Cc1c(O)c(C(=O)[O-])cc2ccccc21	ZINC000737388328	600280433	/nfs/dbraw/zinc/28/04/33/600280433.db2.gz	HWOCDKJTBALEPB-UHFFFAOYSA-N	-1	1	358.394	1.534	20	10		FDCDMM
COCCN(Cc1ccnc(-c2nnn[n-]2)c1)c1ccc(OC)c(OC)c1	ZINC000826159559	607521879	/nfs/dbraw/zinc/52/18/79/607521879.db2.gz	JZTMADQBLMSVSN-UHFFFAOYSA-N	-1	1	370.413	1.932	20	10		FDCDMM
COCCN(Cc1ccnc(-c2nn[n-]n2)c1)c1ccc(OC)c(OC)c1	ZINC000826159559	607521880	/nfs/dbraw/zinc/52/18/80/607521880.db2.gz	JZTMADQBLMSVSN-UHFFFAOYSA-N	-1	1	370.413	1.932	20	10		FDCDMM
O=C([O-])CN(Cc1cc(Cl)ccc1O)C[C@@H](O)COC1CCOCC1	ZINC000833249219	601826056	/nfs/dbraw/zinc/82/60/56/601826056.db2.gz	MGOMPPWROQFKSM-CQSZACIVSA-N	-1	1	373.833	1.489	20	10		FDCDMM
CN(C)c1ccc(CNC(=O)CN2CCC[C@H](CN(C)C(=O)[O-])C2)cc1	ZINC000739634860	601851889	/nfs/dbraw/zinc/85/18/89/601851889.db2.gz	BIVFUHCPLCLKLP-MRXNPFEDSA-N	-1	1	362.474	1.691	20	10		FDCDMM
CCN1CCN(c2ccc(CNC(=O)[C@@H](C)CC(=O)[O-])cc2F)CC1	ZINC000829781489	602152245	/nfs/dbraw/zinc/15/22/45/602152245.db2.gz	YGIVBPHDRFNLJF-ZDUSSCGKSA-N	-1	1	351.422	1.695	20	10		FDCDMM
CCCC[C@H](NC(N)=O)C(=O)NCc1cccc(Br)c1[O-]	ZINC000277449260	674945300	/nfs/dbraw/zinc/94/53/00/674945300.db2.gz	FZKPQRTYGMQRHY-NSHDSACASA-N	-1	1	358.236	1.998	20	10		FDCDMM
C[C@@H](O)c1cn(CC(=O)NCc2cccc(Br)c2[O-])nn1	ZINC000277639725	674986220	/nfs/dbraw/zinc/98/62/20/674986220.db2.gz	XYRIDGQUCCGKNA-MRVPVSSYSA-N	-1	1	355.192	1.116	20	10		FDCDMM
C[S@@](=O)C1(CNC(=O)NCc2cccc(Br)c2[O-])CC1	ZINC000282125009	675601645	/nfs/dbraw/zinc/60/16/45/675601645.db2.gz	GOWPLNVWDNLCNP-HXUWFJFHSA-N	-1	1	361.261	1.865	20	10		FDCDMM
COCCN1C(=O)C(=CN[C@@H](C)CCc2ccccc2)C(=O)[N-]C1=S	ZINC000299274894	676524691	/nfs/dbraw/zinc/52/46/91/676524691.db2.gz	XPLXGBBMXUJXBN-UESPBHMZSA-N	-1	1	361.467	1.371	20	10		FDCDMM
CNC(=O)NC[C@@H]1CN(Cc2cc(C)cc(Br)c2[O-])CCO1	ZINC000529640073	694790306	/nfs/dbraw/zinc/79/03/06/694790306.db2.gz	BCTXDPGGYZOMLM-GFCCVEGCSA-N	-1	1	372.263	1.593	20	10		FDCDMM
O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NCc1cccc(Cl)c1[O-]	ZINC000890757204	771585806	/nfs/dbraw/zinc/58/58/06/771585806.db2.gz	KQUBIUZYSJFDLQ-VXGBXAGGSA-N	-1	1	350.802	1.837	20	10		FDCDMM
O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)NCc1cccc(Cl)c1[O-]	ZINC000890757203	771585857	/nfs/dbraw/zinc/58/58/57/771585857.db2.gz	KQUBIUZYSJFDLQ-TXEJJXNPSA-N	-1	1	350.802	1.837	20	10		FDCDMM
Cc1cccc(=O)n1C[C@@](C)(O)C(=O)NCc1cccc(Cl)c1[O-]	ZINC000890759503	771604739	/nfs/dbraw/zinc/60/47/39/771604739.db2.gz	LOZLVSNBQXUELB-QGZVFWFLSA-N	-1	1	350.802	1.583	20	10		FDCDMM
CCOC(=O)[C@@H]1CCCN(CC(=O)NCc2cccc(Cl)c2[O-])C1	ZINC000890762778	771648398	/nfs/dbraw/zinc/64/83/98/771648398.db2.gz	IMDVCHVXSHCEJW-CYBMUJFWSA-N	-1	1	354.834	1.937	20	10		FDCDMM
Cn1nc(Br)cc1C(=O)OCC(=O)c1ccc([O-])c(O)c1	ZINC000784968553	772245933	/nfs/dbraw/zinc/24/59/33/772245933.db2.gz	GMDNOKTXLSIFGE-UHFFFAOYSA-N	-1	1	355.144	1.634	20	10		FDCDMM
O=C(NCc1cccc(Cl)c1[O-])N[C@@H]1CCN(C2CCOCC2)C1=O	ZINC000893399863	800522262	/nfs/dbraw/zinc/52/22/62/800522262.db2.gz	BAECVFGEOIEHNB-CQSZACIVSA-N	-1	1	367.833	1.625	20	10		FDCDMM
O=C(NCc1ccc(N2CCOCC2)cc1)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000919766989	886167562	/nfs/dbraw/zinc/16/75/62/886167562.db2.gz	GDRIFNWDEOOZBI-UHFFFAOYSA-N	-1	1	358.354	1.462	20	10		FDCDMM
NC(=O)C1CCC(NC(=O)NCc2cccc(Br)c2[O-])CC1	ZINC000765526659	907466119	/nfs/dbraw/zinc/46/61/19/907466119.db2.gz	IROGJQHEMUCNSE-UHFFFAOYSA-N	-1	1	370.247	1.998	20	10		FDCDMM
C[C@@H](C(=O)NCc1cccc(Br)c1[O-])N1C(=O)CCC1=O	ZINC000765737129	908475082	/nfs/dbraw/zinc/47/50/82/908475082.db2.gz	QJDZOZNJJZXZNF-QMMMGPOBSA-N	-1	1	355.188	1.308	20	10		FDCDMM
CCOc1cccc(NC(=S)NNc2nc(=O)c3cnn(C)c3[n-]2)c1	ZINC000769791085	929678431	/nfs/dbraw/zinc/67/84/31/929678431.db2.gz	GRMUKRBVWVGNQS-UHFFFAOYSA-N	-1	1	359.415	1.781	20	10		FDCDMM
CCOc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(-n2cnnn2)cc1	ZINC000790411317	933527052	/nfs/dbraw/zinc/52/70/52/933527052.db2.gz	JXURFMVPEFPJQK-UHFFFAOYSA-N	-1	1	361.383	1.567	20	10		FDCDMM
O=C(NCc1cc(Cl)cc(Cl)c1O)c1c[n-]n2c1nccc2=O	ZINC000813683281	941440756	/nfs/dbraw/zinc/44/07/56/941440756.db2.gz	IIZTYCIFSGCJSB-UHFFFAOYSA-N	-1	1	353.165	1.965	20	10		FDCDMM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2ncc(CCO)s2)c1	ZINC000816635899	942281717	/nfs/dbraw/zinc/28/17/17/942281717.db2.gz	YFXXQQXXLSCYJB-UHFFFAOYSA-N	-1	1	357.413	1.007	20	10		FDCDMM
CCn1cc(S(=O)(=O)[N-]Cc2cc(Cl)ccc2O)c([N+](=O)[O-])n1	ZINC000845996256	950359755	/nfs/dbraw/zinc/35/97/55/950359755.db2.gz	NNBWDIOSRPWDRR-UHFFFAOYSA-N	-1	1	360.779	1.649	20	10		FDCDMM
COc1ccc(C(=O)NCC(=O)c2ccc([O-])c(O)c2)c(OC)c1OC	ZINC001148843329	952800731	/nfs/dbraw/zinc/80/07/31/952800731.db2.gz	FLSIRSHZCFLOKA-UHFFFAOYSA-N	-1	1	361.350	1.736	20	10		FDCDMM
Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)N3CC[C@](C)(O)C3)cc12	ZINC001184356933	963540529	/nfs/dbraw/zinc/54/05/29/963540529.db2.gz	QDVITHXCFVGDPP-IBGZPJMESA-N	-1	1	360.410	1.222	20	10		FDCDMM
Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)NCc3cccn3C)cc12	ZINC001184362321	963542998	/nfs/dbraw/zinc/54/29/98/963542998.db2.gz	PSNWNJXAWJUJOE-UHFFFAOYSA-N	-1	1	369.421	1.894	20	10		FDCDMM
COc1c([O-])c(CN2CCO[C@H](C(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-]	ZINC000774901363	963995108	/nfs/dbraw/zinc/99/51/08/963995108.db2.gz	CZKBGIASBCLHRS-ZDUSSCGKSA-N	-1	1	368.386	1.852	20	10		FDCDMM
CCNC(=O)CO[C@@H]1CCCN(C(=O)c2ccc(O)c([O-])c2Cl)C1	ZINC001193232135	969562336	/nfs/dbraw/zinc/56/23/36/969562336.db2.gz	FGADLGNQXNZWDU-SNVBAGLBSA-N	-1	1	356.806	1.509	20	10		FDCDMM
O=C(N[C@]12C[C@H]1CN(C(=O)c1ccco1)C2)c1ccc(O)c([O-])c1Cl	ZINC001193236510	969565490	/nfs/dbraw/zinc/56/54/90/969565490.db2.gz	GBLKSJPELFINPX-XYZCENFISA-N	-1	1	362.769	1.989	20	10		FDCDMM
COC[C@H]1CN(C(=O)c2ccc(O)c([O-])c2Cl)Cc2cn(C)nc21	ZINC001193225478	969594304	/nfs/dbraw/zinc/59/43/04/969594304.db2.gz	NNBUCAMBXRVTCJ-SNVBAGLBSA-N	-1	1	351.790	1.871	20	10		FDCDMM
COc1ccc(N2CC[C@@H]([N-]S(=O)(=O)c3ncn(C)c3Cl)C2)cc1	ZINC000849416534	977541661	/nfs/dbraw/zinc/54/16/61/977541661.db2.gz	RYZOBWVFFDSBRF-LLVKDONJSA-N	-1	1	370.862	1.639	20	10		FDCDMM
C[C@H](NC(=O)NCc1nc2c(c(=O)[n-]1)COCC2)c1ccc(N(C)C)cc1	ZINC000868514846	977730956	/nfs/dbraw/zinc/73/09/56/977730956.db2.gz	FEEGLTYYYYDTAV-LBPRGKRZSA-N	-1	1	371.441	1.881	20	10		FDCDMM
CO[C@](C)(C(=O)OCC(=O)c1ccc([O-])c(O)c1)C(=O)OC(C)(C)C	ZINC000850123486	978182103	/nfs/dbraw/zinc/18/21/03/978182103.db2.gz	GYRNTQJPDGILOO-QGZVFWFLSA-N	-1	1	354.355	1.571	20	10		FDCDMM
COC(=O)c1oc(S(=O)(=O)[N-]Cc2cc(OC)ccc2O)cc1C	ZINC000851766186	979038109	/nfs/dbraw/zinc/03/81/09/979038109.db2.gz	WASZCWVHFCVNMW-UHFFFAOYSA-N	-1	1	355.368	1.567	20	10		FDCDMM
COC(=O)c1oc(S(=O)(=O)[N-]Cc2ccc(OC)cc2O)cc1C	ZINC000851787111	979048302	/nfs/dbraw/zinc/04/83/02/979048302.db2.gz	OHVPIKSZDLMTRH-UHFFFAOYSA-N	-1	1	355.368	1.567	20	10		FDCDMM
Cc1ncc(S(=O)(=O)NCc2cccc(Br)c2[O-])n1C	ZINC000859135002	982564725	/nfs/dbraw/zinc/56/47/25/982564725.db2.gz	QNIGVBOAQACDOA-UHFFFAOYSA-N	-1	1	360.233	1.675	20	10		FDCDMM
Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)cc1	ZINC000370891609	990097903	/nfs/dbraw/zinc/09/79/03/990097903.db2.gz	KTSNKTCBWUHVAD-INIZCTEOSA-N	-1	1	352.398	1.821	20	10		FDCDMM
CN(C)C(=O)Cn1ccc(NC(=O)NCc2cccc(Cl)c2[O-])n1	ZINC000930105866	1002821157	/nfs/dbraw/zinc/82/11/57/1002821157.db2.gz	SDYWJRZZUCZUSY-UHFFFAOYSA-N	-1	1	351.794	1.652	20	10		FDCDMM
CC(=O)N1CCO[C@@H](C(=O)NCc2cccc(Br)c2[O-])C1	ZINC000935662777	1005953347	/nfs/dbraw/zinc/95/33/47/1005953347.db2.gz	KDFJCLVOZDYSFQ-GFCCVEGCSA-N	-1	1	357.204	1.018	20	10		FDCDMM
CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1ccc(O)c(C(=O)[O-])c1	ZINC000778564617	1006478272	/nfs/dbraw/zinc/47/82/72/1006478272.db2.gz	DXJOSBRWJJZWKW-UHFFFAOYSA-N	-1	1	369.351	1.833	20	10		FDCDMM
COCCN1C(=O)C(=CNc2cccc(SC)c2)C(=O)[N-]C1=S	ZINC000060861075	522420632	/nfs/dbraw/zinc/42/06/32/522420632.db2.gz	QNYDBDQNUAKBAG-XFXZXTDPSA-N	-1	1	351.453	1.594	20	10		FDCDMM
C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)c1c(F)ccc(O)c1[O-]	ZINC000276614016	537593478	/nfs/dbraw/zinc/59/34/78/537593478.db2.gz	PZVSPZFJXOCWML-ZDUSSCGKSA-N	-1	1	374.416	1.572	20	10		FDCDMM
COC(=O)C=Cc1ccc(N2CCC(c3n[n-]c(=O)o3)CC2)c([N+](=O)[O-])c1	ZINC000285730225	537751948	/nfs/dbraw/zinc/75/19/48/537751948.db2.gz	STFSSCKSSFTXJV-HWKANZROSA-N	-1	1	374.353	1.841	20	10		FDCDMM
CCN(CCCNC(=O)NCc1cccc(Cl)c1[O-])S(C)(=O)=O	ZINC000892200634	782174141	/nfs/dbraw/zinc/17/41/41/782174141.db2.gz	HRGPVNDRWIYHAU-UHFFFAOYSA-N	-1	1	363.867	1.516	20	10		FDCDMM
C[C@@H](NC(=O)[O-])[C@H]1CCCN(CC(=O)NCc2ccc(N(C)C)cc2)C1	ZINC000825267578	604257711	/nfs/dbraw/zinc/25/77/11/604257711.db2.gz	ZGBOCXXLWFGWGQ-ZBFHGGJFSA-N	-1	1	362.474	1.737	20	10		FDCDMM
C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)c1ccc(N2CCOCC2)cc1	ZINC000824658630	608404424	/nfs/dbraw/zinc/40/44/24/608404424.db2.gz	YXSPYKSBASEBMP-GFCCVEGCSA-N	-1	1	352.402	1.666	20	10		FDCDMM
C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)c1ccc(N2CCOCC2)cc1	ZINC000824658630	608404425	/nfs/dbraw/zinc/40/44/25/608404425.db2.gz	YXSPYKSBASEBMP-GFCCVEGCSA-N	-1	1	352.402	1.666	20	10		FDCDMM
C[C@H](CS(C)(=O)=O)NC(=O)NCc1cccc(Br)c1[O-]	ZINC000277574732	674970568	/nfs/dbraw/zinc/97/05/68/674970568.db2.gz	RWPQJHZGHYBGJF-MRVPVSSYSA-N	-1	1	365.249	1.387	20	10		FDCDMM
Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(NS(C)(=O)=O)cc1	ZINC000324936168	676572546	/nfs/dbraw/zinc/57/25/46/676572546.db2.gz	WFAMFLRDICXGJR-UHFFFAOYSA-N	-1	1	374.396	1.459	20	10		FDCDMM
Cc1ccn(C[C@@](C)(O)C(=O)NCc2cccc(Cl)c2[O-])c(=O)c1	ZINC000890759048	771602653	/nfs/dbraw/zinc/60/26/53/771602653.db2.gz	ASSXVFXTRPZNRX-QGZVFWFLSA-N	-1	1	350.802	1.583	20	10		FDCDMM
Cn1cc(-c2nc([C@H]3COCCN3Cc3cccc(F)c3[O-])no2)cn1	ZINC000378560272	794320062	/nfs/dbraw/zinc/32/00/62/794320062.db2.gz	RPHLWRPZWQPLIB-CQSZACIVSA-N	-1	1	359.361	1.888	20	10		FDCDMM
CNC(=O)c1cccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1	ZINC000760123823	828669734	/nfs/dbraw/zinc/66/97/34/828669734.db2.gz	RTOIGCFFPXVRML-UHFFFAOYSA-N	-1	1	363.395	1.376	20	10		FDCDMM
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)NCc1ccc(N2CCN(C)CC2)cc1	ZINC000899836455	846745989	/nfs/dbraw/zinc/74/59/89/846745989.db2.gz	VMYNDAOZNGOJMT-XLIONFOSSA-N	-1	1	359.470	1.802	20	10		FDCDMM
COCCN1C(=O)C(=CNc2cc(-c3ccccc3)[nH]n2)C(=O)[N-]C1=S	ZINC000920980027	887363543	/nfs/dbraw/zinc/36/35/43/887363543.db2.gz	SSBMFAPPJPXQQC-ZRDIBKRKSA-N	-1	1	371.422	1.262	20	10		FDCDMM
O=C(CCCN1C(=O)CNC1=O)NCc1cccc(Br)c1[O-]	ZINC000765771247	909449604	/nfs/dbraw/zinc/44/96/04/909449604.db2.gz	XBFYYAZBJSKMEB-UHFFFAOYSA-N	-1	1	370.203	1.103	20	10		FDCDMM
Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000743259741	926303975	/nfs/dbraw/zinc/30/39/75/926303975.db2.gz	MWTIFYQEFXAOGI-UHFFFAOYSA-N	-1	1	370.452	1.752	20	10		FDCDMM
O=C(NC[C@H](O)COc1ccc(F)c(F)c1)c1c(F)ccc(O)c1[O-]	ZINC000789995609	933293117	/nfs/dbraw/zinc/29/31/17/933293117.db2.gz	IZYQUVCBDAGKDY-QMMMGPOBSA-N	-1	1	357.284	1.685	20	10		FDCDMM
O=C(Cn1ccc2ccccc2c1=O)OCC(=O)c1ccc([O-])c(O)c1	ZINC000790725345	933715423	/nfs/dbraw/zinc/71/54/23/933715423.db2.gz	FSUCHTLKAKTLQE-UHFFFAOYSA-N	-1	1	353.330	1.839	20	10		FDCDMM
CCN(CC)c1ccc(CNC(=O)CNC(=O)c2ncccc2[O-])cc1F	ZINC001144977914	951712717	/nfs/dbraw/zinc/71/27/17/951712717.db2.gz	NSDMKIVPDWBPIQ-UHFFFAOYSA-N	-1	1	374.416	1.819	20	10		FDCDMM
COc1ccc(CN[C@H](C(=O)[O-])c2ccnn2C)cc1Cn1cccn1	ZINC001352081310	962626211	/nfs/dbraw/zinc/62/62/11/962626211.db2.gz	NASJCPLKJNXAIX-KRWDZBQOSA-N	-1	1	355.398	1.589	20	10		FDCDMM
Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)NCC(F)(F)F)cc12	ZINC001184354544	963558493	/nfs/dbraw/zinc/55/84/93/963558493.db2.gz	GOAPMVHABHZLNV-UHFFFAOYSA-N	-1	1	358.316	1.917	20	10		FDCDMM
COc1cc2[n-]cc(C(=O)NCc3c(O)cccc3O)c(=O)c2c(OC)c1	ZINC001178917843	964559500	/nfs/dbraw/zinc/55/95/00/964559500.db2.gz	VDGLTEZAYPKFDW-UHFFFAOYSA-N	-1	1	370.361	1.887	20	10		FDCDMM
COC(=O)[C@@H](NCc1ccc([N+](=O)[O-])c(OC)c1[O-])c1ccn(C)n1	ZINC000775101211	965084135	/nfs/dbraw/zinc/08/41/35/965084135.db2.gz	JVCVGWNOLGKRRJ-LBPRGKRZSA-N	-1	1	350.331	1.046	20	10		FDCDMM
C[S@](=O)(=NS(=O)(=O)[N-]Cc1ccc(O)cc1O)c1ccccc1	ZINC001191530011	968570167	/nfs/dbraw/zinc/57/01/67/968570167.db2.gz	HCCWEINGNVUJJL-JOCHJYFZSA-N	-1	1	356.425	1.589	20	10		FDCDMM
CCOC(=O)C(=CNC(=O)c1ccc(O)c([O-])c1Cl)C(=O)OCC	ZINC001193236663	969565446	/nfs/dbraw/zinc/56/54/46/969565446.db2.gz	LTSABUYTPWVTJC-UHFFFAOYSA-N	-1	1	357.746	1.491	20	10		FDCDMM
COc1ccc(S(=O)(=O)NCC(=O)c2ccc([O-])c(O)c2)c(C)c1	ZINC001198964652	973752627	/nfs/dbraw/zinc/75/26/27/973752627.db2.gz	AAUADXXKMOPXGI-UHFFFAOYSA-N	-1	1	351.380	1.576	20	10		FDCDMM
O=C(CNC(=O)c1cnn(CC2CCOCC2)c1)c1ccc([O-])c(O)c1	ZINC001199568594	974375232	/nfs/dbraw/zinc/37/52/32/974375232.db2.gz	HRYFFMBFUODPLT-UHFFFAOYSA-N	-1	1	359.382	1.334	20	10		FDCDMM
COc1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cc1O	ZINC000794903661	975421034	/nfs/dbraw/zinc/42/10/34/975421034.db2.gz	GFTIVIDPGLPTGP-UHFFFAOYSA-N	-1	1	352.368	1.730	20	10		FDCDMM
O=C(COC(=O)[C@]1(c2ccccc2)CCC(=O)NC1)c1ccc([O-])c(O)c1	ZINC000848784578	977100404	/nfs/dbraw/zinc/10/04/04/977100404.db2.gz	APWQGUPGYRDVMW-HXUWFJFHSA-N	-1	1	369.373	1.672	20	10		FDCDMM
COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1ccc(O)cc1C(=O)[O-]	ZINC000776434691	978748805	/nfs/dbraw/zinc/74/88/05/978748805.db2.gz	JXQSFMDKFGCJBP-UHFFFAOYSA-N	-1	1	369.326	1.817	20	10		FDCDMM
C[C@H]1COCC[C@H]1S(=O)(=O)NCc1cccc(Br)c1[O-]	ZINC000882131678	980439463	/nfs/dbraw/zinc/43/94/63/980439463.db2.gz	KAMXLHATAACDAT-JOYOIKCWSA-N	-1	1	364.261	1.999	20	10		FDCDMM
CN1CCN(c2ccc(CNC(=O)Cc3cccc(C(=O)[O-])c3)cc2)CC1	ZINC001598622466	994025186	/nfs/dbraw/zinc/02/51/86/994025186.db2.gz	KTWSWGRAXSWBHS-UHFFFAOYSA-N	-1	1	367.449	1.996	20	10		FDCDMM
COc1cc(Br)cc(CN2C[C@H](O)C[C@@H](C(=O)[O-])C2)c1O	ZINC001599346337	998013212	/nfs/dbraw/zinc/01/32/12/998013212.db2.gz	FYBNKGCGIQIOAX-MWLCHTKSSA-N	-1	1	360.204	1.431	20	10		FDCDMM
Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)NCc1ccc(O)c(O)c1	ZINC000778916371	1006999982	/nfs/dbraw/zinc/99/99/82/1006999982.db2.gz	FZTVWKLNGOOJJB-UHFFFAOYSA-N	-1	1	366.377	1.410	20	10		FDCDMM
COC(=O)c1coc(S(=O)(=O)[N-]Cc2ccc(N(C)C)c(F)c2)c1	ZINC000152428621	524881506	/nfs/dbraw/zinc/88/15/06/524881506.db2.gz	SLKVOEOOYXQZMK-UHFFFAOYSA-N	-1	1	356.375	1.750	20	10		FDCDMM
Cc1cc(Br)cc(C[N@@H+](C)CC(=O)N2CCOCC2)c1O	ZINC000179586805	525602738	/nfs/dbraw/zinc/60/27/38/525602738.db2.gz	XGIRWOLBKGIQHL-UHFFFAOYSA-N	-1	1	357.248	1.754	20	10		FDCDMM
CC(=O)N1CCN(c2ccc(CNC(=O)c3ncccc3[O-])cc2)CC1	ZINC000190226551	537154598	/nfs/dbraw/zinc/15/45/98/537154598.db2.gz	NDVMSNYXDLNNJB-UHFFFAOYSA-N	-1	1	354.410	1.386	20	10		FDCDMM
COc1c([O-])c(CN2CCN(C(=O)c3ccccn3)CC2)ccc1[N+](=O)[O-]	ZINC000278294448	537294186	/nfs/dbraw/zinc/29/41/86/537294186.db2.gz	VDXMPLIYFANANX-UHFFFAOYSA-N	-1	1	372.381	1.662	20	10		FDCDMM
CCN1CCN(c2ccc(CNC(=O)CCNC(=O)[O-])cc2F)CC1	ZINC000737121589	602727522	/nfs/dbraw/zinc/72/75/22/602727522.db2.gz	DGXTXNJLGNUKOF-UHFFFAOYSA-N	-1	1	352.410	1.242	20	10		FDCDMM
CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@@H]2CN(C)C(=O)[O-])cc1	ZINC000828217832	604091268	/nfs/dbraw/zinc/09/12/68/604091268.db2.gz	AUZFJHOEXNCKJZ-QGZVFWFLSA-N	-1	1	362.474	1.785	20	10		FDCDMM
C[C@@H]1OCC[C@@H]1S(=O)(=O)NCc1cccc(Br)c1[O-]	ZINC000277486286	674952718	/nfs/dbraw/zinc/95/27/18/674952718.db2.gz	MYOJPTGCGMKTCR-KWQFWETISA-N	-1	1	350.234	1.752	20	10		FDCDMM
CCN(Cc1ccc([N+](=O)[O-])c(OC)c1[O-])[C@@H](C)CS(=O)(=O)CC	ZINC000278286703	675117546	/nfs/dbraw/zinc/11/75/46/675117546.db2.gz	UKNSKMMKLCRLKX-NSHDSACASA-N	-1	1	360.432	1.954	20	10		FDCDMM
CC(=O)OCCCS(=O)(=O)NCc1cccc(Br)c1[O-]	ZINC000287128777	675912598	/nfs/dbraw/zinc/91/25/98/675912598.db2.gz	AUFJGXLJZWYPSO-UHFFFAOYSA-N	-1	1	366.233	1.527	20	10		FDCDMM
C[N-]S(=O)(=O)c1ccc(C(=O)NCc2ccc(N(C)C)cc2C)o1	ZINC000115489576	671653180	/nfs/dbraw/zinc/65/31/80/671653180.db2.gz	ALXWBGAOAPCSSS-UHFFFAOYSA-N	-1	1	351.428	1.492	20	10		FDCDMM
CN(Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H]1CCN(S(C)(=O)=O)C1	ZINC000292750939	676310206	/nfs/dbraw/zinc/31/02/06/676310206.db2.gz	IKFXIGBCXQVFDD-LLVKDONJSA-N	-1	1	363.823	1.420	20	10		FDCDMM
CCOC(Cn1cc(C(=O)NCc2cccc(Cl)c2[O-])nn1)OCC	ZINC000890757491	771586531	/nfs/dbraw/zinc/58/65/31/771586531.db2.gz	FMNYPXHEKARYHI-UHFFFAOYSA-N	-1	1	368.821	1.966	20	10		FDCDMM
CS(=O)(=O)N1CCC(CC(=O)NCc2cccc(Cl)c2[O-])CC1	ZINC000890761266	771606725	/nfs/dbraw/zinc/60/67/25/771606725.db2.gz	OGBRENWGIVRSKM-UHFFFAOYSA-N	-1	1	360.863	1.724	20	10		FDCDMM
O=C(NCc1cccc(Cl)c1[O-])[C@@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F	ZINC000890761083	771613815	/nfs/dbraw/zinc/61/38/15/771613815.db2.gz	KKZHHOFZLIVMAR-BDAKNGLRSA-N	-1	1	371.764	1.885	20	10		FDCDMM
COCc1nc(NCc2ccc(N3CCN(C(C)=O)CC3)cc2)cc(=O)[n-]1	ZINC000893402905	800826959	/nfs/dbraw/zinc/82/69/59/800826959.db2.gz	UWUVYBCZVDXORW-UHFFFAOYSA-N	-1	1	371.441	1.609	20	10		FDCDMM
O=C([O-])/C=C\c1ccc(N2CCC(N3CCOCC3)CC2)c([N+](=O)[O-])c1	ZINC000910358495	857102675	/nfs/dbraw/zinc/10/26/75/857102675.db2.gz	YECHGSWDCOYDCX-RQOWECAXSA-N	-1	1	361.398	1.994	20	10		FDCDMM
Cn1nc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c2ccccc2c1=O	ZINC000916590762	881787514	/nfs/dbraw/zinc/78/75/14/881787514.db2.gz	MWTZYELYNSVBSM-UHFFFAOYSA-N	-1	1	354.318	1.384	20	10		FDCDMM
COCCN1C(=O)C(=CNc2cccc(Cl)c2F)C(=O)[N-]C1=S	ZINC000920980145	887364103	/nfs/dbraw/zinc/36/41/03/887364103.db2.gz	ZANNJEGETWHKFB-BQYQJAHWSA-N	-1	1	357.794	1.665	20	10		FDCDMM
Cn1ccc(NC(=O)C(=O)NCc2cccc(Br)c2[O-])n1	ZINC000765904363	897277083	/nfs/dbraw/zinc/27/70/83/897277083.db2.gz	RYHUXUNJBQOQFE-UHFFFAOYSA-N	-1	1	353.176	1.143	20	10		FDCDMM
Cn1cc(C(N)=O)cc1C(=O)NCc1cccc(Br)c1[O-]	ZINC000765730330	908366019	/nfs/dbraw/zinc/36/60/19/908366019.db2.gz	TYYHNHLDXMUSAH-UHFFFAOYSA-N	-1	1	352.188	1.522	20	10		FDCDMM
NC(=O)c1ccc(C(=O)NCc2cccc(Br)c2[O-])nc1	ZINC000765764075	909145180	/nfs/dbraw/zinc/14/51/80/909145180.db2.gz	HEFGLJGZYZUBDV-UHFFFAOYSA-N	-1	1	350.172	1.579	20	10		FDCDMM
Cc1cc(C(=O)N2CCOC[C@@H]2c2nn[n-]n2)c(C)n1-c1ccc(F)cc1	ZINC000737234853	924983242	/nfs/dbraw/zinc/98/32/42/924983242.db2.gz	RSPZAUUZSWTNOU-MRXNPFEDSA-N	-1	1	370.388	1.960	20	10		FDCDMM
CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C)cc1	ZINC000740700787	925426129	/nfs/dbraw/zinc/42/61/29/925426129.db2.gz	IHFMDZIHSCXTEL-UHFFFAOYSA-N	-1	1	356.425	1.410	20	10		FDCDMM
O=C(c1ccc(F)cc1)N1CCN(C(=O)c2c([O-])c(O)ccc2F)CC1	ZINC000789954199	933266516	/nfs/dbraw/zinc/26/65/16/933266516.db2.gz	FTQSEZFBKLRJJT-UHFFFAOYSA-N	-1	1	362.332	1.974	20	10		FDCDMM
COc1ccc2c(c1)CCN2C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000746892569	933468415	/nfs/dbraw/zinc/46/84/15/933468415.db2.gz	VLJKAALBUBUGDG-UHFFFAOYSA-N	-1	1	362.407	1.975	20	10		FDCDMM
CC(=O)C(=O)COC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1	ZINC000808487366	940551659	/nfs/dbraw/zinc/55/16/59/940551659.db2.gz	HWFHHRDGLGMERJ-UHFFFAOYSA-N	-1	1	361.375	1.802	20	10		FDCDMM
CN(C)S(=O)(=O)N1CCCN(Cc2cc(Cl)cc(F)c2[O-])CC1	ZINC000811516022	941137771	/nfs/dbraw/zinc/13/77/71/941137771.db2.gz	BPQHOBPLTZPIBM-UHFFFAOYSA-N	-1	1	365.858	1.499	20	10		FDCDMM
CNC(=O)[C@H]1CC[N@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C1	ZINC000817370559	942724284	/nfs/dbraw/zinc/72/42/84/942724284.db2.gz	LTFOQHIBQSATDD-AWEZNQCLSA-N	-1	1	354.406	1.897	20	10		FDCDMM
CNC(=O)[C@H]1CC[N@@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C1	ZINC000817370559	942724286	/nfs/dbraw/zinc/72/42/86/942724286.db2.gz	LTFOQHIBQSATDD-AWEZNQCLSA-N	-1	1	354.406	1.897	20	10		FDCDMM
COc1ccc(N2CC[C@H](C[N-]S(=O)(=O)c3c(N)noc3C)C2)cc1	ZINC000819888333	943774354	/nfs/dbraw/zinc/77/43/54/943774354.db2.gz	VCFIOHQGWAGOEO-GFCCVEGCSA-N	-1	1	366.443	1.379	20	10		FDCDMM
COC(=O)c1cc(O)ccc1NS(=O)(=O)c1cc(F)cc(F)c1[O-]	ZINC000821191875	944363377	/nfs/dbraw/zinc/36/33/77/944363377.db2.gz	QCFDJGQISMGSRM-UHFFFAOYSA-N	-1	1	359.306	1.963	20	10		FDCDMM
O=C(c1c([O-])c(O)ccc1F)N1CCN(C(=O)N2CCCCC2)CC1	ZINC000824032018	946157899	/nfs/dbraw/zinc/15/78/99/946157899.db2.gz	JIUUCQWDLQDSCC-UHFFFAOYSA-N	-1	1	351.378	1.601	20	10		FDCDMM
CCc1noc(C[C@]2(O)CCCN(C(=O)c3c(F)ccc(O)c3[O-])C2)n1	ZINC000856714897	971342654	/nfs/dbraw/zinc/34/26/54/971342654.db2.gz	AVNBCMYPKSNRER-QGZVFWFLSA-N	-1	1	365.361	1.392	20	10		FDCDMM
CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)c1ccc([O-])c(O)c1	ZINC001145048181	951782213	/nfs/dbraw/zinc/78/22/13/951782213.db2.gz	VDJZOZOEQTZDFN-HNNXBMFYSA-N	-1	1	366.414	1.946	20	10		FDCDMM
Cc1cc(C(=O)N2CCSC[C@H]2c2nn[n-]n2)c(C)n1-c1ccccn1	ZINC000773161006	957762503	/nfs/dbraw/zinc/76/25/03/957762503.db2.gz	JUWDNAAABCDLKL-AWEZNQCLSA-N	-1	1	369.454	1.933	20	10		FDCDMM
Cc1ncnn1-c1ccc(C(=O)NCC(=O)c2ccc([O-])c(O)c2)cc1	ZINC001197756214	972418028	/nfs/dbraw/zinc/41/80/28/972418028.db2.gz	BDDFPMJYNKHMIT-UHFFFAOYSA-N	-1	1	352.350	1.600	20	10		FDCDMM
COC(=O)[C@@H](COC(C)C)N(C)Cc1ccc([N+](=O)[O-])c(OC)c1[O-]	ZINC000774911736	964041200	/nfs/dbraw/zinc/04/12/00/964041200.db2.gz	JLVKYONXBZQVPE-CYBMUJFWSA-N	-1	1	356.375	1.707	20	10		FDCDMM
O=C(CNS(=O)(=O)c1ccc(F)cc1)NCc1cccc(Cl)c1[O-]	ZINC001180410873	965317388	/nfs/dbraw/zinc/31/73/88/965317388.db2.gz	UDTAWEUKCSGFFG-UHFFFAOYSA-N	-1	1	372.805	1.779	20	10		FDCDMM
O=C(CNC(=O)c1ncn(-c2cccc(F)c2)n1)c1ccc([O-])c(O)c1	ZINC001193760553	969860573	/nfs/dbraw/zinc/86/05/73/969860573.db2.gz	KHESWADVLIICIG-UHFFFAOYSA-N	-1	1	356.313	1.430	20	10		FDCDMM
COCCn1cc(C(=O)NCc2cccc(Br)c2[O-])cn1	ZINC000867831379	976957611	/nfs/dbraw/zinc/95/76/11/976957611.db2.gz	XQZHKBYZMSHGSD-UHFFFAOYSA-N	-1	1	354.204	1.928	20	10		FDCDMM
Cc1onc(CC(=O)NCc2ccc3c(c2)CCCN3C)c1-c1nnn[n-]1	ZINC000826348051	982445830	/nfs/dbraw/zinc/44/58/30/982445830.db2.gz	RHFBJUJCJVGMCN-UHFFFAOYSA-N	-1	1	367.413	1.404	20	10		FDCDMM
Cc1onc(CC(=O)NCc2ccc3c(c2)CCCN3C)c1-c1nn[n-]n1	ZINC000826348051	982445833	/nfs/dbraw/zinc/44/58/33/982445833.db2.gz	RHFBJUJCJVGMCN-UHFFFAOYSA-N	-1	1	367.413	1.404	20	10		FDCDMM
CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@@H+]2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)c1	ZINC001589267643	985947804	/nfs/dbraw/zinc/94/78/04/985947804.db2.gz	GOPBPSNMLHMAEL-PIIMJCKOSA-N	-1	1	374.437	1.189	20	10		FDCDMM
O=C(c1c(F)ccc(O)c1[O-])N1CCN(Cc2nccn2C(F)F)CC1	ZINC000825574748	987450727	/nfs/dbraw/zinc/45/07/27/987450727.db2.gz	BVGXGZMZCLDARH-UHFFFAOYSA-N	-1	1	370.331	1.787	20	10		FDCDMM
CCn1nccc1C=C(Cl)c1nc2c(c(=O)[nH]1)=C(C)C(C(=O)[O-])=S=2	ZINC001597962630	989992467	/nfs/dbraw/zinc/99/24/67/989992467.db2.gz	OMTDRDCFHITLQW-TWGQIWQCSA-N	-1	1	364.814	1.561	20	10		FDCDMM
CC(=O)N1CCO[C@H](C(=O)NCc2cccc(Br)c2[O-])C1	ZINC000935662778	1005953449	/nfs/dbraw/zinc/95/34/49/1005953449.db2.gz	KDFJCLVOZDYSFQ-LBPRGKRZSA-N	-1	1	357.204	1.018	20	10		FDCDMM
C[N-]S(=O)(=O)c1cc(C(=O)N(C)Cc2ccc(N(C)C)cc2)co1	ZINC000160731687	524961157	/nfs/dbraw/zinc/96/11/57/524961157.db2.gz	LCMXFRDQDMPUCD-UHFFFAOYSA-N	-1	1	351.428	1.526	20	10		FDCDMM
CC(=O)c1cc(Cl)cc(CN2CCN(S(C)(=O)=O)[C@@H](C)C2)c1[O-]	ZINC000181578060	525876337	/nfs/dbraw/zinc/87/63/37/525876337.db2.gz	JOEFCXIAOGZIFA-JTQLQIEISA-N	-1	1	360.863	1.714	20	10		FDCDMM
CNC(=O)CN1CCCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1	ZINC000367422901	537958090	/nfs/dbraw/zinc/95/80/90/537958090.db2.gz	OCPPJIYBKYVTQQ-UHFFFAOYSA-N	-1	1	356.810	1.208	20	10		FDCDMM
CC(=O)NCC[N@@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H](C)C(=O)[O-]	ZINC000819770161	597703870	/nfs/dbraw/zinc/70/38/70/597703870.db2.gz	IOAMBLIIHHFTQF-QMMMGPOBSA-N	-1	1	359.766	1.365	20	10		FDCDMM
CCN1CCN(c2ccc(CNC(=O)C[C@H](C)NC(=O)[O-])cc2F)CC1	ZINC000827228585	602876315	/nfs/dbraw/zinc/87/63/15/602876315.db2.gz	PVWNGZCKFQWULL-ZDUSSCGKSA-N	-1	1	366.437	1.630	20	10		FDCDMM
COc1ccc(N2CCN(c3nccnc3-c3nnn[n-]3)CC2)cc1F	ZINC000821831717	606633905	/nfs/dbraw/zinc/63/39/05/606633905.db2.gz	KJOSPUUPCRSCCI-UHFFFAOYSA-N	-1	1	356.365	1.131	20	10		FDCDMM
COc1ccc(N2CCN(c3nccnc3-c3nn[n-]n3)CC2)cc1F	ZINC000821831717	606633906	/nfs/dbraw/zinc/63/39/06/606633906.db2.gz	KJOSPUUPCRSCCI-UHFFFAOYSA-N	-1	1	356.365	1.131	20	10		FDCDMM
COCCN1C[C@@H](C(=O)NCc2cccc(Br)c2[O-])CC1=O	ZINC000277432082	674941470	/nfs/dbraw/zinc/94/14/70/674941470.db2.gz	DRUALCXZYSTGFZ-NSHDSACASA-N	-1	1	371.231	1.266	20	10		FDCDMM
COC(=O)[C@H](C)CS(=O)(=O)NCc1cccc(Br)c1[O-]	ZINC000277508009	674957204	/nfs/dbraw/zinc/95/72/04/674957204.db2.gz	QNWBTQSAGWMRCX-MRVPVSSYSA-N	-1	1	366.233	1.383	20	10		FDCDMM
CC(=O)c1cc(Cl)cc(CN(C)[C@H]2CCN(S(C)(=O)=O)C2)c1[O-]	ZINC000292089280	676282846	/nfs/dbraw/zinc/28/28/46/676282846.db2.gz	FHPSQPSBBRPLNW-ZDUSSCGKSA-N	-1	1	360.863	1.714	20	10		FDCDMM
O=[N+]([O-])c1cc(Cl)cc(CN2CCC[C@@H](n3cc(CO)nn3)C2)c1[O-]	ZINC000293698862	676360953	/nfs/dbraw/zinc/36/09/53/676360953.db2.gz	RJNWQHSVVBCZMD-CYBMUJFWSA-N	-1	1	367.793	1.875	20	10		FDCDMM
CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)c(F)c1	ZINC000326787015	676585642	/nfs/dbraw/zinc/58/56/42/676585642.db2.gz	WBLJEFWSCJQQLU-UHFFFAOYSA-N	-1	1	368.342	1.989	20	10		FDCDMM
COCCC(=O)N1CCC(NC(=O)NCc2cccc(Cl)c2[O-])CC1	ZINC000893739459	809691961	/nfs/dbraw/zinc/69/19/61/809691961.db2.gz	AZBJOJJZEUNEMC-UHFFFAOYSA-N	-1	1	369.849	1.872	20	10		FDCDMM
CC(C)[C@@H](C(=O)OCC(=O)c1ccc([O-])c(O)c1)N1C[C@@H](C)O[C@H](C)C1	ZINC000783781564	833632440	/nfs/dbraw/zinc/63/24/40/833632440.db2.gz	YQRKJACULMSZMM-VFVRVIDISA-N	-1	1	365.426	1.958	20	10		FDCDMM
Cc1cc(CC(=O)N2CCOC[C@@H]2c2nn[n-]n2)c(C)n1-c1ccccc1	ZINC000913499961	862278501	/nfs/dbraw/zinc/27/85/01/862278501.db2.gz	TYNWFVDCJVKIMH-QGZVFWFLSA-N	-1	1	366.425	1.750	20	10		FDCDMM
Cc1nn(C)c2nc(C)cc(C(=O)Nc3n[n-]c(C4=S=CC=C4)n3)c12	ZINC000917128033	883116872	/nfs/dbraw/zinc/11/68/72/883116872.db2.gz	YSUOYSYXGQJNGH-UHFFFAOYSA-N	-1	1	353.411	1.581	20	10		FDCDMM
Cc1nn(C)c2nc(C)cc(C(=O)Nc3nc(C4=S=CC=C4)n[n-]3)c12	ZINC000917128033	883116878	/nfs/dbraw/zinc/11/68/78/883116878.db2.gz	YSUOYSYXGQJNGH-UHFFFAOYSA-N	-1	1	353.411	1.581	20	10		FDCDMM
Cc1cc(NC(=O)C(=O)NCc2cccc(Br)c2[O-])no1	ZINC000765754771	908820326	/nfs/dbraw/zinc/82/03/26/908820326.db2.gz	WOJCANGEZGPTIF-UHFFFAOYSA-N	-1	1	354.160	1.706	20	10		FDCDMM
CC(C)S(=O)(=O)CC(=O)NCc1cccc(Br)c1[O-]	ZINC000765765469	909149504	/nfs/dbraw/zinc/14/95/04/909149504.db2.gz	SDCKUFVXFUWVAL-UHFFFAOYSA-N	-1	1	350.234	1.594	20	10		FDCDMM
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cc(=O)[nH][n-]1	ZINC000771057453	930406022	/nfs/dbraw/zinc/40/60/22/930406022.db2.gz	JTGPQGBYKDLNLG-GFCCVEGCSA-N	-1	1	350.806	1.002	20	10		FDCDMM
CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)c1	ZINC000771219139	930543300	/nfs/dbraw/zinc/54/33/00/930543300.db2.gz	AWUCSPGYBQRXGZ-UHFFFAOYSA-N	-1	1	356.425	1.410	20	10		FDCDMM
O=C(NCCNC(=O)c1c(F)cccc1F)c1c([O-])c(O)ccc1F	ZINC000790070945	933332585	/nfs/dbraw/zinc/33/25/85/933332585.db2.gz	MLMKKEBTKRLESS-UHFFFAOYSA-N	-1	1	354.284	1.675	20	10		FDCDMM
CN1CCN(c2ccc(C=Cc3[nH]c(=O)[n-]c(=O)c3[N+](=O)[O-])cc2)CC1	ZINC000806562623	939970624	/nfs/dbraw/zinc/97/06/24/939970624.db2.gz	KCLBZKMVUMBDIE-DAXSKMNVSA-N	-1	1	357.370	1.718	20	10		FDCDMM
COC(=O)Cc1cccc(S(=O)(=O)[N-]c2ccc(O)c(OC)c2)c1	ZINC000811701537	941153544	/nfs/dbraw/zinc/15/35/44/941153544.db2.gz	ZFBOKLZBFXSKKJ-UHFFFAOYSA-N	-1	1	351.380	1.917	20	10		FDCDMM
CC(=O)c1cccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1O	ZINC000816620720	942280610	/nfs/dbraw/zinc/28/06/10/942280610.db2.gz	IDPSQETZVPRKGN-UHFFFAOYSA-N	-1	1	364.379	1.924	20	10		FDCDMM
CCOC(=O)c1c[nH]nc1S(=O)(=O)NCc1cccc(Cl)c1[O-]	ZINC001195882501	971304850	/nfs/dbraw/zinc/30/48/50/971304850.db2.gz	PTGLJTMWSJPVMN-UHFFFAOYSA-N	-1	1	359.791	1.424	20	10		FDCDMM
CCN1CCN(c2ccc(CNC(=O)C(C)(C)C(=O)[O-])cc2F)CC1	ZINC000844243839	947910665	/nfs/dbraw/zinc/91/06/65/947910665.db2.gz	MWLMWWOETOXAHC-UHFFFAOYSA-N	-1	1	351.422	1.695	20	10		FDCDMM
COc1ccc(N(C)CCN(C)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1	ZINC000846442800	951117360	/nfs/dbraw/zinc/11/73/60/951117360.db2.gz	YKLCPLXLZPVBKI-UHFFFAOYSA-N	-1	1	360.370	1.912	20	10		FDCDMM
O=C(CNC(=O)c1ncn(Cc2ccccc2)n1)c1ccc([O-])c(O)c1	ZINC001197189636	972117248	/nfs/dbraw/zinc/11/72/48/972117248.db2.gz	ICCNUALSISWRTM-UHFFFAOYSA-N	-1	1	352.350	1.350	20	10		FDCDMM
O=C(NCCN1Cc2ccccc2OCC1=O)c1c(F)ccc(O)c1[O-]	ZINC001184256282	963511829	/nfs/dbraw/zinc/51/18/29/963511829.db2.gz	GIEOYCKYOZYFJN-UHFFFAOYSA-N	-1	1	360.341	1.388	20	10		FDCDMM
Cn1nc2c(c1C(=O)NCc1cccc(Cl)c1[O-])CS(=O)(=O)CC2	ZINC001180421118	965323471	/nfs/dbraw/zinc/32/34/71/965323471.db2.gz	WQJVICLYMICCTL-UHFFFAOYSA-N	-1	1	369.830	1.180	20	10		FDCDMM
CN(C)c1cccc([N-]S(=O)(=O)c2ccc(N3CCOCC3)nc2)c1	ZINC001188529663	966366191	/nfs/dbraw/zinc/36/61/91/966366191.db2.gz	RFPYNLDNJHEGMC-UHFFFAOYSA-N	-1	1	362.455	1.785	20	10		FDCDMM
COc1ccc(N2CC[C@@H](NC(=O)c3nc4ccccc4c(=O)[n-]3)C2)cc1	ZINC000853818001	968344688	/nfs/dbraw/zinc/34/46/88/968344688.db2.gz	QFYBFMJPXILOCW-CYBMUJFWSA-N	-1	1	364.405	1.940	20	10		FDCDMM
Cc1nc(C(=O)NCC(=O)c2ccc([O-])c(O)c2)c(Br)o1	ZINC001191635310	968641568	/nfs/dbraw/zinc/64/15/68/968641568.db2.gz	BAYUKSGQVXLOCV-UHFFFAOYSA-N	-1	1	355.144	1.769	20	10		FDCDMM
COC(=O)[C@@H]1C[C@H]1c1ccc(C(=O)NCC(=O)c2ccc([O-])c(O)c2)cc1	ZINC001192213060	968996560	/nfs/dbraw/zinc/99/65/60/968996560.db2.gz	ZVTAJRLDTSIQQM-LSDHHAIUSA-N	-1	1	369.373	1.987	20	10		FDCDMM
CCOC(=O)[C@H]1c2nc[nH]c2CCN1C(=O)c1ccc(O)c([O-])c1Cl	ZINC001193231909	969561215	/nfs/dbraw/zinc/56/12/15/969561215.db2.gz	ASFDHPPFACDAKV-CYBMUJFWSA-N	-1	1	365.773	1.777	20	10		FDCDMM
O=C(NC[C@H]1CN(Cc2ccncc2)CCO1)c1c(F)ccc(O)c1[O-]	ZINC000863943019	973305765	/nfs/dbraw/zinc/30/57/65/973305765.db2.gz	KMTSSJFTOTVZHL-ZDUSSCGKSA-N	-1	1	361.373	1.263	20	10		FDCDMM
CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C)cc1C	ZINC000794590840	973414458	/nfs/dbraw/zinc/41/44/58/973414458.db2.gz	SLIAZCKYAYDKQR-UHFFFAOYSA-N	-1	1	370.452	1.718	20	10		FDCDMM
Cc1cc(C(=O)NCC(=O)c2ccc([O-])c(O)c2)nn1Cc1ccncc1	ZINC001199101163	973915106	/nfs/dbraw/zinc/91/51/06/973915106.db2.gz	OAXOAYGKWQYBFP-UHFFFAOYSA-N	-1	1	366.377	1.659	20	10		FDCDMM
CC[S@@](C)(=O)=NS(=O)(=O)[N-][C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000867496647	976253273	/nfs/dbraw/zinc/25/32/73/976253273.db2.gz	GJSYZNMPHMUSTQ-VERVWZFWSA-N	-1	1	361.489	1.226	20	10		FDCDMM
O=C(CN1CCCCC(=O)C1=O)NCc1cccc(Br)c1[O-]	ZINC000867831060	976956611	/nfs/dbraw/zinc/95/66/11/976956611.db2.gz	OIHNZYNNOSVGRS-UHFFFAOYSA-N	-1	1	369.215	1.353	20	10		FDCDMM
CN(C)c1ccc(CNC(=O)CN(CCC(=O)[O-])C[C@H]2CCCO2)cc1	ZINC001598318318	991314052	/nfs/dbraw/zinc/31/40/52/991314052.db2.gz	WUFZUXUIEMBSHC-QGZVFWFLSA-N	-1	1	363.458	1.325	20	10		FDCDMM
CN1CCN(c2ccc(CNC(=O)NCc3ccc(C(=O)[O-])o3)cc2)CC1	ZINC001598622355	994023380	/nfs/dbraw/zinc/02/33/80/994023380.db2.gz	FGEWSKRZHWAQQE-UHFFFAOYSA-N	-1	1	372.425	1.729	20	10		FDCDMM
CN1CCN(c2ccc(CNC(=O)N3CCC[C@H]3CC(=O)[O-])cc2)CC1	ZINC001598622462	994025276	/nfs/dbraw/zinc/02/52/76/994025276.db2.gz	KLVCFWABBFBPOA-KRWDZBQOSA-N	-1	1	360.458	1.587	20	10		FDCDMM
COC(=O)CN(CC(=O)[O-])Cc1cc(Br)cc(F)c1O	ZINC001598861528	996678573	/nfs/dbraw/zinc/67/85/73/996678573.db2.gz	DAEZUTJXLHNDAA-UHFFFAOYSA-N	-1	1	350.140	1.353	20	10		FDCDMM
COc1cc(N2CCN(C/C(C)=C\C(=O)[O-])CC2)cc(OC)c1OC	ZINC001599427318	997698886	/nfs/dbraw/zinc/69/88/86/997698886.db2.gz	MHYDGRBGPHYBMS-LCYFTJDESA-N	-1	1	350.415	1.865	20	10		FDCDMM
C[N-]S(=O)(=O)c1cc(C(=O)N2CCOc3cc(N(C)C)ccc32)co1	ZINC000270215452	674178911	/nfs/dbraw/zinc/17/89/11/674178911.db2.gz	SLSMSVLTCNESEQ-UHFFFAOYSA-N	-1	1	365.411	1.293	20	10		FDCDMM
O=C(c1ccccc1NC=C1C(=O)[N-]C(=S)NC1=O)N1CCCCC1	ZINC000060864722	522420687	/nfs/dbraw/zinc/42/06/87/522420687.db2.gz	OZZMXSLUVHSPTH-UHFFFAOYSA-N	-1	1	358.423	1.139	20	10		FDCDMM
CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@H+](C)[C@@H](C)C(=O)[O-])c1	ZINC000817723540	597480069	/nfs/dbraw/zinc/48/00/69/597480069.db2.gz	QHXHOCQRVANXIZ-LBPRGKRZSA-N	-1	1	350.415	1.332	20	10		FDCDMM
O=C([O-])NCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2[O-])C1	ZINC000834242000	605992079	/nfs/dbraw/zinc/99/20/79/605992079.db2.gz	VYMSRIHIPKJNIF-GFCCVEGCSA-N	-1	1	355.822	1.641	20	10		FDCDMM
C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)c1ccc(N2CCOCC2)cc1	ZINC000824658631	608404487	/nfs/dbraw/zinc/40/44/87/608404487.db2.gz	YXSPYKSBASEBMP-LBPRGKRZSA-N	-1	1	352.402	1.666	20	10		FDCDMM
C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)c1ccc(N2CCOCC2)cc1	ZINC000824658631	608404488	/nfs/dbraw/zinc/40/44/88/608404488.db2.gz	YXSPYKSBASEBMP-LBPRGKRZSA-N	-1	1	352.402	1.666	20	10		FDCDMM
Cc1nn(C)c(C)c1S(=O)(=O)NCc1cccc(Br)c1[O-]	ZINC000277420440	674939403	/nfs/dbraw/zinc/93/94/03/674939403.db2.gz	AORCXAXCPVMQRH-UHFFFAOYSA-N	-1	1	374.260	1.984	20	10		FDCDMM
C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)NCc1cccc(Br)c1[O-]	ZINC000277562868	674968311	/nfs/dbraw/zinc/96/83/11/674968311.db2.gz	POVWCYGNNOPGOY-PRHODGIISA-N	-1	1	371.231	1.047	20	10		FDCDMM
CC(C)C(=O)NCCNC(=O)NCc1cccc(Br)c1[O-]	ZINC000278422469	675135531	/nfs/dbraw/zinc/13/55/31/675135531.db2.gz	QVYKDATUEPZHQT-UHFFFAOYSA-N	-1	1	358.236	1.726	20	10		FDCDMM
COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)cc1C(N)=O	ZINC000032080804	670861349	/nfs/dbraw/zinc/86/13/49/670861349.db2.gz	VUAAUZAKCVTJQV-UHFFFAOYSA-N	-1	1	350.352	1.324	20	10		FDCDMM
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Cc1sc(N)nc1[O-]	ZINC000120835249	671696345	/nfs/dbraw/zinc/69/63/45/671696345.db2.gz	KGLYFVPDLRRYFW-HNNXBMFYSA-N	-1	1	360.483	1.982	20	10		FDCDMM
CC(C)[C@H](C(=O)NCc1cccc(Cl)c1[O-])N1CCCS1(=O)=O	ZINC000890760670	771609473	/nfs/dbraw/zinc/60/94/73/771609473.db2.gz	VRNGPESSPYTGJA-CYBMUJFWSA-N	-1	1	360.863	1.722	20	10		FDCDMM
C[C@H]1CCN(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)C[C@@H]1C(=O)[O-]	ZINC000898861559	845345683	/nfs/dbraw/zinc/34/56/83/845345683.db2.gz	XIRCMBIKDWSAKY-YJBOKZPZSA-N	-1	1	374.485	1.691	20	10		FDCDMM
COCC[C@@H](C)S(=O)(=O)NCc1cccc(Br)c1[O-]	ZINC000766199594	922512744	/nfs/dbraw/zinc/51/27/44/922512744.db2.gz	FXQYBFMZBNCTPF-SECBINFHSA-N	-1	1	352.250	1.999	20	10		FDCDMM
COc1cnccc1-c1noc(-c2cc(NS(C)(=O)=O)ccc2[O-])n1	ZINC000771542075	930723354	/nfs/dbraw/zinc/72/33/54/930723354.db2.gz	KFSDMULLBKVGPB-UHFFFAOYSA-N	-1	1	362.367	1.884	20	10		FDCDMM
CCc1cc(O)ccc1[N-]S(=O)(=O)c1cccc(S(N)(=O)=O)c1	ZINC000790415721	933528004	/nfs/dbraw/zinc/52/80/04/933528004.db2.gz	JAYGJHANJVPDDV-UHFFFAOYSA-N	-1	1	356.425	1.403	20	10		FDCDMM
COc1ccc(C(=O)[N-]C(=O)COC(=O)/C=C\c2ccc(O)c(O)c2)cc1	ZINC000772773352	933987293	/nfs/dbraw/zinc/98/72/93/933987293.db2.gz	BTAVUHLQTKQNTA-OQFOIZHKSA-N	-1	1	371.345	1.619	20	10		FDCDMM
COc1ccc(CNC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)c(O)c1	ZINC000794380464	938396309	/nfs/dbraw/zinc/39/63/09/938396309.db2.gz	DQIMQEPBPGJDED-UHFFFAOYSA-N	-1	1	356.382	1.625	20	10		FDCDMM
CNC(=O)[C@@H]1CC[N@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C1	ZINC000817370560	942723945	/nfs/dbraw/zinc/72/39/45/942723945.db2.gz	LTFOQHIBQSATDD-CQSZACIVSA-N	-1	1	354.406	1.897	20	10		FDCDMM
CNC(=O)[C@@H]1CC[N@@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C1	ZINC000817370560	942723951	/nfs/dbraw/zinc/72/39/51/942723951.db2.gz	LTFOQHIBQSATDD-CQSZACIVSA-N	-1	1	354.406	1.897	20	10		FDCDMM
O=C(NCc1ccc(N2CCC(O)CC2)cc1)C(=O)c1ccc([O-])cc1	ZINC000856213717	970987569	/nfs/dbraw/zinc/98/75/69/970987569.db2.gz	UTIMPVZBKKCCLA-UHFFFAOYSA-N	-1	1	354.406	1.852	20	10		FDCDMM
CCN1CCN(c2ccc(CNC(=O)c3[nH]nc(C)c3[O-])cc2F)CC1	ZINC001136687249	945568564	/nfs/dbraw/zinc/56/85/64/945568564.db2.gz	IOYWKRHXXCGKPL-UHFFFAOYSA-N	-1	1	361.421	1.635	20	10		FDCDMM
CCN1CCN(c2ccc(CNC(=O)[C@@H](C(=O)[O-])C(C)C)cc2F)CC1	ZINC000844243401	947911381	/nfs/dbraw/zinc/91/13/81/947911381.db2.gz	HJOJEKHMELKWDQ-KRWDZBQOSA-N	-1	1	365.449	1.941	20	10		FDCDMM
CC1(N2CCOCC2)CCN(C(=O)c2cc(=O)n(-c3ccccc3)[n-]2)CC1	ZINC001147885646	952557199	/nfs/dbraw/zinc/55/71/99/952557199.db2.gz	WWKILODMZNUWQS-UHFFFAOYSA-N	-1	1	370.453	1.493	20	10		FDCDMM
CC[S@](C)(=O)=NS(=O)(=O)[N-]Cc1cccc(Br)c1O	ZINC000867195323	971889419	/nfs/dbraw/zinc/88/94/19/971889419.db2.gz	QQPBJTDMYHDVQO-SFHVURJKSA-N	-1	1	371.278	1.607	20	10		FDCDMM
CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC(=O)c1ccc([O-])c(O)c1	ZINC001181598599	960982041	/nfs/dbraw/zinc/98/20/41/960982041.db2.gz	DALFWTJVCWEQJN-INIZCTEOSA-N	-1	1	368.389	1.370	20	10		FDCDMM
O=C(CCC(=O)OCc1ccccc1)NCC(=O)c1ccc([O-])c(O)c1	ZINC001182778126	962542983	/nfs/dbraw/zinc/54/29/83/962542983.db2.gz	UHIRBCUHZOHWOV-UHFFFAOYSA-N	-1	1	357.362	1.920	20	10		FDCDMM
Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)Nc3nccn3C)cc12	ZINC001184354618	963558670	/nfs/dbraw/zinc/55/86/70/963558670.db2.gz	IIJGFKCYFCIWDX-UHFFFAOYSA-N	-1	1	356.382	1.611	20	10		FDCDMM
CCOC(=O)[C@@H]1CSCCN1Cc1ccc([N+](=O)[O-])c(OC)c1[O-]	ZINC000774825966	963799408	/nfs/dbraw/zinc/79/94/08/963799408.db2.gz	JEYYTGVPFPMSAA-LBPRGKRZSA-N	-1	1	356.400	1.790	20	10		FDCDMM
CC(C)(C)OC(=O)N1CC(F)(C(=O)NCC(=O)c2ccc([O-])c(O)c2)C1	ZINC001178554665	964302603	/nfs/dbraw/zinc/30/26/03/964302603.db2.gz	LYQMTWSXHLEHLQ-UHFFFAOYSA-N	-1	1	368.361	1.356	20	10		FDCDMM
COC(=O)c1cc(O)ccc1NS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1	ZINC000775286946	967202224	/nfs/dbraw/zinc/20/22/24/967202224.db2.gz	RQWSCPCSTCFUGX-UHFFFAOYSA-N	-1	1	369.326	1.817	20	10		FDCDMM
O=C(Nc1nccnc1N1CCOCC1)c1ccc(O)c([O-])c1Cl	ZINC001193208968	969537202	/nfs/dbraw/zinc/53/72/02/969537202.db2.gz	CMLOPUUBVJYIIG-UHFFFAOYSA-N	-1	1	350.762	1.630	20	10		FDCDMM
CCOC(=O)[C@@]12CCO[C@@H]1CCN(C(=O)c1ccc(O)c([O-])c1Cl)C2	ZINC001193219872	969547298	/nfs/dbraw/zinc/54/72/98/969547298.db2.gz	MMHPCJSUZAPODZ-SJKOYZFVSA-N	-1	1	369.801	1.936	20	10		FDCDMM
O=C(NCc1ccc(N2CCOCC2)nn1)c1ccc(O)c([O-])c1Cl	ZINC001193236950	969565554	/nfs/dbraw/zinc/56/55/54/969565554.db2.gz	UORPOFYOXCZAOR-UHFFFAOYSA-N	-1	1	364.789	1.308	20	10		FDCDMM
COc1ccc(N2CC[C@@H]([N-]S(=O)(=O)c3c(C)onc3N)C2)cc1	ZINC000849416424	977540633	/nfs/dbraw/zinc/54/06/33/977540633.db2.gz	RBOXQGXYYUAAPP-LLVKDONJSA-N	-1	1	352.416	1.131	20	10		FDCDMM
COc1ccc(N2CC[C@H]([N-]S(=O)(=O)c3ncn(C)c3Cl)C2)cc1	ZINC000849416535	977541943	/nfs/dbraw/zinc/54/19/43/977541943.db2.gz	RYZOBWVFFDSBRF-NSHDSACASA-N	-1	1	370.862	1.639	20	10		FDCDMM
CN1CCN(c2ccc(CNC(=O)C(C)(C)SCC(=O)[O-])cc2)CC1	ZINC000887313418	997151661	/nfs/dbraw/zinc/15/16/61/997151661.db2.gz	AXTXWGPTRZGVAG-UHFFFAOYSA-N	-1	1	365.499	1.651	20	10		FDCDMM
COc1cc(Br)cc(C[N@@H+](CCC(=O)[O-])CC(=O)[O-])c1O	ZINC001599346184	998011065	/nfs/dbraw/zinc/01/10/65/998011065.db2.gz	IXGOCWVTCGXBAA-UHFFFAOYSA-N	-1	1	362.176	1.525	20	10		FDCDMM
Cn1c(CCNC(=O)C=Cc2ccc(N3CCOCC3)cc2)n[n-]c1=S	ZINC000067051148	523307596	/nfs/dbraw/zinc/30/75/96/523307596.db2.gz	MTZGTSXXHALXMM-QPJJXVBHSA-N	-1	1	373.482	1.686	20	10		FDCDMM
O=S(=O)([N-]c1cccc(N2CCS(=O)(=O)CC2)c1)c1ccccc1	ZINC000175684550	524991949	/nfs/dbraw/zinc/99/19/49/524991949.db2.gz	QPIIPNBTGFSELH-UHFFFAOYSA-N	-1	1	366.464	1.722	20	10		FDCDMM
Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCc1ccc(N(C)C)cc1	ZINC000104018711	525384117	/nfs/dbraw/zinc/38/41/17/525384117.db2.gz	YFBNHTGKNFWXSX-UHFFFAOYSA-N	-1	1	353.426	1.564	20	10		FDCDMM
CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@H+]2CC[C@H](C(=O)[O-])C2)c1	ZINC000817723502	597537849	/nfs/dbraw/zinc/53/78/49/597537849.db2.gz	JKPVQISHNYIDPW-AWEZNQCLSA-N	-1	1	362.426	1.334	20	10		FDCDMM
OC1CCN(c2ccc(CNc3cccc(-c4nnn[n-]4)n3)cc2F)CC1	ZINC000738388918	599415663	/nfs/dbraw/zinc/41/56/63/599415663.db2.gz	JAHKWXOUTRTTGH-UHFFFAOYSA-N	-1	1	369.404	1.974	20	10		FDCDMM
OC1CCN(c2ccc(CNc3cccc(-c4nn[n-]n4)n3)cc2F)CC1	ZINC000738388918	599415668	/nfs/dbraw/zinc/41/56/68/599415668.db2.gz	JAHKWXOUTRTTGH-UHFFFAOYSA-N	-1	1	369.404	1.974	20	10		FDCDMM
O=C([O-])C[N@H+](Cc1cc(=O)n2nccc2[nH]1)Cc1cc(Cl)ccc1[O-]	ZINC000739793703	600145092	/nfs/dbraw/zinc/14/50/92/600145092.db2.gz	NNNHPBDBKKFYJA-UHFFFAOYSA-N	-1	1	362.773	1.468	20	10		FDCDMM
O=C([O-])C[N@@H+](Cc1cc(=O)n2nccc2[nH]1)Cc1cc(Cl)ccc1[O-]	ZINC000739793703	600145094	/nfs/dbraw/zinc/14/50/94/600145094.db2.gz	NNNHPBDBKKFYJA-UHFFFAOYSA-N	-1	1	362.773	1.468	20	10		FDCDMM
CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@H]2CN(C)C(=O)[O-])cc1	ZINC000828217831	604091294	/nfs/dbraw/zinc/09/12/94/604091294.db2.gz	AUZFJHOEXNCKJZ-KRWDZBQOSA-N	-1	1	362.474	1.785	20	10		FDCDMM
COCCCNC(=O)C1CCN(C(=O)c2c(F)ccc(O)c2[O-])CC1	ZINC000276651444	674746043	/nfs/dbraw/zinc/74/60/43/674746043.db2.gz	WQAZASBCXTUQFV-UHFFFAOYSA-N	-1	1	354.378	1.242	20	10		FDCDMM
O=C(NCc1cccc(Br)c1[O-])[C@@H]1CCCCS1(=O)=O	ZINC000277441075	674943063	/nfs/dbraw/zinc/94/30/63/674943063.db2.gz	FLCAUJOVHKYUPN-NSHDSACASA-N	-1	1	362.245	1.738	20	10		FDCDMM
CS(=O)(=O)CCCNC(=O)NCc1cccc(Br)c1[O-]	ZINC000277650406	674988947	/nfs/dbraw/zinc/98/89/47/674988947.db2.gz	YHYPMQUANCWWBW-UHFFFAOYSA-N	-1	1	365.249	1.389	20	10		FDCDMM
O=C(CCN1C(=O)CCC1=O)NCc1cccc(Br)c1[O-]	ZINC000277656447	674989979	/nfs/dbraw/zinc/98/99/79/674989979.db2.gz	ZLIPAJAMPREZTI-UHFFFAOYSA-N	-1	1	355.188	1.310	20	10		FDCDMM
COCCO[C@@H]1C[C@H](CO)CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1	ZINC000278709582	675183755	/nfs/dbraw/zinc/18/37/55/675183755.db2.gz	OLLMKQSEPYXROB-SMDDNHRTSA-N	-1	1	374.821	1.800	20	10		FDCDMM
CN(C)S(=O)(=O)c1cc(C(=O)NCc2cccc(Cl)c2[O-])n(C)c1	ZINC000890759737	771604181	/nfs/dbraw/zinc/60/41/81/771604181.db2.gz	PVHRYSAJUCZDJH-UHFFFAOYSA-N	-1	1	371.846	1.564	20	10		FDCDMM
O=C(CN1CCN(C(=O)c2c([O-])c(O)ccc2F)CC1)N1CCCCC1	ZINC000276570939	778230711	/nfs/dbraw/zinc/23/07/11/778230711.db2.gz	LEBPWFZYFDNTEI-UHFFFAOYSA-N	-1	1	365.405	1.007	20	10		FDCDMM
CC(C)CN1C(=O)C(=CNCCCN(C)c2ccccc2)C(=O)[N-]C1=S	ZINC000255435106	781075947	/nfs/dbraw/zinc/07/59/47/781075947.db2.gz	PIWZJKFVRVQLCQ-FOWTUZBSSA-N	-1	1	374.510	1.886	20	10		FDCDMM
O=c1nc(NCc2cc(F)c(N3CCOCC3)c(F)c2)nc2[nH][n-]cc1-2	ZINC000840326862	823765467	/nfs/dbraw/zinc/76/54/67/823765467.db2.gz	JLGXMHUYNNULCY-UHFFFAOYSA-N	-1	1	362.340	1.159	20	10		FDCDMM
O=C(NCc1cccc(Cl)c1[O-])NC1C[C@H]2CC[C@@H](C1)S2(=O)=O	ZINC000896704645	824809202	/nfs/dbraw/zinc/80/92/02/824809202.db2.gz	LBEXDHJATCBEKH-YOGCLGLASA-N	-1	1	358.847	1.953	20	10		FDCDMM
O=C(CN1CCN(c2ccccn2)CC1)OCC(=O)c1ccc([O-])c(O)c1	ZINC000783786971	834308886	/nfs/dbraw/zinc/30/88/86/834308886.db2.gz	XONUQAOYKUETCT-UHFFFAOYSA-N	-1	1	371.393	1.041	20	10		FDCDMM
CS(=O)(=O)Cc1ccc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1	ZINC000916614502	881828783	/nfs/dbraw/zinc/82/87/83/881828783.db2.gz	KGINDIAVVYRVQL-UHFFFAOYSA-N	-1	1	364.375	1.682	20	10		FDCDMM
COc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C(C)=O)cc1C(N)=O	ZINC000766050525	882191161	/nfs/dbraw/zinc/19/11/61/882191161.db2.gz	IKISZWOWUBFCBD-UHFFFAOYSA-N	-1	1	364.379	1.503	20	10		FDCDMM
Cc1cc(Cc2noc(-c3cc(NS(C)(=O)=O)ccc3[O-])n2)no1	ZINC000762104094	875214705	/nfs/dbraw/zinc/21/47/05/875214705.db2.gz	YKIRKQLWDXXBSC-UHFFFAOYSA-N	-1	1	350.356	1.701	20	10		FDCDMM
COCCN1C(=O)C(=CNc2ccc(F)cc2Cl)C(=O)[N-]C1=S	ZINC000920976619	887360253	/nfs/dbraw/zinc/36/02/53/887360253.db2.gz	MFHRSDIWTZGUNM-VQHVLOKHSA-N	-1	1	357.794	1.665	20	10		FDCDMM
Cc1cc(NC(=O)C(=O)NCc2cccc(Br)c2[O-])n(C)n1	ZINC000765904850	897321814	/nfs/dbraw/zinc/32/18/14/897321814.db2.gz	YBMIKJVNCPPPEB-UHFFFAOYSA-N	-1	1	367.203	1.452	20	10		FDCDMM
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CCn1cc[n-]c(=O)c1=O	ZINC000733135114	920675462	/nfs/dbraw/zinc/67/54/62/920675462.db2.gz	OYJDCSKMXSVIDR-UHFFFAOYSA-N	-1	1	358.442	1.430	20	10		FDCDMM
CNS(=O)(=O)c1ccc(CNC(=O)c2c(F)ccc(O)c2[O-])s1	ZINC000789953394	933266469	/nfs/dbraw/zinc/26/64/69/933266469.db2.gz	QLOFQXGWTATWAB-UHFFFAOYSA-N	-1	1	360.388	1.137	20	10		FDCDMM
O=C(NCCS(=O)(=O)NCc1ccccc1)c1c([O-])c(O)ccc1F	ZINC000789956196	933267675	/nfs/dbraw/zinc/26/76/75/933267675.db2.gz	CVTPUXGCPFGNTN-UHFFFAOYSA-N	-1	1	368.386	1.086	20	10		FDCDMM
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3ccc([O-])cn3)cc2)C1	ZINC001136340281	944047421	/nfs/dbraw/zinc/04/74/21/944047421.db2.gz	KPVPLPSWUZZZNT-CQSZACIVSA-N	-1	1	354.410	1.419	20	10		FDCDMM
CN1C(=O)CC[C@H](NC(=O)NCc2cccc(Br)c2[O-])C1=O	ZINC000823905390	946070330	/nfs/dbraw/zinc/07/03/30/946070330.db2.gz	HTKGBAPYUPDZMJ-JTQLQIEISA-N	-1	1	370.203	1.101	20	10		FDCDMM
COC(=O)[C@H]1C[C@H](NC(=O)NCc2cccc(Br)c2[O-])C1	ZINC000824171362	946258330	/nfs/dbraw/zinc/25/83/30/946258330.db2.gz	NJNVTWMZKCVBDE-MGCOHNPYSA-N	-1	1	357.204	1.906	20	10		FDCDMM
C[C@H]1CN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CCN1CC(C)(C)O	ZINC000844212501	947882549	/nfs/dbraw/zinc/88/25/49/947882549.db2.gz	YYPDKOFNSFHRQJ-VGVVRCBHSA-N	-1	1	363.414	1.974	20	10		FDCDMM
O=C(CNC(=O)c1ccc(N2CCOCC2=O)cc1)c1ccc([O-])c(O)c1	ZINC001196279499	971603839	/nfs/dbraw/zinc/60/38/39/971603839.db2.gz	RIMDZQVQCHNDRC-UHFFFAOYSA-N	-1	1	370.361	1.074	20	10		FDCDMM
CN(Cc1ccc2c(c1)OCCO2)Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1	ZINC000846230231	950750916	/nfs/dbraw/zinc/75/09/16/950750916.db2.gz	JRXZGDZJNQXOOU-UHFFFAOYSA-N	-1	1	370.365	1.536	20	10		FDCDMM
Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)N[C@@H]3CCOC[C@@H]3C)cc12	ZINC001184361103	963542047	/nfs/dbraw/zinc/54/20/47/963542047.db2.gz	VOKZWMZZNBATME-XJKSGUPXSA-N	-1	1	374.437	1.780	20	10		FDCDMM
Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)NC[C@H]3CC(C)(C)O3)cc12	ZINC001184362160	963543026	/nfs/dbraw/zinc/54/30/26/963543026.db2.gz	NGOAMXHALHBZNC-CQSZACIVSA-N	-1	1	374.437	1.923	20	10		FDCDMM
Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)NCc3cccnn3)cc12	ZINC001184362316	963543974	/nfs/dbraw/zinc/54/39/74/963543974.db2.gz	PLGOTKUWOKJGJA-UHFFFAOYSA-N	-1	1	368.393	1.345	20	10		FDCDMM
Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@H](C)Cc1ccc(O)c(O)c1	ZINC000773745531	964255216	/nfs/dbraw/zinc/25/52/16/964255216.db2.gz	KZEGDIIIAUUMEA-SNVBAGLBSA-N	-1	1	370.409	1.753	20	10		FDCDMM
COC(=O)c1cc([N-]S(=O)(=O)c2ccc3nsnc3c2)ccc1O	ZINC001186261240	964386853	/nfs/dbraw/zinc/38/68/53/964386853.db2.gz	KMDIZOMOFBYXIK-UHFFFAOYSA-N	-1	1	365.392	1.984	20	10		FDCDMM
CCOC(=O)[C@H](NCc1ccc([N+](=O)[O-])c(OC)c1[O-])C1CCOCC1	ZINC000775101983	965094254	/nfs/dbraw/zinc/09/42/54/965094254.db2.gz	YYDICDBRKUYDTR-CQSZACIVSA-N	-1	1	368.386	1.757	20	10		FDCDMM
O=C(Nc1ncc(Br)[nH]c1=O)c1ccc(O)c([O-])c1Cl	ZINC001193236975	969565410	/nfs/dbraw/zinc/56/54/10/969565410.db2.gz	VEHNLFZSCFSZNV-UHFFFAOYSA-N	-1	1	360.551	1.849	20	10		FDCDMM
O=C(c1ccc(O)c([O-])c1Cl)N1CC2CC1(C(=O)N1CCCC1)C2	ZINC001193225333	969594734	/nfs/dbraw/zinc/59/47/34/969594734.db2.gz	KVXVJQWWFNTWIZ-UHFFFAOYSA-N	-1	1	350.802	1.978	20	10		FDCDMM
C[C@@H]1C[C@@H]1c1cc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])n[nH]1	ZINC000855003080	970091552	/nfs/dbraw/zinc/09/15/52/970091552.db2.gz	GCTHIGVOHGPXIJ-SCZZXKLOSA-N	-1	1	350.400	1.863	20	10		FDCDMM
Cc1cc(N(C)C)ccc1C[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-]	ZINC000849375033	977473579	/nfs/dbraw/zinc/47/35/79/977473579.db2.gz	MPSDJXULFAGVHB-UHFFFAOYSA-N	-1	1	350.400	1.843	20	10		FDCDMM
CN1CCOC[C@H]1CNC(=O)NCc1cccc(Br)c1[O-]	ZINC000858840383	982325097	/nfs/dbraw/zinc/32/50/97/982325097.db2.gz	RMODEGWAHGCQNP-LLVKDONJSA-N	-1	1	358.236	1.285	20	10		FDCDMM
COc1c([O-])c(CN2CCc3ccccc3[C@H]2C(N)=O)ccc1[N+](=O)[O-]	ZINC000373205112	992002400	/nfs/dbraw/zinc/00/24/00/992002400.db2.gz	QDPFSONHWIDBCS-HNNXBMFYSA-N	-1	1	357.366	1.894	20	10		FDCDMM
NC(=O)C1(c2ccccc2)CCN(C(=O)c2c([O-])c(O)ccc2F)CC1	ZINC000825862544	992504297	/nfs/dbraw/zinc/50/42/97/992504297.db2.gz	BBLCLMFBQYRJCC-UHFFFAOYSA-N	-1	1	358.369	1.896	20	10		FDCDMM
CN(C)c1ccc(CN(C)C(=O)CN[C@H](C(=O)[O-])C2CCOCC2)cc1	ZINC001598518996	992655787	/nfs/dbraw/zinc/65/57/87/992655787.db2.gz	BUWBLDZLRJRURR-SFHVURJKSA-N	-1	1	363.458	1.180	20	10		FDCDMM
COc1c([O-])c([C@H]2NC(=O)[C@@H]3Cc4ccccc4CN32)ccc1[N+](=O)[O-]	ZINC000877866679	993536473	/nfs/dbraw/zinc/53/64/73/993536473.db2.gz	XWTZWBBRVQHMON-YOEHRIQHSA-N	-1	1	355.350	1.864	20	10		FDCDMM
CN1CCN(c2ccc(CNC(=O)[C@H]3CC=CC[C@@H]3C(=O)[O-])cc2)CC1	ZINC000887313938	997153369	/nfs/dbraw/zinc/15/33/69/997153369.db2.gz	OJIPNZCJASEQCZ-ROUUACIJSA-N	-1	1	357.454	1.722	20	10		FDCDMM
COc1cc(N2CCN(C/C=C(/C)C(=O)[O-])CC2)cc(OC)c1OC	ZINC001599427346	997698761	/nfs/dbraw/zinc/69/87/61/997698761.db2.gz	NLQXXADADSQDIN-ACAGNQJTSA-N	-1	1	350.415	1.865	20	10		FDCDMM
CCCCS(=O)(=O)CC(=O)NCc1cccc(Br)c1[O-]	ZINC000935662947	1005953338	/nfs/dbraw/zinc/95/33/38/1005953338.db2.gz	MQRFAWXYSNXESF-UHFFFAOYSA-N	-1	1	364.261	1.986	20	10		FDCDMM
CNS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)nc2)cc1	ZINC000795361794	1006332216	/nfs/dbraw/zinc/33/22/16/1006332216.db2.gz	HASMYIWNNDNSQT-UHFFFAOYSA-N	-1	1	356.429	1.067	20	10		FDCDMM
CC(=O)NCC(=O)N1CCC[N@@H+](Cc2cc(Cl)cc(C)c2O)CC1	ZINC000529664855	539840137	/nfs/dbraw/zinc/84/01/37/539840137.db2.gz	MLSPPXUWUOWGSB-UHFFFAOYSA-N	-1	1	353.850	1.524	20	10		FDCDMM
Cn1nc2c(c1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])CCC2	ZINC000271324100	674334570	/nfs/dbraw/zinc/33/45/70/674334570.db2.gz	YVXXSLJLMQIMTB-UHFFFAOYSA-N	-1	1	350.400	1.238	20	10		FDCDMM
COCCN1C(=O)C(=CNc2ccnn2[C@@H](C)C2CC2)C(=O)[N-]C1=S	ZINC000060865272	522420989	/nfs/dbraw/zinc/42/09/89/522420989.db2.gz	MPWASZKKUXJDFT-JMZICWNOSA-N	-1	1	363.443	1.040	20	10		FDCDMM
CC(=O)NCC[N@@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H](C)C(=O)[O-]	ZINC000819770160	597703709	/nfs/dbraw/zinc/70/37/09/597703709.db2.gz	IOAMBLIIHHFTQF-MRVPVSSYSA-N	-1	1	359.766	1.365	20	10		FDCDMM
COc1cc(N(C)Cc2ccnc(-c3nnn[n-]3)c2)cc(OC)c1OC	ZINC000826180447	607505136	/nfs/dbraw/zinc/50/51/36/607505136.db2.gz	HXRUDCZRFISPFU-UHFFFAOYSA-N	-1	1	356.386	1.924	20	10		FDCDMM
COc1cc(N(C)Cc2ccnc(-c3nn[n-]n3)c2)cc(OC)c1OC	ZINC000826180447	607505138	/nfs/dbraw/zinc/50/51/38/607505138.db2.gz	HXRUDCZRFISPFU-UHFFFAOYSA-N	-1	1	356.386	1.924	20	10		FDCDMM
O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	ZINC000833180101	604916122	/nfs/dbraw/zinc/91/61/22/604916122.db2.gz	YMEOZJVLVKOOTG-BFHYXJOUSA-N	-1	1	352.818	1.847	20	10		FDCDMM
O=C(NCc1cccc(Br)c1[O-])N[C@H]1CC(=O)N(C2CC2)C1	ZINC000277447873	674944947	/nfs/dbraw/zinc/94/49/47/674944947.db2.gz	NCGAQIWZAMVILN-JTQLQIEISA-N	-1	1	368.231	1.717	20	10		FDCDMM
C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)NCc1cccc(Br)c1[O-]	ZINC000277562869	674968265	/nfs/dbraw/zinc/96/82/65/674968265.db2.gz	POVWCYGNNOPGOY-QPUJVOFHSA-N	-1	1	371.231	1.047	20	10		FDCDMM
CS(=O)(=O)NC1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1	ZINC000123459477	671726261	/nfs/dbraw/zinc/72/62/61/671726261.db2.gz	RBQAZNJGCCLLTO-UHFFFAOYSA-N	-1	1	363.823	1.467	20	10		FDCDMM
C[C@@H]1CCNC(=O)[C@H]1NC(=O)NCc1cccc(Br)c1[O-]	ZINC000282226908	675615099	/nfs/dbraw/zinc/61/50/99/675615099.db2.gz	NFZAYIAUUQPDQT-KCJUWKMLSA-N	-1	1	356.220	1.479	20	10		FDCDMM
C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)C1	ZINC000898859308	845339613	/nfs/dbraw/zinc/33/96/13/845339613.db2.gz	DQSJMZJHFWPZKJ-RDJZCZTQSA-N	-1	1	374.485	1.691	20	10		FDCDMM
CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)cc1	ZINC000906274986	852728466	/nfs/dbraw/zinc/72/84/66/852728466.db2.gz	DLUDPOZPWHHNTD-UHFFFAOYSA-N	-1	1	370.408	1.124	20	10		FDCDMM
COC(=O)c1c[nH]nc1S(=O)(=O)[N-]Cc1ccc(N2CCCC2)cc1	ZINC000912530094	859864438	/nfs/dbraw/zinc/86/44/38/859864438.db2.gz	HQLVXOOZRPLTSX-UHFFFAOYSA-N	-1	1	364.427	1.275	20	10		FDCDMM
CNC(=O)c1ccc(NC=C2C(=O)[N-]C(=S)N(CC(C)C)C2=O)cc1	ZINC000920979943	887363744	/nfs/dbraw/zinc/36/37/44/887363744.db2.gz	MLELKMFBORFJDB-MDWZMJQESA-N	-1	1	360.439	1.241	20	10		FDCDMM
CO[C@@]1(CNC(=O)NCc2cccc(Br)c2[O-])CCOC1	ZINC000764806853	905731723	/nfs/dbraw/zinc/73/17/23/905731723.db2.gz	RXWSCAQPYFZUDE-CQSZACIVSA-N	-1	1	359.220	1.759	20	10		FDCDMM
O=C(C[C@@H]1CCS(=O)(=O)C1)NCc1cccc(Br)c1[O-]	ZINC000765727736	908332320	/nfs/dbraw/zinc/33/23/20/908332320.db2.gz	OOTPWYPOUSYLLS-VIFPVBQESA-N	-1	1	362.245	1.596	20	10		FDCDMM
CCn1cnc(S(=O)(=O)NCc2cccc(Br)c2[O-])c1	ZINC000766200866	922519213	/nfs/dbraw/zinc/51/92/13/922519213.db2.gz	OXBUTFYYYOXODA-UHFFFAOYSA-N	-1	1	360.233	1.850	20	10		FDCDMM
COC(=O)Cc1sccc1C(=O)OCC(=O)c1ccc([O-])c(O)c1	ZINC000815454971	941876699	/nfs/dbraw/zinc/87/66/99/941876699.db2.gz	NMSBCBVOXPSAQT-UHFFFAOYSA-N	-1	1	350.348	1.915	20	10		FDCDMM
CNC(=O)c1cc(OC)ccc1[N-]S(=O)(=O)c1cc(F)cc(F)c1O	ZINC000821168520	944376309	/nfs/dbraw/zinc/37/63/09/944376309.db2.gz	GETKRPLCTQNVFJ-UHFFFAOYSA-N	-1	1	372.349	1.839	20	10		FDCDMM
CCCN(Cc1ccccc1O)C(=O)Cc1noc(C)c1-c1nnn[n-]1	ZINC000825323462	947153352	/nfs/dbraw/zinc/15/33/52/947153352.db2.gz	WLZNMDJWNKJEAK-UHFFFAOYSA-N	-1	1	356.386	1.850	20	10		FDCDMM
CCCN(Cc1ccccc1O)C(=O)Cc1noc(C)c1-c1nn[n-]n1	ZINC000825323462	947153360	/nfs/dbraw/zinc/15/33/60/947153360.db2.gz	WLZNMDJWNKJEAK-UHFFFAOYSA-N	-1	1	356.386	1.850	20	10		FDCDMM
COc1ccc(N2CCN(CCNc3ccc(C(=O)[O-])nn3)CC2)cc1	ZINC000844207811	947876237	/nfs/dbraw/zinc/87/62/37/947876237.db2.gz	MZJRQBMFKJLILG-UHFFFAOYSA-N	-1	1	357.414	1.418	20	10		FDCDMM
C/C(I)=C/C(=O)NCC(=O)c1ccc([O-])c(O)c1	ZINC001145017870	951740494	/nfs/dbraw/zinc/74/04/94/951740494.db2.gz	MRMBYNBUBSQQNF-DAXSKMNVSA-N	-1	1	361.135	1.736	20	10		FDCDMM
O=C(CNC(=O)c1ccc(N2C(=O)C=CC2=O)cc1)c1ccc([O-])c(O)c1	ZINC001148898907	952814925	/nfs/dbraw/zinc/81/49/25/952814925.db2.gz	UJSLLGQELHJKBB-UHFFFAOYSA-N	-1	1	366.329	1.140	20	10		FDCDMM
CC(=O)N[C@H](C(=O)NCC(=O)c1ccc([O-])c(O)c1)[C@@H](C)OC(C)(C)C	ZINC001183962374	963377931	/nfs/dbraw/zinc/37/79/31/963377931.db2.gz	LSTJRJXHRIBNCJ-HWPZZCPQSA-N	-1	1	366.414	1.105	20	10		FDCDMM
Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)N3CC(C(F)F)C3)cc12	ZINC001184361040	963541147	/nfs/dbraw/zinc/54/11/47/963541147.db2.gz	MUEYFEPCEDUGRN-UHFFFAOYSA-N	-1	1	366.364	1.962	20	10		FDCDMM
Cc1cccc(-n2cnc(C(=O)NCC(=O)c3ccc([O-])c(O)c3)n2)c1	ZINC001184708468	963689154	/nfs/dbraw/zinc/68/91/54/963689154.db2.gz	MHCNPROVAQWQAK-UHFFFAOYSA-N	-1	1	352.350	1.600	20	10		FDCDMM
CCN1CCN(c2ccc(CNC(=O)[C@@H](C(=O)[O-])C3CC3)cc2F)CC1	ZINC000852944192	967723050	/nfs/dbraw/zinc/72/30/50/967723050.db2.gz	JFBNWLBWFNVRGT-KRWDZBQOSA-N	-1	1	363.433	1.695	20	10		FDCDMM
CCN1CCN(c2ccc(CNC(=O)[C@](C)(OC)C(=O)[O-])cc2F)CC1	ZINC000852945301	967724225	/nfs/dbraw/zinc/72/42/25/967724225.db2.gz	XMUANAFGJUOKIF-SFHVURJKSA-N	-1	1	367.421	1.074	20	10		FDCDMM
Cc1cc([N-]S(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)ccc1O	ZINC000776747868	968966296	/nfs/dbraw/zinc/96/62/96/968966296.db2.gz	PHVKPFLWPSZSRR-UHFFFAOYSA-N	-1	1	370.452	1.752	20	10		FDCDMM
CCn1nnc2c1[C@H](COC)CN(C(=O)c1ccc(O)c([O-])c1Cl)C2	ZINC001193219463	969547121	/nfs/dbraw/zinc/54/71/21/969547121.db2.gz	IFPMBRZOVPRESF-VIFPVBQESA-N	-1	1	366.805	1.749	20	10		FDCDMM
Cn1ncc(NC(=O)c2ccc(O)c([O-])c2Cl)c(Br)c1=O	ZINC001193255162	969582537	/nfs/dbraw/zinc/58/25/37/969582537.db2.gz	QKFBVUNQARVXRE-UHFFFAOYSA-N	-1	1	374.578	1.860	20	10		FDCDMM
O=C(c1ccc(O)c([O-])c1Cl)N1CCCC[C@H]1C(=O)N1CCOCC1	ZINC001193225332	969593364	/nfs/dbraw/zinc/59/33/64/969593364.db2.gz	KTGIESRDLUKESG-LBPRGKRZSA-N	-1	1	368.817	1.605	20	10		FDCDMM
CN(C)c1ccc(CNC(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)cc1	ZINC000866183961	975462256	/nfs/dbraw/zinc/46/22/56/975462256.db2.gz	GMZHQCZUQQBGTI-UHFFFAOYSA-N	-1	1	358.364	1.573	20	10		FDCDMM
Cc1ncc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c(C2CC2)n1	ZINC000848031608	976265544	/nfs/dbraw/zinc/26/55/44/976265544.db2.gz	KNSYECYIUIABJM-UHFFFAOYSA-N	-1	1	362.411	1.992	20	10		FDCDMM
COc1ccc(N2CC[C@H]([N-]S(=O)(=O)c3c(C)onc3N)C2)cc1	ZINC000849416425	977540455	/nfs/dbraw/zinc/54/04/55/977540455.db2.gz	RBOXQGXYYUAAPP-NSHDSACASA-N	-1	1	352.416	1.131	20	10		FDCDMM
O=S(=O)([N-]Cc1ccc(N2CCC(O)CC2)cc1)c1c[nH]nc1Cl	ZINC000851844168	979098991	/nfs/dbraw/zinc/09/89/91/979098991.db2.gz	QJQXUVNNLBJFGX-UHFFFAOYSA-N	-1	1	370.862	1.503	20	10		FDCDMM
C[C@@H]1CN(CC(C)(C)O)CCN1c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-]	ZINC001594509094	985767234	/nfs/dbraw/zinc/76/72/34/985767234.db2.gz	OIANQQVKFLHGPX-VUDGCMKMSA-N	-1	1	363.414	1.974	20	10		FDCDMM
COc1cccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1O	ZINC000779057764	1007233494	/nfs/dbraw/zinc/23/34/94/1007233494.db2.gz	FSLFSASAEBVMMD-UHFFFAOYSA-N	-1	1	352.368	1.730	20	10		FDCDMM
CC(=O)NCC(=O)N1CCC[N@@H+](Cc2c(O)cc(C)cc2Cl)CC1	ZINC000529664863	539840375	/nfs/dbraw/zinc/84/03/75/539840375.db2.gz	MMFYJYGCQNGYCW-UHFFFAOYSA-N	-1	1	353.850	1.524	20	10		FDCDMM
CCCc1nnc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])s1	ZINC000055187297	523762480	/nfs/dbraw/zinc/76/24/80/523762480.db2.gz	PPALFCDNOYKXTE-UHFFFAOYSA-N	-1	1	356.429	1.820	20	10		FDCDMM
C[N-]S(=O)(=O)c1cc(C(=O)NCc2ccc3c(c2)CCCN3C)co1	ZINC000124672358	525048973	/nfs/dbraw/zinc/04/89/73/525048973.db2.gz	TVTZGAKXHBASQK-UHFFFAOYSA-N	-1	1	363.439	1.500	20	10		FDCDMM
Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N(C)Cc1ccc(N(C)C)cc1	ZINC000104021986	525383604	/nfs/dbraw/zinc/38/36/04/525383604.db2.gz	CZLUWOFAGXUQHG-UHFFFAOYSA-N	-1	1	367.453	1.907	20	10		FDCDMM
C[C@@H]1CN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC[C@@H]1NC(=O)[O-]	ZINC000739170695	602766245	/nfs/dbraw/zinc/76/62/45/602766245.db2.gz	HGKXUOZZESKOOC-PBHICJAKSA-N	-1	1	362.474	1.689	20	10		FDCDMM
CCc1nsc(N2CCN(C(=O)c3c(F)ccc(O)c3[O-])CC2)n1	ZINC000276629272	674742594	/nfs/dbraw/zinc/74/25/94/674742594.db2.gz	SIFQFQSHDNYYJV-UHFFFAOYSA-N	-1	1	352.391	1.613	20	10		FDCDMM
C[C@H](Cn1cncn1)NC(=O)NCc1cccc(Br)c1[O-]	ZINC000277330209	674917826	/nfs/dbraw/zinc/91/78/26/674917826.db2.gz	FBHGFNMVVYENDN-SECBINFHSA-N	-1	1	354.208	1.634	20	10		FDCDMM
Cc1nn(C)c(=O)c(C(=O)NCc2cccc(Br)c2[O-])c1C	ZINC000277402530	674935654	/nfs/dbraw/zinc/93/56/54/674935654.db2.gz	BLJBTCUXBXKHRQ-UHFFFAOYSA-N	-1	1	366.215	1.795	20	10		FDCDMM
CN(C)S(=O)(=O)CCC(=O)NCc1cccc(Br)c1[O-]	ZINC000277656404	674989890	/nfs/dbraw/zinc/98/98/90/674989890.db2.gz	ZKZFVGUJDVBZOR-UHFFFAOYSA-N	-1	1	365.249	1.052	20	10		FDCDMM
Cc1noc(CCNC(=O)NCc2cccc(Br)c2[O-])n1	ZINC000277663379	674992538	/nfs/dbraw/zinc/99/25/38/674992538.db2.gz	ZIJOJRJOEZJZJB-UHFFFAOYSA-N	-1	1	355.192	1.888	20	10		FDCDMM
COC(=O)N1CC(NC(=O)NCc2cccc(Br)c2[O-])C1	ZINC000277713776	675013935	/nfs/dbraw/zinc/01/39/35/675013935.db2.gz	JGVCKSNUBRBDTD-UHFFFAOYSA-N	-1	1	358.192	1.405	20	10		FDCDMM
CC(C)CS(=O)(=O)N1CCC(NC(=O)c2c(F)ccc(O)c2[O-])CC1	ZINC000294941316	676398850	/nfs/dbraw/zinc/39/88/50/676398850.db2.gz	JRSUPHSTPUYVBC-UHFFFAOYSA-N	-1	1	374.434	1.417	20	10		FDCDMM
CO[C@@H]1CCOC[C@H]1NC(=O)NCc1cccc(Br)c1[O-]	ZINC000898086532	840770356	/nfs/dbraw/zinc/77/03/56/840770356.db2.gz	FTEXPTGFNSDKQA-VXGBXAGGSA-N	-1	1	359.220	1.758	20	10		FDCDMM
COc1ccccc1C(=O)NCC(=O)OCC(=O)c1ccc([O-])c(O)c1	ZINC000916591566	881789149	/nfs/dbraw/zinc/78/91/49/881789149.db2.gz	VWZDHKKBLMJQFS-UHFFFAOYSA-N	-1	1	359.334	1.262	20	10		FDCDMM
Cc1cc(NC=C2C(=O)[N-]C(=S)NC2=O)n(-c2cccc(Cl)c2)n1	ZINC000920980131	887363723	/nfs/dbraw/zinc/36/37/23/887363723.db2.gz	YEVKZPMZFJXHCD-UHFFFAOYSA-N	-1	1	361.814	1.661	20	10		FDCDMM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2cccc(NC(N)=O)c2)c1	ZINC000730275224	916497546	/nfs/dbraw/zinc/49/75/46/916497546.db2.gz	WVFDSOYWOFGXHU-UHFFFAOYSA-N	-1	1	364.383	1.507	20	10		FDCDMM
C[N-]S(=O)(=O)c1ccc(C(=O)NCCCSc2nccs2)o1	ZINC000733884245	922169222	/nfs/dbraw/zinc/16/92/22/922169222.db2.gz	NRCPDCDOMRXASG-UHFFFAOYSA-N	-1	1	361.470	1.556	20	10		FDCDMM
O=C(COC(=O)[C@@H]1CCCN1C(=O)C(F)(F)F)c1ccc([O-])c(O)c1	ZINC000786577571	931948423	/nfs/dbraw/zinc/94/84/23/931948423.db2.gz	OPAGMOZGBIWYKM-VIFPVBQESA-N	-1	1	361.272	1.377	20	10		FDCDMM
CN(C[C@@H](O)CNC(=O)OC(C)(C)C)C(=O)c1c(F)ccc(O)c1[O-]	ZINC000821019741	944300038	/nfs/dbraw/zinc/30/00/38/944300038.db2.gz	UGDMBYFOZOKNFG-VIFPVBQESA-N	-1	1	358.366	1.195	20	10		FDCDMM
Cc1nc(CN2CCN(c3ccc(C=CC(=O)[O-])cc3[N+](=O)[O-])CC2)n[nH]1	ZINC000844209926	947877135	/nfs/dbraw/zinc/87/71/35/947877135.db2.gz	KXHFFMVOUPAFMM-HYXAFXHYSA-N	-1	1	372.385	1.441	20	10		FDCDMM
C[C@@H]1CN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CCN1CC(C)(C)O	ZINC000844212502	947882693	/nfs/dbraw/zinc/88/26/93/947882693.db2.gz	YYPDKOFNSFHRQJ-VUDGCMKMSA-N	-1	1	363.414	1.974	20	10		FDCDMM
O=S(=O)([N-]c1ccc(O)cc1)c1cccc(S(=O)(=O)NC2CC2)c1	ZINC000844240251	947907371	/nfs/dbraw/zinc/90/73/71/947907371.db2.gz	ZSCOIENABGMYCY-UHFFFAOYSA-N	-1	1	368.436	1.634	20	10		FDCDMM
CN(Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1)C[C@H]1COc2ccccc2O1	ZINC000846229525	950749443	/nfs/dbraw/zinc/74/94/43/950749443.db2.gz	CVCDUEDLDZYQOA-LBPRGKRZSA-N	-1	1	370.365	1.405	20	10		FDCDMM
COc1ccc(N(C)CCN(C)C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1	ZINC000846657974	951425975	/nfs/dbraw/zinc/42/59/75/951425975.db2.gz	CWXFPSTVKFAGSU-UHFFFAOYSA-N	-1	1	360.370	1.912	20	10		FDCDMM
COc1c([O-])c(C[N@@H+](CCC(=O)[O-])C2CCOCC2)ccc1[N+](=O)[O-]	ZINC001326501765	961099235	/nfs/dbraw/zinc/09/92/35/961099235.db2.gz	RNRGEVQMIJAOSF-UHFFFAOYSA-N	-1	1	354.359	1.765	20	10		FDCDMM
O=C(CNC(=O)[C@@H]1CCCN1C(=O)C1CCCCC1)c1ccc([O-])c(O)c1	ZINC001181961705	961267585	/nfs/dbraw/zinc/26/75/85/961267585.db2.gz	ZKQJZPHKVUOJKO-HNNXBMFYSA-N	-1	1	374.437	1.968	20	10		FDCDMM
COc1ccc(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)cc2)cn1	ZINC000795289835	1013268081	/nfs/dbraw/zinc/26/80/81/1013268081.db2.gz	JHCLLSHQAYPKAC-UHFFFAOYSA-N	-1	1	357.413	1.263	20	10		FDCDMM
CC(=O)N[C@H](CCc1ccccc1)C(=O)NCC(=O)c1ccc([O-])c(O)c1	ZINC001182795155	962525206	/nfs/dbraw/zinc/52/52/06/962525206.db2.gz	USGMEOPKJURUPP-MRXNPFEDSA-N	-1	1	370.405	1.534	20	10		FDCDMM
CO[C@H](C)C1CN(C(=O)CN(C)Cc2cc3c(C)cc(=O)oc3cc2[O-])C1	ZINC001184359875	963541678	/nfs/dbraw/zinc/54/16/78/963541678.db2.gz	BUWLLNIVXIEZND-CYBMUJFWSA-N	-1	1	374.437	1.732	20	10		FDCDMM
Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)N(C)CC3COC3)cc12	ZINC001184359696	963541953	/nfs/dbraw/zinc/54/19/53/963541953.db2.gz	SENZHIDEILLXNF-UHFFFAOYSA-N	-1	1	360.410	1.344	20	10		FDCDMM
Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)N[C@@]3(C)CCCOC3)cc12	ZINC001184363485	963543639	/nfs/dbraw/zinc/54/36/39/963543639.db2.gz	QIHVGGCZCNLKPC-FQEVSTJZSA-N	-1	1	374.437	1.924	20	10		FDCDMM
O=C(CNC(=O)[C@@H]1CCCN(CC(F)(F)F)C1)c1ccc([O-])c(O)c1	ZINC001184905921	963749072	/nfs/dbraw/zinc/74/90/72/963749072.db2.gz	MQTJEPVUZWYMNB-LLVKDONJSA-N	-1	1	360.332	1.671	20	10		FDCDMM
CCOC(=O)c1c(C)[nH]cc1CCC(=O)NCC(=O)c1ccc([O-])c(O)c1	ZINC001177837697	963993091	/nfs/dbraw/zinc/99/30/91/963993091.db2.gz	YIOTZPMCPSGYPA-UHFFFAOYSA-N	-1	1	374.393	1.843	20	10		FDCDMM
O=C(CNC(=O)c1ccccc1CN1CCOCC1)c1ccc([O-])c(O)c1	ZINC001187449690	965362695	/nfs/dbraw/zinc/36/26/95/965362695.db2.gz	JLQXYGIPJHWSFR-UHFFFAOYSA-N	-1	1	370.405	1.543	20	10		FDCDMM
O=C(CNC(=O)c1nnn(-c2ccccc2Cl)n1)c1ccc([O-])c(O)c1	ZINC001193054407	969460124	/nfs/dbraw/zinc/46/01/24/969460124.db2.gz	YAUZMJHMRRJBJZ-UHFFFAOYSA-N	-1	1	373.756	1.340	20	10		FDCDMM
CCOC(=O)[C@@H]1c2[nH]cnc2CCN1C(=O)c1cc(O)c([O-])c(Cl)c1	ZINC001193611099	969764710	/nfs/dbraw/zinc/76/47/10/969764710.db2.gz	ASTWYYCUDYZSBL-ZDUSSCGKSA-N	-1	1	365.773	1.777	20	10		FDCDMM
CCN(Cc1cc(Br)ccc1O)C(=O)CCc1nn[n-]n1	ZINC000866604465	975828881	/nfs/dbraw/zinc/82/88/81/975828881.db2.gz	WHHNIGUQWYIVSQ-UHFFFAOYSA-N	-1	1	354.208	1.649	20	10		FDCDMM
CCON(CC)C(=O)CNC(=O)NCc1cccc(Br)c1[O-]	ZINC000858711063	982232178	/nfs/dbraw/zinc/23/21/78/982232178.db2.gz	ZQGSTPFFRBXMDT-UHFFFAOYSA-N	-1	1	374.235	1.754	20	10		FDCDMM
Cc1cc(C2(C(=O)OCC(=O)c3ccc([O-])c(O)c3)CCOCC2)on1	ZINC000860405274	983379079	/nfs/dbraw/zinc/37/90/79/983379079.db2.gz	TYJKIKGMMNTEBA-UHFFFAOYSA-N	-1	1	361.350	1.869	20	10		FDCDMM
COc1c([O-])c(CN2CCC[C@@H]2c2nc(C(N)=O)no2)ccc1[N+](=O)[O-]	ZINC000365807773	988103430	/nfs/dbraw/zinc/10/34/30/988103430.db2.gz	WXAYWBOLPYNNIH-SNVBAGLBSA-N	-1	1	363.330	1.128	20	10		FDCDMM
CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)c2c(F)ccc(O)c2[O-])CCO1	ZINC000295822838	988780639	/nfs/dbraw/zinc/78/06/39/988780639.db2.gz	VKCMCZJTGZCREQ-JTQLQIEISA-N	-1	1	370.377	1.603	20	10		FDCDMM
CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@](C)(CO)C(=O)[O-])C1	ZINC001591635004	992943570	/nfs/dbraw/zinc/94/35/70/992943570.db2.gz	JEGNGJMKGHCEKL-HXUWFJFHSA-N	-1	1	373.453	1.360	20	10		FDCDMM
COC(=O)c1cc(O)ccc1NS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1	ZINC000779461187	1009586427	/nfs/dbraw/zinc/58/64/27/1009586427.db2.gz	XMYHHHOZSBKEAZ-UHFFFAOYSA-N	-1	1	365.363	1.986	20	10		FDCDMM
Cc1nnc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])n1C1CC1	ZINC000285782054	537277425	/nfs/dbraw/zinc/27/74/25/537277425.db2.gz	NIPNUWURWMMEBP-UHFFFAOYSA-N	-1	1	351.388	1.251	20	10		FDCDMM
C[C@@H](C(=O)N(C)C)S(=O)(=O)NCc1cccc(Br)c1[O-]	ZINC000278565264	537338780	/nfs/dbraw/zinc/33/87/80/537338780.db2.gz	BUSZDSOAOFZPJR-QMMMGPOBSA-N	-1	1	365.249	1.051	20	10		FDCDMM
O=C(CN1CCCN(C(=O)c2c(F)ccc(O)c2[O-])CC1)N1CCCC1	ZINC000276586053	537589741	/nfs/dbraw/zinc/58/97/41/537589741.db2.gz	PJWKLOTWZSJMCR-UHFFFAOYSA-N	-1	1	365.405	1.007	20	10		FDCDMM
Cc1c(S(=O)(=O)NCc2cccc(Br)c2[O-])cnn1C	ZINC000292672161	537753663	/nfs/dbraw/zinc/75/36/63/537753663.db2.gz	RGQGHFDFFZLAMD-UHFFFAOYSA-N	-1	1	360.233	1.675	20	10		FDCDMM
CC(=O)NCC[N@H+](Cc1cc(Cl)cc(C(C)=O)c1[O-])[C@H](C)C(=O)[O-]	ZINC000817872959	597674973	/nfs/dbraw/zinc/67/49/73/597674973.db2.gz	UHIHOEBZOLOUMV-SECBINFHSA-N	-1	1	356.806	1.659	20	10		FDCDMM
CC(=O)NCC[N@@H+](Cc1cc(Cl)cc(C(C)=O)c1[O-])[C@H](C)C(=O)[O-]	ZINC000817872959	597674976	/nfs/dbraw/zinc/67/49/76/597674976.db2.gz	UHIHOEBZOLOUMV-SECBINFHSA-N	-1	1	356.806	1.659	20	10		FDCDMM
C[C@H]1OCC[C@@H]1S(=O)(=O)NCc1cccc(Br)c1[O-]	ZINC000277486283	674952750	/nfs/dbraw/zinc/95/27/50/674952750.db2.gz	MYOJPTGCGMKTCR-KCJUWKMLSA-N	-1	1	350.234	1.752	20	10		FDCDMM
CCc1cc(O)ccc1[N-]S(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1	ZINC000189431923	672308922	/nfs/dbraw/zinc/30/89/22/672308922.db2.gz	XUSCQNPPIMVXDU-UHFFFAOYSA-N	-1	1	351.428	1.796	20	10		FDCDMM
COc1c([O-])c(CN[C@@H]2CS(=O)(=O)c3ccccc32)ccc1[N+](=O)[O-]	ZINC000372971504	678001630	/nfs/dbraw/zinc/00/16/30/678001630.db2.gz	CYDNXQATFSFSFK-GFCCVEGCSA-N	-1	1	364.379	1.927	20	10		FDCDMM
CNC(=O)NC[C@H]1CN(Cc2cc(Cl)cc(C(C)=O)c2[O-])CCO1	ZINC000528630167	694739723	/nfs/dbraw/zinc/73/97/23/694739723.db2.gz	ZBMUQNBWKBUVTA-ZDUSSCGKSA-N	-1	1	355.822	1.378	20	10		FDCDMM
O=C(CN1C(=O)NC2(CCCC2)C1=O)NCc1cccc(Cl)c1[O-]	ZINC000890757005	771576683	/nfs/dbraw/zinc/57/66/83/771576683.db2.gz	ITZHOROLJUWXID-UHFFFAOYSA-N	-1	1	351.790	1.526	20	10		FDCDMM
C[C@@H](C(=O)NCc1cccc(Cl)c1[O-])N1C(=O)NC2(CCCC2)C1=O	ZINC000890757778	771587299	/nfs/dbraw/zinc/58/72/99/771587299.db2.gz	LKSKCABYKFWMCD-JTQLQIEISA-N	-1	1	365.817	1.915	20	10		FDCDMM
CC[C@@H](NC(=O)NCc1cccc(Cl)c1[O-])C(=O)N1CCOCC1	ZINC000893515969	804872178	/nfs/dbraw/zinc/87/21/78/804872178.db2.gz	MSNACUNUPDJGML-CYBMUJFWSA-N	-1	1	355.822	1.482	20	10		FDCDMM
CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)NCc2cccc(Cl)c2[O-])O1	ZINC000894006422	809863560	/nfs/dbraw/zinc/86/35/60/809863560.db2.gz	UCJILFZYKVXICV-AAEUAGOBSA-N	-1	1	355.822	1.481	20	10		FDCDMM
O=C(NCCS(=O)(=O)N1CCCC1)NCc1cccc(Cl)c1[O-]	ZINC000897939445	840609755	/nfs/dbraw/zinc/60/97/55/840609755.db2.gz	WYQKEPKKDKPSPT-UHFFFAOYSA-N	-1	1	361.851	1.270	20	10		FDCDMM
C[C@@H]1CCN(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)C[C@H]1C(=O)[O-]	ZINC000898861552	845344638	/nfs/dbraw/zinc/34/46/38/845344638.db2.gz	XIRCMBIKDWSAKY-CRAIPNDOSA-N	-1	1	374.485	1.691	20	10		FDCDMM
COC(=O)c1c[nH]nc1S(=O)(=O)[N-]CCCSc1nccs1	ZINC000912545415	859847756	/nfs/dbraw/zinc/84/77/56/859847756.db2.gz	VQOHAPUYJDFEOG-UHFFFAOYSA-N	-1	1	362.458	1.114	20	10		FDCDMM
Cc1cc(Br)c([O-])c(CN2CCN3C(=O)NC(=O)[C@@H]3C2)c1	ZINC000761214781	864372547	/nfs/dbraw/zinc/37/25/47/864372547.db2.gz	DNCBNTWPJSIWAA-NSHDSACASA-N	-1	1	354.204	1.199	20	10		FDCDMM
Cc1nnc2n1C[C@@H](C(=O)NCc1cccc(Br)c1[O-])CC2	ZINC000765737284	908474086	/nfs/dbraw/zinc/47/40/86/908474086.db2.gz	TZSQUVXAJYHGMF-NSHDSACASA-N	-1	1	365.231	1.933	20	10		FDCDMM
O=C(Cc1nc2ncccn2n1)NCc1cccc(Br)c1[O-]	ZINC000765747951	908619820	/nfs/dbraw/zinc/61/98/20/908619820.db2.gz	RTDVMNFJIPAGGB-UHFFFAOYSA-N	-1	1	362.187	1.451	20	10		FDCDMM
O=C(NCc1cccc(Br)c1[O-])c1cccn2c(=O)[nH]nc12	ZINC000765763558	909113946	/nfs/dbraw/zinc/11/39/46/909113946.db2.gz	DEKGKZDVHKMFGJ-UHFFFAOYSA-N	-1	1	363.171	1.833	20	10		FDCDMM
O=C(NCc1nn[n-]n1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	ZINC000737268014	925000472	/nfs/dbraw/zinc/00/04/72/925000472.db2.gz	RNNSJSUYOIUGSU-UHFFFAOYSA-N	-1	1	350.342	1.870	20	10		FDCDMM
CN(C)c1ccc(CN2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)cc1F	ZINC000844933849	948514602	/nfs/dbraw/zinc/51/46/02/948514602.db2.gz	INHDFTSIPYAPJG-AWEZNQCLSA-N	-1	1	363.433	1.789	20	10		FDCDMM
CCN(Cc1ccc2c(c1)OCO2)Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1	ZINC000846232914	950756053	/nfs/dbraw/zinc/75/60/53/950756053.db2.gz	WOMUCJQTLACRPP-UHFFFAOYSA-N	-1	1	370.365	1.884	20	10		FDCDMM
COc1ccc(N2CC[C@@H](NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)C2)cc1	ZINC000857302208	971708022	/nfs/dbraw/zinc/70/80/22/971708022.db2.gz	JCYKBZNHSQDWGI-LLVKDONJSA-N	-1	1	358.354	1.713	20	10		FDCDMM
O=C(NCc1ccc(N2CCC(O)CC2)cc1)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000857333997	971721561	/nfs/dbraw/zinc/72/15/61/971721561.db2.gz	ZVROANMYEVRFFB-UHFFFAOYSA-N	-1	1	372.381	1.587	20	10		FDCDMM
O=C(N[C@H]1CC[C@H](N2CCOCC2)CC1)c1cc(=O)n(-c2ccccc2)[n-]1	ZINC001147893427	952560490	/nfs/dbraw/zinc/56/04/90/952560490.db2.gz	NZLMXEZOKFEQHP-WKILWMFISA-N	-1	1	370.453	1.539	20	10		FDCDMM
O=C(CNC(=O)c1cncc(Br)n1)c1ccc([O-])c(O)c1	ZINC001147877372	952568194	/nfs/dbraw/zinc/56/81/94/952568194.db2.gz	RESNMHCKLCLITK-UHFFFAOYSA-N	-1	1	352.144	1.263	20	10		FDCDMM
O=C(c1cc(=O)n(-c2ccccc2)[n-]1)N1CCN(C2CCOCC2)CC1	ZINC001147885076	952570992	/nfs/dbraw/zinc/57/09/92/952570992.db2.gz	QCRIJXIYRSMHTI-UHFFFAOYSA-N	-1	1	356.426	1.103	20	10		FDCDMM
COCOc1ccc(F)c(C(=O)NCC(=O)c2ccc([O-])c(O)c2)c1F	ZINC001197455448	972266051	/nfs/dbraw/zinc/26/60/51/972266051.db2.gz	RVCXOKLTVMLYFV-UHFFFAOYSA-N	-1	1	367.304	1.971	20	10		FDCDMM
C[C@]1(c2cccc(CNC(=O)c3c(F)ccc(O)c3[O-])c2)NC(=O)NC1=O	ZINC001182551610	962277126	/nfs/dbraw/zinc/27/71/26/962277126.db2.gz	FXGWDEKVOWOVFK-GOSISDBHSA-N	-1	1	373.340	1.222	20	10		FDCDMM
CCOC(=O)c1n[n-]c(C2CCN(C(=O)C3=CC(=O)CS3)CC2)n1	ZINC000774669109	963242739	/nfs/dbraw/zinc/24/27/39/963242739.db2.gz	BVLOTSNNJRTHJU-UHFFFAOYSA-N	-1	1	350.400	1.768	20	10		FDCDMM
Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)Nc3cncn3C)cc12	ZINC001184357319	963540213	/nfs/dbraw/zinc/54/02/13/963540213.db2.gz	XRSPTFMIFKIXMP-UHFFFAOYSA-N	-1	1	356.382	1.611	20	10		FDCDMM
O=S(=O)(Nc1c(F)cc([O-])cc1F)c1ccc(-c2nn[nH]n2)cc1	ZINC001185609689	964003758	/nfs/dbraw/zinc/00/37/58/964003758.db2.gz	PAGJHTGBBHAOBO-UHFFFAOYSA-N	-1	1	353.310	1.651	20	10		FDCDMM
COc1cc(S(=O)(=O)[N-]Cc2ccc(N3CCOCC3)cc2)sn1	ZINC001185877340	964193499	/nfs/dbraw/zinc/19/34/99/964193499.db2.gz	OMAUCXWNVCIJOF-UHFFFAOYSA-N	-1	1	369.468	1.467	20	10		FDCDMM
Nc1ncc(-c2cccc(C(=O)NCC(=O)c3ccc([O-])c(O)c3)c2)cn1	ZINC001188471797	966344061	/nfs/dbraw/zinc/34/40/61/966344061.db2.gz	OJNNDKFNYPUWOK-UHFFFAOYSA-N	-1	1	364.361	1.750	20	10		FDCDMM
CCn1nnc2c1[C@@H](COC)CN(C(=O)c1ccc(O)c([O-])c1Cl)C2	ZINC001193219462	969547369	/nfs/dbraw/zinc/54/73/69/969547369.db2.gz	IFPMBRZOVPRESF-SECBINFHSA-N	-1	1	366.805	1.749	20	10		FDCDMM
Cc1noc([C@]23COC[C@H]2CN(C(=O)c2ccc(O)c([O-])c2Cl)C3)n1	ZINC001193225526	969594711	/nfs/dbraw/zinc/59/47/11/969594711.db2.gz	OVLUGVSIWDSAKC-JDNHERCYSA-N	-1	1	365.773	1.483	20	10		FDCDMM
O=C(CNC(=O)c1cn(-c2cccc(Cl)c2)nn1)c1ccc([O-])c(O)c1	ZINC001194162237	970029070	/nfs/dbraw/zinc/02/90/70/970029070.db2.gz	WMRYJBYPNDQAAG-UHFFFAOYSA-N	-1	1	372.768	1.945	20	10		FDCDMM
COc1nc(Cl)ccc1S(=O)(=O)NCC(=O)c1ccc([O-])c(O)c1	ZINC001198723953	973422103	/nfs/dbraw/zinc/42/21/03/973422103.db2.gz	ZJHODNMPBJETCT-UHFFFAOYSA-N	-1	1	372.786	1.316	20	10		FDCDMM
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2ccc3c(c2)CCCN3C)n1	ZINC000858925844	982376462	/nfs/dbraw/zinc/37/64/62/982376462.db2.gz	ROGMXPQDEQCVIS-UHFFFAOYSA-N	-1	1	365.415	1.189	20	10		FDCDMM
CN1C(=O)C[C@H](C(=O)OCC(=O)c2ccc([O-])c(O)c2)[C@H]1c1cccnc1	ZINC000860218947	983292387	/nfs/dbraw/zinc/29/23/87/983292387.db2.gz	RNKKLTVSBDHMIR-SCLBCKFNSA-N	-1	1	370.361	1.438	20	10		FDCDMM
O=S(=O)([N-]Cc1ccc(N2CCC(CO)CC2)cc1)c1ccns1	ZINC000885023884	985103245	/nfs/dbraw/zinc/10/32/45/985103245.db2.gz	KYENAWUEZICDLO-UHFFFAOYSA-N	-1	1	367.496	1.830	20	10		FDCDMM
COc1ccc(N2CCN(CCCNc3nccc(C(=O)[O-])n3)CC2)cc1	ZINC001599585019	993601775	/nfs/dbraw/zinc/60/17/75/993601775.db2.gz	DMRXTRPVGBMOTB-UHFFFAOYSA-N	-1	1	371.441	1.808	20	10		FDCDMM
CN1C[C@H](CCNC(=O)NCc2cccc(Br)c2[O-])CC1=O	ZINC000924748831	994969727	/nfs/dbraw/zinc/96/97/27/994969727.db2.gz	ZFKDZGBCYSEGDC-SNVBAGLBSA-N	-1	1	370.247	1.822	20	10		FDCDMM
COC[C@@H](C)n1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])n1	ZINC000779347983	1008734750	/nfs/dbraw/zinc/73/47/50/1008734750.db2.gz	UCAPHWYGCAPKBQ-SNVBAGLBSA-N	-1	1	368.415	1.420	20	10		FDCDMM
O=C(CSc1nnc(N2CCOCC2)s1)c1ccc([O-])c(O)c1	ZINC000063128995	522559476	/nfs/dbraw/zinc/55/94/76/522559476.db2.gz	OZXDTDBUINWEAG-UHFFFAOYSA-N	-1	1	353.425	1.761	20	10		FDCDMM
CO[C@@H](C(=O)NCc1cccc(Br)c1[O-])c1cnn(C)c1	ZINC000282265766	537294957	/nfs/dbraw/zinc/29/49/57/537294957.db2.gz	JKMJHPWBPOGOMT-CYBMUJFWSA-N	-1	1	354.204	1.892	20	10		FDCDMM
COc1c([O-])c(CN([C@@H](C)CS(C)(=O)=O)C2CC2)ccc1[N+](=O)[O-]	ZINC000278314531	537296812	/nfs/dbraw/zinc/29/68/12/537296812.db2.gz	XDWIIFKLRXHYBR-JTQLQIEISA-N	-1	1	358.416	1.707	20	10		FDCDMM
COc1ccc(N2CCN(C(=O)c3ccc(-c4nnn[n-]4)nc3)CC2)cc1	ZINC000737099718	598980339	/nfs/dbraw/zinc/98/03/39/598980339.db2.gz	PPTNIJAXPJDTEZ-UHFFFAOYSA-N	-1	1	365.397	1.233	20	10		FDCDMM
COc1ccc(N2CCN(C(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)cc1	ZINC000737099718	598980341	/nfs/dbraw/zinc/98/03/41/598980341.db2.gz	PPTNIJAXPJDTEZ-UHFFFAOYSA-N	-1	1	365.397	1.233	20	10		FDCDMM
CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@H+](C)[C@H](C)C(=O)[O-])c1	ZINC000817723539	597480119	/nfs/dbraw/zinc/48/01/19/597480119.db2.gz	QHXHOCQRVANXIZ-GFCCVEGCSA-N	-1	1	350.415	1.332	20	10		FDCDMM
COc1ccc(N2CCN(C(=O)CN[C@H](C(=O)[O-])C(C)(C)C)CC2)cc1	ZINC000832383862	602224893	/nfs/dbraw/zinc/22/48/93/602224893.db2.gz	OVFUXUTUODBNTQ-QGZVFWFLSA-N	-1	1	363.458	1.433	20	10		FDCDMM
O=C([O-])N1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3[O-])C2)CC1	ZINC000834114390	605565248	/nfs/dbraw/zinc/56/52/48/605565248.db2.gz	BIGLSFBHHZEJMY-AWEZNQCLSA-N	-1	1	365.405	1.566	20	10		FDCDMM
CS(=O)(=O)CCCC(=O)NCc1cccc(Br)c1[O-]	ZINC000277545206	674964385	/nfs/dbraw/zinc/96/43/85/674964385.db2.gz	NPMNZQZXQUGCJN-UHFFFAOYSA-N	-1	1	350.234	1.596	20	10		FDCDMM
O=C(c1ccsc1)N1CCN(C(=O)c2c(F)ccc(O)c2[O-])CC1	ZINC000294919917	676398528	/nfs/dbraw/zinc/39/85/28/676398528.db2.gz	SYDIRVQGTFWIFQ-UHFFFAOYSA-N	-1	1	350.371	1.897	20	10		FDCDMM
COc1c([O-])c(CN2CCOC[C@@H]2[C@H]2CCCC2=O)ccc1[N+](=O)[O-]	ZINC000377387910	678532917	/nfs/dbraw/zinc/53/29/17/678532917.db2.gz	WTZINERYIUTJNV-TZMCWYRMSA-N	-1	1	350.371	1.879	20	10		FDCDMM
O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NCc1cccc(Cl)c1[O-]	ZINC000890757201	771585310	/nfs/dbraw/zinc/58/53/10/771585310.db2.gz	KQUBIUZYSJFDLQ-RYUDHWBXSA-N	-1	1	350.802	1.837	20	10		FDCDMM
C[C@H](C(=O)NCc1cccc(Cl)c1[O-])N1C(=O)NC2(CCCC2)C1=O	ZINC000890757779	771587530	/nfs/dbraw/zinc/58/75/30/771587530.db2.gz	LKSKCABYKFWMCD-SNVBAGLBSA-N	-1	1	365.817	1.915	20	10		FDCDMM
O=C(NCc1cccc(Cl)c1[O-])[C@H]1COCCN1CC(F)(F)F	ZINC000890759218	771603504	/nfs/dbraw/zinc/60/35/04/771603504.db2.gz	GWWJYURDDBMKNZ-LLVKDONJSA-N	-1	1	352.740	1.925	20	10		FDCDMM
CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NCc2n[nH]c(=O)[n-]2)C1	ZINC000683490153	772023869	/nfs/dbraw/zinc/02/38/69/772023869.db2.gz	AROZVZSFIRHDGO-UHFFFAOYSA-N	-1	1	368.441	1.548	20	10		FDCDMM
O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)c1c(F)ccc(O)c1[O-]	ZINC000279104892	808359831	/nfs/dbraw/zinc/35/98/31/808359831.db2.gz	BDZVGCQDGRRJRS-CQSZACIVSA-N	-1	1	360.385	1.868	20	10		FDCDMM
CN(CCS(N)(=O)=O)Cc1cc(Cl)cc(Br)c1[O-]	ZINC000895475851	822619162	/nfs/dbraw/zinc/61/91/62/822619162.db2.gz	BCPAINJRFFCLRO-UHFFFAOYSA-N	-1	1	357.657	1.528	20	10		FDCDMM
Cc1cc(CC(=O)N2CCOC[C@H]2c2nn[n-]n2)c(C)n1-c1ccccc1	ZINC000913499960	862279386	/nfs/dbraw/zinc/27/93/86/862279386.db2.gz	TYNWFVDCJVKIMH-KRWDZBQOSA-N	-1	1	366.425	1.750	20	10		FDCDMM
Cc1cc(O)c(C[NH2+]CCS(=O)(=O)N=S(C)(C)=O)c(Cl)c1	ZINC000922493189	878358334	/nfs/dbraw/zinc/35/83/34/878358334.db2.gz	MQZOOCJKEAPTIC-UHFFFAOYSA-N	-1	1	354.881	1.501	20	10		FDCDMM
COc1ccc(CCNC=C2C(=O)[N-]C(=S)N(CC(C)C)C2=O)cc1	ZINC000920976130	887360422	/nfs/dbraw/zinc/36/04/22/887360422.db2.gz	PYNMIEDJLAUPDC-XNTDXEJSSA-N	-1	1	361.467	1.611	20	10		FDCDMM
CCc1nncn1CCNC(=O)NCc1cccc(Br)c1[O-]	ZINC000764792912	905697375	/nfs/dbraw/zinc/69/73/75/905697375.db2.gz	ZLFKAHNSPHZGJR-UHFFFAOYSA-N	-1	1	368.235	1.808	20	10		FDCDMM
CCC(=O)N1CC[C@H](NC(=O)NCc2cccc(Br)c2[O-])C1	ZINC000764799064	905701079	/nfs/dbraw/zinc/70/10/79/905701079.db2.gz	YXOXPVZDISDAEJ-NSHDSACASA-N	-1	1	370.247	1.965	20	10		FDCDMM
CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)NCc1cccc(Br)c1[O-]	ZINC000764799889	905701243	/nfs/dbraw/zinc/70/12/43/905701243.db2.gz	MWBLFCIWIIVCSJ-PWSUYJOCSA-N	-1	1	370.247	1.869	20	10		FDCDMM
CNC(=O)[C@H]1CCC[C@@H]1NC(=O)NCc1cccc(Br)c1[O-]	ZINC000764799887	905701277	/nfs/dbraw/zinc/70/12/77/905701277.db2.gz	MWBLFCIWIIVCSJ-JQWIXIFHSA-N	-1	1	370.247	1.869	20	10		FDCDMM
Cn1[n-]c(COC(=O)c2cccc3c2C(=O)c2ccccc2C3=O)nc1=O	ZINC000765392799	906948666	/nfs/dbraw/zinc/94/86/66/906948666.db2.gz	LIAUJBRBMFYDQC-UHFFFAOYSA-N	-1	1	363.329	1.241	20	10		FDCDMM
Cn1cc([N+](=O)[O-])c(C(=O)NCc2cccc(Br)c2[O-])n1	ZINC000765745983	908623176	/nfs/dbraw/zinc/62/31/76/908623176.db2.gz	BGLKNGLCNHDCCN-UHFFFAOYSA-N	-1	1	355.148	1.726	20	10		FDCDMM
O=C(COC(=O)c1cnnn1-c1cccc(F)c1)c1ccc([O-])c(O)c1	ZINC000789105240	932937179	/nfs/dbraw/zinc/93/71/79/932937179.db2.gz	UZNVQSHVXMBOAU-UHFFFAOYSA-N	-1	1	357.297	1.857	20	10		FDCDMM
COc1ccc(N2CC[C@H](CNC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)C2)cc1	ZINC000819588668	943637284	/nfs/dbraw/zinc/63/72/84/943637284.db2.gz	NNIDBJYDYZUFHE-GFCCVEGCSA-N	-1	1	372.381	1.960	20	10		FDCDMM
CCOC(=O)C1=C(O)CCN(C(=O)c2cc(=O)n(-c3ccccc3)[n-]2)CC1	ZINC001147885758	952557673	/nfs/dbraw/zinc/55/76/73/952557673.db2.gz	ZVPPFZJEFMAJPX-CQSZACIVSA-N	-1	1	371.393	1.150	20	10		FDCDMM
O=C(CNC(=O)c1cnn(Cc2cccnc2)c1)c1ccc([O-])c(O)c1	ZINC001197503576	972286186	/nfs/dbraw/zinc/28/61/86/972286186.db2.gz	FDLRGIBZIJIFSW-UHFFFAOYSA-N	-1	1	352.350	1.350	20	10		FDCDMM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2cccc3cnncc32)c1	ZINC000774175444	961796371	/nfs/dbraw/zinc/79/63/71/961796371.db2.gz	BZCRIXOMMHGTCD-UHFFFAOYSA-N	-1	1	358.379	1.959	20	10		FDCDMM
Cc1ncn(C)c1NC(=O)CN(C)Cc1cc2c(C)cc(=O)oc2cc1[O-]	ZINC001184357336	963540160	/nfs/dbraw/zinc/54/01/60/963540160.db2.gz	XWDQPROCYBYSJJ-UHFFFAOYSA-N	-1	1	370.409	1.919	20	10		FDCDMM
COc1c([O-])c(CN2CCN(Cc3nccn3C)CC2)ccc1[N+](=O)[O-]	ZINC000774877110	963938825	/nfs/dbraw/zinc/93/88/25/963938825.db2.gz	HTWHCMOKMGTQHC-UHFFFAOYSA-N	-1	1	361.402	1.360	20	10		FDCDMM
O=S(=O)(Nc1cc(F)c([O-])cc1F)c1ccc(-c2nn[nH]n2)cc1	ZINC001185604105	964000564	/nfs/dbraw/zinc/00/05/64/964000564.db2.gz	AOSCOVJUXSUQGY-UHFFFAOYSA-N	-1	1	353.310	1.651	20	10		FDCDMM
Cc1cc(C(=O)NCC(=O)c2ccc([O-])c(O)c2)ccc1N1CCOCC1	ZINC001185912174	964216921	/nfs/dbraw/zinc/21/69/21/964216921.db2.gz	YXEYPTZYYTVYAO-UHFFFAOYSA-N	-1	1	370.405	1.856	20	10		FDCDMM
COC(=O)c1cc(F)ccc1S(=O)(=O)Nc1ccc(O)cc1C(=O)[O-]	ZINC000776434196	977500967	/nfs/dbraw/zinc/50/09/67/977500967.db2.gz	ADKNXULYYITIIL-UHFFFAOYSA-N	-1	1	369.326	1.817	20	10		FDCDMM
CCN(CC)c1ccc(C[N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])cc1	ZINC000858908909	982365168	/nfs/dbraw/zinc/36/51/68/982365168.db2.gz	FPGNLHPRNMJPPB-UHFFFAOYSA-N	-1	1	367.431	1.653	20	10		FDCDMM
Cc1onc(CC(=O)NCc2ccc(N(C)C)c(F)c2)c1-c1nnn[n-]1	ZINC000826347942	982436185	/nfs/dbraw/zinc/43/61/85/982436185.db2.gz	MULILAYROOFKBA-UHFFFAOYSA-N	-1	1	359.365	1.227	20	10		FDCDMM
Cc1onc(CC(=O)NCc2ccc(N(C)C)c(F)c2)c1-c1nn[n-]n1	ZINC000826347942	982436189	/nfs/dbraw/zinc/43/61/89/982436189.db2.gz	MULILAYROOFKBA-UHFFFAOYSA-N	-1	1	359.365	1.227	20	10		FDCDMM
Cc1cc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)n(C2CCOCC2)n1	ZINC000859996905	983153537	/nfs/dbraw/zinc/15/35/37/983153537.db2.gz	HELLNVNOJCKPNB-UHFFFAOYSA-N	-1	1	360.366	1.994	20	10		FDCDMM
COCCn1nnc2c1CCN(Cc1ccc([N+](=O)[O-])c(OC)c1[O-])C2	ZINC000293607941	988130857	/nfs/dbraw/zinc/13/08/57/988130857.db2.gz	JTCSCEHIXGTSHK-UHFFFAOYSA-N	-1	1	363.374	1.105	20	10		FDCDMM
COc1c([O-])c(CN2CC(n3cc(C(C)(C)O)nn3)C2)ccc1[N+](=O)[O-]	ZINC000373907661	992514557	/nfs/dbraw/zinc/51/45/57/992514557.db2.gz	GIINXWHCVFGTAG-UHFFFAOYSA-N	-1	1	363.374	1.185	20	10		FDCDMM
O=C(NCCO[C@@H]1CCOC1)NCc1cccc(Br)c1[O-]	ZINC000927520771	1000885721	/nfs/dbraw/zinc/88/57/21/1000885721.db2.gz	FGQHTUVRRNUHNB-LLVKDONJSA-N	-1	1	359.220	1.759	20	10		FDCDMM
CCNS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(O)cc1F	ZINC000777648173	1001082439	/nfs/dbraw/zinc/08/24/39/1001082439.db2.gz	LPRKZMBXJZDRMV-UHFFFAOYSA-N	-1	1	374.415	1.630	20	10		FDCDMM
CC[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C[C@@H](C)S1(=O)=O	ZINC000289875098	537613224	/nfs/dbraw/zinc/61/32/24/537613224.db2.gz	RPIACDVDBFGKTC-ZYHUDNBSSA-N	-1	1	358.416	1.707	20	10		FDCDMM
CC[C@H]1CN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C[C@@H](C)S1(=O)=O	ZINC000289875097	537613318	/nfs/dbraw/zinc/61/33/18/537613318.db2.gz	RPIACDVDBFGKTC-PWSUYJOCSA-N	-1	1	358.416	1.707	20	10		FDCDMM
COc1ccc(N2CCN(CCCNC(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)cc1	ZINC000738024058	600106345	/nfs/dbraw/zinc/10/63/45/600106345.db2.gz	XUOVSIIKOXATJQ-DLBZAZTESA-N	-1	1	361.442	1.044	20	10		FDCDMM
CC[N@H+](CCC(=O)N(C)CC(=O)[O-])Cc1cc(Br)ccc1[O-]	ZINC000829697761	600856927	/nfs/dbraw/zinc/85/69/27/600856927.db2.gz	ZYDANWMBNCRNRB-UHFFFAOYSA-N	-1	1	373.247	1.910	20	10		FDCDMM
CC[N@@H+](CCC(=O)N(C)CC(=O)[O-])Cc1cc(Br)ccc1[O-]	ZINC000829697761	600856929	/nfs/dbraw/zinc/85/69/29/600856929.db2.gz	ZYDANWMBNCRNRB-UHFFFAOYSA-N	-1	1	373.247	1.910	20	10		FDCDMM
CCc1nc([C@@H]2CN(c3ccc(C=CC(=O)[O-])cc3[N+](=O)[O-])CCO2)n[nH]1	ZINC000830304628	604273723	/nfs/dbraw/zinc/27/37/23/604273723.db2.gz	SSHTVGCNJKVKLH-YVZNUBBCSA-N	-1	1	373.369	1.951	20	10		FDCDMM
O=C([O-])N1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3[O-])C2)CC1	ZINC000834114392	605565038	/nfs/dbraw/zinc/56/50/38/605565038.db2.gz	BIGLSFBHHZEJMY-CQSZACIVSA-N	-1	1	365.405	1.566	20	10		FDCDMM
OCC1CCN(c2ccc(CNc3ccc(-c4nnn[n-]4)nn3)cc2)CC1	ZINC000826509479	607989477	/nfs/dbraw/zinc/98/94/77/607989477.db2.gz	WQBRYIAGYAUJBM-UHFFFAOYSA-N	-1	1	366.429	1.478	20	10		FDCDMM
OCC1CCN(c2ccc(CNc3ccc(-c4nn[n-]n4)nn3)cc2)CC1	ZINC000826509479	607989478	/nfs/dbraw/zinc/98/94/78/607989478.db2.gz	WQBRYIAGYAUJBM-UHFFFAOYSA-N	-1	1	366.429	1.478	20	10		FDCDMM
COCCn1ccc(C(=O)NCc2cccc(Br)c2[O-])n1	ZINC000277429581	674941176	/nfs/dbraw/zinc/94/11/76/674941176.db2.gz	DMLKYWVGPHYZDV-UHFFFAOYSA-N	-1	1	354.204	1.928	20	10		FDCDMM
CO[C@@H]1COC[C@H]1n1cc(CN[C@@H](C)c2ccc(F)c(F)c2[O-])nn1	ZINC000289618943	676159203	/nfs/dbraw/zinc/15/92/03/676159203.db2.gz	DMBBGZVTLKLCMF-CUOATXAZSA-N	-1	1	354.357	1.699	20	10		FDCDMM
C[C@@]1(C2CC2)NC(=O)N(CC(=O)NCc2cccc(Cl)c2[O-])C1=O	ZINC000890757715	771587010	/nfs/dbraw/zinc/58/70/10/771587010.db2.gz	JBAPQPYJSCWBJA-INIZCTEOSA-N	-1	1	351.790	1.382	20	10		FDCDMM
CN1CCN(c2ccc(CNc3cccc(S(=O)(=O)[O-])n3)cc2)CC1	ZINC001167426867	774585601	/nfs/dbraw/zinc/58/56/01/774585601.db2.gz	MIDNJZLIRBZVNP-UHFFFAOYSA-N	-1	1	362.455	1.692	20	10		FDCDMM
C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2cc(OC)ccc2O)o1	ZINC000728978050	810887943	/nfs/dbraw/zinc/88/79/43/810887943.db2.gz	LACIGQZKEFICRF-VIFPVBQESA-N	-1	1	354.384	1.393	20	10		FDCDMM
COCCO[C@@H]1COCC[C@H]1NC(=O)NCc1cccc(Cl)c1[O-]	ZINC000894301501	815760776	/nfs/dbraw/zinc/76/07/76/815760776.db2.gz	NILMSYVDZFCUJF-ZIAGYGMSSA-N	-1	1	358.822	1.665	20	10		FDCDMM
[O-]c1c(Br)cc(Cl)cc1CN1CCC(CO)(CO)C1	ZINC000895311515	822463873	/nfs/dbraw/zinc/46/38/73/822463873.db2.gz	AQNZYWDXKGIIDK-UHFFFAOYSA-N	-1	1	350.640	1.985	20	10		FDCDMM
C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)C1	ZINC000898859310	845340369	/nfs/dbraw/zinc/34/03/69/845340369.db2.gz	DQSJMZJHFWPZKJ-WBVHZDCISA-N	-1	1	374.485	1.691	20	10		FDCDMM
C[C@@]12CCC(=O)N1[C@H](C(=O)OCC(=O)c1ccc([O-])c(O)c1)CS2	ZINC000916599447	881804072	/nfs/dbraw/zinc/80/40/72/881804072.db2.gz	PYIBVFZSIGKORU-MGPLVRAMSA-N	-1	1	351.380	1.278	20	10		FDCDMM
CN1CCN(c2ccc(CNC(=O)c3ccc4oc(=O)nc-4[n-]3)cc2)CC1	ZINC000918852731	884970598	/nfs/dbraw/zinc/97/05/98/884970598.db2.gz	WYFVLHOGGFQRRE-UHFFFAOYSA-N	-1	1	367.409	1.610	20	10		FDCDMM
Cn1cc(NC(=O)C(=O)NCc2cccc(Br)c2[O-])cn1	ZINC000765903352	897235145	/nfs/dbraw/zinc/23/51/45/897235145.db2.gz	JWVRWJFCJWZMIH-UHFFFAOYSA-N	-1	1	353.176	1.143	20	10		FDCDMM
O=C(CNC(=O)c1cccnc1)NCc1cccc(Br)c1[O-]	ZINC000765737765	908502935	/nfs/dbraw/zinc/50/29/35/908502935.db2.gz	ZICZSVGNMWRVLU-UHFFFAOYSA-N	-1	1	364.199	1.596	20	10		FDCDMM
Cc1cc(O)cc(=O)n1CC(=O)NCc1cccc(Br)c1[O-]	ZINC000765758345	908989864	/nfs/dbraw/zinc/98/98/64/908989864.db2.gz	VNPFWTYGKBATOW-UHFFFAOYSA-N	-1	1	367.199	1.647	20	10		FDCDMM
CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(O)cc2C)c1	ZINC000740706403	925425843	/nfs/dbraw/zinc/42/58/43/925425843.db2.gz	YVIVVJDLSWQPRQ-UHFFFAOYSA-N	-1	1	356.425	1.410	20	10		FDCDMM
COc1cc(S(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)cnc1Cl	ZINC000767468310	929286611	/nfs/dbraw/zinc/28/66/11/929286611.db2.gz	CFQXVSUCHWIHCP-UHFFFAOYSA-N	-1	1	358.759	1.948	20	10		FDCDMM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2nccc3ccncc32)c1	ZINC000788163702	932591514	/nfs/dbraw/zinc/59/15/14/932591514.db2.gz	JXWOHDOXSLVXTQ-UHFFFAOYSA-N	-1	1	358.379	1.959	20	10		FDCDMM
NC(=O)c1cc2c([nH]c1=O)CCC[C@H]2NC(=O)c1c(F)ccc(O)c1[O-]	ZINC000790069378	933330435	/nfs/dbraw/zinc/33/04/35/933330435.db2.gz	ASTFLVVBUWPCJE-LLVKDONJSA-N	-1	1	361.329	1.244	20	10		FDCDMM
O=C(COC(=O)[C@@]1(c2ccccc2)CNC(=O)C1)c1ccc([O-])c(O)c1	ZINC000811236601	941110227	/nfs/dbraw/zinc/11/02/27/941110227.db2.gz	ORVFCVPPJSSMNS-LJQANCHMSA-N	-1	1	355.346	1.282	20	10		FDCDMM
COc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1[N-]S(C)(=O)=O	ZINC001136149817	943280814	/nfs/dbraw/zinc/28/08/14/943280814.db2.gz	ZYGLXLOZLVDOFH-UHFFFAOYSA-N	-1	1	366.395	1.659	20	10		FDCDMM
COc1ccccc1-n1cnc(C(=O)NCC(=O)c2ccc([O-])c(O)c2)c1	ZINC001195822394	971259767	/nfs/dbraw/zinc/25/97/67/971259767.db2.gz	PIASBWLANCCGOI-UHFFFAOYSA-N	-1	1	367.361	1.905	20	10		FDCDMM
O=C([O-])[C@H]1CC(=O)N(C2CC[NH+](Cc3cc(Cl)ccc3[O-])CC2)C1	ZINC000844935629	948516402	/nfs/dbraw/zinc/51/64/02/948516402.db2.gz	RGKYUJZOKHIKRK-LBPRGKRZSA-N	-1	1	352.818	1.943	20	10		FDCDMM
CC(C)(NCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)C(=O)[O-]	ZINC001602953885	971931934	/nfs/dbraw/zinc/93/19/34/971931934.db2.gz	WPVZVRKXSGEDKY-UHFFFAOYSA-N	-1	1	366.373	1.853	20	10		FDCDMM
O=C(CCc1nc(-c2cccnc2)no1)NCC(=O)c1ccc([O-])c(O)c1	ZINC001176788309	963542703	/nfs/dbraw/zinc/54/27/03/963542703.db2.gz	MJWNDEFDFODYSA-UHFFFAOYSA-N	-1	1	368.349	1.475	20	10		FDCDMM
COc1c([O-])c(CN2CCN(C(=O)C(C)(C)C)CC2)ccc1[N+](=O)[O-]	ZINC000774835900	963840776	/nfs/dbraw/zinc/84/07/76/963840776.db2.gz	GWWHYHOXCZAACF-UHFFFAOYSA-N	-1	1	351.403	1.999	20	10		FDCDMM
O=C(CNS(=O)(=O)c1cccnc1)NCc1cccc(Cl)c1[O-]	ZINC001180420595	965324207	/nfs/dbraw/zinc/32/42/07/965324207.db2.gz	MMWOTCLLNWXXNB-UHFFFAOYSA-N	-1	1	355.803	1.035	20	10		FDCDMM
O=C(Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O)c1cc(O)c(O)c(Cl)c1	ZINC001193626294	969774191	/nfs/dbraw/zinc/77/41/91/969774191.db2.gz	YHANPTGJJVPCQI-UHFFFAOYSA-N	-1	1	368.754	1.436	20	10		FDCDMM
O=C([O-])CN1CCCC[C@@H]([NH2+]Cc2c([O-])cccc2Br)C1=O	ZINC001606258665	973613217	/nfs/dbraw/zinc/61/32/17/973613217.db2.gz	GKSSKSYMPHRXDK-GFCCVEGCSA-N	-1	1	371.231	1.710	20	10		FDCDMM
O=C(CCc1nn[n-]n1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	ZINC000866139193	975427506	/nfs/dbraw/zinc/42/75/06/975427506.db2.gz	VZPYLKHBMMEPIA-LLVKDONJSA-N	-1	1	366.372	1.519	20	10		FDCDMM
COc1ccc(N2CC[C@H]([N-]S(=O)(=O)c3ccc(F)nc3F)C2)cc1	ZINC000867496825	976254429	/nfs/dbraw/zinc/25/44/29/976254429.db2.gz	IAZJIHCNXIFUHP-NSHDSACASA-N	-1	1	369.393	1.926	20	10		FDCDMM
C[C@@H]1COCC[C@H]1S(=O)(=O)NCc1cccc(Br)c1[O-]	ZINC000882131674	980439290	/nfs/dbraw/zinc/43/92/90/980439290.db2.gz	KAMXLHATAACDAT-BXKDBHETSA-N	-1	1	364.261	1.999	20	10		FDCDMM
Cc1onc(CC(=O)N2CCOc3cc(N(C)C)ccc32)c1-c1nnn[n-]1	ZINC000826345487	982425126	/nfs/dbraw/zinc/42/51/26/982425126.db2.gz	LZUHTPVYFTZKFF-UHFFFAOYSA-N	-1	1	369.385	1.197	20	10		FDCDMM
Cc1onc(CC(=O)N2CCOc3cc(N(C)C)ccc32)c1-c1nn[n-]n1	ZINC000826345487	982425129	/nfs/dbraw/zinc/42/51/29/982425129.db2.gz	LZUHTPVYFTZKFF-UHFFFAOYSA-N	-1	1	369.385	1.197	20	10		FDCDMM
COC(=O)[C@@H]1CC[C@H](C(=O)NCc2cccc(Br)c2[O-])O1	ZINC000861332676	983687620	/nfs/dbraw/zinc/68/76/20/983687620.db2.gz	OPMDCNMRZHEODL-MNOVXSKESA-N	-1	1	358.188	1.492	20	10		FDCDMM
O=C(COc1ccccc1)N1CC[C@H](NC(=O)c2c(F)ccc(O)c2[O-])C1	ZINC000296171867	989009981	/nfs/dbraw/zinc/00/99/81/989009981.db2.gz	UYIJNLCXXWOLCN-LBPRGKRZSA-N	-1	1	374.368	1.647	20	10		FDCDMM
COc1c([O-])c(CN2CCN(c3ccc(=O)[nH]n3)CC2)ccc1[N+](=O)[O-]	ZINC000373208100	992005356	/nfs/dbraw/zinc/00/53/56/992005356.db2.gz	GLSADDBLFNSYCG-UHFFFAOYSA-N	-1	1	361.358	1.127	20	10		FDCDMM
CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCCOCC(=O)[O-])C1	ZINC001591634711	992941266	/nfs/dbraw/zinc/94/12/66/992941266.db2.gz	CGJSFENCXOUKET-UHFFFAOYSA-N	-1	1	373.453	1.625	20	10		FDCDMM
CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@@](C)(CO)C(=O)[O-])C1	ZINC001591635000	992943373	/nfs/dbraw/zinc/94/33/73/992943373.db2.gz	JEGNGJMKGHCEKL-FQEVSTJZSA-N	-1	1	373.453	1.360	20	10		FDCDMM
CN1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@H](C(=O)[O-])C1	ZINC001598609403	993737802	/nfs/dbraw/zinc/73/78/02/993737802.db2.gz	CAPIWIFRYSEKRQ-SNVBAGLBSA-N	-1	1	350.396	1.401	20	10		FDCDMM
COC(=O)[C@H]1C[N@@H+](Cc2cc(C)cc(Br)c2[O-])C[C@H]1C(=O)[O-]	ZINC001598829084	996416898	/nfs/dbraw/zinc/41/68/98/996416898.db2.gz	RMZYWEXLCNUCPT-MNOVXSKESA-N	-1	1	372.215	1.769	20	10		FDCDMM
CN1CCN(c2ccc(CNC(=O)[C@H]3CC=CC[C@H]3C(=O)[O-])cc2)CC1	ZINC000887313939	997153111	/nfs/dbraw/zinc/15/31/11/997153111.db2.gz	OJIPNZCJASEQCZ-ZWKOTPCHSA-N	-1	1	357.454	1.722	20	10		FDCDMM
COc1cc(Br)cc(CN2C[C@H](O)C[C@H](C(=O)[O-])C2)c1O	ZINC001599346331	998013675	/nfs/dbraw/zinc/01/36/75/998013675.db2.gz	FYBNKGCGIQIOAX-GXSJLCMTSA-N	-1	1	360.204	1.431	20	10		FDCDMM
CC(=O)c1cc(Cl)cc(CN2CCN(CC(=O)NC3CC3)CC2)c1[O-]	ZINC000177236299	525259928	/nfs/dbraw/zinc/25/99/28/525259928.db2.gz	PUDYPFVVYZOFAB-UHFFFAOYSA-N	-1	1	365.861	1.644	20	10		FDCDMM
C[C@H](CN(C)C(=O)C=Cc1ccc(N2CCOCC2)cc1)c1nn[n-]n1	ZINC000183406158	535975745	/nfs/dbraw/zinc/97/57/45/535975745.db2.gz	JZECQHRMPXWDCB-LHRNQBEKSA-N	-1	1	356.430	1.312	20	10		FDCDMM
O=C(NCCC1(O)CCOCC1)NCc1cccc(Br)c1[O-]	ZINC000287199591	537440815	/nfs/dbraw/zinc/44/08/15/537440815.db2.gz	DJCDMGDGUCZZGU-UHFFFAOYSA-N	-1	1	373.247	1.886	20	10		FDCDMM
C[C@H]1CN(c2ccc(CNC(=O)c3c(F)ccc(O)c3[O-])cn2)CCO1	ZINC000276491553	537546655	/nfs/dbraw/zinc/54/66/55/537546655.db2.gz	AREBQBMAZJUSQK-NSHDSACASA-N	-1	1	361.373	1.787	20	10		FDCDMM
Cc1ccc(C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c(O)c1O	ZINC000291825398	537681447	/nfs/dbraw/zinc/68/14/47/537681447.db2.gz	FJKVMMVMAHRHIF-SNVBAGLBSA-N	-1	1	360.332	1.937	20	10		FDCDMM
Cc1cc(N(C)C)ccc1CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1	ZINC000737271868	599085357	/nfs/dbraw/zinc/08/53/57/599085357.db2.gz	XZFHSEVXBYSXCG-UHFFFAOYSA-N	-1	1	373.442	1.115	20	10		FDCDMM
Cc1cc(N(C)C)ccc1CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1	ZINC000737271868	599085359	/nfs/dbraw/zinc/08/53/59/599085359.db2.gz	XZFHSEVXBYSXCG-UHFFFAOYSA-N	-1	1	373.442	1.115	20	10		FDCDMM
CCN1CCN(c2ccc(CNC(=O)CSCC(=O)[O-])cc2F)CC1	ZINC000739455552	597093106	/nfs/dbraw/zinc/09/31/06/597093106.db2.gz	KIJOXAUIEIEITP-UHFFFAOYSA-N	-1	1	369.462	1.402	20	10		FDCDMM
CN(Cc1ccc(N2CCOCC2)cc1)c1nccnc1-c1nnn[n-]1	ZINC000736819124	598338726	/nfs/dbraw/zinc/33/87/26/598338726.db2.gz	IJCBSQQKQKYDQM-UHFFFAOYSA-N	-1	1	352.402	1.130	20	10		FDCDMM
CN(Cc1ccc(N2CCOCC2)cc1)c1nccnc1-c1nn[n-]n1	ZINC000736819124	598338728	/nfs/dbraw/zinc/33/87/28/598338728.db2.gz	IJCBSQQKQKYDQM-UHFFFAOYSA-N	-1	1	352.402	1.130	20	10		FDCDMM
CCN1CCN(c2ccc(CNC(=O)[C@H](C)CC(=O)[O-])cc2F)CC1	ZINC000829781488	602151902	/nfs/dbraw/zinc/15/19/02/602151902.db2.gz	YGIVBPHDRFNLJF-CYBMUJFWSA-N	-1	1	351.422	1.695	20	10		FDCDMM
CN(C)c1ccc([C@@H](CNC(=O)c2[nH]nc3c2CCC3)NC(=O)[O-])cc1	ZINC000828064366	603026611	/nfs/dbraw/zinc/02/66/11/603026611.db2.gz	QARQSQRBEJZQFJ-OAHLLOKOSA-N	-1	1	357.414	1.703	20	10		FDCDMM
CN(C)c1ccc([C@H](CNC(=O)c2ccc3[nH]nnc3c2)NC(=O)[O-])cc1	ZINC000828064604	603034987	/nfs/dbraw/zinc/03/49/87/603034987.db2.gz	ULPYPTMQCDCKQR-INIZCTEOSA-N	-1	1	368.397	1.763	20	10		FDCDMM
CCN(CC(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1)C(=O)[O-]	ZINC000739454681	603390367	/nfs/dbraw/zinc/39/03/67/603390367.db2.gz	FWOANUDRBTXMES-UHFFFAOYSA-N	-1	1	366.437	1.584	20	10		FDCDMM
O=C1Nc2cc(Cl)c([N+](=O)[O-])cc2C1=CC1=S=CC(c2nn[n-]n2)=C1	ZINC000823547906	606306836	/nfs/dbraw/zinc/30/68/36/606306836.db2.gz	QGNDUWHACJAHDC-MBXJOHMKSA-N	-1	1	374.769	1.902	20	10		FDCDMM
CC(C)CS(=O)(=O)CC(=O)NCc1cccc(Br)c1[O-]	ZINC000277543405	674963973	/nfs/dbraw/zinc/96/39/73/674963973.db2.gz	NONXGFCNWMAFLE-UHFFFAOYSA-N	-1	1	364.261	1.842	20	10		FDCDMM
COC(=O)c1coc(S(=O)(=O)[N-]Cc2ccc(N(C)C)cc2C)c1	ZINC000153205661	671897477	/nfs/dbraw/zinc/89/74/77/671897477.db2.gz	WJVBODSAZCNJSX-UHFFFAOYSA-N	-1	1	352.412	1.919	20	10		FDCDMM
C[S@](=O)C1(CNC(=O)NCc2cccc(Br)c2[O-])CC1	ZINC000282125005	675601763	/nfs/dbraw/zinc/60/17/63/675601763.db2.gz	GOWPLNVWDNLCNP-FQEVSTJZSA-N	-1	1	361.261	1.865	20	10		FDCDMM
CCn1nncc1CNC(=O)NCc1cccc(Br)c1[O-]	ZINC000528067310	694699327	/nfs/dbraw/zinc/69/93/27/694699327.db2.gz	YPYQELGSMWHWRK-UHFFFAOYSA-N	-1	1	354.208	1.766	20	10		FDCDMM
CC(=O)c1cc(Cl)cc(CN2CCN(S(=O)(=O)C3CC3)CC2)c1[O-]	ZINC000528613142	694737434	/nfs/dbraw/zinc/73/74/34/694737434.db2.gz	SJTMKDKURFQBAW-UHFFFAOYSA-N	-1	1	372.874	1.858	20	10		FDCDMM
O=C(CCCS(=O)(=O)N1CCCC1)OCC(=O)c1ccc([O-])c(O)c1	ZINC000783083508	793574555	/nfs/dbraw/zinc/57/45/55/793574555.db2.gz	BPQBCLACTXUXEP-UHFFFAOYSA-N	-1	1	371.411	1.030	20	10		FDCDMM
O=C([O-])c1cc(S(=O)(=O)Nc2ccc3c(c2)OCO3)ccc1[N+](=O)[O-]	ZINC000760338363	839841151	/nfs/dbraw/zinc/84/11/51/839841151.db2.gz	RVCZDHPRSLQHCV-UHFFFAOYSA-N	-1	1	366.307	1.823	20	10		FDCDMM
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@]1(C(=O)[O-])CNCCO1	ZINC000911632412	858867344	/nfs/dbraw/zinc/86/73/44/858867344.db2.gz	HBKCSOZBWSXVGO-LJQANCHMSA-N	-1	1	361.442	1.079	20	10		FDCDMM
NC(=O)N1CCC[C@H](C(=O)NCc2cccc(Br)c2[O-])C1	ZINC000765757567	908873075	/nfs/dbraw/zinc/87/30/75/908873075.db2.gz	QOPDTPLMQNOMHJ-JTQLQIEISA-N	-1	1	356.220	1.562	20	10		FDCDMM
NC(=O)c1cccc(C(=O)NCc2cccc(Br)c2[O-])n1	ZINC000765764041	909144187	/nfs/dbraw/zinc/14/41/87/909144187.db2.gz	GBWYVDSJYSQHQS-UHFFFAOYSA-N	-1	1	350.172	1.579	20	10		FDCDMM
COc1ccc(NC(=S)NNc2nc(=O)c3cnn(C)c3[n-]2)cc1F	ZINC000769793784	929682294	/nfs/dbraw/zinc/68/22/94/929682294.db2.gz	NCLWKDHTWIYASW-UHFFFAOYSA-N	-1	1	363.378	1.530	20	10		FDCDMM
CS(=O)(=O)Nc1ccc([O-])c(-c2nc(-c3cnc4cnccn43)no2)c1	ZINC000771544791	930703786	/nfs/dbraw/zinc/70/37/86/930703786.db2.gz	RNMOSZZYVSFSRT-UHFFFAOYSA-N	-1	1	372.366	1.523	20	10		FDCDMM
Cc1cc(F)cc2c1S(=O)(=O)N(CC(=O)c1ccc([O-])c(O)c1)C2=O	ZINC000804916917	938606281	/nfs/dbraw/zinc/60/62/81/938606281.db2.gz	IBDWTTJGASRQCF-UHFFFAOYSA-N	-1	1	365.338	1.573	20	10		FDCDMM
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1coc(S(=O)(=O)[N-]C)c1	ZINC000808094702	940518325	/nfs/dbraw/zinc/51/83/25/940518325.db2.gz	YDQBLBJNZCQQEL-UHFFFAOYSA-N	-1	1	359.400	1.309	20	10		FDCDMM
CS(=O)(=O)Nc1ccc([O-])c(-c2nc(-c3ccc4n[nH]nc4c3)no2)c1	ZINC000813339523	941368275	/nfs/dbraw/zinc/36/82/75/941368275.db2.gz	OUFGGPJZABCUPI-UHFFFAOYSA-N	-1	1	372.366	1.752	20	10		FDCDMM
NC(=O)CC1(CNC(=O)NCc2cccc(Br)c2[O-])CC1	ZINC000817174107	942608385	/nfs/dbraw/zinc/60/83/85/942608385.db2.gz	YRTDVQPFCQUQFT-UHFFFAOYSA-N	-1	1	356.220	1.610	20	10		FDCDMM
CN(CC(=O)N1CCOCC1)Cc1cc(Br)c(F)cc1[O-]	ZINC001144298371	948589193	/nfs/dbraw/zinc/58/91/93/948589193.db2.gz	CNQUFMWEUVXGQD-UHFFFAOYSA-N	-1	1	361.211	1.584	20	10		FDCDMM
CC(C)(C)OC(=O)NCC(C)(C)C(=O)NCC(=O)c1ccc([O-])c(O)c1	ZINC001145083988	951786630	/nfs/dbraw/zinc/78/66/30/951786630.db2.gz	CQPGPYFIOVHKIL-UHFFFAOYSA-N	-1	1	366.414	1.948	20	10		FDCDMM
Cc1cc(=O)n(-c2ccc(C(=O)NCCc3cc(O)c(O)cc3O)cc2)[n-]1	ZINC001148337443	952693193	/nfs/dbraw/zinc/69/31/93/952693193.db2.gz	ZJKLAYXOKGXUQA-UHFFFAOYSA-N	-1	1	369.377	1.889	20	10		FDCDMM
COCC1(NC(=O)CN(C)Cc2cc3c(C)cc(=O)oc3cc2[O-])CCC1	ZINC001184362979	963543396	/nfs/dbraw/zinc/54/33/96/963543396.db2.gz	ZGZFTZRNJZLUSW-UHFFFAOYSA-N	-1	1	374.437	1.924	20	10		FDCDMM
COc1c([O-])c(CN(CC(=O)N(C)C)CC(F)(F)F)ccc1[N+](=O)[O-]	ZINC000774838779	963852116	/nfs/dbraw/zinc/85/21/16/963852116.db2.gz	LAPAGFDOFXXOMK-UHFFFAOYSA-N	-1	1	365.308	1.762	20	10		FDCDMM
COC(=O)CN(Cc1ccc([N+](=O)[O-])c(OC)c1[O-])C1CCOCC1	ZINC000774902653	963995173	/nfs/dbraw/zinc/99/51/73/963995173.db2.gz	FRRNAALTGCRCML-UHFFFAOYSA-N	-1	1	354.359	1.463	20	10		FDCDMM
O=S(=O)(Nc1ccc([O-])c(F)c1F)c1ccc(-c2nn[nH]n2)cc1	ZINC001185596849	963995405	/nfs/dbraw/zinc/99/54/05/963995405.db2.gz	AJWCXDASWFIPPR-UHFFFAOYSA-N	-1	1	353.310	1.651	20	10		FDCDMM
CCOC(=O)[C@@H](NCc1ccc([N+](=O)[O-])c(OC)c1[O-])[C@@H]1CCCOC1	ZINC000775099098	965075237	/nfs/dbraw/zinc/07/52/37/965075237.db2.gz	ANLHIPWUEQWMQV-OCCSQVGLSA-N	-1	1	368.386	1.757	20	10		FDCDMM
CNS(=O)(=O)c1cc(C(=O)NCc2cccc(Cl)c2[O-])c(C)o1	ZINC001180410509	965316620	/nfs/dbraw/zinc/31/66/20/965316620.db2.gz	QWORWMSQNVNVHO-UHFFFAOYSA-N	-1	1	358.803	1.785	20	10		FDCDMM
Cc1cc(Cl)ncc1S(=O)(=O)NCC(=O)c1ccc([O-])c(O)c1	ZINC001192386295	969091876	/nfs/dbraw/zinc/09/18/76/969091876.db2.gz	JGWIAFBISPWNCM-UHFFFAOYSA-N	-1	1	356.787	1.616	20	10		FDCDMM
CCN1CCN(c2ccc(CNC(=O)N[C@@H](C)CC(=O)[O-])cc2F)CC1	ZINC001603764177	974213515	/nfs/dbraw/zinc/21/35/15/974213515.db2.gz	XURJSJMOPYVBCD-ZDUSSCGKSA-N	-1	1	366.437	1.630	20	10		FDCDMM
CO[C@H]1C[C@@H]2CN(C(=O)c3c(F)ccc(O)c3[O-])Cc3cccnc3N2C1	ZINC000881270493	979795206	/nfs/dbraw/zinc/79/52/06/979795206.db2.gz	UQRIJBYRJAYYBJ-OLZOCXBDSA-N	-1	1	373.384	1.882	20	10		FDCDMM
COC(=O)[C@@H](C[C@@H]1CCCOC1)NCc1ccc([N+](=O)[O-])c(OC)c1[O-]	ZINC000862516743	984402500	/nfs/dbraw/zinc/40/25/00/984402500.db2.gz	YBDDVUIAUARVLM-WCQYABFASA-N	-1	1	368.386	1.757	20	10		FDCDMM
CN1CCN(c2ccc(CNC(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-])cc2)CC1	ZINC000887313987	997153509	/nfs/dbraw/zinc/15/35/09/997153509.db2.gz	PMLAMQUXOXQMAI-MSOLQXFVSA-N	-1	1	359.470	1.946	20	10		FDCDMM
CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NCc2ccc(O)c(O)c2)o1	ZINC000778925041	1007011735	/nfs/dbraw/zinc/01/17/35/1007011735.db2.gz	HAJVYZHEDQEMPL-UHFFFAOYSA-N	-1	1	368.411	1.698	20	10		FDCDMM
COc1ccc(N2CCN(C(=O)CN[C@@](C)(C(=O)[O-])C3CC3)CC2)cc1	ZINC000832383324	601031653	/nfs/dbraw/zinc/03/16/53/601031653.db2.gz	FTXJZPOZVVOTJY-LJQANCHMSA-N	-1	1	361.442	1.187	20	10		FDCDMM
Cc1nc([C@H]2CN(c3ccc(C=CC(=O)[O-])cc3[N+](=O)[O-])CCO2)n[nH]1	ZINC000832990806	601214037	/nfs/dbraw/zinc/21/40/37/601214037.db2.gz	IBEZLHVREYRGOA-LYKUJDHUSA-N	-1	1	359.342	1.697	20	10		FDCDMM
CN(Cc1ccccc1O)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1	ZINC000825981245	607627711	/nfs/dbraw/zinc/62/77/11/607627711.db2.gz	QXRIOYIOHCCQKE-UHFFFAOYSA-N	-1	1	363.374	1.532	20	10		FDCDMM
CN(Cc1ccccc1O)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1	ZINC000825981245	607627714	/nfs/dbraw/zinc/62/77/14/607627714.db2.gz	QXRIOYIOHCCQKE-UHFFFAOYSA-N	-1	1	363.374	1.532	20	10		FDCDMM
C[C@H](NC(=O)[O-])[C@H]1CCCN(CC(=O)NCc2ccc(N(C)C)cc2)C1	ZINC000825267575	604257687	/nfs/dbraw/zinc/25/76/87/604257687.db2.gz	ZGBOCXXLWFGWGQ-HOCLYGCPSA-N	-1	1	362.474	1.737	20	10		FDCDMM
O=C([O-])NCCNC(=O)[C@@H]1CCC[N@H+](Cc2c([O-])cccc2Cl)C1	ZINC000834240891	605566122	/nfs/dbraw/zinc/56/61/22/605566122.db2.gz	OEQJQDVHKKGUBY-LLVKDONJSA-N	-1	1	355.822	1.641	20	10		FDCDMM
O=C([O-])NCCNC(=O)[C@@H]1CCC[N@@H+](Cc2c([O-])cccc2Cl)C1	ZINC000834240891	605566127	/nfs/dbraw/zinc/56/61/27/605566127.db2.gz	OEQJQDVHKKGUBY-LLVKDONJSA-N	-1	1	355.822	1.641	20	10		FDCDMM
CN(C)c1ccc(CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1F	ZINC000821589679	606156599	/nfs/dbraw/zinc/15/65/99/606156599.db2.gz	YPFHUSJIAZXUKE-UHFFFAOYSA-N	-1	1	359.369	1.127	20	10		FDCDMM
CN(C)c1ccc(CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1F	ZINC000821589679	606156600	/nfs/dbraw/zinc/15/66/00/606156600.db2.gz	YPFHUSJIAZXUKE-UHFFFAOYSA-N	-1	1	359.369	1.127	20	10		FDCDMM
CCc1c(NC(=O)C2=S=CC(c3nn[n-]n3)=C2)n[nH]c1-c1ccncc1	ZINC000821462310	606570190	/nfs/dbraw/zinc/57/01/90/606570190.db2.gz	ZKXPYBANMXTUOL-UHFFFAOYSA-N	-1	1	366.410	1.291	20	10		FDCDMM
CNC(=O)C(C)(C)CNC(=O)NCc1cccc(Br)c1[O-]	ZINC000277392282	674933552	/nfs/dbraw/zinc/93/35/52/674933552.db2.gz	JEYORNPXGNYXBN-UHFFFAOYSA-N	-1	1	358.236	1.726	20	10		FDCDMM
COc1c([O-])c(CN[C@H]2CS(=O)(=O)c3ccccc32)ccc1[N+](=O)[O-]	ZINC000372971505	678001456	/nfs/dbraw/zinc/00/14/56/678001456.db2.gz	CYDNXQATFSFSFK-LBPRGKRZSA-N	-1	1	364.379	1.927	20	10		FDCDMM
COc1c([O-])c(CN2CCOC[C@H]2[C@@H]2CCCC2=O)ccc1[N+](=O)[O-]	ZINC000377387905	678532979	/nfs/dbraw/zinc/53/29/79/678532979.db2.gz	WTZINERYIUTJNV-JSGCOSHPSA-N	-1	1	350.371	1.879	20	10		FDCDMM
O=C(CN1CCN(c2ccccn2)CC1)NCc1cccc(Cl)c1[O-]	ZINC000890760703	771609573	/nfs/dbraw/zinc/60/95/73/771609573.db2.gz	XAYXDQZVWUYBGN-UHFFFAOYSA-N	-1	1	360.845	1.879	20	10		FDCDMM
C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)c2c(F)ccc(O)c2[O-])CC1	ZINC000276630987	778413438	/nfs/dbraw/zinc/41/34/38/778413438.db2.gz	STIKWJYEBFOJEL-GFCCVEGCSA-N	-1	1	365.405	1.006	20	10		FDCDMM
Cc1ccc([C@H](CNC(=O)c2c(F)ccc(O)c2[O-])N2CCOCC2)o1	ZINC000276771222	779446252	/nfs/dbraw/zinc/44/62/52/779446252.db2.gz	YIACPGUICDCECP-ZDUSSCGKSA-N	-1	1	364.373	1.942	20	10		FDCDMM
CC(C)[C@@H](CNC(=O)NCc1ccc(N2CCN(C)CC2)cc1)C(=O)[O-]	ZINC000898844822	845312815	/nfs/dbraw/zinc/31/28/15/845312815.db2.gz	JGMJTUAXPKOKNI-QGZVFWFLSA-N	-1	1	362.474	1.594	20	10		FDCDMM
CN1CCN(c2ccc(CNC(=O)N3CC[C@@](C)(C(=O)[O-])C3)cc2)CC1	ZINC000898860513	845343097	/nfs/dbraw/zinc/34/30/97/845343097.db2.gz	OABZDEUKKYTKKM-LJQANCHMSA-N	-1	1	360.458	1.445	20	10		FDCDMM
CC(C)[C@]1(C(=O)[O-])C[C@@H]1C(=O)NCc1ccc(N2CCN(C)CC2)cc1	ZINC000899836456	846746148	/nfs/dbraw/zinc/74/61/48/846746148.db2.gz	VMYNDAOZNGOJMT-YLJYHZDGSA-N	-1	1	359.470	1.802	20	10		FDCDMM
C[C@H](CN1CCOCC1)C(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O	ZINC000911360440	858520288	/nfs/dbraw/zinc/52/02/88/858520288.db2.gz	UDDSVUPZZDOLJY-GFCCVEGCSA-N	-1	1	370.833	1.427	20	10		FDCDMM
O=C(CCN1C(=O)c2ccccc2C1=O)OCC(=O)c1ccc([O-])c(O)c1	ZINC000916591041	881787085	/nfs/dbraw/zinc/78/70/85/881787085.db2.gz	VMGCZGCHDHXFFS-UHFFFAOYSA-N	-1	1	369.329	1.510	20	10		FDCDMM
COCCN1C(=O)C(=CNc2ccc(F)c(F)c2F)C(=O)[N-]C1=S	ZINC000920976624	887360943	/nfs/dbraw/zinc/36/09/43/887360943.db2.gz	ZRCQVBQBAOZYFY-VOTSOKGWSA-N	-1	1	359.329	1.289	20	10		FDCDMM
C[C@H](NC(=O)NCc1cccc(Br)c1[O-])[C@@H]1CN(C)CCO1	ZINC000764798281	905699161	/nfs/dbraw/zinc/69/91/61/905699161.db2.gz	CAAVCSDCPPSNSN-GWCFXTLKSA-N	-1	1	372.263	1.673	20	10		FDCDMM
O=C(NCc1cccc(Br)c1[O-])c1ccc2n[nH]c(=O)n2c1	ZINC000765735305	908430534	/nfs/dbraw/zinc/43/05/34/908430534.db2.gz	GNQOHYMGCMXGHU-UHFFFAOYSA-N	-1	1	363.171	1.833	20	10		FDCDMM
COC(=O)c1[nH]c(C)cc1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000769782890	929671468	/nfs/dbraw/zinc/67/14/68/929671468.db2.gz	QOTSQDUEDMQTRG-UHFFFAOYSA-N	-1	1	367.383	1.439	20	10		FDCDMM
COc1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c(C)n1	ZINC000769995026	929788227	/nfs/dbraw/zinc/78/82/27/929788227.db2.gz	ZPGPCVDEBPFWRW-UHFFFAOYSA-N	-1	1	351.384	1.728	20	10		FDCDMM
COC1(c2noc(-c3cc(NS(C)(=O)=O)ccc3[O-])n2)CCOCC1	ZINC000771723124	930868669	/nfs/dbraw/zinc/86/86/69/930868669.db2.gz	LXZUVHZYRVIVDH-UHFFFAOYSA-N	-1	1	369.399	1.466	20	10		FDCDMM
COC(=O)c1sccc1NC=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O	ZINC000814318159	941611091	/nfs/dbraw/zinc/61/10/91/941611091.db2.gz	CJYCTVQLBYTAJD-RMKNXTFCSA-N	-1	1	367.452	1.730	20	10		FDCDMM
CC(C)(C)OC(=O)[C@]12COC[C@H]1CN(C(=O)c1c(F)ccc(O)c1[O-])C2	ZINC000857313697	971714347	/nfs/dbraw/zinc/71/43/47/971714347.db2.gz	IVYKMPUATXMOMP-MLCYQJTMSA-N	-1	1	367.373	1.667	20	10		FDCDMM
Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)NCc3cc[nH]n3)cc12	ZINC001184360858	963542282	/nfs/dbraw/zinc/54/22/82/963542282.db2.gz	AGKRYTRYOPSSGS-UHFFFAOYSA-N	-1	1	356.382	1.278	20	10		FDCDMM
COc1c([O-])c(CN2CCN(c3ncc(F)cn3)CC2)ccc1[N+](=O)[O-]	ZINC000775062806	964883500	/nfs/dbraw/zinc/88/35/00/964883500.db2.gz	IDXBEIYRSOAPEU-UHFFFAOYSA-N	-1	1	363.349	1.560	20	10		FDCDMM
O=C(CNC(=O)c1cnccc1Br)c1ccc([O-])c(O)c1	ZINC001189588968	967091499	/nfs/dbraw/zinc/09/14/99/967091499.db2.gz	QHFWUXOPYBNVIR-UHFFFAOYSA-N	-1	1	351.156	1.868	20	10		FDCDMM
O=C(CNC(=O)c1nccnc1OCC(F)(F)F)c1ccc([O-])c(O)c1	ZINC001199180296	973987445	/nfs/dbraw/zinc/98/74/45/973987445.db2.gz	CMZZASMMQCONBU-UHFFFAOYSA-N	-1	1	371.271	1.442	20	10		FDCDMM
COC(=O)c1ccc(S(=O)(=O)Nc2ccc(O)cc2C(=O)[O-])cn1	ZINC000776434963	977548492	/nfs/dbraw/zinc/54/84/92/977548492.db2.gz	TXNAEFPEAJIIAN-UHFFFAOYSA-N	-1	1	352.324	1.073	20	10		FDCDMM
Cc1onc(CC(=O)NCc2ccc(N(C)C)cc2C)c1-c1nnn[n-]1	ZINC000826268583	980662270	/nfs/dbraw/zinc/66/22/70/980662270.db2.gz	CVWOQZMELOEAMZ-UHFFFAOYSA-N	-1	1	355.402	1.396	20	10		FDCDMM
Cc1onc(CC(=O)NCc2ccc(N(C)C)cc2C)c1-c1nn[n-]n1	ZINC000826268583	980662275	/nfs/dbraw/zinc/66/22/75/980662275.db2.gz	CVWOQZMELOEAMZ-UHFFFAOYSA-N	-1	1	355.402	1.396	20	10		FDCDMM
CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2O)C1	ZINC000862549875	984409140	/nfs/dbraw/zinc/40/91/40/984409140.db2.gz	AHQZGJOKGPGRAA-SNVBAGLBSA-N	-1	1	350.843	1.946	20	10		FDCDMM
C[C@@H]1CN(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)C[C@H]1CC(=O)[O-]	ZINC001599857105	989106170	/nfs/dbraw/zinc/10/61/70/989106170.db2.gz	USGXQLPJNZAWHK-NVXWUHKLSA-N	-1	1	374.485	1.691	20	10		FDCDMM
CNC(=O)NC[C@@H]1COCCN1Cc1cc(Cl)cc(C(C)=O)c1[O-]	ZINC000879423859	994903241	/nfs/dbraw/zinc/90/32/41/994903241.db2.gz	GOWBPDRFPDGAOL-CYBMUJFWSA-N	-1	1	355.822	1.378	20	10		FDCDMM
COC(=O)[C@@H]1C[N@H+](Cc2cc(Cl)cc(C(C)=O)c2[O-])C[C@H]1C(=O)[O-]	ZINC001598824490	996367252	/nfs/dbraw/zinc/36/72/52/996367252.db2.gz	AGCFYTSGPPCZAZ-CHWSQXEVSA-N	-1	1	355.774	1.554	20	10		FDCDMM
COC(=O)[C@@H]1C[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2[O-])C[C@H]1C(=O)[O-]	ZINC001598824490	996367258	/nfs/dbraw/zinc/36/72/58/996367258.db2.gz	AGCFYTSGPPCZAZ-CHWSQXEVSA-N	-1	1	355.774	1.554	20	10		FDCDMM
NS(=O)(=O)c1ccc([O-])c(NC(=O)/C=C\c2ccc(O)c(O)c2)c1	ZINC000779546021	1009960017	/nfs/dbraw/zinc/96/00/17/1009960017.db2.gz	ALJDBAXFEVRJSZ-KXFIGUGUSA-N	-1	1	350.352	1.103	20	10		FDCDMM
CCOc1ccc(CCNC=C2C(=O)[N-]C(=S)NC2=O)cc1OCC	ZINC000060863615	522420276	/nfs/dbraw/zinc/42/02/76/522420276.db2.gz	GRRMIIUTWSNNQO-UHFFFAOYSA-N	-1	1	363.439	1.031	20	10		FDCDMM
COc1c(O)c(CN2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)ccc1[N+](=O)[O-]	ZINC000278412124	537318855	/nfs/dbraw/zinc/31/88/55/537318855.db2.gz	QDACIJCXCVPGDY-LBPRGKRZSA-N	-1	1	353.419	1.586	20	10		FDCDMM
COCCN1C(=O)C(=CNc2ccnn2[C@H](C)C2CC2)C(=O)[N-]C1=S	ZINC000299264266	537522958	/nfs/dbraw/zinc/52/29/58/537522958.db2.gz	MPWASZKKUXJDFT-WJEYQPDNSA-N	-1	1	363.443	1.040	20	10		FDCDMM
CS(=O)(=O)N[C@H]1CCCC[C@H]1CNC(=O)c1c(F)ccc(O)c1[O-]	ZINC000295321905	537712414	/nfs/dbraw/zinc/71/24/14/537712414.db2.gz	PSBQJCVYPWGZRT-ONGXEEELSA-N	-1	1	360.407	1.075	20	10		FDCDMM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2c[nH]nc2-c2ccccn2)c1	ZINC000367529021	537961184	/nfs/dbraw/zinc/96/11/84/537961184.db2.gz	LRWDDXRGMHDBCP-UHFFFAOYSA-N	-1	1	373.394	1.801	20	10		FDCDMM
COc1ccc(N2CCN(CCCNC(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)cc1	ZINC000738024529	600106350	/nfs/dbraw/zinc/10/63/50/600106350.db2.gz	XUOVSIIKOXATJQ-IRXDYDNUSA-N	-1	1	361.442	1.044	20	10		FDCDMM
CC[C@H](NC(=O)[O-])C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1	ZINC000739528601	602753158	/nfs/dbraw/zinc/75/31/58/602753158.db2.gz	PZIQJNPNRJQLAZ-HNNXBMFYSA-N	-1	1	366.437	1.630	20	10		FDCDMM
CCCCNC(=O)Cc1noc(-c2cc(NS(C)(=O)=O)ccc2[O-])n1	ZINC000273410192	674534201	/nfs/dbraw/zinc/53/42/01/674534201.db2.gz	MROHTGJQTGGTOB-UHFFFAOYSA-N	-1	1	368.415	1.273	20	10		FDCDMM
O=C(NCc1cccc(Br)c1[O-])[C@H]1CCCCS1(=O)=O	ZINC000277441072	674943037	/nfs/dbraw/zinc/94/30/37/674943037.db2.gz	FLCAUJOVHKYUPN-LLVKDONJSA-N	-1	1	362.245	1.738	20	10		FDCDMM
CCn1nccc1S(=O)(=O)NCc1cccc(Br)c1[O-]	ZINC000277473296	674950649	/nfs/dbraw/zinc/95/06/49/674950649.db2.gz	KOKCKZQRMJSPHS-UHFFFAOYSA-N	-1	1	360.233	1.850	20	10		FDCDMM
C[C@H](NC(=O)NCc1cccc(Br)c1[O-])c1nncn1C	ZINC000277485497	674952449	/nfs/dbraw/zinc/95/24/49/674952449.db2.gz	QBQCDNIAGOPZAD-QMMMGPOBSA-N	-1	1	354.208	1.844	20	10		FDCDMM
NC(=O)CSc1nnc(SCC(=O)c2ccc([O-])c(O)c2)s1	ZINC000026107718	670748840	/nfs/dbraw/zinc/74/88/40/670748840.db2.gz	SHJXNQXRBFLBKK-UHFFFAOYSA-N	-1	1	357.438	1.502	20	10		FDCDMM
CCOC(=O)[C@]1(COC)CCCN(C(=O)c2c(F)ccc(O)c2[O-])C1	ZINC000295189497	676402066	/nfs/dbraw/zinc/40/20/66/676402066.db2.gz	SWPHKIXQALBYLY-QGZVFWFLSA-N	-1	1	355.362	1.669	20	10		FDCDMM
CS(=O)(=O)[N-]c1ccsc1C(=O)OCC(=O)c1ccc(O)c(O)c1	ZINC000783027446	792011166	/nfs/dbraw/zinc/01/11/66/792011166.db2.gz	YBZGRAAFALKANV-UHFFFAOYSA-N	-1	1	371.392	1.571	20	10		FDCDMM
CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)NCc2cccc(Cl)c2[O-])O1	ZINC000894006425	809863474	/nfs/dbraw/zinc/86/34/74/809863474.db2.gz	UCJILFZYKVXICV-YPMHNXCESA-N	-1	1	355.822	1.481	20	10		FDCDMM
COCCCOc1ccc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)cn1	ZINC000783359492	810101228	/nfs/dbraw/zinc/10/12/28/810101228.db2.gz	QMWVDYCJIJXJFZ-UHFFFAOYSA-N	-1	1	361.350	1.948	20	10		FDCDMM
CN(OCC(F)(F)F)C(=O)CNC(=O)NCc1cccc(Cl)c1[O-]	ZINC000895929956	823777801	/nfs/dbraw/zinc/77/78/01/823777801.db2.gz	BTSQWYGVRLZERE-UHFFFAOYSA-N	-1	1	369.727	1.797	20	10		FDCDMM
CN1CCN(c2ccc(CNC(=O)N3CCC[C@H](C(=O)[O-])C3)cc2)CC1	ZINC000898859815	845341759	/nfs/dbraw/zinc/34/17/59/845341759.db2.gz	JRTXOQZKXNQZAT-INIZCTEOSA-N	-1	1	360.458	1.445	20	10		FDCDMM
O=c1[nH]c2ccc(S(=O)(=O)[N-]c3cccc(N4CCOCC4)c3)cc2[nH]1	ZINC000055679182	862652979	/nfs/dbraw/zinc/65/29/79/862652979.db2.gz	AGICKBDPOYXDKI-UHFFFAOYSA-N	-1	1	374.422	1.494	20	10		FDCDMM
CO[C@@H](CS(=O)(=O)NCc1cccc(Cl)c1[O-])C1CCOCC1	ZINC000908329126	855340855	/nfs/dbraw/zinc/34/08/55/855340855.db2.gz	PQRRUMFOQYFXHP-AWEZNQCLSA-N	-1	1	363.863	1.907	20	10		FDCDMM
O=C(NCc1ccc(N2CCC(O)CC2)cc1)c1cnc(C2CC2)[n-]c1=O	ZINC000912709233	860053332	/nfs/dbraw/zinc/05/33/32/860053332.db2.gz	DMZHDPLHIUEUBN-UHFFFAOYSA-N	-1	1	368.437	1.951	20	10		FDCDMM
CS(=O)(=O)CCNC(=S)NCc1cccc(Br)c1[O-]	ZINC000765993348	878774045	/nfs/dbraw/zinc/77/40/45/878774045.db2.gz	VKEBFSOBPVLMSI-UHFFFAOYSA-N	-1	1	367.290	1.163	20	10		FDCDMM
O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)c1ccc(O)cc1[O-]	ZINC000920014996	886543771	/nfs/dbraw/zinc/54/37/71/886543771.db2.gz	MVMSRZLSHDPMBE-UHFFFAOYSA-N	-1	1	362.407	1.585	20	10		FDCDMM
C[C@@H](CNC(=O)NCc1cccc(Br)c1[O-])S(C)(=O)=O	ZINC000764799263	905701393	/nfs/dbraw/zinc/70/13/93/905701393.db2.gz	JGTRSZLMMBKZNM-QMMMGPOBSA-N	-1	1	365.249	1.387	20	10		FDCDMM
NC(=O)c1coc(CNC(=O)NCc2cccc(Br)c2[O-])c1	ZINC000765543442	907510923	/nfs/dbraw/zinc/51/09/23/907510923.db2.gz	RUIWZASJBUPSNX-UHFFFAOYSA-N	-1	1	368.187	1.846	20	10		FDCDMM
COC(=O)c1cc(C(=O)NCc2cccc(Br)c2[O-])on1	ZINC000765751197	908688011	/nfs/dbraw/zinc/68/80/11/908688011.db2.gz	RXYZGHGBHLWDDE-UHFFFAOYSA-N	-1	1	355.144	1.859	20	10		FDCDMM
Cc1ncc(-c2noc(-c3cc(NS(C)(=O)=O)ccc3[O-])n2)c(N)n1	ZINC000771223405	930546320	/nfs/dbraw/zinc/54/63/20/930546320.db2.gz	GRYRSKSNTJGHGO-UHFFFAOYSA-N	-1	1	362.371	1.161	20	10		FDCDMM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1	ZINC000788630163	932765276	/nfs/dbraw/zinc/76/52/76/932765276.db2.gz	HOYPOIGPSOFJSH-UHFFFAOYSA-N	-1	1	374.397	1.005	20	10		FDCDMM
COc1ccccc1C(=O)N1CCN(C(=O)c2c(F)ccc(O)c2[O-])CC1	ZINC000825441482	947247024	/nfs/dbraw/zinc/24/70/24/947247024.db2.gz	UEGGMXMIFVEUSX-UHFFFAOYSA-N	-1	1	374.368	1.844	20	10		FDCDMM
O=C(CNC(=O)[C@@H]1[C@@H](O)CCN1Cc1ccccc1)c1ccc([O-])c(O)c1	ZINC001143675146	947449672	/nfs/dbraw/zinc/44/96/72/947449672.db2.gz	HLQBAAUQYBTUQO-LPHOPBHVSA-N	-1	1	370.405	1.032	20	10		FDCDMM
COc1ccc(N(C)CCN(C)C(=O)N=c2ccnc3n(C)[n-]cc2-3)cc1	ZINC000844650187	948256293	/nfs/dbraw/zinc/25/62/93/948256293.db2.gz	IKUILQDFUXYZBO-UHFFFAOYSA-N	-1	1	368.441	1.951	20	10		FDCDMM
O=C(NCC[C@]1(O)CCOC1)NCc1cccc(Br)c1[O-]	ZINC000845454927	949243323	/nfs/dbraw/zinc/24/33/23/949243323.db2.gz	KTOUMUKZNQNVEP-AWEZNQCLSA-N	-1	1	359.220	1.495	20	10		FDCDMM
Cc1cc(Br)c([O-])c(C[N@H+]2C[C@H]3COC[C@@]3(C(=O)[O-])C2)c1	ZINC001574306493	960740306	/nfs/dbraw/zinc/74/03/06/960740306.db2.gz	JXGZDZNHDUTEBX-NHYWBVRUSA-N	-1	1	356.216	1.996	20	10		FDCDMM
O=C(CSc1cncc(Cl)n1)NCC(=O)c1ccc([O-])c(O)c1	ZINC001177471989	963835125	/nfs/dbraw/zinc/83/51/25/963835125.db2.gz	FQJDXHKJAPIYTD-UHFFFAOYSA-N	-1	1	353.787	1.632	20	10		FDCDMM
O=C(Cc1cn(Cc2ccccc2)nn1)NCC(=O)c1ccc([O-])c(O)c1	ZINC001178325007	964199942	/nfs/dbraw/zinc/19/99/42/964199942.db2.gz	ZYGRWPLSBWGCPY-UHFFFAOYSA-N	-1	1	366.377	1.279	20	10		FDCDMM
CCOC(=O)[C@@H](NCc1ccc([N+](=O)[O-])c(OC)c1[O-])C1CCOCC1	ZINC000775101982	965093659	/nfs/dbraw/zinc/09/36/59/965093659.db2.gz	YYDICDBRKUYDTR-AWEZNQCLSA-N	-1	1	368.386	1.757	20	10		FDCDMM
O=C(c1ccc(O)c([O-])c1Cl)N1CCN(C(=O)[C@@H]2CCCO2)CC1	ZINC001193208908	969537431	/nfs/dbraw/zinc/53/74/31/969537431.db2.gz	AYLXKDXAIQBWPG-LBPRGKRZSA-N	-1	1	354.790	1.215	20	10		FDCDMM
C[Si](C)(C)c1ccnc(C(=O)NCC(=O)c2ccc([O-])c(O)c2)c1F	ZINC001199737694	974482392	/nfs/dbraw/zinc/48/23/92/974482392.db2.gz	YAUQZOVTLBPBMG-UHFFFAOYSA-N	-1	1	362.433	1.790	20	10		FDCDMM
O=C(NC[C@@H](CO)Cc1ccncc1Cl)c1c(F)ccc(O)c1[O-]	ZINC000848376822	976704389	/nfs/dbraw/zinc/70/43/89/976704389.db2.gz	LVXDEBDQGZOLNL-VIFPVBQESA-N	-1	1	354.765	1.866	20	10		FDCDMM
COC(=O)c1cc(O)ccc1NS(=O)(=O)c1ccc(CC(=O)[O-])cc1	ZINC000775286999	978747614	/nfs/dbraw/zinc/74/76/14/978747614.db2.gz	UJVRXZQTVXKNIR-UHFFFAOYSA-N	-1	1	365.363	1.607	20	10		FDCDMM
COC(=O)c1c(F)cccc1S(=O)(=O)Nc1ccc(O)cc1C(=O)[O-]	ZINC000776435080	978748738	/nfs/dbraw/zinc/74/87/38/978748738.db2.gz	XVCLRHUTYCKXQM-UHFFFAOYSA-N	-1	1	369.326	1.817	20	10		FDCDMM
C[C@H](NCc1nnc2n1CCNC2=O)c1cc(Cl)c(Cl)cc1[O-]	ZINC000883303761	982060110	/nfs/dbraw/zinc/06/01/10/982060110.db2.gz	GBBRSPOUZCLHDA-ZETCQYMHSA-N	-1	1	356.213	1.885	20	10		FDCDMM
Cn1nc(C(=O)[O-])cc1CNCc1cc(F)c(N2CCOCC2)c(F)c1	ZINC000874041625	989670310	/nfs/dbraw/zinc/67/03/10/989670310.db2.gz	BSUCENUNZWMEGQ-UHFFFAOYSA-N	-1	1	366.368	1.523	20	10		FDCDMM
CN(C)c1ccc(CNC(=O)CN2CCSC[C@H](C(=O)[O-])C2)cc1	ZINC001598318226	991312533	/nfs/dbraw/zinc/31/25/33/991312533.db2.gz	SMAPTDDYEMGLTL-CQSZACIVSA-N	-1	1	351.472	1.118	20	10		FDCDMM
COC(=O)[C@H]1[C@H](C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])C1(F)F	ZINC001598739408	995555838	/nfs/dbraw/zinc/55/58/38/995555838.db2.gz	BMMHTCVYPMIJEQ-GXFFZTMASA-N	-1	1	363.744	1.987	20	10		FDCDMM
COC(=O)[C@H]1[C@H](C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])C1(F)F	ZINC001598739408	995555847	/nfs/dbraw/zinc/55/58/47/995555847.db2.gz	BMMHTCVYPMIJEQ-GXFFZTMASA-N	-1	1	363.744	1.987	20	10		FDCDMM
CC[C@@H]1CN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CCN1C[C@@H](C)O	ZINC000736942869	600213863	/nfs/dbraw/zinc/21/38/63/600213863.db2.gz	FSVNZNXIIZJDPO-BBUPELFUSA-N	-1	1	363.414	1.974	20	10		FDCDMM
O=S(=O)(NCc1ccccc1O)c1cccc(Cl)c1-c1nnn[n-]1	ZINC000826491823	607625537	/nfs/dbraw/zinc/62/55/37/607625537.db2.gz	DBRLZBYRHDHZQJ-UHFFFAOYSA-N	-1	1	365.802	1.704	20	10		FDCDMM
O=S(=O)(NCc1ccccc1O)c1cccc(Cl)c1-c1nn[n-]n1	ZINC000826491823	607625539	/nfs/dbraw/zinc/62/55/39/607625539.db2.gz	DBRLZBYRHDHZQJ-UHFFFAOYSA-N	-1	1	365.802	1.704	20	10		FDCDMM
O=C([O-])NCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1	ZINC000834241483	605992059	/nfs/dbraw/zinc/99/20/59/605992059.db2.gz	SNYMNDCCFMVHEY-SNVBAGLBSA-N	-1	1	373.812	1.781	20	10		FDCDMM
C[C@@H](CN1CCOCC1)NC(=O)NCc1cccc(Br)c1[O-]	ZINC000278366747	675127575	/nfs/dbraw/zinc/12/75/75/675127575.db2.gz	MCUZOYNFUKVJQV-NSHDSACASA-N	-1	1	372.263	1.675	20	10		FDCDMM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2cc3n(n2)CCCC3)c1	ZINC000286662277	675898134	/nfs/dbraw/zinc/89/81/34/675898134.db2.gz	VLGINMRAMCYNAP-UHFFFAOYSA-N	-1	1	350.400	1.549	20	10		FDCDMM
CNS(=O)(=O)C1CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])CC1	ZINC000267431624	673303220	/nfs/dbraw/zinc/30/32/20/673303220.db2.gz	YYLKJYXKTCDKCL-UHFFFAOYSA-N	-1	1	360.863	1.762	20	10		FDCDMM
CC(=O)c1cc(Cl)cc(CN2CCC[C@]3(C2)NC(=O)NC3=O)c1[O-]	ZINC000279012705	675231726	/nfs/dbraw/zinc/23/17/26/675231726.db2.gz	FRRQIPPMRXUQEL-MRXNPFEDSA-N	-1	1	351.790	1.422	20	10		FDCDMM
CS(=O)(=O)C1(C(=O)NCc2cccc(Br)c2[O-])CCC1	ZINC000281835849	675566817	/nfs/dbraw/zinc/56/68/17/675566817.db2.gz	MDWVEFPVRAGTRX-UHFFFAOYSA-N	-1	1	362.245	1.738	20	10		FDCDMM
O=C(N[C@@H]1CCCN(C(=O)N2CCCC2)C1)c1c(F)ccc(O)c1[O-]	ZINC000295197431	676402226	/nfs/dbraw/zinc/40/22/26/676402226.db2.gz	DXILUPDNLQJOSZ-LLVKDONJSA-N	-1	1	351.378	1.647	20	10		FDCDMM
COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)c2c(F)ccc(O)c2[O-])C1	ZINC000295206203	676402257	/nfs/dbraw/zinc/40/22/57/676402257.db2.gz	FWGCUHKAVMNPLC-CYBMUJFWSA-N	-1	1	351.252	1.805	20	10		FDCDMM
C[C@@H](C(=O)N(C)CC(=O)NCc1cccc(Cl)c1[O-])n1cccn1	ZINC000890757971	771584105	/nfs/dbraw/zinc/58/41/05/771584105.db2.gz	PAIYPSAVRWGVDF-NSHDSACASA-N	-1	1	350.806	1.578	20	10		FDCDMM
Cc1ccn(C[C@](C)(O)C(=O)NCc2cccc(Cl)c2[O-])c(=O)c1	ZINC000890759047	771602205	/nfs/dbraw/zinc/60/22/05/771602205.db2.gz	ASSXVFXTRPZNRX-KRWDZBQOSA-N	-1	1	350.802	1.583	20	10		FDCDMM
Cc1cc(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)c(C)n1-c1ccc(F)cc1	ZINC000377594968	792288269	/nfs/dbraw/zinc/28/82/69/792288269.db2.gz	ITDYBIWYVJHWIK-INIZCTEOSA-N	-1	1	370.388	1.960	20	10		FDCDMM
CC1(C)[C@@H](NCc2cc(Br)cc(F)c2[O-])CS1(=O)=O	ZINC000895985759	823903183	/nfs/dbraw/zinc/90/31/83/823903183.db2.gz	QDMJFGGNRFFYAP-JTQLQIEISA-N	-1	1	352.225	1.959	20	10		FDCDMM
CC(C)[C@H](C(=O)OCC(=O)c1ccc([O-])c(O)c1)N1C[C@@H](C)O[C@@H](C)C1	ZINC000783781561	833631451	/nfs/dbraw/zinc/63/14/51/833631451.db2.gz	YQRKJACULMSZMM-FHSNZYRGSA-N	-1	1	365.426	1.958	20	10		FDCDMM
CCOc1ccccc1C(=O)NCC(=O)OCC(=O)c1ccc([O-])c(O)c1	ZINC000916590459	881785898	/nfs/dbraw/zinc/78/58/98/881785898.db2.gz	CFNRRZLOKYKSIQ-UHFFFAOYSA-N	-1	1	373.361	1.652	20	10		FDCDMM
CC(C)CN1C(=O)C(=CNCCCN(C)c2ccccc2)C(=O)[N-]C1=S	ZINC000060865467	864735093	/nfs/dbraw/zinc/73/50/93/864735093.db2.gz	PIWZJKFVRVQLCQ-VBKFSLOCSA-N	-1	1	374.510	1.886	20	10		FDCDMM
O=C(NCCCn1ccnn1)NCc1cccc(Br)c1[O-]	ZINC000764804363	905702746	/nfs/dbraw/zinc/70/27/46/905702746.db2.gz	FRBSNFWPEOHWLG-UHFFFAOYSA-N	-1	1	354.208	1.636	20	10		FDCDMM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCOc3cc(F)ccc32)c1	ZINC000769882014	929741743	/nfs/dbraw/zinc/74/17/43/929741743.db2.gz	MZZOVJLJYOXLDX-UHFFFAOYSA-N	-1	1	366.370	1.942	20	10		FDCDMM
CC(=O)Nc1ncccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000771468239	930702852	/nfs/dbraw/zinc/70/28/52/930702852.db2.gz	FVXFCZLBPPOGKR-UHFFFAOYSA-N	-1	1	364.383	1.369	20	10		FDCDMM
Cc1onc(N)c1S(=O)(=O)NCc1cccc(Br)c1[O-]	ZINC000809840370	940905188	/nfs/dbraw/zinc/90/51/88/940905188.db2.gz	VDZVWIUEGMRQBO-UHFFFAOYSA-N	-1	1	362.205	1.512	20	10		FDCDMM
CN1C(=O)CC[C@@H](NC(=O)NCc2cccc(Br)c2[O-])C1=O	ZINC000823905392	946070176	/nfs/dbraw/zinc/07/01/76/946070176.db2.gz	HTKGBAPYUPDZMJ-SNVBAGLBSA-N	-1	1	370.203	1.101	20	10		FDCDMM
CS(=O)(=O)[C@@H]1CN(C(=O)c2c([O-])c(O)ccc2F)C[C@H]1C(F)(F)F	ZINC000857303731	971709587	/nfs/dbraw/zinc/70/95/87/971709587.db2.gz	MBLSSGJVSFDXJK-HZGVNTEJSA-N	-1	1	371.308	1.284	20	10		FDCDMM
COC(=O)c1cc(S(=O)(=O)Nc2cc(F)c([O-])cc2F)ccc1O	ZINC001197242410	972169375	/nfs/dbraw/zinc/16/93/75/972169375.db2.gz	KYIJLPMTVKIXFA-UHFFFAOYSA-N	-1	1	359.306	1.963	20	10		FDCDMM
CCN1CCN(c2ccc(CNC(=O)[C@H]3C[C@@H](C(=O)[O-])C3)cc2F)CC1	ZINC001344545224	962197803	/nfs/dbraw/zinc/19/78/03/962197803.db2.gz	YYTIOLLGDOYFHG-GASCZTMLSA-N	-1	1	363.433	1.695	20	10		FDCDMM
O=C(CCCNC(=O)c1cccnc1)NCC(=O)c1ccc([O-])c(O)c1	ZINC001176892822	963590711	/nfs/dbraw/zinc/59/07/11/963590711.db2.gz	OKOHJQLHZDTDFV-UHFFFAOYSA-N	-1	1	357.366	1.002	20	10		FDCDMM
CCOC(=O)[C@H](NCc1ccc([N+](=O)[O-])c(OC)c1[O-])[C@@H]1CCCOC1	ZINC000775099099	965075693	/nfs/dbraw/zinc/07/56/93/965075693.db2.gz	ANLHIPWUEQWMQV-TZMCWYRMSA-N	-1	1	368.386	1.757	20	10		FDCDMM
COc1cnc([C@H]2CCCN2C(=O)C=Cc2ccc(O)c(O)c2)[n-]c1=O	ZINC001180060074	965095382	/nfs/dbraw/zinc/09/53/82/965095382.db2.gz	QUZKVGNMUJHOCG-HOSRBBHYSA-N	-1	1	357.366	1.979	20	10		FDCDMM
Cc1cc(S(=O)(=O)NCC(=O)c2ccc([O-])c(O)c2)cnc1Cl	ZINC001192587962	969189656	/nfs/dbraw/zinc/18/96/56/969189656.db2.gz	RKOIFJYSLVKCDQ-UHFFFAOYSA-N	-1	1	356.787	1.616	20	10		FDCDMM
COc1cnc(O[C@@H]2CCN(C(=O)c3ccc(O)c([O-])c3Cl)C2)nc1	ZINC001193232819	969563550	/nfs/dbraw/zinc/56/35/50/969563550.db2.gz	QHCAJIPUXOWZFK-SECBINFHSA-N	-1	1	365.773	1.843	20	10		FDCDMM
COc1ccc(N2CCN(CCCNC(=O)c3cc(=O)[nH][n-]3)CC2)cc1	ZINC001193474012	969709770	/nfs/dbraw/zinc/70/97/70/969709770.db2.gz	WLNBNPVDDRMAEU-UHFFFAOYSA-N	-1	1	359.430	1.066	20	10		FDCDMM
COc1ccc(N2CC[C@H](NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)C2)cc1	ZINC000855224611	970222859	/nfs/dbraw/zinc/22/28/59/970222859.db2.gz	GJOYCHWVPPRGNE-LBPRGKRZSA-N	-1	1	358.354	1.713	20	10		FDCDMM
Cc1cc(C(=O)NCC(=O)c2ccc([O-])c(O)c2)n(-c2cccnc2)n1	ZINC001199587200	974408745	/nfs/dbraw/zinc/40/87/45/974408745.db2.gz	NZORZDMKYISKQI-UHFFFAOYSA-N	-1	1	352.350	1.600	20	10		FDCDMM
C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)C(=O)Nc1ccc(N)cc1	ZINC000848603120	976947721	/nfs/dbraw/zinc/94/77/21/976947721.db2.gz	MNTQCCWGYQTOBJ-BXKDBHETSA-N	-1	1	372.347	1.265	20	10		FDCDMM
COc1ccc(N2CC[C@H]([N-]S(=O)(=O)c3c[nH]nc3Cl)C2)cc1	ZINC000849417492	977543993	/nfs/dbraw/zinc/54/39/93/977543993.db2.gz	SFMCGKVMENSVMQ-JTQLQIEISA-N	-1	1	356.835	1.629	20	10		FDCDMM
Cc1onc(N)c1S(=O)(=O)[N-]Cc1ccc(N2CCC(O)CC2)cc1	ZINC000851843388	979097160	/nfs/dbraw/zinc/09/71/60/979097160.db2.gz	BZFOMQMYTBSULU-UHFFFAOYSA-N	-1	1	366.443	1.005	20	10		FDCDMM
COc1c([O-])c(CN2CCc3ccccc3[C@@H]2C(N)=O)ccc1[N+](=O)[O-]	ZINC000373205113	992001980	/nfs/dbraw/zinc/00/19/80/992001980.db2.gz	QDPFSONHWIDBCS-OAHLLOKOSA-N	-1	1	357.366	1.894	20	10		FDCDMM
COc1ccc(N(C)CC[N@@H+](C)[C@@H]2CCCN(CCC(=O)[O-])C2=O)cc1	ZINC001599584198	993590876	/nfs/dbraw/zinc/59/08/76/993590876.db2.gz	NTSJXELPEQAUSU-QGZVFWFLSA-N	-1	1	363.458	1.529	20	10		FDCDMM
COc1ccc(N(C)CCN(C)[C@@H]2CCCN(CCC(=O)[O-])C2=O)cc1	ZINC001599584198	993590881	/nfs/dbraw/zinc/59/08/81/993590881.db2.gz	NTSJXELPEQAUSU-QGZVFWFLSA-N	-1	1	363.458	1.529	20	10		FDCDMM
COC(=O)[C@@H]1[C@@H](C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])C1(F)F	ZINC001598739412	995555805	/nfs/dbraw/zinc/55/58/05/995555805.db2.gz	BMMHTCVYPMIJEQ-MFKMUULPSA-N	-1	1	363.744	1.987	20	10		FDCDMM
COC(=O)[C@@H]1[C@@H](C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])C1(F)F	ZINC001598739412	995555812	/nfs/dbraw/zinc/55/58/12/995555812.db2.gz	BMMHTCVYPMIJEQ-MFKMUULPSA-N	-1	1	363.744	1.987	20	10		FDCDMM
CCn1cc(S(=O)(=O)[N-]Cc2ccc(OC)cc2O)c([N+](=O)[O-])n1	ZINC000795357473	1006340805	/nfs/dbraw/zinc/34/08/05/1006340805.db2.gz	QRBRTMDIXYWGAU-UHFFFAOYSA-N	-1	1	356.360	1.004	20	10		FDCDMM
COC(=O)c1cc(O)ccc1NS(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC000779460790	1009585154	/nfs/dbraw/zinc/58/51/54/1009585154.db2.gz	SYUHGWYJAMLOFR-UHFFFAOYSA-N	-1	1	351.336	1.678	20	10		FDCDMM
CCCN(Cc1ccccc1O)C(=O)c1coc(S(=O)(=O)[N-]C)c1	ZINC000156836864	524159805	/nfs/dbraw/zinc/15/98/05/524159805.db2.gz	XFIWCRLFCCMBSX-UHFFFAOYSA-N	-1	1	352.412	1.946	20	10		FDCDMM
CCC[C@H](NC(=O)C=Cc1ccc(N2CCOCC2)cc1)c1nn[n-]n1	ZINC000176781143	525175849	/nfs/dbraw/zinc/17/58/49/525175849.db2.gz	CXIYBBLASYUTQE-FSNWXROXSA-N	-1	1	356.430	1.707	20	10		FDCDMM
CC[C@H](C)[C@H](NCC(=O)N1CCN(c2ccc(OC)cc2)CC1)C(=O)[O-]	ZINC000820459817	598187655	/nfs/dbraw/zinc/18/76/55/598187655.db2.gz	YGRJMIGOJVSLTG-KSSFIOAISA-N	-1	1	363.458	1.433	20	10		FDCDMM
c1cnc(-c2nnn[n-]2)c(NCc2ccc(N3CCSCC3)cc2)n1	ZINC000738446412	598346323	/nfs/dbraw/zinc/34/63/23/598346323.db2.gz	XTVJNBOMFRCCJH-UHFFFAOYSA-N	-1	1	354.443	1.822	20	10		FDCDMM
c1cnc(-c2nn[n-]n2)c(NCc2ccc(N3CCSCC3)cc2)n1	ZINC000738446412	598346325	/nfs/dbraw/zinc/34/63/25/598346325.db2.gz	XTVJNBOMFRCCJH-UHFFFAOYSA-N	-1	1	354.443	1.822	20	10		FDCDMM
O=C([O-])NCCNC(=O)[C@H]1CCC[N@H+](Cc2c([O-])cccc2Cl)C1	ZINC000834241105	605566294	/nfs/dbraw/zinc/56/62/94/605566294.db2.gz	OEQJQDVHKKGUBY-NSHDSACASA-N	-1	1	355.822	1.641	20	10		FDCDMM
O=C([O-])NCCNC(=O)[C@H]1CCC[N@@H+](Cc2c([O-])cccc2Cl)C1	ZINC000834241105	605566296	/nfs/dbraw/zinc/56/62/96/605566296.db2.gz	OEQJQDVHKKGUBY-NSHDSACASA-N	-1	1	355.822	1.641	20	10		FDCDMM
CC[C@H](C(=O)[O-])C(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1	ZINC000911121993	858172936	/nfs/dbraw/zinc/17/29/36/858172936.db2.gz	AXHJTYBAFIPXSB-KRWDZBQOSA-N	-1	1	363.458	1.434	20	10		FDCDMM
Cc1ccc(C(=O)NCC(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1C	ZINC000916590737	881785716	/nfs/dbraw/zinc/78/57/16/881785716.db2.gz	KAHDTSSESHNXLP-UHFFFAOYSA-N	-1	1	357.362	1.871	20	10		FDCDMM
CS(=O)(=O)Nc1ccc([O-])c(-c2nc(CC3CCOCC3)no2)c1	ZINC000761986191	874944526	/nfs/dbraw/zinc/94/45/26/874944526.db2.gz	GWENQXSGICFNKL-UHFFFAOYSA-N	-1	1	353.400	1.783	20	10		FDCDMM
Cc1ncc(NC(=O)C(=O)NCc2cccc(Br)c2[O-])cn1	ZINC000765904323	897271966	/nfs/dbraw/zinc/27/19/66/897271966.db2.gz	RCMLMGUIHDWLAK-UHFFFAOYSA-N	-1	1	365.187	1.508	20	10		FDCDMM
Cn1ccnc(NC(=O)NCc2cccc(Br)c2[O-])c1=O	ZINC000765338950	906838517	/nfs/dbraw/zinc/83/85/17/906838517.db2.gz	HHEMUVIQXYSGPU-UHFFFAOYSA-N	-1	1	353.176	1.570	20	10		FDCDMM
COc1ncnc(OC)c1C(=O)NCc1cccc(Br)c1[O-]	ZINC000765728324	908351174	/nfs/dbraw/zinc/35/11/74/908351174.db2.gz	HPNYUZCRVHADGP-UHFFFAOYSA-N	-1	1	368.187	1.892	20	10		FDCDMM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2ccc3c(c2)C(=O)NC3)c1	ZINC000730588106	917050480	/nfs/dbraw/zinc/05/04/80/917050480.db2.gz	IOCOCVZHNIOMSA-UHFFFAOYSA-N	-1	1	361.379	1.259	20	10		FDCDMM
CCn1cc(S(=O)(=O)[N-]Cc2ccc(N(C)C)cc2)c([N+](=O)[O-])n1	ZINC000772639249	931391315	/nfs/dbraw/zinc/39/13/15/931391315.db2.gz	OBJIEMYZTBSVBF-UHFFFAOYSA-N	-1	1	353.404	1.356	20	10		FDCDMM
CCOC(=O)c1nc(CNC(=O)c2cc(C)n(-c3ccccn3)c2C)n[n-]1	ZINC000787916287	932464703	/nfs/dbraw/zinc/46/47/03/932464703.db2.gz	UANSZUKTLACLCA-UHFFFAOYSA-N	-1	1	368.397	1.714	20	10		FDCDMM
CCOC(=O)c1n[n-]c(CNC(=O)c2cc(C)n(-c3ccccn3)c2C)n1	ZINC000787916287	932464708	/nfs/dbraw/zinc/46/47/08/932464708.db2.gz	UANSZUKTLACLCA-UHFFFAOYSA-N	-1	1	368.397	1.714	20	10		FDCDMM
C[C@@H](NC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2)c1ccc(N(C)C)cc1	ZINC000806985727	940199456	/nfs/dbraw/zinc/19/94/56/940199456.db2.gz	DHLIQFNISCCUSB-GFCCVEGCSA-N	-1	1	366.425	1.224	20	10		FDCDMM
CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1noc(C)c1-c1nnn[n-]1	ZINC000825434616	947272889	/nfs/dbraw/zinc/27/28/89/947272889.db2.gz	BOBGAXOBOBGDTB-UHFFFAOYSA-N	-1	1	369.429	1.820	20	10		FDCDMM
CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1noc(C)c1-c1nn[n-]n1	ZINC000825434616	947272897	/nfs/dbraw/zinc/27/28/97/947272897.db2.gz	BOBGAXOBOBGDTB-UHFFFAOYSA-N	-1	1	369.429	1.820	20	10		FDCDMM
O=C(NCC[C@]1(O)CCCOC1)NCc1cccc(Br)c1[O-]	ZINC000845719576	949848267	/nfs/dbraw/zinc/84/82/67/949848267.db2.gz	WVMGYJFNOJJRDY-OAHLLOKOSA-N	-1	1	373.247	1.886	20	10		FDCDMM
CCS(=O)(=O)[N-]C(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2	ZINC000774083056	961678483	/nfs/dbraw/zinc/67/84/83/961678483.db2.gz	FOLULOIQERKXHK-UHFFFAOYSA-N	-1	1	363.483	1.874	20	10		FDCDMM
Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)N(C)CC3(C)COC3)cc12	ZINC001184359190	963542104	/nfs/dbraw/zinc/54/21/04/963542104.db2.gz	LLMXXEMEZWDSMN-UHFFFAOYSA-N	-1	1	374.437	1.734	20	10		FDCDMM
Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)NC[C@H]3CCCCO3)cc12	ZINC001184362359	963544062	/nfs/dbraw/zinc/54/40/62/963544062.db2.gz	QXZVTRXLDYTAML-OAHLLOKOSA-N	-1	1	374.437	1.924	20	10		FDCDMM
COc1c([O-])c(CN2CCS(=O)(=O)[C@H]3CCCC[C@@H]32)ccc1[N+](=O)[O-]	ZINC000774888598	963970945	/nfs/dbraw/zinc/97/09/45/963970945.db2.gz	RKODBLLOWPCIEE-JSGCOSHPSA-N	-1	1	370.427	1.851	20	10		FDCDMM
O=C(CNC(=O)c1cccc(OC2CCOCC2)n1)c1ccc([O-])c(O)c1	ZINC001192338724	969072283	/nfs/dbraw/zinc/07/22/83/969072283.db2.gz	GRTLFLWBXUAAHF-UHFFFAOYSA-N	-1	1	372.377	1.663	20	10		FDCDMM
COc1ccc(N2CC[C@H](C[N-]S(=O)(=O)c3ccns3)C2)cc1	ZINC000885251899	985269388	/nfs/dbraw/zinc/26/93/88/985269388.db2.gz	PNNKZXURFNIOFV-GFCCVEGCSA-N	-1	1	353.469	1.957	20	10		FDCDMM
COC(=O)c1cn([C@@H]2CCCN(Cc3ccc(F)c(F)c3[O-])C2)nn1	ZINC000877364795	993249641	/nfs/dbraw/zinc/24/96/41/993249641.db2.gz	NOFJZNUGBMLIJS-LLVKDONJSA-N	-1	1	352.341	1.886	20	10		FDCDMM
CC(=O)c1cc(Cl)cc(CN2CCS(=O)(=O)C[C@H]2CCO)c1[O-]	ZINC000932314276	1004902039	/nfs/dbraw/zinc/90/20/39/1004902039.db2.gz	FTCUGCQMFHUEBY-CYBMUJFWSA-N	-1	1	361.847	1.230	20	10		FDCDMM
O=C([O-])c1cc2ccccc2c(CN2CCO[C@@H](Cn3cncn3)C2)c1O	ZINC000740097717	600428466	/nfs/dbraw/zinc/42/84/66/600428466.db2.gz	QBRSFUXEUMCXLX-CQSZACIVSA-N	-1	1	368.393	1.736	20	10		FDCDMM
CCc1nc([C@H]2CN(c3ccc(C=CC(=O)[O-])cc3[N+](=O)[O-])CCO2)n[nH]1	ZINC000830304625	604273707	/nfs/dbraw/zinc/27/37/07/604273707.db2.gz	SSHTVGCNJKVKLH-KXQLTZBTSA-N	-1	1	373.369	1.951	20	10		FDCDMM
COc1ccc(O)c([C@@H](C)NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)c1	ZINC000821838085	606167169	/nfs/dbraw/zinc/16/71/69/606167169.db2.gz	KDZBHEJJBOCQGV-MRVPVSSYSA-N	-1	1	358.362	1.197	20	10		FDCDMM
COc1ccc(O)c([C@@H](C)NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)c1	ZINC000821838085	606167170	/nfs/dbraw/zinc/16/71/70/606167170.db2.gz	KDZBHEJJBOCQGV-MRVPVSSYSA-N	-1	1	358.362	1.197	20	10		FDCDMM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2cnc3c(c2)COCC3)c1	ZINC000360468789	676868285	/nfs/dbraw/zinc/86/82/85/676868285.db2.gz	XITNIZNJGZDKQW-UHFFFAOYSA-N	-1	1	363.395	1.484	20	10		FDCDMM
NC(=O)CSCC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	ZINC000366400170	677440520	/nfs/dbraw/zinc/44/05/20/677440520.db2.gz	BRFPPTLLZFNHIS-ZDUSSCGKSA-N	-1	1	371.890	1.345	20	10		FDCDMM
CN(C)c1ccc([C@H](CNS(=O)(=O)[C@@H]2CC[C@@H]2C(=O)[O-])N(C)C)cc1	ZINC001465116612	804164605	/nfs/dbraw/zinc/16/46/05/804164605.db2.gz	RGHZGUUNPGFAAK-HRCADAONSA-N	-1	1	369.487	1.138	20	10		FDCDMM
Cc1c2ccccc2n(C)c1CNC(=O)CNC(=O)c1ncccc1[O-]	ZINC000473258947	809682722	/nfs/dbraw/zinc/68/27/22/809682722.db2.gz	LKOLBHJDSNBDEY-UHFFFAOYSA-N	-1	1	352.394	1.634	20	10		FDCDMM
COC(=O)C=Cc1ccc(N2CCC(c3nc(=O)[n-][nH]3)CC2)c([N+](=O)[O-])c1	ZINC000281018279	825853122	/nfs/dbraw/zinc/85/31/22/825853122.db2.gz	RTGYEDQVESGELN-HWKANZROSA-N	-1	1	373.369	1.576	20	10		FDCDMM
C[C@H]1CN(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)CC[C@H]1C(=O)[O-]	ZINC000898859769	845342330	/nfs/dbraw/zinc/34/23/30/845342330.db2.gz	JCAMJUYRKGJVTR-MAUKXSAKSA-N	-1	1	374.485	1.691	20	10		FDCDMM
O=S(=O)(NCc1cccc(Cl)c1[O-])c1cnn([C@H]2CCOC2)c1	ZINC000908327964	855339775	/nfs/dbraw/zinc/33/97/75/855339775.db2.gz	LKQOETIXHIDUFF-NSHDSACASA-N	-1	1	357.819	1.682	20	10		FDCDMM
CS(=O)(=O)c1ccc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1	ZINC000916607048	881816680	/nfs/dbraw/zinc/81/66/80/881816680.db2.gz	OGDGQCHEVANYRY-UHFFFAOYSA-N	-1	1	350.348	1.541	20	10		FDCDMM
COCCN1C(=O)C(=CNC2C3CC4CC(C3)CC2C4)C(=O)[N-]C1=S	ZINC000920979539	887363353	/nfs/dbraw/zinc/36/33/53/887363353.db2.gz	QFRZWLSRKPKCFD-NTEUORMPSA-N	-1	1	363.483	1.174	20	10		FDCDMM
Cn1cc(S(=O)(=O)[N-]Cc2c(O)cccc2F)c(C(F)(F)F)n1	ZINC000921451933	888016122	/nfs/dbraw/zinc/01/61/22/888016122.db2.gz	YXPVMDPEMKXSMB-UHFFFAOYSA-N	-1	1	353.297	1.762	20	10		FDCDMM
Cn1nccc1CCNC(=O)NCc1cccc(Br)c1[O-]	ZINC000764803620	905702709	/nfs/dbraw/zinc/70/27/09/905702709.db2.gz	AYQMOTLPXYKCBP-UHFFFAOYSA-N	-1	1	353.220	1.930	20	10		FDCDMM
O=C(C[C@@H]1C=CS(=O)(=O)C1)NCc1cccc(Br)c1[O-]	ZINC000765752084	908750222	/nfs/dbraw/zinc/75/02/22/908750222.db2.gz	VVHALYXAYBVTMJ-VIFPVBQESA-N	-1	1	360.229	1.719	20	10		FDCDMM
CC1(C)NC(=O)N(CC(=O)NCc2cccc(Br)c2[O-])C1=O	ZINC000765763591	909151251	/nfs/dbraw/zinc/15/12/51/909151251.db2.gz	FBBMSSQKXZHHPK-UHFFFAOYSA-N	-1	1	370.203	1.101	20	10		FDCDMM
COC(=O)c1ccc(S(=O)(=O)[N-]CCCSc2nccs2)o1	ZINC000733900368	922475665	/nfs/dbraw/zinc/47/56/65/922475665.db2.gz	YBOQCDLFTGIJHR-UHFFFAOYSA-N	-1	1	362.454	1.983	20	10		FDCDMM
Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@H]2c2nn[n-]n2)cc1	ZINC000737329366	925003435	/nfs/dbraw/zinc/00/34/35/925003435.db2.gz	JEHUSWKZBDEMBD-INIZCTEOSA-N	-1	1	352.398	1.821	20	10		FDCDMM
COCCN(Cc1cccs1)Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1	ZINC000738063779	925098711	/nfs/dbraw/zinc/09/87/11/925098711.db2.gz	BSCOBAXWIMUCID-UHFFFAOYSA-N	-1	1	362.411	1.843	20	10		FDCDMM
C[C@H](C(=O)NCc1cccc(Br)c1[O-])N1C(=O)CCC1=O	ZINC000765737127	940547632	/nfs/dbraw/zinc/54/76/32/940547632.db2.gz	QJDZOZNJJZXZNF-MRVPVSSYSA-N	-1	1	355.188	1.308	20	10		FDCDMM
O=C(NCCN1CCCC1=O)NCc1cccc(Br)c1[O-]	ZINC000845483293	949418006	/nfs/dbraw/zinc/41/80/06/949418006.db2.gz	KJPVROXOEHJDTR-UHFFFAOYSA-N	-1	1	356.220	1.576	20	10		FDCDMM
CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)c1ccc([O-])c(O)c1	ZINC001145048182	951782310	/nfs/dbraw/zinc/78/23/10/951782310.db2.gz	VDJZOZOEQTZDFN-OAHLLOKOSA-N	-1	1	366.414	1.946	20	10		FDCDMM
Cc1cc(C(=O)N2CCSC[C@@H]2c2nn[n-]n2)c(C)n1-c1ccccn1	ZINC000773161007	957762000	/nfs/dbraw/zinc/76/20/00/957762000.db2.gz	JUWDNAAABCDLKL-CQSZACIVSA-N	-1	1	369.454	1.933	20	10		FDCDMM
O=C(CNC(=O)C1(C(=O)Nc2ccc(F)cc2)CC1)c1ccc([O-])c(O)c1	ZINC001182573369	962316428	/nfs/dbraw/zinc/31/64/28/962316428.db2.gz	PQHGDANRJGKRDD-UHFFFAOYSA-N	-1	1	372.352	1.955	20	10		FDCDMM
COc1c([O-])c(CN2CC[C@H]3CS(=O)(=O)C[C@H]3C2)ccc1[N+](=O)[O-]	ZINC001183672327	963214968	/nfs/dbraw/zinc/21/49/68/963214968.db2.gz	LAKVNVKQOLGSBU-NWDGAFQWSA-N	-1	1	356.400	1.176	20	10		FDCDMM
Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)NCc3nccn3C)cc12	ZINC001184355311	963559160	/nfs/dbraw/zinc/55/91/60/963559160.db2.gz	WLKOIJZMOIWBSV-UHFFFAOYSA-N	-1	1	370.409	1.289	20	10		FDCDMM
Cc1cc(C(F)(F)F)nn1CC(=O)NCC(=O)c1ccc([O-])c(O)c1	ZINC001176951986	963614949	/nfs/dbraw/zinc/61/49/49/963614949.db2.gz	BWHWQWYZISNSSU-UHFFFAOYSA-N	-1	1	357.288	1.621	20	10		FDCDMM
CCn1cc(CNC(=O)NCc2cccc(Br)c2[O-])nn1	ZINC000852537082	967407733	/nfs/dbraw/zinc/40/77/33/967407733.db2.gz	PRPJTEBECYBEGM-UHFFFAOYSA-N	-1	1	354.208	1.766	20	10		FDCDMM
COC(=O)N(C)CCNC(=O)NCc1cccc(Br)c1[O-]	ZINC000852658453	967507836	/nfs/dbraw/zinc/50/78/36/967507836.db2.gz	ZMBOGNBMAHHYPK-UHFFFAOYSA-N	-1	1	360.208	1.652	20	10		FDCDMM
O=C(CNC(=O)c1ccc(OC2COC2)c(F)c1)c1ccc([O-])c(O)c1	ZINC001190489928	967926963	/nfs/dbraw/zinc/92/69/63/967926963.db2.gz	BCAJZGYXXLYBLI-UHFFFAOYSA-N	-1	1	361.325	1.627	20	10		FDCDMM
CCOC(=O)c1cnc(C)c(C(=O)NCC(=O)c2ccc([O-])c(O)c2)c1	ZINC001199690855	974466196	/nfs/dbraw/zinc/46/61/96/974466196.db2.gz	BBCYRGVDVPZDDR-UHFFFAOYSA-N	-1	1	358.350	1.591	20	10		FDCDMM
Cc1nc2ccccn2c(=O)c1C(=O)NCC(=O)c1ccc([O-])c(O)c1	ZINC001201365644	975014170	/nfs/dbraw/zinc/01/41/70/975014170.db2.gz	HULJGEARNAGBDX-UHFFFAOYSA-N	-1	1	353.334	1.027	20	10		FDCDMM
COc1ccc(O)c([C@H](C)NC(=O)Cc2noc(C)c2-c2nnn[n-]2)c1	ZINC000826210406	979954233	/nfs/dbraw/zinc/95/42/33/979954233.db2.gz	QCKAJTWQRAFFNZ-QMMMGPOBSA-N	-1	1	358.358	1.297	20	10		FDCDMM
COc1ccc(O)c([C@H](C)NC(=O)Cc2noc(C)c2-c2nn[n-]n2)c1	ZINC000826210406	979954241	/nfs/dbraw/zinc/95/42/41/979954241.db2.gz	QCKAJTWQRAFFNZ-QMMMGPOBSA-N	-1	1	358.358	1.297	20	10		FDCDMM
CN1CCN(c2ccc(CNC(=O)c3cc([O-])ccc3[N+](=O)[O-])cc2)CC1	ZINC000881853894	980218552	/nfs/dbraw/zinc/21/85/52/980218552.db2.gz	NTEMKCWIIMZRLJ-UHFFFAOYSA-N	-1	1	370.409	1.982	20	10		FDCDMM
C[C@@H](NCc1nnc2n1CCNC2=O)c1cccc(C(F)(F)F)c1[O-]	ZINC000883304124	982061390	/nfs/dbraw/zinc/06/13/90/982061390.db2.gz	NUFMTHQXYHDOJR-MRVPVSSYSA-N	-1	1	355.320	1.597	20	10		FDCDMM
CCN(CC)c1ccc(C[N-]S(=O)(=O)c2cc(C(=O)OC)no2)cc1	ZINC000858908768	982365239	/nfs/dbraw/zinc/36/52/39/982365239.db2.gz	BTJRMGMVFSTVDO-UHFFFAOYSA-N	-1	1	367.427	1.786	20	10		FDCDMM
CON(C)C(=O)[C@H](C)NC(=O)NCc1cccc(Br)c1[O-]	ZINC000858973576	982421856	/nfs/dbraw/zinc/42/18/56/982421856.db2.gz	ZFFLDHMBTUEINL-QMMMGPOBSA-N	-1	1	360.208	1.362	20	10		FDCDMM
CC(=O)c1cc(Cl)cc(CN2CCC(NS(N)(=O)=O)CC2)c1[O-]	ZINC000859957047	983121447	/nfs/dbraw/zinc/12/14/47/983121447.db2.gz	MVNJXLQUMGWKBS-UHFFFAOYSA-N	-1	1	361.851	1.006	20	10		FDCDMM
COc1ccc(N2CC[C@@H](C[N-]S(=O)(=O)c3ccns3)C2)cc1	ZINC000885251900	985269449	/nfs/dbraw/zinc/26/94/49/985269449.db2.gz	PNNKZXURFNIOFV-LBPRGKRZSA-N	-1	1	353.469	1.957	20	10		FDCDMM
COC(=O)COc1ccc(N(C)Cc2nc3c(c(=O)[n-]2)COCC3)cc1	ZINC000878407735	993944130	/nfs/dbraw/zinc/94/41/30/993944130.db2.gz	ZSXZVKSSIWOICS-UHFFFAOYSA-N	-1	1	359.382	1.443	20	10		FDCDMM
C[C@@H](S[C@H](C)C(=O)NCc1ccc(N2CCN(C)CC2)cc1)C(=O)[O-]	ZINC000887313921	997153323	/nfs/dbraw/zinc/15/33/23/997153323.db2.gz	NWGIYTAEQYDPOW-ZIAGYGMSSA-N	-1	1	365.499	1.649	20	10		FDCDMM
COCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(O)cc2C)c1	ZINC000795323934	1006076239	/nfs/dbraw/zinc/07/62/39/1006076239.db2.gz	JVRDMDNJOJWTPA-UHFFFAOYSA-N	-1	1	364.423	1.878	20	10		FDCDMM
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1coc(S(=O)(=O)[N-]C)c1	ZINC000123466695	524755406	/nfs/dbraw/zinc/75/54/06/524755406.db2.gz	YMAZRRWAKUARLD-UHFFFAOYSA-N	-1	1	365.455	1.916	20	10		FDCDMM
O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)[C@@H]1CCNC(=O)C1	ZINC000152671349	524966937	/nfs/dbraw/zinc/96/69/37/524966937.db2.gz	VHSSIJJIHJMURR-IUODEOHRSA-N	-1	1	365.861	1.652	20	10		FDCDMM
Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCc1ccc(N(C)C)c(F)c1	ZINC000104873083	525445542	/nfs/dbraw/zinc/44/55/42/525445542.db2.gz	UKIJVUIBEBSYLT-UHFFFAOYSA-N	-1	1	371.416	1.703	20	10		FDCDMM
CN(C)C(=O)CN1CCCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1	ZINC000129364056	525648567	/nfs/dbraw/zinc/64/85/67/525648567.db2.gz	TULJIMUZIWMVQE-UHFFFAOYSA-N	-1	1	370.837	1.550	20	10		FDCDMM
Cc1ccc(C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c(O)c1O	ZINC000281639069	537571151	/nfs/dbraw/zinc/57/11/51/537571151.db2.gz	HFGFUKNWGYOVNR-UHFFFAOYSA-N	-1	1	360.332	1.937	20	10		FDCDMM
CC[C@@H]1CN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CCN1C[C@H](C)O	ZINC000736942871	600213770	/nfs/dbraw/zinc/21/37/70/600213770.db2.gz	FSVNZNXIIZJDPO-KSLFURFDSA-N	-1	1	363.414	1.974	20	10		FDCDMM
CCN(CC(=O)NCCC(=O)[O-])Cc1cc(Br)ccc1O	ZINC000829624584	600857032	/nfs/dbraw/zinc/85/70/32/600857032.db2.gz	ZMPBNRULPWEJRU-UHFFFAOYSA-N	-1	1	359.220	1.568	20	10		FDCDMM
COc1ccc(N2CCN(C(=O)CN[C@@H](C(=O)[O-])C(C)(C)C)CC2)cc1	ZINC000832383859	601602918	/nfs/dbraw/zinc/60/29/18/601602918.db2.gz	OVFUXUTUODBNTQ-KRWDZBQOSA-N	-1	1	363.458	1.433	20	10		FDCDMM
C[C@H](NC(=O)[O-])C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	ZINC000825177533	605520663	/nfs/dbraw/zinc/52/06/63/605520663.db2.gz	LRODQNUBDNXYAU-GWCFXTLKSA-N	-1	1	355.822	1.782	20	10		FDCDMM
COc1ccc(N2CCN(C(=O)c3ccc(-c4nnn[n-]4)s3)CC2)cc1	ZINC000821832000	606489122	/nfs/dbraw/zinc/48/91/22/606489122.db2.gz	VLDPGFYXYQYSAC-UHFFFAOYSA-N	-1	1	370.438	1.899	20	10		FDCDMM
COc1ccc(N2CCN(C(=O)c3ccc(-c4nn[n-]n4)s3)CC2)cc1	ZINC000821832000	606489123	/nfs/dbraw/zinc/48/91/23/606489123.db2.gz	VLDPGFYXYQYSAC-UHFFFAOYSA-N	-1	1	370.438	1.899	20	10		FDCDMM
C[C@@H]1CCNC(=O)[C@@H]1NC(=O)NCc1cccc(Br)c1[O-]	ZINC000282226917	675615022	/nfs/dbraw/zinc/61/50/22/675615022.db2.gz	NFZAYIAUUQPDQT-LDYMZIIASA-N	-1	1	356.220	1.479	20	10		FDCDMM
CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c(F)ccc(O)c1[O-]	ZINC000295369179	676404617	/nfs/dbraw/zinc/40/46/17/676404617.db2.gz	LKUIEFIUNBVMNH-WOFXILAISA-N	-1	1	352.362	1.832	20	10		FDCDMM
O=S(=O)(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)[C@@H]1CCOC1	ZINC000378235478	678723902	/nfs/dbraw/zinc/72/39/02/678723902.db2.gz	RCIUJEVACWJRIV-LSDHHAIUSA-N	-1	1	374.890	1.718	20	10		FDCDMM
CC1=C(C(=O)OCC(=O)c2ccc([O-])c(O)c2)[C@H](C)n2ncnc2N1C	ZINC000784920302	769346820	/nfs/dbraw/zinc/34/68/20/769346820.db2.gz	AJQGHXLRZBAMKK-JTQLQIEISA-N	-1	1	358.354	1.400	20	10		FDCDMM
O=C(Cc1cnn(-c2ccccc2)n1)OCC(=O)c1ccc([O-])c(O)c1	ZINC000783027656	792000342	/nfs/dbraw/zinc/00/03/42/792000342.db2.gz	ICVSIEXLKOJXLH-UHFFFAOYSA-N	-1	1	353.334	1.647	20	10		FDCDMM
CC[C@H](NC(=O)NCc1cccc(Cl)c1[O-])C(=O)N1CCOCC1	ZINC000893515973	804872497	/nfs/dbraw/zinc/87/24/97/804872497.db2.gz	MSNACUNUPDJGML-ZDUSSCGKSA-N	-1	1	355.822	1.482	20	10		FDCDMM
C[C@H](C(=O)OCC(=O)c1ccc([O-])c(O)c1)N1C(=O)c2ccccc2C1=O	ZINC000916590493	881786189	/nfs/dbraw/zinc/78/61/89/881786189.db2.gz	GSASUXISQPGRLG-SNVBAGLBSA-N	-1	1	369.329	1.508	20	10		FDCDMM
Cc1ccc(S(C)(=O)=O)cc1C(=O)OCC(=O)c1ccc([O-])c(O)c1	ZINC000916611509	881828155	/nfs/dbraw/zinc/82/81/55/881828155.db2.gz	OORRGXORGVAGDU-UHFFFAOYSA-N	-1	1	364.375	1.849	20	10		FDCDMM
CS(=O)(=O)Nc1ccc([O-])c(-c2nc(-c3ccc(C(N)=O)cc3)no2)c1	ZINC000761533969	871476820	/nfs/dbraw/zinc/47/68/20/871476820.db2.gz	MQYBUOGVQQMGNH-UHFFFAOYSA-N	-1	1	374.378	1.580	20	10		FDCDMM
COC(=O)c1ccccc1NC=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O	ZINC000920976690	887360452	/nfs/dbraw/zinc/36/04/52/887360452.db2.gz	QABFCJIFLMXNTA-XYOKQWHBSA-N	-1	1	361.423	1.668	20	10		FDCDMM
NC(=O)c1cccc(NC(=O)NCc2cccc(Br)c2[O-])n1	ZINC000765315894	906770195	/nfs/dbraw/zinc/77/01/95/906770195.db2.gz	DYROAXAWWUGDJJ-UHFFFAOYSA-N	-1	1	365.187	1.970	20	10		FDCDMM
O=C(NCc1cccc(Br)c1[O-])[C@@]12CCC(=O)N1CCS2	ZINC000765733445	908386649	/nfs/dbraw/zinc/38/66/49/908386649.db2.gz	YSFQPWLFUZLCLE-AWEZNQCLSA-N	-1	1	371.256	1.836	20	10		FDCDMM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2ccccc2-c2nc[nH]n2)c1	ZINC000770832088	930298071	/nfs/dbraw/zinc/29/80/71/930298071.db2.gz	SHRVPNBQRBMJHL-UHFFFAOYSA-N	-1	1	373.394	1.801	20	10		FDCDMM
Cc1ccc(C(=O)NCCNC(=O)c2c(F)ccc(O)c2[O-])cc1F	ZINC000789953406	933266501	/nfs/dbraw/zinc/26/65/01/933266501.db2.gz	RJVHRXKBETWLJP-UHFFFAOYSA-N	-1	1	350.321	1.844	20	10		FDCDMM
CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(S(N)(=O)=O)cc1	ZINC000790418601	933528686	/nfs/dbraw/zinc/52/86/86/933528686.db2.gz	XILKAXZEZXGBFQ-UHFFFAOYSA-N	-1	1	356.425	1.403	20	10		FDCDMM
COC(=O)Cn1cc(S(=O)(=O)Nc2cc(Cl)c([O-])cc2F)cn1	ZINC000808114300	940519592	/nfs/dbraw/zinc/51/95/92/940519592.db2.gz	VKPVZQINRPFKCF-UHFFFAOYSA-N	-1	1	363.754	1.355	20	10		FDCDMM
Cc1onc(N)c1S(=O)(=O)[N-]Cc1cc(Br)ccc1O	ZINC000809845029	940906098	/nfs/dbraw/zinc/90/60/98/940906098.db2.gz	AQZSSOKUYQYMQH-UHFFFAOYSA-N	-1	1	362.205	1.512	20	10		FDCDMM
O=C(NCc1ccc(N2CCC(O)CC2)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000856213169	970987287	/nfs/dbraw/zinc/98/72/87/970987287.db2.gz	XNUJHVKMYCQRDX-UHFFFAOYSA-N	-1	1	372.381	1.587	20	10		FDCDMM
COc1c(F)cc(CC(=O)NCC(=O)c2ccc([O-])c(O)c2)cc1F	ZINC001181655955	961032479	/nfs/dbraw/zinc/03/24/79/961032479.db2.gz	ZLALTWOETYZBHA-UHFFFAOYSA-N	-1	1	351.305	1.926	20	10		FDCDMM
O=C(Cn1ccc2ccccc2c1=O)NCC(=O)c1ccc([O-])c(O)c1	ZINC001182764780	962532713	/nfs/dbraw/zinc/53/27/13/962532713.db2.gz	QDCVNYIWZGXUTN-UHFFFAOYSA-N	-1	1	352.346	1.412	20	10		FDCDMM
CO[C@@H]1CCCN(C(=O)CN(C)Cc2cc3c(C)cc(=O)oc3cc2[O-])C1	ZINC001184358648	963541745	/nfs/dbraw/zinc/54/17/45/963541745.db2.gz	BIBQYFOXYGRGSB-OAHLLOKOSA-N	-1	1	374.437	1.876	20	10		FDCDMM
Cc1cccc(N2CC[C@H](C(=O)NCC(=O)c3ccc([O-])c(O)c3)C2=O)c1	ZINC001184635182	963673864	/nfs/dbraw/zinc/67/38/64/963673864.db2.gz	CGHBSWSIQMXTPR-OAHLLOKOSA-N	-1	1	368.389	1.758	20	10		FDCDMM
COC(=O)[C@H](Cc1ccccc1)NC(=O)NCC(=O)c1ccc([O-])c(O)c1	ZINC001189853315	967357164	/nfs/dbraw/zinc/35/71/64/967357164.db2.gz	BQKMZPXPIAJGJN-AWEZNQCLSA-N	-1	1	372.377	1.364	20	10		FDCDMM
NC(=O)c1ccccc1OCCNC(=O)c1ccc(O)c([O-])c1Cl	ZINC001193247226	969574226	/nfs/dbraw/zinc/57/42/26/969574226.db2.gz	PWKCWAPDFJZERM-UHFFFAOYSA-N	-1	1	350.758	1.659	20	10		FDCDMM
O=C(CNC(=O)c1ccc(O)c([O-])c1Cl)NCc1ccc(F)cc1	ZINC001193247550	969575199	/nfs/dbraw/zinc/57/51/99/969575199.db2.gz	ZMDSVUAUSLHMQO-UHFFFAOYSA-N	-1	1	352.749	1.937	20	10		FDCDMM
N=C(NC(=O)c1cc(O)c(O)c(Cl)c1)SCCS(=O)(=O)[O-]	ZINC001193625386	969773888	/nfs/dbraw/zinc/77/38/88/969773888.db2.gz	IAMAZQLMVUXKKE-UHFFFAOYSA-N	-1	1	354.793	1.037	20	10		FDCDMM
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CCc2nn[n-]n2)cc1	ZINC000865061188	974048866	/nfs/dbraw/zinc/04/88/66/974048866.db2.gz	ZRUPBFNWLISPQV-MRXNPFEDSA-N	-1	1	358.446	1.406	20	10		FDCDMM
COc1ccc(N2CC[C@H]([N-]S(=O)(=O)N=S3(=O)CCCC3)C2)cc1	ZINC000867496897	976254348	/nfs/dbraw/zinc/25/43/48/976254348.db2.gz	KEPHZRCZJKYGSP-ZDUSSCGKSA-N	-1	1	373.500	1.370	20	10		FDCDMM
COC(=O)c1cc(C)ccc1S(=O)(=O)Nc1ccc(O)cc1C(=O)[O-]	ZINC000776434960	977546239	/nfs/dbraw/zinc/54/62/39/977546239.db2.gz	TUVRWQPQOQWGRY-UHFFFAOYSA-N	-1	1	365.363	1.986	20	10		FDCDMM
CC(=O)c1cc(F)cc(C[NH2+]C2(CC(=O)[O-])CCS(=O)(=O)CC2)c1[O-]	ZINC001589271143	985969163	/nfs/dbraw/zinc/96/91/63/985969163.db2.gz	OXTQGNCUMBGISD-UHFFFAOYSA-N	-1	1	373.402	1.246	20	10		FDCDMM
COC(=O)c1cn([C@@H]2CC[N@H+](Cc3cc(F)cc(C(C)=O)c3O)C2)nn1	ZINC000363907260	989457996	/nfs/dbraw/zinc/45/79/96/989457996.db2.gz	JBQJGPWXZAAMES-CYBMUJFWSA-N	-1	1	362.361	1.559	20	10		FDCDMM
CC(C)c1nn(C)cc1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000796469455	1015585155	/nfs/dbraw/zinc/58/51/55/1015585155.db2.gz	UMTXMNQWKWRLMF-UHFFFAOYSA-N	-1	1	352.416	1.873	20	10		FDCDMM
CNC(=O)NC[C@H]1COCCN1Cc1cc(Cl)cc(C(C)=O)c1[O-]	ZINC000879423860	994902919	/nfs/dbraw/zinc/90/29/19/994902919.db2.gz	GOWBPDRFPDGAOL-ZDUSSCGKSA-N	-1	1	355.822	1.378	20	10		FDCDMM
COC(=O)[C@@H]1CN(C)CCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C1	ZINC001598817330	996285257	/nfs/dbraw/zinc/28/52/57/996285257.db2.gz	GPKDGNHYUGWINT-DIECRNLCSA-N	-1	1	363.370	1.234	20	10		FDCDMM
COC(=O)[C@H]1CC[C@@H](C(=O)NCc2cccc(Br)c2[O-])O1	ZINC000290451762	537354261	/nfs/dbraw/zinc/35/42/61/537354261.db2.gz	OPMDCNMRZHEODL-WDEREUQCSA-N	-1	1	358.188	1.492	20	10		FDCDMM
CC[N@@H+](CC(=O)[O-])Cc1cc(C(C)=O)cc(CN2CCOCC2)c1[O-]	ZINC000737074629	600026276	/nfs/dbraw/zinc/02/62/76/600026276.db2.gz	IRNKCZGIHLDJKK-UHFFFAOYSA-N	-1	1	350.415	1.334	20	10		FDCDMM
C[C@H](Oc1ccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc1)C(=O)[O-]	ZINC000006763230	602110663	/nfs/dbraw/zinc/11/06/63/602110663.db2.gz	PKBBOADCCAHTAD-JASJWYONSA-N	-1	1	352.346	2.000	20	10		FDCDMM
CC1CCN(CC(=O)NC[C@@H](NC(=O)[O-])c2ccc(N(C)C)cc2)CC1	ZINC000825943610	604865595	/nfs/dbraw/zinc/86/55/95/604865595.db2.gz	FMLFIODAHDOCAR-QGZVFWFLSA-N	-1	1	362.474	1.909	20	10		FDCDMM
COc1ccc(N2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)cc1F	ZINC000826209726	608430307	/nfs/dbraw/zinc/43/03/07/608430307.db2.gz	NVCGXGMMKXUKNA-UHFFFAOYSA-N	-1	1	356.365	1.131	20	10		FDCDMM
COc1ccc(N2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)cc1F	ZINC000826209726	608430308	/nfs/dbraw/zinc/43/03/08/608430308.db2.gz	NVCGXGMMKXUKNA-UHFFFAOYSA-N	-1	1	356.365	1.131	20	10		FDCDMM
CC(C)(NS(C)(=O)=O)C(=O)NCc1cccc(Br)c1[O-]	ZINC000277429639	674941138	/nfs/dbraw/zinc/94/11/38/674941138.db2.gz	DNEOFMOACOAHFZ-UHFFFAOYSA-N	-1	1	365.249	1.099	20	10		FDCDMM
C[C@H](CN1CCCC1=O)NC(=O)NCc1cccc(Br)c1[O-]	ZINC000277485424	674952512	/nfs/dbraw/zinc/95/25/12/674952512.db2.gz	PZZQKSPFEXYSDD-SNVBAGLBSA-N	-1	1	370.247	1.965	20	10		FDCDMM
C[C@H]1CCNC(=O)[C@@H]1NC(=O)NCc1cccc(Br)c1[O-]	ZINC000282226906	675615135	/nfs/dbraw/zinc/61/51/35/675615135.db2.gz	NFZAYIAUUQPDQT-GZMMTYOYSA-N	-1	1	356.220	1.479	20	10		FDCDMM
O=S(=O)(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)[C@H]1CCOC1	ZINC000378235474	678724048	/nfs/dbraw/zinc/72/40/48/678724048.db2.gz	RCIUJEVACWJRIV-GJZGRUSLSA-N	-1	1	374.890	1.718	20	10		FDCDMM
O=C(CCCS(=O)(=O)N1CCCC1)NCc1cccc(Cl)c1[O-]	ZINC000890757512	771586713	/nfs/dbraw/zinc/58/67/13/771586713.db2.gz	GQNKKQKZHHVZLJ-UHFFFAOYSA-N	-1	1	360.863	1.868	20	10		FDCDMM
O=C(NCc1cccc(Cl)c1[O-])[C@@H]1CC[C@H](CN2CCOCC2)O1	ZINC000890762367	771634258	/nfs/dbraw/zinc/63/42/58/771634258.db2.gz	AKQYBMMHSCQFKL-HIFRSBDPSA-N	-1	1	354.834	1.542	20	10		FDCDMM
O=C(NCc1ccc(N2CCOCC2)cc1)c1nc2ccccc2c(=O)[n-]1	ZINC000097104794	780937377	/nfs/dbraw/zinc/93/73/77/780937377.db2.gz	HWGZKNVMLKEWLH-UHFFFAOYSA-N	-1	1	364.405	1.690	20	10		FDCDMM
O=C(NCc1cccc(Br)c1[O-])NC[C@H]1C[C@@H]2COC[C@@H]2O1	ZINC000926667010	785278902	/nfs/dbraw/zinc/27/89/02/785278902.db2.gz	NGURJWULSNGLPF-WZRBSPASSA-N	-1	1	371.231	1.758	20	10		FDCDMM
CN1CCN(c2ccc(CNC(=O)N[C@@H]3CC[C@H](C(=O)[O-])C3)cc2)CC1	ZINC000898844702	845311900	/nfs/dbraw/zinc/31/19/00/845311900.db2.gz	KIIKUHGSNSRBGM-JKSUJKDBSA-N	-1	1	360.458	1.491	20	10		FDCDMM
O=S(=O)(NCc1cccc(Cl)c1[O-])c1cnn(CC(F)F)c1	ZINC000908326439	855338321	/nfs/dbraw/zinc/33/83/21/855338321.db2.gz	APIBTXCXHRNVTR-UHFFFAOYSA-N	-1	1	351.762	1.986	20	10		FDCDMM
COc1cccc(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)cc2)c1	ZINC000727352681	910790719	/nfs/dbraw/zinc/79/07/19/910790719.db2.gz	HKMOQOCYMXMUME-UHFFFAOYSA-N	-1	1	356.425	1.868	20	10		FDCDMM
CCn1cc(S(=O)(=O)NCc2cccc(Br)c2[O-])cn1	ZINC000766206987	922933095	/nfs/dbraw/zinc/93/30/95/922933095.db2.gz	LKPSWYAUEGCKIR-UHFFFAOYSA-N	-1	1	360.233	1.850	20	10		FDCDMM
O=C(NCc1ccc(CN2CCOCC2)cc1)c1c(F)ccc(O)c1[O-]	ZINC000789947254	933263519	/nfs/dbraw/zinc/26/35/19/933263519.db2.gz	TWLPDYHZCNWDFW-UHFFFAOYSA-N	-1	1	360.385	1.999	20	10		FDCDMM
CS(=O)(=O)Nc1ccc(CNC(=O)c2c(F)ccc(O)c2[O-])cc1	ZINC000789956084	933267469	/nfs/dbraw/zinc/26/74/69/933267469.db2.gz	BDRILTFLTZAEHN-UHFFFAOYSA-N	-1	1	354.359	1.538	20	10		FDCDMM
COc1ccc(CN(C)Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)cc1OC	ZINC000846230930	950751579	/nfs/dbraw/zinc/75/15/79/950751579.db2.gz	WMLTWCARCQTPRH-UHFFFAOYSA-N	-1	1	372.381	1.782	20	10		FDCDMM
Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)N[C@H]3CCO[C@H](C)C3)cc12	ZINC001184359301	963541428	/nfs/dbraw/zinc/54/14/28/963541428.db2.gz	DANNWWSYOTVZPK-HIFRSBDPSA-N	-1	1	374.437	1.923	20	10		FDCDMM
COC(=O)c1cc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3)ccc1O	ZINC001186928127	964839354	/nfs/dbraw/zinc/83/93/54/964839354.db2.gz	ZICFKDIQABOQTH-UHFFFAOYSA-N	-1	1	362.363	1.474	20	10		FDCDMM
O=C(CNC(=O)[C@H]1C[C@@]12C(=O)Nc1ccccc12)c1ccc([O-])c(O)c1	ZINC001179432021	964858789	/nfs/dbraw/zinc/85/87/89/964858789.db2.gz	PTIUDCGHNDXWQX-BLVKFPJESA-N	-1	1	352.346	1.307	20	10		FDCDMM
O=S(=O)([N-]c1ccc(O)c(F)c1)c1ccc(N2CCOCC2)nc1	ZINC001188518128	966352644	/nfs/dbraw/zinc/35/26/44/966352644.db2.gz	CVHMQVOUDSFLEO-UHFFFAOYSA-N	-1	1	353.375	1.564	20	10		FDCDMM
CCOC(=O)CCCCCNC(=O)NCC(=O)c1ccc([O-])c(O)c1	ZINC001189681370	967151781	/nfs/dbraw/zinc/15/17/81/967151781.db2.gz	ULRHUYFNFLUXQX-UHFFFAOYSA-N	-1	1	352.387	1.703	20	10		FDCDMM
CO[C@@H]1CS(=O)(=O)[C@H]2CN(Cc3cc(Cl)cc(C(C)=O)c3[O-])C[C@H]21	ZINC000852593860	967450585	/nfs/dbraw/zinc/45/05/85/967450585.db2.gz	PDBXYJTXMCKKDD-ZNMIVQPWSA-N	-1	1	373.858	1.492	20	10		FDCDMM
CCOC(=O)[C@H](CCSC)NC(=O)NCC(=O)c1ccc([O-])c(O)c1	ZINC001193265528	969592638	/nfs/dbraw/zinc/59/26/38/969592638.db2.gz	NSDFMEFKOBJHQR-NSHDSACASA-N	-1	1	370.427	1.265	20	10		FDCDMM
Cc1c(C(=O)NCC(=O)c2ccc([O-])c(O)c2)cccc1S(C)(=O)=O	ZINC001194441615	970196001	/nfs/dbraw/zinc/19/60/01/970196001.db2.gz	YQACDUHCCCVYGF-UHFFFAOYSA-N	-1	1	363.391	1.422	20	10		FDCDMM
COc1ncccc1S(=O)(=O)[N-]c1cccc(N2CCN(C)CC2)c1	ZINC001194705600	970330715	/nfs/dbraw/zinc/33/07/15/970330715.db2.gz	KNPYAZFZUWIERL-UHFFFAOYSA-N	-1	1	362.455	1.643	20	10		FDCDMM
O=C(CNC(=O)c1cn(Cc2ccccn2)cn1)c1ccc([O-])c(O)c1	ZINC001198376015	973030620	/nfs/dbraw/zinc/03/06/20/973030620.db2.gz	HNADDEILIZMTTO-UHFFFAOYSA-N	-1	1	352.350	1.350	20	10		FDCDMM
Cc1cc(S(=O)(=O)[N-]Cc2ccc(N3CCC(O)CC3)cc2)sn1	ZINC000867531421	976319635	/nfs/dbraw/zinc/31/96/35/976319635.db2.gz	AVWZUJPZGOGZCY-UHFFFAOYSA-N	-1	1	367.496	1.891	20	10		FDCDMM
C[C@H](NCc1nnc2n1CCNC2=O)c1cccc(C(F)(F)F)c1[O-]	ZINC000883304125	982060732	/nfs/dbraw/zinc/06/07/32/982060732.db2.gz	NUFMTHQXYHDOJR-QMMMGPOBSA-N	-1	1	355.320	1.597	20	10		FDCDMM
C[C@H]1CN(C(=O)c2c(F)ccc(O)c2[O-])CCN1c1nccn2cnnc12	ZINC000295444562	988682582	/nfs/dbraw/zinc/68/25/82/988682582.db2.gz	NINSPDLKPDQRTE-JTQLQIEISA-N	-1	1	372.360	1.026	20	10		FDCDMM
COC(=O)C1CC(NC(=O)NCc2cccc(Br)c2[O-])C1	ZINC000876125222	992343995	/nfs/dbraw/zinc/34/39/95/992343995.db2.gz	NJNVTWMZKCVBDE-UHFFFAOYSA-N	-1	1	357.204	1.906	20	10		FDCDMM
CN1CCN(c2ccc(CNC(=O)NCC(C)(C)CC(=O)[O-])cc2)CC1	ZINC001598622282	994022832	/nfs/dbraw/zinc/02/28/32/994022832.db2.gz	ABJLPWSACBBNEQ-UHFFFAOYSA-N	-1	1	362.474	1.739	20	10		FDCDMM
CC(=O)c1cc(Cl)cc(CN2CCC[C@H]3OCCNC(=O)[C@H]32)c1[O-]	ZINC000879719940	995218638	/nfs/dbraw/zinc/21/86/38/995218638.db2.gz	QFGSTGZBNIQZLO-CABCVRRESA-N	-1	1	352.818	1.728	20	10		FDCDMM
O=C(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)[C@@H]1CCNC(=O)C1	ZINC000152671218	524968116	/nfs/dbraw/zinc/96/81/16/524968116.db2.gz	VHSSIJJIHJMURR-DOMZBBRYSA-N	-1	1	365.861	1.652	20	10		FDCDMM
CC[N@@H+](CCC(=O)[O-])Cc1cc(C(C)=O)cc(CN2CCOCC2)c1[O-]	ZINC000737096109	600423054	/nfs/dbraw/zinc/42/30/54/600423054.db2.gz	KZTZYSJLXITJDK-UHFFFAOYSA-N	-1	1	364.442	1.724	20	10		FDCDMM
CC(=O)c1cc(Cl)cc(C[N@@H+](CCN2CCOCC2)CC(=O)[O-])c1O	ZINC000825946632	601418056	/nfs/dbraw/zinc/41/80/56/601418056.db2.gz	IDWQCRXARMCJOE-UHFFFAOYSA-N	-1	1	370.833	1.467	20	10		FDCDMM
CC(=O)c1cc(Cl)cc(C[N@H+](CCN2CCOCC2)CC(=O)[O-])c1[O-]	ZINC000825946632	601418057	/nfs/dbraw/zinc/41/80/57/601418057.db2.gz	IDWQCRXARMCJOE-UHFFFAOYSA-N	-1	1	370.833	1.467	20	10		FDCDMM
CC(=O)c1cc(Cl)cc(C[N@@H+](CCN2CCOCC2)CC(=O)[O-])c1[O-]	ZINC000825946632	601418058	/nfs/dbraw/zinc/41/80/58/601418058.db2.gz	IDWQCRXARMCJOE-UHFFFAOYSA-N	-1	1	370.833	1.467	20	10		FDCDMM
O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	ZINC000833180103	604916063	/nfs/dbraw/zinc/91/60/63/604916063.db2.gz	YMEOZJVLVKOOTG-MELADBBJSA-N	-1	1	352.818	1.847	20	10		FDCDMM
C[C@@H]1OCC[C@H]1S(=O)(=O)NCc1cccc(Br)c1[O-]	ZINC000277486280	674952808	/nfs/dbraw/zinc/95/28/08/674952808.db2.gz	MYOJPTGCGMKTCR-GZMMTYOYSA-N	-1	1	350.234	1.752	20	10		FDCDMM
C[C@@H](CS(C)(=O)=O)NC(=O)NCc1cccc(Br)c1[O-]	ZINC000277574735	674970562	/nfs/dbraw/zinc/97/05/62/674970562.db2.gz	RWPQJHZGHYBGJF-QMMMGPOBSA-N	-1	1	365.249	1.387	20	10		FDCDMM
COc1c([O-])c(CN(C2CC2)[C@H]2CCS(=O)(=O)C2)ccc1[N+](=O)[O-]	ZINC000278178710	675103317	/nfs/dbraw/zinc/10/33/17/675103317.db2.gz	GSHYYUPEQLSVSO-LBPRGKRZSA-N	-1	1	356.400	1.461	20	10		FDCDMM
CCS(=O)(=O)C1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CC1	ZINC000278587689	675156954	/nfs/dbraw/zinc/15/69/54/675156954.db2.gz	DSNWMOCGDOAFPC-UHFFFAOYSA-N	-1	1	358.416	1.708	20	10		FDCDMM
O=C(NCc1cccc(Br)c1[O-])[C@@H]1OC[C@H]2COCC[C@@H]21	ZINC000290553924	676213393	/nfs/dbraw/zinc/21/33/93/676213393.db2.gz	XBDXUIJWGRDGCR-UHIISALHSA-N	-1	1	356.216	1.822	20	10		FDCDMM
C[C@H]1CCNC(=O)[C@H]1NC(=O)NCc1cccc(Br)c1[O-]	ZINC000282226912	675615174	/nfs/dbraw/zinc/61/51/74/675615174.db2.gz	NFZAYIAUUQPDQT-KWQFWETISA-N	-1	1	356.220	1.479	20	10		FDCDMM
CC(=O)c1cc(Cl)cc(CN(C)[C@@H]2CCN(S(C)(=O)=O)C2)c1[O-]	ZINC000292089276	676282789	/nfs/dbraw/zinc/28/27/89/676282789.db2.gz	FHPSQPSBBRPLNW-CYBMUJFWSA-N	-1	1	360.863	1.714	20	10		FDCDMM
Cn1c(SCC(=O)c2ccc([O-])c(O)c2)nnc1N1CCOCC1	ZINC000298412495	676460501	/nfs/dbraw/zinc/46/05/01/676460501.db2.gz	MCCKDSFTEQCCOM-UHFFFAOYSA-N	-1	1	350.400	1.038	20	10		FDCDMM
CNC(=O)NC[C@@H]1CN(Cc2cc(Cl)cc(C(C)=O)c2[O-])CCO1	ZINC000528630164	694739757	/nfs/dbraw/zinc/73/97/57/694739757.db2.gz	ZBMUQNBWKBUVTA-CYBMUJFWSA-N	-1	1	355.822	1.378	20	10		FDCDMM
C[C@@]12CCC(=O)N1[C@@H](C(=O)OCC(=O)c1ccc([O-])c(O)c1)CS2	ZINC000916599451	881805258	/nfs/dbraw/zinc/80/52/58/881805258.db2.gz	PYIBVFZSIGKORU-QLJPJBMISA-N	-1	1	351.380	1.278	20	10		FDCDMM
CC(C)CN1C(=O)C(=CNc2ccc3c(c2)OCCO3)C(=O)[N-]C1=S	ZINC000920976664	887360269	/nfs/dbraw/zinc/36/02/69/887360269.db2.gz	OANDAQPRNVOJJW-XYOKQWHBSA-N	-1	1	361.423	1.653	20	10		FDCDMM
CC(C)CN1C(=O)C(=CNc2ccc(F)c([N+](=O)[O-])c2)C(=O)[N-]C1=S	ZINC000920976113	887360712	/nfs/dbraw/zinc/36/07/12/887360712.db2.gz	PNHZLGHSUVZRJI-UXBLZVDNSA-N	-1	1	366.374	1.929	20	10		FDCDMM
COc1ccc(OC)c(NC=C2C(=O)[N-]C(=S)N(CC(C)C)C2=O)c1	ZINC000920976961	887362517	/nfs/dbraw/zinc/36/25/17/887362517.db2.gz	USNJPMPLVWZUEV-XYOKQWHBSA-N	-1	1	363.439	1.899	20	10		FDCDMM
O=C(CCn1cc([N+](=O)[O-])cn1)NCc1cccc(Br)c1[O-]	ZINC000765751904	908752419	/nfs/dbraw/zinc/75/24/19/908752419.db2.gz	UMNVUMJXDLSAFE-UHFFFAOYSA-N	-1	1	369.175	1.966	20	10		FDCDMM
O=C(CCn1cc[n-]c(=O)c1=O)N(Cc1ccco1)Cc1ccccc1O	ZINC000743431174	926355319	/nfs/dbraw/zinc/35/53/19/926355319.db2.gz	SBXRGENZKSFKSF-UHFFFAOYSA-N	-1	1	369.377	1.454	20	10		FDCDMM
Cc1cc([N-]S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)ccc1O	ZINC000771219639	930543483	/nfs/dbraw/zinc/54/34/83/930543483.db2.gz	LLLNQRVCCYPLIV-UHFFFAOYSA-N	-1	1	370.452	1.752	20	10		FDCDMM
O=C(NCc1cccc(Br)c1[O-])[C@@H]1CCc2nncn2C1	ZINC000816496669	942225079	/nfs/dbraw/zinc/22/50/79/942225079.db2.gz	RINQCMXPDNPZPP-SNVBAGLBSA-N	-1	1	351.204	1.625	20	10		FDCDMM
CC[C@H](CS(=O)(=O)NCc1cccc(Br)c1[O-])OC	ZINC000817139609	942574949	/nfs/dbraw/zinc/57/49/49/942574949.db2.gz	ZPOQTKPFYKDKEO-SNVBAGLBSA-N	-1	1	352.250	1.999	20	10		FDCDMM
COc1ccc(N2CC[C@@H](CNC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)C2)cc1	ZINC000822370276	944956190	/nfs/dbraw/zinc/95/61/90/944956190.db2.gz	JWGJOSRIYUDNTR-LBPRGKRZSA-N	-1	1	372.381	1.960	20	10		FDCDMM
O=C(CNC(=O)[C@H]1[C@H](O)CCN1Cc1ccccc1)c1ccc([O-])c(O)c1	ZINC001143675148	947450170	/nfs/dbraw/zinc/45/01/70/947450170.db2.gz	HLQBAAUQYBTUQO-VQIMIIECSA-N	-1	1	370.405	1.032	20	10		FDCDMM
COc1ccc2c(c1)c1c(n2CC(=O)NN2CC(=O)[N-]C2=O)CCCC1	ZINC000845219774	948823260	/nfs/dbraw/zinc/82/32/60/948823260.db2.gz	OTRZWUSYUSQSCT-UHFFFAOYSA-N	-1	1	356.382	1.112	20	10		FDCDMM
O=C(NCc1cccc(Br)c1[O-])[C@@H]1CCCS(=O)(=O)C1	ZINC000846016193	950336164	/nfs/dbraw/zinc/33/61/64/950336164.db2.gz	QONITQJYKJDGDQ-SNVBAGLBSA-N	-1	1	362.245	1.596	20	10		FDCDMM
Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)NC[C@@H]3CCCCO3)cc12	ZINC001184362358	963543541	/nfs/dbraw/zinc/54/35/41/963543541.db2.gz	QXZVTRXLDYTAML-HNNXBMFYSA-N	-1	1	374.437	1.924	20	10		FDCDMM
Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)NCC3(O)CCC3)cc12	ZINC001184361619	963544155	/nfs/dbraw/zinc/54/41/55/963544155.db2.gz	XXWSGHTWDALSDQ-UHFFFAOYSA-N	-1	1	360.410	1.270	20	10		FDCDMM
COc1c([O-])c(CNCc2nnnn2-c2ccccc2)ccc1[N+](=O)[O-]	ZINC000774984132	964334435	/nfs/dbraw/zinc/33/44/35/964334435.db2.gz	RMCFHVDLPZLHHA-UHFFFAOYSA-N	-1	1	356.342	1.575	20	10		FDCDMM
O=C(Cc1n[nH]c(=O)c2ccccc12)NCC(=O)c1ccc([O-])c(O)c1	ZINC001180200525	965142878	/nfs/dbraw/zinc/14/28/78/965142878.db2.gz	LXGRAZXUSFSJEO-UHFFFAOYSA-N	-1	1	353.334	1.288	20	10		FDCDMM
CCCOc1ccc([C@H](O)C(=O)NCC(=O)c2ccc([O-])c(O)c2)cc1	ZINC001180840892	965608594	/nfs/dbraw/zinc/60/85/94/965608594.db2.gz	ODVZZUDHQDLMEC-SFHVURJKSA-N	-1	1	359.378	1.919	20	10		FDCDMM
O=C(c1ccc(O)c([O-])c1Cl)N1CCN(C2CCOCC2)C(=O)C1	ZINC001193224845	969550024	/nfs/dbraw/zinc/55/00/24/969550024.db2.gz	CFBCWAMIACACTD-UHFFFAOYSA-N	-1	1	354.790	1.215	20	10		FDCDMM
CCOC(=O)[C@@H]1c2n[nH]cc2CCN1C(=O)c1ccc(O)c([O-])c1Cl	ZINC001193232950	969563370	/nfs/dbraw/zinc/56/33/70/969563370.db2.gz	RPIJZMBLOKPLDH-ZDUSSCGKSA-N	-1	1	365.773	1.777	20	10		FDCDMM
O=C(CNC(=O)c1cnc(Oc2cccnc2)nc1)c1ccc([O-])c(O)c1	ZINC001199507791	974329704	/nfs/dbraw/zinc/32/97/04/974329704.db2.gz	XNZFOPADMMXOIH-UHFFFAOYSA-N	-1	1	366.333	1.688	20	10		FDCDMM
CCN1CCN(c2ccc(CNC(=O)NC[C@H](C)C(=O)[O-])cc2F)CC1	ZINC000848578791	976906649	/nfs/dbraw/zinc/90/66/49/976906649.db2.gz	LSHIWORMOLJTFC-ZDUSSCGKSA-N	-1	1	366.437	1.488	20	10		FDCDMM
O=C(COC(=O)[C@H]1CCN(C(=O)c2ccccc2)C1)c1ccc([O-])c(O)c1	ZINC000859940820	983109071	/nfs/dbraw/zinc/10/90/71/983109071.db2.gz	HXGUFFYTPWZUNY-HNNXBMFYSA-N	-1	1	369.373	1.986	20	10		FDCDMM
C[C@H]1CN(CC(C)(C)O)CCN1c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-]	ZINC001594509093	985766850	/nfs/dbraw/zinc/76/68/50/985766850.db2.gz	OIANQQVKFLHGPX-VGVVRCBHSA-N	-1	1	363.414	1.974	20	10		FDCDMM
C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)NCc1ccc(N(C)C)c(F)c1	ZINC001594519408	985952657	/nfs/dbraw/zinc/95/26/57/985952657.db2.gz	UDVSRKSTQAAEBC-ZDUSSCGKSA-N	-1	1	366.437	1.582	20	10		FDCDMM
Cc1cc(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)c(C)n1-c1ccccc1	ZINC000364528138	989625064	/nfs/dbraw/zinc/62/50/64/989625064.db2.gz	FISIHPZANQXCQX-MRXNPFEDSA-N	-1	1	352.398	1.821	20	10		FDCDMM
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CCCc2nn[n-]n2)cc1	ZINC000874253909	989987695	/nfs/dbraw/zinc/98/76/95/989987695.db2.gz	BECJCXRKQMEPQX-KRWDZBQOSA-N	-1	1	372.473	1.796	20	10		FDCDMM
CN(C)c1ccc(CNC(=O)CN2CCSC[C@@H](C(=O)[O-])C2)cc1	ZINC001598318224	991313259	/nfs/dbraw/zinc/31/32/59/991313259.db2.gz	SMAPTDDYEMGLTL-AWEZNQCLSA-N	-1	1	351.472	1.118	20	10		FDCDMM
C[N@H+]1CCN(Cc2cc(Br)cc(F)c2[O-])C[C@H](C(=O)[O-])C1	ZINC001598618757	993952432	/nfs/dbraw/zinc/95/24/32/993952432.db2.gz	UMGKSSHOOOOAPK-SNVBAGLBSA-N	-1	1	361.211	1.742	20	10		FDCDMM
CC(C)Cc1cc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])n[nH]1	ZINC000779380032	1008927011	/nfs/dbraw/zinc/92/70/11/1008927011.db2.gz	QTUYKFXELNOTCW-UHFFFAOYSA-N	-1	1	352.416	1.938	20	10		FDCDMM
NC(=O)c1ccc(F)c([N-]S(=O)(=O)c2cccc3nsnc32)c1	ZINC000084650523	524322697	/nfs/dbraw/zinc/32/26/97/524322697.db2.gz	RQFJKSUAQVRCSP-UHFFFAOYSA-N	-1	1	352.372	1.730	20	10		FDCDMM
CCN(CC)c1ccc(CNC(=O)c2coc(S(=O)(=O)[N-]C)c2)cc1	ZINC000179317285	525556722	/nfs/dbraw/zinc/55/67/22/525556722.db2.gz	BUSAMRMHEZVPQS-UHFFFAOYSA-N	-1	1	365.455	1.964	20	10		FDCDMM
COC(=O)CCCCCNC=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O	ZINC000299248929	537509474	/nfs/dbraw/zinc/50/94/74/537509474.db2.gz	AKUYFNUEYDUJLW-XFXZXTDPSA-N	-1	1	355.460	1.093	20	10		FDCDMM
O=C([O-])/C=C/c1ccc(N2CCN([C@@H]3CCC[C@@H]3O)CC2)c([N+](=O)[O-])c1	ZINC000739623315	599959475	/nfs/dbraw/zinc/95/94/75/599959475.db2.gz	DMPSAUBCPWTARH-XUXNBKRGSA-N	-1	1	361.398	1.728	20	10		FDCDMM
O=C([O-])/C=C\c1ccc(N2CC[C@H](CN3CCOCC3)C2)c([N+](=O)[O-])c1	ZINC000833195509	600819518	/nfs/dbraw/zinc/81/95/18/600819518.db2.gz	GHYUELMUXCLSRD-NSRYLSIASA-N	-1	1	361.398	1.851	20	10		FDCDMM
COc1ccc(N2CCN(CCCNC(=O)[C@H](C)CC(=O)[O-])CC2)cc1	ZINC000832384267	602077892	/nfs/dbraw/zinc/07/78/92/602077892.db2.gz	WWNZHFKXAHJPCA-OAHLLOKOSA-N	-1	1	363.458	1.434	20	10		FDCDMM
C[C@@H](NC(=O)[O-])[C@@H]1CCCN(CC(=O)NCc2ccc(N(C)C)cc2)C1	ZINC000825267567	604257945	/nfs/dbraw/zinc/25/79/45/604257945.db2.gz	ZGBOCXXLWFGWGQ-GDBMZVCRSA-N	-1	1	362.474	1.737	20	10		FDCDMM
CN(CC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C(=O)[O-]	ZINC000828102037	605521558	/nfs/dbraw/zinc/52/15/58/605521558.db2.gz	DEQMWZGMYGRDKZ-CYBMUJFWSA-N	-1	1	355.822	1.736	20	10		FDCDMM
CC(C)N1CC[C@@H](NC(=O)NCc2cccc(Br)c2[O-])C1=O	ZINC000277280964	674905811	/nfs/dbraw/zinc/90/58/11/674905811.db2.gz	AVSIYVUOMODWMI-GFCCVEGCSA-N	-1	1	370.247	1.963	20	10		FDCDMM
C[C@H](NC(=O)NCc1cccc(Br)c1[O-])c1ncnn1C	ZINC000277629289	674984099	/nfs/dbraw/zinc/98/40/99/674984099.db2.gz	WZYWOZLOFWDWNG-QMMMGPOBSA-N	-1	1	354.208	1.844	20	10		FDCDMM
Cn1nc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cc1C1CC1	ZINC000290813533	676234555	/nfs/dbraw/zinc/23/45/55/676234555.db2.gz	FLGLSQMLSIZQDY-UHFFFAOYSA-N	-1	1	350.400	1.627	20	10		FDCDMM
CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]Cc1ccc(N(C)C)cc1	ZINC000298120013	676433108	/nfs/dbraw/zinc/43/31/08/676433108.db2.gz	SHURGGIKIQQCRS-UHFFFAOYSA-N	-1	1	352.416	1.131	20	10		FDCDMM
CCCN(Cc1ccccc1O)C(=O)c1ccc(S(=O)(=O)[N-]C)o1	ZINC000299629812	676538438	/nfs/dbraw/zinc/53/84/38/676538438.db2.gz	KFGKJUCMJUHVIP-UHFFFAOYSA-N	-1	1	352.412	1.946	20	10		FDCDMM
O=C(COC(=O)c1ccc(N2CCOCC2)nc1)c1ccc([O-])c(O)c1	ZINC000782640828	785732030	/nfs/dbraw/zinc/73/20/30/785732030.db2.gz	CWOIXVNZNAUWOF-UHFFFAOYSA-N	-1	1	358.350	1.369	20	10		FDCDMM
COc1nn(C)cc1CNC(=O)NCc1cccc(Br)c1[O-]	ZINC000898556091	844856988	/nfs/dbraw/zinc/85/69/88/844856988.db2.gz	SBGSZQUWWLQIMG-UHFFFAOYSA-N	-1	1	369.219	1.896	20	10		FDCDMM
CN1CCN(c2ccc(CNC(=O)NCC3(C(=O)[O-])CCC3)cc2)CC1	ZINC000898850463	845322472	/nfs/dbraw/zinc/32/24/72/845322472.db2.gz	ZJHCWLFCVSAQOE-UHFFFAOYSA-N	-1	1	360.458	1.493	20	10		FDCDMM
CC(C)[C@@]1(C(=O)[O-])C[C@H]1C(=O)NCc1ccc(N2CCN(C)CC2)cc1	ZINC000899836454	846745643	/nfs/dbraw/zinc/74/56/43/846745643.db2.gz	VMYNDAOZNGOJMT-PXNSSMCTSA-N	-1	1	359.470	1.802	20	10		FDCDMM
CO[C@H](CS(=O)(=O)NCc1cccc(Cl)c1[O-])C1CCOCC1	ZINC000908329127	855341270	/nfs/dbraw/zinc/34/12/70/855341270.db2.gz	PQRRUMFOQYFXHP-CQSZACIVSA-N	-1	1	363.863	1.907	20	10		FDCDMM
O=C([O-])C1(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CC1	ZINC000911369328	858562342	/nfs/dbraw/zinc/56/23/42/858562342.db2.gz	REQZCINGVZJQSD-ZDUSSCGKSA-N	-1	1	352.818	1.991	20	10		FDCDMM
CNS(=O)(=O)c1cccc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c1	ZINC000916590464	881786127	/nfs/dbraw/zinc/78/61/27/881786127.db2.gz	CWOJVWGXLNIZDI-UHFFFAOYSA-N	-1	1	365.363	1.046	20	10		FDCDMM
COCCN1C(=O)C(=CNc2cc(Cl)ccc2F)C(=O)[N-]C1=S	ZINC000920980440	887364137	/nfs/dbraw/zinc/36/41/37/887364137.db2.gz	ODDJXIJCASXDSZ-VQHVLOKHSA-N	-1	1	357.794	1.665	20	10		FDCDMM
Cc1c(NC(=O)C(=O)NCc2cccc(Br)c2[O-])cnn1C	ZINC000765928445	898031154	/nfs/dbraw/zinc/03/11/54/898031154.db2.gz	YZOUPAVUKAUJAX-UHFFFAOYSA-N	-1	1	367.203	1.452	20	10		FDCDMM
CN1CCC[C@H](NC(=O)NCc2cccc(Br)c2[O-])C1=O	ZINC000764791035	905694680	/nfs/dbraw/zinc/69/46/80/905694680.db2.gz	LMYAKEXGKXMPOO-NSHDSACASA-N	-1	1	356.220	1.575	20	10		FDCDMM
C[C@H](NC(=O)NCc1cccc(Br)c1[O-])[C@H]1CN(C)CCO1	ZINC000764798283	905699361	/nfs/dbraw/zinc/69/93/61/905699361.db2.gz	CAAVCSDCPPSNSN-GXFFZTMASA-N	-1	1	372.263	1.673	20	10		FDCDMM
O=S(=O)(C[C@H]1CCOC1)NCc1cccc(Br)c1[O-]	ZINC000766201293	922534351	/nfs/dbraw/zinc/53/43/51/922534351.db2.gz	QPUWNVWSHAWGOO-VIFPVBQESA-N	-1	1	350.234	1.611	20	10		FDCDMM
CCOC(=O)CCS(=O)(=O)NCc1cccc(Br)c1[O-]	ZINC000766207617	922959916	/nfs/dbraw/zinc/95/99/16/922959916.db2.gz	RVLBXQXFEYPHCD-UHFFFAOYSA-N	-1	1	366.233	1.527	20	10		FDCDMM
O=C(COC(=O)[C@H]1CCCN1C(=O)C(F)(F)F)c1ccc([O-])c(O)c1	ZINC000786577570	931948260	/nfs/dbraw/zinc/94/82/60/931948260.db2.gz	OPAGMOZGBIWYKM-SECBINFHSA-N	-1	1	361.272	1.377	20	10		FDCDMM
O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)c1c(F)ccc(O)c1[O-]	ZINC000789952807	933266437	/nfs/dbraw/zinc/26/64/37/933266437.db2.gz	IYEGUAYLUQHITC-UHFFFAOYSA-N	-1	1	365.361	1.221	20	10		FDCDMM
COc1ccc(N2CC[C@H](CNC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)C2)cc1	ZINC000822370275	944956035	/nfs/dbraw/zinc/95/60/35/944956035.db2.gz	JWGJOSRIYUDNTR-GFCCVEGCSA-N	-1	1	372.381	1.960	20	10		FDCDMM
COc1c([O-])c(CN2CCn3c(CC4CC4)nnc3C2)ccc1[N+](=O)[O-]	ZINC000846012938	950329895	/nfs/dbraw/zinc/32/98/95/950329895.db2.gz	CKUGDPGSJCBYMI-UHFFFAOYSA-N	-1	1	359.386	1.869	20	10		FDCDMM
O=C([O-])CN1CCCC[C@H]([NH2+]Cc2ccc(Br)cc2[O-])C1=O	ZINC001595095597	951811085	/nfs/dbraw/zinc/81/10/85/951811085.db2.gz	GWWBOJKNHCHQKQ-LBPRGKRZSA-N	-1	1	371.231	1.710	20	10		FDCDMM
C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)o1	ZINC000773019486	953764435	/nfs/dbraw/zinc/76/44/35/953764435.db2.gz	XWRWZWSWTDSNGY-NSHDSACASA-N	-1	1	351.428	1.745	20	10		FDCDMM
O=C(CNC(=O)C1CCC(O)(C(F)(F)F)CC1)c1ccc([O-])c(O)c1	ZINC001181735518	961099876	/nfs/dbraw/zinc/09/98/76/961099876.db2.gz	GCVJGKMXHXUSAY-UHFFFAOYSA-N	-1	1	361.316	1.880	20	10		FDCDMM
COCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(O)cc2)c1	ZINC000795275744	1013234242	/nfs/dbraw/zinc/23/42/42/1013234242.db2.gz	IHLSBNARXSNSIV-UHFFFAOYSA-N	-1	1	350.396	1.569	20	10		FDCDMM
COc1c([O-])c(CN2CC[C@@H]3CS(=O)(=O)C[C@H]3C2)ccc1[N+](=O)[O-]	ZINC001183672331	963215115	/nfs/dbraw/zinc/21/51/15/963215115.db2.gz	LAKVNVKQOLGSBU-VXGBXAGGSA-N	-1	1	356.400	1.176	20	10		FDCDMM
Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)N[C@H]3CCOC[C@H]3C)cc12	ZINC001184361099	963542204	/nfs/dbraw/zinc/54/22/04/963542204.db2.gz	VOKZWMZZNBATME-CJNGLKHVSA-N	-1	1	374.437	1.780	20	10		FDCDMM
Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)N[C@H]3CCO[C@@H](C)C3)cc12	ZINC001184359304	963542375	/nfs/dbraw/zinc/54/23/75/963542375.db2.gz	DANNWWSYOTVZPK-ZFWWWQNUSA-N	-1	1	374.437	1.923	20	10		FDCDMM
COc1c([O-])c(CN2CCO[C@@H](C(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-]	ZINC000774901362	963995646	/nfs/dbraw/zinc/99/56/46/963995646.db2.gz	CZKBGIASBCLHRS-CYBMUJFWSA-N	-1	1	368.386	1.852	20	10		FDCDMM
O=C(CNS(=O)(=O)Cc1cc(F)ccc1F)c1ccc([O-])c(O)c1	ZINC001189709915	967201972	/nfs/dbraw/zinc/20/19/72/967201972.db2.gz	IWOYTZPJSGPZEG-UHFFFAOYSA-N	-1	1	357.334	1.678	20	10		FDCDMM
Cc1nc(NC(=O)c2ccc(O)c([O-])c2Cl)cc(N2CCOCC2)n1	ZINC001193209278	969537426	/nfs/dbraw/zinc/53/74/26/969537426.db2.gz	HRXDMXCIQKOCTR-UHFFFAOYSA-N	-1	1	364.789	1.939	20	10		FDCDMM
CS(=O)(=O)c1cc(C(=O)NCC(=O)c2ccc([O-])c(O)c2)ccc1F	ZINC001194390553	970152955	/nfs/dbraw/zinc/15/29/55/970152955.db2.gz	WYHLEHBPGLUFGF-UHFFFAOYSA-N	-1	1	367.354	1.253	20	10		FDCDMM
Cc1nc(Cl)sc1S(=O)(=O)[N-]C[C@@H](O)c1ccc(O)c(O)c1	ZINC001201728803	975132741	/nfs/dbraw/zinc/13/27/41/975132741.db2.gz	LLVRPUXBJYAXMH-SNVBAGLBSA-N	-1	1	364.832	1.528	20	10		FDCDMM
O=C(CCc1nn[n-]n1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	ZINC000866139195	975427782	/nfs/dbraw/zinc/42/77/82/975427782.db2.gz	VZPYLKHBMMEPIA-NSHDSACASA-N	-1	1	366.372	1.519	20	10		FDCDMM
O=C(Cn1nnc2c1CCCC2)NCc1cccc(Br)c1[O-]	ZINC000847929338	976177851	/nfs/dbraw/zinc/17/78/51/976177851.db2.gz	SRBSHRWQQOJUNN-UHFFFAOYSA-N	-1	1	365.231	1.941	20	10		FDCDMM
COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(O)c(OC)c1	ZINC000797820172	978835225	/nfs/dbraw/zinc/83/52/25/978835225.db2.gz	JWRJUGFDFUDFLP-UHFFFAOYSA-N	-1	1	353.352	1.908	20	10		FDCDMM
COC(=O)c1oc(S(=O)(=O)[N-]Cc2cccc(OC)c2O)cc1C	ZINC000851764241	979036529	/nfs/dbraw/zinc/03/65/29/979036529.db2.gz	CIWLJWJECOUILU-UHFFFAOYSA-N	-1	1	355.368	1.567	20	10		FDCDMM
COC(=O)[C@H](C[C@H]1CCCOC1)NCc1ccc([N+](=O)[O-])c(OC)c1[O-]	ZINC000862516744	984402432	/nfs/dbraw/zinc/40/24/32/984402432.db2.gz	YBDDVUIAUARVLM-YPMHNXCESA-N	-1	1	368.386	1.757	20	10		FDCDMM
COc1cc(Br)cc(CN2C[C@H](C(=O)[O-])C[C@H](O)C2)c1O	ZINC001599346334	998013460	/nfs/dbraw/zinc/01/34/60/998013460.db2.gz	FYBNKGCGIQIOAX-KOLCDFICSA-N	-1	1	360.204	1.431	20	10		FDCDMM
COCCCn1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])n1	ZINC000271280752	674331191	/nfs/dbraw/zinc/33/11/91/674331191.db2.gz	NXYKENWWDVCZKD-UHFFFAOYSA-N	-1	1	368.415	1.249	20	10		FDCDMM
CCn1nc(C)c(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1C	ZINC000271440423	674343540	/nfs/dbraw/zinc/34/35/40/674343540.db2.gz	VEZKUEAEOPYSSH-UHFFFAOYSA-N	-1	1	352.416	1.849	20	10		FDCDMM
COc1c([O-])c(C[N@H+]2CCCC[C@@H](S(C)(=O)=O)C2)ccc1[N+](=O)[O-]	ZINC000278575407	537339798	/nfs/dbraw/zinc/33/97/98/537339798.db2.gz	CPKCMCFHJLGGDZ-GFCCVEGCSA-N	-1	1	358.416	1.708	20	10		FDCDMM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2cccc(-c3nc[nH]n3)c2)c1	ZINC000365306774	537481815	/nfs/dbraw/zinc/48/18/15/537481815.db2.gz	OHEPKJRUIDVKMT-UHFFFAOYSA-N	-1	1	373.394	1.801	20	10		FDCDMM
O=C(CC(=O)NCC(F)(F)F)NCc1cccc(Br)c1[O-]	ZINC000277549116	537618996	/nfs/dbraw/zinc/61/89/96/537618996.db2.gz	OCAJZRXTEJSENV-UHFFFAOYSA-N	-1	1	369.137	1.840	20	10		FDCDMM
Cn1cnnc1COCC(=O)NCc1cccc(Br)c1[O-]	ZINC000295319231	537712309	/nfs/dbraw/zinc/71/23/09/537712309.db2.gz	LEOIZDQFSXKSCC-UHFFFAOYSA-N	-1	1	355.192	1.116	20	10		FDCDMM
CC(=O)NCC[N@H+](Cc1cc(Br)ccc1[O-])[C@@H](C)C(=O)[O-]	ZINC000819770037	597704664	/nfs/dbraw/zinc/70/46/64/597704664.db2.gz	FLUYZGWXMUJUSX-VIFPVBQESA-N	-1	1	359.220	1.566	20	10		FDCDMM
CC(=O)NCC[N@@H+](Cc1cc(Br)ccc1[O-])[C@@H](C)C(=O)[O-]	ZINC000819770037	597704666	/nfs/dbraw/zinc/70/46/66/597704666.db2.gz	FLUYZGWXMUJUSX-VIFPVBQESA-N	-1	1	359.220	1.566	20	10		FDCDMM
O=C([O-])/C=C\c1ccc(N2CC[C@@H](CN3CCOCC3)C2)c([N+](=O)[O-])c1	ZINC000833195506	600819564	/nfs/dbraw/zinc/81/95/64/600819564.db2.gz	GHYUELMUXCLSRD-HKLWWIALSA-N	-1	1	361.398	1.851	20	10		FDCDMM
COc1ccc(N2CCN(C(=O)CN[C@](C)(C(=O)[O-])C3CC3)CC2)cc1	ZINC000832383323	601031431	/nfs/dbraw/zinc/03/14/31/601031431.db2.gz	FTXJZPOZVVOTJY-IBGZPJMESA-N	-1	1	361.442	1.187	20	10		FDCDMM
COc1ccc(O)c([C@H](C)NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)c1	ZINC000821838092	606166866	/nfs/dbraw/zinc/16/68/66/606166866.db2.gz	KDZBHEJJBOCQGV-QMMMGPOBSA-N	-1	1	358.362	1.197	20	10		FDCDMM
COc1ccc(O)c([C@H](C)NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)c1	ZINC000821838092	606166868	/nfs/dbraw/zinc/16/68/68/606166868.db2.gz	KDZBHEJJBOCQGV-QMMMGPOBSA-N	-1	1	358.362	1.197	20	10		FDCDMM
O=C1C(=Cc2ccc(-c3nnn[n-]3)o2)SC(=S)N1Cc1ccon1	ZINC000823504010	606975830	/nfs/dbraw/zinc/97/58/30/606975830.db2.gz	LCSPCNGIWNNZQZ-BJMVGYQFSA-N	-1	1	360.380	1.849	20	10		FDCDMM
O=C1C(=Cc2ccc(-c3nn[n-]n3)o2)SC(=S)N1Cc1ccon1	ZINC000823504010	606975831	/nfs/dbraw/zinc/97/58/31/606975831.db2.gz	LCSPCNGIWNNZQZ-BJMVGYQFSA-N	-1	1	360.380	1.849	20	10		FDCDMM
C[N-]S(=O)(=O)c1cc(C(=O)NCc2c(O)ccc3c2CCCC3)co1	ZINC000160316305	672001072	/nfs/dbraw/zinc/00/10/72/672001072.db2.gz	ATDCVVVECLFOHU-UHFFFAOYSA-N	-1	1	364.423	1.702	20	10		FDCDMM
O=C(NCc1cccc(Br)c1[O-])[C@@H]1OC[C@@H]2COCC[C@H]12	ZINC000290553904	676213317	/nfs/dbraw/zinc/21/33/17/676213317.db2.gz	XBDXUIJWGRDGCR-COPLHBTASA-N	-1	1	356.216	1.822	20	10		FDCDMM
Cn1ncc(CCCNC(=O)NCc2cccc(Br)c2[O-])n1	ZINC000297794044	676429295	/nfs/dbraw/zinc/42/92/95/676429295.db2.gz	OPKGFALDAXTKRU-UHFFFAOYSA-N	-1	1	368.235	1.715	20	10		FDCDMM
COC(=O)[C@@H]1C[C@@H](OC)CCN1Cc1ccc([N+](=O)[O-])c(OC)c1[O-]	ZINC000370517655	677587075	/nfs/dbraw/zinc/58/70/75/677587075.db2.gz	HIQCJNBNOIFLRN-AAEUAGOBSA-N	-1	1	354.359	1.461	20	10		FDCDMM
O=C(NCc1cccc(Cl)c1[O-])[C@H]1CS(=O)(=O)C[C@H]1C(F)(F)F	ZINC000890761084	771613826	/nfs/dbraw/zinc/61/38/26/771613826.db2.gz	KKZHHOFZLIVMAR-DTWKUNHWSA-N	-1	1	371.764	1.885	20	10		FDCDMM
COC(=O)[C@@H]1CCCN(CC(=O)NCc2cccc(Cl)c2[O-])C1=O	ZINC000890763009	771641678	/nfs/dbraw/zinc/64/16/78/771641678.db2.gz	MNWAJDZPZJNVJF-LLVKDONJSA-N	-1	1	354.790	1.073	20	10		FDCDMM
CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)NCc2cccc(Cl)c2[O-])O1	ZINC000894006424	809863761	/nfs/dbraw/zinc/86/37/61/809863761.db2.gz	UCJILFZYKVXICV-WCQYABFASA-N	-1	1	355.822	1.481	20	10		FDCDMM
C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)C1	ZINC000898859304	845340247	/nfs/dbraw/zinc/34/02/47/845340247.db2.gz	DQSJMZJHFWPZKJ-DOTOQJQBSA-N	-1	1	374.485	1.691	20	10		FDCDMM
CC[C@@H](C(=O)[O-])C(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1	ZINC000911121994	858172911	/nfs/dbraw/zinc/17/29/11/858172911.db2.gz	AXHJTYBAFIPXSB-QGZVFWFLSA-N	-1	1	363.458	1.434	20	10		FDCDMM
COCCN1C(=O)C(=CNc2cccc(C(F)(F)F)c2)C(=O)[N-]C1=S	ZINC000920974788	887358868	/nfs/dbraw/zinc/35/88/68/887358868.db2.gz	ULRYHQXCQXGTHN-DHZHZOJOSA-N	-1	1	373.356	1.891	20	10		FDCDMM
COCCN1C(=O)C(=CNc2ccc(F)c(Cl)c2)C(=O)[N-]C1=S	ZINC000920976601	887360791	/nfs/dbraw/zinc/36/07/91/887360791.db2.gz	YRTSDNDXCVARTG-VQHVLOKHSA-N	-1	1	357.794	1.665	20	10		FDCDMM
NC(=O)NCCCCCC(=O)NCc1cccc(Br)c1[O-]	ZINC000765756106	908849672	/nfs/dbraw/zinc/84/96/72/908849672.db2.gz	KMYMCRNIPYIWBY-UHFFFAOYSA-N	-1	1	358.236	2.000	20	10		FDCDMM
COCCN(Cc1ccnn1C)Cc1ccc([N+](=O)[O-])c(OC)c1[O-]	ZINC000787331397	932254528	/nfs/dbraw/zinc/25/45/28/932254528.db2.gz	KAQAVZYJPGZEKH-UHFFFAOYSA-N	-1	1	350.375	1.691	20	10		FDCDMM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2cccc3[nH]c(=O)[nH]c32)c1	ZINC000816654228	942288719	/nfs/dbraw/zinc/28/87/19/942288719.db2.gz	YQGIUESZNSYIIO-UHFFFAOYSA-N	-1	1	362.367	1.598	20	10		FDCDMM
O=C(C[C@H]1CCCS1(=O)=O)NCc1cccc(Br)c1[O-]	ZINC000822458816	945010613	/nfs/dbraw/zinc/01/06/13/945010613.db2.gz	LOFIJOLVDXPWRZ-SNVBAGLBSA-N	-1	1	362.245	1.738	20	10		FDCDMM
CCOC(=O)c1oc2nccnc2c1[N-]C(=O)c1cc(O)c(O)c(O)c1	ZINC001148581697	952757298	/nfs/dbraw/zinc/75/72/98/952757298.db2.gz	RLRXJMPCIRAGKZ-UHFFFAOYSA-N	-1	1	359.294	1.769	20	10		FDCDMM
CC[S@@](C)(=O)=NS(=O)(=O)[N-]Cc1cccc(Br)c1O	ZINC000867195322	971889614	/nfs/dbraw/zinc/88/96/14/971889614.db2.gz	QQPBJTDMYHDVQO-GOSISDBHSA-N	-1	1	371.278	1.607	20	10		FDCDMM
O=C(CNC(=O)c1c(F)ccc(O)c1[O-])Nc1ccc(-n2cncn2)cc1	ZINC001182560642	962304539	/nfs/dbraw/zinc/30/45/39/962304539.db2.gz	VEZKNZRJWIUZLB-UHFFFAOYSA-N	-1	1	371.328	1.186	20	10		FDCDMM
CON(CCC(=O)NCC(=O)c1ccc([O-])c(O)c1)C(=O)OC(C)(C)C	ZINC001182626634	962337321	/nfs/dbraw/zinc/33/73/21/962337321.db2.gz	BJERHVIHMJCISX-UHFFFAOYSA-N	-1	1	368.386	1.585	20	10		FDCDMM
CC(=O)O[C@@H](Cc1ccccc1)C(=O)NCC(=O)c1ccc([O-])c(O)c1	ZINC001186342390	964465871	/nfs/dbraw/zinc/46/58/71/964465871.db2.gz	HUMDENCBXMOPFJ-SFHVURJKSA-N	-1	1	357.362	1.571	20	10		FDCDMM
O=C(CNS(=O)(=O)Cc1ccc(F)cc1F)c1ccc([O-])c(O)c1	ZINC001189845520	967347844	/nfs/dbraw/zinc/34/78/44/967347844.db2.gz	MYOSQJXQVJUZBB-UHFFFAOYSA-N	-1	1	357.334	1.678	20	10		FDCDMM
CC(C)[C@H](NC(=O)c1ccc(O)c([O-])c1Cl)C(=O)N1CCOCC1	ZINC001193237101	969565500	/nfs/dbraw/zinc/56/55/00/969565500.db2.gz	WAEGNCUIEZBBAO-ZDUSSCGKSA-N	-1	1	356.806	1.364	20	10		FDCDMM
COc1cccc(CNC(=O)CNC(=O)c2ccc(O)c([O-])c2Cl)c1	ZINC001193246956	969574191	/nfs/dbraw/zinc/57/41/91/969574191.db2.gz	FKYRGSXMOUTYBR-UHFFFAOYSA-N	-1	1	364.785	1.806	20	10		FDCDMM
CS(=O)(=O)N(C(=O)c1ccc(O)c([O-])c1Cl)c1cccc(N)c1	ZINC001193230234	969597449	/nfs/dbraw/zinc/59/74/49/969597449.db2.gz	RROUOLXMWQSMDC-UHFFFAOYSA-N	-1	1	356.787	1.940	20	10		FDCDMM
Cc1cc(C(=O)NCC(=O)c2ccc([O-])c(O)c2)nn1CC(F)(F)F	ZINC001194314682	970098858	/nfs/dbraw/zinc/09/88/58/970098858.db2.gz	BOQSNLZTLJDIDP-UHFFFAOYSA-N	-1	1	357.288	1.778	20	10		FDCDMM
CS(C)(=O)=NS(=O)(=O)[N-]Cc1cc(Br)ccc1O	ZINC000867265335	973065850	/nfs/dbraw/zinc/06/58/50/973065850.db2.gz	GHQSIHCSPXXYKC-UHFFFAOYSA-N	-1	1	357.251	1.217	20	10		FDCDMM
COc1cc(S(=O)(=O)NCC(=O)c2ccc([O-])c(O)c2)ccc1F	ZINC001200604047	974857988	/nfs/dbraw/zinc/85/79/88/974857988.db2.gz	ZJODYTHQGKISSJ-UHFFFAOYSA-N	-1	1	355.343	1.407	20	10		FDCDMM
COc1c([O-])c(CN2CCC[C@H]2c2nc(C(N)=O)no2)ccc1[N+](=O)[O-]	ZINC000365807772	988102780	/nfs/dbraw/zinc/10/27/80/988102780.db2.gz	WXAYWBOLPYNNIH-JTQLQIEISA-N	-1	1	363.330	1.128	20	10		FDCDMM
CN1CCN(c2ccc(CNC(=O)N[C@@H]3CCC[C@H]3CC(=O)[O-])cc2)CC1	ZINC001598624365	994061593	/nfs/dbraw/zinc/06/15/93/994061593.db2.gz	MZYUQRQLBJVQLJ-FUHWJXTLSA-N	-1	1	374.485	1.881	20	10		FDCDMM
O=C(NCC[C@@H]1CNC(=O)C1)NCc1cccc(Br)c1[O-]	ZINC000926985072	996392265	/nfs/dbraw/zinc/39/22/65/996392265.db2.gz	ITWOZOLYQTUPFI-VIFPVBQESA-N	-1	1	356.220	1.480	20	10		FDCDMM
NC(=O)c1ccc([N-]S(=O)(=O)c2cccc3nsnc32)c(F)c1	ZINC000080781951	523904766	/nfs/dbraw/zinc/90/47/66/523904766.db2.gz	RJRJRXAJVOJNFW-UHFFFAOYSA-N	-1	1	352.372	1.730	20	10		FDCDMM
O=C(NCc1cccc(Br)c1[O-])NC[C@H]1CC[C@@H](CO)O1	ZINC000294363287	537688266	/nfs/dbraw/zinc/68/82/66/537688266.db2.gz	VNQJTYUITGCLKR-MNOVXSKESA-N	-1	1	359.220	1.494	20	10		FDCDMM
O=C([O-])/C=C/c1ccc(N2CC[C@@H](CN3CCOCC3)C2)c([N+](=O)[O-])c1	ZINC000833195512	600819562	/nfs/dbraw/zinc/81/95/62/600819562.db2.gz	GHYUELMUXCLSRD-OMDKTOEGSA-N	-1	1	361.398	1.851	20	10		FDCDMM
COc1ccc(N2CCN(CCCNC(=O)[C@@H](C)CC(=O)[O-])CC2)cc1	ZINC000832384266	602078126	/nfs/dbraw/zinc/07/81/26/602078126.db2.gz	WWNZHFKXAHJPCA-HNNXBMFYSA-N	-1	1	363.458	1.434	20	10		FDCDMM
CCN1CCN(c2ccc(CNC(=O)CN(C)C(=O)[O-])cc2F)CC1	ZINC000737123502	602459242	/nfs/dbraw/zinc/45/92/42/602459242.db2.gz	VLVAUGXHBGDFEA-UHFFFAOYSA-N	-1	1	352.410	1.194	20	10		FDCDMM
Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCCSc2nccs2)n1	ZINC000822614740	606956363	/nfs/dbraw/zinc/95/63/63/606956363.db2.gz	QQCXJURRSWOGBX-UHFFFAOYSA-N	-1	1	365.448	1.361	20	10		FDCDMM
Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCCSc2nccs2)n1	ZINC000822614740	606956366	/nfs/dbraw/zinc/95/63/66/606956366.db2.gz	QQCXJURRSWOGBX-UHFFFAOYSA-N	-1	1	365.448	1.361	20	10		FDCDMM
O=C(NCC(F)(F)F)[C@H]1CCN(C(=O)c2c(F)ccc(O)c2[O-])C1	ZINC000295654291	676408675	/nfs/dbraw/zinc/40/86/75/676408675.db2.gz	DHNRDUPWKXFMKQ-ZETCQYMHSA-N	-1	1	350.268	1.378	20	10		FDCDMM
COC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccc3c(c2)CCN3C)o1	ZINC000364443906	677018735	/nfs/dbraw/zinc/01/87/35/677018735.db2.gz	LEUBEFCNSGUADS-UHFFFAOYSA-N	-1	1	350.396	1.537	20	10		FDCDMM
COc1ccc(C[N-]S(=O)(=O)N=[S@](C)(=O)C(C)(C)C)c(O)c1	ZINC001211647905	789547083	/nfs/dbraw/zinc/54/70/83/789547083.db2.gz	CBECXVHBODBVIB-OAQYLSRUSA-N	-1	1	350.462	1.632	20	10		FDCDMM
COc1cc(-c2noc(-c3cc(NS(C)(=O)=O)ccc3[O-])n2)ncn1	ZINC000904784914	851390795	/nfs/dbraw/zinc/39/07/95/851390795.db2.gz	UJFHLDPRJIYJIZ-UHFFFAOYSA-N	-1	1	363.355	1.279	20	10		FDCDMM
O=C([O-])C1(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CC1	ZINC000911369327	858562483	/nfs/dbraw/zinc/56/24/83/858562483.db2.gz	REQZCINGVZJQSD-CYBMUJFWSA-N	-1	1	352.818	1.991	20	10		FDCDMM
Cn1ncc([N+](=O)[O-])c1C(=O)NCc1cccc(Br)c1[O-]	ZINC000765748569	908692687	/nfs/dbraw/zinc/69/26/87/908692687.db2.gz	WSYJIKREDPCHCX-UHFFFAOYSA-N	-1	1	355.148	1.726	20	10		FDCDMM
CC[C@@H](CS(=O)(=O)NCc1cccc(Br)c1[O-])OC	ZINC000817139608	942575128	/nfs/dbraw/zinc/57/51/28/942575128.db2.gz	ZPOQTKPFYKDKEO-JTQLQIEISA-N	-1	1	352.250	1.999	20	10		FDCDMM
COc1ccc(N2CCCN(C(=O)c3[nH]c(=O)[n-]c(=O)c3OC)CC2)cc1	ZINC001136336370	944030763	/nfs/dbraw/zinc/03/07/63/944030763.db2.gz	NNIVZMXHRRMGLM-UHFFFAOYSA-N	-1	1	374.397	1.258	20	10		FDCDMM
O=C(C[C@@H]1CCCS1(=O)=O)NCc1cccc(Br)c1[O-]	ZINC000822458815	945010499	/nfs/dbraw/zinc/01/04/99/945010499.db2.gz	LOFIJOLVDXPWRZ-JTQLQIEISA-N	-1	1	362.245	1.738	20	10		FDCDMM
O=C([O-])[C@@H]1CC(=O)N(C2CC[NH+](Cc3c([O-])cccc3Cl)CC2)C1	ZINC000844935611	948516439	/nfs/dbraw/zinc/51/64/39/948516439.db2.gz	QUKOJQWFJVWVNF-LLVKDONJSA-N	-1	1	352.818	1.943	20	10		FDCDMM
CC(C)(C)OCC(=O)NC(C)(C)C(=O)OCC(=O)c1ccc([O-])c(O)c1	ZINC000845379312	949131763	/nfs/dbraw/zinc/13/17/63/949131763.db2.gz	UZBOXGUZEHKVQV-UHFFFAOYSA-N	-1	1	367.398	1.534	20	10		FDCDMM
CCO[N-]C(=O)CNC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2	ZINC000846491434	951181749	/nfs/dbraw/zinc/18/17/49/951181749.db2.gz	QDHMURFDROVBON-UHFFFAOYSA-N	-1	1	372.469	1.592	20	10		FDCDMM
Cc1cc(N(C)C)ccc1CNC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C	ZINC000115280525	971794128	/nfs/dbraw/zinc/79/41/28/971794128.db2.gz	XPUJRUAUAVNIOT-UHFFFAOYSA-N	-1	1	367.453	1.873	20	10		FDCDMM
Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)N[C@@H]3C[C@H](O)C3(C)C)cc12	ZINC001184359821	963542024	/nfs/dbraw/zinc/54/20/24/963542024.db2.gz	LURKEFKTLTZXMN-SJORKVTESA-N	-1	1	374.437	1.514	20	10		FDCDMM
O=C(CCc1nc(-c2ccccn2)no1)NCC(=O)c1ccc([O-])c(O)c1	ZINC001177193743	963719876	/nfs/dbraw/zinc/71/98/76/963719876.db2.gz	LEJJVAFRZYUWNC-UHFFFAOYSA-N	-1	1	368.349	1.475	20	10		FDCDMM
CCN(CC)C(=O)N1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CC1	ZINC000774834082	963822506	/nfs/dbraw/zinc/82/25/06/963822506.db2.gz	AFOOHRABLVGOIG-UHFFFAOYSA-N	-1	1	366.418	1.888	20	10		FDCDMM
O=C(CN1C[C@@H](c2ccccc2)CC1=O)NCC(=O)c1ccc([O-])c(O)c1	ZINC001180314138	965213307	/nfs/dbraw/zinc/21/33/07/965213307.db2.gz	VVWDAINYUAXBMA-HNNXBMFYSA-N	-1	1	368.389	1.413	20	10		FDCDMM
O=C(CNS(=O)(=O)Cc1cccc(F)c1F)c1ccc([O-])c(O)c1	ZINC001189481239	967026865	/nfs/dbraw/zinc/02/68/65/967026865.db2.gz	AVNKBPOEXVDGJZ-UHFFFAOYSA-N	-1	1	357.334	1.678	20	10		FDCDMM
O=C(CNC(=O)c1ccc(Br)c(=O)[nH]1)c1ccc([O-])c(O)c1	ZINC001193161613	969520960	/nfs/dbraw/zinc/52/09/60/969520960.db2.gz	BHMGAGRJWYYDJC-UHFFFAOYSA-N	-1	1	367.155	1.574	20	10		FDCDMM
O=C(CN1CCN(C(=O)c2ccc(O)c([O-])c2Cl)CC1)N1CCCC1	ZINC001193224832	969549255	/nfs/dbraw/zinc/54/92/55/969549255.db2.gz	BYLLHRPUTYNLMA-UHFFFAOYSA-N	-1	1	367.833	1.131	20	10		FDCDMM
CCS(=O)(=O)NC1CCN(C(=O)c2ccc(O)c([O-])c2Cl)CC1	ZINC001193233184	969563674	/nfs/dbraw/zinc/56/36/74/969563674.db2.gz	VZTBLYQOXUXEGS-UHFFFAOYSA-N	-1	1	362.835	1.295	20	10		FDCDMM
O=C(CNC(=O)c1cc(Cl)ccc1-n1cnnn1)c1ccc([O-])c(O)c1	ZINC001194780155	970388894	/nfs/dbraw/zinc/38/88/94/970388894.db2.gz	HDSGPJQMDMVFSC-UHFFFAOYSA-N	-1	1	373.756	1.340	20	10		FDCDMM
C[C@@H]1CN(c2ccc(CNC(=O)CCc3nn[n-]n3)cc2F)C[C@H](C)O1	ZINC000864931911	973955341	/nfs/dbraw/zinc/95/53/41/973955341.db2.gz	PRZBCKMKRUFTAE-TXEJJXNPSA-N	-1	1	362.409	1.201	20	10		FDCDMM
O=C(CNC(=O)c1ccncc1OC1CCOCC1)c1ccc([O-])c(O)c1	ZINC001199622226	974440274	/nfs/dbraw/zinc/44/02/74/974440274.db2.gz	PGFREEBEWIYFBP-UHFFFAOYSA-N	-1	1	372.377	1.663	20	10		FDCDMM
Cc1cc(S(=O)(=O)[N-]Cc2ccc(N3CCOCC3)c(F)c2)sn1	ZINC000866543033	975769181	/nfs/dbraw/zinc/76/91/81/975769181.db2.gz	QIQZPVSRCCKEIN-UHFFFAOYSA-N	-1	1	371.459	1.906	20	10		FDCDMM
COc1ccc(N2CC[C@@H]([N-]S(=O)(=O)c3ccc(F)nc3F)C2)cc1	ZINC000867496824	976255046	/nfs/dbraw/zinc/25/50/46/976255046.db2.gz	IAZJIHCNXIFUHP-LLVKDONJSA-N	-1	1	369.393	1.926	20	10		FDCDMM
COC(=O)c1cc(S(=O)(=O)Nc2ccc(O)cc2C(=O)[O-])c(C)o1	ZINC000776433554	978748258	/nfs/dbraw/zinc/74/82/58/978748258.db2.gz	VPNHPWAMVMQBHN-UHFFFAOYSA-N	-1	1	355.324	1.579	20	10		FDCDMM
Cc1onc(CC(=O)NCc2ccc(N3CCCC3)cc2)c1-c1nnn[n-]1	ZINC000826348047	982445026	/nfs/dbraw/zinc/44/50/26/982445026.db2.gz	RCXSVMYHTHECKZ-UHFFFAOYSA-N	-1	1	367.413	1.622	20	10		FDCDMM
Cc1onc(CC(=O)NCc2ccc(N3CCCC3)cc2)c1-c1nn[n-]n1	ZINC000826348047	982445030	/nfs/dbraw/zinc/44/50/30/982445030.db2.gz	RCXSVMYHTHECKZ-UHFFFAOYSA-N	-1	1	367.413	1.622	20	10		FDCDMM
COc1c([O-])c(C[N@H+]2CCCN(c3ncccn3)CC2)ccc1[N+](=O)[O-]	ZINC000365798419	988091854	/nfs/dbraw/zinc/09/18/54/988091854.db2.gz	UQBRESVHQFRONW-UHFFFAOYSA-N	-1	1	359.386	1.811	20	10		FDCDMM
CC(C)(C)OC(=O)N1CCO[C@H](CNC(=O)c2c(F)ccc(O)c2[O-])C1	ZINC000298379647	990080035	/nfs/dbraw/zinc/08/00/35/990080035.db2.gz	MMDNUVPFUWDBPF-SNVBAGLBSA-N	-1	1	370.377	1.603	20	10		FDCDMM
CN(C)c1ccc(CNC(=O)CN(CCC(=O)[O-])C[C@@H]2CCCO2)cc1	ZINC001598318317	991313733	/nfs/dbraw/zinc/31/37/33/991313733.db2.gz	WUFZUXUIEMBSHC-KRWDZBQOSA-N	-1	1	363.458	1.325	20	10		FDCDMM
CC(=O)c1cc(Cl)cc(CN2CCC[C@@H]3OCCNC(=O)[C@H]32)c1[O-]	ZINC000879719941	995219309	/nfs/dbraw/zinc/21/93/09/995219309.db2.gz	QFGSTGZBNIQZLO-GJZGRUSLSA-N	-1	1	352.818	1.728	20	10		FDCDMM
CCCN(Cc1ccccc1O)C(=O)C(=O)/N=c1/ccnc2n(C)[n-]cc1-2	ZINC000287555884	999958469	/nfs/dbraw/zinc/95/84/69/999958469.db2.gz	BCJJTFMXHTZELD-JCMHNJIXSA-N	-1	1	367.409	1.425	20	10		FDCDMM
COCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)c1	ZINC000795338487	1006210969	/nfs/dbraw/zinc/21/09/69/1006210969.db2.gz	BRIVCEWDYZRGIN-UHFFFAOYSA-N	-1	1	364.423	1.878	20	10		FDCDMM
COc1ccc(N2CCN(CCNC(=O)c3ncc(C)cc3[O-])CC2)cc1	ZINC000778611453	1006550948	/nfs/dbraw/zinc/55/09/48/1006550948.db2.gz	KFOVXVCWPYKVCF-UHFFFAOYSA-N	-1	1	370.453	1.656	20	10		FDCDMM
CN(C)C(=O)CCN1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1	ZINC000271184704	674319559	/nfs/dbraw/zinc/31/95/59/674319559.db2.gz	LZJXWNSYIAHFHQ-UHFFFAOYSA-N	-1	1	370.837	1.550	20	10		FDCDMM
CC(=O)Nc1cccc(NC=C2C(=O)[N-]C(=S)N(CC(C)C)C2=O)c1	ZINC000060861251	522420146	/nfs/dbraw/zinc/42/01/46/522420146.db2.gz	MQOZWXAMXKMSLU-ZSOIEALJSA-N	-1	1	360.439	1.840	20	10		FDCDMM
COCCN1C(=O)C(=CNc2ccc(OC)c(Cl)c2)C(=O)[N-]C1=S	ZINC000060862378	522421700	/nfs/dbraw/zinc/42/17/00/522421700.db2.gz	DDRQZDBPNVTNJR-NTMALXAHSA-N	-1	1	369.830	1.534	20	10		FDCDMM
CC(=O)N1CCN(c2ccc(CNC(=O)c3cncc([O-])c3)cc2)CC1	ZINC000276178262	537318591	/nfs/dbraw/zinc/31/85/91/537318591.db2.gz	AEMBGGMQNOOFOJ-UHFFFAOYSA-N	-1	1	354.410	1.386	20	10		FDCDMM
CCC[C@H](NC=C1C(=O)[N-]C(=S)N(CCOC)C1=O)c1ccccc1	ZINC000299269987	537526722	/nfs/dbraw/zinc/52/67/22/537526722.db2.gz	SBYFHKBDZOIRQI-ZSMUJPCHSA-N	-1	1	361.467	1.891	20	10		FDCDMM
C[C@@H](NC(=O)[O-])C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	ZINC000825177535	605520572	/nfs/dbraw/zinc/52/05/72/605520572.db2.gz	LRODQNUBDNXYAU-MFKMUULPSA-N	-1	1	355.822	1.782	20	10		FDCDMM
O=S(=O)(C[C@@H]1CCCO1)NCc1cccc(Br)c1[O-]	ZINC000277445532	674944562	/nfs/dbraw/zinc/94/45/62/674944562.db2.gz	FPWHPNIOMXJYHT-JTQLQIEISA-N	-1	1	350.234	1.753	20	10		FDCDMM
O=C(NCc1cccc(Br)c1[O-])N[C@H]1CCS(=O)(=O)C1	ZINC000277727535	675020344	/nfs/dbraw/zinc/02/03/44/675020344.db2.gz	KULCFPPYIVHZHJ-VIFPVBQESA-N	-1	1	363.233	1.141	20	10		FDCDMM
CN(C)c1ccc(C(F)(F)F)cc1NC=C1C(=O)[N-]C(=S)NC1=O	ZINC000060865086	671290363	/nfs/dbraw/zinc/29/03/63/671290363.db2.gz	QMWQJYFPVWIREA-UHFFFAOYSA-N	-1	1	358.345	1.598	20	10		FDCDMM
CC(=O)c1cc(Cl)cc(CN2CCN(CC(=O)NC(C)C)CC2)c1[O-]	ZINC000176987922	672119891	/nfs/dbraw/zinc/11/98/91/672119891.db2.gz	CCNAPWJAWNBSDA-UHFFFAOYSA-N	-1	1	367.877	1.890	20	10		FDCDMM
COC(=O)[C@H]1C[C@H](OC)CCN1Cc1ccc([N+](=O)[O-])c(OC)c1[O-]	ZINC000370517656	677587093	/nfs/dbraw/zinc/58/70/93/677587093.db2.gz	HIQCJNBNOIFLRN-DGCLKSJQSA-N	-1	1	354.359	1.461	20	10		FDCDMM
COc1c([O-])c(CN2CCOC[C@@H]2[C@@H]2CCCC2=O)ccc1[N+](=O)[O-]	ZINC000377387901	678532965	/nfs/dbraw/zinc/53/29/65/678532965.db2.gz	WTZINERYIUTJNV-GXTWGEPZSA-N	-1	1	350.371	1.879	20	10		FDCDMM
C[C@]12CCC(=O)N1[C@H](C(=O)OCC(=O)c1ccc([O-])c(O)c1)CS2	ZINC000916599448	881805170	/nfs/dbraw/zinc/80/51/70/881805170.db2.gz	PYIBVFZSIGKORU-QFYYESIMSA-N	-1	1	351.380	1.278	20	10		FDCDMM
COCCN1C(=O)C(=CNc2ccccc2C(F)(F)F)C(=O)[N-]C1=S	ZINC000920974875	887358554	/nfs/dbraw/zinc/35/85/54/887358554.db2.gz	WJIACIDSLODFFF-CMDGGOBGSA-N	-1	1	373.356	1.891	20	10		FDCDMM
COCCN1C(=O)C(=CNc2cccc3cnccc32)C(=O)[N-]C1=S	ZINC000920976190	887361118	/nfs/dbraw/zinc/36/11/18/887361118.db2.gz	JIOCPHLCKZCRNR-JLHYYAGUSA-N	-1	1	356.407	1.420	20	10		FDCDMM
COCCN1C(=O)C(=CNc2ccnn2C2CCCC2)C(=O)[N-]C1=S	ZINC000920980328	887364396	/nfs/dbraw/zinc/36/43/96/887364396.db2.gz	IXDUODSRDMXDER-ZRDIBKRKSA-N	-1	1	363.443	1.184	20	10		FDCDMM
O=C(CCCN1C(=O)CCC1=O)NCc1cccc(Br)c1[O-]	ZINC000765726019	908321643	/nfs/dbraw/zinc/32/16/43/908321643.db2.gz	CFQKAKISPDBKIF-UHFFFAOYSA-N	-1	1	369.215	1.700	20	10		FDCDMM
COc1ccc(O)c(CNC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)c1	ZINC000114543962	971324274	/nfs/dbraw/zinc/32/42/74/971324274.db2.gz	GKUXVDJMRZIATQ-UHFFFAOYSA-N	-1	1	356.382	1.213	20	10		FDCDMM
CCc1noc(C[C@@]2(O)CCCN(C(=O)c3c(F)ccc(O)c3[O-])C2)n1	ZINC000856714894	971342448	/nfs/dbraw/zinc/34/24/48/971342448.db2.gz	AVNBCMYPKSNRER-KRWDZBQOSA-N	-1	1	365.361	1.392	20	10		FDCDMM
CN(C)c1ccc(CN2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)cc1F	ZINC000844933850	948514643	/nfs/dbraw/zinc/51/46/43/948514643.db2.gz	INHDFTSIPYAPJG-CQSZACIVSA-N	-1	1	363.433	1.789	20	10		FDCDMM
CCN1CCN(c2ccc(CNC(=O)N3CC(C(=O)[O-])C3)cc2F)CC1	ZINC000857097144	971576070	/nfs/dbraw/zinc/57/60/70/971576070.db2.gz	MDJIUBZLCYOOMG-UHFFFAOYSA-N	-1	1	364.421	1.194	20	10		FDCDMM
O=C(Nc1cccc2c(=O)cc(-c3nn[n-]n3)oc12)c1cccc(O)c1O	ZINC001148219185	952652640	/nfs/dbraw/zinc/65/26/40/952652640.db2.gz	WIFBCBDJGKNJBJ-UHFFFAOYSA-N	-1	1	365.305	1.637	20	10		FDCDMM
C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)co1	ZINC000772999817	953300383	/nfs/dbraw/zinc/30/03/83/953300383.db2.gz	MRQGLARRWZSLEO-NSHDSACASA-N	-1	1	351.428	1.745	20	10		FDCDMM
COc1cc(F)c(CC(=O)NCC(=O)c2ccc([O-])c(O)c2)c(F)c1	ZINC001181127347	960596984	/nfs/dbraw/zinc/59/69/84/960596984.db2.gz	PDZBYINCEKENOE-UHFFFAOYSA-N	-1	1	351.305	1.926	20	10		FDCDMM
COC(=O)C1CC2(C1)C[N@@H+](Cc1ccc(F)c(F)c1[O-])C[C@@H]2C(=O)[O-]	ZINC001574049059	962150143	/nfs/dbraw/zinc/15/01/43/962150143.db2.gz	UGYBKUMDVKLYPM-VVHFOWEKSA-N	-1	1	355.337	1.756	20	10		FDCDMM
Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)NC[C@H]3CCOC3)cc12	ZINC001184362718	963543216	/nfs/dbraw/zinc/54/32/16/963543216.db2.gz	TXFMRPBXQCFODF-CYBMUJFWSA-N	-1	1	360.410	1.392	20	10		FDCDMM
Cc1nonc1CNC(=O)CN(C)Cc1cc2c(C)cc(=O)oc2cc1[O-]	ZINC001184361906	963543898	/nfs/dbraw/zinc/54/38/98/963543898.db2.gz	LQZZZASXIDAJDK-UHFFFAOYSA-N	-1	1	372.381	1.247	20	10		FDCDMM
Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)NCc3cn[nH]c3)cc12	ZINC001184362982	963544188	/nfs/dbraw/zinc/54/41/88/963544188.db2.gz	ZONNCYOIFWDKLL-UHFFFAOYSA-N	-1	1	356.382	1.278	20	10		FDCDMM
O=C(CNC(=O)[C@H]1CN(Cc2ccccc2)CCO1)c1ccc([O-])c(O)c1	ZINC001178996005	964609467	/nfs/dbraw/zinc/60/94/67/964609467.db2.gz	BZHPGGDICYJBLX-LJQANCHMSA-N	-1	1	370.405	1.298	20	10		FDCDMM
CS(=O)(=O)c1cccc(CC(=O)NCC(=O)c2ccc([O-])c(O)c2)c1	ZINC001180008101	965072870	/nfs/dbraw/zinc/07/28/70/965072870.db2.gz	VBZDZEIBCVQBKJ-UHFFFAOYSA-N	-1	1	363.391	1.043	20	10		FDCDMM
CCOC(=O)[C@H](NCc1ccc([N+](=O)[O-])c(OC)c1[O-])[C@H]1CCCOC1	ZINC000775099096	965075453	/nfs/dbraw/zinc/07/54/53/965075453.db2.gz	ANLHIPWUEQWMQV-GXTWGEPZSA-N	-1	1	368.386	1.757	20	10		FDCDMM
CCOC(=O)[C@@H](NCc1ccc([N+](=O)[O-])c(OC)c1[O-])[C@H]1CCCOC1	ZINC000775099097	965075907	/nfs/dbraw/zinc/07/59/07/965075907.db2.gz	ANLHIPWUEQWMQV-JSGCOSHPSA-N	-1	1	368.386	1.757	20	10		FDCDMM
O=S(=O)([N-]c1cc(F)c(O)c(F)c1)c1ccc(N2CCOCC2)nc1	ZINC001188525451	966358691	/nfs/dbraw/zinc/35/86/91/966358691.db2.gz	IUKUEHQADHWVOJ-UHFFFAOYSA-N	-1	1	371.365	1.703	20	10		FDCDMM
O=C(CNC(=O)c1nccn1Cc1ccccn1)c1ccc([O-])c(O)c1	ZINC001198287175	972952958	/nfs/dbraw/zinc/95/29/58/972952958.db2.gz	IXPKFXYPOGPPFQ-UHFFFAOYSA-N	-1	1	352.350	1.350	20	10		FDCDMM
Cc1nc(Cl)sc1S(=O)(=O)[N-]C[C@H](O)c1ccc(O)c(O)c1	ZINC001201728802	975132996	/nfs/dbraw/zinc/13/29/96/975132996.db2.gz	LLVRPUXBJYAXMH-JTQLQIEISA-N	-1	1	364.832	1.528	20	10		FDCDMM
CC[S@@](C)(=O)=NS(=O)(=O)[N-][C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000867496645	976254022	/nfs/dbraw/zinc/25/40/22/976254022.db2.gz	GJSYZNMPHMUSTQ-AMXDTQDGSA-N	-1	1	361.489	1.226	20	10		FDCDMM
CN(C)c1ccc(NS(=O)(=O)c2cccc3nonc32)c(C(=O)[O-])c1	ZINC000776531691	978969744	/nfs/dbraw/zinc/96/97/44/978969744.db2.gz	ONBNGZVRDZYQHX-UHFFFAOYSA-N	-1	1	362.367	1.788	20	10		FDCDMM
O=S(=O)(CCn1ccnc1)NCc1cccc(Br)c1[O-]	ZINC000882131929	980439991	/nfs/dbraw/zinc/43/99/91/980439991.db2.gz	ORXGBGQWOXWLBQ-UHFFFAOYSA-N	-1	1	360.233	1.471	20	10		FDCDMM
Cc1cc(N(C)C)ccc1CNC(=O)NCc1nc2c(c(=O)[n-]1)COCC2	ZINC000869213103	984947711	/nfs/dbraw/zinc/94/77/11/984947711.db2.gz	CXJRFSBXWWPYCR-UHFFFAOYSA-N	-1	1	371.441	1.629	20	10		FDCDMM
C[C@@H]1CN(C(=O)c2c(F)ccc(O)c2[O-])CCN1c1nccn2cnnc12	ZINC000295444573	988682733	/nfs/dbraw/zinc/68/27/33/988682733.db2.gz	NINSPDLKPDQRTE-SNVBAGLBSA-N	-1	1	372.360	1.026	20	10		FDCDMM
CN(C(=O)c1c(F)ccc(O)c1[O-])[C@H]1CCN(CC(F)(F)F)C1=O	ZINC000825818863	992063574	/nfs/dbraw/zinc/06/35/74/992063574.db2.gz	KXQWIEKQRRZXRX-QMMMGPOBSA-N	-1	1	350.268	1.472	20	10		FDCDMM
O=C(c1c(F)ccc(O)c1[O-])N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1	ZINC000825910595	992927346	/nfs/dbraw/zinc/92/73/46/992927346.db2.gz	XOIMQHGGVKKKGL-VIFPVBQESA-N	-1	1	362.317	1.867	20	10		FDCDMM
O=C(N[C@@H]1CC(=O)N(CCOc2ccccc2)C1)c1c(F)ccc(O)c1[O-]	ZINC000826069028	994186533	/nfs/dbraw/zinc/18/65/33/994186533.db2.gz	QQJAXAWVJRIYMO-GFCCVEGCSA-N	-1	1	374.368	1.647	20	10		FDCDMM
COC(=O)c1cc(O)ccc1NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1	ZINC000779457916	1009584231	/nfs/dbraw/zinc/58/42/31/1009584231.db2.gz	DHJMQKLGETYHJS-UHFFFAOYSA-N	-1	1	354.340	1.016	20	10		FDCDMM
CC(=O)c1cc(Cl)cc(CN2CC[C@H](S(=O)(=O)NC3CC3)C2)c1[O-]	ZINC000120497020	526087037	/nfs/dbraw/zinc/08/70/37/526087037.db2.gz	KEAGIJUSWXPTRW-AWEZNQCLSA-N	-1	1	372.874	1.904	20	10		FDCDMM
CN(C)c1ccc([C@H](CNC(=O)c2[nH]nc3c2CCC3)NC(=O)[O-])cc1	ZINC000828064365	603026409	/nfs/dbraw/zinc/02/64/09/603026409.db2.gz	QARQSQRBEJZQFJ-HNNXBMFYSA-N	-1	1	357.414	1.703	20	10		FDCDMM
O=C1Nc2cc(Cl)c([N+](=O)[O-])cc2C1=CC1=S=C(c2nn[n-]n2)C=C1	ZINC000823546854	606391541	/nfs/dbraw/zinc/39/15/41/606391541.db2.gz	GFLNEEPTUGBBBI-BAQGIRSFSA-N	-1	1	374.769	1.793	20	10		FDCDMM
Cc1nnc(-c2ccc(NC(=O)C3=S=C(c4nn[n-]n4)C=C3)cc2)o1	ZINC000822505779	606568553	/nfs/dbraw/zinc/56/85/53/606568553.db2.gz	WANXAEKFGHRWGQ-UHFFFAOYSA-N	-1	1	353.367	1.193	20	10		FDCDMM
O=C(NCc1cccc(Br)c1[O-])N[C@@H]1CCCCNC1=O	ZINC000277428485	674940722	/nfs/dbraw/zinc/94/07/22/674940722.db2.gz	LSZWIOZIIHYCPF-LLVKDONJSA-N	-1	1	356.220	1.623	20	10		FDCDMM
CC(=O)c1cc(Cl)cc(CN2CCO[C@H](C[N@H+](C)CC(=O)[O-])C2)c1O	ZINC000296966402	676422363	/nfs/dbraw/zinc/42/23/63/676422363.db2.gz	MZJCPGFYCRYPTB-CQSZACIVSA-N	-1	1	370.833	1.465	20	10		FDCDMM
CC(=O)c1cc(Cl)cc(CN2CCO[C@H](C[N@@H+](C)CC(=O)[O-])C2)c1[O-]	ZINC000296966402	676422364	/nfs/dbraw/zinc/42/23/64/676422364.db2.gz	MZJCPGFYCRYPTB-CQSZACIVSA-N	-1	1	370.833	1.465	20	10		FDCDMM
CC(=O)c1cc(Cl)cc(CN2CCO[C@H](C[N@H+](C)CC(=O)[O-])C2)c1[O-]	ZINC000296966402	676422366	/nfs/dbraw/zinc/42/23/66/676422366.db2.gz	MZJCPGFYCRYPTB-CQSZACIVSA-N	-1	1	370.833	1.465	20	10		FDCDMM
O=C(CSc1n[nH]c(=O)n1C[C@H]1CCCO1)c1ccc([O-])c(O)c1	ZINC000298100614	676433106	/nfs/dbraw/zinc/43/31/06/676433106.db2.gz	RBICHCYOSCWXSA-SNVBAGLBSA-N	-1	1	351.384	1.137	20	10		FDCDMM
O=C(NCc1cccc(Cl)c1[O-])[C@@H]1COCCN1CC(F)(F)F	ZINC000890759219	771603284	/nfs/dbraw/zinc/60/32/84/771603284.db2.gz	GWWJYURDDBMKNZ-NSHDSACASA-N	-1	1	352.740	1.925	20	10		FDCDMM
COC(=O)c1c[nH]nc1S(=O)(=O)[N-]Cc1ccc2c(c1)CCCN2C	ZINC000912538705	859876558	/nfs/dbraw/zinc/87/65/58/859876558.db2.gz	ULECGKHWBSQTNX-UHFFFAOYSA-N	-1	1	364.427	1.057	20	10		FDCDMM
CCc1noc2ncc(S(=O)(=O)Nc3ccc(O)c(C(=O)[O-])c3)cc12	ZINC000762446429	875927863	/nfs/dbraw/zinc/92/78/63/875927863.db2.gz	LAFQWSXBLLLVCF-UHFFFAOYSA-N	-1	1	363.351	1.990	20	10		FDCDMM
O=C(C[C@H]1CCS(=O)(=O)C1)NCc1cccc(Br)c1[O-]	ZINC000765727735	908332567	/nfs/dbraw/zinc/33/25/67/908332567.db2.gz	OOTPWYPOUSYLLS-SECBINFHSA-N	-1	1	362.245	1.596	20	10		FDCDMM
CN(C)c1cnc(C(=O)NCc2cccc(Br)c2[O-])cn1	ZINC000765766484	909212076	/nfs/dbraw/zinc/21/20/76/909212076.db2.gz	YDRDUYYTMMBQIJ-UHFFFAOYSA-N	-1	1	351.204	1.941	20	10		FDCDMM
CN(C)c1ccc(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])cc1F	ZINC000742285019	925997961	/nfs/dbraw/zinc/99/79/61/925997961.db2.gz	JSVOUWGTTIGAKC-UHFFFAOYSA-N	-1	1	354.363	1.673	20	10		FDCDMM
CN(C)S(=O)(=O)c1ccc(CNC(=O)c2c(F)ccc(O)c2[O-])cc1	ZINC000790069748	933330462	/nfs/dbraw/zinc/33/04/62/933330462.db2.gz	RBBRKCFKKDBLRA-UHFFFAOYSA-N	-1	1	368.386	1.417	20	10		FDCDMM
COCCN1C(=O)C(=CNc2cc(Cl)ccc2O)C(=O)[N-]C1=S	ZINC000814319374	941612213	/nfs/dbraw/zinc/61/22/13/941612213.db2.gz	ZXUMQCFGXFXGON-VQHVLOKHSA-N	-1	1	355.803	1.231	20	10		FDCDMM
CCN1CCN(c2ccc(CNC(=O)CCCC(=O)[O-])cc2F)CC1	ZINC000844243460	947910727	/nfs/dbraw/zinc/91/07/27/947910727.db2.gz	HXHQQTQBCMBHRH-UHFFFAOYSA-N	-1	1	351.422	1.839	20	10		FDCDMM
O=C([O-])[C@@H]1CC(=O)N(C2CC[NH+](Cc3cc(Cl)ccc3[O-])CC2)C1	ZINC000844935628	948516579	/nfs/dbraw/zinc/51/65/79/948516579.db2.gz	RGKYUJZOKHIKRK-GFCCVEGCSA-N	-1	1	352.818	1.943	20	10		FDCDMM
CCN1CCN(c2ccc(CNC(=O)[C@H]3CC[C@H]3C(=O)[O-])cc2F)CC1	ZINC001589744381	950651988	/nfs/dbraw/zinc/65/19/88/950651988.db2.gz	MHWXMJFUSCQCHJ-LSDHHAIUSA-N	-1	1	363.433	1.695	20	10		FDCDMM
CC(C)CCC(=O)NCCC1=CCN(c2nccnc2-c2nnn[n-]2)CC1	ZINC001574180920	950734776	/nfs/dbraw/zinc/73/47/76/950734776.db2.gz	ZXPXCPSJVOCGIP-UHFFFAOYSA-N	-1	1	370.461	1.736	20	10		FDCDMM
CC(C)CCC(=O)NCCC1=CCN(c2nccnc2-c2nn[n-]n2)CC1	ZINC001574180920	950734791	/nfs/dbraw/zinc/73/47/91/950734791.db2.gz	ZXPXCPSJVOCGIP-UHFFFAOYSA-N	-1	1	370.461	1.736	20	10		FDCDMM
COc1ccc2c(c1)OCC(C(=O)NCC(=O)c1ccc([O-])c(O)c1)=C2	ZINC001182670762	962382050	/nfs/dbraw/zinc/38/20/50/962382050.db2.gz	UXJRVQUTSWCVIC-UHFFFAOYSA-N	-1	1	355.346	1.881	20	10		FDCDMM
O=C([O-])COCC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	ZINC001354071271	962713430	/nfs/dbraw/zinc/71/34/30/962713430.db2.gz	DGICLOIKLGFYFJ-CYBMUJFWSA-N	-1	1	356.806	1.227	20	10		FDCDMM
Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)NC[C@@H]3CCOC3)cc12	ZINC001184362720	963543314	/nfs/dbraw/zinc/54/33/14/963543314.db2.gz	TXFMRPBXQCFODF-ZDUSSCGKSA-N	-1	1	360.410	1.392	20	10		FDCDMM
O=C(CNC(=O)c1cccc(N2CCOCC2)c1)c1ccc([O-])c(O)c1	ZINC001187417326	965314733	/nfs/dbraw/zinc/31/47/33/965314733.db2.gz	PFYXGWSBKFDMLI-UHFFFAOYSA-N	-1	1	356.378	1.547	20	10		FDCDMM
CCN1CCN(c2ccc(CNC(=O)C3(C(=O)[O-])CCC3)cc2F)CC1	ZINC000852944623	967723553	/nfs/dbraw/zinc/72/35/53/967723553.db2.gz	OZGCAAPUJLKIBV-UHFFFAOYSA-N	-1	1	363.433	1.839	20	10		FDCDMM
CCN1CCN(c2ccc(CNC(=O)[C@@](C)(OC)C(=O)[O-])cc2F)CC1	ZINC000852945300	967724397	/nfs/dbraw/zinc/72/43/97/967724397.db2.gz	XMUANAFGJUOKIF-GOSISDBHSA-N	-1	1	367.421	1.074	20	10		FDCDMM
CCOC(=O)[C@H]1c2[nH]cnc2CCN1C(=O)c1cc(O)c([O-])c(Cl)c1	ZINC001193611093	969764729	/nfs/dbraw/zinc/76/47/29/969764729.db2.gz	ASTWYYCUDYZSBL-CYBMUJFWSA-N	-1	1	365.773	1.777	20	10		FDCDMM
O=C(CNC(=S)NCc1ccc2c(c1)OCO2)c1ccc([O-])c(O)c1	ZINC001200739770	974894213	/nfs/dbraw/zinc/89/42/13/974894213.db2.gz	PLCARJHCVHWTTI-UHFFFAOYSA-N	-1	1	360.391	1.674	20	10		FDCDMM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2nncn2-c2ccccc2)c1	ZINC000776236474	975237463	/nfs/dbraw/zinc/23/74/63/975237463.db2.gz	KYBDMUAHWFLZLP-UHFFFAOYSA-N	-1	1	373.394	1.597	20	10		FDCDMM
CO[C@@H]1C[C@H]2CN(C(=O)c3c(F)ccc(O)c3[O-])Cc3cccnc3N2C1	ZINC000881270495	979795496	/nfs/dbraw/zinc/79/54/96/979795496.db2.gz	UQRIJBYRJAYYBJ-QWHCGFSZSA-N	-1	1	373.384	1.882	20	10		FDCDMM
C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)NCc1ccc(N(C)C)c(F)c1	ZINC001594519407	985952024	/nfs/dbraw/zinc/95/20/24/985952024.db2.gz	UDVSRKSTQAAEBC-CYBMUJFWSA-N	-1	1	366.437	1.582	20	10		FDCDMM
O=C(c1c(F)ccc(O)c1[O-])N1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1	ZINC000295200113	988631610	/nfs/dbraw/zinc/63/16/10/988631610.db2.gz	VBMNZDBJHNNZIP-WBVHZDCISA-N	-1	1	372.396	1.962	20	10		FDCDMM
CCn1nc2c(cc1=O)C[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1[O-])CC2	ZINC000364757261	989771915	/nfs/dbraw/zinc/77/19/15/989771915.db2.gz	GXJDWZNPZNZCBY-UHFFFAOYSA-N	-1	1	360.370	1.444	20	10		FDCDMM
CN1CCN(c2ccc(CNC(=O)c3cccc(C(=O)[O-])n3)cc2)CC1	ZINC001598624279	994060808	/nfs/dbraw/zinc/06/08/08/994060808.db2.gz	IDHYMTOXCFHYPP-UHFFFAOYSA-N	-1	1	354.410	1.462	20	10		FDCDMM
COC(=O)[C@H]1[C@@H](C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])C1(F)F	ZINC001598739413	995556035	/nfs/dbraw/zinc/55/60/35/995556035.db2.gz	BMMHTCVYPMIJEQ-ZWNOBZJWSA-N	-1	1	363.744	1.987	20	10		FDCDMM
COC(=O)[C@H]1[C@@H](C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])C1(F)F	ZINC001598739413	995556043	/nfs/dbraw/zinc/55/60/43/995556043.db2.gz	BMMHTCVYPMIJEQ-ZWNOBZJWSA-N	-1	1	363.744	1.987	20	10		FDCDMM
CC(C)(C)[C@@H](NC(N)=O)C(=O)NCc1cccc(Br)c1[O-]	ZINC000298926165	537374030	/nfs/dbraw/zinc/37/40/30/537374030.db2.gz	MNDPLQWYIHFJFM-NSHDSACASA-N	-1	1	358.236	1.854	20	10		FDCDMM
Fc1cc(CNc2cccc(-c3nnn[n-]3)n2)ccc1N1CCOCC1	ZINC000737643934	599415094	/nfs/dbraw/zinc/41/50/94/599415094.db2.gz	IENGIQIPWJZARO-UHFFFAOYSA-N	-1	1	355.377	1.850	20	10		FDCDMM
Fc1cc(CNc2cccc(-c3nn[n-]n3)n2)ccc1N1CCOCC1	ZINC000737643934	599415096	/nfs/dbraw/zinc/41/50/96/599415096.db2.gz	IENGIQIPWJZARO-UHFFFAOYSA-N	-1	1	355.377	1.850	20	10		FDCDMM
O=C(NCc1c(O)ccc2c1CCCC2)c1ccc(-c2nn[n-]n2)nc1	ZINC000823229014	599489196	/nfs/dbraw/zinc/48/91/96/599489196.db2.gz	AFPQOABLPKZBJY-UHFFFAOYSA-N	-1	1	350.382	1.776	20	10		FDCDMM
O=C(NCc1c(O)ccc2c1CCCC2)c1ccc(-c2nnn[n-]2)nc1	ZINC000823229014	599489193	/nfs/dbraw/zinc/48/91/93/599489193.db2.gz	AFPQOABLPKZBJY-UHFFFAOYSA-N	-1	1	350.382	1.776	20	10		FDCDMM
CN(C)c1ccc(CN(C)C(=O)CN2CC[C@@H](CN(C)C(=O)[O-])C2)cc1	ZINC000739661305	602536488	/nfs/dbraw/zinc/53/64/88/602536488.db2.gz	SPRFWLGBKPGCAV-INIZCTEOSA-N	-1	1	362.474	1.643	20	10		FDCDMM
CCN(C)C(=O)[C@H](C)NC(=O)NCc1cccc(Br)c1[O-]	ZINC000277498375	674955300	/nfs/dbraw/zinc/95/53/00/674955300.db2.gz	QZTPIARUHWVHAV-VIFPVBQESA-N	-1	1	358.236	1.821	20	10		FDCDMM
O=C(NCCCN1CCCC1=O)NCc1cccc(Br)c1[O-]	ZINC000277702962	675008260	/nfs/dbraw/zinc/00/82/60/675008260.db2.gz	IBIDFHUSYNKEFI-UHFFFAOYSA-N	-1	1	370.247	1.966	20	10		FDCDMM
COC(=O)[C@H](CC(F)(F)F)NCc1ccc([N+](=O)[O-])c(OC)c1[O-]	ZINC000278375665	675129103	/nfs/dbraw/zinc/12/91/03/675129103.db2.gz	LEPHCTAJLCLXMK-QMMMGPOBSA-N	-1	1	352.265	1.893	20	10		FDCDMM
COc1c([O-])c(CN2CCN(CC(F)(F)F)C(=O)C2)ccc1[N+](=O)[O-]	ZINC000289540369	676150489	/nfs/dbraw/zinc/15/04/89/676150489.db2.gz	IAGXXIBOKPQRMF-UHFFFAOYSA-N	-1	1	363.292	1.516	20	10		FDCDMM
NC(=O)CSCC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	ZINC000366400169	677440537	/nfs/dbraw/zinc/44/05/37/677440537.db2.gz	BRFPPTLLZFNHIS-CYBMUJFWSA-N	-1	1	371.890	1.345	20	10		FDCDMM
CCc1cc(N2CCC(NC(=O)c3c(F)ccc(O)c3[O-])CC2)ncn1	ZINC000276560352	778178460	/nfs/dbraw/zinc/17/84/60/778178460.db2.gz	LQCYLXZONOLHEK-UHFFFAOYSA-N	-1	1	360.389	1.988	20	10		FDCDMM
NC(=O)c1ccc(CNC(=O)NCc2cccc(Br)c2[O-])o1	ZINC000764792054	905697413	/nfs/dbraw/zinc/69/74/13/905697413.db2.gz	SMHFDQKFGGMCFQ-UHFFFAOYSA-N	-1	1	368.187	1.846	20	10		FDCDMM
NS(=O)(=O)c1cccnc1NCc1cccc(Br)c1[O-]	ZINC000764935266	906013965	/nfs/dbraw/zinc/01/39/65/906013965.db2.gz	QHSPOZHVBPTQHH-UHFFFAOYSA-N	-1	1	358.217	1.809	20	10		FDCDMM
CNC(=O)c1ccc(C(=O)NCc2cccc(Br)c2[O-])cn1	ZINC000765771256	909450079	/nfs/dbraw/zinc/45/00/79/909450079.db2.gz	XSEHEWAHABSNFJ-UHFFFAOYSA-N	-1	1	364.199	1.839	20	10		FDCDMM
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3cncc([O-])c3)cc2)C1	ZINC000732275472	919295884	/nfs/dbraw/zinc/29/58/84/919295884.db2.gz	XSGGAJJFUBPPML-CQSZACIVSA-N	-1	1	354.410	1.419	20	10		FDCDMM
CC(C)CN1C(=O)C(=CNNc2nccnc2C(C)C)C(=O)[N-]C1=S	ZINC000772179475	931101092	/nfs/dbraw/zinc/10/10/92/931101092.db2.gz	QDUDSIHQIYDJHT-XFFZJAGNSA-N	-1	1	362.459	1.300	20	10		FDCDMM
COc1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c(O)c1	ZINC000785692714	931548081	/nfs/dbraw/zinc/54/80/81/931548081.db2.gz	PJZJPRBOTOJHAU-UHFFFAOYSA-N	-1	1	352.368	1.730	20	10		FDCDMM
CN1C(=S)N=NC1[C@H]1CCCN(C(=O)c2c([O-])c(O)ccc2F)C1	ZINC000789976467	933279919	/nfs/dbraw/zinc/27/99/19/933279919.db2.gz	QMZDGUWSMJQCPY-QMMMGPOBSA-N	-1	1	352.391	1.674	20	10		FDCDMM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2cccc3[nH]c(=O)oc32)c1	ZINC000811596500	941144240	/nfs/dbraw/zinc/14/42/40/941144240.db2.gz	MOZQMNIETXJIDH-UHFFFAOYSA-N	-1	1	363.351	1.863	20	10		FDCDMM
O=C(COC(=O)c1ccoc1C1(O)CCOCC1)c1ccc([O-])c(O)c1	ZINC000815450415	941860175	/nfs/dbraw/zinc/86/01/75/941860175.db2.gz	AHLRNIBIFXHWGF-UHFFFAOYSA-N	-1	1	362.334	1.729	20	10		FDCDMM
CC(C)(O)CCN1CCN(C(=O)c2cc(=O)n(-c3ccccc3)[n-]2)CC1	ZINC001147883557	952570579	/nfs/dbraw/zinc/57/05/79/952570579.db2.gz	FZIXDLZADYEMSR-UHFFFAOYSA-N	-1	1	358.442	1.085	20	10		FDCDMM
COc1cc(C)c(S(=O)(=O)NCC(=O)c2ccc([O-])c(O)c2)c(C)c1	ZINC001196895153	971979318	/nfs/dbraw/zinc/97/93/18/971979318.db2.gz	GJJYTCDXDNRWSB-UHFFFAOYSA-N	-1	1	365.407	1.884	20	10		FDCDMM
CN(C)c1ccc(CNC(=O)CN[C@H](Cc2ccccc2)C(=O)[O-])cc1	ZINC001593708803	954167614	/nfs/dbraw/zinc/16/76/14/954167614.db2.gz	CAZFTZUZDPNGPX-GOSISDBHSA-N	-1	1	355.438	1.654	20	10		FDCDMM
CCn1cc(S(=O)(=O)[N-][C@H](C)c2ccc(N(C)C)cc2)c([N+](=O)[O-])n1	ZINC000773083947	955291342	/nfs/dbraw/zinc/29/13/42/955291342.db2.gz	MSMDYNCVKHVGRV-LLVKDONJSA-N	-1	1	367.431	1.917	20	10		FDCDMM
O=C(Nc1nncs1)C1CCN(C(=O)c2c(F)ccc(O)c2[O-])CC1	ZINC001182413679	961998067	/nfs/dbraw/zinc/99/80/67/961998067.db2.gz	OAQWMRNCPHWPIX-UHFFFAOYSA-N	-1	1	366.374	1.579	20	10		FDCDMM
O=C(CNC(=O)[C@@H](O)Cc1c[nH]c2ccccc12)c1ccc([O-])c(O)c1	ZINC001184303982	963526175	/nfs/dbraw/zinc/52/61/75/963526175.db2.gz	KBYLUJHWXNGEJB-KRWDZBQOSA-N	-1	1	354.362	1.482	20	10		FDCDMM
Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)N[C@H]3CCC[C@H]3CO)cc12	ZINC001184361567	963544217	/nfs/dbraw/zinc/54/42/17/963544217.db2.gz	XDMLICCQWKRUPU-BBRMVZONSA-N	-1	1	374.437	1.516	20	10		FDCDMM
O=C(CNC(=O)c1ccc(N2CCOCC2)s1)c1ccc([O-])c(O)c1	ZINC001187962431	965897817	/nfs/dbraw/zinc/89/78/17/965897817.db2.gz	HZIVCTKNYMJYDQ-UHFFFAOYSA-N	-1	1	362.407	1.609	20	10		FDCDMM
COC(=O)CCS(=O)(=O)[N-]c1ccc2c(c1)C(=O)c1ccccc1C2=O	ZINC001188343175	966222298	/nfs/dbraw/zinc/22/22/98/966222298.db2.gz	KQROPQFJHBWAJN-UHFFFAOYSA-N	-1	1	373.386	1.767	20	10		FDCDMM
Cc1cc([N-]S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)c(C)c(C)c1O	ZINC000775291528	967190393	/nfs/dbraw/zinc/19/03/93/967190393.db2.gz	LNILBGCOVFYEAF-UHFFFAOYSA-N	-1	1	370.452	1.766	20	10		FDCDMM
CCOC(=O)[C@@H]1CCN(C(=O)c2ccc(O)c([O-])c2Cl)CCC1=O	ZINC001193226018	969594618	/nfs/dbraw/zinc/59/46/18/969594618.db2.gz	WIFMXAAPXMWGJD-SECBINFHSA-N	-1	1	355.774	1.736	20	10		FDCDMM
Cc1ccc(S(C)(=O)=O)cc1C(=O)NCC(=O)c1ccc([O-])c(O)c1	ZINC001194285243	970109797	/nfs/dbraw/zinc/10/97/97/970109797.db2.gz	CFTSMRHFNGQUDA-UHFFFAOYSA-N	-1	1	363.391	1.422	20	10		FDCDMM
O=C(CNS(=O)(=O)c1cccc2nccnc21)c1ccc([O-])c(O)c1	ZINC001195000602	970602423	/nfs/dbraw/zinc/60/24/23/970602423.db2.gz	OKFXNEVTGVJERO-UHFFFAOYSA-N	-1	1	359.363	1.202	20	10		FDCDMM
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CCc2nn[n-]n2)cc1	ZINC000865061187	974049929	/nfs/dbraw/zinc/04/99/29/974049929.db2.gz	ZRUPBFNWLISPQV-INIZCTEOSA-N	-1	1	358.446	1.406	20	10		FDCDMM
CCOC(=O)c1cc(S(=O)(=O)Nc2ccc(O)cc2C(=O)[O-])cn1C	ZINC000776433033	977443568	/nfs/dbraw/zinc/44/35/68/977443568.db2.gz	JUJIBZZZWLEFGR-UHFFFAOYSA-N	-1	1	368.367	1.406	20	10		FDCDMM
O=C(COC(=O)[C@@H]1OCCO[C@@H]1c1ccccc1)c1ccc([O-])c(O)c1	ZINC000850094581	978151514	/nfs/dbraw/zinc/15/15/14/978151514.db2.gz	ZEAHTUQZJGEDQB-QZTJIDSGSA-N	-1	1	358.346	1.980	20	10		FDCDMM
COc1ccc([C@@]2(C(=O)OCC(=O)c3ccc([O-])c(O)c3)C[C@@H](O)C2)cc1	ZINC000850165590	978220209	/nfs/dbraw/zinc/22/02/09/978220209.db2.gz	KKFMAFFXOPONHM-OYOVHJISSA-N	-1	1	372.373	1.925	20	10		FDCDMM
CN(C)c1ccc(C[N@H+]2C[C@H](C(=O)[O-])C3(CC(C(=O)[O-])C3)C2)cc1F	ZINC001598317848	991307264	/nfs/dbraw/zinc/30/72/64/991307264.db2.gz	MLULPQMXVJGKNT-YNAXMUEKSA-N	-1	1	350.390	1.889	20	10		FDCDMM
COc1ccc(N(C)CC[N@@H+](C)[C@H]2CCCN(CCC(=O)[O-])C2=O)cc1	ZINC001599584196	993590625	/nfs/dbraw/zinc/59/06/25/993590625.db2.gz	NTSJXELPEQAUSU-KRWDZBQOSA-N	-1	1	363.458	1.529	20	10		FDCDMM
COc1ccc(N(C)CCN(C)[C@H]2CCCN(CCC(=O)[O-])C2=O)cc1	ZINC001599584196	993590633	/nfs/dbraw/zinc/59/06/33/993590633.db2.gz	NTSJXELPEQAUSU-KRWDZBQOSA-N	-1	1	363.458	1.529	20	10		FDCDMM
CC(C)CN1C(=O)C(=CNNc2nccnc2C2CCC2)C(=O)[N-]C1=S	ZINC000286498906	999944861	/nfs/dbraw/zinc/94/48/61/999944861.db2.gz	MSQRVFBHJQVSLU-WQLSENKSSA-N	-1	1	374.470	1.444	20	10		FDCDMM
C[N-]S(=O)(=O)c1ccc(C(=O)NCc2ccc3c(c2)CCCN3C)o1	ZINC000299428162	537575434	/nfs/dbraw/zinc/57/54/34/537575434.db2.gz	HJDIRYBSAXHZJN-UHFFFAOYSA-N	-1	1	363.439	1.500	20	10		FDCDMM
CCN1CCN(c2ccc(CNC(=O)NCCCC(=O)[O-])cc2F)CC1	ZINC000737123597	600012251	/nfs/dbraw/zinc/01/22/51/600012251.db2.gz	XVFGOQBMOJCJFL-UHFFFAOYSA-N	-1	1	366.437	1.632	20	10		FDCDMM
COCCc1noc(CN(C)Cc2ccc([N+](=O)[O-])c(OC)c2[O-])n1	ZINC000278299682	675118872	/nfs/dbraw/zinc/11/88/72/675118872.db2.gz	VRCKYUSQOMPSSE-UHFFFAOYSA-N	-1	1	352.347	1.513	20	10		FDCDMM
COc1ccc(OC)c(S(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)c1	ZINC000013464147	670622208	/nfs/dbraw/zinc/62/22/08/670622208.db2.gz	BSNDLZIOSLZHID-UHFFFAOYSA-N	-1	1	353.352	1.908	20	10		FDCDMM
COc1c([O-])c(CN2CCC(CS(C)(=O)=O)CC2)ccc1[N+](=O)[O-]	ZINC000292740765	676309276	/nfs/dbraw/zinc/30/92/76/676309276.db2.gz	HHTYFMQWDSNVHO-UHFFFAOYSA-N	-1	1	358.416	1.566	20	10		FDCDMM
Cc1ccc(C)n1-c1ccsc1C(=O)N1CCO[C@H](c2nn[n-]n2)C1	ZINC000370853400	677620642	/nfs/dbraw/zinc/62/06/42/677620642.db2.gz	SMUSXOOWYMFUBT-ZDUSSCGKSA-N	-1	1	358.427	1.882	20	10		FDCDMM
CCC1(Cn2cc(C(=O)NCc3cccc(Cl)c3[O-])nn2)COC1	ZINC000890760847	771611440	/nfs/dbraw/zinc/61/14/40/771611440.db2.gz	AWYPMRZIKVAMEN-UHFFFAOYSA-N	-1	1	350.806	1.994	20	10		FDCDMM
COC(=O)[C@H]1CCCN(CC(=O)NCc2cccc(Cl)c2[O-])C1=O	ZINC000890763010	771641633	/nfs/dbraw/zinc/64/16/33/771641633.db2.gz	MNWAJDZPZJNVJF-NSHDSACASA-N	-1	1	354.790	1.073	20	10		FDCDMM
COC(=O)[C@@H]1C[C@@H]1CNC(=O)NCc1cccc(Br)c1[O-]	ZINC000891229721	773969422	/nfs/dbraw/zinc/96/94/22/773969422.db2.gz	MZHGOGDGFDUWNQ-NXEZZACHSA-N	-1	1	357.204	1.763	20	10		FDCDMM
O=C(CCS(=O)(=O)C1CCCC1)OCC(=O)c1ccc([O-])c(O)c1	ZINC000783030488	792071382	/nfs/dbraw/zinc/07/13/82/792071382.db2.gz	XURHEYWDTHPDTQ-UHFFFAOYSA-N	-1	1	356.396	1.571	20	10		FDCDMM
Cc1ccc2c(=O)c(C(=O)OCC(=O)c3ccc([O-])c(O)c3)cn(C)c2n1	ZINC000783674435	830285720	/nfs/dbraw/zinc/28/57/20/830285720.db2.gz	UZHJGUHGAFCDKN-UHFFFAOYSA-N	-1	1	368.345	1.693	20	10		FDCDMM
O=C(Cn1cnc2ccccc2c1=O)OCC(=O)c1ccc([O-])c(O)c1	ZINC000916590711	881785841	/nfs/dbraw/zinc/78/58/41/881785841.db2.gz	HTIZJQDVBDUTCX-UHFFFAOYSA-N	-1	1	354.318	1.234	20	10		FDCDMM
CC(C)CN1C(=O)C(=CNc2ccc3[nH]c(=O)[nH]c3c2)C(=O)[N-]C1=S	ZINC000920976055	887360893	/nfs/dbraw/zinc/36/08/93/887360893.db2.gz	GZKAYPOBYRSZKW-UXBLZVDNSA-N	-1	1	359.411	1.464	20	10		FDCDMM
CCn1cc(NC(=O)C(=O)NCc2cccc(Br)c2[O-])cn1	ZINC000765904294	897284130	/nfs/dbraw/zinc/28/41/30/897284130.db2.gz	QHGXUDXVCSOZPE-UHFFFAOYSA-N	-1	1	367.203	1.626	20	10		FDCDMM
COCCn1c(C)c(C)c2cc(C(=O)OCc3nc(=O)n(C)[n-]3)ccc21	ZINC000765466250	907226784	/nfs/dbraw/zinc/22/67/84/907226784.db2.gz	MKDAVIPOMQENBN-UHFFFAOYSA-N	-1	1	358.398	1.683	20	10		FDCDMM
CC(=O)N1CSC[C@H]1C(=O)NCc1cccc(Br)c1[O-]	ZINC000765750856	908689181	/nfs/dbraw/zinc/68/91/81/908689181.db2.gz	MLJROMXWQIRKKE-NSHDSACASA-N	-1	1	359.245	1.692	20	10		FDCDMM
Cc1cnc(N)c(S(=O)(=O)NCc2cccc(Br)c2[O-])c1	ZINC000766199857	922512454	/nfs/dbraw/zinc/51/24/54/922512454.db2.gz	KAQLIBUUJOGFBK-UHFFFAOYSA-N	-1	1	372.244	1.919	20	10		FDCDMM
O=S(=O)(NCc1cccc(Br)c1[O-])c1cnc2n1CCC2	ZINC000766199908	922516954	/nfs/dbraw/zinc/51/69/54/922516954.db2.gz	LAGOJMNFFDKECA-UHFFFAOYSA-N	-1	1	372.244	1.776	20	10		FDCDMM
CC(C)CN1C(=O)C(=CNNc2nccnc2C(C)C)C(=O)[N-]C1=S	ZINC000772179477	931101125	/nfs/dbraw/zinc/10/11/25/931101125.db2.gz	QDUDSIHQIYDJHT-YRNVUSSQSA-N	-1	1	362.459	1.300	20	10		FDCDMM
O=C(COC(=O)c1cnn(-c2ccc(F)cc2)n1)c1ccc([O-])c(O)c1	ZINC000786139738	931792314	/nfs/dbraw/zinc/79/23/14/931792314.db2.gz	IFLINZVEHILNEI-UHFFFAOYSA-N	-1	1	357.297	1.857	20	10		FDCDMM
Cn1cc(NC(=O)c2c([O-])c(O)ccc2F)cc(Br)c1=O	ZINC000789991584	933290603	/nfs/dbraw/zinc/29/06/03/933290603.db2.gz	UUVYYIFVVJEFLN-UHFFFAOYSA-N	-1	1	357.135	1.950	20	10		FDCDMM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2C[C@@H](O)Cc3ccccc32)c1	ZINC000790158724	933394011	/nfs/dbraw/zinc/39/40/11/933394011.db2.gz	WJRSCHNNNSVFNE-ZDUSSCGKSA-N	-1	1	362.407	1.328	20	10		FDCDMM
O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)NN1CC(=O)[N-]C1=O	ZINC000807062755	940237531	/nfs/dbraw/zinc/23/75/31/940237531.db2.gz	CUJRDYWNZZAEQZ-UHFFFAOYSA-N	-1	1	366.337	1.624	20	10		FDCDMM
O=C(NCC[C@@]1(O)CCCOC1)NCc1cccc(Br)c1[O-]	ZINC000845719575	949847574	/nfs/dbraw/zinc/84/75/74/949847574.db2.gz	WVMGYJFNOJJRDY-HNNXBMFYSA-N	-1	1	373.247	1.886	20	10		FDCDMM
O=C(N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2)c1c(F)ccc(O)c1[O-]	ZINC000857328810	971719212	/nfs/dbraw/zinc/71/92/12/971719212.db2.gz	HCHCHWIPSPRPIE-ZIAGYGMSSA-N	-1	1	350.390	1.610	20	10		FDCDMM
COC(=O)C1CC2(C1)C[N@@H+](Cc1cc(F)cc(F)c1[O-])C[C@H]2C(=O)[O-]	ZINC001593824218	955073502	/nfs/dbraw/zinc/07/35/02/955073502.db2.gz	JPIPEOHAQXDPMX-FBWYHRDQSA-N	-1	1	355.337	1.756	20	10		FDCDMM
CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CC(C(=O)[O-])C2)C1	ZINC001603068091	972132082	/nfs/dbraw/zinc/13/20/82/972132082.db2.gz	DDKZSZNGLUSJSN-UHFFFAOYSA-N	-1	1	355.438	1.951	20	10		FDCDMM
CN1CCN(c2ccc(CNC(=O)N3CCC(C(=O)[O-])CC3)cc2)CC1	ZINC001119523755	957187238	/nfs/dbraw/zinc/18/72/38/957187238.db2.gz	YENMKLHAGPTXHW-UHFFFAOYSA-N	-1	1	360.458	1.445	20	10		FDCDMM
COc1c([O-])c(CN2CC[C@@H]3CS(=O)(=O)C[C@@H]3C2)ccc1[N+](=O)[O-]	ZINC001183672325	963215251	/nfs/dbraw/zinc/21/52/51/963215251.db2.gz	LAKVNVKQOLGSBU-NEPJUHHUSA-N	-1	1	356.400	1.176	20	10		FDCDMM
COc1c([O-])c(CN2CCS(=O)(=O)[C@H]3CCCC[C@H]32)ccc1[N+](=O)[O-]	ZINC000774888602	963970952	/nfs/dbraw/zinc/97/09/52/963970952.db2.gz	RKODBLLOWPCIEE-OCCSQVGLSA-N	-1	1	370.427	1.851	20	10		FDCDMM
COc1cccc2c1OC[C@@H](C(=O)NCC(=O)c1ccc([O-])c(O)c1)C2	ZINC001180401570	965279117	/nfs/dbraw/zinc/27/91/17/965279117.db2.gz	RBTNSBCNFVHCLY-ZDUSSCGKSA-N	-1	1	357.362	1.657	20	10		FDCDMM
Cn1c(=O)[nH]c(=O)c2cc(C(=O)NCc3cccc(Cl)c3[O-])cnc21	ZINC001180409593	965314593	/nfs/dbraw/zinc/31/45/93/965314593.db2.gz	DOVWFWDSFSCJDA-UHFFFAOYSA-N	-1	1	360.757	1.323	20	10		FDCDMM
O=C(NCC1(OCCO)CCC(F)(F)CC1)c1c(F)ccc(O)c1[O-]	ZINC000863937087	973300834	/nfs/dbraw/zinc/30/08/34/973300834.db2.gz	KBSPTPNZWFIYTF-UHFFFAOYSA-N	-1	1	363.332	1.924	20	10		FDCDMM
CCOCCCN(C[C@@H](C)C(=O)OC)C(=O)c1c(F)ccc(O)c1[O-]	ZINC000825869399	992544140	/nfs/dbraw/zinc/54/41/40/992544140.db2.gz	ZTGDPRGSOVKECL-LLVKDONJSA-N	-1	1	357.378	1.915	20	10		FDCDMM
C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])c1ccc(Br)cc1[O-]	ZINC001593353361	994978423	/nfs/dbraw/zinc/97/84/23/994978423.db2.gz	UKHDRLZQGRSVOC-VGMNWLOBSA-N	-1	1	359.220	1.783	20	10		FDCDMM
COc1c([O-])c(C[N@H+]2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)ccc1[N+](=O)[O-]	ZINC001599345676	998001007	/nfs/dbraw/zinc/00/10/07/998001007.db2.gz	MKTQFTUBVSGZFY-MEDUHNTESA-N	-1	1	352.343	1.232	20	10		FDCDMM
COCCN1C(=O)C(=CNCc2ccccc2Cl)C(=O)[N-]C1=S	ZINC000060862021	522420488	/nfs/dbraw/zinc/42/04/88/522420488.db2.gz	VIGKSVQDRUOCNN-LUAWRHEFSA-N	-1	1	353.831	1.203	20	10		FDCDMM
Cc1ccc(C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c(O)c1O	ZINC000291825395	537681115	/nfs/dbraw/zinc/68/11/15/537681115.db2.gz	FJKVMMVMAHRHIF-JTQLQIEISA-N	-1	1	360.332	1.937	20	10		FDCDMM
Cc1oc(NC(=O)COC(=O)C2=CC(=O)CS2)c(-c2nn[n-]n2)c1C	ZINC000737552386	598723463	/nfs/dbraw/zinc/72/34/63/598723463.db2.gz	OJWYNSGXBQFXII-UHFFFAOYSA-N	-1	1	363.355	1.639	20	10		FDCDMM
Cc1nc([C@@H]2CN(c3ccc(C=CC(=O)[O-])cc3[N+](=O)[O-])CCO2)n[nH]1	ZINC000832990803	601214005	/nfs/dbraw/zinc/21/40/05/601214005.db2.gz	IBEZLHVREYRGOA-KQIUPUNMSA-N	-1	1	359.342	1.697	20	10		FDCDMM
C[C@H]1CN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC[C@H]1NC(=O)[O-]	ZINC000739170702	602765875	/nfs/dbraw/zinc/76/58/75/602765875.db2.gz	HGKXUOZZESKOOC-WMLDXEAASA-N	-1	1	362.474	1.689	20	10		FDCDMM
COCc1nsc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])n1	ZINC000273234877	674519537	/nfs/dbraw/zinc/51/95/37/674519537.db2.gz	MKVXHVQMOZSYCT-UHFFFAOYSA-N	-1	1	358.401	1.014	20	10		FDCDMM
C[C@@H](NC(=O)[O-])C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	ZINC000825177536	605520361	/nfs/dbraw/zinc/52/03/61/605520361.db2.gz	LRODQNUBDNXYAU-ZWNOBZJWSA-N	-1	1	355.822	1.782	20	10		FDCDMM
CCc1c(NC(=O)C2=S=C(c3nn[n-]n3)C=C2)n[nH]c1-c1ccncc1	ZINC000821461765	606548983	/nfs/dbraw/zinc/54/89/83/606548983.db2.gz	SQFFVXXZRGBNFC-UHFFFAOYSA-N	-1	1	366.410	1.182	20	10		FDCDMM
O=C(NCc1cccc(Br)c1[O-])N[C@@H]1CC(=O)N(C2CC2)C1	ZINC000277447877	674944866	/nfs/dbraw/zinc/94/48/66/674944866.db2.gz	NCGAQIWZAMVILN-SNVBAGLBSA-N	-1	1	368.231	1.717	20	10		FDCDMM
COc1cccc(C(=O)N2CCN(C(=O)c3c(F)ccc(O)c3[O-])CC2)c1	ZINC000276671723	778624380	/nfs/dbraw/zinc/62/43/80/778624380.db2.gz	NUEZCPGJBUDPTO-UHFFFAOYSA-N	-1	1	374.368	1.844	20	10		FDCDMM
CS(=O)(=O)N1CC[C@@H](CNC(=O)NCc2cccc(Cl)c2[O-])C1	ZINC000893817654	809746544	/nfs/dbraw/zinc/74/65/44/809746544.db2.gz	SMLMNAAOWCSQOF-JTQLQIEISA-N	-1	1	361.851	1.126	20	10		FDCDMM
CN1CCN(c2ccc(CNC(=O)N3CCC(C)(C(=O)[O-])CC3)cc2)CC1	ZINC000898859274	845340265	/nfs/dbraw/zinc/34/02/65/845340265.db2.gz	DFCRBRDABKPSLJ-UHFFFAOYSA-N	-1	1	374.485	1.835	20	10		FDCDMM
C[C@H]1CN(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)CC[C@@H]1C(=O)[O-]	ZINC000898859772	845341201	/nfs/dbraw/zinc/34/12/01/845341201.db2.gz	JCAMJUYRKGJVTR-YJBOKZPZSA-N	-1	1	374.485	1.691	20	10		FDCDMM
CN(C)S(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)cc2)cc1	ZINC000916106489	881354075	/nfs/dbraw/zinc/35/40/75/881354075.db2.gz	QYFSEGWNJSSWQP-UHFFFAOYSA-N	-1	1	356.425	1.443	20	10		FDCDMM
CN1CCC[C@@H](NC(=O)NCc2cccc(Br)c2[O-])C1=O	ZINC000764791033	905695557	/nfs/dbraw/zinc/69/55/57/905695557.db2.gz	LMYAKEXGKXMPOO-LLVKDONJSA-N	-1	1	356.220	1.575	20	10		FDCDMM
CCc1cc(O)ccc1[N-]S(=O)(=O)c1cccc(-c2nnnn2C)c1	ZINC000790417754	933528416	/nfs/dbraw/zinc/52/84/16/933528416.db2.gz	NJZSAIPAMOQEBD-UHFFFAOYSA-N	-1	1	359.411	1.946	20	10		FDCDMM
CCN(CC)C(=O)CNC(=O)NCc1cccc(Br)c1[O-]	ZINC000764767744	940475030	/nfs/dbraw/zinc/47/50/30/940475030.db2.gz	NAUUHFCQTCZXQZ-UHFFFAOYSA-N	-1	1	358.236	1.822	20	10		FDCDMM
CCS(=O)(=O)N1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])[C@H](C)C1	ZINC000809725033	940892445	/nfs/dbraw/zinc/89/24/45/940892445.db2.gz	ICKPKVKAFRPSSV-LLVKDONJSA-N	-1	1	373.431	1.165	20	10		FDCDMM
Cc1c(Br)n[nH]c1C(=O)NCC(=O)c1ccc([O-])c(O)c1	ZINC001195606580	971113666	/nfs/dbraw/zinc/11/36/66/971113666.db2.gz	YHSXKJPBEMKMRJ-UHFFFAOYSA-N	-1	1	354.160	1.505	20	10		FDCDMM
CN(Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1)C[C@@H]1COc2ccccc2O1	ZINC000846229524	950750129	/nfs/dbraw/zinc/75/01/29/950750129.db2.gz	CVCDUEDLDZYQOA-GFCCVEGCSA-N	-1	1	370.365	1.405	20	10		FDCDMM
COC(=O)C1CC2(C1)C[N@@H+](Cc1cc(F)cc(F)c1[O-])C[C@@H]2C(=O)[O-]	ZINC001593824219	955073728	/nfs/dbraw/zinc/07/37/28/955073728.db2.gz	JPIPEOHAQXDPMX-JKIHBJTHSA-N	-1	1	355.337	1.756	20	10		FDCDMM
O=C(CNC(=O)[C@@H]1CCC(=O)N1Cc1ccccc1)c1ccc([O-])c(O)c1	ZINC001181451640	960847628	/nfs/dbraw/zinc/84/76/28/960847628.db2.gz	ULVKZZFSIAOFQZ-HNNXBMFYSA-N	-1	1	368.389	1.588	20	10		FDCDMM
CC(=O)OC[C@H](C(=O)NCC(=O)c1ccc([O-])c(O)c1)c1ccccc1	ZINC001183114921	962818438	/nfs/dbraw/zinc/81/84/38/962818438.db2.gz	SHDMQCSSDVXZBU-HNNXBMFYSA-N	-1	1	357.362	1.744	20	10		FDCDMM
Nc1nc2ccc(CC(=O)NCC(=O)c3ccc([O-])c(O)c3)cc2s1	ZINC001183303033	962961856	/nfs/dbraw/zinc/96/18/56/962961856.db2.gz	WNHLVIMGOZIKGK-UHFFFAOYSA-N	-1	1	357.391	1.831	20	10		FDCDMM
CN1C(=O)C[C@H](C(=O)NCC(=O)c2ccc([O-])c(O)c2)[C@H]1c1cccnc1	ZINC001177649995	963932060	/nfs/dbraw/zinc/93/20/60/963932060.db2.gz	COJGLFPWYUGKDH-SCLBCKFNSA-N	-1	1	369.377	1.011	20	10		FDCDMM
COc1c([O-])c(CN2CCS(=O)(=O)[C@@H]3CCCC[C@@H]32)ccc1[N+](=O)[O-]	ZINC000774888596	963970816	/nfs/dbraw/zinc/97/08/16/963970816.db2.gz	RKODBLLOWPCIEE-GXTWGEPZSA-N	-1	1	370.427	1.851	20	10		FDCDMM
CC(=O)c1cc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)ccc1O	ZINC001185605133	964001545	/nfs/dbraw/zinc/00/15/45/964001545.db2.gz	SZDFUMKUUATQJI-UHFFFAOYSA-N	-1	1	359.367	1.576	20	10		FDCDMM
COc1c([O-])c(CN2CCN(C(=O)N(C)C)CC2(C)C)ccc1[N+](=O)[O-]	ZINC000775063031	964892682	/nfs/dbraw/zinc/89/26/82/964892682.db2.gz	MKVLXAUBDVGDSI-UHFFFAOYSA-N	-1	1	366.418	1.887	20	10		FDCDMM
O=C(CNC(=O)C(=O)Nc1c(F)cccc1F)c1ccc([O-])c(O)c1	ZINC001187115120	964991332	/nfs/dbraw/zinc/99/13/32/964991332.db2.gz	PILFLPMZANKGKD-UHFFFAOYSA-N	-1	1	350.277	1.314	20	10		FDCDMM
COc1ccc(O)c([C@H](C)[N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])c1	ZINC001187326141	965190765	/nfs/dbraw/zinc/19/07/65/965190765.db2.gz	VNAMGFXRMIYMMJ-VIFPVBQESA-N	-1	1	353.356	1.744	20	10		FDCDMM
CC1(c2cccc(C(=O)NCC(=O)c3ccc([O-])c(O)c3)n2)OCCO1	ZINC001190858665	968136179	/nfs/dbraw/zinc/13/61/79/968136179.db2.gz	OXBFOKZNTLVBTR-UHFFFAOYSA-N	-1	1	358.350	1.325	20	10		FDCDMM
C[C@@H]1C[C@H]1c1cc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])n[nH]1	ZINC000855003079	970091412	/nfs/dbraw/zinc/09/14/12/970091412.db2.gz	GCTHIGVOHGPXIJ-PSASIEDQSA-N	-1	1	350.400	1.863	20	10		FDCDMM
O=C(NC[C@@H]1CN(Cc2ccncc2)CCO1)c1c(F)ccc(O)c1[O-]	ZINC000863943018	973306030	/nfs/dbraw/zinc/30/60/30/973306030.db2.gz	KMTSSJFTOTVZHL-CYBMUJFWSA-N	-1	1	361.373	1.263	20	10		FDCDMM
Cc1cc(Cn2nnc(C(=O)OCC(=O)c3ccc([O-])c(O)c3)c2C)on1	ZINC000796531663	1014740106	/nfs/dbraw/zinc/74/01/06/1014740106.db2.gz	WJGBTECHLRVQTF-UHFFFAOYSA-N	-1	1	372.337	1.382	20	10		FDCDMM
COC(=O)[C@H](C[C@@H]1CCCOC1)NCc1ccc([N+](=O)[O-])c(OC)c1[O-]	ZINC000862516741	984402695	/nfs/dbraw/zinc/40/26/95/984402695.db2.gz	YBDDVUIAUARVLM-AAEUAGOBSA-N	-1	1	368.386	1.757	20	10		FDCDMM
CNC(=O)NC[C@H]1CN(Cc2c(O)c(C(=O)[O-])cc3ccccc32)CCO1	ZINC001598653882	994489998	/nfs/dbraw/zinc/48/99/98/994489998.db2.gz	VCRIDRNIMNWAJK-ZDUSSCGKSA-N	-1	1	373.409	1.373	20	10		FDCDMM
CNS(=O)(=O)[C@H]1CCN(Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])C1	ZINC001598669420	994730341	/nfs/dbraw/zinc/73/03/41/994730341.db2.gz	NCIHJTSTDCMAEB-NSHDSACASA-N	-1	1	369.418	1.139	20	10		FDCDMM
O=C(NCc1cccc(Br)c1[O-])NC[C@@H]1C[C@@H]2COC[C@@H]2O1	ZINC000926667009	996263635	/nfs/dbraw/zinc/26/36/35/996263635.db2.gz	NGURJWULSNGLPF-MDZLAQPJSA-N	-1	1	371.231	1.758	20	10		FDCDMM
COC(=O)[C@H]1CN(C)CCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1	ZINC001598817328	996284645	/nfs/dbraw/zinc/28/46/45/996284645.db2.gz	GPKDGNHYUGWINT-AGLBCWCQSA-N	-1	1	363.370	1.234	20	10		FDCDMM
Cc1cnc(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c([O-])c1	ZINC000778543316	1006434110	/nfs/dbraw/zinc/43/41/10/1006434110.db2.gz	MXTOYQIJISOTQK-OAHLLOKOSA-N	-1	1	368.437	1.727	20	10		FDCDMM
CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]Cc1ccc(N(C)C)c(F)c1	ZINC000269646638	674111221	/nfs/dbraw/zinc/11/12/21/674111221.db2.gz	GFJASACBBHQMFY-UHFFFAOYSA-N	-1	1	370.406	1.270	20	10		FDCDMM
CNS(=O)(=O)C1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1	ZINC000271182306	674319583	/nfs/dbraw/zinc/31/95/83/674319583.db2.gz	MPIRJDCWKBPCBX-UHFFFAOYSA-N	-1	1	363.823	1.467	20	10		FDCDMM
CC(C)(CCc1noc(-c2cc(NS(C)(=O)=O)ccc2[O-])n1)[N+](=O)[O-]	ZINC000291035147	537510316	/nfs/dbraw/zinc/51/03/16/537510316.db2.gz	FRDWOVWNBZXACC-UHFFFAOYSA-N	-1	1	370.387	1.802	20	10		FDCDMM
O=S(=O)([N-]c1ccc(-c2nn[nH]n2)cc1F)c1cccc2nonc21	ZINC000823583572	607328384	/nfs/dbraw/zinc/32/83/84/607328384.db2.gz	UVPJKVVQMCMVEQ-UHFFFAOYSA-N	-1	1	361.318	1.343	20	10		FDCDMM
CC1(C)NC(=O)N(CC[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])C1=O	ZINC000736737199	600313804	/nfs/dbraw/zinc/31/38/04/600313804.db2.gz	GRRYBBPOKRYORP-UHFFFAOYSA-N	-1	1	369.805	1.263	20	10		FDCDMM
CC1(C)NC(=O)N(CC[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])C1=O	ZINC000736737199	600313808	/nfs/dbraw/zinc/31/38/08/600313808.db2.gz	GRRYBBPOKRYORP-UHFFFAOYSA-N	-1	1	369.805	1.263	20	10		FDCDMM
Cc1cc(O)c(C(C)C)cc1NS(=O)(=O)c1cnn(CC(=O)[O-])c1	ZINC000832898077	601492766	/nfs/dbraw/zinc/49/27/66/601492766.db2.gz	BVHLYFLTYFUENQ-UHFFFAOYSA-N	-1	1	353.400	1.906	20	10		FDCDMM
CCN1CCN(c2ccc(CNC(=O)C[C@@H](C)NC(=O)[O-])cc2F)CC1	ZINC000827228583	602876340	/nfs/dbraw/zinc/87/63/40/602876340.db2.gz	PVWNGZCKFQWULL-CYBMUJFWSA-N	-1	1	366.437	1.630	20	10		FDCDMM
O=C([O-])NCCNC(=O)[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2[O-])C1	ZINC000834242001	605992561	/nfs/dbraw/zinc/99/25/61/605992561.db2.gz	VYMSRIHIPKJNIF-LBPRGKRZSA-N	-1	1	355.822	1.641	20	10		FDCDMM
Cc1nc(CN2CCN(C(=O)c3c(F)ccc(O)c3[O-])CC2)cs1	ZINC000276780838	674767548	/nfs/dbraw/zinc/76/75/48/674767548.db2.gz	ZGNUNZGGPCCXQM-UHFFFAOYSA-N	-1	1	351.403	1.960	20	10		FDCDMM
COC(=O)CCCS(=O)(=O)NCc1cccc(Br)c1[O-]	ZINC000277426461	674940485	/nfs/dbraw/zinc/94/04/85/674940485.db2.gz	BMZCZKSORQIXEY-UHFFFAOYSA-N	-1	1	366.233	1.527	20	10		FDCDMM
COCCO[C@H]1C[C@@H](CO)CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1	ZINC000278709579	675183844	/nfs/dbraw/zinc/18/38/44/675183844.db2.gz	OLLMKQSEPYXROB-RISCZKNCSA-N	-1	1	374.821	1.800	20	10		FDCDMM
O=C1[N-]C(=S)NC(=O)/C1=C\Nc1ccc(-c2cn3ccsc3n2)cc1	ZINC000121018554	671698745	/nfs/dbraw/zinc/69/87/45/671698745.db2.gz	HYGKPXBFGRVYJH-UHFFFAOYSA-N	-1	1	369.431	1.890	20	10		FDCDMM
O=C1[N-]C(=S)NC(=O)/C1=C/Nc1ccc(-c2cn3ccsc3n2)cc1	ZINC000121018554	671698748	/nfs/dbraw/zinc/69/87/48/671698748.db2.gz	HYGKPXBFGRVYJH-UHFFFAOYSA-N	-1	1	369.431	1.890	20	10		FDCDMM
O=C1[N-]C(=S)NC(=O)C1=CNc1ccc(-c2cn3ccsc3n2)cc1	ZINC000121018554	671698751	/nfs/dbraw/zinc/69/87/51/671698751.db2.gz	HYGKPXBFGRVYJH-UHFFFAOYSA-N	-1	1	369.431	1.890	20	10		FDCDMM
CCOC(=O)N1CCC[C@H](C(=O)OCC(=O)c2ccc([O-])c(O)c2)C1	ZINC000782671078	786019679	/nfs/dbraw/zinc/01/96/79/786019679.db2.gz	AQBXKHXYKXRCBT-LBPRGKRZSA-N	-1	1	351.355	1.692	20	10		FDCDMM
O=C(COC(=O)[C@H]1CCCCN1c1ncccn1)c1ccc([O-])c(O)c1	ZINC000782698157	786933855	/nfs/dbraw/zinc/93/38/55/786933855.db2.gz	PDRACMPGWISKES-CYBMUJFWSA-N	-1	1	357.366	1.673	20	10		FDCDMM
O=C(COC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)c1ccc([O-])c(O)c1	ZINC000782750290	787475880	/nfs/dbraw/zinc/47/58/80/787475880.db2.gz	XVEYKUXMVBOWGP-ZDUSSCGKSA-N	-1	1	355.346	1.877	20	10		FDCDMM
COc1ccc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1OCCO	ZINC000782974940	789503647	/nfs/dbraw/zinc/50/36/47/789503647.db2.gz	AAPYUGZHDLBVMZ-UHFFFAOYSA-N	-1	1	362.334	1.517	20	10		FDCDMM
Cc1cc(Br)c([O-])c(CN2CCN3C(=O)NC(=O)[C@H]3C2)c1	ZINC000761214774	864371558	/nfs/dbraw/zinc/37/15/58/864371558.db2.gz	DNCBNTWPJSIWAA-LLVKDONJSA-N	-1	1	354.204	1.199	20	10		FDCDMM
Cc1cc(C)cc(C(=O)NCC(=O)OCC(=O)c2ccc([O-])c(O)c2)c1	ZINC000916590420	881785876	/nfs/dbraw/zinc/78/58/76/881785876.db2.gz	YXAKBTOZYISOLI-UHFFFAOYSA-N	-1	1	357.362	1.871	20	10		FDCDMM
O=C(CN1C(=O)c2ccccc2C1=O)OCC(=O)c1ccc([O-])c(O)c1	ZINC000916589891	881785948	/nfs/dbraw/zinc/78/59/48/881785948.db2.gz	DNORWUBBAUSKOD-UHFFFAOYSA-N	-1	1	355.302	1.120	20	10		FDCDMM
O=C(CSc1nnc2c(=O)[nH]c3ccccc3n12)c1ccc([O-])c(O)c1	ZINC000916608959	881824301	/nfs/dbraw/zinc/82/43/01/881824301.db2.gz	ZCYDGEAHQZVIGN-UHFFFAOYSA-N	-1	1	368.374	1.957	20	10		FDCDMM
COCCN1C(=O)C(=CNc2ccc(C)cc2Cl)C(=O)[N-]C1=S	ZINC000920976245	887361230	/nfs/dbraw/zinc/36/12/30/887361230.db2.gz	TYQQTTOWJJZFBN-CSKARUKUSA-N	-1	1	353.831	1.834	20	10		FDCDMM
COc1ccc(NC=C2C(=O)[N-]C(=S)N(CC(C)C)C2=O)cc1OC	ZINC000920976930	887362289	/nfs/dbraw/zinc/36/22/89/887362289.db2.gz	SDMPDUGUPNVCSF-XYOKQWHBSA-N	-1	1	363.439	1.899	20	10		FDCDMM
COCCN1C(=O)C(=CNc2cccc3ncccc32)C(=O)[N-]C1=S	ZINC000920980017	887363699	/nfs/dbraw/zinc/36/36/99/887363699.db2.gz	SEBYINMQLNWNSG-BENRWUELSA-N	-1	1	356.407	1.420	20	10		FDCDMM
COc1ccc(-n2c(C)cc(C(=O)OCc3nc(=O)n(C)[n-]3)c2C)cc1	ZINC000765404736	907002759	/nfs/dbraw/zinc/00/27/59/907002759.db2.gz	JBKWWZZCJKSPND-UHFFFAOYSA-N	-1	1	356.382	1.882	20	10		FDCDMM
C[C@@H]1CN(CCNC(=O)NCc2cccc(Br)c2[O-])CCO1	ZINC000765479415	907248991	/nfs/dbraw/zinc/24/89/91/907248991.db2.gz	NSZQVPCRONAACO-LLVKDONJSA-N	-1	1	372.263	1.675	20	10		FDCDMM
CC(C)CN1C(=O)C(=CNC[C@@H]2COc3ccccc3C2)C(=O)[N-]C1=S	ZINC000730970349	917539049	/nfs/dbraw/zinc/53/90/49/917539049.db2.gz	ZJRFOHMCNMCJIQ-GULXKOIASA-N	-1	1	373.478	1.611	20	10		FDCDMM
NC(=O)c1ncccc1C(=O)NCc1cccc(Br)c1[O-]	ZINC000787581920	932333887	/nfs/dbraw/zinc/33/38/87/932333887.db2.gz	QMHZTNHKGAWAMZ-UHFFFAOYSA-N	-1	1	350.172	1.579	20	10		FDCDMM
CCc1cc(O)ccc1[N-]S(=O)(=O)c1cccc(S(=O)(=O)NC)c1	ZINC000790415188	933527693	/nfs/dbraw/zinc/52/76/93/933527693.db2.gz	ARCSGUYOVRJWER-UHFFFAOYSA-N	-1	1	370.452	1.664	20	10		FDCDMM
COc1ccc(C(=O)[N-]C(=O)COC(=O)/C=C/c2ccc(O)c(O)c2)cc1	ZINC000772773353	933987384	/nfs/dbraw/zinc/98/73/84/933987384.db2.gz	BTAVUHLQTKQNTA-YCRREMRBSA-N	-1	1	371.345	1.619	20	10		FDCDMM
CCN1CCN(c2ccc(CNC(=O)NC3(C(=O)[O-])CC3)cc2F)CC1	ZINC001119635212	939814558	/nfs/dbraw/zinc/81/45/58/939814558.db2.gz	MCKFQNKTGOCPEP-UHFFFAOYSA-N	-1	1	364.421	1.384	20	10		FDCDMM
C[C@H](NC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2)c1ccc(N(C)C)cc1	ZINC000806985800	940199529	/nfs/dbraw/zinc/19/95/29/940199529.db2.gz	DHLIQFNISCCUSB-LBPRGKRZSA-N	-1	1	366.425	1.224	20	10		FDCDMM
Cc1onc(N)c1S(=O)(=O)[N-][C@H](C)c1ccc(N2CCOCC2)cc1	ZINC000809810013	940900355	/nfs/dbraw/zinc/90/03/55/940900355.db2.gz	IFEUCTABTSCTAI-LLVKDONJSA-N	-1	1	366.443	1.441	20	10		FDCDMM
CON1CCC(NC(=O)NCc2cccc(Br)c2[O-])CC1	ZINC000817173540	942609332	/nfs/dbraw/zinc/60/93/32/942609332.db2.gz	OWSZCWNVDCIMGX-UHFFFAOYSA-N	-1	1	358.236	1.980	20	10		FDCDMM
CCOC(=O)Cn1cnc(NCc2cccc(Br)c2[O-])n1	ZINC000819145303	943439218	/nfs/dbraw/zinc/43/92/18/943439218.db2.gz	BVDUQYICBIAGMZ-UHFFFAOYSA-N	-1	1	355.192	1.921	20	10		FDCDMM
COc1ccc(N2CC[C@@H](NC(=O)N=c3ccnc4n(C)[n-]cc3-4)C2)cc1	ZINC000823063233	945423910	/nfs/dbraw/zinc/42/39/10/945423910.db2.gz	RJJXLXBNYKTYGA-CYBMUJFWSA-N	-1	1	366.425	1.751	20	10		FDCDMM
COc1ccc(N(C)CCN(C)C(=O)c2[nH]c(=O)[n-]c(=O)c2OC)cc1	ZINC000846442548	951120971	/nfs/dbraw/zinc/12/09/71/951120971.db2.gz	SJUYWISIHAAOKX-UHFFFAOYSA-N	-1	1	362.386	1.113	20	10		FDCDMM
O=C([O-])[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)C1=CC(=O)CS1	ZINC001594891949	954538940	/nfs/dbraw/zinc/53/89/40/954538940.db2.gz	ZPQNQMJCGBOROI-VXNVDRBHSA-N	-1	1	366.317	1.190	20	10		FDCDMM
CCCCOC(=O)N[C@H](C(=O)NCC(=O)c1ccc([O-])c(O)c1)C1CC1	ZINC001186299927	964425450	/nfs/dbraw/zinc/42/54/50/964425450.db2.gz	FDNNDWSNFAMSJM-INIZCTEOSA-N	-1	1	364.398	1.702	20	10		FDCDMM
O=C(CCN1Cc2ccccc2C1=O)NCC(=O)c1ccc([O-])c(O)c1	ZINC001178832871	964482995	/nfs/dbraw/zinc/48/29/95/964482995.db2.gz	AQGAFXPYPNBIJG-UHFFFAOYSA-N	-1	1	354.362	1.443	20	10		FDCDMM
CC(C)CC(=O)N1CCC(C(=O)NCC(=O)c2ccc([O-])c(O)c2)CC1	ZINC001180623488	965420408	/nfs/dbraw/zinc/42/04/08/965420408.db2.gz	JKFWMUIZBAIAEI-UHFFFAOYSA-N	-1	1	362.426	1.681	20	10		FDCDMM
COC(=O)c1cnc(SCC(=O)[N-]C(=O)c2ccc(OC)cc2)s1	ZINC001189407450	966959252	/nfs/dbraw/zinc/95/92/52/966959252.db2.gz	ANYAJIXAOXVMQC-UHFFFAOYSA-N	-1	1	366.420	1.987	20	10		FDCDMM
COC(=O)C[C@H](NC(=O)c1ccc(O)c([O-])c1Cl)C(=O)OC(C)(C)C	ZINC001193236617	969565534	/nfs/dbraw/zinc/56/55/34/969565534.db2.gz	JQSPCJANOYLPHW-VIFPVBQESA-N	-1	1	373.789	1.754	20	10		FDCDMM
COC(=O)c1cc(O)c(OC)cc1[N-]S(=O)(=O)C1CCC(=O)CC1	ZINC001194798766	970422037	/nfs/dbraw/zinc/42/20/37/970422037.db2.gz	CJUCPMPSTAXKIP-UHFFFAOYSA-N	-1	1	357.384	1.441	20	10		FDCDMM
COc1ccc(O)c([C@H](C)NC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)c1	ZINC000104900697	973997752	/nfs/dbraw/zinc/99/77/52/973997752.db2.gz	DHDFYUUJPJEDHN-NSHDSACASA-N	-1	1	370.409	1.774	20	10		FDCDMM
O=C(CCc1nn[n-]n1)NC1CCN(c2ccc(OC(F)F)cc2)CC1	ZINC000865118142	974110517	/nfs/dbraw/zinc/11/05/17/974110517.db2.gz	VOXXDBHXZIDSCS-UHFFFAOYSA-N	-1	1	366.372	1.519	20	10		FDCDMM
Cc1cc(Br)c([O-])c(CNCc2nnc3n2CCNC3=O)c1	ZINC000883294692	982051608	/nfs/dbraw/zinc/05/16/08/982051608.db2.gz	HPRKKYQPMNNUIP-UHFFFAOYSA-N	-1	1	366.219	1.088	20	10		FDCDMM
CCc1cc(N2CCC[C@H](NC(=O)c3c(F)ccc(O)c3[O-])C2)ncn1	ZINC000295392877	988679033	/nfs/dbraw/zinc/67/90/33/988679033.db2.gz	YRLWBEUWFBYFTI-LBPRGKRZSA-N	-1	1	360.389	1.988	20	10		FDCDMM
COc1cc(N(C)Cc2nc3c(c(=O)[n-]2)COCC3)cc(OC)c1OC	ZINC000878128556	993728724	/nfs/dbraw/zinc/72/87/24/993728724.db2.gz	GCEHIAGTMCNMDT-UHFFFAOYSA-N	-1	1	361.398	1.917	20	10		FDCDMM
CC(=O)c1cc(Cl)cc(CN2CCC[C@H]3OCCNC(=O)[C@@H]32)c1[O-]	ZINC000879719942	995219448	/nfs/dbraw/zinc/21/94/48/995219448.db2.gz	QFGSTGZBNIQZLO-HUUCEWRRSA-N	-1	1	352.818	1.728	20	10		FDCDMM
COc1cc(Br)cc(CN2C[C@@H](O)C[C@H](C(=O)[O-])C2)c1O	ZINC001599346340	998013582	/nfs/dbraw/zinc/01/35/82/998013582.db2.gz	FYBNKGCGIQIOAX-ONGXEEELSA-N	-1	1	360.204	1.431	20	10		FDCDMM
O=C(CN1CCN(C(=O)c2c(F)ccc(O)c2[O-])CC1)Nc1ccccc1	ZINC000276462433	537526400	/nfs/dbraw/zinc/52/64/00/537526400.db2.gz	CAHUWXAQCVDDOJ-UHFFFAOYSA-N	-1	1	373.384	1.633	20	10		FDCDMM
CNC(=O)c1cc(S(=O)(=O)[N-]c2cc(C)c(O)c(C)c2C)cn1C	ZINC000274845345	537533985	/nfs/dbraw/zinc/53/39/85/537533985.db2.gz	XALOXKVCBNLWPP-UHFFFAOYSA-N	-1	1	351.428	1.816	20	10		FDCDMM
CNS(=O)(=O)NC1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1	ZINC000291471242	537604373	/nfs/dbraw/zinc/60/43/73/537604373.db2.gz	DXQFOUGBBQQVLO-UHFFFAOYSA-N	-1	1	368.286	1.717	20	10		FDCDMM
COc1ccc(N2CCN(C(=O)CN3CCC(C(=O)[O-])CC3)CC2)cc1	ZINC000739911059	596918826	/nfs/dbraw/zinc/91/88/26/596918826.db2.gz	WTRGGZGNJDDFNH-UHFFFAOYSA-N	-1	1	361.442	1.140	20	10		FDCDMM
OCC1CCN(c2ccc(CNc3nccnc3-c3nnn[n-]3)cc2)CC1	ZINC000738393950	598346017	/nfs/dbraw/zinc/34/60/17/598346017.db2.gz	OPBFZKIDXRYIBD-UHFFFAOYSA-N	-1	1	366.429	1.478	20	10		FDCDMM
OCC1CCN(c2ccc(CNc3nccnc3-c3nn[n-]n3)cc2)CC1	ZINC000738393950	598346019	/nfs/dbraw/zinc/34/60/19/598346019.db2.gz	OPBFZKIDXRYIBD-UHFFFAOYSA-N	-1	1	366.429	1.478	20	10		FDCDMM
CC[C@@H]1CN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CCN1C[C@H](C)O	ZINC000736942870	600213942	/nfs/dbraw/zinc/21/39/42/600213942.db2.gz	FSVNZNXIIZJDPO-HIINFBLBSA-N	-1	1	363.414	1.974	20	10		FDCDMM
Cc1cc(N(C)C)ccc1CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1	ZINC000822205813	606172756	/nfs/dbraw/zinc/17/27/56/606172756.db2.gz	JANMGWBYTPLAPE-UHFFFAOYSA-N	-1	1	355.406	1.296	20	10		FDCDMM
Cc1cc(N(C)C)ccc1CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1	ZINC000822205813	606172757	/nfs/dbraw/zinc/17/27/57/606172757.db2.gz	JANMGWBYTPLAPE-UHFFFAOYSA-N	-1	1	355.406	1.296	20	10		FDCDMM
CCN(C)C(=O)[C@@H](C)NC(=O)NCc1cccc(Br)c1[O-]	ZINC000277498369	674955350	/nfs/dbraw/zinc/95/53/50/674955350.db2.gz	QZTPIARUHWVHAV-SECBINFHSA-N	-1	1	358.236	1.821	20	10		FDCDMM
CC(C)NC(=O)CCNC(=O)NCc1cccc(Br)c1[O-]	ZINC000277504762	674956738	/nfs/dbraw/zinc/95/67/38/674956738.db2.gz	RLTPVAJWKPFKSF-UHFFFAOYSA-N	-1	1	358.236	1.869	20	10		FDCDMM
CS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2)cc1	ZINC000023398113	670706116	/nfs/dbraw/zinc/70/61/16/670706116.db2.gz	WBUWEZHRAUAVGU-UHFFFAOYSA-N	-1	1	361.832	1.907	20	10		FDCDMM
O=C(NCc1cccc(Br)c1[O-])[C@@H]1OC[C@H]2COCC[C@H]21	ZINC000290553911	676213387	/nfs/dbraw/zinc/21/33/87/676213387.db2.gz	XBDXUIJWGRDGCR-JTNHKYCSSA-N	-1	1	356.216	1.822	20	10		FDCDMM
O=S(=O)(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)[C@@H]1CCOC1	ZINC000378235476	678723932	/nfs/dbraw/zinc/72/39/32/678723932.db2.gz	RCIUJEVACWJRIV-HUUCEWRRSA-N	-1	1	374.890	1.718	20	10		FDCDMM
COCCN1C(=O)C(=CNc2cccc3cccnc32)C(=O)[N-]C1=S	ZINC000920979368	887363788	/nfs/dbraw/zinc/36/37/88/887363788.db2.gz	JMDYEIYOVYDHGM-ZRDIBKRKSA-N	-1	1	356.407	1.420	20	10		FDCDMM
CCNC(=O)c1cccc(NC=C2C(=O)[N-]C(=S)N(CC(C)C)C2=O)c1	ZINC000920979385	887364236	/nfs/dbraw/zinc/36/42/36/887364236.db2.gz	KKPFVWOZUGKXGS-NTEUORMPSA-N	-1	1	374.466	1.631	20	10		FDCDMM
CCC(=O)N1CC[C@@H](NC(=O)NCc2cccc(Br)c2[O-])C1	ZINC000764799061	905700824	/nfs/dbraw/zinc/70/08/24/905700824.db2.gz	YXOXPVZDISDAEJ-LLVKDONJSA-N	-1	1	370.247	1.965	20	10		FDCDMM
O=C(Cn1ccc([N+](=O)[O-])n1)NCc1cccc(Br)c1[O-]	ZINC000765733639	908424499	/nfs/dbraw/zinc/42/44/99/908424499.db2.gz	ZGLMROSXSAMCRB-UHFFFAOYSA-N	-1	1	355.148	1.576	20	10		FDCDMM
O=S(=O)(C[C@@H]1CCOC1)NCc1cccc(Br)c1[O-]	ZINC000766201291	922533282	/nfs/dbraw/zinc/53/32/82/922533282.db2.gz	QPUWNVWSHAWGOO-SECBINFHSA-N	-1	1	350.234	1.611	20	10		FDCDMM
CCn1cncc1S(=O)(=O)NCc1cccc(Br)c1[O-]	ZINC000766201395	922533665	/nfs/dbraw/zinc/53/36/65/922533665.db2.gz	SGKJSMBBUQILFJ-UHFFFAOYSA-N	-1	1	360.233	1.850	20	10		FDCDMM
COc1c([O-])c(CN2CCC[C@]3(CCS(=O)(=O)C3)C2)ccc1[N+](=O)[O-]	ZINC000824983595	946921826	/nfs/dbraw/zinc/92/18/26/946921826.db2.gz	ZGGLFLOBUVKTKC-INIZCTEOSA-N	-1	1	370.427	1.710	20	10		FDCDMM
COc1c([O-])c(CN2CCS(=O)(=O)[C@@H]3CCC[C@@H]32)ccc1[N+](=O)[O-]	ZINC000825202254	947034244	/nfs/dbraw/zinc/03/42/44/947034244.db2.gz	QHQXCVHFAQLRSH-WCQYABFASA-N	-1	1	356.400	1.461	20	10		FDCDMM
CN1CCN(c2ccc(CNC(=O)Nc3cc(C(=O)[O-])ccn3)cc2)CC1	ZINC001593786897	954712390	/nfs/dbraw/zinc/71/23/90/954712390.db2.gz	JAKGHHKOPUQAAP-UHFFFAOYSA-N	-1	1	369.425	1.853	20	10		FDCDMM
CC(=O)OC[C@@H](C(=O)NCC(=O)c1ccc([O-])c(O)c1)c1ccccc1	ZINC001183114923	962819080	/nfs/dbraw/zinc/81/90/80/962819080.db2.gz	SHDMQCSSDVXZBU-OAHLLOKOSA-N	-1	1	357.362	1.744	20	10		FDCDMM
COC(=O)c1ccc(N)cc1S(=O)(=O)Nc1c(F)cc([O-])cc1F	ZINC001175102294	963035295	/nfs/dbraw/zinc/03/52/95/963035295.db2.gz	GVDJHUMCZRTKRL-UHFFFAOYSA-N	-1	1	358.322	1.840	20	10		FDCDMM
O=C(Cn1c(=O)[nH]c2cc(F)ccc21)NCC(=O)c1ccc([O-])c(O)c1	ZINC001184518602	963633020	/nfs/dbraw/zinc/63/30/20/963633020.db2.gz	SINNFEBGKSJQOU-UHFFFAOYSA-N	-1	1	359.313	1.291	20	10		FDCDMM
Cc1c(C(=O)NCC(=O)c2ccc([O-])c(O)c2)cccc1N1CCOCC1	ZINC001187481042	965415725	/nfs/dbraw/zinc/41/57/25/965415725.db2.gz	AOKJGNVNCSXEJV-UHFFFAOYSA-N	-1	1	370.405	1.856	20	10		FDCDMM
Cn1ncc(S(=O)(=O)[N-]Cc2ccc(O)cc2O)c1C(F)(F)F	ZINC001191530106	968570083	/nfs/dbraw/zinc/57/00/83/968570083.db2.gz	IHEOKYLNMFCHKB-UHFFFAOYSA-N	-1	1	351.306	1.329	20	10		FDCDMM
CCON(C)C(=O)CNC(=O)NCc1cccc(Br)c1[O-]	ZINC000845564755	975019604	/nfs/dbraw/zinc/01/96/04/975019604.db2.gz	NWBFHZQFUBZLQL-UHFFFAOYSA-N	-1	1	360.208	1.364	20	10		FDCDMM
O=C(Cn1ccc(NCc2cc(F)cc(F)c2[O-])n1)N1CCOCC1	ZINC000883043200	981908928	/nfs/dbraw/zinc/90/89/28/981908928.db2.gz	ZNYAJZYGUVPRPZ-UHFFFAOYSA-N	-1	1	352.341	1.338	20	10		FDCDMM
Cc1onc(CC(=O)NCc2c(O)ccc3c2CCCC3)c1-c1nnn[n-]1	ZINC000826347800	982438579	/nfs/dbraw/zinc/43/85/79/982438579.db2.gz	GOXPQPLUAOHOET-UHFFFAOYSA-N	-1	1	368.397	1.606	20	10		FDCDMM
Cc1onc(CC(=O)NCc2c(O)ccc3c2CCCC3)c1-c1nn[n-]n1	ZINC000826347800	982438583	/nfs/dbraw/zinc/43/85/83/982438583.db2.gz	GOXPQPLUAOHOET-UHFFFAOYSA-N	-1	1	368.397	1.606	20	10		FDCDMM
COc1cc(Cl)cc(CN2CC[C@H](n3cc(C(=O)[O-])nn3)C2)c1O	ZINC001599420430	997585263	/nfs/dbraw/zinc/58/52/63/997585263.db2.gz	HTAVIGQGVZFAGO-NSHDSACASA-N	-1	1	352.778	1.791	20	10		FDCDMM
COc1c([O-])c(C[N@H+](CCC(=O)[O-])C[C@H]2CCCO2)ccc1[N+](=O)[O-]	ZINC001599344433	997977378	/nfs/dbraw/zinc/97/73/78/997977378.db2.gz	IXSCVPOSZJUKMV-GFCCVEGCSA-N	-1	1	354.359	1.765	20	10		FDCDMM
COc1c([O-])c(C[N@@H+](CCC(=O)[O-])C[C@H]2CCCO2)ccc1[N+](=O)[O-]	ZINC001599344433	997977386	/nfs/dbraw/zinc/97/73/86/997977386.db2.gz	IXSCVPOSZJUKMV-GFCCVEGCSA-N	-1	1	354.359	1.765	20	10		FDCDMM
COc1ccc(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c(O)c1	ZINC000795357234	1006341170	/nfs/dbraw/zinc/34/11/70/1006341170.db2.gz	BRWCCIWDHYVVAD-UHFFFAOYSA-N	-1	1	356.331	1.927	20	10		FDCDMM
CCN(Cc1cc(Br)ccc1O)[C@H](C)C(=O)NCC(=O)[O-]	ZINC000829718335	604769867	/nfs/dbraw/zinc/76/98/67/604769867.db2.gz	HXSVZCIFIONBRW-SECBINFHSA-N	-1	1	359.220	1.566	20	10		FDCDMM
COC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccc3c(c2)CCCN3C)o1	ZINC000107700187	671612055	/nfs/dbraw/zinc/61/20/55/671612055.db2.gz	UBQIATJAFKBCEE-UHFFFAOYSA-N	-1	1	364.423	1.927	20	10		FDCDMM
O=C(NC1CCN(C(=O)c2ccncc2)CC1)c1c(F)ccc(O)c1[O-]	ZINC000276624298	778409656	/nfs/dbraw/zinc/40/96/56/778409656.db2.gz	VDHHTQMKHKLHGZ-UHFFFAOYSA-N	-1	1	359.357	1.667	20	10		FDCDMM
O=C(COC(=O)[C@@H]1CCCCN1c1ncccn1)c1ccc([O-])c(O)c1	ZINC000782698158	786933975	/nfs/dbraw/zinc/93/39/75/786933975.db2.gz	PDRACMPGWISKES-ZDUSSCGKSA-N	-1	1	357.366	1.673	20	10		FDCDMM
O=C(COC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)c1ccc([O-])c(O)c1	ZINC000916595421	881797964	/nfs/dbraw/zinc/79/79/64/881797964.db2.gz	HVFJXZCPANTZSW-GFCCVEGCSA-N	-1	1	359.334	1.465	20	10		FDCDMM
COCCN1C(=O)C(=CNc2ccc(Cl)cc2C)C(=O)[N-]C1=S	ZINC000920974530	887359486	/nfs/dbraw/zinc/35/94/86/887359486.db2.gz	PIZSJAFITBMAPT-DHZHZOJOSA-N	-1	1	353.831	1.834	20	10		FDCDMM
O=C1OC[C@H]2CN(Cc3cccc(I)c3[O-])CCN12	ZINC001237778858	897402976	/nfs/dbraw/zinc/40/29/76/897402976.db2.gz	CEAXILZWHWPXHE-SNVBAGLBSA-N	-1	1	374.178	1.633	20	10		FDCDMM
O=C(NCc1cccc(Br)c1[O-])C(=O)Nc1cncnc1	ZINC000765927575	898024070	/nfs/dbraw/zinc/02/40/70/898024070.db2.gz	UPUZYCCWNPNAMN-UHFFFAOYSA-N	-1	1	351.160	1.200	20	10		FDCDMM
C[C@@H](NC(=O)NCc1cccc(Br)c1[O-])[C@H]1CN(C)CCO1	ZINC000764798292	905699208	/nfs/dbraw/zinc/69/92/08/905699208.db2.gz	CAAVCSDCPPSNSN-ZWNOBZJWSA-N	-1	1	372.263	1.673	20	10		FDCDMM
C[C@@H](NC(=O)NCc1cccc(Br)c1[O-])[C@@H]1CN(C)CCO1	ZINC000764798289	905699305	/nfs/dbraw/zinc/69/93/05/905699305.db2.gz	CAAVCSDCPPSNSN-MFKMUULPSA-N	-1	1	372.263	1.673	20	10		FDCDMM
CC(=O)Nc1cc(S(=O)(=O)Nc2ccc3c(c2)OCO3)ccc1[O-]	ZINC000765015300	906261357	/nfs/dbraw/zinc/26/13/57/906261357.db2.gz	RZQHTLGUXISHBG-UHFFFAOYSA-N	-1	1	350.352	1.880	20	10		FDCDMM
O=C(CNC(=O)c1ccccn1)NCc1cccc(Br)c1[O-]	ZINC000765736107	908457438	/nfs/dbraw/zinc/45/74/38/908457438.db2.gz	LMKKQYCIQFLAEZ-UHFFFAOYSA-N	-1	1	364.199	1.596	20	10		FDCDMM
COc1ccc(N2CCN(CCNC(=O)c3ncccc3[O-])CC2)cc1	ZINC000732924198	920313590	/nfs/dbraw/zinc/31/35/90/920313590.db2.gz	PMTOHZMGPJULSB-UHFFFAOYSA-N	-1	1	356.426	1.348	20	10		FDCDMM
O=C1NCCc2c(F)c([N-]S(=O)(=O)c3cccc4nonc43)ccc21	ZINC000790075627	933335324	/nfs/dbraw/zinc/33/53/24/933335324.db2.gz	YVYYKQVBNUWBGR-UHFFFAOYSA-N	-1	1	362.342	1.449	20	10		FDCDMM
CN(C)c1noc(CNC(=O)NCc2cccc(Br)c2[O-])n1	ZINC000812219318	941188387	/nfs/dbraw/zinc/18/83/87/941188387.db2.gz	VIDCZJRNDLCDLQ-UHFFFAOYSA-N	-1	1	370.207	1.603	20	10		FDCDMM
CC(C)(C)n1nccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000856279687	971028741	/nfs/dbraw/zinc/02/87/41/971028741.db2.gz	FYDYTXFEYBJVGF-UHFFFAOYSA-N	-1	1	352.416	1.968	20	10		FDCDMM
CN(C[C@H](O)CNC(=O)OC(C)(C)C)C(=O)c1c(F)ccc(O)c1[O-]	ZINC000821019740	944299835	/nfs/dbraw/zinc/29/98/35/944299835.db2.gz	UGDMBYFOZOKNFG-SECBINFHSA-N	-1	1	358.366	1.195	20	10		FDCDMM
COc1c([O-])c(CN2CCCC[C@@H]2CS(C)(=O)=O)ccc1[N+](=O)[O-]	ZINC000824913608	946856438	/nfs/dbraw/zinc/85/64/38/946856438.db2.gz	CIEUXRJONDONHV-GFCCVEGCSA-N	-1	1	358.416	1.708	20	10		FDCDMM
COc1c([O-])c(CN2CCS(=O)(=O)[C@H]3CCC[C@H]32)ccc1[N+](=O)[O-]	ZINC000825202257	947034468	/nfs/dbraw/zinc/03/44/68/947034468.db2.gz	QHQXCVHFAQLRSH-YPMHNXCESA-N	-1	1	356.400	1.461	20	10		FDCDMM
O=C(NCc1cccc(Br)c1[O-])[C@@H]1CCc2nnnn2CC1	ZINC000846013514	950332821	/nfs/dbraw/zinc/33/28/21/950332821.db2.gz	CBHVLUKXSICWCP-SECBINFHSA-N	-1	1	366.219	1.410	20	10		FDCDMM
CC(=O)NCC[N@H+](Cc1ccc(Br)cc1[O-])[C@H](C)C(=O)[O-]	ZINC001588515188	958793436	/nfs/dbraw/zinc/79/34/36/958793436.db2.gz	XGUDHAMYXHKYNW-SECBINFHSA-N	-1	1	359.220	1.566	20	10		FDCDMM
CC(=O)NCC[N@@H+](Cc1ccc(Br)cc1[O-])[C@H](C)C(=O)[O-]	ZINC001588515188	958793454	/nfs/dbraw/zinc/79/34/54/958793454.db2.gz	XGUDHAMYXHKYNW-SECBINFHSA-N	-1	1	359.220	1.566	20	10		FDCDMM
CCN(C(=O)CN(C)Cc1cc2c(C)cc(=O)oc2cc1[O-])C1CN(C)C1	ZINC001184362194	963543172	/nfs/dbraw/zinc/54/31/72/963543172.db2.gz	WIOCKTSSBMQNOZ-UHFFFAOYSA-N	-1	1	373.453	1.401	20	10		FDCDMM
Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)N[C@@H](C)[C@@H]3CCCO3)cc12	ZINC001184363505	963543276	/nfs/dbraw/zinc/54/32/76/963543276.db2.gz	RDXGSODNCUYOHO-GUYCJALGSA-N	-1	1	374.437	1.923	20	10		FDCDMM
COC(=O)c1cc(F)cc(S(=O)(=O)[N-]Cc2ccccc2O)c1F	ZINC001187274904	965154947	/nfs/dbraw/zinc/15/49/47/965154947.db2.gz	MYSQBLNODAWBCD-UHFFFAOYSA-N	-1	1	357.334	1.936	20	10		FDCDMM
O=C(CNC(=O)c1cccc(=O)n1CC(F)(F)F)c1ccc([O-])c(O)c1	ZINC001198741937	973447989	/nfs/dbraw/zinc/44/79/89/973447989.db2.gz	OREJEFBYOGCGNG-UHFFFAOYSA-N	-1	1	370.283	1.435	20	10		FDCDMM
O=C(Cn1ccc(NCc2cc(Cl)cc(F)c2[O-])n1)N1CCOCC1	ZINC001201433321	975059680	/nfs/dbraw/zinc/05/96/80/975059680.db2.gz	ISVUTXIYQPVTTJ-UHFFFAOYSA-N	-1	1	368.796	1.852	20	10		FDCDMM
CC[S@](C)(=O)=NS(=O)(=O)[N-][C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000867496648	976253945	/nfs/dbraw/zinc/25/39/45/976253945.db2.gz	GJSYZNMPHMUSTQ-YTEVENLXSA-N	-1	1	361.489	1.226	20	10		FDCDMM
CCN1CCN(c2ccc(CNC(=O)NC[C@@H](C)C(=O)[O-])cc2F)CC1	ZINC000848578790	976907114	/nfs/dbraw/zinc/90/71/14/976907114.db2.gz	LSHIWORMOLJTFC-CYBMUJFWSA-N	-1	1	366.437	1.488	20	10		FDCDMM
CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1ccc(O)cc1C(=O)[O-]	ZINC000776435244	977654479	/nfs/dbraw/zinc/65/44/79/977654479.db2.gz	ZTRJABYUMZQYOX-UHFFFAOYSA-N	-1	1	369.351	1.833	20	10		FDCDMM
CN1CCN(c2ccc(CNC(=O)c3ccc([N+](=O)[O-])c([O-])c3)cc2)CC1	ZINC000881848930	980209264	/nfs/dbraw/zinc/20/92/64/980209264.db2.gz	FOTKBDJBWBJNNP-UHFFFAOYSA-N	-1	1	370.409	1.982	20	10		FDCDMM
COC(=O)CC[N@@H+](CC(=O)[O-])Cc1cc(C)cc(Br)c1[O-]	ZINC000883520313	982239144	/nfs/dbraw/zinc/23/91/44/982239144.db2.gz	XEUMUADZYNBEIC-UHFFFAOYSA-N	-1	1	360.204	1.913	20	10		FDCDMM
Cc1onc(CC(=O)NCCCSc2nccs2)c1-c1nnn[n-]1	ZINC000826347081	982432451	/nfs/dbraw/zinc/43/24/51/982432451.db2.gz	DTPXAFYDINGFHT-UHFFFAOYSA-N	-1	1	365.444	1.461	20	10		FDCDMM
Cc1onc(CC(=O)NCCCSc2nccs2)c1-c1nn[n-]n1	ZINC000826347081	982432454	/nfs/dbraw/zinc/43/24/54/982432454.db2.gz	DTPXAFYDINGFHT-UHFFFAOYSA-N	-1	1	365.444	1.461	20	10		FDCDMM
COc1ccc(N2CCN(C(=O)C(=O)c3ccc([O-])cc3)CC2)c(OC)c1	ZINC000870166371	985762711	/nfs/dbraw/zinc/76/27/11/985762711.db2.gz	YVQWPXWKLLNKMI-UHFFFAOYSA-N	-1	1	370.405	1.941	20	10		FDCDMM
C[C@@H]1CN(Cc2ccc(F)c(F)c2[O-])CCN1c1nccn2cnnc12	ZINC000876798847	992918253	/nfs/dbraw/zinc/91/82/53/992918253.db2.gz	QCSWKENEPCNKTJ-LLVKDONJSA-N	-1	1	360.368	1.819	20	10		FDCDMM
O=C(c1c(F)ccc(O)c1[O-])N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1	ZINC000825910594	992927619	/nfs/dbraw/zinc/92/76/19/992927619.db2.gz	XOIMQHGGVKKKGL-SECBINFHSA-N	-1	1	362.317	1.867	20	10		FDCDMM
CN1CCN(CC[N@H+](CC(=O)[O-])Cc2cc(Cl)c(F)cc2[O-])CC1	ZINC001598617323	993912733	/nfs/dbraw/zinc/91/27/33/993912733.db2.gz	RLGUKUSRFGCDSG-UHFFFAOYSA-N	-1	1	359.829	1.319	20	10		FDCDMM
CN1CCN(CC[N@@H+](CC(=O)[O-])Cc2cc(Cl)c(F)cc2[O-])CC1	ZINC001598617323	993912740	/nfs/dbraw/zinc/91/27/40/993912740.db2.gz	RLGUKUSRFGCDSG-UHFFFAOYSA-N	-1	1	359.829	1.319	20	10		FDCDMM
CN1CCN(c2ccc(CNC(=O)N3CCC[C@@](C)(C(=O)[O-])C3)cc2)CC1	ZINC001598622289	994022073	/nfs/dbraw/zinc/02/20/73/994022073.db2.gz	AJLBMFBSCCTDDO-HXUWFJFHSA-N	-1	1	374.485	1.835	20	10		FDCDMM
CN1CCN(c2ccc(CNC(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)[O-])cc2)CC1	ZINC000887313580	997151953	/nfs/dbraw/zinc/15/19/53/997151953.db2.gz	FETPBADBDLHYEX-JFRXWTBNSA-N	-1	1	369.465	1.578	20	10		FDCDMM
COCCN1C(=O)C(=CNc2ccc(C)c([N+](=O)[O-])c2)C(=O)[N-]C1=S	ZINC000060860990	522419790	/nfs/dbraw/zinc/41/97/90/522419790.db2.gz	LZWDUKSKLCGQIJ-FLIBITNWSA-N	-1	1	364.383	1.089	20	10		FDCDMM
O=C([O-])CSCC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	ZINC000819539587	597278391	/nfs/dbraw/zinc/27/83/91/597278391.db2.gz	AGBQBKHAUMJWMB-CYBMUJFWSA-N	-1	1	372.874	1.944	20	10		FDCDMM
Fc1cc(CNc2nccnc2-c2nnn[n-]2)ccc1N1CCOCC1	ZINC000737643135	598345660	/nfs/dbraw/zinc/34/56/60/598345660.db2.gz	BNGRUKLXDHXBHS-UHFFFAOYSA-N	-1	1	356.365	1.245	20	10		FDCDMM
Fc1cc(CNc2nccnc2-c2nn[n-]n2)ccc1N1CCOCC1	ZINC000737643135	598345662	/nfs/dbraw/zinc/34/56/62/598345662.db2.gz	BNGRUKLXDHXBHS-UHFFFAOYSA-N	-1	1	356.365	1.245	20	10		FDCDMM
O=C([O-])/C=C\c1ccc(N2CCN([C@@H]3CCC[C@H]3O)CC2)c([N+](=O)[O-])c1	ZINC000739623310	599959575	/nfs/dbraw/zinc/95/95/75/599959575.db2.gz	DMPSAUBCPWTARH-OZLAXVTRSA-N	-1	1	361.398	1.728	20	10		FDCDMM
Cc1nc([C@H]2CN(c3ccc(C=CC(=O)[O-])cc3[N+](=O)[O-])CCO2)n[nH]1	ZINC000832990810	601214021	/nfs/dbraw/zinc/21/40/21/601214021.db2.gz	IBEZLHVREYRGOA-PKXJPQMGSA-N	-1	1	359.342	1.697	20	10		FDCDMM
CN(C)c1ccc(CNC(=O)CN2CCC[C@@H](CN(C)C(=O)[O-])C2)cc1	ZINC000739634856	601851697	/nfs/dbraw/zinc/85/16/97/601851697.db2.gz	BIVFUHCPLCLKLP-INIZCTEOSA-N	-1	1	362.474	1.691	20	10		FDCDMM
CCN(C)c1ccc(Cn2cc(C(=O)OC)cc(-c3nn[n-]n3)c2=O)cc1	ZINC000821164526	606170376	/nfs/dbraw/zinc/17/03/76/606170376.db2.gz	GJVBZRTVRPDAIU-UHFFFAOYSA-N	-1	1	368.397	1.319	20	10		FDCDMM
COCCN1C[C@H](C(=O)NCc2cccc(Br)c2[O-])CC1=O	ZINC000277432079	674941426	/nfs/dbraw/zinc/94/14/26/674941426.db2.gz	DRUALCXZYSTGFZ-LLVKDONJSA-N	-1	1	371.231	1.266	20	10		FDCDMM
C[C@H](CN1CCOCC1)NC(=O)NCc1cccc(Br)c1[O-]	ZINC000278366745	675127615	/nfs/dbraw/zinc/12/76/15/675127615.db2.gz	MCUZOYNFUKVJQV-LLVKDONJSA-N	-1	1	372.263	1.675	20	10		FDCDMM
COCCCn1nc(C(=O)NCc2cccc(Cl)c2[O-])ccc1=O	ZINC000890761712	771617432	/nfs/dbraw/zinc/61/74/32/771617432.db2.gz	WAGRTLIUFBCLSG-UHFFFAOYSA-N	-1	1	351.790	1.569	20	10		FDCDMM
CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)NCc2cccc(Cl)c2[O-])O1	ZINC000894006423	809863631	/nfs/dbraw/zinc/86/36/31/809863631.db2.gz	UCJILFZYKVXICV-DGCLKSJQSA-N	-1	1	355.822	1.481	20	10		FDCDMM
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)C(=O)c1ccc([O-])cc1	ZINC000280838682	820373253	/nfs/dbraw/zinc/37/32/53/820373253.db2.gz	UPTNJZQOTLJHPK-UHFFFAOYSA-N	-1	1	372.396	1.992	20	10		FDCDMM
CN1CCN(c2ccc(CNC(=O)NC3CCC(C(=O)[O-])CC3)cc2)CC1	ZINC000898835218	845293961	/nfs/dbraw/zinc/29/39/61/845293961.db2.gz	LOOCBVGRUXNXCA-UHFFFAOYSA-N	-1	1	374.485	1.881	20	10		FDCDMM
CN(CC(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O)[C@H]1CCSC1	ZINC000911360873	858520952	/nfs/dbraw/zinc/52/09/52/858520952.db2.gz	ZUBCSOYGRJXROQ-ZDUSSCGKSA-N	-1	1	372.874	1.896	20	10		FDCDMM
CS(=O)(=O)c1ccccc1C(=O)OCC(=O)c1ccc([O-])c(O)c1	ZINC000916608901	881824674	/nfs/dbraw/zinc/82/46/74/881824674.db2.gz	VLPGCDOSGUTPQK-UHFFFAOYSA-N	-1	1	350.348	1.541	20	10		FDCDMM
CC(C)(C(=O)NCc1cccc(Br)c1[O-])S(C)(=O)=O	ZINC000765728699	908347803	/nfs/dbraw/zinc/34/78/03/908347803.db2.gz	KPULTARXLZYBOX-UHFFFAOYSA-N	-1	1	350.234	1.594	20	10		FDCDMM
CC(=O)N1CSC[C@@H]1C(=O)NCc1cccc(Br)c1[O-]	ZINC000765750854	908689661	/nfs/dbraw/zinc/68/96/61/908689661.db2.gz	MLJROMXWQIRKKE-LLVKDONJSA-N	-1	1	359.245	1.692	20	10		FDCDMM
O=C(CNC(=O)c1ccncc1)NCc1cccc(Br)c1[O-]	ZINC000765748597	908692846	/nfs/dbraw/zinc/69/28/46/908692846.db2.gz	XLGRDKPRRUSZAS-UHFFFAOYSA-N	-1	1	364.199	1.596	20	10		FDCDMM
Cc1ccnc2nc(C(=O)NCc3cccc(Br)c3[O-])nn21	ZINC000765758462	908986092	/nfs/dbraw/zinc/98/60/92/908986092.db2.gz	XJHVFQBZCCCYEA-UHFFFAOYSA-N	-1	1	362.187	1.831	20	10		FDCDMM
Cc1cc(O)ccc1[N-]S(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1	ZINC000740700973	925426374	/nfs/dbraw/zinc/42/63/74/925426374.db2.gz	PDDIHSDCQVLHSK-UHFFFAOYSA-N	-1	1	370.452	1.752	20	10		FDCDMM
CC(=O)N1CCN(c2ccc(CNC(=O)c3ncc(C)cc3[O-])cc2)CC1	ZINC000787320932	932261193	/nfs/dbraw/zinc/26/11/93/932261193.db2.gz	AVZILZXYPQNQCJ-UHFFFAOYSA-N	-1	1	368.437	1.694	20	10		FDCDMM
CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(S(=O)(=O)NC)cc1	ZINC000790416428	933527978	/nfs/dbraw/zinc/52/79/78/933527978.db2.gz	YKJZKXPASHUWQD-UHFFFAOYSA-N	-1	1	370.452	1.664	20	10		FDCDMM
O=C(CCn1cnccc1=O)NCc1cccc(Br)c1[O-]	ZINC000816496667	942225019	/nfs/dbraw/zinc/22/50/19/942225019.db2.gz	RHOFVEYKPSUAML-UHFFFAOYSA-N	-1	1	352.188	1.418	20	10		FDCDMM
COc1ccc(N2CCN(CCCNc3ncc(C(=O)[O-])cn3)CC2)cc1	ZINC000844206627	947875589	/nfs/dbraw/zinc/87/55/89/947875589.db2.gz	GXBFSRJFJMIYHF-UHFFFAOYSA-N	-1	1	371.441	1.808	20	10		FDCDMM
CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)c2cccc(O)c2O)n1	ZINC000846644391	951402663	/nfs/dbraw/zinc/40/26/63/951402663.db2.gz	WXTDCOKRIDFHTJ-NSHDSACASA-N	-1	1	362.386	1.910	20	10		FDCDMM
COc1ccc(CN[C@@H](C(=O)[O-])c2ccnn2C)cc1Cn1cccn1	ZINC001352081312	962626168	/nfs/dbraw/zinc/62/61/68/962626168.db2.gz	NASJCPLKJNXAIX-QGZVFWFLSA-N	-1	1	355.398	1.589	20	10		FDCDMM
O=C(Cn1cc(Br)cn1)NCC(=O)c1ccc([O-])c(O)c1	ZINC001176997168	963638911	/nfs/dbraw/zinc/63/89/11/963638911.db2.gz	UJIWCBHPLQXFMK-UHFFFAOYSA-N	-1	1	354.160	1.056	20	10		FDCDMM
O=C(CNS(=O)(=O)Cc1cc(F)cc(F)c1)c1ccc([O-])c(O)c1	ZINC001185169866	963841524	/nfs/dbraw/zinc/84/15/24/963841524.db2.gz	JHZHTWQWUAHEMD-UHFFFAOYSA-N	-1	1	357.334	1.678	20	10		FDCDMM
CCCCOC(=O)N[C@@H](C(=O)NCC(=O)c1ccc([O-])c(O)c1)C1CC1	ZINC001186299929	964425378	/nfs/dbraw/zinc/42/53/78/964425378.db2.gz	FDNNDWSNFAMSJM-MRXNPFEDSA-N	-1	1	364.398	1.702	20	10		FDCDMM
COc1cccc2c1OC[C@H](C(=O)NCC(=O)c1ccc([O-])c(O)c1)C2	ZINC001180401569	965279244	/nfs/dbraw/zinc/27/92/44/965279244.db2.gz	RBTNSBCNFVHCLY-CYBMUJFWSA-N	-1	1	357.362	1.657	20	10		FDCDMM
COc1cc(C(=O)NCC(=O)c2ccc([O-])c(O)c2)c(OC)nc1OC	ZINC001191305794	968416641	/nfs/dbraw/zinc/41/66/41/968416641.db2.gz	OCENHADFGJSEPM-UHFFFAOYSA-N	-1	1	362.338	1.131	20	10		FDCDMM
CS(=O)(=O)N1C[C@H]2CCCN(C(=O)c3ccc(O)c([O-])c3Cl)[C@H]2C1	ZINC001193225809	969594235	/nfs/dbraw/zinc/59/42/35/969594235.db2.gz	SFJWXTXUXRXRSJ-KOLCDFICSA-N	-1	1	374.846	1.247	20	10		FDCDMM
Cc1nn(C2CCOCC2)c(C)c1C(=O)NCC(=O)c1ccc([O-])c(O)c1	ZINC001198447283	973156926	/nfs/dbraw/zinc/15/69/26/973156926.db2.gz	VLBACIYPXWCFGL-UHFFFAOYSA-N	-1	1	373.409	1.875	20	10		FDCDMM
C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(N)cc2)C[C@@H]1[N-]C(=O)C(F)(F)F	ZINC000850867320	978703046	/nfs/dbraw/zinc/70/30/46/978703046.db2.gz	MHHFITUNDBQVGU-SKDRFNHKSA-N	-1	1	372.347	1.123	20	10		FDCDMM
COCC(COC)S(=O)(=O)NCc1cccc(Br)c1[O-]	ZINC000882132212	980439934	/nfs/dbraw/zinc/43/99/34/980439934.db2.gz	ULNBNTOTILXLOW-UHFFFAOYSA-N	-1	1	368.249	1.236	20	10		FDCDMM
COC[C@H](CS(=O)(=O)NCc1cccc(Br)c1[O-])OC	ZINC000882132162	980440039	/nfs/dbraw/zinc/44/00/39/980440039.db2.gz	SLDDBTGCKJHQQK-SNVBAGLBSA-N	-1	1	368.249	1.236	20	10		FDCDMM
COc1c([O-])c(CN2CCc3ncnc(N(C)C)c3C2)ccc1[N+](=O)[O-]	ZINC000365798092	988091508	/nfs/dbraw/zinc/09/15/08/988091508.db2.gz	UGQXRDUFAHHAJF-UHFFFAOYSA-N	-1	1	359.386	1.723	20	10		FDCDMM
CC(C)CN1CCO[C@H](CNC(=O)CSc2ncc(C(=O)[O-])s2)C1	ZINC001591366133	992374785	/nfs/dbraw/zinc/37/47/85/992374785.db2.gz	LNAXEQXCRYPGKT-LLVKDONJSA-N	-1	1	373.500	1.406	20	10		FDCDMM
COc1ccc(N2CCN(C(=O)CN[C@@](C)(CCF)C(=O)[O-])CC2)cc1	ZINC001599585697	993609887	/nfs/dbraw/zinc/60/98/87/993609887.db2.gz	WJHMVHBKKZTOKG-SFHVURJKSA-N	-1	1	367.421	1.136	20	10		FDCDMM
CN1CCN(c2ccc(CNC(=O)c3csc(C(=O)[O-])n3)cc2)CC1	ZINC001598624965	994072030	/nfs/dbraw/zinc/07/20/30/994072030.db2.gz	VHRJJMQZWOQQOU-UHFFFAOYSA-N	-1	1	360.439	1.523	20	10		FDCDMM
CC(=O)c1cc(Cl)cc(CN2CCO[C@@H](Cn3ccnn3)C2)c1[O-]	ZINC000878985187	994409276	/nfs/dbraw/zinc/40/92/76/994409276.db2.gz	GLDQSSAACYLJRM-CQSZACIVSA-N	-1	1	350.806	1.741	20	10		FDCDMM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2cnn(-c3ccccc3)n2)c1	ZINC000777530137	994748329	/nfs/dbraw/zinc/74/83/29/994748329.db2.gz	KXSJSBBQAJKYQV-UHFFFAOYSA-N	-1	1	373.394	1.597	20	10		FDCDMM
CSc1nc(C)c(CCC(=O)NCCc2ccc(O)c(O)c2)c(=O)[n-]1	ZINC000269246237	674108116	/nfs/dbraw/zinc/10/81/16/674108116.db2.gz	WLXNLSSLVMGGGZ-UHFFFAOYSA-N	-1	1	363.439	1.915	20	10		FDCDMM
COCCN1C(=O)C(=CNc2ccc([N+](=O)[O-])cc2C)C(=O)[N-]C1=S	ZINC000060861241	522421632	/nfs/dbraw/zinc/42/16/32/522421632.db2.gz	SRHNQERHYTYDGI-FLIBITNWSA-N	-1	1	364.383	1.089	20	10		FDCDMM
COC(=O)C=Cc1ccc(N2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)c([N+](=O)[O-])c1	ZINC000285774454	537270627	/nfs/dbraw/zinc/27/06/27/537270627.db2.gz	WICWZUKGWMWSQQ-HOSRBBHYSA-N	-1	1	373.369	1.576	20	10		FDCDMM
CC[C@@H](CNC=C1C(=O)[N-]C(=S)N(CCOC)C1=O)c1ccccc1	ZINC000299262658	537521618	/nfs/dbraw/zinc/52/16/18/537521618.db2.gz	LSNGIBGQSZZMNQ-FRRXJZEGSA-N	-1	1	361.467	1.543	20	10		FDCDMM
O=S(=O)([C@@H]1CCCN(Cc2cccc(Cl)c2[O-])C1)N1CCOCC1	ZINC000368019840	537973401	/nfs/dbraw/zinc/97/34/01/537973401.db2.gz	KTLYCBGLAWAOTH-CQSZACIVSA-N	-1	1	374.890	1.672	20	10		FDCDMM
OC1CCN(c2ccc(CNc3nccnc3-c3nnn[n-]3)cc2F)CC1	ZINC000738391443	598345977	/nfs/dbraw/zinc/34/59/77/598345977.db2.gz	XAQNCWVORGETQX-UHFFFAOYSA-N	-1	1	370.392	1.369	20	10		FDCDMM
OC1CCN(c2ccc(CNc3nccnc3-c3nn[n-]n3)cc2F)CC1	ZINC000738391443	598345979	/nfs/dbraw/zinc/34/59/79/598345979.db2.gz	XAQNCWVORGETQX-UHFFFAOYSA-N	-1	1	370.392	1.369	20	10		FDCDMM
C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)NCCCSc1nccs1	ZINC000833624887	605142973	/nfs/dbraw/zinc/14/29/73/605142973.db2.gz	LOYWQFUBXMMRML-GFCCVEGCSA-N	-1	1	372.516	1.816	20	10		FDCDMM
COCCc1ccnc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1	ZINC000286382020	675895270	/nfs/dbraw/zinc/89/52/70/675895270.db2.gz	SRFZEBVBFRMGSY-UHFFFAOYSA-N	-1	1	365.411	1.600	20	10		FDCDMM
CCS(=O)(=O)CCNC(=O)NCc1cccc(Br)c1[O-]	ZINC000277309812	674912844	/nfs/dbraw/zinc/91/28/44/674912844.db2.gz	CQKKQHSOBSPBFA-UHFFFAOYSA-N	-1	1	365.249	1.389	20	10		FDCDMM
Cc1nn(C)cc1S(=O)(=O)NCc1cccc(Br)c1[O-]	ZINC000287439611	675916753	/nfs/dbraw/zinc/91/67/53/675916753.db2.gz	QLPHBUVDLGBLIP-UHFFFAOYSA-N	-1	1	360.233	1.675	20	10		FDCDMM
O=C(CSCC(=O)N1CCOCC1)NCc1cccc(Cl)c1[O-]	ZINC000890756358	771573412	/nfs/dbraw/zinc/57/34/12/771573412.db2.gz	BRTMBKBVNRYXHE-UHFFFAOYSA-N	-1	1	358.847	1.254	20	10		FDCDMM
CC(C)[C@@H](C(=O)NCc1cccc(Cl)c1[O-])N1CCCS1(=O)=O	ZINC000890760671	771609327	/nfs/dbraw/zinc/60/93/27/771609327.db2.gz	VRNGPESSPYTGJA-ZDUSSCGKSA-N	-1	1	360.863	1.722	20	10		FDCDMM
O=C(NCc1cccc(Cl)c1[O-])[C@@H]1CNC(=O)C[C@H]1C(F)(F)F	ZINC000890763470	771651872	/nfs/dbraw/zinc/65/18/72/771651872.db2.gz	WVJDKXDTJUJOHK-RKDXNWHRSA-N	-1	1	350.724	1.976	20	10		FDCDMM
O=C(NC[C@H]1CN(Cc2ccccc2)CCO1)c1c(F)ccc(O)c1[O-]	ZINC000279104891	808359668	/nfs/dbraw/zinc/35/96/68/808359668.db2.gz	BDZVGCQDGRRJRS-AWEZNQCLSA-N	-1	1	360.385	1.868	20	10		FDCDMM
Cc1cc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])ccc1C(N)=O	ZINC000728977233	810885865	/nfs/dbraw/zinc/88/58/65/810885865.db2.gz	YVSFBCJMGVCPCO-UHFFFAOYSA-N	-1	1	363.395	1.423	20	10		FDCDMM
C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](C)c2cc(OC)ccc2O)o1	ZINC000728978049	810887877	/nfs/dbraw/zinc/88/78/77/810887877.db2.gz	LACIGQZKEFICRF-SECBINFHSA-N	-1	1	354.384	1.393	20	10		FDCDMM
C[C@H]1CCN(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)C[C@H]1C(=O)[O-]	ZINC000898861555	845345010	/nfs/dbraw/zinc/34/50/10/845345010.db2.gz	XIRCMBIKDWSAKY-MAUKXSAKSA-N	-1	1	374.485	1.691	20	10		FDCDMM
COC(=O)C1CCN(S(=O)(=O)NCc2cccc(Cl)c2[O-])CC1	ZINC000908327246	855338936	/nfs/dbraw/zinc/33/89/36/855338936.db2.gz	BZGZUOWDYITZIX-UHFFFAOYSA-N	-1	1	362.835	1.265	20	10		FDCDMM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(-n3ccnc3)nc2)c1	ZINC000919811921	886215294	/nfs/dbraw/zinc/21/52/94/886215294.db2.gz	ODFUJEMTYAHLNF-UHFFFAOYSA-N	-1	1	373.394	1.597	20	10		FDCDMM
NC(=O)c1cc(CNC(=O)NCc2cccc(Br)c2[O-])on1	ZINC000764801390	905701526	/nfs/dbraw/zinc/70/15/26/905701526.db2.gz	VLCUKSKAGWCTSX-UHFFFAOYSA-N	-1	1	369.175	1.241	20	10		FDCDMM
C[C@H]1CN(CCNC(=O)NCc2cccc(Br)c2[O-])CCO1	ZINC000765479433	907248748	/nfs/dbraw/zinc/24/87/48/907248748.db2.gz	NSZQVPCRONAACO-NSHDSACASA-N	-1	1	372.263	1.675	20	10		FDCDMM
CC1CCN(c2ccc(CNC(=O)CCn3cc[n-]c(=O)c3=O)cc2)CC1	ZINC000731053245	917674625	/nfs/dbraw/zinc/67/46/25/917674625.db2.gz	IZRSCKMASRSTRZ-UHFFFAOYSA-N	-1	1	370.453	1.479	20	10		FDCDMM
Cc1nc(CN2CCN(c3ccc(C=CC(=O)[O-])cc3[N+](=O)[O-])CC2)n[nH]1	ZINC000844209925	947877287	/nfs/dbraw/zinc/87/72/87/947877287.db2.gz	KXHFFMVOUPAFMM-HWKANZROSA-N	-1	1	372.385	1.441	20	10		FDCDMM
COc1ccc(F)c(S(=O)(=O)NCC(=O)c2ccc([O-])c(O)c2)c1	ZINC001196789031	971915484	/nfs/dbraw/zinc/91/54/84/971915484.db2.gz	MQNIQRGJWCCTSD-UHFFFAOYSA-N	-1	1	355.343	1.407	20	10		FDCDMM
CNS(=O)(=O)Cc1ccc(CNC(=O)c2c(F)ccc(O)c2[O-])cc1	ZINC001182190878	961537931	/nfs/dbraw/zinc/53/79/31/961537931.db2.gz	LZNVVIGQKMQMAY-UHFFFAOYSA-N	-1	1	368.386	1.216	20	10		FDCDMM
Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)N[C@@H]3CCOC[C@H]3C)cc12	ZINC001184361101	963541598	/nfs/dbraw/zinc/54/15/98/963541598.db2.gz	VOKZWMZZNBATME-CZUORRHYSA-N	-1	1	374.437	1.780	20	10		FDCDMM
Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)N(C)C3(C)COC3)cc12	ZINC001184358739	963542261	/nfs/dbraw/zinc/54/22/61/963542261.db2.gz	CEOHKNIHMIIKBC-UHFFFAOYSA-N	-1	1	360.410	1.486	20	10		FDCDMM
Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)N[C@H]3C[C@@H](O)C3(C)C)cc12	ZINC001184359809	963542330	/nfs/dbraw/zinc/54/23/30/963542330.db2.gz	LURKEFKTLTZXMN-DLBZAZTESA-N	-1	1	374.437	1.514	20	10		FDCDMM
COC(=O)C12CCC(C(=O)NCC(=O)c3ccc([O-])c(O)c3)(CC1)CC2	ZINC001179006014	964618829	/nfs/dbraw/zinc/61/88/29/964618829.db2.gz	JYUDJBRLNJSPBT-UHFFFAOYSA-N	-1	1	361.394	1.910	20	10		FDCDMM
O=C(Nc1n[n-]c(C2=S=CC=C2)n1)c1cc(=O)c2ccc(F)cc2o1	ZINC000796080536	1013687101	/nfs/dbraw/zinc/68/71/01/1013687101.db2.gz	OJSHTBJWSSJAIB-UHFFFAOYSA-N	-1	1	356.338	1.928	20	10		FDCDMM
O=C(Nc1nc(C2=S=CC=C2)n[n-]1)c1cc(=O)c2ccc(F)cc2o1	ZINC000796080536	1013687109	/nfs/dbraw/zinc/68/71/09/1013687109.db2.gz	OJSHTBJWSSJAIB-UHFFFAOYSA-N	-1	1	356.338	1.928	20	10		FDCDMM
O=C(N[C@@H]1CCN(C(=O)c2ccncc2)C1)c1ccc(O)c([O-])c1Cl	ZINC001193247053	969574432	/nfs/dbraw/zinc/57/44/32/969574432.db2.gz	JDOYPRQYIWGPHX-LLVKDONJSA-N	-1	1	361.785	1.791	20	10		FDCDMM
CC(=O)N1CCC[C@]2(C1)CN(C(=O)c1ccc(O)c([O-])c1Cl)CCO2	ZINC001193226085	969594724	/nfs/dbraw/zinc/59/47/24/969594724.db2.gz	XHGWAEOPAYXBEL-KRWDZBQOSA-N	-1	1	368.817	1.605	20	10		FDCDMM
C[C@H]1C[C@@H]1c1cc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])n[nH]1	ZINC000855003082	970091095	/nfs/dbraw/zinc/09/10/95/970091095.db2.gz	GCTHIGVOHGPXIJ-WPRPVWTQSA-N	-1	1	350.400	1.863	20	10		FDCDMM
O=C(CNC(=O)c1ccnc(OCC(F)(F)F)n1)c1ccc([O-])c(O)c1	ZINC001199190844	973961203	/nfs/dbraw/zinc/96/12/03/973961203.db2.gz	SWJOGORLBJWTFD-UHFFFAOYSA-N	-1	1	371.271	1.442	20	10		FDCDMM
CN1CCN(c2ccc(CNC(=O)N3CCC[C@@H]3CC(=O)[O-])cc2)CC1	ZINC001598622463	994024964	/nfs/dbraw/zinc/02/49/64/994024964.db2.gz	KLVCFWABBFBPOA-QGZVFWFLSA-N	-1	1	360.458	1.587	20	10		FDCDMM
CN1CCN(c2ccc(CNC(=O)Nc3ccc(C(=O)[O-])cn3)cc2)CC1	ZINC001598624587	994065718	/nfs/dbraw/zinc/06/57/18/994065718.db2.gz	OCDQABDEKXRMBS-UHFFFAOYSA-N	-1	1	369.425	1.853	20	10		FDCDMM
CN1C[C@@H](CCNC(=O)NCc2cccc(Br)c2[O-])CC1=O	ZINC000924748829	994969982	/nfs/dbraw/zinc/96/99/82/994969982.db2.gz	ZFKDZGBCYSEGDC-JTQLQIEISA-N	-1	1	370.247	1.822	20	10		FDCDMM
NS(=O)(=O)c1ccc([O-])c(NC(=O)/C=C/c2ccc(O)c(O)c2)c1	ZINC000779546022	1009960158	/nfs/dbraw/zinc/96/01/58/1009960158.db2.gz	ALJDBAXFEVRJSZ-QHHAFSJGSA-N	-1	1	350.352	1.103	20	10		FDCDMM
O=C(N1CCNCC1)N1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1	ZINC000530241210	539918416	/nfs/dbraw/zinc/91/84/16/539918416.db2.gz	DMIYUSGHMOOKLY-UHFFFAOYSA-N	-1	1	373.284	1.842	20	10		FDCDMM
CCCOc1ccccc1NC=C1C(=O)[N-]C(=S)N(CCOC)C1=O	ZINC000060864954	522421376	/nfs/dbraw/zinc/42/13/76/522421376.db2.gz	XDLMJHXUIZLJQF-QXMHVHEDSA-N	-1	1	363.439	1.661	20	10		FDCDMM
COCCN1C(=O)C(=CNc2ccccc2SC)C(=O)[N-]C1=S	ZINC000299255731	537515411	/nfs/dbraw/zinc/51/54/11/537515411.db2.gz	GUIASBTVAUMGJS-KTKRTIGZSA-N	-1	1	351.453	1.594	20	10		FDCDMM
CN(C)c1ccc(CN(C)C(=O)CN2CCC3(C[C@H]3C(=O)[O-])CC2)cc1	ZINC000737476237	600294381	/nfs/dbraw/zinc/29/43/81/600294381.db2.gz	HDHULAGDBYCMCD-KRWDZBQOSA-N	-1	1	359.470	1.898	20	10		FDCDMM
C[C@@H]1CN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC[C@H]1NC(=O)[O-]	ZINC000739170698	602766148	/nfs/dbraw/zinc/76/61/48/602766148.db2.gz	HGKXUOZZESKOOC-RHSMWYFYSA-N	-1	1	362.474	1.689	20	10		FDCDMM
O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	ZINC000833180104	604916105	/nfs/dbraw/zinc/91/61/05/604916105.db2.gz	YMEOZJVLVKOOTG-MGPQQGTHSA-N	-1	1	352.818	1.847	20	10		FDCDMM
Cn1cc(C=C2SC(=S)[N-]C2=O)c(-c2ccc(-c3nn[nH]n3)cc2)n1	ZINC000826359326	609303288	/nfs/dbraw/zinc/30/32/88/609303288.db2.gz	CKMLYGHMLRIXCI-WDZFZDKYSA-N	-1	1	369.435	1.756	20	10		FDCDMM
CC(C)N1CC[C@H](NC(=O)NCc2cccc(Br)c2[O-])C1=O	ZINC000277280969	674905822	/nfs/dbraw/zinc/90/58/22/674905822.db2.gz	AVSIYVUOMODWMI-LBPRGKRZSA-N	-1	1	370.247	1.963	20	10		FDCDMM
Cn1cc(CCNC(=O)NCc2cccc(Br)c2[O-])cn1	ZINC000277441728	674943651	/nfs/dbraw/zinc/94/36/51/674943651.db2.gz	MSHDSRLAMQVGFS-UHFFFAOYSA-N	-1	1	353.220	1.930	20	10		FDCDMM
C[C@@H](CN1CCCC1=O)NC(=O)NCc1cccc(Br)c1[O-]	ZINC000277485422	674952392	/nfs/dbraw/zinc/95/23/92/674952392.db2.gz	PZZQKSPFEXYSDD-JTQLQIEISA-N	-1	1	370.247	1.965	20	10		FDCDMM
C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)NCc1cccc(Br)c1[O-]	ZINC000277562866	674968347	/nfs/dbraw/zinc/96/83/47/674968347.db2.gz	POVWCYGNNOPGOY-PELKAZGASA-N	-1	1	371.231	1.047	20	10		FDCDMM
COc1c([O-])c(CN(C2CC2)[C@@H]2CCS(=O)(=O)C2)ccc1[N+](=O)[O-]	ZINC000278178707	675103326	/nfs/dbraw/zinc/10/33/26/675103326.db2.gz	GSHYYUPEQLSVSO-GFCCVEGCSA-N	-1	1	356.400	1.461	20	10		FDCDMM
CCS(=O)(=O)N1CCC[C@H](C(=O)NCc2cccc(Cl)c2[O-])C1	ZINC000890758024	771587254	/nfs/dbraw/zinc/58/72/54/771587254.db2.gz	PZEVHGRSYPXXES-LBPRGKRZSA-N	-1	1	360.863	1.724	20	10		FDCDMM
C[C@H](C(=O)NCc1cccc(Cl)c1[O-])S(=O)(=O)C1CCOCC1	ZINC000890759621	771604753	/nfs/dbraw/zinc/60/47/53/771604753.db2.gz	FIDBLYOBTXLWHN-SNVBAGLBSA-N	-1	1	361.847	1.644	20	10		FDCDMM
Cn1cc(N2C[C@H](C(=O)NCc3cccc(Cl)c3[O-])CCC2=O)cn1	ZINC000890762356	771634341	/nfs/dbraw/zinc/63/43/41/771634341.db2.gz	AALYZSIPDFHEIK-GFCCVEGCSA-N	-1	1	362.817	1.839	20	10		FDCDMM
[O-]c1c(Br)cc(Cl)cc1CN1C[C@H](CO)[C@H](CO)C1	ZINC000895462074	822611568	/nfs/dbraw/zinc/61/15/68/822611568.db2.gz	IFXRGDRAROICLB-AOOOYVTPSA-N	-1	1	350.640	1.841	20	10		FDCDMM
Cc1cc(Br)c([O-])c(CN2CC(O)(c3ncnn3C)C2)c1	ZINC000895618594	822675289	/nfs/dbraw/zinc/67/52/89/822675289.db2.gz	LUSHKLCUQPQYRL-UHFFFAOYSA-N	-1	1	353.220	1.295	20	10		FDCDMM
CN1CCN(c2ccc(CNC(=O)N3CCC[C@@H](CC(=O)[O-])C3)cc2)CC1	ZINC000898859762	845341590	/nfs/dbraw/zinc/34/15/90/845341590.db2.gz	IWZUNGKGEVCVKH-KRWDZBQOSA-N	-1	1	374.485	1.835	20	10		FDCDMM
O=C(CNC(=O)N1CCCC1)NCc1cccc(Br)c1[O-]	ZINC000907758050	854603299	/nfs/dbraw/zinc/60/32/99/854603299.db2.gz	LVJYWZPKZHACGJ-UHFFFAOYSA-N	-1	1	356.220	1.576	20	10		FDCDMM
COc1ccc(NC=C2C(=O)[N-]C(=S)N(CC(C)C)C2=O)c(OC)c1	ZINC000920977064	887362105	/nfs/dbraw/zinc/36/21/05/887362105.db2.gz	XDIHVLHSLGUBOS-XYOKQWHBSA-N	-1	1	363.439	1.899	20	10		FDCDMM
CCc1cc(NC(=O)C(=O)NCc2cccc(Br)c2[O-])no1	ZINC000765925727	898002470	/nfs/dbraw/zinc/00/24/70/898002470.db2.gz	KAYGSMNZZQDBCB-UHFFFAOYSA-N	-1	1	368.187	1.960	20	10		FDCDMM
O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCCSc1nccs1	ZINC000742296866	926005861	/nfs/dbraw/zinc/00/58/61/926005861.db2.gz	KUWWNRBQBQXLCQ-UHFFFAOYSA-N	-1	1	360.442	1.907	20	10		FDCDMM
Cc1cccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1C(N)=O	ZINC000769879900	929740466	/nfs/dbraw/zinc/74/04/66/929740466.db2.gz	BKYOILMBNPOGEY-UHFFFAOYSA-N	-1	1	363.395	1.423	20	10		FDCDMM
COc1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cc1CO	ZINC000770035539	929810732	/nfs/dbraw/zinc/81/07/32/929810732.db2.gz	OOJUFQSMKAUCEB-UHFFFAOYSA-N	-1	1	366.395	1.517	20	10		FDCDMM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2ccc3c(=O)cc[nH]c3c2)c1	ZINC000790064590	933353158	/nfs/dbraw/zinc/35/31/58/933353158.db2.gz	VLQWJXVZPFBYMW-UHFFFAOYSA-N	-1	1	373.390	1.858	20	10		FDCDMM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2C[C@H](O)Cc3ccccc32)c1	ZINC000790158722	933395088	/nfs/dbraw/zinc/39/50/88/933395088.db2.gz	WJRSCHNNNSVFNE-CYBMUJFWSA-N	-1	1	362.407	1.328	20	10		FDCDMM
COc1ccc(N2CC[C@H](CNC(=O)c3[nH]c(=O)[n-]c(=O)c3OC)C2)cc1	ZINC000819590059	943637207	/nfs/dbraw/zinc/63/72/07/943637207.db2.gz	WHIRACHMGMZYIR-LLVKDONJSA-N	-1	1	374.397	1.161	20	10		FDCDMM
CC1(C(=O)NCCC2=CCN(c3cncc(-c4nnn[n-]4)n3)CC2)CCC1	ZINC001575596609	950382160	/nfs/dbraw/zinc/38/21/60/950382160.db2.gz	UCQSFQOMLVTRDQ-UHFFFAOYSA-N	-1	1	368.445	1.490	20	10		FDCDMM
CC1(C(=O)NCCC2=CCN(c3cncc(-c4nn[n-]n4)n3)CC2)CCC1	ZINC001575596609	950382184	/nfs/dbraw/zinc/38/21/84/950382184.db2.gz	UCQSFQOMLVTRDQ-UHFFFAOYSA-N	-1	1	368.445	1.490	20	10		FDCDMM
CN(c1ccc(CNC(=O)c2c(F)ccc(O)c2[O-])cc1)S(C)(=O)=O	ZINC001182637321	962351551	/nfs/dbraw/zinc/35/15/51/962351551.db2.gz	MZMKZPZALPRPEY-UHFFFAOYSA-N	-1	1	368.386	1.563	20	10		FDCDMM
CC(=O)Nc1c[nH]nc1[C@H]1CCCN(C(=O)c2c(F)ccc(O)c2[O-])C1	ZINC001183165478	962896545	/nfs/dbraw/zinc/89/65/45/962896545.db2.gz	DXJFQQWEXFQLRE-JTQLQIEISA-N	-1	1	362.361	1.938	20	10		FDCDMM
Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)Nc3cn[nH]c(=O)c3)cc12	ZINC001184356156	963540125	/nfs/dbraw/zinc/54/01/25/963540125.db2.gz	AOQRUWIEWFAVNV-UHFFFAOYSA-N	-1	1	370.365	1.373	20	10		FDCDMM
COC1CC(CNC(=O)CN(C)Cc2cc3c(C)cc(=O)oc3cc2[O-])C1	ZINC001184359736	963541195	/nfs/dbraw/zinc/54/11/95/963541195.db2.gz	KKHGTOHBOFESTK-UHFFFAOYSA-N	-1	1	374.437	1.780	20	10		FDCDMM
CCCOCCNC(=O)CN(C)Cc1cc2c(C)cc(=O)oc2cc1[O-]	ZINC001184362786	963543572	/nfs/dbraw/zinc/54/35/72/963543572.db2.gz	VGOKVBNLYSQSIA-UHFFFAOYSA-N	-1	1	362.426	1.782	20	10		FDCDMM
NS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)c(Cl)c2)cc1	ZINC000776748651	968987458	/nfs/dbraw/zinc/98/74/58/968987458.db2.gz	ALWGUBQACNHTHN-UHFFFAOYSA-N	-1	1	362.816	1.494	20	10		FDCDMM
O=C(c1ccc(O)c([O-])c1Cl)N1CCN(C(=O)[C@H]2CCCO2)CC1	ZINC001193208906	969537159	/nfs/dbraw/zinc/53/71/59/969537159.db2.gz	AYLXKDXAIQBWPG-GFCCVEGCSA-N	-1	1	354.790	1.215	20	10		FDCDMM
O=C(CNC(=O)c1ncc(Br)s1)c1ccc([O-])c(O)c1	ZINC001195070351	970661539	/nfs/dbraw/zinc/66/15/39/970661539.db2.gz	FLMDROIHKRGJRT-UHFFFAOYSA-N	-1	1	357.185	1.930	20	10		FDCDMM
O=C(c1ccccc1)c1ccc([O-])c(C[N@@H+]2C[C@@H]3COC(=O)[C@@H]3C2)c1[O-]	ZINC000863338044	972825387	/nfs/dbraw/zinc/82/53/87/972825387.db2.gz	DMFVHOZNWDLHAN-UKRRQHHQSA-N	-1	1	353.374	1.934	20	10		FDCDMM
O=C(c1ccccc1)c1ccc([O-])c(C[N@H+]2C[C@@H]3COC(=O)[C@@H]3C2)c1[O-]	ZINC000863338044	972825398	/nfs/dbraw/zinc/82/53/98/972825398.db2.gz	DMFVHOZNWDLHAN-UKRRQHHQSA-N	-1	1	353.374	1.934	20	10		FDCDMM
CN(CCOCCNC(=O)c1c(F)ccc(O)c1[O-])C(=O)OC(C)(C)C	ZINC000863938852	973302132	/nfs/dbraw/zinc/30/21/32/973302132.db2.gz	KYCHXBUCTRVFNS-UHFFFAOYSA-N	-1	1	372.393	1.850	20	10		FDCDMM
COc1cccc(-n2cncc2C(=O)NCC(=O)c2ccc([O-])c(O)c2)c1	ZINC001199389988	974203533	/nfs/dbraw/zinc/20/35/33/974203533.db2.gz	QXISMLFYFCVIMT-UHFFFAOYSA-N	-1	1	367.361	1.905	20	10		FDCDMM
Cc1c(S(=O)(=O)Nc2ccc(O)cc2C(=O)[O-])cnn1-c1ccccn1	ZINC000776434850	977529032	/nfs/dbraw/zinc/52/90/32/977529032.db2.gz	OJUOQCJSBJNTPR-UHFFFAOYSA-N	-1	1	374.378	1.780	20	10		FDCDMM
C[C@@H]1CCN(C(=O)NCCc2ccc(N)cc2)C[C@@H]1[N-]C(=O)C(F)(F)F	ZINC000851664764	978989341	/nfs/dbraw/zinc/98/93/41/978989341.db2.gz	KDPTWCNFVVMDDF-RISCZKNCSA-N	-1	1	372.391	1.910	20	10		FDCDMM
CN1CCN(c2ccc(CNC(=O)c3ccc([O-])c([N+](=O)[O-])c3)cc2)CC1	ZINC000881851811	980214073	/nfs/dbraw/zinc/21/40/73/980214073.db2.gz	BAKSMLLABYASNU-UHFFFAOYSA-N	-1	1	370.409	1.982	20	10		FDCDMM
CON(C)C(=O)[C@@H](C)NC(=O)NCc1cccc(Br)c1[O-]	ZINC000858994075	982442236	/nfs/dbraw/zinc/44/22/36/982442236.db2.gz	ZFFLDHMBTUEINL-MRVPVSSYSA-N	-1	1	360.208	1.362	20	10		FDCDMM
CNC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccc([N+](=O)[O-])c(OC)c1[O-]	ZINC000365803548	988097463	/nfs/dbraw/zinc/09/74/63/988097463.db2.gz	BURLUERIPIGFTO-INIZCTEOSA-N	-1	1	371.393	1.982	20	10		FDCDMM
CC(C)CN1CCO[C@@H](CNC(=O)CSc2ncc(C(=O)[O-])s2)C1	ZINC001591366134	992374743	/nfs/dbraw/zinc/37/47/43/992374743.db2.gz	LNAXEQXCRYPGKT-NSHDSACASA-N	-1	1	373.500	1.406	20	10		FDCDMM
O=S(=O)(NC[C@H]1CCCN(Cc2ccc(F)c(F)c2[O-])C1)C1CC1	ZINC000877534341	993324491	/nfs/dbraw/zinc/32/44/91/993324491.db2.gz	GFDPORCKQKQIGU-LLVKDONJSA-N	-1	1	360.426	1.964	20	10		FDCDMM
COc1ccc(N2CCN(CCCNc3ccnc(C(=O)[O-])n3)CC2)cc1	ZINC001599585771	993610868	/nfs/dbraw/zinc/61/08/68/993610868.db2.gz	XPTBGKAWVRQVCK-UHFFFAOYSA-N	-1	1	371.441	1.230	20	10		FDCDMM
CC(=O)c1cc(Cl)cc(CN2CCO[C@H](Cn3ccnn3)C2)c1[O-]	ZINC000878985186	994408498	/nfs/dbraw/zinc/40/84/98/994408498.db2.gz	GLDQSSAACYLJRM-AWEZNQCLSA-N	-1	1	350.806	1.741	20	10		FDCDMM
CN1C(=O)C2(CCOCC2)N[C@H]1c1cc(O)cc(Br)c1[O-]	ZINC000887335960	997174092	/nfs/dbraw/zinc/17/40/92/997174092.db2.gz	RCYOQEGKCRQLLM-GFCCVEGCSA-N	-1	1	357.204	1.470	20	10		FDCDMM
COc1c([O-])c(CN([C@H](C)CS(C)(=O)=O)C2CC2)ccc1[N+](=O)[O-]	ZINC000278314534	537296718	/nfs/dbraw/zinc/29/67/18/537296718.db2.gz	XDWIIFKLRXHYBR-SNVBAGLBSA-N	-1	1	358.416	1.707	20	10		FDCDMM
O=C([O-])CSCC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	ZINC000819539588	597278156	/nfs/dbraw/zinc/27/81/56/597278156.db2.gz	AGBQBKHAUMJWMB-ZDUSSCGKSA-N	-1	1	372.874	1.944	20	10		FDCDMM
CC(=O)NCC[N@@H+](Cc1cc(C)cc(Br)c1[O-])[C@H](C)C(=O)[O-]	ZINC000819770469	597712055	/nfs/dbraw/zinc/71/20/55/597712055.db2.gz	UPACXSQGXJBTTJ-SNVBAGLBSA-N	-1	1	373.247	1.874	20	10		FDCDMM
C[C@H](NC(=O)[O-])[C@@H]1CCCN(CC(=O)NCc2ccc(N(C)C)cc2)C1	ZINC000825267571	604257694	/nfs/dbraw/zinc/25/76/94/604257694.db2.gz	ZGBOCXXLWFGWGQ-GOEBONIOSA-N	-1	1	362.474	1.737	20	10		FDCDMM
Fc1cc(CNc2ccc(-c3nnn[n-]3)nn2)ccc1N1CCOCC1	ZINC000826372258	608402149	/nfs/dbraw/zinc/40/21/49/608402149.db2.gz	OROUOQSUGOZQBQ-UHFFFAOYSA-N	-1	1	356.365	1.245	20	10		FDCDMM
Fc1cc(CNc2ccc(-c3nn[n-]n3)nn2)ccc1N1CCOCC1	ZINC000826372258	608402151	/nfs/dbraw/zinc/40/21/51/608402151.db2.gz	OROUOQSUGOZQBQ-UHFFFAOYSA-N	-1	1	356.365	1.245	20	10		FDCDMM
CCN(C1CCN(C(=O)c2c(F)ccc(O)c2[O-])CC1)S(C)(=O)=O	ZINC000276580903	674736411	/nfs/dbraw/zinc/73/64/11/674736411.db2.gz	LNBIXPIORRXMRB-UHFFFAOYSA-N	-1	1	360.407	1.123	20	10		FDCDMM
CC(C)(C)S(=O)(=O)CC(=O)NCc1cccc(Br)c1[O-]	ZINC000277574128	674970302	/nfs/dbraw/zinc/97/03/02/674970302.db2.gz	QVAIBFYIRZQOKO-UHFFFAOYSA-N	-1	1	364.261	1.984	20	10		FDCDMM
CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NCCc2ccc(N)cc2)o1	ZINC000236677915	672417715	/nfs/dbraw/zinc/41/77/15/672417715.db2.gz	SVIPQYROTWDGPM-UHFFFAOYSA-N	-1	1	365.455	1.911	20	10		FDCDMM
COCCN1C(=O)C(=CN[C@H](C)CCc2ccccc2)C(=O)[N-]C1=S	ZINC000299274886	676524600	/nfs/dbraw/zinc/52/46/00/676524600.db2.gz	XPLXGBBMXUJXBN-MLJWKTOOSA-N	-1	1	361.467	1.371	20	10		FDCDMM
COc1c([O-])c(CN2CCOC[C@@H]2c2noc(C)n2)ccc1[N+](=O)[O-]	ZINC000365810531	677384077	/nfs/dbraw/zinc/38/40/77/677384077.db2.gz	BAQHOPZTGOWJBG-GFCCVEGCSA-N	-1	1	350.331	1.574	20	10		FDCDMM
CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)NCc1cccc(Cl)c1[O-]	ZINC000890759759	771604147	/nfs/dbraw/zinc/60/41/47/771604147.db2.gz	QMHLVRCWMZWQHV-CYBMUJFWSA-N	-1	1	360.863	1.768	20	10		FDCDMM
COCCO[C@H]1COCC[C@H]1NC(=O)NCc1cccc(Cl)c1[O-]	ZINC000894301494	815759406	/nfs/dbraw/zinc/75/94/06/815759406.db2.gz	NILMSYVDZFCUJF-KGLIPLIRSA-N	-1	1	358.822	1.665	20	10		FDCDMM
CS(=O)(=O)N=S1(=O)CCN(Cc2c([O-])cccc2Cl)CC1	ZINC000894824727	818560347	/nfs/dbraw/zinc/56/03/47/818560347.db2.gz	OYQWSNANFNWDLA-UHFFFAOYSA-N	-1	1	352.865	1.289	20	10		FDCDMM
CCCCC(=O)N1CSC[C@@H]1C(=O)OCC(=O)c1ccc([O-])c(O)c1	ZINC000783522490	822588757	/nfs/dbraw/zinc/58/87/57/822588757.db2.gz	MGUZPDQJWMDRLD-GFCCVEGCSA-N	-1	1	367.423	1.915	20	10		FDCDMM
C[C@@H]1CCN(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)C[C@@H]1C(=O)[O-]	ZINC000898861557	845345078	/nfs/dbraw/zinc/34/50/78/845345078.db2.gz	XIRCMBIKDWSAKY-QAPCUYQASA-N	-1	1	374.485	1.691	20	10		FDCDMM
O=C([O-])[C@H]1CCC[N@H+](CC(=O)NCc2cc(Br)ccc2O)C1	ZINC000911554709	858757253	/nfs/dbraw/zinc/75/72/53/858757253.db2.gz	CUGUEZPJFRPDLT-JTQLQIEISA-N	-1	1	371.231	1.568	20	10		FDCDMM
O=C([O-])[C@H]1CCCN(CC(=O)NCc2cc(Br)ccc2O)C1	ZINC000911554709	858757258	/nfs/dbraw/zinc/75/72/58/858757258.db2.gz	CUGUEZPJFRPDLT-JTQLQIEISA-N	-1	1	371.231	1.568	20	10		FDCDMM
Cn1nccc1NC(=O)C(=O)NCc1cccc(Br)c1[O-]	ZINC000765925485	898004389	/nfs/dbraw/zinc/00/43/89/898004389.db2.gz	GLCYAEDOPLRDPA-UHFFFAOYSA-N	-1	1	353.176	1.143	20	10		FDCDMM
O=C(NCc1cccc(Br)c1[O-])[C@@H]1CC(=O)N(C2CC2)C1	ZINC000765754237	908723504	/nfs/dbraw/zinc/72/35/04/908723504.db2.gz	SYTSQDNTGNXJBN-SNVBAGLBSA-N	-1	1	353.216	1.782	20	10		FDCDMM
COCCN1C(=O)C(=CNc2ccc(-c3c[nH]cn3)cc2)C(=O)[N-]C1=S	ZINC000730971158	917541747	/nfs/dbraw/zinc/54/17/47/917541747.db2.gz	NULRIIHOAQAPCO-MDWZMJQESA-N	-1	1	371.422	1.262	20	10		FDCDMM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2ccc3c(c2)CC(=O)N3)c1	ZINC000733806731	922037716	/nfs/dbraw/zinc/03/77/16/922037716.db2.gz	KLQXBXYARPVYIZ-UHFFFAOYSA-N	-1	1	361.379	1.511	20	10		FDCDMM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(-c3nc[nH]n3)cc2)c1	ZINC000735519591	924384218	/nfs/dbraw/zinc/38/42/18/924384218.db2.gz	FKFLADFQRFFXJT-UHFFFAOYSA-N	-1	1	373.394	1.801	20	10		FDCDMM
Cn1cc(-c2noc(-c3cc(NS(C)(=O)=O)ccc3[O-])n2)ccc1=O	ZINC000771471789	930683930	/nfs/dbraw/zinc/68/39/30/930683930.db2.gz	GBQQEMBKSCYKDY-UHFFFAOYSA-N	-1	1	362.367	1.179	20	10		FDCDMM
O=C(Cn1ccc(NCc2c([O-])ccc(Cl)c2F)n1)N1CCOCC1	ZINC000790977254	933823859	/nfs/dbraw/zinc/82/38/59/933823859.db2.gz	SSOJLBWVLYJGNE-UHFFFAOYSA-N	-1	1	368.796	1.852	20	10		FDCDMM
CC(C)CN1C(=O)C(=CNN=c2ccc3ccccc3[nH]2)C(=O)[N-]C1=S	ZINC000814317715	941611105	/nfs/dbraw/zinc/61/11/05/941611105.db2.gz	NZGTVFIFJZCEHP-UKTHLTGXSA-N	-1	1	369.450	1.935	20	10		FDCDMM
COc1c([O-])c(CN2CCS(=O)(=O)[C@@H]3CCC[C@H]32)ccc1[N+](=O)[O-]	ZINC000825202251	947034021	/nfs/dbraw/zinc/03/40/21/947034021.db2.gz	QHQXCVHFAQLRSH-DGCLKSJQSA-N	-1	1	356.400	1.461	20	10		FDCDMM
O=C([O-])[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)C1=CC(=O)CS1	ZINC001594891947	954539526	/nfs/dbraw/zinc/53/95/26/954539526.db2.gz	ZPQNQMJCGBOROI-CBAPKCEASA-N	-1	1	366.317	1.190	20	10		FDCDMM
COC(=O)C1CC2(C1)C[N@@H+](Cc1cc(F)c(F)cc1[O-])C[C@H]2C(=O)[O-]	ZINC001593825049	955092237	/nfs/dbraw/zinc/09/22/37/955092237.db2.gz	WOLLHDCQIRMPKT-GCULGPDHSA-N	-1	1	355.337	1.756	20	10		FDCDMM
COC(=O)c1cc(S(=O)(=O)Nc2c(F)cc([O-])cc2F)ccc1O	ZINC001197245269	972171985	/nfs/dbraw/zinc/17/19/85/972171985.db2.gz	QSOPIUMMKQMKQO-UHFFFAOYSA-N	-1	1	359.306	1.963	20	10		FDCDMM
COc1ccc(CC(=O)NCC(=O)c2ccc([O-])c(O)c2)c(F)c1OC	ZINC001181291978	960735779	/nfs/dbraw/zinc/73/57/79/960735779.db2.gz	OBXPHXRQFAFCNY-UHFFFAOYSA-N	-1	1	363.341	1.796	20	10		FDCDMM
Cc1cccc(N2CC[C@@H](C(=O)NCC(=O)c3ccc([O-])c(O)c3)C2=O)c1	ZINC001184635174	963674011	/nfs/dbraw/zinc/67/40/11/963674011.db2.gz	CGHBSWSIQMXTPR-HNNXBMFYSA-N	-1	1	368.389	1.758	20	10		FDCDMM
COc1ccc(N2CC[C@@H](NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)C2)cc1	ZINC000855224609	970223057	/nfs/dbraw/zinc/22/30/57/970223057.db2.gz	GJOYCHWVPPRGNE-GFCCVEGCSA-N	-1	1	358.354	1.713	20	10		FDCDMM
O=C(CNC(=O)c1cc(OCC2CCC2)ncn1)c1ccc([O-])c(O)c1	ZINC001198822974	973574106	/nfs/dbraw/zinc/57/41/06/973574106.db2.gz	WJOBDFPXYVFGFH-UHFFFAOYSA-N	-1	1	357.366	1.679	20	10		FDCDMM
C[C@@H]1CN(c2ccc(CNC(=O)CCc3nn[n-]n3)cc2F)C[C@@H](C)O1	ZINC000864931912	973955217	/nfs/dbraw/zinc/95/52/17/973955217.db2.gz	PRZBCKMKRUFTAE-VXGBXAGGSA-N	-1	1	362.409	1.201	20	10		FDCDMM
Cc1cn2c(ncc(C(=O)NCC(=O)c3ccc([O-])c(O)c3)c2=O)s1	ZINC001201224959	974988768	/nfs/dbraw/zinc/98/87/68/974988768.db2.gz	LNVZQPFVPGGZRO-UHFFFAOYSA-N	-1	1	359.363	1.088	20	10		FDCDMM
COC(=O)c1c(C)cccc1S(=O)(=O)Nc1ccc(O)cc1C(=O)[O-]	ZINC000776434956	977544891	/nfs/dbraw/zinc/54/48/91/977544891.db2.gz	SOCOFOJRKSIYEP-UHFFFAOYSA-N	-1	1	365.363	1.986	20	10		FDCDMM
C[C@@H](NC(=O)NCc1nc2c(c(=O)[n-]1)COCC2)c1ccc(N(C)C)cc1	ZINC000868514845	977731065	/nfs/dbraw/zinc/73/10/65/977731065.db2.gz	FEEGLTYYYYDTAV-GFCCVEGCSA-N	-1	1	371.441	1.881	20	10		FDCDMM
O=C([O-])c1cc(O)ccc1NS(=O)(=O)c1cccc2c1OCCO2	ZINC000776434731	978748890	/nfs/dbraw/zinc/74/88/90/978748890.db2.gz	LWXFPJFSHJYXEK-UHFFFAOYSA-N	-1	1	351.336	1.662	20	10		FDCDMM
COC(=O)[C@H]1C[N@@H+](Cc2cc(C)cc(Br)c2[O-])C[C@@H]1C(=O)[O-]	ZINC001598829087	996416850	/nfs/dbraw/zinc/41/68/50/996416850.db2.gz	RMZYWEXLCNUCPT-QWRGUYRKSA-N	-1	1	372.215	1.769	20	10		FDCDMM
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1ncccc1[O-]	ZINC000779048873	1007224402	/nfs/dbraw/zinc/22/44/02/1007224402.db2.gz	DSEFOZSBGLXUOL-UHFFFAOYSA-N	-1	1	350.758	1.962	20	10		FDCDMM
COC(=O)c1cc(O)ccc1NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000779459430	1009584350	/nfs/dbraw/zinc/58/43/50/1009584350.db2.gz	ACOWEYAJWPDYCU-UHFFFAOYSA-N	-1	1	368.323	1.593	20	10		FDCDMM
COC(=O)c1cc(O)ccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1C	ZINC000779460258	1009584471	/nfs/dbraw/zinc/58/44/71/1009584471.db2.gz	MLOGPOCIOPIODJ-UHFFFAOYSA-N	-1	1	365.363	1.986	20	10		FDCDMM
CCC[C@@H](NC=C1C(=O)[N-]C(=S)N(CCOC)C1=O)c1ccccc1	ZINC000299269983	537526444	/nfs/dbraw/zinc/52/64/44/537526444.db2.gz	SBYFHKBDZOIRQI-IKESIWSLSA-N	-1	1	361.467	1.891	20	10		FDCDMM
C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)c1c(F)ccc(O)c1[O-]	ZINC000276614010	537593132	/nfs/dbraw/zinc/59/31/32/537593132.db2.gz	PZVSPZFJXOCWML-CYBMUJFWSA-N	-1	1	374.416	1.572	20	10		FDCDMM
O=C(c1c([O-])c(O)ccc1F)N1CCS(=O)(=O)C2(CCCCC2)C1	ZINC000295133190	537710776	/nfs/dbraw/zinc/71/07/76/537710776.db2.gz	NTMBSBOCARKXCH-UHFFFAOYSA-N	-1	1	357.403	1.810	20	10		FDCDMM
CC(=O)NC[C@H]1CN(Cc2c(O)c(C(=O)[O-])cc3ccccc32)CCO1	ZINC000736148948	600396157	/nfs/dbraw/zinc/39/61/57/600396157.db2.gz	VLVKAEKDSZMLFR-AWEZNQCLSA-N	-1	1	358.394	1.581	20	10		FDCDMM
Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2c(O)ccc3c2CCCC3)n1	ZINC000822620542	606166581	/nfs/dbraw/zinc/16/65/81/606166581.db2.gz	WAMJRNYIGNWZPM-UHFFFAOYSA-N	-1	1	368.401	1.506	20	10		FDCDMM
Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2c(O)ccc3c2CCCC3)n1	ZINC000822620542	606166582	/nfs/dbraw/zinc/16/65/82/606166582.db2.gz	WAMJRNYIGNWZPM-UHFFFAOYSA-N	-1	1	368.401	1.506	20	10		FDCDMM
Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2ccc3c(c2)CCCN3C)n1	ZINC000821625724	606168217	/nfs/dbraw/zinc/16/82/17/606168217.db2.gz	USRASQSIMDWWIG-UHFFFAOYSA-N	-1	1	367.417	1.304	20	10		FDCDMM
Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2ccc3c(c2)CCCN3C)n1	ZINC000821625724	606168218	/nfs/dbraw/zinc/16/82/18/606168218.db2.gz	USRASQSIMDWWIG-UHFFFAOYSA-N	-1	1	367.417	1.304	20	10		FDCDMM
O=C1Nc2cc(Cl)c([N+](=O)[O-])cc2C1=CC1=S=CC(c2nn[n-]n2)=C1	ZINC000823547908	606306979	/nfs/dbraw/zinc/30/69/79/606306979.db2.gz	QGNDUWHACJAHDC-XNWCZRBMSA-N	-1	1	374.769	1.902	20	10		FDCDMM
CN(C)c1ccc(CN(C)c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1	ZINC000821589488	607162655	/nfs/dbraw/zinc/16/26/55/607162655.db2.gz	PNKSRKVCVWVDJI-UHFFFAOYSA-N	-1	1	354.374	1.872	20	10		FDCDMM
CN(C)c1ccc(CN(C)c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1	ZINC000821589488	607162657	/nfs/dbraw/zinc/16/26/57/607162657.db2.gz	PNKSRKVCVWVDJI-UHFFFAOYSA-N	-1	1	354.374	1.872	20	10		FDCDMM
CNc1nnc(CC(=O)NCc2cccc(Br)c2[O-])s1	ZINC000277593785	674974459	/nfs/dbraw/zinc/97/44/59/674974459.db2.gz	SSEBIJKJPDIGIN-UHFFFAOYSA-N	-1	1	357.233	1.907	20	10		FDCDMM
O=C(NCc1cccc(Br)c1[O-])N[C@@H]1CCS(=O)(=O)C1	ZINC000277727530	675020446	/nfs/dbraw/zinc/02/04/46/675020446.db2.gz	KULCFPPYIVHZHJ-SECBINFHSA-N	-1	1	363.233	1.141	20	10		FDCDMM
COCCO[C@H]1C[C@H](CO)CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1	ZINC000278709575	675183762	/nfs/dbraw/zinc/18/37/62/675183762.db2.gz	OLLMKQSEPYXROB-FZMZJTMJSA-N	-1	1	374.821	1.800	20	10		FDCDMM
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(S(=O)(=O)[N-]C)o1	ZINC000298443941	676463481	/nfs/dbraw/zinc/46/34/81/676463481.db2.gz	RZMNNHFTKJXSGK-UHFFFAOYSA-N	-1	1	365.455	1.916	20	10		FDCDMM
CNC(=O)CN1CCCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])CC1	ZINC000370206400	677552453	/nfs/dbraw/zinc/55/24/53/677552453.db2.gz	NBDUQMYHJJNNDQ-UHFFFAOYSA-N	-1	1	353.850	1.502	20	10		FDCDMM
CN(C)c1ccc([C@@H](CNS(=O)(=O)[C@@H]2CC[C@@H]2C(=O)[O-])N(C)C)cc1	ZINC001465116611	804164716	/nfs/dbraw/zinc/16/47/16/804164716.db2.gz	RGHZGUUNPGFAAK-ARFHVFGLSA-N	-1	1	369.487	1.138	20	10		FDCDMM
Cc1cc(Br)c([O-])c(CN2CC(C3CS(=O)(=O)C3)C2)c1	ZINC000895426798	822592856	/nfs/dbraw/zinc/59/28/56/822592856.db2.gz	BJUIWDXDHWZGBN-UHFFFAOYSA-N	-1	1	360.273	1.940	20	10		FDCDMM
CC[C@H](C(=O)[O-])C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1	ZINC000911352574	858504454	/nfs/dbraw/zinc/50/44/54/858504454.db2.gz	NTQPNKGRZDRBAF-AWEZNQCLSA-N	-1	1	351.422	1.695	20	10		FDCDMM
CS(=O)(=O)Nc1ccc([O-])c(-c2nc(-c3cccc(C(N)=O)c3)no2)c1	ZINC000761659741	873864499	/nfs/dbraw/zinc/86/44/99/873864499.db2.gz	GJNSPUGQUPUOFL-UHFFFAOYSA-N	-1	1	374.378	1.580	20	10		FDCDMM
CO[C@]1(CNC(=O)NCc2cccc(Br)c2[O-])CCOC1	ZINC000764806851	905732196	/nfs/dbraw/zinc/73/21/96/905732196.db2.gz	RXWSCAQPYFZUDE-AWEZNQCLSA-N	-1	1	359.220	1.759	20	10		FDCDMM
COc1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c(OC)n1	ZINC000769725725	929638109	/nfs/dbraw/zinc/63/81/09/929638109.db2.gz	VIVBEOUXFKYQAG-UHFFFAOYSA-N	-1	1	367.383	1.428	20	10		FDCDMM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(OCCO)cc2)c1	ZINC000770035358	929810654	/nfs/dbraw/zinc/81/06/54/929810654.db2.gz	YAVMPBNSDOWFJM-UHFFFAOYSA-N	-1	1	366.395	1.387	20	10		FDCDMM
O=C(NCCCS(=O)(=O)Cc1ccccc1)c1c([O-])c(O)ccc1F	ZINC000789956897	933268362	/nfs/dbraw/zinc/26/83/62/933268362.db2.gz	JJZKKFAOHCVYDB-UHFFFAOYSA-N	-1	1	367.398	1.972	20	10		FDCDMM
CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2nc(Cl)ccc2[O-])c1	ZINC000790063101	933353595	/nfs/dbraw/zinc/35/35/95/933353595.db2.gz	OLAHUVGZKKXMFY-UHFFFAOYSA-N	-1	1	357.775	1.770	20	10		FDCDMM
Cc1cc(C(=O)COC(=O)c2cn[n-]n2)c(C)n1-c1ccc2c(c1)OCO2	ZINC000805607777	938801628	/nfs/dbraw/zinc/80/16/28/938801628.db2.gz	PXOWDFBUBYHZOC-UHFFFAOYSA-N	-1	1	368.349	1.981	20	10		FDCDMM
COC[C@@H](C)CS(=O)(=O)NCc1cccc(Br)c1[O-]	ZINC000809839177	940904887	/nfs/dbraw/zinc/90/48/87/940904887.db2.gz	KKMKPLBGPUMNOH-SECBINFHSA-N	-1	1	352.250	1.857	20	10		FDCDMM
O=C(Cn1ccc2sccc2c1=O)NCC(=O)c1ccc([O-])c(O)c1	ZINC001175698819	963255666	/nfs/dbraw/zinc/25/56/66/963255666.db2.gz	OANGVZMTOOCLOX-UHFFFAOYSA-N	-1	1	358.375	1.473	20	10		FDCDMM
O=C(CNC(=O)[C@H](O)Cc1c[nH]c2ccccc12)c1ccc([O-])c(O)c1	ZINC001184303983	963525906	/nfs/dbraw/zinc/52/59/06/963525906.db2.gz	KBYLUJHWXNGEJB-QGZVFWFLSA-N	-1	1	354.362	1.482	20	10		FDCDMM
CO[C@@H](C)C1CN(C(=O)CN(C)Cc2cc3c(C)cc(=O)oc3cc2[O-])C1	ZINC001184359879	963542232	/nfs/dbraw/zinc/54/22/32/963542232.db2.gz	BUWLLNIVXIEZND-ZDUSSCGKSA-N	-1	1	374.437	1.732	20	10		FDCDMM
Cc1nn(CC(=O)NCC(=O)c2ccc([O-])c(O)c2)cc1Br	ZINC001177020681	963648148	/nfs/dbraw/zinc/64/81/48/963648148.db2.gz	PAVAZQZHRJBUSK-UHFFFAOYSA-N	-1	1	368.187	1.364	20	10		FDCDMM
O=C(CNC(=O)C1(Cc2ccccn2)CCOCC1)c1ccc([O-])c(O)c1	ZINC001178156373	964119142	/nfs/dbraw/zinc/11/91/42/964119142.db2.gz	UHUSSOLBCKARTJ-UHFFFAOYSA-N	-1	1	370.405	1.831	20	10		FDCDMM
CC(=O)O[C@H](Cc1ccccc1)C(=O)NCC(=O)c1ccc([O-])c(O)c1	ZINC001186342389	964465911	/nfs/dbraw/zinc/46/59/11/964465911.db2.gz	HUMDENCBXMOPFJ-GOSISDBHSA-N	-1	1	357.362	1.571	20	10		FDCDMM
O=S(=O)(Nc1c(F)cc([O-])cc1F)c1ccc(N2CCOCC2)nc1	ZINC001188532577	966403595	/nfs/dbraw/zinc/40/35/95/966403595.db2.gz	RNBRIHAOGSACIZ-UHFFFAOYSA-N	-1	1	371.365	1.703	20	10		FDCDMM
O=C(CNC(=O)c1ccnc(Br)c1)c1ccc([O-])c(O)c1	ZINC001188620982	966467759	/nfs/dbraw/zinc/46/77/59/966467759.db2.gz	HNTJNSWDQKTTEQ-UHFFFAOYSA-N	-1	1	351.156	1.868	20	10		FDCDMM
CCNC(=O)CO[C@H]1CCCN(C(=O)c2ccc(O)c([O-])c2Cl)C1	ZINC001193232134	969562582	/nfs/dbraw/zinc/56/25/82/969562582.db2.gz	FGADLGNQXNZWDU-JTQLQIEISA-N	-1	1	356.806	1.509	20	10		FDCDMM
O=C(Nc1ccc(N2CCNC(=O)C2)cc1)c1ccc(O)c([O-])c1Cl	ZINC001193232659	969563592	/nfs/dbraw/zinc/56/35/92/969563592.db2.gz	MPPPCGGGWINTEM-UHFFFAOYSA-N	-1	1	361.785	1.940	20	10		FDCDMM
CCOC(=O)[C@@H](CCSC)NC(=O)NCC(=O)c1ccc([O-])c(O)c1	ZINC001193265526	969592604	/nfs/dbraw/zinc/59/26/04/969592604.db2.gz	NSDFMEFKOBJHQR-LLVKDONJSA-N	-1	1	370.427	1.265	20	10		FDCDMM
Cn1cc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c(C2CC2)n1	ZINC000794536298	973017042	/nfs/dbraw/zinc/01/70/42/973017042.db2.gz	VZYUMRPYNABGCS-UHFFFAOYSA-N	-1	1	350.400	1.627	20	10		FDCDMM
Cn1cc(C(=O)NCC(=O)c2ccc([O-])c(O)c2)c(=O)c2ccccc21	ZINC001198982569	973776503	/nfs/dbraw/zinc/77/65/03/973776503.db2.gz	HBYHGRAWGQWLIY-UHFFFAOYSA-N	-1	1	352.346	1.562	20	10		FDCDMM
CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2O)C1	ZINC000862549874	984409479	/nfs/dbraw/zinc/40/94/79/984409479.db2.gz	AHQZGJOKGPGRAA-JTQLQIEISA-N	-1	1	350.843	1.946	20	10		FDCDMM
C[C@H]1CN(CC(C)(C)O)CCN1c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-]	ZINC001594509091	985766569	/nfs/dbraw/zinc/76/65/69/985766569.db2.gz	OIANQQVKFLHGPX-IYNGYCSASA-N	-1	1	363.414	1.974	20	10		FDCDMM
C[N@H+]1CCN(Cc2cc(Br)cc(F)c2[O-])C[C@@H](C(=O)[O-])C1	ZINC001598618756	993952914	/nfs/dbraw/zinc/95/29/14/993952914.db2.gz	UMGKSSHOOOOAPK-JTQLQIEISA-N	-1	1	361.211	1.742	20	10		FDCDMM
COC(=O)[C@H]1C[N@H+](Cc2cc(Cl)cc(C(C)=O)c2[O-])C[C@@H]1C(=O)[O-]	ZINC001598824493	996367221	/nfs/dbraw/zinc/36/72/21/996367221.db2.gz	AGCFYTSGPPCZAZ-STQMWFEESA-N	-1	1	355.774	1.554	20	10		FDCDMM
COC(=O)[C@H]1C[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2[O-])C[C@@H]1C(=O)[O-]	ZINC001598824493	996367224	/nfs/dbraw/zinc/36/72/24/996367224.db2.gz	AGCFYTSGPPCZAZ-STQMWFEESA-N	-1	1	355.774	1.554	20	10		FDCDMM
C[C@@H](S[C@@H](C)C(=O)[O-])C(=O)NCc1ccc(N2CCN(C)CC2)cc1	ZINC000887313919	997153304	/nfs/dbraw/zinc/15/33/04/997153304.db2.gz	NWGIYTAEQYDPOW-KGLIPLIRSA-N	-1	1	365.499	1.649	20	10		FDCDMM
COC(=O)c1cc(S(=O)(=O)Nc2ccc(O)cc2)c(C(=O)[O-])s1	ZINC001598955258	998227768	/nfs/dbraw/zinc/22/77/68/998227768.db2.gz	PMJBRUIVUQFNEO-UHFFFAOYSA-N	-1	1	357.365	1.739	20	10		FDCDMM
Cc1cc2ccc(Cl)cc2[nH]c1=NN/C=C1/C(=O)[N-]C(=S)NC1=O	ZINC000778520017	1006389706	/nfs/dbraw/zinc/38/97/06/1006389706.db2.gz	WGOVXTLUCVGSRC-UHFFFAOYSA-N	-1	1	361.814	1.528	20	10		FDCDMM
Cc1cc2ccc(Cl)cc2[nH]c1=NN/C=C1\C(=O)[N-]C(=S)NC1=O	ZINC000778520017	1006389710	/nfs/dbraw/zinc/38/97/10/1006389710.db2.gz	WGOVXTLUCVGSRC-UHFFFAOYSA-N	-1	1	361.814	1.528	20	10		FDCDMM
Cc1cc2ccc(Cl)cc2[nH]c1=NNC=C1C(=O)[N-]C(=S)NC1=O	ZINC000778520017	1006389715	/nfs/dbraw/zinc/38/97/15/1006389715.db2.gz	WGOVXTLUCVGSRC-UHFFFAOYSA-N	-1	1	361.814	1.528	20	10		FDCDMM
O=C1[N-]C(=S)NC(=O)C1=CNc1cc(Cl)ccc1N1CCOCC1	ZINC000060863281	522419728	/nfs/dbraw/zinc/41/97/28/522419728.db2.gz	BDUJZAPKWQBSCH-UHFFFAOYSA-N	-1	1	366.830	1.003	20	10		FDCDMM
COCCN1C(=O)C(=CNc2ccc(C)cc2[N+](=O)[O-])C(=O)[N-]C1=S	ZINC000060861672	522421675	/nfs/dbraw/zinc/42/16/75/522421675.db2.gz	XEJTURLHAGLPAR-NTMALXAHSA-N	-1	1	364.383	1.089	20	10		FDCDMM
CNC(=O)c1ccccc1NC=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O	ZINC000052536825	523196303	/nfs/dbraw/zinc/19/63/03/523196303.db2.gz	DDQXZMOWBMVRPF-WQLSENKSSA-N	-1	1	360.439	1.241	20	10		FDCDMM
C[N-]S(=O)(=O)c1cc(C(=O)NCc2ccc(N(C)C)c(F)c2)co1	ZINC000124600150	525028350	/nfs/dbraw/zinc/02/83/50/525028350.db2.gz	XULXIHCZCGFMLJ-UHFFFAOYSA-N	-1	1	355.391	1.323	20	10		FDCDMM
COC(=O)C=Cc1ccc(N2CCC[C@H](c3nc(=O)[n-][nH]3)C2)c([N+](=O)[O-])c1	ZINC000285774457	537270724	/nfs/dbraw/zinc/27/07/24/537270724.db2.gz	WICWZUKGWMWSQQ-PZBABLGHSA-N	-1	1	373.369	1.576	20	10		FDCDMM
CS(=O)(=O)N[C@@H]1CCCC[C@H]1CNC(=O)c1c(F)ccc(O)c1[O-]	ZINC000295321893	537712168	/nfs/dbraw/zinc/71/21/68/537712168.db2.gz	PSBQJCVYPWGZRT-GXSJLCMTSA-N	-1	1	360.407	1.075	20	10		FDCDMM
CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCc2n[n-]c(=N)o2)C1	ZINC000560638081	545563398	/nfs/dbraw/zinc/56/33/98/545563398.db2.gz	HLLHFTKGUCAUAW-UHFFFAOYSA-N	-1	1	368.441	1.689	20	10		FDCDMM
O=C([O-])/C=C/c1ccc(N2CCN([C@@H]3CCC[C@H]3O)CC2)c([N+](=O)[O-])c1	ZINC000739623307	599959529	/nfs/dbraw/zinc/95/95/29/599959529.db2.gz	DMPSAUBCPWTARH-NDOICKTLSA-N	-1	1	361.398	1.728	20	10		FDCDMM
Oc1ccccc1CN(C[C@H]1CCCO1)c1ccc(-c2nnn[n-]2)nn1	ZINC000826511160	608235250	/nfs/dbraw/zinc/23/52/50/608235250.db2.gz	FAMAUUMPMWDTDQ-CYBMUJFWSA-N	-1	1	353.386	1.548	20	10		FDCDMM
Oc1ccccc1CN(C[C@H]1CCCO1)c1ccc(-c2nn[n-]n2)nn1	ZINC000826511160	608235252	/nfs/dbraw/zinc/23/52/52/608235252.db2.gz	FAMAUUMPMWDTDQ-CYBMUJFWSA-N	-1	1	353.386	1.548	20	10		FDCDMM
CC(C)CNC(=O)Cc1noc(-c2cc(NS(C)(=O)=O)ccc2[O-])n1	ZINC000277941405	675067545	/nfs/dbraw/zinc/06/75/45/675067545.db2.gz	OBYWSVFVEZMJNO-UHFFFAOYSA-N	-1	1	368.415	1.128	20	10		FDCDMM
CS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000023397957	670706011	/nfs/dbraw/zinc/70/60/11/670706011.db2.gz	GCITULXEBZWWOB-UHFFFAOYSA-N	-1	1	371.396	1.767	20	10		FDCDMM
CCOC(=O)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)cn1C	ZINC000288458268	676009186	/nfs/dbraw/zinc/00/91/86/676009186.db2.gz	JTNZAVPTPLKUSD-UHFFFAOYSA-N	-1	1	366.395	1.586	20	10		FDCDMM
Cc1onc(N)c1S(=O)(=O)[N-]Cc1ccc(N2CCOCC2)c(F)c1	ZINC000289293235	676116901	/nfs/dbraw/zinc/11/69/01/676116901.db2.gz	HGDUYYAXWMNCQV-UHFFFAOYSA-N	-1	1	370.406	1.019	20	10		FDCDMM
CCn1cc([C@H]2CS(=O)(=O)CCN2Cc2cccc(F)c2[O-])cn1	ZINC000290597412	676216431	/nfs/dbraw/zinc/21/64/31/676216431.db2.gz	VRSLEOFABHACEZ-OAHLLOKOSA-N	-1	1	353.419	1.719	20	10		FDCDMM
COCc1nc(N2CCN(c3ccc(OC)cc3OC)CC2)cc(=O)[n-]1	ZINC000895002578	819449290	/nfs/dbraw/zinc/44/92/90/819449290.db2.gz	JONWAUSAKPHNBQ-UHFFFAOYSA-N	-1	1	360.414	1.672	20	10		FDCDMM
O=C(NCCS(=O)(=O)CC(F)(F)F)NCc1cccc(Cl)c1[O-]	ZINC000895737472	822728387	/nfs/dbraw/zinc/72/83/87/822728387.db2.gz	WDKCIAPQJUUYNY-UHFFFAOYSA-N	-1	1	374.768	1.822	20	10		FDCDMM
CN(C)S(=O)(=O)C1(CNC(=O)NCc2cccc(Cl)c2[O-])CC1	ZINC000896518679	824474952	/nfs/dbraw/zinc/47/49/52/824474952.db2.gz	TYGBSHSNVIAJBO-UHFFFAOYSA-N	-1	1	361.851	1.269	20	10		FDCDMM
CN1CCN(c2ccc(CNC(=O)NCCCCCC(=O)[O-])cc2)CC1	ZINC000898835724	845294462	/nfs/dbraw/zinc/29/44/62/845294462.db2.gz	OXCKAMUPTZQPHN-UHFFFAOYSA-N	-1	1	362.474	1.883	20	10		FDCDMM
O=S(=O)(NCc1cccc(Cl)c1[O-])N1CCC2(CC1)OCCO2	ZINC000908326875	855339076	/nfs/dbraw/zinc/33/90/76/855339076.db2.gz	FAYHIGGRUYQYAW-UHFFFAOYSA-N	-1	1	362.835	1.219	20	10		FDCDMM
Cc1nn(C)c(Br)c1C(=O)OCC(=O)c1ccc([O-])c(O)c1	ZINC000801505886	888209765	/nfs/dbraw/zinc/20/97/65/888209765.db2.gz	NVDMIYGCVLPDLB-UHFFFAOYSA-N	-1	1	369.171	1.942	20	10		FDCDMM
O=C(NCCc1cnccn1)NCc1cccc(Br)c1[O-]	ZINC000764806874	905732118	/nfs/dbraw/zinc/73/21/18/905732118.db2.gz	SRCHHLUFZBPLCG-UHFFFAOYSA-N	-1	1	351.204	1.987	20	10		FDCDMM
COC(=O)c1ccc([N-]S(=O)(=O)c2cccc3nonc32)c(F)c1	ZINC000765073573	906317075	/nfs/dbraw/zinc/31/70/75/906317075.db2.gz	JGQSLIQKHAPJKS-UHFFFAOYSA-N	-1	1	351.315	1.949	20	10		FDCDMM
COC(OC)C(=O)N1CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])CC1	ZINC000824229240	922852308	/nfs/dbraw/zinc/85/23/08/922852308.db2.gz	BGLRAHYWZGQKPB-UHFFFAOYSA-N	-1	1	370.833	1.511	20	10		FDCDMM
CN(C)c1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])nc1	ZINC000745189283	927096697	/nfs/dbraw/zinc/09/66/97/927096697.db2.gz	JOZXOOXPRUSSGI-UHFFFAOYSA-N	-1	1	350.400	1.477	20	10		FDCDMM
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cc(=O)[nH][n-]1	ZINC000771057454	930406069	/nfs/dbraw/zinc/40/60/69/930406069.db2.gz	JTGPQGBYKDLNLG-LBPRGKRZSA-N	-1	1	350.806	1.002	20	10		FDCDMM
COC[C@H](C)CS(=O)(=O)NCc1cccc(Br)c1[O-]	ZINC000809839178	940904751	/nfs/dbraw/zinc/90/47/51/940904751.db2.gz	KKMKPLBGPUMNOH-VIFPVBQESA-N	-1	1	352.250	1.857	20	10		FDCDMM
COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(O)cc2O)c(C)cc1O	ZINC001195339200	970853967	/nfs/dbraw/zinc/85/39/67/970853967.db2.gz	KJAAQGBNQVAPRS-UHFFFAOYSA-N	-1	1	353.352	1.699	20	10		FDCDMM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2C[C@H](CO)c3ccccc32)c1	ZINC000817788605	942978527	/nfs/dbraw/zinc/97/85/27/942978527.db2.gz	AIHWFELXXHSHKO-LLVKDONJSA-N	-1	1	362.407	1.500	20	10		FDCDMM
NC(=O)CCOc1ccccc1NS(=O)(=O)c1cc(F)cc(F)c1[O-]	ZINC000821157342	944371201	/nfs/dbraw/zinc/37/12/01/944371201.db2.gz	HUOTXHUQGHUIDG-UHFFFAOYSA-N	-1	1	372.349	1.725	20	10		FDCDMM
CC(=O)c1cc(Cl)cc(CN2CCN(CC(F)(F)CO)CC2)c1[O-]	ZINC001195668886	971153285	/nfs/dbraw/zinc/15/32/85/971153285.db2.gz	BYYSBOPGQJELFX-UHFFFAOYSA-N	-1	1	362.804	1.993	20	10		FDCDMM
CC(=O)N1CC[C@@H](NC(=O)NCc2cccc(Br)c2[O-])C1	ZINC000856916176	971465638	/nfs/dbraw/zinc/46/56/38/971465638.db2.gz	YQUIUBQCJKFHJB-LLVKDONJSA-N	-1	1	356.220	1.575	20	10		FDCDMM
O=S(=O)(NCc1cccc(Br)c1[O-])N1CCCOCC1	ZINC000845920623	950092442	/nfs/dbraw/zinc/09/24/42/950092442.db2.gz	FUMCDFBASBVTND-UHFFFAOYSA-N	-1	1	365.249	1.211	20	10		FDCDMM
N=c1nc(Oc2ccc(N)cc2F)ccn1C(=O)c1cc(O)c([O-])c(O)c1	ZINC001148586519	952759394	/nfs/dbraw/zinc/75/93/94/952759394.db2.gz	QMUDOSZKNCSYOT-UHFFFAOYSA-N	-1	1	372.312	1.681	20	10		FDCDMM
Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)N(C)Cc3ccon3)cc12	ZINC001184360172	963541280	/nfs/dbraw/zinc/54/12/80/963541280.db2.gz	WTLZEAWCAYXJPB-UHFFFAOYSA-N	-1	1	371.393	1.885	20	10		FDCDMM
COc1cnc([C@@H]2CCCN2C(=O)C=Cc2ccc(O)c(O)c2)[n-]c1=O	ZINC001180060075	965094986	/nfs/dbraw/zinc/09/49/86/965094986.db2.gz	QUZKVGNMUJHOCG-HWPRWLFBSA-N	-1	1	357.366	1.979	20	10		FDCDMM
COc1cnc([C@H]2CCCN2C(=O)C=Cc2ccc(O)c(O)c2)[n-]c1=O	ZINC001180060077	965095131	/nfs/dbraw/zinc/09/51/31/965095131.db2.gz	QUZKVGNMUJHOCG-SMYYYNMVSA-N	-1	1	357.366	1.979	20	10		FDCDMM
CCOc1ccc(C)cc1S(=O)(=O)NCC(=O)c1ccc([O-])c(O)c1	ZINC001191845444	968816330	/nfs/dbraw/zinc/81/63/30/968816330.db2.gz	DJRHKKJFBWQNNJ-UHFFFAOYSA-N	-1	1	365.407	1.966	20	10		FDCDMM
CO[C@@](C)(C(=O)OCC(=O)c1ccc([O-])c(O)c1)C(=O)OC(C)(C)C	ZINC000850123485	978182243	/nfs/dbraw/zinc/18/22/43/978182243.db2.gz	GYRNTQJPDGILOO-KRWDZBQOSA-N	-1	1	354.355	1.571	20	10		FDCDMM
COC(=O)c1cc(S(=O)(=O)Nc2ccc(O)cc2C(=O)[O-])cs1	ZINC000776433260	978748111	/nfs/dbraw/zinc/74/81/11/978748111.db2.gz	PGWQNSVQJVEYMJ-UHFFFAOYSA-N	-1	1	357.365	1.739	20	10		FDCDMM
C[C@@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1ccc(N(C)C)cc1	ZINC000859114397	982542560	/nfs/dbraw/zinc/54/25/60/982542560.db2.gz	DZPCMYYKPKRBGW-SNVBAGLBSA-N	-1	1	353.404	1.434	20	10		FDCDMM
COC(=O)[C@@H](C[C@H]1CCCOC1)NCc1ccc([N+](=O)[O-])c(OC)c1[O-]	ZINC000862516742	984402621	/nfs/dbraw/zinc/40/26/21/984402621.db2.gz	YBDDVUIAUARVLM-DGCLKSJQSA-N	-1	1	368.386	1.757	20	10		FDCDMM
CCn1[nH]c(C)nc1=NC(=O)NCc1cccc(Br)c1[O-]	ZINC000888538041	986358129	/nfs/dbraw/zinc/35/81/29/986358129.db2.gz	BJLPDPMOJGFOAE-UHFFFAOYSA-N	-1	1	354.208	1.818	20	10		FDCDMM
Cc1cc(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)c(C)n1-c1ccccn1	ZINC000370853338	990045409	/nfs/dbraw/zinc/04/54/09/990045409.db2.gz	RYARXXLCQINOSL-AWEZNQCLSA-N	-1	1	353.386	1.216	20	10		FDCDMM
COC(=O)c1cn([C@H]2CCCN(Cc3ccc(F)c(F)c3[O-])C2)nn1	ZINC000877364797	993249159	/nfs/dbraw/zinc/24/91/59/993249159.db2.gz	NOFJZNUGBMLIJS-NSHDSACASA-N	-1	1	352.341	1.886	20	10		FDCDMM
COc1ccc(N2CCN(CCNCc3cc(C(=O)[O-])no3)CC2)cc1	ZINC001599586682	993622810	/nfs/dbraw/zinc/62/28/10/993622810.db2.gz	VKBVRXSCGCEERX-UHFFFAOYSA-N	-1	1	360.414	1.293	20	10		FDCDMM
O=C1Cc2cc(S(=O)(=O)[N-]c3cccc(N4CCOCC4)c3)ccc2N1	ZINC000041374357	1006407273	/nfs/dbraw/zinc/40/72/73/1006407273.db2.gz	BUNYVQBNRRFNGS-UHFFFAOYSA-N	-1	1	373.434	1.819	20	10		FDCDMM
COc1c([O-])c(CN2CCN(C(=O)[C@H]3CCCO3)CC2)ccc1[N+](=O)[O-]	ZINC000278316907	537298037	/nfs/dbraw/zinc/29/80/37/537298037.db2.gz	XQGSJLHTBHEBSG-CQSZACIVSA-N	-1	1	365.386	1.132	20	10		FDCDMM
CN(C)c1ccc(CN(C)C(=O)CN2CCC3(C[C@@H]3C(=O)[O-])CC2)cc1	ZINC000737476238	600294260	/nfs/dbraw/zinc/29/42/60/600294260.db2.gz	HDHULAGDBYCMCD-QGZVFWFLSA-N	-1	1	359.470	1.898	20	10		FDCDMM
O=C([O-])NCCNC(=O)[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1	ZINC000834241482	605992283	/nfs/dbraw/zinc/99/22/83/605992283.db2.gz	SNYMNDCCFMVHEY-JTQLQIEISA-N	-1	1	373.812	1.781	20	10		FDCDMM
Oc1ccccc1CN(C[C@@H]1CCCO1)c1ccc(-c2nnn[n-]2)nn1	ZINC000826511161	608235220	/nfs/dbraw/zinc/23/52/20/608235220.db2.gz	FAMAUUMPMWDTDQ-ZDUSSCGKSA-N	-1	1	353.386	1.548	20	10		FDCDMM
Oc1ccccc1CN(C[C@@H]1CCCO1)c1ccc(-c2nn[n-]n2)nn1	ZINC000826511161	608235223	/nfs/dbraw/zinc/23/52/23/608235223.db2.gz	FAMAUUMPMWDTDQ-ZDUSSCGKSA-N	-1	1	353.386	1.548	20	10		FDCDMM
Cc1ccc(C)n1-c1ccc(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)cc1	ZINC000064347930	671324503	/nfs/dbraw/zinc/32/45/03/671324503.db2.gz	YSPBKAQZNTVRLH-UHFFFAOYSA-N	-1	1	359.411	1.868	20	10		FDCDMM
Cc1ccc(C)n1-c1ccc(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)cc1	ZINC000064347930	671324505	/nfs/dbraw/zinc/32/45/05/671324505.db2.gz	YSPBKAQZNTVRLH-UHFFFAOYSA-N	-1	1	359.411	1.868	20	10		FDCDMM
COc1c([O-])c(CN(C)Cc2ncnn2CC(F)F)ccc1[N+](=O)[O-]	ZINC000278991018	675228712	/nfs/dbraw/zinc/22/87/12/675228712.db2.gz	JLXBLTNJOJTOBL-UHFFFAOYSA-N	-1	1	357.317	1.798	20	10		FDCDMM
CN(Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H]1CCN(S(C)(=O)=O)C1	ZINC000292750946	676310285	/nfs/dbraw/zinc/31/02/85/676310285.db2.gz	IKFXIGBCXQVFDD-NSHDSACASA-N	-1	1	363.823	1.420	20	10		FDCDMM
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000274906188	770973076	/nfs/dbraw/zinc/97/30/76/770973076.db2.gz	RPQVYYCUYMDGLS-UHFFFAOYSA-N	-1	1	372.381	1.804	20	10		FDCDMM
O=C(CCN1C(=O)NC2(CCCC2)C1=O)NCc1cccc(Cl)c1[O-]	ZINC000890757547	771586603	/nfs/dbraw/zinc/58/66/03/771586603.db2.gz	HQAOJBYYTCUZLN-UHFFFAOYSA-N	-1	1	365.817	1.917	20	10		FDCDMM
COc1ccc(C(=O)N2CCN(C(=O)c3c(F)ccc(O)c3[O-])CC2)cc1	ZINC000276663386	778447595	/nfs/dbraw/zinc/44/75/95/778447595.db2.gz	MTVFRGWUGGNUKT-UHFFFAOYSA-N	-1	1	374.368	1.844	20	10		FDCDMM
O=C(CNC(=O)OCC(F)(F)F)OCC(=O)c1ccc([O-])c(O)c1	ZINC000783080743	793555611	/nfs/dbraw/zinc/55/56/11/793555611.db2.gz	PJKFMONZTOXCBN-UHFFFAOYSA-N	-1	1	351.233	1.112	20	10		FDCDMM
COC(=O)C[C@H]1C(=O)NCCN1Cc1cc(C)cc(Br)c1[O-]	ZINC000781894388	795240414	/nfs/dbraw/zinc/24/04/14/795240414.db2.gz	GMBKSKVKUNTIKD-LBPRGKRZSA-N	-1	1	371.231	1.327	20	10		FDCDMM
Cc1cc(N(C)C)ccc1C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-]	ZINC000742298293	926006969	/nfs/dbraw/zinc/00/69/69/926006969.db2.gz	JSZDSVDYPYGUPH-UHFFFAOYSA-N	-1	1	350.400	1.843	20	10		FDCDMM
COC(=O)c1cncc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1	ZINC000770024409	929803715	/nfs/dbraw/zinc/80/37/15/929803715.db2.gz	CKWRMZIXOZMIOJ-UHFFFAOYSA-N	-1	1	365.367	1.198	20	10		FDCDMM
CN1C[C@@H](C(=O)OCC(=O)c2ccc([O-])c(O)c2)c2ccccc2C1=O	ZINC000787093083	932157590	/nfs/dbraw/zinc/15/75/90/932157590.db2.gz	JLYDMZIWDZIRAP-CQSZACIVSA-N	-1	1	355.346	1.693	20	10		FDCDMM
O=C(Cn1[n-]cc2c(=O)ncnc1-2)NCc1cc(Cl)cc(Cl)c1O	ZINC000807837411	940487151	/nfs/dbraw/zinc/48/71/51/940487151.db2.gz	OTGPPDBIOJNOJI-UHFFFAOYSA-N	-1	1	368.180	1.400	20	10		FDCDMM
COCCN(Cc1ccccc1)Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1	ZINC000846230548	950751190	/nfs/dbraw/zinc/75/11/90/950751190.db2.gz	SVGREADUXMVNHN-UHFFFAOYSA-N	-1	1	356.382	1.782	20	10		FDCDMM
O=S(=O)(CCn1cccn1)NCc1cccc(Br)c1[O-]	ZINC000867195895	971895842	/nfs/dbraw/zinc/89/58/42/971895842.db2.gz	YRIPQJGUJYXBNC-UHFFFAOYSA-N	-1	1	360.233	1.471	20	10		FDCDMM
O=C([O-])[C@@H]1CC(=O)N(C2CC[NH+](Cc3ccc(Cl)cc3[O-])CC2)C1	ZINC001594897616	954581293	/nfs/dbraw/zinc/58/12/93/954581293.db2.gz	AJQZZGDDMIUJIZ-GFCCVEGCSA-N	-1	1	352.818	1.943	20	10		FDCDMM
CC(=O)NCC[N@H+](Cc1ccc(Br)cc1[O-])[C@@H](C)C(=O)[O-]	ZINC001588515189	958793609	/nfs/dbraw/zinc/79/36/09/958793609.db2.gz	XGUDHAMYXHKYNW-VIFPVBQESA-N	-1	1	359.220	1.566	20	10		FDCDMM
CC(=O)NCC[N@@H+](Cc1ccc(Br)cc1[O-])[C@@H](C)C(=O)[O-]	ZINC001588515189	958793622	/nfs/dbraw/zinc/79/36/22/958793622.db2.gz	XGUDHAMYXHKYNW-VIFPVBQESA-N	-1	1	359.220	1.566	20	10		FDCDMM
COc1ccc(N2CCN(CCCNc3cncc(C(=O)[O-])n3)CC2)cc1	ZINC001164327487	960513502	/nfs/dbraw/zinc/51/35/02/960513502.db2.gz	IZYPRFZSNMZURX-UHFFFAOYSA-N	-1	1	371.441	1.808	20	10		FDCDMM
O=C(CNC(=O)[C@H]1COCCN1Cc1ccccc1)c1ccc([O-])c(O)c1	ZINC001184018301	963390009	/nfs/dbraw/zinc/39/00/09/963390009.db2.gz	RNIMHRJUOLICTO-MRXNPFEDSA-N	-1	1	370.405	1.298	20	10		FDCDMM
Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)N[C@H]3CCOC[C@@H]3C)cc12	ZINC001184361097	963542074	/nfs/dbraw/zinc/54/20/74/963542074.db2.gz	VOKZWMZZNBATME-BBRMVZONSA-N	-1	1	374.437	1.780	20	10		FDCDMM
Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)N3C[C@@H](C)OC[C@@H]3C)cc12	ZINC001184362206	963543933	/nfs/dbraw/zinc/54/39/33/963543933.db2.gz	WYRDEQGVNBOUEC-UONOGXRCSA-N	-1	1	374.437	1.875	20	10		FDCDMM
CCCOc1ccc([C@@H](O)C(=O)NCC(=O)c2ccc([O-])c(O)c2)cc1	ZINC001180840891	965608421	/nfs/dbraw/zinc/60/84/21/965608421.db2.gz	ODVZZUDHQDLMEC-GOSISDBHSA-N	-1	1	359.378	1.919	20	10		FDCDMM
CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)c(C(=O)OC)c2)cc1	ZINC001191611702	968663887	/nfs/dbraw/zinc/66/38/87/968663887.db2.gz	MSMYCRZKZZIFTB-UHFFFAOYSA-N	-1	1	364.379	1.339	20	10		FDCDMM
CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)cc1C	ZINC000794593187	973389675	/nfs/dbraw/zinc/38/96/75/973389675.db2.gz	SYCBDCLNQZGHKK-UHFFFAOYSA-N	-1	1	370.452	1.718	20	10		FDCDMM
CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccoc2)cc1C(=O)[O-]	ZINC000794762360	973827525	/nfs/dbraw/zinc/82/75/25/973827525.db2.gz	LRIMAVUIQKWSBP-UHFFFAOYSA-N	-1	1	360.369	1.150	20	10		FDCDMM
O=C(CNC(=O)c1cc(OC2CCOCC2)ccn1)c1ccc([O-])c(O)c1	ZINC001199544192	974385217	/nfs/dbraw/zinc/38/52/17/974385217.db2.gz	FGFUYPPOZAJQLM-UHFFFAOYSA-N	-1	1	372.377	1.663	20	10		FDCDMM
O=C(NCc1cccc(Br)c1[O-])C1(N2CCOCC2)CC1	ZINC000867830781	976955289	/nfs/dbraw/zinc/95/52/89/976955289.db2.gz	IQEUOKHFILTFHC-UHFFFAOYSA-N	-1	1	355.232	1.636	20	10		FDCDMM
C[C@@H]1COCC[C@@H]1S(=O)(=O)NCc1cccc(Br)c1[O-]	ZINC000882131680	980439184	/nfs/dbraw/zinc/43/91/84/980439184.db2.gz	KAMXLHATAACDAT-SKDRFNHKSA-N	-1	1	364.261	1.999	20	10		FDCDMM
Cc1cc(Br)c([O-])c(CN2CCN(c3nccnn3)CC2)c1	ZINC000862442928	984391315	/nfs/dbraw/zinc/39/13/15/984391315.db2.gz	LIDNUDGMCBNIOF-UHFFFAOYSA-N	-1	1	364.247	1.970	20	10		FDCDMM
O=C(Cc1ccccc1)N1CCN(C(=O)c2c([O-])c(O)ccc2F)CC1	ZINC000294856424	988553104	/nfs/dbraw/zinc/55/31/04/988553104.db2.gz	NYRUMWPXZRUJGR-UHFFFAOYSA-N	-1	1	358.369	1.764	20	10		FDCDMM
C[C@@H]([NH2+]CCC(=O)NCCC(=O)[O-])c1cc(Br)ccc1[O-]	ZINC001593262839	994557173	/nfs/dbraw/zinc/55/71/73/994557173.db2.gz	XSUZBJKTXLFCJV-SECBINFHSA-N	-1	1	359.220	1.786	20	10		FDCDMM
CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(OC)nc2)cc1	ZINC000795300426	1005975589	/nfs/dbraw/zinc/97/55/89/1005975589.db2.gz	YSGCNLZNUFBJLU-UHFFFAOYSA-N	-1	1	371.440	1.653	20	10		FDCDMM
Cn1nnc2c1C[C@@H](C(=O)NCc1cccc(Br)c1[O-])CC2	ZINC000290503208	537365346	/nfs/dbraw/zinc/36/53/46/537365346.db2.gz	SOAHKJSFRKIISZ-VIFPVBQESA-N	-1	1	365.231	1.705	20	10		FDCDMM
O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc(-c2nnn[n-]2)nc1	ZINC000738103640	599026194	/nfs/dbraw/zinc/02/61/94/599026194.db2.gz	NBUFTVIZIBVDMV-UHFFFAOYSA-N	-1	1	365.397	1.028	20	10		FDCDMM
O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc(-c2nn[n-]n2)nc1	ZINC000738103640	599026196	/nfs/dbraw/zinc/02/61/96/599026196.db2.gz	NBUFTVIZIBVDMV-UHFFFAOYSA-N	-1	1	365.397	1.028	20	10		FDCDMM
CCN1CCN(c2ccc(CNC(=O)CCCNC(=O)[O-])cc2F)CC1	ZINC000737122103	602752818	/nfs/dbraw/zinc/75/28/18/602752818.db2.gz	HUGGQHWZHCKJDD-UHFFFAOYSA-N	-1	1	366.437	1.632	20	10		FDCDMM
C[C@H](O)c1cn(CC(=O)NCc2cccc(Br)c2[O-])nn1	ZINC000277639729	674986300	/nfs/dbraw/zinc/98/63/00/674986300.db2.gz	XYRIDGQUCCGKNA-QMMMGPOBSA-N	-1	1	355.192	1.116	20	10		FDCDMM
CC(C)CN1C(=O)C(=CNCc2ccc(N(C)C)cc2)C(=O)[N-]C1=S	ZINC000255033984	672608024	/nfs/dbraw/zinc/60/80/24/672608024.db2.gz	CERAVIQZPPWTSG-XNTDXEJSSA-N	-1	1	360.483	1.625	20	10		FDCDMM
O=C(COC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc([O-])c(O)c1	ZINC000916591527	881788922	/nfs/dbraw/zinc/78/89/22/881788922.db2.gz	RLXVNOQWBCPCIA-OAHLLOKOSA-N	-1	1	369.373	1.872	20	10		FDCDMM
COc1ccc(-c2nnn(CC(=O)c3ccc([O-])c(O)c3)n2)cc1OC	ZINC000916621666	881838455	/nfs/dbraw/zinc/83/84/55/881838455.db2.gz	VXKRJKWZSVXDOO-UHFFFAOYSA-N	-1	1	356.338	1.651	20	10		FDCDMM
O=C(NCc1cccc(Br)c1[O-])C1CCS(=O)(=O)CC1	ZINC000765737709	908500409	/nfs/dbraw/zinc/50/04/09/908500409.db2.gz	WLIIRURVEANOAM-UHFFFAOYSA-N	-1	1	362.245	1.596	20	10		FDCDMM
O=C(NCc1ccc(N2CCOCC2)cc1)c1cnc(C2CC2)[n-]c1=O	ZINC000828198216	924845042	/nfs/dbraw/zinc/84/50/42/924845042.db2.gz	SWOQNASBLMMGAW-UHFFFAOYSA-N	-1	1	354.410	1.826	20	10		FDCDMM
Cc1c(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])n[nH]c1C1CC1	ZINC000769750519	929662861	/nfs/dbraw/zinc/66/28/61/929662861.db2.gz	CHWOJJCYCUEHAP-UHFFFAOYSA-N	-1	1	350.400	1.925	20	10		FDCDMM
Cc1ccc(CO)cc1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000770034561	929809651	/nfs/dbraw/zinc/80/96/51/929809651.db2.gz	ACHHHCODXKMPBF-UHFFFAOYSA-N	-1	1	350.396	1.817	20	10		FDCDMM
Cn1nnc(Br)c1C(=O)OCC(=O)c1ccc([O-])c(O)c1	ZINC000811452346	941133867	/nfs/dbraw/zinc/13/38/67/941133867.db2.gz	STILZDXKQHLBRD-UHFFFAOYSA-N	-1	1	356.132	1.029	20	10		FDCDMM
O=C(NCc1cccc(Br)c1[O-])[C@H]1CCc2nnnn2CC1	ZINC000846013516	950331476	/nfs/dbraw/zinc/33/14/76/950331476.db2.gz	CBHVLUKXSICWCP-VIFPVBQESA-N	-1	1	366.219	1.410	20	10		FDCDMM
O=C(CNC(=O)c1cncn1Cc1ccncc1)c1ccc([O-])c(O)c1	ZINC001197896038	972530441	/nfs/dbraw/zinc/53/04/41/972530441.db2.gz	IZMKOCYCRANPME-UHFFFAOYSA-N	-1	1	352.350	1.350	20	10		FDCDMM
COC(=O)C1CC2(C1)C[N@@H+](Cc1ccc(F)c(F)c1[O-])C[C@H]2C(=O)[O-]	ZINC001574049058	962149397	/nfs/dbraw/zinc/14/93/97/962149397.db2.gz	UGYBKUMDVKLYPM-GCULGPDHSA-N	-1	1	355.337	1.756	20	10		FDCDMM
COc1ccc(C2(C(=O)NCC(=O)c3ccc([O-])c(O)c3)CC(O)C2)cc1	ZINC001184193079	963473616	/nfs/dbraw/zinc/47/36/16/963473616.db2.gz	RBRFTDCXGGDNNC-UHFFFAOYSA-N	-1	1	371.389	1.498	20	10		FDCDMM
Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)N3[C@@H](C)CC[C@H]3CO)cc12	ZINC001184356254	963540282	/nfs/dbraw/zinc/54/02/82/963540282.db2.gz	DRGFCHVUQJZQKR-ZFWWWQNUSA-N	-1	1	374.437	1.611	20	10		FDCDMM
Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)N[C@H]3C[C@@](C)(O)C3)cc12	ZINC001184362322	963543240	/nfs/dbraw/zinc/54/32/40/963543240.db2.gz	PSOSURSTYCZKOS-XVDXERDNSA-N	-1	1	360.410	1.268	20	10		FDCDMM
O=C(CNC(=O)C1(Cc2cccnc2)CCOCC1)c1ccc([O-])c(O)c1	ZINC001177205081	963702324	/nfs/dbraw/zinc/70/23/24/963702324.db2.gz	AYPDZIMFRDFLRZ-UHFFFAOYSA-N	-1	1	370.405	1.831	20	10		FDCDMM
O=C(CNC(=O)c1ccccc1C(=O)N1CCCC1)c1ccc([O-])c(O)c1	ZINC001187144443	965043496	/nfs/dbraw/zinc/04/34/96/965043496.db2.gz	LMADLCIAYUFIHN-UHFFFAOYSA-N	-1	1	368.389	1.947	20	10		FDCDMM
COC(=O)c1cc(O)ccc1NS(=O)(=O)c1ccc(C(=O)[O-])c(F)c1	ZINC000775287081	967201759	/nfs/dbraw/zinc/20/17/59/967201759.db2.gz	IWPGHCBYPGRRKL-UHFFFAOYSA-N	-1	1	369.326	1.817	20	10		FDCDMM
O=C(CNC(=O)c1c[nH]c(=O)c(Br)c1)c1ccc([O-])c(O)c1	ZINC001190484214	967866010	/nfs/dbraw/zinc/86/60/10/967866010.db2.gz	PIOKLBQAYKCHDM-UHFFFAOYSA-N	-1	1	367.155	1.574	20	10		FDCDMM
NS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(O)c(Cl)c2)c1	ZINC000776748875	968992753	/nfs/dbraw/zinc/99/27/53/968992753.db2.gz	NCFRGJPOHXBNHV-UHFFFAOYSA-N	-1	1	362.816	1.494	20	10		FDCDMM
O=C(/C=C\CN1CCOCC1)NCc1cccc(Br)c1[O-]	ZINC000867832425	976958687	/nfs/dbraw/zinc/95/86/87/976958687.db2.gz	MPGBOEDDXXTXMD-DJWKRKHSSA-N	-1	1	355.232	1.659	20	10		FDCDMM
CCc1noc2ncc(S(=O)(=O)Nc3ccc(O)cc3C(=O)[O-])cc12	ZINC000776432851	978748234	/nfs/dbraw/zinc/74/82/34/978748234.db2.gz	HHBVEHZIQDCNMS-UHFFFAOYSA-N	-1	1	363.351	1.990	20	10		FDCDMM
CCc1nn(C)cc1S(=O)(=O)NCc1cccc(Br)c1[O-]	ZINC000882132341	980439917	/nfs/dbraw/zinc/43/99/17/980439917.db2.gz	YHHKRMMJDMVEBV-UHFFFAOYSA-N	-1	1	374.260	1.929	20	10		FDCDMM
O=S(=O)(NCc1cccc(Br)c1[O-])[C@@H]1C[C@@H]2CC[C@H]1O2	ZINC000882132215	980439970	/nfs/dbraw/zinc/43/99/70/980439970.db2.gz	UONFUQZREKZVQB-MVWJERBFSA-N	-1	1	362.245	1.894	20	10		FDCDMM
O=C(NCc1ccncc1OC[C@@H]1CCOC1)c1c(F)ccc(O)c1[O-]	ZINC000295599304	988708657	/nfs/dbraw/zinc/70/86/57/988708657.db2.gz	XESJKQFGRYGNEU-LLVKDONJSA-N	-1	1	362.357	1.977	20	10		FDCDMM
CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC[C@@](C)(O)C(=O)[O-])C1	ZINC001591634915	992942346	/nfs/dbraw/zinc/94/23/46/992942346.db2.gz	FVJVRZAZFAVGQM-HXUWFJFHSA-N	-1	1	373.453	1.360	20	10		FDCDMM
CN1CCN(c2ccc(CNC(=O)Cc3ccc(C(=O)[O-])nc3)cc2)CC1	ZINC001598622457	994025684	/nfs/dbraw/zinc/02/56/84/994025684.db2.gz	KHGUPSZERGENQS-UHFFFAOYSA-N	-1	1	368.437	1.391	20	10		FDCDMM
COC[C@H](C)n1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])n1	ZINC000779347981	1008734827	/nfs/dbraw/zinc/73/48/27/1008734827.db2.gz	UCAPHWYGCAPKBQ-JTQLQIEISA-N	-1	1	368.415	1.420	20	10		FDCDMM
COCCN1C(=O)C(=CNCc2cccc(Cl)c2)C(=O)[N-]C1=S	ZINC000060862104	522421850	/nfs/dbraw/zinc/42/18/50/522421850.db2.gz	ZFKOMIOLXAGPOO-XFXZXTDPSA-N	-1	1	353.831	1.203	20	10		FDCDMM
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(-c2nnn[n-]2)nc1	ZINC000736558453	599025057	/nfs/dbraw/zinc/02/50/57/599025057.db2.gz	KWXSAHSQUXQSSD-UHFFFAOYSA-N	-1	1	351.414	1.990	20	10		FDCDMM
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(-c2nn[n-]n2)nc1	ZINC000736558453	599025060	/nfs/dbraw/zinc/02/50/60/599025060.db2.gz	KWXSAHSQUXQSSD-UHFFFAOYSA-N	-1	1	351.414	1.990	20	10		FDCDMM
CN(C)c1ccc(CNC(=O)CN2CCC(CN(C)C(=O)[O-])CC2)cc1	ZINC000739661038	602385182	/nfs/dbraw/zinc/38/51/82/602385182.db2.gz	MZKFUCXPLHWHJB-UHFFFAOYSA-N	-1	1	362.474	1.691	20	10		FDCDMM
C[C@H](NC(=O)[O-])C1CCN(CC(=O)NCc2ccc(N(C)C)cc2)CC1	ZINC000739023495	602445428	/nfs/dbraw/zinc/44/54/28/602445428.db2.gz	GPORBUVSOHMVBD-AWEZNQCLSA-N	-1	1	362.474	1.737	20	10		FDCDMM
COc1cc(C)[n-]c(=NNC(=S)Nc2ccccc2-c2nn[nH]n2)n1	ZINC000821711951	606167860	/nfs/dbraw/zinc/16/78/60/606167860.db2.gz	BNYCQZXTXYLVBL-UHFFFAOYSA-N	-1	1	357.403	1.287	20	10		FDCDMM
CC(C)CN1C(=O)C(=CNCc2ccc(N(C)C)cc2)C(=O)[N-]C1=S	ZINC000028978705	670800244	/nfs/dbraw/zinc/80/02/44/670800244.db2.gz	CERAVIQZPPWTSG-GDNBJRDFSA-N	-1	1	360.483	1.625	20	10		FDCDMM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2nc3c(s2)COCC3)c1	ZINC000263951162	672895737	/nfs/dbraw/zinc/89/57/37/672895737.db2.gz	YUQBITDRXZEGDK-UHFFFAOYSA-N	-1	1	369.424	1.545	20	10		FDCDMM
O=[N+]([O-])c1cc(Cl)cc(CN2CCC[C@H](n3cc(CO)nn3)C2)c1[O-]	ZINC000293698866	676360911	/nfs/dbraw/zinc/36/09/11/676360911.db2.gz	RJNWQHSVVBCZMD-ZDUSSCGKSA-N	-1	1	367.793	1.875	20	10		FDCDMM
C[N-]S(=O)(=O)c1ccc(C(=O)NCc2ccc(N(C)C)c(F)c2)o1	ZINC000299447482	676535308	/nfs/dbraw/zinc/53/53/08/676535308.db2.gz	MZLUAHSOYKLQNE-UHFFFAOYSA-N	-1	1	355.391	1.323	20	10		FDCDMM
COCCN1C(=O)C(=CNc2cccc3c2CCCC3)C(=O)[N-]C1=S	ZINC000920976137	887360553	/nfs/dbraw/zinc/36/05/53/887360553.db2.gz	JABUXRRVMQLQBF-SDNWHVSQSA-N	-1	1	359.451	1.751	20	10		FDCDMM
CC(C)CN1C(=O)C(=CNc2ccc3[nH]c(=O)[nH]c3c2)C(=O)[N-]C1=S	ZINC000920976052	887361030	/nfs/dbraw/zinc/36/10/30/887361030.db2.gz	GZKAYPOBYRSZKW-POHAHGRESA-N	-1	1	359.411	1.464	20	10		FDCDMM
COCc1cnc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])s1	ZINC000804305026	928227588	/nfs/dbraw/zinc/22/75/88/928227588.db2.gz	BUIDQKOESRKDHF-UHFFFAOYSA-N	-1	1	357.413	1.619	20	10		FDCDMM
COc1ncc(C)cc1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000769938179	929771503	/nfs/dbraw/zinc/77/15/03/929771503.db2.gz	MCDCAWOIKWQMPI-UHFFFAOYSA-N	-1	1	351.384	1.728	20	10		FDCDMM
CN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccc2c(c1)OCO2	ZINC000770118176	929865181	/nfs/dbraw/zinc/86/51/81/929865181.db2.gz	XWPKGAUCJNPEOS-UHFFFAOYSA-N	-1	1	364.379	1.769	20	10		FDCDMM
COC(=O)COc1ccc(C=C2SC(=S)[N-]C2=O)cc1[N+](=O)[O-]	ZINC000788688606	932776061	/nfs/dbraw/zinc/77/60/61/932776061.db2.gz	JLUINQZOFQTOCA-YHYXMXQVSA-N	-1	1	354.365	1.635	20	10		FDCDMM
COc1ccc(OC)c([C@@H](O)CNC(=O)c2c(F)ccc(O)c2[O-])c1	ZINC000790068819	933331181	/nfs/dbraw/zinc/33/11/81/933331181.db2.gz	BSLDBJKNPVOSHR-ZDUSSCGKSA-N	-1	1	351.330	1.718	20	10		FDCDMM
CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(C)c(O)c2O)c1	ZINC000794128142	938364779	/nfs/dbraw/zinc/36/47/79/938364779.db2.gz	FNKIVZHBJHQKJA-UHFFFAOYSA-N	-1	1	352.368	1.272	20	10		FDCDMM
COc1ccc(N2CC[C@@H](CNC(=O)c3[nH]c(=O)[n-]c(=O)c3OC)C2)cc1	ZINC000819590060	943637299	/nfs/dbraw/zinc/63/72/99/943637299.db2.gz	WHIRACHMGMZYIR-NSHDSACASA-N	-1	1	374.397	1.161	20	10		FDCDMM
COc1c([O-])c(CN2CCC[C@@]3(CCS(=O)(=O)C3)C2)ccc1[N+](=O)[O-]	ZINC000824983596	946921797	/nfs/dbraw/zinc/92/17/97/946921797.db2.gz	ZGGLFLOBUVKTKC-MRXNPFEDSA-N	-1	1	370.427	1.710	20	10		FDCDMM
C[C@@H]1CN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CCN1CC(C)(C)O	ZINC000844212500	947882000	/nfs/dbraw/zinc/88/20/00/947882000.db2.gz	YYPDKOFNSFHRQJ-SCXUMTSISA-N	-1	1	363.414	1.974	20	10		FDCDMM
CCn1cc(CN(Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)C(C)C)cn1	ZINC000846291726	950872468	/nfs/dbraw/zinc/87/24/68/950872468.db2.gz	UALDLLNBLDIIGP-UHFFFAOYSA-N	-1	1	358.402	1.760	20	10		FDCDMM
COc1ccc(N2CC[C@H](NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)C2)cc1	ZINC000857302209	971707908	/nfs/dbraw/zinc/70/79/08/971707908.db2.gz	JCYKBZNHSQDWGI-NSHDSACASA-N	-1	1	358.354	1.713	20	10		FDCDMM
Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)N3CCCO[C@H](C)C3)cc12	ZINC001184355062	963559208	/nfs/dbraw/zinc/55/92/08/963559208.db2.gz	OPHDXYHIUKRVFR-CQSZACIVSA-N	-1	1	374.437	1.876	20	10		FDCDMM
O=C(CNC(=O)[C@H]1CCCN(CC(F)(F)F)C1)c1ccc([O-])c(O)c1	ZINC001184905922	963749110	/nfs/dbraw/zinc/74/91/10/963749110.db2.gz	MQTJEPVUZWYMNB-NSHDSACASA-N	-1	1	360.332	1.671	20	10		FDCDMM
CC(=O)c1cc(Cl)cc(CN2CCN(S(C)(=O)=O)[C@H](C)C2)c1[O-]	ZINC000852530560	967399899	/nfs/dbraw/zinc/39/98/99/967399899.db2.gz	JOEFCXIAOGZIFA-SNVBAGLBSA-N	-1	1	360.863	1.714	20	10		FDCDMM
Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)ccc1O	ZINC000776747330	968959889	/nfs/dbraw/zinc/95/98/89/968959889.db2.gz	BBAOSUBRAHHOCK-UHFFFAOYSA-N	-1	1	353.421	1.831	20	10		FDCDMM
O=C(c1ccc(O)c([O-])c1Cl)N1CCN(c2ncc(O)cn2)CC1	ZINC001193231871	969561560	/nfs/dbraw/zinc/56/15/60/969561560.db2.gz	AGDDZNOBWXRJAY-UHFFFAOYSA-N	-1	1	350.762	1.209	20	10		FDCDMM
O=C1[N-]C(=S)S/C1=C/c1ccc(OCCN2CCOCC2)cc1	ZINC000864362702	973518028	/nfs/dbraw/zinc/51/80/28/973518028.db2.gz	JJKWCBDHLZHITE-SDNWHVSQSA-N	-1	1	350.465	1.886	20	10		FDCDMM
C[C@H]1CN(c2ccc(CNC(=O)CCc3nn[n-]n3)cc2F)C[C@H](C)O1	ZINC000864931910	973955577	/nfs/dbraw/zinc/95/55/77/973955577.db2.gz	PRZBCKMKRUFTAE-RYUDHWBXSA-N	-1	1	362.409	1.201	20	10		FDCDMM
CN(C)c1ccc(CNC(=O)NCc2nc3c(c(=O)[n-]2)COCC3)cc1	ZINC000866179454	975459619	/nfs/dbraw/zinc/45/96/19/975459619.db2.gz	ALHNKPOYYAQBAO-UHFFFAOYSA-N	-1	1	357.414	1.320	20	10		FDCDMM
CSc1[nH]c(=O)c(C(=O)NCc2ccc(O)c(O)c2)cc1-c1nn[n-]n1	ZINC000826229637	980220582	/nfs/dbraw/zinc/22/05/82/980220582.db2.gz	LILMNWIXGQSQKK-UHFFFAOYSA-N	-1	1	374.382	1.030	20	10		FDCDMM
O=S(=O)([N-]Cc1ccc(N2CCOCC2)c(F)c1)c1ccns1	ZINC000884963891	985011512	/nfs/dbraw/zinc/01/15/12/985011512.db2.gz	ANOATXMSMTVCIV-UHFFFAOYSA-N	-1	1	357.432	1.597	20	10		FDCDMM
O=S(=O)([N-]Cc1ccc(N2CCC(O)CC2)cc1)c1ccns1	ZINC000885309811	985321570	/nfs/dbraw/zinc/32/15/70/985321570.db2.gz	WLPXJIHBRXCGCB-UHFFFAOYSA-N	-1	1	353.469	1.583	20	10		FDCDMM
C[C@@H]1CN(CC(C)(C)O)CCN1c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-]	ZINC001594509092	985766466	/nfs/dbraw/zinc/76/64/66/985766466.db2.gz	OIANQQVKFLHGPX-SCXUMTSISA-N	-1	1	363.414	1.974	20	10		FDCDMM
Cc1cc(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)c(C)n1-c1ccccc1	ZINC000364528137	989625429	/nfs/dbraw/zinc/62/54/29/989625429.db2.gz	FISIHPZANQXCQX-INIZCTEOSA-N	-1	1	352.398	1.821	20	10		FDCDMM
CN(C)c1ccc(C[N@H+]2C[C@@H](C(=O)[O-])C3(CC(C(=O)[O-])C3)C2)cc1F	ZINC001598317844	991307096	/nfs/dbraw/zinc/30/70/96/991307096.db2.gz	MLULPQMXVJGKNT-XYEKJYRLSA-N	-1	1	350.390	1.889	20	10		FDCDMM
COC(=O)[C@@H]1CN(C)CCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1	ZINC001598817331	996284943	/nfs/dbraw/zinc/28/49/43/996284943.db2.gz	GPKDGNHYUGWINT-RYWCDNDXSA-N	-1	1	363.370	1.234	20	10		FDCDMM
CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)nc2)cc1	ZINC000795298737	1005978518	/nfs/dbraw/zinc/97/85/18/1005978518.db2.gz	HVGLENPETKRBKJ-UHFFFAOYSA-N	-1	1	355.441	1.952	20	10		FDCDMM
COCCN1C(=O)C(=CNc2cc(Cl)ccc2OC)C(=O)[N-]C1=S	ZINC000060861135	522420945	/nfs/dbraw/zinc/42/09/45/522420945.db2.gz	PRVDDNQMDDEYQC-NTMALXAHSA-N	-1	1	369.830	1.534	20	10		FDCDMM
CC[C@H](CNC=C1C(=O)[N-]C(=S)N(CCOC)C1=O)c1ccccc1	ZINC000299262655	537521430	/nfs/dbraw/zinc/52/14/30/537521430.db2.gz	LSNGIBGQSZZMNQ-DKXRRRNBSA-N	-1	1	361.467	1.543	20	10		FDCDMM
CC(=O)NC[C@@H]1CN(Cc2c(O)c(C(=O)[O-])cc3ccccc32)CCO1	ZINC000736148954	600396033	/nfs/dbraw/zinc/39/60/33/600396033.db2.gz	VLVKAEKDSZMLFR-CQSZACIVSA-N	-1	1	358.394	1.581	20	10		FDCDMM
O=C([O-])C[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1cc(Cl)ccc1[O-]	ZINC000833248572	601376784	/nfs/dbraw/zinc/37/67/84/601376784.db2.gz	UJPHZAKZWZLDSH-UHFFFAOYSA-N	-1	1	354.750	1.737	20	10		FDCDMM
O=C([O-])C[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1cc(Cl)ccc1[O-]	ZINC000833248572	601376786	/nfs/dbraw/zinc/37/67/86/601376786.db2.gz	UJPHZAKZWZLDSH-UHFFFAOYSA-N	-1	1	354.750	1.737	20	10		FDCDMM
CC(=O)N1CCC(NC(=O)NCc2cccc(Br)c2[O-])CC1	ZINC000277421348	674939418	/nfs/dbraw/zinc/93/94/18/674939418.db2.gz	LDZAXDXUFYLFSL-UHFFFAOYSA-N	-1	1	370.247	1.965	20	10		FDCDMM
COC(=O)[C@@H](C)CS(=O)(=O)NCc1cccc(Br)c1[O-]	ZINC000277508010	674957226	/nfs/dbraw/zinc/95/72/26/674957226.db2.gz	QNWBTQSAGWMRCX-QMMMGPOBSA-N	-1	1	366.233	1.383	20	10		FDCDMM
C[C@@H](NC(=O)NCc1cccc(Br)c1[O-])c1ncn(C)n1	ZINC000277650278	674989007	/nfs/dbraw/zinc/98/90/07/674989007.db2.gz	YGMKADUJKOHCJR-MRVPVSSYSA-N	-1	1	354.208	1.844	20	10		FDCDMM
COc1ccc(OC)c(S(=O)(=O)Nc2ccc(O)cc2C(=O)[O-])c1	ZINC000013464051	670622322	/nfs/dbraw/zinc/62/23/22/670622322.db2.gz	NMHQLWDNQMZMBQ-UHFFFAOYSA-N	-1	1	353.352	1.908	20	10		FDCDMM
COC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccc(N(C)C)cc2C)o1	ZINC000115592612	671653462	/nfs/dbraw/zinc/65/34/62/671653462.db2.gz	AXKYYZUSBUAJGY-UHFFFAOYSA-N	-1	1	352.412	1.919	20	10		FDCDMM
COCCNC(=O)Cn1cc(NCc2cc(Cl)c(F)cc2[O-])cn1	ZINC000293689962	676360559	/nfs/dbraw/zinc/36/05/59/676360559.db2.gz	SFFKOSJKRUHVKX-UHFFFAOYSA-N	-1	1	356.785	1.756	20	10		FDCDMM
COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)c2c(F)ccc(O)c2[O-])C1	ZINC000295206205	676402318	/nfs/dbraw/zinc/40/23/18/676402318.db2.gz	FWGCUHKAVMNPLC-ZDUSSCGKSA-N	-1	1	351.252	1.805	20	10		FDCDMM
CCN1C(=O)[C@H]2CN(Cc3cc(Cl)cc(C(C)=O)c3[O-])CCN2C1=O	ZINC000375880625	678189998	/nfs/dbraw/zinc/18/99/98/678189998.db2.gz	NTUKOEMTBSBGJU-CQSZACIVSA-N	-1	1	365.817	1.717	20	10		FDCDMM
O=C(COC(=O)c1ccc(N2CCNC2=O)cc1)c1ccc([O-])c(O)c1	ZINC000782636949	785687775	/nfs/dbraw/zinc/68/77/75/785687775.db2.gz	PDCCBBYGPKGWQD-UHFFFAOYSA-N	-1	1	356.334	1.667	20	10		FDCDMM
Cc1ccc2ncc(C(=O)OCC(=O)c3ccc([O-])c(O)c3)c(=O)n2c1	ZINC000782671084	786019995	/nfs/dbraw/zinc/01/99/95/786019995.db2.gz	ATYZJRJBJLHXBX-UHFFFAOYSA-N	-1	1	354.318	1.454	20	10		FDCDMM
Cc1ccn2c(c1)ncc(C(=O)OCC(=O)c1ccc([O-])c(O)c1)c2=O	ZINC000782913757	788849585	/nfs/dbraw/zinc/84/95/85/788849585.db2.gz	NTSHHAGXLSNZGL-UHFFFAOYSA-N	-1	1	354.318	1.454	20	10		FDCDMM
COc1cc(N2CCN(C(=O)c3cncc([O-])c3)CC2)cc(OC)c1OC	ZINC000273569938	814796985	/nfs/dbraw/zinc/79/69/85/814796985.db2.gz	CZVLGYZVVULHEM-UHFFFAOYSA-N	-1	1	373.409	1.775	20	10		FDCDMM
CC(C)[C@H](CNC(=O)NCc1ccc(N2CCN(C)CC2)cc1)C(=O)[O-]	ZINC000898844821	845312912	/nfs/dbraw/zinc/31/29/12/845312912.db2.gz	JGMJTUAXPKOKNI-KRWDZBQOSA-N	-1	1	362.474	1.594	20	10		FDCDMM
C[C@@]1(C(=O)NCc2cccc(Br)c2[O-])CCCS1(=O)=O	ZINC000907758671	854604226	/nfs/dbraw/zinc/60/42/26/854604226.db2.gz	RTXLQUPTBWCTES-ZDUSSCGKSA-N	-1	1	362.245	1.738	20	10		FDCDMM
O=C([O-])/C=C/c1ccc(N2CCC(N3CCOCC3)CC2)c([N+](=O)[O-])c1	ZINC000910358494	857103185	/nfs/dbraw/zinc/10/31/85/857103185.db2.gz	YECHGSWDCOYDCX-DUXPYHPUSA-N	-1	1	361.398	1.994	20	10		FDCDMM
CCOc1ccc(C(=O)NCC(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1	ZINC000916590775	881787315	/nfs/dbraw/zinc/78/73/15/881787315.db2.gz	NWLAXCYRGRQXGG-UHFFFAOYSA-N	-1	1	373.361	1.652	20	10		FDCDMM
O=C(COC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)c1ccc([O-])c(O)c1	ZINC000916595422	881797655	/nfs/dbraw/zinc/79/76/55/881797655.db2.gz	HVFJXZCPANTZSW-LBPRGKRZSA-N	-1	1	359.334	1.465	20	10		FDCDMM
COCCN1C(=O)C(=CNc2ccc(Cl)cc2F)C(=O)[N-]C1=S	ZINC000920975926	887360969	/nfs/dbraw/zinc/36/09/69/887360969.db2.gz	LDEMPPRWIWCDAM-VQHVLOKHSA-N	-1	1	357.794	1.665	20	10		FDCDMM
C[C@@H]1COCCN1CCNC(=O)NCc1cccc(Br)c1[O-]	ZINC000764790294	905693807	/nfs/dbraw/zinc/69/38/07/905693807.db2.gz	JLEVPGBJDDJPCW-LLVKDONJSA-N	-1	1	372.263	1.675	20	10		FDCDMM
Cc1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cc1C(N)=O	ZINC000769759964	929645517	/nfs/dbraw/zinc/64/55/17/929645517.db2.gz	VOMOFLLNMMKPQP-UHFFFAOYSA-N	-1	1	363.395	1.423	20	10		FDCDMM
O=C(c1cccc(O)c1)N1CCN(C(=O)c2c([O-])c(O)ccc2F)CC1	ZINC000789989653	933290374	/nfs/dbraw/zinc/29/03/74/933290374.db2.gz	KOHRSHDOTWOTMX-UHFFFAOYSA-N	-1	1	360.341	1.541	20	10		FDCDMM
COc1ccc(OC)c([C@H](O)CNC(=O)c2c(F)ccc(O)c2[O-])c1	ZINC000790068818	933330632	/nfs/dbraw/zinc/33/06/32/933330632.db2.gz	BSLDBJKNPVOSHR-CYBMUJFWSA-N	-1	1	351.330	1.718	20	10		FDCDMM
CS(=O)(=O)NCC1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1	ZINC000809694107	940879259	/nfs/dbraw/zinc/87/92/59/940879259.db2.gz	JXCKNAKXGVPNIE-UHFFFAOYSA-N	-1	1	350.843	1.946	20	10		FDCDMM
Cc1onc(N)c1S(=O)(=O)[N-][C@@H](C)c1ccc(N2CCOCC2)cc1	ZINC000809810014	940900342	/nfs/dbraw/zinc/90/03/42/940900342.db2.gz	IFEUCTABTSCTAI-NSHDSACASA-N	-1	1	366.443	1.441	20	10		FDCDMM
CNC(=O)c1cc(S(=O)(=O)NCc2cccc(Cl)c2[O-])cn1C	ZINC001195882265	971305227	/nfs/dbraw/zinc/30/52/27/971305227.db2.gz	LXEHPEMOGKJIQT-UHFFFAOYSA-N	-1	1	357.819	1.222	20	10		FDCDMM
CCN1C[C@H](CNC(=O)NCc2cccc(Br)c2[O-])CC1=O	ZINC000845488987	949371302	/nfs/dbraw/zinc/37/13/02/949371302.db2.gz	BPLAKSURUBITRM-JTQLQIEISA-N	-1	1	370.247	1.822	20	10		FDCDMM
O=C(c1cc(=O)n(-c2ccccc2)[n-]1)N1C[C@H]2CN(CC3CC3)C[C@@H](C1)O2	ZINC001147885609	952557224	/nfs/dbraw/zinc/55/72/24/952557224.db2.gz	WJCWAYZNECFRSS-CALCHBBNSA-N	-1	1	368.437	1.101	20	10		FDCDMM
Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)N3CCC4(COC4)C3)cc12	ZINC001184358968	963541241	/nfs/dbraw/zinc/54/12/41/963541241.db2.gz	GXMZUIIJAFTROE-UHFFFAOYSA-N	-1	1	372.421	1.488	20	10		FDCDMM
Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)N3CC[C@@H](O)C[C@H]3C)cc12	ZINC001184360404	963541629	/nfs/dbraw/zinc/54/16/29/963541629.db2.gz	YSXXHMISFJZZIC-UKRRQHHQSA-N	-1	1	374.437	1.611	20	10		FDCDMM
CCC1(CNC(=O)CN(C)Cc2cc3c(C)cc(=O)oc3cc2[O-])COC1	ZINC001184361478	963543375	/nfs/dbraw/zinc/54/33/75/963543375.db2.gz	HOYHXCZRXCVMOH-UHFFFAOYSA-N	-1	1	374.437	1.782	20	10		FDCDMM
Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)N3CCCO[C@@H](C)C3)cc12	ZINC001184355061	963558995	/nfs/dbraw/zinc/55/89/95/963558995.db2.gz	OPHDXYHIUKRVFR-AWEZNQCLSA-N	-1	1	374.437	1.876	20	10		FDCDMM
COc1c([O-])c(CN2CCN(c3nc(N)ns3)CC2)ccc1[N+](=O)[O-]	ZINC000774911425	964030339	/nfs/dbraw/zinc/03/03/39/964030339.db2.gz	DAFRIXPOZLMVCD-UHFFFAOYSA-N	-1	1	366.403	1.065	20	10		FDCDMM
O=C(CNC(=O)c1cccnc1OC1CCOCC1)c1ccc([O-])c(O)c1	ZINC001192150531	968969687	/nfs/dbraw/zinc/96/96/87/968969687.db2.gz	AYHFCKVWPBLRAC-UHFFFAOYSA-N	-1	1	372.377	1.663	20	10		FDCDMM
COC(=O)[C@H]1C[C@@H]1c1ccc(C(=O)NCC(=O)c2ccc([O-])c(O)c2)cc1	ZINC001192213057	968996986	/nfs/dbraw/zinc/99/69/86/968996986.db2.gz	ZVTAJRLDTSIQQM-CABCVRRESA-N	-1	1	369.373	1.987	20	10		FDCDMM
CCOC(=O)[C@H]1CCN(C(=O)c2ccc(O)c([O-])c2Cl)CCC1=O	ZINC001193226019	969594338	/nfs/dbraw/zinc/59/43/38/969594338.db2.gz	WIFMXAAPXMWGJD-VIFPVBQESA-N	-1	1	355.774	1.736	20	10		FDCDMM
CC[S@@](C)(=O)=NS(=O)(=O)[N-]Cc1cc(Br)ccc1O	ZINC000867266489	973110392	/nfs/dbraw/zinc/11/03/92/973110392.db2.gz	RMXSITWZAPMHRS-GOSISDBHSA-N	-1	1	371.278	1.607	20	10		FDCDMM
COC(=O)c1cc(O)ccc1NS(=O)(=O)c1ccccc1C(=O)[O-]	ZINC001198778175	973512542	/nfs/dbraw/zinc/51/25/42/973512542.db2.gz	BUJDDPYRDVCINQ-UHFFFAOYSA-N	-1	1	351.336	1.678	20	10		FDCDMM
CC[S@](C)(=O)=NS(=O)(=O)[N-][C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000867496646	976253835	/nfs/dbraw/zinc/25/38/35/976253835.db2.gz	GJSYZNMPHMUSTQ-IPQOISQHSA-N	-1	1	361.489	1.226	20	10		FDCDMM
O=C(/C=C/CN1CCOCC1)NCc1cccc(Br)c1[O-]	ZINC000867832426	976958557	/nfs/dbraw/zinc/95/85/57/976958557.db2.gz	MPGBOEDDXXTXMD-GORDUTHDSA-N	-1	1	355.232	1.659	20	10		FDCDMM
O=S(=O)([N-]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1ccns1	ZINC000885024288	985103766	/nfs/dbraw/zinc/10/37/66/985103766.db2.gz	WQZUZZIIOAIGDL-UHFFFAOYSA-N	-1	1	371.459	1.722	20	10		FDCDMM
Cc1cc(N(C)C)ccc1CNC(=O)N1CC(C[N-]C(=O)C(F)(F)F)C1	ZINC000875301115	991282253	/nfs/dbraw/zinc/28/22/53/991282253.db2.gz	MIQBWPRJLSILTG-UHFFFAOYSA-N	-1	1	372.391	1.881	20	10		FDCDMM
CN(C)c1ccc2c(c1)OCCN2C(=O)/N=c1/ccnc2n(C)[n-]cc1-2	ZINC000286982531	999953830	/nfs/dbraw/zinc/95/38/30/999953830.db2.gz	AFDCAXIJRXITCZ-STZFKDTASA-N	-1	1	352.398	1.839	20	10		FDCDMM
COCCN1C(=O)C(=CNc2cccc([N+](=O)[O-])c2C)C(=O)[N-]C1=S	ZINC000060862581	522421442	/nfs/dbraw/zinc/42/14/42/522421442.db2.gz	CLCAGGJVKVXYRE-NTMALXAHSA-N	-1	1	364.383	1.089	20	10		FDCDMM
C[N-]S(=O)(=O)c1ccc(C(=O)NCc2c(O)ccc3c2CCCC3)o1	ZINC000075159665	522886786	/nfs/dbraw/zinc/88/67/86/522886786.db2.gz	DRMYXFHXMAWFBN-UHFFFAOYSA-N	-1	1	364.423	1.702	20	10		FDCDMM
CC(C)(O)c1cnc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])s1	ZINC000290500929	537363980	/nfs/dbraw/zinc/36/39/80/537363980.db2.gz	IVEBJMFBAJCASN-UHFFFAOYSA-N	-1	1	371.440	1.700	20	10		FDCDMM
COc1ccc(CN2CC[C@H](NC(=O)c3c(F)ccc(O)c3[O-])C2=O)cc1	ZINC000295312040	537712008	/nfs/dbraw/zinc/71/20/08/537712008.db2.gz	RWYKNJHNHHTUTI-AWEZNQCLSA-N	-1	1	374.368	1.776	20	10		FDCDMM
COc1ccc(N2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)cc1F	ZINC000821831702	606634074	/nfs/dbraw/zinc/63/40/74/606634074.db2.gz	JXMNMYGYGGVUAD-UHFFFAOYSA-N	-1	1	355.377	1.736	20	10		FDCDMM
COc1ccc(N2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)cc1F	ZINC000821831702	606634075	/nfs/dbraw/zinc/63/40/75/606634075.db2.gz	JXMNMYGYGGVUAD-UHFFFAOYSA-N	-1	1	355.377	1.736	20	10		FDCDMM
Cc1oc(NC(=O)CN(C)c2ccc3c(c2)OCO3)c(-c2nn[n-]n2)c1C	ZINC000826341932	607927675	/nfs/dbraw/zinc/92/76/75/607927675.db2.gz	SYHBOEZZDRCQDA-UHFFFAOYSA-N	-1	1	370.369	1.880	20	10		FDCDMM
c1cc(N2CCSCC2)ccc1CNc1ccc(-c2nnn[n-]2)nn1	ZINC000826516958	607989506	/nfs/dbraw/zinc/98/95/06/607989506.db2.gz	JYWNHEDIXQOYGF-UHFFFAOYSA-N	-1	1	354.443	1.822	20	10		FDCDMM
c1cc(N2CCSCC2)ccc1CNc1ccc(-c2nn[n-]n2)nn1	ZINC000826516958	607989507	/nfs/dbraw/zinc/98/95/07/607989507.db2.gz	JYWNHEDIXQOYGF-UHFFFAOYSA-N	-1	1	354.443	1.822	20	10		FDCDMM
CC(C)OCCS(=O)(=O)NCc1cccc(Br)c1[O-]	ZINC000277443683	674944228	/nfs/dbraw/zinc/94/42/28/674944228.db2.gz	FGVMVSJQBBTRLP-UHFFFAOYSA-N	-1	1	352.250	1.999	20	10		FDCDMM
Cc1ccc(C)n1-c1ccsc1C(=O)Nc1nc(S(C)(=O)=O)n[n-]1	ZINC000113421759	671646683	/nfs/dbraw/zinc/64/66/83/671646683.db2.gz	CPYRGVXCSQEZMB-UHFFFAOYSA-N	-1	1	365.440	1.930	20	10		FDCDMM
Cc1ccc(C)n1-c1ccsc1C(=O)Nc1nnc(S(C)(=O)=O)[n-]1	ZINC000113421759	671646685	/nfs/dbraw/zinc/64/66/85/671646685.db2.gz	CPYRGVXCSQEZMB-UHFFFAOYSA-N	-1	1	365.440	1.930	20	10		FDCDMM
O=S(=O)(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)[C@H]1CCOC1	ZINC000378235472	678723884	/nfs/dbraw/zinc/72/38/84/678723884.db2.gz	RCIUJEVACWJRIV-CABCVRRESA-N	-1	1	374.890	1.718	20	10		FDCDMM
CC1(C)NC(=O)N(CCCC(=O)NCc2cccc(Cl)c2[O-])C1=O	ZINC000890758108	771590967	/nfs/dbraw/zinc/59/09/67/771590967.db2.gz	RMSKGTJKLMOQRE-UHFFFAOYSA-N	-1	1	353.806	1.772	20	10		FDCDMM
O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)OCC(=O)c1ccc([O-])c(O)c1	ZINC000782888384	788471284	/nfs/dbraw/zinc/47/12/84/788471284.db2.gz	WPOAZNBRVKESDE-UHFFFAOYSA-N	-1	1	371.305	1.782	20	10		FDCDMM
COCn1nc(C)c(S(=O)(=O)NCc2cccc(Cl)c2[O-])c1C	ZINC000908327462	855339752	/nfs/dbraw/zinc/33/97/52/855339752.db2.gz	IZMYGWGXIVHFKD-UHFFFAOYSA-N	-1	1	359.835	1.941	20	10		FDCDMM
COc1ccc(C(=O)NCC(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1	ZINC000916621656	881839339	/nfs/dbraw/zinc/83/93/39/881839339.db2.gz	GGTDRTHXSVXANK-UHFFFAOYSA-N	-1	1	359.334	1.262	20	10		FDCDMM
Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2	ZINC000763286542	880357874	/nfs/dbraw/zinc/35/78/74/880357874.db2.gz	JAPPTORFPPBUEW-UHFFFAOYSA-N	-1	1	353.421	1.831	20	10		FDCDMM
Cn1nnc2cc(C(=O)NCc3cccc(Br)c3[O-])cnc21	ZINC000765727406	908322878	/nfs/dbraw/zinc/32/28/78/908322878.db2.gz	NVNVJSIEZSORRR-UHFFFAOYSA-N	-1	1	362.187	1.761	20	10		FDCDMM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(CCO)cc2)c1	ZINC000769974551	929776934	/nfs/dbraw/zinc/77/69/34/929776934.db2.gz	OHCCTZNYRVSSCY-UHFFFAOYSA-N	-1	1	350.396	1.551	20	10		FDCDMM
COC(=O)c1cncc(S(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)c1	ZINC000788492204	932714740	/nfs/dbraw/zinc/71/47/40/932714740.db2.gz	UTKPGXNKGIODGA-UHFFFAOYSA-N	-1	1	352.324	1.073	20	10		FDCDMM
Cc1nc2c(c(=O)[nH]n2C)c(C)c1CNC(=O)c1c(F)ccc(O)c1[O-]	ZINC000789978109	933281799	/nfs/dbraw/zinc/28/17/99/933281799.db2.gz	HBBGOSASBXLWKG-UHFFFAOYSA-N	-1	1	360.345	1.771	20	10		FDCDMM
COc1c([O-])c(CN2CCCC[C@H]2CS(C)(=O)=O)ccc1[N+](=O)[O-]	ZINC000824913609	946855769	/nfs/dbraw/zinc/85/57/69/946855769.db2.gz	CIEUXRJONDONHV-LBPRGKRZSA-N	-1	1	358.416	1.708	20	10		FDCDMM
O=C([O-])c1cnn2c1[nH]c(CN1CC[C@H](Oc3ccccc3)C1)cc2=O	ZINC000846257552	950808552	/nfs/dbraw/zinc/80/85/52/950808552.db2.gz	CQEKKQRMVMJRIE-AWEZNQCLSA-N	-1	1	354.366	1.786	20	10		FDCDMM
CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)c2cccc(O)c2O)n1	ZINC000846644390	951401983	/nfs/dbraw/zinc/40/19/83/951401983.db2.gz	WXTDCOKRIDFHTJ-LLVKDONJSA-N	-1	1	362.386	1.910	20	10		FDCDMM
Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)N3CCCC34COC4)cc12	ZINC001184358931	963542155	/nfs/dbraw/zinc/54/21/55/963542155.db2.gz	FSEOLACEOLCBMD-UHFFFAOYSA-N	-1	1	372.421	1.630	20	10		FDCDMM
COc1c([O-])c(CN2CCS(=O)(=O)[C@@H]3CCCC[C@H]32)ccc1[N+](=O)[O-]	ZINC000774888606	963970836	/nfs/dbraw/zinc/97/08/36/963970836.db2.gz	RKODBLLOWPCIEE-TZMCWYRMSA-N	-1	1	370.427	1.851	20	10		FDCDMM
O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[C@H](Cc2nn[n-]n2)C1	ZINC001177870032	963986717	/nfs/dbraw/zinc/98/67/17/963986717.db2.gz	GZOJFLHAHRQHHC-SECBINFHSA-N	-1	1	359.411	1.921	20	10		FDCDMM
COC(=O)[C@H](COC(C)C)N(C)Cc1ccc([N+](=O)[O-])c(OC)c1[O-]	ZINC000774911737	964040166	/nfs/dbraw/zinc/04/01/66/964040166.db2.gz	JLVKYONXBZQVPE-ZDUSSCGKSA-N	-1	1	356.375	1.707	20	10		FDCDMM
CON(C)C[C@@H](O)Cn1cc(NCc2cc(Cl)c(F)cc2[O-])cn1	ZINC001180787098	965555683	/nfs/dbraw/zinc/55/56/83/965555683.db2.gz	MDJNXTRHYHBOFE-GFCCVEGCSA-N	-1	1	358.801	1.847	20	10		FDCDMM
COc1ccc(Cl)c(S(=O)(=O)NCC(=O)c2ccc([O-])c(O)c2)c1	ZINC001189634083	967130633	/nfs/dbraw/zinc/13/06/33/967130633.db2.gz	SGEOMOAXYNLVGA-UHFFFAOYSA-N	-1	1	371.798	1.921	20	10		FDCDMM
Cc1c(C(=O)NCC(=O)c2ccc([O-])c(O)c2)nnn1-c1ccc(F)cc1	ZINC001189938129	967438814	/nfs/dbraw/zinc/43/88/14/967438814.db2.gz	YLTKFICDQFTVJW-UHFFFAOYSA-N	-1	1	370.340	1.739	20	10		FDCDMM
O=C(NCCc1cc(O)c(O)cc1O)c1cnc(-c2ccccn2)[n-]c1=O	ZINC001190628989	967992195	/nfs/dbraw/zinc/99/21/95/967992195.db2.gz	HZBXVYAOHLULCB-UHFFFAOYSA-N	-1	1	368.349	1.334	20	10		FDCDMM
CC(=O)c1cc(Cl)cc(CN2CCN(Cc3nnc(C)[nH]3)CC2)c1[O-]	ZINC000775988567	974364233	/nfs/dbraw/zinc/36/42/33/974364233.db2.gz	BOMKKFCDMXXNSW-UHFFFAOYSA-N	-1	1	363.849	1.993	20	10		FDCDMM
COc1c([O-])c(CN2Cc3ccccc3C[C@@H]2C(N)=O)ccc1[N+](=O)[O-]	ZINC000365116810	990039312	/nfs/dbraw/zinc/03/93/12/990039312.db2.gz	AJKOAAOWUYNAJS-OAHLLOKOSA-N	-1	1	357.366	1.721	20	10		FDCDMM
O=S(=O)(NC[C@@H]1CCCN(Cc2ccc(F)c(F)c2[O-])C1)C1CC1	ZINC000877534342	993324797	/nfs/dbraw/zinc/32/47/97/993324797.db2.gz	GFDPORCKQKQIGU-NSHDSACASA-N	-1	1	360.426	1.964	20	10		FDCDMM
COC(=O)[C@H]1C[N@H+](Cc2cc(Cl)cc(C(C)=O)c2[O-])C[C@H]1C(=O)[O-]	ZINC001598824491	996366952	/nfs/dbraw/zinc/36/69/52/996366952.db2.gz	AGCFYTSGPPCZAZ-OLZOCXBDSA-N	-1	1	355.774	1.554	20	10		FDCDMM
COC(=O)[C@H]1C[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2[O-])C[C@H]1C(=O)[O-]	ZINC001598824491	996366956	/nfs/dbraw/zinc/36/69/56/996366956.db2.gz	AGCFYTSGPPCZAZ-OLZOCXBDSA-N	-1	1	355.774	1.554	20	10		FDCDMM
COC(=O)c1cc(O)ccc1NS(=O)(=O)CC1(C(=O)[O-])CCCCC1	ZINC001598950423	998140423	/nfs/dbraw/zinc/14/04/23/998140423.db2.gz	XNAHZICWHDCGTO-UHFFFAOYSA-N	-1	1	371.411	1.956	20	10		FDCDMM
COc1c([O-])c(CN2CCN(Cc3cc(C)on3)CC2)ccc1[N+](=O)[O-]	ZINC000278149381	537265754	/nfs/dbraw/zinc/26/57/54/537265754.db2.gz	CCQWZDMNDAIAMT-UHFFFAOYSA-N	-1	1	362.386	1.923	20	10		FDCDMM
CCn1cnnc1CNC(=O)NCc1cccc(Br)c1[O-]	ZINC000278482159	537335621	/nfs/dbraw/zinc/33/56/21/537335621.db2.gz	XXJZRPDOAPCNKO-UHFFFAOYSA-N	-1	1	354.208	1.766	20	10		FDCDMM
C[C@@H]1CN(c2ccc(CNC(=O)c3c(F)ccc(O)c3[O-])cn2)CCO1	ZINC000276491550	537546985	/nfs/dbraw/zinc/54/69/85/537546985.db2.gz	AREBQBMAZJUSQK-LLVKDONJSA-N	-1	1	361.373	1.787	20	10		FDCDMM
CC(=O)NCC[N@@H+](Cc1cccc(Br)c1[O-])[C@@H](C)C(=O)[O-]	ZINC000819780835	597703836	/nfs/dbraw/zinc/70/38/36/597703836.db2.gz	MTJDURDOKQHGOB-VIFPVBQESA-N	-1	1	359.220	1.566	20	10		FDCDMM
CN(Cc1ccc(N2CCOCC2)cc1)c1cccc(-c2nnn[n-]2)n1	ZINC000736820586	599399502	/nfs/dbraw/zinc/39/95/02/599399502.db2.gz	YRDRVWDVIFFNOQ-UHFFFAOYSA-N	-1	1	351.414	1.735	20	10		FDCDMM
CN(Cc1ccc(N2CCOCC2)cc1)c1cccc(-c2nn[n-]n2)n1	ZINC000736820586	599399505	/nfs/dbraw/zinc/39/95/05/599399505.db2.gz	YRDRVWDVIFFNOQ-UHFFFAOYSA-N	-1	1	351.414	1.735	20	10		FDCDMM
C[C@@H](Oc1ccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc1)C(=O)[O-]	ZINC000006824103	602110612	/nfs/dbraw/zinc/11/06/12/602110612.db2.gz	PKBBOADCCAHTAD-PILJQMSFSA-N	-1	1	352.346	2.000	20	10		FDCDMM
O=C(NCCNC(=O)C1CC1)NCc1cccc(Br)c1[O-]	ZINC000277433005	674941792	/nfs/dbraw/zinc/94/17/92/674941792.db2.gz	MBXAKJHGBODZSG-UHFFFAOYSA-N	-1	1	356.220	1.480	20	10		FDCDMM
COCCOCCS(=O)(=O)NCc1cccc(Br)c1[O-]	ZINC000277555635	674966453	/nfs/dbraw/zinc/96/64/53/674966453.db2.gz	ZZEKFYXDMDDTPM-UHFFFAOYSA-N	-1	1	368.249	1.237	20	10		FDCDMM
COCCO[C@@H]1C[C@@H](CO)CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1	ZINC000278709571	675183735	/nfs/dbraw/zinc/18/37/35/675183735.db2.gz	OLLMKQSEPYXROB-BXUZGUMPSA-N	-1	1	374.821	1.800	20	10		FDCDMM
CS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1	ZINC000294781364	676397204	/nfs/dbraw/zinc/39/72/04/676397204.db2.gz	BSLDZULRBVDKRC-JTQLQIEISA-N	-1	1	350.843	1.946	20	10		FDCDMM
CCOC(=O)c1csc(CCNC(=O)c2c(F)ccc(O)c2[O-])n1	ZINC000296745514	676420529	/nfs/dbraw/zinc/42/05/29/676420529.db2.gz	PEAPWDWAJVCXOJ-UHFFFAOYSA-N	-1	1	354.359	1.843	20	10		FDCDMM
O=C(NCc1cccc(Cl)c1[O-])[C@@H]1CNC(=O)C[C@@H]1C(F)(F)F	ZINC000890763459	771650876	/nfs/dbraw/zinc/65/08/76/771650876.db2.gz	WVJDKXDTJUJOHK-BDAKNGLRSA-N	-1	1	350.724	1.976	20	10		FDCDMM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2ccc3oc(=O)[nH]c3c2)c1	ZINC000728603872	784076192	/nfs/dbraw/zinc/07/61/92/784076192.db2.gz	WVQCFWULJYQNTM-UHFFFAOYSA-N	-1	1	363.351	1.863	20	10		FDCDMM
O=C(COc1ccccc1)N1CC[C@@H](NC(=O)c2c(F)ccc(O)c2[O-])C1	ZINC000296171858	817914781	/nfs/dbraw/zinc/91/47/81/817914781.db2.gz	UYIJNLCXXWOLCN-GFCCVEGCSA-N	-1	1	374.368	1.647	20	10		FDCDMM
CC(C)(C)OC(=O)N1CCN(Cc2cc(F)c(F)cc2[O-])C[C@@H]1C(N)=O	ZINC001142525137	840628021	/nfs/dbraw/zinc/62/80/21/840628021.db2.gz	ZACCTLQBBHEKSC-CYBMUJFWSA-N	-1	1	371.384	1.577	20	10		FDCDMM
O=S(=O)(NCc1cccc(Cl)c1[O-])c1cnn([C@@H]2CCOC2)c1	ZINC000908327963	855339713	/nfs/dbraw/zinc/33/97/13/855339713.db2.gz	LKQOETIXHIDUFF-LLVKDONJSA-N	-1	1	357.819	1.682	20	10		FDCDMM
CS(=O)(=O)c1cc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)cs1	ZINC000784466743	874147606	/nfs/dbraw/zinc/14/76/06/874147606.db2.gz	WTHJYSSOXHLFFZ-UHFFFAOYSA-N	-1	1	356.377	1.603	20	10		FDCDMM
CNC(=O)[C@H]1CCC[C@H]1NC(=O)NCc1cccc(Br)c1[O-]	ZINC000764799886	905700997	/nfs/dbraw/zinc/70/09/97/905700997.db2.gz	MWBLFCIWIIVCSJ-CMPLNLGQSA-N	-1	1	370.247	1.869	20	10		FDCDMM
Cc1n[nH]c(C)c1S(=O)(=O)NCc1cccc(Br)c1[O-]	ZINC000766200614	922522606	/nfs/dbraw/zinc/52/26/06/922522606.db2.gz	MUFSNISYMBMSRP-UHFFFAOYSA-N	-1	1	360.233	1.973	20	10		FDCDMM
CN1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c2ccccc21	ZINC000769817375	929698350	/nfs/dbraw/zinc/69/83/50/929698350.db2.gz	QVTWCPIAECKVOD-UHFFFAOYSA-N	-1	1	361.423	1.860	20	10		FDCDMM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2nc(C(F)(F)F)c[nH]2)c1	ZINC000771045518	930429983	/nfs/dbraw/zinc/42/99/83/930429983.db2.gz	BEXOAOWIZUJAMH-UHFFFAOYSA-N	-1	1	364.305	1.758	20	10		FDCDMM
CCCS(=O)(=O)N1CCC(NC(=O)c2c(F)ccc(O)c2[O-])CC1	ZINC000825460939	947259023	/nfs/dbraw/zinc/25/90/23/947259023.db2.gz	MBUNXYLDGVBRJU-UHFFFAOYSA-N	-1	1	360.407	1.171	20	10		FDCDMM
COC(=O)c1ccccc1CCC(=O)NCC(=O)c1ccc([O-])c(O)c1	ZINC001181161701	960588345	/nfs/dbraw/zinc/58/83/45/960588345.db2.gz	YTDSULLXOUQKBN-UHFFFAOYSA-N	-1	1	357.362	1.816	20	10		FDCDMM
Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NCc1cccc(O)c1O	ZINC001176565285	963474584	/nfs/dbraw/zinc/47/45/84/963474584.db2.gz	IZTMCENJCKVIEM-UHFFFAOYSA-N	-1	1	366.377	1.823	20	10		FDCDMM
Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)NCCn3cccc3)cc12	ZINC001184360975	963541818	/nfs/dbraw/zinc/54/18/18/963541818.db2.gz	BXYKOPLGWQPAGY-UHFFFAOYSA-N	-1	1	369.421	1.857	20	10		FDCDMM
Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)N[C@@H]3CCO[C@@H](C)C3)cc12	ZINC001184359300	963541896	/nfs/dbraw/zinc/54/18/96/963541896.db2.gz	DANNWWSYOTVZPK-DZGCQCFKSA-N	-1	1	374.437	1.923	20	10		FDCDMM
Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)N[C@@H]3CCC[C@@H]3O)cc12	ZINC001184361637	963543114	/nfs/dbraw/zinc/54/31/14/963543114.db2.gz	JXRLRYIQTAPOBA-CABCVRRESA-N	-1	1	360.410	1.268	20	10		FDCDMM
O=C(CN1C[C@H](c2ccccc2)CC1=O)NCC(=O)c1ccc([O-])c(O)c1	ZINC001180314140	965213064	/nfs/dbraw/zinc/21/30/64/965213064.db2.gz	VVWDAINYUAXBMA-OAHLLOKOSA-N	-1	1	368.389	1.413	20	10		FDCDMM
CN(CC(=O)NCc1cccc(Cl)c1[O-])S(=O)(=O)c1ccccc1	ZINC001180410458	965316732	/nfs/dbraw/zinc/31/67/32/965316732.db2.gz	QFZUPRFLIWQPTE-UHFFFAOYSA-N	-1	1	368.842	1.983	20	10		FDCDMM
COC[C@@H]1CN(C(=O)c2ccc(O)c([O-])c2Cl)Cc2cn(C)nc21	ZINC001193225475	969594387	/nfs/dbraw/zinc/59/43/87/969594387.db2.gz	NNBUCAMBXRVTCJ-JTQLQIEISA-N	-1	1	351.790	1.871	20	10		FDCDMM
COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(O)c(C(=O)[O-])c1	ZINC000794865095	974438822	/nfs/dbraw/zinc/43/88/22/974438822.db2.gz	HZPUDIFKKWVAGZ-UHFFFAOYSA-N	-1	1	368.323	1.808	20	10		FDCDMM
COc1cc(S(=O)(=O)Nc2ccc(O)cc2C(=O)[O-])cnc1Cl	ZINC000776434692	978748860	/nfs/dbraw/zinc/74/88/60/978748860.db2.gz	JYGVJBANCGUEHR-UHFFFAOYSA-N	-1	1	358.759	1.948	20	10		FDCDMM
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CCCc2nn[n-]n2)cc1	ZINC000874253910	989987633	/nfs/dbraw/zinc/98/76/33/989987633.db2.gz	BECJCXRKQMEPQX-QGZVFWFLSA-N	-1	1	372.473	1.796	20	10		FDCDMM
Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)cc1	ZINC000370891610	990098004	/nfs/dbraw/zinc/09/80/04/990098004.db2.gz	KTSNKTCBWUHVAD-MRXNPFEDSA-N	-1	1	352.398	1.821	20	10		FDCDMM
C[C@H]1CN(Cc2ccc(F)c(F)c2[O-])CCN1c1nccn2cnnc12	ZINC000876798848	992918691	/nfs/dbraw/zinc/91/86/91/992918691.db2.gz	QCSWKENEPCNKTJ-NSHDSACASA-N	-1	1	360.368	1.819	20	10		FDCDMM
COc1ccc(N2CCN(C(=O)CN[C@](C)(CCF)C(=O)[O-])CC2)cc1	ZINC001599585694	993610027	/nfs/dbraw/zinc/61/00/27/993610027.db2.gz	WJHMVHBKKZTOKG-GOSISDBHSA-N	-1	1	367.421	1.136	20	10		FDCDMM
CCn1c(SCC(=O)c2ccc([O-])c(O)c2)nnc1N1CCOCC1	ZINC000008249727	518465886	/nfs/dbraw/zinc/46/58/86/518465886.db2.gz	GJZMCARTPKKCKP-UHFFFAOYSA-N	-1	1	364.427	1.521	20	10		FDCDMM
COCCN1C(=O)C(=CNCc2ccc(Cl)cc2)C(=O)[N-]C1=S	ZINC000060860436	522421509	/nfs/dbraw/zinc/42/15/09/522421509.db2.gz	KMQRMBCOHOWNGE-XFXZXTDPSA-N	-1	1	353.831	1.203	20	10		FDCDMM
CC(=O)c1cc(Cl)cc(CN2CCCN(S(C)(=O)=O)CC2)c1[O-]	ZINC000177245249	525258947	/nfs/dbraw/zinc/25/89/47/525258947.db2.gz	SBOGXWZKQRIMCH-UHFFFAOYSA-N	-1	1	360.863	1.716	20	10		FDCDMM
COc1c([O-])c(CN2CCN(C(=O)[C@@H]3CCCO3)CC2)ccc1[N+](=O)[O-]	ZINC000278316904	537297768	/nfs/dbraw/zinc/29/77/68/537297768.db2.gz	XQGSJLHTBHEBSG-AWEZNQCLSA-N	-1	1	365.386	1.132	20	10		FDCDMM
CC(=O)NCC[N@@H+](Cc1cccc(Br)c1[O-])[C@H](C)C(=O)[O-]	ZINC000819780834	597703905	/nfs/dbraw/zinc/70/39/05/597703905.db2.gz	MTJDURDOKQHGOB-SECBINFHSA-N	-1	1	359.220	1.566	20	10		FDCDMM
CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@@H+](CC(=O)[O-])C2CC2)c1	ZINC000737548635	601377247	/nfs/dbraw/zinc/37/72/47/601377247.db2.gz	MQGXYNFMQGAIEG-UHFFFAOYSA-N	-1	1	362.426	1.476	20	10		FDCDMM
CN(C)c1ccc(CN(C)C(=O)CN2CCSC[C@H]2CC(=O)[O-])cc1	ZINC000830831417	601918387	/nfs/dbraw/zinc/91/83/87/601918387.db2.gz	XHTMFLBENUMESY-MRXNPFEDSA-N	-1	1	365.499	1.603	20	10		FDCDMM
CCN1CCN(c2ccc(CNC(=O)C3(NC(=O)[O-])CC3)cc2F)CC1	ZINC000827228664	604456051	/nfs/dbraw/zinc/45/60/51/604456051.db2.gz	QPWPQROWFHOWGH-UHFFFAOYSA-N	-1	1	364.421	1.384	20	10		FDCDMM
O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc(-c2nnn[n-]2)s1	ZINC000823254345	606531805	/nfs/dbraw/zinc/53/18/05/606531805.db2.gz	SLUNKUJZGNXTHR-UHFFFAOYSA-N	-1	1	370.438	1.695	20	10		FDCDMM
O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc(-c2nn[n-]n2)s1	ZINC000823254345	606531806	/nfs/dbraw/zinc/53/18/06/606531806.db2.gz	SLUNKUJZGNXTHR-UHFFFAOYSA-N	-1	1	370.438	1.695	20	10		FDCDMM
C[C@@H](Cn1cncn1)NC(=O)NCc1cccc(Br)c1[O-]	ZINC000277330211	674917861	/nfs/dbraw/zinc/91/78/61/674917861.db2.gz	FBHGFNMVVYENDN-VIFPVBQESA-N	-1	1	354.208	1.634	20	10		FDCDMM
O=C(NCc1cccc(Br)c1[O-])N[C@H]1CCCCNC1=O	ZINC000277428490	674940870	/nfs/dbraw/zinc/94/08/70/674940870.db2.gz	LSZWIOZIIHYCPF-NSHDSACASA-N	-1	1	356.220	1.623	20	10		FDCDMM
CCCC[C@@H](NC(N)=O)C(=O)NCc1cccc(Br)c1[O-]	ZINC000277449257	674945314	/nfs/dbraw/zinc/94/53/14/674945314.db2.gz	FZKPQRTYGMQRHY-LLVKDONJSA-N	-1	1	358.236	1.998	20	10		FDCDMM
O=C(NCC(=O)N1CCCCC1)NCc1cccc(Br)c1[O-]	ZINC000277611493	674979032	/nfs/dbraw/zinc/97/90/32/674979032.db2.gz	VSNUMQZPWPVDLF-UHFFFAOYSA-N	-1	1	370.247	1.966	20	10		FDCDMM
CCn1cc([C@@H]2CS(=O)(=O)CCN2Cc2cccc(F)c2[O-])cn1	ZINC000290597408	676216406	/nfs/dbraw/zinc/21/64/06/676216406.db2.gz	VRSLEOFABHACEZ-HNNXBMFYSA-N	-1	1	353.419	1.719	20	10		FDCDMM
CC(C)CN1C(=O)C(=CNNc2cccc(Cl)n2)C(=O)[N-]C1=S	ZINC000292105994	676283975	/nfs/dbraw/zinc/28/39/75/676283975.db2.gz	ZXKCZTXVYYQUOK-TWGQIWQCSA-N	-1	1	353.835	1.435	20	10		FDCDMM
O=C(NCC(F)(F)F)[C@@H]1CCN(C(=O)c2c(F)ccc(O)c2[O-])C1	ZINC000295654288	676408665	/nfs/dbraw/zinc/40/86/65/676408665.db2.gz	DHNRDUPWKXFMKQ-SSDOTTSWSA-N	-1	1	350.268	1.378	20	10		FDCDMM
O=C(NCc1cccc(Cl)c1[O-])[C@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F	ZINC000890761085	771614198	/nfs/dbraw/zinc/61/41/98/771614198.db2.gz	KKZHHOFZLIVMAR-IUCAKERBSA-N	-1	1	371.764	1.885	20	10		FDCDMM
O=C(NCc1cccc(Cl)c1[O-])[C@H]1CNC(=O)C[C@@H]1C(F)(F)F	ZINC000890763465	771652163	/nfs/dbraw/zinc/65/21/63/771652163.db2.gz	WVJDKXDTJUJOHK-IUCAKERBSA-N	-1	1	350.724	1.976	20	10		FDCDMM
COc1ccc(C[N-]S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)c(O)c1	ZINC001211647904	789547601	/nfs/dbraw/zinc/54/76/01/789547601.db2.gz	CBECXVHBODBVIB-NRFANRHFSA-N	-1	1	350.462	1.632	20	10		FDCDMM
COC(=O)c1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O	ZINC000785396010	815312947	/nfs/dbraw/zinc/31/29/47/815312947.db2.gz	DYIFRTXHANYXAL-UHFFFAOYSA-N	-1	1	352.324	1.888	20	10		FDCDMM
CS(=O)(=O)N1CCC[C@@H]1CNC(=O)NCc1cccc(Cl)c1[O-]	ZINC000893819969	809756389	/nfs/dbraw/zinc/75/63/89/809756389.db2.gz	XIFRCLLKYVPFKZ-LLVKDONJSA-N	-1	1	361.851	1.269	20	10		FDCDMM
O=C(NCc1ccc(N2CCOCC2)c(F)c1)C(=O)c1ccc([O-])cc1	ZINC000280665086	811892860	/nfs/dbraw/zinc/89/28/60/811892860.db2.gz	BADMLONDNMDTOO-UHFFFAOYSA-N	-1	1	358.369	1.867	20	10		FDCDMM
COCCO[C@H]1COCC[C@@H]1NC(=O)NCc1cccc(Cl)c1[O-]	ZINC000894301379	815757639	/nfs/dbraw/zinc/75/76/39/815757639.db2.gz	NILMSYVDZFCUJF-KBPBESRZSA-N	-1	1	358.822	1.665	20	10		FDCDMM
Cc1cc(Br)c([O-])c(CN2CCn3nnc(CO)c3C2)c1	ZINC000894804777	818463280	/nfs/dbraw/zinc/46/32/80/818463280.db2.gz	HUDOOLXRWYRCIN-UHFFFAOYSA-N	-1	1	353.220	1.563	20	10		FDCDMM
CC(=O)NCc1ncn2c1CN(Cc1cc(F)c(F)cc1[O-])CCC2	ZINC001142520513	840449533	/nfs/dbraw/zinc/44/95/33/840449533.db2.gz	LFCUUYISODXAGR-UHFFFAOYSA-N	-1	1	350.369	1.909	20	10		FDCDMM
CN1CCN(c2ccc(CNC(=O)N3CCC[C@@H](C(=O)[O-])C3)cc2)CC1	ZINC000898859817	845341673	/nfs/dbraw/zinc/34/16/73/845341673.db2.gz	JRTXOQZKXNQZAT-MRXNPFEDSA-N	-1	1	360.458	1.445	20	10		FDCDMM
CC(C)[C@]1(C(=O)[O-])C[C@H]1C(=O)NCc1ccc(N2CCN(C)CC2)cc1	ZINC000899836453	846745660	/nfs/dbraw/zinc/74/56/60/846745660.db2.gz	VMYNDAOZNGOJMT-FXAWDEMLSA-N	-1	1	359.470	1.802	20	10		FDCDMM
CCN1CCN(CC(=O)N(CC(=O)[O-])Cc2cc(Cl)ccc2O)CC1	ZINC000911360615	858520224	/nfs/dbraw/zinc/52/02/24/858520224.db2.gz	WORAJABIULASSA-UHFFFAOYSA-N	-1	1	369.849	1.096	20	10		FDCDMM
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@]1(C(=O)[O-])CNCCO1	ZINC000911632411	858867221	/nfs/dbraw/zinc/86/72/21/858867221.db2.gz	HBKCSOZBWSXVGO-IBGZPJMESA-N	-1	1	361.442	1.079	20	10		FDCDMM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2cc(-c3ccncc3)[nH]n2)c1	ZINC000364138597	889435171	/nfs/dbraw/zinc/43/51/71/889435171.db2.gz	ZXMOERCAUUXBOS-UHFFFAOYSA-N	-1	1	373.394	1.801	20	10		FDCDMM
NS(=O)(=O)c1cnc(NCc2cccc(Br)c2[O-])s1	ZINC000764934826	906014266	/nfs/dbraw/zinc/01/42/66/906014266.db2.gz	NESULBWBXJLULB-UHFFFAOYSA-N	-1	1	364.246	1.871	20	10		FDCDMM
Cn1cc(C[C@@H](O)C(=O)NCc2cccc(Br)c2[O-])cn1	ZINC000765764453	909135250	/nfs/dbraw/zinc/13/52/50/909135250.db2.gz	KHGMHTYPGZQRGM-GFCCVEGCSA-N	-1	1	354.204	1.108	20	10		FDCDMM
CCn1nc(C(=O)NCc2cccc(Br)c2[O-])ccc1=O	ZINC000765770881	909456822	/nfs/dbraw/zinc/45/68/22/909456822.db2.gz	RTIOZJZAGSURTN-UHFFFAOYSA-N	-1	1	352.188	1.661	20	10		FDCDMM
O=C(CCn1cc[n-]c(=O)c1=O)NCc1ccc(N2CCCCC2)cc1	ZINC000727852907	911388761	/nfs/dbraw/zinc/38/87/61/911388761.db2.gz	JJTAGRCCCDTNBP-UHFFFAOYSA-N	-1	1	356.426	1.233	20	10		FDCDMM
Cn1cc(Br)c(C(=O)OCC(=O)c2ccc([O-])c(O)c2)n1	ZINC000814598896	941687667	/nfs/dbraw/zinc/68/76/67/941687667.db2.gz	QSHJQOBUAICCFM-UHFFFAOYSA-N	-1	1	355.144	1.634	20	10		FDCDMM
COCn1nc(C)c(S(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)c1C	ZINC000818049280	943167623	/nfs/dbraw/zinc/16/76/23/943167623.db2.gz	XQBIZTQDKKOASZ-UHFFFAOYSA-N	-1	1	355.372	1.308	20	10		FDCDMM
CS(=O)(=O)NC1(CNC(=O)c2c(F)ccc(O)c2[O-])CCCCC1	ZINC000824098404	946188859	/nfs/dbraw/zinc/18/88/59/946188859.db2.gz	LTFKFWZEAPHVRF-UHFFFAOYSA-N	-1	1	360.407	1.219	20	10		FDCDMM
COc1c([O-])c(CN2CCS(=O)(=O)[C@H]3CCC[C@@H]32)ccc1[N+](=O)[O-]	ZINC000825202244	947034551	/nfs/dbraw/zinc/03/45/51/947034551.db2.gz	QHQXCVHFAQLRSH-AAEUAGOBSA-N	-1	1	356.400	1.461	20	10		FDCDMM
O=C(CNC(=O)[C@H]1[C@@H](O)CCN1Cc1ccccc1)c1ccc([O-])c(O)c1	ZINC001143675147	947450570	/nfs/dbraw/zinc/45/05/70/947450570.db2.gz	HLQBAAUQYBTUQO-QFBILLFUSA-N	-1	1	370.405	1.032	20	10		FDCDMM
CNC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)c2c(F)ccc(O)c2[O-])C1	ZINC000844154268	947784706	/nfs/dbraw/zinc/78/47/06/947784706.db2.gz	XGQQDWFCTWTNRP-CYBMUJFWSA-N	-1	1	350.268	1.378	20	10		FDCDMM
O=C([O-])CN1CCCC[C@@H]([NH2+]Cc2ccc(Br)cc2[O-])C1=O	ZINC001595095596	951811173	/nfs/dbraw/zinc/81/11/73/951811173.db2.gz	GWWBOJKNHCHQKQ-GFCCVEGCSA-N	-1	1	371.231	1.710	20	10		FDCDMM
CCN1CCN(c2ccc(CNC(=O)N(C)CCC(=O)[O-])cc2F)CC1	ZINC000818207582	955388030	/nfs/dbraw/zinc/38/80/30/955388030.db2.gz	KPNSKGKOYILFQN-UHFFFAOYSA-N	-1	1	366.437	1.584	20	10		FDCDMM
O=C(Cn1cc(Cl)c(=O)c(Cl)c1)NCC(=O)c1ccc([O-])c(O)c1	ZINC001182119815	961437773	/nfs/dbraw/zinc/43/77/73/961437773.db2.gz	XKLNHQAWZOFQSI-UHFFFAOYSA-N	-1	1	371.176	1.565	20	10		FDCDMM
Cc1nocc1CNC(=O)CN(C)Cc1cc2c(C)cc(=O)oc2cc1[O-]	ZINC001184361796	963543088	/nfs/dbraw/zinc/54/30/88/963543088.db2.gz	KZPVPGZOCWKLHR-UHFFFAOYSA-N	-1	1	371.393	1.852	20	10		FDCDMM
Cc1cc(CNC(=O)CN(C)Cc2cc3c(C)cc(=O)oc3cc2[O-])no1	ZINC001184354117	963558617	/nfs/dbraw/zinc/55/86/17/963558617.db2.gz	ABHTXPKAFWYUSF-UHFFFAOYSA-N	-1	1	371.393	1.852	20	10		FDCDMM
O=C(CNS(=O)(=O)c1ccc(-c2cnco2)cc1)c1ccc([O-])c(O)c1	ZINC001185248321	963880489	/nfs/dbraw/zinc/88/04/89/963880489.db2.gz	SORNNGFYUHAHOQ-UHFFFAOYSA-N	-1	1	374.374	1.914	20	10		FDCDMM
COc1ccc(O)c([C@@H](C)[N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])c1	ZINC001187326138	965190386	/nfs/dbraw/zinc/19/03/86/965190386.db2.gz	VNAMGFXRMIYMMJ-SECBINFHSA-N	-1	1	353.356	1.744	20	10		FDCDMM
O=S(=O)([N-]CCc1cc(O)c(O)cc1O)C(Cl)(Cl)Cl	ZINC001192042579	968921093	/nfs/dbraw/zinc/92/10/93/968921093.db2.gz	HBFPPKDFTGQYFF-UHFFFAOYSA-N	-1	1	350.607	1.593	20	10		FDCDMM
CCOC(=O)CC[C@H](NC(=O)c1ccc(O)c([O-])c1Cl)C(=O)OCC	ZINC001193236523	969565132	/nfs/dbraw/zinc/56/51/32/969565132.db2.gz	GPCVYFIMJBOXRG-JTQLQIEISA-N	-1	1	373.789	1.756	20	10		FDCDMM
CC(=O)N1CCC[C@@]2(C1)CN(C(=O)c1ccc(O)c([O-])c1Cl)CCO2	ZINC001193226086	969594565	/nfs/dbraw/zinc/59/45/65/969594565.db2.gz	XHGWAEOPAYXBEL-QGZVFWFLSA-N	-1	1	368.817	1.605	20	10		FDCDMM
Cc1ccn2c(c1)ncc(C(=O)NCC(=O)c1ccc([O-])c(O)c1)c2=O	ZINC001201263191	974993663	/nfs/dbraw/zinc/99/36/63/974993663.db2.gz	NCMDCLVMVLUZQG-UHFFFAOYSA-N	-1	1	353.334	1.027	20	10		FDCDMM
COc1ccc(NC(=O)c2cccc(O)c2O)cc1[N-]S(C)(=O)=O	ZINC000776327702	975754782	/nfs/dbraw/zinc/75/47/82/975754782.db2.gz	OCIPKFDKIDWBHJ-UHFFFAOYSA-N	-1	1	352.368	1.730	20	10		FDCDMM
O=C(NC[C@H]1CCCN(C(=O)C(F)(F)F)C1)c1c(F)ccc(O)c1[O-]	ZINC000848391326	976713003	/nfs/dbraw/zinc/71/30/03/976713003.db2.gz	DSWYJMBECDSLBF-MRVPVSSYSA-N	-1	1	364.295	1.768	20	10		FDCDMM
O=C([O-])c1cnn2c1[nH]c(CN1CC[C@@H](Oc3ccccc3)C1)cc2=O	ZINC000851708986	979009333	/nfs/dbraw/zinc/00/93/33/979009333.db2.gz	CQEKKQRMVMJRIE-CQSZACIVSA-N	-1	1	354.366	1.786	20	10		FDCDMM
O=C(COC(=O)[C@@H]1CCN(C(=O)c2ccccc2)C1)c1ccc([O-])c(O)c1	ZINC000859940821	983108942	/nfs/dbraw/zinc/10/89/42/983108942.db2.gz	HXGUFFYTPWZUNY-OAHLLOKOSA-N	-1	1	369.373	1.986	20	10		FDCDMM
CCOC1CC(CNC(=O)c2c(F)ccc(O)c2[O-])(N2CCOCC2)C1	ZINC000295466005	988684008	/nfs/dbraw/zinc/68/40/08/988684008.db2.gz	FWTDYSGSSXRVLY-UHFFFAOYSA-N	-1	1	368.405	1.237	20	10		FDCDMM
C[C@@H](NC(=O)NCc1cccc(Br)c1[O-])c1cn(C)nn1	ZINC000925945203	995848255	/nfs/dbraw/zinc/84/82/55/995848255.db2.gz	OXMKQUUAISXOEY-MRVPVSSYSA-N	-1	1	354.208	1.844	20	10		FDCDMM
COCCN1C(=O)C(=CNCCCOC2CCCCC2)C(=O)[N-]C1=S	ZINC000052536840	523196180	/nfs/dbraw/zinc/19/61/80/523196180.db2.gz	VHBXRWRMBPMLCW-OWBHPGMISA-N	-1	1	369.487	1.089	20	10		FDCDMM
Cn1nnc2c1C[C@H](C(=O)NCc1cccc(Br)c1[O-])CC2	ZINC000290503203	537364888	/nfs/dbraw/zinc/36/48/88/537364888.db2.gz	SOAHKJSFRKIISZ-SECBINFHSA-N	-1	1	365.231	1.705	20	10		FDCDMM
O=C(NCCCN1CCOC1=O)NCc1cccc(Br)c1[O-]	ZINC000277276968	537608438	/nfs/dbraw/zinc/60/84/38/537608438.db2.gz	AOHDYWIFLYGOGM-UHFFFAOYSA-N	-1	1	372.219	1.796	20	10		FDCDMM
CN(C)c1ccc(CN(C)C(=O)CN2CCSC[C@@H]2CC(=O)[O-])cc1	ZINC000830831416	601918771	/nfs/dbraw/zinc/91/87/71/601918771.db2.gz	XHTMFLBENUMESY-INIZCTEOSA-N	-1	1	365.499	1.603	20	10		FDCDMM
C[C@H]1CN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC[C@@H]1NC(=O)[O-]	ZINC000739170710	602766420	/nfs/dbraw/zinc/76/64/20/602766420.db2.gz	HGKXUOZZESKOOC-YOEHRIQHSA-N	-1	1	362.474	1.689	20	10		FDCDMM
O=C(CNC(=O)NCc1cccc(Br)c1[O-])NCC1CC1	ZINC000277485506	674952497	/nfs/dbraw/zinc/95/24/97/674952497.db2.gz	QCCWVWFMGZGCBF-UHFFFAOYSA-N	-1	1	356.220	1.480	20	10		FDCDMM
O=C1[N-]C(=S)NC(=O)C1=CNc1c2c(nn1-c1ccccc1)CCC2	ZINC000052775167	671178688	/nfs/dbraw/zinc/17/86/88/671178688.db2.gz	YTHGMJWYHXFOQV-UHFFFAOYSA-N	-1	1	353.407	1.188	20	10		FDCDMM
CCn1ncc(CNC(=O)NCc2cccc(Br)c2[O-])n1	ZINC000528083422	694699886	/nfs/dbraw/zinc/69/98/86/694699886.db2.gz	MWQVOZVPBUAPNU-UHFFFAOYSA-N	-1	1	354.208	1.766	20	10		FDCDMM
CC(C)[C@H](C(=O)OCC(=O)c1ccc([O-])c(O)c1)N1C[C@@H](C)O[C@H](C)C1	ZINC000783781563	833632386	/nfs/dbraw/zinc/63/23/86/833632386.db2.gz	YQRKJACULMSZMM-SNUQEOBHSA-N	-1	1	365.426	1.958	20	10		FDCDMM
C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)C1	ZINC000898859306	845340169	/nfs/dbraw/zinc/34/01/69/845340169.db2.gz	DQSJMZJHFWPZKJ-NVXWUHKLSA-N	-1	1	374.485	1.691	20	10		FDCDMM
O=C(Cc1n[nH]c(=O)c2ccccc12)OCC(=O)c1ccc([O-])c(O)c1	ZINC000916599848	881806535	/nfs/dbraw/zinc/80/65/35/881806535.db2.gz	KWHSULPJFLEZIM-UHFFFAOYSA-N	-1	1	354.318	1.715	20	10		FDCDMM
CCN(CC)c1ccc(CN(C)C(=O)CCn2cc[n-]c(=O)c2=O)cc1	ZINC000727848871	911376868	/nfs/dbraw/zinc/37/68/68/911376868.db2.gz	VWRACIBOZPGMPR-UHFFFAOYSA-N	-1	1	358.442	1.432	20	10		FDCDMM
CC(C)c1ccc(Cn2nccc2NC=C2C(=O)[N-]C(=S)NC2=O)cc1	ZINC000054500003	912186837	/nfs/dbraw/zinc/18/68/37/912186837.db2.gz	UOKKIQRPMQUSJN-UHFFFAOYSA-N	-1	1	369.450	1.882	20	10		FDCDMM
CCS(=O)(=O)N(C)C1CCN(C(=O)c2c(F)ccc(O)c2[O-])CC1	ZINC000789976727	933280438	/nfs/dbraw/zinc/28/04/38/933280438.db2.gz	MRMUFMASBDSBPZ-UHFFFAOYSA-N	-1	1	360.407	1.123	20	10		FDCDMM
CS(=O)(=O)Nc1ccc([O-])c(-c2nc(-c3ccnc4ccnn43)no2)c1	ZINC000813348753	941370644	/nfs/dbraw/zinc/37/06/44/941370644.db2.gz	IBGGQXVWTOJRFC-UHFFFAOYSA-N	-1	1	372.366	1.523	20	10		FDCDMM
COc1ccc2[nH]cc(C(=O)C(=O)NCC(=O)c3ccc([O-])c(O)c3)c2c1	ZINC001184492654	963617684	/nfs/dbraw/zinc/61/76/84/963617684.db2.gz	FBIPCDIEDDSLHC-UHFFFAOYSA-N	-1	1	368.345	1.770	20	10		FDCDMM
Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	ZINC000773745526	964254059	/nfs/dbraw/zinc/25/40/59/964254059.db2.gz	KZEGDIIIAUUMEA-JTQLQIEISA-N	-1	1	370.409	1.753	20	10		FDCDMM
COC(=O)c1ncoc1COCC(=O)NCc1cccc(Cl)c1[O-]	ZINC001180421294	965325845	/nfs/dbraw/zinc/32/58/45/965325845.db2.gz	YXZVGIYDOTYCND-UHFFFAOYSA-N	-1	1	354.746	1.653	20	10		FDCDMM
CON(C)C[C@H](O)Cn1cc(NCc2cc(Cl)c(F)cc2[O-])cn1	ZINC001180787101	965555524	/nfs/dbraw/zinc/55/55/24/965555524.db2.gz	MDJNXTRHYHBOFE-LBPRGKRZSA-N	-1	1	358.801	1.847	20	10		FDCDMM
C[C@H]1C[C@H]1c1cc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])n[nH]1	ZINC000855003081	970091275	/nfs/dbraw/zinc/09/12/75/970091275.db2.gz	GCTHIGVOHGPXIJ-WCBMZHEXSA-N	-1	1	350.400	1.863	20	10		FDCDMM
O=C(CNS(=O)(=O)c1ccc2nccnc2c1)c1ccc([O-])c(O)c1	ZINC001198172393	972851846	/nfs/dbraw/zinc/85/18/46/972851846.db2.gz	JJVQWHKTTGUGSP-UHFFFAOYSA-N	-1	1	359.363	1.202	20	10		FDCDMM
O=C(CNC(=O)c1ccc(N2CCCNC2=O)nc1)c1ccc([O-])c(O)c1	ZINC001198470602	973137059	/nfs/dbraw/zinc/13/70/59/973137059.db2.gz	QRCXTSXGXJOGIW-UHFFFAOYSA-N	-1	1	370.365	1.025	20	10		FDCDMM
C[C@@H](NCc1nnc2n1CCNC2=O)c1cc(Cl)c(Cl)cc1[O-]	ZINC000883303760	982059764	/nfs/dbraw/zinc/05/97/64/982059764.db2.gz	GBBRSPOUZCLHDA-SSDOTTSWSA-N	-1	1	356.213	1.885	20	10		FDCDMM
COc1c([O-])c(CNC(c2ccnn2C)c2ccnn2C)ccc1[N+](=O)[O-]	ZINC000862541050	984408717	/nfs/dbraw/zinc/40/87/17/984408717.db2.gz	OBJYTOCIVUWYOO-UHFFFAOYSA-N	-1	1	372.385	1.655	20	10		FDCDMM
CCOCCCN(C[C@H](C)C(=O)OC)C(=O)c1c(F)ccc(O)c1[O-]	ZINC000825869400	992545376	/nfs/dbraw/zinc/54/53/76/992545376.db2.gz	ZTGDPRGSOVKECL-NSHDSACASA-N	-1	1	357.378	1.915	20	10		FDCDMM
CC(=O)c1cc(Cl)cc(CN2CCO[C@H](CS(C)(=O)=O)C2)c1[O-]	ZINC000933639885	1005596480	/nfs/dbraw/zinc/59/64/80/1005596480.db2.gz	PLXYQSWPJCBNLL-ZDUSSCGKSA-N	-1	1	361.847	1.494	20	10		FDCDMM
CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@H+]2CC[C@@H](C(=O)[O-])C2)c1	ZINC000817723503	597537817	/nfs/dbraw/zinc/53/78/17/597537817.db2.gz	JKPVQISHNYIDPW-CQSZACIVSA-N	-1	1	362.426	1.334	20	10		FDCDMM
O=C([O-])c1cc2ccccc2c(CN2CCO[C@H](Cn3cncn3)C2)c1O	ZINC000740097715	600428547	/nfs/dbraw/zinc/42/85/47/600428547.db2.gz	QBRSFUXEUMCXLX-AWEZNQCLSA-N	-1	1	368.393	1.736	20	10		FDCDMM
CN(C)c1ccc(CN(C)C(=O)CN2CC[C@H](CN(C)C(=O)[O-])C2)cc1	ZINC000739661306	602536456	/nfs/dbraw/zinc/53/64/56/602536456.db2.gz	SPRFWLGBKPGCAV-MRXNPFEDSA-N	-1	1	362.474	1.643	20	10		FDCDMM
CCN(CC)c1ccc(CNCC(=O)N2CCN(C(=O)[O-])CC2)cc1F	ZINC000739414463	603088105	/nfs/dbraw/zinc/08/81/05/603088105.db2.gz	MSMARRPBZCRNFS-UHFFFAOYSA-N	-1	1	366.437	1.584	20	10		FDCDMM
O=C([O-])NCCNC(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1	ZINC000834239304	605565420	/nfs/dbraw/zinc/56/54/20/605565420.db2.gz	AGLNVDAZOYBHGU-NSHDSACASA-N	-1	1	355.822	1.641	20	10		FDCDMM
O=C([O-])NCCNC(=O)[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1	ZINC000834239304	605565422	/nfs/dbraw/zinc/56/54/22/605565422.db2.gz	AGLNVDAZOYBHGU-NSHDSACASA-N	-1	1	355.822	1.641	20	10		FDCDMM
CCCN(Cc1ccccc1O)C(=O)Nc1nn(C)cc1-c1nnn[n-]1	ZINC000821109776	606170049	/nfs/dbraw/zinc/17/00/49/606170049.db2.gz	ORXVNNSKSADGRY-UHFFFAOYSA-N	-1	1	356.390	1.750	20	10		FDCDMM
CCCN(Cc1ccccc1O)C(=O)Nc1nn(C)cc1-c1nn[n-]n1	ZINC000821109776	606170050	/nfs/dbraw/zinc/17/00/50/606170050.db2.gz	ORXVNNSKSADGRY-UHFFFAOYSA-N	-1	1	356.390	1.750	20	10		FDCDMM
O=C(NCc1cccc(Cl)c1[O-])[C@@H]1CS(=O)(=O)C[C@H]1C(F)(F)F	ZINC000890761086	771614072	/nfs/dbraw/zinc/61/40/72/771614072.db2.gz	KKZHHOFZLIVMAR-RKDXNWHRSA-N	-1	1	371.764	1.885	20	10		FDCDMM
Cc1cc(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)c(C)n1-c1ccc(F)cc1	ZINC000377594969	792288724	/nfs/dbraw/zinc/28/87/24/792288724.db2.gz	ITDYBIWYVJHWIK-MRXNPFEDSA-N	-1	1	370.388	1.960	20	10		FDCDMM
Cn1[n-]cc2/c(=N\C(=O)/C=C/c3ccc(N4CCOCC4)cc3)ccnc1-2	ZINC000279248169	808660450	/nfs/dbraw/zinc/66/04/50/808660450.db2.gz	RIRQQQLNTVSSAQ-MGZSEELKSA-N	-1	1	363.421	1.830	20	10		FDCDMM
CCN1C(=S)N=NC1CCNC(=O)NCc1cccc(Cl)c1[O-]	ZINC000895329807	822494963	/nfs/dbraw/zinc/49/49/63/822494963.db2.gz	JZIRFRXHRVGUSU-UHFFFAOYSA-N	-1	1	355.851	1.988	20	10		FDCDMM
[O-]c1cc(F)c(F)cc1CN1CCCn2c(Cn3cccn3)nnc2C1	ZINC001142520621	840454717	/nfs/dbraw/zinc/45/47/17/840454717.db2.gz	MKTLLLNOCFIHTI-UHFFFAOYSA-N	-1	1	360.368	1.913	20	10		FDCDMM
COc1ccccc1CCNC=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O	ZINC000920979344	887361989	/nfs/dbraw/zinc/36/19/89/887361989.db2.gz	IIFDPTFCRPSJPG-GXDHUFHOSA-N	-1	1	361.467	1.611	20	10		FDCDMM
COCCN1C(=O)C(=CNc2cc(-c3ccccc3)[nH]n2)C(=O)[N-]C1=S	ZINC000920980026	887363979	/nfs/dbraw/zinc/36/39/79/887363979.db2.gz	SSBMFAPPJPXQQC-BENRWUELSA-N	-1	1	371.422	1.262	20	10		FDCDMM
O=C(NCc1cccc(Br)c1[O-])C(=O)Nc1ccc(F)nc1	ZINC000765927568	898023694	/nfs/dbraw/zinc/02/36/94/898023694.db2.gz	UAUBSWXRRUMRFB-UHFFFAOYSA-N	-1	1	368.162	1.944	20	10		FDCDMM
C[C@H]1COCCN1CCNC(=O)NCc1cccc(Br)c1[O-]	ZINC000764790295	905693490	/nfs/dbraw/zinc/69/34/90/905693490.db2.gz	JLEVPGBJDDJPCW-NSHDSACASA-N	-1	1	372.263	1.675	20	10		FDCDMM
CNS(=O)(=O)NC1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1	ZINC000811499277	941136757	/nfs/dbraw/zinc/13/67/57/941136757.db2.gz	IAMGXLLXXUEUGQ-UHFFFAOYSA-N	-1	1	351.831	1.203	20	10		FDCDMM
O=C(c1c(F)ccc(O)c1[O-])N1Cc2cccnc2N2C[C@H](O)C[C@H]2C1	ZINC000856693753	971317640	/nfs/dbraw/zinc/31/76/40/971317640.db2.gz	IUBCIBVOUIZTFU-NWDGAFQWSA-N	-1	1	359.357	1.228	20	10		FDCDMM
O=C([O-])[C@H]1CC(=O)N(C2CC[NH+](Cc3c([O-])cccc3Cl)CC2)C1	ZINC000844935612	948516244	/nfs/dbraw/zinc/51/62/44/948516244.db2.gz	QUKOJQWFJVWVNF-NSHDSACASA-N	-1	1	352.818	1.943	20	10		FDCDMM
C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)o1	ZINC000773019483	953764542	/nfs/dbraw/zinc/76/45/42/953764542.db2.gz	XWRWZWSWTDSNGY-LLVKDONJSA-N	-1	1	351.428	1.745	20	10		FDCDMM
Cn1ncc(C(=O)[O-])c1CNCc1ccc(N2CCC(O)CC2)c(F)c1	ZINC001594583559	955994639	/nfs/dbraw/zinc/99/46/39/955994639.db2.gz	UKTOFGBUMXEBDR-UHFFFAOYSA-N	-1	1	362.405	1.508	20	10		FDCDMM
CN(C)S(=O)(=O)c1cccc(CNC(=O)c2c(F)ccc(O)c2[O-])c1	ZINC001183508391	963089588	/nfs/dbraw/zinc/08/95/88/963089588.db2.gz	LORYKIILDMIFLL-UHFFFAOYSA-N	-1	1	368.386	1.417	20	10		FDCDMM
Cc1nnc(CNC(=O)CN(C)Cc2cc3c(C)cc(=O)oc3cc2[O-])o1	ZINC001184359247	963541465	/nfs/dbraw/zinc/54/14/65/963541465.db2.gz	AXQUIMWQHJRPAI-UHFFFAOYSA-N	-1	1	372.381	1.247	20	10		FDCDMM
O=C(CNC(=O)C1CCN(c2ncccn2)CC1)c1ccc([O-])c(O)c1	ZINC001177129859	963676102	/nfs/dbraw/zinc/67/61/02/963676102.db2.gz	PNYWGJSWQYKMNW-UHFFFAOYSA-N	-1	1	356.382	1.103	20	10		FDCDMM
COc1c([O-])c(CN2CCN(C(=O)c3cccn3C)CC2)ccc1[N+](=O)[O-]	ZINC000774834220	963822638	/nfs/dbraw/zinc/82/26/38/963822638.db2.gz	CIASLJYGWLQCON-UHFFFAOYSA-N	-1	1	374.397	1.606	20	10		FDCDMM
COc1c([O-])c(CN2CCN(C(=O)NC(C)(C)C)CC2)ccc1[N+](=O)[O-]	ZINC000775075886	964945719	/nfs/dbraw/zinc/94/57/19/964945719.db2.gz	QJQVZAYEADUNQD-UHFFFAOYSA-N	-1	1	366.418	1.935	20	10		FDCDMM
COc1cnc([C@@H]2CCCN2C(=O)C=Cc2ccc(O)c(O)c2)[n-]c1=O	ZINC001180060076	965094743	/nfs/dbraw/zinc/09/47/43/965094743.db2.gz	QUZKVGNMUJHOCG-PZBABLGHSA-N	-1	1	357.366	1.979	20	10		FDCDMM
O=C(CCn1nnc2ccccc2c1=O)NCc1cccc(Cl)c1[O-]	ZINC001180411420	965318817	/nfs/dbraw/zinc/31/88/17/965318817.db2.gz	YNAYGUFGLCBTEQ-UHFFFAOYSA-N	-1	1	358.785	1.857	20	10		FDCDMM
Cn1cc(Br)cc1C(=O)NCC(=O)c1ccc([O-])c(O)c1	ZINC001190361691	967780793	/nfs/dbraw/zinc/78/07/93/967780793.db2.gz	LNFNKSUTVJYOQI-UHFFFAOYSA-N	-1	1	353.172	1.812	20	10		FDCDMM
C[S@@](=O)(=NS(=O)(=O)[N-]Cc1ccc(O)cc1O)c1ccccc1	ZINC001191530013	968569699	/nfs/dbraw/zinc/56/96/99/968569699.db2.gz	HCCWEINGNVUJJL-QFIPXVFZSA-N	-1	1	356.425	1.589	20	10		FDCDMM
COC(=O)[C@H]1C[C@H]1c1ccc(C(=O)NCC(=O)c2ccc([O-])c(O)c2)cc1	ZINC001192213058	968996573	/nfs/dbraw/zinc/99/65/73/968996573.db2.gz	ZVTAJRLDTSIQQM-GJZGRUSLSA-N	-1	1	369.373	1.987	20	10		FDCDMM
CCc1ccc(OC)c(S(=O)(=O)NCC(=O)c2ccc([O-])c(O)c2)c1	ZINC001192837027	969333017	/nfs/dbraw/zinc/33/30/17/969333017.db2.gz	QIWUWYZANULTRV-UHFFFAOYSA-N	-1	1	365.407	1.830	20	10		FDCDMM
O=C(c1ccc(O)c([O-])c1Cl)N1CCN(C(=O)C(F)(F)F)CC1	ZINC001193219454	969547471	/nfs/dbraw/zinc/54/74/71/969547471.db2.gz	HXRDTBHQOGJRPE-UHFFFAOYSA-N	-1	1	352.696	1.598	20	10		FDCDMM
CCOC(=O)[C@@H]1c2nc[nH]c2CCN1C(=O)c1ccc(O)c([O-])c1Cl	ZINC001193231910	969561236	/nfs/dbraw/zinc/56/12/36/969561236.db2.gz	ASFDHPPFACDAKV-ZDUSSCGKSA-N	-1	1	365.773	1.777	20	10		FDCDMM
O=C(c1ccc(O)c([O-])c1Cl)N1[C@@H]2CC[C@H]1CC1(C2)NC(=O)NC1=O	ZINC001193233380	969563644	/nfs/dbraw/zinc/56/36/44/969563644.db2.gz	XYJATZBYFVRECR-VTUZLZDMSA-N	-1	1	365.773	1.096	20	10		FDCDMM
COC(=O)[C@H](CCc1cn(C)cn1)NC(=O)c1ccc(O)c([O-])c1Cl	ZINC001193247035	969573995	/nfs/dbraw/zinc/57/39/95/969573995.db2.gz	ISCWVQSBOGDPIN-NSHDSACASA-N	-1	1	367.789	1.389	20	10		FDCDMM
Cn1nc(C(=O)NCC(=O)c2ccc([O-])c(O)c2)cc1Br	ZINC001194441788	970196157	/nfs/dbraw/zinc/19/61/57/970196157.db2.gz	VGTUAOPEKDLRHT-UHFFFAOYSA-N	-1	1	354.160	1.207	20	10		FDCDMM
CC(C)(C)OC(=O)N1CCOC[C@@H]1CNC(=O)c1c(F)ccc(O)c1[O-]	ZINC000863940737	973304966	/nfs/dbraw/zinc/30/49/66/973304966.db2.gz	NBCZGNHSFIXHFD-JTQLQIEISA-N	-1	1	370.377	1.603	20	10		FDCDMM
O=C([O-])CN1CCCC[C@H]([NH2+]Cc2c([O-])cccc2Br)C1=O	ZINC001606258666	973613002	/nfs/dbraw/zinc/61/30/02/973613002.db2.gz	GKSSKSYMPHRXDK-LBPRGKRZSA-N	-1	1	371.231	1.710	20	10		FDCDMM
COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(O)cc1C(=O)[O-]	ZINC000794907395	975501392	/nfs/dbraw/zinc/50/13/92/975501392.db2.gz	QYNDNTVYLCZPIC-UHFFFAOYSA-N	-1	1	368.323	1.808	20	10		FDCDMM
COC[C@@H](CS(=O)(=O)NCc1cccc(Br)c1[O-])OC	ZINC000882132161	980439978	/nfs/dbraw/zinc/43/99/78/980439978.db2.gz	SLDDBTGCKJHQQK-JTQLQIEISA-N	-1	1	368.249	1.236	20	10		FDCDMM
CN(C)S(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(O)cc2)c1	ZINC000884040475	982736769	/nfs/dbraw/zinc/73/67/69/982736769.db2.gz	UUNQDJCCZQWSFB-UHFFFAOYSA-N	-1	1	356.425	1.443	20	10		FDCDMM
O=C(NCc1cccc(Br)c1[O-])c1cn2c(n1)COCC2	ZINC000861332836	983687552	/nfs/dbraw/zinc/68/75/52/983687552.db2.gz	YCWROFWGDUVPBG-UHFFFAOYSA-N	-1	1	352.188	1.811	20	10		FDCDMM
Cn1nnc2cc(S(=O)(=O)[N-]c3cccc(N4CCOCC4)c3)ccc21	ZINC000872341859	987611747	/nfs/dbraw/zinc/61/17/47/987611747.db2.gz	ZBTUNOOVQFGCEK-UHFFFAOYSA-N	-1	1	373.438	1.606	20	10		FDCDMM
CCc1cc(N2CCC[C@@H](NC(=O)c3c(F)ccc(O)c3[O-])C2)ncn1	ZINC000295392875	988679107	/nfs/dbraw/zinc/67/91/07/988679107.db2.gz	YRLWBEUWFBYFTI-GFCCVEGCSA-N	-1	1	360.389	1.988	20	10		FDCDMM
CN(C(=O)c1c(F)ccc(O)c1[O-])[C@@H]1CCN(CC(F)(F)F)C1=O	ZINC000825818862	992062815	/nfs/dbraw/zinc/06/28/15/992062815.db2.gz	KXQWIEKQRRZXRX-MRVPVSSYSA-N	-1	1	350.268	1.472	20	10		FDCDMM
CC(=O)c1cc(Cl)cc(CN2CCO[C@@H](CS(C)(=O)=O)C2)c1[O-]	ZINC000933639884	1005596405	/nfs/dbraw/zinc/59/64/05/1005596405.db2.gz	PLXYQSWPJCBNLL-CYBMUJFWSA-N	-1	1	361.847	1.494	20	10		FDCDMM
COCCN1C(=O)C(=CNc2ccc3oc(C)nc3c2)C(=O)[N-]C1=S	ZINC000060865627	522420453	/nfs/dbraw/zinc/42/04/53/522420453.db2.gz	OXMAKARPIYXUGK-FLIBITNWSA-N	-1	1	360.395	1.322	20	10		FDCDMM
COc1ccc(CN2CC[C@@H](NC(=O)c3c(F)ccc(O)c3[O-])C2=O)cc1	ZINC000295312043	537712045	/nfs/dbraw/zinc/71/20/45/537712045.db2.gz	RWYKNJHNHHTUTI-CQSZACIVSA-N	-1	1	374.368	1.776	20	10		FDCDMM
COC(=O)[C@@H](CC(F)(F)F)NCc1ccc([N+](=O)[O-])c(OC)c1[O-]	ZINC000278375662	675129149	/nfs/dbraw/zinc/12/91/49/675129149.db2.gz	LEPHCTAJLCLXMK-MRVPVSSYSA-N	-1	1	352.265	1.893	20	10		FDCDMM
C[C@H](C(=O)N(C)C)S(=O)(=O)NCc1cccc(Br)c1[O-]	ZINC000278565261	675154273	/nfs/dbraw/zinc/15/42/73/675154273.db2.gz	BUSZDSOAOFZPJR-MRVPVSSYSA-N	-1	1	365.249	1.051	20	10		FDCDMM
COc1c([O-])c(CN2CCOC[C@H]2[C@H]2CCCC2=O)ccc1[N+](=O)[O-]	ZINC000377387909	678532897	/nfs/dbraw/zinc/53/28/97/678532897.db2.gz	WTZINERYIUTJNV-OCCSQVGLSA-N	-1	1	350.371	1.879	20	10		FDCDMM
O=C(CNC(=O)c1c(F)ccc(O)c1[O-])N1CCN(c2ccccc2)CC1	ZINC000276654487	778436374	/nfs/dbraw/zinc/43/63/74/778436374.db2.gz	XDJJVWCYGCKBAB-UHFFFAOYSA-N	-1	1	373.384	1.316	20	10		FDCDMM
COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)[N-]c2ccc(O)cc2)c1	ZINC000916106444	881355196	/nfs/dbraw/zinc/35/51/96/881355196.db2.gz	GLAKVRZLUVUJBZ-UHFFFAOYSA-N	-1	1	365.363	1.766	20	10		FDCDMM
O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)OCC(=O)c1ccc([O-])c(O)c1	ZINC000916617623	881831997	/nfs/dbraw/zinc/83/19/97/881831997.db2.gz	PBBJIZKPAFPVOQ-UHFFFAOYSA-N	-1	1	374.305	1.162	20	10		FDCDMM
COC(=O)C1(CNC(=O)NCc2cccc(Br)c2[O-])CC1	ZINC000764806530	905704865	/nfs/dbraw/zinc/70/48/65/905704865.db2.gz	QXGWHHLHAWOYGL-UHFFFAOYSA-N	-1	1	357.204	1.907	20	10		FDCDMM
O=C(NCc1cccc(Br)c1[O-])C1(C(=O)NC2CC2)CC1	ZINC000765728860	908346782	/nfs/dbraw/zinc/34/67/82/908346782.db2.gz	WLRKDGBDYSCNBO-UHFFFAOYSA-N	-1	1	353.216	1.830	20	10		FDCDMM
Cn1nnnc1SCCC(=O)NCc1cccc(Br)c1[O-]	ZINC000765748067	908610428	/nfs/dbraw/zinc/61/04/28/908610428.db2.gz	UYZZAELHUJHEHG-UHFFFAOYSA-N	-1	1	372.248	1.477	20	10		FDCDMM
Cc1cc(C)n(CC(=O)NCc2cccc(Br)c2[O-])c(=O)n1	ZINC000765764050	909144885	/nfs/dbraw/zinc/14/48/85/909144885.db2.gz	GLNRLEMCDJTGMH-UHFFFAOYSA-N	-1	1	366.215	1.645	20	10		FDCDMM
CN1CCCc2cc(C[N-]S(=O)(=O)c3cccnc3[N+](=O)[O-])ccc21	ZINC000742285174	925999650	/nfs/dbraw/zinc/99/96/50/925999650.db2.gz	NMQGQEIXZNVTDL-UHFFFAOYSA-N	-1	1	362.411	1.851	20	10		FDCDMM
CC(=O)c1cnc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])s1	ZINC000743418173	926358201	/nfs/dbraw/zinc/35/82/01/926358201.db2.gz	WGCNIOXSQTWCMJ-UHFFFAOYSA-N	-1	1	355.397	1.675	20	10		FDCDMM
Cn1cnc2cc(NC(=O)c3cc(NS(C)(=O)=O)ccc3[O-])ccc21	ZINC000769932504	929769163	/nfs/dbraw/zinc/76/91/63/929769163.db2.gz	PZOZEELNUPTOGL-UHFFFAOYSA-N	-1	1	360.395	1.903	20	10		FDCDMM
O=C(NCCNc1nccc(C(F)(F)F)n1)c1c(F)ccc(O)c1[O-]	ZINC000789984556	933284551	/nfs/dbraw/zinc/28/45/51/933284551.db2.gz	SMJABLQRMSYNOW-UHFFFAOYSA-N	-1	1	360.267	1.888	20	10		FDCDMM
O=C(NCCCN1C(=O)COc2ccccc21)c1c(F)ccc(O)c1[O-]	ZINC000789985614	933285772	/nfs/dbraw/zinc/28/57/72/933285772.db2.gz	ACPAVGIAKUPSMZ-UHFFFAOYSA-N	-1	1	360.341	1.782	20	10		FDCDMM
CNS(=O)(=O)c1ccc([O-])c(NC(=O)/C=C\c2ccc(O)c(O)c2)c1	ZINC000794124931	938364292	/nfs/dbraw/zinc/36/42/92/938364292.db2.gz	NLHJSMGFPOAUIS-CLTKARDFSA-N	-1	1	364.379	1.363	20	10		FDCDMM
O=C(NC[C@H]1CCCCN1C(=O)C(F)(F)F)c1c(F)ccc(O)c1[O-]	ZINC000844149882	947805912	/nfs/dbraw/zinc/80/59/12/947805912.db2.gz	CZMPQTGEXCBKQL-MRVPVSSYSA-N	-1	1	364.295	1.910	20	10		FDCDMM
CCN1CCN(c2ccc(CNC(=O)[C@H](C(=O)[O-])C(C)C)cc2F)CC1	ZINC000844243402	947911254	/nfs/dbraw/zinc/91/12/54/947911254.db2.gz	HJOJEKHMELKWDQ-QGZVFWFLSA-N	-1	1	365.449	1.941	20	10		FDCDMM
O=C(CC1(Cn2cnnn2)CCCCC1)OCC(=O)c1ccc([O-])c(O)c1	ZINC000845257324	948971730	/nfs/dbraw/zinc/97/17/30/948971730.db2.gz	DHPCLQRFFNOKIQ-UHFFFAOYSA-N	-1	1	374.397	1.851	20	10		FDCDMM
COc1ccc2c(c1)c1c(n2CC(=O)OCc2nc(=O)n(C)[n-]2)CCCC1	ZINC000845298510	949001877	/nfs/dbraw/zinc/00/18/77/949001877.db2.gz	MEARYVZECATXHF-UHFFFAOYSA-N	-1	1	370.409	1.694	20	10		FDCDMM
Cc1cc(C(=O)NCC(=O)c2ccc([O-])c(O)c2)nn1-c1ccccn1	ZINC001197524146	972274335	/nfs/dbraw/zinc/27/43/35/972274335.db2.gz	OPISMSVEKFVPDW-UHFFFAOYSA-N	-1	1	352.350	1.600	20	10		FDCDMM
O=C(CNC(=O)[C@H]1CN(Cc2ccccc2)CC1=O)c1ccc([O-])c(O)c1	ZINC001181571010	960954540	/nfs/dbraw/zinc/95/45/40/960954540.db2.gz	FBDKTSQTQLIVNU-HNNXBMFYSA-N	-1	1	368.389	1.098	20	10		FDCDMM
Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)NCc3ccc[nH]3)cc12	ZINC001184362795	963543673	/nfs/dbraw/zinc/54/36/73/963543673.db2.gz	VNFAFKCHNQPWOD-UHFFFAOYSA-N	-1	1	355.394	1.883	20	10		FDCDMM
O=C(Cc1c(F)c(F)nc(F)c1F)NCC(=O)c1ccc([O-])c(O)c1	ZINC001177481598	963850070	/nfs/dbraw/zinc/85/00/70/963850070.db2.gz	AARZOCANASOVDZ-UHFFFAOYSA-N	-1	1	358.247	1.591	20	10		FDCDMM
O=C(c1ccncc1)N1CCN(C(=O)c2ccc(O)c([O-])c2Cl)CC1	ZINC001193232808	969563510	/nfs/dbraw/zinc/56/35/10/969563510.db2.gz	PYILQWOZHJYBBN-UHFFFAOYSA-N	-1	1	361.785	1.744	20	10		FDCDMM
CNC(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)c3ccc(O)c([O-])c3Cl)C[C@H]21	ZINC001193225502	969594325	/nfs/dbraw/zinc/59/43/25/969594325.db2.gz	NYOHIMSPLAJZHJ-SUZMYJTESA-N	-1	1	368.817	1.364	20	10		FDCDMM
O=C(CNC(=O)c1ccc(-c2ccc(=O)[nH]n2)cc1)c1ccc([O-])c(O)c1	ZINC001198351024	973047109	/nfs/dbraw/zinc/04/71/09/973047109.db2.gz	HVZCPLFDLXUTJD-UHFFFAOYSA-N	-1	1	365.345	1.873	20	10		FDCDMM
COc1ccc(N2CC[C@@H]([N-]S(=O)(=O)c3c[nH]nc3Cl)C2)cc1	ZINC000849417493	977544118	/nfs/dbraw/zinc/54/41/18/977544118.db2.gz	SFMCGKVMENSVMQ-SNVBAGLBSA-N	-1	1	356.835	1.629	20	10		FDCDMM
CO[C@H]1C[C@H]2CN(C(=O)c3c(F)ccc(O)c3[O-])Cc3cccnc3N2C1	ZINC000881270496	979795615	/nfs/dbraw/zinc/79/56/15/979795615.db2.gz	UQRIJBYRJAYYBJ-STQMWFEESA-N	-1	1	373.384	1.882	20	10		FDCDMM
Cc1onc(CC(=O)N(C)Cc2ccc(N(C)C)cc2)c1-c1nnn[n-]1	ZINC000826343263	982404026	/nfs/dbraw/zinc/40/40/26/982404026.db2.gz	SVUXFJZCWPCROC-UHFFFAOYSA-N	-1	1	355.402	1.430	20	10		FDCDMM
Cc1onc(CC(=O)N(C)Cc2ccc(N(C)C)cc2)c1-c1nn[n-]n1	ZINC000826343263	982404039	/nfs/dbraw/zinc/40/40/39/982404039.db2.gz	SVUXFJZCWPCROC-UHFFFAOYSA-N	-1	1	355.402	1.430	20	10		FDCDMM
O=C(NCc1ccncc1OC[C@H]1CCOC1)c1c(F)ccc(O)c1[O-]	ZINC000295599308	988708980	/nfs/dbraw/zinc/70/89/80/988708980.db2.gz	XESJKQFGRYGNEU-NSHDSACASA-N	-1	1	362.357	1.977	20	10		FDCDMM
CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)c2c(F)ccc(O)c2[O-])CCO1	ZINC000295822842	988780743	/nfs/dbraw/zinc/78/07/43/988780743.db2.gz	VKCMCZJTGZCREQ-SNVBAGLBSA-N	-1	1	370.377	1.603	20	10		FDCDMM
Cn1nc(C(=O)[O-])cc1CNCc1ccc(N2CCC(O)CC2)c(F)c1	ZINC000874040003	989667050	/nfs/dbraw/zinc/66/70/50/989667050.db2.gz	CDGYNNWTIWBXJR-UHFFFAOYSA-N	-1	1	362.405	1.508	20	10		FDCDMM
O=C(NCC[C@H]1CNC(=O)C1)NCc1cccc(Br)c1[O-]	ZINC000926985069	996392670	/nfs/dbraw/zinc/39/26/70/996392670.db2.gz	ITWOZOLYQTUPFI-SECBINFHSA-N	-1	1	356.220	1.480	20	10		FDCDMM
COC(=O)[C@@H]1C[N@@H+](Cc2cc(C)cc(Br)c2[O-])C[C@H]1C(=O)[O-]	ZINC001598829083	996416727	/nfs/dbraw/zinc/41/67/27/996416727.db2.gz	RMZYWEXLCNUCPT-GHMZBOCLSA-N	-1	1	372.215	1.769	20	10		FDCDMM
Cc1cnc(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c([O-])c1	ZINC000778543313	1006434644	/nfs/dbraw/zinc/43/46/44/1006434644.db2.gz	MXTOYQIJISOTQK-HNNXBMFYSA-N	-1	1	368.437	1.727	20	10		FDCDMM
COC(=O)c1cc(O)ccc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1	ZINC000779461091	1009585188	/nfs/dbraw/zinc/58/51/88/1009585188.db2.gz	VGMDXQHSWPGVHU-UHFFFAOYSA-N	-1	1	351.336	1.678	20	10		FDCDMM
CNC(=O)[C@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2O)CCO1	ZINC000183170260	535933359	/nfs/dbraw/zinc/93/33/59/535933359.db2.gz	MNVQMRWQRSGLOM-LJQANCHMSA-N	-1	1	356.422	1.918	20	10		FDCDMM
COCCN1CCCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])CC1=O	ZINC000190785293	537187172	/nfs/dbraw/zinc/18/71/72/537187172.db2.gz	IPPSEAADYQGKFY-UHFFFAOYSA-N	-1	1	354.834	1.929	20	10		FDCDMM
CCOc1cccc(N2CCN(C(=O)c3c(F)ccc(O)c3[O-])CC2)n1	ZINC000295289562	537712058	/nfs/dbraw/zinc/71/20/58/537712058.db2.gz	QAIQMKPLFHQJRL-UHFFFAOYSA-N	-1	1	361.373	1.993	20	10		FDCDMM
COC(=O)[C@@H]1CCO[C@H]1C1CCN(C(=O)c2c(F)ccc(O)c2[O-])CC1	ZINC000295335318	537712247	/nfs/dbraw/zinc/71/22/47/537712247.db2.gz	NBXFJQJRSORXBI-BZNIZROVSA-N	-1	1	367.373	1.667	20	10		FDCDMM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCn3c4ccccc4nc32)c1	ZINC000367419304	537958242	/nfs/dbraw/zinc/95/82/42/537958242.db2.gz	PLJQLHZUODSLSI-UHFFFAOYSA-N	-1	1	372.406	1.774	20	10		FDCDMM
CC(=O)NCC[N@H+](Cc1cc(Br)ccc1[O-])[C@H](C)C(=O)[O-]	ZINC000819770036	597704741	/nfs/dbraw/zinc/70/47/41/597704741.db2.gz	FLUYZGWXMUJUSX-SECBINFHSA-N	-1	1	359.220	1.566	20	10		FDCDMM
CC(=O)NCC[N@@H+](Cc1cc(Br)ccc1[O-])[C@H](C)C(=O)[O-]	ZINC000819770036	597704743	/nfs/dbraw/zinc/70/47/43/597704743.db2.gz	FLUYZGWXMUJUSX-SECBINFHSA-N	-1	1	359.220	1.566	20	10		FDCDMM
COc1ccc(N2CCC(Nc3nccnc3-c3nnn[n-]3)CC2)cc1	ZINC000737100298	598353217	/nfs/dbraw/zinc/35/32/17/598353217.db2.gz	WCGWXSVNYOKLEX-UHFFFAOYSA-N	-1	1	352.402	1.746	20	10		FDCDMM
COc1ccc(N2CCC(Nc3nccnc3-c3nn[n-]n3)CC2)cc1	ZINC000737100298	598353219	/nfs/dbraw/zinc/35/32/19/598353219.db2.gz	WCGWXSVNYOKLEX-UHFFFAOYSA-N	-1	1	352.402	1.746	20	10		FDCDMM
COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(O)c(C)c1	ZINC000831374740	604829151	/nfs/dbraw/zinc/82/91/51/604829151.db2.gz	UJANNJORAZWNFI-UHFFFAOYSA-N	-1	1	365.363	1.986	20	10		FDCDMM
CN(Cc1ccc(N2CCOCC2)cc1)c1ccc(-c2nnn[n-]2)nn1	ZINC000825966348	608393416	/nfs/dbraw/zinc/39/34/16/608393416.db2.gz	ZLAHWVDKGUOAGX-UHFFFAOYSA-N	-1	1	352.402	1.130	20	10		FDCDMM
CN(Cc1ccc(N2CCOCC2)cc1)c1ccc(-c2nn[n-]n2)nn1	ZINC000825966348	608393418	/nfs/dbraw/zinc/39/34/18/608393418.db2.gz	ZLAHWVDKGUOAGX-UHFFFAOYSA-N	-1	1	352.402	1.130	20	10		FDCDMM
O=C(NCc1nnc2n1CCC2)NCc1cccc(Br)c1[O-]	ZINC000278450731	675138890	/nfs/dbraw/zinc/13/88/90/675138890.db2.gz	UMHFAQGYZHILRW-UHFFFAOYSA-N	-1	1	366.219	1.692	20	10		FDCDMM
O=C1[N-]C(=S)NC(=O)C1=CNc1cccc(I)c1	ZINC000048403113	671069315	/nfs/dbraw/zinc/06/93/15/671069315.db2.gz	ILLDARMOJHLHEC-UHFFFAOYSA-N	-1	1	373.175	1.118	20	10		FDCDMM
CCN(CC)c1ccc(CNC(=O)c2ccc(S(=O)(=O)[N-]C)o2)cc1	ZINC000057118373	671260599	/nfs/dbraw/zinc/26/05/99/671260599.db2.gz	YGKOJDWRWASKDL-UHFFFAOYSA-N	-1	1	365.455	1.964	20	10		FDCDMM
CC(=O)c1cc(Cl)cc(CN2CCC[C@H](NS(C)(=O)=O)C2)c1[O-]	ZINC000177255443	672123594	/nfs/dbraw/zinc/12/35/94/672123594.db2.gz	SBDNNEYFMYOWGH-ZDUSSCGKSA-N	-1	1	360.863	1.762	20	10		FDCDMM
COc1c([O-])c(CN2CCOC[C@H]2c2noc(C)n2)ccc1[N+](=O)[O-]	ZINC000365810532	677384103	/nfs/dbraw/zinc/38/41/03/677384103.db2.gz	BAQHOPZTGOWJBG-LBPRGKRZSA-N	-1	1	350.331	1.574	20	10		FDCDMM
CC(=O)c1cc(Cl)cc(CN2CCN3C(=O)N(C)C(=O)[C@H]3C2)c1[O-]	ZINC000375858904	678186027	/nfs/dbraw/zinc/18/60/27/678186027.db2.gz	HSMJZEADOONKMQ-CYBMUJFWSA-N	-1	1	351.790	1.326	20	10		FDCDMM
C[C@H](C(=O)N(C)CC(=O)NCc1cccc(Cl)c1[O-])n1cccn1	ZINC000890757970	771583828	/nfs/dbraw/zinc/58/38/28/771583828.db2.gz	PAIYPSAVRWGVDF-LLVKDONJSA-N	-1	1	350.806	1.578	20	10		FDCDMM
CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1ccc(-n2cnnn2)cc1	ZINC000766047802	882110986	/nfs/dbraw/zinc/11/09/86/882110986.db2.gz	LBHUVCNJXGDCBZ-UHFFFAOYSA-N	-1	1	359.367	1.371	20	10		FDCDMM
COCCN1C(=O)C(=CNc2ccc(C)c(Cl)c2)C(=O)[N-]C1=S	ZINC000920974746	887358425	/nfs/dbraw/zinc/35/84/25/887358425.db2.gz	RFLKUGYTDPRUTN-DHZHZOJOSA-N	-1	1	353.831	1.834	20	10		FDCDMM
COC(=O)c1ccc(F)c([N-]S(=O)(=O)c2cccc3nonc32)c1	ZINC000765037935	906295899	/nfs/dbraw/zinc/29/58/99/906295899.db2.gz	QXELKPHVOKLAAV-UHFFFAOYSA-N	-1	1	351.315	1.949	20	10		FDCDMM
Cc1nc([N+](=O)[O-])cn1CC(=O)NCc1cccc(Br)c1[O-]	ZINC000765765285	909154235	/nfs/dbraw/zinc/15/42/35/909154235.db2.gz	QVDXZSIVHQPEJW-UHFFFAOYSA-N	-1	1	369.175	1.884	20	10		FDCDMM
CS(C)(=O)=NS(=O)(=O)[N-]Cc1cccc(Br)c1O	ZINC000867194814	971876834	/nfs/dbraw/zinc/87/68/34/971876834.db2.gz	HOLJHMMNZYPSAZ-UHFFFAOYSA-N	-1	1	357.251	1.217	20	10		FDCDMM
CN1CCN(c2ccc(CNC(=O)Nc3cncc(C(=O)[O-])c3)cc2)CC1	ZINC001593787254	954718650	/nfs/dbraw/zinc/71/86/50/954718650.db2.gz	YFSZFGFZDSDATA-UHFFFAOYSA-N	-1	1	369.425	1.853	20	10		FDCDMM
COC(=O)[C@H](CC(=O)NCC(=O)c1ccc([O-])c(O)c1)Cc1ccccc1	ZINC001182805052	962530187	/nfs/dbraw/zinc/53/01/87/962530187.db2.gz	MTMFSMKEXRMGDT-HNNXBMFYSA-N	-1	1	371.389	1.819	20	10		FDCDMM
COc1c([O-])c(CN2CC[C@H]3CS(=O)(=O)C[C@@H]3C2)ccc1[N+](=O)[O-]	ZINC001183672329	963214936	/nfs/dbraw/zinc/21/49/36/963214936.db2.gz	LAKVNVKQOLGSBU-RYUDHWBXSA-N	-1	1	356.400	1.176	20	10		FDCDMM
Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)N[C@H]3C[C@H](O)C3(C)C)cc12	ZINC001184359820	963541018	/nfs/dbraw/zinc/54/10/18/963541018.db2.gz	LURKEFKTLTZXMN-IRXDYDNUSA-N	-1	1	374.437	1.514	20	10		FDCDMM
Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)N[C@@H]3CCO[C@H](C)C3)cc12	ZINC001184359303	963542176	/nfs/dbraw/zinc/54/21/76/963542176.db2.gz	DANNWWSYOTVZPK-UKRRQHHQSA-N	-1	1	374.437	1.923	20	10		FDCDMM
Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)NCc3cc[nH]c3)cc12	ZINC001184360336	963542305	/nfs/dbraw/zinc/54/23/05/963542305.db2.gz	NIOHSPNMWCRKDX-UHFFFAOYSA-N	-1	1	355.394	1.883	20	10		FDCDMM
Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)NCc3ccncn3)cc12	ZINC001184362187	963543341	/nfs/dbraw/zinc/54/33/41/963543341.db2.gz	NYLMBMANQLGYCP-UHFFFAOYSA-N	-1	1	368.393	1.345	20	10		FDCDMM
COc1c([O-])c(CN2CCN(C(=O)N3CCCC3)CC2)ccc1[N+](=O)[O-]	ZINC000774837292	963842747	/nfs/dbraw/zinc/84/27/47/963842747.db2.gz	PBTPWDOHULPTJE-UHFFFAOYSA-N	-1	1	364.402	1.642	20	10		FDCDMM
O=C(Cc1csc(Br)n1)NCC(=O)c1ccc([O-])c(O)c1	ZINC001178293869	964175828	/nfs/dbraw/zinc/17/58/28/964175828.db2.gz	ZHBFVYCYCBGHPA-UHFFFAOYSA-N	-1	1	371.212	1.858	20	10		FDCDMM
Cc1ncc(Br)c(C(=O)NCC(=O)c2ccc([O-])c(O)c2)n1	ZINC001191244616	968380139	/nfs/dbraw/zinc/38/01/39/968380139.db2.gz	MCGMYDVBJOBROG-UHFFFAOYSA-N	-1	1	366.171	1.571	20	10		FDCDMM
Cc1nn(-c2ccccc2)nc1C(=O)NCC(=O)c1ccc([O-])c(O)c1	ZINC001192548646	969158901	/nfs/dbraw/zinc/15/89/01/969158901.db2.gz	XMMLEUSSLMERRS-UHFFFAOYSA-N	-1	1	352.350	1.600	20	10		FDCDMM
O=C(CNC(=O)c1cnc(OC2CCOCC2)nc1)c1ccc([O-])c(O)c1	ZINC001199517399	974337342	/nfs/dbraw/zinc/33/73/42/974337342.db2.gz	COMGJOZPZWOZDX-UHFFFAOYSA-N	-1	1	373.365	1.058	20	10		FDCDMM
CN1CCCc2cc(C[N-]S(=O)(=O)c3ncccc3[N+](=O)[O-])ccc21	ZINC000849372054	977469167	/nfs/dbraw/zinc/46/91/67/977469167.db2.gz	DVQMFIAKKNZTAJ-UHFFFAOYSA-N	-1	1	362.411	1.851	20	10		FDCDMM
O=S(=O)(NCc1cccc(Br)c1[O-])[C@H]1C[C@@H]2CC[C@H]1O2	ZINC000882132216	980440047	/nfs/dbraw/zinc/44/00/47/980440047.db2.gz	UONFUQZREKZVQB-WCQGTBRESA-N	-1	1	362.245	1.894	20	10		FDCDMM
Cn1[n-]cc2/c(=N\C(=O)NCc3ccc(N4CCOCC4)cc3)ccnc1-2	ZINC000287003845	999953842	/nfs/dbraw/zinc/95/38/42/999953842.db2.gz	BHMLIVZQLCNIPS-QJOMJCCJSA-N	-1	1	366.425	1.500	20	10		FDCDMM
COCCN1C(=O)C(=CNc2cc([N+](=O)[O-])ccc2C)C(=O)[N-]C1=S	ZINC000060860962	522421153	/nfs/dbraw/zinc/42/11/53/522421153.db2.gz	SEZCIXRJACZJAT-FLIBITNWSA-N	-1	1	364.383	1.089	20	10		FDCDMM
O=C(c1c([O-])c(O)ccc1F)N1CCN(c2ncccc2[N+](=O)[O-])CC1	ZINC000298246739	537718137	/nfs/dbraw/zinc/71/81/37/537718137.db2.gz	DLIWQFKRYRCIMZ-UHFFFAOYSA-N	-1	1	362.317	1.503	20	10		FDCDMM
O=C([O-])/C=C/c1ccc(N2CC[C@H](CN3CCOCC3)C2)c([N+](=O)[O-])c1	ZINC000833195517	600819555	/nfs/dbraw/zinc/81/95/55/600819555.db2.gz	GHYUELMUXCLSRD-TXTHVTMNSA-N	-1	1	361.398	1.851	20	10		FDCDMM
O=C([O-])C[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1cc(Cl)ccc1[O-]	ZINC000833248516	601115584	/nfs/dbraw/zinc/11/55/84/601115584.db2.gz	ONDDBYCNGPSTCR-UHFFFAOYSA-N	-1	1	354.750	1.737	20	10		FDCDMM
O=C([O-])C[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1cc(Cl)ccc1[O-]	ZINC000833248516	601115586	/nfs/dbraw/zinc/11/55/86/601115586.db2.gz	ONDDBYCNGPSTCR-UHFFFAOYSA-N	-1	1	354.750	1.737	20	10		FDCDMM
C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)NCCCSc1nccs1	ZINC000833624889	605143419	/nfs/dbraw/zinc/14/34/19/605143419.db2.gz	LOYWQFUBXMMRML-LBPRGKRZSA-N	-1	1	372.516	1.816	20	10		FDCDMM
O=C([O-])NC1(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CC1	ZINC000832155956	605294689	/nfs/dbraw/zinc/29/46/89/605294689.db2.gz	VIPTXURSBJLZBO-ZDUSSCGKSA-N	-1	1	367.833	1.926	20	10		FDCDMM
CCc1nnc(-c2ccc(NC(=O)C3=S=C(c4nn[n-]n4)C=C3)cc2)o1	ZINC000821517551	606579104	/nfs/dbraw/zinc/57/91/04/606579104.db2.gz	KJYAXYGNDYNMGB-UHFFFAOYSA-N	-1	1	367.394	1.447	20	10		FDCDMM
C[C@H]1OCC[C@H]1S(=O)(=O)NCc1cccc(Br)c1[O-]	ZINC000277486289	674952742	/nfs/dbraw/zinc/95/27/42/674952742.db2.gz	MYOJPTGCGMKTCR-LDYMZIIASA-N	-1	1	350.234	1.752	20	10		FDCDMM
C[C@@H](CS(C)(=O)=O)C(=O)NCc1cccc(Br)c1[O-]	ZINC000277561330	674967970	/nfs/dbraw/zinc/96/79/70/674967970.db2.gz	PLRLJEHLRFGKQV-QMMMGPOBSA-N	-1	1	350.234	1.452	20	10		FDCDMM
CCCS(=O)(=O)CC(=O)NCc1cccc(Br)c1[O-]	ZINC000277659667	674991476	/nfs/dbraw/zinc/99/14/76/674991476.db2.gz	ZUPQBFXXEJOIJV-UHFFFAOYSA-N	-1	1	350.234	1.596	20	10		FDCDMM
COc1c([O-])c(CN2CCN(C3=NC[C@@H](C)S3)CC2)ccc1[N+](=O)[O-]	ZINC000278258985	675113253	/nfs/dbraw/zinc/11/32/53/675113253.db2.gz	QCYDGFQKJNNCCK-LLVKDONJSA-N	-1	1	366.443	1.918	20	10		FDCDMM
C[N-]S(=O)(=O)c1ccc(C(=O)N2CCOc3cc(N(C)C)ccc32)o1	ZINC000266363307	673111294	/nfs/dbraw/zinc/11/12/94/673111294.db2.gz	SDMCRGYIOIAHEB-UHFFFAOYSA-N	-1	1	365.411	1.293	20	10		FDCDMM
COc1c([O-])c(CN2CCC[C@@H](CS(C)(=O)=O)C2)ccc1[N+](=O)[O-]	ZINC000294029599	676373763	/nfs/dbraw/zinc/37/37/63/676373763.db2.gz	VMYFBCZTHOYCBU-LLVKDONJSA-N	-1	1	358.416	1.566	20	10		FDCDMM
O=C(NCc1ccccc1CN1CCOCC1)c1c(F)ccc(O)c1[O-]	ZINC000276686365	778906504	/nfs/dbraw/zinc/90/65/04/778906504.db2.gz	PKPRVNHFZAZHED-UHFFFAOYSA-N	-1	1	360.385	1.999	20	10		FDCDMM
O=C(NCCCN1CCCS1(=O)=O)NCc1cccc(Cl)c1[O-]	ZINC000892651007	788028419	/nfs/dbraw/zinc/02/84/19/788028419.db2.gz	PVFCRPUFUNKOSF-UHFFFAOYSA-N	-1	1	361.851	1.270	20	10		FDCDMM
O=C([O-])[C@@H]1CCC[N@H+](CC(=O)NCc2cc(Br)ccc2O)C1	ZINC000911554710	858757320	/nfs/dbraw/zinc/75/73/20/858757320.db2.gz	CUGUEZPJFRPDLT-SNVBAGLBSA-N	-1	1	371.231	1.568	20	10		FDCDMM
O=C([O-])[C@@H]1CCCN(CC(=O)NCc2cc(Br)ccc2O)C1	ZINC000911554710	858757328	/nfs/dbraw/zinc/75/73/28/858757328.db2.gz	CUGUEZPJFRPDLT-SNVBAGLBSA-N	-1	1	371.231	1.568	20	10		FDCDMM
O=C(COC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc([O-])c(O)c1	ZINC000916591526	881789287	/nfs/dbraw/zinc/78/92/87/881789287.db2.gz	RLXVNOQWBCPCIA-HNNXBMFYSA-N	-1	1	369.373	1.872	20	10		FDCDMM
CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CC(=O)N2C	ZINC000766047382	882132371	/nfs/dbraw/zinc/13/23/71/882132371.db2.gz	GQIXSQOIDZPEEY-UHFFFAOYSA-N	-1	1	360.391	1.915	20	10		FDCDMM
Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NCCc1ccc(O)c(O)c1	ZINC000762269149	875639895	/nfs/dbraw/zinc/63/98/95/875639895.db2.gz	YMMUBOWGQJKIOX-UHFFFAOYSA-N	-1	1	370.409	1.754	20	10		FDCDMM
COC(=O)c1cccc(NC=C2C(=O)[N-]C(=S)N(CC(C)C)C2=O)c1	ZINC000920979065	887362153	/nfs/dbraw/zinc/36/21/53/887362153.db2.gz	SJWUGUYJGQAEEQ-MDWZMJQESA-N	-1	1	361.423	1.668	20	10		FDCDMM
CN1C[C@H](C(=O)OCC(=O)c2ccc([O-])c(O)c2)c2ccccc2C1=O	ZINC000787093080	932157657	/nfs/dbraw/zinc/15/76/57/932157657.db2.gz	JLYDMZIWDZIRAP-AWEZNQCLSA-N	-1	1	355.346	1.693	20	10		FDCDMM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2ccc3c(c2)C(=O)OC3)c1	ZINC000813869908	941487830	/nfs/dbraw/zinc/48/78/30/941487830.db2.gz	OPPGJJRHJSIYCW-UHFFFAOYSA-N	-1	1	362.363	1.686	20	10		FDCDMM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2nc(CCO)cs2)c1	ZINC000816706104	942320098	/nfs/dbraw/zinc/32/00/98/942320098.db2.gz	ITIXOOPVXNQMBM-UHFFFAOYSA-N	-1	1	357.413	1.007	20	10		FDCDMM
CNC(=O)[C@]1(C(F)(F)F)CCN(C(=O)c2c(F)ccc(O)c2[O-])C1	ZINC000844154269	947784971	/nfs/dbraw/zinc/78/49/71/947784971.db2.gz	XGQQDWFCTWTNRP-ZDUSSCGKSA-N	-1	1	350.268	1.378	20	10		FDCDMM
O=C(CNC(=O)[C@H]1CCCN(c2ccncn2)C1)c1ccc([O-])c(O)c1	ZINC001178137361	964111264	/nfs/dbraw/zinc/11/12/64/964111264.db2.gz	VMAMFGIQVQGGBV-ZDUSSCGKSA-N	-1	1	356.382	1.103	20	10		FDCDMM
CC(=O)NC[C@H](C(=O)NCC(=O)c1ccc([O-])c(O)c1)c1ccccc1	ZINC001185963965	964235104	/nfs/dbraw/zinc/23/51/04/964235104.db2.gz	DRDFKECWGOUAMN-HNNXBMFYSA-N	-1	1	356.378	1.317	20	10		FDCDMM
COC(=O)c1cc(O)ccc1NS(=O)(=O)c1cccc(C(=O)[O-])c1C	ZINC000775287873	967204822	/nfs/dbraw/zinc/20/48/22/967204822.db2.gz	RIZWLUPQOZJFDF-UHFFFAOYSA-N	-1	1	365.363	1.986	20	10		FDCDMM
COc1ccc(-n2cc(C(=O)NCC(=O)c3ccc([O-])c(O)c3)cn2)cc1	ZINC001189738565	967243595	/nfs/dbraw/zinc/24/35/95/967243595.db2.gz	PEHVCLRRXBNAET-UHFFFAOYSA-N	-1	1	367.361	1.905	20	10		FDCDMM
COC(=O)[C@@H]1C[C@@H]1c1ccc(C(=O)NCC(=O)c2ccc([O-])c(O)c2)cc1	ZINC001192213059	968996781	/nfs/dbraw/zinc/99/67/81/968996781.db2.gz	ZVTAJRLDTSIQQM-HUUCEWRRSA-N	-1	1	369.373	1.987	20	10		FDCDMM
CCOc1ccc(S(=O)(=O)Nc2cccc(O)c2O)cc1C(=O)[O-]	ZINC001192640378	969220491	/nfs/dbraw/zinc/22/04/91/969220491.db2.gz	YWFDUEKNIUTIAI-UHFFFAOYSA-N	-1	1	353.352	1.996	20	10		FDCDMM
COC(=O)[C@@H](Cc1cccnc1)NC(=O)c1ccc(O)c([O-])c1Cl	ZINC001193255140	969582674	/nfs/dbraw/zinc/58/26/74/969582674.db2.gz	PFCPFNUOZAZOBV-LLVKDONJSA-N	-1	1	350.758	1.660	20	10		FDCDMM
Cc1cc(S(=O)(=O)[N-]Cc2ccc(N3CCOCC3)cc2)sn1	ZINC000866582068	975807860	/nfs/dbraw/zinc/80/78/60/975807860.db2.gz	GIIYYRVRZOFBKT-UHFFFAOYSA-N	-1	1	353.469	1.767	20	10		FDCDMM
O=C(N[C@H]1CC(=O)N(CCOc2ccccc2)C1)c1c(F)ccc(O)c1[O-]	ZINC000826069029	994187457	/nfs/dbraw/zinc/18/74/57/994187457.db2.gz	QQJAXAWVJRIYMO-LBPRGKRZSA-N	-1	1	374.368	1.647	20	10		FDCDMM
CC[C@H]1CN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C[C@H](C)S1(=O)=O	ZINC000289875096	537613085	/nfs/dbraw/zinc/61/30/85/537613085.db2.gz	RPIACDVDBFGKTC-JQWIXIFHSA-N	-1	1	358.416	1.707	20	10		FDCDMM
CCN1CCN(c2ccc(CNC(=O)NCCC(=O)[O-])cc2F)CC1	ZINC000818207564	597227045	/nfs/dbraw/zinc/22/70/45/597227045.db2.gz	JZPGJXNSAVAGES-UHFFFAOYSA-N	-1	1	352.410	1.242	20	10		FDCDMM
O=C(Nc1ccc2cc([N+](=O)[O-])ccc2n1)C1=S=CC(c2nn[n-]n2)=C1	ZINC000823356272	606622977	/nfs/dbraw/zinc/62/29/77/606622977.db2.gz	KJNPTYFIHXOVQP-UHFFFAOYSA-N	-1	1	367.350	1.400	20	10		FDCDMM
O=C(Nc1ccc2cc([N+](=O)[O-])ccc2n1)C1=S=C(c2nn[n-]n2)C=C1	ZINC000823356924	606623089	/nfs/dbraw/zinc/62/30/89/606623089.db2.gz	RRAZVAIBLLWBFX-UHFFFAOYSA-N	-1	1	367.350	1.291	20	10		FDCDMM
CC(C)(C)OC(=O)Cc1noc(-c2cc(NS(C)(=O)=O)ccc2[O-])n1	ZINC000274192895	674586684	/nfs/dbraw/zinc/58/66/84/674586684.db2.gz	MALCFAWMBOQJIN-UHFFFAOYSA-N	-1	1	369.399	1.698	20	10		FDCDMM
COc1c([O-])c(CN2CCC[C@H](CS(C)(=O)=O)C2)ccc1[N+](=O)[O-]	ZINC000294029603	676373755	/nfs/dbraw/zinc/37/37/55/676373755.db2.gz	VMYFBCZTHOYCBU-NSHDSACASA-N	-1	1	358.416	1.566	20	10		FDCDMM
CNS(=O)(=O)[C@H]1CCCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C1	ZINC000371866240	677795933	/nfs/dbraw/zinc/79/59/33/677795933.db2.gz	GJRVYEVNHVVGRQ-ZDUSSCGKSA-N	-1	1	360.863	1.762	20	10		FDCDMM
O=C(NCc1ccc(N2CCOCC2)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000274927057	771007776	/nfs/dbraw/zinc/00/77/76/771007776.db2.gz	ZHGGKWCIEBKWNY-UHFFFAOYSA-N	-1	1	358.354	1.462	20	10		FDCDMM
O=S(=O)([N-]c1ccc(O)cc1)c1ccc(S(=O)(=O)NC2CC2)cc1	ZINC000912979361	861146292	/nfs/dbraw/zinc/14/62/92/861146292.db2.gz	LGMBNKSEXNDNTH-UHFFFAOYSA-N	-1	1	368.436	1.634	20	10		FDCDMM
COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCC(=O)[O-]	ZINC000033296829	883344413	/nfs/dbraw/zinc/34/44/13/883344413.db2.gz	AWXFAHGKEJTZSI-ZROIWOOFSA-N	-1	1	368.345	1.620	20	10		FDCDMM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2cc(C(F)(F)F)n[nH]2)c1	ZINC000746289997	927724222	/nfs/dbraw/zinc/72/42/22/927724222.db2.gz	GFBXOUHDCQSWIF-UHFFFAOYSA-N	-1	1	364.305	1.758	20	10		FDCDMM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2cccc3c2CNC3=O)c1	ZINC000805240618	938697961	/nfs/dbraw/zinc/69/79/61/938697961.db2.gz	VMWSQDIOJZBPSN-UHFFFAOYSA-N	-1	1	361.379	1.259	20	10		FDCDMM
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3ccc([O-])cn3)cc2)C1	ZINC001136340280	944047214	/nfs/dbraw/zinc/04/72/14/944047214.db2.gz	KPVPLPSWUZZZNT-AWEZNQCLSA-N	-1	1	354.410	1.419	20	10		FDCDMM
CCN(CC)c1ccc(CNC(=O)Cc2noc(C)c2-c2nnn[n-]2)cc1	ZINC000825416907	947236874	/nfs/dbraw/zinc/23/68/74/947236874.db2.gz	NECQFPDDNOOPIL-UHFFFAOYSA-N	-1	1	369.429	1.868	20	10		FDCDMM
CCN(CC)c1ccc(CNC(=O)Cc2noc(C)c2-c2nn[n-]n2)cc1	ZINC000825416907	947236882	/nfs/dbraw/zinc/23/68/82/947236882.db2.gz	NECQFPDDNOOPIL-UHFFFAOYSA-N	-1	1	369.429	1.868	20	10		FDCDMM
COC(=O)c1cc(S(=O)(=O)Nc2ccc([O-])c(F)c2F)ccc1O	ZINC001197234217	972166203	/nfs/dbraw/zinc/16/62/03/972166203.db2.gz	BICARPLNNJVRPT-UHFFFAOYSA-N	-1	1	359.306	1.963	20	10		FDCDMM
O=C([O-])COCC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	ZINC001354071274	962713120	/nfs/dbraw/zinc/71/31/20/962713120.db2.gz	DGICLOIKLGFYFJ-ZDUSSCGKSA-N	-1	1	356.806	1.227	20	10		FDCDMM
Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)NC[C@@H]3CCO[C@@H]3C)cc12	ZINC001184361572	963543433	/nfs/dbraw/zinc/54/34/33/963543433.db2.gz	IQHVWTGOXWLFIM-KGLIPLIRSA-N	-1	1	374.437	1.780	20	10		FDCDMM
CC(=O)NC[C@@H](C(=O)NCC(=O)c1ccc([O-])c(O)c1)c1ccccc1	ZINC001185963966	964235234	/nfs/dbraw/zinc/23/52/34/964235234.db2.gz	DRDFKECWGOUAMN-OAHLLOKOSA-N	-1	1	356.378	1.317	20	10		FDCDMM
COc1c([O-])c(CN2CCN(CC(C)C)C(=O)[C@@H]2C)ccc1[N+](=O)[O-]	ZINC000775091339	965030683	/nfs/dbraw/zinc/03/06/83/965030683.db2.gz	XKGJFQYNRZQGFN-LBPRGKRZSA-N	-1	1	351.403	1.998	20	10		FDCDMM
COc1ccc(N2CCN(CCCNC(=O)c3cc(=O)n(C)[n-]3)CC2)cc1	ZINC000854309732	968763524	/nfs/dbraw/zinc/76/35/24/968763524.db2.gz	NEFMANQOIIYGCY-UHFFFAOYSA-N	-1	1	373.457	1.076	20	10		FDCDMM
CS(=O)(=O)c1ccc(CNC(=O)c2ccc(O)c([O-])c2Cl)nc1	ZINC001193236749	969565168	/nfs/dbraw/zinc/56/51/68/969565168.db2.gz	PUIQTTFFPOYEJZ-UHFFFAOYSA-N	-1	1	356.787	1.480	20	10		FDCDMM
CC(C)(C)OC(=O)N1CCOC[C@H]1CNC(=O)c1c(F)ccc(O)c1[O-]	ZINC000863940738	973304238	/nfs/dbraw/zinc/30/42/38/973304238.db2.gz	NBCZGNHSFIXHFD-SNVBAGLBSA-N	-1	1	370.377	1.603	20	10		FDCDMM
CN(CCOCCNC(=O)OC(C)(C)C)C(=O)c1c(F)ccc(O)c1[O-]	ZINC000863942604	973305833	/nfs/dbraw/zinc/30/58/33/973305833.db2.gz	UYRICFCRIHGYQJ-UHFFFAOYSA-N	-1	1	372.393	1.850	20	10		FDCDMM
Cc1nn(-c2cccnc2)c(C)c1C(=O)NCC(=O)c1ccc([O-])c(O)c1	ZINC001198637914	973342533	/nfs/dbraw/zinc/34/25/33/973342533.db2.gz	GPCWQGKPGQSKBV-UHFFFAOYSA-N	-1	1	366.377	1.908	20	10		FDCDMM
O=C(c1c(F)ccc(O)c1[O-])N1CC2(CC(=O)N2Cc2ccccc2)C1	ZINC000881434524	979939584	/nfs/dbraw/zinc/93/95/84/979939584.db2.gz	YZJBCSMPWYHHMX-UHFFFAOYSA-N	-1	1	356.353	1.864	20	10		FDCDMM
O=C(NCc1cnc(N2CCOCC2)c(F)c1)c1c(F)ccc(O)c1[O-]	ZINC000296428768	989200473	/nfs/dbraw/zinc/20/04/73/989200473.db2.gz	YEQBEIVSBVNKDC-UHFFFAOYSA-N	-1	1	365.336	1.538	20	10		FDCDMM
CN(C)c1ccc(CN(C)C(=O)CN[C@@H](C(=O)[O-])C2CCOCC2)cc1	ZINC001598518995	992655819	/nfs/dbraw/zinc/65/58/19/992655819.db2.gz	BUWBLDZLRJRURR-GOSISDBHSA-N	-1	1	363.458	1.180	20	10		FDCDMM
COC(=O)[C@H]1CN(C)CCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C1	ZINC001598817329	996284528	/nfs/dbraw/zinc/28/45/28/996284528.db2.gz	GPKDGNHYUGWINT-BPJJOFIESA-N	-1	1	363.370	1.234	20	10		FDCDMM
C[C@H](S[C@@H](C)C(=O)NCc1ccc(N2CCN(C)CC2)cc1)C(=O)[O-]	ZINC000887313918	997153145	/nfs/dbraw/zinc/15/31/45/997153145.db2.gz	NWGIYTAEQYDPOW-KBPBESRZSA-N	-1	1	365.499	1.649	20	10		FDCDMM
CCCc1cc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])n(C)n1	ZINC000271363430	674336700	/nfs/dbraw/zinc/33/67/00/674336700.db2.gz	GUFPZLOHRPUHRH-UHFFFAOYSA-N	-1	1	352.416	1.702	20	10		FDCDMM
C[N-]S(=O)(=O)c1ccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)o1	ZINC000032806417	519541670	/nfs/dbraw/zinc/54/16/70/519541670.db2.gz	FWDBGNXENZQTHT-UHFFFAOYSA-N	-1	1	351.428	1.526	20	10		FDCDMM
CC(C)CN1C(=O)C(=CNCc2ccc3c(c2)OCO3)C(=O)[N-]C1=S	ZINC000060860696	522420067	/nfs/dbraw/zinc/42/00/67/522420067.db2.gz	IYNNTQLZEATEMM-GHXNOFRVSA-N	-1	1	361.423	1.288	20	10		FDCDMM
CC(C)CN1C(=O)C(=CNc2cccc(-c3nn[nH]n3)c2)C(=O)[N-]C1=S	ZINC000299272686	537529863	/nfs/dbraw/zinc/52/98/63/537529863.db2.gz	VDQLCUZWDHBMCL-GHXNOFRVSA-N	-1	1	371.426	1.062	20	10		FDCDMM
CC(=O)NCC[N@H+](Cc1cc(Cl)cc(C(C)=O)c1[O-])[C@@H](C)C(=O)[O-]	ZINC000817872960	597675113	/nfs/dbraw/zinc/67/51/13/597675113.db2.gz	UHIHOEBZOLOUMV-VIFPVBQESA-N	-1	1	356.806	1.659	20	10		FDCDMM
CC(=O)NCC[N@@H+](Cc1cc(Cl)cc(C(C)=O)c1[O-])[C@@H](C)C(=O)[O-]	ZINC000817872960	597675114	/nfs/dbraw/zinc/67/51/14/597675114.db2.gz	UHIHOEBZOLOUMV-VIFPVBQESA-N	-1	1	356.806	1.659	20	10		FDCDMM
COc1ccc(N2CCCN(c3cccc(-c4nnn[n-]4)n3)CC2)cc1	ZINC000737098105	599414797	/nfs/dbraw/zinc/41/47/97/599414797.db2.gz	BTJOQCVLIQARPD-UHFFFAOYSA-N	-1	1	351.414	1.987	20	10		FDCDMM
COc1ccc(N2CCCN(c3cccc(-c4nn[n-]n4)n3)CC2)cc1	ZINC000737098105	599414800	/nfs/dbraw/zinc/41/48/00/599414800.db2.gz	BTJOQCVLIQARPD-UHFFFAOYSA-N	-1	1	351.414	1.987	20	10		FDCDMM
CC[C@@H]1CN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CCN1C[C@@H](C)O	ZINC000736942872	600213737	/nfs/dbraw/zinc/21/37/37/600213737.db2.gz	FSVNZNXIIZJDPO-RLWBPUTGSA-N	-1	1	363.414	1.974	20	10		FDCDMM
O=C(Cn1cc(Br)c(=O)c([N+](=O)[O-])c1)c1ccc([O-])c(O)c1	ZINC000132871562	671816683	/nfs/dbraw/zinc/81/66/83/671816683.db2.gz	NOUWYMINOSDLMC-UHFFFAOYSA-N	-1	1	369.127	1.813	20	10		FDCDMM
CO[C@@H]1COC[C@H]1n1cc(CN[C@H](C)c2ccc(F)c(F)c2[O-])nn1	ZINC000289618948	676159270	/nfs/dbraw/zinc/15/92/70/676159270.db2.gz	DMBBGZVTLKLCMF-OWYVNGRQSA-N	-1	1	354.357	1.699	20	10		FDCDMM
CS(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1	ZINC000294781370	676397163	/nfs/dbraw/zinc/39/71/63/676397163.db2.gz	BSLDZULRBVDKRC-SNVBAGLBSA-N	-1	1	350.843	1.946	20	10		FDCDMM
CC(C)(C)S(=O)(=O)N1CCC(NC(=O)c2c(F)ccc(O)c2[O-])CC1	ZINC000295785659	676410181	/nfs/dbraw/zinc/41/01/81/676410181.db2.gz	USIPGLUCWNQCHK-UHFFFAOYSA-N	-1	1	374.434	1.559	20	10		FDCDMM
CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]Cc1ccc2c(c1)CCN2C	ZINC000370428349	677577139	/nfs/dbraw/zinc/57/71/39/677577139.db2.gz	NXWVLSHORJNGCO-UHFFFAOYSA-N	-1	1	364.427	1.057	20	10		FDCDMM
CC(=O)c1cc(Cl)cc(CN2CCN3C(=O)N(C)C(=O)[C@@H]3C2)c1[O-]	ZINC000375858905	678186133	/nfs/dbraw/zinc/18/61/33/678186133.db2.gz	HSMJZEADOONKMQ-ZDUSSCGKSA-N	-1	1	351.790	1.326	20	10		FDCDMM
Cn1cc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c2ccccc2c1=O	ZINC000784968021	772274378	/nfs/dbraw/zinc/27/43/78/772274378.db2.gz	MIZJMTFGMYZAME-UHFFFAOYSA-N	-1	1	353.330	1.989	20	10		FDCDMM
Cc1ccc([C@@H](CNC(=O)c2c(F)ccc(O)c2[O-])N2CCOCC2)o1	ZINC000276771217	779446173	/nfs/dbraw/zinc/44/61/73/779446173.db2.gz	YIACPGUICDCECP-CYBMUJFWSA-N	-1	1	364.373	1.942	20	10		FDCDMM
CCOC(=O)N1CCC[C@@H](C(=O)OCC(=O)c2ccc([O-])c(O)c2)C1	ZINC000782671075	786019758	/nfs/dbraw/zinc/01/97/58/786019758.db2.gz	AQBXKHXYKXRCBT-GFCCVEGCSA-N	-1	1	351.355	1.692	20	10		FDCDMM
O=C(COC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)c1ccc([O-])c(O)c1	ZINC000782750287	787475823	/nfs/dbraw/zinc/47/58/23/787475823.db2.gz	XVEYKUXMVBOWGP-CYBMUJFWSA-N	-1	1	355.346	1.877	20	10		FDCDMM
Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCc1ccc2c(c1)CCN2C	ZINC000364437778	795990785	/nfs/dbraw/zinc/99/07/85/795990785.db2.gz	BYCJKDQQWQOGHE-UHFFFAOYSA-N	-1	1	365.437	1.903	20	10		FDCDMM
CCCCC(=O)N1CSC[C@H]1C(=O)OCC(=O)c1ccc([O-])c(O)c1	ZINC000783522493	822588771	/nfs/dbraw/zinc/58/87/71/822588771.db2.gz	MGUZPDQJWMDRLD-LBPRGKRZSA-N	-1	1	367.423	1.915	20	10		FDCDMM
CC[C@@H](C(=O)[O-])C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1	ZINC000911352575	858504393	/nfs/dbraw/zinc/50/43/93/858504393.db2.gz	NTQPNKGRZDRBAF-CQSZACIVSA-N	-1	1	351.422	1.695	20	10		FDCDMM
CS(=O)(=O)Nc1ccc([O-])c(-c2nc(COCC(F)(F)F)no2)c1	ZINC000761463727	869050316	/nfs/dbraw/zinc/05/03/16/869050316.db2.gz	OAUXCVRWHPYFNU-UHFFFAOYSA-N	-1	1	367.305	1.893	20	10		FDCDMM
COC(=O)c1cccc(NC=C2C(=O)[N-]C(=S)N(CC(C)C)C2=O)c1	ZINC000920979064	887362318	/nfs/dbraw/zinc/36/23/18/887362318.db2.gz	SJWUGUYJGQAEEQ-JYRVWZFOSA-N	-1	1	361.423	1.668	20	10		FDCDMM
CCNC(=O)c1cccc(NC=C2C(=O)[N-]C(=S)N(CC(C)C)C2=O)c1	ZINC000920979386	887363834	/nfs/dbraw/zinc/36/38/34/887363834.db2.gz	KKPFVWOZUGKXGS-ZROIWOOFSA-N	-1	1	374.466	1.631	20	10		FDCDMM
CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(O)cc1F	ZINC000780402787	905532576	/nfs/dbraw/zinc/53/25/76/905532576.db2.gz	UVCAWLUNJDLCMK-UHFFFAOYSA-N	-1	1	374.415	1.582	20	10		FDCDMM
CC(C)NC(=O)CN(C)CC(=O)NCc1cccc(Br)c1[O-]	ZINC000765754985	908813423	/nfs/dbraw/zinc/81/34/23/908813423.db2.gz	ZEUQDKQSRSXXLJ-UHFFFAOYSA-N	-1	1	372.263	1.227	20	10		FDCDMM
COC(=O)c1ccnc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1	ZINC000734026476	922826897	/nfs/dbraw/zinc/82/68/97/922826897.db2.gz	SSFXSNNDANHQAI-UHFFFAOYSA-N	-1	1	365.367	1.198	20	10		FDCDMM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2ccnn2CC2CC2)c1	ZINC000770016870	929799617	/nfs/dbraw/zinc/79/96/17/929799617.db2.gz	QVLPTZCRXUSWLC-UHFFFAOYSA-N	-1	1	350.400	1.623	20	10		FDCDMM
CCCNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)cc2)cc1	ZINC000808066528	940515048	/nfs/dbraw/zinc/51/50/48/940515048.db2.gz	QBRSYRCFQVJZFY-UHFFFAOYSA-N	-1	1	370.452	1.881	20	10		FDCDMM
O=C([O-])[C@H]1CC(=O)N(C2CC[NH+](Cc3ccc(Cl)cc3[O-])CC2)C1	ZINC001594897618	954581252	/nfs/dbraw/zinc/58/12/52/954581252.db2.gz	AJQZZGDDMIUJIZ-LBPRGKRZSA-N	-1	1	352.818	1.943	20	10		FDCDMM
CC[C@H](COC)NC(=O)CN(C)Cc1cc2c(C)cc(=O)oc2cc1[O-]	ZINC001184360335	963541990	/nfs/dbraw/zinc/54/19/90/963541990.db2.gz	NHLBSODGJHHTNX-CQSZACIVSA-N	-1	1	362.426	1.780	20	10		FDCDMM
O=C(CCC(=O)N1CCc2ccccc21)NCC(=O)c1ccc([O-])c(O)c1	ZINC001180029251	965083023	/nfs/dbraw/zinc/08/30/23/965083023.db2.gz	CEOSAFZENSUATH-UHFFFAOYSA-N	-1	1	368.389	1.766	20	10		FDCDMM
COC(=O)[C@H](NCc1ccc([N+](=O)[O-])c(OC)c1[O-])c1ccn(C)n1	ZINC000775101210	965084468	/nfs/dbraw/zinc/08/44/68/965084468.db2.gz	JVCVGWNOLGKRRJ-GFCCVEGCSA-N	-1	1	350.331	1.046	20	10		FDCDMM
COc1ccc(OC)c(C(=O)NCC(=O)c2ccc([O-])c(O)c2)c1OC	ZINC001191624559	968632211	/nfs/dbraw/zinc/63/22/11/968632211.db2.gz	UOKFBGLYTVVYOD-UHFFFAOYSA-N	-1	1	361.350	1.736	20	10		FDCDMM
CCOC(=O)c1c2c(nn1C)CN(C(=O)c1ccc(O)c([O-])c1Cl)C2	ZINC001193232798	969563720	/nfs/dbraw/zinc/56/37/20/969563720.db2.gz	PEJOCZZGXGBRMO-UHFFFAOYSA-N	-1	1	365.773	1.817	20	10		FDCDMM
O=C(CNS(=O)(=O)Cc1noc2ccccc21)c1ccc([O-])c(O)c1	ZINC001194119786	970001420	/nfs/dbraw/zinc/00/14/20/970001420.db2.gz	KXXCXNGGPGJLHU-UHFFFAOYSA-N	-1	1	362.363	1.541	20	10		FDCDMM
O=C(CNC(=O)c1ccc(N2CCOCC2)cc1F)c1ccc([O-])c(O)c1	ZINC001194508626	970226150	/nfs/dbraw/zinc/22/61/50/970226150.db2.gz	KBMRUPKRZFIXDM-UHFFFAOYSA-N	-1	1	374.368	1.686	20	10		FDCDMM
CC(C)(C)OC(=O)NCCCOCCNC(=O)c1c(F)ccc(O)c1[O-]	ZINC000863942131	973305413	/nfs/dbraw/zinc/30/54/13/973305413.db2.gz	MGACBMICWIMYAX-UHFFFAOYSA-N	-1	1	372.393	1.898	20	10		FDCDMM
COc1ccc(O)c([C@@H](C)[N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])c1	ZINC000859007205	982453813	/nfs/dbraw/zinc/45/38/13/982453813.db2.gz	VQHMORCGQKUMCP-MRVPVSSYSA-N	-1	1	356.360	1.082	20	10		FDCDMM
C[C@@H](S[C@@H](C)C(=O)NCc1ccc(N2CCN(C)CC2)cc1)C(=O)[O-]	ZINC000887313920	997153182	/nfs/dbraw/zinc/15/31/82/997153182.db2.gz	NWGIYTAEQYDPOW-UONOGXRCSA-N	-1	1	365.499	1.649	20	10		FDCDMM
CCOC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccc(OC)cc2O)o1	ZINC000795358426	1006342095	/nfs/dbraw/zinc/34/20/95/1006342095.db2.gz	PTGMZSMKWXQPEI-UHFFFAOYSA-N	-1	1	355.368	1.649	20	10		FDCDMM
CCN1CCN(c2ccc(CNC(=O)[C@H](C)NC(=O)[O-])cc2F)CC1	ZINC000739456742	602753038	/nfs/dbraw/zinc/75/30/38/602753038.db2.gz	OVRHCJLZMXJYAE-LBPRGKRZSA-N	-1	1	352.410	1.240	20	10		FDCDMM
CCN(Cc1cc(Br)ccc1O)[C@@H](C)C(=O)NCC(=O)[O-]	ZINC000829718336	604770349	/nfs/dbraw/zinc/77/03/49/604770349.db2.gz	HXSVZCIFIONBRW-VIFPVBQESA-N	-1	1	359.220	1.566	20	10		FDCDMM
O=C([O-])NCCC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	ZINC000832599814	605522371	/nfs/dbraw/zinc/52/23/71/605522371.db2.gz	ZPDMWVQGFFBOOP-ZDUSSCGKSA-N	-1	1	355.822	1.784	20	10		FDCDMM
CN1C[C@H](NC(=O)NCc2cccc(Br)c2[O-])CCC1=O	ZINC000277615829	674980061	/nfs/dbraw/zinc/98/00/61/674980061.db2.gz	WCICYEVTTWAGEX-SNVBAGLBSA-N	-1	1	356.220	1.575	20	10		FDCDMM
CCCc1ccc(-c2cc(N/C=C3/C(=O)[N-]C(=S)NC3=O)n[nH]2)cc1	ZINC000029003842	670800482	/nfs/dbraw/zinc/80/04/82/670800482.db2.gz	JCOVTRNMMXKWEW-UHFFFAOYSA-N	-1	1	355.423	1.856	20	10		FDCDMM
CCCc1ccc(-c2cc(N/C=C3\C(=O)[N-]C(=S)NC3=O)n[nH]2)cc1	ZINC000029003842	670800489	/nfs/dbraw/zinc/80/04/89/670800489.db2.gz	JCOVTRNMMXKWEW-UHFFFAOYSA-N	-1	1	355.423	1.856	20	10		FDCDMM
CCCc1ccc(-c2cc(NC=C3C(=O)[N-]C(=S)NC3=O)n[nH]2)cc1	ZINC000029003842	670800496	/nfs/dbraw/zinc/80/04/96/670800496.db2.gz	JCOVTRNMMXKWEW-UHFFFAOYSA-N	-1	1	355.423	1.856	20	10		FDCDMM
CC(C)OCc1cc([N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)ccc1O	ZINC000290585379	676215584	/nfs/dbraw/zinc/21/55/84/676215584.db2.gz	WLATVNJNPAKFGP-UHFFFAOYSA-N	-1	1	367.427	1.555	20	10		FDCDMM
C[C@@H](CN1CCOCC1)C(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O	ZINC000911360441	858519919	/nfs/dbraw/zinc/51/99/19/858519919.db2.gz	UDDSVUPZZDOLJY-LBPRGKRZSA-N	-1	1	370.833	1.427	20	10		FDCDMM
Cn1ncc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1C(F)F	ZINC000760826871	863310313	/nfs/dbraw/zinc/31/03/13/863310313.db2.gz	GVPVWTVOFAETME-UHFFFAOYSA-N	-1	1	360.342	1.687	20	10		FDCDMM
CC(C)CN1C(=O)C(=CNc2ccc(F)cc2[N+](=O)[O-])C(=O)[N-]C1=S	ZINC000920975994	887360819	/nfs/dbraw/zinc/36/08/19/887360819.db2.gz	MYGBOAIFKQIBOT-UXBLZVDNSA-N	-1	1	366.374	1.929	20	10		FDCDMM
CNC(=O)[C@@H]1CCC[C@H]1NC(=O)NCc1cccc(Br)c1[O-]	ZINC000764799891	905700631	/nfs/dbraw/zinc/70/06/31/905700631.db2.gz	MWBLFCIWIIVCSJ-ZYHUDNBSSA-N	-1	1	370.247	1.869	20	10		FDCDMM
COCc1csc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])n1	ZINC000734554388	923457096	/nfs/dbraw/zinc/45/70/96/923457096.db2.gz	BFROKJANYRIOCV-UHFFFAOYSA-N	-1	1	357.413	1.619	20	10		FDCDMM
COc1ccc(N2CCN(CCCNC(=O)C3(C(=O)[O-])CC3)CC2)cc1	ZINC000738102251	925094862	/nfs/dbraw/zinc/09/48/62/925094862.db2.gz	UBRBSJWEICPUKP-UHFFFAOYSA-N	-1	1	361.442	1.188	20	10		FDCDMM
Cc1ccc(-c2noc(-c3cc(NS(C)(=O)=O)ccc3[O-])n2)c(=O)[nH]1	ZINC000771136015	930490573	/nfs/dbraw/zinc/49/05/73/930490573.db2.gz	UQKBDXOPLFIPQE-UHFFFAOYSA-N	-1	1	362.367	1.890	20	10		FDCDMM
CCOc1cccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])n1	ZINC000746693567	932333755	/nfs/dbraw/zinc/33/37/55/932333755.db2.gz	DBQSONABKSLAQC-UHFFFAOYSA-N	-1	1	351.384	1.810	20	10		FDCDMM
Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC(O)(c2nn[n-]n2)CC1	ZINC000819620421	943669854	/nfs/dbraw/zinc/66/98/54/943669854.db2.gz	NLQJBBGKIJACEA-UHFFFAOYSA-N	-1	1	372.454	1.793	20	10		FDCDMM
COc1ccc(N2CC[C@H](NC(=O)N=c3ccnc4n(C)[n-]cc3-4)C2)cc1	ZINC000823063236	945424012	/nfs/dbraw/zinc/42/40/12/945424012.db2.gz	RJJXLXBNYKTYGA-ZDUSSCGKSA-N	-1	1	366.425	1.751	20	10		FDCDMM
O=C(NCc1ccc(C(=O)N2CCOCC2)cc1)c1c(F)ccc(O)c1[O-]	ZINC000824102854	946192539	/nfs/dbraw/zinc/19/25/39/946192539.db2.gz	AATOVPMCYKQORQ-UHFFFAOYSA-N	-1	1	374.368	1.639	20	10		FDCDMM
CCN1C[C@@H](CNC(=O)NCc2cccc(Br)c2[O-])CC1=O	ZINC000845488988	949370446	/nfs/dbraw/zinc/37/04/46/949370446.db2.gz	BPLAKSURUBITRM-SNVBAGLBSA-N	-1	1	370.247	1.822	20	10		FDCDMM
O=C(CN1C(=O)CSC1=S)Nc1nc(Br)ccc1[O-]	ZINC001144841031	951180191	/nfs/dbraw/zinc/18/01/91/951180191.db2.gz	OAFMMBUVYWJPQB-UHFFFAOYSA-N	-1	1	362.230	1.349	20	10		FDCDMM
Nc1ccc(NC(=O)Nc2ccc(NC(=O)Cc3nn[n-]n3)cc2)cc1	ZINC001176845517	963591815	/nfs/dbraw/zinc/59/18/15/963591815.db2.gz	UPRYZCOVGINXFT-UHFFFAOYSA-N	-1	1	352.358	1.607	20	10		FDCDMM
O=S(=O)(Nc1cc(F)c([O-])cc1F)c1ccc(N2CCOCC2)nc1	ZINC001188529114	966365499	/nfs/dbraw/zinc/36/54/99/966365499.db2.gz	ASPOZQZRDPPSNX-UHFFFAOYSA-N	-1	1	371.365	1.703	20	10		FDCDMM
Cn1c(Br)ccc1C(=O)NCC(=O)c1ccc([O-])c(O)c1	ZINC001191620012	968624586	/nfs/dbraw/zinc/62/45/86/968624586.db2.gz	WKEUOFRPAOZMED-UHFFFAOYSA-N	-1	1	353.172	1.812	20	10		FDCDMM
CN(C)c1ccc(-c2nc(C(=O)Nc3c(N)[nH]c(=O)[n-]c3=O)cs2)cc1	ZINC001193163773	969523077	/nfs/dbraw/zinc/52/30/77/969523077.db2.gz	DKFRHXTZBUTPGX-UHFFFAOYSA-N	-1	1	372.410	1.912	20	10		FDCDMM
CC(=O)C(=O)Oc1ccccc1C(=O)NCC(=O)c1ccc([O-])c(O)c1	ZINC001193409686	969690131	/nfs/dbraw/zinc/69/01/31/969690131.db2.gz	OFGAVEWKMSMWLN-UHFFFAOYSA-N	-1	1	357.318	1.205	20	10		FDCDMM
O=C(NC[C@@H]1CCCN(C(=O)C(F)(F)F)C1)c1c(F)ccc(O)c1[O-]	ZINC000848391327	976713244	/nfs/dbraw/zinc/71/32/44/976713244.db2.gz	DSWYJMBECDSLBF-QMMMGPOBSA-N	-1	1	364.295	1.768	20	10		FDCDMM
CC(C)(C)OC(=O)N1CCO[C@@H](CNC(=O)c2c(F)ccc(O)c2[O-])C1	ZINC000298379643	990079948	/nfs/dbraw/zinc/07/99/48/990079948.db2.gz	MMDNUVPFUWDBPF-JTQLQIEISA-N	-1	1	370.377	1.603	20	10		FDCDMM
COC(=O)[C@@H]1C[N@H+](Cc2cc(Cl)cc(C(C)=O)c2[O-])C[C@@H]1C(=O)[O-]	ZINC001598824492	996367134	/nfs/dbraw/zinc/36/71/34/996367134.db2.gz	AGCFYTSGPPCZAZ-QWHCGFSZSA-N	-1	1	355.774	1.554	20	10		FDCDMM
COC(=O)[C@@H]1C[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2[O-])C[C@@H]1C(=O)[O-]	ZINC001598824492	996367139	/nfs/dbraw/zinc/36/71/39/996367139.db2.gz	AGCFYTSGPPCZAZ-QWHCGFSZSA-N	-1	1	355.774	1.554	20	10		FDCDMM
Cn1nc2c(cc1=O)CN(Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])CC2	ZINC000093756217	524998987	/nfs/dbraw/zinc/99/89/87/524998987.db2.gz	KUADBEJQWBZFRL-UHFFFAOYSA-N	-1	1	350.762	1.606	20	10		FDCDMM
O=C(NCC1CCN(C(=O)C(F)(F)F)CC1)c1c(F)ccc(O)c1[O-]	ZINC000276632209	537594524	/nfs/dbraw/zinc/59/45/24/537594524.db2.gz	SWCNVHDQGQGRNZ-UHFFFAOYSA-N	-1	1	364.295	1.768	20	10		FDCDMM
COc1ccc(N2CCN(CCCNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)cc1	ZINC000738024533	600106439	/nfs/dbraw/zinc/10/64/39/600106439.db2.gz	XUOVSIIKOXATJQ-SJORKVTESA-N	-1	1	361.442	1.044	20	10		FDCDMM
O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	ZINC000833180102	604916634	/nfs/dbraw/zinc/91/66/34/604916634.db2.gz	YMEOZJVLVKOOTG-HZSPNIEDSA-N	-1	1	352.818	1.847	20	10		FDCDMM
O=C([O-])NCCC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	ZINC000832599811	605523008	/nfs/dbraw/zinc/52/30/08/605523008.db2.gz	ZPDMWVQGFFBOOP-CYBMUJFWSA-N	-1	1	355.822	1.784	20	10		FDCDMM
CCc1nnc(CNC(=O)NCc2cccc(Br)c2[O-])[nH]1	ZINC000297640376	676427573	/nfs/dbraw/zinc/42/75/73/676427573.db2.gz	ZBFBFGHKEARZQV-UHFFFAOYSA-N	-1	1	354.208	1.835	20	10		FDCDMM
O=C(CSc1n[nH]c(=O)n1C[C@@H]1CCCO1)c1ccc([O-])c(O)c1	ZINC000298100611	676433162	/nfs/dbraw/zinc/43/31/62/676433162.db2.gz	RBICHCYOSCWXSA-JTQLQIEISA-N	-1	1	351.384	1.137	20	10		FDCDMM