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)C[C@@H]1CN(Cc2c([O-])cccc2Br)CCO1	ZINC000897599316	839903791	/nfs/dbraw/zinc/90/37/91/839903791.db2.gz	MVBXMFDJNJKSAW-JTQLQIEISA-N	-1	3	364.261	1.400	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC[C@H]([C@@H]3CCCO3)C2)c1	ZINC000899625480	846505769	/nfs/dbraw/zinc/50/57/69/846505769.db2.gz	BIWHGTOKGDPHOT-NHYWBVRUSA-N	-1	3	354.428	1.405	20	10		FDCDHM
CN(CCc1ccccn1)C(=O)CNC(=O)NCc1c([O-])cccc1F	ZINC000916457556	881637541	/nfs/dbraw/zinc/63/75/41/881637541.db2.gz	MZSHPLYPLRVJQN-UHFFFAOYSA-N	-1	3	360.389	1.427	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCc2ccc(Cl)nc2)c1	ZINC000761590028	873039766	/nfs/dbraw/zinc/03/97/66/873039766.db2.gz	DJOMVVWLLOGDDD-UHFFFAOYSA-N	-1	3	369.830	1.785	20	10		FDCDHM
CC(C)(CNC(=O)NCc1c([O-])cccc1F)[C@@H]1COCC12OCCO2	ZINC000922846938	879487032	/nfs/dbraw/zinc/48/70/32/879487032.db2.gz	HOUYYDREULQXLL-HNNXBMFYSA-N	-1	3	368.405	1.746	20	10		FDCDHM
CS(=O)(=O)NC1CCN(Cc2cc(Br)ccc2[O-])CC1	ZINC000703117838	884444657	/nfs/dbraw/zinc/44/46/57/884444657.db2.gz	FMCXCUUBZAOYTF-UHFFFAOYSA-N	-1	3	363.277	1.668	20	10		FDCDHM
C[C@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)NCc1c([O-])cccc1F	ZINC000921326481	887742063	/nfs/dbraw/zinc/74/20/63/887742063.db2.gz	LSGNPKZHYVSHIJ-GXFFZTMASA-N	-1	3	359.423	1.001	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCCCC23OCCO3)c1	ZINC000770068005	929820573	/nfs/dbraw/zinc/82/05/73/929820573.db2.gz	RSFUFNJWKVRJSH-CQSZACIVSA-N	-1	3	370.427	1.179	20	10		FDCDHM
CCN1C(=O)[C@@H]2CN(Cc3cccc(Br)c3[O-])CCN2C1=O	ZINC000770292327	929957147	/nfs/dbraw/zinc/95/71/47/929957147.db2.gz	PGIDWTTVIIECFD-LBPRGKRZSA-N	-1	3	368.231	1.623	20	10		FDCDHM
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3c([O-])cccc3O)cc2)C1	ZINC000770402160	929999027	/nfs/dbraw/zinc/99/90/27/929999027.db2.gz	RGIPHLVSVHAHFK-AWEZNQCLSA-N	-1	3	369.421	1.730	20	10		FDCDHM
CNS(=O)(=O)c1cc(NC(=O)c2ccc(C)c(O)c2[O-])ccc1C	ZINC000770468903	930051059	/nfs/dbraw/zinc/05/10/59/930051059.db2.gz	FEEUPWAZXWYTCW-UHFFFAOYSA-N	-1	3	350.396	1.875	20	10		FDCDHM
COC(=O)CNC(=O)Cc1ccc(NC(=O)c2ccc(C)c(O)c2[O-])cc1	ZINC000770477193	930068553	/nfs/dbraw/zinc/06/85/53/930068553.db2.gz	OJTSGEYBCSQYKB-UHFFFAOYSA-N	-1	3	372.377	1.490	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCC[C@@H]2CCCC[C@@H]2O)c1	ZINC000771065118	930411665	/nfs/dbraw/zinc/41/16/65/930411665.db2.gz	OZIAYJRAYRYMCT-WFASDCNBSA-N	-1	3	370.471	1.825	20	10		FDCDHM
COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@@H]1CCS(=O)(=O)C1	ZINC000789300495	932983330	/nfs/dbraw/zinc/98/33/30/932983330.db2.gz	NYUKCIUPSQPAKE-NSHDSACASA-N	-1	3	361.847	1.455	20	10		FDCDHM
COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@H]1CCS(=O)(=O)C1	ZINC000789300489	932983426	/nfs/dbraw/zinc/98/34/26/932983426.db2.gz	NYUKCIUPSQPAKE-LLVKDONJSA-N	-1	3	361.847	1.455	20	10		FDCDHM
NC(=O)[C@@H](NC(=O)c1cccc(O)c1[O-])c1cccc(Br)c1	ZINC000790598185	933621792	/nfs/dbraw/zinc/62/17/92/933621792.db2.gz	KBJATDCDRQFFIT-LBPRGKRZSA-N	-1	3	365.183	1.817	20	10		FDCDHM
CCc1nnc(NC(=O)[C@H](C)[C@H](C)NC(=O)c2cccc(O)c2[O-])s1	ZINC000804912306	938604744	/nfs/dbraw/zinc/60/47/44/938604744.db2.gz	UXKUBVNHWFFRCF-BDAKNGLRSA-N	-1	3	364.427	1.905	20	10		FDCDHM
C[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@@H](O)c1ccccc1	ZINC000811538796	941140187	/nfs/dbraw/zinc/14/01/87/941140187.db2.gz	OFTOFANQHSEXFP-MEDUHNTESA-N	-1	3	364.423	1.616	20	10		FDCDHM
COC(=O)[C@H](CC(C)C)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000817058277	942499720	/nfs/dbraw/zinc/49/97/20/942499720.db2.gz	LXMVKMTXIFHVCP-ZDUSSCGKSA-N	-1	3	372.443	1.423	20	10		FDCDHM
CCN1CCN(c2ccc(CNC(=O)c3c(F)ccc(O)c3[O-])cn2)CC1	ZINC000825471795	947267793	/nfs/dbraw/zinc/26/77/93/947267793.db2.gz	BSVCZJUSDFAWRH-UHFFFAOYSA-N	-1	3	374.416	1.704	20	10		FDCDHM
C[S@](=O)[C@H]1CCC[C@@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1	ZINC000857310291	971712328	/nfs/dbraw/zinc/71/23/28/971712328.db2.gz	WMGDYVVHNUTNRC-YHBNFXLMSA-N	-1	3	374.484	1.183	20	10		FDCDHM
COC[C@H]1CCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1	ZINC000857531063	971792627	/nfs/dbraw/zinc/79/26/27/971792627.db2.gz	DIKGPRHSPGMGDV-LBPRGKRZSA-N	-1	3	356.444	1.652	20	10		FDCDHM
CC(C)CC(=O)NC[C@]12COC[C@H]1CN(C(=O)c1cccc(O)c1[O-])C2	ZINC001148214803	952649379	/nfs/dbraw/zinc/64/93/79/952649379.db2.gz	YDAVMMFTIQBSJY-YJYMSZOUSA-N	-1	3	362.426	1.349	20	10		FDCDHM
O=C(c1cc(O)c([O-])c(O)c1)N1C[C@@H](OCc2cccnc2)[C@H]2COC[C@H]21	ZINC001148581848	952757150	/nfs/dbraw/zinc/75/71/50/952757150.db2.gz	DDATUHVSUUUBJL-JJRVBVJISA-N	-1	3	372.377	1.255	20	10		FDCDHM
O=C(c1cc(O)c([O-])c(O)c1)N1CC[C@@H](n2cc(Br)cn2)C1	ZINC001148587233	952759989	/nfs/dbraw/zinc/75/99/89/952759989.db2.gz	FRNSXOZHIKMQOO-SNVBAGLBSA-N	-1	3	368.187	1.850	20	10		FDCDHM
COC(=O)CNC(=S)Nc1ccc([O-])c2c1C(=O)c1ccccc1C2=O	ZINC001197194658	972136748	/nfs/dbraw/zinc/13/67/48/972136748.db2.gz	VNAKPTJVZOPLOG-UHFFFAOYSA-N	-1	3	370.386	1.627	20	10		FDCDHM
C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(N(C)C)cc1	ZINC001185624202	964039936	/nfs/dbraw/zinc/03/99/36/964039936.db2.gz	QOTWRNKOCRBQFM-LBPRGKRZSA-N	-1	3	372.454	1.972	20	10		FDCDHM
C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(N(C)C)cc1	ZINC001185624202	964039951	/nfs/dbraw/zinc/03/99/51/964039951.db2.gz	QOTWRNKOCRBQFM-LBPRGKRZSA-N	-1	3	372.454	1.972	20	10		FDCDHM
O=C1CN(Cc2cc(Br)ccc2[O-])CCN1C1CCOCC1	ZINC001203645827	964751570	/nfs/dbraw/zinc/75/15/70/964751570.db2.gz	TZRBQTNTEZTTCO-UHFFFAOYSA-N	-1	3	369.259	1.978	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCc2ccc(CO)cc2)c1	ZINC000775887661	973364442	/nfs/dbraw/zinc/36/44/42/973364442.db2.gz	XCWXNLPEEBYIDV-UHFFFAOYSA-N	-1	3	364.423	1.229	20	10		FDCDHM
COc1cccc(CN[C@@H]2CCN([C@H](C(=O)[O-])c3ccccc3)C2=O)c1O	ZINC001604866749	974116261	/nfs/dbraw/zinc/11/62/61/974116261.db2.gz	SEMRIPDCJMLGIQ-WBVHZDCISA-N	-1	3	370.405	1.917	20	10		FDCDHM
O=S(=O)(N=S1(=O)CCCC1)[N-]Cc1ccc(N2CCCC2)cc1	ZINC000866485984	975710649	/nfs/dbraw/zinc/71/06/49/975710649.db2.gz	UWPLEIWIHYVSFQ-UHFFFAOYSA-N	-1	3	357.501	1.883	20	10		FDCDHM
O=C([O-])c1cnn2c1[nH]c(CN1CCC[C@@H]([C@@H]3CCCCO3)C1)cc2=O	ZINC000849344729	977444911	/nfs/dbraw/zinc/44/49/11/977444911.db2.gz	CPUVQVWDQOTHFT-DOMZBBRYSA-N	-1	3	360.414	1.914	20	10		FDCDHM
O=C(CCNC(=O)c1cccc(O)c1[O-])N1CCOc2ccccc2C1	ZINC000366155192	988483419	/nfs/dbraw/zinc/48/34/19/988483419.db2.gz	GFOUDHFATHJHPR-UHFFFAOYSA-N	-1	3	356.378	1.639	20	10		FDCDHM
Cn1cc(-c2nc([C@@H]3COCCN3C(=O)c3cccc(O)c3[O-])no2)cn1	ZINC000370509697	989796519	/nfs/dbraw/zinc/79/65/19/989796519.db2.gz	VWWIFCGUERDMKJ-LBPRGKRZSA-N	-1	3	371.353	1.095	20	10		FDCDHM
CN(C)c1ccc([C@@H](CNC(=O)Cc2ccc(C(=O)[O-])nc2)N(C)C)cc1	ZINC001598313625	991290540	/nfs/dbraw/zinc/29/05/40/991290540.db2.gz	RYFFMGSQGXGWCZ-GOSISDBHSA-N	-1	3	370.453	1.807	20	10		FDCDHM
COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@@H](O)C[C@](C)(O)C1CC1	ZINC000878243103	993825791	/nfs/dbraw/zinc/82/57/91/993825791.db2.gz	ULEIHXLEBKXXDL-YJBOKZPZSA-N	-1	3	371.861	1.933	20	10		FDCDHM
C[C@H]([NH2+]C[C@H]1CCC[C@@]12NC(=O)N(C)C2=O)c1cc(C(=O)[O-])ccc1[O-]	ZINC001593252387	994506678	/nfs/dbraw/zinc/50/66/78/994506678.db2.gz	RSLZFENYXFFILS-GLUANWCPSA-N	-1	3	361.398	1.462	20	10		FDCDHM
C[C@]1(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCCC[C@@H]1O	ZINC000268745212	674098081	/nfs/dbraw/zinc/09/80/81/674098081.db2.gz	RIMJPIBEVOHHQD-GOEBONIOSA-N	-1	3	356.444	1.435	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCS[C@H]3COCC[C@H]32)c1	ZINC000271372699	674337823	/nfs/dbraw/zinc/33/78/23/674337823.db2.gz	JHIBXBWKZXJKNX-OCCSQVGLSA-N	-1	3	372.468	1.110	20	10		FDCDHM
CN(C)c1ccc(CNC(=O)C[N-]S(=O)(=O)c2cccs2)cc1F	ZINC000058971962	522326468	/nfs/dbraw/zinc/32/64/68/522326468.db2.gz	ASRLUBJOHRRWEC-UHFFFAOYSA-N	-1	3	371.459	1.548	20	10		FDCDHM
CC(=O)NC[C@H]1CN(Cc2cc(Br)cc(C)c2[O-])CCO1	ZINC000180283244	525685136	/nfs/dbraw/zinc/68/51/36/525685136.db2.gz	DEYPBNBBYDVXBX-AWEZNQCLSA-N	-1	3	357.248	1.800	20	10		FDCDHM
COc1cc(Cl)cc(CN2CCN(c3cnn(C)c3)C(=O)C2)c1[O-]	ZINC000184696141	536176851	/nfs/dbraw/zinc/17/68/51/536176851.db2.gz	YLTOITWCECJJPV-UHFFFAOYSA-N	-1	3	350.806	1.637	20	10		FDCDHM
Cc1ccc2c(c1)[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])CO2	ZINC000363815495	537326018	/nfs/dbraw/zinc/32/60/18/537326018.db2.gz	FYUOEILGGHKLKW-CQSZACIVSA-N	-1	3	362.407	1.936	20	10		FDCDHM
Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)COc3ccccc3)C2)c([O-])c1O	ZINC000282551914	537329312	/nfs/dbraw/zinc/32/93/12/537329312.db2.gz	SOOSZCNGZBLUBZ-CQSZACIVSA-N	-1	3	370.405	1.816	20	10		FDCDHM
NC(=O)[C@H](c1ccccc1)N1CCN(C(=O)c2cccc(O)c2[O-])CC1	ZINC000280162161	537379910	/nfs/dbraw/zinc/37/99/10/537379910.db2.gz	SIWPMRPFAGSEJM-INIZCTEOSA-N	-1	3	355.394	1.082	20	10		FDCDHM
NC(=O)[C@@H](c1ccccc1)N1CCN(C(=O)c2cccc(O)c2[O-])CC1	ZINC000280162164	537380081	/nfs/dbraw/zinc/38/00/81/537380081.db2.gz	SIWPMRPFAGSEJM-MRXNPFEDSA-N	-1	3	355.394	1.082	20	10		FDCDHM
COc1c([O-])c(CN2CCC[C@@H](n3cc(CO)nn3)C2)ccc1[N+](=O)[O-]	ZINC000293522743	537500626	/nfs/dbraw/zinc/50/06/26/537500626.db2.gz	BFHNNTHOHLOIEB-CYBMUJFWSA-N	-1	3	363.374	1.230	20	10		FDCDHM
CCOC(=O)[C@@]1(COC)CCCN(C(=O)c2ccc(C)c(O)c2[O-])C1	ZINC000281563750	537563511	/nfs/dbraw/zinc/56/35/11/537563511.db2.gz	LCFDNOURIRMRJW-SFHVURJKSA-N	-1	3	351.399	1.838	20	10		FDCDHM
CC[C@H](CNS(C)(=O)=O)NCc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000295111204	537710856	/nfs/dbraw/zinc/71/08/56/537710856.db2.gz	VASNTYUBERBRFN-SNVBAGLBSA-N	-1	3	351.812	1.371	20	10		FDCDHM
O=C(c1cccc(O)c1[O-])N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21	ZINC000377122454	537957273	/nfs/dbraw/zinc/95/72/73/537957273.db2.gz	GDUOUBVPXLRGAO-OLZOCXBDSA-N	-1	3	368.389	1.747	20	10		FDCDHM
CN1CCN(C2CCN(Cc3c([O-])ccc(Cl)c3F)CC2)C(=O)C1	ZINC000365256380	568375637	/nfs/dbraw/zinc/37/56/37/568375637.db2.gz	NFRMCHOVHAOJQX-UHFFFAOYSA-N	-1	3	355.841	1.923	20	10		FDCDHM
COc1ccc(O)c(CNC(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)c1	ZINC000737106613	598921778	/nfs/dbraw/zinc/92/17/78/598921778.db2.gz	WBFVZCFDUDSGOC-NSHDSACASA-N	-1	3	369.381	1.665	20	10		FDCDHM
COc1ccc(O)c(CNC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC)c1	ZINC000737105456	598923608	/nfs/dbraw/zinc/92/36/08/598923608.db2.gz	GZNZNHNSWLHCIR-UHFFFAOYSA-N	-1	3	370.369	1.911	20	10		FDCDHM
COc1ccc(O)c(CNC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC)c1	ZINC000737105456	598923610	/nfs/dbraw/zinc/92/36/10/598923610.db2.gz	GZNZNHNSWLHCIR-UHFFFAOYSA-N	-1	3	370.369	1.911	20	10		FDCDHM
COc1cccc(CNC(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)c1O	ZINC000737131414	598511118	/nfs/dbraw/zinc/51/11/18/598511118.db2.gz	PAJYWNKFTTYICI-LLVKDONJSA-N	-1	3	369.381	1.665	20	10		FDCDHM
CN(Cc1ccc(N2CCOCC2)cc1)c1ccc(-c2nnn[n-]2)nc1	ZINC000821611226	606029999	/nfs/dbraw/zinc/02/99/99/606029999.db2.gz	WOPVEMQKABQVHN-UHFFFAOYSA-N	-1	3	351.414	1.735	20	10		FDCDHM
CN(Cc1ccc(N2CCOCC2)cc1)c1ccc(-c2nn[n-]n2)nc1	ZINC000821611226	606030003	/nfs/dbraw/zinc/03/00/03/606030003.db2.gz	WOPVEMQKABQVHN-UHFFFAOYSA-N	-1	3	351.414	1.735	20	10		FDCDHM
Cc1cc(C(=O)N(C)C[C@@H](C)O)c(C)n1-c1ccc(-c2nn[n-]n2)cc1	ZINC000822167512	606689048	/nfs/dbraw/zinc/68/90/48/606689048.db2.gz	FMWCSULJPUGOSW-GFCCVEGCSA-N	-1	3	354.414	1.727	20	10		FDCDHM
Cc1cc(C(=O)N2CCC[C@@H]2CO)c(C)n1-c1ccc(-c2nn[n-]n2)cc1	ZINC000826257630	607996247	/nfs/dbraw/zinc/99/62/47/607996247.db2.gz	JVRNAQIKNZQQIO-MRXNPFEDSA-N	-1	3	366.425	1.871	20	10		FDCDHM
Cc1cc(C(=O)N[C@@H](CO)C2CC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1	ZINC000826258711	608174114	/nfs/dbraw/zinc/17/41/14/608174114.db2.gz	TWKJKBUEFSTLRV-KRWDZBQOSA-N	-1	3	366.425	1.775	20	10		FDCDHM
CC(=O)c1cc(Cl)cc(CN(C)C[C@H](O)CN2CCOCC2)c1[O-]	ZINC000083244703	671472704	/nfs/dbraw/zinc/47/27/04/671472704.db2.gz	SGASSYNYQRFBHB-HNNXBMFYSA-N	-1	3	356.850	1.373	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC[C@@H](O)C23CCCC3)c1	ZINC000294194155	676377926	/nfs/dbraw/zinc/37/79/26/676377926.db2.gz	OIRAMJJVDOEUGS-CQSZACIVSA-N	-1	3	354.428	1.283	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC[C@H]([C@H]3CCOC3)C2)c1	ZINC000366649543	677457306	/nfs/dbraw/zinc/45/73/06/677457306.db2.gz	DGUYCKCBUIOUTP-RYUDHWBXSA-N	-1	3	354.428	1.262	20	10		FDCDHM
CC1(C)[C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])[C@H]2CCCO[C@H]21	ZINC000374132735	678072731	/nfs/dbraw/zinc/07/27/31/678072731.db2.gz	VYFUYQPLRJWAJP-KCPJHIHWSA-N	-1	3	368.455	1.697	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC(c3c[nH]cn3)CC2)c1	ZINC000378080279	678688172	/nfs/dbraw/zinc/68/81/72/678688172.db2.gz	TVYQNIQRFYESJJ-UHFFFAOYSA-N	-1	3	364.427	1.507	20	10		FDCDHM
COc1cc(OC)cc(N2CC[C@@H](NC(=O)c3cccc(O)c3[O-])C2=O)c1	ZINC000279370564	808953028	/nfs/dbraw/zinc/95/30/28/808953028.db2.gz	UBZLFJDTUXVNEM-OAHLLOKOSA-N	-1	3	372.377	1.650	20	10		FDCDHM
CCOC(=O)c1nnc([C@H](C)NCc2ccc(N3CCOCC3)cc2)[n-]1	ZINC000895237210	822072225	/nfs/dbraw/zinc/07/22/25/822072225.db2.gz	RZKDSBXBWHWTNF-ZDUSSCGKSA-N	-1	3	359.430	1.669	20	10		FDCDHM
CN(C)c1ccc([C@H](CNC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])N(C)C)cc1	ZINC000899853986	846786314	/nfs/dbraw/zinc/78/63/14/846786314.db2.gz	DJXOSCJUJQDARQ-QDSNELGPSA-N	-1	3	371.481	1.994	20	10		FDCDHM
CN(C)c1ccc([C@H](C[N-]S(=O)(=O)c2ccns2)N(C)C)cc1	ZINC000908459742	855444751	/nfs/dbraw/zinc/44/47/51/855444751.db2.gz	JEGRFEBSAOQNTG-AWEZNQCLSA-N	-1	3	354.501	1.790	20	10		FDCDHM
COc1ccc(N2CCN(CCCNC(=O)c3ncccc3[O-])CC2)cc1	ZINC000171237277	865163266	/nfs/dbraw/zinc/16/32/66/865163266.db2.gz	NHKLIKUPKQKXMC-UHFFFAOYSA-N	-1	3	370.453	1.738	20	10		FDCDHM
COc1ccnc(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1	ZINC000763235110	878282835	/nfs/dbraw/zinc/28/28/35/878282835.db2.gz	LFFRTTPLPPMXDB-UHFFFAOYSA-N	-1	3	351.384	1.097	20	10		FDCDHM
Cc1cc(N2CC[C@@H](NC(=O)NCc3c([O-])cccc3F)C2=O)n(C)n1	ZINC000920784677	887223112	/nfs/dbraw/zinc/22/31/12/887223112.db2.gz	NEMWVDQBYPWQTK-CYBMUJFWSA-N	-1	3	361.377	1.178	20	10		FDCDHM
C[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C(=O)OC1CCCC1	ZINC000764493538	904796690	/nfs/dbraw/zinc/79/66/90/904796690.db2.gz	GXHZVXQTSVZLLE-JTQLQIEISA-N	-1	3	370.427	1.368	20	10		FDCDHM
CO[C@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccccc1	ZINC000732574805	919822078	/nfs/dbraw/zinc/82/20/78/919822078.db2.gz	AMLWFWRTSUSOIP-MRXNPFEDSA-N	-1	3	364.423	1.881	20	10		FDCDHM
CC(C)OC(=O)[C@@H](C)CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000743735922	926455170	/nfs/dbraw/zinc/45/51/70/926455170.db2.gz	IPXVPSNETCCRGP-JTQLQIEISA-N	-1	3	358.416	1.081	20	10		FDCDHM
C[C@@H](C[C@H](O)c1ccco1)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000769985524	929784669	/nfs/dbraw/zinc/78/46/69/929784669.db2.gz	JWCMXDQIZFGCFS-HZMBPMFUSA-N	-1	3	368.411	1.599	20	10		FDCDHM
CCN1C(=O)[C@H]2CN(Cc3cccc(Br)c3[O-])CCN2C1=O	ZINC000770292326	929957027	/nfs/dbraw/zinc/95/70/27/929957027.db2.gz	PGIDWTTVIIECFD-GFCCVEGCSA-N	-1	3	368.231	1.623	20	10		FDCDHM
CCOCCN(C)Cc1cc(C(C)=O)cc(CN2CCOCC2)c1[O-]	ZINC000771636997	930822843	/nfs/dbraw/zinc/82/28/43/930822843.db2.gz	SKRMIRNXRUSLIA-UHFFFAOYSA-N	-1	3	350.459	1.895	20	10		FDCDHM
C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1c(F)cncc1F	ZINC000804827981	938589049	/nfs/dbraw/zinc/58/90/49/938589049.db2.gz	RYHILXBBHGODSP-MRVPVSSYSA-N	-1	3	371.365	1.928	20	10		FDCDHM
CC(=O)C(=O)COC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1	ZINC000808546331	940556108	/nfs/dbraw/zinc/55/61/08/940556108.db2.gz	IYGTYIMPORJIEJ-UHFFFAOYSA-N	-1	3	367.301	1.392	20	10		FDCDHM
C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@@H](O)c1ccccc1	ZINC000811538794	941140095	/nfs/dbraw/zinc/14/00/95/941140095.db2.gz	OFTOFANQHSEXFP-BDJLRTHQSA-N	-1	3	364.423	1.616	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC[C@H]2COc3ccccc32)c1	ZINC000811562435	941142180	/nfs/dbraw/zinc/14/21/80/941142180.db2.gz	DTVIYMGOZLEGCG-NSHDSACASA-N	-1	3	362.407	1.670	20	10		FDCDHM
COc1ccncc1CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000817085716	942539966	/nfs/dbraw/zinc/53/99/66/942539966.db2.gz	BSMWAGDCDOXGAX-UHFFFAOYSA-N	-1	3	351.384	1.097	20	10		FDCDHM
CC[C@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C[C@H](CC)O1	ZINC000817635305	942844267	/nfs/dbraw/zinc/84/42/67/942844267.db2.gz	CLMJFNTVMSBLBQ-STQMWFEESA-N	-1	3	356.444	1.793	20	10		FDCDHM
CCOCc1cc(CN[C@@H]2CCCCN(CC(=O)[O-])C2=O)ccc1OC	ZINC001591986879	951258507	/nfs/dbraw/zinc/25/85/07/951258507.db2.gz	KEGZENGXCIDDNX-MRXNPFEDSA-N	-1	3	364.442	1.787	20	10		FDCDHM
Nc1cnc(NC(=O)c2cccc(O)c2[O-])c(I)c1	ZINC001148211917	952646606	/nfs/dbraw/zinc/64/66/06/952646606.db2.gz	CFYOAYYKFQBIPV-UHFFFAOYSA-N	-1	3	371.134	1.932	20	10		FDCDHM
O=C(c1cccc(O)c1[O-])N1C[C@H]2OCC(=O)N(c3cccc(F)c3)[C@@H]2C1	ZINC001148213626	952648434	/nfs/dbraw/zinc/64/84/34/952648434.db2.gz	IJCXEASYRLGXBK-GDBMZVCRSA-N	-1	3	372.352	1.493	20	10		FDCDHM
O=C(c1cccc(O)c1[O-])N1Cc2ccnn2C[C@@H](C(=O)N2CCCC2)C1	ZINC001148214151	952648825	/nfs/dbraw/zinc/64/88/25/952648825.db2.gz	OPVBIMVAJZDJSP-ZDUSSCGKSA-N	-1	3	370.409	1.189	20	10		FDCDHM
O=C(c1cc(O)c([O-])c(O)c1)N1CCN(c2nccnc2Cl)CC1	ZINC001148582220	952757279	/nfs/dbraw/zinc/75/72/79/952757279.db2.gz	GAUBNSNPHKVZGW-UHFFFAOYSA-N	-1	3	350.762	1.209	20	10		FDCDHM
COc1ccc(O[C@H]2CCCN(C(=O)c3cc(O)c([O-])c(O)c3)C2)nc1	ZINC001148587461	952760037	/nfs/dbraw/zinc/76/00/37/952760037.db2.gz	IMOXXPXENBKZIE-ZDUSSCGKSA-N	-1	3	360.366	1.891	20	10		FDCDHM
CC(C)(C)OC(=O)N1CC[C@@H](F)[C@H](NC(=O)c2cc(O)c([O-])c(O)c2)C1	ZINC001148591238	952761114	/nfs/dbraw/zinc/76/11/14/952761114.db2.gz	VRQXUXYQHLJBIW-GHMZBOCLSA-N	-1	3	370.377	1.881	20	10		FDCDHM
COC(=O)C1CC2(C1)C[N@H+](Cc1c(C)cc(OC)cc1[O-])C[C@H]2C(=O)[O-]	ZINC001593823288	955060050	/nfs/dbraw/zinc/06/00/50/955060050.db2.gz	AQPNFOGPLUUHBE-IHBYNMNLSA-N	-1	3	363.410	1.795	20	10		FDCDHM
COC(=O)C1CC2(C1)C[N@@H+](Cc1c(C)cc(OC)cc1[O-])C[C@H]2C(=O)[O-]	ZINC001593823288	955060060	/nfs/dbraw/zinc/06/00/60/955060060.db2.gz	AQPNFOGPLUUHBE-IHBYNMNLSA-N	-1	3	363.410	1.795	20	10		FDCDHM
CN(C)c1ccc([C@@H](CNC(=O)N(C)CCCC(=O)[O-])N(C)C)cc1	ZINC001353139639	958147314	/nfs/dbraw/zinc/14/73/14/958147314.db2.gz	UKFATNVIOMRHJA-MRXNPFEDSA-N	-1	3	350.463	1.862	20	10		FDCDHM
COc1c([O-])c(CNc2ccc3n[nH]c(C(N)=O)c3c2)ccc1[N+](=O)[O-]	ZINC000775034485	964574512	/nfs/dbraw/zinc/57/45/12/964574512.db2.gz	STDHLMBFWPAHHA-UHFFFAOYSA-N	-1	3	357.326	1.896	20	10		FDCDHM
O=C(Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1)c1cccc(O)c1[O-]	ZINC000776661946	968001042	/nfs/dbraw/zinc/00/10/42/968001042.db2.gz	WAMGHMCVGZOPMC-UHFFFAOYSA-N	-1	3	366.370	1.930	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCc2ccc(Cl)cn2)c1	ZINC000775838839	972968782	/nfs/dbraw/zinc/96/87/82/972968782.db2.gz	KFHUXTLBHGSEMK-UHFFFAOYSA-N	-1	3	355.803	1.742	20	10		FDCDHM
COc1cc(Cl)cc(C[NH2+][C@@H]2CCCCN(CC(=O)[O-])C2=O)c1[O-]	ZINC001604720047	973922603	/nfs/dbraw/zinc/92/26/03/973922603.db2.gz	ROYKRZFPJXXMRD-GFCCVEGCSA-N	-1	3	356.806	1.610	20	10		FDCDHM
Cc1noc([C@H](C)N(C)C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])n1	ZINC000848323318	976610165	/nfs/dbraw/zinc/61/01/65/976610165.db2.gz	FSAHOAUWBIXKTP-QMMMGPOBSA-N	-1	3	354.388	1.288	20	10		FDCDHM
COc1ccc(N2CC[C@H]([N-]S(=O)(=O)c3c(C)noc3C)C2)cc1	ZINC000849416282	977540468	/nfs/dbraw/zinc/54/04/68/977540468.db2.gz	NZMHOQQUWMEVJH-ZDUSSCGKSA-N	-1	3	351.428	1.857	20	10		FDCDHM
CO[C@H]1CS(=O)(=O)C[C@@H]1NCc1cc(C)cc(Br)c1[O-]	ZINC000850361455	978336711	/nfs/dbraw/zinc/33/67/11/978336711.db2.gz	SAPPZBRALQFDHN-RYUDHWBXSA-N	-1	3	364.261	1.365	20	10		FDCDHM
CC1(C)CC(=O)CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1	ZINC000862773264	984528118	/nfs/dbraw/zinc/52/81/18/984528118.db2.gz	YHJHYJZYEWYYPB-UHFFFAOYSA-N	-1	3	354.428	1.595	20	10		FDCDHM
O=C(NC[C@H]1CC(=O)N(CCc2ccccc2)C1)c1cccc(O)c1[O-]	ZINC000366157434	988486953	/nfs/dbraw/zinc/48/69/53/988486953.db2.gz	LMUPWOYPEAFIIK-OAHLLOKOSA-N	-1	3	354.406	1.919	20	10		FDCDHM
CN(C)c1ccc([C@@H](CNC(=O)Nc2cc(C(=O)[O-])nn2C)N(C)C)cc1	ZINC001598313685	991292204	/nfs/dbraw/zinc/29/22/04/991292204.db2.gz	UUYOQRHNXAJRNE-OAHLLOKOSA-N	-1	3	374.445	1.609	20	10		FDCDHM
CC(=O)c1cc(F)cc(CN2CCN(c3ccc(C(N)=O)cn3)CC2)c1[O-]	ZINC000267448363	999338751	/nfs/dbraw/zinc/33/87/51/999338751.db2.gz	LGOPIGDVOYGMHC-UHFFFAOYSA-N	-1	3	372.400	1.550	20	10		FDCDHM
CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)NCc1c([O-])cccc1F	ZINC000928707706	1001632488	/nfs/dbraw/zinc/63/24/88/1001632488.db2.gz	AZZXMJCKAYKTOO-OCCSQVGLSA-N	-1	3	354.378	1.830	20	10		FDCDHM
Cc1ccc(CC(=O)N2CCN(C(=O)c3cccc(O)c3[O-])CC2)cc1	ZINC000188354627	1007852337	/nfs/dbraw/zinc/85/23/37/1007852337.db2.gz	WZOXORNEKPBZQU-UHFFFAOYSA-N	-1	3	354.406	1.933	20	10		FDCDHM
O=C(/C=C/c1ccc(O)c(O)c1)N1CCN(C(=O)c2ccc([O-])cc2)CC1	ZINC000779533408	1009808851	/nfs/dbraw/zinc/80/88/51/1009808851.db2.gz	XEIGTKYJLWDFTH-KRXBUXKQSA-N	-1	3	368.389	1.801	20	10		FDCDHM
COC(=O)c1cn(C2CN(Cc3cc(Br)ccc3[O-])C2)nn1	ZINC000779612839	1010390833	/nfs/dbraw/zinc/39/08/33/1010390833.db2.gz	DBBXQDXNAKXKDF-UHFFFAOYSA-N	-1	3	367.203	1.590	20	10		FDCDHM
CCOC(=O)CN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C(C)C	ZINC000271212678	674323252	/nfs/dbraw/zinc/32/32/52/674323252.db2.gz	BHOHDPVYKMVTJZ-UHFFFAOYSA-N	-1	3	358.416	1.177	20	10		FDCDHM
CN(Cc1ccccc1O)C(=O)CC[N-]S(=O)(=O)c1cccs1	ZINC000077258275	523279506	/nfs/dbraw/zinc/27/95/06/523279506.db2.gz	WLRKMMOMHTXJIM-UHFFFAOYSA-N	-1	3	354.453	1.781	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC[C@H]2COC3(CCCC3)O2)c1	ZINC000271637653	674363280	/nfs/dbraw/zinc/36/32/80/674363280.db2.gz	ZHBDIYAABNCBPQ-LBPRGKRZSA-N	-1	3	370.427	1.179	20	10		FDCDHM
COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)c1cc(C)nn1C	ZINC000181589236	525876413	/nfs/dbraw/zinc/87/64/13/525876413.db2.gz	ZOUAQJFXQRDWKQ-UHFFFAOYSA-N	-1	3	351.790	1.903	20	10		FDCDHM
COC(=O)[C@H]1[C@H](O)CCCN1Cc1cc(Br)cc(C)c1[O-]	ZINC000188787806	536949727	/nfs/dbraw/zinc/94/97/27/536949727.db2.gz	DTDAMQFJRFCAHX-CHWSQXEVSA-N	-1	3	358.232	1.961	20	10		FDCDHM
CC1CCC2(CC1)NC(=O)N(NC(=O)CN(C)Cc1ccccc1[O-])C2=O	ZINC000264649384	537146497	/nfs/dbraw/zinc/14/64/97/537146497.db2.gz	ZOVXOUVEFZVQNA-UHFFFAOYSA-N	-1	3	374.441	1.356	20	10		FDCDHM
O=C(c1cccc(O)c1[O-])N1CCN(CCCOCC(F)(F)F)CC1	ZINC000192990140	537237679	/nfs/dbraw/zinc/23/76/79/537237679.db2.gz	FMMDJBQKRPXHOW-UHFFFAOYSA-N	-1	3	362.348	1.825	20	10		FDCDHM
COc1c([O-])c(CN2CCCC[C@H]2CNS(C)(=O)=O)ccc1[N+](=O)[O-]	ZINC000278192382	537278083	/nfs/dbraw/zinc/27/80/83/537278083.db2.gz	IEDLFBFVKDWJBO-LBPRGKRZSA-N	-1	3	373.431	1.213	20	10		FDCDHM
C[C@@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C[C@@H](C2CC2)O1	ZINC000279952519	537358521	/nfs/dbraw/zinc/35/85/21/537358521.db2.gz	KADYAYVYGPENBT-BMIGLBTASA-N	-1	3	354.428	1.403	20	10		FDCDHM
COC[C@@H]1CCCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1	ZINC000363931011	537371717	/nfs/dbraw/zinc/37/17/17/537371717.db2.gz	ZMPPLOZISSRTGX-GFCCVEGCSA-N	-1	3	356.444	1.652	20	10		FDCDHM
CC[C@H](C)[C@@H]([N-]S(C)(=O)=O)C(=O)N1CCOc2cc(N(C)C)ccc21	ZINC000570103367	549159042	/nfs/dbraw/zinc/15/90/42/549159042.db2.gz	VEJIDKFGJMHVJF-BLLLJJGKSA-N	-1	3	369.487	1.442	20	10		FDCDHM
Cc1cc(N(C)C)ccc1CNC(=O)COc1ccccc1-c1nnn[n-]1	ZINC000737270181	599017360	/nfs/dbraw/zinc/01/73/60/599017360.db2.gz	KWZYTAJPHFMCRW-UHFFFAOYSA-N	-1	3	366.425	1.936	20	10		FDCDHM
Cc1cc(N(C)C)ccc1CNC(=O)COc1ccccc1-c1nn[n-]n1	ZINC000737270181	599017362	/nfs/dbraw/zinc/01/73/62/599017362.db2.gz	KWZYTAJPHFMCRW-UHFFFAOYSA-N	-1	3	366.425	1.936	20	10		FDCDHM
CN(C)c1ccc2c(c1)OCCN2C(=O)Cc1ccc(-c2nnn[n-]2)cc1	ZINC000821589705	599215758	/nfs/dbraw/zinc/21/57/58/599215758.db2.gz	ZKUOOTKUFXCXNH-UHFFFAOYSA-N	-1	3	364.409	1.901	20	10		FDCDHM
CN(C)c1ccc2c(c1)OCCN2C(=O)Cc1ccc(-c2nn[n-]n2)cc1	ZINC000821589705	599215760	/nfs/dbraw/zinc/21/57/60/599215760.db2.gz	ZKUOOTKUFXCXNH-UHFFFAOYSA-N	-1	3	364.409	1.901	20	10		FDCDHM
CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(-c2nnn[n-]2)cc1	ZINC000821589415	599216139	/nfs/dbraw/zinc/21/61/39/599216139.db2.gz	MPDPALARJJSXRD-UHFFFAOYSA-N	-1	3	350.382	1.972	20	10		FDCDHM
CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(-c2nn[n-]n2)cc1	ZINC000821589415	599216142	/nfs/dbraw/zinc/21/61/42/599216142.db2.gz	MPDPALARJJSXRD-UHFFFAOYSA-N	-1	3	350.382	1.972	20	10		FDCDHM
COc1cccc(CNC(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)c1O	ZINC000737131417	598510857	/nfs/dbraw/zinc/51/08/57/598510857.db2.gz	PAJYWNKFTTYICI-NSHDSACASA-N	-1	3	369.381	1.665	20	10		FDCDHM
COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1ccc(C)c(O)c1O	ZINC000821745415	607415689	/nfs/dbraw/zinc/41/56/89/607415689.db2.gz	VIBUASWONWGSAK-UHFFFAOYSA-N	-1	3	356.338	1.952	20	10		FDCDHM
CN(CC(=O)[O-])C(=O)CC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1	ZINC000737403395	600313557	/nfs/dbraw/zinc/31/35/57/600313557.db2.gz	YXLWFZMBMVIFQS-OAHLLOKOSA-N	-1	3	350.415	1.306	20	10		FDCDHM
CN(CC(=O)[O-])C(=O)CC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1	ZINC000737403395	600313560	/nfs/dbraw/zinc/31/35/60/600313560.db2.gz	YXLWFZMBMVIFQS-OAHLLOKOSA-N	-1	3	350.415	1.306	20	10		FDCDHM
Cn1cc(-c2nnn[n-]2)cc1C(=O)NCc1ccc(N2CCCC2)cc1	ZINC000822641071	606278702	/nfs/dbraw/zinc/27/87/02/606278702.db2.gz	AXYRGPXDXKPCHC-UHFFFAOYSA-N	-1	3	351.414	1.735	20	10		FDCDHM
Cn1cc(-c2nn[n-]n2)cc1C(=O)NCc1ccc(N2CCCC2)cc1	ZINC000822641071	606278703	/nfs/dbraw/zinc/27/87/03/606278703.db2.gz	AXYRGPXDXKPCHC-UHFFFAOYSA-N	-1	3	351.414	1.735	20	10		FDCDHM
O=C(c1cccc(O)c1[O-])N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1	ZINC000275094481	674605753	/nfs/dbraw/zinc/60/57/53/674605753.db2.gz	HQHNXLRPURWWGH-ZDUSSCGKSA-N	-1	3	368.455	1.564	20	10		FDCDHM
C[C@H](C(=O)NCc1cccc(Br)c1[O-])N1CCN(C)CC1	ZINC000277415618	674938280	/nfs/dbraw/zinc/93/82/80/674938280.db2.gz	CNTUIZWYQYEDCW-LLVKDONJSA-N	-1	3	356.264	1.407	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCCNc2ccccn2)c1	ZINC000265632053	672957074	/nfs/dbraw/zinc/95/70/74/672957074.db2.gz	SEKWHMWJVHJDCL-UHFFFAOYSA-N	-1	3	364.427	1.391	20	10		FDCDHM
C[C@@](O)(CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccsc1	ZINC000265896844	673012789	/nfs/dbraw/zinc/01/27/89/673012789.db2.gz	GXNDZLIPWBATPQ-OAHLLOKOSA-N	-1	3	370.452	1.463	20	10		FDCDHM
CC(C)(C)c1cnc(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])o1	ZINC000266907377	673213373	/nfs/dbraw/zinc/21/33/73/673213373.db2.gz	BRIOITGCKHGOCK-UHFFFAOYSA-N	-1	3	367.427	1.979	20	10		FDCDHM
CCOC(=O)C1(S(C)(=O)=O)CCN(Cc2cc(F)ccc2[O-])CC1	ZINC000289591397	676156277	/nfs/dbraw/zinc/15/62/77/676156277.db2.gz	KLQCZFVTYXTPJO-UHFFFAOYSA-N	-1	3	359.419	1.474	20	10		FDCDHM
CC(=O)c1cc(F)cc(CN2CC[S@](=O)C[C@H]2c2cnn(C)c2)c1[O-]	ZINC000279389109	675287999	/nfs/dbraw/zinc/28/79/99/675287999.db2.gz	YOGBEKBSEXVSCX-LMKMVOKYSA-N	-1	3	365.430	1.773	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCCC[C@@H]2c2cc[nH]n2)c1	ZINC000285957738	675856652	/nfs/dbraw/zinc/85/66/52/675856652.db2.gz	JGHRJQSOQDISTJ-CQSZACIVSA-N	-1	3	364.427	1.854	20	10		FDCDHM
Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]Cc1ccc2c(c1)CCN2C	ZINC000364442599	677018496	/nfs/dbraw/zinc/01/84/96/677018496.db2.gz	IZKNWGILYLQUKZ-UHFFFAOYSA-N	-1	3	354.863	1.853	20	10		FDCDHM
CN1C(=O)[C@H]2CN(Cc3cc(Br)ccc3[O-])CCN2C1=O	ZINC000375847371	678184099	/nfs/dbraw/zinc/18/40/99/678184099.db2.gz	LXQZNCNNUFBMTO-LLVKDONJSA-N	-1	3	354.204	1.233	20	10		FDCDHM
CN(C)c1ccc(CNC(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)cc1	ZINC000891608948	778527596	/nfs/dbraw/zinc/52/75/96/778527596.db2.gz	YTKAXYUTJATTCM-CQSZACIVSA-N	-1	3	356.430	1.326	20	10		FDCDHM
COC(=O)c1cn([C@H]2CCN(Cc3cc(F)cc(C(C)=O)c3[O-])C2)nn1	ZINC000363907261	794518661	/nfs/dbraw/zinc/51/86/61/794518661.db2.gz	JBQJGPWXZAAMES-ZDUSSCGKSA-N	-1	3	362.361	1.559	20	10		FDCDHM
O=C(COc1ccc(F)cc1)N1CCN(C(=O)c2cccc(O)c2[O-])CC1	ZINC000280290353	815563040	/nfs/dbraw/zinc/56/30/40/815563040.db2.gz	WHUSTXYEQMBHQX-UHFFFAOYSA-N	-1	3	374.368	1.600	20	10		FDCDHM
O=C(NCc1c([O-])cccc1F)NCC1C[C@H]2CC[C@@H](C1)S2(=O)=O	ZINC000923979289	824478901	/nfs/dbraw/zinc/47/89/01/824478901.db2.gz	OISXDXJMZQPJQT-YOGCLGLASA-N	-1	3	356.419	1.686	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCO[C@@H]2C(F)(F)F)c1	ZINC000912090164	859313202	/nfs/dbraw/zinc/31/32/02/859313202.db2.gz	XOOMOFUFHOOAAG-LLVKDONJSA-N	-1	3	354.306	1.125	20	10		FDCDHM
CCN(CCOC)Cc1cc(C(C)=O)cc(CN2CCOCC2)c1[O-]	ZINC000921045660	887405192	/nfs/dbraw/zinc/40/51/92/887405192.db2.gz	CPLRMFRMSOGVPI-UHFFFAOYSA-N	-1	3	350.459	1.895	20	10		FDCDHM
COC(=O)CN(CC(=O)NC1CCOCC1)Cc1cc(Cl)ccc1[O-]	ZINC000732202880	919243579	/nfs/dbraw/zinc/24/35/79/919243579.db2.gz	HOPNYNLIQXWSTA-UHFFFAOYSA-N	-1	3	370.833	1.316	20	10		FDCDHM
Cc1ccc(C(=O)Nc2ccc(CNS(C)(=O)=O)cc2)c([O-])c1O	ZINC000770493163	930077905	/nfs/dbraw/zinc/07/79/05/930077905.db2.gz	BTDDJFZNCRIDJK-UHFFFAOYSA-N	-1	3	350.396	1.708	20	10		FDCDHM
Cc1ccsc1[C@@H](CO)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000771238715	930532113	/nfs/dbraw/zinc/53/21/13/930532113.db2.gz	OYRZGSUXPXDBSP-GFCCVEGCSA-N	-1	3	370.452	1.597	20	10		FDCDHM
O=C(NCCS(=O)(=O)c1ccc(Cl)cc1)c1cccc(O)c1[O-]	ZINC000790570208	933605484	/nfs/dbraw/zinc/60/54/84/933605484.db2.gz	JLTCSQSNPBGABQ-UHFFFAOYSA-N	-1	3	355.799	1.955	20	10		FDCDHM
CN(C)S(=O)(=O)c1cccc(CNC(=O)c2cccc(O)c2[O-])c1	ZINC000790927227	933781924	/nfs/dbraw/zinc/78/19/24/933781924.db2.gz	XDVYKCZCPPQLCE-UHFFFAOYSA-N	-1	3	350.396	1.278	20	10		FDCDHM
CN1CCC[C@H]1C(=O)N1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1	ZINC000816519032	942242610	/nfs/dbraw/zinc/24/26/10/942242610.db2.gz	VYAXNPSMTFPNRF-HNNXBMFYSA-N	-1	3	355.841	1.923	20	10		FDCDHM
O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cc(=O)[n-]c(C2CC2)n1	ZINC000816891377	942371644	/nfs/dbraw/zinc/37/16/44/942371644.db2.gz	QVIRTACSCHEOPY-UHFFFAOYSA-N	-1	3	372.400	1.965	20	10		FDCDHM
CN(Cc1ccccc1O)C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1	ZINC000821615923	945746680	/nfs/dbraw/zinc/74/66/80/945746680.db2.gz	USPONGIKRDFLAK-UHFFFAOYSA-N	-1	3	368.397	1.793	20	10		FDCDHM
CCC1(O)CCC(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1	ZINC000772877484	946015628	/nfs/dbraw/zinc/01/56/28/946015628.db2.gz	PVURRMVFGMGIGC-UHFFFAOYSA-N	-1	3	356.444	1.577	20	10		FDCDHM
COc1ccc([O-])c(S(=O)(=O)Nc2ccc(NS(C)(=O)=O)cc2)c1	ZINC000775670579	971223508	/nfs/dbraw/zinc/22/35/08/971223508.db2.gz	NIZGXDWCIPYXFF-UHFFFAOYSA-N	-1	3	372.424	1.573	20	10		FDCDHM
CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1cc(Cl)c(C)cc1[O-]	ZINC000824517015	946495018	/nfs/dbraw/zinc/49/50/18/946495018.db2.gz	YFELGBJCHAUGMR-CYBMUJFWSA-N	-1	3	374.890	1.479	20	10		FDCDHM
CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1ccc(O)c(O)c1	ZINC000824171975	946607092	/nfs/dbraw/zinc/60/70/92/946607092.db2.gz	HUVXUWSJHTUIIS-UHFFFAOYSA-N	-1	3	369.381	1.752	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCOC[C@H]2C2CCC2)c1	ZINC000844038820	947642996	/nfs/dbraw/zinc/64/29/96/947642996.db2.gz	OYEIYXLJXXTCTP-AWEZNQCLSA-N	-1	3	354.428	1.405	20	10		FDCDHM
CC(C)(C)O[C@H]1C[C@@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1	ZINC000844043758	947655174	/nfs/dbraw/zinc/65/51/74/947655174.db2.gz	QUSIQJUVAZASGY-TXEJJXNPSA-N	-1	3	356.444	1.840	20	10		FDCDHM
O=S(=O)([N-]Cc1ccc(O)c(O)c1)c1ccc(Br)cn1	ZINC001196181831	971528326	/nfs/dbraw/zinc/52/83/26/971528326.db2.gz	IMUBFONITVZTGE-UHFFFAOYSA-N	-1	3	359.201	1.734	20	10		FDCDHM
NC(=O)c1nccnc1C(=O)NCc1cc(Cl)c2cccnc2c1[O-]	ZINC001147760844	952501905	/nfs/dbraw/zinc/50/19/05/952501905.db2.gz	YXSOXRQGTNMGKI-UHFFFAOYSA-N	-1	3	357.757	1.413	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H]2c2ncccn2)c1	ZINC001148160791	952630894	/nfs/dbraw/zinc/63/08/94/952630894.db2.gz	PBSRMQPIHCREQO-ZDUSSCGKSA-N	-1	3	362.411	1.531	20	10		FDCDHM
O=C(c1cccc(O)c1[O-])N1C[C@H](Oc2cccnc2)[C@H]2OCCC[C@@H]21	ZINC001148213868	952648375	/nfs/dbraw/zinc/64/83/75/952648375.db2.gz	LTJYPHPKSOXYHL-ZVZYQTTQSA-N	-1	3	356.378	1.944	20	10		FDCDHM
CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])C[C@H]1O	ZINC001148218761	952652092	/nfs/dbraw/zinc/65/20/92/952652092.db2.gz	KBUPJONVZVMOAV-DGCLKSJQSA-N	-1	3	352.387	1.198	20	10		FDCDHM
N=c1nc(Oc2ccc(N)cc2F)ccn1C(=O)c1cccc(O)c1[O-]	ZINC001148219135	952652202	/nfs/dbraw/zinc/65/22/02/952652202.db2.gz	ULYXFMPYQFIUSO-UHFFFAOYSA-N	-1	3	356.313	1.976	20	10		FDCDHM
O=C(c1cccc(O)c1[O-])N1CCC(N2CCCCS2(=O)=O)CC1	ZINC001148219369	952652516	/nfs/dbraw/zinc/65/25/16/952652516.db2.gz	ZMVUJQUBUFPOII-UHFFFAOYSA-N	-1	3	354.428	1.128	20	10		FDCDHM
CC(C)(C)OC(=O)NC1(CNC(=O)c2cccc(O)c2[O-])CCOCC1	ZINC000862814990	972372150	/nfs/dbraw/zinc/37/21/50/972372150.db2.gz	SNGIZUYZEYASSP-UHFFFAOYSA-N	-1	3	366.414	1.902	20	10		FDCDHM
CN(CCOCCNC(=O)c1cccc(O)c1[O-])C(=O)OC(C)(C)C	ZINC000862855173	972409064	/nfs/dbraw/zinc/40/90/64/972409064.db2.gz	ZHNPTURLYGSKPD-UHFFFAOYSA-N	-1	3	354.403	1.711	20	10		FDCDHM
CN(C)c1ccc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cc1	ZINC001185627541	964013839	/nfs/dbraw/zinc/01/38/39/964013839.db2.gz	BKHFCVIQUBIQAQ-UHFFFAOYSA-N	-1	3	358.427	1.411	20	10		FDCDHM
CN(C)c1ccc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cc1	ZINC001185627541	964013843	/nfs/dbraw/zinc/01/38/43/964013843.db2.gz	BKHFCVIQUBIQAQ-UHFFFAOYSA-N	-1	3	358.427	1.411	20	10		FDCDHM
COc1ccc(N2CCN(CCCNC(=O)c3ccncc3[O-])CC2)cc1	ZINC001188636851	966481998	/nfs/dbraw/zinc/48/19/98/966481998.db2.gz	JEDBPVVAKBMTDQ-UHFFFAOYSA-N	-1	3	370.453	1.738	20	10		FDCDHM
O=C(c1ccc2[nH]cnc2c1)N1CCN(C(=O)c2cccc(O)c2[O-])CC1	ZINC000776637548	967784632	/nfs/dbraw/zinc/78/46/32/967784632.db2.gz	APEKJWPPEXFDTB-UHFFFAOYSA-N	-1	3	366.377	1.572	20	10		FDCDHM
C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)c1cccc(O)c1[O-]	ZINC000776643873	967806891	/nfs/dbraw/zinc/80/68/91/967806891.db2.gz	JBAFPHJESLHSLE-JTQLQIEISA-N	-1	3	350.396	1.578	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC[C@H]2CCC3(CCCC3)O2)c1	ZINC000848359076	976679386	/nfs/dbraw/zinc/67/93/86/976679386.db2.gz	NHUHNIFZTQSWDP-CYBMUJFWSA-N	-1	3	368.455	1.985	20	10		FDCDHM
O=C([O-])c1cnn2c1[nH]c(CN1CCC[C@@H]([C@H]3CCCCO3)C1)cc2=O	ZINC000849344730	977444986	/nfs/dbraw/zinc/44/49/86/977444986.db2.gz	CPUVQVWDQOTHFT-IUODEOHRSA-N	-1	3	360.414	1.914	20	10		FDCDHM
Cc1noc(C)c1S(=O)(=O)[N-]Cc1ccc(N2CCC(O)CC2)cc1	ZINC000851844240	979098155	/nfs/dbraw/zinc/09/81/55/979098155.db2.gz	SEHAHDXYGIYLCS-UHFFFAOYSA-N	-1	3	365.455	1.731	20	10		FDCDHM
C[C@@H](NCc1nnc2n1CCNC2=O)c1cc(Br)ccc1[O-]	ZINC000883304218	982061325	/nfs/dbraw/zinc/06/13/25/982061325.db2.gz	PUNUDJPAHAKPOA-MRVPVSSYSA-N	-1	3	366.219	1.340	20	10		FDCDHM
CNS(=O)(=O)[C@H]1CCCN(Cc2c([O-])cccc2Br)C1	ZINC000862244400	984279358	/nfs/dbraw/zinc/27/93/58/984279358.db2.gz	ANPMFTZJOAJTOH-JTQLQIEISA-N	-1	3	363.277	1.668	20	10		FDCDHM
C[C@H](O)c1cn(C2CN(Cc3c([O-])cccc3Br)C2)nn1	ZINC000862303381	984321706	/nfs/dbraw/zinc/32/17/06/984321706.db2.gz	QHQRDTSSKUZWMF-VIFPVBQESA-N	-1	3	353.220	1.856	20	10		FDCDHM
O=C(NCCCN1C(=O)NC2(CCCCC2)C1=O)c1cccc(O)c1[O-]	ZINC000366099326	988405158	/nfs/dbraw/zinc/40/51/58/988405158.db2.gz	SZKUYEMOEZQXRH-UHFFFAOYSA-N	-1	3	361.398	1.472	20	10		FDCDHM
COC(=O)c1ccnc(N2CCCN(C(=O)c3cccc(O)c3[O-])CC2)c1	ZINC000369388811	989049277	/nfs/dbraw/zinc/04/92/77/989049277.db2.gz	ILMAUMTYAILQMW-UHFFFAOYSA-N	-1	3	371.393	1.632	20	10		FDCDHM
COc1ccc(N2CCN(Cc3nc4c(c(=O)[n-]3)COCC4)CC2)cc1	ZINC000877912022	993550417	/nfs/dbraw/zinc/55/04/17/993550417.db2.gz	IVOGAOTVTARZLB-UHFFFAOYSA-N	-1	3	356.426	1.586	20	10		FDCDHM
O=C(NCc1c([O-])cccc1F)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOCC1	ZINC000928708363	1001632519	/nfs/dbraw/zinc/63/25/19/1001632519.db2.gz	KCTBFRUACQQGFK-KGLIPLIRSA-N	-1	3	362.401	1.589	20	10		FDCDHM
C[C@@](O)(CN1Cc2ccccc2C1=O)C(=O)NCc1c([O-])cccc1F	ZINC000928708434	1001633085	/nfs/dbraw/zinc/63/30/85/1001633085.db2.gz	MFGNCSOZVUGFFD-LJQANCHMSA-N	-1	3	358.369	1.555	20	10		FDCDHM
CC[C@@H](C)NC(=O)CN1CCN(Cc2cc(F)cc(C(C)=O)c2[O-])CC1	ZINC000079398776	1010379346	/nfs/dbraw/zinc/37/93/46/1010379346.db2.gz	NXMQLEHFOMFHHS-CYBMUJFWSA-N	-1	3	365.449	1.766	20	10		FDCDHM
CN(CCC(=O)OC(C)(C)C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000268400330	674088506	/nfs/dbraw/zinc/08/85/06/674088506.db2.gz	FVCFBUMMFYJVAZ-UHFFFAOYSA-N	-1	3	372.443	1.568	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CCOC3(CCCC3)C2)c1	ZINC000269006070	674105380	/nfs/dbraw/zinc/10/53/80/674105380.db2.gz	XNBFSAHKHZYATH-ZDUSSCGKSA-N	-1	3	368.455	1.985	20	10		FDCDHM
COC(=O)CN(CC(=O)NC[C@H]1CCCO1)Cc1cc(Cl)ccc1[O-]	ZINC000269673278	674111574	/nfs/dbraw/zinc/11/15/74/674111574.db2.gz	XXLBEIUPUYPIAO-CQSZACIVSA-N	-1	3	370.833	1.316	20	10		FDCDHM
CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@H](C)S(C)(=O)=O	ZINC000075416642	522916871	/nfs/dbraw/zinc/91/68/71/522916871.db2.gz	APAIBVSDKKUEIQ-VIFPVBQESA-N	-1	3	364.261	1.936	20	10		FDCDHM
Nc1nccnc1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1	ZINC000158068056	524396162	/nfs/dbraw/zinc/39/61/62/524396162.db2.gz	VQOPKVIVILWFHZ-CYBMUJFWSA-N	-1	3	361.833	1.812	20	10		FDCDHM
C[C@H](CCc1cccn1C)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000174374094	524556354	/nfs/dbraw/zinc/55/63/54/524556354.db2.gz	LUEYHUACUSVHFZ-GFCCVEGCSA-N	-1	3	365.455	1.853	20	10		FDCDHM
COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)c1cnn(C)c1C	ZINC000181590454	525878520	/nfs/dbraw/zinc/87/85/20/525878520.db2.gz	XXVHQSGVJZSGQR-UHFFFAOYSA-N	-1	3	351.790	1.903	20	10		FDCDHM
Cc1ccc(C(=O)NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)c([O-])c1O	ZINC000182945272	535891739	/nfs/dbraw/zinc/89/17/39/535891739.db2.gz	ISMXGUSNSQWCBP-HOTGVXAUSA-N	-1	3	356.422	1.771	20	10		FDCDHM
COc1cc(Cl)cc(CN2CCN(CC(=O)NC(C)C)CC2)c1[O-]	ZINC000184675081	536175205	/nfs/dbraw/zinc/17/52/05/536175205.db2.gz	KYTIFGZZARYVIO-UHFFFAOYSA-N	-1	3	355.866	1.696	20	10		FDCDHM
COCCO[C@H]1C[C@@H](CO)CN(Cc2cc(F)cc(C(C)=O)c2[O-])C1	ZINC000278257709	537288375	/nfs/dbraw/zinc/28/83/75/537288375.db2.gz	HZLQJLRYLWWOAR-CJNGLKHVSA-N	-1	3	355.406	1.580	20	10		FDCDHM
COc1c([O-])c(CN2CCCC[C@H](S(C)(=O)=O)C2)ccc1[N+](=O)[O-]	ZINC000278575411	537338918	/nfs/dbraw/zinc/33/89/18/537338918.db2.gz	CPKCMCFHJLGGDZ-LBPRGKRZSA-N	-1	3	358.416	1.708	20	10		FDCDHM
Cc1ccc(C(=O)N2CCN(c3ccc(C(N)=O)cc3)CC2)c([O-])c1O	ZINC000272807380	537344069	/nfs/dbraw/zinc/34/40/69/537344069.db2.gz	ZNQFGOKMHPZIGL-UHFFFAOYSA-N	-1	3	355.394	1.468	20	10		FDCDHM
O=C(CN1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O)N1CCCCC1	ZINC000279968493	537361108	/nfs/dbraw/zinc/36/11/08/537361108.db2.gz	XAWJWPOBXNRMFR-UHFFFAOYSA-N	-1	3	365.817	1.822	20	10		FDCDHM
CN1C[C@H](N2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)CCC1=O	ZINC000278088409	537628715	/nfs/dbraw/zinc/62/87/15/537628715.db2.gz	YMYHDTAKLWAALP-GFCCVEGCSA-N	-1	3	351.790	1.431	20	10		FDCDHM
COC(=O)N1CCN(c2ccc(NC(=O)c3cccc(O)c3[O-])cn2)CC1	ZINC000294068191	537652031	/nfs/dbraw/zinc/65/20/31/537652031.db2.gz	MOMFYMZPYAMLRH-UHFFFAOYSA-N	-1	3	372.381	1.634	20	10		FDCDHM
CCOC1(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCCC1	ZINC000294262831	537678712	/nfs/dbraw/zinc/67/87/12/537678712.db2.gz	TUYQVUMJDHWRLN-UHFFFAOYSA-N	-1	3	356.444	1.843	20	10		FDCDHM
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)[C@@]1(O)CCSC1	ZINC000367280992	537952482	/nfs/dbraw/zinc/95/24/82/537952482.db2.gz	RJOGEJSFGQRXON-RHSMWYFYSA-N	-1	3	370.902	1.994	20	10		FDCDHM
Cc1c(NC(=O)C(=O)NCc2ccccc2O)cccc1-c1nnn[n-]1	ZINC000822061825	607275576	/nfs/dbraw/zinc/27/55/76/607275576.db2.gz	YXLQNRJYTKWQGY-UHFFFAOYSA-N	-1	3	352.354	1.136	20	10		FDCDHM
Cc1c(NC(=O)C(=O)NCc2ccccc2O)cccc1-c1nn[n-]n1	ZINC000822061825	607275577	/nfs/dbraw/zinc/27/55/77/607275577.db2.gz	YXLQNRJYTKWQGY-UHFFFAOYSA-N	-1	3	352.354	1.136	20	10		FDCDHM
COc1cccc(CNC(=O)CNc2ccc(-c3nn[n-]n3)cc2)c1O	ZINC000737132092	598321124	/nfs/dbraw/zinc/32/11/24/598321124.db2.gz	VNOYLMPZXFZJFT-UHFFFAOYSA-N	-1	3	354.370	1.309	20	10		FDCDHM
Cc1cc(C(=O)N2CCC[C@@H](O)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1	ZINC000737234439	598610674	/nfs/dbraw/zinc/61/06/74/598610674.db2.gz	LFPGSIWDNUZJNY-MRXNPFEDSA-N	-1	3	366.425	1.871	20	10		FDCDHM
CNC(=O)c1cncc(C=CC(=O)N(C)c2cccc(-c3nnn[n-]3)c2)c1	ZINC000736881813	598655013	/nfs/dbraw/zinc/65/50/13/598655013.db2.gz	KUHRLZXJUVOYTM-VOTSOKGWSA-N	-1	3	363.381	1.298	20	10		FDCDHM
CNC(=O)c1cncc(C=CC(=O)N(C)c2cccc(-c3nn[n-]n3)c2)c1	ZINC000736881813	598655016	/nfs/dbraw/zinc/65/50/16/598655016.db2.gz	KUHRLZXJUVOYTM-VOTSOKGWSA-N	-1	3	363.381	1.298	20	10		FDCDHM
O=C(C=Cc1ccc(O)c(O)c1)OCCOc1ccc(-c2nn[n-]n2)cc1	ZINC000822928382	607451681	/nfs/dbraw/zinc/45/16/81/607451681.db2.gz	HRMLPLMVXXUWOQ-KRXBUXKQSA-N	-1	3	368.349	1.913	20	10		FDCDHM
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(-c2nnn[n-]2)[nH]1	ZINC000825966263	607687229	/nfs/dbraw/zinc/68/72/29/607687229.db2.gz	VPMRASODWRRFOW-UHFFFAOYSA-N	-1	3	367.413	1.304	20	10		FDCDHM
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(-c2nn[n-]n2)[nH]1	ZINC000825966263	607687231	/nfs/dbraw/zinc/68/72/31/607687231.db2.gz	VPMRASODWRRFOW-UHFFFAOYSA-N	-1	3	367.413	1.304	20	10		FDCDHM
Cc1cc(C(=O)N2CC[C@@H](O)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1	ZINC000822168527	606110352	/nfs/dbraw/zinc/11/03/52/606110352.db2.gz	PKTAAFNSSFEVAZ-OAHLLOKOSA-N	-1	3	352.398	1.481	20	10		FDCDHM
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(-c2nnn[n-]2)cn1C	ZINC000821221753	606281627	/nfs/dbraw/zinc/28/16/27/606281627.db2.gz	MCVVSAPPBXQBGT-UHFFFAOYSA-N	-1	3	353.430	1.934	20	10		FDCDHM
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(-c2nn[n-]n2)cn1C	ZINC000821221753	606281629	/nfs/dbraw/zinc/28/16/29/606281629.db2.gz	MCVVSAPPBXQBGT-UHFFFAOYSA-N	-1	3	353.430	1.934	20	10		FDCDHM
C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCc1ccc(O)c(O)c1	ZINC000820542377	607191480	/nfs/dbraw/zinc/19/14/80/607191480.db2.gz	NLOKMMBEYSUSSC-SNVBAGLBSA-N	-1	3	355.354	1.362	20	10		FDCDHM
C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCc1ccc(O)c(O)c1	ZINC000820542377	607191481	/nfs/dbraw/zinc/19/14/81/607191481.db2.gz	NLOKMMBEYSUSSC-SNVBAGLBSA-N	-1	3	355.354	1.362	20	10		FDCDHM
Cc1cc(C(=O)N[C@@H]2CCOC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1	ZINC000826259319	607774658	/nfs/dbraw/zinc/77/46/58/607774658.db2.gz	OIIUOZBACHIETL-CQSZACIVSA-N	-1	3	352.398	1.793	20	10		FDCDHM
CC(=O)c1cc(F)cc(CN2CCC[C@H](N3CCCS3(=O)=O)C2)c1[O-]	ZINC000278756520	675190806	/nfs/dbraw/zinc/19/08/06/675190806.db2.gz	BGXSKAGTBYKXOD-HNNXBMFYSA-N	-1	3	370.446	1.734	20	10		FDCDHM
COC(=O)CN(Cc1ncnn1CCF)Cc1cc(Cl)ccc1[O-]	ZINC000281647477	675540514	/nfs/dbraw/zinc/54/05/14/675540514.db2.gz	NCRAJNZKMIOXGQ-UHFFFAOYSA-N	-1	3	356.785	1.782	20	10		FDCDHM
CC1(C)CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])[C@@H]1[C@H]1CCCO1	ZINC000292665639	676304045	/nfs/dbraw/zinc/30/40/45/676304045.db2.gz	LVHCGHHSSQSOSU-HUUCEWRRSA-N	-1	3	368.455	1.793	20	10		FDCDHM
NC(=O)c1noc([C@@H]2CCCN2Cc2cc(Br)ccc2[O-])n1	ZINC000364235293	677001696	/nfs/dbraw/zinc/00/16/96/677001696.db2.gz	PRXQWNFUSJTECB-JTQLQIEISA-N	-1	3	367.203	1.974	20	10		FDCDHM
C[C@@]1(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCO[C@@H]1C1CC1	ZINC000368491653	677500060	/nfs/dbraw/zinc/50/00/60/677500060.db2.gz	JAYYGUQPGZVLAB-WBVHZDCISA-N	-1	3	368.455	1.699	20	10		FDCDHM
C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)c1cccc(O)c1[O-]	ZINC000275133891	771358282	/nfs/dbraw/zinc/35/82/82/771358282.db2.gz	ODIIFGBZRNBNOY-AWEZNQCLSA-N	-1	3	356.426	1.433	20	10		FDCDHM
Nc1nn2c([n-]1)nc(CN(Cc1ccco1)Cc1ccccc1O)cc2=O	ZINC001167983491	818454312	/nfs/dbraw/zinc/45/43/12/818454312.db2.gz	NFNONTLLQIEEHF-UHFFFAOYSA-N	-1	3	366.381	1.501	20	10		FDCDHM
Cc1nnc(CN2CCN(Cc3c([O-])cccc3Br)CC2)[nH]1	ZINC000895263413	822341148	/nfs/dbraw/zinc/34/11/48/822341148.db2.gz	SDPWOWRAOLCKGI-UHFFFAOYSA-N	-1	3	366.263	1.899	20	10		FDCDHM
CN1C(=O)[C@H]2CN(Cc3cc(Cl)cc(Br)c3[O-])C[C@H]2C1=O	ZINC000895457796	822607961	/nfs/dbraw/zinc/60/79/61/822607961.db2.gz	RQCWGILGGFBQFD-AOOOYVTPSA-N	-1	3	373.634	1.855	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H]2C(F)(F)F)c1	ZINC000913020728	861247439	/nfs/dbraw/zinc/24/74/39/861247439.db2.gz	XTQVZFZGABAKIV-NSHDSACASA-N	-1	3	352.334	1.931	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC[C@H]([C@H]3CCCO3)C2)c1	ZINC000899625481	846506103	/nfs/dbraw/zinc/50/61/03/846506103.db2.gz	BIWHGTOKGDPHOT-XHDPSFHLSA-N	-1	3	354.428	1.405	20	10		FDCDHM
CN(C)c1ccc([C@@H](C[N-]S(=O)(=O)c2ccns2)N(C)C)cc1	ZINC000908459744	855444556	/nfs/dbraw/zinc/44/45/56/855444556.db2.gz	JEGRFEBSAOQNTG-CQSZACIVSA-N	-1	3	354.501	1.790	20	10		FDCDHM
O=C(CN1CCN(Cc2cc(F)ccc2[O-])CC1)NCc1ccccc1	ZINC000179902953	889049420	/nfs/dbraw/zinc/04/94/20/889049420.db2.gz	MGJSKGVXLMCACU-UHFFFAOYSA-N	-1	3	357.429	1.965	20	10		FDCDHM
COC(=O)c1ccc(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])o1	ZINC000734174964	923010246	/nfs/dbraw/zinc/01/02/46/923010246.db2.gz	LSAQULRIAWDSFX-UHFFFAOYSA-N	-1	3	368.367	1.073	20	10		FDCDHM
CCCC(O)(CCC)CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000743715883	926444142	/nfs/dbraw/zinc/44/41/42/926444142.db2.gz	SCVFAJPQLNXYTQ-UHFFFAOYSA-N	-1	3	358.460	1.825	20	10		FDCDHM
CC(C)[C@H]1CN(C)CCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000769904200	929730062	/nfs/dbraw/zinc/73/00/62/929730062.db2.gz	DUZXAMCXFKGPJZ-CQSZACIVSA-N	-1	3	355.460	1.176	20	10		FDCDHM
CC[C@@](C)(CC(=O)OC)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000769947251	929749100	/nfs/dbraw/zinc/74/91/00/929749100.db2.gz	FVDFADSQRWDLPH-HNNXBMFYSA-N	-1	3	358.416	1.225	20	10		FDCDHM
CCOC(=O)[C@H](CC1CC1)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000769940081	929773197	/nfs/dbraw/zinc/77/31/97/929773197.db2.gz	KMLMQUGLXFGQKQ-ZDUSSCGKSA-N	-1	3	370.427	1.225	20	10		FDCDHM
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3c([O-])cccc3O)cc2)C1	ZINC000770402162	929999502	/nfs/dbraw/zinc/99/95/02/929999502.db2.gz	RGIPHLVSVHAHFK-CQSZACIVSA-N	-1	3	369.421	1.730	20	10		FDCDHM
C[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)C(C)=O)c1Cl	ZINC000808524998	940554569	/nfs/dbraw/zinc/55/45/69/940554569.db2.gz	OBCKOIRBHGRCAR-UHFFFAOYSA-N	-1	3	368.194	1.216	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC[C@@H](c3ccncc3)C2)c1	ZINC000816657712	942289775	/nfs/dbraw/zinc/28/97/75/942289775.db2.gz	YDQCHJMUCAMTCX-CYBMUJFWSA-N	-1	3	361.423	1.788	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCO[C@H]2CCCCO2)c1	ZINC000816675885	942298346	/nfs/dbraw/zinc/29/83/46/942298346.db2.gz	NSDBTDKYNMKBRZ-AWEZNQCLSA-N	-1	3	358.416	1.037	20	10		FDCDHM
Cc1ccc(C(=O)Nc2ccc(C(=O)NCCC(N)=O)cc2)c([O-])c1O	ZINC000817117658	942557540	/nfs/dbraw/zinc/55/75/40/942557540.db2.gz	GTOUKRBHQWDERZ-UHFFFAOYSA-N	-1	3	357.366	1.264	20	10		FDCDHM
O=C(NCc1ccc(N2CCC(O)CC2)cc1)c1cc(=O)[n-]c(C2CC2)n1	ZINC000856215084	970989417	/nfs/dbraw/zinc/98/94/17/970989417.db2.gz	JCFSLXKPIIEOOA-UHFFFAOYSA-N	-1	3	368.437	1.951	20	10		FDCDHM
COc1ccc(S(=O)(=O)[N-]c2cccc(N3CCN(C)CC3)c2)cn1	ZINC001195716740	971181499	/nfs/dbraw/zinc/18/14/99/971181499.db2.gz	KNYLXQSVRIAGLG-UHFFFAOYSA-N	-1	3	362.455	1.643	20	10		FDCDHM
Cn1nc2c(cc1=O)CN(Cc1ccc(Br)cc1[O-])CC2	ZINC000824888451	946869761	/nfs/dbraw/zinc/86/97/61/946869761.db2.gz	CXEGNWJHICJRFM-UHFFFAOYSA-N	-1	3	350.216	1.807	20	10		FDCDHM
COC(=O)[C@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])CC1CC1	ZINC000846457565	951090423	/nfs/dbraw/zinc/09/04/23/951090423.db2.gz	HSEHSHNWWWZIBZ-NSHDSACASA-N	-1	3	370.427	1.083	20	10		FDCDHM
COC(=O)c1nc(Br)cnc1NC(=O)c1cccc(O)c1[O-]	ZINC001148213101	952647513	/nfs/dbraw/zinc/64/75/13/952647513.db2.gz	VBLQJAIKOWRRBZ-UHFFFAOYSA-N	-1	3	368.143	1.689	20	10		FDCDHM
COc1ccnc(C2(CNC(=O)c3cccc(O)c3[O-])CCOCC2)c1	ZINC001148224094	952654143	/nfs/dbraw/zinc/65/41/43/952654143.db2.gz	BSBJZNULZNSBCT-UHFFFAOYSA-N	-1	3	358.394	1.980	20	10		FDCDHM
CCN1C(=O)[C@]2(CC[C@@H]3CN(C(=O)c4cc(O)c([O-])c(O)c4)C[C@@H]32)N=C1C	ZINC001148583817	952757547	/nfs/dbraw/zinc/75/75/47/952757547.db2.gz	CJMPJLRARMNYTD-RGIROJJOSA-N	-1	3	373.409	1.305	20	10		FDCDHM
C[C@@H]1CC(=O)NN=C1c1ccc(NC(=O)c2cc(O)c([O-])c(O)c2)cc1	ZINC001148585902	952759260	/nfs/dbraw/zinc/75/92/60/952759260.db2.gz	DCLKOWIWSKEXRF-SECBINFHSA-N	-1	3	355.350	1.916	20	10		FDCDHM
NC(=O)c1cc(Br)ccc1NC(=O)c1cc(O)c([O-])c(O)c1	ZINC001148588354	952760646	/nfs/dbraw/zinc/76/06/46/952760646.db2.gz	TXUYHWXOTILEEM-UHFFFAOYSA-N	-1	3	367.155	1.917	20	10		FDCDHM
CN(C)c1ccc([C@@H](CNC(=O)C2(C(=O)[O-])CCOCC2)N(C)C)cc1	ZINC001593709008	954170481	/nfs/dbraw/zinc/17/04/81/954170481.db2.gz	OZSPVECRPRIMLJ-MRXNPFEDSA-N	-1	3	363.458	1.353	20	10		FDCDHM
Cn1cnc2cc(CNC(=O)c3cc(NS(C)(=O)=O)ccc3[O-])ccc21	ZINC001178002249	964049904	/nfs/dbraw/zinc/04/99/04/964049904.db2.gz	PKGNBENBMRESOP-UHFFFAOYSA-N	-1	3	374.422	1.580	20	10		FDCDHM
CCOC(=O)CNC(=O)Nc1ccc([O-])c2c1C(=O)c1ccccc1C2=O	ZINC001189909218	967370540	/nfs/dbraw/zinc/37/05/40/967370540.db2.gz	YZXRYGQWXBAGLC-UHFFFAOYSA-N	-1	3	368.345	1.852	20	10		FDCDHM
COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)c1cc(O)c(O)c(OC)c1	ZINC001193082643	969453718	/nfs/dbraw/zinc/45/37/18/969453718.db2.gz	UAHFHSNNOADHMO-UHFFFAOYSA-N	-1	3	364.310	1.260	20	10		FDCDHM
COCCc1ccc(OC[C@H](O)CNC(=O)c2cccc(O)c2[O-])cc1	ZINC000855179357	970198776	/nfs/dbraw/zinc/19/87/76/970198776.db2.gz	LDAWMAVBEMKRJZ-CQSZACIVSA-N	-1	3	361.394	1.456	20	10		FDCDHM
Cc1ccc(S(=O)(=O)[N-][C@@H](C)c2ccc(N3CCOCC3)cc2)nn1	ZINC000866605515	975828764	/nfs/dbraw/zinc/82/87/64/975828764.db2.gz	OOGKUGNMCQGWSD-AWEZNQCLSA-N	-1	3	362.455	1.661	20	10		FDCDHM
Cc1nocc1S(=O)(=O)[N-]Cc1ccc(N2CCC(O)CC2)c(F)c1	ZINC000866834679	976142142	/nfs/dbraw/zinc/14/21/42/976142142.db2.gz	PGCNXDOZQQCBMY-UHFFFAOYSA-N	-1	3	369.418	1.562	20	10		FDCDHM
CO[C@@H]1CS(=O)(=O)C[C@H]1NCc1cc(C)cc(Br)c1[O-]	ZINC000850361456	978336898	/nfs/dbraw/zinc/33/68/98/978336898.db2.gz	SAPPZBRALQFDHN-VXGBXAGGSA-N	-1	3	364.261	1.365	20	10		FDCDHM
O=C(Cc1ccccc1)N1CC[C@@H](CNC(=O)c2cccc(O)c2[O-])C1	ZINC000365755850	988049033	/nfs/dbraw/zinc/04/90/33/988049033.db2.gz	ZTBSYOQONHIJNH-HNNXBMFYSA-N	-1	3	354.406	1.919	20	10		FDCDHM
CCNC(=O)Nc1c[nH]nc1[C@@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1	ZINC000365756590	988050483	/nfs/dbraw/zinc/05/04/83/988050483.db2.gz	GDAXMPPHAFKKGL-LLVKDONJSA-N	-1	3	373.413	1.982	20	10		FDCDHM
CNC(=O)c1cc(O[C@@H]2CCN(C(=O)c3cccc(O)c3[O-])C2)ccn1	ZINC000370040464	989407590	/nfs/dbraw/zinc/40/75/90/989407590.db2.gz	KUWIHTISXYEZPU-GFCCVEGCSA-N	-1	3	357.366	1.146	20	10		FDCDHM
C[C@H](N[C@H]1CCN(CCC(=O)[O-])C1=O)c1ccc(N2CCOCC2)cc1	ZINC001593218038	994278244	/nfs/dbraw/zinc/27/82/44/994278244.db2.gz	DTJUDBCMEDXGRY-YOEHRIQHSA-N	-1	3	361.442	1.249	20	10		FDCDHM
C[C@@H](N[C@H]1CCN(CCC(=O)[O-])C1=O)c1ccc(N2CCOCC2)cc1	ZINC001593218035	994279185	/nfs/dbraw/zinc/27/91/85/994279185.db2.gz	DTJUDBCMEDXGRY-PBHICJAKSA-N	-1	3	361.442	1.249	20	10		FDCDHM
CC(C)[C@@H]([N-]S(C)(=O)=O)C(=O)N1CCOc2cc(N(C)C)ccc21	ZINC000555347466	543946133	/nfs/dbraw/zinc/94/61/33/543946133.db2.gz	QSBNSBOBKYTSLT-OAHLLOKOSA-N	-1	3	355.460	1.052	20	10		FDCDHM
CO[C@]1(C)C[C@@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1(C)C	ZINC000271442077	674343526	/nfs/dbraw/zinc/34/35/26/674343526.db2.gz	VQAIQONSMGVTOX-CZUORRHYSA-N	-1	3	356.444	1.697	20	10		FDCDHM
C[C@H](C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)S(C)(=O)=O	ZINC000158022743	524387336	/nfs/dbraw/zinc/38/73/36/524387336.db2.gz	ASQIMBAOEPSWSR-RISCZKNCSA-N	-1	3	374.890	1.559	20	10		FDCDHM
CCN(Cc1cc(Br)ccc1[O-])C(=O)N[C@@H]1CCN(C)C1=O	ZINC000175194848	524899050	/nfs/dbraw/zinc/89/90/50/524899050.db2.gz	IEGZRMMPGRIIQM-GFCCVEGCSA-N	-1	3	370.247	1.917	20	10		FDCDHM
Cc1cc(Cl)cc(CN2CCN(C(=O)C(=O)NC(C)C)CC2)c1[O-]	ZINC000179628756	525607289	/nfs/dbraw/zinc/60/72/89/525607289.db2.gz	WDUUAGIIMWLVRC-UHFFFAOYSA-N	-1	3	353.850	1.523	20	10		FDCDHM
C[C@H](NC(N)=O)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1	ZINC000134262807	526139755	/nfs/dbraw/zinc/13/97/55/526139755.db2.gz	WBGSWKJDPKVSAG-GWCFXTLKSA-N	-1	3	354.838	1.183	20	10		FDCDHM
C[C@H](NCCS(=O)(=O)NC[C@@H]1CCCCO1)c1ccc(F)cc1[O-]	ZINC000186019905	536223584	/nfs/dbraw/zinc/22/35/84/536223584.db2.gz	NOGKDFDZNLBJHP-JSGCOSHPSA-N	-1	3	360.451	1.670	20	10		FDCDHM
CC(=O)N1CCN(c2ccc(C[N-]C(=O)C(F)(F)C(F)F)cc2)CC1	ZINC000188118095	536283304	/nfs/dbraw/zinc/28/33/04/536283304.db2.gz	JSQOOHRVYIXTLT-UHFFFAOYSA-N	-1	3	361.339	1.872	20	10		FDCDHM
COCCO[C@H]1C[C@H](CO)CN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1	ZINC000278568973	537339948	/nfs/dbraw/zinc/33/99/48/537339948.db2.gz	BSFMLTMBKJQBKQ-JSGCOSHPSA-N	-1	3	370.402	1.155	20	10		FDCDHM
CN1CCN(C(=O)CC2CCN(C(=O)c3cccc(O)c3[O-])CC2)CC1	ZINC000364787117	537397960	/nfs/dbraw/zinc/39/79/60/537397960.db2.gz	KDERLDZGMQQHPZ-UHFFFAOYSA-N	-1	3	361.442	1.114	20	10		FDCDHM
CC(C)OC(=O)[C@@H](C)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000271338179	537423494	/nfs/dbraw/zinc/42/34/94/537423494.db2.gz	GDLZBCIAVNLBTP-SNVBAGLBSA-N	-1	3	358.416	1.176	20	10		FDCDHM
COC(=O)[C@H]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C[C@H]1C	ZINC000276589045	537591797	/nfs/dbraw/zinc/59/17/97/537591797.db2.gz	KSFSMSPJUYTCPX-PWSUYJOCSA-N	-1	3	370.427	1.035	20	10		FDCDHM
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)[C@@]1(O)CCSC1	ZINC000367280993	537952636	/nfs/dbraw/zinc/95/26/36/537952636.db2.gz	RJOGEJSFGQRXON-WMLDXEAASA-N	-1	3	370.902	1.994	20	10		FDCDHM
COc1ccc(O)c(CNC(=O)CSc2ccc(-c3nnn[n-]3)cc2)c1	ZINC000737105221	598921846	/nfs/dbraw/zinc/92/18/46/598921846.db2.gz	FKHRAPWMQCMLLJ-UHFFFAOYSA-N	-1	3	371.422	1.989	20	10		FDCDHM
COc1ccc(O)c(CNC(=O)CSc2ccc(-c3nn[n-]n3)cc2)c1	ZINC000737105221	598921848	/nfs/dbraw/zinc/92/18/48/598921848.db2.gz	FKHRAPWMQCMLLJ-UHFFFAOYSA-N	-1	3	371.422	1.989	20	10		FDCDHM
COc1ccc(O)c([C@@H](C)NC(=O)COc2ccc(-c3nn[n-]n3)cc2)c1	ZINC000737105828	598779081	/nfs/dbraw/zinc/77/90/81/598779081.db2.gz	KDYZEJGWZRBWRF-LLVKDONJSA-N	-1	3	369.381	1.837	20	10		FDCDHM
CCOC(=O)c1cnn2c1[nH]c(CN1CCC3(C[C@H]3C(=O)[O-])CC1)cc2=O	ZINC000737154821	600300266	/nfs/dbraw/zinc/30/02/66/600300266.db2.gz	LHFLACQPEQONCK-ZDUSSCGKSA-N	-1	3	374.397	1.298	20	10		FDCDHM
CC(C)[C@@H](C(=O)NC[C@H](NC(=O)[O-])c1ccc(N(C)C)cc1)N(C)C	ZINC000824055350	605667369	/nfs/dbraw/zinc/66/73/69/605667369.db2.gz	GJQPHNCBFXCUAZ-HOTGVXAUSA-N	-1	3	350.463	1.764	20	10		FDCDHM
O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cc(-c2nnn[n-]2)c[nH]1	ZINC000823253661	606259809	/nfs/dbraw/zinc/25/98/09/606259809.db2.gz	KBZHAWIMTGRGQQ-UHFFFAOYSA-N	-1	3	371.376	1.101	20	10		FDCDHM
O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cc(-c2nn[n-]n2)c[nH]1	ZINC000823253661	606259812	/nfs/dbraw/zinc/25/98/12/606259812.db2.gz	KBZHAWIMTGRGQQ-UHFFFAOYSA-N	-1	3	371.376	1.101	20	10		FDCDHM
CNC(=O)[C@@H](C)NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C	ZINC000736868712	606580446	/nfs/dbraw/zinc/58/04/46/606580446.db2.gz	UMTCKLUJSVNYSD-LLVKDONJSA-N	-1	3	367.413	1.139	20	10		FDCDHM
O=C(NCCc1ccc(O)c(O)c1)c1c(F)cc(-c2nnn[n-]2)cc1F	ZINC000826439066	608078797	/nfs/dbraw/zinc/07/87/97/608078797.db2.gz	CZXNYTMVDOPCRW-UHFFFAOYSA-N	-1	3	361.308	1.529	20	10		FDCDHM
O=C(NCCc1ccc(O)c(O)c1)c1c(F)cc(-c2nn[n-]n2)cc1F	ZINC000826439066	608078798	/nfs/dbraw/zinc/07/87/98/608078798.db2.gz	CZXNYTMVDOPCRW-UHFFFAOYSA-N	-1	3	361.308	1.529	20	10		FDCDHM
C[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccc(N2CCOCC2)cc1	ZINC000824513620	609202115	/nfs/dbraw/zinc/20/21/15/609202115.db2.gz	DJQGCCUQDDQEML-GFCCVEGCSA-N	-1	3	367.413	1.522	20	10		FDCDHM
C[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccc(N2CCOCC2)cc1	ZINC000824513620	609202118	/nfs/dbraw/zinc/20/21/18/609202118.db2.gz	DJQGCCUQDDQEML-GFCCVEGCSA-N	-1	3	367.413	1.522	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CCO[C@@H](C3CC3)C2)c1	ZINC000274181846	674586097	/nfs/dbraw/zinc/58/60/97/674586097.db2.gz	DIRRJTLFKQDCGF-XHDPSFHLSA-N	-1	3	354.428	1.451	20	10		FDCDHM
COC(=O)[C@@H]1C[C@H](C)CCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000274764155	674596021	/nfs/dbraw/zinc/59/60/21/674596021.db2.gz	HJHVFAPABCAMOA-MFKMUULPSA-N	-1	3	370.427	1.177	20	10		FDCDHM
O=C(NCCCN1CCOCC1)NCc1cccc(Br)c1[O-]	ZINC000277744153	675028739	/nfs/dbraw/zinc/02/87/39/675028739.db2.gz	MQQRUCJKQUNXFI-UHFFFAOYSA-N	-1	3	372.263	1.676	20	10		FDCDHM
CC(C)(C)[S@@](=O)CCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000264857134	672927124	/nfs/dbraw/zinc/92/71/24/672927124.db2.gz	NNCTXZLHGZNQBN-QFIPXVFZSA-N	-1	3	362.473	1.041	20	10		FDCDHM
COC(=O)CN(CCN1CCN(C)CC1)Cc1cc(Cl)c(F)cc1[O-]	ZINC000294680741	676395876	/nfs/dbraw/zinc/39/58/76/676395876.db2.gz	MWNBPZBCMIMOJS-UHFFFAOYSA-N	-1	3	373.856	1.407	20	10		FDCDHM
O=S(=O)([C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)N1CCOCC1	ZINC000364720331	677045218	/nfs/dbraw/zinc/04/52/18/677045218.db2.gz	CRYIYZLKPIRXOX-OAHLLOKOSA-N	-1	3	374.890	1.672	20	10		FDCDHM
O=S(=O)(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)N1CCC1	ZINC000370572184	677593172	/nfs/dbraw/zinc/59/31/72/677593172.db2.gz	MXHAIGRVFCNOLI-AWEZNQCLSA-N	-1	3	359.879	1.550	20	10		FDCDHM
O=C(CN1CCN(C(=O)c2cccc(O)c2[O-])CC1)N1CCCCCC1	ZINC000274881659	770927061	/nfs/dbraw/zinc/92/70/61/770927061.db2.gz	IOFMCGWDBRPIQC-UHFFFAOYSA-N	-1	3	361.442	1.258	20	10		FDCDHM
CC(C)(C)[C@@H](NC(=O)c1cccc(O)c1[O-])c1nc(-c2nc[nH]n2)no1	ZINC000275012351	771038434	/nfs/dbraw/zinc/03/84/34/771038434.db2.gz	XMGVWUKEEBRERD-NSHDSACASA-N	-1	3	358.358	1.783	20	10		FDCDHM
O=C(Nc1cccc(N2CCOCC2)c1)c1ccc2c(c1)C(=O)[N-]C2=O	ZINC000729525025	820505172	/nfs/dbraw/zinc/50/51/72/820505172.db2.gz	CZTHRGXGOGBFML-UHFFFAOYSA-N	-1	3	351.362	1.659	20	10		FDCDHM
O=C(NCc1c([O-])cccc1F)N[C@H]1CCC(=O)N[C@H]1[C@@H]1CCCO1	ZINC000922518367	878436798	/nfs/dbraw/zinc/43/67/98/878436798.db2.gz	KWXLSULIJWONRA-DUVNUKRYSA-N	-1	3	351.378	1.157	20	10		FDCDHM
CS(=O)(=O)N1CCCN(Cc2c([O-])cccc2Br)CC1	ZINC000707130983	886769769	/nfs/dbraw/zinc/76/97/69/886769769.db2.gz	YZKDYRNHRIYGHZ-UHFFFAOYSA-N	-1	3	363.277	1.622	20	10		FDCDHM
COC(=O)CN(CCCN1CCOC1=O)Cc1cc(Cl)ccc1[O-]	ZINC000731845202	918669268	/nfs/dbraw/zinc/66/92/68/918669268.db2.gz	ROWCXIJSMMIMHT-UHFFFAOYSA-N	-1	3	356.806	1.863	20	10		FDCDHM
O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)[N-]OCCO	ZINC000787299613	932255165	/nfs/dbraw/zinc/25/51/65/932255165.db2.gz	SBSSZQUKSTZMIV-LUAWRHEFSA-N	-1	3	372.493	1.770	20	10		FDCDHM
CC(C)OCCCNC(=O)C1CCN(C(=O)c2cccc(O)c2[O-])CC1	ZINC000790648270	933672759	/nfs/dbraw/zinc/67/27/59/933672759.db2.gz	YNUBBWSQCNELJQ-UHFFFAOYSA-N	-1	3	364.442	1.881	20	10		FDCDHM
Cc1ccc(S(=O)(=O)NCCNC(=O)c2cccc(O)c2[O-])s1	ZINC000790899475	933775970	/nfs/dbraw/zinc/77/59/70/933775970.db2.gz	KRQMPAWLQZVKLY-UHFFFAOYSA-N	-1	3	356.425	1.176	20	10		FDCDHM
C[C@@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC2(CCC2)O1	ZINC000844101462	947751374	/nfs/dbraw/zinc/75/13/74/947751374.db2.gz	RMSMIWMOLKUBPA-LLVKDONJSA-N	-1	3	354.428	1.547	20	10		FDCDHM
CCN(CC)C(=O)CN1CCC(NC(=O)c2c(F)ccc(O)c2[O-])CC1	ZINC000857256183	971677867	/nfs/dbraw/zinc/67/78/67/971677867.db2.gz	AHMWWHTZFXIPFR-UHFFFAOYSA-N	-1	3	367.421	1.300	20	10		FDCDHM
Cc1cccc(OCCN(C)Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)c1	ZINC000846233249	950759741	/nfs/dbraw/zinc/75/97/41/950759741.db2.gz	CUEBXGHGSREEJM-UHFFFAOYSA-N	-1	3	356.382	1.952	20	10		FDCDHM
CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)c2c(F)ccc(O)c2[O-])C1	ZINC000857336739	971724293	/nfs/dbraw/zinc/72/42/93/971724293.db2.gz	HJXODTMXQVWYQR-HNNXBMFYSA-N	-1	3	373.428	1.783	20	10		FDCDHM
CCOC(=O)c1snc(C(N)=O)c1NC(=O)c1cccc(O)c1[O-]	ZINC001148213171	952647561	/nfs/dbraw/zinc/64/75/61/952647561.db2.gz	ZBZDETORAWNBOD-UHFFFAOYSA-N	-1	3	351.340	1.082	20	10		FDCDHM
Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CCN3C(=O)c2cccc(O)c2[O-])n1	ZINC001148214713	952649487	/nfs/dbraw/zinc/64/94/87/952649487.db2.gz	VOJPWPKFFOQLIO-JKSUJKDBSA-N	-1	3	367.405	1.817	20	10		FDCDHM
Cn1c(=O)cc(NC(=O)c2cccc(O)c2[O-])n(-c2ccccc2)c1=O	ZINC001148224640	952654315	/nfs/dbraw/zinc/65/43/15/952654315.db2.gz	RGJOFPDZJJDGRY-UHFFFAOYSA-N	-1	3	353.334	1.200	20	10		FDCDHM
O=C(Nc1nonc1-c1nc2ccccc2[nH]1)c1cc(O)c([O-])c(O)c1	ZINC001148581170	952756975	/nfs/dbraw/zinc/75/69/75/952756975.db2.gz	NQEXMPGKPLMBAI-UHFFFAOYSA-N	-1	3	353.294	1.982	20	10		FDCDHM
Cn1cc([C@H]2COC3(C2)CCN(C(=O)c2cc(O)c([O-])c(O)c2)CC3)cn1	ZINC001148583125	952757682	/nfs/dbraw/zinc/75/76/82/952757682.db2.gz	UNRIYCJPCAALDX-CYBMUJFWSA-N	-1	3	373.409	1.716	20	10		FDCDHM
O=C(Nc1ccc(S(=O)(=O)CCCO)cc1)c1cc(O)c([O-])c(O)c1	ZINC001148586378	952759297	/nfs/dbraw/zinc/75/92/97/952759297.db2.gz	MIMVYTAHBZSMQT-UHFFFAOYSA-N	-1	3	367.379	1.212	20	10		FDCDHM
CC(C)(C)C(=O)N1CCC(CNC(=O)c2cc(O)c([O-])c(O)c2)CC1	ZINC001148589911	952760656	/nfs/dbraw/zinc/76/06/56/952760656.db2.gz	QJDCICSADDUPEP-UHFFFAOYSA-N	-1	3	350.415	1.818	20	10		FDCDHM
CC(C)(C)OC(=O)N1CCC(NC(=O)c2cc(O)c([O-])c(O)c2)=CC1=O	ZINC001148590265	952761294	/nfs/dbraw/zinc/76/12/94/952761294.db2.gz	GIMMSDRQCORLBG-UHFFFAOYSA-N	-1	3	364.354	1.585	20	10		FDCDHM
NC(=O)[C@@H]1CC(C(=O)NCc2c([O-])cccc2F)=NN1c1ccccc1	ZINC001178409581	964226300	/nfs/dbraw/zinc/22/63/00/964226300.db2.gz	GPWHWWZHMMOLQN-HNNXBMFYSA-N	-1	3	356.357	1.268	20	10		FDCDHM
O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)c2cccc(O)c2[O-])CC1	ZINC000776660436	967994250	/nfs/dbraw/zinc/99/42/50/967994250.db2.gz	IWDIONILBBGCIU-UHFFFAOYSA-N	-1	3	371.349	1.604	20	10		FDCDHM
CCOC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cc(O)c([O-])c(Cl)c1	ZINC001193635671	969779028	/nfs/dbraw/zinc/77/90/28/969779028.db2.gz	YEZZCZJSPSQBKY-NSHDSACASA-N	-1	3	353.762	1.379	20	10		FDCDHM
C[C@@]1(C2CC2)CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCO1	ZINC000855294932	970276348	/nfs/dbraw/zinc/27/63/48/970276348.db2.gz	FGZFSCHLJQORDW-INIZCTEOSA-N	-1	3	354.428	1.405	20	10		FDCDHM
Cn1ncc(C(=O)[O-])c1CNCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	ZINC001605555799	973781268	/nfs/dbraw/zinc/78/12/68/973781268.db2.gz	ONTFOWOZFWRZSG-CQSZACIVSA-N	-1	3	371.441	1.110	20	10		FDCDHM
C[C@@H](NC1CN(S(=O)(=O)N(C)C)C1)c1ccc(Cl)c(Cl)c1[O-]	ZINC000858569161	982120845	/nfs/dbraw/zinc/12/08/45/982120845.db2.gz	ANCWXNRDHIHZEK-MRVPVSSYSA-N	-1	3	368.286	1.840	20	10		FDCDHM
CCN1C(=O)[C@@H]2CN(Cc3c([O-])cccc3Br)CCN2C1=O	ZINC000862252182	984284805	/nfs/dbraw/zinc/28/48/05/984284805.db2.gz	SHKSSYQLMVQWSD-LBPRGKRZSA-N	-1	3	368.231	1.623	20	10		FDCDHM
NC(=O)c1cn(C2CCN(Cc3cc(Cl)c(F)cc3[O-])CC2)nn1	ZINC000862483491	984398877	/nfs/dbraw/zinc/39/88/77/984398877.db2.gz	OJMMHVSAALHJBL-UHFFFAOYSA-N	-1	3	353.785	1.712	20	10		FDCDHM
O=C(NC[C@@H]1CC(=O)N(CCc2ccccc2)C1)c1cccc(O)c1[O-]	ZINC000366157433	988486813	/nfs/dbraw/zinc/48/68/13/988486813.db2.gz	LMUPWOYPEAFIIK-HNNXBMFYSA-N	-1	3	354.406	1.919	20	10		FDCDHM
CC(C)NC(=O)c1cnn2c1C[C@@H](CNC(=O)c1cccc(O)c1[O-])CC2	ZINC000366173832	988506353	/nfs/dbraw/zinc/50/63/53/988506353.db2.gz	WUDOQMQHDAEAPV-LBPRGKRZSA-N	-1	3	372.425	1.425	20	10		FDCDHM
CN(C)c1ccc([C@@H](CNC(=O)Nc2ccc(C(=O)[O-])nn2)N(C)C)cc1	ZINC001598313284	991288593	/nfs/dbraw/zinc/28/85/93/991288593.db2.gz	HHEUUCONURVQLF-OAHLLOKOSA-N	-1	3	372.429	1.665	20	10		FDCDHM
CN(C)c1ccc([C@@H](CNC(=O)c2ccc(C(=O)[O-])n2C)N(C)C)cc1	ZINC001598313315	991288957	/nfs/dbraw/zinc/28/89/57/991288957.db2.gz	INZFDXMXFUVVEI-QGZVFWFLSA-N	-1	3	358.442	1.822	20	10		FDCDHM
CC(=O)c1cc(F)cc(CN2CCN(CCc3cnccn3)CC2)c1[O-]	ZINC000879420900	994901597	/nfs/dbraw/zinc/90/15/97/994901597.db2.gz	RKRJEXDNXMTBDU-UHFFFAOYSA-N	-1	3	358.417	1.884	20	10		FDCDHM
O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]21)NCc1c([O-])cccc1F	ZINC000928712649	1001633435	/nfs/dbraw/zinc/63/34/35/1001633435.db2.gz	VIGAREQCDIJNDV-DUVNUKRYSA-N	-1	3	367.446	1.873	20	10		FDCDHM
Cc1nc(CCNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])sc1C	ZINC000268818569	674100140	/nfs/dbraw/zinc/10/01/40/674100140.db2.gz	IDIUBTYACBAOFZ-UHFFFAOYSA-N	-1	3	369.468	1.810	20	10		FDCDHM
CCN(Cc1cc(Br)ccc1[O-])[C@H](C)C(=O)NCC(=O)OC	ZINC000157081434	524207052	/nfs/dbraw/zinc/20/70/52/524207052.db2.gz	CXXOOBRESZUMBO-SNVBAGLBSA-N	-1	3	373.247	1.654	20	10		FDCDHM
CCN(Cc1cc(Br)ccc1[O-])C(=O)NCC(=O)N(C)C	ZINC000173450575	524394906	/nfs/dbraw/zinc/39/49/06/524394906.db2.gz	XSYDABRQWLNILQ-UHFFFAOYSA-N	-1	3	358.236	1.774	20	10		FDCDHM
CC(=O)c1cc(F)cc(CN2CC[C@@H](S(=O)(=O)NC3CC3)C2)c1[O-]	ZINC000120361745	526038911	/nfs/dbraw/zinc/03/89/11/526038911.db2.gz	BLCDNTKSEGUALL-CQSZACIVSA-N	-1	3	356.419	1.390	20	10		FDCDHM
CN(C)c1ccc2c(c1)OCCN2C(=O)c1cnc2c(cnn2C)c1[O-]	ZINC000182090491	526050749	/nfs/dbraw/zinc/05/07/49/526050749.db2.gz	XZBAHOJCTNCWGA-UHFFFAOYSA-N	-1	3	353.382	1.779	20	10		FDCDHM
CCN(Cc1cc(Br)ccc1[O-])C(=O)C1(NC(N)=O)CC1	ZINC000156226027	526085418	/nfs/dbraw/zinc/08/54/18/526085418.db2.gz	FESIIISZJDBFRV-UHFFFAOYSA-N	-1	3	356.220	1.704	20	10		FDCDHM
C[C@H](C(=O)N1CCN(c2ncccn2)CC1)N(C)Cc1ccccc1[O-]	ZINC000109770341	526180518	/nfs/dbraw/zinc/18/05/18/526180518.db2.gz	SUEQADBVHMBBNI-OAHLLOKOSA-N	-1	3	355.442	1.351	20	10		FDCDHM
C[C@@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C[C@H](C2CC2)O1	ZINC000279952532	537359117	/nfs/dbraw/zinc/35/91/17/537359117.db2.gz	KADYAYVYGPENBT-MEBBXXQBSA-N	-1	3	354.428	1.403	20	10		FDCDHM
CCn1nncc1C(=O)N(CC(=O)OC)Cc1cc(Cl)ccc1[O-]	ZINC000293445432	537465175	/nfs/dbraw/zinc/46/51/75/537465175.db2.gz	KCQNOQIQXPLVMD-UHFFFAOYSA-N	-1	3	352.778	1.472	20	10		FDCDHM
CN1C(=O)NC2(CCN(Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])CC2)C1=O	ZINC000367688800	537968199	/nfs/dbraw/zinc/96/81/99/537968199.db2.gz	SNQOZWOHYWNKQF-UHFFFAOYSA-N	-1	3	368.777	1.470	20	10		FDCDHM
COCCN(C(=O)C=Cc1cccnc1)c1ccc(-c2nnn[n-]2)cc1	ZINC000736987933	599203813	/nfs/dbraw/zinc/20/38/13/599203813.db2.gz	HIEHYWRWUXERGF-WTKPLQERSA-N	-1	3	350.382	1.955	20	10		FDCDHM
COCCN(C(=O)C=Cc1cccnc1)c1ccc(-c2nn[n-]n2)cc1	ZINC000736987933	599203815	/nfs/dbraw/zinc/20/38/15/599203815.db2.gz	HIEHYWRWUXERGF-WTKPLQERSA-N	-1	3	350.382	1.955	20	10		FDCDHM
O=C(C1=CC(=O)CS1)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1	ZINC000738247388	598719534	/nfs/dbraw/zinc/71/95/34/598719534.db2.gz	OEXBFGGTTAWPRJ-UHFFFAOYSA-N	-1	3	370.438	1.986	20	10		FDCDHM
C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c(C)o1	ZINC000273151753	674511799	/nfs/dbraw/zinc/51/17/99/674511799.db2.gz	HXOCGFUVRZSVAS-SECBINFHSA-N	-1	3	368.411	1.268	20	10		FDCDHM
COc1ccc(N2CCC(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)cc1	ZINC000821831878	606267896	/nfs/dbraw/zinc/26/78/96/606267896.db2.gz	QOEBRXGBQATWMX-UHFFFAOYSA-N	-1	3	367.413	1.602	20	10		FDCDHM
COc1ccc(N2CCC(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)cc1	ZINC000821831878	606267898	/nfs/dbraw/zinc/26/78/98/606267898.db2.gz	QOEBRXGBQATWMX-UHFFFAOYSA-N	-1	3	367.413	1.602	20	10		FDCDHM
COC(=O)[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)Cc1ccccc1O	ZINC000821649691	606322358	/nfs/dbraw/zinc/32/23/58/606322358.db2.gz	BEAYPUXRLSMCGZ-MRXNPFEDSA-N	-1	3	353.382	1.918	20	10		FDCDHM
Cc1cc(C(=O)N2CC[C@H](CO)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1	ZINC000826257766	607997038	/nfs/dbraw/zinc/99/70/38/607997038.db2.gz	ONZXMNZOOXGXOT-AWEZNQCLSA-N	-1	3	366.425	1.729	20	10		FDCDHM
CCc1nn(C)c(OC)c1CNCc1ccc([N+](=O)[O-])c(OC)c1[O-]	ZINC000278307733	675120211	/nfs/dbraw/zinc/12/02/11/675120211.db2.gz	DREPAUWFSWALAL-UHFFFAOYSA-N	-1	3	350.375	1.903	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCCC23CCOCC3)c1	ZINC000367454229	677492368	/nfs/dbraw/zinc/49/23/68/677492368.db2.gz	NNGAENYRGSCLRO-UHFFFAOYSA-N	-1	3	354.428	1.549	20	10		FDCDHM
Cn1cc(-c2nc([C@H]3COCCN3Cc3cc(F)ccc3[O-])no2)cn1	ZINC000378559853	794320172	/nfs/dbraw/zinc/32/01/72/794320172.db2.gz	QXNFAFDBXCPXCP-CQSZACIVSA-N	-1	3	359.361	1.888	20	10		FDCDHM
O=C(NCc1cccc(Br)c1[O-])C1CN([C@@H]2CCOC2)C1	ZINC000897576684	839712352	/nfs/dbraw/zinc/71/23/52/839712352.db2.gz	MCLURZHDEMKBRD-GFCCVEGCSA-N	-1	3	355.232	1.492	20	10		FDCDHM
CN(C)c1ccc([C@@H](C[N-]S(=O)(=O)c2cccnc2F)N(C)C)cc1	ZINC000908460752	855446546	/nfs/dbraw/zinc/44/65/46/855446546.db2.gz	YXVRHHMOPINBQW-OAHLLOKOSA-N	-1	3	366.462	1.868	20	10		FDCDHM
O=C(NCc1c([O-])cccc1F)NC[C@H](N1CCOCC1)C(F)(F)F	ZINC000922463627	878271241	/nfs/dbraw/zinc/27/12/41/878271241.db2.gz	ORNPNEYUHRFUOX-ZDUSSCGKSA-N	-1	3	365.327	1.594	20	10		FDCDHM
O=S(=O)(C[C@H]1COc2ccccc2O1)NCc1c([O-])cccc1F	ZINC000921451279	888016409	/nfs/dbraw/zinc/01/64/09/888016409.db2.gz	NARMCYFYXLVGJV-LLVKDONJSA-N	-1	3	353.371	1.791	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@]3(CCCOC3)C2)c1	ZINC000746896249	933475465	/nfs/dbraw/zinc/47/54/65/933475465.db2.gz	NUCQESSXCXVUQJ-KRWDZBQOSA-N	-1	3	368.455	1.797	20	10		FDCDHM
CCc1nnc(NC(=O)[C@H](C)[C@@H](C)NC(=O)c2cccc(O)c2[O-])s1	ZINC000804912309	938604785	/nfs/dbraw/zinc/60/47/85/938604785.db2.gz	UXKUBVNHWFFRCF-RKDXNWHRSA-N	-1	3	364.427	1.905	20	10		FDCDHM
CCS(=O)(=O)N1CCC([C@H](C)N(C)C(=O)c2cccc(O)c2[O-])CC1	ZINC000807914832	940495170	/nfs/dbraw/zinc/49/51/70/940495170.db2.gz	UBGBTDSLWSUNMU-LBPRGKRZSA-N	-1	3	370.471	1.620	20	10		FDCDHM
COc1ccc(N2CC[C@H](CNC(=O)c3cc(=O)[n-]c(N(C)C)n3)C2)cc1	ZINC000819588663	943637345	/nfs/dbraw/zinc/63/73/45/943637345.db2.gz	NNAJKZZKPZVZRE-CYBMUJFWSA-N	-1	3	371.441	1.513	20	10		FDCDHM
CN1CCC[C@@H]1C(=O)N1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1	ZINC000775727909	971794754	/nfs/dbraw/zinc/79/47/54/971794754.db2.gz	BAPFTUBEMFLWFP-OAHLLOKOSA-N	-1	3	355.841	1.923	20	10		FDCDHM
O=C(c1cccc(O)c1[O-])N1CCN(c2ccnc(N3CCCC3)n2)CC1	ZINC001148218463	952651834	/nfs/dbraw/zinc/65/18/34/952651834.db2.gz	DIXOFSFQYNSRJV-UHFFFAOYSA-N	-1	3	369.425	1.450	20	10		FDCDHM
Cc1noc([C@@H]2C[C@@H]3CCN(C(=O)c4cc(O)c([O-])c(O)c4)C[C@H]3O2)n1	ZINC001148582869	952757675	/nfs/dbraw/zinc/75/76/75/952757675.db2.gz	OMBRWTIAAMRWST-QCZZGDTMSA-N	-1	3	361.354	1.487	20	10		FDCDHM
O=C(NC1CCC1)[C@H]1C[C@H]2CN(C(=O)c3cc(O)c([O-])c(O)c3)C[C@H]2C1	ZINC001148584841	952758700	/nfs/dbraw/zinc/75/87/00/952758700.db2.gz	XXWGSQXDHVEGTC-UOJUARBOSA-N	-1	3	360.410	1.570	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCc2cnc(Cl)s2)c1	ZINC000774246276	961911226	/nfs/dbraw/zinc/91/12/26/961911226.db2.gz	PLVNCXFGHPXSMG-UHFFFAOYSA-N	-1	3	361.832	1.804	20	10		FDCDHM
CC(C)(C)OC(=O)N1CC2(C1)C[C@@H](NC(=O)c1cccc(O)c1[O-])CO2	ZINC000855598604	970530796	/nfs/dbraw/zinc/53/07/96/970530796.db2.gz	NZAYEHOHCMVTKN-LLVKDONJSA-N	-1	3	364.398	1.606	20	10		FDCDHM
CC(=O)c1cc(CN2C[C@@H]3COC(=O)[C@@H]3C2)c([O-])c(CN2CCOCC2)c1	ZINC000863337835	972825638	/nfs/dbraw/zinc/82/56/38/972825638.db2.gz	JVKHCEVIYMOZDZ-QZTJIDSGSA-N	-1	3	374.437	1.032	20	10		FDCDHM
O=C1[C@@H](NCc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCN1C1CCOCC1	ZINC000776232393	975227266	/nfs/dbraw/zinc/22/72/66/975227266.db2.gz	XBEBELINVRFJTC-ZDUSSCGKSA-N	-1	3	369.805	1.823	20	10		FDCDHM
CNS(=O)(=O)C[C@@H]1CCCN1Cc1c([O-])cccc1Br	ZINC000862250670	984283791	/nfs/dbraw/zinc/28/37/91/984283791.db2.gz	NOZQCEORZZVOPZ-JTQLQIEISA-N	-1	3	363.277	1.668	20	10		FDCDHM
C[C@@H]1CN(Cc2c([O-])cccc2Br)CCN1S(C)(=O)=O	ZINC000862416418	984382408	/nfs/dbraw/zinc/38/24/08/984382408.db2.gz	VRBNKYKYBOUSQR-SNVBAGLBSA-N	-1	3	363.277	1.620	20	10		FDCDHM
CC(C)C[C@H]1CN(C)CCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000886596165	986406261	/nfs/dbraw/zinc/40/62/61/986406261.db2.gz	XZRFDCKBIJKBIQ-AWEZNQCLSA-N	-1	3	369.487	1.566	20	10		FDCDHM
CC(=O)c1cc(F)cc(CN2CCn3c(nnc3-c3cnn(C)c3)C2)c1[O-]	ZINC000370169428	989512157	/nfs/dbraw/zinc/51/21/57/989512157.db2.gz	PIDCNTKCFFFYQR-UHFFFAOYSA-N	-1	3	370.388	1.742	20	10		FDCDHM
CN(C)c1ccc([C@@H](CNC(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)N(C)C)cc1	ZINC001598313678	991290823	/nfs/dbraw/zinc/29/08/23/991290823.db2.gz	UTCDXPSSEJRBSE-MJEZEWASSA-N	-1	3	374.485	1.908	20	10		FDCDHM
O=C(NCc1c([O-])cccc1F)[C@@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F	ZINC000928709707	1001632885	/nfs/dbraw/zinc/63/28/85/1001632885.db2.gz	DOONVDQTSZKDNY-BDAKNGLRSA-N	-1	3	355.309	1.371	20	10		FDCDHM
CC(=O)N1CCN(c2cccc(NC(=O)c3cccc4n[n-]nc43)c2)CC1	ZINC000188922065	1002118888	/nfs/dbraw/zinc/11/88/88/1002118888.db2.gz	BDCNUGRZSCBJJG-UHFFFAOYSA-N	-1	3	364.409	1.879	20	10		FDCDHM
CO[C@H](C)CN(C)Cc1cc(C(C)=O)cc(CN2CCOCC2)c1[O-]	ZINC000795746552	1008167770	/nfs/dbraw/zinc/16/77/70/1008167770.db2.gz	HQGKRONYLKMDGN-CQSZACIVSA-N	-1	3	350.459	1.894	20	10		FDCDHM
Cc1nc(C(C)(C)NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])no1	ZINC000271237402	674326710	/nfs/dbraw/zinc/32/67/10/674326710.db2.gz	GXGDVEXAQLLUCN-UHFFFAOYSA-N	-1	3	354.388	1.120	20	10		FDCDHM
CCN(Cc1cc(Br)ccc1[O-])C(=O)CSCC(N)=O	ZINC000137251770	524234142	/nfs/dbraw/zinc/23/41/42/524234142.db2.gz	PABWXOPJYLSXSW-UHFFFAOYSA-N	-1	3	361.261	1.722	20	10		FDCDHM
Cc1cc(C[C@H](C)NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])[nH]n1	ZINC000269082560	537018565	/nfs/dbraw/zinc/01/85/65/537018565.db2.gz	XRTZSROBLKUBPK-VIFPVBQESA-N	-1	3	352.416	1.156	20	10		FDCDHM
CCN(C)C(=O)[C@@H](C)N1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O	ZINC000279937854	537359323	/nfs/dbraw/zinc/35/93/23/537359323.db2.gz	BCRLHUFMXQPSFO-SNVBAGLBSA-N	-1	3	353.806	1.677	20	10		FDCDHM
CN(C)c1ccc(CN(Cc2ccco2)C(=O)C[C@@H]2NC(=O)[N-]C2=O)cc1	ZINC000271017353	537395699	/nfs/dbraw/zinc/39/56/99/537395699.db2.gz	NDTZZHCXZJSKSE-INIZCTEOSA-N	-1	3	370.409	1.473	20	10		FDCDHM
Cc1ccc(C(=O)NC2CCN(CC(=O)N3CCCC3)CC2)c([O-])c1O	ZINC000365021518	537413899	/nfs/dbraw/zinc/41/38/99/537413899.db2.gz	UMZMFRRBVUXTIY-UHFFFAOYSA-N	-1	3	361.442	1.223	20	10		FDCDHM
C[C@@]1(C[C@@H]2CCCN2C(=O)C=Cc2ccc(O)c(O)c2)NC(=O)[N-]C1=O	ZINC000287910239	537448405	/nfs/dbraw/zinc/44/84/05/537448405.db2.gz	POVCBDCQZPMBSE-CKFRZIJHSA-N	-1	3	359.382	1.090	20	10		FDCDHM
CN1C(=O)NC2(CCN(Cc3cc(Br)ccc3[O-])CC2)C1=O	ZINC000289514429	537573187	/nfs/dbraw/zinc/57/31/87/537573187.db2.gz	UYTWCPUEIFPHDT-UHFFFAOYSA-N	-1	3	368.231	1.671	20	10		FDCDHM
C[C@@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCN(C2CC2)C1	ZINC000295321119	537712351	/nfs/dbraw/zinc/71/23/51/537712351.db2.gz	LCNZYFSEAQAEMP-LBPRGKRZSA-N	-1	3	367.471	1.320	20	10		FDCDHM
O=C([O-])c1cccc(CNCc2ccc(N3CCS(=O)(=O)CC3)cc2)c1	ZINC000821552273	598203869	/nfs/dbraw/zinc/20/38/69/598203869.db2.gz	DYNYGNPJIJORNG-UHFFFAOYSA-N	-1	3	374.462	1.909	20	10		FDCDHM
CN(C)c1ccc(CNC(=O)CNc2ccc(-c3nn[n-]n3)cc2)cc1	ZINC000736774244	598415853	/nfs/dbraw/zinc/41/58/53/598415853.db2.gz	SSNWBVIQVLDSHT-UHFFFAOYSA-N	-1	3	351.414	1.661	20	10		FDCDHM
Cc1cccc(NC(=O)C(=O)NCc2ccccc2O)c1-c1nnn[n-]1	ZINC000822319192	599604537	/nfs/dbraw/zinc/60/45/37/599604537.db2.gz	MCTJMOQPRSKZCA-UHFFFAOYSA-N	-1	3	352.354	1.136	20	10		FDCDHM
Cc1cccc(NC(=O)C(=O)NCc2ccccc2O)c1-c1nn[n-]n1	ZINC000822319192	599604539	/nfs/dbraw/zinc/60/45/39/599604539.db2.gz	MCTJMOQPRSKZCA-UHFFFAOYSA-N	-1	3	352.354	1.136	20	10		FDCDHM
C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c(C)o1	ZINC000273151754	674512004	/nfs/dbraw/zinc/51/20/04/674512004.db2.gz	HXOCGFUVRZSVAS-VIFPVBQESA-N	-1	3	368.411	1.268	20	10		FDCDHM
COc1ccc(N2CCC(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)cc1	ZINC000826208883	609206586	/nfs/dbraw/zinc/20/65/86/609206586.db2.gz	DNQAOAUZIXAHKC-UHFFFAOYSA-N	-1	3	367.413	1.602	20	10		FDCDHM
COc1ccc(N2CCC(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)cc1	ZINC000826208883	609206588	/nfs/dbraw/zinc/20/65/88/609206588.db2.gz	DNQAOAUZIXAHKC-UHFFFAOYSA-N	-1	3	367.413	1.602	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCOC[C@H]2CC(F)F)c1	ZINC000286691364	675898950	/nfs/dbraw/zinc/89/89/50/675898950.db2.gz	JJXHGZDKTXAMPB-SNVBAGLBSA-N	-1	3	364.370	1.260	20	10		FDCDHM
CC(C)NC(=O)CN1CCN(Cc2cc(Br)ccc2[O-])CC1	ZINC000119572785	671676412	/nfs/dbraw/zinc/67/64/12/671676412.db2.gz	XZIUWFNIECQZBA-UHFFFAOYSA-N	-1	3	370.291	1.797	20	10		FDCDHM
COC(=O)[C@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1(C)C	ZINC000364258776	677002974	/nfs/dbraw/zinc/00/29/74/677002974.db2.gz	JHTDUTNNTISWEW-GFCCVEGCSA-N	-1	3	370.427	1.035	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCOC[C@H]2c2ccco2)c1	ZINC000364849388	677056372	/nfs/dbraw/zinc/05/63/72/677056372.db2.gz	GXUNRKZBRNROTE-ZDUSSCGKSA-N	-1	3	366.395	1.570	20	10		FDCDHM
O=C(COc1ccc(CCNC(=O)c2cccc(O)c2[O-])cc1)NC1CC1	ZINC000274915157	770983739	/nfs/dbraw/zinc/98/37/39/770983739.db2.gz	VPNYAIZLDOAESK-UHFFFAOYSA-N	-1	3	370.405	1.728	20	10		FDCDHM
O=C(NCc1cccc(OCCN2CCOCC2)c1)c1cccc(O)c1[O-]	ZINC000274929921	771005063	/nfs/dbraw/zinc/00/50/63/771005063.db2.gz	AMMQOILZRQBPKH-UHFFFAOYSA-N	-1	3	372.421	1.739	20	10		FDCDHM
CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1cccc(O)c1[O-]	ZINC000275041427	771092526	/nfs/dbraw/zinc/09/25/26/771092526.db2.gz	RDGXDNQBFYIKLR-UHFFFAOYSA-N	-1	3	372.377	1.970	20	10		FDCDHM
Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1	ZINC000893053035	792666805	/nfs/dbraw/zinc/66/68/05/792666805.db2.gz	KEGSEDAJBPYUDJ-OAHLLOKOSA-N	-1	3	370.457	1.635	20	10		FDCDHM
CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)NCc1c([O-])cccc1F	ZINC000922457737	878237407	/nfs/dbraw/zinc/23/74/07/878237407.db2.gz	LSEKBKDXRNPHFO-LLVKDONJSA-N	-1	3	359.423	1.145	20	10		FDCDHM
O=C(NCc1c([O-])cccc1F)NCC1(N2CCOCC2)CCOCC1	ZINC000922838087	879444025	/nfs/dbraw/zinc/44/40/25/879444025.db2.gz	GXEVPXUBUUFQJZ-UHFFFAOYSA-N	-1	3	367.421	1.212	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCc2ccc(F)cc2F)c1	ZINC000919812206	886215949	/nfs/dbraw/zinc/21/59/49/886215949.db2.gz	PJECYYFQPUQLAR-UHFFFAOYSA-N	-1	3	356.350	1.972	20	10		FDCDHM
COC(=O)c1cc(S(=O)(=O)[N-]Cc2cc(OC)ccc2O)oc1C	ZINC000751418614	910916636	/nfs/dbraw/zinc/91/66/36/910916636.db2.gz	OAIQVGHMMOFKBG-UHFFFAOYSA-N	-1	3	355.368	1.567	20	10		FDCDHM
Cc1noc(C)c1[C@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000733806693	922037833	/nfs/dbraw/zinc/03/78/33/922037833.db2.gz	JVSOLRFLMCMVKV-QMMMGPOBSA-N	-1	3	353.400	1.860	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H](CCO)c2cccs2)c1	ZINC000770022396	929802434	/nfs/dbraw/zinc/80/24/34/929802434.db2.gz	FAAKVEKNMQKBMK-LBPRGKRZSA-N	-1	3	370.452	1.679	20	10		FDCDHM
Cc1ccsc1[C@H](CO)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000771238716	930532216	/nfs/dbraw/zinc/53/22/16/930532216.db2.gz	OYRZGSUXPXDBSP-LBPRGKRZSA-N	-1	3	370.452	1.597	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCOCc2ccccc2)c1	ZINC000746894943	933474114	/nfs/dbraw/zinc/47/41/14/933474114.db2.gz	OYNGKQUBHAPAOA-UHFFFAOYSA-N	-1	3	364.423	1.710	20	10		FDCDHM
COc1ccccc1C(=O)N1CCN(C(=O)c2cccc(O)c2[O-])CC1	ZINC000790533278	933592887	/nfs/dbraw/zinc/59/28/87/933592887.db2.gz	TVMVZYWQUATHJM-UHFFFAOYSA-N	-1	3	356.378	1.705	20	10		FDCDHM
CCOCCCNC(=O)C1CCN(C(=O)c2cccc(O)c2[O-])CC1	ZINC000790541458	933610968	/nfs/dbraw/zinc/61/09/68/933610968.db2.gz	JKKQIWCVMAITRK-UHFFFAOYSA-N	-1	3	350.415	1.493	20	10		FDCDHM
COc1ccc(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c(O)c1	ZINC000794388473	938397558	/nfs/dbraw/zinc/39/75/58/938397558.db2.gz	VNYMODHNEUCELV-UHFFFAOYSA-N	-1	3	366.395	1.408	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCOC[C@H]2CC2CCC2)c1	ZINC000819307074	943511560	/nfs/dbraw/zinc/51/15/60/943511560.db2.gz	PTIRWAWKTCPYOD-CQSZACIVSA-N	-1	3	368.455	1.795	20	10		FDCDHM
CCOC(=O)[C@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC12COC2	ZINC000824490070	946470824	/nfs/dbraw/zinc/47/08/24/946470824.db2.gz	UFIBHLGALJGPDV-GFCCVEGCSA-N	-1	3	370.789	1.965	20	10		FDCDHM
CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1cc(Cl)c(C)cc1[O-]	ZINC000824517016	946496950	/nfs/dbraw/zinc/49/69/50/946496950.db2.gz	YFELGBJCHAUGMR-ZDUSSCGKSA-N	-1	3	374.890	1.479	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC[C@@H](c3cccnc3)C2)c1	ZINC000843967611	947548550	/nfs/dbraw/zinc/54/85/50/947548550.db2.gz	PMVHTCZOPXTELY-CYBMUJFWSA-N	-1	3	361.423	1.788	20	10		FDCDHM
COCCOCCN1CCN(Cc2cc(F)cc(C(C)=O)c2[O-])CC1	ZINC000844468897	948105699	/nfs/dbraw/zinc/10/56/99/948105699.db2.gz	ZOKHKGCUWIHPGE-UHFFFAOYSA-N	-1	3	354.422	1.515	20	10		FDCDHM
C[S@](=O)[C@H]1CCC[C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1	ZINC000857310290	971712591	/nfs/dbraw/zinc/71/25/91/971712591.db2.gz	WMGDYVVHNUTNRC-MRTUKWCHSA-N	-1	3	374.484	1.183	20	10		FDCDHM
O=C(c1cccc(O)c1[O-])N1CCC2(C[C@H](c3cccnc3)C(=O)N2)CC1	ZINC001148214723	952649409	/nfs/dbraw/zinc/64/94/09/952649409.db2.gz	VWDPKXDHDWJGJO-OAHLLOKOSA-N	-1	3	367.405	1.771	20	10		FDCDHM
O=C(Nc1ncnn2c(Br)ccc12)c1cc(O)c([O-])c(O)c1	ZINC001148582096	952757273	/nfs/dbraw/zinc/75/72/73/952757273.db2.gz	WVTXJNHRQJMJFO-UHFFFAOYSA-N	-1	3	365.143	1.283	20	10		FDCDHM
O=C(c1cc(O)c([O-])c(O)c1)N1CC[C@H](S(=O)(=O)c2ccccc2)C1	ZINC001148583819	952757734	/nfs/dbraw/zinc/75/77/34/952757734.db2.gz	CJZFFOZHULXVSD-ZDUSSCGKSA-N	-1	3	363.391	1.492	20	10		FDCDHM
CC(C)(C)OC(=O)N=c1ccn(C(=O)c2cc(O)c([O-])c(O)c2)cc1N	ZINC001148582891	952757763	/nfs/dbraw/zinc/75/77/63/952757763.db2.gz	PNXBVMPMQQMHBB-UHFFFAOYSA-N	-1	3	361.354	1.711	20	10		FDCDHM
O=C(c1cc(O)c([O-])c(O)c1)N1CC[C@@H](S(=O)(=O)c2ccccc2)C1	ZINC001148583818	952757854	/nfs/dbraw/zinc/75/78/54/952757854.db2.gz	CJZFFOZHULXVSD-CYBMUJFWSA-N	-1	3	363.391	1.492	20	10		FDCDHM
COc1ccccc1CN1CC[C@H](NC(=O)c2cc(O)c([O-])c(O)c2)C1	ZINC001148590440	952761281	/nfs/dbraw/zinc/76/12/81/952761281.db2.gz	KCHQJRBSHDTDRJ-AWEZNQCLSA-N	-1	3	358.394	1.816	20	10		FDCDHM
COc1ccnc(C2(CNC(=O)c3cc(O)c([O-])c(O)c3)CCOCC2)c1	ZINC001148590227	952761304	/nfs/dbraw/zinc/76/13/04/952761304.db2.gz	DWPNMSWDZRROAA-UHFFFAOYSA-N	-1	3	374.393	1.685	20	10		FDCDHM
COC(=O)[C@@H]1CCS(=O)(=O)C12CN(Cc1cc(Cl)ccc1[O-])C2	ZINC001203664226	965508039	/nfs/dbraw/zinc/50/80/39/965508039.db2.gz	RMRBZMWDTQYICP-LBPRGKRZSA-N	-1	3	359.831	1.208	20	10		FDCDHM
CN(C)c1ccc([C@H](CNC(=O)NCC2(C(=O)[O-])CCC2)N(C)C)cc1	ZINC001340567014	969744803	/nfs/dbraw/zinc/74/48/03/969744803.db2.gz	MBYWMKIIMWNVNM-INIZCTEOSA-N	-1	3	362.474	1.909	20	10		FDCDHM
COc1ccc(CNC(=O)C=Cc2ccc(O)c(O)c2)cc1-c1nnn[n-]1	ZINC000826197054	979618226	/nfs/dbraw/zinc/61/82/26/979618226.db2.gz	XWNAEVFOTLKKJZ-QPJJXVBHSA-N	-1	3	367.365	1.616	20	10		FDCDHM
COc1ccc(CNC(=O)C=Cc2ccc(O)c(O)c2)cc1-c1nn[n-]n1	ZINC000826197054	979618229	/nfs/dbraw/zinc/61/82/29/979618229.db2.gz	XWNAEVFOTLKKJZ-QPJJXVBHSA-N	-1	3	367.365	1.616	20	10		FDCDHM
CC(C)(C)OC(=O)CN1CCC(NC(=O)c2cccc(O)c2[O-])CC1	ZINC000871543172	987113951	/nfs/dbraw/zinc/11/39/51/987113951.db2.gz	NZUNJGLSALNAMI-UHFFFAOYSA-N	-1	3	350.415	1.634	20	10		FDCDHM
C[C@@]1([N-]C(=O)C(F)(F)F)CCN(Cc2cc3c(cc2O)OC[C@@H]3O)C1	ZINC000872754005	988037904	/nfs/dbraw/zinc/03/79/04/988037904.db2.gz	TXHDCMVGEYKFFD-SWLSCSKDSA-N	-1	3	360.332	1.461	20	10		FDCDHM
CN(C(=O)c1cccc(O)c1[O-])[C@H]1CC(=O)N(Cc2ccccc2)C1=O	ZINC000365753099	988046269	/nfs/dbraw/zinc/04/62/69/988046269.db2.gz	LHVYPSJXMQZSGO-AWEZNQCLSA-N	-1	3	354.362	1.498	20	10		FDCDHM
CN(C)c1ccc(CNC(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)cc1F	ZINC001598318314	991314016	/nfs/dbraw/zinc/31/40/16/991314016.db2.gz	WPOBDTZJVRZFHJ-UHFFFAOYSA-N	-1	3	366.437	1.582	20	10		FDCDHM
COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@@H]1CCc2ncnn21	ZINC000878242473	993824333	/nfs/dbraw/zinc/82/43/33/993824333.db2.gz	KITMRRPGCAEKJM-ZDUSSCGKSA-N	-1	3	350.806	1.800	20	10		FDCDHM
COC(=O)C1=NO[C@@]2(CCN(Cc3cc(F)cc(C(C)=O)c3[O-])C2)C1	ZINC000879484080	994949951	/nfs/dbraw/zinc/94/99/51/994949951.db2.gz	RWKZVEIJMMFGJY-KRWDZBQOSA-N	-1	3	350.346	1.628	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H]2C2CCOCC2)c1	ZINC000777495669	999114656	/nfs/dbraw/zinc/11/46/56/999114656.db2.gz	HGJGXRVVGQYPLT-OAHLLOKOSA-N	-1	3	368.455	1.795	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H](CO)c2ccccc2)c1	ZINC000778335085	1005912030	/nfs/dbraw/zinc/91/20/30/1005912030.db2.gz	GZBJSVVTTIQYNL-AWEZNQCLSA-N	-1	3	350.396	1.227	20	10		FDCDHM
O=S(=O)([C@@H]1CCCN(Cc2c([O-])cccc2Cl)C1)N1CCOCC1	ZINC000779606802	1010376924	/nfs/dbraw/zinc/37/69/24/1010376924.db2.gz	ANNXYZGKCXFFNH-CYBMUJFWSA-N	-1	3	374.890	1.672	20	10		FDCDHM
CC(=O)c1cc(F)cc(CN2CCN(c3nc(N)ns3)CC2)c1[O-]	ZINC000268282012	674086817	/nfs/dbraw/zinc/08/68/17/674086817.db2.gz	GFBBPZTWWIPQDR-UHFFFAOYSA-N	-1	3	351.407	1.490	20	10		FDCDHM
CCCN(CC(=O)N(CC)[C@@H]1CCS(=O)(=O)C1)Cc1ccccc1[O-]	ZINC000069009885	521782401	/nfs/dbraw/zinc/78/24/01/521782401.db2.gz	WLEAIVXAVOQCLG-MRXNPFEDSA-N	-1	3	368.499	1.640	20	10		FDCDHM
[O-]c1ccc(F)cc1CN1CCN(c2cc(N3CCOCC3)ncn2)CC1	ZINC000180181437	525670453	/nfs/dbraw/zinc/67/04/53/525670453.db2.gz	QLJSYSDXIXVCDA-UHFFFAOYSA-N	-1	3	373.432	1.480	20	10		FDCDHM
C[C@@H](NC(N)=O)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1	ZINC000134262832	526140059	/nfs/dbraw/zinc/14/00/59/526140059.db2.gz	WBGSWKJDPKVSAG-MFKMUULPSA-N	-1	3	354.838	1.183	20	10		FDCDHM
CN(CC(=O)N1CCC(C(=O)N2CCCC2)CC1)Cc1ccccc1[O-]	ZINC000109773748	526183789	/nfs/dbraw/zinc/18/37/89/526183789.db2.gz	PWZPTKRPZHCMOD-UHFFFAOYSA-N	-1	3	359.470	1.685	20	10		FDCDHM
COC(=O)[C@H]1CCN(Cc2cc(F)cc(C(C)=O)c2[O-])[C@H](C(=O)OC)C1	ZINC000272619712	537305893	/nfs/dbraw/zinc/30/58/93/537305893.db2.gz	UONVXSANEZTXFO-NHYWBVRUSA-N	-1	3	367.373	1.661	20	10		FDCDHM
COc1c([O-])c(CN2CCN(CC(C)(C)O)C[C@H]2C)ccc1[N+](=O)[O-]	ZINC000278412122	537317784	/nfs/dbraw/zinc/31/77/84/537317784.db2.gz	QDACIJCXCVPGDY-GFCCVEGCSA-N	-1	3	353.419	1.586	20	10		FDCDHM
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cn(C)c(=O)[n-]c1=O	ZINC000298813487	537330018	/nfs/dbraw/zinc/33/00/18/537330018.db2.gz	PSTOXABORBAAFQ-UHFFFAOYSA-N	-1	3	356.426	1.748	20	10		FDCDHM
CN(C)S(=O)(=O)CCCS(=O)(=O)Nc1ccc([O-])c(Cl)c1	ZINC000290544031	537370335	/nfs/dbraw/zinc/37/03/35/537370335.db2.gz	POGIBNJOVZXTBV-UHFFFAOYSA-N	-1	3	356.853	1.069	20	10		FDCDHM
COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)C(=O)NCC1CC1	ZINC000276422605	537499844	/nfs/dbraw/zinc/49/98/44/537499844.db2.gz	DBZRWRHVEODXIO-UHFFFAOYSA-N	-1	3	354.790	1.073	20	10		FDCDHM
COc1ccc(N2CCN(C(=O)c3ccc(-c4nnn[n-]4)cn3)CC2)cc1	ZINC000737100320	598436865	/nfs/dbraw/zinc/43/68/65/598436865.db2.gz	WTRPENYLWTZOPK-UHFFFAOYSA-N	-1	3	365.397	1.233	20	10		FDCDHM
COc1ccc(N2CCN(C(=O)c3ccc(-c4nn[n-]n4)cn3)CC2)cc1	ZINC000737100320	598436867	/nfs/dbraw/zinc/43/68/67/598436867.db2.gz	WTRPENYLWTZOPK-UHFFFAOYSA-N	-1	3	365.397	1.233	20	10		FDCDHM
CNC(=O)CN(C)C(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C	ZINC000736872893	598610293	/nfs/dbraw/zinc/61/02/93/598610293.db2.gz	CXTZYUMZWFENJW-UHFFFAOYSA-N	-1	3	367.413	1.092	20	10		FDCDHM
Cc1cc(N(C)C)ccc1CNS(=O)(=O)c1ccccc1-c1nnn[n-]1	ZINC000826268575	607617373	/nfs/dbraw/zinc/61/73/73/607617373.db2.gz	CMZALVMGYAMMCW-UHFFFAOYSA-N	-1	3	372.454	1.720	20	10		FDCDHM
Cc1cc(N(C)C)ccc1CNS(=O)(=O)c1ccccc1-c1nn[n-]n1	ZINC000826268575	607617375	/nfs/dbraw/zinc/61/73/75/607617375.db2.gz	CMZALVMGYAMMCW-UHFFFAOYSA-N	-1	3	372.454	1.720	20	10		FDCDHM
CN(CC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccc2c(c1)OCO2	ZINC000825892305	607927330	/nfs/dbraw/zinc/92/73/30/607927330.db2.gz	JOANSVQANMUBCE-UHFFFAOYSA-N	-1	3	352.354	1.670	20	10		FDCDHM
CN(CC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccc2c(c1)OCO2	ZINC000825892305	607927331	/nfs/dbraw/zinc/92/73/31/607927331.db2.gz	JOANSVQANMUBCE-UHFFFAOYSA-N	-1	3	352.354	1.670	20	10		FDCDHM
O=C(NCCc1ccc(O)c(O)c1)c1ncc(-c2nnn[n-]2)cc1Cl	ZINC000826439204	608079021	/nfs/dbraw/zinc/07/90/21/608079021.db2.gz	JSIPGJLKFWQRLB-UHFFFAOYSA-N	-1	3	360.761	1.299	20	10		FDCDHM
O=C(NCCc1ccc(O)c(O)c1)c1ncc(-c2nn[n-]n2)cc1Cl	ZINC000826439204	608079022	/nfs/dbraw/zinc/07/90/22/608079022.db2.gz	JSIPGJLKFWQRLB-UHFFFAOYSA-N	-1	3	360.761	1.299	20	10		FDCDHM
C[N-]S(=O)(=O)c1cc(C(=O)NCc2ccc(N(C)C)cc2)ccc1F	ZINC000177395474	672124802	/nfs/dbraw/zinc/12/48/02/672124802.db2.gz	UAOGCZQLDOEWRR-UHFFFAOYSA-N	-1	3	365.430	1.730	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC[C@@H](CO)C2CCCCC2)c1	ZINC000294702598	676396219	/nfs/dbraw/zinc/39/62/19/676396219.db2.gz	VEFZKJKTGLYLEG-ZDUSSCGKSA-N	-1	3	370.471	1.682	20	10		FDCDHM
CCN(Cc1cnn(C)c1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000299342610	676529059	/nfs/dbraw/zinc/52/90/59/676529059.db2.gz	RWMXZKZBJAWAFR-UHFFFAOYSA-N	-1	3	352.416	1.160	20	10		FDCDHM
CN(Cc1cccc(Br)c1[O-])[C@@H]1CCN(S(C)(=O)=O)C1	ZINC000312993102	676550375	/nfs/dbraw/zinc/55/03/75/676550375.db2.gz	MNOFBRUSVSPSGV-LLVKDONJSA-N	-1	3	363.277	1.620	20	10		FDCDHM
Cn1ccnc1[C@H]1CCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000366716150	677462565	/nfs/dbraw/zinc/46/25/65/677462565.db2.gz	AIQCKGSCDBQCPR-CYBMUJFWSA-N	-1	3	364.427	1.475	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC[C@H](C3CCOCC3)C2)c1	ZINC000372203036	677866208	/nfs/dbraw/zinc/86/62/08/677866208.db2.gz	DJVVFLJDYXWTAZ-ZDUSSCGKSA-N	-1	3	368.455	1.652	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H]2COc3cccc(F)c32)c1	ZINC000378631762	678765450	/nfs/dbraw/zinc/76/54/50/678765450.db2.gz	KAOWCGRRFBFIFC-LBPRGKRZSA-N	-1	3	366.370	1.766	20	10		FDCDHM
CNC(=O)NC[C@@H]1CN(Cc2ccc(Br)cc2[O-])CCO1	ZINC000529641910	694790506	/nfs/dbraw/zinc/79/05/06/694790506.db2.gz	GJVXPMSFXZVXCQ-GFCCVEGCSA-N	-1	3	358.236	1.285	20	10		FDCDHM
O=C(NCc1cc(Cl)c2cccnc2c1[O-])[C@H]1CCCS1(=O)=O	ZINC001143484429	790865412	/nfs/dbraw/zinc/86/54/12/790865412.db2.gz	OULZGFZPQQFWPL-GFCCVEGCSA-N	-1	3	354.815	1.787	20	10		FDCDHM
COCC(COC)N1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CC1	ZINC000840954428	828119377	/nfs/dbraw/zinc/11/93/77/828119377.db2.gz	JJMRAQUXBNJBMQ-UHFFFAOYSA-N	-1	3	369.418	1.088	20	10		FDCDHM
O=C(NCc1c([O-])cccc1F)[C@@H]1CS(=O)(=O)C[C@H]1C(F)(F)F	ZINC000928709710	828189266	/nfs/dbraw/zinc/18/92/66/828189266.db2.gz	DOONVDQTSZKDNY-RKDXNWHRSA-N	-1	3	355.309	1.371	20	10		FDCDHM
O=C(NCc1c([O-])cccc1F)N[C@@H]1CCCN(CC(F)(F)F)C1=O	ZINC000921570193	908436682	/nfs/dbraw/zinc/43/66/82/908436682.db2.gz	YORBMMXRNIDLBX-LLVKDONJSA-N	-1	3	363.311	1.884	20	10		FDCDHM
CC(C)OC1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1	ZINC000730593977	917063297	/nfs/dbraw/zinc/06/32/97/917063297.db2.gz	ZNLHPPXSAGDLAP-UHFFFAOYSA-N	-1	3	356.444	1.793	20	10		FDCDHM
CC(C)c1cc(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])on1	ZINC000734025757	922824056	/nfs/dbraw/zinc/82/40/56/922824056.db2.gz	FDHONJWCQSVPRC-UHFFFAOYSA-N	-1	3	353.400	1.805	20	10		FDCDHM
Cc1cccn2cc(CNC(=O)c3cc(NS(C)(=O)=O)ccc3[O-])nc12	ZINC000736675298	924875038	/nfs/dbraw/zinc/87/50/38/924875038.db2.gz	ZQJBIRJOLZJYGR-UHFFFAOYSA-N	-1	3	374.422	1.650	20	10		FDCDHM
O=C(CNC(=O)c1ccc([O-])cc1)NCCCSc1nccs1	ZINC000736680851	924875965	/nfs/dbraw/zinc/87/59/65/924875965.db2.gz	XXNYVOZHBSYMOI-UHFFFAOYSA-N	-1	3	351.453	1.877	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCc2ccc(O)c(F)c2)c1	ZINC000738550973	925171624	/nfs/dbraw/zinc/17/16/24/925171624.db2.gz	HAQKFZJTRPFRCL-UHFFFAOYSA-N	-1	3	354.359	1.538	20	10		FDCDHM
COC(=O)[C@@H](C)CN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C1CC1	ZINC000769753808	929642509	/nfs/dbraw/zinc/64/25/09/929642509.db2.gz	QAVCUGPODKFJRB-JTQLQIEISA-N	-1	3	370.427	1.177	20	10		FDCDHM
Cc1ncc(CCNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])s1	ZINC000772535824	931340589	/nfs/dbraw/zinc/34/05/89/931340589.db2.gz	QLKKINNCDREKGX-UHFFFAOYSA-N	-1	3	355.441	1.501	20	10		FDCDHM
Cc1ccc(C(=O)Nc2ccc3c(c2)CN(CC(N)=O)CC3)c([O-])c1O	ZINC000790156435	933391764	/nfs/dbraw/zinc/39/17/64/933391764.db2.gz	DCOAQRLBXVRNEK-UHFFFAOYSA-N	-1	3	355.394	1.502	20	10		FDCDHM
C[C@@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC2(CCCC2)O1	ZINC000844113217	947765366	/nfs/dbraw/zinc/76/53/66/947765366.db2.gz	DLOTVPQJRABLQC-GFCCVEGCSA-N	-1	3	368.455	1.937	20	10		FDCDHM
NS(=O)(=O)CCCC(=O)NCc1cc(Cl)c2cccnc2c1[O-]	ZINC001144595191	949968434	/nfs/dbraw/zinc/96/84/34/949968434.db2.gz	SKRBRFMDYUASDL-UHFFFAOYSA-N	-1	3	357.819	1.279	20	10		FDCDHM
O=C([O-])c1cnn2c1[nH]c(CN1CCC(C3CCOCC3)CC1)cc2=O	ZINC000846252014	950795632	/nfs/dbraw/zinc/79/56/32/950795632.db2.gz	NBAATXPPAICLPK-UHFFFAOYSA-N	-1	3	360.414	1.772	20	10		FDCDHM
CC(C)(CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])OCC1CC1	ZINC000839839666	952402386	/nfs/dbraw/zinc/40/23/86/952402386.db2.gz	BOPBBPHJXNHHAD-UHFFFAOYSA-N	-1	3	356.444	1.699	20	10		FDCDHM
CC(C)(C)OC(=O)NCC12CC(C1)CN2C(=O)c1cc(O)c([O-])c(O)c1	ZINC001148583112	952757798	/nfs/dbraw/zinc/75/77/98/952757798.db2.gz	UCPQMVMNAIKIMV-UHFFFAOYSA-N	-1	3	364.398	1.933	20	10		FDCDHM
C[C@@H]([N-]S(=O)(=O)c1c[nH]c(=O)s1)c1ccc(N2CCOCC2)cc1	ZINC000866605522	975827847	/nfs/dbraw/zinc/82/78/47/975827847.db2.gz	OSBXATCQIZDRPX-LLVKDONJSA-N	-1	3	369.468	1.725	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H]2c2ncon2)c1	ZINC000848111308	976334146	/nfs/dbraw/zinc/33/41/46/976334146.db2.gz	CFQZQVFCJOUCLB-LLVKDONJSA-N	-1	3	352.372	1.124	20	10		FDCDHM
CN1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C[C@H]1C(C)(C)C	ZINC000880614392	979356442	/nfs/dbraw/zinc/35/64/42/979356442.db2.gz	VABJQGAVJSMCPD-HNNXBMFYSA-N	-1	3	369.487	1.566	20	10		FDCDHM
CC[C@H](CO)N1CCN(Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])CC1	ZINC001595174484	979756107	/nfs/dbraw/zinc/75/61/07/979756107.db2.gz	QDBAKKNCXPHSLF-CQSZACIVSA-N	-1	3	363.433	1.904	20	10		FDCDHM
O=C(c1cccc(O)c1[O-])N1CC(S(=O)(=O)N2CCc3ccccc32)C1	ZINC000365757140	988051071	/nfs/dbraw/zinc/05/10/71/988051071.db2.gz	HHBYXWAEMLUJCM-UHFFFAOYSA-N	-1	3	374.418	1.315	20	10		FDCDHM
Cc1cc([O-])c(CN2CCCN(S(=O)(=O)N(C)C)CC2)cc1Cl	ZINC000825948618	993144841	/nfs/dbraw/zinc/14/48/41/993144841.db2.gz	GFMGRSFGFVUJJK-UHFFFAOYSA-N	-1	3	361.895	1.668	20	10		FDCDHM
CN1CCN(C(=O)NCCCSc2nccs2)C[C@H](C(=O)[O-])C1	ZINC001598607642	993695920	/nfs/dbraw/zinc/69/59/20/993695920.db2.gz	RNRUVSKUSDYNCH-LLVKDONJSA-N	-1	3	358.489	1.283	20	10		FDCDHM
O=C(NCCN1Cc2ccccc2OCC1=O)NCc1c([O-])cccc1F	ZINC000924526284	994791191	/nfs/dbraw/zinc/79/11/91/994791191.db2.gz	UKZQCQNCZFSLBG-UHFFFAOYSA-N	-1	3	373.384	1.752	20	10		FDCDHM
COC(=O)[C@H]1CCN(Cc2cc(Cl)cc(OC)c2O)[C@H](C(=O)[O-])C1	ZINC001598797079	996115780	/nfs/dbraw/zinc/11/57/80/996115780.db2.gz	AFHJMFVYNXKBGJ-CABZTGNLSA-N	-1	3	357.790	1.892	20	10		FDCDHM
CS(=O)(=O)c1cccc(C(=O)N2CCN(Cc3ccccc3[O-])CC2)c1	ZINC000179576846	525602581	/nfs/dbraw/zinc/60/25/81/525602581.db2.gz	XTQLWFNQOIOCJN-UHFFFAOYSA-N	-1	3	374.462	1.754	20	10		FDCDHM
C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)N(C)Cc1ccccc1[O-]	ZINC000109769860	526181039	/nfs/dbraw/zinc/18/10/39/526181039.db2.gz	ZWUNXEVOTYBOGS-HNNXBMFYSA-N	-1	3	371.437	1.790	20	10		FDCDHM
COC(=O)C[C@@H]1C(=O)NCCN1Cc1cc(Br)cc(C)c1[O-]	ZINC000183508000	535993629	/nfs/dbraw/zinc/99/36/29/535993629.db2.gz	BDAUAUUTERWRQD-GFCCVEGCSA-N	-1	3	371.231	1.327	20	10		FDCDHM
CCCOc1ccc(CN(CCOC)[C@@H]2CCS(=O)(=O)C2)c([O-])c1	ZINC000290314950	537321825	/nfs/dbraw/zinc/32/18/25/537321825.db2.gz	CKMCQTWKXNMJQO-OAHLLOKOSA-N	-1	3	357.472	1.817	20	10		FDCDHM
CCn1cc([C@H]2CS(=O)(=O)CCN2Cc2cc(F)ccc2[O-])cn1	ZINC000290429794	537349353	/nfs/dbraw/zinc/34/93/53/537349353.db2.gz	LFQNBFWTQBGNIN-OAHLLOKOSA-N	-1	3	353.419	1.719	20	10		FDCDHM
COCCCS(=O)(=O)N1CCN(Cc2c([O-])cccc2Cl)CC1	ZINC000271347231	537426366	/nfs/dbraw/zinc/42/63/66/537426366.db2.gz	PFWDXLCUERIJGG-UHFFFAOYSA-N	-1	3	362.879	1.530	20	10		FDCDHM
CCn1ncc(C(=O)N(CC(=O)OC)Cc2cc(Cl)ccc2[O-])n1	ZINC000293371714	537433642	/nfs/dbraw/zinc/43/36/42/537433642.db2.gz	DIARXCBTWYYYCF-UHFFFAOYSA-N	-1	3	352.778	1.472	20	10		FDCDHM
CCC[C@@]1(CO)CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1	ZINC000378143211	538073857	/nfs/dbraw/zinc/07/38/57/538073857.db2.gz	VNPVGQPSLVQNRQ-MRXNPFEDSA-N	-1	3	356.444	1.388	20	10		FDCDHM
COc1ccc(O)c(CNC(=O)COc2ccc(-c3nn[n-]n3)cc2)c1	ZINC000737106763	598921645	/nfs/dbraw/zinc/92/16/45/598921645.db2.gz	XLGYCNMKGRWAIJ-UHFFFAOYSA-N	-1	3	355.354	1.276	20	10		FDCDHM
COc1ccc(O)c(CNC(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)c1	ZINC000737105907	598921878	/nfs/dbraw/zinc/92/18/78/598921878.db2.gz	MOALYSGQEXQCRH-LLVKDONJSA-N	-1	3	369.381	1.665	20	10		FDCDHM
COc1ccc(O)c(CNC(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)c1	ZINC000737105907	598921880	/nfs/dbraw/zinc/92/18/80/598921880.db2.gz	MOALYSGQEXQCRH-LLVKDONJSA-N	-1	3	369.381	1.665	20	10		FDCDHM
Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NCc1ccc(N(C)C)cc1	ZINC000737299306	598948977	/nfs/dbraw/zinc/94/89/77/598948977.db2.gz	XHRKNNMMRSSMFF-UHFFFAOYSA-N	-1	3	372.454	1.720	20	10		FDCDHM
Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NCc1ccc(N(C)C)cc1	ZINC000737299306	598948979	/nfs/dbraw/zinc/94/89/79/598948979.db2.gz	XHRKNNMMRSSMFF-UHFFFAOYSA-N	-1	3	372.454	1.720	20	10		FDCDHM
CCOC(=O)c1cnn2c1[nH]c(CN1CCC[C@H](CC(=O)[O-])C1)cc2=O	ZINC000818229174	597086635	/nfs/dbraw/zinc/08/66/35/597086635.db2.gz	BLSOBCKGLDASDL-LLVKDONJSA-N	-1	3	362.386	1.298	20	10		FDCDHM
COc1ccc(N2CCN(C(=O)CN(CCC(=O)[O-])C(C)C)CC2)cc1	ZINC000738022111	600222495	/nfs/dbraw/zinc/22/24/95/600222495.db2.gz	LIMBVXAATHYENR-UHFFFAOYSA-N	-1	3	363.458	1.529	20	10		FDCDHM
Cc1cc(C(=O)N[C@@H](C)CCO)c(C)n1-c1ccc(-c2nn[n-]n2)cc1	ZINC000826258797	607512079	/nfs/dbraw/zinc/51/20/79/607512079.db2.gz	XKCKCCWJTKDZEJ-NSHDSACASA-N	-1	3	354.414	1.775	20	10		FDCDHM
COc1ccc(CNC(=O)NCc2ccccc2O)cc1-c1nnn[n-]1	ZINC000826200474	607573655	/nfs/dbraw/zinc/57/36/55/607573655.db2.gz	RKZCIXIYLOINMJ-UHFFFAOYSA-N	-1	3	354.370	1.580	20	10		FDCDHM
COc1ccc(CNC(=O)NCc2ccccc2O)cc1-c1nn[n-]n1	ZINC000826200474	607573657	/nfs/dbraw/zinc/57/36/57/607573657.db2.gz	RKZCIXIYLOINMJ-UHFFFAOYSA-N	-1	3	354.370	1.580	20	10		FDCDHM
COc1ccc(N(C)CC(=O)Nc2ccc(-c3nnn[n-]3)cc2)c(OC)c1	ZINC000826209303	607753931	/nfs/dbraw/zinc/75/39/31/607753931.db2.gz	VXRGOTZRQQSBJE-UHFFFAOYSA-N	-1	3	368.397	1.959	20	10		FDCDHM
COc1ccc(N(C)CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)c(OC)c1	ZINC000826209303	607753932	/nfs/dbraw/zinc/75/39/32/607753932.db2.gz	VXRGOTZRQQSBJE-UHFFFAOYSA-N	-1	3	368.397	1.959	20	10		FDCDHM
O=C(CCc1ccc(-c2nnn[n-]2)cc1)NCCc1ccc(O)c(O)c1	ZINC000822977952	607192176	/nfs/dbraw/zinc/19/21/76/607192176.db2.gz	CYNHNZKXWITCJV-UHFFFAOYSA-N	-1	3	353.382	1.569	20	10		FDCDHM
O=C(CCc1ccc(-c2nn[n-]n2)cc1)NCCc1ccc(O)c(O)c1	ZINC000822977952	607192177	/nfs/dbraw/zinc/19/21/77/607192177.db2.gz	CYNHNZKXWITCJV-UHFFFAOYSA-N	-1	3	353.382	1.569	20	10		FDCDHM
C[C@@](O)(CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C1CCCCC1	ZINC000276784316	674768249	/nfs/dbraw/zinc/76/82/49/674768249.db2.gz	QDXAZWPLWNDEOJ-QGZVFWFLSA-N	-1	3	370.471	1.825	20	10		FDCDHM
O=C(c1cccc(O)c1[O-])N1CCN(c2nc(F)c(F)cc2F)CC1	ZINC000277080381	674852524	/nfs/dbraw/zinc/85/25/24/674852524.db2.gz	AGQFERWCXFVFKX-UHFFFAOYSA-N	-1	3	353.300	1.873	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC[C@H]2Cc3ccccc3O2)c1	ZINC000055225205	671230464	/nfs/dbraw/zinc/23/04/64/671230464.db2.gz	VZFVEUKQZGFTIW-CYBMUJFWSA-N	-1	3	362.407	1.497	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H]2c2cc[nH]n2)c1	ZINC000286986059	675910665	/nfs/dbraw/zinc/91/06/65/675910665.db2.gz	HRSOQJIBFLDLOX-ZDUSSCGKSA-N	-1	3	350.400	1.464	20	10		FDCDHM
COCCCNC(=O)[C@@H](C)N1CCN(Cc2cc(Cl)ccc2[O-])CC1	ZINC000093057096	671520035	/nfs/dbraw/zinc/52/00/35/671520035.db2.gz	BEYIPCUNYBBTDP-CQSZACIVSA-N	-1	3	369.893	1.704	20	10		FDCDHM
Cn1cc2c(n1)CCC[C@H]2NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000282584031	675636671	/nfs/dbraw/zinc/63/66/71/675636671.db2.gz	WHZDFAPSLXPSAA-CYBMUJFWSA-N	-1	3	364.427	1.305	20	10		FDCDHM
O=S(=O)(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)N1CCC1	ZINC000370572185	677593299	/nfs/dbraw/zinc/59/32/99/677593299.db2.gz	MXHAIGRVFCNOLI-CQSZACIVSA-N	-1	3	359.879	1.550	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC([C@@H]3CCOC3)CC2)c1	ZINC000371721975	677765666	/nfs/dbraw/zinc/76/56/66/677765666.db2.gz	DDSXFYFKYJPFMX-CYBMUJFWSA-N	-1	3	368.455	1.652	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCO[C@@H](c3ccco3)C2)c1	ZINC000371891060	677801107	/nfs/dbraw/zinc/80/11/07/677801107.db2.gz	BRBARVGQUXDNHC-OAHLLOKOSA-N	-1	3	366.395	1.570	20	10		FDCDHM
COc1ccc(F)c(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1	ZINC001167558699	782401529	/nfs/dbraw/zinc/40/15/29/782401529.db2.gz	KTCRDGZZTWFSQZ-UHFFFAOYSA-N	-1	3	368.386	1.841	20	10		FDCDHM
COC(=O)c1cn(C2CCN(Cc3cc(F)cc(F)c3[O-])CC2)nn1	ZINC000894462148	818094241	/nfs/dbraw/zinc/09/42/41/818094241.db2.gz	VEUBCXRJQVGKSE-UHFFFAOYSA-N	-1	3	352.341	1.886	20	10		FDCDHM
CN(C)c1ccc(CN(C)C(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)cc1	ZINC000898817758	845290113	/nfs/dbraw/zinc/29/01/13/845290113.db2.gz	HNUPOJRNMCEGQY-OAHLLOKOSA-N	-1	3	370.457	1.669	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H]2Cc3cccc(O)c3C2)c1	ZINC000760609269	855546539	/nfs/dbraw/zinc/54/65/39/855546539.db2.gz	KWONRQNVUZPUSC-LBPRGKRZSA-N	-1	3	362.407	1.367	20	10		FDCDHM
COCCOC1(CNC(=O)NCc2c([O-])cccc2F)CCOCC1	ZINC000922664310	878932366	/nfs/dbraw/zinc/93/23/66/878932366.db2.gz	NHPFPRUXORVGJF-UHFFFAOYSA-N	-1	3	356.394	1.543	20	10		FDCDHM
C[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)NCc1c([O-])cccc1F	ZINC000921326483	887742797	/nfs/dbraw/zinc/74/27/97/887742797.db2.gz	LSGNPKZHYVSHIJ-ZWNOBZJWSA-N	-1	3	359.423	1.001	20	10		FDCDHM
Cc1c(S(=O)(=O)NCc2c([O-])cccc2F)coc1C(=O)N(C)C	ZINC000921451030	888014756	/nfs/dbraw/zinc/01/47/56/888014756.db2.gz	JDAOHZWXZAVEHO-UHFFFAOYSA-N	-1	3	356.375	1.613	20	10		FDCDHM
Cc1ccccc1[C@H](O)CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000732830672	920198738	/nfs/dbraw/zinc/19/87/38/920198738.db2.gz	KXSZJKOKBKMFGV-MRXNPFEDSA-N	-1	3	364.423	1.536	20	10		FDCDHM
CN(C)c1ccccc1CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000769739020	929656566	/nfs/dbraw/zinc/65/65/66/929656566.db2.gz	WHWYYCMPZHHCFR-UHFFFAOYSA-N	-1	3	363.439	1.760	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H]3COCC[C@H]32)c1	ZINC000769977943	929780638	/nfs/dbraw/zinc/78/06/38/929780638.db2.gz	GFVBFACLWWKXBT-BXUZGUMPSA-N	-1	3	354.428	1.405	20	10		FDCDHM
CO[C@@H](CCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C(F)(F)F	ZINC000787467135	932301254	/nfs/dbraw/zinc/30/12/54/932301254.db2.gz	PFDOSCAAMVICCM-NSHDSACASA-N	-1	3	370.349	1.461	20	10		FDCDHM
C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)c2cccc(O)c2[O-])CCO1	ZINC000790891849	933773400	/nfs/dbraw/zinc/77/34/00/933773400.db2.gz	NCCFJBYUHPYBHV-RISCZKNCSA-N	-1	3	366.414	1.852	20	10		FDCDHM
C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CN(C(=O)c2cccc(O)c2[O-])CCO1	ZINC000790891847	933773645	/nfs/dbraw/zinc/77/36/45/933773645.db2.gz	NCCFJBYUHPYBHV-BXUZGUMPSA-N	-1	3	366.414	1.852	20	10		FDCDHM
CC(=O)Nc1ncc(S(=O)(=O)[N-]Cc2ccc(N(C)C)cc2C)s1	ZINC000805004974	938645903	/nfs/dbraw/zinc/64/59/03/938645903.db2.gz	HIYQVUFYXYTJGW-UHFFFAOYSA-N	-1	3	368.484	1.954	20	10		FDCDHM
CC1CCC(O)(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1	ZINC000856473855	971176605	/nfs/dbraw/zinc/17/66/05/971176605.db2.gz	CLJCDJZXUDTAKE-UHFFFAOYSA-N	-1	3	356.444	1.435	20	10		FDCDHM
Cc1cc(C(=O)NCC(C)(C)O)c(C)n1-c1ccc(-c2nn[n-]n2)cc1	ZINC000822167647	945968492	/nfs/dbraw/zinc/96/84/92/945968492.db2.gz	FWADXEDWUXPHEF-UHFFFAOYSA-N	-1	3	354.414	1.775	20	10		FDCDHM
CCNC(=O)CN1CCN(Cc2ccc(Br)cc2[O-])CC1	ZINC000824556565	946535249	/nfs/dbraw/zinc/53/52/49/946535249.db2.gz	YZWLISLUJDUYNF-UHFFFAOYSA-N	-1	3	356.264	1.408	20	10		FDCDHM
COCCOCCN1CCN(Cc2cccc(Br)c2[O-])CC1	ZINC000846116086	950514898	/nfs/dbraw/zinc/51/48/98/950514898.db2.gz	FDVWDVVCDOGYFD-UHFFFAOYSA-N	-1	3	373.291	1.935	20	10		FDCDHM
CC1(C)C[C@@H](O)CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1	ZINC000857528972	971792124	/nfs/dbraw/zinc/79/21/24/971792124.db2.gz	IDXQTLBHWGHGFJ-LBPRGKRZSA-N	-1	3	356.444	1.387	20	10		FDCDHM
O=C(c1cccc(O)c1[O-])N1CCC(n2nnc3ccccc3c2=O)CC1	ZINC001148218616	952652099	/nfs/dbraw/zinc/65/20/99/952652099.db2.gz	HYJXIFJLOBQUNY-UHFFFAOYSA-N	-1	3	366.377	1.680	20	10		FDCDHM
CO[C@@H]1CN(C(=O)c2cccc(O)c2[O-])C[C@@H]1NC(=O)OC(C)(C)C	ZINC001148218958	952652117	/nfs/dbraw/zinc/65/21/17/952652117.db2.gz	POQZOGOAEHOUJI-WCQYABFASA-N	-1	3	352.387	1.462	20	10		FDCDHM
O=C(Nc1ncnc2c1ncn2[C@H]1CCCO1)c1cc(O)c([O-])c(O)c1	ZINC001148579816	952757013	/nfs/dbraw/zinc/75/70/13/952757013.db2.gz	ABLCBMTZAGLUGC-LLVKDONJSA-N	-1	3	357.326	1.504	20	10		FDCDHM
Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3C(=O)c3cc(O)c([O-])c(O)c3)O2)n1	ZINC001148584023	952757842	/nfs/dbraw/zinc/75/78/42/952757842.db2.gz	LBXVWIBHAAYWHH-HONMWMINSA-N	-1	3	361.354	1.630	20	10		FDCDHM
CC(C)NS(=O)(=O)c1ccccc1NC(=O)c1cc(O)c([O-])c(O)c1	ZINC001148587393	952760126	/nfs/dbraw/zinc/76/01/26/952760126.db2.gz	IBLWQVYZTYXQIC-UHFFFAOYSA-N	-1	3	366.395	1.742	20	10		FDCDHM
Cc1cccc(C2(CNC(=O)c3cc(O)c([O-])c(O)c3)CCOCC2)n1	ZINC001148590168	952761350	/nfs/dbraw/zinc/76/13/50/952761350.db2.gz	CXLJVQGHIWTRQJ-UHFFFAOYSA-N	-1	3	358.394	1.985	20	10		FDCDHM
CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(O)c2[O-])[C@H](CO)C1	ZINC001181431528	960820541	/nfs/dbraw/zinc/82/05/41/960820541.db2.gz	SDJOTUAEPJGJSE-NSHDSACASA-N	-1	3	352.387	1.152	20	10		FDCDHM
COc1c([O-])c(CNc2ccc(N3CCNC(=O)C3)cc2)ccc1[N+](=O)[O-]	ZINC000774916690	964058014	/nfs/dbraw/zinc/05/80/14/964058014.db2.gz	VSPGBCWRTYFMET-UHFFFAOYSA-N	-1	3	372.381	1.857	20	10		FDCDHM
COc1ccc(N2CC[C@@H](NC(=O)c3ccc4c(c3)C(=O)[N-]C4=O)C2)cc1	ZINC000855231617	970226600	/nfs/dbraw/zinc/22/66/00/970226600.db2.gz	MZQCFVJMNPDQTK-CYBMUJFWSA-N	-1	3	365.389	1.588	20	10		FDCDHM
COCC1(C2CCC2)CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1	ZINC000855532930	970469694	/nfs/dbraw/zinc/46/96/94/970469694.db2.gz	XGPUYLBLBDJVNZ-UHFFFAOYSA-N	-1	3	368.455	1.652	20	10		FDCDHM
Cn1ccnc1[C@@]([O-])(C[NH2+]Cc1cc(F)cc(F)c1[O-])C(F)(F)F	ZINC000882994637	981868132	/nfs/dbraw/zinc/86/81/32/981868132.db2.gz	NNAPQXOAPCEJAU-ZDUSSCGKSA-N	-1	3	351.275	1.944	20	10		FDCDHM
CN(C)c1ccc([C@H](CNC(=O)Nc2c(C(=O)[O-])cnn2C)N(C)C)cc1	ZINC001598313833	991293097	/nfs/dbraw/zinc/29/30/97/991293097.db2.gz	ZFPBRSLUWVUEBM-HNNXBMFYSA-N	-1	3	374.445	1.609	20	10		FDCDHM
CN1CCN(C2CCN(c3ccc(/C=C\C(=O)[O-])cc3[N+](=O)[O-])CC2)CC1	ZINC001598614671	993856522	/nfs/dbraw/zinc/85/65/22/993856522.db2.gz	BEQOYBAQISLYMQ-HYXAFXHYSA-N	-1	3	374.441	1.909	20	10		FDCDHM
C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)NCc1c([O-])cccc1F)C2=O	ZINC000928710184	1001632941	/nfs/dbraw/zinc/63/29/41/1001632941.db2.gz	PPFQXKMSYAZUJH-ADLMAVQZSA-N	-1	3	363.389	1.648	20	10		FDCDHM
CO[C@@H](C)CN(C)Cc1cc(C(C)=O)cc(CN2CCOCC2)c1[O-]	ZINC000795746549	1008168062	/nfs/dbraw/zinc/16/80/62/1008168062.db2.gz	HQGKRONYLKMDGN-AWEZNQCLSA-N	-1	3	350.459	1.894	20	10		FDCDHM
Cc1ccc(C(=O)Nc2ccnn2[C@H]2CCS(=O)(=O)C2)c([O-])c1O	ZINC000271266689	674329719	/nfs/dbraw/zinc/32/97/19/674329719.db2.gz	KXBPKZUMJVCPNT-JTQLQIEISA-N	-1	3	351.384	1.215	20	10		FDCDHM
COC(=O)CCCCCCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000055184330	523761819	/nfs/dbraw/zinc/76/18/19/523761819.db2.gz	APBLXJZCPQBDKM-UHFFFAOYSA-N	-1	3	372.443	1.617	20	10		FDCDHM
CC(=O)N(C)CC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1	ZINC000158047616	524390880	/nfs/dbraw/zinc/39/08/80/524390880.db2.gz	WNMQCSGIHROFHC-HNNXBMFYSA-N	-1	3	353.850	1.605	20	10		FDCDHM
NC(=O)NC1(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)CC1	ZINC000158250009	524430952	/nfs/dbraw/zinc/43/09/52/524430952.db2.gz	YKZHNJCPHPPTJF-ZDUSSCGKSA-N	-1	3	366.849	1.327	20	10		FDCDHM
CCN(C)S(=O)(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1	ZINC000161832670	525177529	/nfs/dbraw/zinc/17/75/29/525177529.db2.gz	GUEUMFUDRHNNIY-AWEZNQCLSA-N	-1	3	361.895	1.796	20	10		FDCDHM
O=[N+]([O-])c1ccc([O-])c(CNCCS(=O)(=O)NCc2ccccc2)c1	ZINC000101595232	525237803	/nfs/dbraw/zinc/23/78/03/525237803.db2.gz	XCZIRMUTDDWNJC-UHFFFAOYSA-N	-1	3	365.411	1.510	20	10		FDCDHM
CCCOc1ccc(CN2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c([O-])c1	ZINC000120427150	526058900	/nfs/dbraw/zinc/05/89/00/526058900.db2.gz	KEEVXOSDMYGYHD-MRXNPFEDSA-N	-1	3	368.499	1.486	20	10		FDCDHM
C[C@H](NC(N)=O)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1	ZINC000134262769	526140360	/nfs/dbraw/zinc/14/03/60/526140360.db2.gz	WBGSWKJDPKVSAG-GXFFZTMASA-N	-1	3	354.838	1.183	20	10		FDCDHM
COc1cc(Cl)cc(CN2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c1[O-]	ZINC000184675342	536175342	/nfs/dbraw/zinc/17/53/42/536175342.db2.gz	QSYWPZZEDMZXIT-CQSZACIVSA-N	-1	3	374.890	1.359	20	10		FDCDHM
CC[C@@H](C(=O)OC)C(=O)N(CC(=O)OC)Cc1cc(Cl)ccc1[O-]	ZINC000298746387	537295164	/nfs/dbraw/zinc/29/51/64/537295164.db2.gz	YGMGTIIOSKHEGH-GFCCVEGCSA-N	-1	3	357.790	1.746	20	10		FDCDHM
CN(C[C@@H]1C[C@H](F)CN1Cc1ccnn1C)C(=O)c1cccc(O)c1[O-]	ZINC000279612372	537351869	/nfs/dbraw/zinc/35/18/69/537351869.db2.gz	OBHIRXVYPKFPBG-JSGCOSHPSA-N	-1	3	362.405	1.516	20	10		FDCDHM
COC(=O)Cn1cc(CN(Cc2ccccc2[O-])C[C@H]2CCCO2)nn1	ZINC000294591343	537707796	/nfs/dbraw/zinc/70/77/96/537707796.db2.gz	SAGFRLQFZICPSG-MRXNPFEDSA-N	-1	3	360.414	1.338	20	10		FDCDHM
CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)OCCN2C(=O)c1cccc(O)c1[O-]	ZINC000367275156	537952446	/nfs/dbraw/zinc/95/24/46/537952446.db2.gz	RYLGIMVXUOIQAK-OCCSQVGLSA-N	-1	3	364.398	1.558	20	10		FDCDHM
O=C(NCc1ccccc1O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-]	ZINC000368540308	537983051	/nfs/dbraw/zinc/98/30/51/537983051.db2.gz	SHPZFFITXGLMEP-UHFFFAOYSA-N	-1	3	355.325	1.510	20	10		FDCDHM
O=C(NCc1ccccc1O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O	ZINC000368540308	537983060	/nfs/dbraw/zinc/98/30/60/537983060.db2.gz	SHPZFFITXGLMEP-UHFFFAOYSA-N	-1	3	355.325	1.510	20	10		FDCDHM
COc1cc(Br)cc(CN2CC[C@H]3OCC(=O)N[C@@H]3C2)c1[O-]	ZINC000370716643	538091319	/nfs/dbraw/zinc/09/13/19/538091319.db2.gz	NKNDUFTYZISEGF-VXGBXAGGSA-N	-1	3	371.231	1.253	20	10		FDCDHM
COc1ccc(O)c(CNC(=O)COc2ccccc2-c2nnn[n-]2)c1	ZINC000737105876	598921673	/nfs/dbraw/zinc/92/16/73/598921673.db2.gz	LAAXGOVVRPKJCY-UHFFFAOYSA-N	-1	3	355.354	1.276	20	10		FDCDHM
COc1ccc(O)c(CNC(=O)COc2ccccc2-c2nn[n-]n2)c1	ZINC000737105876	598921676	/nfs/dbraw/zinc/92/16/76/598921676.db2.gz	LAAXGOVVRPKJCY-UHFFFAOYSA-N	-1	3	355.354	1.276	20	10		FDCDHM
CN(CC(=O)[O-])C(=O)CC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1	ZINC000737403394	600312978	/nfs/dbraw/zinc/31/29/78/600312978.db2.gz	YXLWFZMBMVIFQS-HNNXBMFYSA-N	-1	3	350.415	1.306	20	10		FDCDHM
CN(CC(=O)[O-])C(=O)CC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1	ZINC000737403394	600312981	/nfs/dbraw/zinc/31/29/81/600312981.db2.gz	YXLWFZMBMVIFQS-HNNXBMFYSA-N	-1	3	350.415	1.306	20	10		FDCDHM
CN(Cc1ccccc1O)S(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1	ZINC000825981830	607626045	/nfs/dbraw/zinc/62/60/45/607626045.db2.gz	YUWJVSKMINIZKV-UHFFFAOYSA-N	-1	3	363.374	1.532	20	10		FDCDHM
Cc1cc(C(=O)NC[C@@H](O)C2CC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1	ZINC000822177417	607111579	/nfs/dbraw/zinc/11/15/79/607111579.db2.gz	YSQOZDBIGLVDLN-QGZVFWFLSA-N	-1	3	366.425	1.775	20	10		FDCDHM
Cc1cc(C(=O)N[C@H]2CCOC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1	ZINC000826259318	607774683	/nfs/dbraw/zinc/77/46/83/607774683.db2.gz	OIIUOZBACHIETL-AWEZNQCLSA-N	-1	3	352.398	1.793	20	10		FDCDHM
CNC(=O)c1cncc(C=CC(=O)N(C)c2ccccc2-c2nnn[n-]2)c1	ZINC000826073005	607790335	/nfs/dbraw/zinc/79/03/35/607790335.db2.gz	ACXVUOUUVABQKH-FPLPWBNLSA-N	-1	3	363.381	1.298	20	10		FDCDHM
CNC(=O)c1cncc(C=CC(=O)N(C)c2ccccc2-c2nn[n-]n2)c1	ZINC000826073005	607790336	/nfs/dbraw/zinc/79/03/36/607790336.db2.gz	ACXVUOUUVABQKH-FPLPWBNLSA-N	-1	3	363.381	1.298	20	10		FDCDHM
Fc1cc(CNc2cnccc2-c2nnn[n-]2)ccc1N1CCOCC1	ZINC000826372360	608775268	/nfs/dbraw/zinc/77/52/68/608775268.db2.gz	SPTUYWCKPNLHTP-UHFFFAOYSA-N	-1	3	355.377	1.850	20	10		FDCDHM
Fc1cc(CNc2cnccc2-c2nn[n-]n2)ccc1N1CCOCC1	ZINC000826372360	608775270	/nfs/dbraw/zinc/77/52/70/608775270.db2.gz	SPTUYWCKPNLHTP-UHFFFAOYSA-N	-1	3	355.377	1.850	20	10		FDCDHM
COc1ccc(N2CCN(c3nccc(C)c3-c3nnn[n-]3)CC2)cc1	ZINC000826209441	609520104	/nfs/dbraw/zinc/52/01/04/609520104.db2.gz	BVYINZZRYUSIPZ-UHFFFAOYSA-N	-1	3	351.414	1.905	20	10		FDCDHM
COc1ccc(N2CCN(c3nccc(C)c3-c3nn[n-]n3)CC2)cc1	ZINC000826209441	609520105	/nfs/dbraw/zinc/52/01/05/609520105.db2.gz	BVYINZZRYUSIPZ-UHFFFAOYSA-N	-1	3	351.414	1.905	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)c1	ZINC000274181844	674586085	/nfs/dbraw/zinc/58/60/85/674586085.db2.gz	DIRRJTLFKQDCGF-IAQYHMDHSA-N	-1	3	354.428	1.451	20	10		FDCDHM
C[N-]S(=O)(=O)c1cc(C(=O)N(C)Cc2ccccc2O)ccc1F	ZINC000084385664	671476498	/nfs/dbraw/zinc/47/64/98/671476498.db2.gz	JDOFFKIMFUIVKK-UHFFFAOYSA-N	-1	3	352.387	1.712	20	10		FDCDHM
CCN(C1CCN(Cc2cc(F)cc(C(C)=O)c2[O-])CC1)S(C)(=O)=O	ZINC000267102857	673250399	/nfs/dbraw/zinc/25/03/99/673250399.db2.gz	YJGDNROMUMTPIQ-UHFFFAOYSA-N	-1	3	372.462	1.980	20	10		FDCDHM
CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)c2cccc(O)c2[O-])CCO1	ZINC000280545924	675434434	/nfs/dbraw/zinc/43/44/34/675434434.db2.gz	SXPLOTIVWMZYKW-LLVKDONJSA-N	-1	3	352.387	1.464	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCCO[C@@H]2CCCCO2)c1	ZINC000280722303	675451947	/nfs/dbraw/zinc/45/19/47/675451947.db2.gz	HTROFZCIRIRAJF-OAHLLOKOSA-N	-1	3	372.443	1.427	20	10		FDCDHM
CC1(C)[C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])[C@H]2CCCO[C@@H]21	ZINC000374132733	678072843	/nfs/dbraw/zinc/07/28/43/678072843.db2.gz	VYFUYQPLRJWAJP-DFBGVHRSSA-N	-1	3	368.455	1.697	20	10		FDCDHM
C[C@H](O)c1cn(C2CN(Cc3cc(Br)ccc3[O-])C2)nn1	ZINC000374825408	678092918	/nfs/dbraw/zinc/09/29/18/678092918.db2.gz	XZXWMBNWHGEOQR-VIFPVBQESA-N	-1	3	353.220	1.856	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC(Cc3ccoc3)C2)c1	ZINC000890571974	769866525	/nfs/dbraw/zinc/86/65/25/769866525.db2.gz	OFLPEIRXQLVSOD-UHFFFAOYSA-N	-1	3	350.396	1.671	20	10		FDCDHM
C[N-]S(=O)(=O)c1cc(C(=O)NCc2cc(C)ccc2O)ccc1F	ZINC001167293395	772332735	/nfs/dbraw/zinc/33/27/35/772332735.db2.gz	AVSKSPMSJLYVMF-UHFFFAOYSA-N	-1	3	352.387	1.678	20	10		FDCDHM
CN(C)c1ccc([C@@H](CNC(=O)CSc2n[nH]c(=O)[n-]2)N(C)C)cc1	ZINC000891247475	774093939	/nfs/dbraw/zinc/09/39/39/774093939.db2.gz	HPEXKKFTSTVGRJ-CYBMUJFWSA-N	-1	3	364.475	1.088	20	10		FDCDHM
COC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cccc(O)c1[O-]	ZINC000891351010	775090217	/nfs/dbraw/zinc/09/02/17/775090217.db2.gz	QJVWLSGVXAHUNA-GFCCVEGCSA-N	-1	3	366.414	1.806	20	10		FDCDHM
COC(=O)c1cn([C@@H]2CCCN(Cc3cc(F)cc(F)c3[O-])C2)nn1	ZINC000894469361	818099954	/nfs/dbraw/zinc/09/99/54/818099954.db2.gz	MGGGNDGSLVVWRA-GFCCVEGCSA-N	-1	3	352.341	1.886	20	10		FDCDHM
CS(=O)(=O)N=S1(=O)CCN(Cc2ccc3ccccc3c2[O-])CC1	ZINC000894829242	818628134	/nfs/dbraw/zinc/62/81/34/818628134.db2.gz	PCNAHYXLNVOLFI-UHFFFAOYSA-N	-1	3	368.480	1.789	20	10		FDCDHM
Nc1ccc(CCNC(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cc1	ZINC000841956448	840216654	/nfs/dbraw/zinc/21/66/54/840216654.db2.gz	FBQQUJSNRZJDFC-ZDUSSCGKSA-N	-1	3	372.391	1.911	20	10		FDCDHM
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)cn1	ZINC000897983704	840675225	/nfs/dbraw/zinc/67/52/25/840675225.db2.gz	KGFVZGFRLRPYLU-CYBMUJFWSA-N	-1	3	365.441	1.997	20	10		FDCDHM
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)cn1	ZINC000897983704	840675230	/nfs/dbraw/zinc/67/52/30/840675230.db2.gz	KGFVZGFRLRPYLU-CYBMUJFWSA-N	-1	3	365.441	1.997	20	10		FDCDHM
Cc1nocc1S(=O)(=O)[N-]C[C@@H](c1ccc(N(C)C)cc1)N(C)C	ZINC000908459280	855443914	/nfs/dbraw/zinc/44/39/14/855443914.db2.gz	DWKZZRUYYWVVJV-HNNXBMFYSA-N	-1	3	352.460	1.630	20	10		FDCDHM
COC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccc(O)cc2O)c(F)c1	ZINC001212222638	882966735	/nfs/dbraw/zinc/96/67/35/882966735.db2.gz	IHJGRTDUIHSPII-UHFFFAOYSA-N	-1	3	355.343	1.502	20	10		FDCDHM
NC(=O)[C@@H]1CCCN(c2ccc(CN=c3ncnc4[nH][n-]cc3-4)cc2)C1	ZINC000917391342	883384871	/nfs/dbraw/zinc/38/48/71/883384871.db2.gz	RZZVDWCPGRTZNY-CYBMUJFWSA-N	-1	3	351.414	1.040	20	10		FDCDHM
CN(C)S(=O)(=O)c1cc(NC(=O)c2cccc(O)c2[O-])ccc1F	ZINC000804165938	886640135	/nfs/dbraw/zinc/64/01/35/886640135.db2.gz	GRBYPJUDOUMOIS-UHFFFAOYSA-N	-1	3	354.359	1.740	20	10		FDCDHM
Cn1nc(C(F)(F)F)cc1S(=O)(=O)NCc1c([O-])cccc1F	ZINC000921450522	888014346	/nfs/dbraw/zinc/01/43/46/888014346.db2.gz	ADQQYJJRTZSQQP-UHFFFAOYSA-N	-1	3	353.297	1.762	20	10		FDCDHM
Cc1nc(C)c(CC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c(=O)[n-]1	ZINC000068530709	889302197	/nfs/dbraw/zinc/30/21/97/889302197.db2.gz	HRESREPQOBNWIQ-CYBMUJFWSA-N	-1	3	370.453	1.643	20	10		FDCDHM
C[C@@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])CC1(C)OCCO1	ZINC000743487995	926376568	/nfs/dbraw/zinc/37/65/68/926376568.db2.gz	BHCHWTNWFQWUSY-LLVKDONJSA-N	-1	3	372.443	1.283	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCc2nccn2C(F)F)c1	ZINC000744372730	926649293	/nfs/dbraw/zinc/64/92/93/926649293.db2.gz	IKUNCVNCISOIAF-UHFFFAOYSA-N	-1	3	360.342	1.285	20	10		FDCDHM
O=C(Nc1cc(N2CCCS2(=O)=O)ccc1O)c1cccc(O)c1[O-]	ZINC000790546369	933595322	/nfs/dbraw/zinc/59/53/22/933595322.db2.gz	IPSZORJKWVJTNQ-UHFFFAOYSA-N	-1	3	364.379	1.596	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCc2nccc(C(F)F)n2)c1	ZINC000807891459	940488362	/nfs/dbraw/zinc/48/83/62/940488362.db2.gz	QJBSANGTECEXFJ-UHFFFAOYSA-N	-1	3	372.353	1.421	20	10		FDCDHM
CCOC(=O)C(CC)(CC)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000817084197	942537915	/nfs/dbraw/zinc/53/79/15/942537915.db2.gz	TUJPJBPJZMRIFG-UHFFFAOYSA-N	-1	3	372.443	1.615	20	10		FDCDHM
CCN1C(=O)[C@H]2CN(Cc3ccc(Br)cc3[O-])CCN2C1=O	ZINC000824920200	946875681	/nfs/dbraw/zinc/87/56/81/946875681.db2.gz	HIWZSOFVOQUGQQ-GFCCVEGCSA-N	-1	3	368.231	1.623	20	10		FDCDHM
C[C@H]([C@@H]1Cc2ccccc2O1)N(C)Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1	ZINC000846255678	950803792	/nfs/dbraw/zinc/80/37/92/950803792.db2.gz	LGIILESMGPZOOT-BZNIZROVSA-N	-1	3	368.393	1.957	20	10		FDCDHM
O=C(c1cccc(O)c1[O-])N1CCC[C@@]2(CCN(c3cncnc3)C2=O)C1	ZINC001148214080	952648189	/nfs/dbraw/zinc/64/81/89/952648189.db2.gz	ODJUJOLHCYWBMV-LJQANCHMSA-N	-1	3	368.393	1.547	20	10		FDCDHM
O=C(c1cccc(O)c1[O-])N1CC[C@H]2O[C@@H](C(=O)N3CCCO3)CC[C@H]21	ZINC001148214447	952648791	/nfs/dbraw/zinc/64/87/91/952648791.db2.gz	SEXRUBPBTLBBTE-BPLDGKMQSA-N	-1	3	362.382	1.024	20	10		FDCDHM
Cn1cc([C@@H]2COC3(C2)CCN(C(=O)c2cc(O)c([O-])c(O)c2)CC3)cn1	ZINC001148583126	952757574	/nfs/dbraw/zinc/75/75/74/952757574.db2.gz	UNRIYCJPCAALDX-ZDUSSCGKSA-N	-1	3	373.409	1.716	20	10		FDCDHM
C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)c1cc(O)c([O-])c(O)c1	ZINC001148587136	952760139	/nfs/dbraw/zinc/76/01/39/952760139.db2.gz	DNQQWLWKQAIDJB-GFCCVEGCSA-N	-1	3	356.378	1.790	20	10		FDCDHM
O=C(NCc1ccc(N2CCCNC2=O)cc1)c1cc(O)c([O-])c(O)c1	ZINC001148590175	952761291	/nfs/dbraw/zinc/76/12/91/952761291.db2.gz	DDMRKXOMKMFDNA-UHFFFAOYSA-N	-1	3	357.366	1.653	20	10		FDCDHM
C[C@H](CN(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C(=O)[O-]	ZINC001589023350	955491643	/nfs/dbraw/zinc/49/16/43/955491643.db2.gz	HLGRPULHXNYFRH-CZUORRHYSA-N	-1	3	350.463	1.717	20	10		FDCDHM
C[C@]1(O)C=C[C@@H](O)C(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])=C1	ZINC001183541065	963097659	/nfs/dbraw/zinc/09/76/59/963097659.db2.gz	ASMKJOOLIOOWIO-KDOFPFPSSA-N	-1	3	360.797	1.818	20	10		FDCDHM
O=C(c1cccc(O)c1[O-])N1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1	ZINC000855322869	970286569	/nfs/dbraw/zinc/28/65/69/970286569.db2.gz	LBBMPXDEYYUCTD-GASCZTMLSA-N	-1	3	366.373	1.355	20	10		FDCDHM
C[C@H](NC(=O)c1cccc(O)c1[O-])c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000776341040	975961776	/nfs/dbraw/zinc/96/17/76/975961776.db2.gz	MTQVPRBWUWJGLA-NSHDSACASA-N	-1	3	364.423	1.839	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC[C@H]2CCc3cccnc32)c1	ZINC000857969210	981772017	/nfs/dbraw/zinc/77/20/17/981772017.db2.gz	VVMXBCOGURMXJZ-GFCCVEGCSA-N	-1	3	361.423	1.619	20	10		FDCDHM
CN(C)C(=O)CN1CCN(Cc2c([O-])cccc2Br)CC1	ZINC000862212734	984251979	/nfs/dbraw/zinc/25/19/79/984251979.db2.gz	KWLRNJXODXBSNP-UHFFFAOYSA-N	-1	3	356.264	1.361	20	10		FDCDHM
CCOC(=O)c1cnn2c1[nH]c(CN1CCCC[C@H]1CC(=O)[O-])cc2=O	ZINC001596744226	985059474	/nfs/dbraw/zinc/05/94/74/985059474.db2.gz	OEDSXYYLCAOPAA-LBPRGKRZSA-N	-1	3	362.386	1.441	20	10		FDCDHM
CCOC(=O)c1cnn2c1[nH]c(CN1CCCC[C@@H]1CC(=O)[O-])cc2=O	ZINC001596744225	985060191	/nfs/dbraw/zinc/06/01/91/985060191.db2.gz	OEDSXYYLCAOPAA-GFCCVEGCSA-N	-1	3	362.386	1.441	20	10		FDCDHM
Cc1nc(S(=O)(=O)N2CCN(Cc3cc(F)ccc3[O-])CC2)cs1	ZINC000779009037	1007129026	/nfs/dbraw/zinc/12/90/26/1007129026.db2.gz	ILMYTRZZRLADJC-UHFFFAOYSA-N	-1	3	371.459	1.803	20	10		FDCDHM
CNC(=O)NC[C@H]1CN(Cc2c([O-])ccc3ccc(OC)cc32)CCO1	ZINC000530106565	539886420	/nfs/dbraw/zinc/88/64/20/539886420.db2.gz	XYOBUBYWRAXUCE-HNNXBMFYSA-N	-1	3	359.426	1.684	20	10		FDCDHM
CC(C)c1nnc([C@@H](C)NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])[nH]1	ZINC000270956992	674291595	/nfs/dbraw/zinc/29/15/95/674291595.db2.gz	QNQANJXMLBHFTL-SECBINFHSA-N	-1	3	367.431	1.496	20	10		FDCDHM
CCCN(Cc1ccccc1[O-])[C@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1	ZINC000076074039	523016571	/nfs/dbraw/zinc/01/65/71/523016571.db2.gz	SEWOFPRFQZSIGU-UKRRQHHQSA-N	-1	3	354.472	1.296	20	10		FDCDHM
CN(C)[C@@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccco1	ZINC000055109109	523749606	/nfs/dbraw/zinc/74/96/06/523749606.db2.gz	NPRUAWJSLRMXPQ-ZDUSSCGKSA-N	-1	3	367.427	1.389	20	10		FDCDHM
CCN(CC(=O)NCC(=O)OC)Cc1cc(Br)ccc1[O-]	ZINC000174423677	524572581	/nfs/dbraw/zinc/57/25/81/524572581.db2.gz	UYRWBXPLSMRTLZ-UHFFFAOYSA-N	-1	3	359.220	1.266	20	10		FDCDHM
CC(=O)c1cc(F)cc(CN2CCN([C@H]3CCS(=O)(=O)C3)CC2)c1[O-]	ZINC000175563920	524978820	/nfs/dbraw/zinc/97/88/20/524978820.db2.gz	MHIWMQHFMKWAEK-HNNXBMFYSA-N	-1	3	370.446	1.039	20	10		FDCDHM
CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@@H]1CC(=O)N(C)C1	ZINC000175847148	525016387	/nfs/dbraw/zinc/01/63/87/525016387.db2.gz	UZLGKGVUQQGQQG-LLVKDONJSA-N	-1	3	355.232	1.982	20	10		FDCDHM
CCN(Cc1cc(Br)ccc1[O-])C(=O)c1ccc(=O)n(C)n1	ZINC000175845162	525017750	/nfs/dbraw/zinc/01/77/50/525017750.db2.gz	HJPAPOZUYHEWMZ-UHFFFAOYSA-N	-1	3	366.215	1.911	20	10		FDCDHM
O=S(=O)(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1c[nH]cn1	ZINC000161833419	525177194	/nfs/dbraw/zinc/17/71/94/525177194.db2.gz	RVKKQYUWVDFFQV-ZDUSSCGKSA-N	-1	3	370.862	1.712	20	10		FDCDHM
CCCOc1ccc(CN2CCN(CC(=O)N3CCCC3)CC2)c([O-])c1	ZINC000119648271	525817136	/nfs/dbraw/zinc/81/71/36/525817136.db2.gz	WUHCDHKEJOMCJB-UHFFFAOYSA-N	-1	3	361.486	1.921	20	10		FDCDHM
O=C(CN1CCN(Cc2c([O-])cccc2Cl)CC1)N1CCOCC1	ZINC000119971834	525922930	/nfs/dbraw/zinc/92/29/30/525922930.db2.gz	JVMVPEKXJFLFTC-UHFFFAOYSA-N	-1	3	353.850	1.022	20	10		FDCDHM
CCCOc1ccc(CN2CCN([C@H]3CCS(=O)(=O)C3)CC2)c([O-])c1	ZINC000120427312	526058247	/nfs/dbraw/zinc/05/82/47/526058247.db2.gz	KEEVXOSDMYGYHD-INIZCTEOSA-N	-1	3	368.499	1.486	20	10		FDCDHM
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1ccc(=O)[nH]n1	ZINC000134262712	526140688	/nfs/dbraw/zinc/14/06/88/526140688.db2.gz	CDGIQWQGOQSHRJ-ZDUSSCGKSA-N	-1	3	362.817	1.523	20	10		FDCDHM
Cc1ccc(C(=O)NC[C@H]2C[C@H](O)CN2Cc2ccccc2)c([O-])c1O	ZINC000182945286	535891539	/nfs/dbraw/zinc/89/15/39/535891539.db2.gz	ISMXGUSNSQWCBP-CVEARBPZSA-N	-1	3	356.422	1.771	20	10		FDCDHM
Cn1ccc(N2CC[C@H](NCc3cc(Br)ccc3[O-])C2=O)n1	ZINC000360094021	537578778	/nfs/dbraw/zinc/57/87/78/537578778.db2.gz	WUFYXUSPTLLVSY-LBPRGKRZSA-N	-1	3	365.231	1.783	20	10		FDCDHM
CC(C)(C)C(=O)NCCN1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O	ZINC000277919281	537624824	/nfs/dbraw/zinc/62/48/24/537624824.db2.gz	QDMVGBYYOGAHNA-UHFFFAOYSA-N	-1	3	367.833	1.972	20	10		FDCDHM
CN(C)c1ccc(CNC(=O)N2CCC[C@@H]2C[C@]2(C)NC(=O)[N-]C2=O)cc1	ZINC000285617220	537737943	/nfs/dbraw/zinc/73/79/43/537737943.db2.gz	KDEBDWDUYDCAEB-BEFAXECRSA-N	-1	3	373.457	1.415	20	10		FDCDHM
COC(=O)CNC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C	ZINC000736931663	598610155	/nfs/dbraw/zinc/61/01/55/598610155.db2.gz	SBXXYKKEBVQDPH-UHFFFAOYSA-N	-1	3	354.370	1.177	20	10		FDCDHM
COc1ccc(N2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)cc1	ZINC000826209916	607682918	/nfs/dbraw/zinc/68/29/18/607682918.db2.gz	WGLKBGBRYOUDMU-UHFFFAOYSA-N	-1	3	353.386	1.166	20	10		FDCDHM
COc1ccc(N2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)cc1	ZINC000826209916	607682920	/nfs/dbraw/zinc/68/29/20/607682920.db2.gz	WGLKBGBRYOUDMU-UHFFFAOYSA-N	-1	3	353.386	1.166	20	10		FDCDHM
CCOC(=O)[C@@](C)(O)CN(CC(=O)OC)Cc1cc(Cl)ccc1[O-]	ZINC000274663709	674594689	/nfs/dbraw/zinc/59/46/89/674594689.db2.gz	QLCPYKKOTIMCJM-INIZCTEOSA-N	-1	3	359.806	1.335	20	10		FDCDHM
CCC(=O)[C@H]1CCCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000274737259	674595707	/nfs/dbraw/zinc/59/57/07/674595707.db2.gz	CINFZCQBNQPPAU-CYBMUJFWSA-N	-1	3	354.428	1.738	20	10		FDCDHM
CC(C)[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ncon1	ZINC000287124132	675912568	/nfs/dbraw/zinc/91/25/68/675912568.db2.gz	PVHFDAAFZRLFFA-GFCCVEGCSA-N	-1	3	354.388	1.274	20	10		FDCDHM
COCCCNC(=O)[C@@H](C)N1CCN(Cc2c([O-])cccc2Cl)CC1	ZINC000131496782	671804345	/nfs/dbraw/zinc/80/43/45/671804345.db2.gz	WYWQONKWDDYPHE-CQSZACIVSA-N	-1	3	369.893	1.704	20	10		FDCDHM
O=C(c1cc(S(=O)(=O)[N-]c2ccc(O)cc2F)c[nH]1)N1CCCC1	ZINC000181625653	672199878	/nfs/dbraw/zinc/19/98/78/672199878.db2.gz	RGVWVBVJVAYLKA-UHFFFAOYSA-N	-1	3	353.375	1.896	20	10		FDCDHM
O=C1NC(=O)[C@@]2(CCCN(Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])C2)N1	ZINC000279349871	675280596	/nfs/dbraw/zinc/28/05/96/675280596.db2.gz	GEWZBMRERXCGLV-AWEZNQCLSA-N	-1	3	354.750	1.128	20	10		FDCDHM
Cc1cc(C)c(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c(=O)[nH]1	ZINC000299102309	676516943	/nfs/dbraw/zinc/51/69/43/676516943.db2.gz	SPIGZZLCJTYUQZ-UHFFFAOYSA-N	-1	3	365.411	1.411	20	10		FDCDHM
CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000370378865	677570897	/nfs/dbraw/zinc/57/08/97/677570897.db2.gz	AIPAAKXHWJIBNP-DYZFCQSDSA-N	-1	3	366.439	1.259	20	10		FDCDHM
COc1cccc(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])n1	ZINC000748099761	771466171	/nfs/dbraw/zinc/46/61/71/771466171.db2.gz	UUOOSZDFTSMQQL-UHFFFAOYSA-N	-1	3	351.384	1.097	20	10		FDCDHM
CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)cc2F)cc1	ZINC000780838234	771668688	/nfs/dbraw/zinc/66/86/88/771668688.db2.gz	RQTPOXTXLQVAAN-UHFFFAOYSA-N	-1	3	360.388	1.240	20	10		FDCDHM
CC1(c2nnc(-c3cccnc3)o2)CN(C(=O)c2cccc(O)c2[O-])C1	ZINC001167420590	774539023	/nfs/dbraw/zinc/53/90/23/774539023.db2.gz	MJDYVMKAZUZCJD-UHFFFAOYSA-N	-1	3	352.350	1.957	20	10		FDCDHM
COc1ccc(CN2CCCN(C(=O)c3cccc(O)c3[O-])CC2=O)cc1	ZINC000280591461	811865238	/nfs/dbraw/zinc/86/52/38/811865238.db2.gz	XMBDLVRJCJHPIS-UHFFFAOYSA-N	-1	3	370.405	1.981	20	10		FDCDHM
O=S(=O)(NC[C@@H]1CCCN(Cc2cc(F)cc(F)c2[O-])C1)C1CC1	ZINC000894785540	818448523	/nfs/dbraw/zinc/44/85/23/818448523.db2.gz	VWJHHVWZIMBFKK-NSHDSACASA-N	-1	3	360.426	1.964	20	10		FDCDHM
NS(=O)(=O)C[C@@H]1CCN(Cc2cc(Br)cc(F)c2[O-])C1	ZINC000897052980	826831012	/nfs/dbraw/zinc/83/10/12/826831012.db2.gz	PHXRTRGPIIPPEO-MRVPVSSYSA-N	-1	3	367.240	1.404	20	10		FDCDHM
CC(C)(CNC(=O)NCc1c([O-])cccc1F)[C@H]1COCC12OCCO2	ZINC000922846939	879488002	/nfs/dbraw/zinc/48/80/02/879488002.db2.gz	HOUYYDREULQXLL-OAHLLOKOSA-N	-1	3	368.405	1.746	20	10		FDCDHM
Cn1cc(N2CCC[C@@H](NC(=O)NCc3c([O-])cccc3F)C2=O)cn1	ZINC000920347284	886879183	/nfs/dbraw/zinc/87/91/83/886879183.db2.gz	ZJRJHDAPNFWKOF-CQSZACIVSA-N	-1	3	361.377	1.260	20	10		FDCDHM
C[C@H]1C[C@@H](NC(=O)NCc2c([O-])cccc2F)C(=O)N1c1cnn(C)c1	ZINC000920903080	887315173	/nfs/dbraw/zinc/31/51/73/887315173.db2.gz	XAQXLPLOUCMYPE-IINYFYTJSA-N	-1	3	361.377	1.258	20	10		FDCDHM
Cn1ncc(C(F)(F)F)c1S(=O)(=O)NCc1c([O-])cccc1F	ZINC000921451237	888015713	/nfs/dbraw/zinc/01/57/13/888015713.db2.gz	MINYOIFFFJXXSE-UHFFFAOYSA-N	-1	3	353.297	1.762	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCCOC2CCOCC2)c1	ZINC000743569214	926396933	/nfs/dbraw/zinc/39/69/33/926396933.db2.gz	MCISXHHJKAAXPX-UHFFFAOYSA-N	-1	3	372.443	1.079	20	10		FDCDHM
Cc1ccccc1[C@@H](CO)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000771225334	930523605	/nfs/dbraw/zinc/52/36/05/930523605.db2.gz	WPAITAYEUGWBMK-OAHLLOKOSA-N	-1	3	364.423	1.536	20	10		FDCDHM
CN1CCN(C(=O)c2cccc(O)c2[O-])[C@@H](CNC(=O)OC(C)(C)C)C1	ZINC000790897440	933775398	/nfs/dbraw/zinc/77/53/98/933775398.db2.gz	WVHDBOYAEITOAA-LBPRGKRZSA-N	-1	3	365.430	1.379	20	10		FDCDHM
O=S(=O)(Cc1ccon1)NCCNCc1c([O-])ccc(Cl)c1F	ZINC000790974964	933823514	/nfs/dbraw/zinc/82/35/14/933823514.db2.gz	XFFVJRRQKIXOJF-UHFFFAOYSA-N	-1	3	363.798	1.382	20	10		FDCDHM
COc1ccc(CNC(=O)CCNC(=O)c2ccc(C)cc2[O-])c(O)c1	ZINC000794376917	938395090	/nfs/dbraw/zinc/39/50/90/938395090.db2.gz	MEMWFKFFZGWGPS-UHFFFAOYSA-N	-1	3	358.394	1.851	20	10		FDCDHM
CN(C)S(=O)(=O)N1CCCN(Cc2cc(Cl)c(F)cc2[O-])CC1	ZINC000816615868	942278681	/nfs/dbraw/zinc/27/86/81/942278681.db2.gz	HUQCZQTYCYGTOJ-UHFFFAOYSA-N	-1	3	365.858	1.499	20	10		FDCDHM
CNC(=O)c1cc(O[C@H]2CCCN(C(=O)c3cccc(O)c3[O-])C2)ccn1	ZINC000846652860	951422005	/nfs/dbraw/zinc/42/20/05/951422005.db2.gz	IQFQEFOGZUPUFX-ZDUSSCGKSA-N	-1	3	371.393	1.536	20	10		FDCDHM
CCN1C(=O)[C@]2(CC[C@@H]3CN(C(=O)c4cccc(O)c4[O-])C[C@@H]32)N=C1C	ZINC001148214105	952648426	/nfs/dbraw/zinc/64/84/26/952648426.db2.gz	OKBXZKDLQHLXCQ-SPKLELGKSA-N	-1	3	357.410	1.599	20	10		FDCDHM
O=C(c1cc(O)c([O-])c(O)c1)N1CCc2onc(Cn3ccnc3)c2C1	ZINC001148581824	952757251	/nfs/dbraw/zinc/75/72/51/952757251.db2.gz	BQPHBARPOUFMDZ-UHFFFAOYSA-N	-1	3	356.338	1.235	20	10		FDCDHM
CN(C)S(=O)(=O)C[C@H](NCc1cc(Cl)ccc1[O-])C(F)(F)F	ZINC000796457685	1013512258	/nfs/dbraw/zinc/51/22/58/1013512258.db2.gz	FZUDVNHWWDGTFF-NSHDSACASA-N	-1	3	360.785	1.958	20	10		FDCDHM
CC[N@H+](Cc1cc(Br)ccc1[O-])[C@H]1CCN(CC(=O)[O-])C1=O	ZINC000852726460	967554577	/nfs/dbraw/zinc/55/45/77/967554577.db2.gz	PFNBOCJOKBTBDG-LBPRGKRZSA-N	-1	3	371.231	1.662	20	10		FDCDHM
CC[N@@H+](Cc1cc(Br)ccc1[O-])[C@H]1CCN(CC(=O)[O-])C1=O	ZINC000852726460	967554585	/nfs/dbraw/zinc/55/45/85/967554585.db2.gz	PFNBOCJOKBTBDG-LBPRGKRZSA-N	-1	3	371.231	1.662	20	10		FDCDHM
C[C@@H]1CCN(Cc2cc3c(cc2O)OC[C@@H]3O)C[C@@H]1[N-]C(=O)C(F)(F)F	ZINC000853622556	968202444	/nfs/dbraw/zinc/20/24/44/968202444.db2.gz	IDZJOFFIGCORQF-LQJRIPTKSA-N	-1	3	374.359	1.707	20	10		FDCDHM
Cn1c(=O)sc2cc(S(=O)(=O)NCc3c([O-])cccc3F)ccc21	ZINC001195136023	970713587	/nfs/dbraw/zinc/71/35/87/970713587.db2.gz	GVJDLSVXJRVDDJ-UHFFFAOYSA-N	-1	3	368.411	1.923	20	10		FDCDHM
O=c1[nH]cc(S(=O)(=O)[N-]Cc2ccc(N3CCOCC3)c(F)c2)s1	ZINC000866543457	975769267	/nfs/dbraw/zinc/76/92/67/975769267.db2.gz	QZEKJXBGVOTVJV-UHFFFAOYSA-N	-1	3	373.431	1.303	20	10		FDCDHM
C[C@H]([N-]S(=O)(=O)N=S(C)(C)=O)c1ccc(N2CCOCC2)cc1	ZINC000866606266	975829548	/nfs/dbraw/zinc/82/95/48/975829548.db2.gz	UBVQSQWETVZCHU-LBPRGKRZSA-N	-1	3	361.489	1.146	20	10		FDCDHM
Cc1cc(C(=O)N2CC(CCO)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1	ZINC000826258000	980545676	/nfs/dbraw/zinc/54/56/76/980545676.db2.gz	WJEQXNPQYWFODV-UHFFFAOYSA-N	-1	3	366.425	1.729	20	10		FDCDHM
O=C(CN1CCN(Cc2c([O-])cccc2Br)CC1)NC1CC1	ZINC000862214375	984253960	/nfs/dbraw/zinc/25/39/60/984253960.db2.gz	PUJHUONLALRQSZ-UHFFFAOYSA-N	-1	3	368.275	1.551	20	10		FDCDHM
Nc1nsc(N2CCN(Cc3c([O-])cccc3Br)CC2)n1	ZINC000862252436	984284555	/nfs/dbraw/zinc/28/45/55/984284555.db2.gz	UCQMHAUXJDUPTH-UHFFFAOYSA-N	-1	3	370.276	1.911	20	10		FDCDHM
NC(=O)c1cn(C2CCN(Cc3c([O-])ccc(Cl)c3F)CC2)nn1	ZINC000862483964	984399132	/nfs/dbraw/zinc/39/91/32/984399132.db2.gz	ZTNIXPJSJLQOIX-UHFFFAOYSA-N	-1	3	353.785	1.712	20	10		FDCDHM
O=C(c1cccc(O)c1[O-])N1CCC(S(=O)(=O)N2CCCCC2)CC1	ZINC000886171063	985942276	/nfs/dbraw/zinc/94/22/76/985942276.db2.gz	VYDWSILAXHEWTA-UHFFFAOYSA-N	-1	3	368.455	1.518	20	10		FDCDHM
O=[N+]([O-])c1ccc([O-])c(C[NH2+]CCOc2ccc(-c3nn[n-]n3)cc2)c1	ZINC000826498847	986681348	/nfs/dbraw/zinc/68/13/48/986681348.db2.gz	LVNTZXUVGOCDAX-UHFFFAOYSA-N	-1	3	356.342	1.649	20	10		FDCDHM
COCCN1CCCN(Cc2ccc(Br)cc2[O-])CC1=O	ZINC000825666434	988672691	/nfs/dbraw/zinc/67/26/91/988672691.db2.gz	JPAGTHVZRDTMEU-UHFFFAOYSA-N	-1	3	357.248	1.835	20	10		FDCDHM
COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@H]1CCc2ncnn21	ZINC000878242471	993824939	/nfs/dbraw/zinc/82/49/39/993824939.db2.gz	KITMRRPGCAEKJM-CYBMUJFWSA-N	-1	3	350.806	1.800	20	10		FDCDHM
COC(=O)CNC(=O)[C@@H]1CCCN1Cc1ccc(Br)cc1[O-]	ZINC000826131711	995381132	/nfs/dbraw/zinc/38/11/32/995381132.db2.gz	XZUOPVKLYMXCKM-LBPRGKRZSA-N	-1	3	371.231	1.408	20	10		FDCDHM
CCCCS(=O)(=O)N1CCC(C(=O)NCc2c([O-])cccc2F)CC1	ZINC000928710375	1001633073	/nfs/dbraw/zinc/63/30/73/1001633073.db2.gz	CKTLSVCAYXGHAA-UHFFFAOYSA-N	-1	3	372.462	1.989	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCC2(CCO)CCCCC2)c1	ZINC000271403001	674340682	/nfs/dbraw/zinc/34/06/82/674340682.db2.gz	MUHWPABRLIOJAW-UHFFFAOYSA-N	-1	3	370.471	1.826	20	10		FDCDHM
CN(C)c1ccc(CN(C)C(=O)C[N-]S(=O)(=O)c2cccs2)cc1	ZINC000032806399	519541748	/nfs/dbraw/zinc/54/17/48/519541748.db2.gz	NBRDQSKUNGTENC-UHFFFAOYSA-N	-1	3	367.496	1.751	20	10		FDCDHM
CC(=O)c1cc(F)cc(CN2CCCC[C@H]2CNS(C)(=O)=O)c1[O-]	ZINC000079399166	523745361	/nfs/dbraw/zinc/74/53/61/523745361.db2.gz	TWIRDCOWWXTCAL-AWEZNQCLSA-N	-1	3	358.435	1.638	20	10		FDCDHM
COC(=O)CN1CCCN(Cc2cc(Br)ccc2[O-])CC1	ZINC000121356818	524232751	/nfs/dbraw/zinc/23/27/51/524232751.db2.gz	KJICCGWVWMFBHE-UHFFFAOYSA-N	-1	3	357.248	1.835	20	10		FDCDHM
C[C@H]1CCN(C(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)c2c([O-])cccc21	ZINC000186313874	536231848	/nfs/dbraw/zinc/23/18/48/536231848.db2.gz	HAKABLGQIGQSTG-GUOLPTJISA-N	-1	3	355.394	1.343	20	10		FDCDHM
COc1cc(Br)cc(CN2CCc3nnc(N)cc3C2)c1[O-]	ZINC000371373418	537824766	/nfs/dbraw/zinc/82/47/66/537824766.db2.gz	MAMFCQPCHTXREX-UHFFFAOYSA-N	-1	3	365.231	2.094	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H](c3cc[nH]n3)C2)c1	ZINC000368901984	537991761	/nfs/dbraw/zinc/99/17/61/537991761.db2.gz	QVOBTSOECKQLRL-LLVKDONJSA-N	-1	3	364.427	1.507	20	10		FDCDHM
COc1c([O-])c(CN2CCN([C@@H]3CCC[C@@H]3O)CC2)ccc1[N+](=O)[O-]	ZINC000373201994	538093172	/nfs/dbraw/zinc/09/31/72/538093172.db2.gz	BPJZLGVUAFUZGB-HIFRSBDPSA-N	-1	3	351.403	1.340	20	10		FDCDHM
Cc1cc(C(=O)O[C@H]2CCNC2=O)c(C)n1-c1ccc(-c2nn[n-]n2)cc1	ZINC000822184698	607262251	/nfs/dbraw/zinc/26/22/51/607262251.db2.gz	ZSZFBMPNCZFDMZ-HNNXBMFYSA-N	-1	3	366.381	1.320	20	10		FDCDHM
Fc1cc(CNCc2ccc(-c3nnn[n-]3)o2)ccc1N1CCOCC1	ZINC000822748289	599411068	/nfs/dbraw/zinc/41/10/68/599411068.db2.gz	RGJPFJMFCJQJEU-UHFFFAOYSA-N	-1	3	358.377	1.725	20	10		FDCDHM
O=C(c1ccc(-c2nnn[n-]2)[nH]1)N(Cc1ccccc1O)C[C@H]1CCCO1	ZINC000826470831	607757918	/nfs/dbraw/zinc/75/79/18/607757918.db2.gz	FIAMUFWVHJFIDO-CYBMUJFWSA-N	-1	3	368.397	1.722	20	10		FDCDHM
O=C(c1ccc(-c2nn[n-]n2)[nH]1)N(Cc1ccccc1O)C[C@H]1CCCO1	ZINC000826470831	607757919	/nfs/dbraw/zinc/75/79/19/607757919.db2.gz	FIAMUFWVHJFIDO-CYBMUJFWSA-N	-1	3	368.397	1.722	20	10		FDCDHM
CN(C)c1ccc(CNC(=O)COc2ccc(-c3nnn[n-]3)cc2F)cc1	ZINC000821589531	607171467	/nfs/dbraw/zinc/17/14/67/607171467.db2.gz	RUMPRGGNDRPIII-UHFFFAOYSA-N	-1	3	370.388	1.767	20	10		FDCDHM
CN(C)c1ccc(CNC(=O)COc2ccc(-c3nn[n-]n3)cc2F)cc1	ZINC000821589531	607171468	/nfs/dbraw/zinc/17/14/68/607171468.db2.gz	RUMPRGGNDRPIII-UHFFFAOYSA-N	-1	3	370.388	1.767	20	10		FDCDHM
CC1(C)CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])[C@H]1[C@@H]1CCCO1	ZINC000292665635	676303971	/nfs/dbraw/zinc/30/39/71/676303971.db2.gz	LVHCGHHSSQSOSU-GJZGRUSLSA-N	-1	3	368.455	1.793	20	10		FDCDHM
CCc1nc(C)c(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])o1	ZINC000293610366	676357420	/nfs/dbraw/zinc/35/74/20/676357420.db2.gz	HMRCGIQXAPULSI-UHFFFAOYSA-N	-1	3	353.400	1.553	20	10		FDCDHM
CCN1CCO[C@H](CN2CCN(Cc3cccc(Cl)c3[O-])CC2)C1	ZINC000371425180	677669789	/nfs/dbraw/zinc/66/97/89/677669789.db2.gz	RLUIUKTXBQMQAD-INIZCTEOSA-N	-1	3	353.894	1.884	20	10		FDCDHM
O=C(c1cccc(O)c1[O-])N1CC(S(=O)(=O)c2ccccc2F)C1	ZINC000376025259	678213624	/nfs/dbraw/zinc/21/36/24/678213624.db2.gz	IZWHXMAXEJKOOO-UHFFFAOYSA-N	-1	3	351.355	1.535	20	10		FDCDHM
O=C(c1ccc[nH]c1=O)N1CCCN(C(=O)c2cccc(O)c2[O-])CC1	ZINC000376431573	787751874	/nfs/dbraw/zinc/75/18/74/787751874.db2.gz	CAUATFCMMQTTEE-UHFFFAOYSA-N	-1	3	357.366	1.187	20	10		FDCDHM
CCOC(=O)C[C@@H](C)CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000761027978	863803465	/nfs/dbraw/zinc/80/34/65/863803465.db2.gz	CYHFNFFMBXAXDK-SNVBAGLBSA-N	-1	3	358.416	1.083	20	10		FDCDHM
C[C@@H](CNc1ccccc1)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000762560037	876105833	/nfs/dbraw/zinc/10/58/33/876105833.db2.gz	QQNUGADUPXAMGF-LBPRGKRZSA-N	-1	3	363.439	1.994	20	10		FDCDHM
CN1CCN(Cc2cccc(-c3noc(-c4cc([O-])[nH]c(=O)c4)n3)c2)CC1	ZINC001212566363	885101687	/nfs/dbraw/zinc/10/16/87/885101687.db2.gz	QGFDFRAFEACLRQ-UHFFFAOYSA-N	-1	3	367.409	1.957	20	10		FDCDHM
CO[C@H]1CS(=O)(=O)C[C@@H]1NCc1c([O-])cccc1Br	ZINC000706805230	886654699	/nfs/dbraw/zinc/65/46/99/886654699.db2.gz	SYJXOYZPPHYXOU-JQWIXIFHSA-N	-1	3	350.234	1.056	20	10		FDCDHM
O=C(NCc1c([O-])cccc1F)N[C@@H]1CCCC[C@H]1N1CCOCC1	ZINC000921493136	888035965	/nfs/dbraw/zinc/03/59/65/888035965.db2.gz	IPPAHWQRVIAHCX-HZPDHXFCSA-N	-1	3	351.422	1.974	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC(Oc3ccncc3)C2)c1	ZINC000730832270	917331458	/nfs/dbraw/zinc/33/14/58/917331458.db2.gz	IQINKQKCJUORKT-UHFFFAOYSA-N	-1	3	363.395	1.062	20	10		FDCDHM
Cc1nc(C)c(CCNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])s1	ZINC000731054792	917674690	/nfs/dbraw/zinc/67/46/90/917674690.db2.gz	NXNITMQYKCUYHG-UHFFFAOYSA-N	-1	3	369.468	1.810	20	10		FDCDHM
COC(=O)[C@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])CC(C)C	ZINC000743630385	926420100	/nfs/dbraw/zinc/42/01/00/926420100.db2.gz	SGDOMDBRFHNJMF-NSHDSACASA-N	-1	3	372.443	1.329	20	10		FDCDHM
O=C(NC[C@@H](O)c1cc(Cl)c2c(c1)OCCO2)c1cccc(O)c1[O-]	ZINC000790766729	933712561	/nfs/dbraw/zinc/71/25/61/933712561.db2.gz	DUFNWEXSCIRNNQ-CYBMUJFWSA-N	-1	3	365.769	1.986	20	10		FDCDHM
CCc1nnc(NC(=O)[C@@H](C)[C@H](C)NC(=O)c2cccc(O)c2[O-])s1	ZINC000804912308	938604712	/nfs/dbraw/zinc/60/47/12/938604712.db2.gz	UXKUBVNHWFFRCF-IUCAKERBSA-N	-1	3	364.427	1.905	20	10		FDCDHM
C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@H](O)c1ccccc1	ZINC000811538795	941140156	/nfs/dbraw/zinc/14/01/56/941140156.db2.gz	OFTOFANQHSEXFP-BZNIZROVSA-N	-1	3	364.423	1.616	20	10		FDCDHM
C[C@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C2(CCC2)CO1	ZINC000846510156	951210867	/nfs/dbraw/zinc/21/08/67/951210867.db2.gz	CSWXKNZEFICVFN-NSHDSACASA-N	-1	3	354.428	1.547	20	10		FDCDHM
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(-c2nnn[n-]2)cn1	ZINC001575189461	952457782	/nfs/dbraw/zinc/45/77/82/952457782.db2.gz	PCRYAAGRNFAZQW-SECBINFHSA-N	-1	3	355.358	1.426	20	10		FDCDHM
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(-c2nn[n-]n2)cn1	ZINC001575189461	952457786	/nfs/dbraw/zinc/45/77/86/952457786.db2.gz	PCRYAAGRNFAZQW-SECBINFHSA-N	-1	3	355.358	1.426	20	10		FDCDHM
O=C(c1cc(O)c([O-])c(O)c1)N1CCn2c(Br)cnc2C1	ZINC001148583773	952757849	/nfs/dbraw/zinc/75/78/49/952757849.db2.gz	AQBVDRBZCVYLLK-UHFFFAOYSA-N	-1	3	354.160	1.418	20	10		FDCDHM
CN1CCN(c2cccc([N-]S(=O)(=O)c3cc(F)ccc3N)c2)CC1	ZINC001212715750	961977348	/nfs/dbraw/zinc/97/73/48/961977348.db2.gz	GXTPPFHBLWIISM-UHFFFAOYSA-N	-1	3	364.446	1.961	20	10		FDCDHM
Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)N3CCN4CC[C@@H]4C3)cc12	ZINC001184360735	963541719	/nfs/dbraw/zinc/54/17/19/963541719.db2.gz	JCBLQLAOEIHZRQ-OAHLLOKOSA-N	-1	3	371.437	1.155	20	10		FDCDHM
Cc1cc(CNC(=O)CN(C)Cc2cc3c(C)cc(=O)oc3cc2[O-])[nH]n1	ZINC001184362784	963543771	/nfs/dbraw/zinc/54/37/71/963543771.db2.gz	VCBFWEBEGMYFMX-UHFFFAOYSA-N	-1	3	370.409	1.587	20	10		FDCDHM
Cc1cc(CNC(=O)CN(C)Cc2cc3c(C)cc(=O)oc3cc2[O-])n[nH]1	ZINC001184362784	963543784	/nfs/dbraw/zinc/54/37/84/963543784.db2.gz	VCBFWEBEGMYFMX-UHFFFAOYSA-N	-1	3	370.409	1.587	20	10		FDCDHM
Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)NCCn3ccnc3)cc12	ZINC001184354921	963558562	/nfs/dbraw/zinc/55/85/62/963558562.db2.gz	MKAJOWIYPTYIJD-UHFFFAOYSA-N	-1	3	370.409	1.252	20	10		FDCDHM
CCOC(=O)[C@H]1c2n[nH]cc2CCN1C(=O)c1ccc([O-])c(O)c1Cl	ZINC001193232949	969563314	/nfs/dbraw/zinc/56/33/14/969563314.db2.gz	RPIJZMBLOKPLDH-CYBMUJFWSA-N	-1	3	365.773	1.777	20	10		FDCDHM
Cn1cnc(-c2nnc3n2CCN(Cc2c([O-])ccc4ccncc42)C3)c1	ZINC000872727949	988014531	/nfs/dbraw/zinc/01/45/31/988014531.db2.gz	RGIBKDKZCWCCGF-UHFFFAOYSA-N	-1	3	361.409	1.948	20	10		FDCDHM
CN(C)c1ccc([C@H](CNC(=O)Nc2cc(C(=O)[O-])nn2C)N(C)C)cc1	ZINC001598313683	991292041	/nfs/dbraw/zinc/29/20/41/991292041.db2.gz	UUYOQRHNXAJRNE-HNNXBMFYSA-N	-1	3	374.445	1.609	20	10		FDCDHM
C[C@H]([NH2+][C@@H]1CCN(CCN2CCOCC2)C1)c1cc(C(=O)[O-])ccc1[O-]	ZINC001593218166	994281595	/nfs/dbraw/zinc/28/15/95/994281595.db2.gz	GKWWTWNDEAEOOD-GOEBONIOSA-N	-1	3	363.458	1.148	20	10		FDCDHM
COCCOC1(C[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2[O-])CCOCC1	ZINC001599247619	998172398	/nfs/dbraw/zinc/17/23/98/998172398.db2.gz	KESMKGBHVRIVPV-CYBMUJFWSA-N	-1	3	353.415	1.953	20	10		FDCDHM
O=C(/C=C\c1ccc(O)c(O)c1)N1CCN(C(=O)c2ccccc2[O-])CC1	ZINC000779533578	1009858809	/nfs/dbraw/zinc/85/88/09/1009858809.db2.gz	YWGWBJRMEQBXLB-VURMDHGXSA-N	-1	3	368.389	1.801	20	10		FDCDHM
O=S(=O)([C@H]1CCCN(Cc2c([O-])cccc2Cl)C1)N1CCOCC1	ZINC000779606803	1010377716	/nfs/dbraw/zinc/37/77/16/1010377716.db2.gz	ANNXYZGKCXFFNH-ZDUSSCGKSA-N	-1	3	374.890	1.672	20	10		FDCDHM
CC(C)CO[C@H]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1	ZINC000268268968	674086497	/nfs/dbraw/zinc/08/64/97/674086497.db2.gz	BQXISKZWBGTWSW-ZDUSSCGKSA-N	-1	3	356.444	1.651	20	10		FDCDHM
C[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C(=O)OC(C)(C)C	ZINC000271042594	674301333	/nfs/dbraw/zinc/30/13/33/674301333.db2.gz	ODXNUBWSDWEVCO-VIFPVBQESA-N	-1	3	358.416	1.224	20	10		FDCDHM
CN(C)c1ccc(CNC(=O)C[N-]S(=O)(=O)c2cccs2)cc1	ZINC000032712299	519527662	/nfs/dbraw/zinc/52/76/62/519527662.db2.gz	IYYYTBNFIVQGRL-UHFFFAOYSA-N	-1	3	353.469	1.409	20	10		FDCDHM
COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CN(C)Cc1ccccc1[O-]	ZINC000121152374	524167582	/nfs/dbraw/zinc/16/75/82/524167582.db2.gz	GRAMQZFRELLLQO-SFHVURJKSA-N	-1	3	368.433	1.951	20	10		FDCDHM
CN(C)c1ccc(CNC(=O)c2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)cc1	ZINC000081947108	524202759	/nfs/dbraw/zinc/20/27/59/524202759.db2.gz	YZNRJPAOVACIBU-HXUWFJFHSA-N	-1	3	366.421	1.737	20	10		FDCDHM
CCN(CC(=O)NCCC(=O)OC)Cc1cc(Br)ccc1[O-]	ZINC000174424884	524572502	/nfs/dbraw/zinc/57/25/02/524572502.db2.gz	NSELNAWXKLFIEV-UHFFFAOYSA-N	-1	3	373.247	1.656	20	10		FDCDHM
CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@H]1CC(=O)N(C)C1	ZINC000175847160	525017328	/nfs/dbraw/zinc/01/73/28/525017328.db2.gz	UZLGKGVUQQGQQG-NSHDSACASA-N	-1	3	355.232	1.982	20	10		FDCDHM
CC(=O)c1cc(F)cc(CN2CCN(C(=O)[C@H]3CCCO3)CC2)c1[O-]	ZINC000177230652	525258767	/nfs/dbraw/zinc/25/87/67/525258767.db2.gz	FVWWJQZZBZRTCL-MRXNPFEDSA-N	-1	3	350.390	1.557	20	10		FDCDHM
COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@@H](O)Cn1cccn1	ZINC000171927473	526183680	/nfs/dbraw/zinc/18/36/80/526183680.db2.gz	RWKQQBCUBUCFPL-CQSZACIVSA-N	-1	3	353.806	1.278	20	10		FDCDHM
CNC(=O)[C@@H]1CN(Cc2ccc(OCc3ccccc3)cc2[O-])CCO1	ZINC000183170243	535934295	/nfs/dbraw/zinc/93/42/95/535934295.db2.gz	MNVQMRWQRSGLOM-IBGZPJMESA-N	-1	3	356.422	1.918	20	10		FDCDHM
CC(=O)c1cc(Cl)cc(CN2CCC[C@H](CS(N)(=O)=O)C2)c1[O-]	ZINC000267407966	536976793	/nfs/dbraw/zinc/97/67/93/536976793.db2.gz	SNFBPFJOBAPBSK-NSHDSACASA-N	-1	3	360.863	1.749	20	10		FDCDHM
CC(=O)c1cc(Cl)cc(CN2CCN(CCC(=O)N(C)C)CC2)c1[O-]	ZINC000268498166	537014151	/nfs/dbraw/zinc/01/41/51/537014151.db2.gz	RNQORCPPERLXLE-UHFFFAOYSA-N	-1	3	367.877	1.844	20	10		FDCDHM
CC(C)N(CCCNC(=O)CN(C)Cc1ccccc1[O-])S(C)(=O)=O	ZINC000264714703	537147813	/nfs/dbraw/zinc/14/78/13/537147813.db2.gz	NKRWKEUTSSFYQI-UHFFFAOYSA-N	-1	3	371.503	1.000	20	10		FDCDHM
Nc1nsc(N2CCN(Cc3cc(Br)ccc3[O-])CC2)n1	ZINC000271263727	537414195	/nfs/dbraw/zinc/41/41/95/537414195.db2.gz	LFCSKALLTLRAIE-UHFFFAOYSA-N	-1	3	370.276	1.911	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC([C@H]3CCCO3)CC2)c1	ZINC000276336381	537431404	/nfs/dbraw/zinc/43/14/04/537431404.db2.gz	WBXSUCQMPUJYCI-MRXNPFEDSA-N	-1	3	368.455	1.795	20	10		FDCDHM
CCN(Cc1cc(Br)ccc1[O-])C(=O)COCC(=O)OC	ZINC000287921821	537450121	/nfs/dbraw/zinc/45/01/21/537450121.db2.gz	GPMNEFRAOHIYJN-UHFFFAOYSA-N	-1	3	360.204	1.693	20	10		FDCDHM
C[C@@]1(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCO[C@H]1C1CC1	ZINC000273499639	537455324	/nfs/dbraw/zinc/45/53/24/537455324.db2.gz	NWGAFHRRTNKJBK-GOEBONIOSA-N	-1	3	354.428	1.451	20	10		FDCDHM
CC[C@H](N[C@H](C)c1cc(C(=O)OC)ccc1[O-])C(=O)N1CCOCC1	ZINC000273551275	537468703	/nfs/dbraw/zinc/46/87/03/537468703.db2.gz	GBKKERWJSMXRAK-DOMZBBRYSA-N	-1	3	350.415	1.467	20	10		FDCDHM
COCCn1nnc2c1CCN(Cc1cc(Cl)cc(OC)c1[O-])C2	ZINC000293532601	537503181	/nfs/dbraw/zinc/50/31/81/537503181.db2.gz	BYJJJLHCSMWLMU-UHFFFAOYSA-N	-1	3	352.822	1.850	20	10		FDCDHM
COc1c([O-])c(CN2CCC[C@H](S(=O)(=O)N(C)C)C2)ccc1[N+](=O)[O-]	ZINC000289116425	537556059	/nfs/dbraw/zinc/55/60/59/537556059.db2.gz	DFUDAFIKTWWLEL-LBPRGKRZSA-N	-1	3	373.431	1.165	20	10		FDCDHM
COCC1(CCNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCC1	ZINC000293763881	537585346	/nfs/dbraw/zinc/58/53/46/537585346.db2.gz	ACVXJLNEIYVZET-UHFFFAOYSA-N	-1	3	356.444	1.700	20	10		FDCDHM
CC(C)[C@]1(CO)CCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1	ZINC000294567257	537706342	/nfs/dbraw/zinc/70/63/42/537706342.db2.gz	DXUZBCNWWNPULN-QGZVFWFLSA-N	-1	3	370.471	1.634	20	10		FDCDHM
O=C(OC[C@H]1CCCCN1C(=O)c1cccc(O)c1[O-])N1CCOCC1	ZINC000367420057	537958467	/nfs/dbraw/zinc/95/84/67/537958467.db2.gz	OTKANWRUWHNSFE-CYBMUJFWSA-N	-1	3	364.398	1.561	20	10		FDCDHM
O=C(OC[C@@H]1CCCCN1C(=O)c1cccc(O)c1[O-])N1CCOCC1	ZINC000367420058	537958562	/nfs/dbraw/zinc/95/85/62/537958562.db2.gz	OTKANWRUWHNSFE-ZDUSSCGKSA-N	-1	3	364.398	1.561	20	10		FDCDHM
O=C(C1=CC(=O)CS1)N1CCN(c2ccccc2-c2nn[n-]n2)CC1	ZINC000738246450	598721128	/nfs/dbraw/zinc/72/11/28/598721128.db2.gz	DPBCFOOBCTVLRZ-UHFFFAOYSA-N	-1	3	356.411	1.596	20	10		FDCDHM
O=C(C=Cc1ccc(O)c(O)c1)OCCOc1ccc(-c2nn[n-]n2)cc1	ZINC000822928383	607452029	/nfs/dbraw/zinc/45/20/29/607452029.db2.gz	HRMLPLMVXXUWOQ-WAPJZHGLSA-N	-1	3	368.349	1.913	20	10		FDCDHM
COc1ccc2ccc([O-])c(C[N@H+](CCN3CCOCC3)CC(=O)[O-])c2c1	ZINC000738079842	600670773	/nfs/dbraw/zinc/67/07/73/600670773.db2.gz	UTOZSHHGOJNLQF-UHFFFAOYSA-N	-1	3	374.437	1.773	20	10		FDCDHM
COc1ccc2ccc([O-])c(C[N@@H+](CCN3CCOCC3)CC(=O)[O-])c2c1	ZINC000738079842	600670775	/nfs/dbraw/zinc/67/07/75/600670775.db2.gz	UTOZSHHGOJNLQF-UHFFFAOYSA-N	-1	3	374.437	1.773	20	10		FDCDHM
COc1ccc(COC(=O)c2ccc(C)c(O)c2O)cc1-c1nnn[n-]1	ZINC000826206232	607605720	/nfs/dbraw/zinc/60/57/20/607605720.db2.gz	JNRDRUIMGHWKDS-UHFFFAOYSA-N	-1	3	356.338	1.952	20	10		FDCDHM
COc1ccc(COC(=O)c2ccc(C)c(O)c2O)cc1-c1nn[n-]n1	ZINC000826206232	607605721	/nfs/dbraw/zinc/60/57/21/607605721.db2.gz	JNRDRUIMGHWKDS-UHFFFAOYSA-N	-1	3	356.338	1.952	20	10		FDCDHM
O=C(c1ccc(-c2nnn[n-]2)[nH]1)N(Cc1ccccc1O)C[C@@H]1CCCO1	ZINC000826470832	607757972	/nfs/dbraw/zinc/75/79/72/607757972.db2.gz	FIAMUFWVHJFIDO-ZDUSSCGKSA-N	-1	3	368.397	1.722	20	10		FDCDHM
O=C(c1ccc(-c2nn[n-]n2)[nH]1)N(Cc1ccccc1O)C[C@@H]1CCCO1	ZINC000826470832	607757973	/nfs/dbraw/zinc/75/79/73/607757973.db2.gz	FIAMUFWVHJFIDO-ZDUSSCGKSA-N	-1	3	368.397	1.722	20	10		FDCDHM
COc1ccc(O)c(CNC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1	ZINC000821837286	607234339	/nfs/dbraw/zinc/23/43/39/607234339.db2.gz	CFLVAZAILYQRNT-TWGQIWQCSA-N	-1	3	351.366	1.911	20	10		FDCDHM
COc1ccc(O)c(CNC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1	ZINC000821837286	607234340	/nfs/dbraw/zinc/23/43/40/607234340.db2.gz	CFLVAZAILYQRNT-TWGQIWQCSA-N	-1	3	351.366	1.911	20	10		FDCDHM
O=S(=O)(Cc1ccon1)N1CCN(Cc2cc(Cl)ccc2[O-])CC1	ZINC000093735991	671522570	/nfs/dbraw/zinc/52/25/70/671522570.db2.gz	IYVDMFOFWKZKGI-UHFFFAOYSA-N	-1	3	371.846	1.681	20	10		FDCDHM
Cc1nc(C)c(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])s1	ZINC000266475787	673127406	/nfs/dbraw/zinc/12/74/06/673127406.db2.gz	BIOUSXDTIJVDHI-UHFFFAOYSA-N	-1	3	355.441	1.767	20	10		FDCDHM
CC(C)C[C@H](CCO)CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000267264534	673279201	/nfs/dbraw/zinc/27/92/01/673279201.db2.gz	ULSUOFFAASPRTA-LBPRGKRZSA-N	-1	3	358.460	1.538	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC[C@@H]3OCCC[C@H]3C2)c1	ZINC000363511113	676958797	/nfs/dbraw/zinc/95/87/97/676958797.db2.gz	GSRLWGBDKALYEI-NHYWBVRUSA-N	-1	3	354.428	1.405	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC[C@@]3(C2)CCCOC3)c1	ZINC000368607220	677500828	/nfs/dbraw/zinc/50/08/28/677500828.db2.gz	YGHIXHGLETXGED-MRXNPFEDSA-N	-1	3	354.428	1.406	20	10		FDCDHM
O=C(CN1CCN(C(=O)c2cccc(O)c2[O-])CC1)Nc1ccc(F)cc1	ZINC000274887958	770955890	/nfs/dbraw/zinc/95/58/90/770955890.db2.gz	KSHREDUWCIRINM-UHFFFAOYSA-N	-1	3	373.384	1.633	20	10		FDCDHM
C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)c1cccc(O)c1[O-]	ZINC000275133901	771358894	/nfs/dbraw/zinc/35/88/94/771358894.db2.gz	ODIIFGBZRNBNOY-CQSZACIVSA-N	-1	3	356.426	1.433	20	10		FDCDHM
CN1CCN(c2cc(CNC(=O)c3c(F)ccc(O)c3[O-])ccn2)CC1	ZINC000276560424	778178502	/nfs/dbraw/zinc/17/85/02/778178502.db2.gz	LRZQEVFXPFVJJG-UHFFFAOYSA-N	-1	3	360.389	1.314	20	10		FDCDHM
[O-]c1cc(I)ccc1CN1CC[C@@](F)(CO)C1	ZINC001232973773	867183551	/nfs/dbraw/zinc/18/35/51/867183551.db2.gz	ADDKTSLJHCRQQH-LBPRGKRZSA-N	-1	3	351.159	1.903	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H](CCO)c2ccccc2)c1	ZINC000770013322	929775446	/nfs/dbraw/zinc/77/54/46/929775446.db2.gz	JBHITLLCSKIKBU-HNNXBMFYSA-N	-1	3	364.423	1.617	20	10		FDCDHM
Cc1cc(Br)c([O-])c(CN2CCC(S(N)(=O)=O)CC2)c1	ZINC000785986719	931698801	/nfs/dbraw/zinc/69/88/01/931698801.db2.gz	WRRNYBYBJRCYLE-UHFFFAOYSA-N	-1	3	363.277	1.716	20	10		FDCDHM
CC[C@@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C[C@H](CC)O1	ZINC000817635303	942844426	/nfs/dbraw/zinc/84/44/26/942844426.db2.gz	CLMJFNTVMSBLBQ-BETUJISGSA-N	-1	3	356.444	1.793	20	10		FDCDHM
Cc1cc([O-])c(CN2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1Cl	ZINC000824535707	946511431	/nfs/dbraw/zinc/51/14/31/946511431.db2.gz	VBENNLULZBXUMC-CQSZACIVSA-N	-1	3	358.891	1.659	20	10		FDCDHM
CN1CCN(Cc2ccccc2)[C@H](CNC(=O)c2c(F)ccc(O)c2[O-])C1	ZINC000857336740	971724350	/nfs/dbraw/zinc/72/43/50/971724350.db2.gz	HJXODTMXQVWYQR-OAHLLOKOSA-N	-1	3	373.428	1.783	20	10		FDCDHM
O=C(c1cc(O)c([O-])c(O)c1)N1Cc2nccn2C[C@@H](Cn2cccn2)C1	ZINC001148583763	952757770	/nfs/dbraw/zinc/75/77/70/952757770.db2.gz	AGXQICNULLQGCJ-GFCCVEGCSA-N	-1	3	369.381	1.169	20	10		FDCDHM
O=C(c1cc(O)c([O-])c(O)c1)N1Cc2nccn2C[C@@H](COCC2CC2)C1	ZINC001148584597	952758370	/nfs/dbraw/zinc/75/83/70/952758370.db2.gz	VSQVADBRKYTSJP-CYBMUJFWSA-N	-1	3	373.409	1.699	20	10		FDCDHM
O=C(c1cc(O)c([O-])c(O)c1)N1Cc2nccn2C[C@H](COCC2CC2)C1	ZINC001148584598	952758497	/nfs/dbraw/zinc/75/84/97/952758497.db2.gz	VSQVADBRKYTSJP-ZDUSSCGKSA-N	-1	3	373.409	1.699	20	10		FDCDHM
NC(=O)C1CCN(c2ccccc2NC(=O)c2cc(O)c([O-])c(O)c2)CC1	ZINC001148586694	952759345	/nfs/dbraw/zinc/75/93/45/952759345.db2.gz	ULBKFCDDODSNGV-UHFFFAOYSA-N	-1	3	371.393	1.757	20	10		FDCDHM
CN(C)C1(CS(=O)(=O)NCc2cccc(Br)c2[O-])CC1	ZINC000867195526	971894157	/nfs/dbraw/zinc/89/41/57/971894157.db2.gz	UGVPQMLKQAYYBO-UHFFFAOYSA-N	-1	3	363.277	1.668	20	10		FDCDHM
C[C@@H](CN(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C(=O)[O-]	ZINC001589023341	955491896	/nfs/dbraw/zinc/49/18/96/955491896.db2.gz	HLGRPULHXNYFRH-BBRMVZONSA-N	-1	3	350.463	1.717	20	10		FDCDHM
O=C(NCc1cc(Cl)c2cccnc2c1[O-])[C@@H]1CSCC(=O)N1	ZINC001180557575	965399183	/nfs/dbraw/zinc/39/91/83/965399183.db2.gz	YPSYZGMDQKOLAS-NSHDSACASA-N	-1	3	351.815	1.442	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@](O)(C3CC3)C2)c1	ZINC000855696381	970620594	/nfs/dbraw/zinc/62/05/94/970620594.db2.gz	RTZOLXAOBLDEFY-MRXNPFEDSA-N	-1	3	354.428	1.141	20	10		FDCDHM
COc1cc(CNC(=O)c2cccc(O)c2[O-])ccc1OCC(=O)N(C)C	ZINC000776336718	975929274	/nfs/dbraw/zinc/92/92/74/975929274.db2.gz	NKQRLXKYKCIIOA-UHFFFAOYSA-N	-1	3	374.393	1.503	20	10		FDCDHM
CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)c1cccc(O)c1[O-])CC2	ZINC000776349605	976093331	/nfs/dbraw/zinc/09/33/31/976093331.db2.gz	DSANSVZPCXZNEJ-UHFFFAOYSA-N	-1	3	362.407	1.599	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC3(CCCCO3)CC2)c1	ZINC000882432348	980639817	/nfs/dbraw/zinc/63/98/17/980639817.db2.gz	GTHDGIZPZZPZFG-UHFFFAOYSA-N	-1	3	368.455	1.939	20	10		FDCDHM
CNS(=O)(=O)C[C@H]1CCCN(Cc2cc(F)cc(C(C)=O)c2[O-])C1	ZINC000860196941	983281287	/nfs/dbraw/zinc/28/12/87/983281287.db2.gz	MZKDCTQEOCTBRF-LBPRGKRZSA-N	-1	3	358.435	1.495	20	10		FDCDHM
CC(C)NC(=O)CN1CCN(Cc2c([O-])cccc2Br)CC1	ZINC000862213736	984253121	/nfs/dbraw/zinc/25/31/21/984253121.db2.gz	VOCPXONXHAVTTJ-UHFFFAOYSA-N	-1	3	370.291	1.797	20	10		FDCDHM
CC(C)NC(=O)c1cnn2c1C[C@H](CNC(=O)c1cccc(O)c1[O-])CC2	ZINC000366173831	988506005	/nfs/dbraw/zinc/50/60/05/988506005.db2.gz	WUDOQMQHDAEAPV-GFCCVEGCSA-N	-1	3	372.425	1.425	20	10		FDCDHM
CC(=O)c1cc(F)cc(CN2CCn3c(nnc3-c3cn(C)cn3)C2)c1[O-]	ZINC000879581842	995043120	/nfs/dbraw/zinc/04/31/20/995043120.db2.gz	AERIXEXVTCDUDU-UHFFFAOYSA-N	-1	3	370.388	1.742	20	10		FDCDHM
CC(C)(C)OC(=O)N1C[C@@H](O)C[C@]1(C)C(=O)NCc1c([O-])cccc1F	ZINC000928712778	1001633470	/nfs/dbraw/zinc/63/34/70/1001633470.db2.gz	UVIRITFYQZRYFY-BBATYDOGSA-N	-1	3	368.405	1.908	20	10		FDCDHM
COC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccc(OC)cc2O)c(F)c1	ZINC000795357371	1006341047	/nfs/dbraw/zinc/34/10/47/1006341047.db2.gz	DMZGEBVUODHSTR-UHFFFAOYSA-N	-1	3	369.370	1.805	20	10		FDCDHM
COC(=O)c1cc(S(=O)(=O)[N-]Cc2cccc(OC)c2O)oc1C	ZINC000269771912	674112743	/nfs/dbraw/zinc/11/27/43/674112743.db2.gz	HQYIHALWZZZOMN-UHFFFAOYSA-N	-1	3	355.368	1.567	20	10		FDCDHM
CCC1(CO)CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1	ZINC000270966621	674292947	/nfs/dbraw/zinc/29/29/47/674292947.db2.gz	SGITWJXRKNDOOP-UHFFFAOYSA-N	-1	3	356.444	1.388	20	10		FDCDHM
Cc1nccn1C[C@@H](C)CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000064737435	522748208	/nfs/dbraw/zinc/74/82/08/522748208.db2.gz	MUHHYEOZYXUHNV-NSHDSACASA-N	-1	3	366.443	1.335	20	10		FDCDHM
CC(C)NC(=O)C(=O)N1CCN(Cc2c([O-])ccc3ccccc32)CC1	ZINC000078268823	523546509	/nfs/dbraw/zinc/54/65/09/523546509.db2.gz	SJXREGYIBYVJTO-UHFFFAOYSA-N	-1	3	355.438	1.714	20	10		FDCDHM
Cc1nc(S(=O)(=O)N2CCN(Cc3cc(F)ccc3[O-])CC2)cn1C	ZINC000180231976	525675103	/nfs/dbraw/zinc/67/51/03/525675103.db2.gz	IWPXHGZNMCRCCY-UHFFFAOYSA-N	-1	3	368.434	1.080	20	10		FDCDHM
CCNS(=O)(=O)[C@H]1CCN(Cc2cc(Br)ccc2[O-])C1	ZINC000181565164	525874171	/nfs/dbraw/zinc/87/41/71/525874171.db2.gz	IUZBMJMYKXUPTH-LBPRGKRZSA-N	-1	3	363.277	1.668	20	10		FDCDHM
C[N-]S(=O)(=O)c1ccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)cn1	ZINC000184058815	536088150	/nfs/dbraw/zinc/08/81/50/536088150.db2.gz	WWWPPWASDZGPJE-UHFFFAOYSA-N	-1	3	362.455	1.328	20	10		FDCDHM
COC(=O)[C@H]1[C@@H](O)CCCN1Cc1cc(Br)cc(C)c1[O-]	ZINC000188787784	536949859	/nfs/dbraw/zinc/94/98/59/536949859.db2.gz	DTDAMQFJRFCAHX-QWHCGFSZSA-N	-1	3	358.232	1.961	20	10		FDCDHM
C[C@@H]1C[C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CN1C1CC1	ZINC000267858335	537000639	/nfs/dbraw/zinc/00/06/39/537000639.db2.gz	HZPFXMDRYVMDDG-PWSUYJOCSA-N	-1	3	353.444	1.119	20	10		FDCDHM
Cc1ncc(S(=O)(=O)[N-]Cc2ccc(N3CCOCC3)c(F)c2)s1	ZINC000269935283	537030949	/nfs/dbraw/zinc/03/09/49/537030949.db2.gz	DOGVJEZCMOKUIW-UHFFFAOYSA-N	-1	3	371.459	1.906	20	10		FDCDHM
C[C@@H](CC(=O)c1ccco1)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000271344199	537424821	/nfs/dbraw/zinc/42/48/21/537424821.db2.gz	GQOVYHWOVWERPC-JTQLQIEISA-N	-1	3	366.395	1.748	20	10		FDCDHM
COC[C@@]1(C(=O)OC)CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1	ZINC000295101551	537710889	/nfs/dbraw/zinc/71/08/89/537710889.db2.gz	SWYVYBXKUFJLHR-OAHLLOKOSA-N	-1	3	358.778	1.965	20	10		FDCDHM
CC1(C)CN(C(=O)Cn2cc(NCc3cccc(F)c3[O-])cn2)CCO1	ZINC000365390514	568595805	/nfs/dbraw/zinc/59/58/05/568595805.db2.gz	CKOPYPRQZPSPFS-UHFFFAOYSA-N	-1	3	362.405	1.977	20	10		FDCDHM
Cc1cc(C(=O)O[C@@H]2CCNC2=O)c(C)n1-c1ccc(-c2nn[n-]n2)cc1	ZINC000822184699	607262075	/nfs/dbraw/zinc/26/20/75/607262075.db2.gz	ZSZFBMPNCZFDMZ-OAHLLOKOSA-N	-1	3	366.381	1.320	20	10		FDCDHM
COC(=O)[C@H](C)OC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C	ZINC000736890778	598623232	/nfs/dbraw/zinc/62/32/32/598623232.db2.gz	DWZLNYZFYVCHCZ-LBPRGKRZSA-N	-1	3	369.381	1.993	20	10		FDCDHM
CC1(C)C[C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C(C)(C)O1	ZINC000272526947	674454588	/nfs/dbraw/zinc/45/45/88/674454588.db2.gz	SRQLTEFYOVSUMX-ZDUSSCGKSA-N	-1	3	356.444	1.840	20	10		FDCDHM
CNC(=O)c1cncc(C=CC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)c1	ZINC000826073612	607442594	/nfs/dbraw/zinc/44/25/94/607442594.db2.gz	YZFAKIBFEWJNCF-BAQGIRSFSA-N	-1	3	363.381	1.298	20	10		FDCDHM
CNC(=O)c1cncc(C=CC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)c1	ZINC000826073612	607442595	/nfs/dbraw/zinc/44/25/95/607442595.db2.gz	YZFAKIBFEWJNCF-BAQGIRSFSA-N	-1	3	363.381	1.298	20	10		FDCDHM
COc1ccc(N2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)cc1	ZINC000821831788	606245281	/nfs/dbraw/zinc/24/52/81/606245281.db2.gz	MMYZGEROASKABU-UHFFFAOYSA-N	-1	3	353.386	1.166	20	10		FDCDHM
COc1ccc(N2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)cc1	ZINC000821831788	606245282	/nfs/dbraw/zinc/24/52/82/606245282.db2.gz	MMYZGEROASKABU-UHFFFAOYSA-N	-1	3	353.386	1.166	20	10		FDCDHM
C[C@H](CN1CCOCC1)C(=O)NCc1cccc(Br)c1[O-]	ZINC000277467865	674949459	/nfs/dbraw/zinc/94/94/59/674949459.db2.gz	HNXZQGGFBPBHGW-LLVKDONJSA-N	-1	3	357.248	1.739	20	10		FDCDHM
COCCCNC(=O)[C@H](C)N1CCN(Cc2cc(Cl)ccc2[O-])CC1	ZINC000093057095	671519970	/nfs/dbraw/zinc/51/99/70/671519970.db2.gz	BEYIPCUNYBBTDP-AWEZNQCLSA-N	-1	3	369.893	1.704	20	10		FDCDHM
COC(=O)C1CC2(C1)C[C@H](NC(=O)NCc1c([O-])cccc1F)CCO2	ZINC000924050094	774675356	/nfs/dbraw/zinc/67/53/56/774675356.db2.gz	FZRUPZAVEJABNO-BJCXPLBRSA-N	-1	3	366.389	1.831	20	10		FDCDHM
CNC(=O)CN1CCC(NC(=O)NCc2cccc(Cl)c2[O-])CC1	ZINC000891927857	780237001	/nfs/dbraw/zinc/23/70/01/780237001.db2.gz	YQKDZIYWHIEMDB-UHFFFAOYSA-N	-1	3	354.838	1.055	20	10		FDCDHM
Cc1ccc(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)c([O-])c1	ZINC000918338289	884321661	/nfs/dbraw/zinc/32/16/61/884321661.db2.gz	NPSMYTPTOSOISR-UHFFFAOYSA-N	-1	3	374.462	1.865	20	10		FDCDHM
COc1ccc(N2CCN(C(=O)c3cc(=O)[n-]c(N(C)C)n3)CC2)cc1	ZINC000765183843	906505010	/nfs/dbraw/zinc/50/50/10/906505010.db2.gz	CFCCEQIAORVOKM-UHFFFAOYSA-N	-1	3	357.414	1.219	20	10		FDCDHM
COC(=O)CN(CC(=O)N1CCO[C@H](C)C1)Cc1cc(Cl)ccc1[O-]	ZINC000731846634	918672724	/nfs/dbraw/zinc/67/27/24/918672724.db2.gz	OMVWDJXBVPVUCM-GFCCVEGCSA-N	-1	3	370.833	1.268	20	10		FDCDHM
C[C@@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])Oc1ccccc1	ZINC000733806681	922036266	/nfs/dbraw/zinc/03/62/66/922036266.db2.gz	JGEBQLLOOOUJOW-LBPRGKRZSA-N	-1	3	364.423	1.961	20	10		FDCDHM
CC(C)(NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C1CCOCC1	ZINC000787805619	932407780	/nfs/dbraw/zinc/40/77/80/932407780.db2.gz	IQXOCPIKMQSHLZ-UHFFFAOYSA-N	-1	3	356.444	1.699	20	10		FDCDHM
CN(C)c1nc(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cs1	ZINC000746893278	933469866	/nfs/dbraw/zinc/46/98/66/933469866.db2.gz	CTIWHLINSUMJKQ-UHFFFAOYSA-N	-1	3	370.456	1.216	20	10		FDCDHM
O=C(CNC(=O)c1cccc(O)c1[O-])Nc1ccc(-n2cccn2)cc1	ZINC000790626375	933648220	/nfs/dbraw/zinc/64/82/20/933648220.db2.gz	HCCCCPTZVIENEZ-UHFFFAOYSA-N	-1	3	352.350	1.652	20	10		FDCDHM
CN(c1ccc(CNC(=O)c2cccc(O)c2[O-])cc1)S(C)(=O)=O	ZINC000790705898	933693849	/nfs/dbraw/zinc/69/38/49/933693849.db2.gz	ZMOYIKBARPGYCQ-UHFFFAOYSA-N	-1	3	350.396	1.424	20	10		FDCDHM
CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccc(O)c1[O-]	ZINC000790767670	933713521	/nfs/dbraw/zinc/71/35/21/933713521.db2.gz	HXVLLUMWRVHELL-HNNXBMFYSA-N	-1	3	353.378	1.666	20	10		FDCDHM
COc1cc(C[C@H](CO)CNC(=O)c2cccc(O)c2[O-])cc(OC)c1	ZINC000790872928	933765317	/nfs/dbraw/zinc/76/53/17/933765317.db2.gz	BNVNMQNHKNDFRY-ZDUSSCGKSA-N	-1	3	361.394	1.696	20	10		FDCDHM
CCOC(=O)CN(Cc1ccccc1O)C(=O)Cc1c(C)nc(C)[n-]c1=O	ZINC000819693649	943718746	/nfs/dbraw/zinc/71/87/46/943718746.db2.gz	REZDDDJMQGOEIV-UHFFFAOYSA-N	-1	3	373.409	1.639	20	10		FDCDHM
O=C(c1cccc(O)c1[O-])N(Cc1cccnc1)[C@@H]1CCS(=O)(=O)C1	ZINC001136959117	946868366	/nfs/dbraw/zinc/86/83/66/946868366.db2.gz	VEYWNVGDZQAQFK-CYBMUJFWSA-N	-1	3	362.407	1.322	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCO[C@]3(CCSC3)C2)c1	ZINC000843946320	947483063	/nfs/dbraw/zinc/48/30/63/947483063.db2.gz	MSGDOGDHVSTQAR-OAHLLOKOSA-N	-1	3	372.468	1.112	20	10		FDCDHM
CC[C@@H](C)C[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C(=O)OC	ZINC000843940777	947522292	/nfs/dbraw/zinc/52/22/92/947522292.db2.gz	WJQWLQBDQNYQFX-MFKMUULPSA-N	-1	3	372.443	1.471	20	10		FDCDHM
CCOC(=O)[C@H]1Cn2nccc2[C@H](C)N(C(=O)c2cccc(O)c2[O-])C1	ZINC001148218923	952651934	/nfs/dbraw/zinc/65/19/34/952651934.db2.gz	OENNLSOIDTXJIF-NWDGAFQWSA-N	-1	3	359.382	1.691	20	10		FDCDHM
O=C(c1cc(O)c([O-])c(O)c1)N1CCc2onc(Cn3cccn3)c2C1	ZINC001148584325	952757726	/nfs/dbraw/zinc/75/77/26/952757726.db2.gz	SCJUNPVAAFNPLA-UHFFFAOYSA-N	-1	3	356.338	1.235	20	10		FDCDHM
COc1cccc(O)c1CN[C@H]1CCN([C@H](C(=O)[O-])c2ccccc2)C1=O	ZINC001594131883	958684463	/nfs/dbraw/zinc/68/44/63/958684463.db2.gz	SVCRPMOWDDAJQA-YJBOKZPZSA-N	-1	3	370.405	1.917	20	10		FDCDHM
Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)N3CCN(C)CC3)cc12	ZINC001184354268	963558839	/nfs/dbraw/zinc/55/88/39/963558839.db2.gz	DGMYNPALULWWLU-UHFFFAOYSA-N	-1	3	359.426	1.013	20	10		FDCDHM
CCCN(Cc1ccc([N+](=O)[O-])c(OC)c1[O-])[C@@H]1CCS(=O)(=O)C1	ZINC000774823216	963816476	/nfs/dbraw/zinc/81/64/76/963816476.db2.gz	QTZJCOYXCRJGDU-GFCCVEGCSA-N	-1	3	358.416	1.708	20	10		FDCDHM
CN(C)c1ccc(CN(C)S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cc1	ZINC001185593786	963995742	/nfs/dbraw/zinc/99/57/42/963995742.db2.gz	VIWVGABNIPVUSZ-UHFFFAOYSA-N	-1	3	372.454	1.753	20	10		FDCDHM
CN(C)c1ccc(CN(C)S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cc1	ZINC001185593786	963995745	/nfs/dbraw/zinc/99/57/45/963995745.db2.gz	VIWVGABNIPVUSZ-UHFFFAOYSA-N	-1	3	372.454	1.753	20	10		FDCDHM
CCOC(=O)C(=CNC(=O)c1ccc([O-])c(O)c1Cl)C(=O)OCC	ZINC001193236663	969565453	/nfs/dbraw/zinc/56/54/53/969565453.db2.gz	LTSABUYTPWVTJC-UHFFFAOYSA-N	-1	3	357.746	1.491	20	10		FDCDHM
COCCc1ccc(OC[C@@H](O)CNC(=O)c2cccc(O)c2[O-])cc1	ZINC000855179356	970198555	/nfs/dbraw/zinc/19/85/55/970198555.db2.gz	LDAWMAVBEMKRJZ-AWEZNQCLSA-N	-1	3	361.394	1.456	20	10		FDCDHM
CC(C)(C)OC(=O)NCCCOCCNC(=O)c1cccc(O)c1[O-]	ZINC000863036062	972626408	/nfs/dbraw/zinc/62/64/08/972626408.db2.gz	SNOKNSLIRQRLRM-UHFFFAOYSA-N	-1	3	354.403	1.759	20	10		FDCDHM
CN(C)c1ccc(CNC(=O)CSc2nc3c(cnn3C)c(=O)[n-]2)cc1	ZINC000863363041	972850498	/nfs/dbraw/zinc/85/04/98/972850498.db2.gz	OWAXIQUHFCZUDN-UHFFFAOYSA-N	-1	3	372.454	1.543	20	10		FDCDHM
O=C([O-])c1cnn2c1[nH]c(CN1CC[C@@H](O)[C@H](C3CCCC3)C1)cc2=O	ZINC000851708961	979009119	/nfs/dbraw/zinc/00/91/19/979009119.db2.gz	PAXZKJPHFWUPHW-LSDHHAIUSA-N	-1	3	360.414	1.506	20	10		FDCDHM
Cc1cccc([O-])c1C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	ZINC000858641343	982178366	/nfs/dbraw/zinc/17/83/66/982178366.db2.gz	BPAABOUPGWUAMH-UHFFFAOYSA-N	-1	3	374.462	1.865	20	10		FDCDHM
[O-]c1ccc(Br)cc1CN1CCN(c2nccnn2)CC1	ZINC000862436748	984390817	/nfs/dbraw/zinc/39/08/17/984390817.db2.gz	JWVUOMZPVFJTLV-UHFFFAOYSA-N	-1	3	350.220	1.662	20	10		FDCDHM
C[C@H](NCc1nnc2c(=O)[nH]ccn12)c1cccc(C(F)(F)F)c1[O-]	ZINC000886704590	986488905	/nfs/dbraw/zinc/48/89/05/986488905.db2.gz	JQMGPAPKXALJLH-QMMMGPOBSA-N	-1	3	353.304	1.993	20	10		FDCDHM
CN(C)C(=O)c1c[nH]nc1[C@@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1	ZINC000365757913	988052810	/nfs/dbraw/zinc/05/28/10/988052810.db2.gz	LAKOKVFMKMJAOS-LLVKDONJSA-N	-1	3	358.398	1.543	20	10		FDCDHM
COC(=O)[C@H](NCc1ccc(Br)cc1[O-])c1ccn(C)n1	ZINC000825659109	988606999	/nfs/dbraw/zinc/60/69/99/988606999.db2.gz	UUAJEOSVLJDCGX-CYBMUJFWSA-N	-1	3	354.204	1.892	20	10		FDCDHM
CC(=O)c1cc(F)cc(CN2CCCN(C(=O)[C@@H]3CCCO3)CC2)c1[O-]	ZINC000370168699	989512400	/nfs/dbraw/zinc/51/24/00/989512400.db2.gz	HLFDTOXGJUYQJN-KRWDZBQOSA-N	-1	3	364.417	1.947	20	10		FDCDHM
CC1(C)CN(C(=O)Cn2cc(NC(=O)c3cccc(O)c3[O-])cn2)CCO1	ZINC000365555752	990290637	/nfs/dbraw/zinc/29/06/37/990290637.db2.gz	HMYLEJJUNFYPAY-UHFFFAOYSA-N	-1	3	374.397	1.184	20	10		FDCDHM
CC(C)[C@H]1OCCC[C@@H]1CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000267894145	674027537	/nfs/dbraw/zinc/02/75/37/674027537.db2.gz	VBZSIOSOPQHOEL-MLGOLLRUSA-N	-1	3	370.471	1.945	20	10		FDCDHM
CN(CCc1nccs1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000269883452	674128695	/nfs/dbraw/zinc/12/86/95/674128695.db2.gz	SWXJJBAJFFWGJB-UHFFFAOYSA-N	-1	3	355.441	1.535	20	10		FDCDHM
Cc1cnc(CCN(C)C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])s1	ZINC000270191973	674176063	/nfs/dbraw/zinc/17/60/63/674176063.db2.gz	YDGOWIQYIBJKTM-UHFFFAOYSA-N	-1	3	369.468	1.843	20	10		FDCDHM
O=C(NCCN1CCCOCC1)NCc1cccc(Br)c1[O-]	ZINC000297120458	676424325	/nfs/dbraw/zinc/42/43/25/676424325.db2.gz	OYVSNMKSNUDUAA-UHFFFAOYSA-N	-1	3	372.263	1.676	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N(Cc2ccccn2)C2CC2)c1	ZINC000271242175	674327317	/nfs/dbraw/zinc/32/73/17/674327317.db2.gz	ZCPIJHGJFPGYRL-UHFFFAOYSA-N	-1	3	361.423	1.964	20	10		FDCDHM
CC(C)[C@@H]1C[C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCO1	ZINC000271459198	674344695	/nfs/dbraw/zinc/34/46/95/674344695.db2.gz	XAASSWQLLIPMCT-ABAIWWIYSA-N	-1	3	356.444	1.697	20	10		FDCDHM
C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCc1ccc(N(C)C)cc1	ZINC000056171929	521807915	/nfs/dbraw/zinc/80/79/15/521807915.db2.gz	OAJLLRMAIMZXNO-GFCCVEGCSA-N	-1	3	367.496	1.797	20	10		FDCDHM
O=S(=O)([N-]C1CCN(c2ccc(OC(F)F)cc2)CC1)c1c[nH]cn1	ZINC000121898941	524401639	/nfs/dbraw/zinc/40/16/39/524401639.db2.gz	GAKTVSIQWLKIGK-UHFFFAOYSA-N	-1	3	372.397	1.958	20	10		FDCDHM
COC(=O)C[C@@H]1C(=O)NCCN1Cc1cc(Br)ccc1[O-]	ZINC000159785844	524738719	/nfs/dbraw/zinc/73/87/19/524738719.db2.gz	YFLMCKONDJDADQ-LLVKDONJSA-N	-1	3	357.204	1.018	20	10		FDCDHM
CCN(Cc1cc(Br)ccc1[O-])C(=O)N[C@H]1CCN(C)C1=O	ZINC000175194860	524901010	/nfs/dbraw/zinc/90/10/10/524901010.db2.gz	IEGZRMMPGRIIQM-LBPRGKRZSA-N	-1	3	370.247	1.917	20	10		FDCDHM
O=C(CN1CCOCC1)N1CCN(Cc2c([O-])cccc2Cl)CC1	ZINC000124325999	524957039	/nfs/dbraw/zinc/95/70/39/524957039.db2.gz	DVAYHILCSSLNHY-UHFFFAOYSA-N	-1	3	353.850	1.022	20	10		FDCDHM
Cc1ccc(C(=O)NCc2ccc(N3CCN(C)CC3)nc2)c([O-])c1O	ZINC000177666630	525327571	/nfs/dbraw/zinc/32/75/71/525327571.db2.gz	YZTLTKPWBKBJSP-UHFFFAOYSA-N	-1	3	356.426	1.483	20	10		FDCDHM
Cc1cc(Br)cc(CN(C)CC(=O)N2CCOCC2)c1[O-]	ZINC000179586805	525602756	/nfs/dbraw/zinc/60/27/56/525602756.db2.gz	XGIRWOLBKGIQHL-UHFFFAOYSA-N	-1	3	357.248	1.754	20	10		FDCDHM
COc1cc(Cl)cc(CN2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1[O-]	ZINC000184701065	536176764	/nfs/dbraw/zinc/17/67/64/536176764.db2.gz	OUIOFIDLEUDVOG-HNNXBMFYSA-N	-1	3	367.877	1.793	20	10		FDCDHM
C[N-]S(=O)(=O)c1ccc(C(=O)NCc2ccc3c(c2)CCCN3C)cn1	ZINC000184833603	536186847	/nfs/dbraw/zinc/18/68/47/536186847.db2.gz	XFVXIYQGFMPOFY-UHFFFAOYSA-N	-1	3	374.466	1.302	20	10		FDCDHM
C[C@H]1C[C@@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CN1C1CC1	ZINC000267858329	537000600	/nfs/dbraw/zinc/00/06/00/537000600.db2.gz	HZPFXMDRYVMDDG-CMPLNLGQSA-N	-1	3	353.444	1.119	20	10		FDCDHM
CC(C)C[C@H]1COCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000271343443	537424492	/nfs/dbraw/zinc/42/44/92/537424492.db2.gz	WRTRJRPGFVFYMT-ZDUSSCGKSA-N	-1	3	356.444	1.651	20	10		FDCDHM
Cc1cc(N(C)C)ccc1CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1	ZINC000737269247	599084989	/nfs/dbraw/zinc/08/49/89/599084989.db2.gz	AGUHCYVVSULWAB-UHFFFAOYSA-N	-1	3	372.454	1.720	20	10		FDCDHM
Cc1cc(N(C)C)ccc1CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1	ZINC000737269247	599084992	/nfs/dbraw/zinc/08/49/92/599084992.db2.gz	AGUHCYVVSULWAB-UHFFFAOYSA-N	-1	3	372.454	1.720	20	10		FDCDHM
CN(CCCN1CCN(C)CC1)c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-]	ZINC000737528778	600177803	/nfs/dbraw/zinc/17/78/03/600177803.db2.gz	OJWUQLPTGFJDNM-ALCCZGGFSA-N	-1	3	362.430	1.766	20	10		FDCDHM
COCC[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccco1	ZINC000272875480	674483828	/nfs/dbraw/zinc/48/38/28/674483828.db2.gz	XQOUQJXMWLZRAB-CYBMUJFWSA-N	-1	3	368.411	1.864	20	10		FDCDHM
CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1	ZINC000821615558	606396382	/nfs/dbraw/zinc/39/63/82/606396382.db2.gz	CDQATFJHDHEDMP-UHFFFAOYSA-N	-1	3	370.344	1.309	20	10		FDCDHM
CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1	ZINC000821615558	606396383	/nfs/dbraw/zinc/39/63/83/606396383.db2.gz	CDQATFJHDHEDMP-UHFFFAOYSA-N	-1	3	370.344	1.309	20	10		FDCDHM
O=S(=O)(c1cccc2nonc21)N1CCc2ccc(-c3nnn[n-]3)cc21	ZINC000826496309	607933891	/nfs/dbraw/zinc/93/38/91/607933891.db2.gz	RXBPZCPPRSUYJF-UHFFFAOYSA-N	-1	3	369.366	1.154	20	10		FDCDHM
O=S(=O)(c1cccc2nonc21)N1CCc2ccc(-c3nn[n-]n3)cc21	ZINC000826496309	607933892	/nfs/dbraw/zinc/93/38/92/607933892.db2.gz	RXBPZCPPRSUYJF-UHFFFAOYSA-N	-1	3	369.366	1.154	20	10		FDCDHM
O=C(c1c[nH]nc1-c1cccnc1)N1CCc2ccc(-c3nnn[n-]3)cc21	ZINC000826469764	607962034	/nfs/dbraw/zinc/96/20/34/607962034.db2.gz	RBPDXMBMHICNCR-UHFFFAOYSA-N	-1	3	358.365	1.855	20	10		FDCDHM
O=C(c1c[nH]nc1-c1cccnc1)N1CCc2ccc(-c3nn[n-]n3)cc21	ZINC000826469764	607962035	/nfs/dbraw/zinc/96/20/35/607962035.db2.gz	RBPDXMBMHICNCR-UHFFFAOYSA-N	-1	3	358.365	1.855	20	10		FDCDHM
O=C(C1=CC(=O)CS1)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1	ZINC000826470267	608085132	/nfs/dbraw/zinc/08/51/32/608085132.db2.gz	KHGQHFFCSZHILR-ZDUSSCGKSA-N	-1	3	357.395	1.848	20	10		FDCDHM
COC(=O)C(C)(C)CCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000286620560	675897544	/nfs/dbraw/zinc/89/75/44/675897544.db2.gz	YTYNDTZHUWUIKE-UHFFFAOYSA-N	-1	3	358.416	1.083	20	10		FDCDHM
CC[C@@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C[C@H](C)[S@@]1=O	ZINC000287264086	675914021	/nfs/dbraw/zinc/91/40/21/675914021.db2.gz	KEEANVKDTRVUJD-FNIMQGLVSA-N	-1	3	374.484	1.135	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCc2noc3c2CCCC3)c1	ZINC000288693555	676040994	/nfs/dbraw/zinc/04/09/94/676040994.db2.gz	WHTDJTSJNUBTLJ-UHFFFAOYSA-N	-1	3	365.411	1.561	20	10		FDCDHM
CN(C)Cc1ccnc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1	ZINC000267348322	673294394	/nfs/dbraw/zinc/29/43/94/673294394.db2.gz	MXWAPQFBSJIYFD-UHFFFAOYSA-N	-1	3	364.427	1.473	20	10		FDCDHM
COc1c([O-])c(CN2CCC(CNS(C)(=O)=O)CC2)ccc1[N+](=O)[O-]	ZINC000289592496	676156442	/nfs/dbraw/zinc/15/64/42/676156442.db2.gz	URTDOEWOJPNAQK-UHFFFAOYSA-N	-1	3	373.431	1.070	20	10		FDCDHM
CO[C@@H]1[C@@H](C)[C@@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C12CCC2	ZINC000360012406	676860109	/nfs/dbraw/zinc/86/01/09/676860109.db2.gz	BJIBFUUFDLQSRT-COLVAYQJSA-N	-1	3	368.455	1.697	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCCO[C@@H]3CCC[C@H]32)c1	ZINC000362337245	676915621	/nfs/dbraw/zinc/91/56/21/676915621.db2.gz	SUBDEDHSDTXQJE-UKRRQHHQSA-N	-1	3	354.428	1.547	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC(Oc3ccccc3)C2)c1	ZINC000728970162	810888877	/nfs/dbraw/zinc/88/88/77/810888877.db2.gz	JTIAWFMLOKETIE-UHFFFAOYSA-N	-1	3	362.407	1.667	20	10		FDCDHM
O=C(NCc1c([O-])cccc1F)[C@H]1CS(=O)(=O)C[C@H]1C(F)(F)F	ZINC000928709708	828188439	/nfs/dbraw/zinc/18/84/39/828188439.db2.gz	DOONVDQTSZKDNY-DTWKUNHWSA-N	-1	3	355.309	1.371	20	10		FDCDHM
[O-]c1cc(I)ccc1CN1CC[C@](F)(CO)C1	ZINC001232973772	867184136	/nfs/dbraw/zinc/18/41/36/867184136.db2.gz	ADDKTSLJHCRQQH-GFCCVEGCSA-N	-1	3	351.159	1.903	20	10		FDCDHM
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3ccc(O)cc3[O-])cc2)C1	ZINC000917832316	883823821	/nfs/dbraw/zinc/82/38/21/883823821.db2.gz	STAYLYJSGPVYOD-AWEZNQCLSA-N	-1	3	369.421	1.730	20	10		FDCDHM
O=C(NCc1c([O-])cccc1F)NC[C@H]1CN(Cc2ccncc2)CCO1	ZINC000923465819	889322993	/nfs/dbraw/zinc/32/29/93/889322993.db2.gz	NSMLAMJQNLEMDE-HNNXBMFYSA-N	-1	3	374.416	1.627	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC2C[C@H]3CC[C@@H](C2)S3)c1	ZINC000888362929	909079978	/nfs/dbraw/zinc/07/99/78/909079978.db2.gz	ZVDSOJONDLXSKS-YOGCLGLASA-N	-1	3	356.469	1.920	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H]3COCC[C@@H]32)c1	ZINC000769977944	929780657	/nfs/dbraw/zinc/78/06/57/929780657.db2.gz	GFVBFACLWWKXBT-FZMZJTMJSA-N	-1	3	354.428	1.405	20	10		FDCDHM
O=C(NCCN1CCN(Cc2ccccc2)CC1)c1c(F)ccc(O)c1[O-]	ZINC000789947334	933263689	/nfs/dbraw/zinc/26/36/89/933263689.db2.gz	UQVAWESTXGOLIR-UHFFFAOYSA-N	-1	3	373.428	1.785	20	10		FDCDHM
CC(=O)C(=O)COC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1	ZINC000808503880	940553715	/nfs/dbraw/zinc/55/37/15/940553715.db2.gz	NXAOVACJIRNVOW-KRWDZBQOSA-N	-1	3	369.373	1.955	20	10		FDCDHM
C[C@@]1(C(F)F)CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCO1	ZINC000856499194	971191837	/nfs/dbraw/zinc/19/18/37/971191837.db2.gz	CVJHOXZSDARBIA-AWEZNQCLSA-N	-1	3	364.370	1.260	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC[C@H](c3cccnc3)C2)c1	ZINC000843967613	947547831	/nfs/dbraw/zinc/54/78/31/947547831.db2.gz	PMVHTCZOPXTELY-ZDUSSCGKSA-N	-1	3	361.423	1.788	20	10		FDCDHM
C[C@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])Cc2c[nH]nc21	ZINC001171180624	949213880	/nfs/dbraw/zinc/21/38/80/949213880.db2.gz	GCUIRSGKIPTDAF-VIFPVBQESA-N	-1	3	350.400	1.246	20	10		FDCDHM
O=S(=O)([N-]Cc1ccc(O)c(O)c1)c1cccc(Br)n1	ZINC001196334559	971628108	/nfs/dbraw/zinc/62/81/08/971628108.db2.gz	YUKGTKBUICRHEB-UHFFFAOYSA-N	-1	3	359.201	1.734	20	10		FDCDHM
COc1ccccc1OCCN(C)Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1	ZINC000846238803	950772497	/nfs/dbraw/zinc/77/24/97/950772497.db2.gz	OLPOWCKQGDPPFF-UHFFFAOYSA-N	-1	3	372.381	1.653	20	10		FDCDHM
CNC(=O)c1cc(O[C@@H]2CCCN(C(=O)c3cccc(O)c3[O-])C2)ccn1	ZINC000846652859	951421857	/nfs/dbraw/zinc/42/18/57/951421857.db2.gz	IQFQEFOGZUPUFX-CYBMUJFWSA-N	-1	3	371.393	1.536	20	10		FDCDHM
Cn1cc(N2C[C@@]3(CCN(C(=O)c4cccc(O)c4[O-])C3)CC2=O)cn1	ZINC001148214479	952648619	/nfs/dbraw/zinc/64/86/19/952648619.db2.gz	UCLUZUJYGJAMAC-SFHVURJKSA-N	-1	3	356.382	1.101	20	10		FDCDHM
CC(=O)NC[C@@H]1c2ncn(C(C)C)c2CCN1C(=O)c1cccc(O)c1[O-]	ZINC001148214853	952649516	/nfs/dbraw/zinc/64/95/16/952649516.db2.gz	ZZBMNNRBXSOHBC-OAHLLOKOSA-N	-1	3	372.425	1.751	20	10		FDCDHM
Nc1c(F)cnc(Br)c1NC(=O)c1cc(O)c([O-])c(O)c1	ZINC001148581772	952757167	/nfs/dbraw/zinc/75/71/67/952757167.db2.gz	VTCTWTVRBUCSSM-UHFFFAOYSA-N	-1	3	358.123	1.935	20	10		FDCDHM
CC(=O)N1CCC(n2nccc2NC(=O)c2cc(O)c([O-])c(O)c2)CC1	ZINC001148583088	952757884	/nfs/dbraw/zinc/75/78/84/952757884.db2.gz	SFFOYTGQKZKWKX-UHFFFAOYSA-N	-1	3	360.370	1.436	20	10		FDCDHM
CCS(=O)(=O)c1ccc(OC)c(NC(=O)c2cc(O)c([O-])c(O)c2)c1	ZINC001148587223	952759830	/nfs/dbraw/zinc/75/98/30/952759830.db2.gz	FAKNEPWBWLVENJ-UHFFFAOYSA-N	-1	3	367.379	1.858	20	10		FDCDHM
CCS(=O)(=O)c1ccc(CNC(=O)c2cc(O)c([O-])c(O)c2)cc1	ZINC001148589522	952760691	/nfs/dbraw/zinc/76/06/91/952760691.db2.gz	AFXSFUKLDGPCSY-UHFFFAOYSA-N	-1	3	351.380	1.527	20	10		FDCDHM
C[C@@H](CN(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C(=O)[O-]	ZINC001589023351	955491824	/nfs/dbraw/zinc/49/18/24/955491824.db2.gz	HLGRPULHXNYFRH-XJKSGUPXSA-N	-1	3	350.463	1.717	20	10		FDCDHM
Cc1ccc(NC(=O)NCc2c([O-])cccc2F)cc1S(N)(=O)=O	ZINC001201063759	974952141	/nfs/dbraw/zinc/95/21/41/974952141.db2.gz	KKXVNQAMCPNPMI-UHFFFAOYSA-N	-1	3	353.375	1.809	20	10		FDCDHM
Cc1ccc(S(=O)(=O)NCCNC(=O)c2cccc(O)c2[O-])cc1	ZINC000776327349	975759792	/nfs/dbraw/zinc/75/97/92/975759792.db2.gz	JXVFWQSBJZQZBV-UHFFFAOYSA-N	-1	3	350.396	1.115	20	10		FDCDHM
Cc1nocc1S(=O)(=O)[N-]Cc1ccc(N2CCC(O)CC2)cc1	ZINC000867532325	976321510	/nfs/dbraw/zinc/32/15/10/976321510.db2.gz	UTKJQHUOCDRDON-UHFFFAOYSA-N	-1	3	351.428	1.423	20	10		FDCDHM
COCCn1nnc2c1CCN(Cc1c([O-])cccc1Br)C2	ZINC000862376245	984364688	/nfs/dbraw/zinc/36/46/88/984364688.db2.gz	IFENRKKJQKKLHB-UHFFFAOYSA-N	-1	3	367.247	1.951	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCO[C@@H](C(F)F)CC2)c1	ZINC000870646014	986199663	/nfs/dbraw/zinc/19/96/63/986199663.db2.gz	PQGOAJTXFHSWNT-GFCCVEGCSA-N	-1	3	364.370	1.260	20	10		FDCDHM
C[C@H]1CN(C(=O)Cn2cc(NC(=O)c3cccc(O)c3[O-])cn2)C[C@H](C)O1	ZINC000365598871	987910874	/nfs/dbraw/zinc/91/08/74/987910874.db2.gz	LVMJBLWQRYJTAG-RYUDHWBXSA-N	-1	3	374.397	1.182	20	10		FDCDHM
C[C@H]([NH2+][C@H]1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1)c1ccccc1[O-]	ZINC001593231272	994372781	/nfs/dbraw/zinc/37/27/81/994372781.db2.gz	JAAKUFQZAJVAPE-BBYOUEMTSA-N	-1	3	353.440	1.853	20	10		FDCDHM
C[C@@H]([NH2+]C[C@@]1(CO)COCC2(CCC2)N1C)c1cc(C(=O)[O-])ccc1[O-]	ZINC001593248111	994468728	/nfs/dbraw/zinc/46/87/28/994468728.db2.gz	IZRQCFZMODUQPS-BFUOFWGJSA-N	-1	3	364.442	1.357	20	10		FDCDHM
C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1cc(C(=O)[O-])ccc1[O-]	ZINC001593354023	994986780	/nfs/dbraw/zinc/98/67/80/994986780.db2.gz	IPLPYHBPXQWACL-LERXQTSPSA-N	-1	3	356.444	1.601	20	10		FDCDHM
Cc1ccccc1CC(=O)N1CCN(C(=O)c2cccc(O)c2[O-])CC1	ZINC000192999214	1010582798	/nfs/dbraw/zinc/58/27/98/1010582798.db2.gz	XKAYDPHRBBSZAO-UHFFFAOYSA-N	-1	3	354.406	1.933	20	10		FDCDHM
Cc1nccn1CCCN(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000269600098	674110345	/nfs/dbraw/zinc/11/03/45/674110345.db2.gz	KSMVCWVVFODREL-UHFFFAOYSA-N	-1	3	366.443	1.431	20	10		FDCDHM
CCOC(=O)C1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1	ZINC000055111267	523751033	/nfs/dbraw/zinc/75/10/33/523751033.db2.gz	WYQWUPIUTRDICP-UHFFFAOYSA-N	-1	3	370.427	1.179	20	10		FDCDHM
Cc1nccn1CCCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000055313323	523795318	/nfs/dbraw/zinc/79/53/18/523795318.db2.gz	XTWLMOMHYUVVRY-UHFFFAOYSA-N	-1	3	352.416	1.089	20	10		FDCDHM
CC(=O)c1cc(F)cc(CN2CCCC[C@H]2C(=O)N2CCOCC2)c1[O-]	ZINC000175632448	524984195	/nfs/dbraw/zinc/98/41/95/524984195.db2.gz	ZYWBFHATVCCYFS-KRWDZBQOSA-N	-1	3	364.417	1.947	20	10		FDCDHM
CN(Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C[C@H](O)CN1CCOCC1	ZINC000093583313	524994202	/nfs/dbraw/zinc/99/42/02/524994202.db2.gz	UQSBOSHIWRQVSQ-ZDUSSCGKSA-N	-1	3	359.810	1.079	20	10		FDCDHM
CCOC(=O)[C@H]1CCCN(C(=O)CN(C)Cc2cc(F)ccc2[O-])C1	ZINC000180057687	525656749	/nfs/dbraw/zinc/65/67/49/525656749.db2.gz	JEZCMYPMFKOLNE-ZDUSSCGKSA-N	-1	3	352.406	1.765	20	10		FDCDHM
C[C@@H](NCCS(=O)(=O)NC[C@H]1CCCCO1)c1ccc(F)cc1[O-]	ZINC000186019963	536223653	/nfs/dbraw/zinc/22/36/53/536223653.db2.gz	NOGKDFDZNLBJHP-TZMCWYRMSA-N	-1	3	360.451	1.670	20	10		FDCDHM
CC(=O)c1cc(Cl)cc(CN2CCC[C@@H](CS(N)(=O)=O)C2)c1[O-]	ZINC000267407963	536976417	/nfs/dbraw/zinc/97/64/17/536976417.db2.gz	SNFBPFJOBAPBSK-LLVKDONJSA-N	-1	3	360.863	1.749	20	10		FDCDHM
COCCO[C@H]1C[C@@H](CO)CN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1	ZINC000278568977	537339863	/nfs/dbraw/zinc/33/98/63/537339863.db2.gz	BSFMLTMBKJQBKQ-OCCSQVGLSA-N	-1	3	370.402	1.155	20	10		FDCDHM
CC(C)CS(=O)(=O)N1CCC(NC(=O)c2cccc(O)c2[O-])CC1	ZINC000279864682	537356234	/nfs/dbraw/zinc/35/62/34/537356234.db2.gz	QHUGTTARTDTTHL-UHFFFAOYSA-N	-1	3	356.444	1.278	20	10		FDCDHM
CCOC(=O)[C@H]1CCCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000271339634	537422470	/nfs/dbraw/zinc/42/24/70/537422470.db2.gz	WKLVBUWUURPUMM-CYBMUJFWSA-N	-1	3	370.427	1.322	20	10		FDCDHM
CN(C[C@H]1CCCC[C@H]1O)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000272148098	537534737	/nfs/dbraw/zinc/53/47/37/537534737.db2.gz	ACEYQHUDBFECJC-BXUZGUMPSA-N	-1	3	356.444	1.387	20	10		FDCDHM
COc1cccc(CNC(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)c1O	ZINC000737132445	598321280	/nfs/dbraw/zinc/32/12/80/598321280.db2.gz	YAUQZTDOLCKTTJ-LLVKDONJSA-N	-1	3	369.381	1.665	20	10		FDCDHM
COc1cccc(CNC(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)c1O	ZINC000737132445	598321282	/nfs/dbraw/zinc/32/12/82/598321282.db2.gz	YAUQZTDOLCKTTJ-LLVKDONJSA-N	-1	3	369.381	1.665	20	10		FDCDHM
Cc1cc(C(=O)NCC[C@H](C)O)c(C)n1-c1ccc(-c2nn[n-]n2)cc1	ZINC000737235378	599389328	/nfs/dbraw/zinc/38/93/28/599389328.db2.gz	UDQIPRWKQHCAJM-LBPRGKRZSA-N	-1	3	354.414	1.775	20	10		FDCDHM
CC(C)[C@H](C(=O)NC[C@H](NC(=O)[O-])c1ccc(N(C)C)cc1)N(C)C	ZINC000824055355	604507396	/nfs/dbraw/zinc/50/73/96/604507396.db2.gz	GJQPHNCBFXCUAZ-JKSUJKDBSA-N	-1	3	350.463	1.764	20	10		FDCDHM
C[C@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1ccc(N2CCOCC2)cc1	ZINC000820384462	606263208	/nfs/dbraw/zinc/26/32/08/606263208.db2.gz	FTXFORWVOPCVHM-LBPRGKRZSA-N	-1	3	367.413	1.522	20	10		FDCDHM
C[C@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1ccc(N2CCOCC2)cc1	ZINC000820384462	606263209	/nfs/dbraw/zinc/26/32/09/606263209.db2.gz	FTXFORWVOPCVHM-LBPRGKRZSA-N	-1	3	367.413	1.522	20	10		FDCDHM
O=C(NCc1ccccc1O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl	ZINC000823261513	607181318	/nfs/dbraw/zinc/18/13/18/607181318.db2.gz	LDQYCRASXQEQSP-UHFFFAOYSA-N	-1	3	372.772	1.481	20	10		FDCDHM
O=C(NCc1ccccc1O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl	ZINC000823261513	607181319	/nfs/dbraw/zinc/18/13/19/607181319.db2.gz	LDQYCRASXQEQSP-UHFFFAOYSA-N	-1	3	372.772	1.481	20	10		FDCDHM
Cc1cc(C(=O)N[C@H](CO)C2CC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1	ZINC000826258712	608174196	/nfs/dbraw/zinc/17/41/96/608174196.db2.gz	TWKJKBUEFSTLRV-QGZVFWFLSA-N	-1	3	366.425	1.775	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC[C@@H]([C@@H]3CCOC3)C2)c1	ZINC000366649544	677457317	/nfs/dbraw/zinc/45/73/17/677457317.db2.gz	DGUYCKCBUIOUTP-VXGBXAGGSA-N	-1	3	354.428	1.262	20	10		FDCDHM
CC(=O)c1cc(F)cc(CN2CCCN(S(=O)(=O)C3CC3)CC2)c1[O-]	ZINC000374824825	678092881	/nfs/dbraw/zinc/09/28/81/678092881.db2.gz	NSWOWZJKMWNXNK-UHFFFAOYSA-N	-1	3	370.446	1.734	20	10		FDCDHM
COC(=O)[C@@H]1CN(Cc2c([O-])cccc2Br)CCN1C(C)=O	ZINC001140101885	771796096	/nfs/dbraw/zinc/79/60/96/771796096.db2.gz	CFTTZBJFDLAKFM-ZDUSSCGKSA-N	-1	3	371.231	1.360	20	10		FDCDHM
CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(O)cc3[O-])cc2)CC1	ZINC000276120836	775918459	/nfs/dbraw/zinc/91/84/59/775918459.db2.gz	JRCJGKDUJHSNGV-UHFFFAOYSA-N	-1	3	369.421	1.696	20	10		FDCDHM
O=C(CN1CCCN(Cc2cc(F)cc(F)c2[O-])CC1)N1CCCC1	ZINC000893927578	809818471	/nfs/dbraw/zinc/81/84/71/809818471.db2.gz	DAFABZWCPXLVCK-UHFFFAOYSA-N	-1	3	353.413	1.801	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC(CC(F)(F)F)C2)c1	ZINC000760150497	831868340	/nfs/dbraw/zinc/86/83/40/831868340.db2.gz	RTTDLKOUPSEMSG-UHFFFAOYSA-N	-1	3	352.334	1.788	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCC2(Br)CC2)c1	ZINC000910206878	856982796	/nfs/dbraw/zinc/98/27/96/856982796.db2.gz	ATJODLYLGNPKTR-UHFFFAOYSA-N	-1	3	363.233	1.421	20	10		FDCDHM
COc1ccc(O)c(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1	ZINC000734016746	922804693	/nfs/dbraw/zinc/80/46/93/922804693.db2.gz	CJSSWXUGQGRFEL-UHFFFAOYSA-N	-1	3	366.395	1.408	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCC[C@H]2CCCC[C@H]2O)c1	ZINC000771065116	930411621	/nfs/dbraw/zinc/41/16/21/930411621.db2.gz	OZIAYJRAYRYMCT-IUODEOHRSA-N	-1	3	370.471	1.825	20	10		FDCDHM
CN1CCN(c2ccc(/C=C3/C(=O)[N-]N(c4ccccc4)C3=O)cc2)CC1	ZINC000771525476	930713122	/nfs/dbraw/zinc/71/31/22/930713122.db2.gz	CVLIKKJPXUTJKW-CYVLTUHYSA-N	-1	3	362.433	1.900	20	10		FDCDHM
O=C(NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2)c1cccc(O)c1[O-]	ZINC000790579087	933630805	/nfs/dbraw/zinc/63/08/05/933630805.db2.gz	FHZLZYBYZPZDLV-LBPRGKRZSA-N	-1	3	372.377	1.152	20	10		FDCDHM
O=C(NC[C@H](O)c1cc(Cl)c2c(c1)OCCO2)c1cccc(O)c1[O-]	ZINC000790766730	933712515	/nfs/dbraw/zinc/71/25/15/933712515.db2.gz	DUFNWEXSCIRNNQ-ZDUSSCGKSA-N	-1	3	365.769	1.986	20	10		FDCDHM
COc1cc(NC(=O)CN(C)C(=O)c2cccc(O)c2[O-])cc(OC)c1	ZINC000790868993	933764247	/nfs/dbraw/zinc/76/42/47/933764247.db2.gz	OIDQWHIMLVZHKW-UHFFFAOYSA-N	-1	3	360.366	1.826	20	10		FDCDHM
O=C(NCc1cccc(N2CCCS2(=O)=O)c1)c1cccc(O)c1[O-]	ZINC000790934275	933784347	/nfs/dbraw/zinc/78/43/47/933784347.db2.gz	JJFGYUJCAZYCCV-UHFFFAOYSA-N	-1	3	362.407	1.568	20	10		FDCDHM
COc1cccc(C[N-]S(=O)(=O)c2cnc(NC(C)=O)s2)c1O	ZINC000805012951	938648182	/nfs/dbraw/zinc/64/81/82/938648182.db2.gz	XRHZJEIBJYCBIZ-UHFFFAOYSA-N	-1	3	357.413	1.294	20	10		FDCDHM
CCN(CC)CCS(=O)(=O)NCc1cccc(Br)c1[O-]	ZINC000810076071	940946981	/nfs/dbraw/zinc/94/69/81/940946981.db2.gz	SXHPLQZBILNZRI-UHFFFAOYSA-N	-1	3	365.293	1.916	20	10		FDCDHM
O=C(C(=O)N1CCN(Cc2ccc3ccccc3c2[O-])CC1)N1CCCC1	ZINC000816491898	942221993	/nfs/dbraw/zinc/22/19/93/942221993.db2.gz	BWECZEAPYWFJAJ-UHFFFAOYSA-N	-1	3	367.449	1.812	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCC2SCCS2)c1	ZINC000856220981	970992637	/nfs/dbraw/zinc/99/26/37/970992637.db2.gz	UDXPGSPUEUXAOR-UHFFFAOYSA-N	-1	3	362.498	1.690	20	10		FDCDHM
COc1ccc(N2CC[C@@H](CNC(=O)c3cc(=O)[n-]c(N(C)C)n3)C2)cc1	ZINC000819588665	943637270	/nfs/dbraw/zinc/63/72/70/943637270.db2.gz	NNAJKZZKPZVZRE-ZDUSSCGKSA-N	-1	3	371.441	1.513	20	10		FDCDHM
CCS(=O)(=O)N1CCN(Cc2ccc(Br)cc2[O-])CC1	ZINC000824548189	946557954	/nfs/dbraw/zinc/55/79/54/946557954.db2.gz	JJMJNWHSXOEBSW-UHFFFAOYSA-N	-1	3	363.277	1.622	20	10		FDCDHM
CNS(=O)(=O)C1CCN(Cc2ccc(Br)cc2[O-])CC1	ZINC000824778293	946751027	/nfs/dbraw/zinc/75/10/27/946751027.db2.gz	RMCUNKSSGOEHKK-UHFFFAOYSA-N	-1	3	363.277	1.668	20	10		FDCDHM
O=C1NCC2(CCN(Cc3cc(Br)c(F)cc3[O-])CC2)N1	ZINC001144308380	948621638	/nfs/dbraw/zinc/62/16/38/948621638.db2.gz	XDRJOWQGYOKSDU-UHFFFAOYSA-N	-1	3	358.211	1.941	20	10		FDCDHM
COc1ccc(N2CC[C@H](NC(=O)CNC(=O)c3ccc([O-])cc3)C2)cc1	ZINC000857302351	971707772	/nfs/dbraw/zinc/70/77/72/971707772.db2.gz	OMYRMDZELWBKQL-HNNXBMFYSA-N	-1	3	369.421	1.526	20	10		FDCDHM
C[C@@H](CO)C1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1	ZINC000846474370	951153085	/nfs/dbraw/zinc/15/30/85/951153085.db2.gz	KPQYXOXBNVEHCW-NSHDSACASA-N	-1	3	356.444	1.244	20	10		FDCDHM
Cn1cc(Cl)c(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])n1	ZINC000857523223	971789103	/nfs/dbraw/zinc/78/91/03/971789103.db2.gz	BTSZTDUHBTWOBX-UHFFFAOYSA-N	-1	3	358.807	1.081	20	10		FDCDHM
O=C(c1cccc(O)c1[O-])N1CCC2(C[C@@H](c3cccnc3)C(=O)N2)CC1	ZINC001148214722	952649537	/nfs/dbraw/zinc/64/95/37/952649537.db2.gz	VWDPKXDHDWJGJO-HNNXBMFYSA-N	-1	3	367.405	1.771	20	10		FDCDHM
O=C(Nc1cc(-c2ccccc2)nn1CCO)c1cc(O)c([O-])c(O)c1	ZINC001148582149	952757228	/nfs/dbraw/zinc/75/72/28/952757228.db2.gz	YRNYZUIOCWBGHY-UHFFFAOYSA-N	-1	3	355.350	1.912	20	10		FDCDHM
COc1ccccc1Cn1cncc1CNC(=O)c1cc(O)c([O-])c(O)c1	ZINC001148591106	952761342	/nfs/dbraw/zinc/76/13/42/952761342.db2.gz	UQDSTZYWJXZBAP-UHFFFAOYSA-N	-1	3	369.377	1.987	20	10		FDCDHM
O=C([O-])c1ccc(CNCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1	ZINC000840994534	955580554	/nfs/dbraw/zinc/58/05/54/955580554.db2.gz	UCCXEDUKCXTKLQ-UHFFFAOYSA-N	-1	3	374.462	1.909	20	10		FDCDHM
CC1(C)CCC[C@](CO)(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1	ZINC000862846622	972399507	/nfs/dbraw/zinc/39/95/07/972399507.db2.gz	LRTGKMYMOBTTGS-KRWDZBQOSA-N	-1	3	370.471	1.825	20	10		FDCDHM
COc1c([O-])c(CNCc2cc(=O)n3ccccc3n2)ccc1[N+](=O)[O-]	ZINC001182667390	962376858	/nfs/dbraw/zinc/37/68/58/962376858.db2.gz	WFEMBRFEIUNGCV-UHFFFAOYSA-N	-1	3	356.338	1.607	20	10		FDCDHM
Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)Nc3cncc(O)c3)cc12	ZINC001184357078	963540400	/nfs/dbraw/zinc/54/04/00/963540400.db2.gz	UCIIXCHEQIKMJT-UHFFFAOYSA-N	-1	3	369.377	1.978	20	10		FDCDHM
Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)N3CC4(CN(C)C4)C3)cc12	ZINC001184361292	963541129	/nfs/dbraw/zinc/54/11/29/963541129.db2.gz	OPFNLPKARHAJGK-UHFFFAOYSA-N	-1	3	371.437	1.013	20	10		FDCDHM
CCOC(=O)[C@@H](C)C1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1	ZINC001177190956	963718073	/nfs/dbraw/zinc/71/80/73/963718073.db2.gz	ZKZYYKCECVLOSH-JTQLQIEISA-N	-1	3	370.427	1.035	20	10		FDCDHM
CS(=O)(=O)c1ccc(NCC(=O)NCc2c([O-])cccc2F)cc1	ZINC001178413353	964227594	/nfs/dbraw/zinc/22/75/94/964227594.db2.gz	QZCYUSBXIFZUCO-UHFFFAOYSA-N	-1	3	352.387	1.663	20	10		FDCDHM
COC(=O)CNC(=O)Cc1ccc(NC(=O)c2cccc(O)c2[O-])cc1	ZINC000776626669	967695501	/nfs/dbraw/zinc/69/55/01/967695501.db2.gz	OYLQTMPAUDGGTR-UHFFFAOYSA-N	-1	3	358.350	1.182	20	10		FDCDHM
Cn1ncnc1COc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2)cc1	ZINC000776745285	968940357	/nfs/dbraw/zinc/94/03/57/968940357.db2.gz	VTWRVYPFLOVJOA-UHFFFAOYSA-N	-1	3	360.395	1.901	20	10		FDCDHM
CC(C)(C)OC(=O)N1CC2(C1)C[C@H](NC(=O)c1cccc(O)c1[O-])CO2	ZINC000855598607	970530645	/nfs/dbraw/zinc/53/06/45/970530645.db2.gz	NZAYEHOHCMVTKN-NSHDSACASA-N	-1	3	364.398	1.606	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCc2cc(Cl)ccn2)c1	ZINC000776234089	975235970	/nfs/dbraw/zinc/23/59/70/975235970.db2.gz	CLKQKBBKMSBNDW-UHFFFAOYSA-N	-1	3	355.803	1.742	20	10		FDCDHM
Cc1ccc(S(=O)(=O)[N-]Cc2ccc(N3CCSCC3)cc2)nn1	ZINC000866533609	975761811	/nfs/dbraw/zinc/76/18/11/975761811.db2.gz	SLEVXBPPEAVWPN-UHFFFAOYSA-N	-1	3	364.496	1.817	20	10		FDCDHM
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)C1CS(=O)(=O)C1	ZINC000866763204	976008746	/nfs/dbraw/zinc/00/87/46/976008746.db2.gz	CPZPZNZLQHWMFX-CQSZACIVSA-N	-1	3	372.874	1.171	20	10		FDCDHM
Cc1noc([C@@H](C)N(C)C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])n1	ZINC000848323316	976610500	/nfs/dbraw/zinc/61/05/00/976610500.db2.gz	FSAHOAUWBIXKTP-MRVPVSSYSA-N	-1	3	354.388	1.288	20	10		FDCDHM
O=C([C@@H]1CCCO1)N1CCN(Cc2c([O-])cccc2Br)CC1	ZINC000862212195	984251425	/nfs/dbraw/zinc/25/14/25/984251425.db2.gz	IFHPYPOJEILPCE-HNNXBMFYSA-N	-1	3	369.259	1.978	20	10		FDCDHM
Cn1cc(-c2nc([C@H]3COCCN3C(=O)c3cccc(O)c3[O-])no2)cn1	ZINC000370509696	989796061	/nfs/dbraw/zinc/79/60/61/989796061.db2.gz	VWWIFCGUERDMKJ-GFCCVEGCSA-N	-1	3	371.353	1.095	20	10		FDCDHM
COc1ccc(N2CCN(Cc3nc4c(c(=O)[n-]3)COCC4)CC2)cc1F	ZINC000878181812	993768317	/nfs/dbraw/zinc/76/83/17/993768317.db2.gz	ZGXFJRCPOVZDNB-UHFFFAOYSA-N	-1	3	374.416	1.725	20	10		FDCDHM
COC(=O)CN(CC(=O)N=S(C)(C)=O)Cc1cc(Cl)ccc1[O-]	ZINC000878242549	993825150	/nfs/dbraw/zinc/82/51/50/993825150.db2.gz	LXIHVWWJBHGYRU-UHFFFAOYSA-N	-1	3	362.835	1.275	20	10		FDCDHM
C[C@H](NCC(=O)NCC(=O)N(C)Cc1ccccc1)c1c([O-])cccc1F	ZINC000926963011	996374985	/nfs/dbraw/zinc/37/49/85/996374985.db2.gz	BRVQFBLUATXNKZ-AWEZNQCLSA-N	-1	3	373.428	1.957	20	10		FDCDHM
C[C@@H](NCC(=O)NCC(=O)NCc1ccccc1)c1c([O-])cccc1F	ZINC000926964036	996375673	/nfs/dbraw/zinc/37/56/73/996375673.db2.gz	IMCULIKDWXPTQR-CYBMUJFWSA-N	-1	3	359.401	1.615	20	10		FDCDHM
Cn1cnnc1N1CCN(Cc2ccc(Br)cc2[O-])CC1	ZINC000826534537	996956882	/nfs/dbraw/zinc/95/68/82/996956882.db2.gz	HGOVUVGYCNQEJA-UHFFFAOYSA-N	-1	3	352.236	1.605	20	10		FDCDHM
O=C(/C=C/c1ccc(O)c(O)c1)N1CCN(C(=O)c2ccccc2[O-])CC1	ZINC000779533577	1009859140	/nfs/dbraw/zinc/85/91/40/1009859140.db2.gz	YWGWBJRMEQBXLB-SOFGYWHQSA-N	-1	3	368.389	1.801	20	10		FDCDHM
COC(=O)CCCCCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000055140891	523756063	/nfs/dbraw/zinc/75/60/63/523756063.db2.gz	ZHHNJUINLUIEKW-UHFFFAOYSA-N	-1	3	358.416	1.227	20	10		FDCDHM
CCOC(=O)[C@@H]1CCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1	ZINC000055160329	523756860	/nfs/dbraw/zinc/75/68/60/523756860.db2.gz	AOAHVBINTXMKJL-LLVKDONJSA-N	-1	3	370.427	1.179	20	10		FDCDHM
C[C@@H](C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)S(C)(=O)=O	ZINC000158022604	524386627	/nfs/dbraw/zinc/38/66/27/524386627.db2.gz	ASQIMBAOEPSWSR-FZMZJTMJSA-N	-1	3	374.890	1.559	20	10		FDCDHM
C=CC(=O)NCCC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1	ZINC000153959603	525375146	/nfs/dbraw/zinc/37/51/46/525375146.db2.gz	AXVLGDPHCVCVJT-OAHLLOKOSA-N	-1	3	365.861	1.819	20	10		FDCDHM
C=CC(=O)NCCC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1	ZINC000153959668	525376024	/nfs/dbraw/zinc/37/60/24/525376024.db2.gz	AXVLGDPHCVCVJT-HNNXBMFYSA-N	-1	3	365.861	1.819	20	10		FDCDHM
CC(=O)c1cc(F)cc(CN2CCC(N3CCC[C@H]3C(N)=O)CC2)c1[O-]	ZINC000131173961	525831566	/nfs/dbraw/zinc/83/15/66/525831566.db2.gz	JWPKQPYGDYDCOS-KRWDZBQOSA-N	-1	3	363.433	1.648	20	10		FDCDHM
O=C(CN1CCCC1=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1	ZINC000134262222	526140118	/nfs/dbraw/zinc/14/01/18/526140118.db2.gz	XDCDDYOLZUNBGE-OAHLLOKOSA-N	-1	3	365.861	1.749	20	10		FDCDHM
CNC(=O)[C@@H]1CN(Cc2cc(Br)cc(OC)c2[O-])CCO1	ZINC000182458588	526179685	/nfs/dbraw/zinc/17/96/85/526179685.db2.gz	YTHYSBLXWUAJEU-LBPRGKRZSA-N	-1	3	359.220	1.110	20	10		FDCDHM
CCCN(C(=O)[C@H](C)N(C)Cc1ccccc1[O-])[C@H]1CCS(=O)(=O)C1	ZINC000109771464	526180410	/nfs/dbraw/zinc/18/04/10/526180410.db2.gz	UJBRRSGXIORGFU-HOCLYGCPSA-N	-1	3	368.499	1.638	20	10		FDCDHM
Cc1ccc(C(=O)N2CCC(C(=O)NCc3cccnc3)CC2)c([O-])c1O	ZINC000267599648	536981845	/nfs/dbraw/zinc/98/18/45/536981845.db2.gz	OVKGSHBOZADOBG-UHFFFAOYSA-N	-1	3	369.421	1.970	20	10		FDCDHM
COCCO[C@@H]1C[C@@H](CO)CN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1	ZINC000278568980	537339203	/nfs/dbraw/zinc/33/92/03/537339203.db2.gz	BSFMLTMBKJQBKQ-TZMCWYRMSA-N	-1	3	370.402	1.155	20	10		FDCDHM
CN(C)c1cccnc1CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000290544063	537369685	/nfs/dbraw/zinc/36/96/85/537369685.db2.gz	LVHGHQCIQIFCNB-UHFFFAOYSA-N	-1	3	364.427	1.155	20	10		FDCDHM
Cc1ccc(C(=O)N2CCC(NC(=O)c3cccn3C)CC2)c([O-])c1O	ZINC000365041208	537417070	/nfs/dbraw/zinc/41/70/70/537417070.db2.gz	NDUKITRASYLYPZ-UHFFFAOYSA-N	-1	3	357.410	1.779	20	10		FDCDHM
CC(=O)N1CCN(c2ccc(CNC(=O)c3c([O-])cccc3O)cc2)CC1	ZINC000276456920	537525038	/nfs/dbraw/zinc/52/50/38/537525038.db2.gz	HWPDHKNAMUKTMX-UHFFFAOYSA-N	-1	3	369.421	1.696	20	10		FDCDHM
CCOC(=O)c1ccc(N2CCN(C(=O)c3cccc(O)c3[O-])CC2)nc1	ZINC000275337057	537556223	/nfs/dbraw/zinc/55/62/23/537556223.db2.gz	RVSVMZVNTOQYJA-UHFFFAOYSA-N	-1	3	371.393	1.632	20	10		FDCDHM
CC(=O)c1cc(F)cc(CN2CCCN(S(=O)(=O)N(C)C)CC2)c1[O-]	ZINC000377760958	538015784	/nfs/dbraw/zinc/01/57/84/538015784.db2.gz	OOVVZAZQMIITHU-UHFFFAOYSA-N	-1	3	373.450	1.048	20	10		FDCDHM
COCCN(C(=O)C=Cc1cnccn1)c1ccc(-c2nnn[n-]2)cc1	ZINC000736987937	599203976	/nfs/dbraw/zinc/20/39/76/599203976.db2.gz	HIHIIRNEIQFSEA-DAXSKMNVSA-N	-1	3	351.370	1.350	20	10		FDCDHM
COCCN(C(=O)C=Cc1cnccn1)c1ccc(-c2nn[n-]n2)cc1	ZINC000736987937	599203978	/nfs/dbraw/zinc/20/39/78/599203978.db2.gz	HIHIIRNEIQFSEA-DAXSKMNVSA-N	-1	3	351.370	1.350	20	10		FDCDHM
COc1ccc(N2CCN(C(=O)c3cc(-c4nnn[n-]4)cn3C)CC2)cc1	ZINC000821831594	606209169	/nfs/dbraw/zinc/20/91/69/606209169.db2.gz	FECRZCSIZKNIER-UHFFFAOYSA-N	-1	3	367.413	1.176	20	10		FDCDHM
COc1ccc(N2CCN(C(=O)c3cc(-c4nn[n-]n4)cn3C)CC2)cc1	ZINC000821831594	606209170	/nfs/dbraw/zinc/20/91/70/606209170.db2.gz	FECRZCSIZKNIER-UHFFFAOYSA-N	-1	3	367.413	1.176	20	10		FDCDHM
O=C(c1c[nH]c(-c2nnn[n-]2)c1)N(Cc1ccccc1O)C[C@H]1CCCO1	ZINC000826468792	609199057	/nfs/dbraw/zinc/19/90/57/609199057.db2.gz	HYGDEOWDPAOYTG-CQSZACIVSA-N	-1	3	368.397	1.722	20	10		FDCDHM
O=C(c1c[nH]c(-c2nn[n-]n2)c1)N(Cc1ccccc1O)C[C@H]1CCCO1	ZINC000826468792	609199059	/nfs/dbraw/zinc/19/90/59/609199059.db2.gz	HYGDEOWDPAOYTG-CQSZACIVSA-N	-1	3	368.397	1.722	20	10		FDCDHM
COc1ccc(N2CCN(CC[N-]S(=O)(=O)c3ccco3)CC2)cc1	ZINC000275420301	674622230	/nfs/dbraw/zinc/62/22/30/674622230.db2.gz	CQGLKQXFSGTAAM-UHFFFAOYSA-N	-1	3	365.455	1.389	20	10		FDCDHM
COc1c([O-])c(CN(CCO)CCOCC(F)(F)F)ccc1[N+](=O)[O-]	ZINC000278195014	675104153	/nfs/dbraw/zinc/10/41/53/675104153.db2.gz	INEJRKUXXZKUKA-UHFFFAOYSA-N	-1	3	368.308	1.682	20	10		FDCDHM
COC(=O)CN(CCn1ccc([N+](=O)[O-])n1)Cc1cc(Cl)ccc1[O-]	ZINC000176237623	672112622	/nfs/dbraw/zinc/11/26/22/672112622.db2.gz	LPUICXOKLAJCFP-UHFFFAOYSA-N	-1	3	368.777	1.826	20	10		FDCDHM
CCN1C(=O)[C@@H]2CN(Cc3cc(Br)ccc3[O-])CCN2C1=O	ZINC000362008195	676905694	/nfs/dbraw/zinc/90/56/94/676905694.db2.gz	FGMPYIGLYPJKOX-LBPRGKRZSA-N	-1	3	368.231	1.623	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC[C@H]3OCCC[C@H]3C2)c1	ZINC000363511115	676958854	/nfs/dbraw/zinc/95/88/54/676958854.db2.gz	GSRLWGBDKALYEI-XHDPSFHLSA-N	-1	3	354.428	1.405	20	10		FDCDHM
O=C(NCc1nnc2n1C[C@@H](C(F)(F)F)CC2)c1cccc(O)c1[O-]	ZINC000365597253	677366101	/nfs/dbraw/zinc/36/61/01/677366101.db2.gz	HRURDFGYVQPBHM-QMMMGPOBSA-N	-1	3	356.304	1.744	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2c3ccccc3C[C@H]2O)c1	ZINC000367524811	677493293	/nfs/dbraw/zinc/49/32/93/677493293.db2.gz	OSGKWRNXAQXRHH-HZPDHXFCSA-N	-1	3	362.407	1.152	20	10		FDCDHM
CC(C)[C@@]1(CO)CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1	ZINC000367931820	677496899	/nfs/dbraw/zinc/49/68/99/677496899.db2.gz	YJZIMMBOVRBVFF-INIZCTEOSA-N	-1	3	356.444	1.244	20	10		FDCDHM
CC(=O)c1cc(F)cc(CN2CCN([C@H](C)C(=O)NC3CC3)CC2)c1[O-]	ZINC000177242307	785263014	/nfs/dbraw/zinc/26/30/14/785263014.db2.gz	FMMQYRNTFXQXMD-GFCCVEGCSA-N	-1	3	363.433	1.519	20	10		FDCDHM
C[C@H](NC(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)c1ccc(N(C)C)cc1	ZINC000894283115	815149017	/nfs/dbraw/zinc/14/90/17/815149017.db2.gz	AWJAZYSCFJVYDU-DZGCQCFKSA-N	-1	3	370.457	1.887	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC[C@@H]([C@@H]3CCCO3)C2)c1	ZINC000899625478	846506196	/nfs/dbraw/zinc/50/61/96/846506196.db2.gz	BIWHGTOKGDPHOT-ABAIWWIYSA-N	-1	3	354.428	1.405	20	10		FDCDHM
C[C@H](O[C@@H](C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C(=O)[O-]	ZINC000899855435	846788349	/nfs/dbraw/zinc/78/83/49/846788349.db2.gz	WNPMLDSVRPIVDL-HEHGZKQESA-N	-1	3	351.447	1.350	20	10		FDCDHM
O=C(NCc1cccc(N2CCOCC2)n1)NCc1c([O-])cccc1F	ZINC000922055846	871637653	/nfs/dbraw/zinc/63/76/53/871637653.db2.gz	VWKZFTGAYSSDAW-UHFFFAOYSA-N	-1	3	360.389	1.762	20	10		FDCDHM
CO[C@H]1CS(=O)(=O)C[C@H]1NCc1c([O-])cccc1Br	ZINC000706805237	886654611	/nfs/dbraw/zinc/65/46/11/886654611.db2.gz	SYJXOYZPPHYXOU-PWSUYJOCSA-N	-1	3	350.234	1.056	20	10		FDCDHM
CCn1cc(O[C@@H]2COC[C@@H]2NC(=O)NCc2c([O-])cccc2F)cn1	ZINC000922972119	887635477	/nfs/dbraw/zinc/63/54/77/887635477.db2.gz	RWMSSHLXUNYWRZ-GOEBONIOSA-N	-1	3	364.377	1.393	20	10		FDCDHM
COC[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccco1	ZINC000769938058	929772515	/nfs/dbraw/zinc/77/25/15/929772515.db2.gz	XVERYZDPJMEJJR-LBPRGKRZSA-N	-1	3	354.384	1.474	20	10		FDCDHM
C[C@@H](NC(=O)c1cccc(O)c1[O-])c1cccc(S(=O)(=O)N(C)C)c1	ZINC000790630788	933633077	/nfs/dbraw/zinc/63/30/77/933633077.db2.gz	JXQCRYJZYHTXEW-LLVKDONJSA-N	-1	3	364.423	1.839	20	10		FDCDHM
COC(=O)[C@H](CNC(=O)c1cccc(O)c1[O-])Cc1ccccc1OC	ZINC000790904649	933787906	/nfs/dbraw/zinc/78/79/06/933787906.db2.gz	XBVSVENOYNOSHU-ZDUSSCGKSA-N	-1	3	359.378	1.868	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCOc2ncccc2F)c1	ZINC000747617726	941026761	/nfs/dbraw/zinc/02/67/61/941026761.db2.gz	VEKSBXBJZOPSSY-UHFFFAOYSA-N	-1	3	369.374	1.107	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC[C@H](c3ccncc3)C2)c1	ZINC000816657713	942289663	/nfs/dbraw/zinc/28/96/63/942289663.db2.gz	YDQCHJMUCAMTCX-ZDUSSCGKSA-N	-1	3	361.423	1.788	20	10		FDCDHM
O=C(NCc1ccc(N2CCOCC2)cc1)c1cc(=O)[n-]c(C2CC2)n1	ZINC000816898318	942375224	/nfs/dbraw/zinc/37/52/24/942375224.db2.gz	YBEGJZZIJMJQHZ-UHFFFAOYSA-N	-1	3	354.410	1.826	20	10		FDCDHM
COCc1nc(CNC(=O)NCc2cc(Cl)cc(Cl)c2[O-])n[nH]1	ZINC000821159231	944371458	/nfs/dbraw/zinc/37/14/58/944371458.db2.gz	AUGWSEKORRDDQF-UHFFFAOYSA-N	-1	3	360.201	1.963	20	10		FDCDHM
COc1cccc(CNC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)c1O	ZINC000821867980	945891856	/nfs/dbraw/zinc/89/18/56/945891856.db2.gz	NPFPSQWYKZWBJS-UHFFFAOYSA-N	-1	3	372.360	1.719	20	10		FDCDHM
COc1cccc(CNC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)c1O	ZINC000821867980	945891875	/nfs/dbraw/zinc/89/18/75/945891875.db2.gz	NPFPSQWYKZWBJS-UHFFFAOYSA-N	-1	3	372.360	1.719	20	10		FDCDHM
O=C([C@@H]1CCCO1)N1CCN(Cc2ccc(Br)cc2[O-])CC1	ZINC000824522530	946501194	/nfs/dbraw/zinc/50/11/94/946501194.db2.gz	QRCMPFHQENQJCM-HNNXBMFYSA-N	-1	3	369.259	1.978	20	10		FDCDHM
CC[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C(=O)OC(C)(C)C	ZINC000844090916	947708040	/nfs/dbraw/zinc/70/80/40/947708040.db2.gz	BUGPLNQRMQLWGO-LBPRGKRZSA-N	-1	3	372.443	1.614	20	10		FDCDHM
O=C(NC1CC1)[C@H]1Cc2ccccc2CN1C(=O)c1cccc(O)c1[O-]	ZINC000846311961	950907047	/nfs/dbraw/zinc/90/70/47/950907047.db2.gz	KFMSSRCBDSJHIT-MRXNPFEDSA-N	-1	3	352.390	1.944	20	10		FDCDHM
CC[C@@H]1CO[C@@H](CC)CN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000846375397	951009976	/nfs/dbraw/zinc/00/99/76/951009976.db2.gz	OXDUHFOTXMAFAO-OLZOCXBDSA-N	-1	3	356.444	1.793	20	10		FDCDHM
O=C(CN1C(=O)CSC1=S)Nc1cc(Br)ccc1[O-]	ZINC001144849556	951214717	/nfs/dbraw/zinc/21/47/17/951214717.db2.gz	CIVNZVCLUBKWQB-UHFFFAOYSA-N	-1	3	361.242	1.954	20	10		FDCDHM
CN(C)c1ccc([C@H](CNC(=O)C2(C(=O)[O-])CCOCC2)N(C)C)cc1	ZINC001593709007	954170342	/nfs/dbraw/zinc/17/03/42/954170342.db2.gz	OZSPVECRPRIMLJ-INIZCTEOSA-N	-1	3	363.458	1.353	20	10		FDCDHM
COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)c1cccc(O)c1[O-]	ZINC000776647278	967867013	/nfs/dbraw/zinc/86/70/13/967867013.db2.gz	FDGXAAFOYOQDPP-UHFFFAOYSA-N	-1	3	372.377	1.973	20	10		FDCDHM
CS(=O)(=O)[C@@H]1CN(C(=O)c2cccc(O)c2[O-])C[C@H]1C(F)(F)F	ZINC000855331943	970292355	/nfs/dbraw/zinc/29/23/55/970292355.db2.gz	AGVVTCNNRXVGKH-PSASIEDQSA-N	-1	3	353.318	1.145	20	10		FDCDHM
COc1cc(Cl)cc(C[NH2+][C@H]2CCCCN(CC(=O)[O-])C2=O)c1[O-]	ZINC001604720048	973923016	/nfs/dbraw/zinc/92/30/16/973923016.db2.gz	ROYKRZFPJXXMRD-LBPRGKRZSA-N	-1	3	356.806	1.610	20	10		FDCDHM
CC[S@](C)(=O)=NS(=O)(=O)[N-][C@H](C)Cc1ccc(N(C)C)cc1C	ZINC000867408687	975178821	/nfs/dbraw/zinc/17/88/21/975178821.db2.gz	BEZMSKXFASNKGG-DMZKTXOQSA-N	-1	3	361.533	1.944	20	10		FDCDHM
Cn1cc(S(=O)(=O)[N-]CCc2ccc(N)cc2)c(Br)n1	ZINC000866760750	976004453	/nfs/dbraw/zinc/00/44/53/976004453.db2.gz	GWVNPNCCLBSLDU-UHFFFAOYSA-N	-1	3	359.249	1.286	20	10		FDCDHM
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)C1CS(=O)(=O)C1	ZINC000866763203	976008534	/nfs/dbraw/zinc/00/85/34/976008534.db2.gz	CPZPZNZLQHWMFX-AWEZNQCLSA-N	-1	3	372.874	1.171	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H](C2CC2)[C@@H]2CCCCO2)c1	ZINC000848267928	976552364	/nfs/dbraw/zinc/55/23/64/976552364.db2.gz	WZQACZIESFPNLD-JKSUJKDBSA-N	-1	3	368.455	1.841	20	10		FDCDHM
CO[C@H]1CS(=O)(=O)C[C@H]1NCc1cc(C)cc(Br)c1[O-]	ZINC000850361450	978336487	/nfs/dbraw/zinc/33/64/87/978336487.db2.gz	SAPPZBRALQFDHN-NEPJUHHUSA-N	-1	3	364.261	1.365	20	10		FDCDHM
COCCNC(=O)C1(NCc2cc(Br)cc(F)c2[O-])CC1	ZINC000883145233	981979007	/nfs/dbraw/zinc/97/90/07/981979007.db2.gz	SKDBCLIXFBGBKU-UHFFFAOYSA-N	-1	3	361.211	1.679	20	10		FDCDHM
COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@@H](O)CC1(O)CCC1	ZINC000859189493	982608078	/nfs/dbraw/zinc/60/80/78/982608078.db2.gz	TYTIZBYXXMEVEX-AWEZNQCLSA-N	-1	3	357.834	1.687	20	10		FDCDHM
COC(=O)[C@@H]1CC[C@@H](C(=O)OC)N(Cc2cc(F)cc(C(C)=O)c2[O-])C1	ZINC000859598504	982936620	/nfs/dbraw/zinc/93/66/20/982936620.db2.gz	GJXVPSLROZQYHZ-ABAIWWIYSA-N	-1	3	367.373	1.661	20	10		FDCDHM
COC(=O)[C@H]1CC[C@H](C(=O)OC)CN1Cc1cc(F)cc(C(C)=O)c1[O-]	ZINC000859598507	982936750	/nfs/dbraw/zinc/93/67/50/982936750.db2.gz	GJXVPSLROZQYHZ-XHDPSFHLSA-N	-1	3	367.373	1.661	20	10		FDCDHM
COC(=O)C[C@H]1C(=O)NCCN1Cc1c([O-])cccc1Br	ZINC000862213239	984253142	/nfs/dbraw/zinc/25/31/42/984253142.db2.gz	PTMNAWCMHSFSBK-NSHDSACASA-N	-1	3	357.204	1.018	20	10		FDCDHM
CN1CCN(C(=O)[C@@H]2CC23CCN(C(=O)c2cccc(O)c2[O-])CC3)CC1	ZINC000365933777	988240226	/nfs/dbraw/zinc/24/02/26/988240226.db2.gz	YJQDAOKJOWJWRK-HNNXBMFYSA-N	-1	3	373.453	1.114	20	10		FDCDHM
O=C(NC[C@H]1CCCN(c2nccn3cnnc23)C1)c1cccc(O)c1[O-]	ZINC000365566280	990294220	/nfs/dbraw/zinc/29/42/20/990294220.db2.gz	LTZRVFRULIAKAD-GFCCVEGCSA-N	-1	3	368.397	1.182	20	10		FDCDHM
CN(C)c1ccc([C@H](CNC(=O)c2ccc(C(=O)[O-])n2C)N(C)C)cc1	ZINC001598313313	991289023	/nfs/dbraw/zinc/28/90/23/991289023.db2.gz	INZFDXMXFUVVEI-KRWDZBQOSA-N	-1	3	358.442	1.822	20	10		FDCDHM
CC(=O)c1cc(F)cc(CN2CCn3c(nn(CC(F)F)c3=O)C2)c1[O-]	ZINC000373852584	992487546	/nfs/dbraw/zinc/48/75/46/992487546.db2.gz	VABSOXMZYRMKRO-UHFFFAOYSA-N	-1	3	370.331	1.373	20	10		FDCDHM
O=C(N[C@@H](Cc1ccccc1)CN1CCOCC1)c1cccc(O)c1[O-]	ZINC000188471138	1001903399	/nfs/dbraw/zinc/90/33/99/1001903399.db2.gz	LGBBDXQTMYUWDS-INIZCTEOSA-N	-1	3	356.422	1.771	20	10		FDCDHM
COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@H]1CCC2(COC2)O1	ZINC000929974805	1002683243	/nfs/dbraw/zinc/68/32/43/1002683243.db2.gz	BDUROEJVHVHRIK-CQSZACIVSA-N	-1	3	355.818	1.969	20	10		FDCDHM
CC(=O)c1cc(Cl)cc(CN2CCC3(CC2)C[C@@H](O)CNC3=O)c1[O-]	ZINC000932840820	1005210621	/nfs/dbraw/zinc/21/06/21/1005210621.db2.gz	RSQIVKWBAQTMCM-CQSZACIVSA-N	-1	3	366.845	1.711	20	10		FDCDHM
CCc1noc(CC)c1CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000268032197	674062207	/nfs/dbraw/zinc/06/22/07/674062207.db2.gz	OOVWVXHZWURMFN-UHFFFAOYSA-N	-1	3	367.427	1.807	20	10		FDCDHM
CCNC(=O)NC(=O)CN(CC)Cc1cc(Br)ccc1[O-]	ZINC000076118601	523025726	/nfs/dbraw/zinc/02/57/26/523025726.db2.gz	TVQVIRJTWYMCEV-UHFFFAOYSA-N	-1	3	358.236	1.822	20	10		FDCDHM
CCN(CC)C(=O)CCCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000055256128	523781027	/nfs/dbraw/zinc/78/10/27/523781027.db2.gz	XQVMXUZWZQZZFO-UHFFFAOYSA-N	-1	3	371.459	1.142	20	10		FDCDHM
C[C@@H](C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)S(C)(=O)=O	ZINC000158022300	524387008	/nfs/dbraw/zinc/38/70/08/524387008.db2.gz	ASQIMBAOEPSWSR-SMDDNHRTSA-N	-1	3	374.890	1.559	20	10		FDCDHM
CCN(C(=O)[C@H](C)N(C)Cc1ccccc1[O-])[C@H]1CCS(=O)(=O)C1	ZINC000131589248	525876919	/nfs/dbraw/zinc/87/69/19/525876919.db2.gz	ZFKCLZFQFPNCOW-ZFWWWQNUSA-N	-1	3	354.472	1.248	20	10		FDCDHM
CN(CC(=O)OC(C)(C)C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000263664602	537057382	/nfs/dbraw/zinc/05/73/82/537057382.db2.gz	HNQZJZNQLZICRA-UHFFFAOYSA-N	-1	3	358.416	1.177	20	10		FDCDHM
COC(=O)CN(Cc1nc(N(C)C)no1)Cc1cc(Cl)ccc1[O-]	ZINC000192757067	537232058	/nfs/dbraw/zinc/23/20/58/537232058.db2.gz	KHSWLPQUVDPYIU-UHFFFAOYSA-N	-1	3	354.794	1.670	20	10		FDCDHM
NC(=O)C1CCN(c2ncccc2CNC(=O)c2cccc(O)c2[O-])CC1	ZINC000280373051	537405108	/nfs/dbraw/zinc/40/51/08/537405108.db2.gz	CWGFCDMVVDRNFC-UHFFFAOYSA-N	-1	3	370.409	1.125	20	10		FDCDHM
CC[C@H](N[C@@H](C)c1cc(C(=O)OC)ccc1[O-])C(=O)N1CCOCC1	ZINC000273551281	537469253	/nfs/dbraw/zinc/46/92/53/537469253.db2.gz	GBKKERWJSMXRAK-WFASDCNBSA-N	-1	3	350.415	1.467	20	10		FDCDHM
CCc1noc(C)c1CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000293880868	537615547	/nfs/dbraw/zinc/61/55/47/537615547.db2.gz	KLZSOEHMXFNYLK-UHFFFAOYSA-N	-1	3	353.400	1.553	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C2CC2)C(F)(F)F)c1	ZINC000291931318	537691924	/nfs/dbraw/zinc/69/19/24/537691924.db2.gz	SRVCBFOCJAGZDP-NSHDSACASA-N	-1	3	352.334	1.834	20	10		FDCDHM
CNC(=O)CCNC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C	ZINC000736873786	598611574	/nfs/dbraw/zinc/61/15/74/598611574.db2.gz	LWYAOJDIWCNLTP-UHFFFAOYSA-N	-1	3	367.413	1.140	20	10		FDCDHM
CNC(=O)COC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C	ZINC000736873714	598621612	/nfs/dbraw/zinc/62/16/12/598621612.db2.gz	KPSVPHZOSRLXMB-UHFFFAOYSA-N	-1	3	354.370	1.177	20	10		FDCDHM
CCN1C(=O)C(=Cc2cnc3ccc(-c4nnn[n-]4)cn23)SC1=S	ZINC000736565188	599457100	/nfs/dbraw/zinc/45/71/00/599457100.db2.gz	RRSIKYQGKHZARK-BJMVGYQFSA-N	-1	3	357.424	1.736	20	10		FDCDHM
CCN1C(=O)C(=Cc2cnc3ccc(-c4nn[n-]n4)cn23)SC1=S	ZINC000736565188	599457103	/nfs/dbraw/zinc/45/71/03/599457103.db2.gz	RRSIKYQGKHZARK-BJMVGYQFSA-N	-1	3	357.424	1.736	20	10		FDCDHM
CC(C)[C@@H](C(=O)NC[C@@H](NC(=O)[O-])c1ccc(N(C)C)cc1)N(C)C	ZINC000824055348	605667438	/nfs/dbraw/zinc/66/74/38/605667438.db2.gz	GJQPHNCBFXCUAZ-CVEARBPZSA-N	-1	3	350.463	1.764	20	10		FDCDHM
C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCCc1ccc(O)c(O)c1	ZINC000820542822	607191662	/nfs/dbraw/zinc/19/16/62/607191662.db2.gz	RBAFEAGFOYCSAT-NSHDSACASA-N	-1	3	369.381	1.404	20	10		FDCDHM
C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCCc1ccc(O)c(O)c1	ZINC000820542822	607191663	/nfs/dbraw/zinc/19/16/63/607191663.db2.gz	RBAFEAGFOYCSAT-NSHDSACASA-N	-1	3	369.381	1.404	20	10		FDCDHM
C[C@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccc(N2CCOCC2)cc1	ZINC000824513621	609202204	/nfs/dbraw/zinc/20/22/04/609202204.db2.gz	DJQGCCUQDDQEML-LBPRGKRZSA-N	-1	3	367.413	1.522	20	10		FDCDHM
C[C@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccc(N2CCOCC2)cc1	ZINC000824513621	609202205	/nfs/dbraw/zinc/20/22/05/609202205.db2.gz	DJQGCCUQDDQEML-LBPRGKRZSA-N	-1	3	367.413	1.522	20	10		FDCDHM
CC(C)[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1nncn1C	ZINC000286499889	675896624	/nfs/dbraw/zinc/89/66/24/675896624.db2.gz	RBQHYSAQNWWZRD-CYBMUJFWSA-N	-1	3	367.431	1.019	20	10		FDCDHM
CS(=O)(=O)N[C@H]1CCCN(Cc2cc(Br)ccc2[O-])C1	ZINC000154042295	671913327	/nfs/dbraw/zinc/91/33/27/671913327.db2.gz	DNOMQJDWYKSQDI-LBPRGKRZSA-N	-1	3	363.277	1.668	20	10		FDCDHM
COCCc1nc(CN(CC(=O)OC)Cc2cc(Cl)ccc2[O-])no1	ZINC000289338892	676121951	/nfs/dbraw/zinc/12/19/51/676121951.db2.gz	IYXXQNUVEXBUGL-UHFFFAOYSA-N	-1	3	369.805	1.793	20	10		FDCDHM
COC(=O)CN(CCN1CCN(C)CC1)Cc1cccc(Cl)c1[O-]	ZINC000281431728	675519078	/nfs/dbraw/zinc/51/90/78/675519078.db2.gz	ZQZJMHKMMPEJFX-UHFFFAOYSA-N	-1	3	355.866	1.268	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCOC2CCCCC2)c1	ZINC000299084363	676516320	/nfs/dbraw/zinc/51/63/20/676516320.db2.gz	KZVWBDLFHNVLCY-UHFFFAOYSA-N	-1	3	356.444	1.843	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H]2COc3ccccc3C2)c1	ZINC000364517050	677024496	/nfs/dbraw/zinc/02/44/96/677024496.db2.gz	QYSSNGAOOJGASW-CYBMUJFWSA-N	-1	3	362.407	1.497	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H](n3cccn3)C2)c1	ZINC000365112529	677350310	/nfs/dbraw/zinc/35/03/10/677350310.db2.gz	HPGZCPZXUSOVSK-CYBMUJFWSA-N	-1	3	364.427	1.438	20	10		FDCDHM
Cc1cn2c(n1)CC[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C2	ZINC000368845538	677502042	/nfs/dbraw/zinc/50/20/42/677502042.db2.gz	MRYNWTDHTICCOJ-GFCCVEGCSA-N	-1	3	364.427	1.013	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H](n3ccnc3)C2)c1	ZINC000728609679	785076876	/nfs/dbraw/zinc/07/68/76/785076876.db2.gz	OMSKAJVQHLBJON-ZDUSSCGKSA-N	-1	3	364.427	1.438	20	10		FDCDHM
Cc1nc(C)c(CC(=O)NCc2ccc(N3CCOCC3)cc2)c(=O)[n-]1	ZINC000054284164	827845017	/nfs/dbraw/zinc/84/50/17/827845017.db2.gz	RQFRXOUFPGWKSI-UHFFFAOYSA-N	-1	3	356.426	1.082	20	10		FDCDHM
O=C(NCC(=O)N1CCc2ccccc2C1)NCc1c([O-])cccc1F	ZINC000916209056	881461733	/nfs/dbraw/zinc/46/17/33/881461733.db2.gz	BQODUIXQHPGIQP-UHFFFAOYSA-N	-1	3	357.385	1.915	20	10		FDCDHM
O=C(Nc1cc(N2CCCS2(=O)=O)ccc1[O-])C1=CC(=O)CS1	ZINC000732273433	919290414	/nfs/dbraw/zinc/29/04/14/919290414.db2.gz	WKPUURUGONREFA-UHFFFAOYSA-N	-1	3	354.409	1.952	20	10		FDCDHM
CC[C@](C)(CC(=O)OC)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000769947253	929749476	/nfs/dbraw/zinc/74/94/76/929749476.db2.gz	FVDFADSQRWDLPH-OAHLLOKOSA-N	-1	3	358.416	1.225	20	10		FDCDHM
Cc1cc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c(=O)n(C)c1	ZINC000770024373	929803391	/nfs/dbraw/zinc/80/33/91/929803391.db2.gz	BCXMFHKDPZMZKF-UHFFFAOYSA-N	-1	3	351.384	1.023	20	10		FDCDHM
Cc1ccc(C(=O)Nc2ccccc2C(=O)NCCC(N)=O)c([O-])c1O	ZINC000770483182	930071208	/nfs/dbraw/zinc/07/12/08/930071208.db2.gz	LMEXCSOUDBADKJ-UHFFFAOYSA-N	-1	3	357.366	1.264	20	10		FDCDHM
Cc1ccc(C(=O)Nc2ccccc2-n2ccc(C(N)=O)n2)c([O-])c1O	ZINC000770490327	930076860	/nfs/dbraw/zinc/07/68/60/930076860.db2.gz	LJRJQMRQUOCSSQ-UHFFFAOYSA-N	-1	3	352.350	1.943	20	10		FDCDHM
C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(C(=O)c2cccc(O)c2[O-])CCO1	ZINC000790891850	933773330	/nfs/dbraw/zinc/77/33/30/933773330.db2.gz	NCCFJBYUHPYBHV-SMDDNHRTSA-N	-1	3	366.414	1.852	20	10		FDCDHM
COC(=O)[C@@H](CNC(=O)c1cccc(O)c1[O-])Cc1ccccc1OC	ZINC000790904647	933787824	/nfs/dbraw/zinc/78/78/24/933787824.db2.gz	XBVSVENOYNOSHU-CYBMUJFWSA-N	-1	3	359.378	1.868	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCOC[C@@H]2CC2CCC2)c1	ZINC000819307073	943511604	/nfs/dbraw/zinc/51/16/04/943511604.db2.gz	PTIRWAWKTCPYOD-AWEZNQCLSA-N	-1	3	368.455	1.795	20	10		FDCDHM
CNS(=O)(=O)C[C@@H]1CCCN1Cc1ccc(Br)cc1[O-]	ZINC000824906523	946851736	/nfs/dbraw/zinc/85/17/36/946851736.db2.gz	PPRHVTZMDDYQNT-LBPRGKRZSA-N	-1	3	363.277	1.668	20	10		FDCDHM
COc1c([O-])c(CN2CCC[C@@H](NC(=O)N(C)C)C2)ccc1[N+](=O)[O-]	ZINC000825279967	947103605	/nfs/dbraw/zinc/10/36/05/947103605.db2.gz	VRBMZYLWGVWXSH-GFCCVEGCSA-N	-1	3	352.391	1.545	20	10		FDCDHM
O=C1COCC2(CCN(Cc3cc(Br)c(F)cc3[O-])CC2)N1	ZINC001144292360	948572271	/nfs/dbraw/zinc/57/22/71/948572271.db2.gz	CSAPTDPOVSMIMR-UHFFFAOYSA-N	-1	3	373.222	1.775	20	10		FDCDHM
CN(Cc1noc(C2CC2)n1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000857538976	971794225	/nfs/dbraw/zinc/79/42/25/971794225.db2.gz	MESDDQNODINSPM-UHFFFAOYSA-N	-1	3	366.399	1.296	20	10		FDCDHM
O=C(c1cc(O)c([O-])c(O)c1)N1CCN(c2nccc3occc32)CC1	ZINC001148583788	952757666	/nfs/dbraw/zinc/75/76/66/952757666.db2.gz	BIFXADNFBBESBI-UHFFFAOYSA-N	-1	3	355.350	1.907	20	10		FDCDHM
O=C(Nc1ccc2nnc(C3CCOCC3)n2c1)c1cc(O)c([O-])c(O)c1	ZINC001148583110	952757712	/nfs/dbraw/zinc/75/77/12/952757712.db2.gz	UAQYOIPFVYPSMM-UHFFFAOYSA-N	-1	3	370.365	1.992	20	10		FDCDHM
COC[C@H]1COCCC12CCN(C(=O)c1cc(O)c([O-])c(O)c1)CC2	ZINC001148584106	952757869	/nfs/dbraw/zinc/75/78/69/952757869.db2.gz	OEMABOREHKJWNE-ZDUSSCGKSA-N	-1	3	351.399	1.709	20	10		FDCDHM
CO[C@H]1CS(=O)(=O)C[C@H]1NCc1cc(Br)cc(F)c1[O-]	ZINC000715813121	958480776	/nfs/dbraw/zinc/48/07/76/958480776.db2.gz	MCQUYWQITRLGCK-MNOVXSKESA-N	-1	3	368.224	1.195	20	10		FDCDHM
C[C@]1(O)C=C[C@H](O)C(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])=C1	ZINC001183541066	963097391	/nfs/dbraw/zinc/09/73/91/963097391.db2.gz	ASMKJOOLIOOWIO-KSSFIOAISA-N	-1	3	360.797	1.818	20	10		FDCDHM
Cc1ccc(C(=O)Nc2cnc(N3C[C@H]4CC[C@@H](C3)O4)nc2)c([O-])c1O	ZINC001175979313	963336685	/nfs/dbraw/zinc/33/66/85/963336685.db2.gz	GOHUTQYKAYXKHY-BETUJISGSA-N	-1	3	356.382	1.816	20	10		FDCDHM
Cn1nccc1[C@H]1CCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC001178686995	964365455	/nfs/dbraw/zinc/36/54/55/964365455.db2.gz	OUOMROILWWMBRP-CQSZACIVSA-N	-1	3	364.427	1.475	20	10		FDCDHM
COc1c([O-])c(CN2CC[C@H](NC(=O)NC3CC3)C2)ccc1[N+](=O)[O-]	ZINC000775062508	964883724	/nfs/dbraw/zinc/88/37/24/964883724.db2.gz	AMQBVCMTWSMTNE-LBPRGKRZSA-N	-1	3	350.375	1.345	20	10		FDCDHM
O=C(c1ccccc1-c1nnn[n-]1)N1CCCc2cc(O)c(O)cc2C1	ZINC001186999924	964943015	/nfs/dbraw/zinc/94/30/15/964943015.db2.gz	SKLFBVXWONPPJG-UHFFFAOYSA-N	-1	3	351.366	1.867	20	10		FDCDHM
O=C(c1ccccc1-c1nn[n-]n1)N1CCCc2cc(O)c(O)cc2C1	ZINC001186999924	964943017	/nfs/dbraw/zinc/94/30/17/964943017.db2.gz	SKLFBVXWONPPJG-UHFFFAOYSA-N	-1	3	351.366	1.867	20	10		FDCDHM
COC(=O)CN(CCN1C[C@H]2CC[C@@H](C1)O2)Cc1cc(Cl)ccc1[O-]	ZINC000775982248	974334662	/nfs/dbraw/zinc/33/46/62/974334662.db2.gz	UZKMFDFHPSTFLB-IYBDPMFKSA-N	-1	3	368.861	1.884	20	10		FDCDHM
CN1CCCc2cc(C[N-]S(=O)(=O)N=S3(=O)CCCC3)ccc21	ZINC000866673946	975899268	/nfs/dbraw/zinc/89/92/68/975899268.db2.gz	MYMMEKBLXCTYNM-UHFFFAOYSA-N	-1	3	357.501	1.665	20	10		FDCDHM
CCNC(=O)CN1CCN(Cc2c([O-])cccc2Br)CC1	ZINC000862217790	984258534	/nfs/dbraw/zinc/25/85/34/984258534.db2.gz	SHGWHISXJSLKPK-UHFFFAOYSA-N	-1	3	356.264	1.408	20	10		FDCDHM
O=C(COc1ccccc1)N1CCCN(C(=O)c2cccc(O)c2[O-])CC1	ZINC000366072984	988363420	/nfs/dbraw/zinc/36/34/20/988363420.db2.gz	LVMJISJCGKSMOE-UHFFFAOYSA-N	-1	3	370.405	1.851	20	10		FDCDHM
Cc1nc(CN(C)[C@@H]2CCCN(C(=O)c3cccc(O)c3[O-])CC2)no1	ZINC000369879241	989266859	/nfs/dbraw/zinc/26/68/59/989266859.db2.gz	YBLRYUYLSSRKFR-CYBMUJFWSA-N	-1	3	360.414	1.916	20	10		FDCDHM
CN(C)CCN(CC(=O)N(C)C)c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-]	ZINC001598224564	990909667	/nfs/dbraw/zinc/90/96/67/990909667.db2.gz	MPYPMMBZQASUPA-VURMDHGXSA-N	-1	3	364.402	1.149	20	10		FDCDHM
O=C(c1cccc(O)c1[O-])N1CCN(c2nnnn2-c2ccccc2)CC1	ZINC000373053358	991851278	/nfs/dbraw/zinc/85/12/78/991851278.db2.gz	FQJSDEYKDMMTGX-UHFFFAOYSA-N	-1	3	366.381	1.036	20	10		FDCDHM
CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C=Cc1ccc(O)c(O)c1	ZINC000825971701	993306602	/nfs/dbraw/zinc/30/66/02/993306602.db2.gz	MLJCNOLINMJPLY-VURMDHGXSA-N	-1	3	351.366	1.950	20	10		FDCDHM
CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C=Cc1ccc(O)c(O)c1	ZINC000825971701	993306609	/nfs/dbraw/zinc/30/66/09/993306609.db2.gz	MLJCNOLINMJPLY-VURMDHGXSA-N	-1	3	351.366	1.950	20	10		FDCDHM
COC(=O)CNC(=O)[C@H]1CCCN1Cc1ccc(Br)cc1[O-]	ZINC000826131710	995380595	/nfs/dbraw/zinc/38/05/95/995380595.db2.gz	XZUOPVKLYMXCKM-GFCCVEGCSA-N	-1	3	371.231	1.408	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H](CO)c2ccccc2)c1	ZINC000778407133	1006107775	/nfs/dbraw/zinc/10/77/75/1006107775.db2.gz	GZBJSVVTTIQYNL-CQSZACIVSA-N	-1	3	350.396	1.227	20	10		FDCDHM
CC(C)[C@H]1OCCC[C@H]1CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000267894140	674027813	/nfs/dbraw/zinc/02/78/13/674027813.db2.gz	VBZSIOSOPQHOEL-BLLLJJGKSA-N	-1	3	370.471	1.945	20	10		FDCDHM
CC(=O)NCC(=O)N1CCCN(Cc2cc(Cl)cc(C)c2[O-])CC1	ZINC000529664855	539840141	/nfs/dbraw/zinc/84/01/41/539840141.db2.gz	MLSPPXUWUOWGSB-UHFFFAOYSA-N	-1	3	353.850	1.524	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCCOC2CCCC2)c1	ZINC000061634136	522480018	/nfs/dbraw/zinc/48/00/18/522480018.db2.gz	UBEARTZDNJQVEY-UHFFFAOYSA-N	-1	3	356.444	1.843	20	10		FDCDHM
CC(=O)c1cc(F)cc(CN2CCCN(CC(=O)N(C)C)CC2)c1[O-]	ZINC000079399436	523746368	/nfs/dbraw/zinc/74/63/68/523746368.db2.gz	PLKUAFIRHIDGDS-UHFFFAOYSA-N	-1	3	351.422	1.330	20	10		FDCDHM
CC(=O)c1cc(F)cc(CN2CCN(c3ncccc3C(N)=O)CC2)c1[O-]	ZINC000177270251	525268354	/nfs/dbraw/zinc/26/83/54/525268354.db2.gz	XTXYWMGIHKVGOT-UHFFFAOYSA-N	-1	3	372.400	1.550	20	10		FDCDHM
Cc1ccc(C(=O)NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)c([O-])c1O	ZINC000182945328	535892164	/nfs/dbraw/zinc/89/21/64/535892164.db2.gz	ISMXGUSNSQWCBP-HZPDHXFCSA-N	-1	3	356.422	1.771	20	10		FDCDHM
COCCO[C@@H]1C[C@@H](CO)CN(Cc2cc(F)cc(C(C)=O)c2[O-])C1	ZINC000278257714	537287881	/nfs/dbraw/zinc/28/78/81/537287881.db2.gz	HZLQJLRYLWWOAR-CZUORRHYSA-N	-1	3	355.406	1.580	20	10		FDCDHM
COC(=O)[C@@H]1CCN(Cc2cc(F)cc(C(C)=O)c2[O-])[C@@H](C(=O)OC)C1	ZINC000272619710	537305185	/nfs/dbraw/zinc/30/51/85/537305185.db2.gz	UONVXSANEZTXFO-IAQYHMDHSA-N	-1	3	367.373	1.661	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H]2[C@@H]2CCCO2)c1	ZINC000285863435	537347915	/nfs/dbraw/zinc/34/79/15/537347915.db2.gz	QEXXAUDWLLKQTO-ZFWWWQNUSA-N	-1	3	354.428	1.547	20	10		FDCDHM
Cc1cccc(CCCNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])n1	ZINC000285972876	537393208	/nfs/dbraw/zinc/39/32/08/537393208.db2.gz	OUMICQQEOMEINZ-UHFFFAOYSA-N	-1	3	363.439	1.830	20	10		FDCDHM
C[C@H](NCCS(=O)(=O)N(C)C)c1ccc(Br)cc1[O-]	ZINC000290106706	537672579	/nfs/dbraw/zinc/67/25/79/537672579.db2.gz	IJCOFZYBCXCADM-VIFPVBQESA-N	-1	3	351.266	1.697	20	10		FDCDHM
CNS(=O)(=O)c1cccc2c1CCN(Cc1cc(F)ccc1[O-])C2	ZINC000366923436	537892832	/nfs/dbraw/zinc/89/28/32/537892832.db2.gz	DSCOKVZZZFSYKJ-UHFFFAOYSA-N	-1	3	350.415	1.998	20	10		FDCDHM
CO[C@@H]1[C@H](C)[C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1(C)C	ZINC000271994429	674403551	/nfs/dbraw/zinc/40/35/51/674403551.db2.gz	QMAORSVELJLJDR-BIGNPOOSSA-N	-1	3	356.444	1.553	20	10		FDCDHM
Cc1ccc(C(=O)OCCOc2cccc(-c3nnn[n-]3)c2)c(O)c1O	ZINC000737316800	598409782	/nfs/dbraw/zinc/40/97/82/598409782.db2.gz	FVRHAPZCUAMCPV-UHFFFAOYSA-N	-1	3	356.338	1.822	20	10		FDCDHM
Cc1ccc(C(=O)OCCOc2cccc(-c3nn[n-]n3)c2)c(O)c1O	ZINC000737316800	598409783	/nfs/dbraw/zinc/40/97/83/598409783.db2.gz	FVRHAPZCUAMCPV-UHFFFAOYSA-N	-1	3	356.338	1.822	20	10		FDCDHM
COc1cccc(CNC(=O)COc2ccc(-c3nn[n-]n3)cc2)c1O	ZINC000737131492	598510838	/nfs/dbraw/zinc/51/08/38/598510838.db2.gz	PWARXRPZFGKLJJ-UHFFFAOYSA-N	-1	3	355.354	1.276	20	10		FDCDHM
COc1ccc(N2CCCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)cc1	ZINC000826209068	607702174	/nfs/dbraw/zinc/70/21/74/607702174.db2.gz	LLGXJBKMQJENQN-UHFFFAOYSA-N	-1	3	367.413	1.556	20	10		FDCDHM
COc1ccc(N2CCCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)cc1	ZINC000826209068	607702176	/nfs/dbraw/zinc/70/21/76/607702176.db2.gz	LLGXJBKMQJENQN-UHFFFAOYSA-N	-1	3	367.413	1.556	20	10		FDCDHM
COCCONC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C	ZINC000821693202	606367383	/nfs/dbraw/zinc/36/73/83/606367383.db2.gz	WZQYLDFNYDEFIO-UHFFFAOYSA-N	-1	3	356.386	1.582	20	10		FDCDHM
Cc1noc([C@H]2CCCN2C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])n1	ZINC000286452304	675895853	/nfs/dbraw/zinc/89/58/53/675895853.db2.gz	FUYAGPFQSGGPMI-GFCCVEGCSA-N	-1	3	366.399	1.432	20	10		FDCDHM
CC(C)(C)[C@@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCO1	ZINC000279193069	675256104	/nfs/dbraw/zinc/25/61/04/675256104.db2.gz	CMPPNMLFBNEIPJ-AWEZNQCLSA-N	-1	3	356.444	1.651	20	10		FDCDHM
O=C(NC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1cccc(O)c1[O-]	ZINC000279345403	675279905	/nfs/dbraw/zinc/27/99/05/675279905.db2.gz	RMCPHJRXWSIKAB-UHFFFAOYSA-N	-1	3	368.333	1.142	20	10		FDCDHM
C[C@@H](CO)N(CC1CCC1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000280790130	675457153	/nfs/dbraw/zinc/45/71/53/675457153.db2.gz	KXTWCRDKLOSPMG-NSHDSACASA-N	-1	3	356.444	1.387	20	10		FDCDHM
Cc1ncsc1C(=O)NC1CCN(C(=O)c2cccc(O)c2[O-])CC1	ZINC000363951417	676980787	/nfs/dbraw/zinc/98/07/87/676980787.db2.gz	YSXOLJJZYPRCBZ-UHFFFAOYSA-N	-1	3	361.423	1.897	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCOC[C@@H]2c2ccco2)c1	ZINC000364849381	677056348	/nfs/dbraw/zinc/05/63/48/677056348.db2.gz	GXUNRKZBRNROTE-CYBMUJFWSA-N	-1	3	366.395	1.570	20	10		FDCDHM
COC(=O)[C@H]1CCCCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000371581818	677731182	/nfs/dbraw/zinc/73/11/82/677731182.db2.gz	SHQJONHPQJIXKM-CYBMUJFWSA-N	-1	3	370.427	1.322	20	10		FDCDHM
COc1ccc([C@@H](CNC(=O)c2cccc(O)c2[O-])N2CCOCC2)cc1	ZINC000274884976	770954047	/nfs/dbraw/zinc/95/40/47/770954047.db2.gz	JTJHRNULDPTZMK-QGZVFWFLSA-N	-1	3	372.421	1.910	20	10		FDCDHM
CN1CCN(C(=O)Cc2cccc(NC(=O)c3cccc(O)c3[O-])c2)CC1	ZINC000279054626	808218058	/nfs/dbraw/zinc/21/80/58/808218058.db2.gz	BKPULVAQAFQIDS-UHFFFAOYSA-N	-1	3	369.421	1.667	20	10		FDCDHM
Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NCCc1ccc(O)c(O)c1	ZINC000157973177	863964650	/nfs/dbraw/zinc/96/46/50/863964650.db2.gz	JIJHNBBHSDHFPI-UHFFFAOYSA-N	-1	3	368.393	1.523	20	10		FDCDHM
CCS(=O)(=O)N1CCC(NC(=O)NCc2c([O-])cccc2F)CC1	ZINC000914000331	870303604	/nfs/dbraw/zinc/30/36/04/870303604.db2.gz	ALBOWYVCAHQFQE-UHFFFAOYSA-N	-1	3	359.423	1.145	20	10		FDCDHM
O=C(NCc1c([O-])cccc1F)NC[C@@H](N1CCOCC1)C(F)(F)F	ZINC000922463626	878271732	/nfs/dbraw/zinc/27/17/32/878271732.db2.gz	ORNPNEYUHRFUOX-CYBMUJFWSA-N	-1	3	365.327	1.594	20	10		FDCDHM
C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C(=O)OC(C)(C)C	ZINC000764192538	903987173	/nfs/dbraw/zinc/98/71/73/903987173.db2.gz	ODXNUBWSDWEVCO-SECBINFHSA-N	-1	3	358.416	1.224	20	10		FDCDHM
C[C@H](NC(=O)c1cc(=O)[n-]c(N(C)C)n1)c1ccc(N2CCOCC2)cc1	ZINC000765250914	906617578	/nfs/dbraw/zinc/61/75/78/906617578.db2.gz	HSJBBHQGTRYHGS-ZDUSSCGKSA-N	-1	3	371.441	1.576	20	10		FDCDHM
Cc1ccc2[nH]c(CNC(=O)c3cc(NS(C)(=O)=O)ccc3[O-])nc2c1	ZINC000769931540	929767659	/nfs/dbraw/zinc/76/76/59/929767659.db2.gz	KFTQNRUKPKMGPW-UHFFFAOYSA-N	-1	3	374.422	1.878	20	10		FDCDHM
Cc1ccc2nc(CNC(=O)c3cc(NS(C)(=O)=O)ccc3[O-])[nH]c2c1	ZINC000769931540	929767662	/nfs/dbraw/zinc/76/76/62/929767662.db2.gz	KFTQNRUKPKMGPW-UHFFFAOYSA-N	-1	3	374.422	1.878	20	10		FDCDHM
Cc1cc(Br)c([O-])c(CN2CCC[C@]3(C2)NC(=O)NC3=O)c1	ZINC000789767272	933169875	/nfs/dbraw/zinc/16/98/75/933169875.db2.gz	AOMQIDPQIFYDMM-OAHLLOKOSA-N	-1	3	368.231	1.637	20	10		FDCDHM
CCNS(=O)(=O)c1ccc(CNC(=O)c2cccc(O)c2[O-])cc1	ZINC000790895762	933775232	/nfs/dbraw/zinc/77/52/32/933775232.db2.gz	KIFRZUBQYVAWOW-UHFFFAOYSA-N	-1	3	350.396	1.326	20	10		FDCDHM
CO[C@@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C1CCCC1	ZINC000856154470	970949743	/nfs/dbraw/zinc/94/97/43/970949743.db2.gz	LQVDHTGVXJHFMF-HNNXBMFYSA-N	-1	3	356.444	1.699	20	10		FDCDHM
COC(=O)[C@@H](CC(C)(C)C)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000844007950	947602732	/nfs/dbraw/zinc/60/27/32/947602732.db2.gz	QMUCIIQWWYZSLY-GFCCVEGCSA-N	-1	3	372.443	1.471	20	10		FDCDHM
O=S(=O)([N-]CCc1ccc(O)c(O)c1)c1cccc(Br)n1	ZINC001196327410	971622048	/nfs/dbraw/zinc/62/20/48/971622048.db2.gz	MRCFLDVDBLLFCN-UHFFFAOYSA-N	-1	3	373.228	1.776	20	10		FDCDHM
CCN1C[C@@H](CN(CC(=O)OC)Cc2cc(Cl)ccc2[O-])OC1=O	ZINC000846824159	951594957	/nfs/dbraw/zinc/59/49/57/951594957.db2.gz	IUGWDFXEWZLIGK-CYBMUJFWSA-N	-1	3	356.806	1.861	20	10		FDCDHM
C[C@@H]1CCCN1C(=O)c1n[nH]c2c1CN(C(=O)c1cccc(O)c1[O-])CC2	ZINC001148213507	952648394	/nfs/dbraw/zinc/64/83/94/952648394.db2.gz	DLPFXROEHOLDOW-LLVKDONJSA-N	-1	3	370.409	1.644	20	10		FDCDHM
O=C(c1cccc(O)c1[O-])N1CCN(Cc2c[nH]c3ncccc23)CC1	ZINC001148214831	952649369	/nfs/dbraw/zinc/64/93/69/952649369.db2.gz	ZDWDWNILLLNHSA-UHFFFAOYSA-N	-1	3	352.394	1.932	20	10		FDCDHM
O=C(Nc1ccc(S(=O)(=O)CCCO)cc1)c1cccc(O)c1[O-]	ZINC001148218758	952651818	/nfs/dbraw/zinc/65/18/18/952651818.db2.gz	KOOAOWZAKAPCAJ-UHFFFAOYSA-N	-1	3	351.380	1.506	20	10		FDCDHM
O=C(Nc1ccccc1)N1CCN(C(=O)c2cc(O)c([O-])c(O)c2)CC1	ZINC001148584581	952757591	/nfs/dbraw/zinc/75/75/91/952757591.db2.gz	UVKRZTGXIHKLIJ-UHFFFAOYSA-N	-1	3	357.366	1.793	20	10		FDCDHM
C[C@H]1CC(=O)NN=C1c1ccc(NC(=O)c2cc(O)c([O-])c(O)c2)cc1	ZINC001148585903	952759095	/nfs/dbraw/zinc/75/90/95/952759095.db2.gz	DCLKOWIWSKEXRF-VIFPVBQESA-N	-1	3	355.350	1.916	20	10		FDCDHM
COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)/C=C/c1ccc(O)c(O)c1	ZINC001179683718	964956108	/nfs/dbraw/zinc/95/61/08/964956108.db2.gz	SZYJRJRWTAUFDH-GQCTYLIASA-N	-1	3	360.322	1.651	20	10		FDCDHM
COC(=O)[C@H](C)NC(=O)Nc1ccc([O-])c2c1C(=O)c1ccccc1C2=O	ZINC001190549229	967945050	/nfs/dbraw/zinc/94/50/50/967945050.db2.gz	ZMUOYLPAFMDURY-VIFPVBQESA-N	-1	3	368.345	1.851	20	10		FDCDHM
Cn1ncc(NC(=O)c2ccc([O-])c(O)c2Cl)c(Br)c1=O	ZINC001193255162	969582549	/nfs/dbraw/zinc/58/25/49/969582549.db2.gz	QKFBVUNQARVXRE-UHFFFAOYSA-N	-1	3	374.578	1.860	20	10		FDCDHM
Cc1nocc1S(=O)(=O)[N-]Cc1ccc(N2CCOCC2)c(F)c1	ZINC000866542496	975769485	/nfs/dbraw/zinc/76/94/85/975769485.db2.gz	IKIJHTATQZFYDS-UHFFFAOYSA-N	-1	3	355.391	1.437	20	10		FDCDHM
CCS(=O)(CC)=NS(=O)(=O)[N-]Cc1ccc(N(C)C)c(F)c1	ZINC000866672357	975896423	/nfs/dbraw/zinc/89/64/23/975896423.db2.gz	KWVXTCWCJIZZCS-UHFFFAOYSA-N	-1	3	351.469	1.734	20	10		FDCDHM
CCOC(=O)CCN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C(C)C	ZINC000848351122	976669919	/nfs/dbraw/zinc/66/99/19/976669919.db2.gz	YZZPHPVKGVKIRY-UHFFFAOYSA-N	-1	3	372.443	1.568	20	10		FDCDHM
Cc1ncc(S(=O)(=O)[N-]Cc2ccc(N3CCC(O)CC3)cc2)s1	ZINC000851844471	979099428	/nfs/dbraw/zinc/09/94/28/979099428.db2.gz	ZJTHKIZDNNZQQZ-UHFFFAOYSA-N	-1	3	367.496	1.891	20	10		FDCDHM
Cc1cc(=O)[n-]c(C(C)(C)NCC(=O)NCc2ccc(N(C)C)cc2)n1	ZINC000852147222	979393845	/nfs/dbraw/zinc/39/38/45/979393845.db2.gz	NZLFSRXTGSLLBY-UHFFFAOYSA-N	-1	3	357.458	1.698	20	10		FDCDHM
CCNS(=O)(=O)[C@@H]1CCN(Cc2c([O-])cccc2Br)C1	ZINC000862303291	984321855	/nfs/dbraw/zinc/32/18/55/984321855.db2.gz	OLGUYBUECKUUER-SNVBAGLBSA-N	-1	3	363.277	1.668	20	10		FDCDHM
CCS(=O)(=O)C[C@H](C)NCc1c2cc(F)ccc2n(C)c1C(=O)[O-]	ZINC001597209755	987125650	/nfs/dbraw/zinc/12/56/50/987125650.db2.gz	IVMPDZGSVXQLMV-JTQLQIEISA-N	-1	3	356.419	1.928	20	10		FDCDHM
C[C@@H]1CN(C(=O)Cn2cc(NC(=O)c3cccc(O)c3[O-])cn2)C[C@@H](C)O1	ZINC000365598873	987910798	/nfs/dbraw/zinc/91/07/98/987910798.db2.gz	LVMJBLWQRYJTAG-VXGBXAGGSA-N	-1	3	374.397	1.182	20	10		FDCDHM
CN(C)c1ccc([C@H](CNC(=O)NCC(C)(C)C(=O)[O-])N(C)C)cc1	ZINC001598313773	991291736	/nfs/dbraw/zinc/29/17/36/991291736.db2.gz	XZQXAPLJCUVHAS-HNNXBMFYSA-N	-1	3	350.463	1.765	20	10		FDCDHM
COc1c([O-])c(CN2C[C@@H](CO)[C@H](C(F)(F)F)C2)ccc1[N+](=O)[O-]	ZINC000877693436	993447864	/nfs/dbraw/zinc/44/78/64/993447864.db2.gz	GMKQAJVAZKBTDM-VHSXEESVSA-N	-1	3	350.293	1.912	20	10		FDCDHM
COc1ccc(N2CCCN(Cc3nc4c(c(=O)[n-]3)COCC4)CC2)cc1	ZINC000877983278	993590177	/nfs/dbraw/zinc/59/01/77/993590177.db2.gz	ILYAONNXIVUHLI-UHFFFAOYSA-N	-1	3	370.453	1.976	20	10		FDCDHM
COCC1(O)CCN(Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])CC1	ZINC001599201876	997321613	/nfs/dbraw/zinc/32/16/13/997321613.db2.gz	SEZGSUYXAWTXRN-UHFFFAOYSA-N	-1	3	350.390	1.989	20	10		FDCDHM
Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)NCc1c([O-])cccc1F	ZINC000928706546	1001632620	/nfs/dbraw/zinc/63/26/20/1001632620.db2.gz	WTIFEGZKQQOUJQ-UHFFFAOYSA-N	-1	3	356.375	1.613	20	10		FDCDHM
O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21)NCc1c([O-])cccc1F	ZINC000928712651	1001633618	/nfs/dbraw/zinc/63/36/18/1001633618.db2.gz	VIGAREQCDIJNDV-INWMFGNUSA-N	-1	3	367.446	1.873	20	10		FDCDHM
CON(Cc1ccccc1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000780784753	1002436148	/nfs/dbraw/zinc/43/61/48/1002436148.db2.gz	QCRUKVPPPUPOGX-UHFFFAOYSA-N	-1	3	350.396	1.968	20	10		FDCDHM
CCN(Cc1cc(Br)ccc1[O-])C(=O)NC[C@@H]1COCCN1	ZINC000529374161	539829754	/nfs/dbraw/zinc/82/97/54/539829754.db2.gz	ILRWSNCEBXVICJ-CYBMUJFWSA-N	-1	3	372.263	1.675	20	10		FDCDHM
CC(=O)NCC(=O)N1CCCN(Cc2c([O-])cc(C)cc2Cl)CC1	ZINC000529664863	539840382	/nfs/dbraw/zinc/84/03/82/539840382.db2.gz	MMFYJYGCQNGYCW-UHFFFAOYSA-N	-1	3	353.850	1.524	20	10		FDCDHM
O=S(=O)(Cc1ccon1)N1CCN(Cc2c([O-])cccc2Cl)CC1	ZINC000271180720	674318989	/nfs/dbraw/zinc/31/89/89/674318989.db2.gz	JYFYAJFKIRCQJF-UHFFFAOYSA-N	-1	3	371.846	1.681	20	10		FDCDHM
CCOC(=O)CN(CC(C)C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000271245550	674327821	/nfs/dbraw/zinc/32/78/21/674327821.db2.gz	JGRYKYCMMSGADH-UHFFFAOYSA-N	-1	3	372.443	1.425	20	10		FDCDHM
CC(=O)c1cc(F)cc(CN2CCc3cc(S(N)(=O)=O)ccc32)c1[O-]	ZINC000079396422	523745152	/nfs/dbraw/zinc/74/51/52/523745152.db2.gz	QRFNZQJJDNLREN-UHFFFAOYSA-N	-1	3	364.398	1.944	20	10		FDCDHM
O=C1NC[C@H]2CN(Cc3cc(-c4ccccc4)ccc3[O-])CCN2C1=O	ZINC000091866223	524802890	/nfs/dbraw/zinc/80/28/90/524802890.db2.gz	NTEQLQGMDCZIPP-KRWDZBQOSA-N	-1	3	351.406	1.202	20	10		FDCDHM
CN(Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C[C@@H](O)CN1CCOCC1	ZINC000093583315	524992517	/nfs/dbraw/zinc/99/25/17/524992517.db2.gz	UQSBOSHIWRQVSQ-CYBMUJFWSA-N	-1	3	359.810	1.079	20	10		FDCDHM
Cc1cc(Cl)cc(CN2CCN(C(=O)C(=O)NC3CC3)CC2)c1[O-]	ZINC000179765714	525629077	/nfs/dbraw/zinc/62/90/77/525629077.db2.gz	YGNHKJJSFBNZGY-UHFFFAOYSA-N	-1	3	351.834	1.277	20	10		FDCDHM
O=c1cc(CN2CCN(Cc3cc(F)ccc3[O-])CC2)nc2sccn21	ZINC000179892565	525642272	/nfs/dbraw/zinc/64/22/72/525642272.db2.gz	IODGCRKCTQQJLP-UHFFFAOYSA-N	-1	3	374.441	1.919	20	10		FDCDHM
CCNS(=O)(=O)[C@@H]1CCN(Cc2cc(Br)ccc2[O-])C1	ZINC000181565147	525872996	/nfs/dbraw/zinc/87/29/96/525872996.db2.gz	IUZBMJMYKXUPTH-GFCCVEGCSA-N	-1	3	363.277	1.668	20	10		FDCDHM
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1ccc(=O)[nH]n1	ZINC000134262740	526140014	/nfs/dbraw/zinc/14/00/14/526140014.db2.gz	CDGIQWQGOQSHRJ-CYBMUJFWSA-N	-1	3	362.817	1.523	20	10		FDCDHM
C[C@@H](NC(N)=O)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1	ZINC000134262788	526141292	/nfs/dbraw/zinc/14/12/92/526141292.db2.gz	WBGSWKJDPKVSAG-ZWNOBZJWSA-N	-1	3	354.838	1.183	20	10		FDCDHM
C[C@](O)(CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1cccs1	ZINC000265798622	537173682	/nfs/dbraw/zinc/17/36/82/537173682.db2.gz	HSAKPCCFMSITNA-HNNXBMFYSA-N	-1	3	370.452	1.463	20	10		FDCDHM
CCN1CCN([C@H]2CCN(Cc3ccc([N+](=O)[O-])c(OC)c3[O-])C2)CC1	ZINC000278207418	537281105	/nfs/dbraw/zinc/28/11/05/537281105.db2.gz	JTFKJALPYGTMTH-HNNXBMFYSA-N	-1	3	364.446	1.521	20	10		FDCDHM
CCC(CC)(CC(=O)OC)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000271348308	537428151	/nfs/dbraw/zinc/42/81/51/537428151.db2.gz	HBYIKZLPFAMQOT-UHFFFAOYSA-N	-1	3	372.443	1.615	20	10		FDCDHM
CN(C)c1ccc(CNC(=O)N2CCC[C@H]2C[C@]2(C)NC(=O)[N-]C2=O)cc1	ZINC000285617236	537737881	/nfs/dbraw/zinc/73/78/81/537737881.db2.gz	KDEBDWDUYDCAEB-KXBFYZLASA-N	-1	3	373.457	1.415	20	10		FDCDHM
COc1c([O-])c(CN2CCN([C@H]3CCC[C@H]3O)CC2)ccc1[N+](=O)[O-]	ZINC000373201993	538092782	/nfs/dbraw/zinc/09/27/82/538092782.db2.gz	BPJZLGVUAFUZGB-DZGCQCFKSA-N	-1	3	351.403	1.340	20	10		FDCDHM
Cc1cc(C(=O)NCC[S@](C)=O)c(C)n1-c1ccc(-c2nn[n-]n2)cc1	ZINC000737236681	599199758	/nfs/dbraw/zinc/19/97/58/599199758.db2.gz	QMSYOXQLXLGRPN-SANMLTNESA-N	-1	3	372.454	1.383	20	10		FDCDHM
COc1ccc(-c2nnn[n-]2)cc1NC(=O)NCc1cccc(OC)c1O	ZINC000737061466	598264913	/nfs/dbraw/zinc/26/49/13/598264913.db2.gz	CUDMNYPEZSOINB-UHFFFAOYSA-N	-1	3	370.369	1.911	20	10		FDCDHM
COc1ccc(-c2nn[n-]n2)cc1NC(=O)NCc1cccc(OC)c1O	ZINC000737061466	598264916	/nfs/dbraw/zinc/26/49/16/598264916.db2.gz	CUDMNYPEZSOINB-UHFFFAOYSA-N	-1	3	370.369	1.911	20	10		FDCDHM
NC(=O)c1ccc(NC(=S)NNc2cccc(-c3nnn[n-]3)c2)cc1	ZINC000737761450	598323141	/nfs/dbraw/zinc/32/31/41/598323141.db2.gz	XHYAWFFKWDASQI-UHFFFAOYSA-N	-1	3	354.399	1.279	20	10		FDCDHM
NC(=O)c1ccc(NC(=S)NNc2cccc(-c3nn[n-]n3)c2)cc1	ZINC000737761450	598323142	/nfs/dbraw/zinc/32/31/42/598323142.db2.gz	XHYAWFFKWDASQI-UHFFFAOYSA-N	-1	3	354.399	1.279	20	10		FDCDHM
Cc1cc(C(=O)O[C@H](C)C(N)=O)c(C)n1-c1ccc(-c2nn[n-]n2)cc1	ZINC000737238729	598621516	/nfs/dbraw/zinc/62/15/16/598621516.db2.gz	RFXNWEMRQSMYGH-LLVKDONJSA-N	-1	3	354.370	1.305	20	10		FDCDHM
COc1ccc(N2CCN(Cc3ccnc(-c4nnn[n-]4)c3)CC2)cc1	ZINC000826209864	607480617	/nfs/dbraw/zinc/48/06/17/607480617.db2.gz	UWTRRUURZCNPCU-UHFFFAOYSA-N	-1	3	351.414	1.593	20	10		FDCDHM
COc1ccc(N2CCN(Cc3ccnc(-c4nn[n-]n4)c3)CC2)cc1	ZINC000826209864	607480619	/nfs/dbraw/zinc/48/06/19/607480619.db2.gz	UWTRRUURZCNPCU-UHFFFAOYSA-N	-1	3	351.414	1.593	20	10		FDCDHM
COc1ccc(N(C)CC(=O)Nc2cccc(-c3nnn[n-]3)c2)c(OC)c1	ZINC000826209257	607753837	/nfs/dbraw/zinc/75/38/37/607753837.db2.gz	UFDSUFUBJTWEHC-UHFFFAOYSA-N	-1	3	368.397	1.959	20	10		FDCDHM
COc1ccc(N(C)CC(=O)Nc2cccc(-c3nn[n-]n3)c2)c(OC)c1	ZINC000826209257	607753838	/nfs/dbraw/zinc/75/38/38/607753838.db2.gz	UFDSUFUBJTWEHC-UHFFFAOYSA-N	-1	3	368.397	1.959	20	10		FDCDHM
O=C([O-])N1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2[O-])C1	ZINC000834024515	605692661	/nfs/dbraw/zinc/69/26/61/605692661.db2.gz	DGALLEKSLINZQS-GOEBONIOSA-N	-1	3	361.442	1.863	20	10		FDCDHM
O=C([O-])N1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])C1	ZINC000834024515	605692664	/nfs/dbraw/zinc/69/26/64/605692664.db2.gz	DGALLEKSLINZQS-GOEBONIOSA-N	-1	3	361.442	1.863	20	10		FDCDHM
COc1ccc(N2CCCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)cc1	ZINC000821831689	606260639	/nfs/dbraw/zinc/26/06/39/606260639.db2.gz	JJMWIJBDPOWLFB-UHFFFAOYSA-N	-1	3	367.413	1.556	20	10		FDCDHM
COc1ccc(N2CCCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)cc1	ZINC000821831689	606260641	/nfs/dbraw/zinc/26/06/41/606260641.db2.gz	JJMWIJBDPOWLFB-UHFFFAOYSA-N	-1	3	367.413	1.556	20	10		FDCDHM
O=C(C=Cc1ccccc1-c1nnn[n-]1)NCCc1ccc(O)c(O)c1	ZINC000826401709	608469478	/nfs/dbraw/zinc/46/94/78/608469478.db2.gz	FHZAMBKZTRYCPW-VURMDHGXSA-N	-1	3	351.366	1.650	20	10		FDCDHM
O=C(C=Cc1ccccc1-c1nn[n-]n1)NCCc1ccc(O)c(O)c1	ZINC000826401709	608469480	/nfs/dbraw/zinc/46/94/80/608469480.db2.gz	FHZAMBKZTRYCPW-VURMDHGXSA-N	-1	3	351.366	1.650	20	10		FDCDHM
CN(Cc1cc2c(cc1O)OC[C@@H]2O)c1ccc(-c2nn[n-]n2)cc1F	ZINC000825953205	608545629	/nfs/dbraw/zinc/54/56/29/608545629.db2.gz	ALENITIIZAGOKZ-HNNXBMFYSA-N	-1	3	357.345	1.774	20	10		FDCDHM
COc1ccc(O)c([C@H](C)NC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c1	ZINC000826210503	609251013	/nfs/dbraw/zinc/25/10/13/609251013.db2.gz	UIUIBYQUERHOBL-QFYYESIMSA-N	-1	3	369.381	1.492	20	10		FDCDHM
COc1ccc(O)c([C@H](C)NC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c1	ZINC000826210503	609251014	/nfs/dbraw/zinc/25/10/14/609251014.db2.gz	UIUIBYQUERHOBL-QFYYESIMSA-N	-1	3	369.381	1.492	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCc3cc[nH]c(=O)c3C2)c1	ZINC000277721305	675017816	/nfs/dbraw/zinc/01/78/16/675017816.db2.gz	GXGWHRKCVCZBDE-UHFFFAOYSA-N	-1	3	363.395	1.063	20	10		FDCDHM
O=C(c1cccc(O)c1[O-])N1CCN(Cc2nccn2C(F)F)CC1	ZINC000192991512	672362280	/nfs/dbraw/zinc/36/22/80/672362280.db2.gz	HGHLBEYUGWAHHT-UHFFFAOYSA-N	-1	3	352.341	1.647	20	10		FDCDHM
CC(C)(C)OC(=O)CCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000266523504	673139263	/nfs/dbraw/zinc/13/92/63/673139263.db2.gz	DUOKGBNDXLLJLO-UHFFFAOYSA-N	-1	3	358.416	1.225	20	10		FDCDHM
CC(=O)c1cc(F)cc(CN2CCC[C@@H](CNS(C)(=O)=O)C2)c1[O-]	ZINC000267432176	673303433	/nfs/dbraw/zinc/30/34/33/673303433.db2.gz	DNIUUPAYLWCIEN-LBPRGKRZSA-N	-1	3	358.435	1.495	20	10		FDCDHM
O=S(=O)([C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)N1CCOCC1	ZINC000364720330	677045185	/nfs/dbraw/zinc/04/51/85/677045185.db2.gz	CRYIYZLKPIRXOX-HNNXBMFYSA-N	-1	3	374.890	1.672	20	10		FDCDHM
Cc1ccc(S(=O)(=O)NC2CN(C(=O)c3cccc(O)c3[O-])C2)cc1	ZINC000365771850	677380583	/nfs/dbraw/zinc/38/05/83/677380583.db2.gz	MRUMDTLEAISHEK-UHFFFAOYSA-N	-1	3	362.407	1.209	20	10		FDCDHM
C[C@@]1(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCO[C@H]1C1CC1	ZINC000368491652	677500088	/nfs/dbraw/zinc/50/00/88/677500088.db2.gz	JAYYGUQPGZVLAB-RDJZCZTQSA-N	-1	3	368.455	1.699	20	10		FDCDHM
COc1cccc(C(=O)N2CCN(C(=O)c3cccc(O)c3[O-])CC2)c1	ZINC000274908844	770975964	/nfs/dbraw/zinc/97/59/64/770975964.db2.gz	SPXRKMMXMOMJAV-UHFFFAOYSA-N	-1	3	356.378	1.705	20	10		FDCDHM
Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2C(N)=O)c([O-])c1O	ZINC000272710602	814775700	/nfs/dbraw/zinc/77/57/00/814775700.db2.gz	DNLPJJKUDOFOPF-UHFFFAOYSA-N	-1	3	371.393	1.594	20	10		FDCDHM
O=S1(=O)C[C@H]2CN(Cc3cc(Br)cc(F)c3[O-])C[C@H]2C1	ZINC000897618544	840033774	/nfs/dbraw/zinc/03/37/74/840033774.db2.gz	VJCFIYATGAQLII-AOOOYVTPSA-N	-1	3	364.236	1.770	20	10		FDCDHM
CN(C)c1ccc([C@H](C[N-]S(=O)(=O)c2c[nH]nc2Cl)N(C)C)cc1	ZINC000908459180	855442325	/nfs/dbraw/zinc/44/23/25/855442325.db2.gz	ACCOPPZIXZTKMF-ZDUSSCGKSA-N	-1	3	371.894	1.710	20	10		FDCDHM
CN(C)c1ccc([C@H](C[N-]S(=O)(=O)c2cscn2)N(C)C)cc1	ZINC000908459249	855443786	/nfs/dbraw/zinc/44/37/86/855443786.db2.gz	DDIBPWHMQBZHAF-AWEZNQCLSA-N	-1	3	354.501	1.790	20	10		FDCDHM
CN(C)c1ccc([C@@H](C[N-]S(=O)(=O)c2c[nH]c(=O)s2)N(C)C)cc1	ZINC000908460753	855446754	/nfs/dbraw/zinc/44/67/54/855446754.db2.gz	YYCQLPCRUMSXPH-CYBMUJFWSA-N	-1	3	370.500	1.496	20	10		FDCDHM
COCCC1(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCC1	ZINC000761591632	873076461	/nfs/dbraw/zinc/07/64/61/873076461.db2.gz	OPWCCYVPFHETAR-UHFFFAOYSA-N	-1	3	356.444	1.700	20	10		FDCDHM
C[N-]S(=O)(=O)c1cc(C(=O)NCCc2ccc(O)c(O)c2)ccc1F	ZINC000762268687	875636845	/nfs/dbraw/zinc/63/68/45/875636845.db2.gz	QWQVUTBGJKVVSJ-UHFFFAOYSA-N	-1	3	368.386	1.118	20	10		FDCDHM
CCOC(=O)N1CCC(S(=O)(=O)NCc2c([O-])cccc2F)CC1	ZINC000921452280	888016545	/nfs/dbraw/zinc/01/65/45/888016545.db2.gz	KBPPRFMTCHWKST-UHFFFAOYSA-N	-1	3	360.407	1.572	20	10		FDCDHM
CCN(CC)C(=O)CN1CCN(Cc2cc(F)cc(C(C)=O)c2[O-])CC1	ZINC000175567336	888304857	/nfs/dbraw/zinc/30/48/57/888304857.db2.gz	MHRZLRJAFJVVFE-UHFFFAOYSA-N	-1	3	365.449	1.720	20	10		FDCDHM
COCCN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C1CCCC1	ZINC000769717706	929634057	/nfs/dbraw/zinc/63/40/57/929634057.db2.gz	YDUXSTLORFZAHW-UHFFFAOYSA-N	-1	3	356.444	1.795	20	10		FDCDHM
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1cncc([O-])c1	ZINC000786525200	931938977	/nfs/dbraw/zinc/93/89/77/931938977.db2.gz	FRPJOWSSPFUVJS-UHFFFAOYSA-N	-1	3	350.758	1.962	20	10		FDCDHM
CCS(=O)(=O)CCn1cc(C)c(NC(=O)c2ccc(C)c(O)c2[O-])n1	ZINC000787793204	932421099	/nfs/dbraw/zinc/42/10/99/932421099.db2.gz	CFLLBWKSFNQGNU-UHFFFAOYSA-N	-1	3	367.427	1.598	20	10		FDCDHM
NC(=O)[C@H](NC(=O)c1cccc(O)c1[O-])c1cccc(Br)c1	ZINC000790598169	933621591	/nfs/dbraw/zinc/62/15/91/933621591.db2.gz	KBJATDCDRQFFIT-GFCCVEGCSA-N	-1	3	365.183	1.817	20	10		FDCDHM
O=C(NCCCCN1C(=O)c2ccccc2C1=O)c1cccc(O)c1[O-]	ZINC000790687273	933682156	/nfs/dbraw/zinc/68/21/56/933682156.db2.gz	SMSFGOKQCCJPEO-UHFFFAOYSA-N	-1	3	354.362	1.904	20	10		FDCDHM
O=C(NCC1CCN(C(=O)c2cccc(O)c2[O-])CC1)c1ccccn1	ZINC000790898372	933775359	/nfs/dbraw/zinc/77/53/59/933775359.db2.gz	VYWUWEZMCGJYIE-UHFFFAOYSA-N	-1	3	355.394	1.775	20	10		FDCDHM
Cc1ccc(CN(CCO)C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])o1	ZINC000794318613	938386052	/nfs/dbraw/zinc/38/60/52/938386052.db2.gz	YHCKPWUHGDAHRP-UHFFFAOYSA-N	-1	3	368.411	1.300	20	10		FDCDHM
O=C(c1cccc(O)c1[O-])N1CCC[C@@H](CNS(=O)(=O)C2CC2)C1	ZINC000807901306	940489874	/nfs/dbraw/zinc/48/98/74/940489874.db2.gz	AQXXSIOYHXMDED-NSHDSACASA-N	-1	3	354.428	1.032	20	10		FDCDHM
CN(C)C(=O)CN1CCN(Cc2ccc(Br)cc2[O-])CC1	ZINC000824528982	946505030	/nfs/dbraw/zinc/50/50/30/946505030.db2.gz	FNRLWSLKGVTVRP-UHFFFAOYSA-N	-1	3	356.264	1.361	20	10		FDCDHM
COC[C@@H]1COCCC12CCN(C(=O)c1cc(O)c([O-])c(O)c1)CC2	ZINC001148584105	952757822	/nfs/dbraw/zinc/75/78/22/952757822.db2.gz	OEMABOREHKJWNE-CYBMUJFWSA-N	-1	3	351.399	1.709	20	10		FDCDHM
COc1cc2c(cc1NC(=O)c1cc(O)c([O-])c(O)c1)N(C(C)=O)CC2	ZINC001148586071	952759288	/nfs/dbraw/zinc/75/92/88/952759288.db2.gz	HHAIJQPFOSCZAW-UHFFFAOYSA-N	-1	3	358.350	1.973	20	10		FDCDHM
CC(C)CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCc1c([O-])cccc1F	ZINC001178412806	964227349	/nfs/dbraw/zinc/22/73/49/964227349.db2.gz	GFLQGSRHGQQRDC-HNNXBMFYSA-N	-1	3	362.405	1.644	20	10		FDCDHM
CC[N@H+](Cc1cc(Br)ccc1[O-])[C@@H]1CCN(CC(=O)[O-])C1=O	ZINC000852726459	967554922	/nfs/dbraw/zinc/55/49/22/967554922.db2.gz	PFNBOCJOKBTBDG-GFCCVEGCSA-N	-1	3	371.231	1.662	20	10		FDCDHM
CC[N@@H+](Cc1cc(Br)ccc1[O-])[C@@H]1CCN(CC(=O)[O-])C1=O	ZINC000852726459	967554931	/nfs/dbraw/zinc/55/49/31/967554931.db2.gz	PFNBOCJOKBTBDG-GFCCVEGCSA-N	-1	3	371.231	1.662	20	10		FDCDHM
COc1ccc(N2CC[C@@H]([N-]S(=O)(=O)c3c(C)noc3C)C2)cc1	ZINC000849416281	977540588	/nfs/dbraw/zinc/54/05/88/977540588.db2.gz	NZMHOQQUWMEVJH-CYBMUJFWSA-N	-1	3	351.428	1.857	20	10		FDCDHM
CC(=O)c1cc(F)cc(CN2CCN([C@H]3CCCCNC3=O)CC2)c1[O-]	ZINC000370355451	989683820	/nfs/dbraw/zinc/68/38/20/989683820.db2.gz	OIGLWDVKKFWBCY-KRWDZBQOSA-N	-1	3	363.433	1.520	20	10		FDCDHM
COc1ccc(N(C)CCN(C)Cc2nc3c(c(=O)[n-]2)COCC3)cc1	ZINC000878805503	994244024	/nfs/dbraw/zinc/24/40/24/994244024.db2.gz	OEWYQMCNPXHXGX-UHFFFAOYSA-N	-1	3	358.442	1.832	20	10		FDCDHM
Cn1ccnc1[C@@](O)(CC(=O)NCc1c([O-])cccc1F)C(F)(F)F	ZINC000928711103	1001632980	/nfs/dbraw/zinc/63/29/80/1001632980.db2.gz	DQOLIXRJIJJIHD-AWEZNQCLSA-N	-1	3	361.295	1.721	20	10		FDCDHM
C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NCc1c([O-])cccc1F)C2=O	ZINC000928710191	1001633079	/nfs/dbraw/zinc/63/30/79/1001633079.db2.gz	PPFQXKMSYAZUJH-ZMZPIMSZSA-N	-1	3	363.389	1.648	20	10		FDCDHM
O=C(NCc1c([O-])cccc1F)c1ccc(C(=O)N2CCOCC2)cc1	ZINC000928711796	1001633503	/nfs/dbraw/zinc/63/35/03/1001633503.db2.gz	PYFUNVBBWQLWSL-UHFFFAOYSA-N	-1	3	358.369	1.934	20	10		FDCDHM
COC(=O)c1nscc1S(=O)(=O)[N-]Cc1ccc(OC)cc1O	ZINC000795359090	1006341490	/nfs/dbraw/zinc/34/14/90/1006341490.db2.gz	WYZOONIXCHNNRY-UHFFFAOYSA-N	-1	3	358.397	1.122	20	10		FDCDHM
CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@@H](C)S(C)(=O)=O	ZINC000075416639	522913913	/nfs/dbraw/zinc/91/39/13/522913913.db2.gz	APAIBVSDKKUEIQ-SECBINFHSA-N	-1	3	364.261	1.936	20	10		FDCDHM
C[N-]S(=O)(=O)c1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)cn1	ZINC000184783850	536182628	/nfs/dbraw/zinc/18/26/28/536182628.db2.gz	QPCNLBBIYMYOLK-UHFFFAOYSA-N	-1	3	374.466	1.520	20	10		FDCDHM
COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)CCc1cncn1C	ZINC000193755398	537255240	/nfs/dbraw/zinc/25/52/40/537255240.db2.gz	LXXVQDFIZCXBQZ-UHFFFAOYSA-N	-1	3	365.817	1.914	20	10		FDCDHM
COC(=O)NCCc1ccc(S(=O)(=O)[N-]Cc2ccccc2O)s1	ZINC000276157591	537311705	/nfs/dbraw/zinc/31/17/05/537311705.db2.gz	APODYRPPKUQREJ-UHFFFAOYSA-N	-1	3	370.452	1.831	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H]2[C@@H]2CCCO2)c1	ZINC000285863427	537348454	/nfs/dbraw/zinc/34/84/54/537348454.db2.gz	QEXXAUDWLLKQTO-HIFRSBDPSA-N	-1	3	354.428	1.547	20	10		FDCDHM
COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)[C@H]1CCCCC(=O)N1	ZINC000279641961	537352168	/nfs/dbraw/zinc/35/21/68/537352168.db2.gz	CQGYHMKMYTXBCV-CYBMUJFWSA-N	-1	3	368.817	1.606	20	10		FDCDHM
C[C@H](CC(=O)c1ccco1)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000271344206	537425447	/nfs/dbraw/zinc/42/54/47/537425447.db2.gz	GQOVYHWOVWERPC-SNVBAGLBSA-N	-1	3	366.395	1.748	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC([C@@H]3CCCO3)CC2)c1	ZINC000276336366	537431064	/nfs/dbraw/zinc/43/10/64/537431064.db2.gz	WBXSUCQMPUJYCI-INIZCTEOSA-N	-1	3	368.455	1.795	20	10		FDCDHM
CCC1(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCOCC1	ZINC000271433689	537441103	/nfs/dbraw/zinc/44/11/03/537441103.db2.gz	UBVGORAUVPXNIK-UHFFFAOYSA-N	-1	3	356.444	1.700	20	10		FDCDHM
CCN1CC[C@H]2OCCN(Cc3ccc([N+](=O)[O-])c(OC)c3[O-])[C@H]2C1	ZINC000293522739	537501823	/nfs/dbraw/zinc/50/18/23/537501823.db2.gz	BFGSULSRCDIRMM-LSDHHAIUSA-N	-1	3	351.403	1.604	20	10		FDCDHM
COc1cc(Br)cc(CN2CCn3c(nn(C)c3=O)C2)c1[O-]	ZINC000367547055	537961562	/nfs/dbraw/zinc/96/15/62/537961562.db2.gz	PTBYFMLCSOWZEI-UHFFFAOYSA-N	-1	3	369.219	1.074	20	10		FDCDHM
COc1ccc(O)c([C@H](C)NCC(=O)NC2(C(=O)[O-])CCCCC2)c1	ZINC000833734020	605127899	/nfs/dbraw/zinc/12/78/99/605127899.db2.gz	ZNYQXTZEYIXYBN-LBPRGKRZSA-N	-1	3	350.415	1.955	20	10		FDCDHM
CSc1nnc(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])s1	ZINC000275944501	674669371	/nfs/dbraw/zinc/66/93/71/674669371.db2.gz	XUEYBSUONLIPMS-UHFFFAOYSA-N	-1	3	374.469	1.267	20	10		FDCDHM
CCOC1CC2(C1)CCN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C2	ZINC000286506091	675896614	/nfs/dbraw/zinc/89/66/14/675896614.db2.gz	AVGCJLJMQRCXOR-UHFFFAOYSA-N	-1	3	368.455	1.795	20	10		FDCDHM
COC(=O)Cn1cc(CNCc2cccc(Br)c2[O-])nn1	ZINC000120154596	671685109	/nfs/dbraw/zinc/68/51/09/671685109.db2.gz	ARRZFJMWJMEDNB-UHFFFAOYSA-N	-1	3	355.192	1.209	20	10		FDCDHM
CCOC[C@H]1CCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1	ZINC000265055683	672928843	/nfs/dbraw/zinc/92/88/43/672928843.db2.gz	UWHIQMOULJLMOL-LBPRGKRZSA-N	-1	3	356.444	1.652	20	10		FDCDHM
CO[C@@]1(C)CCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1	ZINC000280042574	675377130	/nfs/dbraw/zinc/37/71/30/675377130.db2.gz	PJARHKNXGIZEQB-INIZCTEOSA-N	-1	3	356.444	1.795	20	10		FDCDHM
Cn1cc2c(n1)CCC[C@@H]2NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000282584037	675636710	/nfs/dbraw/zinc/63/67/10/675636710.db2.gz	WHZDFAPSLXPSAA-ZDUSSCGKSA-N	-1	3	364.427	1.305	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CCCC23CCOCC3)c1	ZINC000282587111	675636727	/nfs/dbraw/zinc/63/67/27/675636727.db2.gz	SUSLHGGTMSZCEH-HNNXBMFYSA-N	-1	3	368.455	1.843	20	10		FDCDHM
COc1c([O-])c(CN2CCC[C@H](OC(=O)N(C)C)C2)ccc1[N+](=O)[O-]	ZINC000294902487	676398465	/nfs/dbraw/zinc/39/84/65/676398465.db2.gz	XILBKYWULIKDQK-LBPRGKRZSA-N	-1	3	353.375	1.972	20	10		FDCDHM
Cn1nccc1N1CCC[C@@H](NC(=O)NCc2c([O-])cccc2F)C1=O	ZINC000922171965	873381527	/nfs/dbraw/zinc/38/15/27/873381527.db2.gz	MLUMGOCRYNODBZ-CYBMUJFWSA-N	-1	3	361.377	1.260	20	10		FDCDHM
CN(Cc1cccc(O)c1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000919818609	886208813	/nfs/dbraw/zinc/20/88/13/886208813.db2.gz	PXGWLBNTARSNEN-UHFFFAOYSA-N	-1	3	350.396	1.742	20	10		FDCDHM
COc1cc(N2CCN(Cc3cc(F)cc(C(C)=O)c3[O-])CC2)ncn1	ZINC000184075171	897241710	/nfs/dbraw/zinc/24/17/10/897241710.db2.gz	BEUFFGPPSJZHHK-UHFFFAOYSA-N	-1	3	360.389	1.855	20	10		FDCDHM
COC(=O)CN(CCNC(=O)NC(C)C)Cc1cc(Cl)ccc1[O-]	ZINC000828062593	908291389	/nfs/dbraw/zinc/29/13/89/908291389.db2.gz	LGHVVKJTVNCYIJ-UHFFFAOYSA-N	-1	3	357.838	1.728	20	10		FDCDHM
C[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1cccc(O)c1	ZINC000727853987	911388698	/nfs/dbraw/zinc/38/86/98/911388698.db2.gz	OIGFCIYKTKQHJP-JTQLQIEISA-N	-1	3	350.396	1.960	20	10		FDCDHM
CCN1CCN(c2ccc(CNC(=O)c3ncccc3[O-])cc2F)CC1	ZINC000730287906	916481632	/nfs/dbraw/zinc/48/16/32/916481632.db2.gz	NRVNJBXMGIKSSE-UHFFFAOYSA-N	-1	3	358.417	1.998	20	10		FDCDHM
Cn1cc(C(C)(C)NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cn1	ZINC000769919009	929736747	/nfs/dbraw/zinc/73/67/47/929736747.db2.gz	QVDBNTFHQQEJHN-UHFFFAOYSA-N	-1	3	352.416	1.162	20	10		FDCDHM
Cc1cc(=O)n(C)cc1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000769937837	929772308	/nfs/dbraw/zinc/77/23/08/929772308.db2.gz	LAXCRYFQHZPAGA-UHFFFAOYSA-N	-1	3	351.384	1.023	20	10		FDCDHM
COc1cc(C[C@@H](CO)CNC(=O)c2cccc(O)c2[O-])cc(OC)c1	ZINC000790872927	933765462	/nfs/dbraw/zinc/76/54/62/933765462.db2.gz	BNVNMQNHKNDFRY-CYBMUJFWSA-N	-1	3	361.394	1.696	20	10		FDCDHM
CCOC(=O)c1ccc(N2CC(NC(=O)c3cccc(O)c3[O-])C2)nc1	ZINC000790927322	933781334	/nfs/dbraw/zinc/78/13/34/933781334.db2.gz	XRJHQPBORBOHGV-UHFFFAOYSA-N	-1	3	357.366	1.288	20	10		FDCDHM
O=C(CN1CCCC1)N1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1	ZINC000816502440	942231666	/nfs/dbraw/zinc/23/16/66/942231666.db2.gz	AYOMSBLZWRKHJR-UHFFFAOYSA-N	-1	3	355.841	1.925	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCO[C@@H]2CCCCO2)c1	ZINC000816675886	942298306	/nfs/dbraw/zinc/29/83/06/942298306.db2.gz	NSDBTDKYNMKBRZ-CQSZACIVSA-N	-1	3	358.416	1.037	20	10		FDCDHM
O=C(NCc1ccc(N2CCC(O)CC2)cc1)c1cccc2n[n-]nc21	ZINC000856211835	970985730	/nfs/dbraw/zinc/98/57/30/970985730.db2.gz	ASVFSTDSOCTVND-UHFFFAOYSA-N	-1	3	351.410	1.849	20	10		FDCDHM
COc1c([O-])c(CN2CCC[C@H](NC(=O)N(C)C)C2)ccc1[N+](=O)[O-]	ZINC000825279971	947103915	/nfs/dbraw/zinc/10/39/15/947103915.db2.gz	VRBMZYLWGVWXSH-LBPRGKRZSA-N	-1	3	352.391	1.545	20	10		FDCDHM
CCO[C@@H]1C[C@@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])[C@@H]1SC	ZINC000844065235	947722554	/nfs/dbraw/zinc/72/25/54/947722554.db2.gz	JNSQMQHFLQXLTR-BNOWGMLFSA-N	-1	3	374.484	1.403	20	10		FDCDHM
COc1cc([N+](=O)[O-])c(N2CCN(C(C)(C)C(=O)[O-])CC2)cc1OC	ZINC000844218338	947846137	/nfs/dbraw/zinc/84/61/37/947846137.db2.gz	KTWJIGRHYFGXNO-UHFFFAOYSA-N	-1	3	353.375	1.597	20	10		FDCDHM
Cc1ccccc1OCCN(C)Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1	ZINC000846233239	950759666	/nfs/dbraw/zinc/75/96/66/950759666.db2.gz	COIBRNLMWGSGJO-UHFFFAOYSA-N	-1	3	356.382	1.952	20	10		FDCDHM
CN(C[C@H]1CN(C(=O)OC(C)(C)C)CCO1)C(=O)c1cccc(O)c1[O-]	ZINC001148211887	952646681	/nfs/dbraw/zinc/64/66/81/952646681.db2.gz	AWOLASQFBFWCPR-LBPRGKRZSA-N	-1	3	366.414	1.806	20	10		FDCDHM
O=C(NC1CCC1)[C@@H]1COC2(C1)CCN(C(=O)c1cccc(O)c1[O-])CC2	ZINC001148213439	952647714	/nfs/dbraw/zinc/64/77/14/952647714.db2.gz	AUSCCOTWYXESEC-ZDUSSCGKSA-N	-1	3	374.437	1.778	20	10		FDCDHM
O=C(c1cc(O)c([O-])c(O)c1)N1CCC(N2C(=O)Cc3ccccc32)CC1	ZINC001148583808	952757791	/nfs/dbraw/zinc/75/77/91/952757791.db2.gz	CAAPCYHZSJCGMS-UHFFFAOYSA-N	-1	3	368.389	1.997	20	10		FDCDHM
COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(O)c(C(C)=O)c2)ccc1O	ZINC001197240955	972169718	/nfs/dbraw/zinc/16/97/18/972169718.db2.gz	NRGLAJJVYAKKGX-UHFFFAOYSA-N	-1	3	365.363	1.888	20	10		FDCDHM
O=S(=O)(c1ccc(-c2nnn[n-]2)cc1)N1CCc2cccc(O)c2C1	ZINC001185588180	963992338	/nfs/dbraw/zinc/99/23/38/963992338.db2.gz	JOLYOLXNLXNHHZ-UHFFFAOYSA-N	-1	3	357.395	1.319	20	10		FDCDHM
O=S(=O)(c1ccc(-c2nn[n-]n2)cc1)N1CCc2cccc(O)c2C1	ZINC001185588180	963992340	/nfs/dbraw/zinc/99/23/40/963992340.db2.gz	JOLYOLXNLXNHHZ-UHFFFAOYSA-N	-1	3	357.395	1.319	20	10		FDCDHM
O=C(NCc1cccnc1)C1CCN(C(=O)c2cccc(O)c2[O-])CC1	ZINC000776328156	975761888	/nfs/dbraw/zinc/76/18/88/975761888.db2.gz	PRQNKJDJSDDREQ-UHFFFAOYSA-N	-1	3	355.394	1.661	20	10		FDCDHM
CC1CCN(c2ccc(C[N-]S(=O)(=O)N=S(C)(C)=O)cc2)CC1	ZINC000866752860	975995334	/nfs/dbraw/zinc/99/53/34/975995334.db2.gz	DDOTYWKSNJFELA-UHFFFAOYSA-N	-1	3	359.517	1.985	20	10		FDCDHM
CC(C)(C)O[C@H]1C[C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1	ZINC000848313339	976599904	/nfs/dbraw/zinc/59/99/04/976599904.db2.gz	QUSIQJUVAZASGY-HAQNSBGRSA-N	-1	3	356.444	1.840	20	10		FDCDHM
COCCN(Cc1ccc([N+](=O)[O-])c(OC)c1[O-])C[C@H](O)C(F)(F)F	ZINC000848922641	977239054	/nfs/dbraw/zinc/23/90/54/977239054.db2.gz	WGMRFHFRQRGLIS-NSHDSACASA-N	-1	3	368.308	1.681	20	10		FDCDHM
O=C([O-])c1cnn2c1[nH]c(CN1CCC([C@H]3CCCCO3)CC1)cc2=O	ZINC000849346147	977444326	/nfs/dbraw/zinc/44/43/26/977444326.db2.gz	PNDDDQOCOSGRHM-OAHLLOKOSA-N	-1	3	360.414	1.914	20	10		FDCDHM
O=C([O-])c1cnn2c1[nH]c(CN1CCC[C@H]([C@@H]3CCCCO3)C1)cc2=O	ZINC000849344932	977444827	/nfs/dbraw/zinc/44/48/27/977444827.db2.gz	CPUVQVWDQOTHFT-WFASDCNBSA-N	-1	3	360.414	1.914	20	10		FDCDHM
O=S(=O)([N-]Cc1ccc(N2CCOCC2)cc1)c1cccnc1F	ZINC000881808211	980164907	/nfs/dbraw/zinc/16/49/07/980164907.db2.gz	MWVGJIHAMGTQCY-UHFFFAOYSA-N	-1	3	351.403	1.536	20	10		FDCDHM
CN1CCN(c2ccc(CNC(=O)C(=O)c3ccc([O-])cc3)cc2)CC1	ZINC000881853790	980218140	/nfs/dbraw/zinc/21/81/40/980218140.db2.gz	KPMAJYWYXQNCGD-UHFFFAOYSA-N	-1	3	353.422	1.643	20	10		FDCDHM
COC(=O)CC[N@H+](CC(=O)[O-])Cc1cc(Br)cc(C)c1[O-]	ZINC000883520140	982238660	/nfs/dbraw/zinc/23/86/60/982238660.db2.gz	PSAKHDLDXBNQJT-UHFFFAOYSA-N	-1	3	360.204	1.913	20	10		FDCDHM
COC(=O)CC[N@@H+](CC(=O)[O-])Cc1cc(Br)cc(C)c1[O-]	ZINC000883520140	982238665	/nfs/dbraw/zinc/23/86/65/982238665.db2.gz	PSAKHDLDXBNQJT-UHFFFAOYSA-N	-1	3	360.204	1.913	20	10		FDCDHM
Cn1cnnc1N1CCN(Cc2c([O-])cccc2Br)CC1	ZINC000862401376	984375771	/nfs/dbraw/zinc/37/57/71/984375771.db2.gz	CLPGURIBHBTXQX-UHFFFAOYSA-N	-1	3	352.236	1.605	20	10		FDCDHM
C[C@](O)(CN1Cc2ccccc2C1=O)C(=O)NCc1c([O-])cccc1F	ZINC000928708433	1001632544	/nfs/dbraw/zinc/63/25/44/1001632544.db2.gz	MFGNCSOZVUGFFD-IBGZPJMESA-N	-1	3	358.369	1.555	20	10		FDCDHM
CCn1nncc1CNC(=O)NCc1cc(Br)ccc1[O-]	ZINC000528062472	539729463	/nfs/dbraw/zinc/72/94/63/539729463.db2.gz	CKMKBZARPQCZBY-UHFFFAOYSA-N	-1	3	354.208	1.766	20	10		FDCDHM
Cc1noc(C)c1[C@@H](C)CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000269814248	674113023	/nfs/dbraw/zinc/11/30/23/674113023.db2.gz	DHWOQZAVEJTCHD-VIFPVBQESA-N	-1	3	367.427	1.902	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCCC[C@H]2c2ncon2)c1	ZINC000271216668	674323793	/nfs/dbraw/zinc/32/37/93/674323793.db2.gz	BGZIPOQDGATDJF-LBPRGKRZSA-N	-1	3	366.399	1.514	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCCC[C@H]2c2ncc[nH]2)c1	ZINC000271303189	674332835	/nfs/dbraw/zinc/33/28/35/674332835.db2.gz	RFIHYALFSZNBSF-ZDUSSCGKSA-N	-1	3	364.427	1.854	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCOCC23CCCC3)c1	ZINC000271500947	674348312	/nfs/dbraw/zinc/34/83/12/674348312.db2.gz	YYGCWXPFPFABHX-UHFFFAOYSA-N	-1	3	354.428	1.549	20	10		FDCDHM
Cc1nc(S(=O)(=O)[N-]Cc2ccc(N3CCOCC3)cc2)cn1C	ZINC000066101653	522952588	/nfs/dbraw/zinc/95/25/88/522952588.db2.gz	HCAJAWQHGZCOAY-UHFFFAOYSA-N	-1	3	350.444	1.044	20	10		FDCDHM
Cc1cc(Br)cc(CN2CCN(S(C)(=O)=O)CC2)c1[O-]	ZINC000158022950	524387594	/nfs/dbraw/zinc/38/75/94/524387594.db2.gz	LWAQJUNPJVBBDM-UHFFFAOYSA-N	-1	3	363.277	1.540	20	10		FDCDHM
CC(=O)c1cc(F)cc(CN2CCCC[C@@H]2C(=O)N2CCOCC2)c1[O-]	ZINC000175632429	524984290	/nfs/dbraw/zinc/98/42/90/524984290.db2.gz	ZYWBFHATVCCYFS-QGZVFWFLSA-N	-1	3	364.417	1.947	20	10		FDCDHM
NC(=O)NCCC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1	ZINC000134262253	526140250	/nfs/dbraw/zinc/14/02/50/526140250.db2.gz	HTRZLBBGBQOIRR-ZDUSSCGKSA-N	-1	3	354.838	1.185	20	10		FDCDHM
COc1cc(Cl)cc(CN2CCN(C(=O)[C@H]3CCCN3C)CC2)c1[O-]	ZINC000184701046	536177137	/nfs/dbraw/zinc/17/71/37/536177137.db2.gz	OUIOFIDLEUDVOG-OAHLLOKOSA-N	-1	3	367.877	1.793	20	10		FDCDHM
Cc1ccc(C(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)c([O-])c1O	ZINC000279579573	537349797	/nfs/dbraw/zinc/34/97/97/537349797.db2.gz	UFIGXEQZWRNYBD-GFCCVEGCSA-N	-1	3	354.428	1.046	20	10		FDCDHM
COCCN(Cc1cc(Cl)cc(OC)c1[O-])[C@H]1CCS(=O)(=O)C1	ZINC000290568450	537374498	/nfs/dbraw/zinc/37/44/98/537374498.db2.gz	SWZZBOBSMKZCPN-ZDUSSCGKSA-N	-1	3	363.863	1.690	20	10		FDCDHM
COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]Cc1cccc(OC)c1O	ZINC000290682864	537389335	/nfs/dbraw/zinc/38/93/35/537389335.db2.gz	HGGNQMHLYCYFPO-UHFFFAOYSA-N	-1	3	369.395	1.876	20	10		FDCDHM
COC(=O)c1ccnc(N2CCC(NC(=O)c3cccc(O)c3[O-])CC2)c1	ZINC000365695729	537574158	/nfs/dbraw/zinc/57/41/58/537574158.db2.gz	PGYNJHGGCOKZRX-UHFFFAOYSA-N	-1	3	371.393	1.678	20	10		FDCDHM
CN(C)c1ccc(CNC(=O)N2CCC[C@H]2C[C@@]2(C)NC(=O)[N-]C2=O)cc1	ZINC000285617230	537737879	/nfs/dbraw/zinc/73/78/79/537737879.db2.gz	KDEBDWDUYDCAEB-HNAYVOBHSA-N	-1	3	373.457	1.415	20	10		FDCDHM
COc1ccc(O)c(CNC(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)c1	ZINC000737106612	598921875	/nfs/dbraw/zinc/92/18/75/598921875.db2.gz	WBFVZCFDUDSGOC-LLVKDONJSA-N	-1	3	369.381	1.665	20	10		FDCDHM
COC(=O)CCNC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C	ZINC000736919611	598610096	/nfs/dbraw/zinc/61/00/96/598610096.db2.gz	SYUDQXJPLZNLLP-UHFFFAOYSA-N	-1	3	368.397	1.567	20	10		FDCDHM
CCOC(=O)c1cnn2c1[nH]c(CN[C@@H](C(=O)[O-])c1ccccc1)cc2=O	ZINC000737155227	599759990	/nfs/dbraw/zinc/75/99/90/599759990.db2.gz	RVBPBIKVKXFLIT-OAHLLOKOSA-N	-1	3	370.365	1.527	20	10		FDCDHM
COc1ccc(N2CCN(C(=O)CN3CCC[C@@H](C(=O)[O-])C3)CC2)cc1	ZINC000274189107	600131691	/nfs/dbraw/zinc/13/16/91/600131691.db2.gz	KMSCDBJVDLPFLQ-OAHLLOKOSA-N	-1	3	361.442	1.140	20	10		FDCDHM
O=C([O-])/C=C/c1ccc(N2CCN(C[C@@H]3CCOC3)CC2)c([N+](=O)[O-])c1	ZINC000833196230	601410845	/nfs/dbraw/zinc/41/08/45/601410845.db2.gz	OQQJBRVAIXGANL-OMDKTOEGSA-N	-1	3	361.398	1.851	20	10		FDCDHM
COc1cccc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c1O	ZINC000826216164	607632723	/nfs/dbraw/zinc/63/27/23/607632723.db2.gz	MXISEFRQNUHSFK-UHFFFAOYSA-N	-1	3	361.383	1.059	20	10		FDCDHM
COc1cccc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c1O	ZINC000826216164	607632724	/nfs/dbraw/zinc/63/27/24/607632724.db2.gz	MXISEFRQNUHSFK-UHFFFAOYSA-N	-1	3	361.383	1.059	20	10		FDCDHM
Cc1cc(C(=O)N2CC[C@@](C)(O)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1	ZINC000822168501	606312839	/nfs/dbraw/zinc/31/28/39/606312839.db2.gz	OPUVHWSJPSQGKS-LJQANCHMSA-N	-1	3	366.425	1.871	20	10		FDCDHM
O=C(NCc1ccc(N2CCOCC2)cc1)c1cc(-c2nnn[n-]2)cs1	ZINC000823254396	606556541	/nfs/dbraw/zinc/55/65/41/606556541.db2.gz	SSJWBUTXLCOTLR-UHFFFAOYSA-N	-1	3	370.438	1.695	20	10		FDCDHM
O=C(NCc1ccc(N2CCOCC2)cc1)c1cc(-c2nn[n-]n2)cs1	ZINC000823254396	606556542	/nfs/dbraw/zinc/55/65/42/606556542.db2.gz	SSJWBUTXLCOTLR-UHFFFAOYSA-N	-1	3	370.438	1.695	20	10		FDCDHM
COc1cccc(CNC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1O	ZINC000821867972	607234462	/nfs/dbraw/zinc/23/44/62/607234462.db2.gz	NIJRWLIFQUXLIJ-KTKRTIGZSA-N	-1	3	351.366	1.911	20	10		FDCDHM
COc1cccc(CNC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1O	ZINC000821867972	607234463	/nfs/dbraw/zinc/23/44/63/607234463.db2.gz	NIJRWLIFQUXLIJ-KTKRTIGZSA-N	-1	3	351.366	1.911	20	10		FDCDHM
CN(C)c1cccc(CNC(=S)Nc2ccccc2-c2nnn[n-]2)n1	ZINC000825879042	607842601	/nfs/dbraw/zinc/84/26/01/607842601.db2.gz	GGQMCZIEHILKCM-UHFFFAOYSA-N	-1	3	354.443	1.814	20	10		FDCDHM
CN(C)c1cccc(CNC(=S)Nc2ccccc2-c2nn[n-]n2)n1	ZINC000825879042	607842602	/nfs/dbraw/zinc/84/26/02/607842602.db2.gz	GGQMCZIEHILKCM-UHFFFAOYSA-N	-1	3	354.443	1.814	20	10		FDCDHM
O=C(C=Cc1ccccc1-c1nnn[n-]1)NCCc1ccc(O)c(O)c1	ZINC000826401708	608469333	/nfs/dbraw/zinc/46/93/33/608469333.db2.gz	FHZAMBKZTRYCPW-SOFGYWHQSA-N	-1	3	351.366	1.650	20	10		FDCDHM
O=C(C=Cc1ccccc1-c1nn[n-]n1)NCCc1ccc(O)c(O)c1	ZINC000826401708	608469334	/nfs/dbraw/zinc/46/93/34/608469334.db2.gz	FHZAMBKZTRYCPW-SOFGYWHQSA-N	-1	3	351.366	1.650	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)c1	ZINC000274181843	674586059	/nfs/dbraw/zinc/58/60/59/674586059.db2.gz	DIRRJTLFKQDCGF-ABAIWWIYSA-N	-1	3	354.428	1.451	20	10		FDCDHM
CC[C@@]1(CO)CCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1	ZINC000275263235	674618607	/nfs/dbraw/zinc/61/86/07/674618607.db2.gz	ZEXMJOPFHQCFEC-MRXNPFEDSA-N	-1	3	356.444	1.388	20	10		FDCDHM
CC[C@@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C[C@@H](C)[S@@]1=O	ZINC000287264095	675914031	/nfs/dbraw/zinc/91/40/31/675914031.db2.gz	KEEANVKDTRVUJD-HIBRMCEJSA-N	-1	3	374.484	1.135	20	10		FDCDHM
CC(C)[C@@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCCO1	ZINC000294536568	676387866	/nfs/dbraw/zinc/38/78/66/676387866.db2.gz	SZKXJGGANOROSD-HNNXBMFYSA-N	-1	3	356.444	1.651	20	10		FDCDHM
CN(C)c1ccc([C@H](CNC(=O)CSc2n[nH]c(=O)[n-]2)N(C)C)cc1	ZINC000891247477	774093922	/nfs/dbraw/zinc/09/39/22/774093922.db2.gz	HPEXKKFTSTVGRJ-ZDUSSCGKSA-N	-1	3	364.475	1.088	20	10		FDCDHM
COC(=O)CN(Cc1cnc2n1CCOC2)Cc1cc(Cl)ccc1[O-]	ZINC000891992711	781124724	/nfs/dbraw/zinc/12/47/24/781124724.db2.gz	OJXPJDKRWRDRNT-UHFFFAOYSA-N	-1	3	365.817	1.948	20	10		FDCDHM
C[C@H](NC(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)c1ccc(N(C)C)cc1	ZINC000894283127	815142037	/nfs/dbraw/zinc/14/20/37/815142037.db2.gz	AWJAZYSCFJVYDU-ZFWWWQNUSA-N	-1	3	370.457	1.887	20	10		FDCDHM
C[C@@H](NC(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)c1ccc(N(C)C)cc1	ZINC000894283118	815149009	/nfs/dbraw/zinc/14/90/09/815149009.db2.gz	AWJAZYSCFJVYDU-HIFRSBDPSA-N	-1	3	370.457	1.887	20	10		FDCDHM
C[C@@H](NC(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)c1ccc(N(C)C)cc1	ZINC000894283121	815152431	/nfs/dbraw/zinc/15/24/31/815152431.db2.gz	AWJAZYSCFJVYDU-UKRRQHHQSA-N	-1	3	370.457	1.887	20	10		FDCDHM
COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@H](C)CS(C)(=O)=O	ZINC000757843992	844952595	/nfs/dbraw/zinc/95/25/95/844952595.db2.gz	KNEJKDCPXIZTAV-NSHDSACASA-N	-1	3	363.863	1.701	20	10		FDCDHM
Cc1cc([O-])c(CNCCS(=O)(=O)N=S(C)(C)=O)c(Cl)c1	ZINC000922493189	878358349	/nfs/dbraw/zinc/35/83/49/878358349.db2.gz	MQZOOCJKEAPTIC-UHFFFAOYSA-N	-1	3	354.881	1.501	20	10		FDCDHM
CS(=O)(=O)CC1CCC(NC(=O)NCc2c([O-])cccc2F)CC1	ZINC000922655656	878926062	/nfs/dbraw/zinc/92/60/62/878926062.db2.gz	ARGMMBSLXVQYCE-UHFFFAOYSA-N	-1	3	358.435	1.934	20	10		FDCDHM
O=C(NCc1c([O-])cccc1F)NC1CCN(S(=O)(=O)C2CC2)CC1	ZINC000921387535	887856714	/nfs/dbraw/zinc/85/67/14/887856714.db2.gz	KDQPXWFLONMVLW-UHFFFAOYSA-N	-1	3	371.434	1.287	20	10		FDCDHM
O=C(NCc1c([O-])cccc1F)N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2	ZINC000923323454	888908318	/nfs/dbraw/zinc/90/83/18/888908318.db2.gz	ZFBCSOGOVPQUQT-IAGOWNOFSA-N	-1	3	363.433	1.974	20	10		FDCDHM
CC[C@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)NCc1c([O-])cccc1F	ZINC000921512864	907182665	/nfs/dbraw/zinc/18/26/65/907182665.db2.gz	YUHHSIGJOWBZOS-SMDDNHRTSA-N	-1	3	373.450	1.391	20	10		FDCDHM
O=C(Cc1ccccc1)N1CCCN(C(=O)c2cc(O)c([O-])c(O)c2)CC1	ZINC000169846122	922355379	/nfs/dbraw/zinc/35/53/79/922355379.db2.gz	HTEFZPPYJDHJBJ-UHFFFAOYSA-N	-1	3	370.405	1.721	20	10		FDCDHM
C[C@@](O)(CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccccc1	ZINC000734024591	922816368	/nfs/dbraw/zinc/81/63/68/922816368.db2.gz	TUAUTKBXOCQCRR-QGZVFWFLSA-N	-1	3	364.423	1.401	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCCc2ccc(O)cc2)c1	ZINC000735701050	924521226	/nfs/dbraw/zinc/52/12/26/924521226.db2.gz	ACYMQFPDIOFPJB-UHFFFAOYSA-N	-1	3	364.423	1.832	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCO[C@@H](C(F)(F)F)C2)c1	ZINC000740128112	925345365	/nfs/dbraw/zinc/34/53/65/925345365.db2.gz	LJPQYXJGZOFCCM-LLVKDONJSA-N	-1	3	368.333	1.167	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCC[C@@H]2CCCC[C@H]2O)c1	ZINC000771065117	930411857	/nfs/dbraw/zinc/41/18/57/930411857.db2.gz	OZIAYJRAYRYMCT-SWLSCSKDSA-N	-1	3	370.471	1.825	20	10		FDCDHM
O=C(CNC(=O)c1cccc(O)c1[O-])Nc1ccc(-n2cncn2)cc1	ZINC000790626784	933648268	/nfs/dbraw/zinc/64/82/68/933648268.db2.gz	LQWPQKTXILVNAV-UHFFFAOYSA-N	-1	3	353.338	1.047	20	10		FDCDHM
C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)c2cccc(O)c2[O-])CC1	ZINC000790649509	933674773	/nfs/dbraw/zinc/67/47/73/933674773.db2.gz	GRVJBJLNALDWML-CYBMUJFWSA-N	-1	3	361.442	1.303	20	10		FDCDHM
CC[C@H](NC(=O)c1cccc(O)c1[O-])c1cccc(S(N)(=O)=O)c1	ZINC000790920981	933779331	/nfs/dbraw/zinc/77/93/31/933779331.db2.gz	IEEURRWXPSMPGT-ZDUSSCGKSA-N	-1	3	350.396	1.626	20	10		FDCDHM
Cn1ncc2ccc(CNC(=O)c3cc(NS(C)(=O)=O)ccc3[O-])cc21	ZINC000812584718	941236232	/nfs/dbraw/zinc/23/62/32/941236232.db2.gz	VQCOBBWNKYRVDN-UHFFFAOYSA-N	-1	3	374.422	1.580	20	10		FDCDHM
O=C(NC[C@]1(CO)COCCN1Cc1ccccc1)c1cccc(O)c1[O-]	ZINC000856078400	970889333	/nfs/dbraw/zinc/88/93/33/970889333.db2.gz	PQADKOKZWHXRSA-FQEVSTJZSA-N	-1	3	372.421	1.091	20	10		FDCDHM
COc1ccc(N2CCC(NC(=O)Cc3c(C)nc(C)[n-]c3=O)CC2)cc1	ZINC000102382569	971586497	/nfs/dbraw/zinc/58/64/97/971586497.db2.gz	USDXHSSCOAWMCL-UHFFFAOYSA-N	-1	3	370.453	1.723	20	10		FDCDHM
C[C@@H]([C@H]1Cc2ccccc2O1)N(C)Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1	ZINC000846255679	950803201	/nfs/dbraw/zinc/80/32/01/950803201.db2.gz	LGIILESMGPZOOT-MEDUHNTESA-N	-1	3	368.393	1.957	20	10		FDCDHM
CCOCc1cc(CN[C@H]2CCCCN(CC(=O)[O-])C2=O)ccc1OC	ZINC001591986860	951258282	/nfs/dbraw/zinc/25/82/82/951258282.db2.gz	KEGZENGXCIDDNX-INIZCTEOSA-N	-1	3	364.442	1.787	20	10		FDCDHM
CC1(C)C[C@H](O)CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1	ZINC000857528970	971791758	/nfs/dbraw/zinc/79/17/58/971791758.db2.gz	IDXQTLBHWGHGFJ-GFCCVEGCSA-N	-1	3	356.444	1.387	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC[C@@H](O)CC23CCC3)c1	ZINC000857542696	971794480	/nfs/dbraw/zinc/79/44/80/971794480.db2.gz	VWNHZISNRGZXOU-GFCCVEGCSA-N	-1	3	354.428	1.283	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H](CCO)CC2)c1	ZINC000857544199	971795182	/nfs/dbraw/zinc/79/51/82/971795182.db2.gz	HZLJJFYILRVLMD-LBPRGKRZSA-N	-1	3	356.444	1.388	20	10		FDCDHM
O=C(NC[C@@H]1CCC(=O)N(Cc2ccccc2)C1)c1cc(O)c([O-])c(O)c1	ZINC001148590145	952761287	/nfs/dbraw/zinc/76/12/87/952761287.db2.gz	CGBSMUYYAQGTJP-AWEZNQCLSA-N	-1	3	370.405	1.972	20	10		FDCDHM
COC(=O)C1CC2(C1)C[N@H+](Cc1c(C)cc(OC)cc1[O-])C[C@@H]2C(=O)[O-]	ZINC001593823289	955060560	/nfs/dbraw/zinc/06/05/60/955060560.db2.gz	AQPNFOGPLUUHBE-WXYZLBAPSA-N	-1	3	363.410	1.795	20	10		FDCDHM
COC(=O)C1CC2(C1)C[N@@H+](Cc1c(C)cc(OC)cc1[O-])C[C@@H]2C(=O)[O-]	ZINC001593823289	955060570	/nfs/dbraw/zinc/06/05/70/955060570.db2.gz	AQPNFOGPLUUHBE-WXYZLBAPSA-N	-1	3	363.410	1.795	20	10		FDCDHM
CN(C)c1ccc([C@H](CNC(=O)N2CC[C@@](C)(C(=O)[O-])C2)N(C)C)cc1	ZINC001521234103	962869271	/nfs/dbraw/zinc/86/92/71/962869271.db2.gz	LWXPPIJIMDFPCI-QFBILLFUSA-N	-1	3	362.474	1.862	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCCc3n[nH]cc3C2)c1	ZINC000852978164	967752587	/nfs/dbraw/zinc/75/25/87/967752587.db2.gz	LPUSAAYLSWVMET-UHFFFAOYSA-N	-1	3	350.400	1.075	20	10		FDCDHM
C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)c1cccc(O)c1[O-]	ZINC000776643874	967806789	/nfs/dbraw/zinc/80/67/89/967806789.db2.gz	JBAFPHJESLHSLE-SNVBAGLBSA-N	-1	3	350.396	1.578	20	10		FDCDHM
COc1ccc(N2CC[C@@H](C[N-]S(=O)(=O)c3conc3C)C2)cc1	ZINC000867428105	975237489	/nfs/dbraw/zinc/23/74/89/975237489.db2.gz	GCISGRUAOCTDJW-ZDUSSCGKSA-N	-1	3	351.428	1.796	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H](C2CC2)[C@H]2CCCCO2)c1	ZINC000848267925	976552163	/nfs/dbraw/zinc/55/21/63/976552163.db2.gz	WZQACZIESFPNLD-HZPDHXFCSA-N	-1	3	368.455	1.841	20	10		FDCDHM
CC(C)(C(N)=O)N1CCN(Cc2c([O-])cccc2Br)CC1	ZINC000862249572	984282689	/nfs/dbraw/zinc/28/26/89/984282689.db2.gz	UVWVTCYYSBRAAP-UHFFFAOYSA-N	-1	3	356.264	1.536	20	10		FDCDHM
CCC(C)(C)OC1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1	ZINC000862717671	984505015	/nfs/dbraw/zinc/50/50/15/984505015.db2.gz	RTHJGBQHDYLGFW-UHFFFAOYSA-N	-1	3	356.444	1.793	20	10		FDCDHM
CC(C)COC(=O)[C@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000271011771	674298699	/nfs/dbraw/zinc/29/86/99/674298699.db2.gz	ZIPJTXSCNHGNMQ-JTQLQIEISA-N	-1	3	358.416	1.081	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N(Cc2cccnc2)C2CC2)c1	ZINC000271194537	674320415	/nfs/dbraw/zinc/32/04/15/674320415.db2.gz	HCYHNDDOZBEYAD-UHFFFAOYSA-N	-1	3	361.423	1.964	20	10		FDCDHM
COC(=O)[C@H](CC(C)C)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000271200656	674321575	/nfs/dbraw/zinc/32/15/75/674321575.db2.gz	IVOKSYREWFEFMX-LBPRGKRZSA-N	-1	3	358.416	1.081	20	10		FDCDHM
CC(C)(C)NC(=O)NC(=O)CN(Cc1ccccc1[O-])C[C@@H]1CCCO1	ZINC000070976260	522069464	/nfs/dbraw/zinc/06/94/64/522069464.db2.gz	CORPLNACEQUDQS-HNNXBMFYSA-N	-1	3	363.458	1.998	20	10		FDCDHM
CCCN(Cc1ccccc1[O-])[C@@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1	ZINC000076074037	523017363	/nfs/dbraw/zinc/01/73/63/523017363.db2.gz	SEWOFPRFQZSIGU-DZGCQCFKSA-N	-1	3	354.472	1.296	20	10		FDCDHM
C[N-]S(=O)(=O)c1cc(C(=O)NCc2ccc(N(C)C)c(F)c2)c(C)o1	ZINC000081727479	524174021	/nfs/dbraw/zinc/17/40/21/524174021.db2.gz	SAXCVNQAWHIGMY-UHFFFAOYSA-N	-1	3	369.418	1.631	20	10		FDCDHM
CCN(CC)c1ccc(CNC(=O)C2CC3(C2)NC(=O)[N-]C3=O)cc1F	ZINC000158027774	524386332	/nfs/dbraw/zinc/38/63/32/524386332.db2.gz	FSUVBNTZQFDYSE-UHFFFAOYSA-N	-1	3	362.405	1.276	20	10		FDCDHM
O=S(=O)(CCNCc1c([O-])cccc1Cl)NC[C@H]1CCCCO1	ZINC000113341626	524670098	/nfs/dbraw/zinc/67/00/98/524670098.db2.gz	GCBGZAIVURAFFX-GFCCVEGCSA-N	-1	3	362.879	1.624	20	10		FDCDHM
CCN(C)S(=O)(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1	ZINC000161832543	525176697	/nfs/dbraw/zinc/17/66/97/525176697.db2.gz	GUEUMFUDRHNNIY-CQSZACIVSA-N	-1	3	361.895	1.796	20	10		FDCDHM
CC(=O)c1cc(F)cc(CN2CCN(CC(=O)N3CCCC3)CC2)c1[O-]	ZINC000177234729	525259332	/nfs/dbraw/zinc/25/93/32/525259332.db2.gz	WMMWCRBPYZFJPZ-UHFFFAOYSA-N	-1	3	363.433	1.474	20	10		FDCDHM
Cc1ccc(C(=O)NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)c([O-])c1O	ZINC000182945305	535892345	/nfs/dbraw/zinc/89/23/45/535892345.db2.gz	ISMXGUSNSQWCBP-JKSUJKDBSA-N	-1	3	356.422	1.771	20	10		FDCDHM
COc1cc(Cl)cc(CN2CCN(CC(=O)NC3CC3)CC2)c1[O-]	ZINC000184675428	536175093	/nfs/dbraw/zinc/17/50/93/536175093.db2.gz	BQELWUNXSNWNSG-UHFFFAOYSA-N	-1	3	353.850	1.450	20	10		FDCDHM
C[C@@H]1CCN(C(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)c2c([O-])cccc21	ZINC000186313857	536231814	/nfs/dbraw/zinc/23/18/14/536231814.db2.gz	HAKABLGQIGQSTG-ABZNLYFFSA-N	-1	3	355.394	1.343	20	10		FDCDHM
CCC[C@]1(CO)CCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000278167915	537269465	/nfs/dbraw/zinc/26/94/65/537269465.db2.gz	PVYQMWOKZMQMFD-MRXNPFEDSA-N	-1	3	356.444	1.531	20	10		FDCDHM
C[C@H]1N(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCC12CCOCC2	ZINC000363846467	537341429	/nfs/dbraw/zinc/34/14/29/537341429.db2.gz	CKIPYVXCYYXINI-GFCCVEGCSA-N	-1	3	368.455	1.795	20	10		FDCDHM
CCOC(CCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])OCC	ZINC000276265479	537375245	/nfs/dbraw/zinc/37/52/45/537375245.db2.gz	SLJNCPKRDOHOQE-UHFFFAOYSA-N	-1	3	360.432	1.283	20	10		FDCDHM
COc1cc(Br)cc(CN2CC[C@@H]3OCC(=O)N[C@H]3C2)c1[O-]	ZINC000370716642	538091008	/nfs/dbraw/zinc/09/10/08/538091008.db2.gz	NKNDUFTYZISEGF-RYUDHWBXSA-N	-1	3	371.231	1.253	20	10		FDCDHM
NC(=O)c1ccc(NC(=S)NNc2ccc(-c3nn[n-]n3)cc2)cc1	ZINC000737760644	598321123	/nfs/dbraw/zinc/32/11/23/598321123.db2.gz	PRNRLSOBBVPJTK-UHFFFAOYSA-N	-1	3	354.399	1.279	20	10		FDCDHM
Cc1cc(C(=O)N2CCC(O)CC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1	ZINC000737233026	598610687	/nfs/dbraw/zinc/61/06/87/598610687.db2.gz	CRERBAZBZTUJRV-UHFFFAOYSA-N	-1	3	366.425	1.871	20	10		FDCDHM
Cc1cc(C(=O)O[C@H]2CCOC2=O)c(C)n1-c1ccc(-c2nn[n-]n2)cc1	ZINC000737238949	598623101	/nfs/dbraw/zinc/62/31/01/598623101.db2.gz	VJWNBCVJLDNVRU-HNNXBMFYSA-N	-1	3	367.365	1.747	20	10		FDCDHM
C[C@@H]1C[C@@H](CNC(=O)[O-])CN1CC(=O)N(C)Cc1ccc(N(C)C)cc1	ZINC000833832662	605904505	/nfs/dbraw/zinc/90/45/05/605904505.db2.gz	UMVDSNUQBZTUSD-ZBFHGGJFSA-N	-1	3	362.474	1.689	20	10		FDCDHM
CN(Cc1ccc(N2CCOCC2)cc1)c1cnccc1-c1nnn[n-]1	ZINC000825965722	608768835	/nfs/dbraw/zinc/76/88/35/608768835.db2.gz	DXQOQLHEJNOSIJ-UHFFFAOYSA-N	-1	3	351.414	1.735	20	10		FDCDHM
CN(Cc1ccc(N2CCOCC2)cc1)c1cnccc1-c1nn[n-]n1	ZINC000825965722	608768837	/nfs/dbraw/zinc/76/88/37/608768837.db2.gz	DXQOQLHEJNOSIJ-UHFFFAOYSA-N	-1	3	351.414	1.735	20	10		FDCDHM
CC(C)C[C@@]1(CO)CCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000276852387	674782389	/nfs/dbraw/zinc/78/23/89/674782389.db2.gz	IRNPOEYPEPMLHE-QGZVFWFLSA-N	-1	3	370.471	1.777	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCCc2nccs2)c1	ZINC000264081871	672900742	/nfs/dbraw/zinc/90/07/42/672900742.db2.gz	DARSUVRBXUJWDM-UHFFFAOYSA-N	-1	3	355.441	1.583	20	10		FDCDHM
O=C(c1cccc(O)c1[O-])N1CCN(c2nnc(C(F)(F)F)s2)CC1	ZINC000280499499	675429301	/nfs/dbraw/zinc/42/93/01/675429301.db2.gz	PKHXYYQTGKATNX-UHFFFAOYSA-N	-1	3	374.344	1.931	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H]2Cc3ccccc3[C@H]2O)c1	ZINC000370239022	677556004	/nfs/dbraw/zinc/55/60/04/677556004.db2.gz	RCGXXIUPXMTHMD-GOEBONIOSA-N	-1	3	362.407	1.152	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC2(C3CC3)CCOCC2)c1	ZINC000372201060	677865865	/nfs/dbraw/zinc/86/58/65/677865865.db2.gz	LCWUIXUCWKXJBV-UHFFFAOYSA-N	-1	3	354.428	1.453	20	10		FDCDHM
CC(C)(C)[C@H](NC(=O)c1cccc(O)c1[O-])c1nc(-c2nc[nH]n2)no1	ZINC000275012348	771038345	/nfs/dbraw/zinc/03/83/45/771038345.db2.gz	XMGVWUKEEBRERD-LLVKDONJSA-N	-1	3	358.358	1.783	20	10		FDCDHM
O=C(Nc1cccc(C(=O)N2CCC[C@@H](O)C2)c1)c1cccc(O)c1[O-]	ZINC000275118489	771351389	/nfs/dbraw/zinc/35/13/89/771351389.db2.gz	LXNKWHCHIKLZHY-CQSZACIVSA-N	-1	3	356.378	1.947	20	10		FDCDHM
CN(C)[S@@](C)(=O)=NCC1CCN(C(=O)c2cccc(O)c2[O-])CC1	ZINC000891140894	773394905	/nfs/dbraw/zinc/39/49/05/773394905.db2.gz	MGDJVVPCWJCPTJ-DEOSSOPVSA-N	-1	3	355.460	1.524	20	10		FDCDHM
CN(C)c1ccc([C@H](CNC(=O)c2c[n-]n3c2nccc3=O)N(C)C)cc1	ZINC000891247079	774091266	/nfs/dbraw/zinc/09/12/66/774091266.db2.gz	HEMTXCRPMQSHNY-INIZCTEOSA-N	-1	3	368.441	1.121	20	10		FDCDHM
CN(C)c1ccc(CNC(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)cc1F	ZINC000892485130	785170119	/nfs/dbraw/zinc/17/01/19/785170119.db2.gz	DNWMSSSNAQVUJF-ZDUSSCGKSA-N	-1	3	374.420	1.465	20	10		FDCDHM
CCOC(=O)c1nnc([C@@H](C)NCc2ccc(N3CCOCC3)cc2)[n-]1	ZINC000895237209	822126472	/nfs/dbraw/zinc/12/64/72/822126472.db2.gz	RZKDSBXBWHWTNF-CYBMUJFWSA-N	-1	3	359.430	1.669	20	10		FDCDHM
CN1C(=O)C[C@H](CNC(=O)NCc2c([O-])cccc2F)[C@H]1c1cccnc1	ZINC000922983670	887647997	/nfs/dbraw/zinc/64/79/97/887647997.db2.gz	BULZEGGCZUZKDC-FZKQIMNGSA-N	-1	3	372.400	1.945	20	10		FDCDHM
CN(OCC(F)(F)F)C(=O)CNC(=O)NCc1c([O-])cccc1F	ZINC000923376772	889047704	/nfs/dbraw/zinc/04/77/04/889047704.db2.gz	FXEFEPJSBOTSNC-UHFFFAOYSA-N	-1	3	353.272	1.283	20	10		FDCDHM
CC[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)NCc1c([O-])cccc1F	ZINC000921512857	907158177	/nfs/dbraw/zinc/15/81/77/907158177.db2.gz	YUHHSIGJOWBZOS-BXUZGUMPSA-N	-1	3	373.450	1.391	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCCNc2ccccc2)c1	ZINC000731812264	918656914	/nfs/dbraw/zinc/65/69/14/918656914.db2.gz	YAGBMNYOPLRHAQ-UHFFFAOYSA-N	-1	3	363.439	1.996	20	10		FDCDHM
COC(=O)CN(CC(=O)NC(=O)NC1CC1)Cc1cc(Cl)ccc1[O-]	ZINC000731844557	918669510	/nfs/dbraw/zinc/66/95/10/918669510.db2.gz	GDMCGKPDXVRTTH-UHFFFAOYSA-N	-1	3	369.805	1.009	20	10		FDCDHM
CO[C@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C(F)(F)F	ZINC000733366955	921036969	/nfs/dbraw/zinc/03/69/69/921036969.db2.gz	GMVBRACZQDGMPD-SNVBAGLBSA-N	-1	3	356.322	1.071	20	10		FDCDHM
COc1ccc(O)c(CNC(=O)CCNC(=O)c2ccc(C)cc2[O-])c1	ZINC000734015054	922804890	/nfs/dbraw/zinc/80/48/90/922804890.db2.gz	WXYXZKCWDNTCIX-UHFFFAOYSA-N	-1	3	358.394	1.851	20	10		FDCDHM
O=C(NC[C@@H]1CCCO1)c1cccc(CNC(=O)c2cccc(O)c2[O-])c1	ZINC000790580968	933613003	/nfs/dbraw/zinc/61/30/03/933613003.db2.gz	WLPNPFGMXSNDHD-HNNXBMFYSA-N	-1	3	370.405	1.937	20	10		FDCDHM
O=C(NCc1ccc(N2CCSCC2)cc1)c1cc(-c2nnn[n-]2)c[nH]1	ZINC000823254610	946358673	/nfs/dbraw/zinc/35/86/73/946358673.db2.gz	ZHTIJYAGIDTNIT-UHFFFAOYSA-N	-1	3	369.454	1.678	20	10		FDCDHM
O=C(NCc1ccc(N2CCSCC2)cc1)c1cc(-c2nn[n-]n2)c[nH]1	ZINC000823254610	946358683	/nfs/dbraw/zinc/35/86/83/946358683.db2.gz	ZHTIJYAGIDTNIT-UHFFFAOYSA-N	-1	3	369.454	1.678	20	10		FDCDHM
O=C(CN1CCCC1)N1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1	ZINC000775676153	971357808	/nfs/dbraw/zinc/35/78/08/971357808.db2.gz	MQSYZZBOMJQOCQ-UHFFFAOYSA-N	-1	3	355.841	1.925	20	10		FDCDHM
CCOC(=O)CS(=O)(=O)NCc1cc(Cl)c2cccnc2c1[O-]	ZINC001195992157	971393083	/nfs/dbraw/zinc/39/30/83/971393083.db2.gz	VKXSSEDUTCUDDL-UHFFFAOYSA-N	-1	3	358.803	1.576	20	10		FDCDHM
O=S(=O)([N-]N=c1[nH]c2cccnc2s1)c1cn2c(n1)CCCC2	ZINC000857225486	971658304	/nfs/dbraw/zinc/65/83/04/971658304.db2.gz	NFYPKBNQPHLLEU-UHFFFAOYSA-N	-1	3	350.429	1.530	20	10		FDCDHM
O=C(c1cccc(O)c1[O-])N1C[C@@H](N2CCCC2=O)[C@H]2OCCC[C@H]2C1	ZINC001148213553	952648347	/nfs/dbraw/zinc/64/83/47/952648347.db2.gz	GYADFXDWYXVSMY-WRSAYESZSA-N	-1	3	360.410	1.340	20	10		FDCDHM
O=C(c1cc(O)c([O-])c(O)c1)N1Cc2cncn2C[C@H](COCC2CC2)C1	ZINC001148582557	952757097	/nfs/dbraw/zinc/75/70/97/952757097.db2.gz	KWGJLLYAPMCFIG-CYBMUJFWSA-N	-1	3	373.409	1.699	20	10		FDCDHM
O=C(c1cc(O)c([O-])c(O)c1)N1CCN(c2cccc3n[nH]cc32)CC1	ZINC001148583934	952757866	/nfs/dbraw/zinc/75/78/66/952757866.db2.gz	HUYWTFTUWJYSGS-UHFFFAOYSA-N	-1	3	354.366	1.642	20	10		FDCDHM
Cn1cc(Br)cc(NC(=O)c2cc(O)c([O-])c(O)c2)c1=O	ZINC001148586408	952759087	/nfs/dbraw/zinc/75/90/87/952759087.db2.gz	OCZKPJMYVJVLFS-UHFFFAOYSA-N	-1	3	355.144	1.517	20	10		FDCDHM
CS(=O)(=O)c1cc(F)c(NC(=O)c2cc(O)c([O-])c(O)c2)cc1F	ZINC001148586530	952759129	/nfs/dbraw/zinc/75/91/29/952759129.db2.gz	REINSEABIZVKRA-UHFFFAOYSA-N	-1	3	359.306	1.737	20	10		FDCDHM
Nc1ccc(N(Cc2ccccc2)C(=O)Cn2cc(F)c(=O)[n-]c2=O)cc1	ZINC001183660986	963234599	/nfs/dbraw/zinc/23/45/99/963234599.db2.gz	MBGFHPCTKHZPIL-UHFFFAOYSA-N	-1	3	368.368	1.904	20	10		FDCDHM
CC(=O)c1cc(Cl)cc(CN[C@](C)(Cn2cccn2)C(N)=O)c1[O-]	ZINC001176861273	963573546	/nfs/dbraw/zinc/57/35/46/963573546.db2.gz	WPSORJKIIZNHFJ-MRXNPFEDSA-N	-1	3	350.806	1.479	20	10		FDCDHM
COc1c([O-])c(CN2CCN(Cc3cnn(C)c3)CC2)ccc1[N+](=O)[O-]	ZINC000774877234	963937742	/nfs/dbraw/zinc/93/77/42/963937742.db2.gz	XDENOQLPVMCYTN-UHFFFAOYSA-N	-1	3	361.402	1.360	20	10		FDCDHM
CCN(Cc1cc(Br)ccc1[O-])c1cc(=O)n(C)c(=O)n1C	ZINC000853451620	968020765	/nfs/dbraw/zinc/02/07/65/968020765.db2.gz	NXHNNIAQWFRJNU-UHFFFAOYSA-N	-1	3	368.231	1.579	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC[C@@H]2CCC3(CCCC3)O2)c1	ZINC000848359077	976679776	/nfs/dbraw/zinc/67/97/76/976679776.db2.gz	NHUHNIFZTQSWDP-ZDUSSCGKSA-N	-1	3	368.455	1.985	20	10		FDCDHM
O=C(NCc1ccc(N2CCOCC2)cc1)c1nnc2ccccc2c1[O-]	ZINC000109956109	978906296	/nfs/dbraw/zinc/90/62/96/978906296.db2.gz	PYBFPLZQJAMWGI-UHFFFAOYSA-N	-1	3	364.405	1.690	20	10		FDCDHM
C[C@H](NC1CN(S(=O)(=O)N(C)C)C1)c1ccc(Cl)c(Cl)c1[O-]	ZINC000858569162	982121012	/nfs/dbraw/zinc/12/10/12/982121012.db2.gz	ANCWXNRDHIHZEK-QMMMGPOBSA-N	-1	3	368.286	1.840	20	10		FDCDHM
CCNC(=O)Nc1c[nH]nc1[C@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1	ZINC000365756591	988050082	/nfs/dbraw/zinc/05/00/82/988050082.db2.gz	GDAXMPPHAFKKGL-NSHDSACASA-N	-1	3	373.413	1.982	20	10		FDCDHM
CNC(=O)c1cc(O[C@H]2CCN(C(=O)c3cccc(O)c3[O-])C2)ccn1	ZINC000370040465	989408710	/nfs/dbraw/zinc/40/87/10/989408710.db2.gz	KUWIHTISXYEZPU-LBPRGKRZSA-N	-1	3	357.366	1.146	20	10		FDCDHM
CN(C)c1ccc(CN(C)C(=O)CN2CCSC[C@H](C(=O)[O-])C2)cc1	ZINC001598519483	992662210	/nfs/dbraw/zinc/66/22/10/992662210.db2.gz	SOQXCBFXRLOHNE-OAHLLOKOSA-N	-1	3	365.499	1.461	20	10		FDCDHM
C[C@H]([NH2+]CC1(N2CCOCC2)CCOCC1)c1cc(C(=O)[O-])ccc1[O-]	ZINC001593248197	994470221	/nfs/dbraw/zinc/47/02/21/994470221.db2.gz	JYMFPJWERALBDD-AWEZNQCLSA-N	-1	3	364.442	1.622	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H]2C2CCOCC2)c1	ZINC000777495667	999114632	/nfs/dbraw/zinc/11/46/32/999114632.db2.gz	HGJGXRVVGQYPLT-HNNXBMFYSA-N	-1	3	368.455	1.795	20	10		FDCDHM
O=C(CSc1nnnn1CC(F)(F)F)NCc1c([O-])cccc1F	ZINC000928711981	1001633724	/nfs/dbraw/zinc/63/37/24/1001633724.db2.gz	MMAYSGPOOGSFJB-UHFFFAOYSA-N	-1	3	365.312	1.489	20	10		FDCDHM
O=C(c1cccc(O)c1[O-])N1CCN(C(=O)c2ccc(F)cc2F)CC1	ZINC000188369984	1001834711	/nfs/dbraw/zinc/83/47/11/1001834711.db2.gz	OGFRBNNCLKIYPD-UHFFFAOYSA-N	-1	3	362.332	1.974	20	10		FDCDHM
COC[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccc(C)o1	ZINC000271432031	674343109	/nfs/dbraw/zinc/34/31/09/674343109.db2.gz	TWOQMCJUZWPBKP-ZDUSSCGKSA-N	-1	3	368.411	1.783	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCN(C3CCCC3)CC2)c1	ZINC000055216179	523769895	/nfs/dbraw/zinc/76/98/95/523769895.db2.gz	AZDHADXMKWFEGJ-UHFFFAOYSA-N	-1	3	367.471	1.464	20	10		FDCDHM
CC(=O)c1cc(F)cc(CN2CC[C@@H](S(=O)(=O)N3CCCC3)C2)c1[O-]	ZINC000135729501	524167201	/nfs/dbraw/zinc/16/72/01/524167201.db2.gz	HCDHDEUMRAFZHN-OAHLLOKOSA-N	-1	3	370.446	1.734	20	10		FDCDHM
CN(C)c1nc(N)nc(CN(Cc2ccccc2[O-])C[C@@H]2CCCO2)n1	ZINC000083171137	524243357	/nfs/dbraw/zinc/24/33/57/524243357.db2.gz	BNYLXLDNAAJMNS-AWEZNQCLSA-N	-1	3	358.446	1.407	20	10		FDCDHM
Cc1ccc(C(=O)NCC2CCN(C(=O)C(F)(F)F)CC2)c([O-])c1O	ZINC000179521271	525596536	/nfs/dbraw/zinc/59/65/36/525596536.db2.gz	GVIZJODEZFRVOG-UHFFFAOYSA-N	-1	3	360.332	1.937	20	10		FDCDHM
Cc1cc(Cl)cc(CN2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c1[O-]	ZINC000179607623	525605782	/nfs/dbraw/zinc/60/57/82/525605782.db2.gz	KIFAHIVZLHQVBT-OAHLLOKOSA-N	-1	3	358.891	1.659	20	10		FDCDHM
Cc1cc(Br)cc(CN2CCN(C(=O)[C@H](C)O)CC2)c1[O-]	ZINC000180497276	525711451	/nfs/dbraw/zinc/71/14/51/525711451.db2.gz	GWGSIVSQCHXLMK-NSHDSACASA-N	-1	3	357.248	1.488	20	10		FDCDHM
COC(=O)[C@@H](CNC(=O)c1ccc(C)c(O)c1[O-])Cc1ccc(O)cc1	ZINC000272857722	537348182	/nfs/dbraw/zinc/34/81/82/537348182.db2.gz	UJGHYQQLCSKGGN-CYBMUJFWSA-N	-1	3	359.378	1.874	20	10		FDCDHM
COc1cc(Cl)cc(CN2CC[C@@H](S(=O)(=O)NC(C)C)C2)c1[O-]	ZINC000363909888	537362626	/nfs/dbraw/zinc/36/26/26/537362626.db2.gz	PDRCDDMBKHKGNP-CYBMUJFWSA-N	-1	3	362.879	1.956	20	10		FDCDHM
C[C@@H]1CN(C(=O)C2CCN(C(=O)c3cccc(O)c3[O-])CC2)C[C@@H](C)O1	ZINC000363934294	537373303	/nfs/dbraw/zinc/37/33/03/537373303.db2.gz	WYALCDVPOZZANF-CHWSQXEVSA-N	-1	3	362.426	1.586	20	10		FDCDHM
C[C@]1(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCO[C@H]1C1CC1	ZINC000273499640	537455207	/nfs/dbraw/zinc/45/52/07/537455207.db2.gz	NWGAFHRRTNKJBK-HOCLYGCPSA-N	-1	3	354.428	1.451	20	10		FDCDHM
CO[C@@H]1[C@@H](C)[C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1(C)C	ZINC000271994432	674403755	/nfs/dbraw/zinc/40/37/55/674403755.db2.gz	QMAORSVELJLJDR-QCZZGDTMSA-N	-1	3	356.444	1.553	20	10		FDCDHM
Cc1c(NC(=O)NCCc2ccc(O)c(O)c2)cccc1-c1nnn[n-]1	ZINC000822095257	607293541	/nfs/dbraw/zinc/29/35/41/607293541.db2.gz	BPCNFJXWJGONFI-UHFFFAOYSA-N	-1	3	354.370	1.951	20	10		FDCDHM
Cc1c(NC(=O)NCCc2ccc(O)c(O)c2)cccc1-c1nn[n-]n1	ZINC000822095257	607293542	/nfs/dbraw/zinc/29/35/42/607293542.db2.gz	BPCNFJXWJGONFI-UHFFFAOYSA-N	-1	3	354.370	1.951	20	10		FDCDHM
CN(CCCN1CCN(C)CC1)c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-]	ZINC000737528779	600177814	/nfs/dbraw/zinc/17/78/14/600177814.db2.gz	OJWUQLPTGFJDNM-FNORWQNLSA-N	-1	3	362.430	1.766	20	10		FDCDHM
Cc1cc(C(=O)N(C)[C@@H](C)CO)c(C)n1-c1ccc(-c2nn[n-]n2)cc1	ZINC000826257062	608204664	/nfs/dbraw/zinc/20/46/64/608204664.db2.gz	LVIBADHIEZTQQO-LBPRGKRZSA-N	-1	3	354.414	1.727	20	10		FDCDHM
CN(C)c1ccc(CNC(=O)CNc2ccc(-c3nnn[n-]3)cn2)cc1F	ZINC000825879426	608221978	/nfs/dbraw/zinc/22/19/78/608221978.db2.gz	NCOSWERBPXUKIA-UHFFFAOYSA-N	-1	3	370.392	1.195	20	10		FDCDHM
CN(C)c1ccc(CNC(=O)CNc2ccc(-c3nn[n-]n3)cn2)cc1F	ZINC000825879426	608221980	/nfs/dbraw/zinc/22/19/80/608221980.db2.gz	NCOSWERBPXUKIA-UHFFFAOYSA-N	-1	3	370.392	1.195	20	10		FDCDHM
COc1ccc(CNC(=O)c2ccc(C)c(O)c2O)cc1-c1nnn[n-]1	ZINC000826200970	609252722	/nfs/dbraw/zinc/25/27/22/609252722.db2.gz	RAQNWWLOBYEKAL-UHFFFAOYSA-N	-1	3	355.354	1.525	20	10		FDCDHM
COc1ccc(CNC(=O)c2ccc(C)c(O)c2O)cc1-c1nn[n-]n1	ZINC000826200970	609252724	/nfs/dbraw/zinc/25/27/24/609252724.db2.gz	RAQNWWLOBYEKAL-UHFFFAOYSA-N	-1	3	355.354	1.525	20	10		FDCDHM
COCCCS(=O)(=O)N1CCN(Cc2cc(Cl)ccc2[O-])CC1	ZINC000092062676	671514473	/nfs/dbraw/zinc/51/44/73/671514473.db2.gz	KDTMOPKIGSEIQV-UHFFFAOYSA-N	-1	3	362.879	1.530	20	10		FDCDHM
COC(=O)CN(CC(=O)NCC1CCC1)Cc1cc(Cl)ccc1[O-]	ZINC000109779575	671624363	/nfs/dbraw/zinc/62/43/63/671624363.db2.gz	NAFIJFBMNLOBOP-UHFFFAOYSA-N	-1	3	354.834	1.937	20	10		FDCDHM
CS(=O)(=O)N[C@@H]1CCCN(Cc2cc(Br)ccc2[O-])C1	ZINC000154042196	671913309	/nfs/dbraw/zinc/91/33/09/671913309.db2.gz	DNOMQJDWYKSQDI-GFCCVEGCSA-N	-1	3	363.277	1.668	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC3(C2)CCOCC3)c1	ZINC000266511858	673135711	/nfs/dbraw/zinc/13/57/11/673135711.db2.gz	HZGWEGIYWATKRI-UHFFFAOYSA-N	-1	3	354.428	1.406	20	10		FDCDHM
CC(=O)c1cc(F)cc(CN2CCC(N(C)S(C)(=O)=O)CC2)c1[O-]	ZINC000267444770	673304688	/nfs/dbraw/zinc/30/46/88/673304688.db2.gz	JLUOXOCSPNBLPP-UHFFFAOYSA-N	-1	3	358.435	1.590	20	10		FDCDHM
CC(C)(C)n1ncnc1CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000282170935	675608624	/nfs/dbraw/zinc/60/86/24/675608624.db2.gz	PPNUQQIJBDTKCU-UHFFFAOYSA-N	-1	3	367.431	1.040	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC[C@H](CO)C2CCCCC2)c1	ZINC000294702596	676396254	/nfs/dbraw/zinc/39/62/54/676396254.db2.gz	VEFZKJKTGLYLEG-CYBMUJFWSA-N	-1	3	370.471	1.682	20	10		FDCDHM
CNC(=O)NC[C@H]1CN(Cc2cc(Br)ccc2[O-])CCO1	ZINC000529644768	694790849	/nfs/dbraw/zinc/79/08/49/694790849.db2.gz	XEFJPKJKWARIKU-LBPRGKRZSA-N	-1	3	358.236	1.285	20	10		FDCDHM
Cc1nn(C)c(C)c1[C@H]1[C@H](CNC(=O)c2cccc(O)c2[O-])CC(=O)N1C	ZINC000375676883	782259957	/nfs/dbraw/zinc/25/99/57/782259957.db2.gz	HVXNQTVPRFYGLM-YVEFUNNKSA-N	-1	3	372.425	1.398	20	10		FDCDHM
CN(C)[S@](C)(=O)=NCC1CCN(C(=O)c2cccc(O)c2[O-])CC1	ZINC000891140895	773395173	/nfs/dbraw/zinc/39/51/73/773395173.db2.gz	MGDJVVPCWJCPTJ-XMMPIXPASA-N	-1	3	355.460	1.524	20	10		FDCDHM
C[C@H]1CN(Cc2cc(F)cc(F)c2[O-])CCN1c1nccn2cnnc12	ZINC000894086724	809896165	/nfs/dbraw/zinc/89/61/65/809896165.db2.gz	ZTDLOCCKVXYJKL-NSHDSACASA-N	-1	3	360.368	1.819	20	10		FDCDHM
O=C(CN1CCN(C(=O)c2cccc(O)c2[O-])CC1)NC1CCCCC1	ZINC000280449045	811819578	/nfs/dbraw/zinc/81/95/78/811819578.db2.gz	KNYYALSZVGZLIV-UHFFFAOYSA-N	-1	3	361.442	1.305	20	10		FDCDHM
NC(=O)C1CCN(c2ccc(C[N-]C(=O)C(F)(F)C(F)F)cc2)CC1	ZINC000894597257	818237804	/nfs/dbraw/zinc/23/78/04/818237804.db2.gz	JPURRNKVIDGUNY-UHFFFAOYSA-N	-1	3	361.339	1.905	20	10		FDCDHM
CC1CCC(NS(=O)(=O)CC(=O)NCc2c([O-])cccc2F)CC1	ZINC000928712668	828204721	/nfs/dbraw/zinc/20/47/21/828204721.db2.gz	VRYSJJRFMCALSP-UHFFFAOYSA-N	-1	3	358.435	1.646	20	10		FDCDHM
CS(=O)(=O)C[C@H]1CN(Cc2c([O-])cccc2Br)CCO1	ZINC000897599317	839903644	/nfs/dbraw/zinc/90/36/44/839903644.db2.gz	MVBXMFDJNJKSAW-SNVBAGLBSA-N	-1	3	364.261	1.400	20	10		FDCDHM
C[C@H](O[C@@H](C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C(=O)[O-]	ZINC000899855437	846788990	/nfs/dbraw/zinc/78/89/90/846788990.db2.gz	WNPMLDSVRPIVDL-XEZPLFJOSA-N	-1	3	351.447	1.350	20	10		FDCDHM
O=C(NCc1ccnc(N2CCOCC2)c1)NCc1c([O-])cccc1F	ZINC000914031564	870410282	/nfs/dbraw/zinc/41/02/82/870410282.db2.gz	BIYKOMQCFTYOFU-UHFFFAOYSA-N	-1	3	360.389	1.762	20	10		FDCDHM
Cc1nc2c(c(=O)[n-]1)CN(CC(=O)N(C)Cc1ccc(N(C)C)cc1)C2	ZINC000825275709	923556091	/nfs/dbraw/zinc/55/60/91/923556091.db2.gz	QTNBYPWBLORJOS-UHFFFAOYSA-N	-1	3	355.442	1.531	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCc2ccccc2CO)c1	ZINC000744326607	926644232	/nfs/dbraw/zinc/64/42/32/926644232.db2.gz	RXVXDWZCWBHVOR-UHFFFAOYSA-N	-1	3	350.396	1.186	20	10		FDCDHM
COC(=O)[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C(C)(C)C	ZINC000769863556	929704887	/nfs/dbraw/zinc/70/48/87/929704887.db2.gz	MOSIJJJLEZHYIC-LBPRGKRZSA-N	-1	3	358.416	1.081	20	10		FDCDHM
CCS(=O)(=O)CCn1cc(C)c(NC(=O)c2cccc(O)c2[O-])n1	ZINC000787799727	932425525	/nfs/dbraw/zinc/42/55/25/932425525.db2.gz	RMISZIIHMSZVCF-UHFFFAOYSA-N	-1	3	353.400	1.290	20	10		FDCDHM
Cc1cc(Br)c([O-])c(CNCc2nnc3n2CCOC3)c1	ZINC000791008484	933820645	/nfs/dbraw/zinc/82/06/45/933820645.db2.gz	XMBMQGGYUNHICU-UHFFFAOYSA-N	-1	3	353.220	1.875	20	10		FDCDHM
CN1C(=O)NC2(CCN(Cc3cccc(Br)c3[O-])CC2)C1=O	ZINC000809749993	940894933	/nfs/dbraw/zinc/89/49/33/940894933.db2.gz	ODJJPXFFQQIZKB-UHFFFAOYSA-N	-1	3	368.231	1.671	20	10		FDCDHM
CNS(=O)(=O)[C@@H]1CCCN(Cc2ccc(Br)cc2[O-])C1	ZINC000824808877	946780988	/nfs/dbraw/zinc/78/09/88/946780988.db2.gz	NOEVZKQEMPSNGU-GFCCVEGCSA-N	-1	3	363.277	1.668	20	10		FDCDHM
O=C(c1cccc(O)c1[O-])N(Cc1cccnc1)[C@H]1CCS(=O)(=O)C1	ZINC001136959118	946868513	/nfs/dbraw/zinc/86/85/13/946868513.db2.gz	VEYWNVGDZQAQFK-ZDUSSCGKSA-N	-1	3	362.407	1.322	20	10		FDCDHM
COc1ccc(OCCN(C)Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)cc1	ZINC000846230294	950752980	/nfs/dbraw/zinc/75/29/80/950752980.db2.gz	DJKQKWWBXWHYEE-UHFFFAOYSA-N	-1	3	372.381	1.653	20	10		FDCDHM
CC(C)N(C)Cc1nnc2n1CCCN(C(=O)c1cccc(O)c1[O-])C2	ZINC001148214193	952648910	/nfs/dbraw/zinc/64/89/10/952648910.db2.gz	QKWHJGUZDJWLDO-UHFFFAOYSA-N	-1	3	359.430	1.576	20	10		FDCDHM
O=C(c1cc(O)c([O-])c(O)c1)N1CC[C@@H](F)[C@@](O)(C(F)(F)F)CC1	ZINC001148581880	952757186	/nfs/dbraw/zinc/75/71/86/952757186.db2.gz	FCRSSDCZNQVTHM-ZWNOBZJWSA-N	-1	3	353.268	1.671	20	10		FDCDHM
COc1ccc2c(c1)NC(=O)C[C@@H]2CNC(=O)c1cc(O)c([O-])c(O)c1	ZINC001148589747	952760389	/nfs/dbraw/zinc/76/03/89/952760389.db2.gz	JQKUNRYGHIDUDE-SNVBAGLBSA-N	-1	3	358.350	1.668	20	10		FDCDHM
CCOC(=O)C[C@@H](NC(=O)c1cc(O)c([O-])c(O)c1)c1cccc(O)c1	ZINC001148590765	952761207	/nfs/dbraw/zinc/76/12/07/952761207.db2.gz	OWEKXCFQZBOJJP-CYBMUJFWSA-N	-1	3	361.350	1.933	20	10		FDCDHM
CC(C)(C)OC(=O)N[C@@]1(C)C[C@@H](NC(=O)c2cc(O)c([O-])c(O)c2)C1	ZINC001148591320	952761321	/nfs/dbraw/zinc/76/13/21/952761321.db2.gz	XQSTVYAEDYZAGI-RKQQLJTISA-N	-1	3	352.387	1.979	20	10		FDCDHM
COc1cccc(O)c1CN[C@@H]1CCN([C@H](C(=O)[O-])c2ccccc2)C1=O	ZINC001594131882	958684669	/nfs/dbraw/zinc/68/46/69/958684669.db2.gz	SVCRPMOWDDAJQA-QAPCUYQASA-N	-1	3	370.405	1.917	20	10		FDCDHM
COc1c([O-])c(CNc2cccc(N3C(=O)CNC3=O)c2)ccc1[N+](=O)[O-]	ZINC000774928434	964112702	/nfs/dbraw/zinc/11/27/02/964112702.db2.gz	REFSQWPZAPNXPP-UHFFFAOYSA-N	-1	3	372.337	1.977	20	10		FDCDHM
O=C(NC1CC1)c1cccc(S(=O)(=O)NCc2c([O-])cccc2F)c1	ZINC001195138670	970715844	/nfs/dbraw/zinc/71/58/44/970715844.db2.gz	XCKZSXFWJRGPTI-UHFFFAOYSA-N	-1	3	364.398	1.902	20	10		FDCDHM
COc1ccc(N2CC[C@@H](C[N-]S(=O)(=O)c3c[nH]c(=O)s3)C2)cc1	ZINC000867428040	975235800	/nfs/dbraw/zinc/23/58/00/975235800.db2.gz	DYQQSFXKXNZZOO-NSHDSACASA-N	-1	3	369.468	1.662	20	10		FDCDHM
COc1ccc(N2CCC([N-]S(=O)(=O)N=S(C)(C)=O)CC2)cc1	ZINC000866708074	975938146	/nfs/dbraw/zinc/93/81/46/975938146.db2.gz	CSIJRMSIUWBLDF-UHFFFAOYSA-N	-1	3	361.489	1.226	20	10		FDCDHM
Cc1ccc(S(=O)(=O)[N-]Cc2ccc(N3CCC(O)CC3)cc2)nn1	ZINC000867531737	976320080	/nfs/dbraw/zinc/32/00/80/976320080.db2.gz	KHGSEJIXOLNCQG-UHFFFAOYSA-N	-1	3	362.455	1.225	20	10		FDCDHM
C[C@@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C(=O)OC(C)(C)C	ZINC000848308597	976593973	/nfs/dbraw/zinc/59/39/73/976593973.db2.gz	IDDPEUAYWHKFIT-JTQLQIEISA-N	-1	3	372.443	1.471	20	10		FDCDHM
COC(=O)Cc1nnc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)[n-]1	ZINC000118661950	984018381	/nfs/dbraw/zinc/01/83/81/984018381.db2.gz	QQZILQHIEOMURD-UHFFFAOYSA-N	-1	3	354.370	1.575	20	10		FDCDHM
COC(=O)Cc1nc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)n[n-]1	ZINC000118661950	984018388	/nfs/dbraw/zinc/01/83/88/984018388.db2.gz	QQZILQHIEOMURD-UHFFFAOYSA-N	-1	3	354.370	1.575	20	10		FDCDHM
C[C@@H](NCc1nnc2c(=O)[nH]ccn12)c1cccc(C(F)(F)F)c1[O-]	ZINC000886704589	986488819	/nfs/dbraw/zinc/48/88/19/986488819.db2.gz	JQMGPAPKXALJLH-MRVPVSSYSA-N	-1	3	353.304	1.993	20	10		FDCDHM
NC(=O)c1cc(OC2CCN(C(=O)c3cccc(O)c3[O-])CC2)ccn1	ZINC000365758467	988053613	/nfs/dbraw/zinc/05/36/13/988053613.db2.gz	NJZZQSIKVCJSFQ-UHFFFAOYSA-N	-1	3	357.366	1.275	20	10		FDCDHM
CN(Cc1ccc(N2CCOCC2)cc1)Cc1nc2c(c(=O)[n-]1)COCC2	ZINC000877923410	993556542	/nfs/dbraw/zinc/55/65/42/993556542.db2.gz	OKPQUNHRQUCXRS-UHFFFAOYSA-N	-1	3	370.453	1.724	20	10		FDCDHM
COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@H](O)C[C@@](C)(O)C1CC1	ZINC000878243100	993826183	/nfs/dbraw/zinc/82/61/83/993826183.db2.gz	ULEIHXLEBKXXDL-CRAIPNDOSA-N	-1	3	371.861	1.933	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC[C@@H](C(F)(F)F)C2)c1	ZINC000888013714	998018555	/nfs/dbraw/zinc/01/85/55/998018555.db2.gz	NYYXCYUFZLYNAU-MRVPVSSYSA-N	-1	3	352.334	1.788	20	10		FDCDHM
O=C(C=Cc1ccc(N2CCOCC2)cc1)N1CCc2nc[n-]c(=O)c2C1	ZINC000269663696	999471107	/nfs/dbraw/zinc/47/11/07/999471107.db2.gz	DSARRDYTKDPOTO-ZZXKWVIFSA-N	-1	3	366.421	1.617	20	10		FDCDHM
CN1C(=O)CO[C@H](C(=O)NCc2c([O-])cccc2F)[C@H]1c1cccnc1	ZINC000928710717	1001633099	/nfs/dbraw/zinc/63/30/99/1001633099.db2.gz	INWABXPEZNDTCL-SJORKVTESA-N	-1	3	359.357	1.141	20	10		FDCDHM
COc1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c(O)c1	ZINC000795358149	1006340372	/nfs/dbraw/zinc/34/03/72/1006340372.db2.gz	MHJZDJOBWKJPNJ-UHFFFAOYSA-N	-1	3	356.331	1.927	20	10		FDCDHM
COc1ccc(C[N-]S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])c(O)c1	ZINC000795357440	1006340613	/nfs/dbraw/zinc/34/06/13/1006340613.db2.gz	PCVIXPPCPNJCBR-UHFFFAOYSA-N	-1	3	368.367	1.796	20	10		FDCDHM
CCN(Cc1cc(Br)ccc1[O-])[C@@H](C)C(=O)NCC(=O)OC	ZINC000157081273	524205737	/nfs/dbraw/zinc/20/57/37/524205737.db2.gz	CXXOOBRESZUMBO-JTQLQIEISA-N	-1	3	373.247	1.654	20	10		FDCDHM
Cc1noc(C)c1S(=O)(=O)N1CCN(Cc2ccccc2[O-])CC1	ZINC000179558250	525601229	/nfs/dbraw/zinc/60/12/29/525601229.db2.gz	AGAAFSHZELMEEA-UHFFFAOYSA-N	-1	3	351.428	1.504	20	10		FDCDHM
CN(C)C(=O)CN1CCCN(Cc2cc(Br)ccc2[O-])CC1	ZINC000129339261	525644971	/nfs/dbraw/zinc/64/49/71/525644971.db2.gz	CPEIGGFPALSXQV-UHFFFAOYSA-N	-1	3	370.291	1.751	20	10		FDCDHM
COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)CCc1ccnn1C	ZINC000186135421	536226717	/nfs/dbraw/zinc/22/67/17/536226717.db2.gz	SFDIMXGCJCITSQ-UHFFFAOYSA-N	-1	3	365.817	1.914	20	10		FDCDHM
CC1(C)[C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])[C@@H]2CCO[C@@H]21	ZINC000266027145	537184696	/nfs/dbraw/zinc/18/46/96/537184696.db2.gz	VOAIOFWDAJRABY-GDLCADMTSA-N	-1	3	354.428	1.307	20	10		FDCDHM
O=C1C[C@@H](NCc2c([O-])ccc(Cl)c2F)CN1CCN1CCOCC1	ZINC000191135534	537198360	/nfs/dbraw/zinc/19/83/60/537198360.db2.gz	MNSZVVYNGUFLHL-GFCCVEGCSA-N	-1	3	371.840	1.207	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c1	ZINC000270074617	537281169	/nfs/dbraw/zinc/28/11/69/537281169.db2.gz	MCDUVRAWQSHQCL-NILFDRSVSA-N	-1	3	366.439	1.451	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H]2[C@H]2CCCO2)c1	ZINC000285863431	537347842	/nfs/dbraw/zinc/34/78/42/537347842.db2.gz	QEXXAUDWLLKQTO-UKRRQHHQSA-N	-1	3	354.428	1.547	20	10		FDCDHM
Cc1ccc(C(=O)NCc2cccc(C(=O)N3CCOCC3)c2)c([O-])c1O	ZINC000272859339	537350731	/nfs/dbraw/zinc/35/07/31/537350731.db2.gz	UPANWUNPZUOKEI-UHFFFAOYSA-N	-1	3	370.405	1.809	20	10		FDCDHM
CCN(C1CCN(C(=O)c2ccc(C)c(O)c2[O-])CC1)S(C)(=O)=O	ZINC000271265850	537416211	/nfs/dbraw/zinc/41/62/11/537416211.db2.gz	KQGMXGQIQFBKTB-UHFFFAOYSA-N	-1	3	356.444	1.292	20	10		FDCDHM
Cn1ccc(N2CC[C@H](NCc3cc(Cl)cc([N+](=O)[O-])c3[O-])C2=O)n1	ZINC000360093881	537578431	/nfs/dbraw/zinc/57/84/31/537578431.db2.gz	WFPGEQNMYMARQW-NSHDSACASA-N	-1	3	365.777	1.582	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCOCC3(CCCC3)C2)c1	ZINC000372954915	538068406	/nfs/dbraw/zinc/06/84/06/538068406.db2.gz	MVFNSLKVDFJOLT-UHFFFAOYSA-N	-1	3	368.455	1.797	20	10		FDCDHM
CC(C)[C@@H](O)C1(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1	ZINC000271934933	674397803	/nfs/dbraw/zinc/39/78/03/674397803.db2.gz	VXWKXXGRDRXMJV-CQSZACIVSA-N	-1	3	356.444	1.291	20	10		FDCDHM
COCCN(C(=O)C=Cc1cnn(C)c1)c1ccc(-c2nnn[n-]2)cc1	ZINC000736988386	599205577	/nfs/dbraw/zinc/20/55/77/599205577.db2.gz	LERBPBPIORPMML-BAQGIRSFSA-N	-1	3	353.386	1.293	20	10		FDCDHM
COCCN(C(=O)C=Cc1cnn(C)c1)c1ccc(-c2nn[n-]n2)cc1	ZINC000736988386	599205579	/nfs/dbraw/zinc/20/55/79/599205579.db2.gz	LERBPBPIORPMML-BAQGIRSFSA-N	-1	3	353.386	1.293	20	10		FDCDHM
CN(Cc1ccccc1O)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F	ZINC000825981487	607625878	/nfs/dbraw/zinc/62/58/78/607625878.db2.gz	SVWZVPCMKBBRDB-UHFFFAOYSA-N	-1	3	363.374	1.532	20	10		FDCDHM
CN(Cc1ccccc1O)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F	ZINC000825981487	607625879	/nfs/dbraw/zinc/62/58/79/607625879.db2.gz	SVWZVPCMKBBRDB-UHFFFAOYSA-N	-1	3	363.374	1.532	20	10		FDCDHM
OC1CCN(c2ccc(CNc3ccc(-c4nnn[n-]4)nc3)cc2F)CC1	ZINC000823704418	606053785	/nfs/dbraw/zinc/05/37/85/606053785.db2.gz	AJUSUNXCBZFYSY-UHFFFAOYSA-N	-1	3	369.404	1.974	20	10		FDCDHM
OC1CCN(c2ccc(CNc3ccc(-c4nn[n-]n4)nc3)cc2F)CC1	ZINC000823704418	606053790	/nfs/dbraw/zinc/05/37/90/606053790.db2.gz	AJUSUNXCBZFYSY-UHFFFAOYSA-N	-1	3	369.404	1.974	20	10		FDCDHM
COc1ccc(N2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)cc1	ZINC000826209985	609189225	/nfs/dbraw/zinc/18/92/25/609189225.db2.gz	ZIHKXQDTIXPPBO-UHFFFAOYSA-N	-1	3	353.386	1.166	20	10		FDCDHM
COc1ccc(N2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)cc1	ZINC000826209985	609189226	/nfs/dbraw/zinc/18/92/26/609189226.db2.gz	ZIHKXQDTIXPPBO-UHFFFAOYSA-N	-1	3	353.386	1.166	20	10		FDCDHM
COc1cc(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])ccc1O	ZINC000055226264	671230398	/nfs/dbraw/zinc/23/03/98/671230398.db2.gz	KCKPKTGHERCOMD-UHFFFAOYSA-N	-1	3	366.395	1.408	20	10		FDCDHM
Cc1ccc([C@@H](O)CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])o1	ZINC000265907692	673016330	/nfs/dbraw/zinc/01/63/30/673016330.db2.gz	BINRCFMBBKSBBK-ZDUSSCGKSA-N	-1	3	354.384	1.129	20	10		FDCDHM
CCS(=O)(=O)NC1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CC1	ZINC000289500918	676145787	/nfs/dbraw/zinc/14/57/87/676145787.db2.gz	SXCWAFXLYGNEAK-UHFFFAOYSA-N	-1	3	373.431	1.213	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC[C@H]3OCCC[C@@H]3C2)c1	ZINC000363511112	676958834	/nfs/dbraw/zinc/95/88/34/676958834.db2.gz	GSRLWGBDKALYEI-IAQYHMDHSA-N	-1	3	354.428	1.405	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@]3(CCCCO3)C2)c1	ZINC000369691215	677510671	/nfs/dbraw/zinc/51/06/71/677510671.db2.gz	CUPVNZRGXYDCFL-KRWDZBQOSA-N	-1	3	368.455	1.939	20	10		FDCDHM
CC(=O)NCC(=O)N1CCCN(Cc2cc(Cl)c(F)cc2[O-])CC1	ZINC000529664102	694791098	/nfs/dbraw/zinc/79/10/98/694791098.db2.gz	JGJUDCSLEHIZCB-UHFFFAOYSA-N	-1	3	357.813	1.355	20	10		FDCDHM
CCc1nc(CN2CCC[C@@H](N(C)C(=O)c3cccc(O)c3[O-])C2)no1	ZINC000375694386	782663298	/nfs/dbraw/zinc/66/32/98/782663298.db2.gz	WXWJUBKLBYNMQH-GFCCVEGCSA-N	-1	3	360.414	1.780	20	10		FDCDHM
CN1CCN(C(=O)Cc2ccc(NC(=O)c3cccc(O)c3[O-])cc2)CC1	ZINC000279058574	808225135	/nfs/dbraw/zinc/22/51/35/808225135.db2.gz	ALBZSUGECYUBCW-UHFFFAOYSA-N	-1	3	369.421	1.667	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC[C@H]2CC2(Cl)Cl)c1	ZINC000919811917	886215603	/nfs/dbraw/zinc/21/56/03/886215603.db2.gz	NZTAXEUYCFATQF-SSDOTTSWSA-N	-1	3	353.227	1.687	20	10		FDCDHM
CN1C(=O)C[C@H](CNC(=O)NCc2c([O-])cccc2F)[C@H]1c1ccncc1	ZINC000923266427	888659356	/nfs/dbraw/zinc/65/93/56/888659356.db2.gz	JBBGECMSTLINQF-FZKQIMNGSA-N	-1	3	372.400	1.945	20	10		FDCDHM
CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)NCc1c([O-])cccc1F	ZINC000921512863	907182826	/nfs/dbraw/zinc/18/28/26/907182826.db2.gz	YUHHSIGJOWBZOS-RISCZKNCSA-N	-1	3	373.450	1.391	20	10		FDCDHM
Cc1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c(N(C)C)n1	ZINC000770087923	929831096	/nfs/dbraw/zinc/83/10/96/929831096.db2.gz	TVSDLBJBLMIMSO-UHFFFAOYSA-N	-1	3	364.427	1.785	20	10		FDCDHM
CCc1ccc(NC(=O)c2ccc(C)c(O)c2[O-])cc1S(N)(=O)=O	ZINC000770480858	930070363	/nfs/dbraw/zinc/07/03/63/930070363.db2.gz	GKCFUPBFGIZQTC-UHFFFAOYSA-N	-1	3	350.396	1.868	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H](CO)C2CCCCC2)c1	ZINC000771229252	930528632	/nfs/dbraw/zinc/52/86/32/930528632.db2.gz	ICNAQNZXZAWIHZ-AWEZNQCLSA-N	-1	3	356.444	1.435	20	10		FDCDHM
CC(C)(C)OC(=O)N1CCN(CCNC(=O)c2cccc(O)c2[O-])CC1	ZINC000790550866	933596337	/nfs/dbraw/zinc/59/63/37/933596337.db2.gz	HINWGNSDIJWPJW-UHFFFAOYSA-N	-1	3	365.430	1.380	20	10		FDCDHM
CS(=O)(=O)CCOc1cccc(NC(=O)c2cccc(O)c2[O-])c1	ZINC000790613560	933642991	/nfs/dbraw/zinc/64/29/91/933642991.db2.gz	FTWQPXUICQICLQ-UHFFFAOYSA-N	-1	3	351.380	1.774	20	10		FDCDHM
CS(=O)(=O)c1ccc(OCCNC(=O)c2cccc(O)c2[O-])cc1	ZINC000790661144	933680414	/nfs/dbraw/zinc/68/04/14/933680414.db2.gz	BIHXVXLKAZDNPI-UHFFFAOYSA-N	-1	3	351.380	1.310	20	10		FDCDHM
COC(=O)C[C@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C1CC1	ZINC000855911116	970765505	/nfs/dbraw/zinc/76/55/05/970765505.db2.gz	UPVCPSQNLOLVAH-LLVKDONJSA-N	-1	3	370.427	1.083	20	10		FDCDHM
CCOC(=O)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(O)cc2F)cn1C	ZINC000808105911	940518857	/nfs/dbraw/zinc/51/88/57/940518857.db2.gz	SFFGTERBFYUNJA-UHFFFAOYSA-N	-1	3	370.358	1.416	20	10		FDCDHM
O=S1(=O)CC[C@@H](N2CCN(Cc3ccc4ccccc4c3[O-])CC2)C1	ZINC000816482469	942215578	/nfs/dbraw/zinc/21/55/78/942215578.db2.gz	HHVDSKXDTAZMON-QGZVFWFLSA-N	-1	3	360.479	1.850	20	10		FDCDHM
COc1c([O-])c(CN2CCC(OC(=O)N(C)C)CC2)ccc1[N+](=O)[O-]	ZINC000816654361	942288459	/nfs/dbraw/zinc/28/84/59/942288459.db2.gz	DWXVUGDMXRNOHO-UHFFFAOYSA-N	-1	3	353.375	1.972	20	10		FDCDHM
COCc1n[nH]c(CNC(=O)NCc2cccc(Br)c2[O-])n1	ZINC000821164936	944374960	/nfs/dbraw/zinc/37/49/60/944374960.db2.gz	CERATWWINYQXLW-UHFFFAOYSA-N	-1	3	370.207	1.419	20	10		FDCDHM
CNC(=O)[C@H](CNC(=O)c1cccc(O)c1[O-])Cc1ccc(F)cc1C	ZINC000843938499	947519635	/nfs/dbraw/zinc/51/96/35/947519635.db2.gz	PQCYABPFEPTQLV-ZDUSSCGKSA-N	-1	3	360.385	1.880	20	10		FDCDHM
CC(C)O[C@@H]1CCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1	ZINC000846368487	951027907	/nfs/dbraw/zinc/02/79/07/951027907.db2.gz	ZFXPPAXAWUGASI-CYBMUJFWSA-N	-1	3	356.444	1.793	20	10		FDCDHM
O=C(Nc1cccc(C(=O)N2CCOCC2)c1)c1cc(O)c([O-])c(O)c1	ZINC001148588330	952760680	/nfs/dbraw/zinc/76/06/80/952760680.db2.gz	SOXRMXCATOAJIM-UHFFFAOYSA-N	-1	3	358.350	1.528	20	10		FDCDHM
O=C(NCc1c([O-])cccc1F)[C@@H](O)[C@@](O)(c1ccccc1)C(F)(F)F	ZINC001178412608	964227780	/nfs/dbraw/zinc/22/77/80/964227780.db2.gz	BKGKSXXNFCKLNH-ZBFHGGJFSA-N	-1	3	373.302	1.959	20	10		FDCDHM
COc1ccc(N(CC(=O)[O-])CC(=O)NC[C@@H]2CCN2C(C)(C)C)cc1	ZINC000853011500	967771846	/nfs/dbraw/zinc/77/18/46/967771846.db2.gz	XKLQFTCVARUXHN-HNNXBMFYSA-N	-1	3	363.458	1.575	20	10		FDCDHM
CCN1CCN(c2ccc(CNC(=O)c3cncc([O-])c3)cc2F)CC1	ZINC000111615540	968341037	/nfs/dbraw/zinc/34/10/37/968341037.db2.gz	VHSLRCYNFQOYRT-UHFFFAOYSA-N	-1	3	358.417	1.998	20	10		FDCDHM
CC(C)(C)OC(=O)N1CC[C@@H](S(=O)(=O)[N-]c2ccc(O)cc2O)C1	ZINC001201645061	975109491	/nfs/dbraw/zinc/10/94/91/975109491.db2.gz	DXSMJBSNFIHEQA-LLVKDONJSA-N	-1	3	358.416	1.849	20	10		FDCDHM
COC(=O)CCCS(=O)(=O)Nc1ccc([O-])c(Br)c1	ZINC001201914592	975202677	/nfs/dbraw/zinc/20/26/77/975202677.db2.gz	SSGSMGKDLXWMKU-UHFFFAOYSA-N	-1	3	352.206	1.850	20	10		FDCDHM
CC[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@H]1CCCCO1	ZINC000848348725	976666415	/nfs/dbraw/zinc/66/64/15/976666415.db2.gz	DQDFQPAQGUCNHQ-DZGCQCFKSA-N	-1	3	356.444	1.841	20	10		FDCDHM
O=S(=O)([N-]Cc1ccc(N2CCC(O)CC2)cc1)c1cscn1	ZINC000851843980	979098483	/nfs/dbraw/zinc/09/84/83/979098483.db2.gz	NHSYJKHADOIYLN-UHFFFAOYSA-N	-1	3	353.469	1.583	20	10		FDCDHM
COC(=O)C[C@@H]1C(=O)NCCN1Cc1c([O-])cccc1Br	ZINC000862213237	984252905	/nfs/dbraw/zinc/25/29/05/984252905.db2.gz	PTMNAWCMHSFSBK-LLVKDONJSA-N	-1	3	357.204	1.018	20	10		FDCDHM
CNS(=O)(=O)C[C@@H]1CCCN(Cc2cc(Cl)c(F)cc2[O-])C1	ZINC000862549875	984409151	/nfs/dbraw/zinc/40/91/51/984409151.db2.gz	AHQZGJOKGPGRAA-SNVBAGLBSA-N	-1	3	350.843	1.946	20	10		FDCDHM
COc1ccc(NC(=O)c2ccc(C)c(O)c2[O-])cc1-n1nnnc1C	ZINC000367449837	988950710	/nfs/dbraw/zinc/95/07/10/988950710.db2.gz	YJLHVZHRTUXXMC-UHFFFAOYSA-N	-1	3	355.354	1.951	20	10		FDCDHM
O=C(NCc1ccc(O)c(O)c1)[C@H]1CCCN1C(=O)c1ccccc1[O-]	ZINC000364706457	989726896	/nfs/dbraw/zinc/72/68/96/989726896.db2.gz	YBPDGTPBALOXRB-CQSZACIVSA-N	-1	3	356.378	1.724	20	10		FDCDHM
O=C(NCc1c([O-])cccc1F)C(=O)N1CCN(c2ccccc2)CC1	ZINC000928706019	1001632350	/nfs/dbraw/zinc/63/23/50/1001632350.db2.gz	NRBSOERLHUMXBJ-UHFFFAOYSA-N	-1	3	357.385	1.496	20	10		FDCDHM
COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@@H]1C[C@@H]2COC[C@@H]2O1	ZINC000929975364	1002685073	/nfs/dbraw/zinc/68/50/73/1002685073.db2.gz	GFRXFUHVMBVIII-INWMFGNUSA-N	-1	3	355.818	1.825	20	10		FDCDHM
CC[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@@H](O)C(F)(F)F	ZINC000271355652	674336183	/nfs/dbraw/zinc/33/61/83/674336183.db2.gz	DHGYJVHMWGNRSQ-GXSJLCMTSA-N	-1	3	370.349	1.195	20	10		FDCDHM
CCCN(Cc1ccccc1[O-])[C@@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1	ZINC000076073949	523018498	/nfs/dbraw/zinc/01/84/98/523018498.db2.gz	MJKNRKIVGDYUKP-GOEBONIOSA-N	-1	3	368.499	1.638	20	10		FDCDHM
COc1c([O-])c(CN2CCC[C@@H](CNS(C)(=O)=O)C2)ccc1[N+](=O)[O-]	ZINC000278171085	537271057	/nfs/dbraw/zinc/27/10/57/537271057.db2.gz	FSIRULFOYSKRJJ-NSHDSACASA-N	-1	3	373.431	1.070	20	10		FDCDHM
COc1c([O-])c(CN2CCN(CC(C)(C)O)C[C@@H]2C)ccc1[N+](=O)[O-]	ZINC000278412124	537318879	/nfs/dbraw/zinc/31/88/79/537318879.db2.gz	QDACIJCXCVPGDY-LBPRGKRZSA-N	-1	3	353.419	1.586	20	10		FDCDHM
O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1)c1cccc(O)c1[O-]	ZINC000280584244	537433382	/nfs/dbraw/zinc/43/33/82/537433382.db2.gz	WXRNVUAJQHHZHS-INIZCTEOSA-N	-1	3	370.405	1.298	20	10		FDCDHM
C[C@]1(C[C@H]2CCCN2C(=O)C=Cc2ccc(O)c(O)c2)NC(=O)[N-]C1=O	ZINC000287910243	537447876	/nfs/dbraw/zinc/44/78/76/537447876.db2.gz	POVCBDCQZPMBSE-IYHVRKCQSA-N	-1	3	359.382	1.090	20	10		FDCDHM
Cc1cc(Br)cc(CNCc2nnc3n2CCOC3)c1[O-]	ZINC000365235807	537459289	/nfs/dbraw/zinc/45/92/89/537459289.db2.gz	YYMOADQFPVRZAO-UHFFFAOYSA-N	-1	3	353.220	1.875	20	10		FDCDHM
CN(C[C@@H]1CCCC[C@H]1O)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000272148101	537535721	/nfs/dbraw/zinc/53/57/21/537535721.db2.gz	ACEYQHUDBFECJC-SMDDNHRTSA-N	-1	3	356.444	1.387	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC[C@H](O)C23CCCC3)c1	ZINC000294194148	537672641	/nfs/dbraw/zinc/67/26/41/537672641.db2.gz	OIRAMJJVDOEUGS-AWEZNQCLSA-N	-1	3	354.428	1.283	20	10		FDCDHM
CC(=O)c1cc(F)cc(CN2CCC(CNS(C)(=O)=O)CC2)c1[O-]	ZINC000285540879	537728791	/nfs/dbraw/zinc/72/87/91/537728791.db2.gz	TUOUMHFJXNZSGD-UHFFFAOYSA-N	-1	3	358.435	1.495	20	10		FDCDHM
CC(=O)c1cc(F)cc(CN2CCC[C@@H](S(=O)(=O)N(C)C)C2)c1[O-]	ZINC000285615780	537737772	/nfs/dbraw/zinc/73/77/72/537737772.db2.gz	NACVAGDBGPJKBM-CQSZACIVSA-N	-1	3	358.435	1.590	20	10		FDCDHM
Cc1ccc(C(=O)N[C@H]2CCN(C(=O)Cc3ccccc3)C2)c([O-])c1O	ZINC000375939602	537808320	/nfs/dbraw/zinc/80/83/20/537808320.db2.gz	BZEVLCBIPIXPKW-HNNXBMFYSA-N	-1	3	354.406	1.980	20	10		FDCDHM
Cc1ccc(C(=O)N2CC(S(=O)(=O)c3ccccc3F)C2)c([O-])c1O	ZINC000376011729	537823220	/nfs/dbraw/zinc/82/32/20/537823220.db2.gz	CAZNCKUKQMKRME-UHFFFAOYSA-N	-1	3	365.382	1.844	20	10		FDCDHM
COCCN(C(=O)C=Cc1cccnc1)c1ccc(-c2nnn[n-]2)cc1	ZINC000736987929	599203894	/nfs/dbraw/zinc/20/38/94/599203894.db2.gz	HIEHYWRWUXERGF-RUDMXATFSA-N	-1	3	350.382	1.955	20	10		FDCDHM
COCCN(C(=O)C=Cc1cccnc1)c1ccc(-c2nn[n-]n2)cc1	ZINC000736987929	599203895	/nfs/dbraw/zinc/20/38/95/599203895.db2.gz	HIEHYWRWUXERGF-RUDMXATFSA-N	-1	3	350.382	1.955	20	10		FDCDHM
CN(Cc1ncc(Cl)n1C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000272347460	674434078	/nfs/dbraw/zinc/43/40/78/674434078.db2.gz	CPURKNFPXFCPFZ-UHFFFAOYSA-N	-1	3	372.834	1.423	20	10		FDCDHM
CCOC(=O)CNC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C	ZINC000736599714	598609949	/nfs/dbraw/zinc/60/99/49/598609949.db2.gz	QOJCGXDIOWKGGZ-UHFFFAOYSA-N	-1	3	368.397	1.567	20	10		FDCDHM
CC(=O)NCCNC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C	ZINC000735475708	598616482	/nfs/dbraw/zinc/61/64/82/598616482.db2.gz	ZUJVRGBICYRDOP-UHFFFAOYSA-N	-1	3	367.413	1.140	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC(CCCO)CC2)c1	ZINC000272862635	674482455	/nfs/dbraw/zinc/48/24/55/674482455.db2.gz	SQFINDMSHZKRCV-UHFFFAOYSA-N	-1	3	356.444	1.388	20	10		FDCDHM
CC(C)[C@H](C(=O)NC[C@@H](NC(=O)[O-])c1ccc(N(C)C)cc1)N(C)C	ZINC000824055353	604507479	/nfs/dbraw/zinc/50/74/79/604507479.db2.gz	GJQPHNCBFXCUAZ-HZPDHXFCSA-N	-1	3	350.463	1.764	20	10		FDCDHM
O=C([O-])NCCCOC1CC[NH+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC1	ZINC000834237824	605501743	/nfs/dbraw/zinc/50/17/43/605501743.db2.gz	DMAFBRJXGKXWFK-MRXNPFEDSA-N	-1	3	366.414	1.457	20	10		FDCDHM
C[C@@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1nccs1	ZINC000273477773	674541136	/nfs/dbraw/zinc/54/11/36/674541136.db2.gz	LDCCRZUWFYYTBT-VIFPVBQESA-N	-1	3	355.441	1.754	20	10		FDCDHM
O=C(NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1)C1=CC(=O)CS1	ZINC000826443918	608192636	/nfs/dbraw/zinc/19/26/36/608192636.db2.gz	JGUXFYHUBKBZCN-UHFFFAOYSA-N	-1	3	367.394	1.954	20	10		FDCDHM
COc1ccc(N2CCCN(c3cnccc3-c3nnn[n-]3)CC2)cc1	ZINC000826208890	608777243	/nfs/dbraw/zinc/77/72/43/608777243.db2.gz	DTRBGNUAMUEJHI-UHFFFAOYSA-N	-1	3	351.414	1.987	20	10		FDCDHM
COc1ccc(N2CCCN(c3cnccc3-c3nn[n-]n3)CC2)cc1	ZINC000826208890	608777247	/nfs/dbraw/zinc/77/72/47/608777247.db2.gz	DTRBGNUAMUEJHI-UHFFFAOYSA-N	-1	3	351.414	1.987	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCC[C@H]2CCCCO2)c1	ZINC000273636604	674557491	/nfs/dbraw/zinc/55/74/91/674557491.db2.gz	BYWFWKUIGNCLCK-CYBMUJFWSA-N	-1	3	356.444	1.843	20	10		FDCDHM
CCC(=O)[C@@H]1CCCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000274737262	674595729	/nfs/dbraw/zinc/59/57/29/674595729.db2.gz	CINFZCQBNQPPAU-ZDUSSCGKSA-N	-1	3	354.428	1.738	20	10		FDCDHM
O=C(c1cccc(O)c1[O-])N1CSC[C@H]1C(=O)N1CCSCC1	ZINC000275051029	674603604	/nfs/dbraw/zinc/60/36/04/674603604.db2.gz	WYTRUEAQNUENQH-NSHDSACASA-N	-1	3	354.453	1.188	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCc2cccc(F)c2)c1	ZINC000055135560	671227974	/nfs/dbraw/zinc/22/79/74/671227974.db2.gz	KIROAGYKNLRLLK-UHFFFAOYSA-N	-1	3	352.387	1.875	20	10		FDCDHM
COCCOC[C@H](O)CN(CC(=O)OC)Cc1cc(Cl)ccc1[O-]	ZINC000294889868	676398148	/nfs/dbraw/zinc/39/81/48/676398148.db2.gz	GVISQUWUIBCINI-CQSZACIVSA-N	-1	3	361.822	1.045	20	10		FDCDHM
C[N-]S(=O)(=O)c1cc(C(=O)NCc2ccc3c(c2)CCN3C)c(C)o1	ZINC000372235069	677874757	/nfs/dbraw/zinc/87/47/57/677874757.db2.gz	CPYDPWVIVAGJNE-UHFFFAOYSA-N	-1	3	363.439	1.418	20	10		FDCDHM
Cc1cc([O-])c(CN2CCS(=O)(=NS(C)(=O)=O)CC2)cc1Cl	ZINC000894827029	818595701	/nfs/dbraw/zinc/59/57/01/818595701.db2.gz	FTPKNHLYLXRBDT-UHFFFAOYSA-N	-1	3	366.892	1.597	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC[C@H](O)Cc2ccccc2)c1	ZINC000729538483	822531634	/nfs/dbraw/zinc/53/16/34/822531634.db2.gz	WMEMUJSIUGEZFD-CQSZACIVSA-N	-1	3	364.423	1.097	20	10		FDCDHM
Cn1nc(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c2ccccc21	ZINC000760142926	830417269	/nfs/dbraw/zinc/41/72/69/830417269.db2.gz	UAFLRUKWDVRZJF-UHFFFAOYSA-N	-1	3	374.422	1.580	20	10		FDCDHM
CS(=O)(=O)N1CCC(CNC(=O)NCc2c([O-])cccc2F)CC1	ZINC000915588393	877086826	/nfs/dbraw/zinc/08/68/26/877086826.db2.gz	REKFADTUZSPHHX-UHFFFAOYSA-N	-1	3	359.423	1.002	20	10		FDCDHM
CN1CCN(c2ccccc2-c2noc(-c3cc([O-])[nH]c(=O)c3)n2)CC1	ZINC001212566205	885073226	/nfs/dbraw/zinc/07/32/26/885073226.db2.gz	JAIMIVHDHLGVHS-UHFFFAOYSA-N	-1	3	353.382	1.962	20	10		FDCDHM
Cn1ccc(N2CCC[C@@H](NC(=O)NCc3c([O-])cccc3F)C2=O)n1	ZINC000920632941	887116967	/nfs/dbraw/zinc/11/69/67/887116967.db2.gz	YNYNLUVMIUHWSZ-CYBMUJFWSA-N	-1	3	361.377	1.260	20	10		FDCDHM
C[C@@H]1C[C@@H](NC(=O)NCc2c([O-])cccc2F)C(=O)N1c1cnn(C)c1	ZINC000920903081	887315758	/nfs/dbraw/zinc/31/57/58/887315758.db2.gz	XAQXLPLOUCMYPE-QMTHXVAHSA-N	-1	3	361.377	1.258	20	10		FDCDHM
CC(C)(C)OC(=O)N1CC(S(=O)(=O)NCc2c([O-])cccc2F)C1	ZINC000921451764	888015821	/nfs/dbraw/zinc/01/58/21/888015821.db2.gz	VOPWBMSRUZXPCD-UHFFFAOYSA-N	-1	3	360.407	1.570	20	10		FDCDHM
O=C(NCCS(=O)(=O)CC(F)(F)F)NCc1c([O-])cccc1F	ZINC000923251698	888596134	/nfs/dbraw/zinc/59/61/34/888596134.db2.gz	RLUNJQSRWASZOC-UHFFFAOYSA-N	-1	3	358.313	1.308	20	10		FDCDHM
[O-]c1c(I)cccc1CN1CCc2nncn2CC1	ZINC001237777175	897388699	/nfs/dbraw/zinc/38/86/99/897388699.db2.gz	NJHSCQTVLAHFNY-UHFFFAOYSA-N	-1	3	370.194	1.647	20	10		FDCDHM
CC[C@@H](NC(=O)c1cccc(O)c1[O-])c1cccc(S(N)(=O)=O)c1	ZINC000790920979	933779917	/nfs/dbraw/zinc/77/99/17/933779917.db2.gz	IEEURRWXPSMPGT-CYBMUJFWSA-N	-1	3	350.396	1.626	20	10		FDCDHM
C[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@H](O)c1ccccc1	ZINC000811538797	941140113	/nfs/dbraw/zinc/14/01/13/941140113.db2.gz	OFTOFANQHSEXFP-ZBEGNZNMSA-N	-1	3	364.423	1.616	20	10		FDCDHM
Cc1nnc(CN(C)C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])s1	ZINC000856366517	971097118	/nfs/dbraw/zinc/09/71/18/971097118.db2.gz	YLAOAVRDOFPNOB-UHFFFAOYSA-N	-1	3	356.429	1.196	20	10		FDCDHM
O=C(CN1C(=O)CSC1=S)Nc1ncc([O-])cc1Br	ZINC001144841429	951185754	/nfs/dbraw/zinc/18/57/54/951185754.db2.gz	GTDJYUXUMZBWMP-UHFFFAOYSA-N	-1	3	362.230	1.349	20	10		FDCDHM
COC[C@@H]1CCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1	ZINC000857531062	971792947	/nfs/dbraw/zinc/79/29/47/971792947.db2.gz	DIKGPRHSPGMGDV-GFCCVEGCSA-N	-1	3	356.444	1.652	20	10		FDCDHM
O=C(c1cccc(O)c1[O-])N1CC(N2CCN(c3ccccn3)CC2)C1	ZINC001148218494	952651875	/nfs/dbraw/zinc/65/18/75/952651875.db2.gz	FLDCAWIJWONTPD-UHFFFAOYSA-N	-1	3	354.410	1.139	20	10		FDCDHM
O=C(c1cc(O)c([O-])c(O)c1)N1CCN(c2noc3ccccc32)CC1	ZINC001148581146	952757163	/nfs/dbraw/zinc/75/71/63/952757163.db2.gz	MDWLDEDCGGDPPA-UHFFFAOYSA-N	-1	3	355.350	1.907	20	10		FDCDHM
O=C(Nc1cc(Cl)nc(N2CCOCC2)c1)c1cc(O)c([O-])c(O)c1	ZINC001148583042	952757599	/nfs/dbraw/zinc/75/75/99/952757599.db2.gz	QHIDJHZVOBJEAW-UHFFFAOYSA-N	-1	3	365.773	1.941	20	10		FDCDHM
C[C@H](CN(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C(=O)[O-]	ZINC001589023348	955491615	/nfs/dbraw/zinc/49/16/15/955491615.db2.gz	HLGRPULHXNYFRH-CJNGLKHVSA-N	-1	3	350.463	1.717	20	10		FDCDHM
CN(C)c1ccc([C@H](CNC(=O)N2CCC[C@@H](C(=O)[O-])C2)N(C)C)cc1	ZINC001343130383	958029219	/nfs/dbraw/zinc/02/92/19/958029219.db2.gz	BZQUOVKSOKEIQR-WBVHZDCISA-N	-1	3	362.474	1.862	20	10		FDCDHM
CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(O)c2[O-])[C@@H](CO)C1	ZINC001181431526	960819760	/nfs/dbraw/zinc/81/97/60/960819760.db2.gz	SDJOTUAEPJGJSE-LLVKDONJSA-N	-1	3	352.387	1.152	20	10		FDCDHM
CC(=O)N[C@H](C(=O)NCc1cc(Cl)c2cccnc2c1[O-])[C@@H](C)O	ZINC001183702576	963240257	/nfs/dbraw/zinc/24/02/57/963240257.db2.gz	MUHZPALOPNKNHX-OQPBUACISA-N	-1	3	351.790	1.096	20	10		FDCDHM
COC(=O)C(C)(C)N1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CC1	ZINC000775086391	965038259	/nfs/dbraw/zinc/03/82/59/965038259.db2.gz	STJYDNINLMUYIE-UHFFFAOYSA-N	-1	3	367.402	1.378	20	10		FDCDHM
CC(C)(C)OC(=O)NCC1(NC(=O)c2cccc(O)c2[O-])CCOCC1	ZINC000863019694	972604195	/nfs/dbraw/zinc/60/41/95/972604195.db2.gz	NASBEGLJGUWHNE-UHFFFAOYSA-N	-1	3	366.414	1.902	20	10		FDCDHM
CN(C)c1cc(F)c(CNCc2nc3c(c(=O)[n-]2)COCC3)cc1F	ZINC000865866047	974538149	/nfs/dbraw/zinc/53/81/49/974538149.db2.gz	FTRCKQBDCDCWDA-UHFFFAOYSA-N	-1	3	350.369	1.889	20	10		FDCDHM
C[C@H]([N-]S(=O)(=O)c1c[nH]c(=O)s1)c1ccc(N2CCOCC2)cc1	ZINC000866605523	975828681	/nfs/dbraw/zinc/82/86/81/975828681.db2.gz	OSBXATCQIZDRPX-NSHDSACASA-N	-1	3	369.468	1.725	20	10		FDCDHM
CCNS(=O)(=O)[C@H]1CCN(Cc2c([O-])cccc2Br)C1	ZINC000862303290	984321592	/nfs/dbraw/zinc/32/15/92/984321592.db2.gz	OLGUYBUECKUUER-JTQLQIEISA-N	-1	3	363.277	1.668	20	10		FDCDHM
C[C@]1([N-]C(=O)C(F)(F)F)CCN(Cc2cc3c(cc2O)OC[C@H]3O)C1	ZINC000872754003	988037112	/nfs/dbraw/zinc/03/71/12/988037112.db2.gz	TXHDCMVGEYKFFD-DOMZBBRYSA-N	-1	3	360.332	1.461	20	10		FDCDHM
CC(=O)c1cc(F)cc(CN2CCC(N3CCN(C)CC3=O)CC2)c1[O-]	ZINC000371641251	990592381	/nfs/dbraw/zinc/59/23/81/990592381.db2.gz	DUKSLNLVWMGFQF-UHFFFAOYSA-N	-1	3	363.433	1.472	20	10		FDCDHM
C[C@H]([NH2+][C@H]1CCN(CCN2CCOCC2)C1)c1cc(C(=O)[O-])ccc1[O-]	ZINC001593218167	994281378	/nfs/dbraw/zinc/28/13/78/994281378.db2.gz	GKWWTWNDEAEOOD-HOCLYGCPSA-N	-1	3	363.458	1.148	20	10		FDCDHM
C[C@H]([NH2+]C[C@H]1CCC[C@]12NC(=O)N(C)C2=O)c1cc(C(=O)[O-])ccc1[O-]	ZINC001593252389	994506784	/nfs/dbraw/zinc/50/67/84/994506784.db2.gz	RSLZFENYXFFILS-NMOXLHADSA-N	-1	3	361.398	1.462	20	10		FDCDHM
C[C@@H]([NH2+]CCc1ccc(S(N)(=O)=O)cc1)c1cc(C(=O)[O-])ccc1[O-]	ZINC001593274195	994622667	/nfs/dbraw/zinc/62/26/67/994622667.db2.gz	JORBUXTYXWCNBE-LLVKDONJSA-N	-1	3	364.423	1.631	20	10		FDCDHM
COCCOCCN1CCN(Cc2ccc(Br)cc2[O-])CC1	ZINC000826142801	995630953	/nfs/dbraw/zinc/63/09/53/995630953.db2.gz	LIQGSDDGJGIKKI-UHFFFAOYSA-N	-1	3	373.291	1.935	20	10		FDCDHM
Cn1ccnc1[C@](O)(CC(=O)NCc1c([O-])cccc1F)C(F)(F)F	ZINC000928711106	1001633057	/nfs/dbraw/zinc/63/30/57/1001633057.db2.gz	DQOLIXRJIJJIHD-CQSZACIVSA-N	-1	3	361.295	1.721	20	10		FDCDHM
CC1CCN(c2ccc(CNC(=O)C3CC4(C3)NC(=O)[N-]C4=O)cc2)CC1	ZINC000158001777	524383167	/nfs/dbraw/zinc/38/31/67/524383167.db2.gz	HHJIDFDVHFKHJA-UHFFFAOYSA-N	-1	3	370.453	1.527	20	10		FDCDHM
Cc1ccc(C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)c([O-])c1O	ZINC000182619334	535833838	/nfs/dbraw/zinc/83/38/38/535833838.db2.gz	SJPOZTSNSFYHEI-MRXNPFEDSA-N	-1	3	356.422	1.555	20	10		FDCDHM
NC(=O)CN1CCN(Cc2ccc(OCc3ccccc3)cc2[O-])CC1	ZINC000182969551	535897741	/nfs/dbraw/zinc/89/77/41/535897741.db2.gz	MYYBTQOHIKISNL-UHFFFAOYSA-N	-1	3	355.438	1.574	20	10		FDCDHM
COc1cc(Cl)cc(CN2CCN(C(=O)[C@@H]3CCCO3)CC2)c1[O-]	ZINC000184673517	536175492	/nfs/dbraw/zinc/17/54/92/536175492.db2.gz	VVILCHNFKBYTPM-AWEZNQCLSA-N	-1	3	354.834	1.877	20	10		FDCDHM
O=C(N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO)c1cccc(O)c1[O-]	ZINC000185871847	536219818	/nfs/dbraw/zinc/21/98/18/536219818.db2.gz	LRYOVLKRKFYHPS-DOTOQJQBSA-N	-1	3	356.422	1.711	20	10		FDCDHM
COc1c([O-])c(CN2CCC[C@H](CNS(C)(=O)=O)C2)ccc1[N+](=O)[O-]	ZINC000278171084	537271346	/nfs/dbraw/zinc/27/13/46/537271346.db2.gz	FSIRULFOYSKRJJ-LLVKDONJSA-N	-1	3	373.431	1.070	20	10		FDCDHM
COCCO[C@@H]1C[C@H](CO)CN(Cc2cc(F)cc(C(C)=O)c2[O-])C1	ZINC000278257719	537288423	/nfs/dbraw/zinc/28/84/23/537288423.db2.gz	HZLQJLRYLWWOAR-XJKSGUPXSA-N	-1	3	355.406	1.580	20	10		FDCDHM
COC(=O)[C@H](CNC(=O)c1ccc(C)c(O)c1[O-])Cc1ccc(O)cc1	ZINC000272857723	537348657	/nfs/dbraw/zinc/34/86/57/537348657.db2.gz	UJGHYQQLCSKGGN-ZDUSSCGKSA-N	-1	3	359.378	1.874	20	10		FDCDHM
CC(=O)N1CCN(c2ccc(CNC(=O)c3cc(C)nc(=O)[n-]3)cc2)CC1	ZINC000276234218	537352041	/nfs/dbraw/zinc/35/20/41/537352041.db2.gz	LBLYQLQLKODIJD-UHFFFAOYSA-N	-1	3	369.425	1.089	20	10		FDCDHM
CCOC(=O)c1cnn2c1[nH]c(CN1CCC[C@@H](CC(=O)[O-])C1)cc2=O	ZINC000818229175	597086566	/nfs/dbraw/zinc/08/65/66/597086566.db2.gz	BLSOBCKGLDASDL-NSHDSACASA-N	-1	3	362.386	1.298	20	10		FDCDHM
CC[C@H](OC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C)C(N)=O	ZINC000736381114	598622546	/nfs/dbraw/zinc/62/25/46/598622546.db2.gz	HRKUREWKUOYHCC-HNNXBMFYSA-N	-1	3	368.397	1.695	20	10		FDCDHM
Cc1cc(C(=O)N[C@H](C)CC(N)=O)c(C)n1-c1ccc(-c2nn[n-]n2)cc1	ZINC000822167405	599404512	/nfs/dbraw/zinc/40/45/12/599404512.db2.gz	DTPWOPKOMTVYPS-SNVBAGLBSA-N	-1	3	367.413	1.268	20	10		FDCDHM
O=S(=O)(NCc1ccccc1O)c1ccc(Cl)c(-c2nnn[n-]2)c1	ZINC000799774045	607624243	/nfs/dbraw/zinc/62/42/43/607624243.db2.gz	KBLFDRRQDLLDJS-UHFFFAOYSA-N	-1	3	365.802	1.704	20	10		FDCDHM
O=S(=O)(NCc1ccccc1O)c1ccc(Cl)c(-c2nn[n-]n2)c1	ZINC000799774045	607624244	/nfs/dbraw/zinc/62/42/44/607624244.db2.gz	KBLFDRRQDLLDJS-UHFFFAOYSA-N	-1	3	365.802	1.704	20	10		FDCDHM
C[C@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1nccs1	ZINC000273477772	674541166	/nfs/dbraw/zinc/54/11/66/674541166.db2.gz	LDCCRZUWFYYTBT-SECBINFHSA-N	-1	3	355.441	1.754	20	10		FDCDHM
O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1c[nH]c(-c2nnn[n-]2)c1	ZINC000826442132	609200366	/nfs/dbraw/zinc/20/03/66/609200366.db2.gz	KERJLLAXUGFMHA-UHFFFAOYSA-N	-1	3	371.376	1.101	20	10		FDCDHM
O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1c[nH]c(-c2nn[n-]n2)c1	ZINC000826442132	609200367	/nfs/dbraw/zinc/20/03/67/609200367.db2.gz	KERJLLAXUGFMHA-UHFFFAOYSA-N	-1	3	371.376	1.101	20	10		FDCDHM
CCOC(=O)[C@](C)(O)CN(CC(=O)OC)Cc1cc(Cl)ccc1[O-]	ZINC000274663712	674594800	/nfs/dbraw/zinc/59/48/00/674594800.db2.gz	QLCPYKKOTIMCJM-MRXNPFEDSA-N	-1	3	359.806	1.335	20	10		FDCDHM
COC(=O)[C@@H]1C[C@@H](C)CCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000274764148	674595970	/nfs/dbraw/zinc/59/59/70/674595970.db2.gz	HJHVFAPABCAMOA-GWCFXTLKSA-N	-1	3	370.427	1.177	20	10		FDCDHM
O=C(c1cccc(O)c1[O-])N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1	ZINC000275094478	674605781	/nfs/dbraw/zinc/60/57/81/674605781.db2.gz	HQHNXLRPURWWGH-CYBMUJFWSA-N	-1	3	368.455	1.564	20	10		FDCDHM
COc1c([O-])c(CN2CCCN(C(=O)C(C)C)CC2)ccc1[N+](=O)[O-]	ZINC000278231560	675108721	/nfs/dbraw/zinc/10/87/21/675108721.db2.gz	MSRIESKDNJLUJE-UHFFFAOYSA-N	-1	3	351.403	1.999	20	10		FDCDHM
COC(=O)C[C@H]1CSCCN1Cc1ccc([N+](=O)[O-])c(OC)c1[O-]	ZINC000278234205	675108958	/nfs/dbraw/zinc/10/89/58/675108958.db2.gz	NCRCPODWBPZYNK-NSHDSACASA-N	-1	3	356.400	1.790	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H]2c2cc[nH]n2)c1	ZINC000286986056	675910750	/nfs/dbraw/zinc/91/07/50/675910750.db2.gz	HRSOQJIBFLDLOX-CYBMUJFWSA-N	-1	3	350.400	1.464	20	10		FDCDHM
CC(=O)c1cc(F)cc(CN2CC[S@@](=O)C[C@H]2c2cnn(C)c2)c1[O-]	ZINC000279389106	675287608	/nfs/dbraw/zinc/28/76/08/675287608.db2.gz	YOGBEKBSEXVSCX-IVCQMTBJSA-N	-1	3	365.430	1.773	20	10		FDCDHM
CCCN(Cc1ccc([N+](=O)[O-])c(OC)c1[O-])[C@H]1CC(=O)N(C)C1=O	ZINC000283034723	675647571	/nfs/dbraw/zinc/64/75/71/675647571.db2.gz	NKEQXKNSZLOYOW-LBPRGKRZSA-N	-1	3	351.359	1.278	20	10		FDCDHM
CNS(=O)(=O)NC1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1	ZINC000294532282	676387744	/nfs/dbraw/zinc/38/77/44/676387744.db2.gz	DGFQHJQXIYCIJA-UHFFFAOYSA-N	-1	3	351.831	1.203	20	10		FDCDHM
C[C@]1(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCO[C@@H]1C1CC1	ZINC000368491651	677500063	/nfs/dbraw/zinc/50/00/63/677500063.db2.gz	JAYYGUQPGZVLAB-NVXWUHKLSA-N	-1	3	368.455	1.699	20	10		FDCDHM
CNS(=O)(=O)[C@H]1CCCN(Cc2cc(Br)ccc2[O-])C1	ZINC000372403205	677911441	/nfs/dbraw/zinc/91/14/41/677911441.db2.gz	ALLXVABYGPHVKA-LBPRGKRZSA-N	-1	3	363.277	1.668	20	10		FDCDHM
CC1(C)[C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])[C@@H]2CCCO[C@H]21	ZINC000374132736	678072782	/nfs/dbraw/zinc/07/27/82/678072782.db2.gz	VYFUYQPLRJWAJP-NILFDRSVSA-N	-1	3	368.455	1.697	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H](n3ccnc3)C2)c1	ZINC000728609678	785076597	/nfs/dbraw/zinc/07/65/97/785076597.db2.gz	OMSKAJVQHLBJON-CYBMUJFWSA-N	-1	3	364.427	1.438	20	10		FDCDHM
O=C(N[C@@H]1CCOC1)OC[C@@H]1CCCCN1C(=O)c1cccc(O)c1[O-]	ZINC000376472385	787964763	/nfs/dbraw/zinc/96/47/63/787964763.db2.gz	HBHQWLFWRYQXAY-OLZOCXBDSA-N	-1	3	364.398	1.608	20	10		FDCDHM
COC(=O)[C@@H]1CN(C(=O)c2cccc(O)c2[O-])C[C@H]1c1ccc(O)cc1	ZINC000295448044	793470563	/nfs/dbraw/zinc/47/05/63/793470563.db2.gz	WHSSKKIVASGWDM-LSDHHAIUSA-N	-1	3	357.362	1.832	20	10		FDCDHM
C[C@@H]1CN(Cc2cc(F)cc(F)c2[O-])CCN1c1nccn2cnnc12	ZINC000894086722	809895861	/nfs/dbraw/zinc/89/58/61/809895861.db2.gz	ZTDLOCCKVXYJKL-LLVKDONJSA-N	-1	3	360.368	1.819	20	10		FDCDHM
CC(=O)N1CCN(c2ccccc2CNC(=O)c2cccc(O)c2[O-])CC1	ZINC000280434856	811824713	/nfs/dbraw/zinc/82/47/13/811824713.db2.gz	JMZJMHMMQGSIBT-UHFFFAOYSA-N	-1	3	369.421	1.696	20	10		FDCDHM
CCN1CC[C@H]2OCCN(c3ccc(/C=C\C(=O)[O-])cc3[N+](=O)[O-])[C@H]2C1	ZINC000910384251	857153372	/nfs/dbraw/zinc/15/33/72/857153372.db2.gz	PBWXBAKFEBSNKK-JCBPLVBSSA-N	-1	3	361.398	1.992	20	10		FDCDHM
CCCNC(=O)CN1CCC(NC(=O)NCc2c([O-])cccc2F)CC1	ZINC000914116070	870887336	/nfs/dbraw/zinc/88/73/36/870887336.db2.gz	LSXRCCZATREADZ-UHFFFAOYSA-N	-1	3	366.437	1.321	20	10		FDCDHM
CS(C)(=O)=NS(=O)(=O)CCNCc1c([O-])ccc(Cl)c1F	ZINC000922492864	878355810	/nfs/dbraw/zinc/35/58/10/878355810.db2.gz	GTQHNUWSQHBHDP-UHFFFAOYSA-N	-1	3	358.844	1.332	20	10		FDCDHM
CS(=O)(=O)N[C@@H]1CCCN(Cc2c([O-])cccc2Br)C1	ZINC000707127975	886768368	/nfs/dbraw/zinc/76/83/68/886768368.db2.gz	PLZTXVZTHVIOFT-SNVBAGLBSA-N	-1	3	363.277	1.668	20	10		FDCDHM
COc1ccc(C(=O)N2CCN(C(=O)c3cc(O)c([O-])c(O)c3)CC2)cc1	ZINC000169821021	887101252	/nfs/dbraw/zinc/10/12/52/887101252.db2.gz	ASAWSVHRBBWUIT-UHFFFAOYSA-N	-1	3	372.377	1.410	20	10		FDCDHM
O=S(=O)(NCc1c([O-])cccc1F)c1cnn(CC(F)(F)F)c1	ZINC000921452032	888016345	/nfs/dbraw/zinc/01/63/45/888016345.db2.gz	AWFHSNOUYXQABW-UHFFFAOYSA-N	-1	3	353.297	1.769	20	10		FDCDHM
CCN(CCc1nccs1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000765175399	906464079	/nfs/dbraw/zinc/46/40/79/906464079.db2.gz	FSCROJHVOGAKPT-UHFFFAOYSA-N	-1	3	369.468	1.925	20	10		FDCDHM
CCn1cc(CN(C)C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cn1	ZINC000733810094	922040990	/nfs/dbraw/zinc/04/09/90/922040990.db2.gz	UHPWNSJSEQEVGU-UHFFFAOYSA-N	-1	3	352.416	1.252	20	10		FDCDHM
CC(C)(C)OC(=O)CCCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000769932046	929769423	/nfs/dbraw/zinc/76/94/23/929769423.db2.gz	NFNPEYUDAUOAAZ-UHFFFAOYSA-N	-1	3	372.443	1.615	20	10		FDCDHM
O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)[N-]OCCO	ZINC000787299614	932255240	/nfs/dbraw/zinc/25/52/40/932255240.db2.gz	SBSSZQUKSTZMIV-PKNBQFBNSA-N	-1	3	372.493	1.770	20	10		FDCDHM
COC(=O)[C@@H](NCc1cc(Br)ccc1[O-])c1ccn(C)n1	ZINC000787438395	932285189	/nfs/dbraw/zinc/28/51/89/932285189.db2.gz	QGJNAPKATLDLLC-ZDUSSCGKSA-N	-1	3	354.204	1.892	20	10		FDCDHM
O=S1(=O)CCN(C2CCN(Cc3c([O-])cccc3Cl)CC2)CC1	ZINC000789558297	933102551	/nfs/dbraw/zinc/10/25/51/933102551.db2.gz	WAVTWWAUFLETPN-UHFFFAOYSA-N	-1	3	358.891	1.740	20	10		FDCDHM
CCNC(=O)COc1ccc(CNC(=O)c2cccc(O)c2[O-])cc1OC	ZINC000790539792	933580104	/nfs/dbraw/zinc/58/01/04/933580104.db2.gz	SUWCVUZODYOGLT-UHFFFAOYSA-N	-1	3	374.393	1.551	20	10		FDCDHM
C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)c2cccc(O)c2[O-])CCO1	ZINC000790891848	933773856	/nfs/dbraw/zinc/77/38/56/933773856.db2.gz	NCCFJBYUHPYBHV-FZMZJTMJSA-N	-1	3	366.414	1.852	20	10		FDCDHM
CCOC(=O)C1CCN(S(=O)(=O)Nc2ccc([O-])c(Cl)c2)CC1	ZINC000808102673	940518743	/nfs/dbraw/zinc/51/87/43/940518743.db2.gz	ISINSECBJMRSJV-UHFFFAOYSA-N	-1	3	362.835	1.977	20	10		FDCDHM
O=C1COC2(CCN(Cc3cc(Br)c(F)cc3[O-])CC2)CN1	ZINC001144306663	948614804	/nfs/dbraw/zinc/61/48/04/948614804.db2.gz	LEXRJPXIVGKLHW-UHFFFAOYSA-N	-1	3	373.222	1.775	20	10		FDCDHM
O=C1NC(=O)C2(CCN(Cc3cc(Br)c(F)cc3[O-])CC2)N1	ZINC001144308124	948621549	/nfs/dbraw/zinc/62/15/49/948621549.db2.gz	QJAFDHFIKHPXAV-UHFFFAOYSA-N	-1	3	372.194	1.468	20	10		FDCDHM
COC(=O)[C@@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])CC1CC1	ZINC000846457563	951089958	/nfs/dbraw/zinc/08/99/58/951089958.db2.gz	HSEHSHNWWWZIBZ-LLVKDONJSA-N	-1	3	370.427	1.083	20	10		FDCDHM
C[C@@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C2(CCC2)CO1	ZINC000846510082	951210985	/nfs/dbraw/zinc/21/09/85/951210985.db2.gz	CSWXKNZEFICVFN-LLVKDONJSA-N	-1	3	354.428	1.547	20	10		FDCDHM
Cc1noc(C)c1CN1CCO[C@H]2CN(C(=O)c3cccc(O)c3[O-])C[C@H]21	ZINC001148214490	952649510	/nfs/dbraw/zinc/64/95/10/952649510.db2.gz	UIYUGBBSCIOWAP-WBVHZDCISA-N	-1	3	373.409	1.428	20	10		FDCDHM
O=C(c1cc(O)c([O-])c(O)c1)N1CC[C@H](F)[C@](O)(C(F)(F)F)CC1	ZINC001148581877	952757157	/nfs/dbraw/zinc/75/71/57/952757157.db2.gz	FCRSSDCZNQVTHM-GWCFXTLKSA-N	-1	3	353.268	1.671	20	10		FDCDHM
CC(=O)N[C@@H](CCO)C(=O)NCc1cc(Cl)c2cccnc2c1[O-]	ZINC001182134495	961481592	/nfs/dbraw/zinc/48/15/92/961481592.db2.gz	IDWJZDHXSGILTN-ZDUSSCGKSA-N	-1	3	351.790	1.097	20	10		FDCDHM
COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)CCc1ccc(O)c(O)c1	ZINC001182153680	961502012	/nfs/dbraw/zinc/50/20/12/961502012.db2.gz	FDBZGMMLAXZTRZ-UHFFFAOYSA-N	-1	3	362.338	1.570	20	10		FDCDHM
Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)N3CCN4CC[C@H]4C3)cc12	ZINC001184360679	963541393	/nfs/dbraw/zinc/54/13/93/963541393.db2.gz	JCBLQLAOEIHZRQ-HNNXBMFYSA-N	-1	3	371.437	1.155	20	10		FDCDHM
COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1c([O-])cccc1F	ZINC001178413198	964227676	/nfs/dbraw/zinc/22/76/76/964227676.db2.gz	OBTGWOPPEJHEKT-LBPRGKRZSA-N	-1	3	370.377	1.604	20	10		FDCDHM
C[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccccc1NS(C)(=O)=O	ZINC000776337081	975929562	/nfs/dbraw/zinc/92/95/62/975929562.db2.gz	YNGQZYQXICRMMG-SNVBAGLBSA-N	-1	3	350.396	1.960	20	10		FDCDHM
COC[C@H](CC(C)(C)C)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000848313565	976601240	/nfs/dbraw/zinc/60/12/40/976601240.db2.gz	VSFUDLPLGSGKNG-LBPRGKRZSA-N	-1	3	358.460	1.945	20	10		FDCDHM
COc1cc(Br)cc(CN[C@@H](C(=O)[O-])c2ccnn2C)c1O	ZINC000843039159	979329713	/nfs/dbraw/zinc/32/97/13/979329713.db2.gz	NOJUQDWYZYLEFO-GFCCVEGCSA-N	-1	3	370.203	1.812	20	10		FDCDHM
CCN(CC)c1ccc(CNC(=O)N2CCN(C)C[C@@H](C(=O)[O-])C2)cc1	ZINC001596289741	983709784	/nfs/dbraw/zinc/70/97/84/983709784.db2.gz	NBFSRTLKTHZTLK-MRXNPFEDSA-N	-1	3	362.474	1.691	20	10		FDCDHM
CN(C(=O)c1cccc(O)c1[O-])[C@@H]1CC(=O)N(Cc2ccccc2)C1=O	ZINC000365753100	988046497	/nfs/dbraw/zinc/04/64/97/988046497.db2.gz	LHVYPSJXMQZSGO-CQSZACIVSA-N	-1	3	354.362	1.498	20	10		FDCDHM
C[C@@H](NCCS(=O)(=O)CC(F)(F)F)c1cc(C(=O)[O-])ccc1O	ZINC001593272258	994611466	/nfs/dbraw/zinc/61/14/66/994611466.db2.gz	QZYOYTGTJVKDIU-MRVPVSSYSA-N	-1	3	355.334	1.718	20	10		FDCDHM
O=C(Cc1csc(N2CCOCC2)n1)NCc1c([O-])cccc1F	ZINC000928708292	1001632333	/nfs/dbraw/zinc/63/23/33/1001632333.db2.gz	JRZQXYGJALTMAP-UHFFFAOYSA-N	-1	3	351.403	1.683	20	10		FDCDHM
O=C(Cn1cc(C(=O)NCc2c([O-])cccc2F)cn1)NC1CCCC1	ZINC000928705482	1001632437	/nfs/dbraw/zinc/63/24/37/1001632437.db2.gz	KKTIFKNYAFMATF-UHFFFAOYSA-N	-1	3	360.389	1.717	20	10		FDCDHM
NS(=O)(=O)C[C@@H]1CCCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1	ZINC000271169543	674317817	/nfs/dbraw/zinc/31/78/17/674317817.db2.gz	IJVUWPBIZVPVHC-SECBINFHSA-N	-1	3	363.823	1.454	20	10		FDCDHM
COCCN(Cc1ccco1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000271217900	674324030	/nfs/dbraw/zinc/32/40/30/674324030.db2.gz	NTJNSAXEQQSMOV-UHFFFAOYSA-N	-1	3	368.411	1.646	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N(Cc2ccncc2)C2CC2)c1	ZINC000271268629	674329962	/nfs/dbraw/zinc/32/99/62/674329962.db2.gz	NYUFNLIRWQVQOC-UHFFFAOYSA-N	-1	3	361.423	1.964	20	10		FDCDHM
CN(CCNCc1cc([N+](=O)[O-])ccc1[O-])S(=O)(=O)c1cccs1	ZINC000158357337	524453285	/nfs/dbraw/zinc/45/32/85/524453285.db2.gz	YRDOKAOEUOZXNE-UHFFFAOYSA-N	-1	3	371.440	1.772	20	10		FDCDHM
CCN(Cc1cc(Br)ccc1[O-])Cc1nc(N)nc(N)n1	ZINC000173992561	524502041	/nfs/dbraw/zinc/50/20/41/524502041.db2.gz	FQOVVSUTMFOCEQ-UHFFFAOYSA-N	-1	3	353.224	1.526	20	10		FDCDHM
C[C@H](c1ccccc1)N(CC(=O)N1CCNC(=O)C1)Cc1ccccc1[O-]	ZINC000176685588	525165568	/nfs/dbraw/zinc/16/55/68/525165568.db2.gz	ZGSFWLYSROERNL-MRXNPFEDSA-N	-1	3	367.449	1.914	20	10		FDCDHM
Cc1cc(Br)cc(CN2CC[C@@H](NS(C)(=O)=O)C2)c1[O-]	ZINC000180333409	525692443	/nfs/dbraw/zinc/69/24/43/525692443.db2.gz	WPJDAIJDVIYQTB-GFCCVEGCSA-N	-1	3	363.277	1.587	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCC2(O)CCCCCC2)c1	ZINC000267134293	536959046	/nfs/dbraw/zinc/95/90/46/536959046.db2.gz	GAEPSPTUSFVGJH-UHFFFAOYSA-N	-1	3	356.444	1.579	20	10		FDCDHM
CCN(CC)C(=O)CN1CCCN(C(=O)c2ccc(C)c(O)c2[O-])CC1	ZINC000267612175	536983515	/nfs/dbraw/zinc/98/35/15/536983515.db2.gz	RQXBBBJPYLCEAN-UHFFFAOYSA-N	-1	3	363.458	1.423	20	10		FDCDHM
CCO[C@H]1C[C@@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C12CCC2	ZINC000266452515	537203344	/nfs/dbraw/zinc/20/33/44/537203344.db2.gz	BZEGKVVNEFVDKS-CABCVRRESA-N	-1	3	368.455	1.841	20	10		FDCDHM
CCN(Cc1cc(Br)ccc1[O-])C(=O)C1CN(C(C)=O)C1	ZINC000191908729	537214602	/nfs/dbraw/zinc/21/46/02/537214602.db2.gz	QFJXCYVOJORMCR-UHFFFAOYSA-N	-1	3	355.232	1.982	20	10		FDCDHM
O=C1NC(=O)C2(CCN(Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])CC2)N1	ZINC000272766960	537332295	/nfs/dbraw/zinc/33/22/95/537332295.db2.gz	MIBVRMZPSKZWNZ-UHFFFAOYSA-N	-1	3	354.750	1.128	20	10		FDCDHM
COCCO[C@@H]1C[C@H](CO)CN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1	ZINC000278568972	537339675	/nfs/dbraw/zinc/33/96/75/537339675.db2.gz	BSFMLTMBKJQBKQ-GXTWGEPZSA-N	-1	3	370.402	1.155	20	10		FDCDHM
CS(=O)(=O)CCCN1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O	ZINC000277547696	537618122	/nfs/dbraw/zinc/61/81/22/537618122.db2.gz	ZNDBBYLBGQISJU-UHFFFAOYSA-N	-1	3	360.819	1.245	20	10		FDCDHM
O=C(N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1)c1cccc(O)c1[O-]	ZINC000377137566	537956537	/nfs/dbraw/zinc/95/65/37/537956537.db2.gz	DNDNJJHYYRUBNF-LBPRGKRZSA-N	-1	3	362.407	1.291	20	10		FDCDHM
COCCN(C(=O)C=Cc1cnccn1)c1ccc(-c2nnn[n-]2)cc1	ZINC000736987940	599204166	/nfs/dbraw/zinc/20/41/66/599204166.db2.gz	HIHIIRNEIQFSEA-QPJJXVBHSA-N	-1	3	351.370	1.350	20	10		FDCDHM
COCCN(C(=O)C=Cc1cnccn1)c1ccc(-c2nn[n-]n2)cc1	ZINC000736987940	599204167	/nfs/dbraw/zinc/20/41/67/599204167.db2.gz	HIHIIRNEIQFSEA-QPJJXVBHSA-N	-1	3	351.370	1.350	20	10		FDCDHM
COc1cccc(CNC(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)c1O	ZINC000737132446	598320975	/nfs/dbraw/zinc/32/09/75/598320975.db2.gz	YAUQZTDOLCKTTJ-NSHDSACASA-N	-1	3	369.381	1.665	20	10		FDCDHM
COc1cccc(CNC(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)c1O	ZINC000737132446	598320977	/nfs/dbraw/zinc/32/09/77/598320977.db2.gz	YAUQZTDOLCKTTJ-NSHDSACASA-N	-1	3	369.381	1.665	20	10		FDCDHM
COc1cccc(CNC(=O)NCc2ccc(-c3nnn[n-]3)cc2)c1O	ZINC000821868998	599668281	/nfs/dbraw/zinc/66/82/81/599668281.db2.gz	XWBRVWHNMVLVSB-UHFFFAOYSA-N	-1	3	354.370	1.580	20	10		FDCDHM
COc1cccc(CNC(=O)NCc2ccc(-c3nn[n-]n3)cc2)c1O	ZINC000821868998	599668282	/nfs/dbraw/zinc/66/82/82/599668282.db2.gz	XWBRVWHNMVLVSB-UHFFFAOYSA-N	-1	3	354.370	1.580	20	10		FDCDHM
Cc1cccc(S(=O)(=O)NCc2ccc(N(C)C)cc2)c1-c1nnn[n-]1	ZINC000826303620	607581201	/nfs/dbraw/zinc/58/12/01/607581201.db2.gz	XBGNBAWJHQMUCI-UHFFFAOYSA-N	-1	3	372.454	1.720	20	10		FDCDHM
Cc1cccc(S(=O)(=O)NCc2ccc(N(C)C)cc2)c1-c1nn[n-]n1	ZINC000826303620	607581202	/nfs/dbraw/zinc/58/12/02/607581202.db2.gz	XBGNBAWJHQMUCI-UHFFFAOYSA-N	-1	3	372.454	1.720	20	10		FDCDHM
C[C@H]1C[C@H](CNC(=O)[O-])CN1CC(=O)N(C)Cc1ccc(N(C)C)cc1	ZINC000833832658	605904821	/nfs/dbraw/zinc/90/48/21/605904821.db2.gz	UMVDSNUQBZTUSD-GOEBONIOSA-N	-1	3	362.474	1.689	20	10		FDCDHM
CN(CC(=O)NCc1cccc(-c2nnn[n-]2)c1)c1ccc2c(c1)OCO2	ZINC000825892625	607927386	/nfs/dbraw/zinc/92/73/86/607927386.db2.gz	QPHMYZPEIRXGCM-UHFFFAOYSA-N	-1	3	366.381	1.348	20	10		FDCDHM
CN(CC(=O)NCc1cccc(-c2nn[n-]n2)c1)c1ccc2c(c1)OCO2	ZINC000825892625	607927387	/nfs/dbraw/zinc/92/73/87/607927387.db2.gz	QPHMYZPEIRXGCM-UHFFFAOYSA-N	-1	3	366.381	1.348	20	10		FDCDHM
Cc1cc(C(=O)NC2(CO)CCC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1	ZINC000826258275	608473591	/nfs/dbraw/zinc/47/35/91/608473591.db2.gz	GBZYDWCKLRQYOC-UHFFFAOYSA-N	-1	3	366.425	1.919	20	10		FDCDHM
CN(CC1(O)CCCCCC1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000275231212	674617216	/nfs/dbraw/zinc/61/72/16/674617216.db2.gz	JHXFRSJNAXQQTQ-UHFFFAOYSA-N	-1	3	370.471	1.921	20	10		FDCDHM
CC[C@@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C[C@@H](C)[S@]1=O	ZINC000287264092	675914036	/nfs/dbraw/zinc/91/40/36/675914036.db2.gz	KEEANVKDTRVUJD-RCMSDAPLSA-N	-1	3	374.484	1.135	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCc2cc(F)ccc2F)c1	ZINC000104926149	671598882	/nfs/dbraw/zinc/59/88/82/671598882.db2.gz	PMONYWPENLLRMJ-UHFFFAOYSA-N	-1	3	356.350	1.972	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCCCn2ccnc2)c1	ZINC000115820862	671654294	/nfs/dbraw/zinc/65/42/94/671654294.db2.gz	ZLRQDYPVQJFAMI-UHFFFAOYSA-N	-1	3	352.416	1.170	20	10		FDCDHM
CCS(=O)(=O)N(C)C1CCN(Cc2cc(F)cc(C(C)=O)c2[O-])CC1	ZINC000177280377	672123848	/nfs/dbraw/zinc/12/38/48/672123848.db2.gz	COECZEXVRVSDRZ-UHFFFAOYSA-N	-1	3	372.462	1.980	20	10		FDCDHM
CSC1(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCOCC1	ZINC000266547245	673145140	/nfs/dbraw/zinc/14/51/40/673145140.db2.gz	MEVMLUPOSQHFSE-UHFFFAOYSA-N	-1	3	374.484	1.406	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC[C@@H]([C@H]3CCOC3)C2)c1	ZINC000366649541	677457283	/nfs/dbraw/zinc/45/72/83/677457283.db2.gz	DGUYCKCBUIOUTP-NEPJUHHUSA-N	-1	3	354.428	1.262	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCOCC3(CCC3)C2)c1	ZINC000371858037	677794308	/nfs/dbraw/zinc/79/43/08/677794308.db2.gz	JZODLZHUFIDQIX-UHFFFAOYSA-N	-1	3	354.428	1.406	20	10		FDCDHM
CNS(=O)(=O)[C@@H]1CCCN(Cc2cc(Br)ccc2[O-])C1	ZINC000372403204	677911299	/nfs/dbraw/zinc/91/12/99/677911299.db2.gz	ALLXVABYGPHVKA-GFCCVEGCSA-N	-1	3	363.277	1.668	20	10		FDCDHM
CNS(=O)(=O)c1cccc2c1CCN(C(=O)c1cccc(O)c1[O-])C2	ZINC000375825771	678181585	/nfs/dbraw/zinc/18/15/85/678181585.db2.gz	SDWIDTPKOZVMDQ-UHFFFAOYSA-N	-1	3	362.407	1.204	20	10		FDCDHM
O=C(CN1CCN(C(=O)c2cccc(O)c2[O-])CC1)NCc1ccccc1	ZINC000274918637	770992890	/nfs/dbraw/zinc/99/28/90/770992890.db2.gz	WROIPUNZNOMGLL-UHFFFAOYSA-N	-1	3	369.421	1.172	20	10		FDCDHM
NC(=O)[C@H]1CCCN(c2ccc(CN=c3ncnc4[nH][n-]cc3-4)cc2)C1	ZINC000917391343	883384266	/nfs/dbraw/zinc/38/42/66/883384266.db2.gz	RZZVDWCPGRTZNY-ZDUSSCGKSA-N	-1	3	351.414	1.040	20	10		FDCDHM
CS(=O)(=O)NC1CCN(Cc2c([O-])cccc2Br)CC1	ZINC000707127716	886767779	/nfs/dbraw/zinc/76/77/79/886767779.db2.gz	KURLBNVIYYDJJV-UHFFFAOYSA-N	-1	3	363.277	1.668	20	10		FDCDHM
C[C@H]1C[C@H](NC(=O)NCc2c([O-])cccc2F)C(=O)N1c1cnn(C)c1	ZINC000920903079	887315097	/nfs/dbraw/zinc/31/50/97/887315097.db2.gz	XAQXLPLOUCMYPE-HZMBPMFUSA-N	-1	3	361.377	1.258	20	10		FDCDHM
C[C@@H]1C[C@H](NC(=O)NCc2c([O-])cccc2F)C(=O)N1c1cnn(C)c1	ZINC000920903082	887315489	/nfs/dbraw/zinc/31/54/89/887315489.db2.gz	XAQXLPLOUCMYPE-YGRLFVJLSA-N	-1	3	361.377	1.258	20	10		FDCDHM
O=S(=O)(C[C@@H]1COc2ccccc2O1)NCc1c([O-])cccc1F	ZINC000921451280	888016494	/nfs/dbraw/zinc/01/64/94/888016494.db2.gz	NARMCYFYXLVGJV-NSHDSACASA-N	-1	3	353.371	1.791	20	10		FDCDHM
CCc1nc(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cs1	ZINC000730841362	917356764	/nfs/dbraw/zinc/35/67/64/917356764.db2.gz	JOAHIZNKYUTVJF-UHFFFAOYSA-N	-1	3	355.441	1.713	20	10		FDCDHM
C[C@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])CC1(C)OCCO1	ZINC000743487997	926376610	/nfs/dbraw/zinc/37/66/10/926376610.db2.gz	BHCHWTNWFQWUSY-NSHDSACASA-N	-1	3	372.443	1.283	20	10		FDCDHM
CC(C)OC(=O)[C@H](C)CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000743735923	926455580	/nfs/dbraw/zinc/45/55/80/926455580.db2.gz	IPXVPSNETCCRGP-SNVBAGLBSA-N	-1	3	358.416	1.081	20	10		FDCDHM
Cc1ccc(C(=O)Nc2ccc(C[C@@H]3CC(=O)NC3=O)cc2)c([O-])c1O	ZINC000770501171	930053298	/nfs/dbraw/zinc/05/32/98/930053298.db2.gz	CVLOTQSXXBKRAC-GFCCVEGCSA-N	-1	3	354.362	1.864	20	10		FDCDHM
CCOC(=O)c1nnc(CNC(=O)c2cc(C)n(-c3ccccn3)c2C)[n-]1	ZINC000787916287	932464713	/nfs/dbraw/zinc/46/47/13/932464713.db2.gz	UANSZUKTLACLCA-UHFFFAOYSA-N	-1	3	368.397	1.714	20	10		FDCDHM
C[C@]1(c2ccc(CNC(=O)c3cccc(O)c3[O-])cc2)NC(=O)NC1=O	ZINC000790627124	933648301	/nfs/dbraw/zinc/64/83/01/933648301.db2.gz	OOVWWYTYEBSSRB-GOSISDBHSA-N	-1	3	355.350	1.082	20	10		FDCDHM
COc1ccc(N2CC[C@@H](C[N-]S(=O)(=O)c3c[nH]nc3Cl)C2)cc1	ZINC000819888713	943773691	/nfs/dbraw/zinc/77/36/91/943773691.db2.gz	YUKSNYIRLOLXOL-NSHDSACASA-N	-1	3	370.862	1.877	20	10		FDCDHM
COCC1(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCCCC1	ZINC000856453893	971164578	/nfs/dbraw/zinc/16/45/78/971164578.db2.gz	FONXCONQQMCBBU-UHFFFAOYSA-N	-1	3	356.444	1.843	20	10		FDCDHM
C[S@](=O)CCN1CCN(Cc2ccc(Br)cc2[O-])CC1	ZINC000824856160	946811937	/nfs/dbraw/zinc/81/19/37/946811937.db2.gz	UBJZJWQLPPPGNP-FQEVSTJZSA-N	-1	3	361.305	1.651	20	10		FDCDHM
O=S(=O)([N-]Cc1ccc(O)cc1O)c1cccc(Br)n1	ZINC001196328134	971623075	/nfs/dbraw/zinc/62/30/75/971623075.db2.gz	YCMOYHSVAAJBDH-UHFFFAOYSA-N	-1	3	359.201	1.734	20	10		FDCDHM
CCN1C[C@H](CN(CC(=O)OC)Cc2cc(Cl)ccc2[O-])OC1=O	ZINC000846824160	951595368	/nfs/dbraw/zinc/59/53/68/951595368.db2.gz	IUGWDFXEWZLIGK-ZDUSSCGKSA-N	-1	3	356.806	1.861	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC[C@H](O)CC23CCC3)c1	ZINC000857542697	971794143	/nfs/dbraw/zinc/79/41/43/971794143.db2.gz	VWNHZISNRGZXOU-LBPRGKRZSA-N	-1	3	354.428	1.283	20	10		FDCDHM
O=C(c1cccc(O)c1[O-])N1CCO[C@@]2(CCCN(c3cnccn3)C2)C1	ZINC001148213841	952648354	/nfs/dbraw/zinc/64/83/54/952648354.db2.gz	KNQJNEJUPZCVAE-LJQANCHMSA-N	-1	3	370.409	1.399	20	10		FDCDHM
O=C(c1cc(O)c([O-])c(O)c1)N1CC[C@@H]2[C@H]1CC(=O)N2Cc1cccnc1	ZINC001148582278	952757217	/nfs/dbraw/zinc/75/72/17/952757217.db2.gz	IGQILJZSAPHJHW-ZIAGYGMSSA-N	-1	3	369.377	1.214	20	10		FDCDHM
O=C(c1cc(O)c([O-])c(O)c1)N1CC[C@H](F)[C@@](O)(C(F)(F)F)CC1	ZINC001148581878	952757233	/nfs/dbraw/zinc/75/72/33/952757233.db2.gz	FCRSSDCZNQVTHM-GXFFZTMASA-N	-1	3	353.268	1.671	20	10		FDCDHM
O=C(c1cc(O)c([O-])c(O)c1)N1CCN(c2ccc3n[nH]cc3c2)CC1	ZINC001148583986	952757860	/nfs/dbraw/zinc/75/78/60/952757860.db2.gz	JPNRQGHYVMDNHV-UHFFFAOYSA-N	-1	3	354.366	1.642	20	10		FDCDHM
O=S(=O)(c1cc[nH]n1)N1CCN(Cc2ccc(Cl)cc2[O-])CC1	ZINC001182226937	961601651	/nfs/dbraw/zinc/60/16/51/961601651.db2.gz	MLHXOIZFOCNTGV-UHFFFAOYSA-N	-1	3	356.835	1.275	20	10		FDCDHM
O=C(CCNS(=O)(=O)c1ccccc1)NCc1c([O-])cccc1F	ZINC001178410932	964227760	/nfs/dbraw/zinc/22/77/60/964227760.db2.gz	ZJDZIVYJWQOTFC-UHFFFAOYSA-N	-1	3	352.387	1.516	20	10		FDCDHM
CNC(=O)c1cnc2n1CCN(Cc1cc(Br)ccc1[O-])C2	ZINC001203640316	964553810	/nfs/dbraw/zinc/55/38/10/964553810.db2.gz	WWJDWDUKQHTPNI-UHFFFAOYSA-N	-1	3	365.231	1.727	20	10		FDCDHM
COC(=O)[C@H]1CN(C(C)=O)CCN1Cc1cc(Br)ccc1[O-]	ZINC001203650417	964919113	/nfs/dbraw/zinc/91/91/13/964919113.db2.gz	SUJZDROYYVLPAU-CYBMUJFWSA-N	-1	3	371.231	1.360	20	10		FDCDHM
COC(=O)[C@@H]1CN(C(C)=O)CCN1Cc1cc(Br)ccc1[O-]	ZINC001203650424	964919756	/nfs/dbraw/zinc/91/97/56/964919756.db2.gz	SUJZDROYYVLPAU-ZDUSSCGKSA-N	-1	3	371.231	1.360	20	10		FDCDHM
C[C@@]12CSC[C@@H]1CN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C2	ZINC001180044980	965085086	/nfs/dbraw/zinc/08/50/86/965085086.db2.gz	WYQYTCPLEIISHQ-ZUZCIYMTSA-N	-1	3	356.469	1.589	20	10		FDCDHM
CN1CCN(c2cc(NC(=O)c3cc(O)c([O-])c(Cl)c3)ncn2)CC1	ZINC001193589292	969752830	/nfs/dbraw/zinc/75/28/30/969752830.db2.gz	HIYHTDWPNCYKCS-UHFFFAOYSA-N	-1	3	363.805	1.545	20	10		FDCDHM
Cn1ccnc1S(=O)(=O)NCc1cc(Cl)c2cccnc2c1[O-]	ZINC001193618130	969770146	/nfs/dbraw/zinc/77/01/46/969770146.db2.gz	YOLAIOWKVKLEEW-UHFFFAOYSA-N	-1	3	352.803	1.806	20	10		FDCDHM
O=C(Cc1ccc(NC(=O)c2cccc(O)c2[O-])cc1)N1CCOCC1	ZINC000776333139	975810321	/nfs/dbraw/zinc/81/03/21/975810321.db2.gz	LKPDNWKHUAXMLX-UHFFFAOYSA-N	-1	3	356.378	1.751	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H](OC3CCC3)C2)c1	ZINC000848303776	976585639	/nfs/dbraw/zinc/58/56/39/976585639.db2.gz	RNTBWTUNSXJZRZ-AWEZNQCLSA-N	-1	3	368.455	1.937	20	10		FDCDHM
O=C(Cc1ccccc1)N1CC[C@H](CNC(=O)c2cccc(O)c2[O-])C1	ZINC000365755851	988048701	/nfs/dbraw/zinc/04/87/01/988048701.db2.gz	ZTBSYOQONHIJNH-OAHLLOKOSA-N	-1	3	354.406	1.919	20	10		FDCDHM
C[C@@H]1CN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C[C@H]1C(=O)[O-]	ZINC001599857375	989111132	/nfs/dbraw/zinc/11/11/32/989111132.db2.gz	LODYMLBHWWBUSV-KBRIMQKVSA-N	-1	3	362.474	1.717	20	10		FDCDHM
CN1CCN(C(=O)NCCCSc2nccs2)C[C@@H](C(=O)[O-])C1	ZINC001598607643	993696479	/nfs/dbraw/zinc/69/64/79/993696479.db2.gz	RNRUVSKUSDYNCH-NSHDSACASA-N	-1	3	358.489	1.283	20	10		FDCDHM
COC(=O)C1=NO[C@]2(CCN(Cc3cc(F)cc(C(C)=O)c3[O-])C2)C1	ZINC000879484081	994949685	/nfs/dbraw/zinc/94/96/85/994949685.db2.gz	RWKZVEIJMMFGJY-QGZVFWFLSA-N	-1	3	350.346	1.628	20	10		FDCDHM
C[N-]S(=O)(=O)c1cc(C(=O)NCc2ccc(O)c(O)c2)ccc1F	ZINC000778913921	1006998750	/nfs/dbraw/zinc/99/87/50/1006998750.db2.gz	FPZQMPDFJNWBGS-UHFFFAOYSA-N	-1	3	354.359	1.075	20	10		FDCDHM
CN(CC(=O)N(CCC(N)=O)Cc1ccccc1)Cc1ccccc1[O-]	ZINC000109770565	526179728	/nfs/dbraw/zinc/17/97/28/526179728.db2.gz	QGKOPOMIHKNGOX-UHFFFAOYSA-N	-1	3	355.438	1.728	20	10		FDCDHM
CC(=O)N1CCN(c2ccc(CNC(=O)c3cccc([O-])c3)cc2)CC1	ZINC000190236564	537155858	/nfs/dbraw/zinc/15/58/58/537155858.db2.gz	JIVPAVXVUBNATM-UHFFFAOYSA-N	-1	3	353.422	1.991	20	10		FDCDHM
CCc1cnc(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])s1	ZINC000266462655	537204321	/nfs/dbraw/zinc/20/43/21/537204321.db2.gz	HCUUKPPCVIMTSD-UHFFFAOYSA-N	-1	3	355.441	1.713	20	10		FDCDHM
O=S1(=O)CCN(C2CCN(Cc3cc(Cl)ccc3[O-])CC2)CC1	ZINC000191940706	537215195	/nfs/dbraw/zinc/21/51/95/537215195.db2.gz	ZAVXBPYWOGLYFG-UHFFFAOYSA-N	-1	3	358.891	1.740	20	10		FDCDHM
Cc1ccc(C(=O)N[C@H]2CCN(C(=O)COc3ccccc3)C2)c([O-])c1O	ZINC000282551913	537328653	/nfs/dbraw/zinc/32/86/53/537328653.db2.gz	SOOSZCNGZBLUBZ-AWEZNQCLSA-N	-1	3	370.405	1.816	20	10		FDCDHM
C[C@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C[C@H](C2CC2)O1	ZINC000279952538	537359908	/nfs/dbraw/zinc/35/99/08/537359908.db2.gz	KADYAYVYGPENBT-ZUZCIYMTSA-N	-1	3	354.428	1.403	20	10		FDCDHM
COC(=O)C1(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCCCC1	ZINC000271221728	537412309	/nfs/dbraw/zinc/41/23/09/537412309.db2.gz	GDZFQGVQZGGFBW-UHFFFAOYSA-N	-1	3	370.427	1.369	20	10		FDCDHM
COc1c([O-])c(CN2CCN([C@@H]3CCC[C@H]3O)CC2)ccc1[N+](=O)[O-]	ZINC000373201995	538092623	/nfs/dbraw/zinc/09/26/23/538092623.db2.gz	BPJZLGVUAFUZGB-UKRRQHHQSA-N	-1	3	351.403	1.340	20	10		FDCDHM
CO[C@@H]1[C@H](C)[C@@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1(C)C	ZINC000271994431	674403627	/nfs/dbraw/zinc/40/36/27/674403627.db2.gz	QMAORSVELJLJDR-OWYVNGRQSA-N	-1	3	356.444	1.553	20	10		FDCDHM
COC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N(C)Cc1ccccc1O	ZINC000736901406	598864315	/nfs/dbraw/zinc/86/43/15/598864315.db2.gz	KUPQALKKFQXORS-INIZCTEOSA-N	-1	3	353.382	1.918	20	10		FDCDHM
COc1ccc(O)c(CNC(=O)CCc2ccc(-c3nnn[n-]3)cc2)c1	ZINC000737105452	598921803	/nfs/dbraw/zinc/92/18/03/598921803.db2.gz	GTGFLPZVGGOYBX-UHFFFAOYSA-N	-1	3	353.382	1.830	20	10		FDCDHM
COc1ccc(O)c(CNC(=O)CCc2ccc(-c3nn[n-]n3)cc2)c1	ZINC000737105452	598921804	/nfs/dbraw/zinc/92/18/04/598921804.db2.gz	GTGFLPZVGGOYBX-UHFFFAOYSA-N	-1	3	353.382	1.830	20	10		FDCDHM
Cc1cc(N(C)C)ccc1CNC(=O)COc1ccc(-c2nn[n-]n2)cc1	ZINC000737270654	599017248	/nfs/dbraw/zinc/01/72/48/599017248.db2.gz	NZVZXTZPGRFEGM-UHFFFAOYSA-N	-1	3	366.425	1.936	20	10		FDCDHM
Cc1cc(C(=O)N2CCOCC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1	ZINC000737234828	598609451	/nfs/dbraw/zinc/60/94/51/598609451.db2.gz	RADOFJONTRYLLZ-UHFFFAOYSA-N	-1	3	352.398	1.747	20	10		FDCDHM
CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1	ZINC000736828065	598638599	/nfs/dbraw/zinc/63/85/99/598638599.db2.gz	GNCJLFIJAZGHDX-UHFFFAOYSA-N	-1	3	370.344	1.309	20	10		FDCDHM
CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1	ZINC000736828065	598638601	/nfs/dbraw/zinc/63/86/01/598638601.db2.gz	GNCJLFIJAZGHDX-UHFFFAOYSA-N	-1	3	370.344	1.309	20	10		FDCDHM
COc1ccc(O)c(CNS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c1	ZINC000826210463	607637930	/nfs/dbraw/zinc/63/79/30/607637930.db2.gz	SOHAXACWYGGYBN-UHFFFAOYSA-N	-1	3	361.383	1.059	20	10		FDCDHM
COc1ccc(O)c(CNS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c1	ZINC000826210463	607637931	/nfs/dbraw/zinc/63/79/31/607637931.db2.gz	SOHAXACWYGGYBN-UHFFFAOYSA-N	-1	3	361.383	1.059	20	10		FDCDHM
C[C@H]1C[C@@H](CNC(=O)[O-])CN1CC(=O)N(C)Cc1ccc(N(C)C)cc1	ZINC000833832660	605904874	/nfs/dbraw/zinc/90/48/74/605904874.db2.gz	UMVDSNUQBZTUSD-HOCLYGCPSA-N	-1	3	362.474	1.689	20	10		FDCDHM
CN(c1cccc(-c2nnn[n-]2)c1)S(=O)(=O)c1cccc2nonc21	ZINC000821619061	607001214	/nfs/dbraw/zinc/00/12/14/607001214.db2.gz	HVNSZSVIJCNARB-UHFFFAOYSA-N	-1	3	357.355	1.228	20	10		FDCDHM
CN(c1cccc(-c2nn[n-]n2)c1)S(=O)(=O)c1cccc2nonc21	ZINC000821619061	607001216	/nfs/dbraw/zinc/00/12/16/607001216.db2.gz	HVNSZSVIJCNARB-UHFFFAOYSA-N	-1	3	357.355	1.228	20	10		FDCDHM
CCCN(Cc1ccccc1O)C(=O)CNc1ccc(-c2nnn[n-]2)cn1	ZINC000825322677	608225915	/nfs/dbraw/zinc/22/59/15/608225915.db2.gz	IRYIDYCPEMHRAS-UHFFFAOYSA-N	-1	3	367.413	1.818	20	10		FDCDHM
CCCN(Cc1ccccc1O)C(=O)CNc1ccc(-c2nn[n-]n2)cn1	ZINC000825322677	608225917	/nfs/dbraw/zinc/22/59/17/608225917.db2.gz	IRYIDYCPEMHRAS-UHFFFAOYSA-N	-1	3	367.413	1.818	20	10		FDCDHM
Cc1cc(C(=O)NN2CCCC2=O)c(C)n1-c1ccc(-c2nn[n-]n2)cc1	ZINC000826259754	609166182	/nfs/dbraw/zinc/16/61/82/609166182.db2.gz	DFMWEVMRZDTDGQ-UHFFFAOYSA-N	-1	3	365.397	1.541	20	10		FDCDHM
COc1ccc(N2CCCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)cc1	ZINC000826208951	609199786	/nfs/dbraw/zinc/19/97/86/609199786.db2.gz	HCRFBCAGUMDFIQ-UHFFFAOYSA-N	-1	3	367.413	1.556	20	10		FDCDHM
COc1ccc(N2CCCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)cc1	ZINC000826208951	609199788	/nfs/dbraw/zinc/19/97/88/609199788.db2.gz	HCRFBCAGUMDFIQ-UHFFFAOYSA-N	-1	3	367.413	1.556	20	10		FDCDHM
CC[C@H](CO)NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C	ZINC000825120233	609371989	/nfs/dbraw/zinc/37/19/89/609371989.db2.gz	IUIBTJTYFIZWQU-CQSZACIVSA-N	-1	3	354.414	1.775	20	10		FDCDHM
Cc1noc([C@@H]2CCCN2C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])n1	ZINC000286452308	675895875	/nfs/dbraw/zinc/89/58/75/675895875.db2.gz	FUYAGPFQSGGPMI-LBPRGKRZSA-N	-1	3	366.399	1.432	20	10		FDCDHM
Cc1cc(S(=O)(=O)NCCNC(=O)c2cccc(O)c2[O-])c(C)s1	ZINC000279826418	675352261	/nfs/dbraw/zinc/35/22/61/675352261.db2.gz	MWCNEJSCDSVZNL-UHFFFAOYSA-N	-1	3	370.452	1.484	20	10		FDCDHM
CCCN(Cc1ccc([N+](=O)[O-])c(OC)c1[O-])[C@@H]1CC(=O)N(C)C1=O	ZINC000283034720	675647596	/nfs/dbraw/zinc/64/75/96/675647596.db2.gz	NKEQXKNSZLOYOW-GFCCVEGCSA-N	-1	3	351.359	1.278	20	10		FDCDHM
COCCS(=O)(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1	ZINC000364430895	677017423	/nfs/dbraw/zinc/01/74/23/677017423.db2.gz	RFZUVNDOGNMVBY-AWEZNQCLSA-N	-1	3	362.879	1.576	20	10		FDCDHM
NC(=O)CSCC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1	ZINC000366400170	677440523	/nfs/dbraw/zinc/44/05/23/677440523.db2.gz	BRFPPTLLZFNHIS-ZDUSSCGKSA-N	-1	3	371.890	1.345	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC([C@H]3CCOC3)CC2)c1	ZINC000371721981	677765573	/nfs/dbraw/zinc/76/55/73/677765573.db2.gz	DDSXFYFKYJPFMX-ZDUSSCGKSA-N	-1	3	368.455	1.652	20	10		FDCDHM
COc1cccc(C[N-]S(=O)(=O)c2cnn(C)c2C(F)(F)F)c1O	ZINC000866840903	768852323	/nfs/dbraw/zinc/85/23/23/768852323.db2.gz	PIHKUEYLFWYCFO-UHFFFAOYSA-N	-1	3	365.333	1.632	20	10		FDCDHM
C[C@@H](O[C@@H](C)C(=O)[O-])C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	ZINC000899855434	846788709	/nfs/dbraw/zinc/78/87/09/846788709.db2.gz	WNPMLDSVRPIVDL-DVOMOZLQSA-N	-1	3	351.447	1.350	20	10		FDCDHM
CN1CCN(c2ncccc2CNC(=O)NCc2c([O-])cccc2F)CC1	ZINC000914420416	872822786	/nfs/dbraw/zinc/82/27/86/872822786.db2.gz	PMEHWKBONAUJPD-UHFFFAOYSA-N	-1	3	373.432	1.678	20	10		FDCDHM
CN(Cc1c([O-])cccc1Br)[C@@H]1CCN(S(C)(=O)=O)C1	ZINC000707156912	886770739	/nfs/dbraw/zinc/77/07/39/886770739.db2.gz	XTOFIQDVMBIJMF-SNVBAGLBSA-N	-1	3	363.277	1.620	20	10		FDCDHM
Cn1ccc(N2CCC[C@H](NC(=O)NCc3c([O-])cccc3F)C2=O)n1	ZINC000920632942	887117161	/nfs/dbraw/zinc/11/71/61/887117161.db2.gz	YNYNLUVMIUHWSZ-ZDUSSCGKSA-N	-1	3	361.377	1.260	20	10		FDCDHM
O=C(NCc1c([O-])cccc1F)NC[C@@H]1CN(Cc2ccncc2)CCO1	ZINC000923465914	889323029	/nfs/dbraw/zinc/32/30/29/889323029.db2.gz	NSMLAMJQNLEMDE-OAHLLOKOSA-N	-1	3	374.416	1.627	20	10		FDCDHM
CCN(CCc1ccccn1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000764350272	904441372	/nfs/dbraw/zinc/44/13/72/904441372.db2.gz	DMLNAJZXEMLHIE-UHFFFAOYSA-N	-1	3	363.439	1.864	20	10		FDCDHM
COCCC(=O)N1CCC(NC(=O)NCc2c([O-])cccc2F)CC1	ZINC000921528675	907602244	/nfs/dbraw/zinc/60/22/44/907602244.db2.gz	HLPUWDFOXGIGTE-UHFFFAOYSA-N	-1	3	353.394	1.358	20	10		FDCDHM
Cc1ccc(S(=O)(=O)NCCN(C)C(=O)c2cccc(O)c2[O-])cc1	ZINC000790806617	933728818	/nfs/dbraw/zinc/72/88/18/933728818.db2.gz	ARPXZSSDFUPWPO-UHFFFAOYSA-N	-1	3	364.423	1.457	20	10		FDCDHM
CN1C(=O)NCC12CCN(Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])CC2	ZINC000822529938	945030397	/nfs/dbraw/zinc/03/03/97/945030397.db2.gz	LENRMXMCNYPQDO-UHFFFAOYSA-N	-1	3	354.794	1.943	20	10		FDCDHM
COc1cccc(CNC(=O)NCc2cccc(-c3nnn[n-]3)c2)c1O	ZINC000821867631	945887466	/nfs/dbraw/zinc/88/74/66/945887466.db2.gz	HDXLTLXAGCVLAS-UHFFFAOYSA-N	-1	3	354.370	1.580	20	10		FDCDHM
COc1cccc(CNC(=O)NCc2cccc(-c3nn[n-]n3)c2)c1O	ZINC000821867631	945887478	/nfs/dbraw/zinc/88/74/78/945887478.db2.gz	HDXLTLXAGCVLAS-UHFFFAOYSA-N	-1	3	354.370	1.580	20	10		FDCDHM
C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1ccc(O)c(O)c1	ZINC000824739315	946922207	/nfs/dbraw/zinc/92/22/07/946922207.db2.gz	WDHPSVWBLCEMMC-SNVBAGLBSA-N	-1	3	355.354	1.362	20	10		FDCDHM
CC[C@@H](C)C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C(=O)OC	ZINC000843940778	947522402	/nfs/dbraw/zinc/52/24/02/947522402.db2.gz	WJQWLQBDQNYQFX-ZWNOBZJWSA-N	-1	3	372.443	1.471	20	10		FDCDHM
O=C(NC1CC1)[C@@H]1Cc2ccccc2CN1C(=O)c1cccc(O)c1[O-]	ZINC000843980467	947560507	/nfs/dbraw/zinc/56/05/07/947560507.db2.gz	KFMSSRCBDSJHIT-INIZCTEOSA-N	-1	3	352.390	1.944	20	10		FDCDHM
O=S(=O)([N-]CCc1ccc(O)c(O)c1)c1ccc(Br)cn1	ZINC001196178442	971526338	/nfs/dbraw/zinc/52/63/38/971526338.db2.gz	CAKBSYVNTURUDP-UHFFFAOYSA-N	-1	3	373.228	1.776	20	10		FDCDHM
C[C@H]([C@H]1Cc2ccccc2O1)N(C)Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1	ZINC000846255675	950803906	/nfs/dbraw/zinc/80/39/06/950803906.db2.gz	LGIILESMGPZOOT-BDJLRTHQSA-N	-1	3	368.393	1.957	20	10		FDCDHM
C[C@H](CO)C1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1	ZINC000846474369	951153123	/nfs/dbraw/zinc/15/31/23/951153123.db2.gz	KPQYXOXBNVEHCW-LLVKDONJSA-N	-1	3	356.444	1.244	20	10		FDCDHM
CO[C@@H](CN1CCN(C(=O)c2cc(O)c([O-])c(O)c2)CC1)c1ccccc1	ZINC001148588134	952760057	/nfs/dbraw/zinc/76/00/57/952760057.db2.gz	PFYLGFIMBDVVKA-SFHVURJKSA-N	-1	3	372.421	1.949	20	10		FDCDHM
COC(=O)[C@H](COCc1ccccc1)NC(=O)c1cc(O)c([O-])c(O)c1	ZINC001148590088	952761314	/nfs/dbraw/zinc/76/13/14/952761314.db2.gz	WXNTVSORRRWEIQ-ZDUSSCGKSA-N	-1	3	361.350	1.292	20	10		FDCDHM
COCC1(C)CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1	ZINC000773982460	961479733	/nfs/dbraw/zinc/47/97/33/961479733.db2.gz	VBHYRIIHAVUFJV-UHFFFAOYSA-N	-1	3	356.444	1.652	20	10		FDCDHM
COc1c([O-])c(CN[C@@H]2CON(C(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-]	ZINC001184125318	963438085	/nfs/dbraw/zinc/43/80/85/963438085.db2.gz	QQKNZSFJNJQAHI-NSHDSACASA-N	-1	3	369.374	1.950	20	10		FDCDHM
O=C(NCc1c([O-])cccc1F)[C@H](O)[C@](O)(c1ccccc1)C(F)(F)F	ZINC001178412606	964228286	/nfs/dbraw/zinc/22/82/86/964228286.db2.gz	BKGKSXXNFCKLNH-GOEBONIOSA-N	-1	3	373.302	1.959	20	10		FDCDHM
COc1ccc(N2CC[C@H](C[N-]S(=O)(=O)c3conc3C)C2)cc1	ZINC000867428104	975237285	/nfs/dbraw/zinc/23/72/85/975237285.db2.gz	GCISGRUAOCTDJW-CYBMUJFWSA-N	-1	3	351.428	1.796	20	10		FDCDHM
CCN1CCN(c2ccc(CNS(=O)(=O)c3ncc[n-]3)cc2F)CC1	ZINC000866747148	975988077	/nfs/dbraw/zinc/98/80/77/975988077.db2.gz	KNFOYBVXQTZNDL-UHFFFAOYSA-N	-1	3	367.450	1.169	20	10		FDCDHM
COC[C@@H](CC(C)(C)C)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000848313564	976601669	/nfs/dbraw/zinc/60/16/69/976601669.db2.gz	VSFUDLPLGSGKNG-GFCCVEGCSA-N	-1	3	358.460	1.945	20	10		FDCDHM
CC[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@@H]1CCCCO1	ZINC000848348728	976666194	/nfs/dbraw/zinc/66/61/94/976666194.db2.gz	DQDFQPAQGUCNHQ-ZFWWWQNUSA-N	-1	3	356.444	1.841	20	10		FDCDHM
C[S@](=O)CCN1CCN(Cc2c([O-])cccc2Br)CC1	ZINC000862248106	984281122	/nfs/dbraw/zinc/28/11/22/984281122.db2.gz	HPBKKONEAXJTIE-FQEVSTJZSA-N	-1	3	361.305	1.651	20	10		FDCDHM
COCC(COC)N1CCN(Cc2c([O-])cccc2Br)CC1	ZINC000862391541	984371700	/nfs/dbraw/zinc/37/17/00/984371700.db2.gz	FBIYKYMUNPKBIY-UHFFFAOYSA-N	-1	3	373.291	1.934	20	10		FDCDHM
CN1CCN(C(=O)[C@H]2CC23CCN(C(=O)c2cccc(O)c2[O-])CC3)CC1	ZINC000365933780	988240299	/nfs/dbraw/zinc/24/02/99/988240299.db2.gz	YJQDAOKJOWJWRK-OAHLLOKOSA-N	-1	3	373.453	1.114	20	10		FDCDHM
C[C@@H]([NH2+][C@H]1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1)c1ccccc1[O-]	ZINC001593231279	994372143	/nfs/dbraw/zinc/37/21/43/994372143.db2.gz	JAAKUFQZAJVAPE-QGXCKBJSSA-N	-1	3	353.440	1.853	20	10		FDCDHM
O=C(NCc1c([O-])cccc1F)c1cn(CCO)nc1C1CCOCC1	ZINC000928709769	1001632901	/nfs/dbraw/zinc/63/29/01/1001632901.db2.gz	FUOINBQGYRFEFX-UHFFFAOYSA-N	-1	3	363.389	1.544	20	10		FDCDHM
C[C@@]1(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCCC[C@H]1O	ZINC000268745214	674098155	/nfs/dbraw/zinc/09/81/55/674098155.db2.gz	RIMJPIBEVOHHQD-ZBFHGGJFSA-N	-1	3	356.444	1.435	20	10		FDCDHM
COC(=O)CN(CC(=O)NC[C@@H]1CCCO1)Cc1cc(Cl)ccc1[O-]	ZINC000269673277	674111497	/nfs/dbraw/zinc/11/14/97/674111497.db2.gz	XXLBEIUPUYPIAO-AWEZNQCLSA-N	-1	3	370.833	1.316	20	10		FDCDHM
CC(=O)c1cc(Cl)cc(CN2CCC3(CC2)NC(=O)N(C)C3=O)c1[O-]	ZINC000270949143	674290751	/nfs/dbraw/zinc/29/07/51/674290751.db2.gz	SMHJPLNBPXHJPW-UHFFFAOYSA-N	-1	3	365.817	1.764	20	10		FDCDHM
Nc1nccnc1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1	ZINC000158067906	524396492	/nfs/dbraw/zinc/39/64/92/524396492.db2.gz	VQOPKVIVILWFHZ-ZDUSSCGKSA-N	-1	3	361.833	1.812	20	10		FDCDHM
COc1cc(Br)cc(CN2CCN3C(=O)NC[C@@H]3C2)c1[O-]	ZINC000091864141	524802748	/nfs/dbraw/zinc/80/27/48/524802748.db2.gz	UOJGQFJAAJXFOX-LLVKDONJSA-N	-1	3	356.220	1.373	20	10		FDCDHM
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)[C@@H]1CCNC(=O)C1	ZINC000152671349	524966958	/nfs/dbraw/zinc/96/69/58/524966958.db2.gz	VHSSIJJIHJMURR-IUODEOHRSA-N	-1	3	365.861	1.652	20	10		FDCDHM
C[C@@H]1C[C@@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CN1C1CC1	ZINC000267858338	537001023	/nfs/dbraw/zinc/00/10/23/537001023.db2.gz	HZPFXMDRYVMDDG-ZYHUDNBSSA-N	-1	3	353.444	1.119	20	10		FDCDHM
CCOC(=O)C1(O)CCN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CC1	ZINC000278257329	537288004	/nfs/dbraw/zinc/28/80/04/537288004.db2.gz	QCTRBPZUBLXWHZ-UHFFFAOYSA-N	-1	3	354.359	1.199	20	10		FDCDHM
C[C@H]1CN(C(=O)C2CCN(C(=O)c3cccc(O)c3[O-])CC2)C[C@H](C)O1	ZINC000363934295	537373042	/nfs/dbraw/zinc/37/30/42/537373042.db2.gz	WYALCDVPOZZANF-STQMWFEESA-N	-1	3	362.426	1.586	20	10		FDCDHM
CC(C)C[C@@H]1COCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000271343440	537424788	/nfs/dbraw/zinc/42/47/88/537424788.db2.gz	WRTRJRPGFVFYMT-CYBMUJFWSA-N	-1	3	356.444	1.651	20	10		FDCDHM
CCOC(=O)[C@@H]1CC[C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1	ZINC000280796099	537463459	/nfs/dbraw/zinc/46/34/59/537463459.db2.gz	RSNHPCDSSCKFQW-MNOVXSKESA-N	-1	3	370.427	1.225	20	10		FDCDHM
COc1c([O-])c(CN2CCC[C@H](n3cc(CO)nn3)C2)ccc1[N+](=O)[O-]	ZINC000293522748	537500843	/nfs/dbraw/zinc/50/08/43/537500843.db2.gz	BFHNNTHOHLOIEB-ZDUSSCGKSA-N	-1	3	363.374	1.230	20	10		FDCDHM
CC(=O)c1cc(F)cc(CN2CCC[C@@H](CN(C)S(C)(=O)=O)C2)c1[O-]	ZINC000285513698	537723956	/nfs/dbraw/zinc/72/39/56/537723956.db2.gz	GEQPFQGWKZFHAF-ZDUSSCGKSA-N	-1	3	372.462	1.837	20	10		FDCDHM
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C	ZINC000571824624	549773944	/nfs/dbraw/zinc/77/39/44/549773944.db2.gz	QMYLKRAXLYHVPP-OAHLLOKOSA-N	-1	3	369.487	1.442	20	10		FDCDHM
Cc1cc(N(C)C)ccc1CNC(=O)CNc1ccc(-c2nn[n-]n2)cc1	ZINC000737270691	599037344	/nfs/dbraw/zinc/03/73/44/599037344.db2.gz	OSSYXRBAUXSJEQ-UHFFFAOYSA-N	-1	3	365.441	1.969	20	10		FDCDHM
COc1cccc(CNC(=O)CSc2ccc(-c3nnn[n-]3)cc2)c1O	ZINC000737131003	598321170	/nfs/dbraw/zinc/32/11/70/598321170.db2.gz	LXIFRALZJXYXIO-UHFFFAOYSA-N	-1	3	371.422	1.989	20	10		FDCDHM
COc1cccc(CNC(=O)CSc2ccc(-c3nn[n-]n3)cc2)c1O	ZINC000737131003	598321172	/nfs/dbraw/zinc/32/11/72/598321172.db2.gz	LXIFRALZJXYXIO-UHFFFAOYSA-N	-1	3	371.422	1.989	20	10		FDCDHM
O=C(COC(=O)C1=CC(=O)CS1)Nc1sccc1-c1nnn[n-]1	ZINC000737909000	598636375	/nfs/dbraw/zinc/63/63/75/598636375.db2.gz	OZHOHICIQCHZIO-UHFFFAOYSA-N	-1	3	351.369	1.491	20	10		FDCDHM
O=C([O-])/C=C\c1ccc(N2CCN(C3CCOCC3)CC2)c([N+](=O)[O-])c1	ZINC000833196043	601335478	/nfs/dbraw/zinc/33/54/78/601335478.db2.gz	MOYOYHCDWCPGFN-RQOWECAXSA-N	-1	3	361.398	1.994	20	10		FDCDHM
COc1ccc(O)c(CNC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c1	ZINC000821839461	606696773	/nfs/dbraw/zinc/69/67/73/606696773.db2.gz	VIIYDJLYULLUQY-UHFFFAOYSA-N	-1	3	361.308	1.789	20	10		FDCDHM
COc1ccc(O)c(CNC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1	ZINC000821839461	606696774	/nfs/dbraw/zinc/69/67/74/606696774.db2.gz	VIIYDJLYULLUQY-UHFFFAOYSA-N	-1	3	361.308	1.789	20	10		FDCDHM
O=C(CSCc1ccc(-c2nnn[n-]2)cc1)NCc1ccc(O)c(O)c1	ZINC000823060890	607192022	/nfs/dbraw/zinc/19/20/22/607192022.db2.gz	NGTBIOUHRLJXEU-UHFFFAOYSA-N	-1	3	371.422	1.828	20	10		FDCDHM
O=C(CSCc1ccc(-c2nn[n-]n2)cc1)NCc1ccc(O)c(O)c1	ZINC000823060890	607192023	/nfs/dbraw/zinc/19/20/23/607192023.db2.gz	NGTBIOUHRLJXEU-UHFFFAOYSA-N	-1	3	371.422	1.828	20	10		FDCDHM
O=S(=O)(CCSc1nccs1)c1cccc(-c2nnn[n-]2)c1	ZINC000826485426	607817009	/nfs/dbraw/zinc/81/70/09/607817009.db2.gz	PZLMRXRECYTBCK-UHFFFAOYSA-N	-1	3	353.454	1.889	20	10		FDCDHM
O=S(=O)(CCSc1nccs1)c1cccc(-c2nn[n-]n2)c1	ZINC000826485426	607817010	/nfs/dbraw/zinc/81/70/10/607817010.db2.gz	PZLMRXRECYTBCK-UHFFFAOYSA-N	-1	3	353.454	1.889	20	10		FDCDHM
CC1(C)CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC(C)(C)O1	ZINC000277084390	674853082	/nfs/dbraw/zinc/85/30/82/674853082.db2.gz	KDRILELPOJQIQQ-UHFFFAOYSA-N	-1	3	356.444	1.793	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCC(F)(F)Br)c1	ZINC000286804451	675906797	/nfs/dbraw/zinc/90/67/97/675906797.db2.gz	SXIKQNRKHSYICS-UHFFFAOYSA-N	-1	3	373.175	1.481	20	10		FDCDHM
COC(=O)c1cc(S(=O)(=O)[N-]Cc2ccc(N(C)C)cc2)oc1C	ZINC000080252485	671457001	/nfs/dbraw/zinc/45/70/01/671457001.db2.gz	ZTUDKFUHLDPFER-UHFFFAOYSA-N	-1	3	352.412	1.919	20	10		FDCDHM
Cn1c(Cl)cnc1CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000116677559	671658290	/nfs/dbraw/zinc/65/82/90/671658290.db2.gz	LPJJGACAEPQQOY-UHFFFAOYSA-N	-1	3	358.807	1.081	20	10		FDCDHM
CC(=O)c1cc(F)cc(CN2CC[S@@](=O)C[C@@H]2c2cnn(C)c2)c1[O-]	ZINC000279389112	675287805	/nfs/dbraw/zinc/28/78/05/675287805.db2.gz	YOGBEKBSEXVSCX-PUAOIOHZSA-N	-1	3	365.430	1.773	20	10		FDCDHM
Cc1cccnc1CCCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000296458690	676418744	/nfs/dbraw/zinc/41/87/44/676418744.db2.gz	PABFCYITJKILEU-UHFFFAOYSA-N	-1	3	363.439	1.830	20	10		FDCDHM
CN(Cc1nccn1C(F)F)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000299102298	676516907	/nfs/dbraw/zinc/51/69/07/676516907.db2.gz	SONFORPVOXGUGN-UHFFFAOYSA-N	-1	3	374.369	1.628	20	10		FDCDHM
CS(=O)(=O)Nc1cccc2c1CCN(C(=O)c1cccc(O)c1[O-])C2	ZINC000363993873	676983920	/nfs/dbraw/zinc/98/39/20/676983920.db2.gz	LSBFHJYYNRBSOR-UHFFFAOYSA-N	-1	3	362.407	1.668	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCO[C@H](c3ccco3)C2)c1	ZINC000371891059	677801165	/nfs/dbraw/zinc/80/11/65/677801165.db2.gz	BRBARVGQUXDNHC-HNNXBMFYSA-N	-1	3	366.395	1.570	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC[C@@H](C3CCOCC3)C2)c1	ZINC000372203035	677866303	/nfs/dbraw/zinc/86/63/03/677866303.db2.gz	DJVVFLJDYXWTAZ-CYBMUJFWSA-N	-1	3	368.455	1.652	20	10		FDCDHM
CN1C(=O)[C@@H]2CN(Cc3cc(Br)ccc3[O-])CCN2C1=O	ZINC000375847373	678184078	/nfs/dbraw/zinc/18/40/78/678184078.db2.gz	LXQZNCNNUFBMTO-NSHDSACASA-N	-1	3	354.204	1.233	20	10		FDCDHM
O=S(=O)(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)[C@@H]1CCOC1	ZINC000378235478	678723906	/nfs/dbraw/zinc/72/39/06/678723906.db2.gz	RCIUJEVACWJRIV-LSDHHAIUSA-N	-1	3	374.890	1.718	20	10		FDCDHM
O=C1[N-]C(=O)C(=CNCc2ccc(N3CCOCC3)cc2)c2ccccc21	ZINC000067182211	810228796	/nfs/dbraw/zinc/22/87/96/810228796.db2.gz	FRRGBXQNTHKIGA-XMHGGMMESA-N	-1	3	363.417	1.924	20	10		FDCDHM
C[C@@H]1[C@@H](NC(=O)c2cn[n-]n2)CCN1C(=O)c1ccc(N=NC(N)=O)cc1	ZINC000988881794	837768230	/nfs/dbraw/zinc/76/82/30/837768230.db2.gz	VNRNMGYGIWLLMT-SKDRFNHKSA-N	-1	3	370.373	1.000	20	10		FDCDHM
CCN1CC[C@H]2OCCN(c3ccc(/C=C/C(=O)[O-])cc3[N+](=O)[O-])[C@H]2C1	ZINC000910384253	857153784	/nfs/dbraw/zinc/15/37/84/857153784.db2.gz	PBWXBAKFEBSNKK-JSYWMUGDSA-N	-1	3	361.398	1.992	20	10		FDCDHM
CS(=O)(=O)N[C@H]1CCCN(Cc2ccc(Br)cc2[O-])C1	ZINC000703130779	884472593	/nfs/dbraw/zinc/47/25/93/884472593.db2.gz	AEZALSRZGVDUJW-LBPRGKRZSA-N	-1	3	363.277	1.668	20	10		FDCDHM
O=C(NCc1c([O-])cccc1F)N[C@H]1CCCC[C@@H]1N1CCOCC1	ZINC000921493135	888035688	/nfs/dbraw/zinc/03/56/88/888035688.db2.gz	IPPAHWQRVIAHCX-HOTGVXAUSA-N	-1	3	351.422	1.974	20	10		FDCDHM
Cc1cc(CCNC(=O)c2[nH]c(=O)[n-]c(=O)c2N)c(C)n1-c1ccccc1	ZINC000746106417	927614298	/nfs/dbraw/zinc/61/42/98/927614298.db2.gz	RTBYRJBVLUFFTL-UHFFFAOYSA-N	-1	3	367.409	1.850	20	10		FDCDHM
O=C(NCc1ccc(N2CCCS2(=O)=O)cc1)c1cccc(O)c1[O-]	ZINC000790930718	933782366	/nfs/dbraw/zinc/78/23/66/933782366.db2.gz	HOKVYLNXDATRGI-UHFFFAOYSA-N	-1	3	362.407	1.568	20	10		FDCDHM
O=C(NCc1ccc(N2CCC(O)CC2)cc1)NCc1ncccc1[O-]	ZINC000823530675	945803322	/nfs/dbraw/zinc/80/33/22/945803322.db2.gz	KNGVDWIXFMTRLQ-UHFFFAOYSA-N	-1	3	356.426	1.748	20	10		FDCDHM
Nc1nn2c([n-]1)nc(CN1CCCc3cc(OC(F)F)ccc31)cc2=O	ZINC000856729108	971354437	/nfs/dbraw/zinc/35/44/37/971354437.db2.gz	PRVCMMNRSBVAJR-UHFFFAOYSA-N	-1	3	362.340	1.554	20	10		FDCDHM
O=S(=O)([N-]Cc1cccc(O)c1O)c1ccc(Br)cn1	ZINC001196181369	971528113	/nfs/dbraw/zinc/52/81/13/971528113.db2.gz	AKTSOXUYHDZQPR-UHFFFAOYSA-N	-1	3	359.201	1.734	20	10		FDCDHM
O=S(=O)([N-]Cc1cccc(O)c1O)c1cccc(Br)n1	ZINC001196331699	971624115	/nfs/dbraw/zinc/62/41/15/971624115.db2.gz	RBAICRRILSLRBK-UHFFFAOYSA-N	-1	3	359.201	1.734	20	10		FDCDHM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCSc2nccs2)nc1	ZINC000845858614	950025423	/nfs/dbraw/zinc/02/54/23/950025423.db2.gz	VZJVDOQMBLJNBK-UHFFFAOYSA-N	-1	3	360.442	1.907	20	10		FDCDHM
O=C(c1cccc(O)c1[O-])N(Cc1noc2c1CNCC2)c1ncccn1	ZINC001148212163	952647136	/nfs/dbraw/zinc/64/71/36/952647136.db2.gz	PDRSUFFPGCPBGC-UHFFFAOYSA-N	-1	3	367.365	1.369	20	10		FDCDHM
C[C@H]1CCCN1C(=O)c1n[nH]c2c1CN(C(=O)c1cccc(O)c1[O-])CC2	ZINC001148213508	952648313	/nfs/dbraw/zinc/64/83/13/952648313.db2.gz	DLPFXROEHOLDOW-NSHDSACASA-N	-1	3	370.409	1.644	20	10		FDCDHM
O=C(c1cc(O)c([O-])c(O)c1)N1C[C@@H]2C(=O)N(c3ccsc3)C[C@@H]2C1	ZINC001148584280	952757623	/nfs/dbraw/zinc/75/76/23/952757623.db2.gz	QTJPTJFKMZIMLE-JQWIXIFHSA-N	-1	3	360.391	1.600	20	10		FDCDHM
COC(=O)C1CN(c2ccc(NC(=O)c3cc(O)c([O-])c(O)c3)cc2)C1	ZINC001148586732	952759316	/nfs/dbraw/zinc/75/93/16/952759316.db2.gz	VWHBXFKWLCSRQW-UHFFFAOYSA-N	-1	3	358.350	1.665	20	10		FDCDHM
COc1cccc(O)c1CN[C@@H]1CCN([C@@H](C(=O)[O-])c2ccccc2)C1=O	ZINC001594131880	958683564	/nfs/dbraw/zinc/68/35/64/958683564.db2.gz	SVCRPMOWDDAJQA-CRAIPNDOSA-N	-1	3	370.405	1.917	20	10		FDCDHM
CC1(C)CCC[C@@](CO)(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1	ZINC000862846624	972399829	/nfs/dbraw/zinc/39/98/29/972399829.db2.gz	LRTGKMYMOBTTGS-QGZVFWFLSA-N	-1	3	370.471	1.825	20	10		FDCDHM
CN(C)c1ccc([C@@H](CNC(=O)NCCCCC(=O)[O-])N(C)C)cc1	ZINC001339928358	962087270	/nfs/dbraw/zinc/08/72/70/962087270.db2.gz	YMTVLVBWRCAAEH-MRXNPFEDSA-N	-1	3	350.463	1.909	20	10		FDCDHM
COc1c([O-])c(C[NH2+][C@@H]2CCN(c3cc(=O)[n-]cn3)C2)ccc1[N+](=O)[O-]	ZINC001184187321	963468777	/nfs/dbraw/zinc/46/87/77/963468777.db2.gz	DUISPKQYAHAHAC-LLVKDONJSA-N	-1	3	361.358	1.173	20	10		FDCDHM
COc1cc(CN(C)C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])sn1	ZINC001179136955	964737917	/nfs/dbraw/zinc/73/79/17/964737917.db2.gz	IGUJUQNPPVFUGR-UHFFFAOYSA-N	-1	3	371.440	1.501	20	10		FDCDHM
C[C@@H]1CN(Cc2cc(F)c(F)cc2[O-])CCN1c1nccn2cnnc12	ZINC001179980844	965051318	/nfs/dbraw/zinc/05/13/18/965051318.db2.gz	SIBYBFPUXNKXRY-LLVKDONJSA-N	-1	3	360.368	1.819	20	10		FDCDHM
CCOC(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1ccc(O)c([O-])c1Cl	ZINC001193253861	969581483	/nfs/dbraw/zinc/58/14/83/969581483.db2.gz	BWWGAWJSEVGKOB-JTQLQIEISA-N	-1	3	353.762	1.379	20	10		FDCDHM
C[C@H]1COC2(CCC2)CN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000855519779	970460479	/nfs/dbraw/zinc/46/04/79/970460479.db2.gz	ZGPFLXIQKIQOAR-NSHDSACASA-N	-1	3	354.428	1.547	20	10		FDCDHM
CNS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1	ZINC000797432651	972840858	/nfs/dbraw/zinc/84/08/58/972840858.db2.gz	MMNSJTQTOCVBBO-UHFFFAOYSA-N	-1	3	373.431	1.811	20	10		FDCDHM
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1cc(CO)on1	ZINC000866764070	976010531	/nfs/dbraw/zinc/01/05/31/976010531.db2.gz	KVGWEOHODAGOBR-CYBMUJFWSA-N	-1	3	365.817	1.920	20	10		FDCDHM
CCS(=O)(CC)=NS(=O)(=O)[N-]CCCSc1nccs1	ZINC000866782276	976039709	/nfs/dbraw/zinc/03/97/09/976039709.db2.gz	SAZAYLVALNVXNI-UHFFFAOYSA-N	-1	3	357.548	1.968	20	10		FDCDHM
CCCNC(=O)CN1CCC([NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2[O-])CC1	ZINC001595921355	983031113	/nfs/dbraw/zinc/03/11/13/983031113.db2.gz	DHYLQICDVPRUEY-ZDUSSCGKSA-N	-1	3	363.458	1.732	20	10		FDCDHM
CCCNC(=O)CN1CCC([NH2+][C@H](C)c2cc(C(=O)[O-])ccc2[O-])CC1	ZINC001595921353	983031500	/nfs/dbraw/zinc/03/15/00/983031500.db2.gz	DHYLQICDVPRUEY-CYBMUJFWSA-N	-1	3	363.458	1.732	20	10		FDCDHM
CNS(=O)(=O)C[C@@H]1CCCN(Cc2cc(Cl)cc(F)c2[O-])C1	ZINC000862551255	984410271	/nfs/dbraw/zinc/41/02/71/984410271.db2.gz	KMGJNMWUFRAGQY-SNVBAGLBSA-N	-1	3	350.843	1.946	20	10		FDCDHM
O=C(c1cccc(O)c1[O-])N1CCN2C(=O)N(c3ccccc3)C(=O)[C@H]2C1	ZINC000365759512	988054915	/nfs/dbraw/zinc/05/49/15/988054915.db2.gz	TZWMWBMLVFDKST-CQSZACIVSA-N	-1	3	367.361	1.391	20	10		FDCDHM
CCCn1nc2c(cc1=O)CN(Cc1ccc([N+](=O)[O-])c(OC)c1[O-])CC2	ZINC000365824298	988116059	/nfs/dbraw/zinc/11/60/59/988116059.db2.gz	NHBDFNCHRLLWPI-UHFFFAOYSA-N	-1	3	374.397	1.834	20	10		FDCDHM
COC(=O)c1cn([C@@H]2CCN(Cc3cc(F)cc(C(C)=O)c3[O-])C2)nn1	ZINC000363907260	989458011	/nfs/dbraw/zinc/45/80/11/989458011.db2.gz	JBQJGPWXZAAMES-CYBMUJFWSA-N	-1	3	362.361	1.559	20	10		FDCDHM
COC(=O)c1cn(C2CCN(Cc3ccc(F)c(F)c3[O-])CC2)nn1	ZINC000877346266	993234913	/nfs/dbraw/zinc/23/49/13/993234913.db2.gz	QLEPJJKUJHPNRJ-UHFFFAOYSA-N	-1	3	352.341	1.886	20	10		FDCDHM
CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C=Cc1ccc(O)c(O)c1	ZINC000825971700	993305907	/nfs/dbraw/zinc/30/59/07/993305907.db2.gz	MLJCNOLINMJPLY-SOFGYWHQSA-N	-1	3	351.366	1.950	20	10		FDCDHM
CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C=Cc1ccc(O)c(O)c1	ZINC000825971700	993305916	/nfs/dbraw/zinc/30/59/16/993305916.db2.gz	MLJCNOLINMJPLY-SOFGYWHQSA-N	-1	3	351.366	1.950	20	10		FDCDHM
C[C@@H]([NH2+]CC1(N2CCOCC2)CCOCC1)c1cc(C(=O)[O-])ccc1[O-]	ZINC001593248200	994469789	/nfs/dbraw/zinc/46/97/89/994469789.db2.gz	JYMFPJWERALBDD-CQSZACIVSA-N	-1	3	364.442	1.622	20	10		FDCDHM
COC(=O)CN(CCN1CCOCC1)Cc1cc(F)cc(C(C)=O)c1[O-]	ZINC000267448338	999338710	/nfs/dbraw/zinc/33/87/10/999338710.db2.gz	LEVVSYUVJUHUFT-UHFFFAOYSA-N	-1	3	368.405	1.041	20	10		FDCDHM
O=C(NCc1c([O-])cccc1F)c1ccc(S(=O)(=O)N2CCCC2)o1	ZINC000928711917	1001633413	/nfs/dbraw/zinc/63/34/13/1001633413.db2.gz	LXPOPXVMDQABAL-UHFFFAOYSA-N	-1	3	368.386	1.839	20	10		FDCDHM
Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NCc1ccc(O)c(O)c1	ZINC000778916513	1006999996	/nfs/dbraw/zinc/99/99/96/1006999996.db2.gz	JYJLOERVJRXROT-UHFFFAOYSA-N	-1	3	354.366	1.893	20	10		FDCDHM
Cc1cc(Cl)cc(CN2CCN(C(=O)N3CCNCC3)CC2)c1[O-]	ZINC000530243441	539919944	/nfs/dbraw/zinc/91/99/44/539919944.db2.gz	QZOTXSSXHLBRKL-UHFFFAOYSA-N	-1	3	352.866	1.497	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H](CCO)C2CCCCC2)c1	ZINC000271533189	674351492	/nfs/dbraw/zinc/35/14/92/674351492.db2.gz	XXLWXUSPTADRAM-OAHLLOKOSA-N	-1	3	370.471	1.825	20	10		FDCDHM
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc2n[n-]nc2c1	ZINC000047293640	522492651	/nfs/dbraw/zinc/49/26/51/522492651.db2.gz	ZGAFYHHHVVJHQZ-UHFFFAOYSA-N	-1	3	369.400	1.988	20	10		FDCDHM
COCCOCC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1	ZINC000158055177	524394108	/nfs/dbraw/zinc/39/41/08/524394108.db2.gz	PBMWMHXJMZRQRL-HNNXBMFYSA-N	-1	3	356.850	1.789	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)c1	ZINC000160615317	524928864	/nfs/dbraw/zinc/92/88/64/524928864.db2.gz	KMHHCPCOCFKCFF-HYVNUMGLSA-N	-1	3	358.419	1.832	20	10		FDCDHM
CCO[C@@H]1C[C@@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C12CCC2	ZINC000266452520	537203703	/nfs/dbraw/zinc/20/37/03/537203703.db2.gz	BZEGKVVNEFVDKS-HUUCEWRRSA-N	-1	3	368.455	1.841	20	10		FDCDHM
CN(CCN1CCN(c2ccccc2)CC1)C(=O)c1cccc(O)c1[O-]	ZINC000193082386	537239422	/nfs/dbraw/zinc/23/94/22/537239422.db2.gz	WNBPJJYYKQTYSW-UHFFFAOYSA-N	-1	3	355.438	1.992	20	10		FDCDHM
CN1C[C@@H](N2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)CCC1=O	ZINC000278088413	537628754	/nfs/dbraw/zinc/62/87/54/537628754.db2.gz	YMYHDTAKLWAALP-LBPRGKRZSA-N	-1	3	351.790	1.431	20	10		FDCDHM
CC(=O)c1cc(F)cc(CN2CCC[C@H](CN(C)S(C)(=O)=O)C2)c1[O-]	ZINC000285513695	537724257	/nfs/dbraw/zinc/72/42/57/537724257.db2.gz	GEQPFQGWKZFHAF-CYBMUJFWSA-N	-1	3	372.462	1.837	20	10		FDCDHM
CCOC(=O)NCC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1	ZINC000366478281	537767966	/nfs/dbraw/zinc/76/79/66/537767966.db2.gz	ISALTEYZTLSJDU-CQSZACIVSA-N	-1	3	369.849	1.872	20	10		FDCDHM
COc1ccnc(NC2CCN(C(=O)c3ccc(C)c(O)c3[O-])CC2)n1	ZINC000372728630	538012809	/nfs/dbraw/zinc/01/28/09/538012809.db2.gz	RYSSXHZTNLZRMI-UHFFFAOYSA-N	-1	3	358.398	1.922	20	10		FDCDHM
COc1ccc(O)c(CNC(=O)CNc2ccc(-c3nn[n-]n3)cc2)c1	ZINC000737106218	598921859	/nfs/dbraw/zinc/92/18/59/598921859.db2.gz	PURQRAVKEFRBIX-UHFFFAOYSA-N	-1	3	354.370	1.309	20	10		FDCDHM
O=S(=O)(NCc1ccccc1O)c1ccc(Cl)cc1-c1nnn[n-]1	ZINC000826492253	607625551	/nfs/dbraw/zinc/62/55/51/607625551.db2.gz	ZSFYXJFQZYAUBK-UHFFFAOYSA-N	-1	3	365.802	1.704	20	10		FDCDHM
O=S(=O)(NCc1ccccc1O)c1ccc(Cl)cc1-c1nn[n-]n1	ZINC000826492253	607625553	/nfs/dbraw/zinc/62/55/53/607625553.db2.gz	ZSFYXJFQZYAUBK-UHFFFAOYSA-N	-1	3	365.802	1.704	20	10		FDCDHM
C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1ccc(N2CCOCC2)cc1	ZINC000824516470	607708030	/nfs/dbraw/zinc/70/80/30/607708030.db2.gz	XKRAEHNXLKXKBV-GFCCVEGCSA-N	-1	3	367.413	1.522	20	10		FDCDHM
C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccc(N2CCOCC2)cc1	ZINC000824516470	607708032	/nfs/dbraw/zinc/70/80/32/607708032.db2.gz	XKRAEHNXLKXKBV-GFCCVEGCSA-N	-1	3	367.413	1.522	20	10		FDCDHM
NC(=O)[C@H]1CCCN(c2ccc(CN[C@@H](C(=O)[O-])c3cccnc3)cc2)C1	ZINC000833082060	604995067	/nfs/dbraw/zinc/99/50/67/604995067.db2.gz	ZNPUCZVVHGBASJ-FUHWJXTLSA-N	-1	3	368.437	1.699	20	10		FDCDHM
O=C([O-])NCCCOC1CC[NH+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1	ZINC000834237822	605501560	/nfs/dbraw/zinc/50/15/60/605501560.db2.gz	DMAFBRJXGKXWFK-INIZCTEOSA-N	-1	3	366.414	1.457	20	10		FDCDHM
C[C@@H]1C[C@H](CNC(=O)[O-])CN1CC(=O)N(C)Cc1ccc(N(C)C)cc1	ZINC000833832656	605904420	/nfs/dbraw/zinc/90/44/20/605904420.db2.gz	UMVDSNUQBZTUSD-GDBMZVCRSA-N	-1	3	362.474	1.689	20	10		FDCDHM
C[C@@H](NC(=O)[O-])[C@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2)CCO1	ZINC000833818798	605994452	/nfs/dbraw/zinc/99/44/52/605994452.db2.gz	MIFNFUOEBJSHBC-CRAIPNDOSA-N	-1	3	362.474	1.295	20	10		FDCDHM
Cc1cc(C(=O)N(C)C[C@H](C)O)c(C)n1-c1ccc(-c2nn[n-]n2)cc1	ZINC000822167550	606689101	/nfs/dbraw/zinc/68/91/01/606689101.db2.gz	FMWCSULJPUGOSW-LBPRGKRZSA-N	-1	3	354.414	1.727	20	10		FDCDHM
COc1ccc(-c2nn[n-]n2)cc1NC(=O)NCCc1ccc(O)c(O)c1	ZINC000821762426	606770894	/nfs/dbraw/zinc/77/08/94/606770894.db2.gz	LDLWSGOEZSICRU-UHFFFAOYSA-N	-1	3	370.369	1.651	20	10		FDCDHM
Cc1cc(C(=O)N=c2nc[nH]n2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1	ZINC000822183928	606819184	/nfs/dbraw/zinc/81/91/84/606819184.db2.gz	MDOXMBKLNGWULQ-UHFFFAOYSA-N	-1	3	363.385	1.077	20	10		FDCDHM
Cc1cc(C(=O)N(C)[C@H](C)C(N)=O)c(C)n1-c1ccc(-c2nn[n-]n2)cc1	ZINC000826256964	608278998	/nfs/dbraw/zinc/27/89/98/608278998.db2.gz	IKABVAKBMNRQRI-GFCCVEGCSA-N	-1	3	367.413	1.220	20	10		FDCDHM
Cc1nnc([C@H](C)NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])s1	ZINC000274227745	674588050	/nfs/dbraw/zinc/58/80/50/674588050.db2.gz	POKSPAKLRCZZCS-ZETCQYMHSA-N	-1	3	356.429	1.415	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCOC[C@@H](C3CCC3)C2)c1	ZINC000293613241	676357752	/nfs/dbraw/zinc/35/77/52/676357752.db2.gz	CUUKSDXRTKNVGL-ZDUSSCGKSA-N	-1	3	368.455	1.652	20	10		FDCDHM
CC(C)[C@]1(CO)CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1	ZINC000367931822	677496755	/nfs/dbraw/zinc/49/67/55/677496755.db2.gz	YJZIMMBOVRBVFF-MRXNPFEDSA-N	-1	3	356.444	1.244	20	10		FDCDHM
O=S(=O)(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)[C@H]1CCOC1	ZINC000378235474	678724051	/nfs/dbraw/zinc/72/40/51/678724051.db2.gz	RCIUJEVACWJRIV-GJZGRUSLSA-N	-1	3	374.890	1.718	20	10		FDCDHM
COc1ccc([C@H](CNC(=O)c2cccc(O)c2[O-])N2CCOCC2)cc1	ZINC000274884975	770953989	/nfs/dbraw/zinc/95/39/89/770953989.db2.gz	JTJHRNULDPTZMK-KRWDZBQOSA-N	-1	3	372.421	1.910	20	10		FDCDHM
O=C(CNC(=O)c1cccc(O)c1[O-])N1CCN(Cc2ccccc2)CC1	ZINC000274990186	771014696	/nfs/dbraw/zinc/01/46/96/771014696.db2.gz	RHNPYXYGEYYZLB-UHFFFAOYSA-N	-1	3	369.421	1.172	20	10		FDCDHM
O=C1NC(=O)[C@]2(CCCN(Cc3cc(Br)cc(F)c3[O-])C2)N1	ZINC000894596368	818237864	/nfs/dbraw/zinc/23/78/64/818237864.db2.gz	XBWMRPDELRZZLO-CQSZACIVSA-N	-1	3	372.194	1.468	20	10		FDCDHM
CS(=O)(=O)C[C@@H]1CN(Cc2cc(Br)ccc2[O-])CCO1	ZINC000897596302	839873901	/nfs/dbraw/zinc/87/39/01/839873901.db2.gz	TXPNWMKDBUEBKT-LBPRGKRZSA-N	-1	3	364.261	1.400	20	10		FDCDHM
CN1CCN(c2ccc(CNC(=O)NCc3c([O-])cccc3F)cn2)CC1	ZINC000913983488	870220475	/nfs/dbraw/zinc/22/04/75/870220475.db2.gz	NNCWMBWPPYLWFJ-UHFFFAOYSA-N	-1	3	373.432	1.678	20	10		FDCDHM
O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccccc1[O-]	ZINC000918335109	884319195	/nfs/dbraw/zinc/31/91/95/884319195.db2.gz	LXOKNHLFENYJEU-UHFFFAOYSA-N	-1	3	360.435	1.557	20	10		FDCDHM
C[C@@H](NC(=O)c1cc(=O)[n-]c(N(C)C)n1)c1ccc(N2CCOCC2)cc1	ZINC000765250907	906617335	/nfs/dbraw/zinc/61/73/35/906617335.db2.gz	HSJBBHQGTRYHGS-CYBMUJFWSA-N	-1	3	371.441	1.576	20	10		FDCDHM
COCCc1noc(CN(CC(=O)OC)Cc2cc(Cl)ccc2[O-])n1	ZINC000731844390	918669828	/nfs/dbraw/zinc/66/98/28/918669828.db2.gz	ABTSZBDRQRGDNG-UHFFFAOYSA-N	-1	3	369.805	1.793	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC[C@@H](O)c2ccsc2)c1	ZINC000740127443	925345216	/nfs/dbraw/zinc/34/52/16/925345216.db2.gz	PIAILYMSUQEIAD-CYBMUJFWSA-N	-1	3	356.425	1.289	20	10		FDCDHM
CC(C)[C@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCS1	ZINC000743788073	926462374	/nfs/dbraw/zinc/46/23/74/926462374.db2.gz	YQZVJXFAANNFJY-CQSZACIVSA-N	-1	3	358.485	1.977	20	10		FDCDHM
O=C(CC1(N2CCOCC2)CCCC1)OCC(=O)c1ccc([O-])c(O)c1	ZINC000786096785	931747536	/nfs/dbraw/zinc/74/75/36/931747536.db2.gz	RKLDIPRCYLNYHU-UHFFFAOYSA-N	-1	3	363.410	1.859	20	10		FDCDHM
COC(=O)[C@H](NCc1cc(Br)ccc1[O-])c1ccn(C)n1	ZINC000787438394	932285062	/nfs/dbraw/zinc/28/50/62/932285062.db2.gz	QGJNAPKATLDLLC-CYBMUJFWSA-N	-1	3	354.204	1.892	20	10		FDCDHM
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3cccc(O)c3[O-])cc2)C1	ZINC000790562667	933603190	/nfs/dbraw/zinc/60/31/90/933603190.db2.gz	ZVBKVOGCNIVOAE-CQSZACIVSA-N	-1	3	369.421	1.730	20	10		FDCDHM
COc1ccc(N2CCN(CCNC(=O)c3cccc(O)c3[O-])CC2)cc1	ZINC000790707854	933695101	/nfs/dbraw/zinc/69/51/01/933695101.db2.gz	QBFZSCCRSGSIQG-UHFFFAOYSA-N	-1	3	371.437	1.658	20	10		FDCDHM
Cc1cc(CNC(=O)c2[nH]c(=O)[n-]c(=O)c2N)c(C)n1-c1ccccc1	ZINC001132047933	940950813	/nfs/dbraw/zinc/95/08/13/940950813.db2.gz	CJFMXDHVBLGBIC-UHFFFAOYSA-N	-1	3	353.382	1.808	20	10		FDCDHM
C[C@H](O)c1cn(C2CN(Cc3ccc(Br)cc3[O-])C2)nn1	ZINC000825460969	947259937	/nfs/dbraw/zinc/25/99/37/947259937.db2.gz	CTRRJZXPOLFRMJ-VIFPVBQESA-N	-1	3	353.220	1.856	20	10		FDCDHM
COc1ccc2c(c1)C[C@@H](C(C)C)CN2Cc1cc(=O)n2nc(N)[n-]c2n1	ZINC000856747639	971371747	/nfs/dbraw/zinc/37/17/47/971371747.db2.gz	VOXPQWUXIZZZDU-CYBMUJFWSA-N	-1	3	368.441	1.843	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H]2[C@H]2CCCOC2)c1	ZINC000843926218	947476530	/nfs/dbraw/zinc/47/65/30/947476530.db2.gz	JZKYFVQTWVLXFK-WFASDCNBSA-N	-1	3	368.455	1.795	20	10		FDCDHM
C[C@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC2(CCCC2)O1	ZINC000844113224	947765118	/nfs/dbraw/zinc/76/51/18/947765118.db2.gz	DLOTVPQJRABLQC-LBPRGKRZSA-N	-1	3	368.455	1.937	20	10		FDCDHM
NC(=O)c1cc(=O)cc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])o1	ZINC001196202950	971539157	/nfs/dbraw/zinc/53/91/57/971539157.db2.gz	LCNDUPVZHNRAFQ-UHFFFAOYSA-N	-1	3	373.752	1.576	20	10		FDCDHM
O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1snnc1CO	ZINC001196366143	971669964	/nfs/dbraw/zinc/66/99/64/971669964.db2.gz	XIRGSYPLPXDKBK-UHFFFAOYSA-N	-1	3	350.787	1.868	20	10		FDCDHM
CC1(C)[C@H]2[C@H](CCCN2C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])[C@@H]1O	ZINC001171285383	952204210	/nfs/dbraw/zinc/20/42/10/952204210.db2.gz	YZPLFHYHRMQIAS-GLQYFDAESA-N	-1	3	368.455	1.385	20	10		FDCDHM
COc1ccc(N2CC[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)cn3)C2)cc1	ZINC001146950968	952261075	/nfs/dbraw/zinc/26/10/75/952261075.db2.gz	OLSCBSVWRDRKRC-CYBMUJFWSA-N	-1	3	365.397	1.279	20	10		FDCDHM
COc1ccc(N2CC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)cn3)C2)cc1	ZINC001146950968	952261078	/nfs/dbraw/zinc/26/10/78/952261078.db2.gz	OLSCBSVWRDRKRC-CYBMUJFWSA-N	-1	3	365.397	1.279	20	10		FDCDHM
O=C(c1cc(O)c([O-])c(O)c1)N1CCN(c2nc3ccccc3[nH]2)CC1	ZINC001148588106	952760070	/nfs/dbraw/zinc/76/00/70/952760070.db2.gz	OCNWTPZDKZABID-UHFFFAOYSA-N	-1	3	354.366	1.642	20	10		FDCDHM
CC(C)(C)NC(=O)O[C@@H]1CC[C@@H](NC(=O)c2cc(O)c([O-])c(O)c2)C1	ZINC001148591114	952761192	/nfs/dbraw/zinc/76/11/92/952761192.db2.gz	UZKCLAFZIKIKIL-GHMZBOCLSA-N	-1	3	352.387	1.979	20	10		FDCDHM
O=C(NCc1c([O-])cccc1F)[C@H](O)[C@@](O)(c1ccccc1)C(F)(F)F	ZINC001178412607	964227538	/nfs/dbraw/zinc/22/75/38/964227538.db2.gz	BKGKSXXNFCKLNH-HOCLYGCPSA-N	-1	3	373.302	1.959	20	10		FDCDHM
COc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2)cc1C(=O)N(C)C	ZINC000776745262	968940465	/nfs/dbraw/zinc/94/04/65/968940465.db2.gz	HMBZIIOLFZLKLB-UHFFFAOYSA-N	-1	3	350.396	1.903	20	10		FDCDHM
Cc1n[nH]c(C)c1CCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000854868377	970004135	/nfs/dbraw/zinc/00/41/35/970004135.db2.gz	ZVPRCGGWYBBYLI-UHFFFAOYSA-N	-1	3	352.416	1.076	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC[C@@H](c3nccs3)C2)c1	ZINC000881697571	980064329	/nfs/dbraw/zinc/06/43/29/980064329.db2.gz	LGIZYQXAWGVTBA-SNVBAGLBSA-N	-1	3	367.452	1.850	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC[C@@H]2CCc3cccnc32)c1	ZINC000857969211	981771795	/nfs/dbraw/zinc/77/17/95/981771795.db2.gz	VVMXBCOGURMXJZ-LBPRGKRZSA-N	-1	3	361.423	1.619	20	10		FDCDHM
Cn1cc(N2CCN(Cc3c([O-])cccc3Br)CC2=O)cn1	ZINC000862246599	984279978	/nfs/dbraw/zinc/27/99/78/984279978.db2.gz	KWVSOMIFAKJGIZ-UHFFFAOYSA-N	-1	3	365.231	1.737	20	10		FDCDHM
C[S@@](=O)CCN1CCN(Cc2c([O-])cccc2Br)CC1	ZINC000862248107	984281737	/nfs/dbraw/zinc/28/17/37/984281737.db2.gz	HPBKKONEAXJTIE-HXUWFJFHSA-N	-1	3	361.305	1.651	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(-c3nn[nH]n3)cc2)c1	ZINC000362337877	988636857	/nfs/dbraw/zinc/63/68/57/988636857.db2.gz	YHNGBKPKIOPCMD-UHFFFAOYSA-N	-1	3	374.382	1.196	20	10		FDCDHM
[O-]c1c(F)cccc1CN1CCN(c2nnnn2-c2ccccc2)CC1	ZINC000374876976	992962293	/nfs/dbraw/zinc/96/22/93/992962293.db2.gz	DGSCWKILGBRUQY-UHFFFAOYSA-N	-1	3	354.389	1.829	20	10		FDCDHM
COCCn1nnc2c1CCN(Cc1ccc(Br)cc1[O-])C2	ZINC000826012976	993624055	/nfs/dbraw/zinc/62/40/55/993624055.db2.gz	RVQLEZJHUZFTBC-UHFFFAOYSA-N	-1	3	367.247	1.951	20	10		FDCDHM
CN1CCN(CC[N@H+](CC(=O)[O-])Cc2c([O-])ccc(Cl)c2F)CC1	ZINC001598617233	993909749	/nfs/dbraw/zinc/90/97/49/993909749.db2.gz	PSHZWEMQCBFGEB-UHFFFAOYSA-N	-1	3	359.829	1.319	20	10		FDCDHM
CN1CCN(CC[N@@H+](CC(=O)[O-])Cc2c([O-])ccc(Cl)c2F)CC1	ZINC001598617233	993909760	/nfs/dbraw/zinc/90/97/60/993909760.db2.gz	PSHZWEMQCBFGEB-UHFFFAOYSA-N	-1	3	359.829	1.319	20	10		FDCDHM
C[C@H]([NH2+]C1CCN(CCS(C)(=O)=O)CC1)c1cc(C(=O)[O-])ccc1[O-]	ZINC001593218858	994292190	/nfs/dbraw/zinc/29/21/90/994292190.db2.gz	LFDMSRZXUWQFDL-LBPRGKRZSA-N	-1	3	370.471	1.250	20	10		FDCDHM
Cc1oc(C(=O)NCc2c([O-])cccc2F)cc1S(=O)(=O)N(C)C	ZINC000928706527	1001632108	/nfs/dbraw/zinc/63/21/08/1001632108.db2.gz	VVZJVNJITQGDOI-UHFFFAOYSA-N	-1	3	356.375	1.613	20	10		FDCDHM
CC(C)(C)OC(=O)N1C[C@H](O)C[C@@]1(C)C(=O)NCc1c([O-])cccc1F	ZINC000928712782	1001633535	/nfs/dbraw/zinc/63/35/35/1001633535.db2.gz	UVIRITFYQZRYFY-ZMZPIMSZSA-N	-1	3	368.405	1.908	20	10		FDCDHM
C[C@@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])Cn1ccnc1	ZINC000271354377	674336113	/nfs/dbraw/zinc/33/61/13/674336113.db2.gz	HXBIXMHXNQXNKS-NSHDSACASA-N	-1	3	352.416	1.026	20	10		FDCDHM
Cc1nc(C)c(CCC(=O)N2CCOc3cc(N(C)C)ccc32)c(=O)[n-]1	ZINC000173207033	524345644	/nfs/dbraw/zinc/34/56/44/524345644.db2.gz	NEOVSPKITZUARG-UHFFFAOYSA-N	-1	3	356.426	1.811	20	10		FDCDHM
CCN(Cc1cc(Br)ccc1[O-])[C@@H](C)C(=O)NC(=O)NC	ZINC000174425370	524573306	/nfs/dbraw/zinc/57/33/06/524573306.db2.gz	LSZMRHDRAKFJJS-VIFPVBQESA-N	-1	3	358.236	1.821	20	10		FDCDHM
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)[C@@H]1CCNC(=O)C1	ZINC000152671218	524968136	/nfs/dbraw/zinc/96/81/36/524968136.db2.gz	VHSSIJJIHJMURR-DOMZBBRYSA-N	-1	3	365.861	1.652	20	10		FDCDHM
C[C@@H](c1ccccc1)N(CC(=O)N1CCNC(=O)C1)Cc1ccccc1[O-]	ZINC000176685572	525165059	/nfs/dbraw/zinc/16/50/59/525165059.db2.gz	ZGSFWLYSROERNL-INIZCTEOSA-N	-1	3	367.449	1.914	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCC2(CCO)CCCC2)c1	ZINC000268616783	537015948	/nfs/dbraw/zinc/01/59/48/537015948.db2.gz	SUSXHEROXFEISH-UHFFFAOYSA-N	-1	3	356.444	1.436	20	10		FDCDHM
Cc1cc(C[C@@H](C)NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])[nH]n1	ZINC000269082558	537018916	/nfs/dbraw/zinc/01/89/16/537018916.db2.gz	XRTZSROBLKUBPK-SECBINFHSA-N	-1	3	352.416	1.156	20	10		FDCDHM
CC[C@H](C(=O)OC)C(=O)N(CC(=O)OC)Cc1cc(Cl)ccc1[O-]	ZINC000298746391	537296137	/nfs/dbraw/zinc/29/61/37/537296137.db2.gz	YGMGTIIOSKHEGH-LBPRGKRZSA-N	-1	3	357.790	1.746	20	10		FDCDHM
Cc1noc(C(C)(C)NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])n1	ZINC000285836674	537328533	/nfs/dbraw/zinc/32/85/33/537328533.db2.gz	ZDKCXMZPOBQNEX-UHFFFAOYSA-N	-1	3	354.388	1.120	20	10		FDCDHM
C[C@H](O)C[C@H]1CCCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000279587978	537350693	/nfs/dbraw/zinc/35/06/93/537350693.db2.gz	FIIHXRMHUHUUBT-WCQYABFASA-N	-1	3	356.444	1.529	20	10		FDCDHM
OC1CCN(c2ccc(CNCc3ccc(-c4nnn[n-]4)o3)cc2F)CC1	ZINC000823704456	599415159	/nfs/dbraw/zinc/41/51/59/599415159.db2.gz	BAJYSHBOOJTSGZ-UHFFFAOYSA-N	-1	3	372.404	1.850	20	10		FDCDHM
COc1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])cc1-c1nnn[n-]1	ZINC000821818309	599423001	/nfs/dbraw/zinc/42/30/01/599423001.db2.gz	OSCUOVOQHWLCJJ-UHFFFAOYSA-N	-1	3	356.342	1.779	20	10		FDCDHM
COc1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])cc1-c1nn[n-]n1	ZINC000821818309	599423003	/nfs/dbraw/zinc/42/30/03/599423003.db2.gz	OSCUOVOQHWLCJJ-UHFFFAOYSA-N	-1	3	356.342	1.779	20	10		FDCDHM
CN(C)c1ccc(CN(C)C(=O)CN(C)C2CCN(C(=O)[O-])CC2)cc1	ZINC000828354769	604170432	/nfs/dbraw/zinc/17/04/32/604170432.db2.gz	CRNQXHSXZHMDEA-UHFFFAOYSA-N	-1	3	362.474	1.785	20	10		FDCDHM
O=C([O-])N1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3cc(F)ccc3[O-])C2)CC1	ZINC000834115977	605564687	/nfs/dbraw/zinc/56/46/87/605564687.db2.gz	OUCLKDKHIJFHOL-CYBMUJFWSA-N	-1	3	365.405	1.566	20	10		FDCDHM
O=C([O-])N1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3cc(F)ccc3[O-])C2)CC1	ZINC000834115977	605564693	/nfs/dbraw/zinc/56/46/93/605564693.db2.gz	OUCLKDKHIJFHOL-CYBMUJFWSA-N	-1	3	365.405	1.566	20	10		FDCDHM
COC(=O)[C@@H](C)NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C	ZINC000821665914	606759944	/nfs/dbraw/zinc/75/99/44/606759944.db2.gz	KKXGIGBZYHABOP-LLVKDONJSA-N	-1	3	368.397	1.566	20	10		FDCDHM
CN(CC(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1ccc2c(c1)OCO2	ZINC000825892522	607927238	/nfs/dbraw/zinc/92/72/38/607927238.db2.gz	NUYBOCHGUUFWRN-UHFFFAOYSA-N	-1	3	366.381	1.348	20	10		FDCDHM
CN(CC(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1ccc2c(c1)OCO2	ZINC000825892522	607927239	/nfs/dbraw/zinc/92/72/39/607927239.db2.gz	NUYBOCHGUUFWRN-UHFFFAOYSA-N	-1	3	366.381	1.348	20	10		FDCDHM
Cc1cc(C(=O)N2C[C@H](C)[C@H](O)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1	ZINC000826258019	608595968	/nfs/dbraw/zinc/59/59/68/608595968.db2.gz	XAMRZUIGFPLHRH-APPDUMDISA-N	-1	3	366.425	1.727	20	10		FDCDHM
O=C1N=C(N2CCOCC2)SC1=Cc1ccc(F)c(-c2nnn[n-]2)c1	ZINC000826481697	608878069	/nfs/dbraw/zinc/87/80/69/608878069.db2.gz	GBNPBHNRVOIGFS-WQLSENKSSA-N	-1	3	360.374	1.308	20	10		FDCDHM
O=C1N=C(N2CCOCC2)SC1=Cc1ccc(F)c(-c2nn[n-]n2)c1	ZINC000826481697	608878070	/nfs/dbraw/zinc/87/80/70/608878070.db2.gz	GBNPBHNRVOIGFS-WQLSENKSSA-N	-1	3	360.374	1.308	20	10		FDCDHM
CC(C)OC(=O)CCCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000274186907	674586473	/nfs/dbraw/zinc/58/64/73/674586473.db2.gz	FENUHGJQYUOBCE-UHFFFAOYSA-N	-1	3	358.416	1.225	20	10		FDCDHM
CCNC(=O)CN1CCN(Cc2cc(Br)ccc2[O-])CC1	ZINC000129155640	671784090	/nfs/dbraw/zinc/78/40/90/671784090.db2.gz	CGXLEDFJUIEXTK-UHFFFAOYSA-N	-1	3	356.264	1.408	20	10		FDCDHM
O=S(=O)([N-]Cc1ccc(N2CCC(CO)CC2)cc1)c1ccco1	ZINC000188707973	672297389	/nfs/dbraw/zinc/29/73/89/672297389.db2.gz	KHVZMUQZQVVUAU-UHFFFAOYSA-N	-1	3	350.440	1.967	20	10		FDCDHM
CCOCCNC(=O)CN(CC(=O)OC)Cc1cc(Cl)ccc1[O-]	ZINC000267833285	673333986	/nfs/dbraw/zinc/33/39/86/673333986.db2.gz	WYDGOJOLTXKGCN-UHFFFAOYSA-N	-1	3	358.822	1.173	20	10		FDCDHM
CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)c2cccc(O)c2[O-])CCO1	ZINC000280545929	675434460	/nfs/dbraw/zinc/43/44/60/675434460.db2.gz	SXPLOTIVWMZYKW-NSHDSACASA-N	-1	3	352.387	1.464	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC[C@@H](c3ccco3)C2)c1	ZINC000363524426	676959617	/nfs/dbraw/zinc/95/96/17/676959617.db2.gz	UYUDDYSDQWIBAV-LLVKDONJSA-N	-1	3	350.396	1.986	20	10		FDCDHM
CS(=O)(=O)C[C@@H]1CN(Cc2ccc(Br)cc2[O-])CCO1	ZINC000897599066	839902922	/nfs/dbraw/zinc/90/29/22/839902922.db2.gz	LUQUSVBJSOUIJD-LBPRGKRZSA-N	-1	3	364.261	1.400	20	10		FDCDHM
[O-]c1cc(I)ccc1CN1CC[C@H](CO)[C@H](O)C1	ZINC001232975302	867206277	/nfs/dbraw/zinc/20/62/77/867206277.db2.gz	ZKXFVXAKWQOZQL-ZWNOBZJWSA-N	-1	3	363.195	1.172	20	10		FDCDHM
O=C(NCc1c([O-])cccc1F)N[C@H]1CCN(C2CCOCC2)C1=O	ZINC000921272236	887596727	/nfs/dbraw/zinc/59/67/27/887596727.db2.gz	LDLOXMBNDQFNCJ-AWEZNQCLSA-N	-1	3	351.378	1.110	20	10		FDCDHM
CC1(C)COc2c(S(=O)(=O)NCc3c([O-])cccc3F)cnn2C1	ZINC000921451153	888016102	/nfs/dbraw/zinc/01/61/02/888016102.db2.gz	KOCXJNXVDOLZQJ-UHFFFAOYSA-N	-1	3	355.391	1.625	20	10		FDCDHM
COC(=O)C1CCC(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1	ZINC000730286778	916478212	/nfs/dbraw/zinc/47/82/12/916478212.db2.gz	HYTMXYRKRPLZAW-UHFFFAOYSA-N	-1	3	370.427	1.225	20	10		FDCDHM
COC(=O)[C@@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])CC(C)C	ZINC000743630382	926420080	/nfs/dbraw/zinc/42/00/80/926420080.db2.gz	SGDOMDBRFHNJMF-LLVKDONJSA-N	-1	3	372.443	1.329	20	10		FDCDHM
Cc1ccn(C)c(=O)c1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000769962821	929758094	/nfs/dbraw/zinc/75/80/94/929758094.db2.gz	RQNXHQZECMOBHX-UHFFFAOYSA-N	-1	3	351.384	1.023	20	10		FDCDHM
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3cccc(O)c3[O-])cc2)C1	ZINC000790562665	933602893	/nfs/dbraw/zinc/60/28/93/933602893.db2.gz	ZVBKVOGCNIVOAE-AWEZNQCLSA-N	-1	3	369.421	1.730	20	10		FDCDHM
CCS(=O)(=O)N1CCC([C@@H](C)N(C)C(=O)c2cccc(O)c2[O-])CC1	ZINC000807914831	940495219	/nfs/dbraw/zinc/49/52/19/940495219.db2.gz	UBGBTDSLWSUNMU-GFCCVEGCSA-N	-1	3	370.471	1.620	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H]2[C@@H]2CCCOC2)c1	ZINC000843926215	947476486	/nfs/dbraw/zinc/47/64/86/947476486.db2.gz	JZKYFVQTWVLXFK-DOMZBBRYSA-N	-1	3	368.455	1.795	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCOC[C@@H]2C2CCC2)c1	ZINC000844038821	947642819	/nfs/dbraw/zinc/64/28/19/947642819.db2.gz	OYEIYXLJXXTCTP-CQSZACIVSA-N	-1	3	354.428	1.405	20	10		FDCDHM
CC[C@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])[C@@H](CC)CO1	ZINC000846375401	951010390	/nfs/dbraw/zinc/01/03/90/951010390.db2.gz	OXDUHFOTXMAFAO-STQMWFEESA-N	-1	3	356.444	1.793	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H]2c2ncccn2)c1	ZINC001148160790	952630714	/nfs/dbraw/zinc/63/07/14/952630714.db2.gz	PBSRMQPIHCREQO-CYBMUJFWSA-N	-1	3	362.411	1.531	20	10		FDCDHM
O=C(c1cccc(O)c1[O-])N1C[C@@H](C(=O)N2CCCC2)C[C@H]2OCC[C@H]21	ZINC001148213489	952647568	/nfs/dbraw/zinc/64/75/68/952647568.db2.gz	CQVZZVSUFZXQIC-JGGQBBKZSA-N	-1	3	360.410	1.340	20	10		FDCDHM
COC(=O)c1ccc(N(C(=O)c2cc(O)c([O-])c(O)c2)C2CC2)c(N)c1	ZINC001148585894	952759213	/nfs/dbraw/zinc/75/92/13/952759213.db2.gz	CVTWHJIBJXBLNC-UHFFFAOYSA-N	-1	3	358.350	1.981	20	10		FDCDHM
Cc1nn(CCNC(=O)c2cc(O)c([O-])c(O)c2)c(C)c1Br	ZINC001148589635	952760632	/nfs/dbraw/zinc/76/06/32/952760632.db2.gz	FNVIDCNOUMXRDZ-UHFFFAOYSA-N	-1	3	370.203	1.809	20	10		FDCDHM
O=C(NCC1(N2CCOCC2)CCCCC1)c1cc(O)c([O-])c(O)c1	ZINC001148589677	952760734	/nfs/dbraw/zinc/76/07/34/952760734.db2.gz	GOMLZLDXBGKSBL-UHFFFAOYSA-N	-1	3	350.415	1.568	20	10		FDCDHM
COc1cc(C)c(C[NH+]2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)c([O-])c1	ZINC001594054140	958011583	/nfs/dbraw/zinc/01/15/83/958011583.db2.gz	KEBJPGWOGOJQOR-CYBMUJFWSA-N	-1	3	362.426	1.607	20	10		FDCDHM
CO[C@@H]1CS(=O)(=O)C[C@@H]1NCc1cc(Br)cc(F)c1[O-]	ZINC000715813126	958480963	/nfs/dbraw/zinc/48/09/63/958480963.db2.gz	MCQUYWQITRLGCK-WDEREUQCSA-N	-1	3	368.224	1.195	20	10		FDCDHM
Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)NC3CN(C(C)C)C3)cc12	ZINC001184362936	963543484	/nfs/dbraw/zinc/54/34/84/963543484.db2.gz	XGASCRDJUSEJJR-UHFFFAOYSA-N	-1	3	373.453	1.448	20	10		FDCDHM
Cc1cc(C)c(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c(O)c1	ZINC001185628988	964014444	/nfs/dbraw/zinc/01/44/44/964014444.db2.gz	ZBWFMAQVTMDFKR-UHFFFAOYSA-N	-1	3	359.411	1.668	20	10		FDCDHM
Cc1cc(C)c(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c(O)c1	ZINC001185628988	964014452	/nfs/dbraw/zinc/01/44/52/964014452.db2.gz	ZBWFMAQVTMDFKR-UHFFFAOYSA-N	-1	3	359.411	1.668	20	10		FDCDHM
CCOC(=O)[C@@H]1c2n[nH]cc2CCN1C(=O)c1ccc([O-])c(O)c1Cl	ZINC001193232950	969563373	/nfs/dbraw/zinc/56/33/73/969563373.db2.gz	RPIJZMBLOKPLDH-ZDUSSCGKSA-N	-1	3	365.773	1.777	20	10		FDCDHM
CN(C)c1ccc([C@@H](CNC(=O)NCC2(C(=O)[O-])CCC2)N(C)C)cc1	ZINC001340567015	969744678	/nfs/dbraw/zinc/74/46/78/969744678.db2.gz	MBYWMKIIMWNVNM-MRXNPFEDSA-N	-1	3	362.474	1.909	20	10		FDCDHM
COCc1csc(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1	ZINC000855779500	970675821	/nfs/dbraw/zinc/67/58/21/970675821.db2.gz	UIWGLFPJWOMSKM-UHFFFAOYSA-N	-1	3	370.452	1.902	20	10		FDCDHM
CCC1(N2CCOCC2)CCN(C(=O)c2c(F)ccc(O)c2[O-])CC1	ZINC000863943003	973305583	/nfs/dbraw/zinc/30/55/83/973305583.db2.gz	JWRZEWYUVYUQJX-UHFFFAOYSA-N	-1	3	352.406	1.954	20	10		FDCDHM
COc1cccc(CN[C@H]2CCN([C@H](C(=O)[O-])c3ccccc3)C2=O)c1O	ZINC001604866748	974116330	/nfs/dbraw/zinc/11/63/30/974116330.db2.gz	SEMRIPDCJMLGIQ-RDJZCZTQSA-N	-1	3	370.405	1.917	20	10		FDCDHM
COC(=O)CCCS(=O)(=O)NCc1cc(Cl)c2cccnc2c1[O-]	ZINC001201919803	975205198	/nfs/dbraw/zinc/20/51/98/975205198.db2.gz	YTOFXVIFUJJTIL-UHFFFAOYSA-N	-1	3	372.830	1.966	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C2CC2)[C@H]2CCCCO2)c1	ZINC000848267923	976551686	/nfs/dbraw/zinc/55/16/86/976551686.db2.gz	WZQACZIESFPNLD-CVEARBPZSA-N	-1	3	368.455	1.841	20	10		FDCDHM
O=C([O-])c1cnn2c1[nH]c(CN1CCC([C@@H]3CCCCO3)CC1)cc2=O	ZINC000849346143	977444639	/nfs/dbraw/zinc/44/46/39/977444639.db2.gz	PNDDDQOCOSGRHM-HNNXBMFYSA-N	-1	3	360.414	1.914	20	10		FDCDHM
NC(=O)C1=NO[C@H](CNCc2cc(Cl)cc(Br)c2[O-])C1	ZINC000883105063	981948983	/nfs/dbraw/zinc/94/89/83/981948983.db2.gz	WUXIGSJQVAXUQR-QMMMGPOBSA-N	-1	3	362.611	1.528	20	10		FDCDHM
CNS(=O)(=O)C[C@H]1CCCN(Cc2c([O-])ccc(Cl)c2F)C1	ZINC000862550205	984409519	/nfs/dbraw/zinc/40/95/19/984409519.db2.gz	CNESYRNHWCYNSE-JTQLQIEISA-N	-1	3	350.843	1.946	20	10		FDCDHM
Cc1nccc(CN2CCC[C@@H](NC(=O)c3cccc(O)c3[O-])C2=O)n1	ZINC000365758687	988053561	/nfs/dbraw/zinc/05/35/61/988053561.db2.gz	FDZKWVTVYCYQSU-CQSZACIVSA-N	-1	3	356.382	1.117	20	10		FDCDHM
O=C(c1cccc(O)c1[O-])N1CCNC(=O)[C@H]1Cc1nc2ccccc2o1	ZINC000373768240	992424662	/nfs/dbraw/zinc/42/46/62/992424662.db2.gz	DLHZWHCWBVKTIC-CYBMUJFWSA-N	-1	3	367.361	1.422	20	10		FDCDHM
CN1CCCc2cc(CNC(=O)N3CCN(C(C)(C)C(=O)[O-])CC3)ccc21	ZINC001598602995	993592586	/nfs/dbraw/zinc/59/25/86/993592586.db2.gz	YZTRQIXDMAGAFQ-UHFFFAOYSA-N	-1	3	374.485	1.759	20	10		FDCDHM
C[C@@H]([NH2+]C[C@]1(CO)COCC2(CCC2)N1C)c1cc(C(=O)[O-])ccc1[O-]	ZINC001593248121	994468782	/nfs/dbraw/zinc/46/87/82/994468782.db2.gz	IZRQCFZMODUQPS-YJYMSZOUSA-N	-1	3	364.442	1.357	20	10		FDCDHM
COC(=O)c1ccc(F)c(S(=O)(=O)[N-]Cc2ccc(OC)cc2O)c1	ZINC000795357936	1006339848	/nfs/dbraw/zinc/33/98/48/1006339848.db2.gz	TVUGBIIGDRZUFJ-UHFFFAOYSA-N	-1	3	369.370	1.805	20	10		FDCDHM
COC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccc(OC)cc2O)s1	ZINC000795358369	1006341079	/nfs/dbraw/zinc/34/10/79/1006341079.db2.gz	NEKSBXLXYRKVDW-UHFFFAOYSA-N	-1	3	357.409	1.727	20	10		FDCDHM
COc1cc(Cl)cc(CN2CCN(C(=O)N3CCNCC3)CC2)c1[O-]	ZINC000530241683	539918240	/nfs/dbraw/zinc/91/82/40/539918240.db2.gz	HFWRVMWIYWATIB-UHFFFAOYSA-N	-1	3	368.865	1.197	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCOC3(CCCC3)C2)c1	ZINC000269006068	674105345	/nfs/dbraw/zinc/10/53/45/674105345.db2.gz	XNBFSAHKHZYATH-CYBMUJFWSA-N	-1	3	368.455	1.985	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCC[C@@H]3OCC[C@@H]32)c1	ZINC000271234098	674326076	/nfs/dbraw/zinc/32/60/76/674326076.db2.gz	DTXCACJNZGJWOZ-KYOSRNDESA-N	-1	3	354.428	1.451	20	10		FDCDHM
COc1cc(Cl)cc(CN2CCN([C@@H]3CCCCNC3=O)CC2)c1[O-]	ZINC000359963502	533952713	/nfs/dbraw/zinc/95/27/13/533952713.db2.gz	ZNGHASKQJKYNPH-OAHLLOKOSA-N	-1	3	367.877	1.841	20	10		FDCDHM
CCCN(CC(=O)N(CC)[C@H]1CCS(=O)(=O)C1)Cc1ccccc1[O-]	ZINC000069009888	521782570	/nfs/dbraw/zinc/78/25/70/521782570.db2.gz	WLEAIVXAVOQCLG-INIZCTEOSA-N	-1	3	368.499	1.640	20	10		FDCDHM
CC(=O)c1cc(F)cc(CN2CCC[C@@H](C(=O)N3CCOCC3)C2)c1[O-]	ZINC000079398378	523744578	/nfs/dbraw/zinc/74/45/78/523744578.db2.gz	ZMPIXTAPOGHRDI-CQSZACIVSA-N	-1	3	364.417	1.805	20	10		FDCDHM
CCOC(=O)[C@H]1CCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1	ZINC000055160330	523757742	/nfs/dbraw/zinc/75/77/42/523757742.db2.gz	AOAHVBINTXMKJL-NSHDSACASA-N	-1	3	370.427	1.179	20	10		FDCDHM
NC(=O)NC1(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)CC1	ZINC000158250145	524430883	/nfs/dbraw/zinc/43/08/83/524430883.db2.gz	YKZHNJCPHPPTJF-CYBMUJFWSA-N	-1	3	366.849	1.327	20	10		FDCDHM
Cc1cc(Cl)cc(CN(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)c1[O-]	ZINC000179769335	525629638	/nfs/dbraw/zinc/62/96/38/525629638.db2.gz	IBHZVFHMWFBCNI-ZDUSSCGKSA-N	-1	3	360.863	1.089	20	10		FDCDHM
O=S(=O)(CCNCc1cccc(Cl)c1[O-])NC[C@@H]1CCCCO1	ZINC000182252649	526111570	/nfs/dbraw/zinc/11/15/70/526111570.db2.gz	HZPYDQFPQLNCJE-ZDUSSCGKSA-N	-1	3	362.879	1.624	20	10		FDCDHM
C[C@H](C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)n1cncn1	ZINC000134268131	526142594	/nfs/dbraw/zinc/14/25/94/526142594.db2.gz	FWUJWUHINCJHJR-IUODEOHRSA-N	-1	3	363.849	1.979	20	10		FDCDHM
CNC(=O)[C@H]1CN(Cc2cc(Br)cc(OC)c2[O-])CCO1	ZINC000182458607	526180306	/nfs/dbraw/zinc/18/03/06/526180306.db2.gz	YTHYSBLXWUAJEU-GFCCVEGCSA-N	-1	3	359.220	1.110	20	10		FDCDHM
CC(=O)c1cc(F)cc(CN2CCN(CCC(=O)N(C)C)CC2)c1[O-]	ZINC000268478526	537013134	/nfs/dbraw/zinc/01/31/34/537013134.db2.gz	NQVWJMCOWMXOMF-UHFFFAOYSA-N	-1	3	351.422	1.330	20	10		FDCDHM
Cc1cc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)[n-]c(=O)n1	ZINC000268626460	537015642	/nfs/dbraw/zinc/01/56/42/537015642.db2.gz	DNFAPZIXPXKVAY-UHFFFAOYSA-N	-1	3	356.426	1.629	20	10		FDCDHM
C[C@@](O)(CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1cccs1	ZINC000265798623	537173874	/nfs/dbraw/zinc/17/38/74/537173874.db2.gz	HSAKPCCFMSITNA-OAHLLOKOSA-N	-1	3	370.452	1.463	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1	ZINC000270074613	537280317	/nfs/dbraw/zinc/28/03/17/537280317.db2.gz	MCDUVRAWQSHQCL-GLQYFDAESA-N	-1	3	366.439	1.451	20	10		FDCDHM
CN(C)c1ccc(C[N-]S(=O)(=O)c2cn(C)nc2C(F)(F)F)cc1	ZINC000293919579	537625377	/nfs/dbraw/zinc/62/53/77/537625377.db2.gz	DQWOMHDBAOTJAP-UHFFFAOYSA-N	-1	3	362.377	1.983	20	10		FDCDHM
Cc1cc(C(=O)NCc2ncc[nH]2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1	ZINC000737236151	598909169	/nfs/dbraw/zinc/90/91/69/598909169.db2.gz	DSBMCCFSAFCDNW-UHFFFAOYSA-N	-1	3	362.397	1.927	20	10		FDCDHM
Cc1cc(N(C)C)ccc1CNC(=O)COc1cccc(-c2nnn[n-]2)c1	ZINC000737270208	599017127	/nfs/dbraw/zinc/01/71/27/599017127.db2.gz	LIHUPWBAFJPGKE-UHFFFAOYSA-N	-1	3	366.425	1.936	20	10		FDCDHM
Cc1cc(N(C)C)ccc1CNC(=O)COc1cccc(-c2nn[n-]n2)c1	ZINC000737270208	599017129	/nfs/dbraw/zinc/01/71/29/599017129.db2.gz	LIHUPWBAFJPGKE-UHFFFAOYSA-N	-1	3	366.425	1.936	20	10		FDCDHM
CN(C)c1ccc2c(c1)OCCN2C(=O)c1cccc(-c2nnn[n-]2)c1	ZINC000821589591	599215765	/nfs/dbraw/zinc/21/57/65/599215765.db2.gz	VFUGUGQEFMXLSB-UHFFFAOYSA-N	-1	3	350.382	1.972	20	10		FDCDHM
CN(C)c1ccc2c(c1)OCCN2C(=O)c1cccc(-c2nn[n-]n2)c1	ZINC000821589591	599215766	/nfs/dbraw/zinc/21/57/66/599215766.db2.gz	VFUGUGQEFMXLSB-UHFFFAOYSA-N	-1	3	350.382	1.972	20	10		FDCDHM
COC(=O)[C@H](C)NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C	ZINC000736939263	598610207	/nfs/dbraw/zinc/61/02/07/598610207.db2.gz	KKXGIGBZYHABOP-NSHDSACASA-N	-1	3	368.397	1.566	20	10		FDCDHM
Cc1cc(C(=O)NCCOCCO)c(C)n1-c1ccc(-c2nn[n-]n2)cc1	ZINC000822176333	607507655	/nfs/dbraw/zinc/50/76/55/607507655.db2.gz	JLNAZGRXKXGFAJ-UHFFFAOYSA-N	-1	3	370.413	1.013	20	10		FDCDHM
COc1ccc(O)c(CNS(=O)(=O)c2ccccc2-c2nnn[n-]2)c1	ZINC000826210399	607637526	/nfs/dbraw/zinc/63/75/26/607637526.db2.gz	PWUDQDHWLKXYSK-UHFFFAOYSA-N	-1	3	361.383	1.059	20	10		FDCDHM
COc1ccc(O)c(CNS(=O)(=O)c2ccccc2-c2nn[n-]n2)c1	ZINC000826210399	607637528	/nfs/dbraw/zinc/63/75/28/607637528.db2.gz	PWUDQDHWLKXYSK-UHFFFAOYSA-N	-1	3	361.383	1.059	20	10		FDCDHM
CCCC[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C(=O)OC	ZINC000273920733	674580002	/nfs/dbraw/zinc/58/00/02/674580002.db2.gz	DJFWTELJYCZIHR-GFCCVEGCSA-N	-1	3	358.416	1.225	20	10		FDCDHM
CC(=O)c1cc(F)cc(CN2CCC[C@@H](N3CCCS3(=O)=O)C2)c1[O-]	ZINC000278756526	675190928	/nfs/dbraw/zinc/19/09/28/675190928.db2.gz	BGXSKAGTBYKXOD-OAHLLOKOSA-N	-1	3	370.446	1.734	20	10		FDCDHM
COCCCNC(=O)[C@H](C)N1CCN(Cc2c([O-])cccc2Cl)CC1	ZINC000131496585	671804443	/nfs/dbraw/zinc/80/44/43/671804443.db2.gz	WYWQONKWDDYPHE-AWEZNQCLSA-N	-1	3	369.893	1.704	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2C[C@]3(CCCO3)[C@H]2C2CC2)c1	ZINC000294717511	676396391	/nfs/dbraw/zinc/39/63/91/676396391.db2.gz	HFZFAXGYYKEGGE-NVXWUHKLSA-N	-1	3	366.439	1.547	20	10		FDCDHM
CCn1cc([C@@H](C)NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cn1	ZINC000296890554	676421745	/nfs/dbraw/zinc/42/17/45/676421745.db2.gz	IIKUTFOYSCKYRE-SNVBAGLBSA-N	-1	3	352.416	1.471	20	10		FDCDHM
Cc1ncsc1C(=O)N1CCCN(C(=O)c2cccc(O)c2[O-])CC1	ZINC000363946342	676980247	/nfs/dbraw/zinc/98/02/47/676980247.db2.gz	MXBKYVZFAFEUHK-UHFFFAOYSA-N	-1	3	361.423	1.851	20	10		FDCDHM
CN1CCN(c2ncccc2CNC(=O)c2c(F)ccc(O)c2[O-])CC1	ZINC000276610401	778405230	/nfs/dbraw/zinc/40/52/30/778405230.db2.gz	PKHSSDROWQUYSB-UHFFFAOYSA-N	-1	3	360.389	1.314	20	10		FDCDHM
O=C(N[C@H]1CCOC1)OC[C@@H]1CCCCN1C(=O)c1cccc(O)c1[O-]	ZINC000376472389	787965596	/nfs/dbraw/zinc/96/55/96/787965596.db2.gz	HBHQWLFWRYQXAY-STQMWFEESA-N	-1	3	364.398	1.608	20	10		FDCDHM
CO[C@@H]1CS(=O)(=O)C[C@H]1NCc1cccc(Br)c1[O-]	ZINC000697291288	832026550	/nfs/dbraw/zinc/02/65/50/832026550.db2.gz	XDKSPRUWOMKVGA-GHMZBOCLSA-N	-1	3	350.234	1.056	20	10		FDCDHM
COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)c1cccc(O)c1[O-]	ZINC001142642628	846597498	/nfs/dbraw/zinc/59/74/98/846597498.db2.gz	JZJFAGGIGTUETK-UHFFFAOYSA-N	-1	3	372.377	1.831	20	10		FDCDHM
C[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)NCc1c([O-])cccc1F	ZINC000921326480	887742621	/nfs/dbraw/zinc/74/26/21/887742621.db2.gz	LSGNPKZHYVSHIJ-GWCFXTLKSA-N	-1	3	359.423	1.001	20	10		FDCDHM
C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1cccc(O)c1	ZINC000727853988	911387465	/nfs/dbraw/zinc/38/74/65/911387465.db2.gz	OIGFCIYKTKQHJP-SNVBAGLBSA-N	-1	3	350.396	1.960	20	10		FDCDHM
CO[C@@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C(F)(F)F	ZINC000733366954	921037244	/nfs/dbraw/zinc/03/72/44/921037244.db2.gz	GMVBRACZQDGMPD-JTQLQIEISA-N	-1	3	356.322	1.071	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCCC[C@@H]2C2OCCO2)c1	ZINC000769748630	929662890	/nfs/dbraw/zinc/66/28/90/929662890.db2.gz	HDHLPGVKGCAWAX-CYBMUJFWSA-N	-1	3	370.427	1.131	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCCC[C@H]2C2OCCO2)c1	ZINC000769748631	929663094	/nfs/dbraw/zinc/66/30/94/929663094.db2.gz	HDHLPGVKGCAWAX-ZDUSSCGKSA-N	-1	3	370.427	1.131	20	10		FDCDHM
COC(=O)CCC(C)(C)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000769841634	929717886	/nfs/dbraw/zinc/71/78/86/929717886.db2.gz	AKQNKQSRZOBOMC-UHFFFAOYSA-N	-1	3	358.416	1.225	20	10		FDCDHM
COc1cc(F)cc(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1	ZINC000770225565	929918433	/nfs/dbraw/zinc/91/84/33/929918433.db2.gz	MYEOAGOSYFFNCR-UHFFFAOYSA-N	-1	3	368.386	1.841	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCC[C@H]2CCCC[C@@H]2O)c1	ZINC000771065115	930411827	/nfs/dbraw/zinc/41/18/27/930411827.db2.gz	OZIAYJRAYRYMCT-DOMZBBRYSA-N	-1	3	370.471	1.825	20	10		FDCDHM
CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OC)c(C(N)=O)c1	ZINC000790417081	933527943	/nfs/dbraw/zinc/52/79/43/933527943.db2.gz	GTRBKIOCUHFNRG-UHFFFAOYSA-N	-1	3	350.396	1.863	20	10		FDCDHM
CC[C@H](C)C[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C(=O)OC	ZINC000843940773	947522130	/nfs/dbraw/zinc/52/21/30/947522130.db2.gz	WJQWLQBDQNYQFX-GWCFXTLKSA-N	-1	3	372.443	1.471	20	10		FDCDHM
O=C(NC1CCC1)[C@H]1COC2(C1)CCN(C(=O)c1cccc(O)c1[O-])CC2	ZINC001148213438	952647607	/nfs/dbraw/zinc/64/76/07/952647607.db2.gz	AUSCCOTWYXESEC-CYBMUJFWSA-N	-1	3	374.437	1.778	20	10		FDCDHM
CCN(CC)c1ccnc([C@H]2COCCN2C(=O)c2cccc(O)c2[O-])n1	ZINC001148213848	952648259	/nfs/dbraw/zinc/64/82/59/952648259.db2.gz	KTBXMBLLFNQFMF-CQSZACIVSA-N	-1	3	372.425	1.948	20	10		FDCDHM
O=C(c1cc(O)c([O-])c(O)c1)N1C[C@H](Oc2cccnc2)[C@H]2OCCC[C@@H]21	ZINC001148582569	952757264	/nfs/dbraw/zinc/75/72/64/952757264.db2.gz	LIHDIARZKOPUBT-OWQGQXMQSA-N	-1	3	372.377	1.649	20	10		FDCDHM
O=C(NCc1ccc(N2CCCNC2=O)nc1)c1cc(O)c([O-])c(O)c1	ZINC001148590050	952761333	/nfs/dbraw/zinc/76/13/33/952761333.db2.gz	ADGCCNSYMXWGAZ-UHFFFAOYSA-N	-1	3	358.354	1.048	20	10		FDCDHM
COc1c([O-])c(CN2CC[C@@H](NC(=O)NC3CC3)C2)ccc1[N+](=O)[O-]	ZINC000775062506	964883871	/nfs/dbraw/zinc/88/38/71/964883871.db2.gz	AMQBVCMTWSMTNE-GFCCVEGCSA-N	-1	3	350.375	1.345	20	10		FDCDHM
O=C(c1cccc(O)c1[O-])N(CCN1CCOCC1)[C@H]1CCSC1	ZINC000854569358	968987409	/nfs/dbraw/zinc/98/74/09/968987409.db2.gz	WLEFFBCERLGMDC-ZDUSSCGKSA-N	-1	3	352.456	1.378	20	10		FDCDHM
O=C(c1ccc(O)c([O-])c1Cl)N1C[C@H]2CN(CC3CC3)C[C@@H](C1)O2	ZINC001193225682	969594451	/nfs/dbraw/zinc/59/44/51/969594451.db2.gz	QYJKOAXARVCHLH-TXEJJXNPSA-N	-1	3	352.818	1.686	20	10		FDCDHM
C[C@@H]1COC2(CCC2)CN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000855519778	970459974	/nfs/dbraw/zinc/45/99/74/970459974.db2.gz	ZGPFLXIQKIQOAR-LLVKDONJSA-N	-1	3	354.428	1.547	20	10		FDCDHM
CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)cc2F)cc1C	ZINC000794595027	973418514	/nfs/dbraw/zinc/41/85/14/973418514.db2.gz	FJZUXBQUMKJOMR-UHFFFAOYSA-N	-1	3	374.415	1.549	20	10		FDCDHM
Cc1nocc1S(=O)(=O)[N-]Cc1ccc(N2CCC(CO)CC2)cc1	ZINC000866834831	976142797	/nfs/dbraw/zinc/14/27/97/976142797.db2.gz	PQFWFDKOOCEHGJ-UHFFFAOYSA-N	-1	3	365.455	1.670	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H](OC3CCC3)C2)c1	ZINC000848303777	976586075	/nfs/dbraw/zinc/58/60/75/976586075.db2.gz	RNTBWTUNSXJZRZ-CQSZACIVSA-N	-1	3	368.455	1.937	20	10		FDCDHM
C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1Cc1cc2c(cc1O)OC[C@@H]2O	ZINC000848503086	976850509	/nfs/dbraw/zinc/85/05/09/976850509.db2.gz	WAHQBHJUCJZSRM-IUPBHXKESA-N	-1	3	374.359	1.849	20	10		FDCDHM
CN1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C[C@@H]1C(C)(C)C	ZINC000880614393	979355959	/nfs/dbraw/zinc/35/59/59/979355959.db2.gz	VABJQGAVJSMCPD-OAHLLOKOSA-N	-1	3	369.487	1.566	20	10		FDCDHM
CN(C)S(=O)(=O)N1CC(NCc2cc(Cl)cc(Cl)c2[O-])C1	ZINC000858311315	981980042	/nfs/dbraw/zinc/98/00/42/981980042.db2.gz	DXWCNYCEAFHFMQ-UHFFFAOYSA-N	-1	3	354.259	1.279	20	10		FDCDHM
COC(=O)CNC(=O)[C@H]1CCCN1Cc1c([O-])cccc1Br	ZINC000862396692	984373801	/nfs/dbraw/zinc/37/38/01/984373801.db2.gz	WMQQVIOUZUCKTM-GFCCVEGCSA-N	-1	3	371.231	1.408	20	10		FDCDHM
NC(=O)c1cn(C2CCN(Cc3cc(Cl)cc(F)c3[O-])CC2)nn1	ZINC000862483395	984399449	/nfs/dbraw/zinc/39/94/49/984399449.db2.gz	MBOMZAUHIHKENE-UHFFFAOYSA-N	-1	3	353.785	1.712	20	10		FDCDHM
C[C@@H]1CN(C(=O)Cn2cc(NC(=O)c3cccc(O)c3[O-])cn2)C[C@H](C)O1	ZINC000365598872	987910985	/nfs/dbraw/zinc/91/09/85/987910985.db2.gz	LVMJBLWQRYJTAG-TXEJJXNPSA-N	-1	3	374.397	1.182	20	10		FDCDHM
CC(=O)c1cc(F)cc(CN2CCCN(C(=O)[C@H]3CCCO3)CC2)c1[O-]	ZINC000370168700	989512141	/nfs/dbraw/zinc/51/21/41/989512141.db2.gz	HLFDTOXGJUYQJN-QGZVFWFLSA-N	-1	3	364.417	1.947	20	10		FDCDHM
CN(CCNS(C)(=O)=O)Cc1c(O)c(C(=O)[O-])cc2ccccc21	ZINC001598494443	992345128	/nfs/dbraw/zinc/34/51/28/992345128.db2.gz	XKPRMXRRCSCDND-UHFFFAOYSA-N	-1	3	352.412	1.225	20	10		FDCDHM
CNC(=O)NC1CCN(Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])CC1	ZINC001598652147	994461254	/nfs/dbraw/zinc/46/12/54/994461254.db2.gz	HINAPFRYFVLNKA-UHFFFAOYSA-N	-1	3	362.405	1.909	20	10		FDCDHM
COc1cc(Br)cc(C[NH2+][C@@]2(CC(=O)[O-])CCOC2)c1[O-]	ZINC001599346576	998017106	/nfs/dbraw/zinc/01/71/06/998017106.db2.gz	JLXQGEYRRNXJBI-CQSZACIVSA-N	-1	3	360.204	1.887	20	10		FDCDHM
COCCOC1(C[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2[O-])CCOCC1	ZINC001599247621	998172347	/nfs/dbraw/zinc/17/23/47/998172347.db2.gz	KESMKGBHVRIVPV-ZDUSSCGKSA-N	-1	3	353.415	1.953	20	10		FDCDHM
O=C(NCc1c([O-])cccc1F)[C@@H]1CC=CC[C@H]1C(=O)N1CCOCC1	ZINC000928708368	1001632309	/nfs/dbraw/zinc/63/23/09/1001632309.db2.gz	KCTBFRUACQQGFK-ZIAGYGMSSA-N	-1	3	362.401	1.589	20	10		FDCDHM
O=C(Cn1ccc(NCc2c([O-])cccc2Cl)n1)N1CCOCC1	ZINC000268419839	674089045	/nfs/dbraw/zinc/08/90/45/674089045.db2.gz	LJDNWGBKFWWRGF-UHFFFAOYSA-N	-1	3	350.806	1.713	20	10		FDCDHM
COC(=O)C[C@H]1C(=O)NCCN1Cc1cc(Br)ccc1[O-]	ZINC000159786002	524739775	/nfs/dbraw/zinc/73/97/75/524739775.db2.gz	YFLMCKONDJDADQ-NSHDSACASA-N	-1	3	357.204	1.018	20	10		FDCDHM
CC(=O)c1cc(F)cc(CN2CC[C@H](S(=O)(=O)NC(C)C)C2)c1[O-]	ZINC000134319131	526148902	/nfs/dbraw/zinc/14/89/02/526148902.db2.gz	FMZFKQAXIQUJMJ-AWEZNQCLSA-N	-1	3	358.435	1.636	20	10		FDCDHM
COCCCN(C(=O)c1ccc(C)c(O)c1[O-])[C@@H]1CCS(=O)(=O)C1	ZINC000272743772	537325741	/nfs/dbraw/zinc/32/57/41/537325741.db2.gz	IWICXOROHIBCCI-GFCCVEGCSA-N	-1	3	357.428	1.072	20	10		FDCDHM
COc1c([O-])c(CN2CCCC[C@@H](S(C)(=O)=O)C2)ccc1[N+](=O)[O-]	ZINC000278575407	537339817	/nfs/dbraw/zinc/33/98/17/537339817.db2.gz	CPKCMCFHJLGGDZ-GFCCVEGCSA-N	-1	3	358.416	1.708	20	10		FDCDHM
Cc1cc(C(=O)NN2CCOCC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1	ZINC000737236656	598971931	/nfs/dbraw/zinc/97/19/31/598971931.db2.gz	PYSGCDKELZJDOU-UHFFFAOYSA-N	-1	3	367.413	1.251	20	10		FDCDHM
S=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1ccc2c(c1)OCO2	ZINC000738400906	599223738	/nfs/dbraw/zinc/22/37/38/599223738.db2.gz	JKMHMTUEPGUTMM-UHFFFAOYSA-N	-1	3	355.383	1.909	20	10		FDCDHM
S=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1ccc2c(c1)OCO2	ZINC000738400906	599223739	/nfs/dbraw/zinc/22/37/39/599223739.db2.gz	JKMHMTUEPGUTMM-UHFFFAOYSA-N	-1	3	355.383	1.909	20	10		FDCDHM
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(-c2nnn[n-]2)cn1	ZINC000736559508	598462283	/nfs/dbraw/zinc/46/22/83/598462283.db2.gz	YUMCMSPTJLPHBQ-UHFFFAOYSA-N	-1	3	351.414	1.990	20	10		FDCDHM
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(-c2nn[n-]n2)cn1	ZINC000736559508	598462285	/nfs/dbraw/zinc/46/22/85/598462285.db2.gz	YUMCMSPTJLPHBQ-UHFFFAOYSA-N	-1	3	351.414	1.990	20	10		FDCDHM
Cc1cc(C(=O)N2CCC[C@H](O)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1	ZINC000737234437	598610473	/nfs/dbraw/zinc/61/04/73/598610473.db2.gz	LFPGSIWDNUZJNY-INIZCTEOSA-N	-1	3	366.425	1.871	20	10		FDCDHM
Cc1cc(C(=O)NCCCC(N)=O)c(C)n1-c1ccc(-c2nn[n-]n2)cc1	ZINC000737233278	598610522	/nfs/dbraw/zinc/61/05/22/598610522.db2.gz	ADDHJHIDDRZALD-UHFFFAOYSA-N	-1	3	367.413	1.270	20	10		FDCDHM
CCN1C(=O)C(=Cc2cnc3ccc(-c4nnn[n-]4)cn23)SC1=S	ZINC000736565190	599457341	/nfs/dbraw/zinc/45/73/41/599457341.db2.gz	RRSIKYQGKHZARK-YHYXMXQVSA-N	-1	3	357.424	1.736	20	10		FDCDHM
CCN1C(=O)C(=Cc2cnc3ccc(-c4nn[n-]n4)cn23)SC1=S	ZINC000736565190	599457342	/nfs/dbraw/zinc/45/73/42/599457342.db2.gz	RRSIKYQGKHZARK-YHYXMXQVSA-N	-1	3	357.424	1.736	20	10		FDCDHM
COc1ccc(N(C)CC(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1F	ZINC000821827691	606881829	/nfs/dbraw/zinc/88/18/29/606881829.db2.gz	IMVCUFSEAVHJOA-UHFFFAOYSA-N	-1	3	370.388	1.767	20	10		FDCDHM
COc1ccc(N(C)CC(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1F	ZINC000821827691	606881830	/nfs/dbraw/zinc/88/18/30/606881830.db2.gz	IMVCUFSEAVHJOA-UHFFFAOYSA-N	-1	3	370.388	1.767	20	10		FDCDHM
C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCCc1ccc(O)c(O)c1	ZINC000820542821	607191483	/nfs/dbraw/zinc/19/14/83/607191483.db2.gz	RBAFEAGFOYCSAT-LLVKDONJSA-N	-1	3	369.381	1.404	20	10		FDCDHM
C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCCc1ccc(O)c(O)c1	ZINC000820542821	607191484	/nfs/dbraw/zinc/19/14/84/607191484.db2.gz	RBAFEAGFOYCSAT-LLVKDONJSA-N	-1	3	369.381	1.404	20	10		FDCDHM
O=C(c1cccc(O)c1[O-])N1CSC[C@@H]1C(=O)N1CCSCC1	ZINC000275051028	674603377	/nfs/dbraw/zinc/60/33/77/674603377.db2.gz	WYTRUEAQNUENQH-LLVKDONJSA-N	-1	3	354.453	1.188	20	10		FDCDHM
Cc1noc(C)c1CCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000264373792	672910572	/nfs/dbraw/zinc/91/05/72/672910572.db2.gz	HYJWQXLHJDLKCR-UHFFFAOYSA-N	-1	3	353.400	1.341	20	10		FDCDHM
Cc1nn(C)c(C)c1CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000266467695	673126194	/nfs/dbraw/zinc/12/61/94/673126194.db2.gz	BEUFLJLVKFOFGL-UHFFFAOYSA-N	-1	3	352.416	1.044	20	10		FDCDHM
Cc1cnn([C@@H]2CCN(C(=O)c3cc(NS(C)(=O)=O)ccc3[O-])C2)c1	ZINC000291343441	676258006	/nfs/dbraw/zinc/25/80/06/676258006.db2.gz	TVPASVQMWUFSRF-CYBMUJFWSA-N	-1	3	364.427	1.356	20	10		FDCDHM
C[C@]12CCN(C(=O)c3cc(NS(C)(=O)=O)ccc3[O-])C[C@H]1C2(F)F	ZINC000293960990	676372276	/nfs/dbraw/zinc/37/22/76/676372276.db2.gz	JKVVHQHWBOMCAV-OCCSQVGLSA-N	-1	3	360.382	1.881	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2C[C@@]3(CCCO3)[C@H]2C2CC2)c1	ZINC000294719753	676396426	/nfs/dbraw/zinc/39/64/26/676396426.db2.gz	HFZFAXGYYKEGGE-WBVHZDCISA-N	-1	3	366.439	1.547	20	10		FDCDHM
COc1c([O-])c(CN2CC[C@H](S(=O)(=O)NC(C)C)C2)ccc1[N+](=O)[O-]	ZINC000365804552	677383415	/nfs/dbraw/zinc/38/34/15/677383415.db2.gz	FXHORZVRQDMZNH-LBPRGKRZSA-N	-1	3	373.431	1.211	20	10		FDCDHM
O=C(NC1CCC(N2CCCS2(=O)=O)CC1)c1cccc(O)c1[O-]	ZINC000369631233	677507588	/nfs/dbraw/zinc/50/75/88/677507588.db2.gz	ODMIWSCOYSZRSR-UHFFFAOYSA-N	-1	3	354.428	1.174	20	10		FDCDHM
CC(=O)c1cc(F)cc(CN2CCN(S(=O)(=O)C3CC3)CC2)c1[O-]	ZINC000528613319	694737466	/nfs/dbraw/zinc/73/74/66/694737466.db2.gz	ULYCOBUZFIQHFD-UHFFFAOYSA-N	-1	3	356.419	1.344	20	10		FDCDHM
COc1ccc(O)c(C[N-]S(=O)(=O)c2cnn(C)c2C(F)(F)F)c1	ZINC000866849903	769161020	/nfs/dbraw/zinc/16/10/20/769161020.db2.gz	QOHPZHDDKKVIBI-UHFFFAOYSA-N	-1	3	365.333	1.632	20	10		FDCDHM
COC(=O)C1CC2(C1)C[C@@H](NC(=O)NCc1c([O-])cccc1F)CCO2	ZINC000924050097	774680488	/nfs/dbraw/zinc/68/04/88/774680488.db2.gz	FZRUPZAVEJABNO-LASWEOPPSA-N	-1	3	366.389	1.831	20	10		FDCDHM
CO[C@H]1CS(=O)(=O)C[C@H]1NCc1cccc(Br)c1[O-]	ZINC000697291290	832023335	/nfs/dbraw/zinc/02/33/35/832023335.db2.gz	XDKSPRUWOMKVGA-MNOVXSKESA-N	-1	3	350.234	1.056	20	10		FDCDHM
Nc1ccc(CCNC(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cc1	ZINC000841956446	840216699	/nfs/dbraw/zinc/21/66/99/840216699.db2.gz	FBQQUJSNRZJDFC-CYBMUJFWSA-N	-1	3	372.391	1.911	20	10		FDCDHM
O=C(NCc1c([O-])cccc1F)NC[C@@]1(N2CCOCC2)CCSC1	ZINC000914328514	872378571	/nfs/dbraw/zinc/37/85/71/872378571.db2.gz	OSRQWGLJURPLOM-KRWDZBQOSA-N	-1	3	369.462	1.538	20	10		FDCDHM
O=C(NCCc1ccc(O)c(O)c1)[C@H]1CCCN1C(=O)c1ccccc1[O-]	ZINC000762261034	875618881	/nfs/dbraw/zinc/61/88/81/875618881.db2.gz	DNUAWPDPJNINMF-OAHLLOKOSA-N	-1	3	370.405	1.767	20	10		FDCDHM
CS(=O)(=O)N1CCCC[C@H]1CNC(=O)NCc1c([O-])cccc1F	ZINC000922457738	878238112	/nfs/dbraw/zinc/23/81/12/878238112.db2.gz	LSEKBKDXRNPHFO-NSHDSACASA-N	-1	3	359.423	1.145	20	10		FDCDHM
CCOC(=O)C(=Cc1cc(C)c(C)nc1-n1[n-]c(=O)nc1CN)N=[N+]=[N-]	ZINC001168756849	884887083	/nfs/dbraw/zinc/88/70/83/884887083.db2.gz	VPQAZXVNUURGPD-WDZFZDKYSA-N	-1	3	358.362	1.658	20	10		FDCDHM
CC(=O)NCCc1ccc(S(=O)(=O)NCc2c([O-])cccc2F)s1	ZINC000921452635	888017186	/nfs/dbraw/zinc/01/71/86/888017186.db2.gz	UWQBXQIHDLQQHF-UHFFFAOYSA-N	-1	3	372.443	1.750	20	10		FDCDHM
O=C(NCCC1N=NC(=S)N1C1CC1)NCc1c([O-])cccc1F	ZINC000923215114	888422908	/nfs/dbraw/zinc/42/29/08/888422908.db2.gz	XHIUZZATYAMUBG-UHFFFAOYSA-N	-1	3	351.407	1.788	20	10		FDCDHM
Cc1ccccc1[C@@H](O)CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000732830671	920198291	/nfs/dbraw/zinc/19/82/91/920198291.db2.gz	KXSZJKOKBKMFGV-INIZCTEOSA-N	-1	3	364.423	1.536	20	10		FDCDHM
CC(C)n1ccc(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])n1	ZINC000738549860	925171869	/nfs/dbraw/zinc/17/18/69/925171869.db2.gz	VEWVQNZATDZBGM-UHFFFAOYSA-N	-1	3	352.416	1.471	20	10		FDCDHM
COc1ccc(CS(C)(=O)=O)cc1NC(=O)c1cccc(O)c1[O-]	ZINC000804353938	929280004	/nfs/dbraw/zinc/28/00/04/929280004.db2.gz	PSSDTQMJAYKFGY-UHFFFAOYSA-N	-1	3	351.380	1.903	20	10		FDCDHM
C[C@@H](Cc1cccc(O)c1)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000771049856	930434074	/nfs/dbraw/zinc/43/40/74/930434074.db2.gz	MQKGBOWZPMEKLN-NSHDSACASA-N	-1	3	364.423	1.830	20	10		FDCDHM
O=C(N[C@@H]1CC(=O)N([C@H]2C[C@@H]2c2ccccc2)C1)c1cccc(O)c1[O-]	ZINC000790809241	933728941	/nfs/dbraw/zinc/72/89/41/933728941.db2.gz	YPWJSLVAUIVZOU-BMFZPTHFSA-N	-1	3	352.390	1.985	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCc2noc3ccccc32)c1	ZINC000791180099	933912046	/nfs/dbraw/zinc/91/20/46/933912046.db2.gz	NFAQNYNTAKODEL-UHFFFAOYSA-N	-1	3	361.379	1.835	20	10		FDCDHM
Cn1c(=O)n(C)c2cc(NC(=O)/C=C\c3ccc(O)c(O)c3)c([O-])cc21	ZINC000794211852	938377415	/nfs/dbraw/zinc/37/74/15/938377415.db2.gz	XQSQGJYECCRGFF-XQRVVYSFSA-N	-1	3	355.350	1.646	20	10		FDCDHM
CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1ccc2ccccc2c1[O-]	ZINC000816492766	942223753	/nfs/dbraw/zinc/22/37/53/942223753.db2.gz	BMKHPOFSXXJXKW-OAHLLOKOSA-N	-1	3	362.451	1.281	20	10		FDCDHM
Cc1cc([O-])c(CN2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc1Cl	ZINC000824535706	946511780	/nfs/dbraw/zinc/51/17/80/946511780.db2.gz	VBENNLULZBXUMC-AWEZNQCLSA-N	-1	3	358.891	1.659	20	10		FDCDHM
CC(C)Cn1cnc(S(=O)(=O)[N-]N=c2[nH]c3cccnc3s2)c1	ZINC000857225865	971658055	/nfs/dbraw/zinc/65/80/55/971658055.db2.gz	VLOYRRMJGZGWEN-UHFFFAOYSA-N	-1	3	352.445	1.849	20	10		FDCDHM
COC1([C@@H](C)NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCOCC1	ZINC000857544158	971795384	/nfs/dbraw/zinc/79/53/84/971795384.db2.gz	HNRZVFSXGVUVDS-LLVKDONJSA-N	-1	3	372.443	1.078	20	10		FDCDHM
O=C(c1cccc(O)c1[O-])N1CCCn2cnc(Cn3cccn3)c2C1	ZINC001148213479	952647528	/nfs/dbraw/zinc/64/75/28/952647528.db2.gz	BZNJCGOACWQAKZ-UHFFFAOYSA-N	-1	3	353.382	1.585	20	10		FDCDHM
COC(=O)c1ccc(CN2CCN(C(=O)c3cccc(O)c3[O-])CC2)cc1	ZINC001148214166	952648739	/nfs/dbraw/zinc/64/87/39/952648739.db2.gz	PEQTVBKIRKNKHW-UHFFFAOYSA-N	-1	3	370.405	1.842	20	10		FDCDHM
O=C(c1cccc(O)c1[O-])N1Cc2ccnn2C[C@H](C(=O)N2CCCC2)C1	ZINC001148214148	952648804	/nfs/dbraw/zinc/64/88/04/952648804.db2.gz	OPVBIMVAJZDJSP-CYBMUJFWSA-N	-1	3	370.409	1.189	20	10		FDCDHM
O=C(Nc1nc(Br)cn2ccnc12)c1cc(O)c([O-])c(O)c1	ZINC001148579929	952756991	/nfs/dbraw/zinc/75/69/91/952756991.db2.gz	CRBWDSOWGIWNLH-UHFFFAOYSA-N	-1	3	365.143	1.861	20	10		FDCDHM
O=C(c1cc(O)c([O-])c(O)c1)N1CCN(c2ccc3c(c2)CCC3=O)CC1	ZINC001148588081	952760049	/nfs/dbraw/zinc/76/00/49/952760049.db2.gz	NSGGQVVJEBNQQH-UHFFFAOYSA-N	-1	3	368.389	1.895	20	10		FDCDHM
O=C(NCC1(Cc2ccncc2)CCOCC1)c1cc(O)c([O-])c(O)c1	ZINC001148591115	952761361	/nfs/dbraw/zinc/76/13/61/952761361.db2.gz	VBFUKLSGBSISFG-UHFFFAOYSA-N	-1	3	358.394	1.968	20	10		FDCDHM
CN1C(=O)C[C@@H](C(=O)NCc2cc(Cl)c3cccnc3c2[O-])NC1=O	ZINC001181136925	960608502	/nfs/dbraw/zinc/60/85/02/960608502.db2.gz	VFSXZQXDXAZUOY-NSHDSACASA-N	-1	3	362.773	1.150	20	10		FDCDHM
CN1CCN(c2cccc([N-]S(=O)(=O)c3cc(N)ccc3N)c2)CC1	ZINC001212717214	961974349	/nfs/dbraw/zinc/97/43/49/961974349.db2.gz	SLXUZLJGZOVUSR-UHFFFAOYSA-N	-1	3	361.471	1.404	20	10		FDCDHM
CN(C)c1ccc([C@H](CNC(=O)N2CC[C@](C)(C(=O)[O-])C2)N(C)C)cc1	ZINC001521234102	962868648	/nfs/dbraw/zinc/86/86/48/962868648.db2.gz	LWXPPIJIMDFPCI-LPHOPBHVSA-N	-1	3	362.474	1.862	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NOCCCC(F)(F)F)c1	ZINC001184168570	963480526	/nfs/dbraw/zinc/48/05/26/963480526.db2.gz	TUMQMNDIGMZICN-UHFFFAOYSA-N	-1	3	356.322	1.768	20	10		FDCDHM
Cc1nc(CC(=O)Nc2cc3c(cc2[O-])C(=O)c2ccccc2C3=O)n[nH]1	ZINC001177437859	963843630	/nfs/dbraw/zinc/84/36/30/963843630.db2.gz	RWLPWHSMQNIOLT-UHFFFAOYSA-N	-1	3	362.345	1.775	20	10		FDCDHM
O=C(NCc1c([O-])cccc1F)c1cn(-c2cccc([N+](=O)[O-])c2)nn1	ZINC001178413171	964227517	/nfs/dbraw/zinc/22/75/17/964227517.db2.gz	NXRBWLZKYCDLLT-UHFFFAOYSA-N	-1	3	357.301	1.950	20	10		FDCDHM
COc1cccc(CN[C@@H]2CCN([C@@H](C(=O)[O-])c3ccccc3)C2=O)c1O	ZINC001604866747	974116419	/nfs/dbraw/zinc/11/64/19/974116419.db2.gz	SEMRIPDCJMLGIQ-NVXWUHKLSA-N	-1	3	370.405	1.917	20	10		FDCDHM
CC(C)(C)OC(=O)N1CC[C@H](S(=O)(=O)[N-]c2ccc(O)cc2O)C1	ZINC001201645062	975109333	/nfs/dbraw/zinc/10/93/33/975109333.db2.gz	DXSMJBSNFIHEQA-NSHDSACASA-N	-1	3	358.416	1.849	20	10		FDCDHM
O=C(C=Cc1ccc(O)c(O)c1)NCCOc1ccc(-c2nn[n-]n2)cc1	ZINC000826400632	983076372	/nfs/dbraw/zinc/07/63/72/983076372.db2.gz	DAPPSIHTWHQSRM-KRXBUXKQSA-N	-1	3	367.365	1.486	20	10		FDCDHM
CC(=O)c1cc(F)cc(CN2CCNC(=O)CC23CCOCC3)c1[O-]	ZINC000872286788	987572583	/nfs/dbraw/zinc/57/25/83/987572583.db2.gz	REPCUEHWXSJTES-UHFFFAOYSA-N	-1	3	350.390	1.605	20	10		FDCDHM
COC(=O)C[C@H]1CS(=O)(=O)CCN1Cc1c([O-])ccc2ccncc21	ZINC000872677066	987957690	/nfs/dbraw/zinc/95/76/90/987957690.db2.gz	CYWPYGQZRQXJOQ-ZDUSSCGKSA-N	-1	3	364.423	1.103	20	10		FDCDHM
O=C(NCc1c([O-])cccc1F)C1CCN(c2ccc3nncn3n2)CC1	ZINC000928711165	1001633020	/nfs/dbraw/zinc/63/30/20/1001633020.db2.gz	GAGMXUSBXKAKAC-UHFFFAOYSA-N	-1	3	370.388	1.502	20	10		FDCDHM
O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21)NCc1c([O-])cccc1F	ZINC000928712653	1001633512	/nfs/dbraw/zinc/63/35/12/1001633512.db2.gz	VIGAREQCDIJNDV-IVMMDQJWSA-N	-1	3	367.446	1.873	20	10		FDCDHM
O=C(N[C@H](Cc1ccccc1)CN1CCOCC1)c1cccc(O)c1[O-]	ZINC000188471164	1001903485	/nfs/dbraw/zinc/90/34/85/1001903485.db2.gz	LGBBDXQTMYUWDS-MRXNPFEDSA-N	-1	3	356.422	1.771	20	10		FDCDHM
CC(=O)c1cc(Cl)cc(CN2CCC3(CC2)C[C@H](O)CNC3=O)c1[O-]	ZINC000932840819	1005210406	/nfs/dbraw/zinc/21/04/06/1005210406.db2.gz	RSQIVKWBAQTMCM-AWEZNQCLSA-N	-1	3	366.845	1.711	20	10		FDCDHM
CC[C@H](C)NC(=O)CN1CCN(Cc2cc(F)cc(C(C)=O)c2[O-])CC1	ZINC000079398779	1010378246	/nfs/dbraw/zinc/37/82/46/1010378246.db2.gz	NXMQLEHFOMFHHS-ZDUSSCGKSA-N	-1	3	365.449	1.766	20	10		FDCDHM
C[C@@]1(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCCC[C@@H]1O	ZINC000268745213	674098212	/nfs/dbraw/zinc/09/82/12/674098212.db2.gz	RIMJPIBEVOHHQD-HOCLYGCPSA-N	-1	3	356.444	1.435	20	10		FDCDHM
CCC[C@@](C)(NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C(=O)OC	ZINC000271208582	674322883	/nfs/dbraw/zinc/32/28/83/674322883.db2.gz	COSDJBAWTRNTOW-OAHLLOKOSA-N	-1	3	358.416	1.225	20	10		FDCDHM
C[N-]S(=O)(=O)c1cc(C(=O)NCc2ccc(N(C)C)cc2)c(C)o1	ZINC000081568439	524152312	/nfs/dbraw/zinc/15/23/12/524152312.db2.gz	DMIVAWCSIOEYLO-UHFFFAOYSA-N	-1	3	351.428	1.492	20	10		FDCDHM
Cc1cc(Cl)cc(CN2CCN([C@H]3CCS(=O)(=O)C3)CC2)c1[O-]	ZINC000179607636	525605615	/nfs/dbraw/zinc/60/56/15/525605615.db2.gz	KIFAHIVZLHQVBT-HNNXBMFYSA-N	-1	3	358.891	1.659	20	10		FDCDHM
CN1C[C@@H](C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)CC1=O	ZINC000134265175	526142870	/nfs/dbraw/zinc/14/28/70/526142870.db2.gz	VFZNKASMASXICX-DZGCQCFKSA-N	-1	3	365.861	1.605	20	10		FDCDHM
COCCN(C)S(=O)(=O)[C@H]1CCCN(Cc2cc(F)ccc2[O-])C1	ZINC000190831768	537188101	/nfs/dbraw/zinc/18/81/01/537188101.db2.gz	ORSSHRZUTNVVQW-HNNXBMFYSA-N	-1	3	360.451	1.404	20	10		FDCDHM
Cc1ccc(C(=O)NCCS(=O)(=O)CCc2ccccc2)c([O-])c1O	ZINC000282221703	537269879	/nfs/dbraw/zinc/26/98/79/537269879.db2.gz	SSOJSEVXWNBJEQ-UHFFFAOYSA-N	-1	3	363.435	1.794	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c1	ZINC000270074610	537280699	/nfs/dbraw/zinc/28/06/99/537280699.db2.gz	MCDUVRAWQSHQCL-DFBGVHRSSA-N	-1	3	366.439	1.451	20	10		FDCDHM
Cc1ccc(C(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)c([O-])c1O	ZINC000279579578	537350800	/nfs/dbraw/zinc/35/08/00/537350800.db2.gz	UFIGXEQZWRNYBD-LBPRGKRZSA-N	-1	3	354.428	1.046	20	10		FDCDHM
CCN1C(=O)C(=CNc2cccc(-c3nnn[n-]3)c2)C(=O)N(CC)C1=S	ZINC000299250751	537510433	/nfs/dbraw/zinc/51/04/33/537510433.db2.gz	CIYWPLYHJHIQAC-UHFFFAOYSA-N	-1	3	371.426	1.158	20	10		FDCDHM
CCN1C(=O)C(=CNc2cccc(-c3nn[n-]n3)c2)C(=O)N(CC)C1=S	ZINC000299250751	537510436	/nfs/dbraw/zinc/51/04/36/537510436.db2.gz	CIYWPLYHJHIQAC-UHFFFAOYSA-N	-1	3	371.426	1.158	20	10		FDCDHM
Cn1ccc(N2CC[C@@H](NCc3cc(Br)ccc3[O-])C2=O)n1	ZINC000360094020	537578190	/nfs/dbraw/zinc/57/81/90/537578190.db2.gz	WUFYXUSPTLLVSY-GFCCVEGCSA-N	-1	3	365.231	1.783	20	10		FDCDHM
COC[C@]1(C(=O)OC)CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1	ZINC000295101548	537710522	/nfs/dbraw/zinc/71/05/22/537710522.db2.gz	SWYVYBXKUFJLHR-HNNXBMFYSA-N	-1	3	358.778	1.965	20	10		FDCDHM
Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)Cc3ccccc3)C2)c([O-])c1O	ZINC000375939603	537807640	/nfs/dbraw/zinc/80/76/40/537807640.db2.gz	BZEVLCBIPIXPKW-OAHLLOKOSA-N	-1	3	354.406	1.980	20	10		FDCDHM
Cc1nccc(CN2CCC[C@@H](NCc3cc([N+](=O)[O-])ccc3[O-])C2=O)n1	ZINC000371945807	537834369	/nfs/dbraw/zinc/83/43/69/537834369.db2.gz	BFIIGIHPUZUWPN-MRXNPFEDSA-N	-1	3	371.397	1.680	20	10		FDCDHM
COc1ccc(N2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)cc1F	ZINC000821831458	606624908	/nfs/dbraw/zinc/62/49/08/606624908.db2.gz	AAIWFOKINAKPJL-UHFFFAOYSA-N	-1	3	371.376	1.305	20	10		FDCDHM
COc1ccc(N2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)cc1F	ZINC000821831458	606624910	/nfs/dbraw/zinc/62/49/10/606624910.db2.gz	AAIWFOKINAKPJL-UHFFFAOYSA-N	-1	3	371.376	1.305	20	10		FDCDHM
COc1ccc(N(C)CC(=O)NCc2cccc(-c3nnn[n-]3)c2)cc1F	ZINC000821828361	606881581	/nfs/dbraw/zinc/88/15/81/606881581.db2.gz	UBZVWLBQHSQBJO-UHFFFAOYSA-N	-1	3	370.388	1.767	20	10		FDCDHM
COc1ccc(N(C)CC(=O)NCc2cccc(-c3nn[n-]n3)c2)cc1F	ZINC000821828361	606881583	/nfs/dbraw/zinc/88/15/83/606881583.db2.gz	UBZVWLBQHSQBJO-UHFFFAOYSA-N	-1	3	370.388	1.767	20	10		FDCDHM
Cc1cc(C(=O)N2C[C@H](O)[C@@H](C)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1	ZINC000826258021	608596458	/nfs/dbraw/zinc/59/64/58/608596458.db2.gz	XAMRZUIGFPLHRH-GTNSWQLSSA-N	-1	3	366.425	1.727	20	10		FDCDHM
COc1ccc(N2CCN(Cc3ccc(-c4nnn[n-]4)o3)CC2)cc1F	ZINC000826209770	608836621	/nfs/dbraw/zinc/83/66/21/608836621.db2.gz	PNRXBJIIHGYFNW-UHFFFAOYSA-N	-1	3	358.377	1.930	20	10		FDCDHM
COc1ccc(N2CCN(Cc3ccc(-c4nn[n-]n4)o3)CC2)cc1F	ZINC000826209770	608836624	/nfs/dbraw/zinc/83/66/24/608836624.db2.gz	PNRXBJIIHGYFNW-UHFFFAOYSA-N	-1	3	358.377	1.930	20	10		FDCDHM
CC(=O)Nc1ncc(S(=O)(=O)[N-]Cc2ccc(N(C)C)c(F)c2)s1	ZINC000286937998	675910287	/nfs/dbraw/zinc/91/02/87/675910287.db2.gz	QFBUZOVQIFKEDC-UHFFFAOYSA-N	-1	3	372.447	1.785	20	10		FDCDHM
C[C@H](O)C[C@H]1CCCCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000287602654	675918868	/nfs/dbraw/zinc/91/88/68/675918868.db2.gz	YKGBAMFVZXYBKU-GXTWGEPZSA-N	-1	3	370.471	1.919	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H](c3ncc[nH]3)C2)c1	ZINC000263923761	672891104	/nfs/dbraw/zinc/89/11/04/672891104.db2.gz	HFGOKTODXOQMEM-NSHDSACASA-N	-1	3	364.427	1.507	20	10		FDCDHM
COC(=O)CN(CCS(=O)(=O)C(C)C)Cc1cc(Cl)ccc1[O-]	ZINC000267420253	673301844	/nfs/dbraw/zinc/30/18/44/673301844.db2.gz	KLEKLAFMHOMLGG-UHFFFAOYSA-N	-1	3	363.863	1.844	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCCC23CCOCC3)c1	ZINC000282587114	675636664	/nfs/dbraw/zinc/63/66/64/675636664.db2.gz	SUSLHGGTMSZCEH-OAHLLOKOSA-N	-1	3	368.455	1.843	20	10		FDCDHM
COCCOC[C@@H](O)CN(CC(=O)OC)Cc1cc(Cl)ccc1[O-]	ZINC000294888829	676398223	/nfs/dbraw/zinc/39/82/23/676398223.db2.gz	GVISQUWUIBCINI-AWEZNQCLSA-N	-1	3	361.822	1.045	20	10		FDCDHM
CC(C)(C)OC(=O)C1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1	ZINC000295853257	676411921	/nfs/dbraw/zinc/41/19/21/676411921.db2.gz	DLZCZWBNVNFDQW-UHFFFAOYSA-N	-1	3	370.427	1.177	20	10		FDCDHM
CO[C@@H]1[C@@H](C)[C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C12CCC2	ZINC000360012407	676860022	/nfs/dbraw/zinc/86/00/22/676860022.db2.gz	BJIBFUUFDLQSRT-NZVBXONLSA-N	-1	3	368.455	1.697	20	10		FDCDHM
Cn1nccc1[C@H]1[C@H](NC(=O)NCc2c([O-])cccc2F)CC(=O)N1C	ZINC000922411003	878093567	/nfs/dbraw/zinc/09/35/67/878093567.db2.gz	PEZONTOKTBYYJS-MLGOLLRUSA-N	-1	3	361.377	1.036	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCOCC(F)(F)F)c1	ZINC000919811258	886214549	/nfs/dbraw/zinc/21/45/49/886214549.db2.gz	BNGQWVHYHCCDOA-UHFFFAOYSA-N	-1	3	356.322	1.072	20	10		FDCDHM
COc1ccc(N2CCN(C(=O)COC(=O)c3cncc([O-])c3)CC2)cc1	ZINC000731915348	918795755	/nfs/dbraw/zinc/79/57/55/918795755.db2.gz	HTZIJUPJGIRWSA-UHFFFAOYSA-N	-1	3	371.393	1.301	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCc3c2cccc3O)c1	ZINC000732284725	919360642	/nfs/dbraw/zinc/36/06/42/919360642.db2.gz	AGPJJSSMQPMDRU-CQSZACIVSA-N	-1	3	362.407	1.887	20	10		FDCDHM
CC(C)CC[C@](C)(O)CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000743715120	926444259	/nfs/dbraw/zinc/44/42/59/926444259.db2.gz	GWTKFPNOFGUVMC-INIZCTEOSA-N	-1	3	358.460	1.681	20	10		FDCDHM
CCN(CC)C(=O)N1CCC(NC(=O)c2cc(O)c([O-])c(O)c2)CC1	ZINC000169881979	927929526	/nfs/dbraw/zinc/92/95/26/927929526.db2.gz	NVWSMJSVYAFLEW-UHFFFAOYSA-N	-1	3	351.403	1.459	20	10		FDCDHM
O=C(N[C@@H]1CC(=O)N([C@H]2C[C@H]2c2ccccc2)C1)c1cccc(O)c1[O-]	ZINC000790809245	933728680	/nfs/dbraw/zinc/72/86/80/933728680.db2.gz	YPWJSLVAUIVZOU-KBMXLJTQSA-N	-1	3	352.390	1.985	20	10		FDCDHM
O=C(N[C@H]1CC(=O)N(CCOc2ccccc2)C1)c1cccc(O)c1[O-]	ZINC000790773434	933732629	/nfs/dbraw/zinc/73/26/29/933732629.db2.gz	SQSHNFHXHWKAAA-ZDUSSCGKSA-N	-1	3	356.378	1.508	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCc2cnn3ccccc23)c1	ZINC000804445698	938443449	/nfs/dbraw/zinc/44/34/49/938443449.db2.gz	LRJXTRZWHPOUQS-UHFFFAOYSA-N	-1	3	360.395	1.341	20	10		FDCDHM
COc1ccc2c(c1)C[C@H](C(C)C)CN2Cc1cc(=O)n2nc(N)[n-]c2n1	ZINC000856747640	971371908	/nfs/dbraw/zinc/37/19/08/971371908.db2.gz	VOXPQWUXIZZZDU-ZDUSSCGKSA-N	-1	3	368.441	1.843	20	10		FDCDHM
CC[C@@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])[C@H](CC)CO1	ZINC000846375395	951009810	/nfs/dbraw/zinc/00/98/10/951009810.db2.gz	OXDUHFOTXMAFAO-CHWSQXEVSA-N	-1	3	356.444	1.793	20	10		FDCDHM
O=C(c1cccc(O)c1[O-])N1CC[C@H]2[C@H]1CC(=O)N2Cc1cccnc1	ZINC001148214154	952648723	/nfs/dbraw/zinc/64/87/23/952648723.db2.gz	OSKABVKVXAIQKF-LSDHHAIUSA-N	-1	3	353.378	1.508	20	10		FDCDHM
CCOC(=O)C1=CC[C@@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1	ZINC000862876156	972431887	/nfs/dbraw/zinc/43/18/87/972431887.db2.gz	JVSCXRYSQRUCHB-LLVKDONJSA-N	-1	3	368.411	1.145	20	10		FDCDHM
O=C(N[C@H](C(=O)Nc1cc[nH]n1)c1ccccc1)c1cccc(O)c1[O-]	ZINC000776648666	967942109	/nfs/dbraw/zinc/94/21/09/967942109.db2.gz	VXFJFHOVFIXTAJ-HNNXBMFYSA-N	-1	3	352.350	1.931	20	10		FDCDHM
CCOC(=O)N1CCN(S(=O)(=O)Nc2ccc([O-])c(Cl)c2)CC1	ZINC000776750753	969049305	/nfs/dbraw/zinc/04/93/05/969049305.db2.gz	KWJYMCIGECYRKC-UHFFFAOYSA-N	-1	3	363.823	1.476	20	10		FDCDHM
O=C1[C@H](NCc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCN1C1CCOCC1	ZINC000776232390	975227330	/nfs/dbraw/zinc/22/73/30/975227330.db2.gz	XBEBELINVRFJTC-CYBMUJFWSA-N	-1	3	369.805	1.823	20	10		FDCDHM
COc1ccc(N2CC[C@@H]([N-]S(=O)(=O)c3c[nH]c(=O)s3)C2)cc1	ZINC000867497089	976254749	/nfs/dbraw/zinc/25/47/49/976254749.db2.gz	MNCYRRCYDQTWTG-SNVBAGLBSA-N	-1	3	355.441	1.415	20	10		FDCDHM
C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1Cc1cc2c(cc1O)OC[C@H]2O	ZINC000848503085	976850832	/nfs/dbraw/zinc/85/08/32/976850832.db2.gz	WAHQBHJUCJZSRM-GAJTVXKRSA-N	-1	3	374.359	1.849	20	10		FDCDHM
COC(=O)c1cc([O-])c(F)cc1NS(=O)(=O)N1CCC(OC)CC1	ZINC000849309623	977414572	/nfs/dbraw/zinc/41/45/72/977414572.db2.gz	JRTZQVLCRMCTSY-UHFFFAOYSA-N	-1	3	362.379	1.085	20	10		FDCDHM
CN1CCN(c2ccc(CNC(=O)c3c(F)ccc(O)c3[O-])cc2)CC1	ZINC000881853806	980218177	/nfs/dbraw/zinc/21/81/77/980218177.db2.gz	LALDULBZHBKTAE-UHFFFAOYSA-N	-1	3	359.401	1.919	20	10		FDCDHM
COC(=O)[C@H]1CC[C@@H](C(=O)OC)N(Cc2cc(F)cc(C(C)=O)c2[O-])C1	ZINC000859598506	982936904	/nfs/dbraw/zinc/93/69/04/982936904.db2.gz	GJXVPSLROZQYHZ-NHYWBVRUSA-N	-1	3	367.373	1.661	20	10		FDCDHM
O=C(C=Cc1ccc(O)c(O)c1)NCc1ccc(-c2nnn[n-]2)cc1F	ZINC000826400908	983074724	/nfs/dbraw/zinc/07/47/24/983074724.db2.gz	KXTSCGODVHKUQJ-KXFIGUGUSA-N	-1	3	355.329	1.747	20	10		FDCDHM
O=C(C=Cc1ccc(O)c(O)c1)NCc1ccc(-c2nn[n-]n2)cc1F	ZINC000826400908	983074735	/nfs/dbraw/zinc/07/47/35/983074735.db2.gz	KXTSCGODVHKUQJ-KXFIGUGUSA-N	-1	3	355.329	1.747	20	10		FDCDHM
COc1c([O-])c(CN2CCCN(c3ncccn3)CC2)ccc1[N+](=O)[O-]	ZINC000365798419	988091868	/nfs/dbraw/zinc/09/18/68/988091868.db2.gz	UQBRESVHQFRONW-UHFFFAOYSA-N	-1	3	359.386	1.811	20	10		FDCDHM
C[C@@H]1CN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)C[C@H]1C(=O)[O-]	ZINC001599857377	989111286	/nfs/dbraw/zinc/11/12/86/989111286.db2.gz	LODYMLBHWWBUSV-XYPHTWIQSA-N	-1	3	362.474	1.717	20	10		FDCDHM
Cc1nc(CN(C)[C@H]2CCCN(C(=O)c3cccc(O)c3[O-])CC2)no1	ZINC000369879242	989266579	/nfs/dbraw/zinc/26/65/79/989266579.db2.gz	YBLRYUYLSSRKFR-ZDUSSCGKSA-N	-1	3	360.414	1.916	20	10		FDCDHM
C[N@H+](Cc1ccc(OCC(=O)[O-])cc1)Cc1cc2c(cc1[O-])OC[C@@H]2O	ZINC001598523996	992696670	/nfs/dbraw/zinc/69/66/70/992696670.db2.gz	UEVPWAFGEFQPCB-KRWDZBQOSA-N	-1	3	359.378	1.913	20	10		FDCDHM
C[N@@H+](Cc1ccc(OCC(=O)[O-])cc1)Cc1cc2c(cc1[O-])OC[C@@H]2O	ZINC001598523996	992696673	/nfs/dbraw/zinc/69/66/73/992696673.db2.gz	UEVPWAFGEFQPCB-KRWDZBQOSA-N	-1	3	359.378	1.913	20	10		FDCDHM
COc1c([O-])c(CN2CCN(c3nccnc3C)CC2)ccc1[N+](=O)[O-]	ZINC000374215743	992699413	/nfs/dbraw/zinc/69/94/13/992699413.db2.gz	GKFMDYRAXXLSPS-UHFFFAOYSA-N	-1	3	359.386	1.730	20	10		FDCDHM
COC(=O)/C=C/c1ccc(N2CCN(C)C[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])c1	ZINC001598834609	996472089	/nfs/dbraw/zinc/47/20/89/996472089.db2.gz	LMULTSCFOYYRIB-DIECRNLCSA-N	-1	3	363.370	1.234	20	10		FDCDHM
CC(C)(C)OC(=O)N1CC(OCC(=O)NCc2c([O-])cccc2F)C1	ZINC000928705926	1001632123	/nfs/dbraw/zinc/63/21/23/1001632123.db2.gz	OYYOEMWDPKMRMD-UHFFFAOYSA-N	-1	3	354.378	1.783	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CCCc3c[nH]nc32)c1	ZINC000269017715	674105630	/nfs/dbraw/zinc/10/56/30/674105630.db2.gz	IZXWOHXZQMBEEU-LBPRGKRZSA-N	-1	3	350.400	1.294	20	10		FDCDHM
CCCNC(=O)CN(CCC)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000271209838	674322821	/nfs/dbraw/zinc/32/28/21/674322821.db2.gz	CYAXVXHNUKERCE-UHFFFAOYSA-N	-1	3	371.459	1.142	20	10		FDCDHM
CC(C)(C)NC(=O)NC(=O)CN(Cc1ccccc1[O-])C[C@H]1CCCO1	ZINC000070976263	522069696	/nfs/dbraw/zinc/06/96/96/522069696.db2.gz	CORPLNACEQUDQS-OAHLLOKOSA-N	-1	3	363.458	1.998	20	10		FDCDHM
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)[C@]1(O)CCSC1	ZINC000158648251	524505856	/nfs/dbraw/zinc/50/58/56/524505856.db2.gz	RJOGEJSFGQRXON-PBHICJAKSA-N	-1	3	370.902	1.994	20	10		FDCDHM
Cc1cc(C(=O)Nc2nnc(SCCO)[n-]2)c(C)n1-c1ccccn1	ZINC000155401522	525855064	/nfs/dbraw/zinc/85/50/64/525855064.db2.gz	TXSXMQFZMLIQRZ-UHFFFAOYSA-N	-1	3	358.427	1.944	20	10		FDCDHM
Cc1cc(C(=O)Nc2nc(SCCO)n[n-]2)c(C)n1-c1ccccn1	ZINC000155401522	525855072	/nfs/dbraw/zinc/85/50/72/525855072.db2.gz	TXSXMQFZMLIQRZ-UHFFFAOYSA-N	-1	3	358.427	1.944	20	10		FDCDHM
Cc1cc(C(=O)Nc2n[n-]c(SCCO)n2)c(C)n1-c1ccccn1	ZINC000155401522	525855079	/nfs/dbraw/zinc/85/50/79/525855079.db2.gz	TXSXMQFZMLIQRZ-UHFFFAOYSA-N	-1	3	358.427	1.944	20	10		FDCDHM
O=S(=O)(CCNCc1cccc(Cl)c1[O-])NC[C@H]1CCCCO1	ZINC000182252669	526111892	/nfs/dbraw/zinc/11/18/92/526111892.db2.gz	HZPYDQFPQLNCJE-CYBMUJFWSA-N	-1	3	362.879	1.624	20	10		FDCDHM
NC(=O)NCCC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1	ZINC000134262281	526140820	/nfs/dbraw/zinc/14/08/20/526140820.db2.gz	HTRZLBBGBQOIRR-CYBMUJFWSA-N	-1	3	354.838	1.185	20	10		FDCDHM
CN1C[C@H](C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)CC1=O	ZINC000134265161	526143438	/nfs/dbraw/zinc/14/34/38/526143438.db2.gz	VFZNKASMASXICX-UKRRQHHQSA-N	-1	3	365.861	1.605	20	10		FDCDHM
CC1(C)[C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])[C@H]2CCO[C@@H]21	ZINC000266027146	537184392	/nfs/dbraw/zinc/18/43/92/537184392.db2.gz	VOAIOFWDAJRABY-HONMWMINSA-N	-1	3	354.428	1.307	20	10		FDCDHM
CC(C)[C@H](O)C(C)(C)CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000270018715	537270438	/nfs/dbraw/zinc/27/04/38/537270438.db2.gz	DUTCBCNTTDLHTF-AWEZNQCLSA-N	-1	3	358.460	1.537	20	10		FDCDHM
C[C@@H](O)C[C@@H]1CCCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000279587988	537350166	/nfs/dbraw/zinc/35/01/66/537350166.db2.gz	FIIHXRMHUHUUBT-YPMHNXCESA-N	-1	3	356.444	1.529	20	10		FDCDHM
CCN(C)C(=O)[C@H](C)N1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O	ZINC000279937849	537359988	/nfs/dbraw/zinc/35/99/88/537359988.db2.gz	BCRLHUFMXQPSFO-JTQLQIEISA-N	-1	3	353.806	1.677	20	10		FDCDHM
CN1CCc2cc(CNC(=O)C[N-]S(=O)(=O)c3cccs3)ccc21	ZINC000372302094	537914990	/nfs/dbraw/zinc/91/49/90/537914990.db2.gz	QKDZHJOJGPMAMJ-UHFFFAOYSA-N	-1	3	365.480	1.335	20	10		FDCDHM
CN(Cc1ccc(N2CCOCC2)cc1)c1ncccc1-c1nnn[n-]1	ZINC000821610776	599322786	/nfs/dbraw/zinc/32/27/86/599322786.db2.gz	FACHXHBIEVNNCY-UHFFFAOYSA-N	-1	3	351.414	1.735	20	10		FDCDHM
CN(Cc1ccc(N2CCOCC2)cc1)c1ncccc1-c1nn[n-]n1	ZINC000821610776	599322788	/nfs/dbraw/zinc/32/27/88/599322788.db2.gz	FACHXHBIEVNNCY-UHFFFAOYSA-N	-1	3	351.414	1.735	20	10		FDCDHM
CNC(=O)c1cncc(C=CC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)c1	ZINC000826073613	607442662	/nfs/dbraw/zinc/44/26/62/607442662.db2.gz	YZFAKIBFEWJNCF-FPYGCLRLSA-N	-1	3	363.381	1.298	20	10		FDCDHM
CNC(=O)c1cncc(C=CC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)c1	ZINC000826073613	607442663	/nfs/dbraw/zinc/44/26/63/607442663.db2.gz	YZFAKIBFEWJNCF-FPYGCLRLSA-N	-1	3	363.381	1.298	20	10		FDCDHM
Cc1cc(C(=O)N(CCO)C2CC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1	ZINC000826257622	607709442	/nfs/dbraw/zinc/70/94/42/607709442.db2.gz	JQBIEQFVLQOVOT-UHFFFAOYSA-N	-1	3	366.425	1.871	20	10		FDCDHM
Cn1cc(-c2nnn[n-]2)cc1C(=O)NCc1c(O)ccc2c1CCCC2	ZINC000822641659	606293630	/nfs/dbraw/zinc/29/36/30/606293630.db2.gz	VZXLBWCGLVVNHC-UHFFFAOYSA-N	-1	3	352.398	1.720	20	10		FDCDHM
Cn1cc(-c2nn[n-]n2)cc1C(=O)NCc1c(O)ccc2c1CCCC2	ZINC000822641659	606293631	/nfs/dbraw/zinc/29/36/31/606293631.db2.gz	VZXLBWCGLVVNHC-UHFFFAOYSA-N	-1	3	352.398	1.720	20	10		FDCDHM
CCN(C[C@H](O)C(F)(F)F)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000275128517	674606806	/nfs/dbraw/zinc/60/68/06/674606806.db2.gz	JWYCOQACULEVID-NSHDSACASA-N	-1	3	370.349	1.149	20	10		FDCDHM
CCOC1CC(CCNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1	ZINC000276808742	674773565	/nfs/dbraw/zinc/77/35/65/674773565.db2.gz	BUHLKBYYYUPWSD-UHFFFAOYSA-N	-1	3	356.444	1.699	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCOc2ccccc2)c1	ZINC000055091972	671227317	/nfs/dbraw/zinc/22/73/17/671227317.db2.gz	DOYNVKNHWMFOAV-UHFFFAOYSA-N	-1	3	350.396	1.573	20	10		FDCDHM
C[C@@H](O)C[C@H]1CCCCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000287602663	675918758	/nfs/dbraw/zinc/91/87/58/675918758.db2.gz	YKGBAMFVZXYBKU-TZMCWYRMSA-N	-1	3	370.471	1.919	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCc2cccc(O)c2)c1	ZINC000116404063	671657185	/nfs/dbraw/zinc/65/71/85/671657185.db2.gz	WKZSERIRBIHFJJ-UHFFFAOYSA-N	-1	3	350.396	1.442	20	10		FDCDHM
COC(=O)CCN1CCN(Cc2cc(F)cc(C(C)=O)c2[O-])[C@@H](C)C1	ZINC000182124688	672207644	/nfs/dbraw/zinc/20/76/44/672207644.db2.gz	PZSDBBNMJKASBL-LBPRGKRZSA-N	-1	3	352.406	1.803	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H](c3ncc[nH]3)C2)c1	ZINC000263923759	672891128	/nfs/dbraw/zinc/89/11/28/672891128.db2.gz	HFGOKTODXOQMEM-LLVKDONJSA-N	-1	3	364.427	1.507	20	10		FDCDHM
COC(=O)CN(Cc1nnc2n1CCOC2)Cc1cc(Cl)ccc1[O-]	ZINC000281237100	675503154	/nfs/dbraw/zinc/50/31/54/675503154.db2.gz	IJIFPLGFRGWPAJ-UHFFFAOYSA-N	-1	3	366.805	1.343	20	10		FDCDHM
CCc1nnc(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])s1	ZINC000292268624	676292785	/nfs/dbraw/zinc/29/27/85/676292785.db2.gz	QAUUTGOJDKSHQZ-UHFFFAOYSA-N	-1	3	356.429	1.108	20	10		FDCDHM
CCOC(=O)N1CCCN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CC1	ZINC000373920698	678068629	/nfs/dbraw/zinc/06/86/29/678068629.db2.gz	GWHCCSJOKNOWLS-UHFFFAOYSA-N	-1	3	353.375	1.973	20	10		FDCDHM
CC(=O)c1cc(F)cc(CN2CCN([C@@H](C)C(=O)NC3CC3)CC2)c1[O-]	ZINC000177242289	785262860	/nfs/dbraw/zinc/26/28/60/785262860.db2.gz	FMMQYRNTFXQXMD-LBPRGKRZSA-N	-1	3	363.433	1.519	20	10		FDCDHM
O=C(c1cccc(O)c1[O-])N1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1	ZINC000280781227	818306395	/nfs/dbraw/zinc/30/63/95/818306395.db2.gz	PSJSXZXAVQBWAY-AEFFLSMTSA-N	-1	3	354.406	1.823	20	10		FDCDHM
O=S(=O)(NC[C@H]1CCCN(Cc2cc(F)cc(F)c2[O-])C1)C1CC1	ZINC000894785539	818448614	/nfs/dbraw/zinc/44/86/14/818448614.db2.gz	VWJHHVWZIMBFKK-LLVKDONJSA-N	-1	3	360.426	1.964	20	10		FDCDHM
Cc1nnc(CN2CCN(Cc3ccc(Br)cc3[O-])CC2)[nH]1	ZINC000895260527	822326688	/nfs/dbraw/zinc/32/66/88/822326688.db2.gz	CTCHQXQCGDZBTG-UHFFFAOYSA-N	-1	3	366.263	1.899	20	10		FDCDHM
CN(C)c1ccc([C@H](CNC(=O)C[C@@]2(C(=O)[O-])CCOC2)N(C)C)cc1	ZINC000899854266	846787255	/nfs/dbraw/zinc/78/72/55/846787255.db2.gz	HYOVQGQYPAWIKC-LPHOPBHVSA-N	-1	3	363.458	1.353	20	10		FDCDHM
CN(c1ccc(CNC(=O)c2[nH]c(=O)[n-]c(=O)c2N)cc1)C1CCCCC1	ZINC000172713580	865752716	/nfs/dbraw/zinc/75/27/16/865752716.db2.gz	BUFRYDDLZPAXBE-UHFFFAOYSA-N	-1	3	371.441	1.344	20	10		FDCDHM
O=C(C1CCCC1)N1CC(S(=O)(=O)NCc2c([O-])cccc2F)C1	ZINC000921452404	888015743	/nfs/dbraw/zinc/01/57/43/888015743.db2.gz	OBVNAGPCZHSBLM-UHFFFAOYSA-N	-1	3	356.419	1.352	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCO[C@H](C(F)(F)F)C2)c1	ZINC000740128113	925345092	/nfs/dbraw/zinc/34/50/92/925345092.db2.gz	LJPQYXJGZOFCCM-NSHDSACASA-N	-1	3	368.333	1.167	20	10		FDCDHM
C[C@H](C[C@@H](O)c1ccco1)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000769985526	929784120	/nfs/dbraw/zinc/78/41/20/929784120.db2.gz	JWCMXDQIZFGCFS-QMTHXVAHSA-N	-1	3	368.411	1.599	20	10		FDCDHM
Cc1c(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)nnn1C	ZINC000771058567	930406878	/nfs/dbraw/zinc/40/68/78/930406878.db2.gz	NMTMLSOAXAOGNB-AWEZNQCLSA-N	-1	3	363.849	1.877	20	10		FDCDHM
CCOC(=O)CSc1nnc(NC(=O)c2cccc(O)c2[O-])s1	ZINC000790523910	933590313	/nfs/dbraw/zinc/59/03/13/933590313.db2.gz	BHTNOSASMRBAJQ-UHFFFAOYSA-N	-1	3	355.397	1.857	20	10		FDCDHM
O=C(N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2c2ccccc2)C1)c1cccc(O)c1[O-]	ZINC000790809243	933728997	/nfs/dbraw/zinc/72/89/97/933728997.db2.gz	YPWJSLVAUIVZOU-FVQBIDKESA-N	-1	3	352.390	1.985	20	10		FDCDHM
CS(=O)(=O)Nc1ccc(OCCNC(=O)c2cccc(O)c2[O-])cc1	ZINC000790918040	933778738	/nfs/dbraw/zinc/77/87/38/933778738.db2.gz	MBRHEBFEIUECME-UHFFFAOYSA-N	-1	3	366.395	1.278	20	10		FDCDHM
CNS(=O)(=O)NC1CCN(Cc2c([O-])ccc(Cl)c2F)CC1	ZINC000811500221	941139263	/nfs/dbraw/zinc/13/92/63/941139263.db2.gz	VMZGJMARVJSKNR-UHFFFAOYSA-N	-1	3	351.831	1.203	20	10		FDCDHM
O=C(NCc1ccc(N2CCC(O)CC2)cc1)c1cc(F)cc2n[n-]nc21	ZINC000856213004	970986577	/nfs/dbraw/zinc/98/65/77/970986577.db2.gz	UNMHAGYTBGQCRU-UHFFFAOYSA-N	-1	3	369.400	1.988	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H](C2CC2)C2CCOCC2)c1	ZINC000846421508	951053880	/nfs/dbraw/zinc/05/38/80/951053880.db2.gz	SGGROZVZBZBBET-MRXNPFEDSA-N	-1	3	368.455	1.699	20	10		FDCDHM
CC(C)N(C)C(=O)c1noc2c1CN(C(=O)c1cccc(O)c1[O-])CC2	ZINC001148213483	952647575	/nfs/dbraw/zinc/64/75/75/952647575.db2.gz	CELAHNAHRHHBRR-UHFFFAOYSA-N	-1	3	359.382	1.765	20	10		FDCDHM
O=C(c1cccc(O)c1[O-])N1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC001148212969	952647729	/nfs/dbraw/zinc/64/77/29/952647729.db2.gz	SJWCTUZRNODCFU-UHFFFAOYSA-N	-1	3	356.378	1.785	20	10		FDCDHM
O=C(c1cc(O)c([O-])c(O)c1)N1CCCn2cnc(Cn3cccn3)c2C1	ZINC001148584853	952758358	/nfs/dbraw/zinc/75/83/58/952758358.db2.gz	YCAYYPFDCBNTJB-UHFFFAOYSA-N	-1	3	369.381	1.291	20	10		FDCDHM
CN(C)S(=O)(=O)c1ccccc1NC(=O)c1cc(O)c([O-])c(O)c1	ZINC001148587323	952759805	/nfs/dbraw/zinc/75/98/05/952759805.db2.gz	HICMZKNBYAIPFS-UHFFFAOYSA-N	-1	3	352.368	1.306	20	10		FDCDHM
CO[C@@H]1CN(C(=O)c2cc(O)c([O-])c(O)c2)C[C@@H]1NC(=O)OC(C)(C)C	ZINC001148587628	952759973	/nfs/dbraw/zinc/75/99/73/952759973.db2.gz	JUUUIYKWLSLLAF-GXFFZTMASA-N	-1	3	368.386	1.168	20	10		FDCDHM
CN(C)c1ccc([C@H](CNC(=O)N(C)CCCC(=O)[O-])N(C)C)cc1	ZINC001353139638	958146788	/nfs/dbraw/zinc/14/67/88/958146788.db2.gz	UKFATNVIOMRHJA-INIZCTEOSA-N	-1	3	350.463	1.862	20	10		FDCDHM
C[C@@]1(O)C=C[C@H](O)C(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])=C1	ZINC001183541064	963098159	/nfs/dbraw/zinc/09/81/59/963098159.db2.gz	ASMKJOOLIOOWIO-KBXCAEBGSA-N	-1	3	360.797	1.818	20	10		FDCDHM
Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)NCc3c[nH]cn3)cc12	ZINC001184354593	963558969	/nfs/dbraw/zinc/55/89/69/963558969.db2.gz	HMJZSMSNBSJLBS-UHFFFAOYSA-N	-1	3	356.382	1.278	20	10		FDCDHM
Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)NCc3cnc[nH]3)cc12	ZINC001184354593	963558975	/nfs/dbraw/zinc/55/89/75/963558975.db2.gz	HMJZSMSNBSJLBS-UHFFFAOYSA-N	-1	3	356.382	1.278	20	10		FDCDHM
CCOCCS(=O)(=O)Nc1ccc([O-])c(I)c1	ZINC001187279802	965157636	/nfs/dbraw/zinc/15/76/36/965157636.db2.gz	MVEZIYSSQRVBRI-UHFFFAOYSA-N	-1	3	371.196	1.775	20	10		FDCDHM
CC(C)(CO)[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C1CC1	ZINC000848250804	976530435	/nfs/dbraw/zinc/53/04/35/976530435.db2.gz	NRUNXHSLXWFHPY-AWEZNQCLSA-N	-1	3	356.444	1.291	20	10		FDCDHM
CC[C@@H](NCc1nnc2n1CCNC2=O)c1ccc(C(F)(F)F)cc1[O-]	ZINC000883304659	982062375	/nfs/dbraw/zinc/06/23/75/982062375.db2.gz	BYVQKBQFYNWCIL-LLVKDONJSA-N	-1	3	369.347	1.987	20	10		FDCDHM
CNS(=O)(=O)C[C@H]1CCCN1Cc1c([O-])cccc1Br	ZINC000862250671	984284071	/nfs/dbraw/zinc/28/40/71/984284071.db2.gz	NOZQCEORZZVOPZ-SNVBAGLBSA-N	-1	3	363.277	1.668	20	10		FDCDHM
COC(=O)[C@@H](NCc1c([O-])cccc1Br)c1ccnn1C	ZINC000862400365	984375796	/nfs/dbraw/zinc/37/57/96/984375796.db2.gz	WFHLDPIWLGXGBA-ZDUSSCGKSA-N	-1	3	354.204	1.892	20	10		FDCDHM
CCOc1ccc(CN2CCN([C@]3(C(=O)[O-])CCOC3)CC2)c(O)c1	ZINC001597101887	986723829	/nfs/dbraw/zinc/72/38/29/986723829.db2.gz	HOYJCYLMXRTGGR-GOSISDBHSA-N	-1	3	350.415	1.152	20	10		FDCDHM
C[C@@H]([NH2+][C@@H]1CCN(CCN2CCOCC2)C1)c1cc(C(=O)[O-])ccc1[O-]	ZINC001593218164	994281539	/nfs/dbraw/zinc/28/15/39/994281539.db2.gz	GKWWTWNDEAEOOD-GDBMZVCRSA-N	-1	3	363.458	1.148	20	10		FDCDHM
C[C@H]([NH2+]C[C@@H]1CCC[C@]12NC(=O)N(C)C2=O)c1cc(C(=O)[O-])ccc1[O-]	ZINC001593252390	994506292	/nfs/dbraw/zinc/50/62/92/994506292.db2.gz	RSLZFENYXFFILS-RSNWOKGLSA-N	-1	3	361.398	1.462	20	10		FDCDHM
CC(=O)NC[C@@H]1CCn2ncc(C(=O)NCc3c([O-])cccc3F)c2C1	ZINC000928707335	1001632321	/nfs/dbraw/zinc/63/23/21/1001632321.db2.gz	CUGWWJVXBDMBNZ-GFCCVEGCSA-N	-1	3	360.389	1.356	20	10		FDCDHM
C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)NCc1c([O-])cccc1F)C2=O	ZINC000928710186	1001633052	/nfs/dbraw/zinc/63/30/52/1001633052.db2.gz	PPFQXKMSYAZUJH-BBATYDOGSA-N	-1	3	363.389	1.648	20	10		FDCDHM
COc1ccc(F)cc1CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000779127915	1007401522	/nfs/dbraw/zinc/40/15/22/1007401522.db2.gz	RXAQCWLMAQPLMP-UHFFFAOYSA-N	-1	3	368.386	1.841	20	10		FDCDHM
O=C(/C=C\c1ccc(O)c(O)c1)N1CCN(C(=O)c2ccc([O-])cc2)CC1	ZINC000779533411	1009808906	/nfs/dbraw/zinc/80/89/06/1009808906.db2.gz	XEIGTKYJLWDFTH-WAPJZHGLSA-N	-1	3	368.389	1.801	20	10		FDCDHM
COCCCNC(=O)CN(CC(=O)OC)Cc1cc(Cl)ccc1[O-]	ZINC000269660396	674111544	/nfs/dbraw/zinc/11/15/44/674111544.db2.gz	TXWHCJFSFYPXLY-UHFFFAOYSA-N	-1	3	358.822	1.173	20	10		FDCDHM
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CC[C@H]1NC(=O)[N-]C1=O	ZINC000053640901	523481250	/nfs/dbraw/zinc/48/12/50/523481250.db2.gz	LMXOGKAKFVCWLG-MRXNPFEDSA-N	-1	3	358.442	1.624	20	10		FDCDHM
O=C(CCn1cncn1)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1	ZINC000158034174	524389062	/nfs/dbraw/zinc/38/90/62/524389062.db2.gz	ZNWGZVRHPNDLNH-HNNXBMFYSA-N	-1	3	363.849	1.808	20	10		FDCDHM
C[C@@H](CCc1cccn1C)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000174374085	524556551	/nfs/dbraw/zinc/55/65/51/524556551.db2.gz	LUEYHUACUSVHFZ-LBPRGKRZSA-N	-1	3	365.455	1.853	20	10		FDCDHM
COc1cc(Br)cc(CN2CCCN(C(N)=O)CC2)c1[O-]	ZINC000092754003	524914144	/nfs/dbraw/zinc/91/41/44/524914144.db2.gz	JSDLWQVSFDEZMG-UHFFFAOYSA-N	-1	3	358.236	1.750	20	10		FDCDHM
COCC(=O)N1CCN(Cc2cc(Br)cc(C)c2[O-])CC1	ZINC000179673352	525615252	/nfs/dbraw/zinc/61/52/52/525615252.db2.gz	XAAPSNOFEYVHFK-UHFFFAOYSA-N	-1	3	357.248	1.754	20	10		FDCDHM
CN(C)c1ccc(CN(Cc2ccco2)C(=O)CN2CC(=O)[N-]C2=O)cc1	ZINC000264880950	537148768	/nfs/dbraw/zinc/14/87/68/537148768.db2.gz	SUDPWBMPJPHARJ-UHFFFAOYSA-N	-1	3	370.409	1.426	20	10		FDCDHM
COc1ccc(C[C@](C)(O)CNC(=O)c2cccc(O)c2[O-])cc1OC	ZINC000291788316	537676659	/nfs/dbraw/zinc/67/66/59/537676659.db2.gz	GEBVREQHRNUYOA-IBGZPJMESA-N	-1	3	361.394	1.839	20	10		FDCDHM
Cc1ccc(C(=O)N2CCCNC(=O)[C@@H]2Cc2ccccc2)c([O-])c1O	ZINC000294476276	537702332	/nfs/dbraw/zinc/70/23/32/537702332.db2.gz	RFDXBKCYUYUVPN-INIZCTEOSA-N	-1	3	354.406	1.980	20	10		FDCDHM
COCCN(C(=O)C=Cc1cnn(C)c1)c1ccc(-c2nnn[n-]2)cc1	ZINC000736988388	599205433	/nfs/dbraw/zinc/20/54/33/599205433.db2.gz	LERBPBPIORPMML-FPYGCLRLSA-N	-1	3	353.386	1.293	20	10		FDCDHM
COCCN(C(=O)C=Cc1cnn(C)c1)c1ccc(-c2nn[n-]n2)cc1	ZINC000736988388	599205436	/nfs/dbraw/zinc/20/54/36/599205436.db2.gz	LERBPBPIORPMML-FPYGCLRLSA-N	-1	3	353.386	1.293	20	10		FDCDHM
Cc1c(NC(=O)C(=O)N(C)Cc2ccccc2O)cccc1-c1nnn[n-]1	ZINC000822034571	607273833	/nfs/dbraw/zinc/27/38/33/607273833.db2.gz	HIWTVTGRMSWNNN-UHFFFAOYSA-N	-1	3	366.381	1.478	20	10		FDCDHM
Cc1c(NC(=O)C(=O)N(C)Cc2ccccc2O)cccc1-c1nn[n-]n1	ZINC000822034571	607273834	/nfs/dbraw/zinc/27/38/34/607273834.db2.gz	HIWTVTGRMSWNNN-UHFFFAOYSA-N	-1	3	366.381	1.478	20	10		FDCDHM
Cc1cc(C(=O)NC(C)(C)C(N)=O)c(C)n1-c1ccc(-c2nn[n-]n2)cc1	ZINC000737233787	598612045	/nfs/dbraw/zinc/61/20/45/598612045.db2.gz	KUAFSRXXGGMTFC-UHFFFAOYSA-N	-1	3	367.413	1.268	20	10		FDCDHM
COC(=O)COC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C	ZINC000736930598	598621897	/nfs/dbraw/zinc/62/18/97/598621897.db2.gz	FZQZURJWUCSOQY-UHFFFAOYSA-N	-1	3	355.354	1.604	20	10		FDCDHM
O=C(C1=CC(=O)CS1)N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1	ZINC000738247536	598625038	/nfs/dbraw/zinc/62/50/38/598625038.db2.gz	SNTIJMADUUSEOR-UHFFFAOYSA-N	-1	3	374.401	1.735	20	10		FDCDHM
O=C(C1=CC(=O)CS1)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1	ZINC000738247536	598625040	/nfs/dbraw/zinc/62/50/40/598625040.db2.gz	SNTIJMADUUSEOR-UHFFFAOYSA-N	-1	3	374.401	1.735	20	10		FDCDHM
COc1ccc(O)c([C@H](C)NC(=O)COc2ccccc2-c2nnn[n-]2)c1	ZINC000737105231	598779266	/nfs/dbraw/zinc/77/92/66/598779266.db2.gz	FOSHWNNPTYACHK-NSHDSACASA-N	-1	3	369.381	1.837	20	10		FDCDHM
COc1ccc(O)c([C@H](C)NC(=O)COc2ccccc2-c2nn[n-]n2)c1	ZINC000737105231	598779268	/nfs/dbraw/zinc/77/92/68/598779268.db2.gz	FOSHWNNPTYACHK-NSHDSACASA-N	-1	3	369.381	1.837	20	10		FDCDHM
Cc1cc(C(=O)NCC[C@@H](C)O)c(C)n1-c1ccc(-c2nn[n-]n2)cc1	ZINC000737235372	607224039	/nfs/dbraw/zinc/22/40/39/607224039.db2.gz	UDQIPRWKQHCAJM-GFCCVEGCSA-N	-1	3	354.414	1.775	20	10		FDCDHM
Cc1ccc([C@H](O)CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])o1	ZINC000265907690	673016025	/nfs/dbraw/zinc/01/60/25/673016025.db2.gz	BINRCFMBBKSBBK-CYBMUJFWSA-N	-1	3	354.384	1.129	20	10		FDCDHM
COC(=O)CC1(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCCC1	ZINC000280077327	675380233	/nfs/dbraw/zinc/38/02/33/675380233.db2.gz	QCBFPOTWCKXYPP-UHFFFAOYSA-N	-1	3	370.427	1.369	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H]2c3ccccc3C[C@@H]2O)c1	ZINC000367524810	677493274	/nfs/dbraw/zinc/49/32/74/677493274.db2.gz	OSGKWRNXAQXRHH-HOTGVXAUSA-N	-1	3	362.407	1.152	20	10		FDCDHM
CC(C)OC[C@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCO1	ZINC000372174202	677860503	/nfs/dbraw/zinc/86/05/03/677860503.db2.gz	WRNBJMQZYQSYCG-CYBMUJFWSA-N	-1	3	372.443	1.030	20	10		FDCDHM
CC1(C)[C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])[C@@H]2CCCO[C@@H]21	ZINC000374132734	678072810	/nfs/dbraw/zinc/07/28/10/678072810.db2.gz	VYFUYQPLRJWAJP-GLQYFDAESA-N	-1	3	368.455	1.697	20	10		FDCDHM
O=C(c1ccc2c(c1)OCO2)N1CCN(C(=O)c2cccc(O)c2[O-])CC1	ZINC000274885799	770946741	/nfs/dbraw/zinc/94/67/41/770946741.db2.gz	JZGYTHRROAJXQT-UHFFFAOYSA-N	-1	3	370.361	1.425	20	10		FDCDHM
CC(=O)c1cc(F)cc(CN2CCN(C3(C(N)=O)CCCC3)CC2)c1[O-]	ZINC000364218536	795474341	/nfs/dbraw/zinc/47/43/41/795474341.db2.gz	RBIWPYSBXAYHDS-UHFFFAOYSA-N	-1	3	363.433	1.650	20	10		FDCDHM
O=S(=O)(c1cc[nH]n1)N1CCN(Cc2ccc3ccccc3c2[O-])CC1	ZINC000894979360	819430839	/nfs/dbraw/zinc/43/08/39/819430839.db2.gz	YNBRNFHXFRNBHH-UHFFFAOYSA-N	-1	3	372.450	1.775	20	10		FDCDHM
COCCc1noc(CC2CCN(C(=O)c3cccc(O)c3[O-])CC2)n1	ZINC000529731733	829991756	/nfs/dbraw/zinc/99/17/56/829991756.db2.gz	ACASCUAPHQJPQO-UHFFFAOYSA-N	-1	3	361.398	1.765	20	10		FDCDHM
O=C(NCCN1CCN(c2ccc(F)cc2)CC1)c1cccc(O)c1[O-]	ZINC000186921606	881850970	/nfs/dbraw/zinc/85/09/70/881850970.db2.gz	VXUOTVBVTVPWDO-UHFFFAOYSA-N	-1	3	359.401	1.789	20	10		FDCDHM
CCC(CC)(CCO)CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000762888796	876897332	/nfs/dbraw/zinc/89/73/32/876897332.db2.gz	AIFMTQWJSAMQBM-UHFFFAOYSA-N	-1	3	358.460	1.682	20	10		FDCDHM
COC(=O)CN(CCC(=O)N1CCOCC1)Cc1cc(Cl)ccc1[O-]	ZINC000731844454	918669789	/nfs/dbraw/zinc/66/97/89/918669789.db2.gz	BIOQJKSDGTWQLB-UHFFFAOYSA-N	-1	3	370.833	1.270	20	10		FDCDHM
CCOC(=O)c1cnn2c1[nH]c(COC(=O)c1cncc([O-])c1)cc2=O	ZINC000732394953	919549418	/nfs/dbraw/zinc/54/94/18/919549418.db2.gz	XOOZMUYQNHNLLH-UHFFFAOYSA-N	-1	3	358.310	1.069	20	10		FDCDHM
COC[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccccc1	ZINC000769755337	929644785	/nfs/dbraw/zinc/64/47/85/929644785.db2.gz	XOQRFQMOEWUTFQ-OAHLLOKOSA-N	-1	3	364.423	1.881	20	10		FDCDHM
COC(=O)[C@H](O)C1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1	ZINC000770330923	929953328	/nfs/dbraw/zinc/95/33/28/929953328.db2.gz	CUNIDAYRDHHZNU-CQSZACIVSA-N	-1	3	358.778	1.700	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H](CO)c2ccsc2)c1	ZINC000771536464	930720067	/nfs/dbraw/zinc/72/00/67/930720067.db2.gz	OOQPIMNBODDLNX-GFCCVEGCSA-N	-1	3	356.425	1.289	20	10		FDCDHM
CC(=O)N1CCN(c2cccc(NC(=O)c3ccc(N)cc3[O-])c2)CC1	ZINC000817998602	943101093	/nfs/dbraw/zinc/10/10/93/943101093.db2.gz	JTUASUOLMQCGAA-UHFFFAOYSA-N	-1	3	354.410	1.895	20	10		FDCDHM
COC(=O)[C@@]12COC[C@@H]1CN(Cc1cc(Br)c(F)cc1[O-])C2	ZINC001144292362	948572866	/nfs/dbraw/zinc/57/28/66/948572866.db2.gz	CWYPZGWAIMJRAQ-BONVTDFDSA-N	-1	3	374.206	1.915	20	10		FDCDHM
CC1(C(=O)NCCC2=CCN(c3ncccc3-c3nnn[n-]3)CC2)CC1	ZINC001575595115	950348235	/nfs/dbraw/zinc/34/82/35/950348235.db2.gz	NAKJQRWAWBOYHM-UHFFFAOYSA-N	-1	3	353.430	1.705	20	10		FDCDHM
CC1(C(=O)NCCC2=CCN(c3ncccc3-c3nn[n-]n3)CC2)CC1	ZINC001575595115	950348257	/nfs/dbraw/zinc/34/82/57/950348257.db2.gz	NAKJQRWAWBOYHM-UHFFFAOYSA-N	-1	3	353.430	1.705	20	10		FDCDHM
Nc1ccc(I)c(NC(=O)c2cccc(O)c2[O-])n1	ZINC001148212952	952647696	/nfs/dbraw/zinc/64/76/96/952647696.db2.gz	QXUYXXMFHCSKGG-UHFFFAOYSA-N	-1	3	371.134	1.932	20	10		FDCDHM
O=C(c1cccc(O)c1[O-])N1Cc2nccn2C[C@@H](Cn2cccn2)C1	ZINC001148213898	952648412	/nfs/dbraw/zinc/64/84/12/952648412.db2.gz	MUOWTPNHEGBDGA-CYBMUJFWSA-N	-1	3	353.382	1.463	20	10		FDCDHM
CC(=O)NC[C@H]1c2ncn(C(C)C)c2CCN1C(=O)c1cccc(O)c1[O-]	ZINC001148214852	952649326	/nfs/dbraw/zinc/64/93/26/952649326.db2.gz	ZZBMNNRBXSOHBC-HNNXBMFYSA-N	-1	3	372.425	1.751	20	10		FDCDHM
O=C(NCC1CCN(C(=O)c2cccnc2)CC1)c1cccc(O)c1[O-]	ZINC001148224391	952654327	/nfs/dbraw/zinc/65/43/27/952654327.db2.gz	JHKWIDIRHVLRJJ-UHFFFAOYSA-N	-1	3	355.394	1.775	20	10		FDCDHM
C[C@H](NC(=O)c1cccc(O)c1[O-])C(=O)N[C@@H](C)C(=O)OC(C)(C)C	ZINC001148225968	952655057	/nfs/dbraw/zinc/65/50/57/952655057.db2.gz	ZJNYRZRTMNMPAM-UWVGGRQHSA-N	-1	3	352.387	1.063	20	10		FDCDHM
COC(=O)c1cccc(C(=O)OC)c1NC(=O)c1cc(O)c([O-])c(O)c1	ZINC001148586397	952759138	/nfs/dbraw/zinc/75/91/38/952759138.db2.gz	NICBIARTXDGPSI-UHFFFAOYSA-N	-1	3	361.306	1.629	20	10		FDCDHM
CN(C)c1ccc([C@@H](CNC(=O)N2CCC[C@@H](C(=O)[O-])C2)N(C)C)cc1	ZINC001343130382	958030209	/nfs/dbraw/zinc/03/02/09/958030209.db2.gz	BZQUOVKSOKEIQR-NVXWUHKLSA-N	-1	3	362.474	1.862	20	10		FDCDHM
COc1c([O-])c(C[NH2+][C@H]2CCN(c3cc(=O)[n-]cn3)C2)ccc1[N+](=O)[O-]	ZINC001184187322	963468629	/nfs/dbraw/zinc/46/86/29/963468629.db2.gz	DUISPKQYAHAHAC-NSHDSACASA-N	-1	3	361.358	1.173	20	10		FDCDHM
CC[C@H](COCC1CC1)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000855279641	970268165	/nfs/dbraw/zinc/26/81/65/970268165.db2.gz	BJSZWFLVYFCPNH-GFCCVEGCSA-N	-1	3	356.444	1.699	20	10		FDCDHM
COC(=O)C[C@@H]1CS(=O)(=O)CCN1Cc1c([O-])ccc2ccccc21	ZINC000872677166	987957630	/nfs/dbraw/zinc/95/76/30/987957630.db2.gz	HUVZBSMGMYQBHY-CQSZACIVSA-N	-1	3	363.435	1.708	20	10		FDCDHM
CCn1nc2c(cc1=O)CN(Cc1ccc([N+](=O)[O-])c(OC)c1[O-])CC2	ZINC000364757261	989771940	/nfs/dbraw/zinc/77/19/40/989771940.db2.gz	GXJDWZNPZNZCBY-UHFFFAOYSA-N	-1	3	360.370	1.444	20	10		FDCDHM
CN(C)c1ccc([C@@H](CNC(=O)Nc2c(C(=O)[O-])cnn2C)N(C)C)cc1	ZINC001598313834	991293165	/nfs/dbraw/zinc/29/31/65/991293165.db2.gz	ZFPBRSLUWVUEBM-OAHLLOKOSA-N	-1	3	374.445	1.609	20	10		FDCDHM
COc1ccc(N2CCN(C(=O)c3ccc(N)cc3[O-])CC2)c(OC)c1	ZINC000877227914	993118851	/nfs/dbraw/zinc/11/88/51/993118851.db2.gz	QIQYLQRAZLCWPF-UHFFFAOYSA-N	-1	3	357.410	1.954	20	10		FDCDHM
CN1CCN(C2CCN(c3ccc(/C=C/C(=O)[O-])cc3[N+](=O)[O-])CC2)CC1	ZINC001598614669	993856161	/nfs/dbraw/zinc/85/61/61/993856161.db2.gz	BEQOYBAQISLYMQ-HWKANZROSA-N	-1	3	374.441	1.909	20	10		FDCDHM
C[C@H]([NH2+]C[C@@]1(CO)COCC2(CCC2)N1C)c1cc(C(=O)[O-])ccc1[O-]	ZINC001593248119	994468572	/nfs/dbraw/zinc/46/85/72/994468572.db2.gz	IZRQCFZMODUQPS-ORAYPTAESA-N	-1	3	364.442	1.357	20	10		FDCDHM
COc1ccc(N2CCN(CCNC(=O)c3cncc([O-])c3)CC2)cc1	ZINC000264827848	997627290	/nfs/dbraw/zinc/62/72/90/997627290.db2.gz	GPOIKYZOTSVVFH-UHFFFAOYSA-N	-1	3	356.426	1.348	20	10		FDCDHM
CCCS(=O)(=O)N1CCCC[C@H]1C(=O)NCc1c([O-])cccc1F	ZINC000928712643	1001633442	/nfs/dbraw/zinc/63/34/42/1001633442.db2.gz	VEZUXPOHZNMFEP-AWEZNQCLSA-N	-1	3	358.435	1.742	20	10		FDCDHM
COC(=O)C(C)(C)N1CCN(Cc2cc(F)cc(C(C)=O)c2[O-])CC1	ZINC000778187682	1005616130	/nfs/dbraw/zinc/61/61/30/1005616130.db2.gz	CXGOJOJWGXBURF-UHFFFAOYSA-N	-1	3	352.406	1.803	20	10		FDCDHM
COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]Cc1ccc(OC)cc1O	ZINC000795362726	1006386627	/nfs/dbraw/zinc/38/66/27/1006386627.db2.gz	QGQPKYGPOVPYSA-UHFFFAOYSA-N	-1	3	369.370	1.805	20	10		FDCDHM
Cc1cc([O-])c(CN2CCN(C(=O)N3CCNCC3)CC2)c(Cl)c1	ZINC000530242719	539919358	/nfs/dbraw/zinc/91/93/58/539919358.db2.gz	OVXFMWIUVFJXFV-UHFFFAOYSA-N	-1	3	352.866	1.497	20	10		FDCDHM
Cc1c([C@H](C)NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cnn1C	ZINC000270979591	674294443	/nfs/dbraw/zinc/29/44/43/674294443.db2.gz	VHHUCINZBWQXJB-VIFPVBQESA-N	-1	3	352.416	1.297	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCCC[C@@H]2c2ncon2)c1	ZINC000271216667	674323731	/nfs/dbraw/zinc/32/37/31/674323731.db2.gz	BGZIPOQDGATDJF-GFCCVEGCSA-N	-1	3	366.399	1.514	20	10		FDCDHM
O=C(CCn1cncn1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1	ZINC000158034347	524389567	/nfs/dbraw/zinc/38/95/67/524389567.db2.gz	ZNWGZVRHPNDLNH-OAHLLOKOSA-N	-1	3	363.849	1.808	20	10		FDCDHM
CCN(Cc1cc(Br)ccc1[O-])S(=O)(=O)CCOC	ZINC000174065384	524509977	/nfs/dbraw/zinc/50/99/77/524509977.db2.gz	UDDSWWSJWAZVFJ-UHFFFAOYSA-N	-1	3	352.250	1.953	20	10		FDCDHM
Cc1cc(Br)cc(CN2CCN(C(=O)[C@@H](C)O)CC2)c1[O-]	ZINC000180497258	525711671	/nfs/dbraw/zinc/71/16/71/525711671.db2.gz	GWGSIVSQCHXLMK-LLVKDONJSA-N	-1	3	357.248	1.488	20	10		FDCDHM
CN(c1ccc(CNC(=O)C[C@@H]2NC(=O)[N-]C2=O)cc1)C1CCCCC1	ZINC000155076610	525734173	/nfs/dbraw/zinc/73/41/73/525734173.db2.gz	HSWBLDVEKRARCI-INIZCTEOSA-N	-1	3	358.442	1.670	20	10		FDCDHM
CS(=O)(=O)CCC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1	ZINC000134261603	526140979	/nfs/dbraw/zinc/14/09/79/526140979.db2.gz	KZVYPHRWOWZDCY-AWEZNQCLSA-N	-1	3	374.890	1.561	20	10		FDCDHM
CCCN(C(=O)[C@H](C)N(C)Cc1ccccc1[O-])[C@@H]1CCS(=O)(=O)C1	ZINC000109771460	526180452	/nfs/dbraw/zinc/18/04/52/526180452.db2.gz	UJBRRSGXIORGFU-GOEBONIOSA-N	-1	3	368.499	1.638	20	10		FDCDHM
COc1cc(Cl)cc(CN2CCN(CC(=O)N3CCCC3)CC2)c1[O-]	ZINC000184675104	536175176	/nfs/dbraw/zinc/17/51/76/536175176.db2.gz	MWILTLMSDGXMPR-UHFFFAOYSA-N	-1	3	367.877	1.794	20	10		FDCDHM
C[C@H](NCCS(=O)(=O)NC[C@H]1CCCCO1)c1ccc(F)cc1[O-]	ZINC000186019943	536223664	/nfs/dbraw/zinc/22/36/64/536223664.db2.gz	NOGKDFDZNLBJHP-GXTWGEPZSA-N	-1	3	360.451	1.670	20	10		FDCDHM
Cn1ccnc1[C@](O)(CCNC(=O)c1cccc(O)c1[O-])C(F)(F)F	ZINC000187001700	536252140	/nfs/dbraw/zinc/25/21/40/536252140.db2.gz	IPRICHAUOQORQU-CQSZACIVSA-N	-1	3	359.304	1.401	20	10		FDCDHM
O=C(Cc1ccccc1F)N1CCN(C(=O)c2cccc(O)c2[O-])CC1	ZINC000188297008	536289211	/nfs/dbraw/zinc/28/92/11/536289211.db2.gz	HAWXHCQCWYLIGI-UHFFFAOYSA-N	-1	3	358.369	1.764	20	10		FDCDHM
CCN(CC)c1ccc(CNC(=O)C(=O)[N-]c2cnns2)cc1F	ZINC000192014724	537218233	/nfs/dbraw/zinc/21/82/33/537218233.db2.gz	NXTQNZHJPATYEY-UHFFFAOYSA-N	-1	3	351.407	1.778	20	10		FDCDHM
CCC[C@@]1(CO)CCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000278167911	537269535	/nfs/dbraw/zinc/26/95/35/537269535.db2.gz	PVYQMWOKZMQMFD-INIZCTEOSA-N	-1	3	356.444	1.531	20	10		FDCDHM
CCN1CCN([C@@H]2CCN(Cc3ccc([N+](=O)[O-])c(OC)c3[O-])C2)CC1	ZINC000278207420	537280975	/nfs/dbraw/zinc/28/09/75/537280975.db2.gz	JTFKJALPYGTMTH-OAHLLOKOSA-N	-1	3	364.446	1.521	20	10		FDCDHM
O=S1(=O)CC[C@@H](NC2CCN(Cc3cccc(Cl)c3[O-])CC2)C1	ZINC000365234270	537457710	/nfs/dbraw/zinc/45/77/10/537457710.db2.gz	NFBWKSXWSPNCRR-CQSZACIVSA-N	-1	3	358.891	1.787	20	10		FDCDHM
COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)c1cc(OC)n(C)n1	ZINC000274853325	537533864	/nfs/dbraw/zinc/53/38/64/537533864.db2.gz	WELOBFSLCWMOCV-UHFFFAOYSA-N	-1	3	367.789	1.603	20	10		FDCDHM
COc1c([O-])c(CN2CCC[C@@H](S(=O)(=O)N(C)C)C2)ccc1[N+](=O)[O-]	ZINC000289116422	537555850	/nfs/dbraw/zinc/55/58/50/537555850.db2.gz	DFUDAFIKTWWLEL-GFCCVEGCSA-N	-1	3	373.431	1.165	20	10		FDCDHM
COc1c([O-])c(CN2CCN(CC(C)(C)O)[C@H](C)C2)ccc1[N+](=O)[O-]	ZINC000278118248	537629912	/nfs/dbraw/zinc/62/99/12/537629912.db2.gz	ATDHTSWQJUEFBD-GFCCVEGCSA-N	-1	3	353.419	1.586	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC3(CCOCC3)CC2)c1	ZINC000285658331	537742726	/nfs/dbraw/zinc/74/27/26/537742726.db2.gz	HKYCIKOWLSBMTE-UHFFFAOYSA-N	-1	3	368.455	1.797	20	10		FDCDHM
CCOC(=O)NCC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1	ZINC000366478280	537767921	/nfs/dbraw/zinc/76/79/21/537767921.db2.gz	ISALTEYZTLSJDU-AWEZNQCLSA-N	-1	3	369.849	1.872	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H]2[C@H]2CCCC2=O)c1	ZINC000272190385	674419746	/nfs/dbraw/zinc/41/97/46/674419746.db2.gz	NJNQHKMUCNDOGR-OCCSQVGLSA-N	-1	3	366.439	1.738	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H]2[C@@H]2CCCC2=O)c1	ZINC000272190376	674419776	/nfs/dbraw/zinc/41/97/76/674419776.db2.gz	NJNQHKMUCNDOGR-GXTWGEPZSA-N	-1	3	366.439	1.738	20	10		FDCDHM
Cc1cc(C(=O)NCc2cc[nH]n2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1	ZINC000737236165	598610913	/nfs/dbraw/zinc/61/09/13/598610913.db2.gz	FKYFGBRSFLXMRN-UHFFFAOYSA-N	-1	3	362.397	1.927	20	10		FDCDHM
CN(C)c1ccc(CN(C)c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1	ZINC000821589297	599312019	/nfs/dbraw/zinc/31/20/19/599312019.db2.gz	HHVGAYWESOIXAW-UHFFFAOYSA-N	-1	3	354.374	1.872	20	10		FDCDHM
CN(C)c1ccc(CN(C)c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1	ZINC000821589297	599312021	/nfs/dbraw/zinc/31/20/21/599312021.db2.gz	HHVGAYWESOIXAW-UHFFFAOYSA-N	-1	3	354.374	1.872	20	10		FDCDHM
Cc1cc(C(=O)N[C@@H](C)CC(N)=O)c(C)n1-c1ccc(-c2nn[n-]n2)cc1	ZINC000822167403	599404535	/nfs/dbraw/zinc/40/45/35/599404535.db2.gz	DTPWOPKOMTVYPS-JTQLQIEISA-N	-1	3	367.413	1.268	20	10		FDCDHM
COc1cccc(CNS(=O)(=O)c2ccccc2-c2nnn[n-]2)c1O	ZINC000826216085	607631787	/nfs/dbraw/zinc/63/17/87/607631787.db2.gz	JSZQGHCSGTZZLC-UHFFFAOYSA-N	-1	3	361.383	1.059	20	10		FDCDHM
COc1cccc(CNS(=O)(=O)c2ccccc2-c2nn[n-]n2)c1O	ZINC000826216085	607631788	/nfs/dbraw/zinc/63/17/88/607631788.db2.gz	JSZQGHCSGTZZLC-UHFFFAOYSA-N	-1	3	361.383	1.059	20	10		FDCDHM
C[C@H](NC(=O)[O-])[C@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2)CCO1	ZINC000833818800	605994534	/nfs/dbraw/zinc/99/45/34/605994534.db2.gz	MIFNFUOEBJSHBC-MAUKXSAKSA-N	-1	3	362.474	1.295	20	10		FDCDHM
CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc(-c2nnn[n-]2)cn1C	ZINC000821589182	606258299	/nfs/dbraw/zinc/25/82/99/606258299.db2.gz	AQNASRHREVBJPO-UHFFFAOYSA-N	-1	3	353.386	1.310	20	10		FDCDHM
CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc(-c2nn[n-]n2)cn1C	ZINC000821589182	606258301	/nfs/dbraw/zinc/25/83/01/606258301.db2.gz	AQNASRHREVBJPO-UHFFFAOYSA-N	-1	3	353.386	1.310	20	10		FDCDHM
COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c1	ZINC000826210501	609250642	/nfs/dbraw/zinc/25/06/42/609250642.db2.gz	UIUIBYQUERHOBL-HWPZZCPQSA-N	-1	3	369.381	1.492	20	10		FDCDHM
COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c1	ZINC000826210501	609250644	/nfs/dbraw/zinc/25/06/44/609250644.db2.gz	UIUIBYQUERHOBL-HWPZZCPQSA-N	-1	3	369.381	1.492	20	10		FDCDHM
COC(=O)CN(CC(=O)N(C)CC1CC1)Cc1cc(Cl)ccc1[O-]	ZINC000111238250	671631538	/nfs/dbraw/zinc/63/15/38/671631538.db2.gz	FHHWIZDTORCKDY-UHFFFAOYSA-N	-1	3	354.834	1.889	20	10		FDCDHM
COCCN(Cc1cc(F)cc(C(C)=O)c1[O-])[C@@H]1CCS(=O)(=O)C1	ZINC000267428281	673302991	/nfs/dbraw/zinc/30/29/91/673302991.db2.gz	BXJJEZVFKLZYFM-CQSZACIVSA-N	-1	3	359.419	1.369	20	10		FDCDHM
CO[C@@H]1[C@H](C)[C@@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C12CCC2	ZINC000360012408	676860065	/nfs/dbraw/zinc/86/00/65/676860065.db2.gz	BJIBFUUFDLQSRT-VCTAVGKDSA-N	-1	3	368.455	1.697	20	10		FDCDHM
CCN1C(=O)[C@H]2CN(Cc3cc(Br)ccc3[O-])CCN2C1=O	ZINC000362008194	676905651	/nfs/dbraw/zinc/90/56/51/676905651.db2.gz	FGMPYIGLYPJKOX-GFCCVEGCSA-N	-1	3	368.231	1.623	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC[C@@H]3OCCC[C@@H]3C2)c1	ZINC000363511111	676958884	/nfs/dbraw/zinc/95/88/84/676958884.db2.gz	GSRLWGBDKALYEI-ABAIWWIYSA-N	-1	3	354.428	1.405	20	10		FDCDHM
NC(=O)CSCC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1	ZINC000366400169	677440539	/nfs/dbraw/zinc/44/05/39/677440539.db2.gz	BRFPPTLLZFNHIS-CYBMUJFWSA-N	-1	3	371.890	1.345	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H]2c3ccccc3C[C@H]2O)c1	ZINC000367013512	677479334	/nfs/dbraw/zinc/47/93/34/677479334.db2.gz	OSGKWRNXAQXRHH-CVEARBPZSA-N	-1	3	362.407	1.152	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H]2Cc3ccccc3[C@@H]2O)c1	ZINC000370239023	677556051	/nfs/dbraw/zinc/55/60/51/677556051.db2.gz	RCGXXIUPXMTHMD-HOCLYGCPSA-N	-1	3	362.407	1.152	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCc2ccc(O)c(O)c2)c1	ZINC000762264432	875634155	/nfs/dbraw/zinc/63/41/55/875634155.db2.gz	XNFLYZHUIAXGKR-UHFFFAOYSA-N	-1	3	366.395	1.147	20	10		FDCDHM
COCCOC1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1	ZINC000735118513	924060475	/nfs/dbraw/zinc/06/04/75/924060475.db2.gz	PMEWQMGMNQCTFK-UHFFFAOYSA-N	-1	3	372.443	1.031	20	10		FDCDHM
CC(C)Cn1ccnc1CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000743562924	926389830	/nfs/dbraw/zinc/38/98/30/926389830.db2.gz	TZAHZYHUFRYYPA-UHFFFAOYSA-N	-1	3	366.443	1.546	20	10		FDCDHM
CC(C)[C@@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCS1	ZINC000743788071	926463066	/nfs/dbraw/zinc/46/30/66/926463066.db2.gz	YQZVJXFAANNFJY-AWEZNQCLSA-N	-1	3	358.485	1.977	20	10		FDCDHM
CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)c2cccc(O)c2[O-])c1	ZINC000790632052	933633102	/nfs/dbraw/zinc/63/31/02/933633102.db2.gz	SZCOAPWYOJZKCX-SNVBAGLBSA-N	-1	3	350.396	1.497	20	10		FDCDHM
O=C(Nc1ccc(C(=O)N2CCOCC2)c(F)c1)c1cccc(O)c1[O-]	ZINC000790943419	933794747	/nfs/dbraw/zinc/79/47/47/933794747.db2.gz	LDYGLUCFOIHPOC-UHFFFAOYSA-N	-1	3	360.341	1.962	20	10		FDCDHM
CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1ccc2ccccc2c1[O-]	ZINC000816492765	942223931	/nfs/dbraw/zinc/22/39/31/942223931.db2.gz	BMKHPOFSXXJXKW-HNNXBMFYSA-N	-1	3	362.451	1.281	20	10		FDCDHM
CN(C)CCN1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1=O	ZINC000846010075	950329555	/nfs/dbraw/zinc/32/95/55/950329555.db2.gz	AOLWPQPEMMLLLW-UHFFFAOYSA-N	-1	3	356.810	1.160	20	10		FDCDHM
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(-c2nnn[n-]2)cn1	ZINC001575189463	952457230	/nfs/dbraw/zinc/45/72/30/952457230.db2.gz	PCRYAAGRNFAZQW-VIFPVBQESA-N	-1	3	355.358	1.426	20	10		FDCDHM
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(-c2nn[n-]n2)cn1	ZINC001575189463	952457234	/nfs/dbraw/zinc/45/72/34/952457234.db2.gz	PCRYAAGRNFAZQW-VIFPVBQESA-N	-1	3	355.358	1.426	20	10		FDCDHM
COCCN(C(=O)c1cc(=O)n(-c2ccccc2)[n-]1)C1CCN(C)CC1	ZINC001147885761	952557896	/nfs/dbraw/zinc/55/78/96/952557896.db2.gz	ZYPOFSMQTZLXNW-UHFFFAOYSA-N	-1	3	358.442	1.349	20	10		FDCDHM
O=C(CC1CC1)N[C@@H]1CN(C(=O)c2cccc(O)c2[O-])C[C@@H]2CCCO[C@H]12	ZINC001148213857	952648402	/nfs/dbraw/zinc/64/84/02/952648402.db2.gz	LCCHSPNEGAUXBJ-OHNRDTAOSA-N	-1	3	374.437	1.634	20	10		FDCDHM
O=C(c1cccc(O)c1[O-])N1Cc2nccn2C[C@@H](COCC2CC2)C1	ZINC001148214144	952648623	/nfs/dbraw/zinc/64/86/23/952648623.db2.gz	OPOJIFLRGBEOBY-CQSZACIVSA-N	-1	3	357.410	1.993	20	10		FDCDHM
O=C(c1cccc(O)c1[O-])N1CCN(c2ncc(C(F)(F)F)cn2)CC1	ZINC001148218370	952652068	/nfs/dbraw/zinc/65/20/68/952652068.db2.gz	AQFHEKLPZOHSOD-UHFFFAOYSA-N	-1	3	368.315	1.869	20	10		FDCDHM
O=C(N[C@H]1CC[C@H](NC(=O)[C@@H]2CCCO2)CC1)c1cc(O)c([O-])c(O)c1	ZINC001148590351	952761133	/nfs/dbraw/zinc/76/11/33/952761133.db2.gz	IHXLKARFRJXIDO-HUBLWGQQSA-N	-1	3	364.398	1.140	20	10		FDCDHM
CO[C@H]1CS(=O)(=O)C[C@@H]1NCc1cc(Br)cc(F)c1[O-]	ZINC000715813124	958480198	/nfs/dbraw/zinc/48/01/98/958480198.db2.gz	MCQUYWQITRLGCK-QWRGUYRKSA-N	-1	3	368.224	1.195	20	10		FDCDHM
O=C(NCc1c([O-])cccc1F)[C@@H](O)[C@](O)(c1ccccc1)C(F)(F)F	ZINC001178412605	964227815	/nfs/dbraw/zinc/22/78/15/964227815.db2.gz	BKGKSXXNFCKLNH-GDBMZVCRSA-N	-1	3	373.302	1.959	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@](O)(C3CC3)C2)c1	ZINC000855696380	970620915	/nfs/dbraw/zinc/62/09/15/970620915.db2.gz	RTZOLXAOBLDEFY-INIZCTEOSA-N	-1	3	354.428	1.141	20	10		FDCDHM
COc1ccc(N2CCN(CC3(O)CCC(C(=O)[O-])CC3)CC2)cc1F	ZINC001604809966	974048918	/nfs/dbraw/zinc/04/89/18/974048918.db2.gz	UZKZHLOWFTVAEW-UHFFFAOYSA-N	-1	3	366.433	1.962	20	10		FDCDHM
CC[C@@H](CO)N1CCN(Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])CC1	ZINC001595174483	979756448	/nfs/dbraw/zinc/75/64/48/979756448.db2.gz	QDBAKKNCXPHSLF-AWEZNQCLSA-N	-1	3	363.433	1.904	20	10		FDCDHM
COC(=O)[C@@H](NCc1c([O-])cccc1Br)c1ccn(C)n1	ZINC000862338536	984341036	/nfs/dbraw/zinc/34/10/36/984341036.db2.gz	SKLAVUIBNFMTOD-ZDUSSCGKSA-N	-1	3	354.204	1.892	20	10		FDCDHM
[O-]c1cc(Br)ccc1CN1CCN(c2nccnn2)CC1	ZINC000862444960	984392616	/nfs/dbraw/zinc/39/26/16/984392616.db2.gz	ZPRCCCUFANMDSS-UHFFFAOYSA-N	-1	3	350.220	1.662	20	10		FDCDHM
CC(=O)c1cc(F)cc(CN2CCC[C@@H]2CNC(=O)c2cnn(C)c2)c1[O-]	ZINC000879190257	994615463	/nfs/dbraw/zinc/61/54/63/994615463.db2.gz	LNBZJFUKSSRFAL-MRXNPFEDSA-N	-1	3	374.416	1.862	20	10		FDCDHM
COC(=O)/C=C\c1ccc(N2CCN(C)C[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])c1	ZINC001598834610	996472261	/nfs/dbraw/zinc/47/22/61/996472261.db2.gz	LMULTSCFOYYRIB-RYWCDNDXSA-N	-1	3	363.370	1.234	20	10		FDCDHM
COc1cccc(CNC(=O)CCNC(=O)c2ccc(C)cc2[O-])c1O	ZINC000264253451	997439158	/nfs/dbraw/zinc/43/91/58/997439158.db2.gz	HCFZINBQRHBTBR-UHFFFAOYSA-N	-1	3	358.394	1.851	20	10		FDCDHM
O=C(NCc1c([O-])cccc1F)[C@H]1CC=CC[C@@H]1C(=O)N1CCOCC1	ZINC000928708360	1001632613	/nfs/dbraw/zinc/63/26/13/1001632613.db2.gz	KCTBFRUACQQGFK-KBPBESRZSA-N	-1	3	362.401	1.589	20	10		FDCDHM
CNC(=O)NC[C@@H]1CN(Cc2c([O-])ccc3ccc(OC)cc32)CCO1	ZINC000530106567	539886194	/nfs/dbraw/zinc/88/61/94/539886194.db2.gz	XYOBUBYWRAXUCE-OAHLLOKOSA-N	-1	3	359.426	1.684	20	10		FDCDHM
CCCN(CC(=O)OCC)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000271326426	674334749	/nfs/dbraw/zinc/33/47/49/674334749.db2.gz	VEMXOWKLEHGQTG-UHFFFAOYSA-N	-1	3	358.416	1.179	20	10		FDCDHM
O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1ccc2n[n-]nc2c1	ZINC000057365814	522075625	/nfs/dbraw/zinc/07/56/25/522075625.db2.gz	GNDBDSXBLQNARN-UHFFFAOYSA-N	-1	3	355.373	1.864	20	10		FDCDHM
CC(=O)c1cc(F)cc(CN2CCC[C@H](C(=O)N3CCOCC3)C2)c1[O-]	ZINC000079398377	523744984	/nfs/dbraw/zinc/74/49/84/523744984.db2.gz	ZMPIXTAPOGHRDI-AWEZNQCLSA-N	-1	3	364.417	1.805	20	10		FDCDHM
CCN(Cc1cc(Br)ccc1[O-])[C@H](C)C(=O)NC(=O)NC	ZINC000174425387	524572377	/nfs/dbraw/zinc/57/23/77/524572377.db2.gz	LSZMRHDRAKFJJS-SECBINFHSA-N	-1	3	358.236	1.821	20	10		FDCDHM
CCOC(=O)CNC(=O)C1CCN(Cc2cccc(Cl)c2[O-])CC1	ZINC000180765170	525753031	/nfs/dbraw/zinc/75/30/31/525753031.db2.gz	RLKSQZPIALEMMR-UHFFFAOYSA-N	-1	3	354.834	1.937	20	10		FDCDHM
CN1C[C@H](C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)CC1=O	ZINC000134265194	526142147	/nfs/dbraw/zinc/14/21/47/526142147.db2.gz	VFZNKASMASXICX-HIFRSBDPSA-N	-1	3	365.861	1.605	20	10		FDCDHM
C[C@@H](NCCS(=O)(=O)NC[C@@H]1CCCCO1)c1ccc(F)cc1[O-]	ZINC000186019925	536223638	/nfs/dbraw/zinc/22/36/38/536223638.db2.gz	NOGKDFDZNLBJHP-OCCSQVGLSA-N	-1	3	360.451	1.670	20	10		FDCDHM
CC1(C)[C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])[C@H]2CCO[C@H]21	ZINC000266027147	537184426	/nfs/dbraw/zinc/18/44/26/537184426.db2.gz	VOAIOFWDAJRABY-LERXQTSPSA-N	-1	3	354.428	1.307	20	10		FDCDHM
C[C@@H]1N(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCC12CCOCC2	ZINC000363846472	537342234	/nfs/dbraw/zinc/34/22/34/537342234.db2.gz	CKIPYVXCYYXINI-LBPRGKRZSA-N	-1	3	368.455	1.795	20	10		FDCDHM
CC[C@@H](C)[C@H]([N-]S(C)(=O)=O)C(=O)N1CCOc2cc(N(C)C)ccc21	ZINC000570103370	549159030	/nfs/dbraw/zinc/15/90/30/549159030.db2.gz	VEJIDKFGJMHVJF-WBMJQRKESA-N	-1	3	369.487	1.442	20	10		FDCDHM
COCc1noc(CN(CC(=O)OC)Cc2cc(Cl)ccc2[O-])n1	ZINC000272126448	674416387	/nfs/dbraw/zinc/41/63/87/674416387.db2.gz	UBAJOODJQTVEHR-UHFFFAOYSA-N	-1	3	355.778	1.750	20	10		FDCDHM
CCNC(=O)CNC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C	ZINC000736575262	598610004	/nfs/dbraw/zinc/61/00/04/598610004.db2.gz	DMRCPRSIQOYFKX-UHFFFAOYSA-N	-1	3	367.413	1.140	20	10		FDCDHM
Cc1cccc(NC(=O)C(=O)N(C)Cc2ccccc2O)c1-c1nnn[n-]1	ZINC000822308829	599600908	/nfs/dbraw/zinc/60/09/08/599600908.db2.gz	JLLCOVLKXWTKMF-UHFFFAOYSA-N	-1	3	366.381	1.478	20	10		FDCDHM
Cc1cccc(NC(=O)C(=O)N(C)Cc2ccccc2O)c1-c1nn[n-]n1	ZINC000822308829	599600910	/nfs/dbraw/zinc/60/09/10/599600910.db2.gz	JLLCOVLKXWTKMF-UHFFFAOYSA-N	-1	3	366.381	1.478	20	10		FDCDHM
COc1ccc2c(c1)CCN2C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1	ZINC000821849807	607443175	/nfs/dbraw/zinc/44/31/75/607443175.db2.gz	RAXIMGLIFRFVIV-LLVKDONJSA-N	-1	3	352.402	1.176	20	10		FDCDHM
COc1ccc2c(c1)CCN2C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1	ZINC000821849807	607443177	/nfs/dbraw/zinc/44/31/77/607443177.db2.gz	RAXIMGLIFRFVIV-LLVKDONJSA-N	-1	3	352.402	1.176	20	10		FDCDHM
COc1ccc(N2CCN(C(=O)CN3CCC[C@H](C(=O)[O-])C3)CC2)cc1	ZINC000274189104	600844929	/nfs/dbraw/zinc/84/49/29/600844929.db2.gz	KMSCDBJVDLPFLQ-HNNXBMFYSA-N	-1	3	361.442	1.140	20	10		FDCDHM
O=C([O-])/C=C\c1ccc(N2CCN(C[C@H]3CCOC3)CC2)c([N+](=O)[O-])c1	ZINC000833196229	601411139	/nfs/dbraw/zinc/41/11/39/601411139.db2.gz	OQQJBRVAIXGANL-NSRYLSIASA-N	-1	3	361.398	1.851	20	10		FDCDHM
C[C@@H](NC(=O)[O-])[C@@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2)CCO1	ZINC000833818801	605994406	/nfs/dbraw/zinc/99/44/06/605994406.db2.gz	MIFNFUOEBJSHBC-QAPCUYQASA-N	-1	3	362.474	1.295	20	10		FDCDHM
C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1ccc(N2CCOCC2)cc1	ZINC000820384461	606263374	/nfs/dbraw/zinc/26/33/74/606263374.db2.gz	FTXFORWVOPCVHM-GFCCVEGCSA-N	-1	3	367.413	1.522	20	10		FDCDHM
C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1ccc(N2CCOCC2)cc1	ZINC000820384461	606263376	/nfs/dbraw/zinc/26/33/76/606263376.db2.gz	FTXFORWVOPCVHM-GFCCVEGCSA-N	-1	3	367.413	1.522	20	10		FDCDHM
CN(C)c1ccc2c(c1)OCCN2C[C@@H](O)c1ccc(-c2nnn[n-]2)cc1	ZINC000825879711	608418527	/nfs/dbraw/zinc/41/85/27/608418527.db2.gz	PGLBOBCNAYVBBY-QGZVFWFLSA-N	-1	3	366.425	1.865	20	10		FDCDHM
CN(C)c1ccc2c(c1)OCCN2C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1	ZINC000825879711	608418529	/nfs/dbraw/zinc/41/85/29/608418529.db2.gz	PGLBOBCNAYVBBY-QGZVFWFLSA-N	-1	3	366.425	1.865	20	10		FDCDHM
Cc1cc(C(=O)N2C[C@@H](C)[C@@H](O)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1	ZINC000826258020	608595725	/nfs/dbraw/zinc/59/57/25/608595725.db2.gz	XAMRZUIGFPLHRH-DIFFPNOSSA-N	-1	3	366.425	1.727	20	10		FDCDHM
CN(C)c1ccc(CN(C)C(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1	ZINC000825966018	609187921	/nfs/dbraw/zinc/18/79/21/609187921.db2.gz	KLACXRPUAXZXAN-KRWDZBQOSA-N	-1	3	366.425	1.625	20	10		FDCDHM
CN(C)c1ccc(CN(C)C(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1	ZINC000825966018	609187923	/nfs/dbraw/zinc/18/79/23/609187923.db2.gz	KLACXRPUAXZXAN-KRWDZBQOSA-N	-1	3	366.425	1.625	20	10		FDCDHM
CC(C)(C)S(=O)(=O)N1CCC(NC(=O)c2cccc(O)c2[O-])CC1	ZINC000277011726	674832772	/nfs/dbraw/zinc/83/27/72/674832772.db2.gz	FAJNHPBAWGEUJR-UHFFFAOYSA-N	-1	3	356.444	1.420	20	10		FDCDHM
COc1ccc(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)cc2)cc1	ZINC000023397979	670705894	/nfs/dbraw/zinc/70/58/94/670705894.db2.gz	ZQBINWIEFVJULU-UHFFFAOYSA-N	-1	3	356.425	1.868	20	10		FDCDHM
O=C(CN1CCOCC1)N1CCN(Cc2cc(Cl)ccc2[O-])CC1	ZINC000124319477	671735956	/nfs/dbraw/zinc/73/59/56/671735956.db2.gz	OWABUHUNBNSBTM-UHFFFAOYSA-N	-1	3	353.850	1.022	20	10		FDCDHM
COC(=O)CN(CC(=O)Nc1cc(C)on1)Cc1cc(Cl)ccc1[O-]	ZINC000264616959	672918739	/nfs/dbraw/zinc/91/87/39/672918739.db2.gz	PNSPWKNHDXXWPO-UHFFFAOYSA-N	-1	3	367.789	1.956	20	10		FDCDHM
CC(C)(C)[S@](=O)CCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000264857131	672926997	/nfs/dbraw/zinc/92/69/97/672926997.db2.gz	NNCTXZLHGZNQBN-JOCHJYFZSA-N	-1	3	362.473	1.041	20	10		FDCDHM
C[C@](O)(CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccsc1	ZINC000265896842	673012636	/nfs/dbraw/zinc/01/26/36/673012636.db2.gz	GXNDZLIPWBATPQ-HNNXBMFYSA-N	-1	3	370.452	1.463	20	10		FDCDHM
CC(=O)c1cc(F)cc(CN2CCC[C@H](CNS(C)(=O)=O)C2)c1[O-]	ZINC000267432174	673303341	/nfs/dbraw/zinc/30/33/41/673303341.db2.gz	DNIUUPAYLWCIEN-GFCCVEGCSA-N	-1	3	358.435	1.495	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC(c3cn[nH]c3)CC2)c1	ZINC000364886640	677060237	/nfs/dbraw/zinc/06/02/37/677060237.db2.gz	DMPGHXWDGDOSGO-UHFFFAOYSA-N	-1	3	364.427	1.507	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCOC3(CCCC3)C2)c1	ZINC000366344781	677435866	/nfs/dbraw/zinc/43/58/66/677435866.db2.gz	FGSAOGZYCTWKCB-UHFFFAOYSA-N	-1	3	354.428	1.549	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC[C@H]3[C@@H](C(F)(F)F)[C@H]32)c1	ZINC000371092067	677645947	/nfs/dbraw/zinc/64/59/47/677645947.db2.gz	YSOMUSRPVCZTKA-AXTRIDKLSA-N	-1	3	364.345	1.787	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCc2ccc(F)c(F)c2)c1	ZINC000920300046	886836580	/nfs/dbraw/zinc/83/65/80/886836580.db2.gz	ZDHGTZPATOBXEX-UHFFFAOYSA-N	-1	3	356.350	1.972	20	10		FDCDHM
COC(=O)[C@H](C)CN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C1CC1	ZINC000769753813	929642759	/nfs/dbraw/zinc/64/27/59/929642759.db2.gz	QAVCUGPODKFJRB-SNVBAGLBSA-N	-1	3	370.427	1.177	20	10		FDCDHM
CC1(C)CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C(C)(C)CO1	ZINC000769860274	929703494	/nfs/dbraw/zinc/70/34/94/929703494.db2.gz	VPGYIMAACSIPIQ-UHFFFAOYSA-N	-1	3	356.444	1.793	20	10		FDCDHM
CC(=O)N1CCN(c2ccc(CN=c3ncnc4[nH][n-]cc3-4)cc2)CC1	ZINC000786037280	931732915	/nfs/dbraw/zinc/73/29/15/931732915.db2.gz	OYGQNVMPRRGLAY-UHFFFAOYSA-N	-1	3	351.414	1.007	20	10		FDCDHM
O=C(c1ccc(F)c(F)c1)N1CCN(C(=O)c2cccc(O)c2[O-])CC1	ZINC000790526669	933592286	/nfs/dbraw/zinc/59/22/86/933592286.db2.gz	RURHGYWHDASLME-UHFFFAOYSA-N	-1	3	362.332	1.974	20	10		FDCDHM
C[C@H](NC(=O)c1cccc(O)c1[O-])c1cccc(S(=O)(=O)N(C)C)c1	ZINC000790630791	933633053	/nfs/dbraw/zinc/63/30/53/933633053.db2.gz	JXQCRYJZYHTXEW-NSHDSACASA-N	-1	3	364.423	1.839	20	10		FDCDHM
Cc1cc([O-])c(CN2CCN(C(=O)C(=O)N3CCCC3)CC2)cc1Cl	ZINC000824593049	946567516	/nfs/dbraw/zinc/56/75/16/946567516.db2.gz	KAXWUKFQUQEQSJ-UHFFFAOYSA-N	-1	3	365.861	1.621	20	10		FDCDHM
O=C(c1cccc(O)c1[O-])N1Cc2nccn2C[C@H](COCC2CC2)C1	ZINC001148214140	952648780	/nfs/dbraw/zinc/64/87/80/952648780.db2.gz	OPOJIFLRGBEOBY-AWEZNQCLSA-N	-1	3	357.410	1.993	20	10		FDCDHM
CC(C)Oc1ncnc2c1CCN(C(=O)c1cc(O)c([O-])c(O)c1)CC2	ZINC001148583109	952757742	/nfs/dbraw/zinc/75/77/42/952757742.db2.gz	TZXSEHQLDZSBRH-UHFFFAOYSA-N	-1	3	359.382	1.622	20	10		FDCDHM
COc1cc(CNC(=O)c2cc(O)c([O-])c(O)c2)ccc1OC1COC1	ZINC001148590051	952760727	/nfs/dbraw/zinc/76/07/27/952760727.db2.gz	WOILMKSMRZHQSP-UHFFFAOYSA-N	-1	3	361.350	1.520	20	10		FDCDHM
Cc1nocc1S(=O)(=O)[N-][C@H](C)c1ccc(N2CCOCC2)cc1	ZINC000866606310	975830203	/nfs/dbraw/zinc/83/02/03/975830203.db2.gz	VAGHMNNDKVONCJ-GFCCVEGCSA-N	-1	3	351.428	1.859	20	10		FDCDHM
CCN(CC)c1ccc(C[N-]S(=O)(=O)N=S(C)(C)=O)cc1F	ZINC000866755600	975998682	/nfs/dbraw/zinc/99/86/82/975998682.db2.gz	RBAOAVVLFMVCSY-UHFFFAOYSA-N	-1	3	351.469	1.734	20	10		FDCDHM
C[C@@H](NCc1nnc2n1CCNC2=O)c1ccc(Br)cc1[O-]	ZINC000883303715	982060397	/nfs/dbraw/zinc/06/03/97/982060397.db2.gz	FAZHTGGSKHSVRP-MRVPVSSYSA-N	-1	3	366.219	1.340	20	10		FDCDHM
O=C(c1c(F)ccc(O)c1[O-])N1CCC(CCN2CCOCC2)CC1	ZINC000825637418	988306341	/nfs/dbraw/zinc/30/63/41/988306341.db2.gz	UYSBYGUDSLCNDS-UHFFFAOYSA-N	-1	3	352.406	1.811	20	10		FDCDHM
CCOC(=O)c1cnn(C2CCN(C(=O)c3cccc(O)c3[O-])CC2)c1	ZINC000295649203	988726267	/nfs/dbraw/zinc/72/62/67/988726267.db2.gz	MBAAQZLSSIDZOJ-UHFFFAOYSA-N	-1	3	359.382	1.948	20	10		FDCDHM
CN(C)c1ccc([C@@H](CNC(=O)NCC(C)(C)C(=O)[O-])N(C)C)cc1	ZINC001598313774	991292030	/nfs/dbraw/zinc/29/20/30/991292030.db2.gz	XZQXAPLJCUVHAS-OAHLLOKOSA-N	-1	3	350.463	1.765	20	10		FDCDHM
CNS(=O)(=O)c1cccc(CN[C@H](C)c2cc(C(=O)[O-])ccc2O)c1	ZINC001598675882	994842257	/nfs/dbraw/zinc/84/22/57/994842257.db2.gz	NYWGNXNHMBUULN-LLVKDONJSA-N	-1	3	364.423	1.849	20	10		FDCDHM
[O-]c1c(Cl)cccc1CN1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1	ZINC000826510777	996808399	/nfs/dbraw/zinc/80/83/99/996808399.db2.gz	KCXYFEXTPYOXGJ-UHFFFAOYSA-N	-1	3	371.832	1.943	20	10		FDCDHM
CN(C)S(=O)(=O)c1cc(C(=O)NCc2c([O-])cccc2F)n(C)c1	ZINC000928707170	1001632379	/nfs/dbraw/zinc/63/23/79/1001632379.db2.gz	BOXCOUXMQCUVGT-UHFFFAOYSA-N	-1	3	355.391	1.050	20	10		FDCDHM
Cc1c([C@@H](C)NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cnn1C	ZINC000270979587	674294536	/nfs/dbraw/zinc/29/45/36/674294536.db2.gz	VHHUCINZBWQXJB-SECBINFHSA-N	-1	3	352.416	1.297	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCS[C@H]3COCC[C@@H]32)c1	ZINC000271372695	674337738	/nfs/dbraw/zinc/33/77/38/674337738.db2.gz	JHIBXBWKZXJKNX-JSGCOSHPSA-N	-1	3	372.468	1.110	20	10		FDCDHM
CC(=O)c1cc(F)cc(CN2CCCC[C@@H]2CNS(C)(=O)=O)c1[O-]	ZINC000079399160	523745203	/nfs/dbraw/zinc/74/52/03/523745203.db2.gz	TWIRDCOWWXTCAL-CQSZACIVSA-N	-1	3	358.435	1.638	20	10		FDCDHM
Cc1noc(C)c1S(=O)(=O)N1CCN(Cc2cc(F)ccc2[O-])CC1	ZINC000179890988	525642763	/nfs/dbraw/zinc/64/27/63/525642763.db2.gz	BHJQRFJHXJADPY-UHFFFAOYSA-N	-1	3	369.418	1.643	20	10		FDCDHM
CCOC(=O)C1CCN(C(=O)CN(C)Cc2cc(F)ccc2[O-])CC1	ZINC000180057772	525656384	/nfs/dbraw/zinc/65/63/84/525656384.db2.gz	ZIQBWMUGYVJBOK-UHFFFAOYSA-N	-1	3	352.406	1.765	20	10		FDCDHM
COc1cc(Cl)cc(CN2CCN([C@H]3CCS(=O)(=O)C3)CC2)c1[O-]	ZINC000184675358	536174943	/nfs/dbraw/zinc/17/49/43/536174943.db2.gz	QSYWPZZEDMZXIT-AWEZNQCLSA-N	-1	3	374.890	1.359	20	10		FDCDHM
COCCN1CCCN(Cc2cc(Br)ccc2[O-])CC1=O	ZINC000191697699	537210263	/nfs/dbraw/zinc/21/02/63/537210263.db2.gz	GVUVXDVSQFVMBZ-UHFFFAOYSA-N	-1	3	357.248	1.835	20	10		FDCDHM
CN(C)c1ccc(CNc2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)cc1	ZINC000736778917	599259176	/nfs/dbraw/zinc/25/91/76/599259176.db2.gz	INHMRIDGXRMEHN-UHFFFAOYSA-N	-1	3	373.442	1.192	20	10		FDCDHM
CN(C)c1ccc(CNc2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)cc1	ZINC000736778917	599259178	/nfs/dbraw/zinc/25/91/78/599259178.db2.gz	INHMRIDGXRMEHN-UHFFFAOYSA-N	-1	3	373.442	1.192	20	10		FDCDHM
CN(C)c1ccc(CNC(=O)COc2ccc(-c3nnn[n-]3)c(F)c2)cc1	ZINC000736774612	598549335	/nfs/dbraw/zinc/54/93/35/598549335.db2.gz	VORJRMKVXHUZRK-UHFFFAOYSA-N	-1	3	370.388	1.767	20	10		FDCDHM
CN(C)c1ccc(CNC(=O)COc2ccc(-c3nn[n-]n3)c(F)c2)cc1	ZINC000736774612	598549336	/nfs/dbraw/zinc/54/93/36/598549336.db2.gz	VORJRMKVXHUZRK-UHFFFAOYSA-N	-1	3	370.388	1.767	20	10		FDCDHM
Cc1cc(C(=O)NCC(=O)N(C)C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1	ZINC000737233876	598610667	/nfs/dbraw/zinc/61/06/67/598610667.db2.gz	HKSNBIDNSLJJCA-UHFFFAOYSA-N	-1	3	367.413	1.092	20	10		FDCDHM
CC[C@@H](OC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C)C(N)=O	ZINC000736381116	598622601	/nfs/dbraw/zinc/62/26/01/598622601.db2.gz	HRKUREWKUOYHCC-OAHLLOKOSA-N	-1	3	368.397	1.695	20	10		FDCDHM
Cc1oc(NC(=O)COC(=O)C2=CC(=O)CS2)c(-c2nnn[n-]2)c1C	ZINC000737552386	598723464	/nfs/dbraw/zinc/72/34/64/598723464.db2.gz	OJWYNSGXBQFXII-UHFFFAOYSA-N	-1	3	363.355	1.639	20	10		FDCDHM
COc1ccc2c(c1)CCN2C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1	ZINC000821849809	607443106	/nfs/dbraw/zinc/44/31/06/607443106.db2.gz	RAXIMGLIFRFVIV-NSHDSACASA-N	-1	3	352.402	1.176	20	10		FDCDHM
COc1ccc2c(c1)CCN2C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1	ZINC000821849809	607443107	/nfs/dbraw/zinc/44/31/07/607443107.db2.gz	RAXIMGLIFRFVIV-NSHDSACASA-N	-1	3	352.402	1.176	20	10		FDCDHM
COc1ccc(CNC(=O)N(C)Cc2ccccc2O)cc1-c1nnn[n-]1	ZINC000826198290	607625379	/nfs/dbraw/zinc/62/53/79/607625379.db2.gz	UDEUONGVNKJPIL-UHFFFAOYSA-N	-1	3	368.397	1.923	20	10		FDCDHM
COc1ccc(CNC(=O)N(C)Cc2ccccc2O)cc1-c1nn[n-]n1	ZINC000826198290	607625381	/nfs/dbraw/zinc/62/53/81/607625381.db2.gz	UDEUONGVNKJPIL-UHFFFAOYSA-N	-1	3	368.397	1.923	20	10		FDCDHM
COc1ccc(N2CCCN(c3ccc(-c4nnn[n-]4)nc3)CC2)cc1	ZINC000821831840	606050627	/nfs/dbraw/zinc/05/06/27/606050627.db2.gz	OXWQJHUNAAWREK-UHFFFAOYSA-N	-1	3	351.414	1.987	20	10		FDCDHM
COc1ccc(N2CCCN(c3ccc(-c4nn[n-]n4)nc3)CC2)cc1	ZINC000821831840	606050632	/nfs/dbraw/zinc/05/06/32/606050632.db2.gz	OXWQJHUNAAWREK-UHFFFAOYSA-N	-1	3	351.414	1.987	20	10		FDCDHM
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc(-c2nnn[n-]2)c[nH]1	ZINC000821611102	606248492	/nfs/dbraw/zinc/24/84/92/606248492.db2.gz	QPBPOVZUWDQSBG-UHFFFAOYSA-N	-1	3	367.413	1.304	20	10		FDCDHM
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc(-c2nn[n-]n2)c[nH]1	ZINC000821611102	606248494	/nfs/dbraw/zinc/24/84/94/606248494.db2.gz	QPBPOVZUWDQSBG-UHFFFAOYSA-N	-1	3	367.413	1.304	20	10		FDCDHM
COc1cccc(CNC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c1O	ZINC000821867930	606696805	/nfs/dbraw/zinc/69/68/05/606696805.db2.gz	LOKOFGYEXKOYAG-UHFFFAOYSA-N	-1	3	361.308	1.789	20	10		FDCDHM
COc1cccc(CNC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1O	ZINC000821867930	606696806	/nfs/dbraw/zinc/69/68/06/606696806.db2.gz	LOKOFGYEXKOYAG-UHFFFAOYSA-N	-1	3	361.308	1.789	20	10		FDCDHM
CCCC[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C(=O)OC	ZINC000273920735	674580084	/nfs/dbraw/zinc/58/00/84/674580084.db2.gz	DJFWTELJYCZIHR-LBPRGKRZSA-N	-1	3	358.416	1.225	20	10		FDCDHM
Cc1nc(SCC(=O)NCc2cccc(Br)c2[O-])n[nH]1	ZINC000277545412	674964778	/nfs/dbraw/zinc/96/47/78/674964778.db2.gz	NRWHQQSVROETGE-UHFFFAOYSA-N	-1	3	357.233	1.990	20	10		FDCDHM
O=C1[N-]C(=S)NC(=O)C1=CNc1ccc2c(c1)nc1n2CCCCC1	ZINC000029008738	670800605	/nfs/dbraw/zinc/80/06/05/670800605.db2.gz	HFBDZVYVUWOOGT-UHFFFAOYSA-N	-1	3	355.423	1.589	20	10		FDCDHM
Cc1noc(C)c1S(=O)(=O)[N-]Cc1ccc(N2CCOCC2)c(F)c1	ZINC000056110020	671245367	/nfs/dbraw/zinc/24/53/67/671245367.db2.gz	YGGXJDTWFIOXQT-UHFFFAOYSA-N	-1	3	369.418	1.746	20	10		FDCDHM
COC(=O)CN(Cc1nnnn1C1CC1)Cc1cc(Cl)ccc1[O-]	ZINC000109779825	671624383	/nfs/dbraw/zinc/62/43/83/671624383.db2.gz	MADSSHFNRCIJOL-UHFFFAOYSA-N	-1	3	351.794	1.542	20	10		FDCDHM
CC(C)[C@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCCO1	ZINC000294536574	676387916	/nfs/dbraw/zinc/38/79/16/676387916.db2.gz	SZKXJGGANOROSD-OAHLLOKOSA-N	-1	3	356.444	1.651	20	10		FDCDHM
CSC[C@@H]1CCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1	ZINC000294782276	676397108	/nfs/dbraw/zinc/39/71/08/676397108.db2.gz	ZFXGMNSIKUAXTJ-LLVKDONJSA-N	-1	3	358.485	1.979	20	10		FDCDHM
C[C@]1(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCO[C@H]1C1CC1	ZINC000368491649	677500030	/nfs/dbraw/zinc/50/00/30/677500030.db2.gz	JAYYGUQPGZVLAB-DOTOQJQBSA-N	-1	3	368.455	1.699	20	10		FDCDHM
Cc1cn2c(n1)CC[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C2	ZINC000368845540	677502069	/nfs/dbraw/zinc/50/20/69/677502069.db2.gz	MRYNWTDHTICCOJ-LBPRGKRZSA-N	-1	3	364.427	1.013	20	10		FDCDHM
C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)c2cccc(O)c2[O-])CC1	ZINC000274890385	770956175	/nfs/dbraw/zinc/95/61/75/770956175.db2.gz	LPNMVZGTMJWEBM-CQSZACIVSA-N	-1	3	361.442	1.257	20	10		FDCDHM
COc1ccc2c(c1)CN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C2	ZINC001143401014	778444933	/nfs/dbraw/zinc/44/49/33/778444933.db2.gz	MQOYMQYRQWJQQC-UHFFFAOYSA-N	-1	3	362.407	1.928	20	10		FDCDHM
CN(C)C(=O)CN1CCC(NC(=O)NCc2cccc(Cl)c2[O-])CC1	ZINC000892938375	791791249	/nfs/dbraw/zinc/79/12/49/791791249.db2.gz	MRNVHWHWKLKYGT-UHFFFAOYSA-N	-1	3	368.865	1.397	20	10		FDCDHM
CC(=O)c1cc(F)cc(CN2CCCN(CC(=O)NC(C)C)CC2)c1[O-]	ZINC000378015412	793392901	/nfs/dbraw/zinc/39/29/01/793392901.db2.gz	AGODMTDEGICCQD-UHFFFAOYSA-N	-1	3	365.449	1.766	20	10		FDCDHM
[O-]c1c(Br)cccc1CN1CCC(O)(COCCO)CC1	ZINC000895827337	822754627	/nfs/dbraw/zinc/75/46/27/822754627.db2.gz	NYHQUJROIAVRSV-UHFFFAOYSA-N	-1	3	360.248	1.491	20	10		FDCDHM
O=C(NCc1c([O-])cccc1F)NC[C@]1(N2CCOCC2)CCSC1	ZINC000914328515	872379722	/nfs/dbraw/zinc/37/97/22/872379722.db2.gz	OSRQWGLJURPLOM-QGZVFWFLSA-N	-1	3	369.462	1.538	20	10		FDCDHM
Cc1nc(C)c(CC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c(=O)[n-]1	ZINC000068530707	889302027	/nfs/dbraw/zinc/30/20/27/889302027.db2.gz	HRESREPQOBNWIQ-ZDUSSCGKSA-N	-1	3	370.453	1.643	20	10		FDCDHM
CCS(=O)(=O)N1CCC(CNC(=O)NCc2c([O-])cccc2F)CC1	ZINC000921949127	893379589	/nfs/dbraw/zinc/37/95/89/893379589.db2.gz	LZRBLEVZOJPUOJ-UHFFFAOYSA-N	-1	3	373.450	1.392	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H](CO)Cc2ccccc2)c1	ZINC000770098557	929843638	/nfs/dbraw/zinc/84/36/38/929843638.db2.gz	VWMVZTFWDVFLEC-CQSZACIVSA-N	-1	3	364.423	1.097	20	10		FDCDHM
C[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000771051816	930402567	/nfs/dbraw/zinc/40/25/67/930402567.db2.gz	XAEVEWWBVOJPSL-LLVKDONJSA-N	-1	3	364.423	1.830	20	10		FDCDHM
Cc1ccccc1[C@H](CO)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000771225331	930523770	/nfs/dbraw/zinc/52/37/70/930523770.db2.gz	WPAITAYEUGWBMK-HNNXBMFYSA-N	-1	3	364.423	1.536	20	10		FDCDHM
COC(=O)C[C@@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C1CC1	ZINC000855911119	970766104	/nfs/dbraw/zinc/76/61/04/970766104.db2.gz	UPVCPSQNLOLVAH-NSHDSACASA-N	-1	3	370.427	1.083	20	10		FDCDHM
CC(=O)C(=O)COC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1	ZINC000808501397	940553472	/nfs/dbraw/zinc/55/34/72/940553472.db2.gz	NYAJIENFPXGNBN-UHFFFAOYSA-N	-1	3	359.375	1.217	20	10		FDCDHM
O=C(NC[C@@]1(CO)COCCN1Cc1ccccc1)c1cccc(O)c1[O-]	ZINC000856078401	970888910	/nfs/dbraw/zinc/88/89/10/970888910.db2.gz	PQADKOKZWHXRSA-HXUWFJFHSA-N	-1	3	372.421	1.091	20	10		FDCDHM
CSc1cc(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])ccn1	ZINC000772882994	946606729	/nfs/dbraw/zinc/60/67/29/946606729.db2.gz	KLVZEWHRODFLHV-UHFFFAOYSA-N	-1	3	367.452	1.811	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCO[C@@]3(CCSC3)C2)c1	ZINC000843946316	947482856	/nfs/dbraw/zinc/48/28/56/947482856.db2.gz	MSGDOGDHVSTQAR-HNNXBMFYSA-N	-1	3	372.468	1.112	20	10		FDCDHM
COc1cc(NC(=O)c2cc(O)c([O-])c(O)c2)ccc1N1CCOCC1	ZINC001148586353	952759236	/nfs/dbraw/zinc/75/92/36/952759236.db2.gz	LJCRDZWEUMYYBV-UHFFFAOYSA-N	-1	3	360.366	1.901	20	10		FDCDHM
CCOC(=O)c1ccc(C)c(N(C(=N)N)C(=O)c2cc(O)c([O-])c(O)c2)c1	ZINC001148589759	952760318	/nfs/dbraw/zinc/76/03/18/952760318.db2.gz	JZADLJWSRKLCGW-UHFFFAOYSA-N	-1	3	373.365	1.829	20	10		FDCDHM
Cc1cc(C(=O)NCC(=O)c2ccc([O-])c(O)c2)nn1-c1ccncc1	ZINC001197546040	972296011	/nfs/dbraw/zinc/29/60/11/972296011.db2.gz	ZPVGBLJYTCJKSM-UHFFFAOYSA-N	-1	3	352.350	1.600	20	10		FDCDHM
CC(C)CC(=O)N[C@H](Cc1c[nH]cn1)C(=O)NCc1c([O-])cccc1F	ZINC001178412807	964228114	/nfs/dbraw/zinc/22/81/14/964228114.db2.gz	GFLQGSRHGQQRDC-OAHLLOKOSA-N	-1	3	362.405	1.644	20	10		FDCDHM
CS(=O)(=O)n1cc2c(n1)CN(Cc1cc(Br)ccc1[O-])C2	ZINC001203649663	964837918	/nfs/dbraw/zinc/83/79/18/964837918.db2.gz	ACWJSDFAJCSLGH-UHFFFAOYSA-N	-1	3	372.244	1.675	20	10		FDCDHM
C[C@H]1CN(Cc2cc(F)c(F)cc2[O-])CCN1c1nccn2cnnc12	ZINC001179980852	965050678	/nfs/dbraw/zinc/05/06/78/965050678.db2.gz	SIBYBFPUXNKXRY-NSHDSACASA-N	-1	3	360.368	1.819	20	10		FDCDHM
COC(=O)[C@H](Cc1ccc(O)c(O)c1)[N-]S(=O)(=O)CC1CCCC1	ZINC001191480850	968535106	/nfs/dbraw/zinc/53/51/06/968535106.db2.gz	ILYNQDMWRWZHSR-ZDUSSCGKSA-N	-1	3	357.428	1.292	20	10		FDCDHM
CC(C)(CO)[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C1CC1	ZINC000848250805	976530829	/nfs/dbraw/zinc/53/08/29/976530829.db2.gz	NRUNXHSLXWFHPY-CQSZACIVSA-N	-1	3	356.444	1.291	20	10		FDCDHM
COC(=O)CN(CC(=O)Nc1cnccn1)Cc1cc(Cl)ccc1[O-]	ZINC000851840188	979093596	/nfs/dbraw/zinc/09/35/96/979093596.db2.gz	BIWBADJSWIHFRS-UHFFFAOYSA-N	-1	3	364.789	1.449	20	10		FDCDHM
O=S(=O)([N-]Cc1ccc(N2CCC(O)CC2)cc1)c1cccnc1F	ZINC000882416487	980632869	/nfs/dbraw/zinc/63/28/69/980632869.db2.gz	FCOBXAVAPWIEKW-UHFFFAOYSA-N	-1	3	365.430	1.660	20	10		FDCDHM
CN(CCN1CCCS1(=O)=O)Cc1c([O-])cccc1Br	ZINC000862251902	984283835	/nfs/dbraw/zinc/28/38/35/984283835.db2.gz	QMWCNXLPMONSMI-UHFFFAOYSA-N	-1	3	363.277	1.622	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCOC[C@H]2CC2CC2)c1	ZINC000886466400	986289787	/nfs/dbraw/zinc/28/97/87/986289787.db2.gz	XWVSNAUURILUBU-CYBMUJFWSA-N	-1	3	354.428	1.405	20	10		FDCDHM
CS(=O)(=O)C1CCC(CNC(=O)NCc2c([O-])cccc2F)CC1	ZINC000924288000	994548751	/nfs/dbraw/zinc/54/87/51/994548751.db2.gz	PCNFZCDZBDBGEW-UHFFFAOYSA-N	-1	3	358.435	1.934	20	10		FDCDHM
CC(C)(C)OC(=O)N1C[C@H](O)C[C@]1(C)C(=O)NCc1c([O-])cccc1F	ZINC000928712777	1001633610	/nfs/dbraw/zinc/63/36/10/1001633610.db2.gz	UVIRITFYQZRYFY-ADLMAVQZSA-N	-1	3	368.405	1.908	20	10		FDCDHM
O=C(N1CCNCC1)N1CCN(Cc2c([O-])ccc(Cl)c2F)CC1	ZINC000530242653	539919071	/nfs/dbraw/zinc/91/90/71/539919071.db2.gz	NTEITYICSDRNHC-UHFFFAOYSA-N	-1	3	356.829	1.328	20	10		FDCDHM
O=C(NCCCO)C1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1	ZINC000271054464	674303095	/nfs/dbraw/zinc/30/30/95/674303095.db2.gz	SDDHPNORGQOFHL-UHFFFAOYSA-N	-1	3	371.821	1.664	20	10		FDCDHM
CC(C)(NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1nccs1	ZINC000271333567	674335303	/nfs/dbraw/zinc/33/53/03/674335303.db2.gz	VXLXQXFYCRZWDY-UHFFFAOYSA-N	-1	3	355.441	1.885	20	10		FDCDHM
Cn1ncc2c1CCC[C@@H]2NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000055222636	523772260	/nfs/dbraw/zinc/77/22/60/523772260.db2.gz	LUESEBIVISYHRQ-ZDUSSCGKSA-N	-1	3	364.427	1.305	20	10		FDCDHM
Cc1ncc(CN(C)C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])s1	ZINC000055289384	523790559	/nfs/dbraw/zinc/79/05/59/523790559.db2.gz	TUSAEUUWXPCZCK-UHFFFAOYSA-N	-1	3	355.441	1.801	20	10		FDCDHM
COCCN(CC(=O)N(C)C)Cc1cc(Br)cc(C)c1[O-]	ZINC000179751332	525624055	/nfs/dbraw/zinc/62/40/55/525624055.db2.gz	WLDZENGRAWTZDN-UHFFFAOYSA-N	-1	3	359.264	2.000	20	10		FDCDHM
Cc1cc(Cl)cc(CN(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)c1[O-]	ZINC000179769324	525629518	/nfs/dbraw/zinc/62/95/18/525629518.db2.gz	IBHZVFHMWFBCNI-CYBMUJFWSA-N	-1	3	360.863	1.089	20	10		FDCDHM
CCN(C(=O)[C@@H](C)N(C)Cc1ccccc1[O-])[C@@H]1CCS(=O)(=O)C1	ZINC000131588638	525877274	/nfs/dbraw/zinc/87/72/74/525877274.db2.gz	ZFKCLZFQFPNCOW-UKRRQHHQSA-N	-1	3	354.472	1.248	20	10		FDCDHM
CN1C[C@@H](C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)CC1=O	ZINC000134265215	526143963	/nfs/dbraw/zinc/14/39/63/526143963.db2.gz	VFZNKASMASXICX-ZFWWWQNUSA-N	-1	3	365.861	1.605	20	10		FDCDHM
CCCN(C(=O)[C@@H](C)N(C)Cc1ccccc1[O-])[C@H]1CCS(=O)(=O)C1	ZINC000109771456	526179473	/nfs/dbraw/zinc/17/94/73/526179473.db2.gz	UJBRRSGXIORGFU-ZBFHGGJFSA-N	-1	3	368.499	1.638	20	10		FDCDHM
CC(C)[C@@H](O)C(C)(C)CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000270018717	537270481	/nfs/dbraw/zinc/27/04/81/537270481.db2.gz	DUTCBCNTTDLHTF-CQSZACIVSA-N	-1	3	358.460	1.537	20	10		FDCDHM
C[C@@H]1CN(C(=O)C2CCN(C(=O)c3cccc(O)c3[O-])CC2)C[C@H](C)O1	ZINC000363934293	537372426	/nfs/dbraw/zinc/37/24/26/537372426.db2.gz	WYALCDVPOZZANF-BETUJISGSA-N	-1	3	362.426	1.586	20	10		FDCDHM
O=C(c1cccc(O)c1[O-])N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21	ZINC000377122456	537957308	/nfs/dbraw/zinc/95/73/08/537957308.db2.gz	GDUOUBVPXLRGAO-STQMWFEESA-N	-1	3	368.389	1.747	20	10		FDCDHM
Cc1cc(N(C)C)ccc1CNS(=O)(=O)c1cccc(-c2nnn[n-]2)c1	ZINC000737271482	599085053	/nfs/dbraw/zinc/08/50/53/599085053.db2.gz	VXRCFXPNRWYEFA-UHFFFAOYSA-N	-1	3	372.454	1.720	20	10		FDCDHM
Cc1cc(N(C)C)ccc1CNS(=O)(=O)c1cccc(-c2nn[n-]n2)c1	ZINC000737271482	599085056	/nfs/dbraw/zinc/08/50/56/599085056.db2.gz	VXRCFXPNRWYEFA-UHFFFAOYSA-N	-1	3	372.454	1.720	20	10		FDCDHM
Cc1cc(C(=O)NCC[S@@](C)=O)c(C)n1-c1ccc(-c2nn[n-]n2)cc1	ZINC000737236676	599199823	/nfs/dbraw/zinc/19/98/23/599199823.db2.gz	QMSYOXQLXLGRPN-AREMUKBSSA-N	-1	3	372.454	1.383	20	10		FDCDHM
COc1ccc(O)c([C@@H](C)NC(=O)COc2ccccc2-c2nnn[n-]2)c1	ZINC000737105228	598779332	/nfs/dbraw/zinc/77/93/32/598779332.db2.gz	FOSHWNNPTYACHK-LLVKDONJSA-N	-1	3	369.381	1.837	20	10		FDCDHM
COc1ccc(O)c([C@@H](C)NC(=O)COc2ccccc2-c2nn[n-]n2)c1	ZINC000737105228	598779334	/nfs/dbraw/zinc/77/93/34/598779334.db2.gz	FOSHWNNPTYACHK-LLVKDONJSA-N	-1	3	369.381	1.837	20	10		FDCDHM
COc1ccc(O)c(CNC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)c1	ZINC000821838821	599674861	/nfs/dbraw/zinc/67/48/61/599674861.db2.gz	PUJNXNILFDAYMV-UHFFFAOYSA-N	-1	3	372.360	1.719	20	10		FDCDHM
COc1ccc(O)c(CNC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)c1	ZINC000821838821	599674862	/nfs/dbraw/zinc/67/48/62/599674862.db2.gz	PUJNXNILFDAYMV-UHFFFAOYSA-N	-1	3	372.360	1.719	20	10		FDCDHM
CN(Cc1ccccc1O)S(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1	ZINC000825981561	607627930	/nfs/dbraw/zinc/62/79/30/607627930.db2.gz	UTVXRIRFDJERBH-UHFFFAOYSA-N	-1	3	363.374	1.532	20	10		FDCDHM
CN(Cc1ccccc1O)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1	ZINC000825981561	607627931	/nfs/dbraw/zinc/62/79/31/607627931.db2.gz	UTVXRIRFDJERBH-UHFFFAOYSA-N	-1	3	363.374	1.532	20	10		FDCDHM
Cc1cc(C(=O)N2CC[C@H](O)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1	ZINC000822168523	606640089	/nfs/dbraw/zinc/64/00/89/606640089.db2.gz	PKTAAFNSSFEVAZ-HNNXBMFYSA-N	-1	3	352.398	1.481	20	10		FDCDHM
O=C1N=C(N2CCOCC2)SC1=Cc1ccc(F)c(-c2nnn[n-]2)c1	ZINC000826481698	608878024	/nfs/dbraw/zinc/87/80/24/608878024.db2.gz	GBNPBHNRVOIGFS-XYOKQWHBSA-N	-1	3	360.374	1.308	20	10		FDCDHM
O=C1N=C(N2CCOCC2)SC1=Cc1ccc(F)c(-c2nn[n-]n2)c1	ZINC000826481698	608878025	/nfs/dbraw/zinc/87/80/25/608878025.db2.gz	GBNPBHNRVOIGFS-XYOKQWHBSA-N	-1	3	360.374	1.308	20	10		FDCDHM
O=C(c1c[nH]c(-c2nnn[n-]2)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1	ZINC000826468791	609199261	/nfs/dbraw/zinc/19/92/61/609199261.db2.gz	HYGDEOWDPAOYTG-AWEZNQCLSA-N	-1	3	368.397	1.722	20	10		FDCDHM
O=C(c1c[nH]c(-c2nn[n-]n2)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1	ZINC000826468791	609199262	/nfs/dbraw/zinc/19/92/62/609199262.db2.gz	HYGDEOWDPAOYTG-AWEZNQCLSA-N	-1	3	368.397	1.722	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCC[C@@H]2CCCCO2)c1	ZINC000273636606	674557615	/nfs/dbraw/zinc/55/76/15/674557615.db2.gz	BYWFWKUIGNCLCK-ZDUSSCGKSA-N	-1	3	356.444	1.843	20	10		FDCDHM
CCN(C[C@@H](O)C(F)(F)F)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000275128515	674606778	/nfs/dbraw/zinc/60/67/78/674606778.db2.gz	JWYCOQACULEVID-LLVKDONJSA-N	-1	3	370.349	1.149	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H]2c2ncc[nH]2)c1	ZINC000378515137	678750251	/nfs/dbraw/zinc/75/02/51/678750251.db2.gz	AFJRKSQHIBYPTD-GFCCVEGCSA-N	-1	3	350.400	1.464	20	10		FDCDHM
O=C(Nc1cccc(C(=O)N2CCC[C@H](O)C2)c1)c1cccc(O)c1[O-]	ZINC000275118481	771350840	/nfs/dbraw/zinc/35/08/40/771350840.db2.gz	LXNKWHCHIKLZHY-AWEZNQCLSA-N	-1	3	356.378	1.947	20	10		FDCDHM
O=C(N[C@H]1CCOC1)OC[C@H]1CCCCN1C(=O)c1cccc(O)c1[O-]	ZINC000376472387	787964809	/nfs/dbraw/zinc/96/48/09/787964809.db2.gz	HBHQWLFWRYQXAY-QWHCGFSZSA-N	-1	3	364.398	1.608	20	10		FDCDHM
CCOC(=O)CNC(=O)C1CCN(Cc2cc(F)cc(F)c2[O-])CC1	ZINC000894093589	809901452	/nfs/dbraw/zinc/90/14/52/809901452.db2.gz	GWNVIYXHIAGTKE-UHFFFAOYSA-N	-1	3	356.369	1.562	20	10		FDCDHM
NS(=O)(=O)C[C@H]1CCN(Cc2cc(Br)cc(F)c2[O-])C1	ZINC000897052981	826831842	/nfs/dbraw/zinc/83/18/42/826831842.db2.gz	PHXRTRGPIIPPEO-QMMMGPOBSA-N	-1	3	367.240	1.404	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC[C@@H]([C@H]3CCCO3)C2)c1	ZINC000899625479	846505924	/nfs/dbraw/zinc/50/59/24/846505924.db2.gz	BIWHGTOKGDPHOT-IAQYHMDHSA-N	-1	3	354.428	1.405	20	10		FDCDHM
CN(C)c1ccc([C@H](C[N-]S(=O)(=O)c2c[nH]c(=O)s2)N(C)C)cc1	ZINC000908460754	855446816	/nfs/dbraw/zinc/44/68/16/855446816.db2.gz	YYCQLPCRUMSXPH-ZDUSSCGKSA-N	-1	3	370.500	1.496	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCC2(CO)CCCCC2)c1	ZINC000762877532	876910127	/nfs/dbraw/zinc/91/01/27/876910127.db2.gz	BWQFTTWBPPDAFY-UHFFFAOYSA-N	-1	3	356.444	1.436	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2ccn(-c3ccncc3)n2)c1	ZINC000733809507	922041347	/nfs/dbraw/zinc/04/13/47/922041347.db2.gz	SJSRVZSLOQSUNG-UHFFFAOYSA-N	-1	3	373.394	1.597	20	10		FDCDHM
Cc1cc(Br)c([O-])c(CN2CCC[C@@]3(C2)NC(=O)NC3=O)c1	ZINC000789767271	933169677	/nfs/dbraw/zinc/16/96/77/933169677.db2.gz	AOMQIDPQIFYDMM-HNNXBMFYSA-N	-1	3	368.231	1.637	20	10		FDCDHM
O=C(N[C@@H](C(=O)Nc1cn[nH]c1)c1ccccc1)c1cccc(O)c1[O-]	ZINC000790903363	933788031	/nfs/dbraw/zinc/78/80/31/933788031.db2.gz	AZXILMVHMHJVLB-OAHLLOKOSA-N	-1	3	352.350	1.931	20	10		FDCDHM
CN1CCN(C)[C@@H](CNC(=O)NCc2cc(Cl)cc(Cl)c2[O-])C1	ZINC000805101758	938661518	/nfs/dbraw/zinc/66/15/18/938661518.db2.gz	DPTXKKSTZHDFEE-LBPRGKRZSA-N	-1	3	361.273	1.744	20	10		FDCDHM
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(S(=O)(=O)[N-]C)oc1C	ZINC000808095487	940518393	/nfs/dbraw/zinc/51/83/93/940518393.db2.gz	GXFJMXLHWUDROS-UHFFFAOYSA-N	-1	3	373.427	1.617	20	10		FDCDHM
CCS(=O)(=O)N1CCN(Cc2cc(F)cc(C(C)=O)c2[O-])[C@H](C)C1	ZINC000805771822	944624891	/nfs/dbraw/zinc/62/48/91/944624891.db2.gz	AZXHFWVPGVKCDF-LLVKDONJSA-N	-1	3	358.435	1.590	20	10		FDCDHM
CCOC(=O)[C@@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC12COC2	ZINC000824490072	946470272	/nfs/dbraw/zinc/47/02/72/946470272.db2.gz	UFIBHLGALJGPDV-LBPRGKRZSA-N	-1	3	370.789	1.965	20	10		FDCDHM
COC(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(Br)cc1[O-]	ZINC000824509413	946526711	/nfs/dbraw/zinc/52/67/11/946526711.db2.gz	YFIJUVPJTPLVDE-LLVKDONJSA-N	-1	3	357.204	1.018	20	10		FDCDHM
C[C@H]1CN(Cc2ccc(Br)cc2[O-])CCN1S(C)(=O)=O	ZINC000825406312	947227730	/nfs/dbraw/zinc/22/77/30/947227730.db2.gz	RZLGMGBIVJFHLR-JTQLQIEISA-N	-1	3	363.277	1.620	20	10		FDCDHM
CCOc1ccc(C[NH+]2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)c([O-])c1	ZINC000844933217	948515587	/nfs/dbraw/zinc/51/55/87/948515587.db2.gz	DFLSDKLNTQAQCP-AWEZNQCLSA-N	-1	3	362.426	1.688	20	10		FDCDHM
CC[C@@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])[C@@H](CC)CO1	ZINC000846375399	951010333	/nfs/dbraw/zinc/01/03/33/951010333.db2.gz	OXDUHFOTXMAFAO-QWHCGFSZSA-N	-1	3	356.444	1.793	20	10		FDCDHM
Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)NCc1cc(Cl)ccc1O	ZINC000846660882	951444324	/nfs/dbraw/zinc/44/43/24/951444324.db2.gz	JMCXHOJZXJZNBH-UHFFFAOYSA-N	-1	3	373.818	1.245	20	10		FDCDHM
COC1([C@H](C)NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCOCC1	ZINC000857544160	971795347	/nfs/dbraw/zinc/79/53/47/971795347.db2.gz	HNRZVFSXGVUVDS-NSHDSACASA-N	-1	3	372.443	1.078	20	10		FDCDHM
O=C(c1cc(O)c([O-])c(O)c1)N1CCC2(CC1)OC(=O)Nc1ncccc12	ZINC001148584127	952757895	/nfs/dbraw/zinc/75/78/95/952757895.db2.gz	OZBILHUNLWEXHA-UHFFFAOYSA-N	-1	3	371.349	1.892	20	10		FDCDHM
CN(C)c1ccc([C@@H](CNC(=O)N2CCC[C@H](C(=O)[O-])C2)N(C)C)cc1	ZINC001341447760	957996949	/nfs/dbraw/zinc/99/69/49/957996949.db2.gz	BZQUOVKSOKEIQR-DOTOQJQBSA-N	-1	3	362.474	1.862	20	10		FDCDHM
CCOC(=O)C1(NC(=O)c2ccc(O)c([O-])c2Cl)CCN(C)CC1	ZINC001193236878	969565419	/nfs/dbraw/zinc/56/54/19/969565419.db2.gz	SFKHELVFKXXMFV-UHFFFAOYSA-N	-1	3	356.806	1.509	20	10		FDCDHM
CC(=O)NCc1ccc(S(=O)(=O)NCc2c([O-])cccc2F)s1	ZINC001195135984	970714048	/nfs/dbraw/zinc/71/40/48/970714048.db2.gz	DYXBTBAZAQZUJM-UHFFFAOYSA-N	-1	3	358.416	1.707	20	10		FDCDHM
Cc1ccc(S(=O)(=O)[N-]Cc2ccc(N3CCOCC3)c(F)c2)nn1	ZINC000866543617	975769008	/nfs/dbraw/zinc/76/90/08/975769008.db2.gz	YYCRRLHDEPXTDP-UHFFFAOYSA-N	-1	3	366.418	1.239	20	10		FDCDHM
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1cc(CO)on1	ZINC000866764072	976010058	/nfs/dbraw/zinc/01/00/58/976010058.db2.gz	KVGWEOHODAGOBR-ZDUSSCGKSA-N	-1	3	365.817	1.920	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H]2c2ncon2)c1	ZINC000848111309	976335020	/nfs/dbraw/zinc/33/50/20/976335020.db2.gz	CFQZQVFCJOUCLB-NSHDSACASA-N	-1	3	352.372	1.124	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C2CC2)[C@@H]2CCCCO2)c1	ZINC000848267924	976551899	/nfs/dbraw/zinc/55/18/99/976551899.db2.gz	WZQACZIESFPNLD-HOTGVXAUSA-N	-1	3	368.455	1.841	20	10		FDCDHM
CCCCOC(=O)C(C)(C)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000848327409	976620912	/nfs/dbraw/zinc/62/09/12/976620912.db2.gz	XWNHBTGUYPOASK-UHFFFAOYSA-N	-1	3	372.443	1.615	20	10		FDCDHM
C[C@@H](NC1CN(S(=O)(=O)N(C)C)C1)c1cccc(C(F)(F)F)c1[O-]	ZINC000858571389	982121988	/nfs/dbraw/zinc/12/19/88/982121988.db2.gz	FJNMYMAQNYSVGV-SECBINFHSA-N	-1	3	367.393	1.552	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC(c3ncco3)CC2)c1	ZINC000862109023	984126625	/nfs/dbraw/zinc/12/66/25/984126625.db2.gz	MGOHBNZKPIIGEE-UHFFFAOYSA-N	-1	3	365.411	1.772	20	10		FDCDHM
CCS(=O)(=O)N1CCN(Cc2c([O-])cccc2Br)CC1	ZINC000862215999	984257030	/nfs/dbraw/zinc/25/70/30/984257030.db2.gz	ILXLRNJHTCHCNP-UHFFFAOYSA-N	-1	3	363.277	1.622	20	10		FDCDHM
O=C(N[C@@H]1CCCN(Cc2noc(C3CC3)n2)C1)c1cccc(O)c1[O-]	ZINC000369079166	989023430	/nfs/dbraw/zinc/02/34/30/989023430.db2.gz	RTUPQNZQCMRSCP-GFCCVEGCSA-N	-1	3	358.398	1.753	20	10		FDCDHM
CN(C)c1ccc([C@H](CNC(=O)Nc2ccc(C(=O)[O-])nn2)N(C)C)cc1	ZINC001598313282	991289083	/nfs/dbraw/zinc/28/90/83/991289083.db2.gz	HHEUUCONURVQLF-HNNXBMFYSA-N	-1	3	372.429	1.665	20	10		FDCDHM
[O-]c1c(F)cccc1C[NH2+]C1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1	ZINC000826510934	996808017	/nfs/dbraw/zinc/80/80/17/996808017.db2.gz	SNXUDCIFTKPFNM-UHFFFAOYSA-N	-1	3	369.404	1.865	20	10		FDCDHM
CCCCN(C(=O)CN(C)Cc1ccccc1[O-])[C@H]1CCS(=O)(=O)C1	ZINC000111236485	524233166	/nfs/dbraw/zinc/23/31/66/524233166.db2.gz	UZICEYUYEWDGIH-INIZCTEOSA-N	-1	3	368.499	1.640	20	10		FDCDHM
CS(=O)(=O)N1CCCN(Cc2cc(Br)ccc2[O-])CC1	ZINC000125079491	525134225	/nfs/dbraw/zinc/13/42/25/525134225.db2.gz	GPKDESSPLSSREV-UHFFFAOYSA-N	-1	3	363.277	1.622	20	10		FDCDHM
O=C(C(=O)N1CCN(Cc2c([O-])cccc2Cl)CC1)N1CCCC1	ZINC000119437729	525745128	/nfs/dbraw/zinc/74/51/28/525745128.db2.gz	HGNNSMDVOZZLPP-UHFFFAOYSA-N	-1	3	351.834	1.312	20	10		FDCDHM
CC(=O)c1cc(F)cc(CN2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)c1[O-]	ZINC000133233749	526037118	/nfs/dbraw/zinc/03/71/18/526037118.db2.gz	ATDUMGYGFNOFRC-UHFFFAOYSA-N	-1	3	373.384	1.380	20	10		FDCDHM
C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)N(C)Cc1ccccc1[O-]	ZINC000109769864	526180472	/nfs/dbraw/zinc/18/04/72/526180472.db2.gz	ZWUNXEVOTYBOGS-OAHLLOKOSA-N	-1	3	371.437	1.790	20	10		FDCDHM
CCCN(C(=O)[C@@H](C)N(C)Cc1ccccc1[O-])[C@@H]1CCS(=O)(=O)C1	ZINC000109771451	526180899	/nfs/dbraw/zinc/18/08/99/526180899.db2.gz	UJBRRSGXIORGFU-GDBMZVCRSA-N	-1	3	368.499	1.638	20	10		FDCDHM
COc1c([O-])c(CN2CCCC[C@@H]2CNS(C)(=O)=O)ccc1[N+](=O)[O-]	ZINC000278192379	537277429	/nfs/dbraw/zinc/27/74/29/537277429.db2.gz	IEDLFBFVKDWJBO-GFCCVEGCSA-N	-1	3	373.431	1.213	20	10		FDCDHM
COc1c([O-])c(CN2CCCN(C(=O)c3ccc[nH]3)CC2)ccc1[N+](=O)[O-]	ZINC000365813361	537587641	/nfs/dbraw/zinc/58/76/41/537587641.db2.gz	FOVHBEMRUUENEB-UHFFFAOYSA-N	-1	3	374.397	1.985	20	10		FDCDHM
Cc1nccc(CN2CCC[C@H](NCc3cc([N+](=O)[O-])ccc3[O-])C2=O)n1	ZINC000371945806	537834193	/nfs/dbraw/zinc/83/41/93/537834193.db2.gz	BFIIGIHPUZUWPN-INIZCTEOSA-N	-1	3	371.397	1.680	20	10		FDCDHM
COc1c([O-])c(CN2CCN([C@H]3CCC[C@@H]3O)CC2)ccc1[N+](=O)[O-]	ZINC000373201996	538093181	/nfs/dbraw/zinc/09/31/81/538093181.db2.gz	BPJZLGVUAFUZGB-ZFWWWQNUSA-N	-1	3	351.403	1.340	20	10		FDCDHM
COc1ccc(O)c(CNC(=O)NCc2cccc(-c3nnn[n-]3)c2)c1	ZINC000737105261	598923758	/nfs/dbraw/zinc/92/37/58/598923758.db2.gz	FZKWUGQQNPTUQH-UHFFFAOYSA-N	-1	3	354.370	1.580	20	10		FDCDHM
COc1ccc(O)c(CNC(=O)NCc2cccc(-c3nn[n-]n3)c2)c1	ZINC000737105261	598923760	/nfs/dbraw/zinc/92/37/60/598923760.db2.gz	FZKWUGQQNPTUQH-UHFFFAOYSA-N	-1	3	354.370	1.580	20	10		FDCDHM
COC(=O)[C@@H](C)OC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C	ZINC000736890777	598623081	/nfs/dbraw/zinc/62/30/81/598623081.db2.gz	DWZLNYZFYVCHCZ-GFCCVEGCSA-N	-1	3	369.381	1.993	20	10		FDCDHM
O=C([O-])/C=C/c1ccc(N2CCN(C3CCOCC3)CC2)c([N+](=O)[O-])c1	ZINC000833196042	601335281	/nfs/dbraw/zinc/33/52/81/601335281.db2.gz	MOYOYHCDWCPGFN-DUXPYHPUSA-N	-1	3	361.398	1.994	20	10		FDCDHM
O=C([O-])N1CCN(C(=O)C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CC1	ZINC000740525109	602000954	/nfs/dbraw/zinc/00/09/54/602000954.db2.gz	CZLHYCNOAYOFLJ-UHFFFAOYSA-N	-1	3	369.421	1.971	20	10		FDCDHM
CN(C)c1ccc(CNC(=O)CNc2ccc(-c3nnn[n-]3)cn2)cc1	ZINC000825879970	608215864	/nfs/dbraw/zinc/21/58/64/608215864.db2.gz	UHBPKXXLMHSCBW-UHFFFAOYSA-N	-1	3	352.402	1.056	20	10		FDCDHM
CN(C)c1ccc(CNC(=O)CNc2ccc(-c3nn[n-]n3)cn2)cc1	ZINC000825879970	608215865	/nfs/dbraw/zinc/21/58/65/608215865.db2.gz	UHBPKXXLMHSCBW-UHFFFAOYSA-N	-1	3	352.402	1.056	20	10		FDCDHM
CN(C)c1ccc2c(c1)OCCN2C[C@H](O)c1ccc(-c2nnn[n-]2)cc1	ZINC000825879710	608418454	/nfs/dbraw/zinc/41/84/54/608418454.db2.gz	PGLBOBCNAYVBBY-KRWDZBQOSA-N	-1	3	366.425	1.865	20	10		FDCDHM
CN(C)c1ccc2c(c1)OCCN2C[C@H](O)c1ccc(-c2nn[n-]n2)cc1	ZINC000825879710	608418456	/nfs/dbraw/zinc/41/84/56/608418456.db2.gz	PGLBOBCNAYVBBY-KRWDZBQOSA-N	-1	3	366.425	1.865	20	10		FDCDHM
COc1ccc(N2CCN(c3cnccc3-c3nnn[n-]3)CC2)cc1F	ZINC000826209818	608791983	/nfs/dbraw/zinc/79/19/83/608791983.db2.gz	RUQHCWHYDOJVSI-UHFFFAOYSA-N	-1	3	355.377	1.736	20	10		FDCDHM
COc1ccc(N2CCN(c3cnccc3-c3nn[n-]n3)CC2)cc1F	ZINC000826209818	608791985	/nfs/dbraw/zinc/79/19/85/608791985.db2.gz	RUQHCWHYDOJVSI-UHFFFAOYSA-N	-1	3	355.377	1.736	20	10		FDCDHM
Cc1cc(C(=O)NCc2ncccn2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1	ZINC000826260053	608813632	/nfs/dbraw/zinc/81/36/32/608813632.db2.gz	SYTXGNZNXGVHEH-UHFFFAOYSA-N	-1	3	374.408	1.994	20	10		FDCDHM
O=C(C(=O)N1CCN(Cc2cc(Cl)ccc2[O-])CC1)N1CCCC1	ZINC000091928089	671514251	/nfs/dbraw/zinc/51/42/51/671514251.db2.gz	VOMHJFSYRROZTO-UHFFFAOYSA-N	-1	3	351.834	1.312	20	10		FDCDHM
CC(C)[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ncon1	ZINC000287124149	675912683	/nfs/dbraw/zinc/91/26/83/675912683.db2.gz	PVHFDAAFZRLFFA-LBPRGKRZSA-N	-1	3	354.388	1.274	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC[C@H](n3cccn3)C2)c1	ZINC000291083782	676243204	/nfs/dbraw/zinc/24/32/04/676243204.db2.gz	CEWKRZBMWBXMOX-LBPRGKRZSA-N	-1	3	350.400	1.047	20	10		FDCDHM
CC1(C)CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])[C@H]1[C@H]1CCCO1	ZINC000292665633	676304038	/nfs/dbraw/zinc/30/40/38/676304038.db2.gz	LVHCGHHSSQSOSU-CABCVRRESA-N	-1	3	368.455	1.793	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCCO[C@H]3CCC[C@@H]32)c1	ZINC000362337246	676915699	/nfs/dbraw/zinc/91/56/99/676915699.db2.gz	SUBDEDHSDTXQJE-ZFWWWQNUSA-N	-1	3	354.428	1.547	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H](OCC3CC3)C2)c1	ZINC000364441721	677018245	/nfs/dbraw/zinc/01/82/45/677018245.db2.gz	FSZVUKCQSUAKLE-AWEZNQCLSA-N	-1	3	368.455	1.795	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)c1	ZINC000367524812	677493278	/nfs/dbraw/zinc/49/32/78/677493278.db2.gz	OSGKWRNXAQXRHH-JKSUJKDBSA-N	-1	3	362.407	1.152	20	10		FDCDHM
C[C@]1(C2CCN(Cc3c([O-])ccc(Cl)c3F)CC2)NC(=O)NC1=O	ZINC000370653563	677602121	/nfs/dbraw/zinc/60/21/21/677602121.db2.gz	YZLQFRAQNMARMW-MRXNPFEDSA-N	-1	3	355.797	1.995	20	10		FDCDHM
O=S(=O)(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)[C@@H]1CCOC1	ZINC000378235476	678723934	/nfs/dbraw/zinc/72/39/34/678723934.db2.gz	RCIUJEVACWJRIV-HUUCEWRRSA-N	-1	3	374.890	1.718	20	10		FDCDHM
O=C(N[C@@H]1CCOC1)OC[C@H]1CCCCN1C(=O)c1cccc(O)c1[O-]	ZINC000376472377	787964843	/nfs/dbraw/zinc/96/48/43/787964843.db2.gz	HBHQWLFWRYQXAY-CHWSQXEVSA-N	-1	3	364.398	1.608	20	10		FDCDHM
O=C(Cc1ccccn1)N1CCCN(C(=O)c2cccc(O)c2[O-])CC1	ZINC000363996272	794889704	/nfs/dbraw/zinc/88/97/04/794889704.db2.gz	ACBZGFPAUKYGQA-UHFFFAOYSA-N	-1	3	355.394	1.410	20	10		FDCDHM
CC(C)(CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])n1ccnc1	ZINC001168359136	843005569	/nfs/dbraw/zinc/00/55/69/843005569.db2.gz	OHBSWGAWYMHANT-UHFFFAOYSA-N	-1	3	352.416	1.125	20	10		FDCDHM
C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)NCc1c([O-])cccc1F	ZINC000921326482	887742304	/nfs/dbraw/zinc/74/23/04/887742304.db2.gz	LSGNPKZHYVSHIJ-MFKMUULPSA-N	-1	3	359.423	1.001	20	10		FDCDHM
COC(=O)CN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C1CCCC1	ZINC000770008006	929795046	/nfs/dbraw/zinc/79/50/46/929795046.db2.gz	CBFOSUMDUPZRSL-UHFFFAOYSA-N	-1	3	370.427	1.322	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H](CO)c2ccc(F)cc2)c1	ZINC000771134535	930490685	/nfs/dbraw/zinc/49/06/85/930490685.db2.gz	AGMLKMGCIOKKEJ-AWEZNQCLSA-N	-1	3	368.386	1.366	20	10		FDCDHM
CC[C@@H]1COC(C)(C)CN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000846370781	951029022	/nfs/dbraw/zinc/02/90/22/951029022.db2.gz	QGBOPBKZLSROAT-GFCCVEGCSA-N	-1	3	356.444	1.793	20	10		FDCDHM
CC(C)(C)OC(=O)N1CC[C@@H](OCCNC(=O)c2cccc(O)c2[O-])C1	ZINC001148224351	952654257	/nfs/dbraw/zinc/65/42/57/952654257.db2.gz	IDDYZCDPFAGYKQ-GFCCVEGCSA-N	-1	3	366.414	1.854	20	10		FDCDHM
CCOC(=O)c1cnn2ccc(NC(=O)c3cc(O)c([O-])c(O)c3)cc12	ZINC001148582129	952757287	/nfs/dbraw/zinc/75/72/87/952757287.db2.gz	XWMPRJZZHCPCRR-UHFFFAOYSA-N	-1	3	357.322	1.880	20	10		FDCDHM
CNS(=O)(=O)CCc1ccc(NC(=O)c2cc(O)c([O-])c(O)c2)cc1	ZINC001148587095	952759892	/nfs/dbraw/zinc/75/98/92/952759892.db2.gz	DEODPVGJKIPVDW-UHFFFAOYSA-N	-1	3	366.395	1.147	20	10		FDCDHM
CC(C)(C)OC(=O)N1CCOC[C@@H]1CNC(=O)c1cc(O)c([O-])c(O)c1	ZINC001148589727	952760475	/nfs/dbraw/zinc/76/04/75/952760475.db2.gz	IYIBCWBQHAIRMQ-NSHDSACASA-N	-1	3	368.386	1.169	20	10		FDCDHM
Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)N[C@H]3CCCN(C)C3)cc12	ZINC001184361072	963541105	/nfs/dbraw/zinc/54/11/05/963541105.db2.gz	CYRONJVIJBXYAP-HNNXBMFYSA-N	-1	3	373.453	1.449	20	10		FDCDHM
COc1c([O-])c(CNc2cccc(C(=O)NCC(N)=O)c2)ccc1[N+](=O)[O-]	ZINC000774930638	964114904	/nfs/dbraw/zinc/11/49/04/964114904.db2.gz	SKSDPANRGNGTOE-UHFFFAOYSA-N	-1	3	374.353	1.136	20	10		FDCDHM
CC(=O)N1CCN(c2ccc(CNc3cc[n-]c(=O)c3[N+](=O)[O-])cc2)CC1	ZINC000853519127	968071576	/nfs/dbraw/zinc/07/15/76/968071576.db2.gz	AGOXMVMZEHZJKD-UHFFFAOYSA-N	-1	3	371.397	1.976	20	10		FDCDHM
C[C@H](NC(=O)c1cccc(O)c1[O-])c1cccc(NS(C)(=O)=O)c1	ZINC000776333797	975844661	/nfs/dbraw/zinc/84/46/61/975844661.db2.gz	PUIZYBRDZRYMGI-JTQLQIEISA-N	-1	3	350.396	1.960	20	10		FDCDHM
COc1ccc(N2CCC([N-]S(=O)(=O)c3conc3C)CC2)cc1	ZINC000866709530	975940747	/nfs/dbraw/zinc/94/07/47/975940747.db2.gz	KTAJVTTVEYRGQS-UHFFFAOYSA-N	-1	3	351.428	1.939	20	10		FDCDHM
O=C([O-])c1cnn2c1[nH]c(CN1CCC[C@H]([C@H]3CCCCO3)C1)cc2=O	ZINC000849344731	977444400	/nfs/dbraw/zinc/44/44/00/977444400.db2.gz	CPUVQVWDQOTHFT-SWLSCSKDSA-N	-1	3	360.414	1.914	20	10		FDCDHM
CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C=Cc1ccc(O)c(O)c1	ZINC000825958006	993225156	/nfs/dbraw/zinc/22/51/56/993225156.db2.gz	LEXUMNWCZJDCKJ-WEVVVXLNSA-N	-1	3	351.366	1.950	20	10		FDCDHM
CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C=Cc1ccc(O)c(O)c1	ZINC000825958006	993225164	/nfs/dbraw/zinc/22/51/64/993225164.db2.gz	LEXUMNWCZJDCKJ-WEVVVXLNSA-N	-1	3	351.366	1.950	20	10		FDCDHM
C[C@H](N[C@@H]1CCN(CCC(=O)[O-])C1=O)c1ccc(N2CCOCC2)cc1	ZINC001593218037	994278889	/nfs/dbraw/zinc/27/88/89/994278889.db2.gz	DTJUDBCMEDXGRY-WMLDXEAASA-N	-1	3	361.442	1.249	20	10		FDCDHM
COC(=O)/C=C/c1ccc(N2CCN(C)C[C@H](C(=O)[O-])C2)c([N+](=O)[O-])c1	ZINC001598834608	996472202	/nfs/dbraw/zinc/47/22/02/996472202.db2.gz	LMULTSCFOYYRIB-BPJJOFIESA-N	-1	3	363.370	1.234	20	10		FDCDHM
COc1cc(Br)cc(CN2CC[C@](OC)(C(=O)[O-])C2)c1O	ZINC001599346616	998018287	/nfs/dbraw/zinc/01/82/87/998018287.db2.gz	MFCVIUGHUROJLW-CQSZACIVSA-N	-1	3	360.204	1.839	20	10		FDCDHM
O=C(c1cccc(O)c1[O-])N1CCC2(CC1)CNC(=O)c1ccccc1O2	ZINC000928110794	1001388564	/nfs/dbraw/zinc/38/85/64/1001388564.db2.gz	IKMRPAXNKRHSEG-UHFFFAOYSA-N	-1	3	368.389	1.895	20	10		FDCDHM
CCS(=O)(=O)N[C@H](CCSC)C(=O)NCc1c([O-])cccc1F	ZINC000928711169	1001632781	/nfs/dbraw/zinc/63/27/81/1001632781.db2.gz	GDKPAXPYJZZCQN-GFCCVEGCSA-N	-1	3	364.464	1.209	20	10		FDCDHM
COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@@H]1C[C@H]2COC[C@H]2O1	ZINC000929975363	1002685140	/nfs/dbraw/zinc/68/51/40/1002685140.db2.gz	GFRXFUHVMBVIII-DUVNUKRYSA-N	-1	3	355.818	1.825	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC[C@H]2CSCCS2)c1	ZINC000268000948	674052096	/nfs/dbraw/zinc/05/20/96/674052096.db2.gz	NSIBQVAGOHMGRI-JTQLQIEISA-N	-1	3	362.498	1.342	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N(C[C@H]2CCOC2)C2CC2)c1	ZINC000271225704	674324884	/nfs/dbraw/zinc/32/48/84/674324884.db2.gz	HEUADHNFZUIZIR-LLVKDONJSA-N	-1	3	354.428	1.405	20	10		FDCDHM
Cn1ncc2c1CCC[C@H]2NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000055222634	523771861	/nfs/dbraw/zinc/77/18/61/523771861.db2.gz	LUESEBIVISYHRQ-CYBMUJFWSA-N	-1	3	364.427	1.305	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCSC(F)(F)F)c1	ZINC000055281125	523787037	/nfs/dbraw/zinc/78/70/37/523787037.db2.gz	KTMPKSXGSLMEHV-UHFFFAOYSA-N	-1	3	358.363	1.747	20	10		FDCDHM
O=S(=O)(c1c[nH]c2ncccc12)N1CCN(Cc2ccccc2[O-])CC1	ZINC000179562815	525601473	/nfs/dbraw/zinc/60/14/73/525601473.db2.gz	YCRFXPUZWAFJEI-UHFFFAOYSA-N	-1	3	372.450	1.775	20	10		FDCDHM
O=S(=O)([N-]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1ccco1	ZINC000188707737	536932334	/nfs/dbraw/zinc/93/23/34/536932334.db2.gz	RDOVXGNYGOPPPW-UHFFFAOYSA-N	-1	3	354.403	1.858	20	10		FDCDHM
C[C@@]1(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCO[C@@H]1C1CC1	ZINC000273499636	537455535	/nfs/dbraw/zinc/45/55/35/537455535.db2.gz	NWGAFHRRTNKJBK-GDBMZVCRSA-N	-1	3	354.428	1.451	20	10		FDCDHM
CC[C@@H](N[C@@H](C)c1cc(C(=O)OC)ccc1[O-])C(=O)N1CCOCC1	ZINC000273551279	537469053	/nfs/dbraw/zinc/46/90/53/537469053.db2.gz	GBKKERWJSMXRAK-SWLSCSKDSA-N	-1	3	350.415	1.467	20	10		FDCDHM
COc1cc(Cl)cc(CN2CCC[C@H](n3cc(CO)nn3)C2)c1[O-]	ZINC000293757311	537583279	/nfs/dbraw/zinc/58/32/79/537583279.db2.gz	XKSYVLCVPKWALT-AWEZNQCLSA-N	-1	3	352.822	1.975	20	10		FDCDHM
C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCCc1ccc(N)cc1	ZINC000237353755	537624494	/nfs/dbraw/zinc/62/44/94/537624494.db2.gz	ZYIYMWQHQFHMHZ-LLVKDONJSA-N	-1	3	353.469	1.356	20	10		FDCDHM
COC(=O)Cn1cc(CN(Cc2ccccc2[O-])C[C@@H]2CCCO2)nn1	ZINC000294591338	537707659	/nfs/dbraw/zinc/70/76/59/537707659.db2.gz	SAGFRLQFZICPSG-INIZCTEOSA-N	-1	3	360.414	1.338	20	10		FDCDHM
CC[C@H](C)[C@H]([N-]S(C)(=O)=O)C(=O)N1CCOc2cc(N(C)C)ccc21	ZINC000570103368	549158884	/nfs/dbraw/zinc/15/88/84/549158884.db2.gz	VEJIDKFGJMHVJF-LRDDRELGSA-N	-1	3	369.487	1.442	20	10		FDCDHM
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C	ZINC000571824623	549774128	/nfs/dbraw/zinc/77/41/28/549774128.db2.gz	QMYLKRAXLYHVPP-HNNXBMFYSA-N	-1	3	369.487	1.442	20	10		FDCDHM
COCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C1=CC(=O)CS1	ZINC000737001979	598718904	/nfs/dbraw/zinc/71/89/04/598718904.db2.gz	IBIBJMKVRAYNBP-UHFFFAOYSA-N	-1	3	359.411	1.923	20	10		FDCDHM
COc1ccc(O)c([C@H](C)NC(=O)COc2cccc(-c3nnn[n-]3)c2)c1	ZINC000737106232	598779415	/nfs/dbraw/zinc/77/94/15/598779415.db2.gz	QFWWNCXBJVSSDV-NSHDSACASA-N	-1	3	369.381	1.837	20	10		FDCDHM
COc1ccc(O)c([C@H](C)NC(=O)COc2cccc(-c3nn[n-]n3)c2)c1	ZINC000737106232	598779417	/nfs/dbraw/zinc/77/94/17/598779417.db2.gz	QFWWNCXBJVSSDV-NSHDSACASA-N	-1	3	369.381	1.837	20	10		FDCDHM
O=S(=O)(NCc1ccccc1O)c1ccc(-c2nnn[n-]2)c(Cl)c1	ZINC000826492032	607625422	/nfs/dbraw/zinc/62/54/22/607625422.db2.gz	PGWKQSPOJADFOF-UHFFFAOYSA-N	-1	3	365.802	1.704	20	10		FDCDHM
O=S(=O)(NCc1ccccc1O)c1ccc(-c2nn[n-]n2)c(Cl)c1	ZINC000826492032	607625423	/nfs/dbraw/zinc/62/54/23/607625423.db2.gz	PGWKQSPOJADFOF-UHFFFAOYSA-N	-1	3	365.802	1.704	20	10		FDCDHM
CCOC(=O)[C@H](C)[C@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000273457401	674539199	/nfs/dbraw/zinc/53/91/99/674539199.db2.gz	IBANSPWRQVZCER-ZJUUUORDSA-N	-1	3	358.416	1.081	20	10		FDCDHM
COc1ccc(N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)cc1F	ZINC000821831781	606633880	/nfs/dbraw/zinc/63/38/80/606633880.db2.gz	MKEXPYMTTAXLCX-UHFFFAOYSA-N	-1	3	355.377	1.736	20	10		FDCDHM
COc1ccc(N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)cc1F	ZINC000821831781	606633881	/nfs/dbraw/zinc/63/38/81/606633881.db2.gz	MKEXPYMTTAXLCX-UHFFFAOYSA-N	-1	3	355.377	1.736	20	10		FDCDHM
Cc1cc(C(=O)NC[C@H](O)C2CC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1	ZINC000822177415	607111168	/nfs/dbraw/zinc/11/11/68/607111168.db2.gz	YSQOZDBIGLVDLN-KRWDZBQOSA-N	-1	3	366.425	1.775	20	10		FDCDHM
COc1ccc(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cn1	ZINC000055162530	671228628	/nfs/dbraw/zinc/22/86/28/671228628.db2.gz	VNZZWLUEXUBEKF-UHFFFAOYSA-N	-1	3	351.384	1.097	20	10		FDCDHM
CCO[C@H](CCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C(C)C	ZINC000266832727	673200593	/nfs/dbraw/zinc/20/05/93/673200593.db2.gz	ILEBXUICDWISNK-OAHLLOKOSA-N	-1	3	358.460	1.945	20	10		FDCDHM
O=C1NC(=O)[C@]2(CCCN(Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])C2)N1	ZINC000279349872	675280648	/nfs/dbraw/zinc/28/06/48/675280648.db2.gz	GEWZBMRERXCGLV-CQSZACIVSA-N	-1	3	354.750	1.128	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCCO[C@H]3CCC[C@H]32)c1	ZINC000362337134	676915599	/nfs/dbraw/zinc/91/55/99/676915599.db2.gz	SUBDEDHSDTXQJE-HIFRSBDPSA-N	-1	3	354.428	1.547	20	10		FDCDHM
C[C@@]1(C2CCN(Cc3c([O-])ccc(Cl)c3F)CC2)NC(=O)NC1=O	ZINC000370653561	677602213	/nfs/dbraw/zinc/60/22/13/677602213.db2.gz	YZLQFRAQNMARMW-INIZCTEOSA-N	-1	3	355.797	1.995	20	10		FDCDHM
CNC(=O)NC[C@@H]1CN(Cc2cc(Br)ccc2[O-])CCO1	ZINC000529644766	694790832	/nfs/dbraw/zinc/79/08/32/694790832.db2.gz	XEFJPKJKWARIKU-GFCCVEGCSA-N	-1	3	358.236	1.285	20	10		FDCDHM
O=C1NC(=O)[C@@]2(CCCN(Cc3cc(Br)cc(F)c3[O-])C2)N1	ZINC000894596367	818237443	/nfs/dbraw/zinc/23/74/43/818237443.db2.gz	XBWMRPDELRZZLO-AWEZNQCLSA-N	-1	3	372.194	1.468	20	10		FDCDHM
Cc1nc(C)c(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c(=O)[n-]1	ZINC000057371751	863141454	/nfs/dbraw/zinc/14/14/54/863141454.db2.gz	XMOWFAMSJXVJFD-UHFFFAOYSA-N	-1	3	374.416	1.221	20	10		FDCDHM
O=C(COc1ccccc1)N1CC[C@H](NC(=O)c2cccc(O)c2[O-])C1	ZINC000282362012	878487095	/nfs/dbraw/zinc/48/70/95/878487095.db2.gz	BIYILXOKQAHUIP-ZDUSSCGKSA-N	-1	3	356.378	1.508	20	10		FDCDHM
CN1CCN(c2ccc(-c3noc(-c4cc([O-])[nH]c(=O)c4)n3)cc2)CC1	ZINC001212566429	885101220	/nfs/dbraw/zinc/10/12/20/885101220.db2.gz	TTWCKNJDZPKJBB-UHFFFAOYSA-N	-1	3	353.382	1.962	20	10		FDCDHM
CC[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)NCc1c([O-])cccc1F	ZINC000921512860	907183319	/nfs/dbraw/zinc/18/33/19/907183319.db2.gz	YUHHSIGJOWBZOS-FZMZJTMJSA-N	-1	3	373.450	1.391	20	10		FDCDHM
C[C@](O)(CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccccc1	ZINC000734024590	922815895	/nfs/dbraw/zinc/81/58/95/922815895.db2.gz	TUAUTKBXOCQCRR-KRWDZBQOSA-N	-1	3	364.423	1.401	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H]3COCC[C@@H]32)c1	ZINC000769977945	929780401	/nfs/dbraw/zinc/78/04/01/929780401.db2.gz	GFVBFACLWWKXBT-RISCZKNCSA-N	-1	3	354.428	1.405	20	10		FDCDHM
O=C(c1cccc(O)c1[O-])N1CCN(Cc2ccc3c(c2)OCCO3)CC1	ZINC000790483193	933571206	/nfs/dbraw/zinc/57/12/06/933571206.db2.gz	DBHVXMPPYYCRTK-UHFFFAOYSA-N	-1	3	370.405	1.827	20	10		FDCDHM
Cc1c(CN(C)C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cnn1C	ZINC000791078683	933862383	/nfs/dbraw/zinc/86/23/83/933862383.db2.gz	VOOHIEHKURRJNB-UHFFFAOYSA-N	-1	3	352.416	1.078	20	10		FDCDHM
Cn1c(=O)n(C)c2cc(NC(=O)/C=C/c3ccc(O)c(O)c3)c([O-])cc21	ZINC000794211848	938377305	/nfs/dbraw/zinc/37/73/05/938377305.db2.gz	XQSQGJYECCRGFF-GQCTYLIASA-N	-1	3	355.350	1.646	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCC2(C(F)(F)F)CC2)c1	ZINC000804605545	938485331	/nfs/dbraw/zinc/48/53/31/938485331.db2.gz	ULOHTUKANQUKNZ-UHFFFAOYSA-N	-1	3	352.334	1.836	20	10		FDCDHM
O=C(c1cccc(O)c1[O-])N1C[C@@H]2COC[C@]2(COc2ncccc2F)C1	ZINC001148213900	952648236	/nfs/dbraw/zinc/64/82/36/952648236.db2.gz	MZJIMAOZZWYGBH-BLVKFPJESA-N	-1	3	374.368	1.800	20	10		FDCDHM
CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cccc(O)c2[O-])CC12COC2	ZINC001148218634	952652221	/nfs/dbraw/zinc/65/22/21/952652221.db2.gz	JBHBASOYBUIFBL-CYBMUJFWSA-N	-1	3	364.398	1.464	20	10		FDCDHM
CC(C)CC1(NC(=O)c2cc(O)c([O-])c(O)c2)CCS(=O)(=O)CC1	ZINC001148590460	952761337	/nfs/dbraw/zinc/76/13/37/952761337.db2.gz	KVCWFOKIIIDRPK-UHFFFAOYSA-N	-1	3	357.428	1.527	20	10		FDCDHM
COc1cc(C)c(C[NH+]2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)c([O-])c1	ZINC001594054141	958010683	/nfs/dbraw/zinc/01/06/83/958010683.db2.gz	KEBJPGWOGOJQOR-ZDUSSCGKSA-N	-1	3	362.426	1.607	20	10		FDCDHM
C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccccc1O	ZINC001171723440	961271176	/nfs/dbraw/zinc/27/11/76/961271176.db2.gz	QZZIWRUIEJZIMS-SNVBAGLBSA-N	-1	3	350.396	1.960	20	10		FDCDHM
C[C@@]1(O)C=C[C@@H](O)C(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])=C1	ZINC001183541067	963097852	/nfs/dbraw/zinc/09/78/52/963097852.db2.gz	ASMKJOOLIOOWIO-RDTXWAMCSA-N	-1	3	360.797	1.818	20	10		FDCDHM
CN(Cc1cccc(=O)[nH]1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC001178776792	964471483	/nfs/dbraw/zinc/47/14/83/964471483.db2.gz	NZBPNOMACHDXGE-UHFFFAOYSA-N	-1	3	351.384	1.137	20	10		FDCDHM
COc1c([O-])c(CNc2cccc(S(N)(=O)=O)c2)ccc1[N+](=O)[O-]	ZINC000775058479	964825716	/nfs/dbraw/zinc/82/57/16/964825716.db2.gz	ZQONDPJCYIOKLQ-UHFFFAOYSA-N	-1	3	353.356	1.569	20	10		FDCDHM
O=S(=O)([N-]c1ccc(O)cc1)c1ccc(N2CCCS2(=O)=O)cc1	ZINC000776745128	968941374	/nfs/dbraw/zinc/94/13/74/968941374.db2.gz	SENVGSASRHTTJW-UHFFFAOYSA-N	-1	3	368.436	1.733	20	10		FDCDHM
CC(=O)c1cc(F)cc(CN2CCOC3(CCS(=O)(=O)CC3)C2)c1[O-]	ZINC001198733036	973435395	/nfs/dbraw/zinc/43/53/95/973435395.db2.gz	WETLSZJSZVFXIG-UHFFFAOYSA-N	-1	3	371.430	1.514	20	10		FDCDHM
C[C@@H]([N-]S(=O)(=O)N=S(C)(C)=O)c1ccc(N2CCOCC2)cc1	ZINC000866606265	975829906	/nfs/dbraw/zinc/82/99/06/975829906.db2.gz	UBVQSQWETVZCHU-GFCCVEGCSA-N	-1	3	361.489	1.146	20	10		FDCDHM
COc1ccc(N2CC[C@@H]([N-]S(=O)(=O)c3cn(C)c(Cl)n3)C2)cc1	ZINC000849415525	977538689	/nfs/dbraw/zinc/53/86/89/977538689.db2.gz	BJORKIHRQXLJHG-LLVKDONJSA-N	-1	3	370.862	1.639	20	10		FDCDHM
O=S(=O)(CCO)c1ccc(CNCc2cc(F)cc(F)c2[O-])cc1	ZINC000883102709	981947420	/nfs/dbraw/zinc/94/74/20/981947420.db2.gz	YQKHDJKVJWQGTC-UHFFFAOYSA-N	-1	3	357.378	1.726	20	10		FDCDHM
C[C@H](NCc1nnc2n1CCNC2=O)c1cc(Br)ccc1[O-]	ZINC000883304219	982060836	/nfs/dbraw/zinc/06/08/36/982060836.db2.gz	PUNUDJPAHAKPOA-QMMMGPOBSA-N	-1	3	366.219	1.340	20	10		FDCDHM
Cn1ccnc1[C@]([O-])(C[NH2+]Cc1ccc(F)c(F)c1[O-])C(F)(F)F	ZINC000877147807	993071159	/nfs/dbraw/zinc/07/11/59/993071159.db2.gz	AKAGJUSAZGQJNL-CYBMUJFWSA-N	-1	3	351.275	1.944	20	10		FDCDHM
CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C=Cc1ccc(O)c(O)c1	ZINC000825958003	993225415	/nfs/dbraw/zinc/22/54/15/993225415.db2.gz	LEXUMNWCZJDCKJ-UITAMQMPSA-N	-1	3	351.366	1.950	20	10		FDCDHM
CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C=Cc1ccc(O)c(O)c1	ZINC000825958003	993225423	/nfs/dbraw/zinc/22/54/23/993225423.db2.gz	LEXUMNWCZJDCKJ-UITAMQMPSA-N	-1	3	351.366	1.950	20	10		FDCDHM
COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@@H](O)C[C@@](C)(O)C1CC1	ZINC000878243101	993826724	/nfs/dbraw/zinc/82/67/24/993826724.db2.gz	ULEIHXLEBKXXDL-MAUKXSAKSA-N	-1	3	371.861	1.933	20	10		FDCDHM
C[C@@H]([NH2+]C1CCN(CCS(C)(=O)=O)CC1)c1cc(C(=O)[O-])ccc1[O-]	ZINC001593218856	994292620	/nfs/dbraw/zinc/29/26/20/994292620.db2.gz	LFDMSRZXUWQFDL-GFCCVEGCSA-N	-1	3	370.471	1.250	20	10		FDCDHM
COC(=O)[C@H]1CCN(Cc2cc(Cl)cc(OC)c2O)[C@@H](C(=O)[O-])C1	ZINC001598797081	996115256	/nfs/dbraw/zinc/11/52/56/996115256.db2.gz	AFHJMFVYNXKBGJ-JOYOIKCWSA-N	-1	3	357.790	1.892	20	10		FDCDHM
CCCCS(=O)(=O)N1CCC[C@H]1C(=O)NCc1c([O-])cccc1F	ZINC000928711584	1001633692	/nfs/dbraw/zinc/63/36/92/1001633692.db2.gz	JKKJKXYHAAICAR-AWEZNQCLSA-N	-1	3	358.435	1.742	20	10		FDCDHM
CCC[C@](C)(NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C(=O)OC	ZINC000271208581	674322850	/nfs/dbraw/zinc/32/28/50/674322850.db2.gz	COSDJBAWTRNTOW-HNNXBMFYSA-N	-1	3	358.416	1.225	20	10		FDCDHM
COC1CCC(N(C)C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1	ZINC000271225147	674324623	/nfs/dbraw/zinc/32/46/23/674324623.db2.gz	DMKLIPMYAYRICX-UHFFFAOYSA-N	-1	3	356.444	1.793	20	10		FDCDHM
CC[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@H](O)C(F)(F)F	ZINC000271355659	674336091	/nfs/dbraw/zinc/33/60/91/674336091.db2.gz	DHGYJVHMWGNRSQ-KOLCDFICSA-N	-1	3	370.349	1.195	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCS[C@@H]3COCC[C@H]32)c1	ZINC000271372702	674337779	/nfs/dbraw/zinc/33/77/79/674337779.db2.gz	JHIBXBWKZXJKNX-TZMCWYRMSA-N	-1	3	372.468	1.110	20	10		FDCDHM
CN(C)c1nc(N)nc(CN(Cc2ccccc2[O-])C[C@H]2CCCO2)n1	ZINC000083171138	524242334	/nfs/dbraw/zinc/24/23/34/524242334.db2.gz	BNYLXLDNAAJMNS-CQSZACIVSA-N	-1	3	358.446	1.407	20	10		FDCDHM
O=C(NC1CC1)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1	ZINC000115632159	525035257	/nfs/dbraw/zinc/03/52/57/525035257.db2.gz	FKJMVKLOKAIVGA-CQSZACIVSA-N	-1	3	351.834	1.405	20	10		FDCDHM
O=S(=O)(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1c[nH]cn1	ZINC000161833564	525177584	/nfs/dbraw/zinc/17/75/84/525177584.db2.gz	RVKKQYUWVDFFQV-CYBMUJFWSA-N	-1	3	370.862	1.712	20	10		FDCDHM
COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)c1cn(C)nc1C	ZINC000181587166	525875901	/nfs/dbraw/zinc/87/59/01/525875901.db2.gz	QCBFQDSRDKXCHP-UHFFFAOYSA-N	-1	3	351.790	1.903	20	10		FDCDHM
O=C(N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO)c1cccc(O)c1[O-]	ZINC000185871828	536219712	/nfs/dbraw/zinc/21/97/12/536219712.db2.gz	LRYOVLKRKFYHPS-NVXWUHKLSA-N	-1	3	356.422	1.711	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2[C@H]3Cc4ccccc4[C@@H]23)c1	ZINC000247974875	537160724	/nfs/dbraw/zinc/16/07/24/537160724.db2.gz	KMHHCPCOCFKCFF-USXIJHARSA-N	-1	3	358.419	1.832	20	10		FDCDHM
COc1c([O-])c(CNCc2cccnc2N2CCOCC2)ccc1[N+](=O)[O-]	ZINC000278566608	537339729	/nfs/dbraw/zinc/33/97/29/537339729.db2.gz	BYBGBNVMOOCZQA-UHFFFAOYSA-N	-1	3	374.397	1.830	20	10		FDCDHM
O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1CCCN1CCOC1=O	ZINC000279959522	537359056	/nfs/dbraw/zinc/35/90/56/537359056.db2.gz	CFSZVTDVIPIRKR-UHFFFAOYSA-N	-1	3	367.789	1.652	20	10		FDCDHM
COC(=O)[C@@H]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C[C@@H]1C	ZINC000276589038	537591045	/nfs/dbraw/zinc/59/10/45/537591045.db2.gz	KSFSMSPJUYTCPX-CMPLNLGQSA-N	-1	3	370.427	1.035	20	10		FDCDHM
COC(=O)[C@H]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C[C@@H]1C	ZINC000276589042	537591372	/nfs/dbraw/zinc/59/13/72/537591372.db2.gz	KSFSMSPJUYTCPX-JQWIXIFHSA-N	-1	3	370.427	1.035	20	10		FDCDHM
CSCC[C@H](NC(=O)[O-])C(=O)C(=O)C1CC(=O)Nc2cc(F)ccc21	ZINC000371375959	537827921	/nfs/dbraw/zinc/82/79/21/537827921.db2.gz	WQXBVXNDSNOWLP-MNOVXSKESA-N	-1	3	368.386	1.779	20	10		FDCDHM
Cc1cc(Br)cc(CN2CCC(S(N)(=O)=O)CC2)c1[O-]	ZINC000369047411	537997780	/nfs/dbraw/zinc/99/77/80/537997780.db2.gz	KFWMSLPSDDFZJR-UHFFFAOYSA-N	-1	3	363.277	1.716	20	10		FDCDHM
COc1cc(Br)cc(CN2CC[C@@H]3OCC(=O)N[C@@H]3C2)c1[O-]	ZINC000370716640	538091422	/nfs/dbraw/zinc/09/14/22/538091422.db2.gz	NKNDUFTYZISEGF-NEPJUHHUSA-N	-1	3	371.231	1.253	20	10		FDCDHM
Cc1cc(C(=O)O[C@@H]2CCOC2=O)c(C)n1-c1ccc(-c2nn[n-]n2)cc1	ZINC000737238950	598623228	/nfs/dbraw/zinc/62/32/28/598623228.db2.gz	VJWNBCVJLDNVRU-OAHLLOKOSA-N	-1	3	367.365	1.747	20	10		FDCDHM
C[C@H](NC(=O)[O-])[C@@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2)CCO1	ZINC000833818803	605994370	/nfs/dbraw/zinc/99/43/70/605994370.db2.gz	MIFNFUOEBJSHBC-YJBOKZPZSA-N	-1	3	362.474	1.295	20	10		FDCDHM
CCOC(=O)[C@H](C)[C@@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000273457392	674539273	/nfs/dbraw/zinc/53/92/73/674539273.db2.gz	IBANSPWRQVZCER-NXEZZACHSA-N	-1	3	358.416	1.081	20	10		FDCDHM
OC1CCN(c2ccc(CNc3cnccc3-c3nnn[n-]3)cc2F)CC1	ZINC000826507802	607840835	/nfs/dbraw/zinc/84/08/35/607840835.db2.gz	WSYVSZOKCFDROK-UHFFFAOYSA-N	-1	3	369.404	1.974	20	10		FDCDHM
OC1CCN(c2ccc(CNc3cnccc3-c3nn[n-]n3)cc2F)CC1	ZINC000826507802	607840836	/nfs/dbraw/zinc/84/08/36/607840836.db2.gz	WSYVSZOKCFDROK-UHFFFAOYSA-N	-1	3	369.404	1.974	20	10		FDCDHM
O=C(COc1cccc(-c2nnn[n-]2)c1)NCCc1ccc(O)c(O)c1	ZINC000826418122	608078997	/nfs/dbraw/zinc/07/89/97/608078997.db2.gz	RRHXZQIDOYCBSX-UHFFFAOYSA-N	-1	3	355.354	1.016	20	10		FDCDHM
O=C(COc1cccc(-c2nn[n-]n2)c1)NCCc1ccc(O)c(O)c1	ZINC000826418122	608078998	/nfs/dbraw/zinc/07/89/98/608078998.db2.gz	RRHXZQIDOYCBSX-UHFFFAOYSA-N	-1	3	355.354	1.016	20	10		FDCDHM
CN(C)c1ccc(CN(C)C(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1	ZINC000825966019	609187855	/nfs/dbraw/zinc/18/78/55/609187855.db2.gz	KLACXRPUAXZXAN-QGZVFWFLSA-N	-1	3	366.425	1.625	20	10		FDCDHM
CN(C)c1ccc(CN(C)C(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1	ZINC000825966019	609187856	/nfs/dbraw/zinc/18/78/56/609187856.db2.gz	KLACXRPUAXZXAN-QGZVFWFLSA-N	-1	3	366.425	1.625	20	10		FDCDHM
COc1ccc(N2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)cc1F	ZINC000826209948	609223760	/nfs/dbraw/zinc/22/37/60/609223760.db2.gz	XLLOTPWLZRBPCC-UHFFFAOYSA-N	-1	3	371.376	1.305	20	10		FDCDHM
COc1ccc(N2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)cc1F	ZINC000826209948	609223762	/nfs/dbraw/zinc/22/37/62/609223762.db2.gz	XLLOTPWLZRBPCC-UHFFFAOYSA-N	-1	3	371.376	1.305	20	10		FDCDHM
CC[C@@H](CO)NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C	ZINC000825120230	609371900	/nfs/dbraw/zinc/37/19/00/609371900.db2.gz	IUIBTJTYFIZWQU-AWEZNQCLSA-N	-1	3	354.414	1.775	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC[C@@H]2Cc3ccccc3O2)c1	ZINC000055225203	671230341	/nfs/dbraw/zinc/23/03/41/671230341.db2.gz	VZFVEUKQZGFTIW-ZDUSSCGKSA-N	-1	3	362.407	1.497	20	10		FDCDHM
CC1(C)CCC[C@]1(O)CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000294532868	676387718	/nfs/dbraw/zinc/38/77/18/676387718.db2.gz	VBADHYBAIZLFQI-INIZCTEOSA-N	-1	3	356.444	1.435	20	10		FDCDHM
NC(=O)c1noc([C@H]2CCCN2Cc2cc(Br)ccc2[O-])n1	ZINC000364235294	677001703	/nfs/dbraw/zinc/00/17/03/677001703.db2.gz	PRXQWNFUSJTECB-SNVBAGLBSA-N	-1	3	367.203	1.974	20	10		FDCDHM
COC(=O)[C@@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1(C)C	ZINC000364258777	677002939	/nfs/dbraw/zinc/00/29/39/677002939.db2.gz	JHTDUTNNTISWEW-LBPRGKRZSA-N	-1	3	370.427	1.035	20	10		FDCDHM
C[C@]1(C2CC2)COCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000890584579	770021223	/nfs/dbraw/zinc/02/12/23/770021223.db2.gz	FDUSJYSZRXEUCY-MRXNPFEDSA-N	-1	3	354.428	1.405	20	10		FDCDHM
O=C(c1cccc(O)c1[O-])N(CCCN1CCOCC1)Cc1ccncc1	ZINC000274996209	771023349	/nfs/dbraw/zinc/02/33/49/771023349.db2.gz	NLMGEJKRDMPOIS-UHFFFAOYSA-N	-1	3	371.437	1.858	20	10		FDCDHM
COc1cc(N2CCN(c3cc(=O)[n-]c(C)n3)CC2)cc(OC)c1OC	ZINC000893173388	793688490	/nfs/dbraw/zinc/68/84/90/793688490.db2.gz	NVMRWTOIHOXRHN-UHFFFAOYSA-N	-1	3	360.414	1.843	20	10		FDCDHM
CN(C)c1ccc([C@@H](CNC(=O)C[C@]2(C(=O)[O-])CCOC2)N(C)C)cc1	ZINC000899854268	846787447	/nfs/dbraw/zinc/78/74/47/846787447.db2.gz	HYOVQGQYPAWIKC-VQIMIIECSA-N	-1	3	363.458	1.353	20	10		FDCDHM
CS(=O)(=O)NC1CCN(Cc2ccc(Br)cc2[O-])CC1	ZINC000703123543	884471413	/nfs/dbraw/zinc/47/14/13/884471413.db2.gz	HPXCPSFPSWZTGR-UHFFFAOYSA-N	-1	3	363.277	1.668	20	10		FDCDHM
CS(=O)(=O)N[C@@H]1CCCN(Cc2ccc(Br)cc2[O-])C1	ZINC000703130776	884473364	/nfs/dbraw/zinc/47/33/64/884473364.db2.gz	AEZALSRZGVDUJW-GFCCVEGCSA-N	-1	3	363.277	1.668	20	10		FDCDHM
CN1CCc2c(cccc2S(=O)(=O)NCc2c([O-])cccc2F)C1	ZINC000921450957	888014815	/nfs/dbraw/zinc/01/48/15/888014815.db2.gz	HZEBWFMTIBIUPE-UHFFFAOYSA-N	-1	3	350.415	1.998	20	10		FDCDHM
COC(=O)CN(CCn1ccccc1=O)Cc1cc(Cl)ccc1[O-]	ZINC000732203264	919244724	/nfs/dbraw/zinc/24/47/24/919244724.db2.gz	SZXKKCJEDGVWDM-UHFFFAOYSA-N	-1	3	350.802	1.883	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC[C@H](O)c2ccsc2)c1	ZINC000740127444	925345296	/nfs/dbraw/zinc/34/52/96/925345296.db2.gz	PIAILYMSUQEIAD-ZDUSSCGKSA-N	-1	3	356.425	1.289	20	10		FDCDHM
CC[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C1CCOCC1	ZINC000769938590	929770559	/nfs/dbraw/zinc/77/05/59/929770559.db2.gz	XCJUKPOTDOCRHH-AWEZNQCLSA-N	-1	3	356.444	1.699	20	10		FDCDHM
O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(O)c1[O-]	ZINC000790931859	933783764	/nfs/dbraw/zinc/78/37/64/933783764.db2.gz	LTQKGBYWJMTYJY-UHFFFAOYSA-N	-1	3	366.351	1.210	20	10		FDCDHM
CC(=O)C(=O)COC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1	ZINC000808504241	940553702	/nfs/dbraw/zinc/55/37/02/940553702.db2.gz	XENVTCVYDKTPRL-UHFFFAOYSA-N	-1	3	368.342	1.270	20	10		FDCDHM
C[C@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC2(CCC2)O1	ZINC000844101463	947751596	/nfs/dbraw/zinc/75/15/96/947751596.db2.gz	RMSMIWMOLKUBPA-NSHDSACASA-N	-1	3	354.428	1.547	20	10		FDCDHM
CC[C@H]1COC(C)(C)CN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000846370783	951028563	/nfs/dbraw/zinc/02/85/63/951028563.db2.gz	QGBOPBKZLSROAT-LBPRGKRZSA-N	-1	3	356.444	1.793	20	10		FDCDHM
CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)c2cccc(O)c2O)[n-]1	ZINC000846644391	951402674	/nfs/dbraw/zinc/40/26/74/951402674.db2.gz	WXTDCOKRIDFHTJ-NSHDSACASA-N	-1	3	362.386	1.910	20	10		FDCDHM
CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)c2cccc(O)c2O)n[n-]1	ZINC000846644391	951402686	/nfs/dbraw/zinc/40/26/86/951402686.db2.gz	WXTDCOKRIDFHTJ-NSHDSACASA-N	-1	3	362.386	1.910	20	10		FDCDHM
O=C(NC[C@H]1CCC(=O)N(Cc2ccccc2)C1)c1cc(O)c([O-])c(O)c1	ZINC001148590146	952761165	/nfs/dbraw/zinc/76/11/65/952761165.db2.gz	CGBSMUYYAQGTJP-CQSZACIVSA-N	-1	3	370.405	1.972	20	10		FDCDHM
O=C(NC1CCN(C(=O)NC2CCCC2)CC1)c1cc(O)c([O-])c(O)c1	ZINC001148590325	952761254	/nfs/dbraw/zinc/76/12/54/952761254.db2.gz	HTVOOKUOULIJSA-UHFFFAOYSA-N	-1	3	363.414	1.650	20	10		FDCDHM
CN(C)c1ccc([C@H](CNC(=O)N2CCC[C@H](C(=O)[O-])C2)N(C)C)cc1	ZINC001341447761	957996830	/nfs/dbraw/zinc/99/68/30/957996830.db2.gz	BZQUOVKSOKEIQR-RDJZCZTQSA-N	-1	3	362.474	1.862	20	10		FDCDHM
Cc1cc(Br)cc(C[N@@H+]2C[C@H]3COC[C@@]3(C(=O)[O-])C2)c1[O-]	ZINC001574308020	960756236	/nfs/dbraw/zinc/75/62/36/960756236.db2.gz	QZDOTQKEYHHAEF-NHYWBVRUSA-N	-1	3	356.216	1.996	20	10		FDCDHM
Cc1cc(Br)cc(C[N@H+]2C[C@H]3COC[C@@]3(C(=O)[O-])C2)c1[O-]	ZINC001574308020	960756251	/nfs/dbraw/zinc/75/62/51/960756251.db2.gz	QZDOTQKEYHHAEF-NHYWBVRUSA-N	-1	3	356.216	1.996	20	10		FDCDHM
Cc1cc(Br)cc(C[N@@H+]2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c1[O-]	ZINC000854242807	968708600	/nfs/dbraw/zinc/70/86/00/968708600.db2.gz	QZDOTQKEYHHAEF-IAQYHMDHSA-N	-1	3	356.216	1.996	20	10		FDCDHM
Cc1cc(Br)cc(C[N@H+]2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c1[O-]	ZINC000854242807	968708610	/nfs/dbraw/zinc/70/86/10/968708610.db2.gz	QZDOTQKEYHHAEF-IAQYHMDHSA-N	-1	3	356.216	1.996	20	10		FDCDHM
Cn1ncc(C2CC2)c1CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000855790451	970686064	/nfs/dbraw/zinc/68/60/64/970686064.db2.gz	WQUUBWPNPYZFPO-UHFFFAOYSA-N	-1	3	364.427	1.305	20	10		FDCDHM
CS(=O)(=O)c1ccc(S(=O)(=O)NCc2c([O-])cccc2F)cc1	ZINC001195137625	970715174	/nfs/dbraw/zinc/71/51/74/970715174.db2.gz	QDKBCQABWAYXRV-UHFFFAOYSA-N	-1	3	359.400	1.413	20	10		FDCDHM
CCS(=O)(CC)=NS(=O)(=O)[N-]Cc1ccc2c(c1)CCCN2C	ZINC000866674252	975898897	/nfs/dbraw/zinc/89/88/97/975898897.db2.gz	WRASEYDLZCGXTH-UHFFFAOYSA-N	-1	3	359.517	1.911	20	10		FDCDHM
CC(C)[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C1(CO)CCC1	ZINC000848122372	976344350	/nfs/dbraw/zinc/34/43/50/976344350.db2.gz	RSUYQYBXSMUOKM-HNNXBMFYSA-N	-1	3	370.471	1.681	20	10		FDCDHM
C[C@H](NC1CN(S(=O)(=O)N(C)C)C1)c1cc(Cl)c(Cl)cc1[O-]	ZINC000858572404	982123333	/nfs/dbraw/zinc/12/33/33/982123333.db2.gz	RYBMQTMQUHSMQS-QMMMGPOBSA-N	-1	3	368.286	1.840	20	10		FDCDHM
COC(=O)[C@@H]1CC[C@H](C(=O)OC)N(Cc2cc(F)cc(C(C)=O)c2[O-])C1	ZINC000859598505	982936808	/nfs/dbraw/zinc/93/68/08/982936808.db2.gz	GJXVPSLROZQYHZ-IAQYHMDHSA-N	-1	3	367.373	1.661	20	10		FDCDHM
Cn1nc2c(cc1=O)CN(Cc1c([O-])cccc1Br)CC2	ZINC000862251057	984283754	/nfs/dbraw/zinc/28/37/54/984283754.db2.gz	ZMXXDPFSGIRSGS-UHFFFAOYSA-N	-1	3	350.216	1.807	20	10		FDCDHM
O=C(NC[C@@H]1CCCN(c2nccn3cnnc23)C1)c1cccc(O)c1[O-]	ZINC000365566283	990294354	/nfs/dbraw/zinc/29/43/54/990294354.db2.gz	LTZRVFRULIAKAD-LBPRGKRZSA-N	-1	3	368.397	1.182	20	10		FDCDHM
CN(C)c1ccc(CN(C)C(=O)CN2CCSC[C@@H](C(=O)[O-])C2)cc1	ZINC001598519482	992660914	/nfs/dbraw/zinc/66/09/14/992660914.db2.gz	SOQXCBFXRLOHNE-HNNXBMFYSA-N	-1	3	365.499	1.461	20	10		FDCDHM
CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@]1(C)C(=O)NCc1c([O-])cccc1F	ZINC000928712780	1001633641	/nfs/dbraw/zinc/63/36/41/1001633641.db2.gz	UVIRITFYQZRYFY-VOJFVSQTSA-N	-1	3	368.405	1.908	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)c1	ZINC000271234100	674326200	/nfs/dbraw/zinc/32/62/00/674326200.db2.gz	DTXCACJNZGJWOZ-LNSITVRQSA-N	-1	3	354.428	1.451	20	10		FDCDHM
CN(C)c1ccc(CNC(=O)CC[N-]S(=O)(=O)c2cccs2)cc1	ZINC000018214971	518795210	/nfs/dbraw/zinc/79/52/10/518795210.db2.gz	MBJYCDKBQMVKEH-UHFFFAOYSA-N	-1	3	367.496	1.799	20	10		FDCDHM
CC(=O)c1cc(F)cc(CN2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c1[O-]	ZINC000175563904	524978841	/nfs/dbraw/zinc/97/88/41/524978841.db2.gz	MHIWMQHFMKWAEK-OAHLLOKOSA-N	-1	3	370.446	1.039	20	10		FDCDHM
CNC(=O)NCC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1	ZINC000154019914	525395384	/nfs/dbraw/zinc/39/53/84/525395384.db2.gz	SRJSCQXRHNGURP-CYBMUJFWSA-N	-1	3	354.838	1.055	20	10		FDCDHM
CCN(C(=O)[C@@H](C)N(C)Cc1ccccc1[O-])[C@H]1CCS(=O)(=O)C1	ZINC000131588848	525876141	/nfs/dbraw/zinc/87/61/41/525876141.db2.gz	ZFKCLZFQFPNCOW-HIFRSBDPSA-N	-1	3	354.472	1.248	20	10		FDCDHM
C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)N(C)Cc1ccccc1[O-]	ZINC000109770338	526180861	/nfs/dbraw/zinc/18/08/61/526180861.db2.gz	SUEQADBVHMBBNI-HNNXBMFYSA-N	-1	3	355.442	1.351	20	10		FDCDHM
CCCCn1c2nc(CN(C)Cc3ccccc3[O-])n(C)c2c(=O)[nH]c1=O	ZINC000109772486	526184118	/nfs/dbraw/zinc/18/41/18/526184118.db2.gz	MSQVODSQBXRPPN-UHFFFAOYSA-N	-1	3	371.441	1.561	20	10		FDCDHM
COc1ccccc1N(CCC(N)=O)C(=O)CN(C)Cc1ccccc1[O-]	ZINC000264707800	537147674	/nfs/dbraw/zinc/14/76/74/537147674.db2.gz	LQTDZQFZXNGJPR-UHFFFAOYSA-N	-1	3	371.437	1.741	20	10		FDCDHM
Cc1nn2c(nnc2SCC(=O)NCc2ccc(N(C)C)cc2)[n-]c1=O	ZINC000265127627	537151080	/nfs/dbraw/zinc/15/10/80/537151080.db2.gz	FAJPSUUHBCBJSI-UHFFFAOYSA-N	-1	3	373.442	1.008	20	10		FDCDHM
CCCOc1ccc(CN(CCOC)[C@H]2CCS(=O)(=O)C2)c([O-])c1	ZINC000290314948	537321705	/nfs/dbraw/zinc/32/17/05/537321705.db2.gz	CKMCQTWKXNMJQO-HNNXBMFYSA-N	-1	3	357.472	1.817	20	10		FDCDHM
CN(C)c1ccc(CNC(=O)N2CCC[C@@H]2C[C@@]2(C)NC(=O)[N-]C2=O)cc1	ZINC000285617226	537737955	/nfs/dbraw/zinc/73/79/55/537737955.db2.gz	KDEBDWDUYDCAEB-DNVCBOLYSA-N	-1	3	373.457	1.415	20	10		FDCDHM
Cc1cc(C(=O)OCCOCCO)c(C)n1-c1ccc(-c2nn[n-]n2)cc1	ZINC000737243448	598901451	/nfs/dbraw/zinc/90/14/51/598901451.db2.gz	SRZGQCHPBGDFHE-UHFFFAOYSA-N	-1	3	371.397	1.440	20	10		FDCDHM
CNC(=O)[C@H](C)NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C	ZINC000736868713	598610126	/nfs/dbraw/zinc/61/01/26/598610126.db2.gz	UMTCKLUJSVNYSD-NSHDSACASA-N	-1	3	367.413	1.139	20	10		FDCDHM
COC(=O)[C@@H](NCc1ccc2c(c1)CCO2)c1cccc(-c2nnn[n-]2)c1	ZINC000821644609	606304924	/nfs/dbraw/zinc/30/49/24/606304924.db2.gz	DPWLKDHKQJXMND-KRWDZBQOSA-N	-1	3	365.393	1.806	20	10		FDCDHM
COC(=O)[C@@H](NCc1ccc2c(c1)CCO2)c1cccc(-c2nn[n-]n2)c1	ZINC000821644609	606304926	/nfs/dbraw/zinc/30/49/26/606304926.db2.gz	DPWLKDHKQJXMND-KRWDZBQOSA-N	-1	3	365.393	1.806	20	10		FDCDHM
CCOC(=O)[C@@H](C)[C@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000273457395	674539292	/nfs/dbraw/zinc/53/92/92/674539292.db2.gz	IBANSPWRQVZCER-UWVGGRQHSA-N	-1	3	358.416	1.081	20	10		FDCDHM
CNC(=O)c1cncc(C=CC(=O)N(C)c2ccccc2-c2nnn[n-]2)c1	ZINC000826073004	607790237	/nfs/dbraw/zinc/79/02/37/607790237.db2.gz	ACXVUOUUVABQKH-BQYQJAHWSA-N	-1	3	363.381	1.298	20	10		FDCDHM
CNC(=O)c1cncc(C=CC(=O)N(C)c2ccccc2-c2nn[n-]n2)c1	ZINC000826073004	607790238	/nfs/dbraw/zinc/79/02/38/607790238.db2.gz	ACXVUOUUVABQKH-BQYQJAHWSA-N	-1	3	363.381	1.298	20	10		FDCDHM
O=C(C1=CC(=O)CS1)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1	ZINC000826470266	608085156	/nfs/dbraw/zinc/08/51/56/608085156.db2.gz	KHGQHFFCSZHILR-CYBMUJFWSA-N	-1	3	357.395	1.848	20	10		FDCDHM
CC(C)C[C@]1(CO)CCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000276852380	674782363	/nfs/dbraw/zinc/78/23/63/674782363.db2.gz	IRNPOEYPEPMLHE-KRWDZBQOSA-N	-1	3	370.471	1.777	20	10		FDCDHM
CCCn1cc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])ccc1=O	ZINC000055289253	671232059	/nfs/dbraw/zinc/23/20/59/671232059.db2.gz	LFRJCSGNWBWMKU-UHFFFAOYSA-N	-1	3	365.411	1.588	20	10		FDCDHM
CC[C@@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C[C@H](C)[S@]1=O	ZINC000287264089	675913902	/nfs/dbraw/zinc/91/39/02/675913902.db2.gz	KEEANVKDTRVUJD-DRNJLYFOSA-N	-1	3	374.484	1.135	20	10		FDCDHM
COCCCN(Cc1cc(F)cc(C(C)=O)c1[O-])[C@H]1CCS(=O)(=O)C1	ZINC000267460398	673306341	/nfs/dbraw/zinc/30/63/41/673306341.db2.gz	RVMPTZQHXYZZCU-HNNXBMFYSA-N	-1	3	373.446	1.760	20	10		FDCDHM
CCCc1nc(C)c(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])o1	ZINC000293846982	676367896	/nfs/dbraw/zinc/36/78/96/676367896.db2.gz	DVOXPMCXVHQTMB-UHFFFAOYSA-N	-1	3	367.427	1.943	20	10		FDCDHM
CO[C@@H]1[C@H]2C[C@H]3CN(C(=O)c4cc(NS(C)(=O)=O)ccc4[O-])[C@H]1[C@H]3C2	ZINC000370378870	677570954	/nfs/dbraw/zinc/57/09/54/677570954.db2.gz	AIPAAKXHWJIBNP-SQNBZCGUSA-N	-1	3	366.439	1.259	20	10		FDCDHM
CS(=O)(=O)n1cc2c(n1)CN(Cc1c([O-])cccc1Br)C2	ZINC001140103736	771800490	/nfs/dbraw/zinc/80/04/90/771800490.db2.gz	SVWVEUBLUWSPCI-UHFFFAOYSA-N	-1	3	372.244	1.675	20	10		FDCDHM
Cc1cn2cc(NC(=O)c3cc(NS(C)(=O)=O)ccc3[O-])ccc2n1	ZINC000728606637	785007978	/nfs/dbraw/zinc/00/79/78/785007978.db2.gz	YSUINRHKEULBGX-UHFFFAOYSA-N	-1	3	360.395	1.972	20	10		FDCDHM
CN1CCN(C(=O)C2CCN(Cc3cc(F)cc(F)c3[O-])CC2)CC1	ZINC000894764951	818424967	/nfs/dbraw/zinc/42/49/67/818424967.db2.gz	XZUUFAOQEMGFBR-UHFFFAOYSA-N	-1	3	353.413	1.656	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2Cc3cccc(O)c3C2)c1	ZINC000760609267	855546426	/nfs/dbraw/zinc/54/64/26/855546426.db2.gz	KWONRQNVUZPUSC-GFCCVEGCSA-N	-1	3	362.407	1.367	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCO[C@H]2C(F)(F)F)c1	ZINC000912090165	859313374	/nfs/dbraw/zinc/31/33/74/859313374.db2.gz	XOOMOFUFHOOAAG-NSHDSACASA-N	-1	3	354.306	1.125	20	10		FDCDHM
COC(=O)C=Cc1ccc(N2CCc3c(=O)[n-]cnc3C2)c([N+](=O)[O-])c1	ZINC000784172806	864454919	/nfs/dbraw/zinc/45/49/19/864454919.db2.gz	YJNKBUQYDJMHBS-HYXAFXHYSA-N	-1	3	356.338	1.839	20	10		FDCDHM
Cc1cc(Br)c([O-])c(CN2CCC[C@@H](S(N)(=O)=O)C2)c1	ZINC000761511237	871389159	/nfs/dbraw/zinc/38/91/59/871389159.db2.gz	NKTRXUWTJSDXMF-LLVKDONJSA-N	-1	3	363.277	1.716	20	10		FDCDHM
Cn1cc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cc(Cl)c1=O	ZINC000761608026	873251238	/nfs/dbraw/zinc/25/12/38/873251238.db2.gz	JZYHFCNYULZMJO-UHFFFAOYSA-N	-1	3	371.802	1.368	20	10		FDCDHM
CS(=O)(=O)N1CCCN(Cc2ccc(Br)cc2[O-])CC1	ZINC000703514384	884637382	/nfs/dbraw/zinc/63/73/82/884637382.db2.gz	JBOXAECKQLRHCY-UHFFFAOYSA-N	-1	3	363.277	1.622	20	10		FDCDHM
O=C(NCc1c([O-])cccc1F)N[C@H]1CCCC[C@H]1N1CCOCC1	ZINC000921493137	888036160	/nfs/dbraw/zinc/03/61/60/888036160.db2.gz	IPPAHWQRVIAHCX-JKSUJKDBSA-N	-1	3	351.422	1.974	20	10		FDCDHM
COC(=O)c1csc(S(=O)(=O)[N-]Cc2cccc(OC)c2O)c1	ZINC000751309462	905934011	/nfs/dbraw/zinc/93/40/11/905934011.db2.gz	MFKKTUGZEROFDN-UHFFFAOYSA-N	-1	3	357.409	1.727	20	10		FDCDHM
CCOC(=O)C1(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCC1	ZINC000740932294	925496383	/nfs/dbraw/zinc/49/63/83/925496383.db2.gz	FRHJRPWQWKLQRM-UHFFFAOYSA-N	-1	3	370.427	1.227	20	10		FDCDHM
Cc1cccc(NCCNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])n1	ZINC000743464580	926368374	/nfs/dbraw/zinc/36/83/74/926368374.db2.gz	SKKYFRLQBIWHHT-UHFFFAOYSA-N	-1	3	364.427	1.309	20	10		FDCDHM
CC[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C1CCOCC1	ZINC000769938591	929770229	/nfs/dbraw/zinc/77/02/29/929770229.db2.gz	XCJUKPOTDOCRHH-CQSZACIVSA-N	-1	3	356.444	1.699	20	10		FDCDHM
CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)NC(=O)c2cccc(O)c2[O-])s1	ZINC000804912307	938604822	/nfs/dbraw/zinc/60/48/22/938604822.db2.gz	UXKUBVNHWFFRCF-DTWKUNHWSA-N	-1	3	364.427	1.905	20	10		FDCDHM
CC(=O)c1cccc(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1	ZINC000816696728	942308555	/nfs/dbraw/zinc/30/85/55/942308555.db2.gz	GJCOZLKLUXIWMD-UHFFFAOYSA-N	-1	3	362.407	1.896	20	10		FDCDHM
COc1ccc(N2CC[C@H](C[N-]S(=O)(=O)c3c[nH]nc3Cl)C2)cc1	ZINC000819888712	943773404	/nfs/dbraw/zinc/77/34/04/943773404.db2.gz	YUKSNYIRLOLXOL-LLVKDONJSA-N	-1	3	370.862	1.877	20	10		FDCDHM
O=C([C@H]1CCCO1)N1CCN(Cc2ccc(Br)cc2[O-])CC1	ZINC000824522531	946501558	/nfs/dbraw/zinc/50/15/58/946501558.db2.gz	QRCMPFHQENQJCM-OAHLLOKOSA-N	-1	3	369.259	1.978	20	10		FDCDHM
O=C(CN1CCN(Cc2ccc(Br)cc2[O-])CC1)NC1CC1	ZINC000824535712	946511640	/nfs/dbraw/zinc/51/16/40/946511640.db2.gz	VFZHZJPIQCMIRB-UHFFFAOYSA-N	-1	3	368.275	1.551	20	10		FDCDHM
Cc1cc([O-])c(CN(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1Cl	ZINC000824593003	946567221	/nfs/dbraw/zinc/56/72/21/946567221.db2.gz	JMNNPEADLUJCJV-GFCCVEGCSA-N	-1	3	360.863	1.089	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@]3(CCOC3)C2)c1	ZINC000857528989	971791943	/nfs/dbraw/zinc/79/19/43/971791943.db2.gz	ZTFAZGNICAUCBC-INIZCTEOSA-N	-1	3	354.428	1.406	20	10		FDCDHM
O=C(c1cccc(O)c1[O-])N1CCC[C@]2(CCN(c3cncnc3)C2=O)C1	ZINC001148214076	952648362	/nfs/dbraw/zinc/64/83/62/952648362.db2.gz	ODJUJOLHCYWBMV-IBGZPJMESA-N	-1	3	368.393	1.547	20	10		FDCDHM
O=C(c1cccc(O)c1[O-])N1Cc2cncn2C[C@H](COCC2CC2)C1	ZINC001148214157	952648634	/nfs/dbraw/zinc/64/86/34/952648634.db2.gz	OUGMCHZCRIPADO-CQSZACIVSA-N	-1	3	357.410	1.993	20	10		FDCDHM
O=C(NCc1cccnc1)[C@@H]1C[C@@]12CCN(C(=O)c1cccc(O)c1[O-])C2	ZINC001148214458	952648658	/nfs/dbraw/zinc/64/86/58/952648658.db2.gz	SOKWRZRWXXPOEH-MGPUTAFESA-N	-1	3	367.405	1.661	20	10		FDCDHM
O=C(c1cccc(O)c1[O-])N1CC[C@H]2O[C@H](C(=O)N3CCCC3)CC[C@H]21	ZINC001148214806	952649532	/nfs/dbraw/zinc/64/95/32/952649532.db2.gz	YFMVBXWHDWKIJP-BMFZPTHFSA-N	-1	3	360.410	1.482	20	10		FDCDHM
CNS(=O)(=O)CCc1ccc(NC(=O)c2cccc(O)c2[O-])cc1	ZINC001148219169	952652217	/nfs/dbraw/zinc/65/22/17/952652217.db2.gz	VOVAJTNEUMBXJD-UHFFFAOYSA-N	-1	3	350.396	1.442	20	10		FDCDHM
O=C(c1cc(O)c([O-])c(O)c1)N1CC[C@H]2[C@H]1CC(=O)N2c1ccsc1	ZINC001148584117	952757555	/nfs/dbraw/zinc/75/75/55/952757555.db2.gz	OQFQYLULHQJLII-NWDGAFQWSA-N	-1	3	360.391	1.885	20	10		FDCDHM
O=C(NCc1ccco1)C12CC(C1)CN2C(=O)c1cc(O)c([O-])c(O)c1	ZINC001148584271	952757806	/nfs/dbraw/zinc/75/78/06/952757806.db2.gz	QNBHQAWKXRAYJV-UHFFFAOYSA-N	-1	3	358.350	1.317	20	10		FDCDHM
COC(=O)c1nn(C)c2ccc(NC(=O)c3cc(O)c([O-])c(O)c3)cc12	ZINC001148586756	952759369	/nfs/dbraw/zinc/75/93/69/952759369.db2.gz	WYBAASORSOBAAO-UHFFFAOYSA-N	-1	3	357.322	1.729	20	10		FDCDHM
CCCn1c(=O)cc(NC(=O)c2cc(O)c([O-])c(O)c2)n(CCC)c1=O	ZINC001148589743	952760401	/nfs/dbraw/zinc/76/04/01/952760401.db2.gz	JOVVBJWHMVGNFX-UHFFFAOYSA-N	-1	3	363.370	1.199	20	10		FDCDHM
O=C(NC1CN(c2ncnc3ccccc32)C1)c1cc(O)c([O-])c(O)c1	ZINC001148590135	952761179	/nfs/dbraw/zinc/76/11/79/952761179.db2.gz	CCMQOIUTCIUSEP-UHFFFAOYSA-N	-1	3	352.350	1.365	20	10		FDCDHM
Cn1nccc1[C@@H]1CCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC001178686993	964364988	/nfs/dbraw/zinc/36/49/88/964364988.db2.gz	OUOMROILWWMBRP-AWEZNQCLSA-N	-1	3	364.427	1.475	20	10		FDCDHM
O=C(NCc1cc(Cl)c2cccnc2c1[O-])[C@H]1CSCC(=O)N1	ZINC001180557569	965398910	/nfs/dbraw/zinc/39/89/10/965398910.db2.gz	YPSYZGMDQKOLAS-LLVKDONJSA-N	-1	3	351.815	1.442	20	10		FDCDHM
CN1CCN(c2ncc(NC(=O)c3cc(O)c([O-])c(Cl)c3)cn2)CC1	ZINC001193589300	969752622	/nfs/dbraw/zinc/75/26/22/969752622.db2.gz	HXIFOYXBLIFCBA-UHFFFAOYSA-N	-1	3	363.805	1.545	20	10		FDCDHM
CN(C)CC(=O)N[C@H]1CC[C@H](NC(=O)c2cc(O)c([O-])c(Cl)c2)CC1	ZINC001193633663	969779284	/nfs/dbraw/zinc/77/92/84/969779284.db2.gz	DMGYWILIELDLQI-HAQNSBGRSA-N	-1	3	369.849	1.470	20	10		FDCDHM
COc1ccc(N2CC[C@H](C[N-]S(=O)(=O)c3c[nH]c(=O)s3)C2)cc1	ZINC000867428039	975235555	/nfs/dbraw/zinc/23/55/55/975235555.db2.gz	DYQQSFXKXNZZOO-LLVKDONJSA-N	-1	3	369.468	1.662	20	10		FDCDHM
C[C@H](NC(=O)c1cccc(O)c1[O-])c1ccccc1NS(C)(=O)=O	ZINC000776337078	975929622	/nfs/dbraw/zinc/92/96/22/975929622.db2.gz	YNGQZYQXICRMMG-JTQLQIEISA-N	-1	3	350.396	1.960	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC[C@H](c3nccs3)C2)c1	ZINC000881697567	980064205	/nfs/dbraw/zinc/06/42/05/980064205.db2.gz	LGIZYQXAWGVTBA-JTQLQIEISA-N	-1	3	367.452	1.850	20	10		FDCDHM
Cc1cc(C(=O)NCC(=O)C2CC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1	ZINC000826259610	980547310	/nfs/dbraw/zinc/54/73/10/980547310.db2.gz	XQGDPKJAUCNDHW-UHFFFAOYSA-N	-1	3	364.409	1.983	20	10		FDCDHM
CC[C@H](NCc1nnc2n1CCNC2=O)c1ccc(C(F)(F)F)cc1[O-]	ZINC000883304660	982062007	/nfs/dbraw/zinc/06/20/07/982062007.db2.gz	BYVQKBQFYNWCIL-NSHDSACASA-N	-1	3	369.347	1.987	20	10		FDCDHM
COC[C@@]1(C(=O)OC(C)(C)C)CCN(C(=O)c2cccc(O)c2[O-])C1	ZINC000870521118	986084255	/nfs/dbraw/zinc/08/42/55/986084255.db2.gz	FLDYVGOYEJJYRK-GOSISDBHSA-N	-1	3	351.399	1.918	20	10		FDCDHM
CC(C)C[C@@H]1CN(C)CCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000886596166	986405567	/nfs/dbraw/zinc/40/55/67/986405567.db2.gz	XZRFDCKBIJKBIQ-CQSZACIVSA-N	-1	3	369.487	1.566	20	10		FDCDHM
O=C(N[C@H]1CCCN(Cc2noc(C3CC3)n2)C1)c1cccc(O)c1[O-]	ZINC000369079167	989024060	/nfs/dbraw/zinc/02/40/60/989024060.db2.gz	RTUPQNZQCMRSCP-LBPRGKRZSA-N	-1	3	358.398	1.753	20	10		FDCDHM
CC(=O)c1cc(F)cc(CN2CCN([C@@H]3CCCCNC3=O)CC2)c1[O-]	ZINC000370355452	989684028	/nfs/dbraw/zinc/68/40/28/989684028.db2.gz	OIGLWDVKKFWBCY-QGZVFWFLSA-N	-1	3	363.433	1.520	20	10		FDCDHM
COCC(COC)N1CCN(Cc2ccc(Br)cc2[O-])CC1	ZINC000826120688	995182348	/nfs/dbraw/zinc/18/23/48/995182348.db2.gz	HQGSZCHPFYPXCI-UHFFFAOYSA-N	-1	3	373.291	1.934	20	10		FDCDHM
C[C@@H](NCC(=O)NCC(=O)N(C)Cc1ccccc1)c1c([O-])cccc1F	ZINC000926963012	996374857	/nfs/dbraw/zinc/37/48/57/996374857.db2.gz	BRVQFBLUATXNKZ-CQSZACIVSA-N	-1	3	373.428	1.957	20	10		FDCDHM
C[C@H](NCC(=O)NCC(=O)NCc1ccccc1)c1c([O-])cccc1F	ZINC000926964038	996375726	/nfs/dbraw/zinc/37/57/26/996375726.db2.gz	IMCULIKDWXPTQR-ZDUSSCGKSA-N	-1	3	359.401	1.615	20	10		FDCDHM
CCN(Cc1cc(Br)ccc1[O-])C(=O)NCCNC(C)=O	ZINC000073444018	522528661	/nfs/dbraw/zinc/52/86/61/522528661.db2.gz	ZDYMAOFHBMHELV-UHFFFAOYSA-N	-1	3	358.236	1.822	20	10		FDCDHM
CC(=O)c1cc(F)cc(CN2CCC(C(=O)N3CCOCC3)CC2)c1[O-]	ZINC000079395677	523745054	/nfs/dbraw/zinc/74/50/54/523745054.db2.gz	DTDQGWUKHWLZNH-UHFFFAOYSA-N	-1	3	364.417	1.805	20	10		FDCDHM
CC(=O)c1cc(F)cc(CN2CCN(CC(=O)NC(C)C)CC2)c1[O-]	ZINC000079395902	523745081	/nfs/dbraw/zinc/74/50/81/523745081.db2.gz	DWRCMGTXSQNXKQ-UHFFFAOYSA-N	-1	3	351.422	1.376	20	10		FDCDHM
COc1cc(Br)cc(CN2CCN3C(=O)NC[C@H]3C2)c1[O-]	ZINC000091864142	524803341	/nfs/dbraw/zinc/80/33/41/524803341.db2.gz	UOJGQFJAAJXFOX-NSHDSACASA-N	-1	3	356.220	1.373	20	10		FDCDHM
C[C@H]1CN(Cc2cc(Br)ccc2[O-])CCN1S(C)(=O)=O	ZINC000181935270	525989727	/nfs/dbraw/zinc/98/97/27/525989727.db2.gz	ZWMBATQEGYNUQJ-JTQLQIEISA-N	-1	3	363.277	1.620	20	10		FDCDHM
Cc1ccc(C(=O)NCc2cccnc2N2CCN(C)CC2)c([O-])c1O	ZINC000182240379	526109145	/nfs/dbraw/zinc/10/91/45/526109145.db2.gz	TWZOPCCEYFURQP-UHFFFAOYSA-N	-1	3	356.426	1.483	20	10		FDCDHM
COCCn1ccc(N2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)n1	ZINC000286123177	537421472	/nfs/dbraw/zinc/42/14/72/537421472.db2.gz	WYNOITVEFDPRSG-UHFFFAOYSA-N	-1	3	364.789	1.857	20	10		FDCDHM
Cc1ccc(C(=O)N[C@H](C(=O)OCc2ccccc2)[C@H](C)O)c([O-])c1O	ZINC000294156599	537667296	/nfs/dbraw/zinc/66/72/96/537667296.db2.gz	UZMLKSVEGWDKOV-WFASDCNBSA-N	-1	3	359.378	1.629	20	10		FDCDHM
COc1ccc(O)c(CNC(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)c1	ZINC000737105908	598921978	/nfs/dbraw/zinc/92/19/78/598921978.db2.gz	MOALYSGQEXQCRH-NSHDSACASA-N	-1	3	369.381	1.665	20	10		FDCDHM
COc1ccc(O)c(CNC(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)c1	ZINC000737105908	598921980	/nfs/dbraw/zinc/92/19/80/598921980.db2.gz	MOALYSGQEXQCRH-NSHDSACASA-N	-1	3	369.381	1.665	20	10		FDCDHM
CC(=O)NCC[N@H+](Cc1cc(Br)cc(C)c1[O-])[C@H](C)C(=O)[O-]	ZINC000819770227	597703814	/nfs/dbraw/zinc/70/38/14/597703814.db2.gz	KMGIKQGIVXMJJN-SNVBAGLBSA-N	-1	3	373.247	1.874	20	10		FDCDHM
CC(=O)NCC[N@@H+](Cc1cc(Br)cc(C)c1[O-])[C@H](C)C(=O)[O-]	ZINC000819770227	597703816	/nfs/dbraw/zinc/70/38/16/597703816.db2.gz	KMGIKQGIVXMJJN-SNVBAGLBSA-N	-1	3	373.247	1.874	20	10		FDCDHM
CNC(=O)c1cncc(C=CC(=O)N(C)c2cccc(-c3nnn[n-]3)c2)c1	ZINC000736881809	598655062	/nfs/dbraw/zinc/65/50/62/598655062.db2.gz	KUHRLZXJUVOYTM-SREVYHEPSA-N	-1	3	363.381	1.298	20	10		FDCDHM
CNC(=O)c1cncc(C=CC(=O)N(C)c2cccc(-c3nn[n-]n3)c2)c1	ZINC000736881809	598655063	/nfs/dbraw/zinc/65/50/63/598655063.db2.gz	KUHRLZXJUVOYTM-SREVYHEPSA-N	-1	3	363.381	1.298	20	10		FDCDHM
O=C(NCc1c(O)ccc2c1CCCC2)c1ccc(-c2nnn[n-]2)cn1	ZINC000823229113	599489210	/nfs/dbraw/zinc/48/92/10/599489210.db2.gz	DKJFDTIXHFQTSX-UHFFFAOYSA-N	-1	3	350.382	1.776	20	10		FDCDHM
O=C(NCc1c(O)ccc2c1CCCC2)c1ccc(-c2nn[n-]n2)cn1	ZINC000823229113	599489213	/nfs/dbraw/zinc/48/92/13/599489213.db2.gz	DKJFDTIXHFQTSX-UHFFFAOYSA-N	-1	3	350.382	1.776	20	10		FDCDHM
C[C@]1(CCCO)CCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000273284273	674524343	/nfs/dbraw/zinc/52/43/43/674524343.db2.gz	AXNIZCUIJVRFQS-MRXNPFEDSA-N	-1	3	356.444	1.531	20	10		FDCDHM
CCN(CC)c1ccc(CNC(=O)c2cc(-c3nnn[n-]3)cn2C)cc1	ZINC000821197127	606230651	/nfs/dbraw/zinc/23/06/51/606230651.db2.gz	GLHPFSLNFLYSGY-UHFFFAOYSA-N	-1	3	353.430	1.981	20	10		FDCDHM
CCN(CC)c1ccc(CNC(=O)c2cc(-c3nn[n-]n3)cn2C)cc1	ZINC000821197127	606230653	/nfs/dbraw/zinc/23/06/53/606230653.db2.gz	GLHPFSLNFLYSGY-UHFFFAOYSA-N	-1	3	353.430	1.981	20	10		FDCDHM
Cc1cc(C(=O)N2CC[C@](C)(O)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1	ZINC000822168500	606312593	/nfs/dbraw/zinc/31/25/93/606312593.db2.gz	OPUVHWSJPSQGKS-IBGZPJMESA-N	-1	3	366.425	1.871	20	10		FDCDHM
COC(=O)[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)Cc1ccccc1O	ZINC000821649690	606322598	/nfs/dbraw/zinc/32/25/98/606322598.db2.gz	BEAYPUXRLSMCGZ-INIZCTEOSA-N	-1	3	353.382	1.918	20	10		FDCDHM
CCOC(=O)[C@@H](C)[C@@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000273457398	674539264	/nfs/dbraw/zinc/53/92/64/674539264.db2.gz	IBANSPWRQVZCER-VHSXEESVSA-N	-1	3	358.416	1.081	20	10		FDCDHM
COc1ccc(N2CCN(c3ncccc3-c3nnn[n-]3)CC2)cc1F	ZINC000821831622	606633993	/nfs/dbraw/zinc/63/39/93/606633993.db2.gz	GOXXHKDYRTWIRK-UHFFFAOYSA-N	-1	3	355.377	1.736	20	10		FDCDHM
COc1ccc(N2CCN(c3ncccc3-c3nn[n-]n3)CC2)cc1F	ZINC000821831622	606633994	/nfs/dbraw/zinc/63/39/94/606633994.db2.gz	GOXXHKDYRTWIRK-UHFFFAOYSA-N	-1	3	355.377	1.736	20	10		FDCDHM
Cc1cc(C(=O)N2C[C@@H](C)[C@H](O)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1	ZINC000826258022	608596017	/nfs/dbraw/zinc/59/60/17/608596017.db2.gz	XAMRZUIGFPLHRH-PIGZYNQJSA-N	-1	3	366.425	1.727	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCCC[C@H]2c2nc[nH]n2)c1	ZINC000362025895	676906415	/nfs/dbraw/zinc/90/64/15/676906415.db2.gz	UXEDFRNAEDGYAR-LBPRGKRZSA-N	-1	3	365.415	1.249	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H](OCC3CC3)C2)c1	ZINC000364441723	677018423	/nfs/dbraw/zinc/01/84/23/677018423.db2.gz	FSZVUKCQSUAKLE-CQSZACIVSA-N	-1	3	368.455	1.795	20	10		FDCDHM
CNC(=O)NC[C@H]1CN(Cc2ccc(Br)cc2[O-])CCO1	ZINC000529641913	694790473	/nfs/dbraw/zinc/79/04/73/694790473.db2.gz	GJVXPMSFXZVXCQ-LBPRGKRZSA-N	-1	3	358.236	1.285	20	10		FDCDHM
O=C1[N-]C(=O)C(=CNCc2ccc(N3CCOCC3)cc2)c2ccccc21	ZINC000122278431	790522134	/nfs/dbraw/zinc/52/21/34/790522134.db2.gz	FRRGBXQNTHKIGA-RGEXLXHISA-N	-1	3	363.417	1.924	20	10		FDCDHM
COc1ccc(CN2CC[C@@H](NC(=O)c3cccc(O)c3[O-])C2=O)cc1	ZINC000279290053	808711975	/nfs/dbraw/zinc/71/19/75/808711975.db2.gz	MFHVSQXNGZYFAC-OAHLLOKOSA-N	-1	3	356.378	1.637	20	10		FDCDHM
CN1CCN(C(=O)c2ccc(CNC(=O)c3cccc(O)c3[O-])cc2)CC1	ZINC000280147424	811726361	/nfs/dbraw/zinc/72/63/61/811726361.db2.gz	MTCMCYDLXAXCJN-UHFFFAOYSA-N	-1	3	369.421	1.415	20	10		FDCDHM
CS(C)(=O)=NS(=O)(=O)CCNCc1cc(Cl)c(F)cc1[O-]	ZINC000896312838	824308327	/nfs/dbraw/zinc/30/83/27/824308327.db2.gz	LZCZEPYWGSFVII-UHFFFAOYSA-N	-1	3	358.844	1.332	20	10		FDCDHM
CS(=O)(=O)C[C@H]1CN(Cc2cc(Br)ccc2[O-])CCO1	ZINC000897596301	839874422	/nfs/dbraw/zinc/87/44/22/839874422.db2.gz	TXPNWMKDBUEBKT-GFCCVEGCSA-N	-1	3	364.261	1.400	20	10		FDCDHM
COCCS(=O)(=O)c1ccc(CNC(=O)c2cccc(O)c2[O-])cc1	ZINC000760561146	842389839	/nfs/dbraw/zinc/38/98/39/842389839.db2.gz	MKNLKUUSXMTEDS-UHFFFAOYSA-N	-1	3	365.407	1.448	20	10		FDCDHM
CC(C)S(=O)(=O)N1CCC(NC(=O)NCc2c([O-])cccc2F)CC1	ZINC000922217314	873909186	/nfs/dbraw/zinc/90/91/86/873909186.db2.gz	PFQWSJWOFUYVPE-UHFFFAOYSA-N	-1	3	373.450	1.533	20	10		FDCDHM
O=C(COc1ccccc1)N1CC[C@@H](NC(=O)c2cccc(O)c2[O-])C1	ZINC000282362006	878485542	/nfs/dbraw/zinc/48/55/42/878485542.db2.gz	BIYILXOKQAHUIP-CYBMUJFWSA-N	-1	3	356.378	1.508	20	10		FDCDHM
CC(C)(C)OC(=O)N1CC(CS(=O)(=O)NCc2c([O-])cccc2F)C1	ZINC000921450764	888014387	/nfs/dbraw/zinc/01/43/87/888014387.db2.gz	DWXQBIDVJWCNKF-UHFFFAOYSA-N	-1	3	374.434	1.818	20	10		FDCDHM
O=C(NCc1c([O-])cccc1F)N[C@@H]1CCCC[C@@H]1N1CCOCC1	ZINC000921493134	888036013	/nfs/dbraw/zinc/03/60/13/888036013.db2.gz	IPPAHWQRVIAHCX-CVEARBPZSA-N	-1	3	351.422	1.974	20	10		FDCDHM
O=C(NCc1c([O-])cccc1F)N[C@H]1CCCN(Cc2ccccn2)C1=O	ZINC000921917841	892877700	/nfs/dbraw/zinc/87/77/00/892877700.db2.gz	OJCGUCZPCCWKLK-INIZCTEOSA-N	-1	3	372.400	1.917	20	10		FDCDHM
COC(=O)CN(Cc1ccn(C)c(=O)c1)Cc1cc(Cl)ccc1[O-]	ZINC000731845251	918669644	/nfs/dbraw/zinc/66/96/44/918669644.db2.gz	SSIJCUYSGJQJDY-UHFFFAOYSA-N	-1	3	350.802	1.920	20	10		FDCDHM
O=C(NC1CCN(C(=O)c2cc(O)c([O-])c(O)c2)CC1)c1cccc(F)c1	ZINC000169874820	927641202	/nfs/dbraw/zinc/64/12/02/927641202.db2.gz	GJPYKBFNJJSHSW-UHFFFAOYSA-N	-1	3	374.368	1.977	20	10		FDCDHM
CCC(CC)(NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C(=O)OC	ZINC000769920345	929736786	/nfs/dbraw/zinc/73/67/86/929736786.db2.gz	ORPLYHVRQDQBMJ-UHFFFAOYSA-N	-1	3	358.416	1.225	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H](CO)C2CCCCC2)c1	ZINC000771229254	930528362	/nfs/dbraw/zinc/52/83/62/930528362.db2.gz	ICNAQNZXZAWIHZ-CQSZACIVSA-N	-1	3	356.444	1.435	20	10		FDCDHM
CNS(=O)(=O)Cc1ccc(CNC(=O)c2cccc(O)c2[O-])cc1	ZINC000790495890	933576065	/nfs/dbraw/zinc/57/60/65/933576065.db2.gz	DHWNLAWVXHOHTB-UHFFFAOYSA-N	-1	3	350.396	1.077	20	10		FDCDHM
COc1ccc(O)c(C[N-]S(=O)(=O)c2cnc(NC(C)=O)s2)c1	ZINC000805011714	938647813	/nfs/dbraw/zinc/64/78/13/938647813.db2.gz	ASGBNQYZRNLOHH-UHFFFAOYSA-N	-1	3	357.413	1.294	20	10		FDCDHM
CS(=O)(=O)NCC1CCN(Cc2c([O-])ccc(Cl)c2F)CC1	ZINC000809694502	940879330	/nfs/dbraw/zinc/87/93/30/940879330.db2.gz	QYNYVBNUMYCJTQ-UHFFFAOYSA-N	-1	3	350.843	1.946	20	10		FDCDHM
CNS(=O)(=O)C[C@H]1CCCN1Cc1ccc(Br)cc1[O-]	ZINC000824906521	946851066	/nfs/dbraw/zinc/85/10/66/946851066.db2.gz	PPRHVTZMDDYQNT-GFCCVEGCSA-N	-1	3	363.277	1.668	20	10		FDCDHM
C[S@](=O)[C@@H]1CCC[C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1	ZINC000857310288	971712374	/nfs/dbraw/zinc/71/23/74/971712374.db2.gz	WMGDYVVHNUTNRC-FNIMQGLVSA-N	-1	3	374.484	1.183	20	10		FDCDHM
COc1ccc(N2CC[C@H](NC(=O)c3ccc(-c4nnn[n-]4)cn3)C2)cc1	ZINC001146950969	952260970	/nfs/dbraw/zinc/26/09/70/952260970.db2.gz	OLSCBSVWRDRKRC-ZDUSSCGKSA-N	-1	3	365.397	1.279	20	10		FDCDHM
COc1ccc(N2CC[C@H](NC(=O)c3ccc(-c4nn[n-]n4)cn3)C2)cc1	ZINC001146950969	952260975	/nfs/dbraw/zinc/26/09/75/952260975.db2.gz	OLSCBSVWRDRKRC-ZDUSSCGKSA-N	-1	3	365.397	1.279	20	10		FDCDHM
O=C(c1cc(O)c([O-])c(O)c1)N1CCN(Cc2c[nH]c3ncccc23)CC1	ZINC001148584263	952757527	/nfs/dbraw/zinc/75/75/27/952757527.db2.gz	QEIWQBDWTDQZAJ-UHFFFAOYSA-N	-1	3	368.393	1.638	20	10		FDCDHM
O=C(c1cc(O)c([O-])c(O)c1)N1CCNC(=O)[C@H]1c1ccc(Cl)cc1	ZINC001148588344	952760578	/nfs/dbraw/zinc/76/05/78/952760578.db2.gz	SXJSOXJUKTYRSH-CQSZACIVSA-N	-1	3	362.769	1.770	20	10		FDCDHM
CO[C@@H]1CS(=O)(=O)C[C@H]1NCc1cc(Br)cc(F)c1[O-]	ZINC000715813118	958480550	/nfs/dbraw/zinc/48/05/50/958480550.db2.gz	MCQUYWQITRLGCK-GHMZBOCLSA-N	-1	3	368.224	1.195	20	10		FDCDHM
Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)CCO)cc2)c([O-])c1O	ZINC000773903166	960625410	/nfs/dbraw/zinc/62/54/10/960625410.db2.gz	UWSLQSGEVXNDFG-UHFFFAOYSA-N	-1	3	351.380	1.425	20	10		FDCDHM
O=C(CCc1ccc(O)c(O)c1)Nc1ncc(Br)[n-]c1=O	ZINC001182155802	961504206	/nfs/dbraw/zinc/50/42/06/961504206.db2.gz	QTHRVDMDBTYVDX-UHFFFAOYSA-N	-1	3	354.160	1.515	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCC2(C3(O)CCC3)CCC2)c1	ZINC001177768421	963962881	/nfs/dbraw/zinc/96/28/81/963962881.db2.gz	JFZWQIVYVXOFPT-UHFFFAOYSA-N	-1	3	368.455	1.579	20	10		FDCDHM
CN1CCN(c2ccccc2C(=O)NCC(=O)c2ccc([O-])c(O)c2)CC1	ZINC001186905396	964861530	/nfs/dbraw/zinc/86/15/30/964861530.db2.gz	LGHWVJZBLCNQTB-UHFFFAOYSA-N	-1	3	369.421	1.462	20	10		FDCDHM
O=C(Cn1cnc(NC(=O)c2cccc(O)c2[O-])n1)NCc1ccccc1	ZINC000776643157	967823233	/nfs/dbraw/zinc/82/32/33/967823233.db2.gz	CZCHGZNXQXOGBB-UHFFFAOYSA-N	-1	3	367.365	1.258	20	10		FDCDHM
CC[C@@H](COCC1CC1)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000855279642	970268279	/nfs/dbraw/zinc/26/82/79/970268279.db2.gz	BJSZWFLVYFCPNH-LBPRGKRZSA-N	-1	3	356.444	1.699	20	10		FDCDHM
CC(=O)NCc1ccc(S(=O)(=O)NCc2c([O-])cccc2F)cc1	ZINC001195135727	970714162	/nfs/dbraw/zinc/71/41/62/970714162.db2.gz	COGQREAGLQODJP-UHFFFAOYSA-N	-1	3	352.387	1.646	20	10		FDCDHM
CC(C)S(=O)(=O)CCNCc1c2cc(F)ccc2n(C)c1C(=O)[O-]	ZINC001591818543	976058580	/nfs/dbraw/zinc/05/85/80/976058580.db2.gz	KRWIEQNKZAKXEH-UHFFFAOYSA-N	-1	3	356.419	1.928	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC(CC3CCOCC3)C2)c1	ZINC000881926191	980296357	/nfs/dbraw/zinc/29/63/57/980296357.db2.gz	PREXFLJKIXNOGT-UHFFFAOYSA-N	-1	3	368.455	1.652	20	10		FDCDHM
COC(=O)[C@H](NCc1c([O-])cccc1Br)c1ccnn1C	ZINC000862400364	984375543	/nfs/dbraw/zinc/37/55/43/984375543.db2.gz	WFHLDPIWLGXGBA-CYBMUJFWSA-N	-1	3	354.204	1.892	20	10		FDCDHM
O=C(NCc1ccc(CN2CCS(=O)CC2)cc1)c1cccc(O)c1[O-]	ZINC000868940184	984707545	/nfs/dbraw/zinc/70/75/45/984707545.db2.gz	KKAXMZOMUNJVDV-UHFFFAOYSA-N	-1	3	374.462	1.592	20	10		FDCDHM
COC(=O)c1ccc(S(=O)(=O)[N-]Cc2cc(OC)ccc2O)c(F)c1	ZINC000795114625	985953321	/nfs/dbraw/zinc/95/33/21/985953321.db2.gz	FOBVMUBGRTUSBD-UHFFFAOYSA-N	-1	3	369.370	1.805	20	10		FDCDHM
COC[C@]1(C(=O)OC(C)(C)C)CCN(C(=O)c2cccc(O)c2[O-])C1	ZINC000870521119	986083894	/nfs/dbraw/zinc/08/38/94/986083894.db2.gz	FLDYVGOYEJJYRK-SFHVURJKSA-N	-1	3	351.399	1.918	20	10		FDCDHM
CN(Cc1ccccc1O)C(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-]	ZINC000375088483	992991497	/nfs/dbraw/zinc/99/14/97/992991497.db2.gz	FAKWMHHYORWQHN-UHFFFAOYSA-N	-1	3	369.352	1.852	20	10		FDCDHM
CN(Cc1ccccc1O)C(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O	ZINC000375088483	992991501	/nfs/dbraw/zinc/99/15/01/992991501.db2.gz	FAKWMHHYORWQHN-UHFFFAOYSA-N	-1	3	369.352	1.852	20	10		FDCDHM
Cn1ccnc1[C@@]([O-])(C[NH2+]Cc1ccc(F)c(F)c1[O-])C(F)(F)F	ZINC000877147808	993070509	/nfs/dbraw/zinc/07/05/09/993070509.db2.gz	AKAGJUSAZGQJNL-ZDUSSCGKSA-N	-1	3	351.275	1.944	20	10		FDCDHM
C[C@@H]([NH2+][C@H]1CCN(CCN2CCOCC2)C1)c1cc(C(=O)[O-])ccc1[O-]	ZINC001593218168	994281628	/nfs/dbraw/zinc/28/16/28/994281628.db2.gz	GKWWTWNDEAEOOD-ZBFHGGJFSA-N	-1	3	363.458	1.148	20	10		FDCDHM
COc1cc(Br)cc(C[NH2+][C@]2(CC(=O)[O-])CCOC2)c1[O-]	ZINC001599346575	998017222	/nfs/dbraw/zinc/01/72/22/998017222.db2.gz	JLXQGEYRRNXJBI-AWEZNQCLSA-N	-1	3	360.204	1.887	20	10		FDCDHM
COc1cc(Br)cc(C[NH2+]C[C@H]2CCO[C@H]2C(=O)[O-])c1[O-]	ZINC001599346643	998018582	/nfs/dbraw/zinc/01/85/82/998018582.db2.gz	OAHVPXGYOBISGJ-AMIZOPFISA-N	-1	3	360.204	1.743	20	10		FDCDHM
CC(C)(C)OC(=O)N1CCN(CC(=O)NCc2c([O-])cccc2F)CC1	ZINC000928705273	1001631729	/nfs/dbraw/zinc/63/17/29/1001631729.db2.gz	FOYOREFXOSLHTC-UHFFFAOYSA-N	-1	3	367.421	1.700	20	10		FDCDHM
CC1CCC2(CC1)NC(=O)N(CC(=O)NCc1c([O-])cccc1F)C2=O	ZINC000928708182	1001632298	/nfs/dbraw/zinc/63/22/98/1001632298.db2.gz	DMEGURGVHBAURL-UHFFFAOYSA-N	-1	3	363.389	1.648	20	10		FDCDHM
O=C(c1cccc(O)c1[O-])N1CCN(C(=O)c2c(F)cccc2F)CC1	ZINC000193013664	1010595623	/nfs/dbraw/zinc/59/56/23/1010595623.db2.gz	PIKLZGLSDDCRFZ-UHFFFAOYSA-N	-1	3	362.332	1.974	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCC(=O)OC2CCCCC2)c1	ZINC000267919208	674034284	/nfs/dbraw/zinc/03/42/84/674034284.db2.gz	YTZPYJLMYWUQDA-UHFFFAOYSA-N	-1	3	370.427	1.369	20	10		FDCDHM
O=C(N1CCNCC1)N1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1	ZINC000530244599	539920667	/nfs/dbraw/zinc/92/06/67/539920667.db2.gz	ZYGPWEAVPQIGFO-UHFFFAOYSA-N	-1	3	356.829	1.328	20	10		FDCDHM
O=S(=O)(CCNCc1c([O-])cccc1Cl)NC[C@@H]1CCCCO1	ZINC000113341623	524672367	/nfs/dbraw/zinc/67/23/67/524672367.db2.gz	GCBGZAIVURAFFX-LBPRGKRZSA-N	-1	3	362.879	1.624	20	10		FDCDHM
CCc1nc(CCNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cs1	ZINC000263804763	537104772	/nfs/dbraw/zinc/10/47/72/537104772.db2.gz	PBWPVMFCZFKSHK-UHFFFAOYSA-N	-1	3	369.468	1.755	20	10		FDCDHM
CC(C)[C@@]1(CO)CCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1	ZINC000294567254	537706141	/nfs/dbraw/zinc/70/61/41/537706141.db2.gz	DXUZBCNWWNPULN-KRWDZBQOSA-N	-1	3	370.471	1.634	20	10		FDCDHM
COc1ccc(O)c(CNC(=O)COc2cccc(-c3nnn[n-]3)c2)c1	ZINC000737106406	598921726	/nfs/dbraw/zinc/92/17/26/598921726.db2.gz	SDLWUQOWMPYISJ-UHFFFAOYSA-N	-1	3	355.354	1.276	20	10		FDCDHM
COc1ccc(O)c(CNC(=O)COc2cccc(-c3nn[n-]n3)c2)c1	ZINC000737106406	598921728	/nfs/dbraw/zinc/92/17/28/598921728.db2.gz	SDLWUQOWMPYISJ-UHFFFAOYSA-N	-1	3	355.354	1.276	20	10		FDCDHM
COc1ccc(N2CCN(Cc3ccnc(-c4nnn[n-]4)c3)CC2)cc1F	ZINC000826209417	607513610	/nfs/dbraw/zinc/51/36/10/607513610.db2.gz	AQUDALRETSNYER-UHFFFAOYSA-N	-1	3	369.404	1.732	20	10		FDCDHM
COc1ccc(N2CCN(Cc3ccnc(-c4nn[n-]n4)c3)CC2)cc1F	ZINC000826209417	607513612	/nfs/dbraw/zinc/51/36/12/607513612.db2.gz	AQUDALRETSNYER-UHFFFAOYSA-N	-1	3	369.404	1.732	20	10		FDCDHM
COc1ccc(O)c([C@@H](C)NCC(=O)NC2(C(=O)[O-])CCCCC2)c1	ZINC000833734019	605128061	/nfs/dbraw/zinc/12/80/61/605128061.db2.gz	ZNYQXTZEYIXYBN-GFCCVEGCSA-N	-1	3	350.415	1.955	20	10		FDCDHM
C[C@]1(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCO[C@@H]1C1CC1	ZINC000273500788	674543399	/nfs/dbraw/zinc/54/33/99/674543399.db2.gz	NWGAFHRRTNKJBK-ZBFHGGJFSA-N	-1	3	354.428	1.451	20	10		FDCDHM
O=C(NCCc1ccc(O)c(O)c1)Nc1ccc(F)cc1-c1nnn[n-]1	ZINC000823223766	606772984	/nfs/dbraw/zinc/77/29/84/606772984.db2.gz	HWLSNJPNEIGGRO-UHFFFAOYSA-N	-1	3	358.333	1.781	20	10		FDCDHM
O=C(NCCc1ccc(O)c(O)c1)Nc1ccc(F)cc1-c1nn[n-]n1	ZINC000823223766	606772985	/nfs/dbraw/zinc/77/29/85/606772985.db2.gz	HWLSNJPNEIGGRO-UHFFFAOYSA-N	-1	3	358.333	1.781	20	10		FDCDHM
COc1ccc(N(C)C[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)cc1F	ZINC000821828328	606881916	/nfs/dbraw/zinc/88/19/16/606881916.db2.gz	SKVUPWZJYUHFKO-CQSZACIVSA-N	-1	3	373.388	1.891	20	10		FDCDHM
COc1cc(-c2nnn[n-]2)ccc1COC(=O)c1ccc(C)c(O)c1O	ZINC000826172798	608351733	/nfs/dbraw/zinc/35/17/33/608351733.db2.gz	XRWIAGONAMNILO-UHFFFAOYSA-N	-1	3	356.338	1.952	20	10		FDCDHM
COc1cc(-c2nn[n-]n2)ccc1COC(=O)c1ccc(C)c(O)c1O	ZINC000826172798	608351735	/nfs/dbraw/zinc/35/17/35/608351735.db2.gz	XRWIAGONAMNILO-UHFFFAOYSA-N	-1	3	356.338	1.952	20	10		FDCDHM
Cc1nnc([C@@H](C)NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])s1	ZINC000274227741	674588162	/nfs/dbraw/zinc/58/81/62/674588162.db2.gz	POKSPAKLRCZZCS-SSDOTTSWSA-N	-1	3	356.429	1.415	20	10		FDCDHM
COC(=O)[C@H]1C[C@@H](C)CCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000274764151	674595981	/nfs/dbraw/zinc/59/59/81/674595981.db2.gz	HJHVFAPABCAMOA-GXFFZTMASA-N	-1	3	370.427	1.177	20	10		FDCDHM
COC(=O)CN(CCn1cc([N+](=O)[O-])cn1)Cc1cc(Cl)ccc1[O-]	ZINC000174854751	672097503	/nfs/dbraw/zinc/09/75/03/672097503.db2.gz	WUGKYTQCRFAGJG-UHFFFAOYSA-N	-1	3	368.777	1.826	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC[C@H](O)C2CCCCC2)c1	ZINC000263922633	672890741	/nfs/dbraw/zinc/89/07/41/672890741.db2.gz	GVAWAZLRYDQCCJ-HNNXBMFYSA-N	-1	3	356.444	1.435	20	10		FDCDHM
CCCNC(=O)NC(=O)CN(CC(=O)OC)Cc1cc(Cl)ccc1[O-]	ZINC000264613181	672918664	/nfs/dbraw/zinc/91/86/64/672918664.db2.gz	OIIOABDHRFTIFH-UHFFFAOYSA-N	-1	3	371.821	1.256	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2Cc3ccccc3[C@@H]2O)c1	ZINC000370239024	677556046	/nfs/dbraw/zinc/55/60/46/677556046.db2.gz	RCGXXIUPXMTHMD-ZBFHGGJFSA-N	-1	3	362.407	1.152	20	10		FDCDHM
C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)c2cccc(O)c2[O-])CC1	ZINC000274890384	770955862	/nfs/dbraw/zinc/95/58/62/770955862.db2.gz	LPNMVZGTMJWEBM-AWEZNQCLSA-N	-1	3	361.442	1.257	20	10		FDCDHM
CN(C)c1ccc(CNC(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)cc1F	ZINC000892485128	785170269	/nfs/dbraw/zinc/17/02/69/785170269.db2.gz	DNWMSSSNAQVUJF-CYBMUJFWSA-N	-1	3	374.420	1.465	20	10		FDCDHM
O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cccc2n[n-]nc21	ZINC000163553682	788081312	/nfs/dbraw/zinc/08/13/12/788081312.db2.gz	ZMOHOUFRUBMCOL-UHFFFAOYSA-N	-1	3	355.373	1.864	20	10		FDCDHM
[O-]c1cc(I)ccc1CN1CC[C@H](CO)[C@@H](O)C1	ZINC001232975301	867205809	/nfs/dbraw/zinc/20/58/09/867205809.db2.gz	ZKXFVXAKWQOZQL-MFKMUULPSA-N	-1	3	363.195	1.172	20	10		FDCDHM
Cc1noc(C)c1[C@@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000733806692	922038701	/nfs/dbraw/zinc/03/87/01/922038701.db2.gz	JVSOLRFLMCMVKV-MRVPVSSYSA-N	-1	3	353.400	1.860	20	10		FDCDHM
CC(C)c1nccn1CCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000744389510	926654667	/nfs/dbraw/zinc/65/46/67/926654667.db2.gz	ASYMCOVRYKNOJE-UHFFFAOYSA-N	-1	3	366.443	1.514	20	10		FDCDHM
COc1ccc(S(N)(=O)=O)cc1NC(=O)c1ccc(C)c(O)c1[O-]	ZINC000770464755	930048209	/nfs/dbraw/zinc/04/82/09/930048209.db2.gz	BBOFNXIRCPTLDB-UHFFFAOYSA-N	-1	3	352.368	1.315	20	10		FDCDHM
COC(=O)CNC(=O)c1ccc(NC(=O)c2ccc(C)c(O)c2[O-])cc1	ZINC000770466506	930048634	/nfs/dbraw/zinc/04/86/34/930048634.db2.gz	PTDOSTZDVRDCKE-UHFFFAOYSA-N	-1	3	358.350	1.561	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H](CO)c2ccc(F)cc2)c1	ZINC000771134539	930490844	/nfs/dbraw/zinc/49/08/44/930490844.db2.gz	AGMLKMGCIOKKEJ-CQSZACIVSA-N	-1	3	368.386	1.366	20	10		FDCDHM
CNS(=O)(=O)c1ccc([C@H](C)NC(=O)c2cccc(O)c2[O-])cc1	ZINC000790569772	933605667	/nfs/dbraw/zinc/60/56/67/933605667.db2.gz	GKWKLSAPFWNQPW-JTQLQIEISA-N	-1	3	350.396	1.497	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCC(O)(C2CC2)C2CC2)c1	ZINC000855912389	970767418	/nfs/dbraw/zinc/76/74/18/970767418.db2.gz	UQVCBCABPKVRAM-UHFFFAOYSA-N	-1	3	354.428	1.045	20	10		FDCDHM
O=C(c1cccc(O)c1[O-])N1CCC[C@H](CNS(=O)(=O)C2CC2)C1	ZINC000807901305	940490096	/nfs/dbraw/zinc/49/00/96/940490096.db2.gz	AQXXSIOYHXMDED-LLVKDONJSA-N	-1	3	354.428	1.032	20	10		FDCDHM
CC[C@@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C[C@@H](CC)O1	ZINC000817635304	942844482	/nfs/dbraw/zinc/84/44/82/942844482.db2.gz	CLMJFNTVMSBLBQ-CHWSQXEVSA-N	-1	3	356.444	1.793	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H](CCO)CC2)c1	ZINC000857544198	971795075	/nfs/dbraw/zinc/79/50/75/971795075.db2.gz	HZLJJFYILRVLMD-GFCCVEGCSA-N	-1	3	356.444	1.388	20	10		FDCDHM
O=C(c1cccc(O)c1[O-])N(Cc1cn2c(n1)CNCC2)c1ccccn1	ZINC001148213568	952648249	/nfs/dbraw/zinc/64/82/49/952648249.db2.gz	HBICLDDPMZLXSL-UHFFFAOYSA-N	-1	3	365.393	1.640	20	10		FDCDHM
CN(C)C(=O)N[C@@H]1CCO[C@]2(CCN(C(=O)c3cccc(O)c3[O-])C2)C1	ZINC001148214809	952649384	/nfs/dbraw/zinc/64/93/84/952649384.db2.gz	YHAQGKPKFKATEH-KZULUSFZSA-N	-1	3	363.414	1.133	20	10		FDCDHM
O=C(NC1CCN(c2ccc(Cl)nn2)CC1)c1cc(O)c([O-])c(O)c1	ZINC001148580019	952757003	/nfs/dbraw/zinc/75/70/03/952757003.db2.gz	DKDKBXJAZAPUJT-UHFFFAOYSA-N	-1	3	364.789	1.646	20	10		FDCDHM
O=C(c1cc(O)c([O-])c(O)c1)N1Cc2nccn2C[C@H](Cn2cccn2)C1	ZINC001148583764	952757827	/nfs/dbraw/zinc/75/78/27/952757827.db2.gz	AGXQICNULLQGCJ-LBPRGKRZSA-N	-1	3	369.381	1.169	20	10		FDCDHM
COC(=O)C[C@@H]1CCCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000773285388	960424878	/nfs/dbraw/zinc/42/48/78/960424878.db2.gz	WWXKOUQNJOOSME-LBPRGKRZSA-N	-1	3	370.427	1.322	20	10		FDCDHM
CN(C)c1ccc([C@@H](CNC(=O)N2CC[C@@](C)(C(=O)[O-])C2)N(C)C)cc1	ZINC001521234104	962869823	/nfs/dbraw/zinc/86/98/23/962869823.db2.gz	LWXPPIJIMDFPCI-VQIMIIECSA-N	-1	3	362.474	1.862	20	10		FDCDHM
COc1ccc(N(CC(=O)[O-])CC(=O)NC[C@H]2CCN2C(C)(C)C)cc1	ZINC000853011505	967772972	/nfs/dbraw/zinc/77/29/72/967772972.db2.gz	XKLQFTCVARUXHN-OAHLLOKOSA-N	-1	3	363.458	1.575	20	10		FDCDHM
C[C@]1(C2CC2)CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCO1	ZINC000855294933	970276137	/nfs/dbraw/zinc/27/61/37/970276137.db2.gz	FGZFSCHLJQORDW-MRXNPFEDSA-N	-1	3	354.428	1.405	20	10		FDCDHM
Cc1ccc(C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)c([O-])c1O	ZINC000794913075	975572499	/nfs/dbraw/zinc/57/24/99/975572499.db2.gz	XRTQHFMVTJPETO-UHFFFAOYSA-N	-1	3	355.394	1.590	20	10		FDCDHM
CC[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@@H]1CCCCO1	ZINC000848348726	976666596	/nfs/dbraw/zinc/66/65/96/976666596.db2.gz	DQDFQPAQGUCNHQ-HIFRSBDPSA-N	-1	3	356.444	1.841	20	10		FDCDHM
COCCN(Cc1ccc([N+](=O)[O-])c(OC)c1[O-])C[C@@H](O)C(F)(F)F	ZINC000848922640	977238796	/nfs/dbraw/zinc/23/87/96/977238796.db2.gz	WGMRFHFRQRGLIS-LLVKDONJSA-N	-1	3	368.308	1.681	20	10		FDCDHM
CN(C)C(=O)NCCN(C)Cc1c2cc(F)ccc2n(C)c1C(=O)[O-]	ZINC001598490598	992284607	/nfs/dbraw/zinc/28/46/07/992284607.db2.gz	HCRTTXZSHAZOEV-UHFFFAOYSA-N	-1	3	350.394	1.719	20	10		FDCDHM
C[C@H]([NH2+][C@@H]1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1)c1ccccc1[O-]	ZINC001593231277	994372171	/nfs/dbraw/zinc/37/21/71/994372171.db2.gz	JAAKUFQZAJVAPE-IRSUPMPHSA-N	-1	3	353.440	1.853	20	10		FDCDHM
C[C@H]([NH2+]C1CCN(S(=O)(=O)C2CC2)CC1)c1cc(C(=O)[O-])ccc1[O-]	ZINC001593231442	994374851	/nfs/dbraw/zinc/37/48/51/994374851.db2.gz	KJQVYMQVMZKNRV-NSHDSACASA-N	-1	3	368.455	1.698	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)cc1	ZINC000777915298	1003208819	/nfs/dbraw/zinc/20/88/19/1003208819.db2.gz	LAZZUWLXOXYRIJ-UHFFFAOYSA-N	-1	3	370.408	1.588	20	10		FDCDHM
COc1cc(Br)cc(CN2C[C@](C)(CO)[C@](C)(CO)C2)c1[O-]	ZINC000529668695	539840353	/nfs/dbraw/zinc/84/03/53/539840353.db2.gz	MWJTTXNONQRTFG-IYBDPMFKSA-N	-1	3	374.275	1.976	20	10		FDCDHM
COC(=O)[C@@H](CC(C)C)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000271200653	674321561	/nfs/dbraw/zinc/32/15/61/674321561.db2.gz	IVOKSYREWFEFMX-GFCCVEGCSA-N	-1	3	358.416	1.081	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCC[C@H]3OCC[C@@H]32)c1	ZINC000271234105	674326125	/nfs/dbraw/zinc/32/61/25/674326125.db2.gz	DTXCACJNZGJWOZ-UXIGCNINSA-N	-1	3	354.428	1.451	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCCC[C@@H]2c2ncc[nH]2)c1	ZINC000271303186	674332877	/nfs/dbraw/zinc/33/28/77/674332877.db2.gz	RFIHYALFSZNBSF-CYBMUJFWSA-N	-1	3	364.427	1.854	20	10		FDCDHM
CCN(CC(=O)N1CCNC1=O)Cc1cc(Br)ccc1[O-]	ZINC000072876261	522416082	/nfs/dbraw/zinc/41/60/82/522416082.db2.gz	CMIPUJJAGXILKK-UHFFFAOYSA-N	-1	3	356.220	1.528	20	10		FDCDHM
CCN(CCNS(C)(=O)=O)Cc1cc(Br)ccc1[O-]	ZINC000076118468	523026759	/nfs/dbraw/zinc/02/67/59/523026759.db2.gz	ZMGMYFYIFWOCQY-UHFFFAOYSA-N	-1	3	351.266	1.526	20	10		FDCDHM
CC(=O)c1cc(F)cc(CN2CCN(C(=O)[C@@H]3CCCO3)CC2)c1[O-]	ZINC000177230634	525259637	/nfs/dbraw/zinc/25/96/37/525259637.db2.gz	FVWWJQZZBZRTCL-INIZCTEOSA-N	-1	3	350.390	1.557	20	10		FDCDHM
CN1CCO[C@H](C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)C1	ZINC000134267008	526142628	/nfs/dbraw/zinc/14/26/28/526142628.db2.gz	JAWLPHASPCBPAF-WBVHZDCISA-N	-1	3	367.877	1.457	20	10		FDCDHM
CC(C)N(C)C(=O)C1CCN(C(=O)CN(C)Cc2ccccc2[O-])CC1	ZINC000109771987	526183671	/nfs/dbraw/zinc/18/36/71/526183671.db2.gz	WXCHSFLHYQIIHB-UHFFFAOYSA-N	-1	3	361.486	1.929	20	10		FDCDHM
COC(=O)C[C@H]1C(=O)NCCN1Cc1cc(Br)cc(C)c1[O-]	ZINC000183507981	535993662	/nfs/dbraw/zinc/99/36/62/535993662.db2.gz	BDAUAUUTERWRQD-LBPRGKRZSA-N	-1	3	371.231	1.327	20	10		FDCDHM
COC(=O)CCN(Cc1cc(F)cc(C(C)=O)c1[O-])CC(OC)OC	ZINC000274323865	537523821	/nfs/dbraw/zinc/52/38/21/537523821.db2.gz	PLXKZIKAQMCWMG-UHFFFAOYSA-N	-1	3	357.378	1.718	20	10		FDCDHM
CNS(=O)(=O)NC1CCN(Cc2cc(Cl)cc(OC)c2[O-])CC1	ZINC000291608912	537641195	/nfs/dbraw/zinc/64/11/95/537641195.db2.gz	QWGYFVWYCJEWOO-UHFFFAOYSA-N	-1	3	363.867	1.072	20	10		FDCDHM
O=C(c1cccc(O)c1[O-])N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21	ZINC000377122455	537957166	/nfs/dbraw/zinc/95/71/66/537957166.db2.gz	GDUOUBVPXLRGAO-QWHCGFSZSA-N	-1	3	368.389	1.747	20	10		FDCDHM
CNC(=O)CN1CCCN(Cc2cc(Br)ccc2[O-])CC1	ZINC000367422543	537958299	/nfs/dbraw/zinc/95/82/99/537958299.db2.gz	KYXKKFWHTXEKBG-UHFFFAOYSA-N	-1	3	356.264	1.408	20	10		FDCDHM
COC(=O)[C@@H](NCc1ccc2c(c1)CCO2)c1ccc(-c2nnn[n-]2)cc1	ZINC000736899092	598885124	/nfs/dbraw/zinc/88/51/24/598885124.db2.gz	SPRAXXPZGYHFSG-KRWDZBQOSA-N	-1	3	365.393	1.806	20	10		FDCDHM
COC(=O)[C@@H](NCc1ccc2c(c1)CCO2)c1ccc(-c2nn[n-]n2)cc1	ZINC000736899092	598885126	/nfs/dbraw/zinc/88/51/26/598885126.db2.gz	SPRAXXPZGYHFSG-KRWDZBQOSA-N	-1	3	365.393	1.806	20	10		FDCDHM
COc1ccc(C=C2SC(N3CCOCC3)=NC2=O)cc1-c1nnn[n-]1	ZINC000737084778	599154230	/nfs/dbraw/zinc/15/42/30/599154230.db2.gz	VURODGIVQBGCKM-LCYFTJDESA-N	-1	3	372.410	1.178	20	10		FDCDHM
COc1ccc(C=C2SC(N3CCOCC3)=NC2=O)cc1-c1nn[n-]n1	ZINC000737084778	599154232	/nfs/dbraw/zinc/15/42/32/599154232.db2.gz	VURODGIVQBGCKM-LCYFTJDESA-N	-1	3	372.410	1.178	20	10		FDCDHM
COC(=O)CN(C)C(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C	ZINC000736918685	598610267	/nfs/dbraw/zinc/61/02/67/598610267.db2.gz	IFSIWXJJLIVKJT-UHFFFAOYSA-N	-1	3	368.397	1.519	20	10		FDCDHM
CC1(C)C[C@@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C(C)(C)O1	ZINC000272526944	674454561	/nfs/dbraw/zinc/45/45/61/674454561.db2.gz	SRQLTEFYOVSUMX-CYBMUJFWSA-N	-1	3	356.444	1.840	20	10		FDCDHM
COc1ccc(O)c([C@@H](C)NC(=O)COc2cccc(-c3nnn[n-]3)c2)c1	ZINC000737106231	598779012	/nfs/dbraw/zinc/77/90/12/598779012.db2.gz	QFWWNCXBJVSSDV-LLVKDONJSA-N	-1	3	369.381	1.837	20	10		FDCDHM
COc1ccc(O)c([C@@H](C)NC(=O)COc2cccc(-c3nn[n-]n3)c2)c1	ZINC000737106231	598779013	/nfs/dbraw/zinc/77/90/13/598779013.db2.gz	QFWWNCXBJVSSDV-LLVKDONJSA-N	-1	3	369.381	1.837	20	10		FDCDHM
COc1cccc(CNC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1O	ZINC000821867973	607234519	/nfs/dbraw/zinc/23/45/19/607234519.db2.gz	NIJRWLIFQUXLIJ-MDZDMXLPSA-N	-1	3	351.366	1.911	20	10		FDCDHM
COc1cccc(CNC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1O	ZINC000821867973	607234520	/nfs/dbraw/zinc/23/45/20/607234520.db2.gz	NIJRWLIFQUXLIJ-MDZDMXLPSA-N	-1	3	351.366	1.911	20	10		FDCDHM
Cc1cc(C(=O)N2CC[C@@H](CO)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1	ZINC000826257767	607997067	/nfs/dbraw/zinc/99/70/67/607997067.db2.gz	ONZXMNZOOXGXOT-CQSZACIVSA-N	-1	3	366.425	1.729	20	10		FDCDHM
Cc1cc(C(=O)NC(C)(C)CO)c(C)n1-c1ccc(-c2nn[n-]n2)cc1	ZINC000826258758	609393208	/nfs/dbraw/zinc/39/32/08/609393208.db2.gz	VJDSAZCNBHVCTI-UHFFFAOYSA-N	-1	3	354.414	1.775	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CCO[C@H](C3CC3)C2)c1	ZINC000274181845	674586156	/nfs/dbraw/zinc/58/61/56/674586156.db2.gz	DIRRJTLFKQDCGF-NHYWBVRUSA-N	-1	3	354.428	1.451	20	10		FDCDHM
C[C@](O)(CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C1CCCCC1	ZINC000276784311	674768258	/nfs/dbraw/zinc/76/82/58/674768258.db2.gz	QDXAZWPLWNDEOJ-KRWDZBQOSA-N	-1	3	370.471	1.825	20	10		FDCDHM
Cn1cc(S(=O)(=O)[N-]CCCSc2nccs2)nc1Cl	ZINC000131248225	671802423	/nfs/dbraw/zinc/80/24/23/671802423.db2.gz	HKVVBQBRJSRQKX-UHFFFAOYSA-N	-1	3	352.894	1.991	20	10		FDCDHM
O=C([C@@H]1CCCO1)N1CCN(Cc2cc(Br)ccc2[O-])CC1	ZINC000160958919	672005883	/nfs/dbraw/zinc/00/58/83/672005883.db2.gz	YWYXNLBOBKSMLR-HNNXBMFYSA-N	-1	3	369.259	1.978	20	10		FDCDHM
COC(=O)CCN1CCN(Cc2cc(F)cc(C(C)=O)c2[O-])[C@H](C)C1	ZINC000182124665	672207608	/nfs/dbraw/zinc/20/76/08/672207608.db2.gz	PZSDBBNMJKASBL-GFCCVEGCSA-N	-1	3	352.406	1.803	20	10		FDCDHM
O=C(c1cccc(O)c1[O-])N1CCC(S(=O)(=O)N2CCCC2)CC1	ZINC000282084536	675595928	/nfs/dbraw/zinc/59/59/28/675595928.db2.gz	CTCSAXAFDVLOSP-UHFFFAOYSA-N	-1	3	354.428	1.128	20	10		FDCDHM
CCC[C@H](C)C(=O)NCCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000293760225	676363813	/nfs/dbraw/zinc/36/38/13/676363813.db2.gz	UYSXBFIADFAULD-NSHDSACASA-N	-1	3	371.459	1.046	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC[C@]3(C2)CCCOC3)c1	ZINC000368607219	677500869	/nfs/dbraw/zinc/50/08/69/677500869.db2.gz	YGHIXHGLETXGED-INIZCTEOSA-N	-1	3	354.428	1.406	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@]3(CCCCO3)C2)c1	ZINC000369691216	677510630	/nfs/dbraw/zinc/51/06/30/677510630.db2.gz	CUPVNZRGXYDCFL-QGZVFWFLSA-N	-1	3	368.455	1.939	20	10		FDCDHM
O=C(CN1CCC(NC(=O)c2cccc(O)c2[O-])CC1)Nc1ccccc1	ZINC000274878369	770925911	/nfs/dbraw/zinc/92/59/11/770925911.db2.gz	HJNUFJMRVYBUDG-UHFFFAOYSA-N	-1	3	369.421	1.931	20	10		FDCDHM
COC(=O)c1ccc([O-])c([C@H](C)Nc2cnn(CC(=O)NC3CC3)c2)c1	ZINC000273471249	814795172	/nfs/dbraw/zinc/79/51/72/814795172.db2.gz	RZRPSYCEVKAGBC-NSHDSACASA-N	-1	3	358.398	1.827	20	10		FDCDHM
CN(C)c1ccc(CN(C)C(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)cc1	ZINC000898817757	845290392	/nfs/dbraw/zinc/29/03/92/845290392.db2.gz	HNUPOJRNMCEGQY-HNNXBMFYSA-N	-1	3	370.457	1.669	20	10		FDCDHM
O=C(NCc1c([O-])cccc1F)N[C@@H]1CCN(C2CCOCC2)C1=O	ZINC000921272237	887597148	/nfs/dbraw/zinc/59/71/48/887597148.db2.gz	LDLOXMBNDQFNCJ-CQSZACIVSA-N	-1	3	351.378	1.110	20	10		FDCDHM
COC(=O)c1nscc1S(=O)(=O)[N-]Cc1ccc(N(C)C)c(F)c1	ZINC000751058079	912046190	/nfs/dbraw/zinc/04/61/90/912046190.db2.gz	QRWBEDZHEOQMJK-UHFFFAOYSA-N	-1	3	373.431	1.613	20	10		FDCDHM
Cc1cc(NC(=O)c2cccc(O)c2[O-])n([C@@H]2CCS(=O)(=O)C2)n1	ZINC000790568688	933605698	/nfs/dbraw/zinc/60/56/98/933605698.db2.gz	OPBCOHJWKYYNNQ-SNVBAGLBSA-N	-1	3	351.384	1.215	20	10		FDCDHM
Cc1cc(C(=O)COC(=O)c2cnn[n-]2)c(C)n1-c1ccc2c(c1)OCO2	ZINC000805607777	938801633	/nfs/dbraw/zinc/80/16/33/938801633.db2.gz	PXOWDFBUBYHZOC-UHFFFAOYSA-N	-1	3	368.349	1.981	20	10		FDCDHM
Cc1cc(C(=O)COC(=O)c2c[n-]nn2)c(C)n1-c1ccc2c(c1)OCO2	ZINC000805607777	938801638	/nfs/dbraw/zinc/80/16/38/938801638.db2.gz	PXOWDFBUBYHZOC-UHFFFAOYSA-N	-1	3	368.349	1.981	20	10		FDCDHM
Cc1cc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cn2ccnc12	ZINC000818050797	943167639	/nfs/dbraw/zinc/16/76/39/943167639.db2.gz	QSELHYGVAXJCRC-UHFFFAOYSA-N	-1	3	360.395	1.972	20	10		FDCDHM
Cc1cc([O-])c(CN2CCN(CC(=O)N3CCOCC3)CC2)cc1Cl	ZINC000824535943	946511223	/nfs/dbraw/zinc/51/12/23/946511223.db2.gz	ZLQCUDZMYQJQSZ-UHFFFAOYSA-N	-1	3	367.877	1.330	20	10		FDCDHM
COCCOCCN1CCN(Cc2cc(Br)ccc2[O-])CC1	ZINC000846118738	950515848	/nfs/dbraw/zinc/51/58/48/950515848.db2.gz	YQJAHEINCKCYEH-UHFFFAOYSA-N	-1	3	373.291	1.935	20	10		FDCDHM
O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1cc2n(n1)CCNC2=O	ZINC001147548857	952429424	/nfs/dbraw/zinc/42/94/24/952429424.db2.gz	BMFZYPRVXCGHHV-UHFFFAOYSA-N	-1	3	371.784	1.464	20	10		FDCDHM
O=C(c1cccc(O)c1[O-])N1CC[C@@H]2[C@H]1CC(=O)N2Cc1cccnc1	ZINC001148214153	952648758	/nfs/dbraw/zinc/64/87/58/952648758.db2.gz	OSKABVKVXAIQKF-HUUCEWRRSA-N	-1	3	353.378	1.508	20	10		FDCDHM
O=C(c1cc(O)c([O-])c(O)c1)N1CCC2(CC1)OC(=O)c1ccncc12	ZINC001148588572	952760495	/nfs/dbraw/zinc/76/04/95/952760495.db2.gz	UZHQINWWAFWLQK-UHFFFAOYSA-N	-1	3	356.334	1.500	20	10		FDCDHM
COc1cccc(O)c1CN[C@H]1CCN([C@@H](C(=O)[O-])c2ccccc2)C1=O	ZINC001594131881	958683675	/nfs/dbraw/zinc/68/36/75/958683675.db2.gz	SVCRPMOWDDAJQA-MAUKXSAKSA-N	-1	3	370.405	1.917	20	10		FDCDHM
CC(C)(C)OC(=O)N1C[C@@H](NCC(=O)c2ccc([O-])c(O)c2)CC1=O	ZINC001171691766	961279785	/nfs/dbraw/zinc/27/97/85/961279785.db2.gz	UZEPMLZDAHDFEC-NSHDSACASA-N	-1	3	350.371	1.406	20	10		FDCDHM
CN(CC(=O)NCc1cc(Cl)c2cccnc2c1[O-])S(C)(=O)=O	ZINC001182882435	962625818	/nfs/dbraw/zinc/62/58/18/962625818.db2.gz	COHPFRLXBJHONB-UHFFFAOYSA-N	-1	3	357.819	1.101	20	10		FDCDHM
O=C(NCCc1cc(O)c(O)cc1O)c1ccc(Br)c(=O)[n-]1	ZINC001193162651	969522226	/nfs/dbraw/zinc/52/22/26/969522226.db2.gz	KGFJSXKWJGMIBA-UHFFFAOYSA-N	-1	3	369.171	1.639	20	10		FDCDHM
CN1CCN(c2ncc(NC(=O)c3ccc(O)c([O-])c3Cl)cn2)CC1	ZINC001193208658	969537318	/nfs/dbraw/zinc/53/73/18/969537318.db2.gz	AHKQXMWFUNLXQF-UHFFFAOYSA-N	-1	3	363.805	1.545	20	10		FDCDHM
COc1ccc(S(=O)(=O)NCc2c([O-])cccc2F)cc1C(N)=O	ZINC001195138157	970715768	/nfs/dbraw/zinc/71/57/68/970715768.db2.gz	UILYPCFRQYLZFM-UHFFFAOYSA-N	-1	3	354.359	1.117	20	10		FDCDHM
CN(C)S(=O)(=O)c1ccc(CNC(=O)c2cccc(O)c2[O-])cc1	ZINC000776337660	975938732	/nfs/dbraw/zinc/93/87/32/975938732.db2.gz	YTMGRTMCFYRAKH-UHFFFAOYSA-N	-1	3	350.396	1.278	20	10		FDCDHM
CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cc(=O)[n-]c(C2CC2)n1	ZINC000848231935	976514914	/nfs/dbraw/zinc/51/49/14/976514914.db2.gz	QVOVQAWFQPIYIW-UHFFFAOYSA-N	-1	3	371.393	1.971	20	10		FDCDHM
CN1CCN(c2ccc(CNC(=O)c3cc([O-])cc([N+](=O)[O-])c3)cc2)CC1	ZINC000881851327	980213296	/nfs/dbraw/zinc/21/32/96/980213296.db2.gz	RAVLNKKBUYKDMC-UHFFFAOYSA-N	-1	3	370.409	1.982	20	10		FDCDHM
C[C@@H](NC1CN(S(=O)(=O)N(C)C)C1)c1cc(Cl)c(Cl)cc1[O-]	ZINC000858572403	982123283	/nfs/dbraw/zinc/12/32/83/982123283.db2.gz	RYBMQTMQUHSMQS-MRVPVSSYSA-N	-1	3	368.286	1.840	20	10		FDCDHM
[O-]c1cccc(Br)c1CN1CCN(c2nccnn2)CC1	ZINC000862442246	984391228	/nfs/dbraw/zinc/39/12/28/984391228.db2.gz	GVTFPFCKPNTZOQ-UHFFFAOYSA-N	-1	3	350.220	1.662	20	10		FDCDHM
CNS(=O)(=O)C[C@H]1CCCN(Cc2cc(Cl)c(F)cc2[O-])C1	ZINC000862549874	984409485	/nfs/dbraw/zinc/40/94/85/984409485.db2.gz	AHQZGJOKGPGRAA-JTQLQIEISA-N	-1	3	350.843	1.946	20	10		FDCDHM
COc1ccc(N2CCN(C(=O)CN(C)C(C)(C)CC(=O)[O-])CC2)cc1	ZINC001599585155	993603796	/nfs/dbraw/zinc/60/37/96/993603796.db2.gz	NFGBMIFFDMNHRT-UHFFFAOYSA-N	-1	3	363.458	1.529	20	10		FDCDHM
CC(=O)c1cc(F)cc(CN2CCC[C@H]2CNC(=O)c2cnn(C)c2)c1[O-]	ZINC000879190255	994616159	/nfs/dbraw/zinc/61/61/59/994616159.db2.gz	LNBZJFUKSSRFAL-INIZCTEOSA-N	-1	3	374.416	1.862	20	10		FDCDHM
COC(=O)[C@@H]1CCN(Cc2cc(Cl)cc(OC)c2O)[C@H](C(=O)[O-])C1	ZINC001598797082	996115722	/nfs/dbraw/zinc/11/57/22/996115722.db2.gz	AFHJMFVYNXKBGJ-SKDRFNHKSA-N	-1	3	357.790	1.892	20	10		FDCDHM
O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc2c(c1)C(=O)[N-]C2=O	ZINC000264201211	997425513	/nfs/dbraw/zinc/42/55/13/997425513.db2.gz	FLRPCBMHNRHBLF-UHFFFAOYSA-N	-1	3	365.389	1.337	20	10		FDCDHM
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1[nH]c(=O)[n-]c(=O)c1N	ZINC000266169473	999124564	/nfs/dbraw/zinc/12/45/64/999124564.db2.gz	DYTXSBWNQDCXBS-UHFFFAOYSA-N	-1	3	357.414	1.733	20	10		FDCDHM
CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NCc1c([O-])cccc1F	ZINC000928712645	1001633680	/nfs/dbraw/zinc/63/36/80/1001633680.db2.gz	VEZUXPOHZNMFEP-CQSZACIVSA-N	-1	3	358.435	1.742	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CCOC3(CCC3)C2)c1	ZINC000269026132	674105712	/nfs/dbraw/zinc/10/57/12/674105712.db2.gz	GJOOXTIJTUHVOH-LBPRGKRZSA-N	-1	3	354.428	1.595	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N(C[C@@H]2CCOC2)C2CC2)c1	ZINC000271225706	674324794	/nfs/dbraw/zinc/32/47/94/674324794.db2.gz	HEUADHNFZUIZIR-NSHDSACASA-N	-1	3	354.428	1.405	20	10		FDCDHM
C[C@@H](NC(=O)CNC(=O)CN(C)Cc1ccccc1[O-])c1ccc(F)cc1	ZINC000072629593	522338565	/nfs/dbraw/zinc/33/85/65/522338565.db2.gz	MVQCTDFXHBFWOC-CQSZACIVSA-N	-1	3	373.428	1.957	20	10		FDCDHM
Cc1ncsc1CN(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000066650386	523152591	/nfs/dbraw/zinc/15/25/91/523152591.db2.gz	ZUZVHQOQVJGJLK-UHFFFAOYSA-N	-1	3	355.441	1.801	20	10		FDCDHM
C[N-]S(=O)(=O)c1cc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c(C)o1	ZINC000081578747	524154433	/nfs/dbraw/zinc/15/44/33/524154433.db2.gz	OHQILEWUWPYAHI-UHFFFAOYSA-N	-1	3	365.455	1.834	20	10		FDCDHM
CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@H]1CN(C)CCO1	ZINC000085546148	524362109	/nfs/dbraw/zinc/36/21/09/524362109.db2.gz	DWGLPLSZYVSCKL-CQSZACIVSA-N	-1	3	357.248	1.834	20	10		FDCDHM
CCCN(Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O)Cc1ccccc1[O-]	ZINC000161530297	525122681	/nfs/dbraw/zinc/12/26/81/525122681.db2.gz	BXZUISINQNDUQN-UHFFFAOYSA-N	-1	3	357.414	1.078	20	10		FDCDHM
C[N-]S(=O)(=O)c1ccc(C(=O)NCc2ccc(N(C)C)c(F)c2)cn1	ZINC000184833447	536186686	/nfs/dbraw/zinc/18/66/86/536186686.db2.gz	OJJFWDLGCCSSIW-UHFFFAOYSA-N	-1	3	366.418	1.125	20	10		FDCDHM
C[C@H]1C[C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CN1C1CC1	ZINC000267858332	537000993	/nfs/dbraw/zinc/00/09/93/537000993.db2.gz	HZPFXMDRYVMDDG-JQWIXIFHSA-N	-1	3	353.444	1.119	20	10		FDCDHM
CCO[C@H]1C[C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C12CCC2	ZINC000266452517	537203478	/nfs/dbraw/zinc/20/34/78/537203478.db2.gz	BZEGKVVNEFVDKS-GJZGRUSLSA-N	-1	3	368.455	1.841	20	10		FDCDHM
CCOc1ccnc(N2CCCN(C(=O)c3cccc(O)c3[O-])CC2)n1	ZINC000279852296	537356014	/nfs/dbraw/zinc/35/60/14/537356014.db2.gz	PCKKBOFDBQKEME-UHFFFAOYSA-N	-1	3	358.398	1.639	20	10		FDCDHM
COc1cc(Cl)cc(CN2CC[C@H](S(=O)(=O)NC(C)C)C2)c1[O-]	ZINC000363909889	537362176	/nfs/dbraw/zinc/36/21/76/537362176.db2.gz	PDRCDDMBKHKGNP-ZDUSSCGKSA-N	-1	3	362.879	1.956	20	10		FDCDHM
C[C@H](CCO)C1(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCC1	ZINC000271909835	537504888	/nfs/dbraw/zinc/50/48/88/537504888.db2.gz	RKCCVTVKYJYZCR-GFCCVEGCSA-N	-1	3	370.471	1.682	20	10		FDCDHM
C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCCc1ccc(N)cc1	ZINC000237519477	537631609	/nfs/dbraw/zinc/63/16/09/537631609.db2.gz	ZYIYMWQHQFHMHZ-NSHDSACASA-N	-1	3	353.469	1.356	20	10		FDCDHM
COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)c1cc2n(n1)CCO2	ZINC000291721769	537667927	/nfs/dbraw/zinc/66/79/27/537667927.db2.gz	RBJKEDHXIBOGIZ-UHFFFAOYSA-N	-1	3	365.773	1.450	20	10		FDCDHM
CC(C)[C@H](O)C1(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1	ZINC000271934932	674397902	/nfs/dbraw/zinc/39/79/02/674397902.db2.gz	VXWKXXGRDRXMJV-AWEZNQCLSA-N	-1	3	356.444	1.291	20	10		FDCDHM
Cc1ccc(C(=O)OCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)c(O)c1O	ZINC000737316139	598409835	/nfs/dbraw/zinc/40/98/35/598409835.db2.gz	UGVCFPIFKWWALX-UHFFFAOYSA-N	-1	3	369.337	1.382	20	10		FDCDHM
Cc1ccc(C(=O)OCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)c(O)c1O	ZINC000737316139	598409836	/nfs/dbraw/zinc/40/98/36/598409836.db2.gz	UGVCFPIFKWWALX-UHFFFAOYSA-N	-1	3	369.337	1.382	20	10		FDCDHM
COCCN(C)C(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C	ZINC000736987461	598610216	/nfs/dbraw/zinc/61/02/16/598610216.db2.gz	CQJZAWIXZREWDV-UHFFFAOYSA-N	-1	3	354.414	1.993	20	10		FDCDHM
COc1ccc(O)c(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c1	ZINC000826210525	607637883	/nfs/dbraw/zinc/63/78/83/607637883.db2.gz	VJUJLPSCOUYILL-UHFFFAOYSA-N	-1	3	361.383	1.059	20	10		FDCDHM
COc1ccc(O)c(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c1	ZINC000826210525	607637884	/nfs/dbraw/zinc/63/78/84/607637884.db2.gz	VJUJLPSCOUYILL-UHFFFAOYSA-N	-1	3	361.383	1.059	20	10		FDCDHM
O=C(c1cc(-c2nnn[n-]2)c[nH]1)N(Cc1ccccc1O)C[C@H]1CCCO1	ZINC000823460051	606273708	/nfs/dbraw/zinc/27/37/08/606273708.db2.gz	GTPOCKWODDQOLU-CQSZACIVSA-N	-1	3	368.397	1.722	20	10		FDCDHM
O=C(c1cc(-c2nn[n-]n2)c[nH]1)N(Cc1ccccc1O)C[C@H]1CCCO1	ZINC000823460051	606273709	/nfs/dbraw/zinc/27/37/09/606273709.db2.gz	GTPOCKWODDQOLU-CQSZACIVSA-N	-1	3	368.397	1.722	20	10		FDCDHM
C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCc1ccc(O)c(O)c1	ZINC000820542375	607191563	/nfs/dbraw/zinc/19/15/63/607191563.db2.gz	NLOKMMBEYSUSSC-JTQLQIEISA-N	-1	3	355.354	1.362	20	10		FDCDHM
C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCc1ccc(O)c(O)c1	ZINC000820542375	607191564	/nfs/dbraw/zinc/19/15/64/607191564.db2.gz	NLOKMMBEYSUSSC-JTQLQIEISA-N	-1	3	355.354	1.362	20	10		FDCDHM
Cc1cc(C(=O)NC2(C(N)=O)CC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1	ZINC000822167372	607223293	/nfs/dbraw/zinc/22/32/93/607223293.db2.gz	DHYYREOJZFDPLS-UHFFFAOYSA-N	-1	3	365.397	1.022	20	10		FDCDHM
COc1ccc(N2CCN(c3nc(C)ccc3-c3nnn[n-]3)CC2)cc1	ZINC000826209641	608269930	/nfs/dbraw/zinc/26/99/30/608269930.db2.gz	KFTIFTPVEHIOAQ-UHFFFAOYSA-N	-1	3	351.414	1.905	20	10		FDCDHM
COc1ccc(N2CCN(c3nc(C)ccc3-c3nn[n-]n3)CC2)cc1	ZINC000826209641	608269931	/nfs/dbraw/zinc/26/99/31/608269931.db2.gz	KFTIFTPVEHIOAQ-UHFFFAOYSA-N	-1	3	351.414	1.905	20	10		FDCDHM
Cn1c(-c2ccccc2)cnc1SCc1cc(=O)n2nc(N)[n-]c2n1	ZINC000127923840	671773471	/nfs/dbraw/zinc/77/34/71/671773471.db2.gz	DOPXZJBKZPILGQ-UHFFFAOYSA-N	-1	3	353.411	1.693	20	10		FDCDHM
COC(=O)CN(Cc1cc(=O)c(O)co1)Cc1cc(Cl)ccc1[O-]	ZINC000265480236	672933518	/nfs/dbraw/zinc/93/35/18/672933518.db2.gz	HEPJOZQKYFTSNM-UHFFFAOYSA-N	-1	3	353.758	1.880	20	10		FDCDHM
CN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C	ZINC000378365265	678744911	/nfs/dbraw/zinc/74/49/11/678744911.db2.gz	IVZJFJNTRSFMNT-GLQYFDAESA-N	-1	3	368.455	1.649	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H]2c2ncc[nH]2)c1	ZINC000378515138	678750213	/nfs/dbraw/zinc/75/02/13/678750213.db2.gz	AFJRKSQHIBYPTD-LBPRGKRZSA-N	-1	3	350.400	1.464	20	10		FDCDHM
COC(=O)C=Cc1ccc(N2CCc3nc[n-]c(=O)c3C2)c([N+](=O)[O-])c1	ZINC000301770227	827672605	/nfs/dbraw/zinc/67/26/05/827672605.db2.gz	FGOYPAHEJJMKMI-HWKANZROSA-N	-1	3	356.338	1.839	20	10		FDCDHM
Cc1nocc1S(=O)(=O)[N-]C[C@H](c1ccc(N(C)C)cc1)N(C)C	ZINC000908459281	855443814	/nfs/dbraw/zinc/44/38/14/855443814.db2.gz	DWKZZRUYYWVVJV-OAHLLOKOSA-N	-1	3	352.460	1.630	20	10		FDCDHM
CN1CCN(c2cc(CNC(=O)NCc3c([O-])cccc3F)ccn2)CC1	ZINC000914034434	870441112	/nfs/dbraw/zinc/44/11/12/870441112.db2.gz	ZSHRVDXFYDVROA-UHFFFAOYSA-N	-1	3	373.432	1.678	20	10		FDCDHM
CNS(=O)(=O)c1ccc2c(c1)N(C(=O)c1ccc(C)c(O)c1[O-])CC2	ZINC000770498445	930052511	/nfs/dbraw/zinc/05/25/11/930052511.db2.gz	BQKIJCPROHPKGO-UHFFFAOYSA-N	-1	3	362.407	1.517	20	10		FDCDHM
Cc1ccc(OCC(=O)N2CCN(C(=O)c3cccc(O)c3[O-])CC2)cc1	ZINC000790606411	933625244	/nfs/dbraw/zinc/62/52/44/933625244.db2.gz	CDINPVPCHXRCDY-UHFFFAOYSA-N	-1	3	370.405	1.770	20	10		FDCDHM
C[N-]S(=O)(=O)c1cc(C(=O)NCc2ccc(OC)cc2O)ccc1F	ZINC000794381754	938396227	/nfs/dbraw/zinc/39/62/27/938396227.db2.gz	STPVBJGCDNWESA-UHFFFAOYSA-N	-1	3	368.386	1.378	20	10		FDCDHM
CN(C)c1nc(C(=O)NCc2cc(Br)ccc2O)cc(=O)[n-]1	ZINC000804741413	938547921	/nfs/dbraw/zinc/54/79/21/938547921.db2.gz	XNFXLISODZGKOL-UHFFFAOYSA-N	-1	3	367.203	1.646	20	10		FDCDHM
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C	ZINC000808097151	940518490	/nfs/dbraw/zinc/51/84/90/940518490.db2.gz	RXVNRNRBQCGQFQ-AWEZNQCLSA-N	-1	3	363.476	1.458	20	10		FDCDHM
CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(N)cc3[O-])cc2)CC1	ZINC000818000001	943102919	/nfs/dbraw/zinc/10/29/19/943102919.db2.gz	BMYRQFPHMHKJTM-UHFFFAOYSA-N	-1	3	368.437	1.573	20	10		FDCDHM
O=S(=O)([N-]Cc1ccc(O)cc1O)c1ccc(Br)cn1	ZINC001196180662	971527113	/nfs/dbraw/zinc/52/71/13/971527113.db2.gz	OQKGWLMCONLOSJ-UHFFFAOYSA-N	-1	3	359.201	1.734	20	10		FDCDHM
COC(=O)CC[C@H](NC(=O)c1cccc(O)c1[O-])C(=O)OC(C)(C)C	ZINC000846286998	950852059	/nfs/dbraw/zinc/85/20/59/950852059.db2.gz	JDSHXHYDMGXZFL-NSHDSACASA-N	-1	3	353.371	1.491	20	10		FDCDHM
CC(C)O[C@H]1CCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1	ZINC000846368488	951027595	/nfs/dbraw/zinc/02/75/95/951027595.db2.gz	ZFXPPAXAWUGASI-ZDUSSCGKSA-N	-1	3	356.444	1.793	20	10		FDCDHM
CN1CCC[C@H]1C(=O)N1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1	ZINC000775727908	971794928	/nfs/dbraw/zinc/79/49/28/971794928.db2.gz	BAPFTUBEMFLWFP-HNNXBMFYSA-N	-1	3	355.841	1.923	20	10		FDCDHM
O=C(c1cccc(O)c1[O-])N1CCc2nnc(Cn3cccc3)n2CC1	ZINC001148214773	952649521	/nfs/dbraw/zinc/64/95/21/952649521.db2.gz	WZAACHAYWOXVNW-UHFFFAOYSA-N	-1	3	353.382	1.238	20	10		FDCDHM
O=C(c1cc(O)c([O-])c(O)c1)N1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC001148581184	952757111	/nfs/dbraw/zinc/75/71/11/952757111.db2.gz	OGZNWRCBMYQKDF-UHFFFAOYSA-N	-1	3	372.377	1.490	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC[C@@H]2C[C@H]2c2cccnc2)c1	ZINC000774249010	961912871	/nfs/dbraw/zinc/91/28/71/961912871.db2.gz	HJJQNGFRIJVZEB-JSGCOSHPSA-N	-1	3	361.423	1.692	20	10		FDCDHM
CN(C)c1ccc([C@@H](CNC(=O)N2CC[C@](C)(C(=O)[O-])C2)N(C)C)cc1	ZINC001521234101	962868769	/nfs/dbraw/zinc/86/87/69/962868769.db2.gz	LWXPPIJIMDFPCI-APWZRJJASA-N	-1	3	362.474	1.862	20	10		FDCDHM
CN1CCN(c2cc(NC(=O)c3ccc(O)c([O-])c3Cl)ncn2)CC1	ZINC001193210250	969537467	/nfs/dbraw/zinc/53/74/67/969537467.db2.gz	WPDJXZLVUDMYDA-UHFFFAOYSA-N	-1	3	363.805	1.545	20	10		FDCDHM
CC[S@@](C)(=O)=NS(=O)(=O)[N-][C@@H](C)Cc1ccc(N(C)C)cc1C	ZINC000867408689	975178891	/nfs/dbraw/zinc/17/88/91/975178891.db2.gz	BEZMSKXFASNKGG-WHEQGISXSA-N	-1	3	361.533	1.944	20	10		FDCDHM
O=S(=O)(N=S1(=O)CCCC1)[N-]CCCSc1nccs1	ZINC000866782627	976039437	/nfs/dbraw/zinc/03/94/37/976039437.db2.gz	WNCGIZSLSVCNSO-UHFFFAOYSA-N	-1	3	355.532	1.722	20	10		FDCDHM
C[C@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C(=O)OC(C)(C)C	ZINC000848308598	976594500	/nfs/dbraw/zinc/59/45/00/976594500.db2.gz	IDDPEUAYWHKFIT-SNVBAGLBSA-N	-1	3	372.443	1.471	20	10		FDCDHM
CC[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@H]1CCCCO1	ZINC000848348727	976665992	/nfs/dbraw/zinc/66/59/92/976665992.db2.gz	DQDFQPAQGUCNHQ-UKRRQHHQSA-N	-1	3	356.444	1.841	20	10		FDCDHM
CNS(=O)(=O)C[C@@H]1CCCN(Cc2c([O-])ccc(Cl)c2F)C1	ZINC000862550207	984409326	/nfs/dbraw/zinc/40/93/26/984409326.db2.gz	CNESYRNHWCYNSE-SNVBAGLBSA-N	-1	3	350.843	1.946	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCO[C@H](C(F)F)CC2)c1	ZINC000870646015	986200196	/nfs/dbraw/zinc/20/01/96/986200196.db2.gz	PQGOAJTXFHSWNT-LBPRGKRZSA-N	-1	3	364.370	1.260	20	10		FDCDHM
CCOc1ccc(CN2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)c(O)c1	ZINC001597101888	986723241	/nfs/dbraw/zinc/72/32/41/986723241.db2.gz	HOYJCYLMXRTGGR-SFHVURJKSA-N	-1	3	350.415	1.152	20	10		FDCDHM
COC(=O)C[C@@H]1CS(=O)(=O)CCN1Cc1c([O-])ccc2ccncc21	ZINC000872677065	987957772	/nfs/dbraw/zinc/95/77/72/987957772.db2.gz	CYWPYGQZRQXJOQ-CYBMUJFWSA-N	-1	3	364.423	1.103	20	10		FDCDHM
CN(C)C(=O)c1c[nH]nc1[C@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1	ZINC000365757914	988053022	/nfs/dbraw/zinc/05/30/22/988053022.db2.gz	LAKOKVFMKMJAOS-NSHDSACASA-N	-1	3	358.398	1.543	20	10		FDCDHM
CN(C)c1ccc([C@H](CNC(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)N(C)C)cc1	ZINC001598313679	991290846	/nfs/dbraw/zinc/29/08/46/991290846.db2.gz	UTCDXPSSEJRBSE-RPWFAHAXSA-N	-1	3	374.485	1.908	20	10		FDCDHM
COc1cc(CN[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])c(O)c(C(C)(C)C)c1	ZINC001599416572	997522938	/nfs/dbraw/zinc/52/29/38/997522938.db2.gz	BNZULRLXACWIOT-QWRGUYRKSA-N	-1	3	352.431	1.766	20	10		FDCDHM
COC(=O)c1cc(S(=O)(=O)[N-]Cc2ccc(OC)cc2O)oc1C	ZINC000795358661	1006341518	/nfs/dbraw/zinc/34/15/18/1006341518.db2.gz	RBLQLCYYZHTVGI-UHFFFAOYSA-N	-1	3	355.368	1.567	20	10		FDCDHM
COC[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccc(C)o1	ZINC000271432028	674343112	/nfs/dbraw/zinc/34/31/12/674343112.db2.gz	TWOQMCJUZWPBKP-CYBMUJFWSA-N	-1	3	368.411	1.783	20	10		FDCDHM
CC(C)[C@H]1C[C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCO1	ZINC000271459200	674344792	/nfs/dbraw/zinc/34/47/92/674344792.db2.gz	XAASSWQLLIPMCT-IAQYHMDHSA-N	-1	3	356.444	1.697	20	10		FDCDHM
CN(C)c1ccc(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cn1	ZINC000055225575	523774149	/nfs/dbraw/zinc/77/41/49/523774149.db2.gz	WCDNLJZRBLMQNS-UHFFFAOYSA-N	-1	3	364.427	1.155	20	10		FDCDHM
CN(C)c1ccc(CNC(=O)c2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)cc1	ZINC000081947102	524201681	/nfs/dbraw/zinc/20/16/81/524201681.db2.gz	YZNRJPAOVACIBU-FQEVSTJZSA-N	-1	3	366.421	1.737	20	10		FDCDHM
CNC(=O)C1(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)CC1	ZINC000134264637	526144115	/nfs/dbraw/zinc/14/41/15/526144115.db2.gz	BRMXDKSTSZIUIT-AWEZNQCLSA-N	-1	3	365.861	1.652	20	10		FDCDHM
C[C@@H](C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)n1cncn1	ZINC000134268152	526144271	/nfs/dbraw/zinc/14/42/71/526144271.db2.gz	FWUJWUHINCJHJR-WFASDCNBSA-N	-1	3	363.849	1.979	20	10		FDCDHM
CC1(C)[C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])[C@@H]2CCO[C@H]21	ZINC000266027148	537184720	/nfs/dbraw/zinc/18/47/20/537184720.db2.gz	VOAIOFWDAJRABY-ZLKJLUDKSA-N	-1	3	354.428	1.307	20	10		FDCDHM
COCCCN(C(=O)c1ccc(C)c(O)c1[O-])[C@H]1CCS(=O)(=O)C1	ZINC000272744771	537325862	/nfs/dbraw/zinc/32/58/62/537325862.db2.gz	IWICXOROHIBCCI-LBPRGKRZSA-N	-1	3	357.428	1.072	20	10		FDCDHM
CC[C@@H](N[C@H](C)c1cc(C(=O)OC)ccc1[O-])C(=O)N1CCOCC1	ZINC000273551277	537468874	/nfs/dbraw/zinc/46/88/74/537468874.db2.gz	GBKKERWJSMXRAK-IUODEOHRSA-N	-1	3	350.415	1.467	20	10		FDCDHM
CCCN(Cc1ccccc1O)C(=O)c1ccc(S(=O)(=O)[N-]C)nc1	ZINC000274697571	537529521	/nfs/dbraw/zinc/52/95/21/537529521.db2.gz	XBAWLWRCBCGUGI-UHFFFAOYSA-N	-1	3	363.439	1.748	20	10		FDCDHM
Cn1ccc(N2CC[C@@H](NCc3cc(Cl)cc([N+](=O)[O-])c3[O-])C2=O)n1	ZINC000360093880	537579213	/nfs/dbraw/zinc/57/92/13/537579213.db2.gz	WFPGEQNMYMARQW-LLVKDONJSA-N	-1	3	365.777	1.582	20	10		FDCDHM
COC(=O)[C@@H]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C[C@H]1C	ZINC000276589048	537590570	/nfs/dbraw/zinc/59/05/70/537590570.db2.gz	KSFSMSPJUYTCPX-ZYHUDNBSSA-N	-1	3	370.427	1.035	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H](c3cc[nH]n3)C2)c1	ZINC000368901992	537992351	/nfs/dbraw/zinc/99/23/51/537992351.db2.gz	QVOBTSOECKQLRL-NSHDSACASA-N	-1	3	364.427	1.507	20	10		FDCDHM
CC[C@@H](C)[C@@H]([N-]S(C)(=O)=O)C(=O)N1CCOc2cc(N(C)C)ccc21	ZINC000570103369	549158712	/nfs/dbraw/zinc/15/87/12/549158712.db2.gz	VEJIDKFGJMHVJF-MLGOLLRUSA-N	-1	3	369.487	1.442	20	10		FDCDHM
S=C(NNc1ccc(-c2nn[n-]n2)cc1)Nc1ccc2c(c1)OCO2	ZINC000738400256	599223252	/nfs/dbraw/zinc/22/32/52/599223252.db2.gz	CEPUSYQDIVEEIA-UHFFFAOYSA-N	-1	3	355.383	1.909	20	10		FDCDHM
O=C(NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)C1=CC(=O)CS1	ZINC000738031294	598720664	/nfs/dbraw/zinc/72/06/64/598720664.db2.gz	DGBZTVNCRMKUFE-UHFFFAOYSA-N	-1	3	371.426	1.428	20	10		FDCDHM
CCOC(=O)COC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C	ZINC000736600323	598735092	/nfs/dbraw/zinc/73/50/92/598735092.db2.gz	UYBHYSFMZOFISU-UHFFFAOYSA-N	-1	3	369.381	1.994	20	10		FDCDHM
Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N(C)Cc1ccccc1O	ZINC000826255395	607626744	/nfs/dbraw/zinc/62/67/44/607626744.db2.gz	WXROXXPLEFBTRK-UHFFFAOYSA-N	-1	3	359.411	1.701	20	10		FDCDHM
Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N(C)Cc1ccccc1O	ZINC000826255395	607626746	/nfs/dbraw/zinc/62/67/46/607626746.db2.gz	WXROXXPLEFBTRK-UHFFFAOYSA-N	-1	3	359.411	1.701	20	10		FDCDHM
CN(C)c1ccc(CNC(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1F	ZINC000821589572	606539288	/nfs/dbraw/zinc/53/92/88/606539288.db2.gz	UEGHCRQJVKJHMD-UHFFFAOYSA-N	-1	3	354.389	1.931	20	10		FDCDHM
CN(C)c1ccc(CNC(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1F	ZINC000821589572	606539290	/nfs/dbraw/zinc/53/92/90/606539290.db2.gz	UEGHCRQJVKJHMD-UHFFFAOYSA-N	-1	3	354.389	1.931	20	10		FDCDHM
CN(C)c1ccc(CNC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1	ZINC000825879682	609186032	/nfs/dbraw/zinc/18/60/32/609186032.db2.gz	NYEPNRUNAPJBEP-INIZCTEOSA-N	-1	3	352.398	1.283	20	10		FDCDHM
CN(C)c1ccc(CNC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1	ZINC000825879682	609186034	/nfs/dbraw/zinc/18/60/34/609186034.db2.gz	NYEPNRUNAPJBEP-INIZCTEOSA-N	-1	3	352.398	1.283	20	10		FDCDHM
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1c[nH]c(-c2nnn[n-]2)c1	ZINC000825966143	609191261	/nfs/dbraw/zinc/19/12/61/609191261.db2.gz	PYIICEMPTIGZAR-UHFFFAOYSA-N	-1	3	367.413	1.304	20	10		FDCDHM
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1c[nH]c(-c2nn[n-]n2)c1	ZINC000825966143	609191263	/nfs/dbraw/zinc/19/12/63/609191263.db2.gz	PYIICEMPTIGZAR-UHFFFAOYSA-N	-1	3	367.413	1.304	20	10		FDCDHM
O=C(NCc1ccc(N2CCSCC2)cc1)c1c[nH]c(-c2nnn[n-]2)c1	ZINC000826441940	609198146	/nfs/dbraw/zinc/19/81/46/609198146.db2.gz	CCAQYPUTVCBHLT-UHFFFAOYSA-N	-1	3	369.454	1.678	20	10		FDCDHM
O=C(NCc1ccc(N2CCSCC2)cc1)c1c[nH]c(-c2nn[n-]n2)c1	ZINC000826441940	609198148	/nfs/dbraw/zinc/19/81/48/609198148.db2.gz	CCAQYPUTVCBHLT-UHFFFAOYSA-N	-1	3	369.454	1.678	20	10		FDCDHM
CCO[C@@H](CCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C(C)C	ZINC000266832723	673200650	/nfs/dbraw/zinc/20/06/50/673200650.db2.gz	ILEBXUICDWISNK-HNNXBMFYSA-N	-1	3	358.460	1.945	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCCC[C@H]2c2cc[nH]n2)c1	ZINC000285957735	675856665	/nfs/dbraw/zinc/85/66/65/675856665.db2.gz	JGHRJQSOQDISTJ-AWEZNQCLSA-N	-1	3	364.427	1.854	20	10		FDCDHM
CSC[C@H]1CCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1	ZINC000294782279	676397240	/nfs/dbraw/zinc/39/72/40/676397240.db2.gz	ZFXGMNSIKUAXTJ-NSHDSACASA-N	-1	3	358.485	1.979	20	10		FDCDHM
COC(=O)[C@@H]1CCCCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000371581820	677731202	/nfs/dbraw/zinc/73/12/02/677731202.db2.gz	SHQJONHPQJIXKM-ZDUSSCGKSA-N	-1	3	370.427	1.322	20	10		FDCDHM
CC(C)OC[C@@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCO1	ZINC000372174203	677860310	/nfs/dbraw/zinc/86/03/10/677860310.db2.gz	WRNBJMQZYQSYCG-ZDUSSCGKSA-N	-1	3	372.443	1.030	20	10		FDCDHM
CCc1nc(CN2CCC[C@H](N(C)C(=O)c3cccc(O)c3[O-])C2)no1	ZINC000375694387	782663796	/nfs/dbraw/zinc/66/37/96/782663796.db2.gz	WXWJUBKLBYNMQH-LBPRGKRZSA-N	-1	3	360.414	1.780	20	10		FDCDHM
COc1ccc(C(=O)N2CCN(C(=O)c3cccc(O)c3[O-])CC2)cc1	ZINC000274913120	770979140	/nfs/dbraw/zinc/97/91/40/770979140.db2.gz	VBKNNFHJCSGDDY-UHFFFAOYSA-N	-1	3	356.378	1.705	20	10		FDCDHM
COC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cccc(O)c1[O-]	ZINC000891351011	775089873	/nfs/dbraw/zinc/08/98/73/775089873.db2.gz	QJVWLSGVXAHUNA-LBPRGKRZSA-N	-1	3	366.414	1.806	20	10		FDCDHM
O=C(NCc1cccc(C(=O)N2CCOCC2)c1)c1cccc(O)c1[O-]	ZINC000280263051	811759069	/nfs/dbraw/zinc/75/90/69/811759069.db2.gz	UGEFQLGKVVHYLH-UHFFFAOYSA-N	-1	3	356.378	1.500	20	10		FDCDHM
CS(=O)(=O)N=S1(=O)CCN(Cc2cc(Cl)ccc2[O-])CC1	ZINC000894824079	818546854	/nfs/dbraw/zinc/54/68/54/818546854.db2.gz	MNXYXKWTMFMPLK-UHFFFAOYSA-N	-1	3	352.865	1.289	20	10		FDCDHM
Cc1cc([O-])c(CN2CCS(=O)(=NS(C)(=O)=O)CC2)c(Cl)c1	ZINC000894829389	818631553	/nfs/dbraw/zinc/63/15/53/818631553.db2.gz	RMFZJZXDNXUOCG-UHFFFAOYSA-N	-1	3	366.892	1.597	20	10		FDCDHM
Cc1cc([O-])c(CN2CCN(S(=O)(=O)c3cc[nH]n3)CC2)cc1Cl	ZINC000894978725	819430310	/nfs/dbraw/zinc/43/03/10/819430310.db2.gz	IQLAKBCKVHRULM-UHFFFAOYSA-N	-1	3	370.862	1.584	20	10		FDCDHM
CN1C(=O)[C@H]2CN(Cc3cc(Br)cc(F)c3[O-])C[C@H]2C1=O	ZINC000895456213	822607801	/nfs/dbraw/zinc/60/78/01/822607801.db2.gz	DTQGPEYUIDXOQU-AOOOYVTPSA-N	-1	3	357.179	1.340	20	10		FDCDHM
O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CCCN1C(=O)c1ccccc1[O-]	ZINC000762260983	875619160	/nfs/dbraw/zinc/61/91/60/875619160.db2.gz	DNUAWPDPJNINMF-HNNXBMFYSA-N	-1	3	370.405	1.767	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCCOCC(F)(F)F)c1	ZINC000919813608	886217012	/nfs/dbraw/zinc/21/70/12/886217012.db2.gz	HGXYVPCFUGWHGU-UHFFFAOYSA-N	-1	3	370.349	1.463	20	10		FDCDHM
O=S(=O)(NCc1c([O-])cccc1F)c1cnn(C2CCOCC2)c1	ZINC000921452693	888017082	/nfs/dbraw/zinc/01/70/82/888017082.db2.gz	WNVLTZLPMHWUBA-UHFFFAOYSA-N	-1	3	355.391	1.558	20	10		FDCDHM
O=C(NCCN1C[C@H]2CCCCN2C1=O)NCc1c([O-])cccc1F	ZINC000923327557	888922633	/nfs/dbraw/zinc/92/26/33/888922633.db2.gz	NOHJZEOYNPWJPG-GFCCVEGCSA-N	-1	3	350.394	1.621	20	10		FDCDHM
O=C(NCCN1C[C@@H]2CCCCN2C1=O)NCc1c([O-])cccc1F	ZINC000923327558	888923223	/nfs/dbraw/zinc/92/32/23/888923223.db2.gz	NOHJZEOYNPWJPG-LBPRGKRZSA-N	-1	3	350.394	1.621	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CCc3c2cccc3O)c1	ZINC000732284724	919362326	/nfs/dbraw/zinc/36/23/26/919362326.db2.gz	AGPJJSSMQPMDRU-AWEZNQCLSA-N	-1	3	362.407	1.887	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCC2Cc3ccccc3C2)c1	ZINC000735326710	924246404	/nfs/dbraw/zinc/24/64/04/924246404.db2.gz	OHHKDNFYZACOBC-UHFFFAOYSA-N	-1	3	360.435	1.909	20	10		FDCDHM
CCOC(=O)[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C(C)(C)C	ZINC000769970953	929776208	/nfs/dbraw/zinc/77/62/08/929776208.db2.gz	KIGWSLAXHVKCMJ-CYBMUJFWSA-N	-1	3	372.443	1.471	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H](CO)c2cccc(F)c2)c1	ZINC000771114306	930465762	/nfs/dbraw/zinc/46/57/62/930465762.db2.gz	BMZASEWYHIEBRL-CQSZACIVSA-N	-1	3	368.386	1.366	20	10		FDCDHM
C[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1c(F)cncc1F	ZINC000804827983	938589243	/nfs/dbraw/zinc/58/92/43/938589243.db2.gz	RYHILXBBHGODSP-QMMMGPOBSA-N	-1	3	371.365	1.928	20	10		FDCDHM
CC(C)n1cnnc1CN(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000816723899	942311365	/nfs/dbraw/zinc/31/13/65/942311365.db2.gz	QUONHGQEEPJUOT-UHFFFAOYSA-N	-1	3	367.431	1.208	20	10		FDCDHM
C[C@]1(C(F)F)CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCO1	ZINC000856499195	971191545	/nfs/dbraw/zinc/19/15/45/971191545.db2.gz	CVJHOXZSDARBIA-CQSZACIVSA-N	-1	3	364.370	1.260	20	10		FDCDHM
CNS(=O)(=O)[C@H]1CCCN(Cc2ccc(Br)cc2[O-])C1	ZINC000824808878	946781089	/nfs/dbraw/zinc/78/10/89/946781089.db2.gz	NOEVZKQEMPSNGU-LBPRGKRZSA-N	-1	3	363.277	1.668	20	10		FDCDHM
O=S(=O)(CCNCc1c([O-])ccc(Cl)c1F)C1CCOCC1	ZINC000824904259	946851283	/nfs/dbraw/zinc/85/12/83/946851283.db2.gz	WOSNXQXYUGXZDL-UHFFFAOYSA-N	-1	3	351.827	1.868	20	10		FDCDHM
Nc1nsc(N2CCN(Cc3ccc(Br)cc3[O-])CC2)n1	ZINC000824920214	946875495	/nfs/dbraw/zinc/87/54/95/946875495.db2.gz	HZRKLPYXETXWMJ-UHFFFAOYSA-N	-1	3	370.276	1.911	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H]2[C@H]2CCCOC2)c1	ZINC000843926217	947476723	/nfs/dbraw/zinc/47/67/23/947476723.db2.gz	JZKYFVQTWVLXFK-SWLSCSKDSA-N	-1	3	368.455	1.795	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N(CC(F)(F)F)C2CC2)c1	ZINC000857509959	971785291	/nfs/dbraw/zinc/78/52/91/971785291.db2.gz	VKUCKXDNBBGNCD-UHFFFAOYSA-N	-1	3	352.334	1.931	20	10		FDCDHM
Cn1ncc2c1CCCN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C2	ZINC000857537297	971793745	/nfs/dbraw/zinc/79/37/45/971793745.db2.gz	LBGXBCCUBCQFCW-UHFFFAOYSA-N	-1	3	364.427	1.086	20	10		FDCDHM
O=C(c1cccc(O)c1[O-])N1C[C@@H]2COC[C@]2(COCc2ccncc2)C1	ZINC001148213474	952647549	/nfs/dbraw/zinc/64/75/49/952647549.db2.gz	BRKSEOIQBAICNB-FOIQADDNSA-N	-1	3	370.405	1.798	20	10		FDCDHM
O=C(c1cccc(O)c1[O-])N1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1	ZINC001148213496	952648297	/nfs/dbraw/zinc/64/82/97/952648297.db2.gz	DEPGSVKGPGBBCG-KUHUBIRLSA-N	-1	3	356.378	1.945	20	10		FDCDHM
O=C(NCC1CC1)[C@@]12CCO[C@@H]1CCN(C(=O)c1cccc(O)c1[O-])C2	ZINC001148214802	952649482	/nfs/dbraw/zinc/64/94/82/952649482.db2.gz	YBRJGSSCCJQHLE-DNVCBOLYSA-N	-1	3	360.410	1.245	20	10		FDCDHM
O=C(NCc1cccc(N2CCOCC2=O)c1)c1cc(O)c([O-])c(O)c1	ZINC001148591260	952761170	/nfs/dbraw/zinc/76/11/70/952761170.db2.gz	WGMSJJXBMQZTPC-UHFFFAOYSA-N	-1	3	358.350	1.097	20	10		FDCDHM
CN1CCN(c2ccc(CCNC(=O)c3c(F)ccc(O)c3[O-])cc2)CC1	ZINC001184482896	963631702	/nfs/dbraw/zinc/63/17/02/963631702.db2.gz	WILDXAKECWPECY-UHFFFAOYSA-N	-1	3	373.428	1.961	20	10		FDCDHM
O=S(=O)([N-]Cc1ccc(N2CCOCC2)cc1)c1cnc(Cl)nc1	ZINC001185058242	963788032	/nfs/dbraw/zinc/78/80/32/963788032.db2.gz	WLWRWCNJIDZFNT-UHFFFAOYSA-N	-1	3	368.846	1.445	20	10		FDCDHM
COc1cccc(CN[C@H]2CCN([C@@H](C(=O)[O-])c3ccccc3)C2=O)c1O	ZINC001604866746	974115981	/nfs/dbraw/zinc/11/59/81/974115981.db2.gz	SEMRIPDCJMLGIQ-DOTOQJQBSA-N	-1	3	370.405	1.917	20	10		FDCDHM
COc1ccc(N2CC[C@@H](C[N-]S(=O)(=O)c3ccc(C)nn3)C2)cc1	ZINC000867427901	975234865	/nfs/dbraw/zinc/23/48/65/975234865.db2.gz	BOVUVRRYDDXDDJ-AWEZNQCLSA-N	-1	3	362.455	1.598	20	10		FDCDHM
COc1ccc(N2CCC([N-]S(=O)(=O)c3ccc(C)nn3)CC2)cc1	ZINC000866708077	975938234	/nfs/dbraw/zinc/93/82/34/975938234.db2.gz	CSJDNNMJFKVHES-UHFFFAOYSA-N	-1	3	362.455	1.741	20	10		FDCDHM
Cn1cc(C(=O)NCC2CCN(C(=O)c3cccc(O)c3[O-])CC2)cn1	ZINC000776344216	976042378	/nfs/dbraw/zinc/04/23/78/976042378.db2.gz	OKUVXIANZKFWTF-UHFFFAOYSA-N	-1	3	358.398	1.114	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N(CCO)C2CCSCC2)c1	ZINC000848022714	976259414	/nfs/dbraw/zinc/25/94/14/976259414.db2.gz	GCAZAJDURQXHMZ-UHFFFAOYSA-N	-1	3	374.484	1.094	20	10		FDCDHM
COc1ccc(CNC(=O)C=Cc2ccc(O)c(O)c2)cc1-c1nnn[n-]1	ZINC000826197053	979618276	/nfs/dbraw/zinc/61/82/76/979618276.db2.gz	XWNAEVFOTLKKJZ-DAXSKMNVSA-N	-1	3	367.365	1.616	20	10		FDCDHM
COc1ccc(CNC(=O)C=Cc2ccc(O)c(O)c2)cc1-c1nn[n-]n1	ZINC000826197053	979618279	/nfs/dbraw/zinc/61/82/79/979618279.db2.gz	XWNAEVFOTLKKJZ-DAXSKMNVSA-N	-1	3	367.365	1.616	20	10		FDCDHM
NC(=O)C1=NO[C@@H](CNCc2cc(Cl)cc(Br)c2[O-])C1	ZINC000883105062	981949306	/nfs/dbraw/zinc/94/93/06/981949306.db2.gz	WUXIGSJQVAXUQR-MRVPVSSYSA-N	-1	3	362.611	1.528	20	10		FDCDHM
C[C@H](NC1CN(S(=O)(=O)N(C)C)C1)c1cccc(C(F)(F)F)c1[O-]	ZINC000858571390	982121901	/nfs/dbraw/zinc/12/19/01/982121901.db2.gz	FJNMYMAQNYSVGV-VIFPVBQESA-N	-1	3	367.393	1.552	20	10		FDCDHM
CNS(=O)(=O)[C@@H]1CCCN(Cc2c([O-])cccc2Br)C1	ZINC000862244402	984279111	/nfs/dbraw/zinc/27/91/11/984279111.db2.gz	ANPMFTZJOAJTOH-SNVBAGLBSA-N	-1	3	363.277	1.668	20	10		FDCDHM
COC(=O)[C@H](NCc1c([O-])cccc1Br)c1ccn(C)n1	ZINC000862338535	984340573	/nfs/dbraw/zinc/34/05/73/984340573.db2.gz	SKLAVUIBNFMTOD-CYBMUJFWSA-N	-1	3	354.204	1.892	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC[C@H]3CC[C@@H](C2)S3)c1	ZINC000862726981	984507591	/nfs/dbraw/zinc/50/75/91/984507591.db2.gz	DJZRGWJIULFHBR-NEPJUHHUSA-N	-1	3	356.469	1.874	20	10		FDCDHM
C[C@@H]1CN(Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])C[C@H](C)N1CCO	ZINC001599928286	985251083	/nfs/dbraw/zinc/25/10/83/985251083.db2.gz	BJWINIGXWKLFLI-BETUJISGSA-N	-1	3	363.433	1.903	20	10		FDCDHM
CC(=O)c1cc(F)cc(CN2CCN(c3nc(C)cc(=O)[nH]3)CC2)c1[O-]	ZINC000886655460	986460115	/nfs/dbraw/zinc/46/01/15/986460115.db2.gz	QOECYNMJWHOYEZ-UHFFFAOYSA-N	-1	3	360.389	1.860	20	10		FDCDHM
CCS(=O)(=O)C[C@@H](C)NCc1c2cc(F)ccc2n(C)c1C(=O)[O-]	ZINC001597209757	987125882	/nfs/dbraw/zinc/12/58/82/987125882.db2.gz	IVMPDZGSVXQLMV-SNVBAGLBSA-N	-1	3	356.419	1.928	20	10		FDCDHM
CNC(=O)CN1CCc2ccc(NC(=O)c3ccc(C)c(O)c3[O-])cc21	ZINC000368091216	988977717	/nfs/dbraw/zinc/97/77/17/988977717.db2.gz	HNMOEYWEKPRUSD-UHFFFAOYSA-N	-1	3	355.394	1.767	20	10		FDCDHM
C[C@@H](C(=O)NC(C)(C)C)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000777396584	999059381	/nfs/dbraw/zinc/05/93/81/999059381.db2.gz	CYUSKQSCAWMOEW-JTQLQIEISA-N	-1	3	371.459	1.139	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCC[C@H]3OCC[C@H]32)c1	ZINC000271234102	674326188	/nfs/dbraw/zinc/32/61/88/674326188.db2.gz	DTXCACJNZGJWOZ-NJZAAPMLSA-N	-1	3	354.428	1.451	20	10		FDCDHM
CCCN(Cc1ccccc1[O-])[C@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1	ZINC000076073951	523017684	/nfs/dbraw/zinc/01/76/84/523017684.db2.gz	MJKNRKIVGDYUKP-GDBMZVCRSA-N	-1	3	368.499	1.638	20	10		FDCDHM
CCc1nc(CN2CCN(Cc3cc(F)cc(C(C)=O)c3[O-])CC2)no1	ZINC000079464576	523753274	/nfs/dbraw/zinc/75/32/74/523753274.db2.gz	GBCLMVHUSDYMSC-UHFFFAOYSA-N	-1	3	362.405	1.997	20	10		FDCDHM
O=C(NC1CC1)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1	ZINC000115632158	525034656	/nfs/dbraw/zinc/03/46/56/525034656.db2.gz	FKJMVKLOKAIVGA-AWEZNQCLSA-N	-1	3	351.834	1.405	20	10		FDCDHM
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C1CC2(C1)NC(=O)[N-]C2=O	ZINC000154622831	525591676	/nfs/dbraw/zinc/59/16/76/525591676.db2.gz	WMHPQXCJKNSHHW-UHFFFAOYSA-N	-1	3	370.453	1.624	20	10		FDCDHM
COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)CCc1cnn(C)c1	ZINC000181590774	525878346	/nfs/dbraw/zinc/87/83/46/525878346.db2.gz	GUBGLVRAUUEQJN-UHFFFAOYSA-N	-1	3	365.817	1.914	20	10		FDCDHM
CC(=O)c1cc(F)cc(CN2CC[C@H](S(=O)(=O)NC3CC3)C2)c1[O-]	ZINC000120361599	526039135	/nfs/dbraw/zinc/03/91/35/526039135.db2.gz	BLCDNTKSEGUALL-AWEZNQCLSA-N	-1	3	356.419	1.390	20	10		FDCDHM
CCN(Cc1cc(Br)ccc1[O-])C(=O)Cn1ncn(C)c1=O	ZINC000182409603	526165098	/nfs/dbraw/zinc/16/50/98/526165098.db2.gz	AKVXIULLPZGESC-UHFFFAOYSA-N	-1	3	369.219	1.099	20	10		FDCDHM
Cn1ccnc1[C@@](O)(CCNC(=O)c1cccc(O)c1[O-])C(F)(F)F	ZINC000187001682	536252015	/nfs/dbraw/zinc/25/20/15/536252015.db2.gz	IPRICHAUOQORQU-AWEZNQCLSA-N	-1	3	359.304	1.401	20	10		FDCDHM
COC(=O)[C@@H]1CCN(Cc2cc(F)cc(C(C)=O)c2[O-])[C@H](C(=O)OC)C1	ZINC000272619708	537304874	/nfs/dbraw/zinc/30/48/74/537304874.db2.gz	UONVXSANEZTXFO-ABAIWWIYSA-N	-1	3	367.373	1.661	20	10		FDCDHM
COCCn1cc(N2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)cn1	ZINC000285843530	537332690	/nfs/dbraw/zinc/33/26/90/537332690.db2.gz	DCZCVQTXDRFPTF-UHFFFAOYSA-N	-1	3	364.789	1.857	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H]2[C@H]2CCCO2)c1	ZINC000285863423	537348751	/nfs/dbraw/zinc/34/87/51/537348751.db2.gz	QEXXAUDWLLKQTO-DZGCQCFKSA-N	-1	3	354.428	1.547	20	10		FDCDHM
C[C@@]1(C[C@H]2CCCN2C(=O)C=Cc2ccc(O)c(O)c2)NC(=O)[N-]C1=O	ZINC000287910235	537448394	/nfs/dbraw/zinc/44/83/94/537448394.db2.gz	POVCBDCQZPMBSE-BHIVLHFISA-N	-1	3	359.382	1.090	20	10		FDCDHM
O=S1(=O)CC[C@H](NC2CCN(Cc3cccc(Cl)c3[O-])CC2)C1	ZINC000365234269	537457305	/nfs/dbraw/zinc/45/73/05/537457305.db2.gz	NFBWKSXWSPNCRR-AWEZNQCLSA-N	-1	3	358.891	1.787	20	10		FDCDHM
CC1(C)CN(C(=O)Cn2cc(NCc3cc(F)ccc3[O-])cn2)CCO1	ZINC000365397196	537507223	/nfs/dbraw/zinc/50/72/23/537507223.db2.gz	VIRZTEIJOHQQRN-UHFFFAOYSA-N	-1	3	362.405	1.977	20	10		FDCDHM
COc1cc(Cl)cc(CN2CCC[C@@H](n3cc(CO)nn3)C2)c1[O-]	ZINC000293757313	537583374	/nfs/dbraw/zinc/58/33/74/537583374.db2.gz	XKSYVLCVPKWALT-CQSZACIVSA-N	-1	3	352.822	1.975	20	10		FDCDHM
CO[C@@H]1[C@@H](C)[C@@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1(C)C	ZINC000271994430	674403562	/nfs/dbraw/zinc/40/35/62/674403562.db2.gz	QMAORSVELJLJDR-CUOATXAZSA-N	-1	3	356.444	1.553	20	10		FDCDHM
COC1CN(C(=O)c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)C1	ZINC000736966579	598910193	/nfs/dbraw/zinc/91/01/93/598910193.db2.gz	VMFVOGYUSPPDAQ-UHFFFAOYSA-N	-1	3	352.398	1.745	20	10		FDCDHM
O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc(-c2nnn[n-]2)cn1	ZINC000738103920	598460648	/nfs/dbraw/zinc/46/06/48/598460648.db2.gz	QJZQFFUJYIPTHE-UHFFFAOYSA-N	-1	3	365.397	1.028	20	10		FDCDHM
O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc(-c2nn[n-]n2)cn1	ZINC000738103920	598460650	/nfs/dbraw/zinc/46/06/50/598460650.db2.gz	QJZQFFUJYIPTHE-UHFFFAOYSA-N	-1	3	365.397	1.028	20	10		FDCDHM
CCNC(=O)COC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C	ZINC000736576500	598621723	/nfs/dbraw/zinc/62/17/23/598621723.db2.gz	VUCHZLLECFYILX-UHFFFAOYSA-N	-1	3	368.397	1.567	20	10		FDCDHM
Cc1cc(C(=O)O[C@@H](C)C(N)=O)c(C)n1-c1ccc(-c2nn[n-]n2)cc1	ZINC000737238730	598621827	/nfs/dbraw/zinc/62/18/27/598621827.db2.gz	RFXNWEMRQSMYGH-NSHDSACASA-N	-1	3	354.370	1.305	20	10		FDCDHM
CCOC(=O)c1cnn2c1[nH]c(CN1CCC3(C[C@@H]3C(=O)[O-])CC1)cc2=O	ZINC000737154820	600299736	/nfs/dbraw/zinc/29/97/36/600299736.db2.gz	LHFLACQPEQONCK-CYBMUJFWSA-N	-1	3	374.397	1.298	20	10		FDCDHM
COCC[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccco1	ZINC000272875484	674483736	/nfs/dbraw/zinc/48/37/36/674483736.db2.gz	XQOUQJXMWLZRAB-ZDUSSCGKSA-N	-1	3	368.411	1.864	20	10		FDCDHM
C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1ccc(N2CCOCC2)cc1	ZINC000824516474	607707967	/nfs/dbraw/zinc/70/79/67/607707967.db2.gz	XKRAEHNXLKXKBV-LBPRGKRZSA-N	-1	3	367.413	1.522	20	10		FDCDHM
C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccc(N2CCOCC2)cc1	ZINC000824516474	607707969	/nfs/dbraw/zinc/70/79/69/607707969.db2.gz	XKRAEHNXLKXKBV-LBPRGKRZSA-N	-1	3	367.413	1.522	20	10		FDCDHM
COc1ccc(N2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)cc1F	ZINC000826209672	607749484	/nfs/dbraw/zinc/74/94/84/607749484.db2.gz	LORWFTOUPJDZPD-UHFFFAOYSA-N	-1	3	371.376	1.305	20	10		FDCDHM
COc1ccc(N2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)cc1F	ZINC000826209672	607749485	/nfs/dbraw/zinc/74/94/85/607749485.db2.gz	LORWFTOUPJDZPD-UHFFFAOYSA-N	-1	3	371.376	1.305	20	10		FDCDHM
Cc1cc(C(=O)NCC2(CO)CC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1	ZINC000822176229	606824030	/nfs/dbraw/zinc/82/40/30/606824030.db2.gz	HNQFXCZAZCJGIW-UHFFFAOYSA-N	-1	3	366.425	1.777	20	10		FDCDHM
CN(CC(=O)Nc1sccc1-c1nnn[n-]1)c1ccc2c(c1)OCO2	ZINC000825897918	607927478	/nfs/dbraw/zinc/92/74/78/607927478.db2.gz	QREUPWLMFHMUTO-UHFFFAOYSA-N	-1	3	358.383	1.732	20	10		FDCDHM
CN(CC(=O)Nc1sccc1-c1nn[n-]n1)c1ccc2c(c1)OCO2	ZINC000825897918	607927479	/nfs/dbraw/zinc/92/74/79/607927479.db2.gz	QREUPWLMFHMUTO-UHFFFAOYSA-N	-1	3	358.383	1.732	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2cccc(-c3nn[nH]n3)c2)c1	ZINC000826224109	608753923	/nfs/dbraw/zinc/75/39/23/608753923.db2.gz	ORPPANBFNIHVIU-UHFFFAOYSA-N	-1	3	374.382	1.196	20	10		FDCDHM
CN(C)c1ccc(CNC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1F	ZINC000825880064	609216639	/nfs/dbraw/zinc/21/66/39/609216639.db2.gz	WPXHEIFOKOSXJZ-INIZCTEOSA-N	-1	3	370.388	1.422	20	10		FDCDHM
CN(C)c1ccc(CNC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1F	ZINC000825880064	609216641	/nfs/dbraw/zinc/21/66/41/609216641.db2.gz	WPXHEIFOKOSXJZ-INIZCTEOSA-N	-1	3	370.388	1.422	20	10		FDCDHM
C[C@@H](C(=O)NCc1cccc(Br)c1[O-])N1CCN(C)CC1	ZINC000277415621	674938209	/nfs/dbraw/zinc/93/82/09/674938209.db2.gz	CNTUIZWYQYEDCW-NSHDSACASA-N	-1	3	356.264	1.407	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCc2cn3ccccc3n2)c1	ZINC000055158732	671228497	/nfs/dbraw/zinc/22/84/97/671228497.db2.gz	DHJMQDVGRGZWAI-UHFFFAOYSA-N	-1	3	360.395	1.341	20	10		FDCDHM
CC(C)C[C@@H](CCO)CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000267264529	673279105	/nfs/dbraw/zinc/27/91/05/673279105.db2.gz	ULSUOFFAASPRTA-GFCCVEGCSA-N	-1	3	358.460	1.538	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCCc3occc3C2)c1	ZINC000290537478	676212579	/nfs/dbraw/zinc/21/25/79/676212579.db2.gz	HBJHZSWSIKLVJO-UHFFFAOYSA-N	-1	3	350.396	1.945	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2C[C@@]3(CCCO3)[C@@H]2C2CC2)c1	ZINC000294719749	676396444	/nfs/dbraw/zinc/39/64/44/676396444.db2.gz	HFZFAXGYYKEGGE-RDJZCZTQSA-N	-1	3	366.439	1.547	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCCOC[C@@H]2CCCO2)c1	ZINC000299076069	676515443	/nfs/dbraw/zinc/51/54/43/676515443.db2.gz	HUDNODWPVOYGNF-ZDUSSCGKSA-N	-1	3	372.443	1.079	20	10		FDCDHM
CC(=O)N1CCN(c2ccc(CNC(=O)c3cccc(O)c3[O-])cc2)CC1	ZINC000276136149	775941738	/nfs/dbraw/zinc/94/17/38/775941738.db2.gz	DIEDGOJHTPDOTG-UHFFFAOYSA-N	-1	3	369.421	1.696	20	10		FDCDHM
Cc1cccc2[nH]c(CNC(=O)c3cc(NS(C)(=O)=O)ccc3[O-])nc21	ZINC000766239586	925315814	/nfs/dbraw/zinc/31/58/14/925315814.db2.gz	MUANLFATAZPVAB-UHFFFAOYSA-N	-1	3	374.422	1.878	20	10		FDCDHM
COC(=O)[C@@H](O)C1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1	ZINC000770330921	929953388	/nfs/dbraw/zinc/95/33/88/929953388.db2.gz	CUNIDAYRDHHZNU-AWEZNQCLSA-N	-1	3	358.778	1.700	20	10		FDCDHM
CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(C)c(O)c1[O-]	ZINC000770481987	930070186	/nfs/dbraw/zinc/07/01/86/930070186.db2.gz	YTZUUWAEKUXFBB-UHFFFAOYSA-N	-1	3	362.407	1.517	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@]3(CCCOC3)C2)c1	ZINC000746896251	933475072	/nfs/dbraw/zinc/47/50/72/933475072.db2.gz	NUCQESSXCXVUQJ-QGZVFWFLSA-N	-1	3	368.455	1.797	20	10		FDCDHM
CC(C)NS(=O)(=O)c1cccc(CNC(=O)c2cccc(O)c2[O-])c1	ZINC000790527594	933592134	/nfs/dbraw/zinc/59/21/34/933592134.db2.gz	JCOALLGQOQVXMB-UHFFFAOYSA-N	-1	3	364.423	1.715	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC(c3ccon3)CC2)c1	ZINC000856173701	970958280	/nfs/dbraw/zinc/95/82/80/970958280.db2.gz	OTEQBXMETIYAKQ-UHFFFAOYSA-N	-1	3	365.411	1.772	20	10		FDCDHM
COCCOCCOCCS(=O)(=O)Nc1ccc([O-])c(Cl)c1	ZINC000821190689	944363635	/nfs/dbraw/zinc/36/36/35/944363635.db2.gz	FMRCZFDGKPHRFX-UHFFFAOYSA-N	-1	3	353.824	1.467	20	10		FDCDHM
CCN1C(=O)[C@@H]2CN(Cc3ccc(Br)cc3[O-])CCN2C1=O	ZINC000824920201	946876022	/nfs/dbraw/zinc/87/60/22/946876022.db2.gz	HIWZSOFVOQUGQQ-LBPRGKRZSA-N	-1	3	368.231	1.623	20	10		FDCDHM
COC(=O)CN(Cc1nnn(C(C)(C)C)n1)Cc1cc(Cl)ccc1[O-]	ZINC000846825910	951601158	/nfs/dbraw/zinc/60/11/58/951601158.db2.gz	WXTDGIXJBSNGEJ-UHFFFAOYSA-N	-1	3	367.837	1.962	20	10		FDCDHM
CCOC(=O)c1cc2n(n1)CCCN(C(=O)c1cc(O)c([O-])c(O)c1)C2	ZINC001148581797	952757256	/nfs/dbraw/zinc/75/72/56/952757256.db2.gz	AWJYHZIZYQLJIY-UHFFFAOYSA-N	-1	3	361.354	1.223	20	10		FDCDHM
CS(=O)(=O)N1CC(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])C1	ZINC001183025705	962773534	/nfs/dbraw/zinc/77/35/34/962773534.db2.gz	SGDCESFULNRYGF-UHFFFAOYSA-N	-1	3	369.830	1.101	20	10		FDCDHM
O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)NCc1c([O-])cccc1F	ZINC001178413696	964229264	/nfs/dbraw/zinc/22/92/64/964229264.db2.gz	WPQMUHGGSVADPJ-UHFFFAOYSA-N	-1	3	357.341	1.653	20	10		FDCDHM
O=C(C=Cc1ccc(O)c(O)c1)NCc1cc(-c2nn[n-]n2)ccc1F	ZINC000826401012	983074355	/nfs/dbraw/zinc/07/43/55/983074355.db2.gz	NCUPFYUOSYQTEU-KXFIGUGUSA-N	-1	3	355.329	1.747	20	10		FDCDHM
CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)c1cccc(O)c1[O-])CCO2	ZINC000294133849	988315585	/nfs/dbraw/zinc/31/55/85/988315585.db2.gz	LAMOKSBAUMIITC-UHFFFAOYSA-N	-1	3	364.398	1.560	20	10		FDCDHM
C[C@H](C(=O)NC(C)(C)C)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000777396798	999059121	/nfs/dbraw/zinc/05/91/21/999059121.db2.gz	CYUSKQSCAWMOEW-SNVBAGLBSA-N	-1	3	371.459	1.139	20	10		FDCDHM
CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)NCc2c([O-])cccc2F)C1	ZINC000928704552	1001631796	/nfs/dbraw/zinc/63/17/96/1001631796.db2.gz	BSKSGBWJWSTFEQ-CQSZACIVSA-N	-1	3	354.378	1.783	20	10		FDCDHM
Cc1ccc(C(=O)Nc2ccnn2[C@@H]2CCS(=O)(=O)C2)c([O-])c1O	ZINC000271266691	674329799	/nfs/dbraw/zinc/32/97/99/674329799.db2.gz	KXBPKZUMJVCPNT-SNVBAGLBSA-N	-1	3	351.384	1.215	20	10		FDCDHM
COC(=O)CCN(CC(C)C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000271309761	674333324	/nfs/dbraw/zinc/33/33/24/674333324.db2.gz	WKAZHVXYARHJDX-UHFFFAOYSA-N	-1	3	372.443	1.425	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H](CCO)C2CCCCC2)c1	ZINC000271533188	674351597	/nfs/dbraw/zinc/35/15/97/674351597.db2.gz	XXLWXUSPTADRAM-HNNXBMFYSA-N	-1	3	370.471	1.825	20	10		FDCDHM
CC(C)(C)OC(=O)NCCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000063701491	522627956	/nfs/dbraw/zinc/62/79/56/522627956.db2.gz	OATLFZKRYWQONO-UHFFFAOYSA-N	-1	3	373.431	1.018	20	10		FDCDHM
C[C@H](C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)S(C)(=O)=O	ZINC000158022451	524387531	/nfs/dbraw/zinc/38/75/31/524387531.db2.gz	ASQIMBAOEPSWSR-BXUZGUMPSA-N	-1	3	374.890	1.559	20	10		FDCDHM
CNC(=O)C1(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)CC1	ZINC000134264613	526143155	/nfs/dbraw/zinc/14/31/55/526143155.db2.gz	BRMXDKSTSZIUIT-CQSZACIVSA-N	-1	3	365.861	1.652	20	10		FDCDHM
Cc1noc(C)c1C[C@@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000265779472	537172527	/nfs/dbraw/zinc/17/25/27/537172527.db2.gz	IYMLATNAIWDVSN-SECBINFHSA-N	-1	3	367.427	1.730	20	10		FDCDHM
CN(C)c1ccc(CN(C(=O)C2CC3(C2)NC(=O)[N-]C3=O)C2CC2)cc1	ZINC000363709699	537292255	/nfs/dbraw/zinc/29/22/55/537292255.db2.gz	MSIMIZSUONWQGK-UHFFFAOYSA-N	-1	3	356.426	1.232	20	10		FDCDHM
CSCC[C@H](NC(=O)[O-])C(=O)C(=O)C1CC(=O)Nc2cc(F)ccc21	ZINC000371375968	537827709	/nfs/dbraw/zinc/82/77/09/537827709.db2.gz	WQXBVXNDSNOWLP-QWRGUYRKSA-N	-1	3	368.386	1.779	20	10		FDCDHM
O=C(c1cccc(O)c1[O-])N1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21	ZINC000377122453	537956396	/nfs/dbraw/zinc/95/63/96/537956396.db2.gz	GDUOUBVPXLRGAO-CHWSQXEVSA-N	-1	3	368.389	1.747	20	10		FDCDHM
COc1ccc(O)c([C@H](C)NC(=O)CNc2ccc(-c3nn[n-]n3)cc2)c1	ZINC000737106272	598779405	/nfs/dbraw/zinc/77/94/05/598779405.db2.gz	QNROZADFVOOWMX-NSHDSACASA-N	-1	3	368.397	1.870	20	10		FDCDHM
Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N(C)Cc1ccccc1O	ZINC000826279373	607627847	/nfs/dbraw/zinc/62/78/47/607627847.db2.gz	OGNBXJGEEOOEAP-UHFFFAOYSA-N	-1	3	359.411	1.701	20	10		FDCDHM
Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N(C)Cc1ccccc1O	ZINC000826279373	607627849	/nfs/dbraw/zinc/62/78/49/607627849.db2.gz	OGNBXJGEEOOEAP-UHFFFAOYSA-N	-1	3	359.411	1.701	20	10		FDCDHM
COC(=O)[C@H](NCc1ccc2c(c1)CCO2)c1cccc(-c2nnn[n-]2)c1	ZINC000821644610	606305381	/nfs/dbraw/zinc/30/53/81/606305381.db2.gz	DPWLKDHKQJXMND-QGZVFWFLSA-N	-1	3	365.393	1.806	20	10		FDCDHM
COC(=O)[C@H](NCc1ccc2c(c1)CCO2)c1cccc(-c2nn[n-]n2)c1	ZINC000821644610	606305383	/nfs/dbraw/zinc/30/53/83/606305383.db2.gz	DPWLKDHKQJXMND-QGZVFWFLSA-N	-1	3	365.393	1.806	20	10		FDCDHM
CN(C)c1ccc2c(c1)OCCN2C(=O)Cc1cccc(-c2nnn[n-]2)c1	ZINC000821589177	606579760	/nfs/dbraw/zinc/57/97/60/606579760.db2.gz	AKCLPJXQTLXTOD-UHFFFAOYSA-N	-1	3	364.409	1.901	20	10		FDCDHM
CN(C)c1ccc2c(c1)OCCN2C(=O)Cc1cccc(-c2nn[n-]n2)c1	ZINC000821589177	606579761	/nfs/dbraw/zinc/57/97/61/606579761.db2.gz	AKCLPJXQTLXTOD-UHFFFAOYSA-N	-1	3	364.409	1.901	20	10		FDCDHM
Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NCCc1ccc(O)c(O)c1	ZINC000822220367	606660668	/nfs/dbraw/zinc/66/06/68/606660668.db2.gz	NVIOLOJKGQNLQB-UHFFFAOYSA-N	-1	3	354.370	1.951	20	10		FDCDHM
Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NCCc1ccc(O)c(O)c1	ZINC000822220367	606660669	/nfs/dbraw/zinc/66/06/69/606660669.db2.gz	NVIOLOJKGQNLQB-UHFFFAOYSA-N	-1	3	354.370	1.951	20	10		FDCDHM
COc1ccc(N2CCN(C(=O)Cn3ccc(-c4nnn[n-]4)c3)CC2)cc1	ZINC000826209765	607891492	/nfs/dbraw/zinc/89/14/92/607891492.db2.gz	PMHJOXNRNFTRGD-UHFFFAOYSA-N	-1	3	367.413	1.026	20	10		FDCDHM
COc1ccc(N2CCN(C(=O)Cn3ccc(-c4nn[n-]n4)c3)CC2)cc1	ZINC000826209765	607891493	/nfs/dbraw/zinc/89/14/93/607891493.db2.gz	PMHJOXNRNFTRGD-UHFFFAOYSA-N	-1	3	367.413	1.026	20	10		FDCDHM
C[C@@H](CN1CCOCC1)C(=O)NCc1cccc(Br)c1[O-]	ZINC000277467867	674949552	/nfs/dbraw/zinc/94/95/52/674949552.db2.gz	HNXZQGGFBPBHGW-NSHDSACASA-N	-1	3	357.248	1.739	20	10		FDCDHM
CC(=O)c1cc(F)cc(CN2CCN(S(=O)(=O)NC(C)C)CC2)c1[O-]	ZINC000284321305	675691462	/nfs/dbraw/zinc/69/14/62/675691462.db2.gz	PSANZWDQXBHJDP-UHFFFAOYSA-N	-1	3	373.450	1.094	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCCO[C@@H]3CCC[C@@H]32)c1	ZINC000362337132	676915690	/nfs/dbraw/zinc/91/56/90/676915690.db2.gz	SUBDEDHSDTXQJE-DZGCQCFKSA-N	-1	3	354.428	1.547	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H](n3cccn3)C2)c1	ZINC000365112530	677350306	/nfs/dbraw/zinc/35/03/06/677350306.db2.gz	HPGZCPZXUSOVSK-ZDUSSCGKSA-N	-1	3	364.427	1.438	20	10		FDCDHM
CS(=O)(=O)c1ccc2c(c1)CCN(C(=O)c1cccc(O)c1[O-])CC2	ZINC000367247554	677490889	/nfs/dbraw/zinc/49/08/89/677490889.db2.gz	WPEOVCUVWMNWFL-UHFFFAOYSA-N	-1	3	361.419	1.742	20	10		FDCDHM
CN(C)c1ccc(CNC(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)cc1	ZINC000891608947	778527879	/nfs/dbraw/zinc/52/78/79/778527879.db2.gz	YTKAXYUTJATTCM-AWEZNQCLSA-N	-1	3	356.430	1.326	20	10		FDCDHM
O=C(c1cccc(O)c1[O-])N1CCC2(CC1)NC(=O)C1(CCCCC1)N2	ZINC000363994687	794882116	/nfs/dbraw/zinc/88/21/16/794882116.db2.gz	OFBRLCDPRDLXQH-UHFFFAOYSA-N	-1	3	359.426	1.452	20	10		FDCDHM
COc1ccc(CN2CC[C@H](NC(=O)c3cccc(O)c3[O-])C2=O)cc1	ZINC000279290051	808711739	/nfs/dbraw/zinc/71/17/39/808711739.db2.gz	MFHVSQXNGZYFAC-HNNXBMFYSA-N	-1	3	356.378	1.637	20	10		FDCDHM
O=C1NC(=O)C2(CCN(Cc3cc(Br)cc(F)c3[O-])CC2)N1	ZINC000894421351	818037888	/nfs/dbraw/zinc/03/78/88/818037888.db2.gz	DNJCFKNJEIOQGE-UHFFFAOYSA-N	-1	3	372.194	1.468	20	10		FDCDHM
CO[C@H]1CS(=O)(=O)C[C@@H]1NCc1cccc(Br)c1[O-]	ZINC000697291293	832023496	/nfs/dbraw/zinc/02/34/96/832023496.db2.gz	XDKSPRUWOMKVGA-QWRGUYRKSA-N	-1	3	350.234	1.056	20	10		FDCDHM
CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])N(C)C)cc1	ZINC000899853985	846786158	/nfs/dbraw/zinc/78/61/58/846786158.db2.gz	DJXOSCJUJQDARQ-CGHHPOIWSA-N	-1	3	371.481	1.994	20	10		FDCDHM
C[C@H]1C(=O)N(C)CCN1Cc1ccc(I)cc1[O-]	ZINC001232980351	867235668	/nfs/dbraw/zinc/23/56/68/867235668.db2.gz	QMZMPMAVNNEZNK-VIFPVBQESA-N	-1	3	360.195	1.659	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC[C@@H]2CC2(Cl)Cl)c1	ZINC000919811918	886215806	/nfs/dbraw/zinc/21/58/06/886215806.db2.gz	NZTAXEUYCFATQF-ZETCQYMHSA-N	-1	3	353.227	1.687	20	10		FDCDHM
CS(=O)(=O)N[C@H]1CCCN(Cc2c([O-])cccc2Br)C1	ZINC000707127974	886768181	/nfs/dbraw/zinc/76/81/81/886768181.db2.gz	PLZTXVZTHVIOFT-JTQLQIEISA-N	-1	3	363.277	1.668	20	10		FDCDHM
CON(C)C(=O)[C@H](CCSC)NC(=O)NCc1c([O-])cccc1F	ZINC000921515213	907279174	/nfs/dbraw/zinc/27/91/74/907279174.db2.gz	AWCCHTCQINRQEB-LBPRGKRZSA-N	-1	3	359.423	1.472	20	10		FDCDHM
O=C(NCc1c([O-])cccc1F)N[C@H]1CCCN(CC(F)(F)F)C1=O	ZINC000921570199	908436711	/nfs/dbraw/zinc/43/67/11/908436711.db2.gz	YORBMMXRNIDLBX-NSHDSACASA-N	-1	3	363.311	1.884	20	10		FDCDHM
COC(=O)CN(CC(=O)Nc1cc(C)no1)Cc1cc(Cl)ccc1[O-]	ZINC000731845448	918668996	/nfs/dbraw/zinc/66/89/96/918668996.db2.gz	YKHNLBJLVZCLTB-UHFFFAOYSA-N	-1	3	367.789	1.956	20	10		FDCDHM
CCCCC[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C(=O)OC	ZINC000769959763	929755622	/nfs/dbraw/zinc/75/56/22/929755622.db2.gz	RDKCBLIAPJRVNY-CYBMUJFWSA-N	-1	3	372.443	1.615	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H]3COCC[C@H]32)c1	ZINC000769977946	929780545	/nfs/dbraw/zinc/78/05/45/929780545.db2.gz	GFVBFACLWWKXBT-SMDDNHRTSA-N	-1	3	354.428	1.405	20	10		FDCDHM
CCCn1ccc(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1	ZINC000788170584	932594812	/nfs/dbraw/zinc/59/48/12/932594812.db2.gz	JHRFGHZPKGUDQQ-UHFFFAOYSA-N	-1	3	351.428	1.905	20	10		FDCDHM
COC(=O)CN(CCN1CCOCC1)Cc1cc(Cl)c(C)cc1[O-]	ZINC000824779339	946750739	/nfs/dbraw/zinc/75/07/39/946750739.db2.gz	WEBPMMSITKHJMA-UHFFFAOYSA-N	-1	3	356.850	1.661	20	10		FDCDHM
CC(C)(C(N)=O)N1CCN(Cc2ccc(Br)cc2[O-])CC1	ZINC000824877715	946862214	/nfs/dbraw/zinc/86/22/14/946862214.db2.gz	WTMDGZBLWVXHJJ-UHFFFAOYSA-N	-1	3	356.264	1.536	20	10		FDCDHM
CC[C@H](C)C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C(=O)OC	ZINC000843940775	947522435	/nfs/dbraw/zinc/52/24/35/947522435.db2.gz	WJQWLQBDQNYQFX-GXFFZTMASA-N	-1	3	372.443	1.471	20	10		FDCDHM
CCOc1ccc(C[NH+]2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)c([O-])c1	ZINC000844933220	948515437	/nfs/dbraw/zinc/51/54/37/948515437.db2.gz	DFLSDKLNTQAQCP-CQSZACIVSA-N	-1	3	362.426	1.688	20	10		FDCDHM
COCCOCCN1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CC1	ZINC000846117464	950515255	/nfs/dbraw/zinc/51/52/55/950515255.db2.gz	QIAIVAFXOMYLAO-UHFFFAOYSA-N	-1	3	369.418	1.090	20	10		FDCDHM
C[S@](=O)[C@@H]1CCC[C@@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1	ZINC000857310289	971712541	/nfs/dbraw/zinc/71/25/41/971712541.db2.gz	WMGDYVVHNUTNRC-HIBRMCEJSA-N	-1	3	374.484	1.183	20	10		FDCDHM
O=C(c1cccc(O)c1[O-])N1CCO[C@]2(CCCN(c3cnccn3)C2)C1	ZINC001148213840	952648441	/nfs/dbraw/zinc/64/84/41/952648441.db2.gz	KNQJNEJUPZCVAE-IBGZPJMESA-N	-1	3	370.409	1.399	20	10		FDCDHM
O=C(NCc1cccnc1)[C@H]1C[C@]12CCN(C(=O)c1cccc(O)c1[O-])C2	ZINC001148214459	952648865	/nfs/dbraw/zinc/64/88/65/952648865.db2.gz	SOKWRZRWXXPOEH-QRWLVFNGSA-N	-1	3	367.405	1.661	20	10		FDCDHM
CC(C)n1nc(CN(C)C)c2c1CN(C(=O)c1cc(O)c([O-])c(O)c1)CC2	ZINC001148583351	952757696	/nfs/dbraw/zinc/75/76/96/952757696.db2.gz	ZOCLDTIECHGLPI-UHFFFAOYSA-N	-1	3	374.441	1.841	20	10		FDCDHM
C[C@H]1CN(C(=O)c2cc(O)c([O-])c(O)c2)Cc2nnc(C(F)(F)F)n21	ZINC001148588077	952759750	/nfs/dbraw/zinc/75/97/50/952759750.db2.gz	NOPKZARMEJCOFU-LURJTMIESA-N	-1	3	358.276	1.631	20	10		FDCDHM
CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCc1c([O-])cccc1F	ZINC001178412869	964227914	/nfs/dbraw/zinc/22/79/14/964227914.db2.gz	IQYXLYLCZZHGQD-LBPRGKRZSA-N	-1	3	365.365	1.988	20	10		FDCDHM
COC(=O)CCS(=O)(=O)NCc1cc(Cl)c2cccnc2c1[O-]	ZINC001188403477	966296654	/nfs/dbraw/zinc/29/66/54/966296654.db2.gz	WKRMLPJCDNQPKW-UHFFFAOYSA-N	-1	3	358.803	1.576	20	10		FDCDHM
CC(C)(C)OC(=O)C(C)(C)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000863376015	972857975	/nfs/dbraw/zinc/85/79/75/972857975.db2.gz	MBCNEKNCGPKKIC-UHFFFAOYSA-N	-1	3	372.443	1.614	20	10		FDCDHM
CS(C)(=O)=NS(=O)(=O)[N-]Cc1ccc(N2CCSCC2)cc1	ZINC000866530419	975760607	/nfs/dbraw/zinc/76/06/07/975760607.db2.gz	AUBXCGSRZPRTMZ-UHFFFAOYSA-N	-1	3	363.530	1.302	20	10		FDCDHM
CC(C)[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C1(CO)CCC1	ZINC000848122373	976344924	/nfs/dbraw/zinc/34/49/24/976344924.db2.gz	RSUYQYBXSMUOKM-OAHLLOKOSA-N	-1	3	370.471	1.681	20	10		FDCDHM
CNS(=O)(=O)C[C@@H]1CCCN(Cc2cc(F)cc(C(C)=O)c2[O-])C1	ZINC000860196940	983281585	/nfs/dbraw/zinc/28/15/85/983281585.db2.gz	MZKDCTQEOCTBRF-GFCCVEGCSA-N	-1	3	358.435	1.495	20	10		FDCDHM
COCCOCCN1CCN(Cc2c([O-])cccc2Br)CC1	ZINC000862402581	984376524	/nfs/dbraw/zinc/37/65/24/984376524.db2.gz	PMQSRXRYDDTIQG-UHFFFAOYSA-N	-1	3	373.291	1.935	20	10		FDCDHM
CNC(=O)NC[C@H]1CN(Cc2c([O-])cccc2Br)CCO1	ZINC000862463073	984395810	/nfs/dbraw/zinc/39/58/10/984395810.db2.gz	XSOWPPBWVDOARZ-JTQLQIEISA-N	-1	3	358.236	1.285	20	10		FDCDHM
O=C(CN1CCCN(Cc2ccc(F)c(F)c2[O-])CC1)N1CCCC1	ZINC000876567750	992709684	/nfs/dbraw/zinc/70/96/84/992709684.db2.gz	DMGDWQBEELKTPD-UHFFFAOYSA-N	-1	3	353.413	1.801	20	10		FDCDHM
COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@H](O)C[C@](C)(O)C1CC1	ZINC000878243102	993826523	/nfs/dbraw/zinc/82/65/23/993826523.db2.gz	ULEIHXLEBKXXDL-QAPCUYQASA-N	-1	3	371.861	1.933	20	10		FDCDHM
C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)NCc1c([O-])cccc1F)C2=O	ZINC000928710189	1001632991	/nfs/dbraw/zinc/63/29/91/1001632991.db2.gz	PPFQXKMSYAZUJH-VOJFVSQTSA-N	-1	3	363.389	1.648	20	10		FDCDHM
COC(=O)CN(CCN1CCN(C)CC1)Cc1c([O-])ccc(Cl)c1F	ZINC000798959539	1005215838	/nfs/dbraw/zinc/21/58/38/1005215838.db2.gz	KPEXXTZZFBSRRW-UHFFFAOYSA-N	-1	3	373.856	1.407	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCCc3c[nH]nc32)c1	ZINC000269017714	674105679	/nfs/dbraw/zinc/10/56/79/674105679.db2.gz	IZXWOHXZQMBEEU-GFCCVEGCSA-N	-1	3	350.400	1.294	20	10		FDCDHM
CC[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@@H](O)C(F)(F)F	ZINC000271355662	674336029	/nfs/dbraw/zinc/33/60/29/674336029.db2.gz	DHGYJVHMWGNRSQ-MWLCHTKSSA-N	-1	3	370.349	1.195	20	10		FDCDHM
Cc1nccn1C[C@H](C)CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000068360548	523767498	/nfs/dbraw/zinc/76/74/98/523767498.db2.gz	MUHHYEOZYXUHNV-LLVKDONJSA-N	-1	3	366.443	1.335	20	10		FDCDHM
Cn1cc(N2CCN(Cc3cc(Br)ccc3[O-])CC2=O)cn1	ZINC000093530278	524989709	/nfs/dbraw/zinc/98/97/09/524989709.db2.gz	NIJUXXNLBQHGSR-UHFFFAOYSA-N	-1	3	365.231	1.737	20	10		FDCDHM
CC(C)OCCS(=O)(=O)N1CCN(Cc2cc(F)ccc2[O-])CC1	ZINC000180252190	525679169	/nfs/dbraw/zinc/67/91/69/525679169.db2.gz	NJXOMYIUZSZFKJ-UHFFFAOYSA-N	-1	3	360.451	1.404	20	10		FDCDHM
CCC[C@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C(=O)OCC	ZINC000279650758	537351996	/nfs/dbraw/zinc/35/19/96/537351996.db2.gz	ZUGVOOORRPDJQU-LLVKDONJSA-N	-1	3	372.443	1.473	20	10		FDCDHM
O=C(NCc1ccccc1OCCN1CCOCC1)c1cccc(O)c1[O-]	ZINC000280442314	537411924	/nfs/dbraw/zinc/41/19/24/537411924.db2.gz	KATDRQGYVAKPMJ-UHFFFAOYSA-N	-1	3	372.421	1.739	20	10		FDCDHM
CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@H]1NCCO[C@@H]1C	ZINC000284550530	537425183	/nfs/dbraw/zinc/42/51/83/537425183.db2.gz	FLESNMQCCFUZJZ-YGRLFVJLSA-N	-1	3	357.248	1.880	20	10		FDCDHM
CC[C@@H](CNS(C)(=O)=O)NCc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000295111202	537710844	/nfs/dbraw/zinc/71/08/44/537710844.db2.gz	VASNTYUBERBRFN-JTQLQIEISA-N	-1	3	351.812	1.371	20	10		FDCDHM
Cc1ccc(C(=O)Nc2cccc3c2CCN3S(C)(=O)=O)c([O-])c1O	ZINC000371840090	537833516	/nfs/dbraw/zinc/83/35/16/537833516.db2.gz	DBHOXLJBMJRNNC-UHFFFAOYSA-N	-1	3	362.407	1.981	20	10		FDCDHM
Cc1ccc(C(=O)N2CCC(CC(=O)N3CCOCC3)CC2)c([O-])c1O	ZINC000367881122	537969523	/nfs/dbraw/zinc/96/95/23/537969523.db2.gz	YCRRJWQLOCUKNW-UHFFFAOYSA-N	-1	3	362.426	1.507	20	10		FDCDHM
CC(=O)c1cc(Cl)cc(CN2CCCN(CC(=O)N(C)C)CC2)c1[O-]	ZINC000378005762	538055804	/nfs/dbraw/zinc/05/58/04/538055804.db2.gz	ZQJJUAUJVKGWRQ-UHFFFAOYSA-N	-1	3	367.877	1.844	20	10		FDCDHM
CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F	ZINC000821615967	607334174	/nfs/dbraw/zinc/33/41/74/607334174.db2.gz	WXBLRUBZSRKSMP-UHFFFAOYSA-N	-1	3	370.344	1.309	20	10		FDCDHM
CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F	ZINC000821615967	607334175	/nfs/dbraw/zinc/33/41/75/607334175.db2.gz	WXBLRUBZSRKSMP-UHFFFAOYSA-N	-1	3	370.344	1.309	20	10		FDCDHM
COc1ccc(O)c([C@@H](C)NC(=O)CNc2ccc(-c3nn[n-]n3)cc2)c1	ZINC000737106269	598779139	/nfs/dbraw/zinc/77/91/39/598779139.db2.gz	QNROZADFVOOWMX-LLVKDONJSA-N	-1	3	368.397	1.870	20	10		FDCDHM
O=C([O-])N1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2[O-])C1	ZINC000834024514	605692855	/nfs/dbraw/zinc/69/28/55/605692855.db2.gz	DGALLEKSLINZQS-GDBMZVCRSA-N	-1	3	361.442	1.863	20	10		FDCDHM
O=C([O-])N1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2[O-])C1	ZINC000834024514	605692858	/nfs/dbraw/zinc/69/28/58/605692858.db2.gz	DGALLEKSLINZQS-GDBMZVCRSA-N	-1	3	361.442	1.863	20	10		FDCDHM
Cn1cc(-c2nnn[n-]2)cc1C(=O)NCc1ccc2c(c1)CCCN2C	ZINC000821625038	606237203	/nfs/dbraw/zinc/23/72/03/606237203.db2.gz	DGNBOCMCMYOYJL-UHFFFAOYSA-N	-1	3	351.414	1.518	20	10		FDCDHM
Cn1cc(-c2nn[n-]n2)cc1C(=O)NCc1ccc2c(c1)CCCN2C	ZINC000821625038	606237204	/nfs/dbraw/zinc/23/72/04/606237204.db2.gz	DGNBOCMCMYOYJL-UHFFFAOYSA-N	-1	3	351.414	1.518	20	10		FDCDHM
CN(C)c1ccc(CNC(=O)c2ncc(-c3nnn[n-]3)cc2Cl)cc1	ZINC000821589214	607231202	/nfs/dbraw/zinc/23/12/02/607231202.db2.gz	CRKIFPMLSOKBPW-UHFFFAOYSA-N	-1	3	357.805	1.911	20	10		FDCDHM
CN(C)c1ccc(CNC(=O)c2ncc(-c3nn[n-]n3)cc2Cl)cc1	ZINC000821589214	607231203	/nfs/dbraw/zinc/23/12/03/607231203.db2.gz	CRKIFPMLSOKBPW-UHFFFAOYSA-N	-1	3	357.805	1.911	20	10		FDCDHM
CN(C[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1)c1ccc2c(c1)OCO2	ZINC000825902554	607927351	/nfs/dbraw/zinc/92/73/51/607927351.db2.gz	VUPSTPXEPVNSIZ-CQSZACIVSA-N	-1	3	369.381	1.472	20	10		FDCDHM
CN(CC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccc2c(c1)OCO2	ZINC000825892656	607927493	/nfs/dbraw/zinc/92/74/93/607927493.db2.gz	RQGWQKOMMQOEFB-UHFFFAOYSA-N	-1	3	352.354	1.670	20	10		FDCDHM
CN(CC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccc2c(c1)OCO2	ZINC000825892656	607927494	/nfs/dbraw/zinc/92/74/94/607927494.db2.gz	RQGWQKOMMQOEFB-UHFFFAOYSA-N	-1	3	352.354	1.670	20	10		FDCDHM
Cc1cc(C(=O)N(C)[C@@H](C)C(N)=O)c(C)n1-c1ccc(-c2nn[n-]n2)cc1	ZINC000826256965	608278975	/nfs/dbraw/zinc/27/89/75/608278975.db2.gz	IKABVAKBMNRQRI-LBPRGKRZSA-N	-1	3	367.413	1.220	20	10		FDCDHM
CCOC1CC(CNC(=O)c2cccc(O)c2[O-])(N2CCOCC2)C1	ZINC000278239667	675110187	/nfs/dbraw/zinc/11/01/87/675110187.db2.gz	WDCWEVIMBFTULA-UHFFFAOYSA-N	-1	3	350.415	1.098	20	10		FDCDHM
COC(=O)[C@@H](O)C1CCN(Cc2cccc(Br)c2[O-])CC1	ZINC000092015091	671513976	/nfs/dbraw/zinc/51/39/76/671513976.db2.gz	JZRSEIYGTMCPRS-AWEZNQCLSA-N	-1	3	358.232	1.901	20	10		FDCDHM
COC(=O)c1cc(OC)c(S(=O)(=O)[N-]CCc2ccc(N)cc2)s1	ZINC000262788649	672849823	/nfs/dbraw/zinc/84/98/23/672849823.db2.gz	RDIBGRAOUNKUME-UHFFFAOYSA-N	-1	3	370.452	1.647	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC[C@@H](O)C2CCCCC2)c1	ZINC000263922634	672890800	/nfs/dbraw/zinc/89/08/00/672890800.db2.gz	GVAWAZLRYDQCCJ-OAHLLOKOSA-N	-1	3	356.444	1.435	20	10		FDCDHM
CC1(C)CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])[C@@H]1[C@@H]1CCCO1	ZINC000292665642	676303965	/nfs/dbraw/zinc/30/39/65/676303965.db2.gz	LVHCGHHSSQSOSU-LSDHHAIUSA-N	-1	3	368.455	1.793	20	10		FDCDHM
O=c1ccc(N2CCN(Cc3cc(Br)ccc3[O-])CC2)n[nH]1	ZINC000362096403	676908302	/nfs/dbraw/zinc/90/83/02/676908302.db2.gz	GLAIRLFFMDFOIY-UHFFFAOYSA-N	-1	3	365.231	1.973	20	10		FDCDHM
CCN1CCO[C@@H](CN2CCN(Cc3cccc(Cl)c3[O-])CC2)C1	ZINC000371425181	677669880	/nfs/dbraw/zinc/66/98/80/677669880.db2.gz	RLUIUKTXBQMQAD-MRXNPFEDSA-N	-1	3	353.894	1.884	20	10		FDCDHM
Cc1cc([O-])c(CN2CCN(S(=O)(=O)c3cc[nH]n3)CC2)c(Cl)c1	ZINC000894978322	819429393	/nfs/dbraw/zinc/42/93/93/819429393.db2.gz	JGFMZHFOUSAFBT-UHFFFAOYSA-N	-1	3	370.862	1.584	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC[C@@H](O)Cc2ccccc2)c1	ZINC000729538482	822531069	/nfs/dbraw/zinc/53/10/69/822531069.db2.gz	WMEMUJSIUGEZFD-AWEZNQCLSA-N	-1	3	364.423	1.097	20	10		FDCDHM
CS(C)(=O)=NS(=O)(=O)CCNCc1cc(Cl)cc(F)c1[O-]	ZINC000896312582	824307972	/nfs/dbraw/zinc/30/79/72/824307972.db2.gz	KETDBHGQWUIIJU-UHFFFAOYSA-N	-1	3	358.844	1.332	20	10		FDCDHM
COc1cccc(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1O	ZINC000729858873	842332286	/nfs/dbraw/zinc/33/22/86/842332286.db2.gz	FCKXWXKLSUYTHM-UHFFFAOYSA-N	-1	3	366.395	1.408	20	10		FDCDHM
COC(=O)C=Cc1ccc(N2CCc3c(=O)[n-]cnc3C2)c([N+](=O)[O-])c1	ZINC000784172803	864450008	/nfs/dbraw/zinc/45/00/08/864450008.db2.gz	YJNKBUQYDJMHBS-HWKANZROSA-N	-1	3	356.338	1.839	20	10		FDCDHM
CCCS(=O)(=O)N1CCC(NC(=O)NCc2c([O-])cccc2F)CC1	ZINC000914016047	870378317	/nfs/dbraw/zinc/37/83/17/870378317.db2.gz	GTOBOMDZCNAUDU-UHFFFAOYSA-N	-1	3	373.450	1.535	20	10		FDCDHM
COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]Cc1cc(Cl)ccc1O	ZINC001212413077	912238068	/nfs/dbraw/zinc/23/80/68/912238068.db2.gz	DROZQTAPOGUHSW-UHFFFAOYSA-N	-1	3	359.791	1.342	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCc2ccc(Cl)nc2)c1	ZINC000919818286	886208656	/nfs/dbraw/zinc/20/86/56/886208656.db2.gz	FLQXCXKOZZZAJE-UHFFFAOYSA-N	-1	3	355.803	1.742	20	10		FDCDHM
COC[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccccc1	ZINC000769755336	929644602	/nfs/dbraw/zinc/64/46/02/929644602.db2.gz	XOQRFQMOEWUTFQ-HNNXBMFYSA-N	-1	3	364.423	1.881	20	10		FDCDHM
CCCCC[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C(=O)OC	ZINC000769959765	929755336	/nfs/dbraw/zinc/75/53/36/929755336.db2.gz	RDKCBLIAPJRVNY-ZDUSSCGKSA-N	-1	3	372.443	1.615	20	10		FDCDHM
COc1cc(CCNC(=O)c2cccc(O)c2[O-])c([N+](=O)[O-])cc1OC	ZINC000788631321	932765459	/nfs/dbraw/zinc/76/54/59/932765459.db2.gz	VXYQNUMKBZIBNR-UHFFFAOYSA-N	-1	3	362.338	1.996	20	10		FDCDHM
CN1CCN(c2ccc(CNC(=O)c3c(F)ccc(O)c3[O-])cn2)CC1	ZINC000789946887	933265041	/nfs/dbraw/zinc/26/50/41/933265041.db2.gz	RIXCUGYKPVSBSR-UHFFFAOYSA-N	-1	3	360.389	1.314	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCC2(CO)CC3(CCC3)C2)c1	ZINC000790090984	933363451	/nfs/dbraw/zinc/36/34/51/933363451.db2.gz	QYNXWJVVBMNSNP-UHFFFAOYSA-N	-1	3	368.455	1.436	20	10		FDCDHM
CN1CCN(C(=O)c2cccc(O)c2[O-])[C@H](CNC(=O)OC(C)(C)C)C1	ZINC000790897439	933775617	/nfs/dbraw/zinc/77/56/17/933775617.db2.gz	WVHDBOYAEITOAA-GFCCVEGCSA-N	-1	3	365.430	1.379	20	10		FDCDHM
CN1CCC[C@@H]1C(=O)N1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1	ZINC000816519033	942242449	/nfs/dbraw/zinc/24/24/49/942242449.db2.gz	VYAXNPSMTFPNRF-OAHLLOKOSA-N	-1	3	355.841	1.923	20	10		FDCDHM
O=S(=O)(N=S1(=O)CCCC1)[N-]Cc1ccc(N2CCOCC2)cc1	ZINC000820787136	944212588	/nfs/dbraw/zinc/21/25/88/944212588.db2.gz	JBKSZWYNAWVNHI-UHFFFAOYSA-N	-1	3	373.500	1.119	20	10		FDCDHM
Cc1cc([O-])c(CN2CCN(C(=O)CN3CCOCC3)CC2)cc1Cl	ZINC000824548814	946531310	/nfs/dbraw/zinc/53/13/10/946531310.db2.gz	RLALFFVKJDLBBS-UHFFFAOYSA-N	-1	3	367.877	1.330	20	10		FDCDHM
CCNS(=O)(=O)[C@@H]1CCN(Cc2ccc(Br)cc2[O-])C1	ZINC000825456965	947255517	/nfs/dbraw/zinc/25/55/17/947255517.db2.gz	ZWAHIFHPBKOSPY-GFCCVEGCSA-N	-1	3	363.277	1.668	20	10		FDCDHM
COC(=O)[C@H](CC(C)(C)C)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000844007951	947602480	/nfs/dbraw/zinc/60/24/80/947602480.db2.gz	QMUCIIQWWYZSLY-LBPRGKRZSA-N	-1	3	372.443	1.471	20	10		FDCDHM
COC(=O)c1nnn(Cc2ccccc2)c1NC(=O)c1cccc(O)c1[O-]	ZINC001148212093	952647110	/nfs/dbraw/zinc/64/71/10/952647110.db2.gz	LVHBENCOQPWFHD-UHFFFAOYSA-N	-1	3	368.349	1.777	20	10		FDCDHM
CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2cccc(O)c2[O-])CC12COC2	ZINC001148218635	952651950	/nfs/dbraw/zinc/65/19/50/952651950.db2.gz	JBHBASOYBUIFBL-ZDUSSCGKSA-N	-1	3	364.398	1.464	20	10		FDCDHM
NC(=O)c1cc(Cl)nc(Cl)c1NC(=O)c1cc(O)c([O-])c(O)c1	ZINC001148582212	952757292	/nfs/dbraw/zinc/75/72/92/952757292.db2.gz	FWFVRPIBMQVGAM-UHFFFAOYSA-N	-1	3	358.137	1.856	20	10		FDCDHM
CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2cc(O)c([O-])c(O)c2)C[C@@H]1F	ZINC001148584302	952757879	/nfs/dbraw/zinc/75/78/79/952757879.db2.gz	RNKFNFIWYSLADF-WDEREUQCSA-N	-1	3	370.377	1.881	20	10		FDCDHM
COc1ccc(O[C@@H]2CCCN(C(=O)c3cc(O)c([O-])c(O)c3)C2)nc1	ZINC001148587458	952759840	/nfs/dbraw/zinc/75/98/40/952759840.db2.gz	IMOXXPXENBKZIE-CYBMUJFWSA-N	-1	3	360.366	1.891	20	10		FDCDHM
O=C(c1cc(O)c([O-])c(O)c1)N1CCC(Oc2ccc(Cl)nn2)CC1	ZINC001148588152	952759932	/nfs/dbraw/zinc/75/99/32/952759932.db2.gz	PVZZTQCFHAPRNI-UHFFFAOYSA-N	-1	3	365.773	1.930	20	10		FDCDHM
CC(C)(C)OC(=O)N1CCOC[C@H]1CNC(=O)c1cc(O)c([O-])c(O)c1	ZINC001148589726	952760708	/nfs/dbraw/zinc/76/07/08/952760708.db2.gz	IYIBCWBQHAIRMQ-LLVKDONJSA-N	-1	3	368.386	1.169	20	10		FDCDHM
Cc1c(NC(=O)c2cc(O)c([O-])c(O)c2)c(=O)n(-c2ccccc2)n1C	ZINC001148590222	952761249	/nfs/dbraw/zinc/76/12/49/952761249.db2.gz	ZUAXZVWDXYNHNH-UHFFFAOYSA-N	-1	3	355.350	1.854	20	10		FDCDHM
CN(C)c1ccc([C@@H](CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)N(C)C)cc1	ZINC001593708938	954170521	/nfs/dbraw/zinc/17/05/21/954170521.db2.gz	LPSQMLQILQJERJ-HLLBOEOZSA-N	-1	3	362.474	1.908	20	10		FDCDHM
CC(=O)N[C@H](CCO)C(=O)NCc1cc(Cl)c2cccnc2c1[O-]	ZINC001182134494	961481359	/nfs/dbraw/zinc/48/13/59/961481359.db2.gz	IDWJZDHXSGILTN-CYBMUJFWSA-N	-1	3	351.790	1.097	20	10		FDCDHM
Cc1cc(CN2CC(=O)N(C3CC3)C(=O)C2)c([O-])cc1Br	ZINC001250120702	963196811	/nfs/dbraw/zinc/19/68/11/963196811.db2.gz	NMQCMPQXCAGOTK-UHFFFAOYSA-N	-1	3	353.216	1.796	20	10		FDCDHM
COc1c([O-])c(CNc2ccc(-n3ncn(C)c3=O)cc2)ccc1[N+](=O)[O-]	ZINC000775050004	964734265	/nfs/dbraw/zinc/73/42/65/964734265.db2.gz	ALJCDGZAHZFZHX-UHFFFAOYSA-N	-1	3	371.353	1.806	20	10		FDCDHM
CN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)c1cccc(O)c1[O-])CC2	ZINC000776656223	967988880	/nfs/dbraw/zinc/98/88/80/967988880.db2.gz	QULBCEFISDYOPJ-UHFFFAOYSA-N	-1	3	362.407	1.551	20	10		FDCDHM
O=C(CNC(=O)c1cnc(-c2ccccn2)nc1O)c1ccc([O-])c(O)c1	ZINC001190629436	967993532	/nfs/dbraw/zinc/99/35/32/967993532.db2.gz	QRXLFUGVAMIABS-UHFFFAOYSA-N	-1	3	366.333	1.268	20	10		FDCDHM
CC(C)N1CCc2c(c3ccccc3n2CC(=O)Nn2c(=O)[n-][nH]c2=O)C1	ZINC000854610776	969019261	/nfs/dbraw/zinc/01/92/61/969019261.db2.gz	KPLDXALOBCOSAJ-UHFFFAOYSA-N	-1	3	370.413	1.181	20	10		FDCDHM
COC(=O)c1ccc(S(=O)(=O)NCc2c([O-])cccc2F)c(F)c1	ZINC001195135698	970714075	/nfs/dbraw/zinc/71/40/75/970714075.db2.gz	BHQLEEKMLMXYQY-UHFFFAOYSA-N	-1	3	357.334	1.936	20	10		FDCDHM
CCS(=O)(=O)c1cccc(S(=O)(=O)NCc2c([O-])cccc2F)c1	ZINC001195136346	970714140	/nfs/dbraw/zinc/71/41/40/970714140.db2.gz	ILZOJXGESOMILC-UHFFFAOYSA-N	-1	3	373.427	1.803	20	10		FDCDHM
Cc1ccc(NC(=O)c2cccc(O)c2[O-])cc1S(=O)(=O)N(C)C	ZINC000776325425	975742355	/nfs/dbraw/zinc/74/23/55/975742355.db2.gz	MYLOPFJHLRAWFV-UHFFFAOYSA-N	-1	3	350.396	1.909	20	10		FDCDHM
O=c1[nH]cc(S(=O)(=O)[N-]Cc2ccc(N3CCOCC3)cc2)s1	ZINC000866582200	975808828	/nfs/dbraw/zinc/80/88/28/975808828.db2.gz	HZCLZFFKAKATCM-UHFFFAOYSA-N	-1	3	355.441	1.164	20	10		FDCDHM
Cc1nocc1S(=O)(=O)[N-][C@@H](C)c1ccc(N2CCOCC2)cc1	ZINC000866606311	975829635	/nfs/dbraw/zinc/82/96/35/975829635.db2.gz	VAGHMNNDKVONCJ-LBPRGKRZSA-N	-1	3	351.428	1.859	20	10		FDCDHM
Cc1cc(C(=O)NCCOC(N)=O)c(C)n1-c1ccc(-c2nn[n-]n2)cc1	ZINC000826259124	980546331	/nfs/dbraw/zinc/54/63/31/980546331.db2.gz	IPRZLQZZAMQYFB-UHFFFAOYSA-N	-1	3	369.385	1.513	20	10		FDCDHM
CC(=O)c1cc(Cl)cc(CN2CCC(O)(COCCO)CC2)c1[O-]	ZINC000886743107	986537559	/nfs/dbraw/zinc/53/75/59/986537559.db2.gz	TXDJJNCWIYACEB-UHFFFAOYSA-N	-1	3	357.834	1.584	20	10		FDCDHM
Cc1nccc(CN2CCC[C@H](NC(=O)c3cccc(O)c3[O-])C2=O)n1	ZINC000365758686	988054265	/nfs/dbraw/zinc/05/42/65/988054265.db2.gz	FDZKWVTVYCYQSU-AWEZNQCLSA-N	-1	3	356.382	1.117	20	10		FDCDHM
O=C(c1cccc(O)c1[O-])N1CCN2C(=O)N(c3ccccc3)C(=O)[C@@H]2C1	ZINC000365759511	988054674	/nfs/dbraw/zinc/05/46/74/988054674.db2.gz	TZWMWBMLVFDKST-AWEZNQCLSA-N	-1	3	367.361	1.391	20	10		FDCDHM
CCOC(=O)c1ncn(C2CCN(C(=O)c3cccc(O)c3[O-])CC2)c1N	ZINC000298240266	989983220	/nfs/dbraw/zinc/98/32/20/989983220.db2.gz	CRCCBVLDRKRSHX-UHFFFAOYSA-N	-1	3	374.397	1.531	20	10		FDCDHM
CN(C)c1ccc([C@H](CNC(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)N(C)C)cc1	ZINC001598313089	991286625	/nfs/dbraw/zinc/28/66/25/991286625.db2.gz	BQKPUWZQPXYSAF-VVLHAWIVSA-N	-1	3	360.458	1.327	20	10		FDCDHM
C[C@@H]([NH2+][C@@H]1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1)c1ccccc1[O-]	ZINC001593231275	994372730	/nfs/dbraw/zinc/37/27/30/994372730.db2.gz	JAAKUFQZAJVAPE-GWUZIGMUSA-N	-1	3	353.440	1.853	20	10		FDCDHM
COC(=O)[C@@H]1CCN(Cc2cc(Cl)cc(OC)c2O)[C@@H](C(=O)[O-])C1	ZINC001598797078	996115210	/nfs/dbraw/zinc/11/52/10/996115210.db2.gz	AFHJMFVYNXKBGJ-BXKDBHETSA-N	-1	3	357.790	1.892	20	10		FDCDHM
COc1ccc(N2CCN(CCCNC(=O)c3cncc([O-])c3)CC2)cc1	ZINC000264825583	997625996	/nfs/dbraw/zinc/62/59/96/997625996.db2.gz	IARGWALURSDMJP-UHFFFAOYSA-N	-1	3	370.453	1.738	20	10		FDCDHM
CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCc1c([O-])cccc1F	ZINC000928711585	1001633360	/nfs/dbraw/zinc/63/33/60/1001633360.db2.gz	JKKJKXYHAAICAR-CQSZACIVSA-N	-1	3	358.435	1.742	20	10		FDCDHM
COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@@H]1C[C@H]2COC[C@@H]2O1	ZINC000929975369	1002685175	/nfs/dbraw/zinc/68/51/75/1002685175.db2.gz	GFRXFUHVMBVIII-NOLJZWGESA-N	-1	3	355.818	1.825	20	10		FDCDHM
CO[C@@]1(C)C[C@@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1(C)C	ZINC000271442075	674343616	/nfs/dbraw/zinc/34/36/16/674343616.db2.gz	VQAIQONSMGVTOX-CJNGLKHVSA-N	-1	3	356.444	1.697	20	10		FDCDHM
CC(C)[C@@H]1C[C@@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCO1	ZINC000271459203	674344749	/nfs/dbraw/zinc/34/47/49/674344749.db2.gz	XAASSWQLLIPMCT-NHYWBVRUSA-N	-1	3	356.444	1.697	20	10		FDCDHM
Cc1nn(C)cc1[C@@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000069497463	521891983	/nfs/dbraw/zinc/89/19/83/521891983.db2.gz	WUXZJFBUBCCKIL-SECBINFHSA-N	-1	3	352.416	1.297	20	10		FDCDHM
CC(=O)c1cc(Cl)cc(CN2CCC(CS(N)(=O)=O)CC2)c1[O-]	ZINC000089992372	524567605	/nfs/dbraw/zinc/56/76/05/524567605.db2.gz	GTCKMUCKWPDODS-UHFFFAOYSA-N	-1	3	360.863	1.749	20	10		FDCDHM
O=C(c1ccc(CNCc2c([O-])cccc2Cl)cc1)N1CCNC(=O)C1	ZINC000113323693	524672350	/nfs/dbraw/zinc/67/23/50/524672350.db2.gz	JOJCYGGDCGOXBX-UHFFFAOYSA-N	-1	3	373.840	1.907	20	10		FDCDHM
Cc1noc(C)c1S(=O)(=O)N1CCCN(Cc2ccccc2[O-])CC1	ZINC000179554627	525602031	/nfs/dbraw/zinc/60/20/31/525602031.db2.gz	MUEASFIOEKETEI-UHFFFAOYSA-N	-1	3	365.455	1.894	20	10		FDCDHM
C[C@@H](C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)n1cncn1	ZINC000134268109	526144218	/nfs/dbraw/zinc/14/42/18/526144218.db2.gz	FWUJWUHINCJHJR-SWLSCSKDSA-N	-1	3	363.849	1.979	20	10		FDCDHM
COC(=O)CN(CC(=O)NCc1ccco1)Cc1cc(Cl)ccc1[O-]	ZINC000109779714	526182003	/nfs/dbraw/zinc/18/20/03/526182003.db2.gz	HFLWINZTYQRQBQ-UHFFFAOYSA-N	-1	3	366.801	1.930	20	10		FDCDHM
Cc1noc(C)c1C[C@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000265779473	537172693	/nfs/dbraw/zinc/17/26/93/537172693.db2.gz	IYMLATNAIWDVSN-VIFPVBQESA-N	-1	3	367.427	1.730	20	10		FDCDHM
C[C@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C[C@@H](C2CC2)O1	ZINC000279952526	537359745	/nfs/dbraw/zinc/35/97/45/537359745.db2.gz	KADYAYVYGPENBT-BONVTDFDSA-N	-1	3	354.428	1.403	20	10		FDCDHM
COC[C@H]1CCCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1	ZINC000363931012	537371138	/nfs/dbraw/zinc/37/11/38/537371138.db2.gz	ZMPPLOZISSRTGX-LBPRGKRZSA-N	-1	3	356.444	1.652	20	10		FDCDHM
COc1ncccc1CCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000292238590	537720685	/nfs/dbraw/zinc/72/06/85/537720685.db2.gz	NQOUTNQLWYHNDP-UHFFFAOYSA-N	-1	3	365.411	1.140	20	10		FDCDHM
Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NCc1ccc(N(C)C)cc1	ZINC000737224778	598996524	/nfs/dbraw/zinc/99/65/24/598996524.db2.gz	GFUOEMDKYKVELD-UHFFFAOYSA-N	-1	3	372.454	1.720	20	10		FDCDHM
Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NCc1ccc(N(C)C)cc1	ZINC000737224778	598996526	/nfs/dbraw/zinc/99/65/26/598996526.db2.gz	GFUOEMDKYKVELD-UHFFFAOYSA-N	-1	3	372.454	1.720	20	10		FDCDHM
O=C([O-])N1CCN(C(=O)[C@H]2CCC[N@H+](Cc3cc(F)ccc3[O-])C2)CC1	ZINC000834115980	605564927	/nfs/dbraw/zinc/56/49/27/605564927.db2.gz	OUCLKDKHIJFHOL-ZDUSSCGKSA-N	-1	3	365.405	1.566	20	10		FDCDHM
O=C([O-])N1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3cc(F)ccc3[O-])C2)CC1	ZINC000834115980	605564933	/nfs/dbraw/zinc/56/49/33/605564933.db2.gz	OUCLKDKHIJFHOL-ZDUSSCGKSA-N	-1	3	365.405	1.566	20	10		FDCDHM
O=C(CSc1ccc(-c2nnn[n-]2)cc1)NCc1ccc(O)c(O)c1	ZINC000823065975	607192207	/nfs/dbraw/zinc/19/22/07/607192207.db2.gz	HEGOJFJNPSSVHP-UHFFFAOYSA-N	-1	3	357.395	1.686	20	10		FDCDHM
O=C(CSc1ccc(-c2nn[n-]n2)cc1)NCc1ccc(O)c(O)c1	ZINC000823065975	607192208	/nfs/dbraw/zinc/19/22/08/607192208.db2.gz	HEGOJFJNPSSVHP-UHFFFAOYSA-N	-1	3	357.395	1.686	20	10		FDCDHM
Cc1oc(NC(=O)CN(C)c2ccc3c(c2)OCO3)c(-c2nnn[n-]2)c1C	ZINC000826341932	607927676	/nfs/dbraw/zinc/92/76/76/607927676.db2.gz	SYHBOEZZDRCQDA-UHFFFAOYSA-N	-1	3	370.369	1.880	20	10		FDCDHM
COC1(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCCCC1	ZINC000274660172	674594721	/nfs/dbraw/zinc/59/47/21/674594721.db2.gz	DLBBPWXPPXPCMI-UHFFFAOYSA-N	-1	3	356.444	1.843	20	10		FDCDHM
Cc1nccn1CCCCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000266508315	673134489	/nfs/dbraw/zinc/13/44/89/673134489.db2.gz	HSKDYGLFWBRVIU-UHFFFAOYSA-N	-1	3	366.443	1.479	20	10		FDCDHM
COCCN(Cc1cc(F)cc(C(C)=O)c1[O-])[C@H]1CCS(=O)(=O)C1	ZINC000267428279	673302942	/nfs/dbraw/zinc/30/29/42/673302942.db2.gz	BXJJEZVFKLZYFM-AWEZNQCLSA-N	-1	3	359.419	1.369	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2C[C@]3(CCCO3)[C@@H]2C2CC2)c1	ZINC000294717508	676396246	/nfs/dbraw/zinc/39/62/46/676396246.db2.gz	HFZFAXGYYKEGGE-DOTOQJQBSA-N	-1	3	366.439	1.547	20	10		FDCDHM
O=S(=O)(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)[C@H]1CCOC1	ZINC000378235472	678723889	/nfs/dbraw/zinc/72/38/89/678723889.db2.gz	RCIUJEVACWJRIV-CABCVRRESA-N	-1	3	374.890	1.718	20	10		FDCDHM
C[C@]12CSC[C@H]1CN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C2	ZINC000891187928	773602658	/nfs/dbraw/zinc/60/26/58/773602658.db2.gz	WYQYTCPLEIISHQ-BMIGLBTASA-N	-1	3	356.469	1.589	20	10		FDCDHM
O=C(NCc1cccc(Br)c1[O-])C1CN([C@H]2CCOC2)C1	ZINC000897576685	839712005	/nfs/dbraw/zinc/71/20/05/839712005.db2.gz	MCLURZHDEMKBRD-LBPRGKRZSA-N	-1	3	355.232	1.492	20	10		FDCDHM
[O-]c1cc(F)c(F)cc1CN1CCc2nnc(Cn3cccn3)n2CC1	ZINC001142520714	840458775	/nfs/dbraw/zinc/45/87/75/840458775.db2.gz	ODRYRBYMGOXEJB-UHFFFAOYSA-N	-1	3	360.368	1.565	20	10		FDCDHM
CN(C)c1ccc([C@@H](C[N-]S(=O)(=O)c2c[nH]nc2Cl)N(C)C)cc1	ZINC000908459179	855442846	/nfs/dbraw/zinc/44/28/46/855442846.db2.gz	ACCOPPZIXZTKMF-CYBMUJFWSA-N	-1	3	371.894	1.710	20	10		FDCDHM
Cc1nc(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])sc1C	ZINC000743814191	926468511	/nfs/dbraw/zinc/46/85/11/926468511.db2.gz	XNHRVZZIFWKCTD-UHFFFAOYSA-N	-1	3	355.441	1.767	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2cnn(-c3ccncc3)c2)c1	ZINC000769755204	929643403	/nfs/dbraw/zinc/64/34/03/929643403.db2.gz	ULVSWEKJSCCWAB-UHFFFAOYSA-N	-1	3	373.394	1.597	20	10		FDCDHM
COC[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccco1	ZINC000769938056	929772335	/nfs/dbraw/zinc/77/23/35/929772335.db2.gz	XVERYZDPJMEJJR-GFCCVEGCSA-N	-1	3	354.384	1.474	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCc2ccc3c(c2)COC3)c1	ZINC000771064464	930410758	/nfs/dbraw/zinc/41/07/58/930410758.db2.gz	MEMYYUDXIRXVRI-UHFFFAOYSA-N	-1	3	362.407	1.724	20	10		FDCDHM
C[C@H](Cc1cccc(O)c1)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000771049853	930434471	/nfs/dbraw/zinc/43/44/71/930434471.db2.gz	MQKGBOWZPMEKLN-LLVKDONJSA-N	-1	3	364.423	1.830	20	10		FDCDHM
Cc1cc(S(=O)(=O)CCO)ccc1NC(=O)c1cccc(O)c1[O-]	ZINC000787804118	932427134	/nfs/dbraw/zinc/42/71/34/932427134.db2.gz	JKRQJXVUYYVBER-UHFFFAOYSA-N	-1	3	351.380	1.425	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC[C@@H](O)c2ccccc2F)c1	ZINC000746710851	932454639	/nfs/dbraw/zinc/45/46/39/932454639.db2.gz	GTEMSTMHLMYUDR-OAHLLOKOSA-N	-1	3	368.386	1.366	20	10		FDCDHM
Cc1cc(NC(=O)c2cccc(O)c2[O-])n([C@H]2CCS(=O)(=O)C2)n1	ZINC000790568687	933605297	/nfs/dbraw/zinc/60/52/97/933605297.db2.gz	OPBCOHJWKYYNNQ-JTQLQIEISA-N	-1	3	351.384	1.215	20	10		FDCDHM
O=C(NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2)c1cccc(O)c1[O-]	ZINC000790579084	933630921	/nfs/dbraw/zinc/63/09/21/933630921.db2.gz	FHZLZYBYZPZDLV-GFCCVEGCSA-N	-1	3	372.377	1.152	20	10		FDCDHM
CN(CCNC(=O)c1cccc(O)c1[O-])S(=O)(=O)c1cccs1	ZINC000790897849	933776017	/nfs/dbraw/zinc/77/60/17/933776017.db2.gz	QEMUGFKLKJKSNQ-UHFFFAOYSA-N	-1	3	356.425	1.210	20	10		FDCDHM
COCCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1[O-]	ZINC000790903881	933788209	/nfs/dbraw/zinc/78/82/09/933788209.db2.gz	OXAZCJMFMXHCPY-HNNXBMFYSA-N	-1	3	358.394	1.202	20	10		FDCDHM
CC(=O)C(=O)COC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1	ZINC000808503881	940553734	/nfs/dbraw/zinc/55/37/34/940553734.db2.gz	NXAOVACJIRNVOW-QGZVFWFLSA-N	-1	3	369.373	1.955	20	10		FDCDHM
COc1ccc(N2CC[C@@H](CNC(=O)Cc3c(C)nc(C)[n-]c3=O)C2)cc1	ZINC000819582074	943634167	/nfs/dbraw/zinc/63/41/67/943634167.db2.gz	DIFSKTKTOQHUNH-HNNXBMFYSA-N	-1	3	370.453	1.993	20	10		FDCDHM
COC(=O)[C@@H]1C[C@@H](O)CN(Cc2cc(C)cc(Br)c2[O-])C1	ZINC000843433770	946480805	/nfs/dbraw/zinc/48/08/05/946480805.db2.gz	KCNVIWBNMBFPJQ-VXGBXAGGSA-N	-1	3	358.232	1.819	20	10		FDCDHM
Cc1cc([O-])c(CN(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)cc1Cl	ZINC000824593015	946567590	/nfs/dbraw/zinc/56/75/90/946567590.db2.gz	JMNNPEADLUJCJV-LBPRGKRZSA-N	-1	3	360.863	1.089	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H]2[C@@H]2CCCOC2)c1	ZINC000843926216	947476563	/nfs/dbraw/zinc/47/65/63/947476563.db2.gz	JZKYFVQTWVLXFK-IUODEOHRSA-N	-1	3	368.455	1.795	20	10		FDCDHM
C[C@@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])Cc2c[nH]nc21	ZINC001171180623	949213985	/nfs/dbraw/zinc/21/39/85/949213985.db2.gz	GCUIRSGKIPTDAF-SECBINFHSA-N	-1	3	350.400	1.246	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC(C3(O)CC3)CC2)c1	ZINC000846328588	950935537	/nfs/dbraw/zinc/93/55/37/950935537.db2.gz	WJKFBDBXLALURE-UHFFFAOYSA-N	-1	3	354.428	1.141	20	10		FDCDHM
CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)c2cccc(O)c2O)[n-]1	ZINC000846644390	951401988	/nfs/dbraw/zinc/40/19/88/951401988.db2.gz	WXTDCOKRIDFHTJ-LLVKDONJSA-N	-1	3	362.386	1.910	20	10		FDCDHM
CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)c2cccc(O)c2O)n[n-]1	ZINC000846644390	951401999	/nfs/dbraw/zinc/40/19/99/951401999.db2.gz	WXTDCOKRIDFHTJ-LLVKDONJSA-N	-1	3	362.386	1.910	20	10		FDCDHM
N=c1ccc(N=Nc2ccccc2)c(N)n1C(=O)c1cc(=O)[n-]c(=O)[nH]1	ZINC001147689634	952479119	/nfs/dbraw/zinc/47/91/19/952479119.db2.gz	YPLVBAGXPYAEOD-KTWDUBJUSA-N	-1	3	351.326	1.855	20	10		FDCDHM
NC(=O)c1c(N)sc(=Nc2ccccc2)n1C(=O)c1cccc(O)c1[O-]	ZINC001148211935	952646663	/nfs/dbraw/zinc/64/66/63/952646663.db2.gz	DBXJGTGWLHQBRS-UHFFFAOYSA-N	-1	3	370.390	1.563	20	10		FDCDHM
CO[C@H](CN1CCN(C(=O)c2cc(O)c([O-])c(O)c2)CC1)c1ccccc1	ZINC001148588133	952760021	/nfs/dbraw/zinc/76/00/21/952760021.db2.gz	PFYLGFIMBDVVKA-GOSISDBHSA-N	-1	3	372.421	1.949	20	10		FDCDHM
C[C@@H]1CN(C(=O)c2cc(O)c([O-])c(O)c2)Cc2nnc(C(F)(F)F)n21	ZINC001148588078	952760082	/nfs/dbraw/zinc/76/00/82/952760082.db2.gz	NOPKZARMEJCOFU-ZCFIWIBFSA-N	-1	3	358.276	1.631	20	10		FDCDHM
CC(C)(C)OC(=O)N[C@H]1C[C@@H](CNC(=O)c2cc(O)c([O-])c(O)c2)C1	ZINC001148590007	952760720	/nfs/dbraw/zinc/76/07/20/952760720.db2.gz	VHOWVMVSXNLULG-JGZJWPJOSA-N	-1	3	352.387	1.837	20	10		FDCDHM
O=C(CC1CC(=O)NC(=O)C1)NCc1cc(Cl)c2cccnc2c1[O-]	ZINC001182177897	961558339	/nfs/dbraw/zinc/55/83/39/961558339.db2.gz	RTXASOLPIJBNII-UHFFFAOYSA-N	-1	3	361.785	1.653	20	10		FDCDHM
CNS(=O)(=O)c1cc(C(=O)NCc2c([O-])cccc2F)ccc1OC	ZINC001178413031	964228025	/nfs/dbraw/zinc/22/80/25/964228025.db2.gz	KYVPTLPJXQLTOR-UHFFFAOYSA-N	-1	3	368.386	1.378	20	10		FDCDHM
O=C(CCC(=O)Nc1ccc2[nH]c(=O)[nH]c2n1)NCc1c([O-])cccc1F	ZINC001178413035	964228135	/nfs/dbraw/zinc/22/81/35/964228135.db2.gz	LCGJCBJYWOVKOI-UHFFFAOYSA-N	-1	3	373.344	1.543	20	10		FDCDHM
O=C(NCCNS(=O)(=O)c1cccc(Cl)c1)c1cccc(O)c1[O-]	ZINC000776637317	967780737	/nfs/dbraw/zinc/78/07/37/967780737.db2.gz	UWDLGPFGGVDFDT-UHFFFAOYSA-N	-1	3	370.814	1.460	20	10		FDCDHM
CC(C)(C)OC(=O)N1CCOC[C@H]1CNC(=O)c1cccc(O)c1[O-]	ZINC000862981398	972540112	/nfs/dbraw/zinc/54/01/12/972540112.db2.gz	BDLIQVCAMKTNRZ-LLVKDONJSA-N	-1	3	352.387	1.464	20	10		FDCDHM
Cc1ccc(S(=O)(=O)[N-][C@H](C)c2ccc(N3CCOCC3)cc2)nn1	ZINC000866605516	975828565	/nfs/dbraw/zinc/82/85/65/975828565.db2.gz	OOGKUGNMCQGWSD-CQSZACIVSA-N	-1	3	362.455	1.661	20	10		FDCDHM
COc1ccc(N2CC[C@H]([N-]S(=O)(=O)c3cn(C)c(Cl)n3)C2)cc1	ZINC000849415526	977538488	/nfs/dbraw/zinc/53/84/88/977538488.db2.gz	BJORKIHRQXLJHG-NSHDSACASA-N	-1	3	370.862	1.639	20	10		FDCDHM
O=C(C=Cc1ccc(O)c(O)c1)NCc1ccc(-c2nnn[n-]2)cc1F	ZINC000826400909	983075105	/nfs/dbraw/zinc/07/51/05/983075105.db2.gz	KXTSCGODVHKUQJ-QHHAFSJGSA-N	-1	3	355.329	1.747	20	10		FDCDHM
O=C(C=Cc1ccc(O)c(O)c1)NCc1ccc(-c2nn[n-]n2)cc1F	ZINC000826400909	983075109	/nfs/dbraw/zinc/07/51/09/983075109.db2.gz	KXTSCGODVHKUQJ-QHHAFSJGSA-N	-1	3	355.329	1.747	20	10		FDCDHM
[O-]c1cccc(Br)c1CN(CCO)CCN1CCOCC1	ZINC000862229236	984266744	/nfs/dbraw/zinc/26/67/44/984266744.db2.gz	BCRXOEUVFWVQDB-UHFFFAOYSA-N	-1	3	359.264	1.281	20	10		FDCDHM
COCCC1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1	ZINC000862430195	984387796	/nfs/dbraw/zinc/38/77/96/984387796.db2.gz	QRKREEPUIOWQET-UHFFFAOYSA-N	-1	3	356.444	1.652	20	10		FDCDHM
CNS(=O)(=O)C[C@H]1CCCN(Cc2cc(Cl)cc(F)c2[O-])C1	ZINC000862551253	984410484	/nfs/dbraw/zinc/41/04/84/984410484.db2.gz	KMGJNMWUFRAGQY-JTQLQIEISA-N	-1	3	350.843	1.946	20	10		FDCDHM
C[C@@]1([N-]C(=O)C(F)(F)F)CCN(Cc2cc3c(cc2O)OC[C@H]3O)C1	ZINC000872754004	988037338	/nfs/dbraw/zinc/03/73/38/988037338.db2.gz	TXHDCMVGEYKFFD-IUODEOHRSA-N	-1	3	360.332	1.461	20	10		FDCDHM
CNS(=O)(=O)c1cccc(CN[C@@H](C)c2cc(C(=O)[O-])ccc2O)c1	ZINC001598675884	994841942	/nfs/dbraw/zinc/84/19/42/994841942.db2.gz	NYWGNXNHMBUULN-NSHDSACASA-N	-1	3	364.423	1.849	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC[C@H](C(F)(F)F)C2)c1	ZINC000888013715	998019989	/nfs/dbraw/zinc/01/99/89/998019989.db2.gz	NYYXCYUFZLYNAU-QMMMGPOBSA-N	-1	3	352.334	1.788	20	10		FDCDHM
Cc1ccc(C(=O)NCCC(=O)NCCc2ccc(O)c(O)c2)c([O-])c1	ZINC000270565977	999577978	/nfs/dbraw/zinc/57/79/78/999577978.db2.gz	WROLPBTXXOBADI-UHFFFAOYSA-N	-1	3	358.394	1.591	20	10		FDCDHM
O=C(c1ccccc1[O-])N1CCN(Cc2cc3c(cc2O)OCO3)CC1	ZINC000271106834	999662290	/nfs/dbraw/zinc/66/22/90/999662290.db2.gz	WKFVFLNNDKZOIO-UHFFFAOYSA-N	-1	3	356.378	1.785	20	10		FDCDHM
O=C(NCc1c([O-])cccc1F)c1c(Br)nc2n1CCOC2	ZINC000928708111	1001632267	/nfs/dbraw/zinc/63/22/67/1001632267.db2.gz	AMUNXGUOOFBILA-UHFFFAOYSA-N	-1	3	370.178	1.951	20	10		FDCDHM
O=C(NCc1c([O-])cccc1F)[C@H]1CC=CC[C@H]1C(=O)N1CCOCC1	ZINC000928708366	1001632411	/nfs/dbraw/zinc/63/24/11/1001632411.db2.gz	KCTBFRUACQQGFK-UONOGXRCSA-N	-1	3	362.401	1.589	20	10		FDCDHM
CC(C)c1nnc([C@H](C)NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])[nH]1	ZINC000270956995	674291603	/nfs/dbraw/zinc/29/16/03/674291603.db2.gz	QNQANJXMLBHFTL-VIFPVBQESA-N	-1	3	367.431	1.496	20	10		FDCDHM
CC(=O)NC[C@@H]1CN(Cc2cc(Br)cc(C)c2[O-])CCO1	ZINC000180283224	525685535	/nfs/dbraw/zinc/68/55/35/525685535.db2.gz	DEYPBNBBYDVXBX-CQSZACIVSA-N	-1	3	357.248	1.800	20	10		FDCDHM
CCOC(=O)NCC(=O)N(CC(=O)OC)Cc1cc(Cl)ccc1[O-]	ZINC000281176916	537507500	/nfs/dbraw/zinc/50/75/00/537507500.db2.gz	LQIHIJWYTUQIPQ-UHFFFAOYSA-N	-1	3	358.778	1.293	20	10		FDCDHM
Cn1c(Cl)cnc1CN1CCCN(C(=O)c2cccc(O)c2[O-])CC1	ZINC000376552783	537851295	/nfs/dbraw/zinc/85/12/95/537851295.db2.gz	NKGYEAYHXHSPON-UHFFFAOYSA-N	-1	3	364.833	1.833	20	10		FDCDHM
NC(=O)[C@@H](NCc1ccc2c(c1)CCO2)c1ccc(-c2nn[n-]n2)cc1	ZINC000737737216	599098677	/nfs/dbraw/zinc/09/86/77/599098677.db2.gz	PIAOKLCHXIOCKJ-INIZCTEOSA-N	-1	3	350.382	1.118	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H]2[C@H]2CCCC2=O)c1	ZINC000272190388	674419715	/nfs/dbraw/zinc/41/97/15/674419715.db2.gz	NJNQHKMUCNDOGR-TZMCWYRMSA-N	-1	3	366.439	1.738	20	10		FDCDHM
Cc1oc(NC(=O)CN(C)Cc2ccccc2O)c(-c2nnn[n-]2)c1C	ZINC000737552891	598618421	/nfs/dbraw/zinc/61/84/21/598618421.db2.gz	RXFUZIKFYKQHLA-UHFFFAOYSA-N	-1	3	356.386	1.853	20	10		FDCDHM
Cc1cc(C(=O)N[C@H](C)CCO)c(C)n1-c1ccc(-c2nn[n-]n2)cc1	ZINC000826258796	607512151	/nfs/dbraw/zinc/51/21/51/607512151.db2.gz	XKCKCCWJTKDZEJ-LLVKDONJSA-N	-1	3	354.414	1.775	20	10		FDCDHM
COc1ccc(N(C)C[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)cc1F	ZINC000821828327	606881502	/nfs/dbraw/zinc/88/15/02/606881502.db2.gz	SKVUPWZJYUHFKO-AWEZNQCLSA-N	-1	3	373.388	1.891	20	10		FDCDHM
COC(=O)[C@H](O)C1CCN(Cc2cccc(Br)c2[O-])CC1	ZINC000092015089	671514143	/nfs/dbraw/zinc/51/41/43/671514143.db2.gz	JZRSEIYGTMCPRS-CQSZACIVSA-N	-1	3	358.232	1.901	20	10		FDCDHM
O=C(NCC1CCN(S(=O)(=O)C(F)F)CC1)c1cccc(O)c1[O-]	ZINC000279312972	675274173	/nfs/dbraw/zinc/27/41/73/675274173.db2.gz	OMRWRFUVFANIOI-UHFFFAOYSA-N	-1	3	364.370	1.092	20	10		FDCDHM
Cc1cnn([C@H]2CCN(C(=O)c3cc(NS(C)(=O)=O)ccc3[O-])C2)c1	ZINC000291343444	676258090	/nfs/dbraw/zinc/25/80/90/676258090.db2.gz	TVPASVQMWUFSRF-ZDUSSCGKSA-N	-1	3	364.427	1.356	20	10		FDCDHM
CS(=O)(=O)NC[C@@H]1CCCN(Cc2cc(Cl)c(F)cc2[O-])C1	ZINC000294781364	676397210	/nfs/dbraw/zinc/39/72/10/676397210.db2.gz	BSLDZULRBVDKRC-JTQLQIEISA-N	-1	3	350.843	1.946	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2COc3ccccc3C2)c1	ZINC000364517051	677024555	/nfs/dbraw/zinc/02/45/55/677024555.db2.gz	QYSSNGAOOJGASW-ZDUSSCGKSA-N	-1	3	362.407	1.497	20	10		FDCDHM
Cn1ccnc1[C@@H]1CCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000366716156	677462540	/nfs/dbraw/zinc/46/25/40/677462540.db2.gz	AIQCKGSCDBQCPR-ZDUSSCGKSA-N	-1	3	364.427	1.475	20	10		FDCDHM
CN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@@H]1[C@H]2CCO[C@@H]2C1(C)C	ZINC000378365264	678744801	/nfs/dbraw/zinc/74/48/01/678744801.db2.gz	IVZJFJNTRSFMNT-DFBGVHRSSA-N	-1	3	368.455	1.649	20	10		FDCDHM
CN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@@H]1[C@H]2CCO[C@H]2C1(C)C	ZINC000378365266	678744971	/nfs/dbraw/zinc/74/49/71/678744971.db2.gz	IVZJFJNTRSFMNT-KCPJHIHWSA-N	-1	3	368.455	1.649	20	10		FDCDHM
O=C(NCc1c([O-])cccc1F)[C@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F	ZINC000928709709	828189228	/nfs/dbraw/zinc/18/92/28/828189228.db2.gz	DOONVDQTSZKDNY-IUCAKERBSA-N	-1	3	355.309	1.371	20	10		FDCDHM
CS(=O)(=O)C[C@H]1CN(Cc2ccc(Br)cc2[O-])CCO1	ZINC000897599065	839902790	/nfs/dbraw/zinc/90/27/90/839902790.db2.gz	LUQUSVBJSOUIJD-GFCCVEGCSA-N	-1	3	364.261	1.400	20	10		FDCDHM
[O-]c1c(Br)cc(Br)cc1CN[C@@H]1CNOC1	ZINC000904425073	851210583	/nfs/dbraw/zinc/21/05/83/851210583.db2.gz	XEKOMAALVWCVGD-MRVPVSSYSA-N	-1	3	352.026	1.910	20	10		FDCDHM
O=C(NCc1c([O-])cccc1F)N[C@H]1CCC(=O)N[C@H]1[C@H]1CCCO1	ZINC000922518368	878436448	/nfs/dbraw/zinc/43/64/48/878436448.db2.gz	KWXLSULIJWONRA-JGGQBBKZSA-N	-1	3	351.378	1.157	20	10		FDCDHM
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cccc2n[n-]nc21	ZINC000182728740	893494401	/nfs/dbraw/zinc/49/44/01/893494401.db2.gz	DKNWKHAHSGVVPK-UHFFFAOYSA-N	-1	3	369.400	1.988	20	10		FDCDHM
COC(=O)CN(CC(=O)N1CCO[C@@H](C)C1)Cc1cc(Cl)ccc1[O-]	ZINC000731846635	918673487	/nfs/dbraw/zinc/67/34/87/918673487.db2.gz	OMVWDJXBVPVUCM-LBPRGKRZSA-N	-1	3	370.833	1.268	20	10		FDCDHM
COC(=O)CN(CC(=O)Nc1ccon1)Cc1cc(Cl)ccc1[O-]	ZINC000732203057	919242885	/nfs/dbraw/zinc/24/28/85/919242885.db2.gz	NCVCJSMTMMEBBW-UHFFFAOYSA-N	-1	3	353.762	1.647	20	10		FDCDHM
Cc1nnc(CN2CCN(Cc3cc(Br)ccc3[O-])CC2)[nH]1	ZINC000825109473	923463420	/nfs/dbraw/zinc/46/34/20/923463420.db2.gz	JNSLCPZAOTUISY-UHFFFAOYSA-N	-1	3	366.263	1.899	20	10		FDCDHM
CCc1cnc(CCNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])s1	ZINC000743739044	926455113	/nfs/dbraw/zinc/45/51/13/926455113.db2.gz	QNPMJUQSAMTVBY-UHFFFAOYSA-N	-1	3	369.468	1.755	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H](CCO)c2ccccc2)c1	ZINC000770013323	929775753	/nfs/dbraw/zinc/77/57/53/929775753.db2.gz	JBHITLLCSKIKBU-OAHLLOKOSA-N	-1	3	364.423	1.617	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H](CO)Cc2ccccc2)c1	ZINC000770098552	929843191	/nfs/dbraw/zinc/84/31/91/929843191.db2.gz	VWMVZTFWDVFLEC-AWEZNQCLSA-N	-1	3	364.423	1.097	20	10		FDCDHM
CS(=O)(=O)CC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1	ZINC000771059359	930406844	/nfs/dbraw/zinc/40/68/44/930406844.db2.gz	PLCRVIFXNJFPDS-ZDUSSCGKSA-N	-1	3	360.863	1.171	20	10		FDCDHM
O=C(NCc1ccc(C(=O)N2CCOCC2)cc1)c1cccc(O)c1[O-]	ZINC000790508450	933586220	/nfs/dbraw/zinc/58/62/20/933586220.db2.gz	MHQSTOPKHOYXCC-UHFFFAOYSA-N	-1	3	356.378	1.500	20	10		FDCDHM
CO[C@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C1CCCC1	ZINC000856154471	970950090	/nfs/dbraw/zinc/95/00/90/970950090.db2.gz	LQVDHTGVXJHFMF-OAHLLOKOSA-N	-1	3	356.444	1.699	20	10		FDCDHM
O=C1CN(Cc2ccccc2O)C(=O)N1Cc1nc(C(F)(F)F)n[n-]1	ZINC000819170301	943459311	/nfs/dbraw/zinc/45/93/11/943459311.db2.gz	HXYPJNPEMVDYGK-UHFFFAOYSA-N	-1	3	355.276	1.494	20	10		FDCDHM
C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1ccc(O)c(O)c1	ZINC000824739312	946920767	/nfs/dbraw/zinc/92/07/67/946920767.db2.gz	WDHPSVWBLCEMMC-JTQLQIEISA-N	-1	3	355.354	1.362	20	10		FDCDHM
O=C(NC[C@@H](O)CN1CCc2ccccc2C1)c1c(F)ccc(O)c1[O-]	ZINC000857272972	971685677	/nfs/dbraw/zinc/68/56/77/971685677.db2.gz	LFXKPSXVFXHBBY-CQSZACIVSA-N	-1	3	360.385	1.386	20	10		FDCDHM
COc1ccc(N(C)CCN(C)C(=O)CNC(=O)c2ccc([O-])cc2)cc1	ZINC000846658943	951425900	/nfs/dbraw/zinc/42/59/00/951425900.db2.gz	OOYYUCKQGOVVGO-UHFFFAOYSA-N	-1	3	371.437	1.725	20	10		FDCDHM
O=C(c1cccc(O)c1[O-])N1Cc2nccn2C[C@H](Cn2cccn2)C1	ZINC001148213899	952648142	/nfs/dbraw/zinc/64/81/42/952648142.db2.gz	MUOWTPNHEGBDGA-ZDUSSCGKSA-N	-1	3	353.382	1.463	20	10		FDCDHM
CC(C)(C)OC(=O)N1CC[C@H]2CN(C(=O)c3cc(O)c([O-])c(O)c3)C[C@H]21	ZINC001148582515	952757181	/nfs/dbraw/zinc/75/71/81/952757181.db2.gz	JJPOSFXQSVIZBW-CMPLNLGQSA-N	-1	3	364.398	1.885	20	10		FDCDHM
O=C(c1ccco1)N1CC[C@H]2CN(C(=O)c3cc(O)c([O-])c(O)c3)C[C@H]21	ZINC001148583887	952757635	/nfs/dbraw/zinc/75/76/35/952757635.db2.gz	FMHOCAQTHRUNFO-CMPLNLGQSA-N	-1	3	358.350	1.383	20	10		FDCDHM
Nc1ccc(N(C(=O)c2cc(O)c([O-])c(O)c2)[C@H]2CC[C@H](O)CC2)nc1	ZINC001148583330	952757837	/nfs/dbraw/zinc/75/78/37/952757837.db2.gz	YUAZYVQPVIICKW-JOCQHMNTSA-N	-1	3	359.382	1.731	20	10		FDCDHM
CN(C(=O)c1cc(O)c([O-])c(O)c1)[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21	ZINC001148588075	952760146	/nfs/dbraw/zinc/76/01/46/952760146.db2.gz	NLOFSUYKVPJXJW-YABSGUDNSA-N	-1	3	364.398	1.741	20	10		FDCDHM
CCN(Cc1ccccc1O)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1	ZINC001185587797	963992580	/nfs/dbraw/zinc/99/25/80/963992580.db2.gz	AVVTWYVGFNACGG-UHFFFAOYSA-N	-1	3	359.411	1.783	20	10		FDCDHM
CCN(Cc1ccccc1O)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1	ZINC001185587797	963992583	/nfs/dbraw/zinc/99/25/83/963992583.db2.gz	AVVTWYVGFNACGG-UHFFFAOYSA-N	-1	3	359.411	1.783	20	10		FDCDHM
COc1ccc(N2CC[C@H](C[N-]S(=O)(=O)N=S(C)(C)=O)C2)cc1	ZINC000867428294	975238178	/nfs/dbraw/zinc/23/81/78/975238178.db2.gz	IUMDOOHVUTZCQY-GFCCVEGCSA-N	-1	3	361.489	1.084	20	10		FDCDHM
CO[C@@H]1CS(=O)(=O)C[C@@H]1NCc1cc(C)cc(Br)c1[O-]	ZINC000850361454	978336202	/nfs/dbraw/zinc/33/62/02/978336202.db2.gz	SAPPZBRALQFDHN-NWDGAFQWSA-N	-1	3	364.261	1.365	20	10		FDCDHM
O=C(C=Cc1ccc(O)c(O)c1)NCCOc1ccc(-c2nn[n-]n2)cc1	ZINC000826400633	983076623	/nfs/dbraw/zinc/07/66/23/983076623.db2.gz	DAPPSIHTWHQSRM-WAPJZHGLSA-N	-1	3	367.365	1.486	20	10		FDCDHM
C[C@H]1CN(Cc2c([O-])cccc2Br)CCN1S(C)(=O)=O	ZINC000862294035	984308887	/nfs/dbraw/zinc/30/88/87/984308887.db2.gz	VRBNKYKYBOUSQR-JTQLQIEISA-N	-1	3	363.277	1.620	20	10		FDCDHM
C[C@H]([NH2+]C[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O)c1cc(C(=O)[O-])ccc1[O-]	ZINC001593252388	994506595	/nfs/dbraw/zinc/50/65/95/994506595.db2.gz	RSLZFENYXFFILS-KWFDTGPKSA-N	-1	3	361.398	1.462	20	10		FDCDHM
CC(=O)c1cc(Cl)cc(CN(C)CC(=O)N2CCN(C)CC2)c1[O-]	ZINC000879354596	994811329	/nfs/dbraw/zinc/81/13/29/994811329.db2.gz	JRQORAYUXWQIKN-UHFFFAOYSA-N	-1	3	353.850	1.454	20	10		FDCDHM
O=C(CNC(=O)N1CCc2ccccc2C1)NCc1c([O-])cccc1F	ZINC000928706103	1001632284	/nfs/dbraw/zinc/63/22/84/1001632284.db2.gz	QGFLZUVMYBLTBU-UHFFFAOYSA-N	-1	3	357.385	1.915	20	10		FDCDHM
CC(=O)NC[C@H]1CCn2ncc(C(=O)NCc3c([O-])cccc3F)c2C1	ZINC000928707339	1001632538	/nfs/dbraw/zinc/63/25/38/1001632538.db2.gz	CUGWWJVXBDMBNZ-LBPRGKRZSA-N	-1	3	360.389	1.356	20	10		FDCDHM
O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)c1cccc2n[n-]nc21	ZINC000187462079	1005641722	/nfs/dbraw/zinc/64/17/22/1005641722.db2.gz	IIQZVBGUGMCOPP-UHFFFAOYSA-N	-1	3	371.422	1.445	20	10		FDCDHM
COC(=O)c1c(F)cccc1S(=O)(=O)[N-]Cc1ccc(OC)cc1O	ZINC000795356848	1006305184	/nfs/dbraw/zinc/30/51/84/1006305184.db2.gz	JNUPFMKUVRHPBY-UHFFFAOYSA-N	-1	3	369.370	1.805	20	10		FDCDHM
C[C@]1(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCCC[C@H]1O	ZINC000268745211	674098113	/nfs/dbraw/zinc/09/81/13/674098113.db2.gz	RIMJPIBEVOHHQD-GDBMZVCRSA-N	-1	3	356.444	1.435	20	10		FDCDHM
CCCS(=O)(=O)CCN(CC(=O)OC)Cc1cc(Cl)ccc1[O-]	ZINC000269611120	674110729	/nfs/dbraw/zinc/11/07/29/674110729.db2.gz	FCPHSSMDQAKVEG-UHFFFAOYSA-N	-1	3	363.863	1.845	20	10		FDCDHM
CCOC(=O)CC[C@@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000270870783	674280541	/nfs/dbraw/zinc/28/05/41/674280541.db2.gz	JDUVBAUVNDUVJA-SNVBAGLBSA-N	-1	3	358.416	1.225	20	10		FDCDHM
CO[C@]1(C)C[C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1(C)C	ZINC000271442079	674343492	/nfs/dbraw/zinc/34/34/92/674343492.db2.gz	VQAIQONSMGVTOX-XJKSGUPXSA-N	-1	3	356.444	1.697	20	10		FDCDHM
C[C@H](NC(=O)CNC(=O)CN(C)Cc1ccccc1[O-])c1ccc(F)cc1	ZINC000072629592	522339118	/nfs/dbraw/zinc/33/91/18/522339118.db2.gz	MVQCTDFXHBFWOC-AWEZNQCLSA-N	-1	3	373.428	1.957	20	10		FDCDHM
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CC[C@@H]1NC(=O)[N-]C1=O	ZINC000053640903	523480050	/nfs/dbraw/zinc/48/00/50/523480050.db2.gz	LMXOGKAKFVCWLG-INIZCTEOSA-N	-1	3	358.442	1.624	20	10		FDCDHM
Cc1cc(Br)cc(CN2CC[C@H](NS(C)(=O)=O)C2)c1[O-]	ZINC000180333221	525692730	/nfs/dbraw/zinc/69/27/30/525692730.db2.gz	WPJDAIJDVIYQTB-LBPRGKRZSA-N	-1	3	363.277	1.587	20	10		FDCDHM
CCN(C(=O)[C@H](C)N(C)Cc1ccccc1[O-])[C@@H]1CCS(=O)(=O)C1	ZINC000131589048	525875999	/nfs/dbraw/zinc/87/59/99/525875999.db2.gz	ZFKCLZFQFPNCOW-DZGCQCFKSA-N	-1	3	354.472	1.248	20	10		FDCDHM
C[C@H](C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)n1cncn1	ZINC000134268170	526141955	/nfs/dbraw/zinc/14/19/55/526141955.db2.gz	FWUJWUHINCJHJR-DOMZBBRYSA-N	-1	3	363.849	1.979	20	10		FDCDHM
O=C(c1cccc(O)c1[O-])N1CCN(Cc2cn3ccccc3n2)CC1	ZINC000192911541	537235942	/nfs/dbraw/zinc/23/59/42/537235942.db2.gz	DJGNXZNQXKKMAX-UHFFFAOYSA-N	-1	3	352.394	1.704	20	10		FDCDHM
COC(=O)NCCC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1	ZINC000363712261	537294325	/nfs/dbraw/zinc/29/43/25/537294325.db2.gz	TZTMPFQZLQPCEL-CQSZACIVSA-N	-1	3	369.849	1.872	20	10		FDCDHM
COCCN(Cc1cc(Cl)cc(OC)c1[O-])[C@@H]1CCS(=O)(=O)C1	ZINC000290568447	537372823	/nfs/dbraw/zinc/37/28/23/537372823.db2.gz	SWZZBOBSMKZCPN-CYBMUJFWSA-N	-1	3	363.863	1.690	20	10		FDCDHM
NC(=O)c1ccccc1N1CCC[C@H](NC(=O)c2cccc(O)c2[O-])C1	ZINC000364820456	537399144	/nfs/dbraw/zinc/39/91/44/537399144.db2.gz	ZOAYBYFLGWDIFT-LBPRGKRZSA-N	-1	3	355.394	1.596	20	10		FDCDHM
CCOC(=O)[C@@H]1CCCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000271339635	537423712	/nfs/dbraw/zinc/42/37/12/537423712.db2.gz	WKLVBUWUURPUMM-ZDUSSCGKSA-N	-1	3	370.427	1.322	20	10		FDCDHM
O=C(N[C@H](Cc1ccccc1)C(=O)N1CCOCC1)c1cccc(O)c1[O-]	ZINC000280584250	537434238	/nfs/dbraw/zinc/43/42/38/537434238.db2.gz	WXRNVUAJQHHZHS-MRXNPFEDSA-N	-1	3	370.405	1.298	20	10		FDCDHM
C[C@]1(C[C@@H]2CCCN2C(=O)C=Cc2ccc(O)c(O)c2)NC(=O)[N-]C1=O	ZINC000287910246	537447517	/nfs/dbraw/zinc/44/75/17/537447517.db2.gz	POVCBDCQZPMBSE-XVKJMYNKSA-N	-1	3	359.382	1.090	20	10		FDCDHM
CCn1nc(C)c(C(=O)N(CC(=O)OC)Cc2cc(Cl)ccc2[O-])n1	ZINC000293469387	537475783	/nfs/dbraw/zinc/47/57/83/537475783.db2.gz	MAIHWNGDUVBTKB-UHFFFAOYSA-N	-1	3	366.805	1.781	20	10		FDCDHM
O=C(c1cccc(O)c1[O-])N1CCn2c(Cc3ccccc3)nnc2C1	ZINC000365556349	537547742	/nfs/dbraw/zinc/54/77/42/537547742.db2.gz	JQLPIFMQLFVPQF-UHFFFAOYSA-N	-1	3	350.378	1.936	20	10		FDCDHM
CCOC(=O)[C@]1(COC)CCCN(C(=O)c2ccc(C)c(O)c2[O-])C1	ZINC000281563745	537563619	/nfs/dbraw/zinc/56/36/19/537563619.db2.gz	LCFDNOURIRMRJW-GOSISDBHSA-N	-1	3	351.399	1.838	20	10		FDCDHM
COc1cc(Br)cc(CN2CC[C@H]3OCC(=O)N[C@H]3C2)c1[O-]	ZINC000370716641	538091489	/nfs/dbraw/zinc/09/14/89/538091489.db2.gz	NKNDUFTYZISEGF-NWDGAFQWSA-N	-1	3	371.231	1.253	20	10		FDCDHM
NC(=O)[C@@H]1CCCN(c2ccc(CN[C@H](C(=O)[O-])c3cccnc3)cc2)C1	ZINC000833082059	604995104	/nfs/dbraw/zinc/99/51/04/604995104.db2.gz	ZNPUCZVVHGBASJ-AEFFLSMTSA-N	-1	3	368.437	1.699	20	10		FDCDHM
Cc1cc(C(=O)NCC2(O)CCC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1	ZINC000822175934	606022055	/nfs/dbraw/zinc/02/20/55/606022055.db2.gz	BWOCOVZZFAVBTP-UHFFFAOYSA-N	-1	3	366.425	1.919	20	10		FDCDHM
CN(CCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)Cc1ccccc1O	ZINC000821605198	606188021	/nfs/dbraw/zinc/18/80/21/606188021.db2.gz	ZGIONXWULNWXBA-UHFFFAOYSA-N	-1	3	373.438	1.478	20	10		FDCDHM
COc1ccc(N2CCN(C(=O)c3cc(-c4nnn[n-]4)cs3)CC2)cc1	ZINC000821831968	606478523	/nfs/dbraw/zinc/47/85/23/606478523.db2.gz	VBTDKJNJKGNDIR-UHFFFAOYSA-N	-1	3	370.438	1.899	20	10		FDCDHM
COc1ccc(N2CCN(C(=O)c3cc(-c4nn[n-]n4)cs3)CC2)cc1	ZINC000821831968	606478526	/nfs/dbraw/zinc/47/85/26/606478526.db2.gz	VBTDKJNJKGNDIR-UHFFFAOYSA-N	-1	3	370.438	1.899	20	10		FDCDHM
CN(C)c1ccc(CNC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1	ZINC000825879683	609185988	/nfs/dbraw/zinc/18/59/88/609185988.db2.gz	NYEPNRUNAPJBEP-MRXNPFEDSA-N	-1	3	352.398	1.283	20	10		FDCDHM
CN(C)c1ccc(CNC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1	ZINC000825879683	609185990	/nfs/dbraw/zinc/18/59/90/609185990.db2.gz	NYEPNRUNAPJBEP-MRXNPFEDSA-N	-1	3	352.398	1.283	20	10		FDCDHM
CC[C@]1(CO)CCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1	ZINC000275263233	674618515	/nfs/dbraw/zinc/61/85/15/674618515.db2.gz	ZEXMJOPFHQCFEC-INIZCTEOSA-N	-1	3	356.444	1.388	20	10		FDCDHM
CN1CCN(C)[C@H](CNC(=O)NCc2cccc(Br)c2[O-])C1	ZINC000277491973	674954217	/nfs/dbraw/zinc/95/42/17/674954217.db2.gz	QMYQBTQDDWFKSI-GFCCVEGCSA-N	-1	3	371.279	1.200	20	10		FDCDHM
CC(C)[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1nncn1C	ZINC000286499907	675896572	/nfs/dbraw/zinc/89/65/72/675896572.db2.gz	RBQHYSAQNWWZRD-ZDUSSCGKSA-N	-1	3	367.431	1.019	20	10		FDCDHM
CC(C)(CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccccn1	ZINC000295718410	676409501	/nfs/dbraw/zinc/40/95/01/676409501.db2.gz	LLLCVIDSUJNLHH-UHFFFAOYSA-N	-1	3	363.439	1.866	20	10		FDCDHM
COc1c([O-])c(CN2CC[C@@H](S(=O)(=O)NC(C)C)C2)ccc1[N+](=O)[O-]	ZINC000365804551	677383385	/nfs/dbraw/zinc/38/33/85/677383385.db2.gz	FXHORZVRQDMZNH-GFCCVEGCSA-N	-1	3	373.431	1.211	20	10		FDCDHM
CC1(C)CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])[C@@H]2CCC[C@H]2O1	ZINC000369712870	677512178	/nfs/dbraw/zinc/51/21/78/677512178.db2.gz	QMFNBUWXQOSCIJ-UKRRQHHQSA-N	-1	3	368.455	1.936	20	10		FDCDHM
COc1c([O-])c(CN2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)ccc1[N+](=O)[O-]	ZINC000375384875	678100895	/nfs/dbraw/zinc/10/08/95/678100895.db2.gz	SITKKPSXWPUCHS-RKDXNWHRSA-N	-1	3	363.292	1.405	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCc2cnc3n2CCCC3)c1	ZINC000377168793	678471248	/nfs/dbraw/zinc/47/12/48/678471248.db2.gz	SWKBGRIQIYBDFM-UHFFFAOYSA-N	-1	3	364.427	1.227	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCc2ccc(CO)c(F)c2)c1	ZINC000728209159	770585419	/nfs/dbraw/zinc/58/54/19/770585419.db2.gz	FYEFNIGYKXYOQJ-UHFFFAOYSA-N	-1	3	368.386	1.325	20	10		FDCDHM
O=C(NCc1ccc(N2CCOCC2)cc1)c1cc(F)cc2n[n-]nc21	ZINC000277762492	783228678	/nfs/dbraw/zinc/22/86/78/783228678.db2.gz	SIHDQMWXIASPHN-UHFFFAOYSA-N	-1	3	355.373	1.864	20	10		FDCDHM
COc1cc(OC)cc(N2CC[C@H](NC(=O)c3cccc(O)c3[O-])C2=O)c1	ZINC000279370555	808952982	/nfs/dbraw/zinc/95/29/82/808952982.db2.gz	UBZLFJDTUXVNEM-HNNXBMFYSA-N	-1	3	372.377	1.650	20	10		FDCDHM
[O-]c1c(Br)cc(Br)cc1CN[C@H]1CNOC1	ZINC000904425729	851210749	/nfs/dbraw/zinc/21/07/49/851210749.db2.gz	XEKOMAALVWCVGD-QMMMGPOBSA-N	-1	3	352.026	1.910	20	10		FDCDHM
CN(C)c1ccc([C@H](C[N-]S(=O)(=O)c2cccnc2F)N(C)C)cc1	ZINC000908460750	855446644	/nfs/dbraw/zinc/44/66/44/855446644.db2.gz	YXVRHHMOPINBQW-HNNXBMFYSA-N	-1	3	366.462	1.868	20	10		FDCDHM
C[C@H](CNc1ccccc1)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000762560035	876105399	/nfs/dbraw/zinc/10/53/99/876105399.db2.gz	QQNUGADUPXAMGF-GFCCVEGCSA-N	-1	3	363.439	1.994	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCc2ccn3ccnc3c2)c1	ZINC000762577934	876168237	/nfs/dbraw/zinc/16/82/37/876168237.db2.gz	BJQBLWGOCNJMPN-UHFFFAOYSA-N	-1	3	360.395	1.341	20	10		FDCDHM
O=C(NCc1c([O-])cccc1F)N[C@H]1CCC(=O)N[C@@H]1[C@H]1CCCO1	ZINC000922518366	878436682	/nfs/dbraw/zinc/43/66/82/878436682.db2.gz	KWXLSULIJWONRA-BJJXKVORSA-N	-1	3	351.378	1.157	20	10		FDCDHM
CN(Cc1c([O-])cccc1Br)[C@H]1CCN(S(C)(=O)=O)C1	ZINC000707156907	886771332	/nfs/dbraw/zinc/77/13/32/886771332.db2.gz	XTOFIQDVMBIJMF-JTQLQIEISA-N	-1	3	363.277	1.620	20	10		FDCDHM
CCOC(=O)C1CCN(S(=O)(=O)NCc2c([O-])cccc2F)CC1	ZINC000921452590	888015767	/nfs/dbraw/zinc/01/57/67/888015767.db2.gz	SXNBFCHMAXJMJQ-UHFFFAOYSA-N	-1	3	360.407	1.141	20	10		FDCDHM
O=C(c1cccc(O)c1[O-])N1CCN(Cc2nc3ccccc3[nH]2)CC1	ZINC000185880400	901792517	/nfs/dbraw/zinc/79/25/17/901792517.db2.gz	ZPZAFIISZKZHTE-UHFFFAOYSA-N	-1	3	352.394	1.932	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCC(=O)c2cccs2)c1	ZINC000770141916	929879950	/nfs/dbraw/zinc/87/99/50/929879950.db2.gz	QQCUAQOZEGLYCW-UHFFFAOYSA-N	-1	3	354.409	1.438	20	10		FDCDHM
CNS(=O)(=O)c1cccc([C@H](C)NC(=O)c2cccc(O)c2[O-])c1	ZINC000790632050	933633340	/nfs/dbraw/zinc/63/33/40/933633340.db2.gz	SZCOAPWYOJZKCX-JTQLQIEISA-N	-1	3	350.396	1.497	20	10		FDCDHM
COC(=O)c1cc(C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)c[n-]1	ZINC000814531749	941666325	/nfs/dbraw/zinc/66/63/25/941666325.db2.gz	VYITVEGVCZLSFF-UHFFFAOYSA-N	-1	3	373.409	1.683	20	10		FDCDHM
CC(C)NC(=O)C(=O)N1CCN(Cc2ccc3ccccc3c2[O-])CC1	ZINC000816482555	942215461	/nfs/dbraw/zinc/21/54/61/942215461.db2.gz	KGCUQFDIEBIVKK-UHFFFAOYSA-N	-1	3	355.438	1.714	20	10		FDCDHM
Cc1ccc(OCCN(C)Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)cc1	ZINC000846233371	950759621	/nfs/dbraw/zinc/75/96/21/950759621.db2.gz	ISVBIQIGRMGLDG-UHFFFAOYSA-N	-1	3	356.382	1.952	20	10		FDCDHM
CCN(CC)c1ccnc([C@@H]2COCCN2C(=O)c2cccc(O)c2[O-])n1	ZINC001148213847	952648461	/nfs/dbraw/zinc/64/84/61/952648461.db2.gz	KTBXMBLLFNQFMF-AWEZNQCLSA-N	-1	3	372.425	1.948	20	10		FDCDHM
O=C(c1cccc(O)c1[O-])N1Cc2cncn2C[C@@H](COCC2CC2)C1	ZINC001148214156	952648840	/nfs/dbraw/zinc/64/88/40/952648840.db2.gz	OUGMCHZCRIPADO-AWEZNQCLSA-N	-1	3	357.410	1.993	20	10		FDCDHM
O=C(C[C@H]1OC[C@H]2CN(C(=O)c3cccc(O)c3[O-])CC[C@@H]12)NC1CCC1	ZINC001148214730	952649401	/nfs/dbraw/zinc/64/94/01/952649401.db2.gz	WEHBTGXVAKZVMA-SUYBPPKGSA-N	-1	3	374.437	1.634	20	10		FDCDHM
O=C(C[C@@H]1COC[C@H]2CN(C(=O)c3cccc(O)c3[O-])C[C@H]21)NCC1CC1	ZINC001148214716	952649431	/nfs/dbraw/zinc/64/94/31/952649431.db2.gz	VPUDGIWZNGZFIC-FMKPAKJESA-N	-1	3	374.437	1.349	20	10		FDCDHM
CCOC(=O)c1ncn2c1cccc2NC(=O)c1cc(O)c([O-])c(O)c1	ZINC001148581132	952757077	/nfs/dbraw/zinc/75/70/77/952757077.db2.gz	LPSRGXJIGSIHEE-UHFFFAOYSA-N	-1	3	357.322	1.880	20	10		FDCDHM
O=C(c1cc(O)c([O-])c(O)c1)N1CC[C@H]2[C@H]1CC(=O)N2Cc1cccnc1	ZINC001148582277	952757120	/nfs/dbraw/zinc/75/71/20/952757120.db2.gz	IGQILJZSAPHJHW-UONOGXRCSA-N	-1	3	369.377	1.214	20	10		FDCDHM
O=C(c1cc(O)c([O-])c(O)c1)N1CC[C@H]2[C@H]1CCN2Cc1cccnc1	ZINC001148582856	952757723	/nfs/dbraw/zinc/75/77/23/952757723.db2.gz	NSYDADNTWUNXEW-LSDHHAIUSA-N	-1	3	355.394	1.687	20	10		FDCDHM
CC(C)(C)C(=O)CN1CCC(NC(=O)c2cc(O)c([O-])c(O)c2)CC1	ZINC001148590064	952761217	/nfs/dbraw/zinc/76/12/17/952761217.db2.gz	AMKYRMUBILEOAK-UHFFFAOYSA-N	-1	3	350.415	1.613	20	10		FDCDHM
CN(C)c1ccc([C@H](CNC(=O)NCCCCC(=O)[O-])N(C)C)cc1	ZINC001339928357	962087925	/nfs/dbraw/zinc/08/79/25/962087925.db2.gz	YMTVLVBWRCAAEH-INIZCTEOSA-N	-1	3	350.463	1.909	20	10		FDCDHM
O=C(Cc1nnc(Cc2ccccc2)[nH]1)NCC(=O)c1ccc([O-])c(O)c1	ZINC001178419966	964233026	/nfs/dbraw/zinc/23/30/26/964233026.db2.gz	YPHDHINVBIEWOF-UHFFFAOYSA-N	-1	3	366.377	1.348	20	10		FDCDHM
O=C(Cc1n[nH]c(Cc2ccccc2)n1)NCC(=O)c1ccc([O-])c(O)c1	ZINC001178419966	964233038	/nfs/dbraw/zinc/23/30/38/964233038.db2.gz	YPHDHINVBIEWOF-UHFFFAOYSA-N	-1	3	366.377	1.348	20	10		FDCDHM
O=C(/C=C/c1ccc(O)c(O)c1)Nc1ncc(Br)[n-]c1=O	ZINC001179689411	964944491	/nfs/dbraw/zinc/94/44/91/964944491.db2.gz	ONEALVLUZKAGPS-DUXPYHPUSA-N	-1	3	352.144	1.596	20	10		FDCDHM
COC(=O)c1cc([O-])c(F)cc1NC(=O)c1cc(O)c(O)c(OC)c1	ZINC001193104971	969471879	/nfs/dbraw/zinc/47/18/79/969471879.db2.gz	UQORPDHHPJHZFT-UHFFFAOYSA-N	-1	3	351.286	1.990	20	10		FDCDHM
CCOC(=O)C1(NC(=O)c2cc(O)c([O-])c(Cl)c2)CCN(C)CC1	ZINC001193625966	969773776	/nfs/dbraw/zinc/77/37/76/969773776.db2.gz	QCFAVPPXOLKGNB-UHFFFAOYSA-N	-1	3	356.806	1.509	20	10		FDCDHM
C[C@@]12COC[C@]1(C)CN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C2	ZINC000855542589	970484391	/nfs/dbraw/zinc/48/43/91/970484391.db2.gz	KFJFEOPYSACTSF-IYBDPMFKSA-N	-1	3	354.428	1.262	20	10		FDCDHM
Cc1cc(Br)c([O-])c(CN2CCN(c3nncn3C)CC2)c1	ZINC000848925617	977240372	/nfs/dbraw/zinc/24/03/72/977240372.db2.gz	ZAUDOPPZOGQXMN-UHFFFAOYSA-N	-1	3	366.263	1.914	20	10		FDCDHM
COCCN1CCCN(Cc2c([O-])cccc2Br)CC1=O	ZINC000862338347	984340969	/nfs/dbraw/zinc/34/09/69/984340969.db2.gz	AJDQUGBBSWZVNJ-UHFFFAOYSA-N	-1	3	357.248	1.835	20	10		FDCDHM
Cc1nc2n(c1CN1CCN(C(=O)c3cccc(O)c3[O-])CC1)CCCC2	ZINC000365548882	990287098	/nfs/dbraw/zinc/28/70/98/990287098.db2.gz	AUAQHAPYANVCIB-UHFFFAOYSA-N	-1	3	370.453	1.897	20	10		FDCDHM
C[C@@H](N[C@@H]1CCN(CCC(=O)[O-])C1=O)c1ccc(N2CCOCC2)cc1	ZINC001593218036	994279033	/nfs/dbraw/zinc/27/90/33/994279033.db2.gz	DTJUDBCMEDXGRY-RHSMWYFYSA-N	-1	3	361.442	1.249	20	10		FDCDHM
CC(=O)c1cc(F)cc(CN2C[C@]3(C)CS(=O)(=O)C[C@]3(C)C2)c1[O-]	ZINC000880016940	995548088	/nfs/dbraw/zinc/54/80/88/995548088.db2.gz	WKKKBRGFDCAGDJ-CALCHBBNSA-N	-1	3	355.431	1.991	20	10		FDCDHM
COC(=O)/C=C\c1ccc(N2CCN(C)C[C@H](C(=O)[O-])C2)c([N+](=O)[O-])c1	ZINC001598834607	996472236	/nfs/dbraw/zinc/47/22/36/996472236.db2.gz	LMULTSCFOYYRIB-AGLBCWCQSA-N	-1	3	363.370	1.234	20	10		FDCDHM
Cc1cc(=O)[n-]c(N2CCN(Cc3ccc(N4CCOCC4)cc3)CC2)n1	ZINC000931747761	1004471486	/nfs/dbraw/zinc/47/14/86/1004471486.db2.gz	DLUPRCGCRIOPCH-UHFFFAOYSA-N	-1	3	369.469	1.649	20	10		FDCDHM
CN(C)c1cccc(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])n1	ZINC000270147379	674171431	/nfs/dbraw/zinc/17/14/31/674171431.db2.gz	RBGKTFKMZSQZDS-UHFFFAOYSA-N	-1	3	364.427	1.155	20	10		FDCDHM
NS(=O)(=O)C[C@H]1CCCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1	ZINC000271169545	674317692	/nfs/dbraw/zinc/31/76/92/674317692.db2.gz	IJVUWPBIZVPVHC-VIFPVBQESA-N	-1	3	363.823	1.454	20	10		FDCDHM
CC[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@H](O)C(F)(F)F	ZINC000271355666	674336073	/nfs/dbraw/zinc/33/60/73/674336073.db2.gz	DHGYJVHMWGNRSQ-ONGXEEELSA-N	-1	3	370.349	1.195	20	10		FDCDHM
CN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C1CCC(CO)CC1	ZINC000271358015	674336332	/nfs/dbraw/zinc/33/63/32/674336332.db2.gz	HXUBSELHKKWDTK-UHFFFAOYSA-N	-1	3	356.444	1.387	20	10		FDCDHM
COC(=O)CCNC(=O)CN(Cc1ccccc1[O-])C[C@H]1CCCO1	ZINC000070976586	522068796	/nfs/dbraw/zinc/06/87/96/522068796.db2.gz	INCMVSWBFZVSFU-OAHLLOKOSA-N	-1	3	350.415	1.053	20	10		FDCDHM
COC(=O)CN(CCCN1CCOCC1)Cc1cc(Cl)ccc1[O-]	ZINC000072629878	522340359	/nfs/dbraw/zinc/34/03/59/522340359.db2.gz	CNSMHGUWKICOFG-UHFFFAOYSA-N	-1	3	356.850	1.743	20	10		FDCDHM
O=C1NC[C@@H]2CN(Cc3cc(-c4ccccc4)ccc3[O-])CCN2C1=O	ZINC000091866220	524804195	/nfs/dbraw/zinc/80/41/95/524804195.db2.gz	NTEQLQGMDCZIPP-QGZVFWFLSA-N	-1	3	351.406	1.202	20	10		FDCDHM
CC(=O)c1cc(F)cc(CN2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1[O-]	ZINC000162633084	525289353	/nfs/dbraw/zinc/28/93/53/525289353.db2.gz	GSEDNNPCDBMQQQ-KRWDZBQOSA-N	-1	3	363.433	1.472	20	10		FDCDHM
CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)Cc2cc(F)ccc2[O-])C1	ZINC000180057672	525657193	/nfs/dbraw/zinc/65/71/93/525657193.db2.gz	JEZCMYPMFKOLNE-CYBMUJFWSA-N	-1	3	352.406	1.765	20	10		FDCDHM
O=S(=O)(Cc1ccon1)N1CCN(Cc2cc(F)ccc2[O-])CC1	ZINC000180214204	525674743	/nfs/dbraw/zinc/67/47/43/525674743.db2.gz	ARUHCNIYIWYAOL-UHFFFAOYSA-N	-1	3	355.391	1.167	20	10		FDCDHM
CS(=O)(=O)CCC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1	ZINC000134261583	526140190	/nfs/dbraw/zinc/14/01/90/526140190.db2.gz	KZVYPHRWOWZDCY-CQSZACIVSA-N	-1	3	374.890	1.561	20	10		FDCDHM
O=C(CN1CCCC1=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1	ZINC000134262194	526141136	/nfs/dbraw/zinc/14/11/36/526141136.db2.gz	XDCDDYOLZUNBGE-HNNXBMFYSA-N	-1	3	365.861	1.749	20	10		FDCDHM
CN1CCO[C@@H](C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)C1	ZINC000134267034	526142949	/nfs/dbraw/zinc/14/29/49/526142949.db2.gz	JAWLPHASPCBPAF-NVXWUHKLSA-N	-1	3	367.877	1.457	20	10		FDCDHM
CCS(=O)(=O)CC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1	ZINC000134266830	526144031	/nfs/dbraw/zinc/14/40/31/526144031.db2.gz	ZMYRPIMMMFJKDW-CQSZACIVSA-N	-1	3	374.890	1.561	20	10		FDCDHM
CC(=O)c1cc(F)cc(CN2CC[C@@H](S(=O)(=O)NC(C)C)C2)c1[O-]	ZINC000134319110	526148464	/nfs/dbraw/zinc/14/84/64/526148464.db2.gz	FMZFKQAXIQUJMJ-CQSZACIVSA-N	-1	3	358.435	1.636	20	10		FDCDHM
COc1cc(Cl)cc(CN2CCN(C(=O)[C@H]3CCCO3)CC2)c1[O-]	ZINC000184673537	536175267	/nfs/dbraw/zinc/17/52/67/536175267.db2.gz	VVILCHNFKBYTPM-CQSZACIVSA-N	-1	3	354.834	1.877	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCOC3(CCCCC3)C2)c1	ZINC000266569993	536905920	/nfs/dbraw/zinc/90/59/20/536905920.db2.gz	RNHYETCUNOBLLS-UHFFFAOYSA-N	-1	3	368.455	1.939	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC(c3ncc[nH]3)CC2)c1	ZINC000263777891	537097434	/nfs/dbraw/zinc/09/74/34/537097434.db2.gz	JYCSHVUWAYQJOJ-UHFFFAOYSA-N	-1	3	364.427	1.507	20	10		FDCDHM
CCn1cc([C@@H]2CS(=O)(=O)CCN2Cc2cc(F)ccc2[O-])cn1	ZINC000290429772	537349792	/nfs/dbraw/zinc/34/97/92/537349792.db2.gz	LFQNBFWTQBGNIN-HNNXBMFYSA-N	-1	3	353.419	1.719	20	10		FDCDHM
C[C@H](O)C[C@@H]1CCCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000279587964	537350223	/nfs/dbraw/zinc/35/02/23/537350223.db2.gz	FIIHXRMHUHUUBT-AAEUAGOBSA-N	-1	3	356.444	1.529	20	10		FDCDHM
Cc1cc(Br)cc(CN2CCN(C(C)(C)C(N)=O)CC2)c1[O-]	ZINC000271790784	537495701	/nfs/dbraw/zinc/49/57/01/537495701.db2.gz	JDAJAIHNJMEKRI-UHFFFAOYSA-N	-1	3	370.291	1.845	20	10		FDCDHM
Cc1ccc(C(=O)NC[C@@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2)c([O-])c1O	ZINC000365246804	568357933	/nfs/dbraw/zinc/35/79/33/568357933.db2.gz	QRFCXVLJRLZSPG-XHDPSFHLSA-N	-1	3	358.398	1.089	20	10		FDCDHM
COC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N(C)Cc1ccccc1O	ZINC000736901408	598864341	/nfs/dbraw/zinc/86/43/41/598864341.db2.gz	KUPQALKKFQXORS-MRXNPFEDSA-N	-1	3	353.382	1.918	20	10		FDCDHM
O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(-c2nnn[n-]2)[nH]1	ZINC000826442074	607701589	/nfs/dbraw/zinc/70/15/89/607701589.db2.gz	IAUJSXKULNQRJP-UHFFFAOYSA-N	-1	3	371.376	1.101	20	10		FDCDHM
O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(-c2nn[n-]n2)[nH]1	ZINC000826442074	607701592	/nfs/dbraw/zinc/70/15/92/607701592.db2.gz	IAUJSXKULNQRJP-UHFFFAOYSA-N	-1	3	371.376	1.101	20	10		FDCDHM
NC(=O)[C@@H]1CCCN(c2ccc(CN[C@@H](C(=O)[O-])c3cccnc3)cc2)C1	ZINC000833082061	604995060	/nfs/dbraw/zinc/99/50/60/604995060.db2.gz	ZNPUCZVVHGBASJ-SJLPKXTDSA-N	-1	3	368.437	1.699	20	10		FDCDHM
COc1cc(O)c(CN(C)CCN2CCN(C(=O)[O-])CC2)cc1OC	ZINC000833888038	605991259	/nfs/dbraw/zinc/99/12/59/605991259.db2.gz	RCBFPZNVLCGFOZ-UHFFFAOYSA-N	-1	3	353.419	1.137	20	10		FDCDHM
O=C(CSc1ccc(-c2nnn[n-]2)cc1)NCCc1ccc(O)c(O)c1	ZINC000823066322	607192210	/nfs/dbraw/zinc/19/22/10/607192210.db2.gz	UXIYBRNITJQCPY-UHFFFAOYSA-N	-1	3	371.422	1.729	20	10		FDCDHM
O=C(CSc1ccc(-c2nn[n-]n2)cc1)NCCc1ccc(O)c(O)c1	ZINC000823066322	607192211	/nfs/dbraw/zinc/19/22/11/607192211.db2.gz	UXIYBRNITJQCPY-UHFFFAOYSA-N	-1	3	371.422	1.729	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCOC[C@@H]2CC(F)F)c1	ZINC000286691359	675898941	/nfs/dbraw/zinc/89/89/41/675898941.db2.gz	JJXHGZDKTXAMPB-JTQLQIEISA-N	-1	3	364.370	1.260	20	10		FDCDHM
CC(=O)c1cc(Cl)cc(CN(C)C[C@@H](O)CN2CCOCC2)c1[O-]	ZINC000083244704	671472715	/nfs/dbraw/zinc/47/27/15/671472715.db2.gz	SGASSYNYQRFBHB-OAHLLOKOSA-N	-1	3	356.850	1.373	20	10		FDCDHM
Cn1nc2c(cc1=O)CN(Cc1cccc(Br)c1[O-])CC2	ZINC000093756474	671522516	/nfs/dbraw/zinc/52/25/16/671522516.db2.gz	LAQMBLIFMVHGDG-UHFFFAOYSA-N	-1	3	350.216	1.807	20	10		FDCDHM
Cc1n[nH]cc1CCCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000263943580	672894600	/nfs/dbraw/zinc/89/46/00/672894600.db2.gz	ICYZDWAPDDKXDL-UHFFFAOYSA-N	-1	3	352.416	1.158	20	10		FDCDHM
CC(=O)c1cc(F)cc(CN2CC[S@](=O)C[C@@H]2c2cnn(C)c2)c1[O-]	ZINC000279389103	675287638	/nfs/dbraw/zinc/28/76/38/675287638.db2.gz	YOGBEKBSEXVSCX-CPJLOUKISA-N	-1	3	365.430	1.773	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC[C@@H](n3cccn3)C2)c1	ZINC000291083779	676243179	/nfs/dbraw/zinc/24/31/79/676243179.db2.gz	CEWKRZBMWBXMOX-GFCCVEGCSA-N	-1	3	350.400	1.047	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCOC[C@H](C3CCC3)C2)c1	ZINC000293613231	676357742	/nfs/dbraw/zinc/35/77/42/676357742.db2.gz	CUUKSDXRTKNVGL-CYBMUJFWSA-N	-1	3	368.455	1.652	20	10		FDCDHM
C[C@@]12CCN(C(=O)c3cc(NS(C)(=O)=O)ccc3[O-])C[C@@H]1C2(F)F	ZINC000293960981	676372265	/nfs/dbraw/zinc/37/22/65/676372265.db2.gz	JKVVHQHWBOMCAV-GXTWGEPZSA-N	-1	3	360.382	1.881	20	10		FDCDHM
CS(=O)(=O)NCC1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1	ZINC000294840722	676397722	/nfs/dbraw/zinc/39/77/22/676397722.db2.gz	ZDJAWKVUFKBJDA-UHFFFAOYSA-N	-1	3	350.843	1.946	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC[C@H](c3ccco3)C2)c1	ZINC000363524427	676959566	/nfs/dbraw/zinc/95/95/66/676959566.db2.gz	UYUDDYSDQWIBAV-NSHDSACASA-N	-1	3	350.396	1.986	20	10		FDCDHM
COCCS(=O)(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1	ZINC000364430896	677017482	/nfs/dbraw/zinc/01/74/82/677017482.db2.gz	RFZUVNDOGNMVBY-CQSZACIVSA-N	-1	3	362.879	1.576	20	10		FDCDHM
CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000370378867	677570986	/nfs/dbraw/zinc/57/09/86/677570986.db2.gz	AIPAAKXHWJIBNP-JXNBKPOHSA-N	-1	3	366.439	1.259	20	10		FDCDHM
C[C@@]1(C2CC2)COCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000890584578	770020808	/nfs/dbraw/zinc/02/08/08/770020808.db2.gz	FDUSJYSZRXEUCY-INIZCTEOSA-N	-1	3	354.428	1.405	20	10		FDCDHM
O=C(CN1CCN(C(=O)c2cccc(O)c2[O-])CC1)Nc1ccccc1	ZINC000274917369	770995273	/nfs/dbraw/zinc/99/52/73/770995273.db2.gz	WGXIJHZJDGODOA-UHFFFAOYSA-N	-1	3	355.394	1.494	20	10		FDCDHM
COC(=O)c1ccc([O-])c([C@@H](C)Nc2cnn(CC(=O)NC3CC3)c2)c1	ZINC000273471247	814795196	/nfs/dbraw/zinc/79/51/96/814795196.db2.gz	RZRPSYCEVKAGBC-LLVKDONJSA-N	-1	3	358.398	1.827	20	10		FDCDHM
CO[C@@H]1CS(=O)(=O)C[C@@H]1NCc1cccc(Br)c1[O-]	ZINC000697291296	832023786	/nfs/dbraw/zinc/02/37/86/832023786.db2.gz	XDKSPRUWOMKVGA-WDEREUQCSA-N	-1	3	350.234	1.056	20	10		FDCDHM
CN(C)c1ccc([C@H](CNC(=O)C[C@]2(C(=O)[O-])CCOC2)N(C)C)cc1	ZINC000899854267	846787634	/nfs/dbraw/zinc/78/76/34/846787634.db2.gz	HYOVQGQYPAWIKC-QFBILLFUSA-N	-1	3	363.458	1.353	20	10		FDCDHM
Cc1c(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)nnn1C	ZINC000771058579	930406924	/nfs/dbraw/zinc/40/69/24/930406924.db2.gz	NMTMLSOAXAOGNB-CQSZACIVSA-N	-1	3	363.849	1.877	20	10		FDCDHM
O=C(c1cccc(O)c1[O-])N1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000790465842	933577687	/nfs/dbraw/zinc/57/76/87/933577687.db2.gz	IWIHDOTYUSOTCH-UHFFFAOYSA-N	-1	3	362.407	1.245	20	10		FDCDHM
CN1C(=S)N=NC1Cc1csc(NC(=O)c2cccc(O)c2[O-])n1	ZINC000790525974	933591342	/nfs/dbraw/zinc/59/13/42/933591342.db2.gz	ROXJIQITHKMSMO-UHFFFAOYSA-N	-1	3	363.424	1.815	20	10		FDCDHM
O=C(N[C@H](C(=O)Nc1cn[nH]c1)c1ccccc1)c1cccc(O)c1[O-]	ZINC000790903362	933788127	/nfs/dbraw/zinc/78/81/27/933788127.db2.gz	AZXILMVHMHJVLB-HNNXBMFYSA-N	-1	3	352.350	1.931	20	10		FDCDHM
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C	ZINC000808097152	940518460	/nfs/dbraw/zinc/51/84/60/940518460.db2.gz	RXVNRNRBQCGQFQ-CQSZACIVSA-N	-1	3	363.476	1.458	20	10		FDCDHM
CC1(C)CCC(O)(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1	ZINC000856070788	970882852	/nfs/dbraw/zinc/88/28/52/970882852.db2.gz	WGQJPRANWGLPGL-UHFFFAOYSA-N	-1	3	370.471	1.825	20	10		FDCDHM
COc1ccc(N2CC[C@H](CNC(=O)Cc3c(C)nc(C)[n-]c3=O)C2)cc1	ZINC000819582076	943634135	/nfs/dbraw/zinc/63/41/35/943634135.db2.gz	DIFSKTKTOQHUNH-OAHLLOKOSA-N	-1	3	370.453	1.993	20	10		FDCDHM
COc1ccc(N(C)CCN(C)C(=O)Cc2c(C)nc(C)[n-]c2=O)cc1	ZINC000846446169	951066488	/nfs/dbraw/zinc/06/64/88/951066488.db2.gz	JSMBNIDRQYRLBJ-UHFFFAOYSA-N	-1	3	358.442	1.945	20	10		FDCDHM
COC(=O)c1cc([O-])c(F)cc1NC(=O)CN1C(=O)CSC1=S	ZINC001144847458	951205077	/nfs/dbraw/zinc/20/50/77/951205077.db2.gz	PURAZZZPRVOQNM-UHFFFAOYSA-N	-1	3	358.372	1.117	20	10		FDCDHM
O=C(c1cc(O)c([O-])c(O)c1)N1CCC2(CCCN2c2ncccn2)CC1	ZINC001148582565	952757085	/nfs/dbraw/zinc/75/70/85/952757085.db2.gz	LCNJSFGHGRVUNZ-UHFFFAOYSA-N	-1	3	370.409	1.869	20	10		FDCDHM
O=C(c1cc(O)c([O-])c(O)c1)N1Cc2cncn2C[C@@H](COCC2CC2)C1	ZINC001148582558	952757206	/nfs/dbraw/zinc/75/72/06/952757206.db2.gz	KWGJLLYAPMCFIG-ZDUSSCGKSA-N	-1	3	373.409	1.699	20	10		FDCDHM
CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)c2cc(O)c([O-])c(O)c2)CCO1	ZINC001148584116	952757830	/nfs/dbraw/zinc/75/78/30/952757830.db2.gz	OPDMFRFKWFZXJN-NSHDSACASA-N	-1	3	368.386	1.169	20	10		FDCDHM
O=C(c1cc(O)c([O-])c(O)c1)N1C[C@@H]2C[C@H]1CN(C(=O)c1ccco1)C2	ZINC001148584076	952757874	/nfs/dbraw/zinc/75/78/74/952757874.db2.gz	NEKQFQWABRWCSC-PWSUYJOCSA-N	-1	3	358.350	1.383	20	10		FDCDHM
C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN1C(=O)c1cc(O)c([O-])c(O)c1	ZINC001148587732	952759721	/nfs/dbraw/zinc/75/97/21/952759721.db2.gz	LLKFMHPPIBVBLQ-KOLCDFICSA-N	-1	3	352.387	1.931	20	10		FDCDHM
O=C(c1cc(O)c([O-])c(O)c1)N1CCC2(CC1)OC(=O)c1ncccc12	ZINC001148587147	952759993	/nfs/dbraw/zinc/75/99/93/952759993.db2.gz	DOLLNUPGGJGIEP-UHFFFAOYSA-N	-1	3	356.334	1.500	20	10		FDCDHM
Cc1cc(=O)[n-]c(N2CCC(NC(=O)c3ccc(C)c(O)c3O)CC2)n1	ZINC001178694876	964376332	/nfs/dbraw/zinc/37/63/32/964376332.db2.gz	ALPXJLGJMLWHTJ-UHFFFAOYSA-N	-1	3	358.398	1.609	20	10		FDCDHM
O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1nnc2cnccn21	ZINC001152032518	969145936	/nfs/dbraw/zinc/14/59/36/969145936.db2.gz	SJGWZUKADNWJBV-UHFFFAOYSA-N	-1	3	354.757	1.962	20	10		FDCDHM
CC[S@@](C)(=O)=NS(=O)(=O)[N-][C@H](C)Cc1ccc(N(C)C)cc1C	ZINC000867408688	975178770	/nfs/dbraw/zinc/17/87/70/975178770.db2.gz	BEZMSKXFASNKGG-MCMMXHMISA-N	-1	3	361.533	1.944	20	10		FDCDHM
COc1ccc(N2CC[C@H](C[N-]S(=O)(=O)c3ccc(C)nn3)C2)cc1	ZINC000867427902	975235072	/nfs/dbraw/zinc/23/50/72/975235072.db2.gz	BOVUVRRYDDXDDJ-CQSZACIVSA-N	-1	3	362.455	1.598	20	10		FDCDHM
C[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000776341038	975961651	/nfs/dbraw/zinc/96/16/51/975961651.db2.gz	MTQVPRBWUWJGLA-LLVKDONJSA-N	-1	3	364.423	1.839	20	10		FDCDHM
Cc1cnc(CCNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c(C)c1	ZINC000848294484	976578218	/nfs/dbraw/zinc/57/82/18/976578218.db2.gz	OBOSHDFGTDIGOI-UHFFFAOYSA-N	-1	3	363.439	1.748	20	10		FDCDHM
COC(=O)c1cn(C2CN(Cc3c([O-])cccc3Br)C2)nn1	ZINC000862302755	984321797	/nfs/dbraw/zinc/32/17/97/984321797.db2.gz	AUJIXNYEYRVCBD-UHFFFAOYSA-N	-1	3	367.203	1.590	20	10		FDCDHM
O=C(NCc1c([O-])cccc1F)N[C@@H]1CCC(=O)N[C@H]1[C@@H]1CCCO1	ZINC000924065345	994359517	/nfs/dbraw/zinc/35/95/17/994359517.db2.gz	KWXLSULIJWONRA-IVMMDQJWSA-N	-1	3	351.378	1.157	20	10		FDCDHM
CCS(=O)(=O)N[C@@H](CCSC)C(=O)NCc1c([O-])cccc1F	ZINC000928711170	1001632822	/nfs/dbraw/zinc/63/28/22/1001632822.db2.gz	GDKPAXPYJZZCQN-LBPRGKRZSA-N	-1	3	364.464	1.209	20	10		FDCDHM
CCN(Cc1cc(Br)ccc1[O-])C(=O)NC[C@H]1COCCN1	ZINC000529374162	539829567	/nfs/dbraw/zinc/82/95/67/539829567.db2.gz	ILRWSNCEBXVICJ-ZDUSSCGKSA-N	-1	3	372.263	1.675	20	10		FDCDHM
CCCCS(=O)(=O)[N-]CC(=O)N1CCOc2cc(N(C)C)ccc21	ZINC000534881839	540424168	/nfs/dbraw/zinc/42/41/68/540424168.db2.gz	IEZBEURCRPODEJ-UHFFFAOYSA-N	-1	3	355.460	1.198	20	10		FDCDHM
CN(CCCn1ccnc1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000268999485	674104992	/nfs/dbraw/zinc/10/49/92/674104992.db2.gz	SXXLOWJVTQYDHU-UHFFFAOYSA-N	-1	3	352.416	1.123	20	10		FDCDHM
CCN(CC(=O)N1CCOCC1)Cc1cc(Br)ccc1[O-]	ZINC000076118537	523026318	/nfs/dbraw/zinc/02/63/18/523026318.db2.gz	RDNTXBJAHKFAJD-UHFFFAOYSA-N	-1	3	357.248	1.835	20	10		FDCDHM
Cc1ccc2c(c1)[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])CO2	ZINC000363815482	537325759	/nfs/dbraw/zinc/32/57/59/537325759.db2.gz	FYUOEILGGHKLKW-AWEZNQCLSA-N	-1	3	362.407	1.936	20	10		FDCDHM
CCC[C@@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C(=O)OCC	ZINC000279650760	537352735	/nfs/dbraw/zinc/35/27/35/537352735.db2.gz	ZUGVOOORRPDJQU-NSHDSACASA-N	-1	3	372.443	1.473	20	10		FDCDHM
C[C@@H](CCO)C1(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCC1	ZINC000271909838	537504667	/nfs/dbraw/zinc/50/46/67/537504667.db2.gz	RKCCVTVKYJYZCR-LBPRGKRZSA-N	-1	3	370.471	1.682	20	10		FDCDHM
CCOC1(C)CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1	ZINC000294016730	537642107	/nfs/dbraw/zinc/64/21/07/537642107.db2.gz	NFGIESRVIJOEQE-UHFFFAOYSA-N	-1	3	356.444	1.795	20	10		FDCDHM
COc1ccc(C[C@@](C)(O)CNC(=O)c2cccc(O)c2[O-])cc1OC	ZINC000291788318	537676715	/nfs/dbraw/zinc/67/67/15/537676715.db2.gz	GEBVREQHRNUYOA-LJQANCHMSA-N	-1	3	361.394	1.839	20	10		FDCDHM
Cc1ncsc1CCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000295992315	537714284	/nfs/dbraw/zinc/71/42/84/537714284.db2.gz	JKJUUFRZHMUFIB-UHFFFAOYSA-N	-1	3	355.441	1.501	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC(O)(c3ccccc3)C2)c1	ZINC000377121955	537956328	/nfs/dbraw/zinc/95/63/28/537956328.db2.gz	AQUPAKOJKLYJQQ-UHFFFAOYSA-N	-1	3	362.407	1.107	20	10		FDCDHM
COc1ccc(O)c(CNC(=O)NCc2ccc(-c3nnn[n-]3)cc2)c1	ZINC000737105799	598923478	/nfs/dbraw/zinc/92/34/78/598923478.db2.gz	JMUVCZBZHHFJIG-UHFFFAOYSA-N	-1	3	354.370	1.580	20	10		FDCDHM
COc1ccc(O)c(CNC(=O)NCc2ccc(-c3nn[n-]n3)cc2)c1	ZINC000737105799	598923480	/nfs/dbraw/zinc/92/34/80/598923480.db2.gz	JMUVCZBZHHFJIG-UHFFFAOYSA-N	-1	3	354.370	1.580	20	10		FDCDHM
COc1ccc(C=C2SC(N3CCOCC3)=NC2=O)cc1-c1nnn[n-]1	ZINC000737084779	599154569	/nfs/dbraw/zinc/15/45/69/599154569.db2.gz	VURODGIVQBGCKM-UKTHLTGXSA-N	-1	3	372.410	1.178	20	10		FDCDHM
COc1ccc(C=C2SC(N3CCOCC3)=NC2=O)cc1-c1nn[n-]n1	ZINC000737084779	599154572	/nfs/dbraw/zinc/15/45/72/599154572.db2.gz	VURODGIVQBGCKM-UKTHLTGXSA-N	-1	3	372.410	1.178	20	10		FDCDHM
COc1cccc(CNC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c1O	ZINC000821867969	599674895	/nfs/dbraw/zinc/67/48/95/599674895.db2.gz	NBNUMTHHTGYRDX-UHFFFAOYSA-N	-1	3	372.360	1.719	20	10		FDCDHM
COc1cccc(CNC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c1O	ZINC000821867969	599674896	/nfs/dbraw/zinc/67/48/96/599674896.db2.gz	NBNUMTHHTGYRDX-UHFFFAOYSA-N	-1	3	372.360	1.719	20	10		FDCDHM
Fc1cc(CNc2ccc(-c3nnn[n-]3)nc2)ccc1N1CCOCC1	ZINC000822748445	606052049	/nfs/dbraw/zinc/05/20/49/606052049.db2.gz	YVVBVAUYRWYHNV-UHFFFAOYSA-N	-1	3	355.377	1.850	20	10		FDCDHM
Fc1cc(CNc2ccc(-c3nn[n-]n3)nc2)ccc1N1CCOCC1	ZINC000822748445	606052054	/nfs/dbraw/zinc/05/20/54/606052054.db2.gz	YVVBVAUYRWYHNV-UHFFFAOYSA-N	-1	3	355.377	1.850	20	10		FDCDHM
O=C(NCc1ccccc1O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl	ZINC000823261571	606738507	/nfs/dbraw/zinc/73/85/07/606738507.db2.gz	OCCDWQNJDARIPK-UHFFFAOYSA-N	-1	3	372.772	1.481	20	10		FDCDHM
O=C(NCc1ccccc1O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl	ZINC000823261571	606738509	/nfs/dbraw/zinc/73/85/09/606738509.db2.gz	OCCDWQNJDARIPK-UHFFFAOYSA-N	-1	3	372.772	1.481	20	10		FDCDHM
CN(C[C@H](O)COc1ccc(-c2nn[n-]n2)cc1)c1ccc2c(c1)OCO2	ZINC000825902553	607927467	/nfs/dbraw/zinc/92/74/67/607927467.db2.gz	VUPSTPXEPVNSIZ-AWEZNQCLSA-N	-1	3	369.381	1.472	20	10		FDCDHM
O=S(=O)(Cc1cc(-c2nn[n-]n2)ccc1F)NCc1ccccc1O	ZINC000826485799	608335140	/nfs/dbraw/zinc/33/51/40/608335140.db2.gz	DJVZJFJKDBHRHQ-UHFFFAOYSA-N	-1	3	363.374	1.331	20	10		FDCDHM
CN(C)c1ccc(CNS(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)cc1	ZINC000825879693	609511762	/nfs/dbraw/zinc/51/17/62/609511762.db2.gz	OKQSXEGYOKXHKA-UHFFFAOYSA-N	-1	3	372.454	1.552	20	10		FDCDHM
CN(C)c1ccc(CNS(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)cc1	ZINC000825879693	609511763	/nfs/dbraw/zinc/51/17/63/609511763.db2.gz	OKQSXEGYOKXHKA-UHFFFAOYSA-N	-1	3	372.454	1.552	20	10		FDCDHM
O=S(=O)(NCc1ccccc1O)c1ccc(-c2nnn[n-]2)cc1Cl	ZINC000826491803	609549215	/nfs/dbraw/zinc/54/92/15/609549215.db2.gz	BYSKXBJNPSXRJN-UHFFFAOYSA-N	-1	3	365.802	1.704	20	10		FDCDHM
O=S(=O)(NCc1ccccc1O)c1ccc(-c2nn[n-]n2)cc1Cl	ZINC000826491803	609549217	/nfs/dbraw/zinc/54/92/17/609549217.db2.gz	BYSKXBJNPSXRJN-UHFFFAOYSA-N	-1	3	365.802	1.704	20	10		FDCDHM
COC(=O)[C@H]1C[C@H](C)CCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000274764159	674596068	/nfs/dbraw/zinc/59/60/68/674596068.db2.gz	HJHVFAPABCAMOA-ZWNOBZJWSA-N	-1	3	370.427	1.177	20	10		FDCDHM
C[C@H](O)C[C@@H]1CCCCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000287602656	675918799	/nfs/dbraw/zinc/91/87/99/675918799.db2.gz	YKGBAMFVZXYBKU-JSGCOSHPSA-N	-1	3	370.471	1.919	20	10		FDCDHM
C[C@@H](O)C[C@@H]1CCCCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000287602660	675918803	/nfs/dbraw/zinc/91/88/03/675918803.db2.gz	YKGBAMFVZXYBKU-OCCSQVGLSA-N	-1	3	370.471	1.919	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)cc1	ZINC000198852808	672409705	/nfs/dbraw/zinc/40/97/05/672409705.db2.gz	NTUZVSGDEGUZFX-UHFFFAOYSA-N	-1	3	368.436	1.794	20	10		FDCDHM
CO[C@]1(C)CCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1	ZINC000280042581	675377177	/nfs/dbraw/zinc/37/71/77/675377177.db2.gz	PJARHKNXGIZEQB-MRXNPFEDSA-N	-1	3	356.444	1.795	20	10		FDCDHM
C[C@H](CO)N(CC1CCC1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000280790126	675457175	/nfs/dbraw/zinc/45/71/75/675457175.db2.gz	KXTWCRDKLOSPMG-LLVKDONJSA-N	-1	3	356.444	1.387	20	10		FDCDHM
O=C(NCC1CC1)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1	ZINC000372765480	677973671	/nfs/dbraw/zinc/97/36/71/677973671.db2.gz	JLVMSDAKWFCUTF-OAHLLOKOSA-N	-1	3	365.861	1.652	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2COc3cccc(F)c32)c1	ZINC000378631760	678765249	/nfs/dbraw/zinc/76/52/49/678765249.db2.gz	KAOWCGRRFBFIFC-GFCCVEGCSA-N	-1	3	366.370	1.766	20	10		FDCDHM
O=C(NCc1cc(Cl)c2cccnc2c1[O-])[C@@H]1CCCS1(=O)=O	ZINC001143484430	790865479	/nfs/dbraw/zinc/86/54/79/790865479.db2.gz	OULZGFZPQQFWPL-LBPRGKRZSA-N	-1	3	354.815	1.787	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCc2cccc(CO)c2)c1	ZINC000729540628	822611431	/nfs/dbraw/zinc/61/14/31/822611431.db2.gz	MDHJZCSYWVBSHQ-UHFFFAOYSA-N	-1	3	350.396	1.186	20	10		FDCDHM
C[C@@H](O[C@@H](C)C(=O)[O-])C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	ZINC000899855436	846788472	/nfs/dbraw/zinc/78/84/72/846788472.db2.gz	WNPMLDSVRPIVDL-WWGRRREGSA-N	-1	3	351.447	1.350	20	10		FDCDHM
Cn1nccc1N1CCC[C@H](NC(=O)NCc2c([O-])cccc2F)C1=O	ZINC000922171968	873381343	/nfs/dbraw/zinc/38/13/43/873381343.db2.gz	MLUMGOCRYNODBZ-ZDUSSCGKSA-N	-1	3	361.377	1.260	20	10		FDCDHM
O=C(C(=O)N1CCN(Cc2c([O-])ccc3ccncc32)CC1)N1CCCC1	ZINC000917468016	883470401	/nfs/dbraw/zinc/47/04/01/883470401.db2.gz	CENJJYVJCVQQLK-UHFFFAOYSA-N	-1	3	368.437	1.207	20	10		FDCDHM
CO[C@@H]1CS(=O)(=O)C[C@H]1NCc1c([O-])cccc1Br	ZINC000706805238	886654438	/nfs/dbraw/zinc/65/44/38/886654438.db2.gz	SYJXOYZPPHYXOU-ZYHUDNBSSA-N	-1	3	350.234	1.056	20	10		FDCDHM
C[C@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])Oc1ccccc1	ZINC000733806680	922036669	/nfs/dbraw/zinc/03/66/69/922036669.db2.gz	JGEBQLLOOOUJOW-GFCCVEGCSA-N	-1	3	364.423	1.961	20	10		FDCDHM
O=S(=O)(c1cc[nH]n1)N1CCN(Cc2c([O-])cccc2Cl)CC1	ZINC000828928422	924978295	/nfs/dbraw/zinc/97/82/95/924978295.db2.gz	XRMUTABASCNLRZ-UHFFFAOYSA-N	-1	3	356.835	1.275	20	10		FDCDHM
COC(=O)CN(CCN1CCOCC1)Cc1c([O-])ccc2ccncc21	ZINC000746379254	927929553	/nfs/dbraw/zinc/92/95/53/927929553.db2.gz	DEPNRXKJCNRTLG-UHFFFAOYSA-N	-1	3	359.426	1.248	20	10		FDCDHM
CCOC(=O)[C@@H](CC1CC1)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000769940078	929773023	/nfs/dbraw/zinc/77/30/23/929773023.db2.gz	KMLMQUGLXFGQKQ-CYBMUJFWSA-N	-1	3	370.427	1.225	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H](CCO)c2cccs2)c1	ZINC000770022395	929802271	/nfs/dbraw/zinc/80/22/71/929802271.db2.gz	FAAKVEKNMQKBMK-GFCCVEGCSA-N	-1	3	370.452	1.679	20	10		FDCDHM
Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)CCO)cc2C)c([O-])c1O	ZINC000787800888	932426194	/nfs/dbraw/zinc/42/61/94/932426194.db2.gz	ZUBYZYZJOPDTNI-UHFFFAOYSA-N	-1	3	365.407	1.733	20	10		FDCDHM
O=C(N[C@@H]1CC(=O)N([C@@H]2C[C@H]2c2ccccc2)C1)c1cccc(O)c1[O-]	ZINC000790809247	933729178	/nfs/dbraw/zinc/72/91/78/933729178.db2.gz	YPWJSLVAUIVZOU-VNQPRFMTSA-N	-1	3	352.390	1.985	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCc2nc3ccccc3o2)c1	ZINC000816667606	942292608	/nfs/dbraw/zinc/29/26/08/942292608.db2.gz	RGKMFLOEVABARM-UHFFFAOYSA-N	-1	3	361.379	1.835	20	10		FDCDHM
COc1ncc(S(=O)(=O)[N-]Cc2ccc(N3CCOCC3)cc2)s1	ZINC000820787079	944212721	/nfs/dbraw/zinc/21/27/21/944212721.db2.gz	HIBGXEKVJMXKGY-UHFFFAOYSA-N	-1	3	369.468	1.467	20	10		FDCDHM
CC(C)(C)OC(=O)C1(CNC(=O)c2cccc(O)c2[O-])CCOCC1	ZINC000843993815	947542596	/nfs/dbraw/zinc/54/25/96/947542596.db2.gz	PEDJEDCAVXQQOE-UHFFFAOYSA-N	-1	3	351.399	1.966	20	10		FDCDHM
COc1ccc(N2CC[C@@H](NC(=O)CNC(=O)c3ccc([O-])cc3)C2)cc1	ZINC000857302352	971707880	/nfs/dbraw/zinc/70/78/80/971707880.db2.gz	OMYRMDZELWBKQL-OAHLLOKOSA-N	-1	3	369.421	1.526	20	10		FDCDHM
CN(C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)C(=O)c1cccc(O)c1[O-]	ZINC001148211886	952646582	/nfs/dbraw/zinc/64/65/82/952646582.db2.gz	AWOLASQFBFWCPR-GFCCVEGCSA-N	-1	3	366.414	1.806	20	10		FDCDHM
O=C(NCc1cccnc1)[C@@H]1C[C@]12CCN(C(=O)c1cccc(O)c1[O-])C2	ZINC001148214460	952648643	/nfs/dbraw/zinc/64/86/43/952648643.db2.gz	SOKWRZRWXXPOEH-YWZLYKJASA-N	-1	3	367.405	1.661	20	10		FDCDHM
COc1ccnc(OC2CCN(C(=O)c3cc(O)c([O-])c(O)c3)CC2)n1	ZINC001148588121	952759886	/nfs/dbraw/zinc/75/98/86/952759886.db2.gz	OVYPAOPIBRHWNQ-UHFFFAOYSA-N	-1	3	361.354	1.286	20	10		FDCDHM
COc1ccc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1-n1cnnn1	ZINC000774938113	964129037	/nfs/dbraw/zinc/12/90/37/964129037.db2.gz	KRNAGJIKVOQLGA-UHFFFAOYSA-N	-1	3	372.341	1.905	20	10		FDCDHM
C[C@@H]1CCN(Cc2cc3c(cc2O)OC[C@H]3O)C[C@@H]1[N-]C(=O)C(F)(F)F	ZINC000853622555	968202605	/nfs/dbraw/zinc/20/26/05/968202605.db2.gz	IDZJOFFIGCORQF-LJWDBELGSA-N	-1	3	374.359	1.707	20	10		FDCDHM
COc1cc(Br)cc(C[N@@H+]2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c1[O-]	ZINC000854241678	968708775	/nfs/dbraw/zinc/70/87/75/968708775.db2.gz	TYESOGYZEZSQPD-MEBBXXQBSA-N	-1	3	372.215	1.696	20	10		FDCDHM
COc1cc(Br)cc(C[N@H+]2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c1[O-]	ZINC000854241678	968708782	/nfs/dbraw/zinc/70/87/82/968708782.db2.gz	TYESOGYZEZSQPD-MEBBXXQBSA-N	-1	3	372.215	1.696	20	10		FDCDHM
O=C(c1cccc(O)c1[O-])N(CCN1CCOCC1)[C@@H]1CCSC1	ZINC000854569356	968987608	/nfs/dbraw/zinc/98/76/08/968987608.db2.gz	WLEFFBCERLGMDC-CYBMUJFWSA-N	-1	3	352.456	1.378	20	10		FDCDHM
COc1ccc(N2CC[C@@H](NC(=O)Cc3c(C)nc(C)[n-]c3=O)C2)cc1	ZINC000855232346	970227521	/nfs/dbraw/zinc/22/75/21/970227521.db2.gz	QDGYMQQPXSIKRH-CQSZACIVSA-N	-1	3	356.426	1.745	20	10		FDCDHM
CNS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)cc1	ZINC000797431357	972779860	/nfs/dbraw/zinc/77/98/60/972779860.db2.gz	MYWOCONMYNWUQJ-UHFFFAOYSA-N	-1	3	373.431	1.811	20	10		FDCDHM
Cn1ncc(C(=O)[O-])c1CNCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	ZINC001605555798	973781450	/nfs/dbraw/zinc/78/14/50/973781450.db2.gz	ONTFOWOZFWRZSG-AWEZNQCLSA-N	-1	3	371.441	1.110	20	10		FDCDHM
O=c1[nH]cc(S(=O)(=O)[N-]Cc2ccc(N3CCSCC3)cc2)s1	ZINC000866533136	975762245	/nfs/dbraw/zinc/76/22/45/975762245.db2.gz	OFFUPPLXQYWCGE-UHFFFAOYSA-N	-1	3	371.509	1.880	20	10		FDCDHM
Cn1ncc(S(=O)(=O)[N-]CCc2ccc(N)cc2)c1Br	ZINC000866761150	976005270	/nfs/dbraw/zinc/00/52/70/976005270.db2.gz	KYOJYRMWOINVHL-UHFFFAOYSA-N	-1	3	359.249	1.286	20	10		FDCDHM
COc1ccc(N2CC[C@H]([N-]S(=O)(=O)c3c[nH]c(=O)s3)C2)cc1	ZINC000867497088	976255302	/nfs/dbraw/zinc/25/53/02/976255302.db2.gz	MNCYRRCYDQTWTG-JTQLQIEISA-N	-1	3	355.441	1.415	20	10		FDCDHM
COc1cc(Br)cc(CN[C@H](C(=O)[O-])c2ccnn2C)c1O	ZINC000843039161	979330637	/nfs/dbraw/zinc/33/06/37/979330637.db2.gz	NOJUQDWYZYLEFO-LBPRGKRZSA-N	-1	3	370.203	1.812	20	10		FDCDHM
COc1ccc(N2CC[C@@H]([N-]S(=O)(=O)c3cccnc3F)C2)cc1	ZINC000882385948	980607019	/nfs/dbraw/zinc/60/70/19/980607019.db2.gz	IJERCRDFVWRXDW-GFCCVEGCSA-N	-1	3	351.403	1.787	20	10		FDCDHM
CN(C)CCN(CC(=O)N(C)C)c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-]	ZINC001598224563	990909701	/nfs/dbraw/zinc/90/97/01/990909701.db2.gz	MPYPMMBZQASUPA-SOFGYWHQSA-N	-1	3	364.402	1.149	20	10		FDCDHM
C[C@H](NCCS(=O)(=O)CC(F)(F)F)c1cc(C(=O)[O-])ccc1O	ZINC001593272262	994611095	/nfs/dbraw/zinc/61/10/95/994611095.db2.gz	QZYOYTGTJVKDIU-QMMMGPOBSA-N	-1	3	355.334	1.718	20	10		FDCDHM
C[C@H]([NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1cc(C(=O)[O-])ccc1[O-]	ZINC001593354024	994986207	/nfs/dbraw/zinc/98/62/07/994986207.db2.gz	IPLPYHBPXQWACL-ZLKJLUDKSA-N	-1	3	356.444	1.601	20	10		FDCDHM
CS(=O)(=O)NCCc1ccc(C(=O)NCc2c([O-])cccc2F)s1	ZINC000928707846	1001632425	/nfs/dbraw/zinc/63/24/25/1001632425.db2.gz	CXAROJQMZZACEO-UHFFFAOYSA-N	-1	3	372.443	1.615	20	10		FDCDHM
CCOC(Cn1cc(C(=O)NCc2c([O-])cccc2F)nn1)OCC	ZINC000928712714	1001633657	/nfs/dbraw/zinc/63/36/57/1001633657.db2.gz	XHDXFNSWBRRTBZ-UHFFFAOYSA-N	-1	3	352.366	1.452	20	10		FDCDHM
COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@@H]1C[C@@H]2COC[C@H]2O1	ZINC000929975367	1002685321	/nfs/dbraw/zinc/68/53/21/1002685321.db2.gz	GFRXFUHVMBVIII-IVMMDQJWSA-N	-1	3	355.818	1.825	20	10		FDCDHM
CN(CCC1CCOCC1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000268126203	674084713	/nfs/dbraw/zinc/08/47/13/674084713.db2.gz	AOBFEUWYTUQLRP-UHFFFAOYSA-N	-1	3	356.444	1.652	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCS[C@@H]3COCC[C@@H]32)c1	ZINC000271372691	674337771	/nfs/dbraw/zinc/33/77/71/674337771.db2.gz	JHIBXBWKZXJKNX-GXTWGEPZSA-N	-1	3	372.468	1.110	20	10		FDCDHM
COc1cc(Cl)cc(CN2CCN([C@H]3CCCCNC3=O)CC2)c1[O-]	ZINC000359963501	533954006	/nfs/dbraw/zinc/95/40/06/533954006.db2.gz	ZNGHASKQJKYNPH-HNNXBMFYSA-N	-1	3	367.877	1.841	20	10		FDCDHM
C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCc1ccc(N(C)C)cc1	ZINC000056171928	521807545	/nfs/dbraw/zinc/80/75/45/521807545.db2.gz	OAJLLRMAIMZXNO-LBPRGKRZSA-N	-1	3	367.496	1.797	20	10		FDCDHM
Cc1nn(C)cc1[C@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000069497466	521892516	/nfs/dbraw/zinc/89/25/16/521892516.db2.gz	WUXZJFBUBCCKIL-VIFPVBQESA-N	-1	3	352.416	1.297	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC[C@@H]2COC3(CCCC3)O2)c1	ZINC000271637649	674363223	/nfs/dbraw/zinc/36/32/23/674363223.db2.gz	ZHBDIYAABNCBPQ-GFCCVEGCSA-N	-1	3	370.427	1.179	20	10		FDCDHM
CN(c1ccc(CNC(=O)CN2CC(=O)[N-]C2=O)cc1)C1CCCCC1	ZINC000078646519	523631541	/nfs/dbraw/zinc/63/15/41/523631541.db2.gz	DSJDZUGAXGFNHG-UHFFFAOYSA-N	-1	3	358.442	1.624	20	10		FDCDHM
COCCNC(=O)CN1CCN(Cc2cc(Cl)cc(C)c2[O-])CC1	ZINC000179616280	525606596	/nfs/dbraw/zinc/60/65/96/525606596.db2.gz	BQRWURYFEFRPOR-UHFFFAOYSA-N	-1	3	355.866	1.234	20	10		FDCDHM
Cc1ccc(C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)c([O-])c1O	ZINC000267634517	536986470	/nfs/dbraw/zinc/98/64/70/536986470.db2.gz	XWSLWPNSDHINEK-UHFFFAOYSA-N	-1	3	361.442	1.177	20	10		FDCDHM
COC(=O)[C@H]1C[C@@H](C(=O)OC)CCN1Cc1cc(F)cc(C(C)=O)c1[O-]	ZINC000272619714	537305603	/nfs/dbraw/zinc/30/56/03/537305603.db2.gz	UONVXSANEZTXFO-XHDPSFHLSA-N	-1	3	367.373	1.661	20	10		FDCDHM
CC(C)CN1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1	ZINC000299091812	537437814	/nfs/dbraw/zinc/43/78/14/537437814.db2.gz	MGRNAWWGRWJUBJ-UHFFFAOYSA-N	-1	3	355.460	1.178	20	10		FDCDHM
COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)[C@@H]1C[C@H](C)CC(=O)N1	ZINC000293523410	537500765	/nfs/dbraw/zinc/50/07/65/537500765.db2.gz	QOJGRYXXTNRLPU-GWCFXTLKSA-N	-1	3	368.817	1.462	20	10		FDCDHM
COC(=O)[C@H]1COCCN1Cc1cc(Br)cc(OC)c1[O-]	ZINC000360079053	537576822	/nfs/dbraw/zinc/57/68/22/537576822.db2.gz	MAAUTWZXDSVDMP-LLVKDONJSA-N	-1	3	360.204	1.537	20	10		FDCDHM
Cc1ccc(C(=O)N2CCCNC(=O)[C@H]2Cc2ccccc2)c([O-])c1O	ZINC000294476283	537702396	/nfs/dbraw/zinc/70/23/96/537702396.db2.gz	RFDXBKCYUYUVPN-MRXNPFEDSA-N	-1	3	354.406	1.980	20	10		FDCDHM
CCC[C@]1(CO)CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1	ZINC000378143210	538073761	/nfs/dbraw/zinc/07/37/61/538073761.db2.gz	VNPVGQPSLVQNRQ-INIZCTEOSA-N	-1	3	356.444	1.388	20	10		FDCDHM
Cc1ccc(C(=O)OCCOc2ccccc2-c2nnn[n-]2)c(O)c1O	ZINC000737317808	598410059	/nfs/dbraw/zinc/41/00/59/598410059.db2.gz	NJCZDAPPUBGKRB-UHFFFAOYSA-N	-1	3	356.338	1.822	20	10		FDCDHM
Cc1ccc(C(=O)OCCOc2ccccc2-c2nn[n-]n2)c(O)c1O	ZINC000737317808	598410061	/nfs/dbraw/zinc/41/00/61/598410061.db2.gz	NJCZDAPPUBGKRB-UHFFFAOYSA-N	-1	3	356.338	1.822	20	10		FDCDHM
C[C@@]1(CCCO)CCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000273284269	674524425	/nfs/dbraw/zinc/52/44/25/674524425.db2.gz	AXNIZCUIJVRFQS-INIZCTEOSA-N	-1	3	356.444	1.531	20	10		FDCDHM
COc1ccc(N2CCN(c3ccc(-c4nnn[n-]4)nc3)CC2)cc1F	ZINC000821831623	606633883	/nfs/dbraw/zinc/63/38/83/606633883.db2.gz	GPWQVBFEKJQZQF-UHFFFAOYSA-N	-1	3	355.377	1.736	20	10		FDCDHM
COc1ccc(N2CCN(c3ccc(-c4nn[n-]n4)nc3)CC2)cc1F	ZINC000821831623	606633884	/nfs/dbraw/zinc/63/38/84/606633884.db2.gz	GPWQVBFEKJQZQF-UHFFFAOYSA-N	-1	3	355.377	1.736	20	10		FDCDHM
COCC(C)(C)CCCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000288199324	675974750	/nfs/dbraw/zinc/97/47/50/675974750.db2.gz	OAOLQUYDZCJBSG-UHFFFAOYSA-N	-1	3	358.460	1.946	20	10		FDCDHM
CC1(C)CCC[C@@]1(O)CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000294532871	676387733	/nfs/dbraw/zinc/38/77/33/676387733.db2.gz	VBADHYBAIZLFQI-MRXNPFEDSA-N	-1	3	356.444	1.435	20	10		FDCDHM
C[C@@H](O)c1cn(C2CN(Cc3cc(Br)ccc3[O-])C2)nn1	ZINC000374825148	678092907	/nfs/dbraw/zinc/09/29/07/678092907.db2.gz	XZXWMBNWHGEOQR-SECBINFHSA-N	-1	3	353.220	1.856	20	10		FDCDHM
COC(=O)[C@@]1(CNCc2c([O-])ccc(Cl)c2F)C[C@@H]1S(C)(=O)=O	ZINC000895510792	822632961	/nfs/dbraw/zinc/63/29/61/822632961.db2.gz	HTQNTEWMJXQDBV-SMDDNHRTSA-N	-1	3	365.810	1.251	20	10		FDCDHM
CN(C)c1ccc([C@@H](CNC(=O)C[C@@]2(C(=O)[O-])CCOC2)N(C)C)cc1	ZINC000899854265	846787479	/nfs/dbraw/zinc/78/74/79/846787479.db2.gz	HYOVQGQYPAWIKC-APWZRJJASA-N	-1	3	363.458	1.353	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCOc2ccccc2F)c1	ZINC000919806795	886208740	/nfs/dbraw/zinc/20/87/40/886208740.db2.gz	QXVMYUPBDKVSMA-UHFFFAOYSA-N	-1	3	368.386	1.712	20	10		FDCDHM
CCN1CCN(CC(=O)NCc2cccc(Br)c2[O-])CC1	ZINC000765752650	908721960	/nfs/dbraw/zinc/72/19/60/908721960.db2.gz	YIAADKVRJZMIEX-UHFFFAOYSA-N	-1	3	356.264	1.408	20	10		FDCDHM
COC(=O)[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C(C)(C)C	ZINC000769863555	929704997	/nfs/dbraw/zinc/70/49/97/929704997.db2.gz	MOSIJJJLEZHYIC-GFCCVEGCSA-N	-1	3	358.416	1.081	20	10		FDCDHM
C[C@@H](C[C@@H](O)c1ccco1)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000769985525	929784364	/nfs/dbraw/zinc/78/43/64/929784364.db2.gz	JWCMXDQIZFGCFS-IINYFYTJSA-N	-1	3	368.411	1.599	20	10		FDCDHM
CS(=O)(=O)CC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1	ZINC000771059358	930406674	/nfs/dbraw/zinc/40/66/74/930406674.db2.gz	PLCRVIFXNJFPDS-CYBMUJFWSA-N	-1	3	360.863	1.171	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H](CO)c2ccsc2)c1	ZINC000771536466	930719702	/nfs/dbraw/zinc/71/97/02/930719702.db2.gz	OOQPIMNBODDLNX-LBPRGKRZSA-N	-1	3	356.425	1.289	20	10		FDCDHM
O=C(NC[C@H]1CCCO1)c1cccc(CNC(=O)c2cccc(O)c2[O-])c1	ZINC000790580970	933613262	/nfs/dbraw/zinc/61/32/62/933613262.db2.gz	WLPNPFGMXSNDHD-OAHLLOKOSA-N	-1	3	370.405	1.937	20	10		FDCDHM
CS(=O)(=O)c1ccccc1-n1cc(NC(=O)c2cccc(O)c2[O-])cn1	ZINC000790667155	933655127	/nfs/dbraw/zinc/65/51/27/933655127.db2.gz	WTYMKYVUOAAQJP-UHFFFAOYSA-N	-1	3	373.390	1.939	20	10		FDCDHM
C[N-]S(=O)(=O)c1cc(C(=O)NCc2ccc(OC)cc2O)c(C)o1	ZINC000794378264	938395240	/nfs/dbraw/zinc/39/52/40/938395240.db2.gz	REQORNGDJGSTHU-UHFFFAOYSA-N	-1	3	354.384	1.140	20	10		FDCDHM
CC(=O)Nc1ncc(S(=O)(=O)[N-]Cc2ccc(N(C)C)cc2)s1	ZINC000804941639	938616047	/nfs/dbraw/zinc/61/60/47/938616047.db2.gz	ZXUFQFCNZDCLTL-UHFFFAOYSA-N	-1	3	354.457	1.646	20	10		FDCDHM
O=S1(=O)CC[C@H](N2CCN(Cc3ccc4ccccc4c3[O-])CC2)C1	ZINC000816482468	942215860	/nfs/dbraw/zinc/21/58/60/942215860.db2.gz	HHVDSKXDTAZMON-KRWDZBQOSA-N	-1	3	360.479	1.850	20	10		FDCDHM
C[S@@](=O)CCN1CCN(Cc2ccc(Br)cc2[O-])CC1	ZINC000824856183	946811837	/nfs/dbraw/zinc/81/18/37/946811837.db2.gz	UBJZJWQLPPPGNP-HXUWFJFHSA-N	-1	3	361.305	1.651	20	10		FDCDHM
C[C@@H]1CC2(CN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])CCOCC2	ZINC000844092280	947711047	/nfs/dbraw/zinc/71/10/47/947711047.db2.gz	BPYCQRGYIUDSBI-GFCCVEGCSA-N	-1	3	368.455	1.795	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C2CC2)C2CCOCC2)c1	ZINC000846421507	951053845	/nfs/dbraw/zinc/05/38/45/951053845.db2.gz	SGGROZVZBZBBET-INIZCTEOSA-N	-1	3	368.455	1.699	20	10		FDCDHM
Cn1cc(N2C[C@]3(CCN(C(=O)c4cccc(O)c4[O-])C3)CC2=O)cn1	ZINC001148214478	952648888	/nfs/dbraw/zinc/64/88/88/952648888.db2.gz	UCLUZUJYGJAMAC-GOSISDBHSA-N	-1	3	356.382	1.101	20	10		FDCDHM
COC(=O)c1ccc(N2CCOCC2)cc1NC(=O)c1cccc(O)c1[O-]	ZINC001148218556	952651778	/nfs/dbraw/zinc/65/17/78/952651778.db2.gz	FHTJPLJMNYFBFS-UHFFFAOYSA-N	-1	3	372.377	1.973	20	10		FDCDHM
O=C(Nc1cnc2cc(C3CCOCC3)nn2c1)c1cc(O)c([O-])c(O)c1	ZINC001148581840	952757241	/nfs/dbraw/zinc/75/72/41/952757241.db2.gz	CKJMRXQPLBKOJH-UHFFFAOYSA-N	-1	3	370.365	1.992	20	10		FDCDHM
CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)c1cc(O)c([O-])c(O)c1	ZINC001148586425	952759243	/nfs/dbraw/zinc/75/92/43/952759243.db2.gz	ONFSJMBYYPOJFO-QWRGUYRKSA-N	-1	3	370.377	1.881	20	10		FDCDHM
COc1cccc(OC2CCN(C(=O)c3cc(O)c([O-])c(O)c3)CC2)n1	ZINC001148587750	952760043	/nfs/dbraw/zinc/76/00/43/952760043.db2.gz	LRFDEJHPLHDCFO-UHFFFAOYSA-N	-1	3	360.366	1.891	20	10		FDCDHM
CC(C)(C)OC(=O)NC[C@]1(F)CCN(C(=O)c2cc(O)c([O-])c(O)c2)C1	ZINC001148588341	952760444	/nfs/dbraw/zinc/76/04/44/952760444.db2.gz	SVBAUAZEHHPUAJ-QGZVFWFLSA-N	-1	3	370.377	1.882	20	10		FDCDHM
O=C(c1cc(O)c([O-])c(O)c1)N1CCn2ncc(Br)c2C1	ZINC001148588575	952760465	/nfs/dbraw/zinc/76/04/65/952760465.db2.gz	VFPJAQFVGXYXJZ-UHFFFAOYSA-N	-1	3	354.160	1.418	20	10		FDCDHM
CCOC(=O)C1=CC[C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1	ZINC000862876157	972432075	/nfs/dbraw/zinc/43/20/75/972432075.db2.gz	JVSCXRYSQRUCHB-NSHDSACASA-N	-1	3	368.411	1.145	20	10		FDCDHM
COC(=O)C[C@H]1CCCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000773285385	960425081	/nfs/dbraw/zinc/42/50/81/960425081.db2.gz	WWXKOUQNJOOSME-GFCCVEGCSA-N	-1	3	370.427	1.322	20	10		FDCDHM
Cc1nn2cccnc2c1S(=O)(=O)[N-]Cc1ccc2c(c1)CCCN2C	ZINC001185997424	964228048	/nfs/dbraw/zinc/22/80/48/964228048.db2.gz	HCPMIVXSHYJXEJ-UHFFFAOYSA-N	-1	3	371.466	1.899	20	10		FDCDHM
COc1ccc(N2CC[C@H](NC(=O)Cc3c(C)nc(C)[n-]c3=O)C2)cc1	ZINC000855232345	970227430	/nfs/dbraw/zinc/22/74/30/970227430.db2.gz	QDGYMQQPXSIKRH-AWEZNQCLSA-N	-1	3	356.426	1.745	20	10		FDCDHM
CN(CCOCCNC(=O)OC(C)(C)C)C(=O)c1cccc(O)c1[O-]	ZINC000863044819	972633186	/nfs/dbraw/zinc/63/31/86/972633186.db2.gz	LNFOLFFISOKCHO-UHFFFAOYSA-N	-1	3	354.403	1.711	20	10		FDCDHM
CC1(C(=O)CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCCC1	ZINC000863063521	972653545	/nfs/dbraw/zinc/65/35/45/972653545.db2.gz	KUJYCXSNZRCANE-UHFFFAOYSA-N	-1	3	354.428	1.643	20	10		FDCDHM
C[C@@H](NC(=O)c1cccc(O)c1[O-])c1cccc(NS(C)(=O)=O)c1	ZINC000776333798	975844381	/nfs/dbraw/zinc/84/43/81/975844381.db2.gz	PUIZYBRDZRYMGI-SNVBAGLBSA-N	-1	3	350.396	1.960	20	10		FDCDHM
COc1ccc(N2CC[C@H]([N-]S(=O)(=O)c3cccnc3F)C2)cc1	ZINC000882385949	980608003	/nfs/dbraw/zinc/60/80/03/980608003.db2.gz	IJERCRDFVWRXDW-LBPRGKRZSA-N	-1	3	351.403	1.787	20	10		FDCDHM
COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@H](O)CC1(O)CCC1	ZINC000859189494	982608203	/nfs/dbraw/zinc/60/82/03/982608203.db2.gz	TYTIZBYXXMEVEX-CQSZACIVSA-N	-1	3	357.834	1.687	20	10		FDCDHM
CC(=O)c1cc(F)cc(CN2CCC(n3cc(C(N)=O)nn3)CC2)c1[O-]	ZINC000859590604	982933252	/nfs/dbraw/zinc/93/32/52/982933252.db2.gz	NCXUGAIUTDCNGI-UHFFFAOYSA-N	-1	3	361.377	1.261	20	10		FDCDHM
CCN(CC)c1ccc(CNC(=O)N2CCN(C)C[C@H](C(=O)[O-])C2)cc1	ZINC001596289740	983709811	/nfs/dbraw/zinc/70/98/11/983709811.db2.gz	NBFSRTLKTHZTLK-INIZCTEOSA-N	-1	3	362.474	1.691	20	10		FDCDHM
O=C([C@H]1CCCO1)N1CCN(Cc2c([O-])cccc2Br)CC1	ZINC000862212196	984251715	/nfs/dbraw/zinc/25/17/15/984251715.db2.gz	IFHPYPOJEILPCE-OAHLLOKOSA-N	-1	3	369.259	1.978	20	10		FDCDHM
CCN1C(=O)[C@H]2CN(Cc3c([O-])cccc3Br)CCN2C1=O	ZINC000862252181	984284516	/nfs/dbraw/zinc/28/45/16/984284516.db2.gz	SHKSSYQLMVQWSD-GFCCVEGCSA-N	-1	3	368.231	1.623	20	10		FDCDHM
COC(=O)[C@@H](NCc1ccc(Br)cc1[O-])c1ccn(C)n1	ZINC000825659111	988607177	/nfs/dbraw/zinc/60/71/77/988607177.db2.gz	UUAJEOSVLJDCGX-ZDUSSCGKSA-N	-1	3	354.204	1.892	20	10		FDCDHM
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N(CCN(C)C)CC(=O)[O-])c1	ZINC000874963229	990647735	/nfs/dbraw/zinc/64/77/35/990647735.db2.gz	GPXXJPZBPUCKIA-UHFFFAOYSA-N	-1	3	371.437	1.995	20	10		FDCDHM
CC(C)(C)OC(=O)N1CCO[C@H](C(=O)NCc2c([O-])cccc2F)C1	ZINC000928704551	1001631825	/nfs/dbraw/zinc/63/18/25/1001631825.db2.gz	BSKSGBWJWSTFEQ-AWEZNQCLSA-N	-1	3	354.378	1.783	20	10		FDCDHM
CC(C)[C@@H]1OCCC[C@H]1CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000267894142	674027575	/nfs/dbraw/zinc/02/75/75/674027575.db2.gz	VBZSIOSOPQHOEL-LRDDRELGSA-N	-1	3	370.471	1.945	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCOC3(CCC3)C2)c1	ZINC000269026128	674105682	/nfs/dbraw/zinc/10/56/82/674105682.db2.gz	GJOOXTIJTUHVOH-GFCCVEGCSA-N	-1	3	354.428	1.595	20	10		FDCDHM
CCOC(=O)CC[C@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000270870782	674280402	/nfs/dbraw/zinc/28/04/02/674280402.db2.gz	JDUVBAUVNDUVJA-JTQLQIEISA-N	-1	3	358.416	1.225	20	10		FDCDHM
C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N(C)Cc1ccccc1O	ZINC000136951788	524221756	/nfs/dbraw/zinc/22/17/56/524221756.db2.gz	UUKNBILNRZAACG-NSHDSACASA-N	-1	3	354.453	1.779	20	10		FDCDHM
CC(=O)N(C)CC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1	ZINC000158047483	524390392	/nfs/dbraw/zinc/39/03/92/524390392.db2.gz	WNMQCSGIHROFHC-OAHLLOKOSA-N	-1	3	353.850	1.605	20	10		FDCDHM
Cn1nc2c(cc1=O)CN(Cc1cc(Br)ccc1[O-])CC2	ZINC000093755925	524997305	/nfs/dbraw/zinc/99/73/05/524997305.db2.gz	PYGFESKBWQGVKN-UHFFFAOYSA-N	-1	3	350.216	1.807	20	10		FDCDHM
C[C@@H](COCC(F)(F)F)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000116039987	525093774	/nfs/dbraw/zinc/09/37/74/525093774.db2.gz	HHMJHSAEFYTRBB-QMMMGPOBSA-N	-1	3	370.349	1.461	20	10		FDCDHM
O=C1NCCN1C1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1	ZINC000127637629	525444208	/nfs/dbraw/zinc/44/42/08/525444208.db2.gz	GWSLMSOLIVBIHD-UHFFFAOYSA-N	-1	3	354.794	1.943	20	10		FDCDHM
CNC(=O)[C@H]1CN(Cc2ccc(OCc3ccccc3)cc2[O-])CCO1	ZINC000183170260	535933369	/nfs/dbraw/zinc/93/33/69/535933369.db2.gz	MNVQMRWQRSGLOM-LJQANCHMSA-N	-1	3	356.422	1.918	20	10		FDCDHM
COCCN(C)S(=O)(=O)[C@@H]1CCCN(Cc2cc(F)ccc2[O-])C1	ZINC000190831757	537188251	/nfs/dbraw/zinc/18/82/51/537188251.db2.gz	ORSSHRZUTNVVQW-OAHLLOKOSA-N	-1	3	360.451	1.404	20	10		FDCDHM
CCO[C@@H]1C[C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C12CCC2	ZINC000266452522	537203384	/nfs/dbraw/zinc/20/33/84/537203384.db2.gz	BZEGKVVNEFVDKS-LSDHHAIUSA-N	-1	3	368.455	1.841	20	10		FDCDHM
C[C@@H](O)C[C@H]1CCCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000279587970	537350941	/nfs/dbraw/zinc/35/09/41/537350941.db2.gz	FIIHXRMHUHUUBT-DGCLKSJQSA-N	-1	3	356.444	1.529	20	10		FDCDHM
CN(C[C@H]1CCCC[C@@H]1O)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000272148100	537535387	/nfs/dbraw/zinc/53/53/87/537535387.db2.gz	ACEYQHUDBFECJC-RISCZKNCSA-N	-1	3	356.444	1.387	20	10		FDCDHM
C[C@@H](NCCS(=O)(=O)N(C)C)c1ccc(Br)cc1[O-]	ZINC000290106704	537672468	/nfs/dbraw/zinc/67/24/68/537672468.db2.gz	IJCOFZYBCXCADM-SECBINFHSA-N	-1	3	351.266	1.697	20	10		FDCDHM
COC(=O)[C@H](NCc1ccc2c(c1)CCO2)c1ccc(-c2nnn[n-]2)cc1	ZINC000736899094	598885153	/nfs/dbraw/zinc/88/51/53/598885153.db2.gz	SPRAXXPZGYHFSG-QGZVFWFLSA-N	-1	3	365.393	1.806	20	10		FDCDHM
COC(=O)[C@H](NCc1ccc2c(c1)CCO2)c1ccc(-c2nn[n-]n2)cc1	ZINC000736899094	598885155	/nfs/dbraw/zinc/88/51/55/598885155.db2.gz	SPRAXXPZGYHFSG-QGZVFWFLSA-N	-1	3	365.393	1.806	20	10		FDCDHM
NC(=O)[C@H](NCc1ccc2c(c1)CCO2)c1ccc(-c2nn[n-]n2)cc1	ZINC000737737218	599098807	/nfs/dbraw/zinc/09/88/07/599098807.db2.gz	PIAOKLCHXIOCKJ-MRXNPFEDSA-N	-1	3	350.382	1.118	20	10		FDCDHM
COc1cccc(CNC(=O)COc2ccccc2-c2nnn[n-]2)c1O	ZINC000737132476	598320889	/nfs/dbraw/zinc/32/08/89/598320889.db2.gz	YXNHSHMJVZTKJD-UHFFFAOYSA-N	-1	3	355.354	1.276	20	10		FDCDHM
COc1cccc(CNC(=O)COc2ccccc2-c2nn[n-]n2)c1O	ZINC000737132476	598320891	/nfs/dbraw/zinc/32/08/91/598320891.db2.gz	YXNHSHMJVZTKJD-UHFFFAOYSA-N	-1	3	355.354	1.276	20	10		FDCDHM
O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)NCc1ccccc1O	ZINC000823215118	599453608	/nfs/dbraw/zinc/45/36/08/599453608.db2.gz	HVHDMWTTZPQTQP-UHFFFAOYSA-N	-1	3	354.370	1.451	20	10		FDCDHM
COc1ccc(N2CCC(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)cc1	ZINC000826209374	607720370	/nfs/dbraw/zinc/72/03/70/607720370.db2.gz	YZQULGNQYAVIPX-UHFFFAOYSA-N	-1	3	367.413	1.602	20	10		FDCDHM
COc1ccc(N2CCC(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)cc1	ZINC000826209374	607720372	/nfs/dbraw/zinc/72/03/72/607720372.db2.gz	YZQULGNQYAVIPX-UHFFFAOYSA-N	-1	3	367.413	1.602	20	10		FDCDHM
CN(CCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)Cc1ccccc1O	ZINC000825946364	607829772	/nfs/dbraw/zinc/82/97/72/607829772.db2.gz	UXYDISDCFSXVHS-UHFFFAOYSA-N	-1	3	373.438	1.478	20	10		FDCDHM
COC(=O)C[C@@H]1CSCCN1Cc1ccc([N+](=O)[O-])c(OC)c1[O-]	ZINC000278234202	675108976	/nfs/dbraw/zinc/10/89/76/675108976.db2.gz	NCRCPODWBPZYNK-LLVKDONJSA-N	-1	3	356.400	1.790	20	10		FDCDHM
COC(=O)Cn1cc(CNCc2cc(Br)ccc2[O-])nn1	ZINC000120019222	671682722	/nfs/dbraw/zinc/68/27/22/671682722.db2.gz	CJLNZPDZNZWJDT-UHFFFAOYSA-N	-1	3	355.192	1.209	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCCO[C@H]2CCCCO2)c1	ZINC000280722301	675451814	/nfs/dbraw/zinc/45/18/14/675451814.db2.gz	HTROFZCIRIRAJF-HNNXBMFYSA-N	-1	3	372.443	1.427	20	10		FDCDHM
COC(=O)[C@]1(C)CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C[C@H]1C	ZINC000282172577	675608861	/nfs/dbraw/zinc/60/88/61/675608861.db2.gz	NZPBCMMNTSBPRL-QLJPJBMISA-N	-1	3	370.427	1.035	20	10		FDCDHM
CO[C@@H]1[C@H](C)[C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C12CCC2	ZINC000360012409	676859977	/nfs/dbraw/zinc/85/99/77/676859977.db2.gz	BJIBFUUFDLQSRT-WKPIXPDZSA-N	-1	3	368.455	1.697	20	10		FDCDHM
CS(=O)(=O)N1CCN(C(=O)c2cccc(O)c2[O-])Cc2ccccc21	ZINC000365955775	677395088	/nfs/dbraw/zinc/39/50/88/677395088.db2.gz	OAVKRSHPFMNICH-UHFFFAOYSA-N	-1	3	362.407	1.520	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC(OCC3CC3)CC2)c1	ZINC000369825988	677519787	/nfs/dbraw/zinc/51/97/87/677519787.db2.gz	NVVBMXIIVOPMTC-UHFFFAOYSA-N	-1	3	368.455	1.795	20	10		FDCDHM
CN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@@H]1[C@@H]2CCO[C@H]2C1(C)C	ZINC000378365267	678744898	/nfs/dbraw/zinc/74/48/98/678744898.db2.gz	IVZJFJNTRSFMNT-NILFDRSVSA-N	-1	3	368.455	1.649	20	10		FDCDHM
Cc1nc(C)c(CC(=O)NCc2ccc(N3CCSCC3)cc2)c(=O)[n-]1	ZINC000054037643	807736339	/nfs/dbraw/zinc/73/63/39/807736339.db2.gz	MLIRTHFWAPCPBP-UHFFFAOYSA-N	-1	3	372.494	1.799	20	10		FDCDHM
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)cn1	ZINC000897983705	840674933	/nfs/dbraw/zinc/67/49/33/840674933.db2.gz	KGFVZGFRLRPYLU-ZDUSSCGKSA-N	-1	3	365.441	1.997	20	10		FDCDHM
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)cn1	ZINC000897983705	840674938	/nfs/dbraw/zinc/67/49/38/840674938.db2.gz	KGFVZGFRLRPYLU-ZDUSSCGKSA-N	-1	3	365.441	1.997	20	10		FDCDHM
Cc1cc(Br)c([O-])c(CN2CCC[C@H](S(N)(=O)=O)C2)c1	ZINC000761511238	871390616	/nfs/dbraw/zinc/39/06/16/871390616.db2.gz	NKTRXUWTJSDXMF-NSHDSACASA-N	-1	3	363.277	1.716	20	10		FDCDHM
CN1CCN(c2cccc(-c3noc(-c4cc([O-])[nH]c(=O)c4)n3)c2)CC1	ZINC001212566077	885072269	/nfs/dbraw/zinc/07/22/69/885072269.db2.gz	BFPLCAIBPZBTRP-UHFFFAOYSA-N	-1	3	353.382	1.962	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCOc3ccccc3C2)c1	ZINC000919817062	886207703	/nfs/dbraw/zinc/20/77/03/886207703.db2.gz	PAAPFXYFNRRVPI-UHFFFAOYSA-N	-1	3	362.407	1.799	20	10		FDCDHM
CCOC(=O)c1cc(S(=O)(=O)NCc2c([O-])cccc2F)cn1C	ZINC000921452763	888017132	/nfs/dbraw/zinc/01/71/32/888017132.db2.gz	YVKTYTWSIRZVGS-UHFFFAOYSA-N	-1	3	356.375	1.525	20	10		FDCDHM
CC[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C(=O)OC(C)(C)C	ZINC000770017326	929799650	/nfs/dbraw/zinc/79/96/50/929799650.db2.gz	BUGPLNQRMQLWGO-GFCCVEGCSA-N	-1	3	372.443	1.614	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CCCCC23OCCO3)c1	ZINC000770068003	929820801	/nfs/dbraw/zinc/82/08/01/929820801.db2.gz	RSFUFNJWKVRJSH-AWEZNQCLSA-N	-1	3	370.427	1.179	20	10		FDCDHM
C[C@@H](Cc1ccc(O)cc1)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000771051817	930402770	/nfs/dbraw/zinc/40/27/70/930402770.db2.gz	XAEVEWWBVOJPSL-NSHDSACASA-N	-1	3	364.423	1.830	20	10		FDCDHM
O=C(NC1CC1)C(=O)N1CCN(Cc2ccc3ccccc3c2[O-])CC1	ZINC000816492494	942223579	/nfs/dbraw/zinc/22/35/79/942223579.db2.gz	UHZVJLFFJJVJTH-UHFFFAOYSA-N	-1	3	353.422	1.468	20	10		FDCDHM
COc1ccc(O)c(CNC(=O)c2ncc(-c3nnn[n-]3)cc2Cl)c1	ZINC000821837920	945882080	/nfs/dbraw/zinc/88/20/80/945882080.db2.gz	HVJKXIHFXZEJNV-UHFFFAOYSA-N	-1	3	360.761	1.559	20	10		FDCDHM
COc1ccc(O)c(CNC(=O)c2ncc(-c3nn[n-]n3)cc2Cl)c1	ZINC000821837920	945882092	/nfs/dbraw/zinc/88/20/92/945882092.db2.gz	HVJKXIHFXZEJNV-UHFFFAOYSA-N	-1	3	360.761	1.559	20	10		FDCDHM
COCCNC(=O)CN1CCN(Cc2cc(Cl)c(C)cc2[O-])CC1	ZINC000824535949	946511260	/nfs/dbraw/zinc/51/12/60/946511260.db2.gz	ZUYZYVBCVAXPHY-UHFFFAOYSA-N	-1	3	355.866	1.234	20	10		FDCDHM
CCNS(=O)(=O)[C@H]1CCN(Cc2ccc(Br)cc2[O-])C1	ZINC000825456966	947255690	/nfs/dbraw/zinc/25/56/90/947255690.db2.gz	ZWAHIFHPBKOSPY-LBPRGKRZSA-N	-1	3	363.277	1.668	20	10		FDCDHM
C[C@@H](O)c1cn(C2CN(Cc3ccc(Br)cc3[O-])C2)nn1	ZINC000825460967	947260094	/nfs/dbraw/zinc/26/00/94/947260094.db2.gz	CTRRJZXPOLFRMJ-SECBINFHSA-N	-1	3	353.220	1.856	20	10		FDCDHM
C[C@H]1CC2(CN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])CCOCC2	ZINC000844092281	947710701	/nfs/dbraw/zinc/71/07/01/947710701.db2.gz	BPYCQRGYIUDSBI-LBPRGKRZSA-N	-1	3	368.455	1.795	20	10		FDCDHM
COc1ccc(N(C)CCN(C)C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cc1	ZINC000846446491	951070262	/nfs/dbraw/zinc/07/02/62/951070262.db2.gz	MXOURLRSXKNXLN-UHFFFAOYSA-N	-1	3	367.405	1.787	20	10		FDCDHM
O=C(c1cccc(O)c1[O-])N1CCc2ncc(Cn3cccn3)n2CC1	ZINC001148214422	952648680	/nfs/dbraw/zinc/64/86/80/952648680.db2.gz	RKCJISYMQQQJMR-UHFFFAOYSA-N	-1	3	353.382	1.238	20	10		FDCDHM
O=C(c1cc(O)c([O-])c(O)c1)N1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1	ZINC001148584301	952757815	/nfs/dbraw/zinc/75/78/15/952757815.db2.gz	RNEBLTKDFGNFJI-KUHUBIRLSA-N	-1	3	372.377	1.651	20	10		FDCDHM
COc1ccc2c(c1)NC(=O)C[C@H]2CNC(=O)c1cc(O)c([O-])c(O)c1	ZINC001148589746	952760560	/nfs/dbraw/zinc/76/05/60/952760560.db2.gz	JQKUNRYGHIDUDE-JTQLQIEISA-N	-1	3	358.350	1.668	20	10		FDCDHM
O=C(c1cc(O)c([O-])c(O)c1)N1CCNC(=O)[C@@H]1c1ccc(Cl)cc1	ZINC001148588343	952760592	/nfs/dbraw/zinc/76/05/92/952760592.db2.gz	SXJSOXJUKTYRSH-AWEZNQCLSA-N	-1	3	362.769	1.770	20	10		FDCDHM
CC(C)(C)OC(=O)NC[C@@]1(F)CCN(C(=O)c2cc(O)c([O-])c(O)c2)C1	ZINC001148588340	952760699	/nfs/dbraw/zinc/76/06/99/952760699.db2.gz	SVBAUAZEHHPUAJ-KRWDZBQOSA-N	-1	3	370.377	1.882	20	10		FDCDHM
O=C(N[C@H]1CCN(C(=O)c2ccccc2F)C1)c1cc(O)c([O-])c(O)c1	ZINC001148590257	952761297	/nfs/dbraw/zinc/76/12/97/952761297.db2.gz	GFBDIVHNDXVECC-NSHDSACASA-N	-1	3	360.341	1.587	20	10		FDCDHM
CS(C)(=O)=NS(=O)(=O)NCc1cccc(Br)c1[O-]	ZINC000867194814	971876840	/nfs/dbraw/zinc/87/68/40/971876840.db2.gz	HOLJHMMNZYPSAZ-UHFFFAOYSA-N	-1	3	357.251	1.217	20	10		FDCDHM
CC(=O)c1cc(F)cc(CN(C)Cc2nnc3n2CCN(C)C3=O)c1[O-]	ZINC001197711403	972381937	/nfs/dbraw/zinc/38/19/37/972381937.db2.gz	SYOWGJAAJHMJBG-UHFFFAOYSA-N	-1	3	361.377	1.043	20	10		FDCDHM
CN(c1ccc(-c2nn[n-]n2)cc1)S(=O)(=O)CCc1ccc(N)cc1	ZINC001175429269	963199636	/nfs/dbraw/zinc/19/96/36/963199636.db2.gz	GFRGTYXBNXUCTK-UHFFFAOYSA-N	-1	3	358.427	1.458	20	10		FDCDHM
CCOC(=O)[C@H](C)C1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1	ZINC001177190957	963717934	/nfs/dbraw/zinc/71/79/34/963717934.db2.gz	ZKZYYKCECVLOSH-SNVBAGLBSA-N	-1	3	370.427	1.035	20	10		FDCDHM
O=C(N[C@@H](C(=O)Nc1cc[nH]n1)c1ccccc1)c1cccc(O)c1[O-]	ZINC000776648667	967941991	/nfs/dbraw/zinc/94/19/91/967941991.db2.gz	VXFJFHOVFIXTAJ-OAHLLOKOSA-N	-1	3	352.350	1.931	20	10		FDCDHM
CC[S@](C)(=O)=NS(=O)(=O)[N-][C@@H](C)Cc1ccc(N(C)C)cc1C	ZINC000867408690	975178951	/nfs/dbraw/zinc/17/89/51/975178951.db2.gz	BEZMSKXFASNKGG-XMHCIUCPSA-N	-1	3	361.533	1.944	20	10		FDCDHM
C[C@@H]1[C@H](NCc2c3cc(F)ccc3n(C)c2C(=O)[O-])CCS1(=O)=O	ZINC001599881932	989496952	/nfs/dbraw/zinc/49/69/52/989496952.db2.gz	IHNOPZXAOSYIBQ-NOZJJQNGSA-N	-1	3	354.403	1.681	20	10		FDCDHM
COc1ccc(N2CCN(CCNCc3cc(C(=O)[O-])nn3C)CC2)cc1	ZINC000874040049	989668135	/nfs/dbraw/zinc/66/81/35/989668135.db2.gz	DLGRLKKZHFDACE-UHFFFAOYSA-N	-1	3	373.457	1.039	20	10		FDCDHM
O=C(NCc1c([O-])cccc1F)N[C@@H]1CCC(=O)N[C@H]1[C@H]1CCCO1	ZINC000924065346	994359679	/nfs/dbraw/zinc/35/96/79/994359679.db2.gz	KWXLSULIJWONRA-XNRPHZJLSA-N	-1	3	351.378	1.157	20	10		FDCDHM
C[C@@H]([NH2+]C1CCN(S(=O)(=O)C2CC2)CC1)c1cc(C(=O)[O-])ccc1[O-]	ZINC001593231440	994375801	/nfs/dbraw/zinc/37/58/01/994375801.db2.gz	KJQVYMQVMZKNRV-LLVKDONJSA-N	-1	3	368.455	1.698	20	10		FDCDHM
Cc1noc(C)c1[C@H](C)CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000269814245	674113060	/nfs/dbraw/zinc/11/30/60/674113060.db2.gz	DHWOQZAVEJTCHD-SECBINFHSA-N	-1	3	367.427	1.902	20	10		FDCDHM
CO[C@@]1(C)C[C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1(C)C	ZINC000271442073	674343477	/nfs/dbraw/zinc/34/34/77/674343477.db2.gz	VQAIQONSMGVTOX-BBRMVZONSA-N	-1	3	356.444	1.697	20	10		FDCDHM
Cc1nc(C)c(CCC(=O)NCc2ccc(N3CCOCC3)cc2)c(=O)[n-]1	ZINC000065420351	522818190	/nfs/dbraw/zinc/81/81/90/522818190.db2.gz	YFFBPCIBWNJCRU-UHFFFAOYSA-N	-1	3	370.453	1.472	20	10		FDCDHM
Cc1nc(S(=O)(=O)[N-]Cc2ccc(N3CCOCC3)c(F)c2)cn1C	ZINC000066100971	522953186	/nfs/dbraw/zinc/95/31/86/522953186.db2.gz	NVULKZCWAOTFSW-UHFFFAOYSA-N	-1	3	368.434	1.183	20	10		FDCDHM
CC(=O)c1cc(Cl)cc(CN2CCN(C(=O)CN(C)C)CC2)c1[O-]	ZINC000079755607	523789673	/nfs/dbraw/zinc/78/96/73/523789673.db2.gz	WJCJGZXCBJVXMV-UHFFFAOYSA-N	-1	3	353.850	1.454	20	10		FDCDHM
COCCOCC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1	ZINC000158055042	524393460	/nfs/dbraw/zinc/39/34/60/524393460.db2.gz	PBMWMHXJMZRQRL-OAHLLOKOSA-N	-1	3	356.850	1.789	20	10		FDCDHM
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)[C@]1(O)CCSC1	ZINC000158648103	524505350	/nfs/dbraw/zinc/50/53/50/524505350.db2.gz	RJOGEJSFGQRXON-YOEHRIQHSA-N	-1	3	370.902	1.994	20	10		FDCDHM
COC(=O)CN(CC(=O)NCC(F)(F)F)Cc1cc(Cl)ccc1[O-]	ZINC000109779693	526181627	/nfs/dbraw/zinc/18/16/27/526181627.db2.gz	GANPVTNWKYIDHW-UHFFFAOYSA-N	-1	3	368.739	1.699	20	10		FDCDHM
Cc1cc(Br)cc(CN2CCC[C@@]3(C2)NC(=O)NC3=O)c1[O-]	ZINC000193473577	537248888	/nfs/dbraw/zinc/24/88/88/537248888.db2.gz	SENYTMSFXSPETP-HNNXBMFYSA-N	-1	3	368.231	1.637	20	10		FDCDHM
Cc1cc(Br)cc(CN2CCC[C@]3(C2)NC(=O)NC3=O)c1[O-]	ZINC000193473563	537249062	/nfs/dbraw/zinc/24/90/62/537249062.db2.gz	SENYTMSFXSPETP-OAHLLOKOSA-N	-1	3	368.231	1.637	20	10		FDCDHM
COc1cccc(CNC(=O)CCc2ccc(-c3nnn[n-]3)cc2)c1O	ZINC000737130092	598321274	/nfs/dbraw/zinc/32/12/74/598321274.db2.gz	BIJGXYFDCWJDKD-UHFFFAOYSA-N	-1	3	353.382	1.830	20	10		FDCDHM
COc1cccc(CNC(=O)CCc2ccc(-c3nn[n-]n3)cc2)c1O	ZINC000737130092	598321276	/nfs/dbraw/zinc/32/12/76/598321276.db2.gz	BIJGXYFDCWJDKD-UHFFFAOYSA-N	-1	3	353.382	1.830	20	10		FDCDHM
CCOC(=O)c1cnn2c1[nH]c(CN[C@H](C(=O)[O-])c1ccccc1)cc2=O	ZINC000737155226	599759916	/nfs/dbraw/zinc/75/99/16/599759916.db2.gz	RVBPBIKVKXFLIT-HNNXBMFYSA-N	-1	3	370.365	1.527	20	10		FDCDHM
O=C([O-])/C=C\c1ccc(N2CCN(C[C@@H]3CCOC3)CC2)c([N+](=O)[O-])c1	ZINC000833196228	601411065	/nfs/dbraw/zinc/41/10/65/601411065.db2.gz	OQQJBRVAIXGANL-HKLWWIALSA-N	-1	3	361.398	1.851	20	10		FDCDHM
O=C(NCc1ccc(N2CCSCC2)cc1)c1ccc(-c2nnn[n-]2)[nH]1	ZINC000826441950	607701780	/nfs/dbraw/zinc/70/17/80/607701780.db2.gz	CFKWJTWWFPJECR-UHFFFAOYSA-N	-1	3	369.454	1.678	20	10		FDCDHM
O=C(NCc1ccc(N2CCSCC2)cc1)c1ccc(-c2nn[n-]n2)[nH]1	ZINC000826441950	607701782	/nfs/dbraw/zinc/70/17/82/607701782.db2.gz	CFKWJTWWFPJECR-UHFFFAOYSA-N	-1	3	369.454	1.678	20	10		FDCDHM
Cc1cc(C(=O)NC2(CO)CC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1	ZINC000826258742	608471212	/nfs/dbraw/zinc/47/12/12/608471212.db2.gz	UVMSZVORGZSFQV-UHFFFAOYSA-N	-1	3	352.398	1.529	20	10		FDCDHM
COc1c([O-])c(CN2CCN(CCOC(C)C)CC2)ccc1[N+](=O)[O-]	ZINC000278321399	675121715	/nfs/dbraw/zinc/12/17/15/675121715.db2.gz	YCRKTTIGKGUFGE-UHFFFAOYSA-N	-1	3	353.419	1.852	20	10		FDCDHM
O=C(CN1CCN(Cc2cc(Br)ccc2[O-])CC1)NC1CC1	ZINC000120740360	671695047	/nfs/dbraw/zinc/69/50/47/671695047.db2.gz	HLBAVRYCLFKTFP-UHFFFAOYSA-N	-1	3	368.275	1.551	20	10		FDCDHM
CCOC[C@@H]1CCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1	ZINC000265055681	672928858	/nfs/dbraw/zinc/92/88/58/672928858.db2.gz	UWHIQMOULJLMOL-GFCCVEGCSA-N	-1	3	356.444	1.652	20	10		FDCDHM
COCCCN(Cc1cc(F)cc(C(C)=O)c1[O-])[C@@H]1CCS(=O)(=O)C1	ZINC000267460399	673306297	/nfs/dbraw/zinc/30/62/97/673306297.db2.gz	RVMPTZQHXYZZCU-OAHLLOKOSA-N	-1	3	373.446	1.760	20	10		FDCDHM
CCn1cc([C@H](C)NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cn1	ZINC000296890550	676421762	/nfs/dbraw/zinc/42/17/62/676421762.db2.gz	IIKUTFOYSCKYRE-JTQLQIEISA-N	-1	3	352.416	1.471	20	10		FDCDHM
O=C(NCC1CC1)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1	ZINC000372765479	677973595	/nfs/dbraw/zinc/97/35/95/677973595.db2.gz	JLVMSDAKWFCUTF-HNNXBMFYSA-N	-1	3	365.861	1.652	20	10		FDCDHM
CN(C)S(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)cc2F)cc1	ZINC000780837239	769484865	/nfs/dbraw/zinc/48/48/65/769484865.db2.gz	FARNLNIKYGFCJC-UHFFFAOYSA-N	-1	3	374.415	1.582	20	10		FDCDHM
COc1ccnc(N2CCN(Cc3cc(F)cc(C(C)=O)c3[O-])CC2)n1	ZINC000177269390	785303620	/nfs/dbraw/zinc/30/36/20/785303620.db2.gz	XYPYNHPMOWQTMK-UHFFFAOYSA-N	-1	3	360.389	1.855	20	10		FDCDHM
CO[C@@H]1CS(=O)(=O)C[C@@H]1NCc1c([O-])cccc1Br	ZINC000706805228	886654125	/nfs/dbraw/zinc/65/41/25/886654125.db2.gz	SYJXOYZPPHYXOU-CMPLNLGQSA-N	-1	3	350.234	1.056	20	10		FDCDHM
Cn1cc(N2CCC[C@H](NC(=O)NCc3c([O-])cccc3F)C2=O)cn1	ZINC000920347280	886879043	/nfs/dbraw/zinc/87/90/43/886879043.db2.gz	ZJRJHDAPNFWKOF-AWEZNQCLSA-N	-1	3	361.377	1.260	20	10		FDCDHM
Cc1cc(N2CC[C@H](NC(=O)NCc3c([O-])cccc3F)C2=O)n(C)n1	ZINC000920784678	887223224	/nfs/dbraw/zinc/22/32/24/887223224.db2.gz	NEMWVDQBYPWQTK-ZDUSSCGKSA-N	-1	3	361.377	1.178	20	10		FDCDHM
CC(C)CC[C@@](C)(O)CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000743715123	926444173	/nfs/dbraw/zinc/44/41/73/926444173.db2.gz	GWTKFPNOFGUVMC-MRXNPFEDSA-N	-1	3	358.460	1.681	20	10		FDCDHM
CO[C@H](CCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C(F)(F)F	ZINC000787467134	932300956	/nfs/dbraw/zinc/30/09/56/932300956.db2.gz	PFDOSCAAMVICCM-LLVKDONJSA-N	-1	3	370.349	1.461	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC[C@H](O)c2ccccc2F)c1	ZINC000746710847	932454783	/nfs/dbraw/zinc/45/47/83/932454783.db2.gz	GTEMSTMHLMYUDR-HNNXBMFYSA-N	-1	3	368.386	1.366	20	10		FDCDHM
CCc1nocc1CN(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000818555441	943282506	/nfs/dbraw/zinc/28/25/06/943282506.db2.gz	FQSCEYRJKNMOOJ-UHFFFAOYSA-N	-1	3	353.400	1.586	20	10		FDCDHM
O=C(c1cccc(O)c1[O-])N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC000819207994	943485457	/nfs/dbraw/zinc/48/54/57/943485457.db2.gz	NMVASVVLLNTUCQ-UHFFFAOYSA-N	-1	3	371.349	1.604	20	10		FDCDHM
Cc1cc([O-])c(CN2CCN(C(=O)C(=O)NC3CC3)CC2)cc1Cl	ZINC000824592656	946567544	/nfs/dbraw/zinc/56/75/44/946567544.db2.gz	IPFGZXYMGZRCML-UHFFFAOYSA-N	-1	3	351.834	1.277	20	10		FDCDHM
O=C(c1cc(O)c([O-])c(O)c1)N1CC[C@@H](F)[C@](O)(C(F)(F)F)CC1	ZINC001148581879	952757029	/nfs/dbraw/zinc/75/70/29/952757029.db2.gz	FCRSSDCZNQVTHM-MFKMUULPSA-N	-1	3	353.268	1.671	20	10		FDCDHM
O=C(Nc1ncnc2c1ncn2[C@@H]1CCCO1)c1cc(O)c([O-])c(O)c1	ZINC001148579818	952757174	/nfs/dbraw/zinc/75/71/74/952757174.db2.gz	ABLCBMTZAGLUGC-NSHDSACASA-N	-1	3	357.326	1.504	20	10		FDCDHM
O=C(c1cc(O)c([O-])c(O)c1)N1CCC2(CCN(CC3CC3)C2=O)CC1	ZINC001148587066	952759923	/nfs/dbraw/zinc/75/99/23/952759923.db2.gz	CCEGQSOKXLVFJE-UHFFFAOYSA-N	-1	3	360.410	1.668	20	10		FDCDHM
CCOC(=O)C[C@H](NC(=O)c1cc(O)c([O-])c(O)c1)c1cccc(O)c1	ZINC001148590766	952761043	/nfs/dbraw/zinc/76/10/43/952761043.db2.gz	OWEKXCFQZBOJJP-ZDUSSCGKSA-N	-1	3	361.350	1.933	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC(Cc3ccco3)C2)c1	ZINC000862865154	972415685	/nfs/dbraw/zinc/41/56/85/972415685.db2.gz	OOAOUNDVZKPROH-UHFFFAOYSA-N	-1	3	350.396	1.671	20	10		FDCDHM
O=C(CNC(=O)c1ccc([O-])cc1)N1CCCc2cc(O)c(O)cc2C1	ZINC001182968339	962702220	/nfs/dbraw/zinc/70/22/20/962702220.db2.gz	ACYOMMKJQXYTLB-UHFFFAOYSA-N	-1	3	356.378	1.508	20	10		FDCDHM
CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCc1c([O-])cccc1F	ZINC001178412868	964227417	/nfs/dbraw/zinc/22/74/17/964227417.db2.gz	IQYXLYLCZZHGQD-GFCCVEGCSA-N	-1	3	365.365	1.988	20	10		FDCDHM
O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccn1)c1cccc(O)c1[O-]	ZINC000795979367	1013550471	/nfs/dbraw/zinc/55/04/71/1013550471.db2.gz	CCELWKCEYZCISL-UHFFFAOYSA-N	-1	3	363.395	1.530	20	10		FDCDHM
O=C(NCc1cccc(NS(=O)(=O)C2CC2)c1)c1cccc(O)c1[O-]	ZINC001180286051	965219581	/nfs/dbraw/zinc/21/95/81/965219581.db2.gz	BGQGWZBVSQNZDA-UHFFFAOYSA-N	-1	3	362.407	1.932	20	10		FDCDHM
CN(C)CC(=O)N[C@H]1CC[C@H](NC(=O)c2ccc(O)c([O-])c2Cl)CC1	ZINC001193246792	969574088	/nfs/dbraw/zinc/57/40/88/969574088.db2.gz	BTKBYSRZLBMWRW-XYPYZODXSA-N	-1	3	369.849	1.470	20	10		FDCDHM
CC(C)(C)OC(=O)N1CCOC[C@@H]1CNC(=O)c1cccc(O)c1[O-]	ZINC000862981399	972539966	/nfs/dbraw/zinc/53/99/66/972539966.db2.gz	BDLIQVCAMKTNRZ-NSHDSACASA-N	-1	3	352.387	1.464	20	10		FDCDHM
Cc1nocc1S(=O)(=O)[N-]Cc1cc(F)c(N2CCOCC2)c(F)c1	ZINC000867382910	974969721	/nfs/dbraw/zinc/96/97/21/974969721.db2.gz	SRBOWNGPSZOBIR-UHFFFAOYSA-N	-1	3	373.381	1.576	20	10		FDCDHM
O=C([O-])c1cnn2c1[nH]c(CN1CCC3(CCC(O)CC3)CC1)cc2=O	ZINC000851709285	979009163	/nfs/dbraw/zinc/00/91/63/979009163.db2.gz	VSRQJIAAALFHCO-UHFFFAOYSA-N	-1	3	360.414	1.650	20	10		FDCDHM
C[C@H](NCc1nnc2n1CCNC2=O)c1ccc(Br)cc1[O-]	ZINC000883303716	982060153	/nfs/dbraw/zinc/06/01/53/982060153.db2.gz	FAZHTGGSKHSVRP-QMMMGPOBSA-N	-1	3	366.219	1.340	20	10		FDCDHM
Cn1nccc1[C@@H](NCc1ccc(N2CCN(C)CC2)c(F)c1)C(=O)[O-]	ZINC001118176733	982943845	/nfs/dbraw/zinc/94/38/45/982943845.db2.gz	HBFKIMHUALMVJK-QGZVFWFLSA-N	-1	3	361.421	1.227	20	10		FDCDHM
COC(=O)C[C@H]1CS(=O)(=O)CCN1Cc1c([O-])ccc2ccccc21	ZINC000872677165	987957761	/nfs/dbraw/zinc/95/77/61/987957761.db2.gz	HUVZBSMGMYQBHY-AWEZNQCLSA-N	-1	3	363.435	1.708	20	10		FDCDHM
COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@@H]1CCC2(COC2)O1	ZINC000929974804	1002682382	/nfs/dbraw/zinc/68/23/82/1002682382.db2.gz	BDUROEJVHVHRIK-AWEZNQCLSA-N	-1	3	355.818	1.969	20	10		FDCDHM
CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000267894147	674027842	/nfs/dbraw/zinc/02/78/42/674027842.db2.gz	VBZSIOSOPQHOEL-WBMJQRKESA-N	-1	3	370.471	1.945	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC[C@@H]2CSCCS2)c1	ZINC000268000950	674052112	/nfs/dbraw/zinc/05/21/12/674052112.db2.gz	NSIBQVAGOHMGRI-SNVBAGLBSA-N	-1	3	362.498	1.342	20	10		FDCDHM
CC(C)[C@H]([N-]S(C)(=O)=O)C(=O)N1CCOc2cc(N(C)C)ccc21	ZINC000555347465	543945890	/nfs/dbraw/zinc/94/58/90/543945890.db2.gz	QSBNSBOBKYTSLT-HNNXBMFYSA-N	-1	3	355.460	1.052	20	10		FDCDHM
CC(C)(C(N)=O)N1CCN(Cc2cc(Br)ccc2[O-])CC1	ZINC000271181989	674319322	/nfs/dbraw/zinc/31/93/22/674319322.db2.gz	KAHLPXLRJCTWIX-UHFFFAOYSA-N	-1	3	356.264	1.536	20	10		FDCDHM
O=S1(=O)CC[C@H](N2CCN(Cc3c([O-])ccc4ccccc43)CC2)C1	ZINC000022847048	518916640	/nfs/dbraw/zinc/91/66/40/518916640.db2.gz	SFAXLFMVCLUFGU-INIZCTEOSA-N	-1	3	360.479	1.850	20	10		FDCDHM
Cc1nc(CCNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cs1	ZINC000055184279	523762117	/nfs/dbraw/zinc/76/21/17/523762117.db2.gz	JGMIUKPXACYRKQ-UHFFFAOYSA-N	-1	3	355.441	1.501	20	10		FDCDHM
CCCCN(C(=O)CN(C)Cc1ccccc1[O-])[C@@H]1CCS(=O)(=O)C1	ZINC000111236484	524233253	/nfs/dbraw/zinc/23/32/53/524233253.db2.gz	UZICEYUYEWDGIH-MRXNPFEDSA-N	-1	3	368.499	1.640	20	10		FDCDHM
O=S(=O)(CCNCc1c([O-])cccc1Cl)N1CCSCC1	ZINC000113339522	524671159	/nfs/dbraw/zinc/67/11/59/524671159.db2.gz	OUZIYGVUMNXIKK-UHFFFAOYSA-N	-1	3	350.893	1.514	20	10		FDCDHM
CC(=O)c1cc(F)cc(CN2CCN(C(=O)[C@H]3CCCN3C)CC2)c1[O-]	ZINC000162633173	525289140	/nfs/dbraw/zinc/28/91/40/525289140.db2.gz	GSEDNNPCDBMQQQ-QGZVFWFLSA-N	-1	3	363.433	1.472	20	10		FDCDHM
COCCn1nnc2c1CCN(Cc1cc(Br)ccc1[O-])C2	ZINC000293702004	537566879	/nfs/dbraw/zinc/56/68/79/537566879.db2.gz	ROECIRPRZUMEDY-UHFFFAOYSA-N	-1	3	367.247	1.951	20	10		FDCDHM
C[C@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCN(C2CC2)C1	ZINC000295321114	537712182	/nfs/dbraw/zinc/71/21/82/537712182.db2.gz	LCNZYFSEAQAEMP-GFCCVEGCSA-N	-1	3	367.471	1.320	20	10		FDCDHM
COc1ccc2c(c1)c1c(n2CC(=O)[N-]c2nnc3[nH]cnn23)CCCC1	ZINC000614995929	555147033	/nfs/dbraw/zinc/14/70/33/555147033.db2.gz	DRXHZXRSDCVLKT-UHFFFAOYSA-N	-1	3	365.397	1.933	20	10		FDCDHM
COc1cccc(CNC(=O)COc2cccc(-c3nnn[n-]3)c2)c1O	ZINC000737132472	598510724	/nfs/dbraw/zinc/51/07/24/598510724.db2.gz	YTRGXLYBJSUPLF-UHFFFAOYSA-N	-1	3	355.354	1.276	20	10		FDCDHM
COc1cccc(CNC(=O)COc2cccc(-c3nn[n-]n3)c2)c1O	ZINC000737132472	598510726	/nfs/dbraw/zinc/51/07/26/598510726.db2.gz	YTRGXLYBJSUPLF-UHFFFAOYSA-N	-1	3	355.354	1.276	20	10		FDCDHM
Cc1cc(C(=O)OCC(=O)N(C)C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1	ZINC000737243999	598623656	/nfs/dbraw/zinc/62/36/56/598623656.db2.gz	WQYRJRRSYIBSEQ-UHFFFAOYSA-N	-1	3	368.397	1.519	20	10		FDCDHM
O=C([O-])/C=C/c1ccc(N2CCN(C[C@H]3CCOC3)CC2)c([N+](=O)[O-])c1	ZINC000833196231	601411095	/nfs/dbraw/zinc/41/10/95/601411095.db2.gz	OQQJBRVAIXGANL-TXTHVTMNSA-N	-1	3	361.398	1.851	20	10		FDCDHM
NC(=O)[C@H]1CCCN(c2ccc(CN[C@H](C(=O)[O-])c3cccnc3)cc2)C1	ZINC000833082062	604995298	/nfs/dbraw/zinc/99/52/98/604995298.db2.gz	ZNPUCZVVHGBASJ-WMZOPIPTSA-N	-1	3	368.437	1.699	20	10		FDCDHM
O=C([O-])N1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2[O-])C1	ZINC000834024517	605692676	/nfs/dbraw/zinc/69/26/76/605692676.db2.gz	DGALLEKSLINZQS-ZBFHGGJFSA-N	-1	3	361.442	1.863	20	10		FDCDHM
O=C([O-])N1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2[O-])C1	ZINC000834024517	605692678	/nfs/dbraw/zinc/69/26/78/605692678.db2.gz	DGALLEKSLINZQS-ZBFHGGJFSA-N	-1	3	361.442	1.863	20	10		FDCDHM
O=S(=O)(CCSc1nccs1)c1ccc(-c2nnn[n-]2)cc1	ZINC000823561309	606330581	/nfs/dbraw/zinc/33/05/81/606330581.db2.gz	CONBHWPHGRHQGZ-UHFFFAOYSA-N	-1	3	353.454	1.889	20	10		FDCDHM
O=S(=O)(CCSc1nccs1)c1ccc(-c2nn[n-]n2)cc1	ZINC000823561309	606330582	/nfs/dbraw/zinc/33/05/82/606330582.db2.gz	CONBHWPHGRHQGZ-UHFFFAOYSA-N	-1	3	353.454	1.889	20	10		FDCDHM
O=C(NCCc1ccc(O)c(O)c1)Nc1ccc(F)c(-c2nnn[n-]2)c1	ZINC000823223775	606660938	/nfs/dbraw/zinc/66/09/38/606660938.db2.gz	IPLALIVVMBGAPF-UHFFFAOYSA-N	-1	3	358.333	1.781	20	10		FDCDHM
O=C(NCCc1ccc(O)c(O)c1)Nc1ccc(F)c(-c2nn[n-]n2)c1	ZINC000823223775	606660939	/nfs/dbraw/zinc/66/09/39/606660939.db2.gz	IPLALIVVMBGAPF-UHFFFAOYSA-N	-1	3	358.333	1.781	20	10		FDCDHM
COc1ccc(O)c([C@H](C)NC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)c1	ZINC000826210502	609250842	/nfs/dbraw/zinc/25/08/42/609250842.db2.gz	UIUIBYQUERHOBL-MGPLVRAMSA-N	-1	3	369.381	1.492	20	10		FDCDHM
COc1ccc(O)c([C@H](C)NC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)c1	ZINC000826210502	609250843	/nfs/dbraw/zinc/25/08/43/609250843.db2.gz	UIUIBYQUERHOBL-MGPLVRAMSA-N	-1	3	369.381	1.492	20	10		FDCDHM
O=C(CN1CCN(Cc2cc(Cl)ccc2[O-])CC1)N1CCOCC1	ZINC000119965696	671682083	/nfs/dbraw/zinc/68/20/83/671682083.db2.gz	LBTUMZNHXGMTQY-UHFFFAOYSA-N	-1	3	353.850	1.022	20	10		FDCDHM
O=C([C@H]1CCCO1)N1CCN(Cc2cc(Br)ccc2[O-])CC1	ZINC000160959029	672006156	/nfs/dbraw/zinc/00/61/56/672006156.db2.gz	YWYXNLBOBKSMLR-OAHLLOKOSA-N	-1	3	369.259	1.978	20	10		FDCDHM
CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C	ZINC000189425575	672309106	/nfs/dbraw/zinc/30/91/06/672309106.db2.gz	YCCNRJGGDJQLHN-UHFFFAOYSA-N	-1	3	361.423	1.946	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC[C@@H]3[C@H]2[C@H]3C(F)(F)F)c1	ZINC000371092069	677645938	/nfs/dbraw/zinc/64/59/38/677645938.db2.gz	YSOMUSRPVCZTKA-UWJYBYFXSA-N	-1	3	364.345	1.787	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC23CCC(CO)CC3)c1	ZINC000371469670	677705394	/nfs/dbraw/zinc/70/53/94/677705394.db2.gz	GDSVLJFRVFRSIL-UHFFFAOYSA-N	-1	3	368.455	1.531	20	10		FDCDHM
CN(C)c1ccc([C@@H](CNC(=O)c2c[n-]n3c2nccc3=O)N(C)C)cc1	ZINC000891247080	774091598	/nfs/dbraw/zinc/09/15/98/774091598.db2.gz	HEMTXCRPMQSHNY-MRXNPFEDSA-N	-1	3	368.441	1.121	20	10		FDCDHM
O=S(=O)(c1cc[nH]n1)N1CCN(Cc2cc(Cl)ccc2[O-])CC1	ZINC000894978620	819430068	/nfs/dbraw/zinc/43/00/68/819430068.db2.gz	NIZZXPBSAOULEV-UHFFFAOYSA-N	-1	3	356.835	1.275	20	10		FDCDHM
CN(C)c1ccc([C@@H](C[N-]S(=O)(=O)c2cscn2)N(C)C)cc1	ZINC000908459250	855443744	/nfs/dbraw/zinc/44/37/44/855443744.db2.gz	DDIBPWHMQBZHAF-CQSZACIVSA-N	-1	3	354.501	1.790	20	10		FDCDHM
O=C(NCc1c([O-])cccc1F)N[C@H]1CCC(=O)N[C@@H]1[C@@H]1CCCO1	ZINC000922518369	878436766	/nfs/dbraw/zinc/43/67/66/878436766.db2.gz	KWXLSULIJWONRA-NOLJZWGESA-N	-1	3	351.378	1.157	20	10		FDCDHM
O=C(NCc1c([O-])cccc1F)N[C@@H]1CCCN(Cc2ccccn2)C1=O	ZINC000921917843	892877122	/nfs/dbraw/zinc/87/71/22/892877122.db2.gz	OJCGUCZPCCWKLK-MRXNPFEDSA-N	-1	3	372.400	1.917	20	10		FDCDHM
CC(=O)c1cc(CN(C)CCn2cccn2)c([O-])c(CN2CCOCC2)c1	ZINC000732184797	919197151	/nfs/dbraw/zinc/19/71/51/919197151.db2.gz	GKSCUHSEXFVIGP-UHFFFAOYSA-N	-1	3	372.469	1.756	20	10		FDCDHM
CC(C)[C@@H]1CN(C)CCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000769904199	929729987	/nfs/dbraw/zinc/72/99/87/929729987.db2.gz	DUZXAMCXFKGPJZ-AWEZNQCLSA-N	-1	3	355.460	1.176	20	10		FDCDHM
C[C@H](C[C@H](O)c1ccco1)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000769985527	929784553	/nfs/dbraw/zinc/78/45/53/929784553.db2.gz	JWCMXDQIZFGCFS-YGRLFVJLSA-N	-1	3	368.411	1.599	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H](CO)c2cccc(F)c2)c1	ZINC000771114300	930466186	/nfs/dbraw/zinc/46/61/86/930466186.db2.gz	BMZASEWYHIEBRL-AWEZNQCLSA-N	-1	3	368.386	1.366	20	10		FDCDHM
O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)c1cccc(O)c1[O-]	ZINC000790577351	933628484	/nfs/dbraw/zinc/62/84/84/933628484.db2.gz	PFZICQOQBVTZBU-UHFFFAOYSA-N	-1	3	362.407	1.585	20	10		FDCDHM
Cc1ccc(C(=O)Nc2ccc(F)c(N3C(=O)CNC3=O)c2)c([O-])c1O	ZINC000794300259	938383158	/nfs/dbraw/zinc/38/31/58/938383158.db2.gz	KICLZZMPXPJIQB-UHFFFAOYSA-N	-1	3	359.313	1.854	20	10		FDCDHM
CN1CCN(C)[C@H](CNC(=O)NCc2cc(Cl)cc(Cl)c2[O-])C1	ZINC000805101757	938661541	/nfs/dbraw/zinc/66/15/41/938661541.db2.gz	DPTXKKSTZHDFEE-GFCCVEGCSA-N	-1	3	361.273	1.744	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC[C@@H]2COc3ccccc32)c1	ZINC000811562434	941142209	/nfs/dbraw/zinc/14/22/09/941142209.db2.gz	DTVIYMGOZLEGCG-LLVKDONJSA-N	-1	3	362.407	1.670	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC3(CCCC3=O)CC2)c1	ZINC000856018738	970853253	/nfs/dbraw/zinc/85/32/53/970853253.db2.gz	SPKGADUWUWQKJU-UHFFFAOYSA-N	-1	3	366.439	1.739	20	10		FDCDHM
COC(=O)C[C@H]1C(=O)NCCN1Cc1ccc(Br)cc1[O-]	ZINC000824509416	946527284	/nfs/dbraw/zinc/52/72/84/946527284.db2.gz	YFIJUVPJTPLVDE-NSHDSACASA-N	-1	3	357.204	1.018	20	10		FDCDHM
Cc1cc([O-])c(CN2CCN(C(=O)C(=O)NC(C)C)CC2)cc1Cl	ZINC000824541564	946553442	/nfs/dbraw/zinc/55/34/42/946553442.db2.gz	DLFZWJRIOIIWCT-UHFFFAOYSA-N	-1	3	353.850	1.523	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@]3(CCOC3)C2)c1	ZINC000857528990	971791978	/nfs/dbraw/zinc/79/19/78/971791978.db2.gz	ZTFAZGNICAUCBC-MRXNPFEDSA-N	-1	3	354.428	1.406	20	10		FDCDHM
O=C(c1cccc(O)c1[O-])N1C[C@@H](OCc2cccnc2)[C@H]2COC[C@H]21	ZINC001148213875	952648465	/nfs/dbraw/zinc/64/84/65/952648465.db2.gz	MATWNYHAYVYTCC-ZMSDIMECSA-N	-1	3	356.378	1.549	20	10		FDCDHM
CC(C)(C)OC(=O)N1CC[C@H](OCCNC(=O)c2cccc(O)c2[O-])C1	ZINC001148224354	952654338	/nfs/dbraw/zinc/65/43/38/952654338.db2.gz	IDDYZCDPFAGYKQ-LBPRGKRZSA-N	-1	3	366.414	1.854	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCCC(F)(F)[C@H]2O)c1	ZINC000839891594	952817457	/nfs/dbraw/zinc/81/74/57/952817457.db2.gz	JQLCKFSINWOLDT-PWSUYJOCSA-N	-1	3	364.370	1.042	20	10		FDCDHM
CN(C)c1ccc([C@H](CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)N(C)C)cc1	ZINC001593708939	954170003	/nfs/dbraw/zinc/17/00/03/954170003.db2.gz	LPSQMLQILQJERJ-VYDXJSESSA-N	-1	3	362.474	1.908	20	10		FDCDHM
CC(=O)c1cc(Cl)cc(CN[C@@](C)(Cn2cccn2)C(N)=O)c1[O-]	ZINC001176861272	963573921	/nfs/dbraw/zinc/57/39/21/963573921.db2.gz	WPSORJKIIZNHFJ-INIZCTEOSA-N	-1	3	350.806	1.479	20	10		FDCDHM
O=C(CNC(=O)C1CCN(Cc2ccccn2)CC1)c1ccc([O-])c(O)c1	ZINC001177214066	963707999	/nfs/dbraw/zinc/70/79/99/963707999.db2.gz	AYAMBXZHFVNKRM-UHFFFAOYSA-N	-1	3	369.421	1.704	20	10		FDCDHM
NC(=O)[C@H]1CC(C(=O)NCc2c([O-])cccc2F)=NN1c1ccccc1	ZINC001178409583	964226553	/nfs/dbraw/zinc/22/65/53/964226553.db2.gz	GPWHWWZHMMOLQN-OAHLLOKOSA-N	-1	3	356.357	1.268	20	10		FDCDHM
Cc1cc(Br)c([O-])c(CNCc2nnc3c(=O)[nH]ccn23)c1	ZINC001179611187	964928683	/nfs/dbraw/zinc/92/86/83/964928683.db2.gz	HFFVLSDMZVEOEU-UHFFFAOYSA-N	-1	3	364.203	1.484	20	10		FDCDHM
O=C(c1cc(O)c([O-])c(Cl)c1)N1C[C@H]2CN(CC3CC3)C[C@@H](C1)O2	ZINC001193604276	969790545	/nfs/dbraw/zinc/79/05/45/969790545.db2.gz	UDVAJKIKISFKSX-BETUJISGSA-N	-1	3	352.818	1.686	20	10		FDCDHM
COc1ccc(N2CC[C@H](NC(=O)c3ccc4c(c3)C(=O)[N-]C4=O)C2)cc1	ZINC000855231621	970226701	/nfs/dbraw/zinc/22/67/01/970226701.db2.gz	MZQCFVJMNPDQTK-ZDUSSCGKSA-N	-1	3	365.389	1.588	20	10		FDCDHM
COc1ccc(N2CC[C@@H](C[N-]S(=O)(=O)N=S(C)(C)=O)C2)cc1	ZINC000867428295	975237916	/nfs/dbraw/zinc/23/79/16/975237916.db2.gz	IUMDOOHVUTZCQY-LBPRGKRZSA-N	-1	3	361.489	1.084	20	10		FDCDHM
CN(C)S(=O)(=O)c1ccccc1CNC(=O)c1cccc(O)c1[O-]	ZINC000776326536	975748839	/nfs/dbraw/zinc/74/88/39/975748839.db2.gz	JNEDRUSCPXMGQQ-UHFFFAOYSA-N	-1	3	350.396	1.278	20	10		FDCDHM
O=C(Nc1ccc(N2CCNC(=O)C2)c(Cl)c1)c1cccc(O)c1[O-]	ZINC000776332340	975913401	/nfs/dbraw/zinc/91/34/01/975913401.db2.gz	CFLMUGNJJOQZPU-UHFFFAOYSA-N	-1	3	361.785	1.940	20	10		FDCDHM
COc1ccc(N2CCC([N-]S(=O)(=O)c3c[nH]c(=O)s3)CC2)cc1	ZINC000866709579	975940548	/nfs/dbraw/zinc/94/05/48/975940548.db2.gz	KYFAMMGXNVPNEL-UHFFFAOYSA-N	-1	3	369.468	1.805	20	10		FDCDHM
CN1CCN(c2ccc(CNS(=O)(=O)c3ccccc3[O-])cc2)CC1	ZINC000882663615	980803984	/nfs/dbraw/zinc/80/39/84/980803984.db2.gz	TZKBGTCOJATZAK-UHFFFAOYSA-N	-1	3	361.467	1.623	20	10		FDCDHM
C[C@@H](O)c1cn(C2CN(Cc3c([O-])cccc3Br)C2)nn1	ZINC000862303380	984321292	/nfs/dbraw/zinc/32/12/92/984321292.db2.gz	QHQRDTSSKUZWMF-SECBINFHSA-N	-1	3	353.220	1.856	20	10		FDCDHM
COC(=O)CNC(=O)[C@@H]1CCCN1Cc1c([O-])cccc1Br	ZINC000862396693	984374062	/nfs/dbraw/zinc/37/40/62/984374062.db2.gz	WMQQVIOUZUCKTM-LBPRGKRZSA-N	-1	3	371.231	1.408	20	10		FDCDHM
COC(=O)c1ccc(S(=O)(=O)[N-]Cc2cccc(OC)c2O)c(F)c1	ZINC000795115429	985940521	/nfs/dbraw/zinc/94/05/21/985940521.db2.gz	LUGCJCWCXSEADA-UHFFFAOYSA-N	-1	3	369.370	1.805	20	10		FDCDHM
CC(=O)c1cc(F)cc(CN2CCC(NC(=O)c3cnn(C)c3)CC2)c1[O-]	ZINC000370168895	989512469	/nfs/dbraw/zinc/51/24/69/989512469.db2.gz	JPRFYYIEHLVBJM-UHFFFAOYSA-N	-1	3	374.416	1.862	20	10		FDCDHM
CN(C)c1ccc([C@@H](CNC(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)N(C)C)cc1	ZINC001598313084	991287057	/nfs/dbraw/zinc/28/70/57/991287057.db2.gz	BQKPUWZQPXYSAF-TWMKSMIVSA-N	-1	3	360.458	1.327	20	10		FDCDHM
CN(C)c1ccc([C@H](CNC(=O)Cc2ccc(C(=O)[O-])nc2)N(C)C)cc1	ZINC001598313626	991290986	/nfs/dbraw/zinc/29/09/86/991290986.db2.gz	RYFFMGSQGXGWCZ-SFHVURJKSA-N	-1	3	370.453	1.807	20	10		FDCDHM
C[C@H]([NH2+]C[C@]1(CO)COCC2(CCC2)N1C)c1cc(C(=O)[O-])ccc1[O-]	ZINC001593248114	994468891	/nfs/dbraw/zinc/46/88/91/994468891.db2.gz	IZRQCFZMODUQPS-DJJJIMSYSA-N	-1	3	364.442	1.357	20	10		FDCDHM
O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCc1c([O-])cccc1F	ZINC000928710623	1001632988	/nfs/dbraw/zinc/63/29/88/1001632988.db2.gz	VIGAREQCDIJNDV-NOLJZWGESA-N	-1	3	367.446	1.873	20	10		FDCDHM
CCC(CC)(CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C(=O)OC	ZINC000269868772	674124848	/nfs/dbraw/zinc/12/48/48/674124848.db2.gz	TWFRFMIKWZJBQV-UHFFFAOYSA-N	-1	3	372.443	1.473	20	10		FDCDHM
Cc1ncc(S(=O)(=O)[N-]Cc2ccc(N3CCOCC3)cc2)s1	ZINC000269989399	674148249	/nfs/dbraw/zinc/14/82/49/674148249.db2.gz	OUYWGMFDDNEQGL-UHFFFAOYSA-N	-1	3	353.469	1.767	20	10		FDCDHM
CS(=O)(=O)NC[C@H]1CCCN(Cc2cc(Cl)c(F)cc2[O-])C1	ZINC000294781370	676397168	/nfs/dbraw/zinc/39/71/68/676397168.db2.gz	BSLDZULRBVDKRC-SNVBAGLBSA-N	-1	3	350.843	1.946	20	10		FDCDHM
COC(=O)CCNC(=O)CN(Cc1ccccc1[O-])C[C@@H]1CCCO1	ZINC000070976584	522069129	/nfs/dbraw/zinc/06/91/29/522069129.db2.gz	INCMVSWBFZVSFU-HNNXBMFYSA-N	-1	3	350.415	1.053	20	10		FDCDHM
CC(=O)c1cc(F)cc(CN2CC[C@H](S(=O)(=O)N3CCCC3)C2)c1[O-]	ZINC000135729465	524166887	/nfs/dbraw/zinc/16/68/87/524166887.db2.gz	HCDHDEUMRAFZHN-HNNXBMFYSA-N	-1	3	370.446	1.734	20	10		FDCDHM
C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N(C)Cc1ccccc1O	ZINC000136951825	524221578	/nfs/dbraw/zinc/22/15/78/524221578.db2.gz	UUKNBILNRZAACG-LLVKDONJSA-N	-1	3	354.453	1.779	20	10		FDCDHM
C[C@H](COCC(F)(F)F)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000116039989	525093354	/nfs/dbraw/zinc/09/33/54/525093354.db2.gz	HHMJHSAEFYTRBB-MRVPVSSYSA-N	-1	3	370.349	1.461	20	10		FDCDHM
CN(C)S(=O)(=O)c1ccc(CNCc2cc([N+](=O)[O-])ccc2[O-])cc1	ZINC000101594253	525237932	/nfs/dbraw/zinc/23/79/32/525237932.db2.gz	ZBFGUCNSQLFTPY-UHFFFAOYSA-N	-1	3	365.411	1.841	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)c1	ZINC000270074615	537280543	/nfs/dbraw/zinc/28/05/43/537280543.db2.gz	MCDUVRAWQSHQCL-KCPJHIHWSA-N	-1	3	366.439	1.451	20	10		FDCDHM
COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)[C@@H]1CCCCC(=O)N1	ZINC000279641969	537352285	/nfs/dbraw/zinc/35/22/85/537352285.db2.gz	CQGYHMKMYTXBCV-ZDUSSCGKSA-N	-1	3	368.817	1.606	20	10		FDCDHM
NC(=O)c1ccccc1N1CCC[C@@H](NC(=O)c2cccc(O)c2[O-])C1	ZINC000364820455	537400252	/nfs/dbraw/zinc/40/02/52/537400252.db2.gz	ZOAYBYFLGWDIFT-GFCCVEGCSA-N	-1	3	355.394	1.596	20	10		FDCDHM
CC(=O)NCC[N@H+](Cc1cc(Br)cc(C)c1[O-])[C@@H](C)C(=O)[O-]	ZINC000819770226	597703918	/nfs/dbraw/zinc/70/39/18/597703918.db2.gz	KMGIKQGIVXMJJN-JTQLQIEISA-N	-1	3	373.247	1.874	20	10		FDCDHM
CC(=O)NCC[N@@H+](Cc1cc(Br)cc(C)c1[O-])[C@@H](C)C(=O)[O-]	ZINC000819770226	597703919	/nfs/dbraw/zinc/70/39/19/597703919.db2.gz	KMGIKQGIVXMJJN-JTQLQIEISA-N	-1	3	373.247	1.874	20	10		FDCDHM
COc1ccc(O)c([C@H](C)NC(=O)COc2ccc(-c3nn[n-]n3)cc2)c1	ZINC000737105831	598779112	/nfs/dbraw/zinc/77/91/12/598779112.db2.gz	KDYZEJGWZRBWRF-NSHDSACASA-N	-1	3	369.381	1.837	20	10		FDCDHM
CN(Cc1ccccc1O)S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1	ZINC000825980893	607627841	/nfs/dbraw/zinc/62/78/41/607627841.db2.gz	KYBUZMGTSJNBEV-UHFFFAOYSA-N	-1	3	359.411	1.534	20	10		FDCDHM
CN(Cc1ccccc1O)S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1	ZINC000825980893	607627842	/nfs/dbraw/zinc/62/78/42/607627842.db2.gz	KYBUZMGTSJNBEV-UHFFFAOYSA-N	-1	3	359.411	1.534	20	10		FDCDHM
Cc1cc(C(=O)N(C)[C@H](C)CO)c(C)n1-c1ccc(-c2nn[n-]n2)cc1	ZINC000826257061	608204863	/nfs/dbraw/zinc/20/48/63/608204863.db2.gz	LVIBADHIEZTQQO-GFCCVEGCSA-N	-1	3	354.414	1.727	20	10		FDCDHM
Cc1cc(N(C)C)ccc1CNC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1	ZINC000826268695	609232841	/nfs/dbraw/zinc/23/28/41/609232841.db2.gz	JNGUDLOPGASULK-QGZVFWFLSA-N	-1	3	366.425	1.591	20	10		FDCDHM
Cc1cc(N(C)C)ccc1CNC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1	ZINC000826268695	609232842	/nfs/dbraw/zinc/23/28/42/609232842.db2.gz	JNGUDLOPGASULK-QGZVFWFLSA-N	-1	3	366.425	1.591	20	10		FDCDHM
COc1ccc(O)c([C@@H](C)NC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)c1	ZINC000826210504	609250749	/nfs/dbraw/zinc/25/07/49/609250749.db2.gz	UIUIBYQUERHOBL-QLJPJBMISA-N	-1	3	369.381	1.492	20	10		FDCDHM
COc1ccc(O)c([C@@H](C)NC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)c1	ZINC000826210504	609250750	/nfs/dbraw/zinc/25/07/50/609250750.db2.gz	UIUIBYQUERHOBL-QLJPJBMISA-N	-1	3	369.381	1.492	20	10		FDCDHM
COCc1cccc(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1	ZINC000055259695	671231542	/nfs/dbraw/zinc/23/15/42/671231542.db2.gz	PLYOYEQHJHZGTK-UHFFFAOYSA-N	-1	3	364.423	1.840	20	10		FDCDHM
CCC[C@@H](C)C(=O)NCCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000293760222	676363834	/nfs/dbraw/zinc/36/38/34/676363834.db2.gz	UYSXBFIADFAULD-LLVKDONJSA-N	-1	3	371.459	1.046	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC[C@H]([C@@H]3CCOC3)C2)c1	ZINC000366649542	677457236	/nfs/dbraw/zinc/45/72/36/677457236.db2.gz	DGUYCKCBUIOUTP-NWDGAFQWSA-N	-1	3	354.428	1.262	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC(n3cccn3)CC2)c1	ZINC000368772327	677501751	/nfs/dbraw/zinc/50/17/51/677501751.db2.gz	ILYYEIONFDEHQG-UHFFFAOYSA-N	-1	3	364.427	1.438	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2Cc3ccccc3[C@H]2O)c1	ZINC000370239021	677555968	/nfs/dbraw/zinc/55/59/68/677555968.db2.gz	RCGXXIUPXMTHMD-GDBMZVCRSA-N	-1	3	362.407	1.152	20	10		FDCDHM
O=C(CN1CCOCC1)Nc1ccc(NC(=O)c2cccc(O)c2[O-])cc1	ZINC000274894026	770959513	/nfs/dbraw/zinc/95/95/13/770959513.db2.gz	MSEHLKNWNDOWAK-UHFFFAOYSA-N	-1	3	371.393	1.621	20	10		FDCDHM
Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1	ZINC000893053034	792667307	/nfs/dbraw/zinc/66/73/07/792667307.db2.gz	KEGSEDAJBPYUDJ-HNNXBMFYSA-N	-1	3	370.457	1.635	20	10		FDCDHM
COC(=O)c1cn([C@H]2CCCN(Cc3cc(F)cc(F)c3[O-])C2)nn1	ZINC000894469362	818100132	/nfs/dbraw/zinc/10/01/32/818100132.db2.gz	MGGGNDGSLVVWRA-LBPRGKRZSA-N	-1	3	352.341	1.886	20	10		FDCDHM
CCOC(=O)C[C@H](C)CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000761027977	863803369	/nfs/dbraw/zinc/80/33/69/863803369.db2.gz	CYHFNFFMBXAXDK-JTQLQIEISA-N	-1	3	358.416	1.083	20	10		FDCDHM
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3ccc(O)cc3[O-])cc2)C1	ZINC000917832317	883824427	/nfs/dbraw/zinc/82/44/27/883824427.db2.gz	STAYLYJSGPVYOD-CQSZACIVSA-N	-1	3	369.421	1.730	20	10		FDCDHM
Cc1cccc2nc(CNC(=O)c3cc(NS(C)(=O)=O)ccc3[O-])cn21	ZINC000731838879	918710835	/nfs/dbraw/zinc/71/08/35/918710835.db2.gz	NWJDDJSSWDOFDV-UHFFFAOYSA-N	-1	3	374.422	1.650	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCSCC(F)(F)F)c1	ZINC000770226013	929918359	/nfs/dbraw/zinc/91/83/59/929918359.db2.gz	FVBRINUDZCVRFT-UHFFFAOYSA-N	-1	3	372.390	1.789	20	10		FDCDHM
Cc1ccc(C(=O)Nc2ccc(C[C@H]3CC(=O)NC3=O)cc2)c([O-])c1O	ZINC000770501176	930053221	/nfs/dbraw/zinc/05/32/21/930053221.db2.gz	CVLOTQSXXBKRAC-LBPRGKRZSA-N	-1	3	354.362	1.864	20	10		FDCDHM
CN1CCN(c2ccc(/C=C3\C(=O)[N-]N(c4ccccc4)C3=O)cc2)CC1	ZINC000771525478	930712878	/nfs/dbraw/zinc/71/28/78/930712878.db2.gz	CVLIKKJPXUTJKW-XDJHFCHBSA-N	-1	3	362.433	1.900	20	10		FDCDHM
CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)c2cccc(O)c2[O-])cc1	ZINC000790569775	933605581	/nfs/dbraw/zinc/60/55/81/933605581.db2.gz	GKWKLSAPFWNQPW-SNVBAGLBSA-N	-1	3	350.396	1.497	20	10		FDCDHM
C[C@@]1(c2ccc(CNC(=O)c3cccc(O)c3[O-])cc2)NC(=O)NC1=O	ZINC000790627126	933647940	/nfs/dbraw/zinc/64/79/40/933647940.db2.gz	OOVWWYTYEBSSRB-SFHVURJKSA-N	-1	3	355.350	1.082	20	10		FDCDHM
CCn1ccc(CN(C)C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1	ZINC000790997327	933814719	/nfs/dbraw/zinc/81/47/19/933814719.db2.gz	UKMRIWCYLSZPNM-UHFFFAOYSA-N	-1	3	351.428	1.857	20	10		FDCDHM
CC(C)NC(=O)CN1CCN(Cc2ccc(Br)cc2[O-])CC1	ZINC000824529414	946505050	/nfs/dbraw/zinc/50/50/50/946505050.db2.gz	KMYJEQSZMIKMMN-UHFFFAOYSA-N	-1	3	370.291	1.797	20	10		FDCDHM
Cn1cc(N2CCN(Cc3ccc(Br)cc3[O-])CC2=O)cn1	ZINC000824836688	946833761	/nfs/dbraw/zinc/83/37/61/946833761.db2.gz	QCXFHOSTMGYGAD-UHFFFAOYSA-N	-1	3	365.231	1.737	20	10		FDCDHM
CNC(=O)[C@@H](CNC(=O)c1cccc(O)c1[O-])Cc1ccc(F)cc1C	ZINC000843938497	947519746	/nfs/dbraw/zinc/51/97/46/947519746.db2.gz	PQCYABPFEPTQLV-CYBMUJFWSA-N	-1	3	360.385	1.880	20	10		FDCDHM
COCCn1cc(NCc2cc(Br)ccc2[O-])ncc1=O	ZINC001171176484	949031397	/nfs/dbraw/zinc/03/13/97/949031397.db2.gz	PVZMFDGQXDXHOJ-UHFFFAOYSA-N	-1	3	354.204	1.970	20	10		FDCDHM
CN(C(=O)CN1CCN(C(=O)c2cccc(O)c2[O-])CC1)c1ccccc1	ZINC001148218599	952651890	/nfs/dbraw/zinc/65/18/90/952651890.db2.gz	HFAHJCXBOMIQFG-UHFFFAOYSA-N	-1	3	369.421	1.519	20	10		FDCDHM
O=C(c1cc(O)c([O-])c(O)c1)N1CCN(CCOc2ccccc2)CC1	ZINC001148583900	952757661	/nfs/dbraw/zinc/75/76/61/952757661.db2.gz	GICNGIXBWFXUNC-UHFFFAOYSA-N	-1	3	358.394	1.640	20	10		FDCDHM
CC(C)(C)OC(=O)N1C[C@H](NCC(=O)c2ccc([O-])c(O)c2)CC1=O	ZINC001171691765	961280199	/nfs/dbraw/zinc/28/01/99/961280199.db2.gz	UZEPMLZDAHDFEC-LLVKDONJSA-N	-1	3	350.371	1.406	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NN2CCCc3ccccc32)c1	ZINC000774214916	961885367	/nfs/dbraw/zinc/88/53/67/961885367.db2.gz	IXQSQAFKIONBOF-UHFFFAOYSA-N	-1	3	361.423	1.861	20	10		FDCDHM
CC(=O)c1cc(F)cc(CN2CCC[C@H]2C(=O)N=S(C)(C)=O)c1[O-]	ZINC000852170079	967048009	/nfs/dbraw/zinc/04/80/09/967048009.db2.gz	WGODXHZBNYMOCW-AWEZNQCLSA-N	-1	3	356.419	1.953	20	10		FDCDHM
Cn1cnnc1N1CCN(Cc2cc(Br)ccc2[O-])CC1	ZINC000848925011	977240425	/nfs/dbraw/zinc/24/04/25/977240425.db2.gz	KXUHUUHPUXJWQX-UHFFFAOYSA-N	-1	3	352.236	1.605	20	10		FDCDHM
O=C([O-])c1cnn2c1[nH]c(CN1C[C@]34COC[C@@]3(C1)CCCC4)cc2=O	ZINC000851709574	979009074	/nfs/dbraw/zinc/00/90/74/979009074.db2.gz	SRGYSXHKVUEDIZ-HDICACEKSA-N	-1	3	358.398	1.526	20	10		FDCDHM
Cn1nccc1[C@H](NCc1ccc(N2CCN(C)CC2)c(F)c1)C(=O)[O-]	ZINC001118176732	982943830	/nfs/dbraw/zinc/94/38/30/982943830.db2.gz	HBFKIMHUALMVJK-KRWDZBQOSA-N	-1	3	361.421	1.227	20	10		FDCDHM
O=C(C=Cc1ccc(O)c(O)c1)NCc1cc(-c2nn[n-]n2)ccc1F	ZINC000826401013	983074060	/nfs/dbraw/zinc/07/40/60/983074060.db2.gz	NCUPFYUOSYQTEU-QHHAFSJGSA-N	-1	3	355.329	1.747	20	10		FDCDHM
CNC(=O)NC[C@@H]1CN(Cc2c([O-])cccc2Br)CCO1	ZINC000862463074	984396179	/nfs/dbraw/zinc/39/61/79/984396179.db2.gz	XSOWPPBWVDOARZ-SNVBAGLBSA-N	-1	3	358.236	1.285	20	10		FDCDHM
O=C(NCc1ccc(O)c(O)c1)[C@@H]1CCCN1C(=O)c1ccccc1[O-]	ZINC000364706453	989726783	/nfs/dbraw/zinc/72/67/83/989726783.db2.gz	YBPDGTPBALOXRB-AWEZNQCLSA-N	-1	3	356.378	1.724	20	10		FDCDHM
C[N@H+](Cc1ccc(OCC(=O)[O-])cc1)Cc1cc2c(cc1[O-])OC[C@H]2O	ZINC001598523997	992696622	/nfs/dbraw/zinc/69/66/22/992696622.db2.gz	UEVPWAFGEFQPCB-QGZVFWFLSA-N	-1	3	359.378	1.913	20	10		FDCDHM
C[N@@H+](Cc1ccc(OCC(=O)[O-])cc1)Cc1cc2c(cc1[O-])OC[C@H]2O	ZINC001598523997	992696627	/nfs/dbraw/zinc/69/66/27/992696627.db2.gz	UEVPWAFGEFQPCB-QGZVFWFLSA-N	-1	3	359.378	1.913	20	10		FDCDHM
C[C@H]([NH2+]CCc1ccc(S(N)(=O)=O)cc1)c1cc(C(=O)[O-])ccc1[O-]	ZINC001593274196	994623205	/nfs/dbraw/zinc/62/32/05/994623205.db2.gz	JORBUXTYXWCNBE-NSHDSACASA-N	-1	3	364.423	1.631	20	10		FDCDHM
COc1cc(Br)cc(CN2CC[C@@](OC)(C(=O)[O-])C2)c1O	ZINC001599346615	998018639	/nfs/dbraw/zinc/01/86/39/998018639.db2.gz	MFCVIUGHUROJLW-AWEZNQCLSA-N	-1	3	360.204	1.839	20	10		FDCDHM
CC(C)CO[C@@H]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1	ZINC000268268964	674086575	/nfs/dbraw/zinc/08/65/75/674086575.db2.gz	BQXISKZWBGTWSW-CYBMUJFWSA-N	-1	3	356.444	1.651	20	10		FDCDHM
COC(=O)CCN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C(C)C	ZINC000271291025	674332409	/nfs/dbraw/zinc/33/24/09/674332409.db2.gz	PKCMSLICVUQNDO-UHFFFAOYSA-N	-1	3	358.416	1.177	20	10		FDCDHM
C[C@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])Cn1ccnc1	ZINC000271354372	674336150	/nfs/dbraw/zinc/33/61/50/674336150.db2.gz	HXBIXMHXNQXNKS-LLVKDONJSA-N	-1	3	352.416	1.026	20	10		FDCDHM
CC(C)[C@H]1C[C@@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCO1	ZINC000271459206	674344721	/nfs/dbraw/zinc/34/47/21/674344721.db2.gz	XAASSWQLLIPMCT-XHDPSFHLSA-N	-1	3	356.444	1.697	20	10		FDCDHM
COc1ccc(N2CCN(C(=O)CCc3c(C)nc(C)[n-]c3=O)CC2)cc1	ZINC000078755032	523646630	/nfs/dbraw/zinc/64/66/30/523646630.db2.gz	SGNDUJUYLYZTKJ-UHFFFAOYSA-N	-1	3	370.453	1.677	20	10		FDCDHM
CN(C)[C@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccco1	ZINC000055109110	523749485	/nfs/dbraw/zinc/74/94/85/523749485.db2.gz	NPRUAWJSLRMXPQ-CYBMUJFWSA-N	-1	3	367.427	1.389	20	10		FDCDHM
CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@@H]1CN(C)CCO1	ZINC000085546144	524362228	/nfs/dbraw/zinc/36/22/28/524362228.db2.gz	DWGLPLSZYVSCKL-AWEZNQCLSA-N	-1	3	357.248	1.834	20	10		FDCDHM
Cn1cc(S(=O)(=O)[N-]Cc2ccc(N3CCOCC3)cc2)nc1Cl	ZINC000123733923	524819545	/nfs/dbraw/zinc/81/95/45/524819545.db2.gz	REJGHXHMEVNCMW-UHFFFAOYSA-N	-1	3	370.862	1.389	20	10		FDCDHM
CC(=O)c1cc(F)cc(CN2CCC(N3CCC[C@@H]3C(N)=O)CC2)c1[O-]	ZINC000131173702	525831800	/nfs/dbraw/zinc/83/18/00/525831800.db2.gz	JWPKQPYGDYDCOS-QGZVFWFLSA-N	-1	3	363.433	1.648	20	10		FDCDHM
O=[N+]([O-])c1ccc([O-])c(CNCc2cnc(N3CCOCC3)c(F)c2)c1	ZINC000185072701	536197469	/nfs/dbraw/zinc/19/74/69/536197469.db2.gz	KYORFPFPUDELKD-UHFFFAOYSA-N	-1	3	362.361	1.961	20	10		FDCDHM
COC(=O)NCCC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1	ZINC000363712256	537293288	/nfs/dbraw/zinc/29/32/88/537293288.db2.gz	TZTMPFQZLQPCEL-AWEZNQCLSA-N	-1	3	369.849	1.872	20	10		FDCDHM
Cc1ccc(C(=O)NCc2cccc(OCC(=O)N(C)C)c2)c([O-])c1O	ZINC000272747722	537328664	/nfs/dbraw/zinc/32/86/64/537328664.db2.gz	JHIMAZPWUDWDDH-UHFFFAOYSA-N	-1	3	358.394	1.803	20	10		FDCDHM
CC(C)OC(=O)[C@H](C)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000271338175	537422961	/nfs/dbraw/zinc/42/29/61/537422961.db2.gz	GDLZBCIAVNLBTP-JTQLQIEISA-N	-1	3	358.416	1.176	20	10		FDCDHM
COCc1nc(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cs1	ZINC000291050659	537517876	/nfs/dbraw/zinc/51/78/76/537517876.db2.gz	GYPXAKZEJFJMMT-UHFFFAOYSA-N	-1	3	371.440	1.297	20	10		FDCDHM
COc1c([O-])c(CN2CCN(CC(C)(C)O)[C@@H](C)C2)ccc1[N+](=O)[O-]	ZINC000278118250	537629625	/nfs/dbraw/zinc/62/96/25/537629625.db2.gz	ATDHTSWQJUEFBD-LBPRGKRZSA-N	-1	3	353.419	1.586	20	10		FDCDHM
CC(=O)c1cc(F)cc(CN2CCC[C@H](S(=O)(=O)N(C)C)C2)c1[O-]	ZINC000285615778	537737616	/nfs/dbraw/zinc/73/76/16/537737616.db2.gz	NACVAGDBGPJKBM-AWEZNQCLSA-N	-1	3	358.435	1.590	20	10		FDCDHM
COc1ccc(O)c(CNC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c1	ZINC000737106190	598924769	/nfs/dbraw/zinc/92/47/69/598924769.db2.gz	OYOMDICFJMWNCU-UHFFFAOYSA-N	-1	3	372.360	1.719	20	10		FDCDHM
COc1ccc(O)c(CNC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c1	ZINC000737106190	598924770	/nfs/dbraw/zinc/92/47/70/598924770.db2.gz	OYOMDICFJMWNCU-UHFFFAOYSA-N	-1	3	372.360	1.719	20	10		FDCDHM
O=C(C1=CC(=O)CS1)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1	ZINC000738248077	598718332	/nfs/dbraw/zinc/71/83/32/598718332.db2.gz	VYBYJEZUJZPTNL-UHFFFAOYSA-N	-1	3	370.438	1.592	20	10		FDCDHM
O=C1N=C(N2CCOCC2)SC1=Cc1ccc(-c2nnn[n-]2)cc1F	ZINC000823542028	607458886	/nfs/dbraw/zinc/45/88/86/607458886.db2.gz	VQFFDQPKUUHACA-WQLSENKSSA-N	-1	3	360.374	1.308	20	10		FDCDHM
O=C1N=C(N2CCOCC2)SC1=Cc1ccc(-c2nn[n-]n2)cc1F	ZINC000823542028	607458887	/nfs/dbraw/zinc/45/88/87/607458887.db2.gz	VQFFDQPKUUHACA-WQLSENKSSA-N	-1	3	360.374	1.308	20	10		FDCDHM
O=C([O-])N1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2[O-])C1	ZINC000834024516	605692766	/nfs/dbraw/zinc/69/27/66/605692766.db2.gz	DGALLEKSLINZQS-HOCLYGCPSA-N	-1	3	361.442	1.863	20	10		FDCDHM
O=C([O-])N1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])C1	ZINC000834024516	605692769	/nfs/dbraw/zinc/69/27/69/605692769.db2.gz	DGALLEKSLINZQS-HOCLYGCPSA-N	-1	3	361.442	1.863	20	10		FDCDHM
O=C(c1cc(-c2nnn[n-]2)c[nH]1)N(Cc1ccccc1O)C[C@@H]1CCCO1	ZINC000823460050	606273609	/nfs/dbraw/zinc/27/36/09/606273609.db2.gz	GTPOCKWODDQOLU-AWEZNQCLSA-N	-1	3	368.397	1.722	20	10		FDCDHM
O=C(c1cc(-c2nn[n-]n2)c[nH]1)N(Cc1ccccc1O)C[C@@H]1CCCO1	ZINC000823460050	606273611	/nfs/dbraw/zinc/27/36/11/606273611.db2.gz	GTPOCKWODDQOLU-AWEZNQCLSA-N	-1	3	368.397	1.722	20	10		FDCDHM
CCc1nnc(NCCc2ccc(O)c(O)c2)c(-c2nnn[n-]2)c1CC	ZINC000821542092	606942326	/nfs/dbraw/zinc/94/23/26/606942326.db2.gz	IUFKQKPBHUMTQS-UHFFFAOYSA-N	-1	3	355.402	1.847	20	10		FDCDHM
CCc1nnc(NCCc2ccc(O)c(O)c2)c(-c2nn[n-]n2)c1CC	ZINC000821542092	606942328	/nfs/dbraw/zinc/94/23/28/606942328.db2.gz	IUFKQKPBHUMTQS-UHFFFAOYSA-N	-1	3	355.402	1.847	20	10		FDCDHM
CCN(CCO)C(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C	ZINC000825424977	607882041	/nfs/dbraw/zinc/88/20/41/607882041.db2.gz	WKNGYFXNAADCAV-UHFFFAOYSA-N	-1	3	354.414	1.729	20	10		FDCDHM
CN(Cc1cc2c(cc1O)OC[C@H]2O)c1ccc(-c2nn[n-]n2)cc1F	ZINC000825953206	608545543	/nfs/dbraw/zinc/54/55/43/608545543.db2.gz	ALENITIIZAGOKZ-OAHLLOKOSA-N	-1	3	357.345	1.774	20	10		FDCDHM
Cc1cc(N(C)C)ccc1CNC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1	ZINC000826268694	609232733	/nfs/dbraw/zinc/23/27/33/609232733.db2.gz	JNGUDLOPGASULK-KRWDZBQOSA-N	-1	3	366.425	1.591	20	10		FDCDHM
Cc1cc(N(C)C)ccc1CNC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1	ZINC000826268694	609232735	/nfs/dbraw/zinc/23/27/35/609232735.db2.gz	JNGUDLOPGASULK-KRWDZBQOSA-N	-1	3	366.425	1.591	20	10		FDCDHM
COCc1noc(CN2CCN(Cc3c([O-])cccc3Cl)CC2)n1	ZINC000276147993	674712985	/nfs/dbraw/zinc/71/29/85/674712985.db2.gz	DTKOISRTBMHFHM-UHFFFAOYSA-N	-1	3	352.822	1.893	20	10		FDCDHM
COc1cccc(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1	ZINC000055107138	671227579	/nfs/dbraw/zinc/22/75/79/671227579.db2.gz	RHBVAQYXQHURAS-UHFFFAOYSA-N	-1	3	350.396	1.702	20	10		FDCDHM
CS(=O)(=O)NC1CCN(Cc2cccc(Br)c2[O-])CC1	ZINC000123484401	671726625	/nfs/dbraw/zinc/72/66/25/671726625.db2.gz	SZMHSVBTSFSJLO-UHFFFAOYSA-N	-1	3	363.277	1.668	20	10		FDCDHM
O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cn[n-]n1	ZINC000194201533	672381269	/nfs/dbraw/zinc/38/12/69/672381269.db2.gz	ZYTKYIRPQUNVSU-UHFFFAOYSA-N	-1	3	355.320	1.590	20	10		FDCDHM
CC(C)(C)[C@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCO1	ZINC000279193073	675256188	/nfs/dbraw/zinc/25/61/88/675256188.db2.gz	CMPPNMLFBNEIPJ-CQSZACIVSA-N	-1	3	356.444	1.651	20	10		FDCDHM
COc1c([O-])c(CN2CCC[C@@H](OC(=O)N(C)C)C2)ccc1[N+](=O)[O-]	ZINC000294902483	676398512	/nfs/dbraw/zinc/39/85/12/676398512.db2.gz	XILBKYWULIKDQK-GFCCVEGCSA-N	-1	3	353.375	1.972	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCCC[C@@H]2c2nc[nH]n2)c1	ZINC000362025872	676906463	/nfs/dbraw/zinc/90/64/63/676906463.db2.gz	UXEDFRNAEDGYAR-GFCCVEGCSA-N	-1	3	365.415	1.249	20	10		FDCDHM
Cn1cc(-c2nc([C@@H]3COCCN3Cc3cc(F)ccc3[O-])no2)cn1	ZINC000378559852	794319894	/nfs/dbraw/zinc/31/98/94/794319894.db2.gz	QXNFAFDBXCPXCP-AWEZNQCLSA-N	-1	3	359.361	1.888	20	10		FDCDHM
Nc1ccc(CCNC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)cc1	ZINC000841959753	840218270	/nfs/dbraw/zinc/21/82/70/840218270.db2.gz	QJFVGGUWADKLEA-UHFFFAOYSA-N	-1	3	372.391	1.911	20	10		FDCDHM
CNS(=O)(=O)c1cc(NC(=O)c2ccc(C)c(O)c2[O-])ccc1F	ZINC000804174250	886727985	/nfs/dbraw/zinc/72/79/85/886727985.db2.gz	PWPYGMMGXSBYPL-UHFFFAOYSA-N	-1	3	354.359	1.706	20	10		FDCDHM
[O-]c1c(I)cccc1CN1CC[C@H](F)[C@@H](O)C1	ZINC001237777170	897388466	/nfs/dbraw/zinc/38/84/66/897388466.db2.gz	NIANIYLYBAHKRI-ONGXEEELSA-N	-1	3	351.159	1.902	20	10		FDCDHM
CO[C@@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccccc1	ZINC000732574804	919822396	/nfs/dbraw/zinc/82/23/96/919822396.db2.gz	AMLWFWRTSUSOIP-INIZCTEOSA-N	-1	3	364.423	1.881	20	10		FDCDHM
COc1ccc(N2CCN(CCNC(=O)c3ccccc3[O-])CC2)cc1	ZINC000732923353	920309823	/nfs/dbraw/zinc/30/98/23/920309823.db2.gz	YRCHEBPMZFWBJL-UHFFFAOYSA-N	-1	3	355.438	1.953	20	10		FDCDHM
COCCN(CC(F)F)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000769749234	929662049	/nfs/dbraw/zinc/66/20/49/929662049.db2.gz	MEOQVNRBDQURMJ-UHFFFAOYSA-N	-1	3	352.359	1.117	20	10		FDCDHM
COc1cccc(CC(=O)N2CCN(C(=O)c3cccc(O)c3[O-])CC2)c1	ZINC000790576877	933628445	/nfs/dbraw/zinc/62/84/45/933628445.db2.gz	OTXBKVORAZJNPK-UHFFFAOYSA-N	-1	3	370.405	1.634	20	10		FDCDHM
C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)c2cccc(O)c2[O-])CC1	ZINC000790649511	933674389	/nfs/dbraw/zinc/67/43/89/933674389.db2.gz	GRVJBJLNALDWML-ZDUSSCGKSA-N	-1	3	361.442	1.303	20	10		FDCDHM
O=C(N[C@@H]1CC(=O)N(CCOc2ccccc2)C1)c1cccc(O)c1[O-]	ZINC000790773433	933732718	/nfs/dbraw/zinc/73/27/18/933732718.db2.gz	SQSHNFHXHWKAAA-CYBMUJFWSA-N	-1	3	356.378	1.508	20	10		FDCDHM
COCCN(CCNC(=O)c1cccc(O)c1[O-])C(=O)OC(C)(C)C	ZINC000790911462	933790809	/nfs/dbraw/zinc/79/08/09/933790809.db2.gz	OEEBJJHCHXXHAB-UHFFFAOYSA-N	-1	3	354.403	1.711	20	10		FDCDHM
CCOC(=O)CN(Cc1ccccc1O)Cc1nc2c(c(=O)[n-]1)COCC2	ZINC001195357839	970879857	/nfs/dbraw/zinc/87/98/57/970879857.db2.gz	IZQFXESCQCMIRZ-UHFFFAOYSA-N	-1	3	373.409	1.526	20	10		FDCDHM
CN1CCN(C2CN(Cc3cc(Br)c(F)cc3[O-])C2)CC1	ZINC001144307696	948620676	/nfs/dbraw/zinc/62/06/76/948620676.db2.gz	FSGJYHUPQULECV-UHFFFAOYSA-N	-1	3	358.255	1.725	20	10		FDCDHM
C[C@@H]([C@@H]1Cc2ccccc2O1)N(C)Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1	ZINC000846255681	950804392	/nfs/dbraw/zinc/80/43/92/950804392.db2.gz	LGIILESMGPZOOT-ZBEGNZNMSA-N	-1	3	368.393	1.957	20	10		FDCDHM
O=C(c1cccc(O)c1[O-])N1C[C@H]2OCCN(Cc3ccccc3)[C@H]2C1	ZINC001147235055	952355009	/nfs/dbraw/zinc/35/50/09/952355009.db2.gz	PSJSXZXAVQBWAY-FUHWJXTLSA-N	-1	3	354.406	1.823	20	10		FDCDHM
O=C(NCc1cccnc1)[C@H]1C[C@@]12CCN(C(=O)c1cccc(O)c1[O-])C2	ZINC001148214457	952648932	/nfs/dbraw/zinc/64/89/32/952648932.db2.gz	SOKWRZRWXXPOEH-FOIQADDNSA-N	-1	3	367.405	1.661	20	10		FDCDHM
O=C(c1cc(O)c([O-])c(O)c1)N1CCC(Oc2cc(Cl)ncn2)CC1	ZINC001148583970	952757703	/nfs/dbraw/zinc/75/77/03/952757703.db2.gz	JALDJPADEQPFRX-UHFFFAOYSA-N	-1	3	365.773	1.930	20	10		FDCDHM
CCCN(Cc1ccc([N+](=O)[O-])c(OC)c1[O-])[C@H]1CCS(=O)(=O)C1	ZINC000774823217	963816974	/nfs/dbraw/zinc/81/69/74/963816974.db2.gz	QTZJCOYXCRJGDU-LBPRGKRZSA-N	-1	3	358.416	1.708	20	10		FDCDHM
CN(C)S(=O)(=O)C[C@@H](NCc1cc(Cl)ccc1[O-])C(F)(F)F	ZINC000796457684	1013511944	/nfs/dbraw/zinc/51/19/44/1013511944.db2.gz	FZUDVNHWWDGTFF-LLVKDONJSA-N	-1	3	360.785	1.958	20	10		FDCDHM
CN(C)S(=O)(=O)c1cccc(CNCc2cc([N+](=O)[O-])ccc2[O-])c1	ZINC000776575361	967125256	/nfs/dbraw/zinc/12/52/56/967125256.db2.gz	XWRWWTXEWJJXPJ-UHFFFAOYSA-N	-1	3	365.411	1.841	20	10		FDCDHM
COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-]Cc2ccc(O)cc2O)c1	ZINC001191529574	968569834	/nfs/dbraw/zinc/56/98/34/968569834.db2.gz	DEYHIOMBMFBOPO-UHFFFAOYSA-N	-1	3	369.370	1.810	20	10		FDCDHM
COc1cc(C(=O)Nc2ncc(Br)[n-]c2=O)cc(O)c1O	ZINC001193113955	969479065	/nfs/dbraw/zinc/47/90/65/969479065.db2.gz	GDFHGHVYNOBZJP-UHFFFAOYSA-N	-1	3	356.132	1.205	20	10		FDCDHM
Cn1ccnc1[C@]([O-])(C[NH2+]Cc1cc(F)cc(F)c1[O-])C(F)(F)F	ZINC000882994636	981868416	/nfs/dbraw/zinc/86/84/16/981868416.db2.gz	NNAPQXOAPCEJAU-CYBMUJFWSA-N	-1	3	351.275	1.944	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCOC[C@@H]2CC2CC2)c1	ZINC000886466401	986289183	/nfs/dbraw/zinc/28/91/83/986289183.db2.gz	XWVSNAUURILUBU-ZDUSSCGKSA-N	-1	3	354.428	1.405	20	10		FDCDHM
C[C@]1([N-]C(=O)C(F)(F)F)CCN(Cc2cc3c(cc2O)OC[C@@H]3O)C1	ZINC000872754006	988038350	/nfs/dbraw/zinc/03/83/50/988038350.db2.gz	TXHDCMVGEYKFFD-WFASDCNBSA-N	-1	3	360.332	1.461	20	10		FDCDHM
O=C(c1cccc(O)c1[O-])N1CCNC(=O)[C@@H]1Cc1nc2ccccc2o1	ZINC000373768241	992425366	/nfs/dbraw/zinc/42/53/66/992425366.db2.gz	DLHZWHCWBVKTIC-ZDUSSCGKSA-N	-1	3	367.361	1.422	20	10		FDCDHM
CN(Cc1cccc(Br)c1[O-])[C@H]1CCN(S(C)(=O)=O)C1	ZINC000312993105	676550394	/nfs/dbraw/zinc/55/03/94/676550394.db2.gz	MNOFBRUSVSPSGV-NSHDSACASA-N	-1	3	363.277	1.620	20	10		FDCDHM
CC[C@H](C)[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C(=O)OC	ZINC000271268708	674329952	/nfs/dbraw/zinc/32/99/52/674329952.db2.gz	OBIKNIWIVYFTLP-ZANVPECISA-N	-1	3	358.416	1.081	20	10		FDCDHM
O=S1(=O)CC[C@@H](N2CCN(Cc3c([O-])ccc4ccccc43)CC2)C1	ZINC000022847043	518916238	/nfs/dbraw/zinc/91/62/38/518916238.db2.gz	SFAXLFMVCLUFGU-MRXNPFEDSA-N	-1	3	360.479	1.850	20	10		FDCDHM
COC(=O)[C@H]1Cc2ccccc2CN1C(=O)CN(C)Cc1ccccc1[O-]	ZINC000121152222	524166609	/nfs/dbraw/zinc/16/66/09/524166609.db2.gz	GRAMQZFRELLLQO-GOSISDBHSA-N	-1	3	368.433	1.951	20	10		FDCDHM
CNC(=O)NCC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1	ZINC000154020011	525395188	/nfs/dbraw/zinc/39/51/88/525395188.db2.gz	SRJSCQXRHNGURP-ZDUSSCGKSA-N	-1	3	354.838	1.055	20	10		FDCDHM
CN(CCO)S(=O)(=O)c1ccccc1CNCc1cc(F)ccc1[O-]	ZINC000180725063	525746354	/nfs/dbraw/zinc/74/63/54/525746354.db2.gz	UXJMBHCQYQHIES-UHFFFAOYSA-N	-1	3	368.430	1.434	20	10		FDCDHM
CCS(=O)(=O)CC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1	ZINC000134266851	526142342	/nfs/dbraw/zinc/14/23/42/526142342.db2.gz	ZMYRPIMMMFJKDW-AWEZNQCLSA-N	-1	3	374.890	1.561	20	10		FDCDHM
COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@H](O)Cn1cccn1	ZINC000171927424	526182788	/nfs/dbraw/zinc/18/27/88/526182788.db2.gz	RWKQQBCUBUCFPL-AWEZNQCLSA-N	-1	3	353.806	1.278	20	10		FDCDHM
O=C1C[C@H](NCc2c([O-])ccc(Cl)c2F)CN1CCN1CCOCC1	ZINC000191135553	537198367	/nfs/dbraw/zinc/19/83/67/537198367.db2.gz	MNSZVVYNGUFLHL-LBPRGKRZSA-N	-1	3	371.840	1.207	20	10		FDCDHM
COCCO[C@H]1C[C@H](CO)CN(Cc2cc(F)cc(C(C)=O)c2[O-])C1	ZINC000278257704	537288279	/nfs/dbraw/zinc/28/82/79/537288279.db2.gz	HZLQJLRYLWWOAR-BBRMVZONSA-N	-1	3	355.406	1.580	20	10		FDCDHM
COc1cccc(OCCN2CCN(C(=O)c3cccc(O)c3[O-])CC2)c1	ZINC000279864514	537355612	/nfs/dbraw/zinc/35/56/12/537355612.db2.gz	QGKAZXZGLKUFMQ-UHFFFAOYSA-N	-1	3	372.421	1.943	20	10		FDCDHM
CN(C[C@@H]1CCCC[C@@H]1O)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000272148099	537535015	/nfs/dbraw/zinc/53/50/15/537535015.db2.gz	ACEYQHUDBFECJC-FZMZJTMJSA-N	-1	3	356.444	1.387	20	10		FDCDHM
COC(=O)[C@@H]1COCCN1Cc1cc(Br)cc(OC)c1[O-]	ZINC000360079198	537577372	/nfs/dbraw/zinc/57/73/72/537577372.db2.gz	MAAUTWZXDSVDMP-NSHDSACASA-N	-1	3	360.204	1.537	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H](C2CC2)C(F)(F)F)c1	ZINC000291931310	537691944	/nfs/dbraw/zinc/69/19/44/537691944.db2.gz	SRVCBFOCJAGZDP-LLVKDONJSA-N	-1	3	352.334	1.834	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H]2[C@@H]2CCCC2=O)c1	ZINC000272190381	674419758	/nfs/dbraw/zinc/41/97/58/674419758.db2.gz	NJNQHKMUCNDOGR-JSGCOSHPSA-N	-1	3	366.439	1.738	20	10		FDCDHM
CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(-c2nnn[n-]2)cn1	ZINC000821589520	599216025	/nfs/dbraw/zinc/21/60/25/599216025.db2.gz	RLUZCHOHKHOFNI-UHFFFAOYSA-N	-1	3	351.370	1.367	20	10		FDCDHM
CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(-c2nn[n-]n2)cn1	ZINC000821589520	599216027	/nfs/dbraw/zinc/21/60/27/599216027.db2.gz	RLUZCHOHKHOFNI-UHFFFAOYSA-N	-1	3	351.370	1.367	20	10		FDCDHM
O=C1N=C(N2CCOCC2)SC1=Cc1ccc(-c2nnn[n-]2)cc1F	ZINC000823542040	607459011	/nfs/dbraw/zinc/45/90/11/607459011.db2.gz	VQFFDQPKUUHACA-XYOKQWHBSA-N	-1	3	360.374	1.308	20	10		FDCDHM
O=C1N=C(N2CCOCC2)SC1=Cc1ccc(-c2nn[n-]n2)cc1F	ZINC000823542040	607459013	/nfs/dbraw/zinc/45/90/13/607459013.db2.gz	VQFFDQPKUUHACA-XYOKQWHBSA-N	-1	3	360.374	1.308	20	10		FDCDHM
Cc1cccc(S(=O)(=O)N(C)Cc2ccccc2O)c1-c1nnn[n-]1	ZINC000826301256	607626805	/nfs/dbraw/zinc/62/68/05/607626805.db2.gz	YFARQUJVBRUMKZ-UHFFFAOYSA-N	-1	3	359.411	1.701	20	10		FDCDHM
Cc1cccc(S(=O)(=O)N(C)Cc2ccccc2O)c1-c1nn[n-]n1	ZINC000826301256	607626806	/nfs/dbraw/zinc/62/68/06/607626806.db2.gz	YFARQUJVBRUMKZ-UHFFFAOYSA-N	-1	3	359.411	1.701	20	10		FDCDHM
COc1cccc(CNS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c1O	ZINC000826216356	607632440	/nfs/dbraw/zinc/63/24/40/607632440.db2.gz	VMTDDJNWWFYVFQ-UHFFFAOYSA-N	-1	3	361.383	1.059	20	10		FDCDHM
COc1cccc(CNS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c1O	ZINC000826216356	607632442	/nfs/dbraw/zinc/63/24/42/607632442.db2.gz	VMTDDJNWWFYVFQ-UHFFFAOYSA-N	-1	3	361.383	1.059	20	10		FDCDHM
COc1ccc(O)c(CNC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1	ZINC000821837285	607234414	/nfs/dbraw/zinc/23/44/14/607234414.db2.gz	CFLVAZAILYQRNT-RMKNXTFCSA-N	-1	3	351.366	1.911	20	10		FDCDHM
COc1ccc(O)c(CNC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1	ZINC000821837285	607234415	/nfs/dbraw/zinc/23/44/15/607234415.db2.gz	CFLVAZAILYQRNT-RMKNXTFCSA-N	-1	3	351.366	1.911	20	10		FDCDHM
Cn1cc(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)c(-c2cccnc2)n1	ZINC000826358607	607955214	/nfs/dbraw/zinc/95/52/14/607955214.db2.gz	ALLDJZVNXBNQOM-UHFFFAOYSA-N	-1	3	372.392	1.865	20	10		FDCDHM
Cn1cc(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)c(-c2cccnc2)n1	ZINC000826358607	607955215	/nfs/dbraw/zinc/95/52/15/607955215.db2.gz	ALLDJZVNXBNQOM-UHFFFAOYSA-N	-1	3	372.392	1.865	20	10		FDCDHM
CN(C)c1ccc(CNC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1F	ZINC000825880065	609216435	/nfs/dbraw/zinc/21/64/35/609216435.db2.gz	WPXHEIFOKOSXJZ-MRXNPFEDSA-N	-1	3	370.388	1.422	20	10		FDCDHM
CN(C)c1ccc(CNC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1F	ZINC000825880065	609216436	/nfs/dbraw/zinc/21/64/36/609216436.db2.gz	WPXHEIFOKOSXJZ-MRXNPFEDSA-N	-1	3	370.388	1.422	20	10		FDCDHM
CN1CCN(C)[C@@H](CNC(=O)NCc2cccc(Br)c2[O-])C1	ZINC000277491977	674954186	/nfs/dbraw/zinc/95/41/86/674954186.db2.gz	QMYQBTQDDWFKSI-LBPRGKRZSA-N	-1	3	371.279	1.200	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCN(C3CCC3)CC2)c1	ZINC000265022167	672928008	/nfs/dbraw/zinc/92/80/08/672928008.db2.gz	FAZZKCSNBDZYTQ-UHFFFAOYSA-N	-1	3	353.444	1.074	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCCC3(CCOCC3)C2)c1	ZINC000266474342	673127505	/nfs/dbraw/zinc/12/75/05/673127505.db2.gz	BAFLJZDEHOOZHA-UHFFFAOYSA-N	-1	3	368.455	1.797	20	10		FDCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCCOC[C@H]2CCCO2)c1	ZINC000299076068	676515395	/nfs/dbraw/zinc/51/53/95/676515395.db2.gz	HUDNODWPVOYGNF-CYBMUJFWSA-N	-1	3	372.443	1.079	20	10		FDCDHM
O=C(NCc1nnc2n1C[C@H](C(F)(F)F)CC2)c1cccc(O)c1[O-]	ZINC000365597252	677366155	/nfs/dbraw/zinc/36/61/55/677366155.db2.gz	HRURDFGYVQPBHM-MRVPVSSYSA-N	-1	3	356.304	1.744	20	10		FDCDHM