smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H]1OCC[C@]1(O)CNC(=O)c1c(F)ccc(O)c1O	ZINC000296389546	353945559	/nfs/dbraw/zinc/94/55/59/353945559.db2.gz	SNHCFDAMSAENFD-UHLUBPPHSA-N	-1	0	285.271	0.507	20	10		CCCDRM
CC(=O)c1cc(F)cc(CN2CC[C@@](O)(C(N)=O)C2)c1O	ZINC000276480336	389516844	/nfs/dbraw/zinc/51/68/44/389516844.db2.gz	RYAKMECXLSTANJ-AWEZNQCLSA-N	-1	0	296.298	0.156	20	10		CCCDRM
NC(=O)[C@H]1CN(Cc2c([O-])ccc(Cl)c2F)CCO1	ZINC000191294667	329411902	/nfs/dbraw/zinc/41/19/02/329411902.db2.gz	OUPLSZRXUVEFRS-SNVBAGLBSA-N	-1	0	288.706	0.871	20	10		CCCDRM
CN(Cc1ccccc1O)C(=O)COCCNC(=O)[O-]	ZINC000739713904	581598074	/nfs/dbraw/zinc/59/80/74/581598074.db2.gz	FSHHGJGSNGBCBF-UHFFFAOYSA-N	-1	0	282.296	0.635	20	10		CCCDRM
C[C@@H]1COCCN1CCNC(=O)C1=CC(=O)CS1	ZINC000732286267	581817322	/nfs/dbraw/zinc/81/73/22/581817322.db2.gz	BMVUAHYYDQFIKM-SECBINFHSA-N	-1	0	270.354	0.904	20	10		CCCDRM
O=C([O-])[C@H]1C[C@H]1C(=O)NCc1ccc(O)c(O)c1	ZINC000833178641	604918326	/nfs/dbraw/zinc/91/83/26/604918326.db2.gz	HQDFYFSKJIQOGR-SFYZADRCSA-N	-1	0	251.238	0.435	20	10		CCCDRM
O=C([O-])NC1(C(=O)NCCc2ccc(O)c(O)c2)CC1	ZINC000834150717	605708068	/nfs/dbraw/zinc/70/80/68/605708068.db2.gz	HOTUCLVQYGCSMJ-UHFFFAOYSA-N	-1	0	280.280	0.557	20	10		CCCDRM
COc1cccc(CNC(=O)NCCN(C)C(=O)[O-])c1O	ZINC000829558787	617298593	/nfs/dbraw/zinc/29/85/93/617298593.db2.gz	DBHBUBOSEIZSDC-UHFFFAOYSA-N	-1	0	297.311	0.810	20	10		CCCDRM
CCOCC(=O)N(CC(=O)[O-])Cc1ccccc1O	ZINC000911483999	615231095	/nfs/dbraw/zinc/23/10/95/615231095.db2.gz	JRJUZVXLPGPGRV-UHFFFAOYSA-N	-1	0	267.281	0.842	20	10		CCCDRM
CC[C@@H](Sc1ncc(S(N)(=O)=O)s1)C(=O)[O-]	ZINC000844207032	615548567	/nfs/dbraw/zinc/54/85/67/615548567.db2.gz	SBJICWNFLFMWSI-SCSAIBSYSA-N	-1	0	282.368	0.746	20	10		CCCDRM
CN(C)c1ccc2c(c1)OCCN2C(=O)CNC(=O)[O-]	ZINC000828073295	616020217	/nfs/dbraw/zinc/02/02/17/616020217.db2.gz	IQPDOCSEYBLYGU-UHFFFAOYSA-N	-1	0	279.296	0.746	20	10		CCCDRM
CN(CC(=O)[O-])C(=O)/C=C\c1ccc(O)c(O)c1	ZINC000820562302	616049462	/nfs/dbraw/zinc/04/94/62/616049462.db2.gz	FLPLQDDWYQXWQI-HYXAFXHYSA-N	-1	0	251.238	0.654	20	10		CCCDRM
CN(Cc1nncn1C)c1ccc(OCC(=O)[O-])cc1	ZINC000846280452	616111238	/nfs/dbraw/zinc/11/12/38/616111238.db2.gz	WRUPRIOYGYLLQS-UHFFFAOYSA-N	-1	0	276.296	0.915	20	10		CCCDRM
CN(C)c1ccc(CN(C)C(=O)COCC(=O)[O-])cc1	ZINC000041073279	616166734	/nfs/dbraw/zinc/16/67/34/616166734.db2.gz	FQRUHHHYMVCXNZ-UHFFFAOYSA-N	-1	0	280.324	0.812	20	10		CCCDRM
C[N@@H+]1CCC[C@H]1C(=O)N(CC(=O)[O-])Cc1ccccc1O	ZINC000911483498	616209077	/nfs/dbraw/zinc/20/90/77/616209077.db2.gz	BJAWDNNWYKPXIP-LBPRGKRZSA-N	-1	0	292.335	0.900	20	10		CCCDRM
C[C@@H]1CNC(=O)CN1Cc1ccc(C(=O)[O-])cc1O	ZINC001231454739	805803462	/nfs/dbraw/zinc/80/34/62/805803462.db2.gz	IUBBOHXEESSWAN-MRVPVSSYSA-N	-1	0	264.281	0.411	20	10		CCCDRM
NC(=O)[C@@H]1C[C@H](F)CN1Cc1ccc(C(=O)[O-])cc1O	ZINC001231452013	805806792	/nfs/dbraw/zinc/80/67/92/805806792.db2.gz	ATAYUIJBVPFJPL-UWVGGRQHSA-N	-1	0	282.271	0.488	20	10		CCCDRM
O=C([O-])c1ccc(O)c(CN2CCn3nncc3C2)c1	ZINC001231565293	805817449	/nfs/dbraw/zinc/81/74/49/805817449.db2.gz	DEDCGYPSWSJPFY-UHFFFAOYSA-N	-1	0	274.280	0.698	20	10		CCCDRM
COC(=O)CN(C)Cc1cc(C(=O)[O-])ccc1O	ZINC001231565614	805818021	/nfs/dbraw/zinc/81/80/21/805818021.db2.gz	IIJQSNRLDQOLMM-UHFFFAOYSA-N	-1	0	253.254	0.695	20	10		CCCDRM
[O-]c1cc(F)cc(F)c1CN1CCOC[C@H](O)C1	ZINC001140583202	799923530	/nfs/dbraw/zinc/92/35/30/799923530.db2.gz	YZSHWXXGSYFPNH-SECBINFHSA-N	-1	0	259.252	0.864	20	10		CCCDRM
O=S(=O)(NCc1c(O)cccc1F)c1c[nH]cn1	ZINC001213797704	803704757	/nfs/dbraw/zinc/70/47/57/803704757.db2.gz	KVJZPXNSWYSFSS-UHFFFAOYSA-N	-1	0	271.273	0.733	20	10		CCCDRM
O=C(NCc1cn[nH]c1)c1cc(=O)n(-c2ccccc2)[n-]1	ZINC001147889409	840704641	/nfs/dbraw/zinc/70/46/41/840704641.db2.gz	JGNKNYCPQVMCSE-UHFFFAOYSA-N	-1	0	283.291	0.819	20	10		CCCDRM
Cn1cnc(CC(=O)NCC(=O)c2ccc(O)c(O)c2)c1	ZINC001177852707	842696009	/nfs/dbraw/zinc/69/60/09/842696009.db2.gz	CUEQSJPDGQGYEI-UHFFFAOYSA-N	-1	0	289.291	0.373	20	10		CCCDRM
O=S(=O)(NCc1cccc(O)c1O)c1ncc[n-]1	ZINC001190748803	845490045	/nfs/dbraw/zinc/49/00/45/845490045.db2.gz	HRBLYQMIIVCFEE-UHFFFAOYSA-N	-1	0	269.282	0.299	20	10		CCCDRM
O=C(NC[C@H](O)CF)c1cc(O)c([O-])c(Cl)c1	ZINC001193634688	846131043	/nfs/dbraw/zinc/13/10/43/846131043.db2.gz	GMHPUVWIOKCEIT-ZCFIWIBFSA-N	-1	0	263.652	0.811	20	10		CCCDRM
CCCS(=O)(=O)NCC(=O)c1ccc(O)c(O)c1	ZINC001253739783	851602141	/nfs/dbraw/zinc/60/21/41/851602141.db2.gz	RITXKUORHVQGFI-UHFFFAOYSA-N	-1	0	273.310	0.610	20	10		CCCDRM
O=C([O-])c1cnn2c1[nH]c(CN1CCCOCC1)cc2=O	ZINC001326803183	914188900	/nfs/dbraw/zinc/18/89/00/914188900.db2.gz	CITNNLYWVUPRJQ-UHFFFAOYSA-N	-1	0	292.295	0.355	20	10		CCCDRM
O=C([O-])[C@@]1(C(=O)NCc2ccc(O)cc2O)CCCO1	ZINC001594863335	954298059	/nfs/dbraw/zinc/29/80/59/954298059.db2.gz	NDUGSVYYGLVCQJ-ZDUSSCGKSA-N	-1	0	281.264	0.348	20	10		CCCDRM
Nc1ccc(CC(=O)NCCSCC(=O)[O-])cc1	ZINC000389445748	972225121	/nfs/dbraw/zinc/22/51/21/972225121.db2.gz	NENZEOPMSNJUSG-UHFFFAOYSA-N	-1	0	268.338	0.745	20	10		CCCDRM
COCCN(CC(=O)[O-])Cc1ccc(OC)c(OC)c1O	ZINC001593999582	956916063	/nfs/dbraw/zinc/91/60/63/956916063.db2.gz	CUFXVMRNAATOPZ-UHFFFAOYSA-N	-1	0	299.323	0.942	20	10		CCCDRM
CC(C)(C(=O)[O-])C(=O)OCC(=O)c1ccc(O)c(O)c1	ZINC001588618648	959534248	/nfs/dbraw/zinc/53/42/48/959534248.db2.gz	QPOVCMOTYHBZFO-UHFFFAOYSA-N	-1	0	282.248	0.935	20	10		CCCDRM
C[C@@]1(C(=O)[O-])CCN(C(=O)Cc2ccc(O)c(O)c2)C1	ZINC001593787939	996504716	/nfs/dbraw/zinc/50/47/16/996504716.db2.gz	VZKSQOQESUQRTP-CQSZACIVSA-N	-1	0	279.292	0.964	20	10		CCCDRM
COC[C@](C)(CC(=O)[O-])NC(=O)Cc1ccc(O)c(O)c1	ZINC001599146813	998226810	/nfs/dbraw/zinc/22/68/10/998226810.db2.gz	GAOUYZCGJGAHDT-AWEZNQCLSA-N	-1	0	297.307	0.636	20	10		CCCDRM
COc1ccc(CNC(=O)NC[C@H](F)C(=O)[O-])c(O)c1	ZINC001599567028	998303751	/nfs/dbraw/zinc/30/37/51/998303751.db2.gz	MALGPOLZUVBUEB-VIFPVBQESA-N	-1	0	286.259	0.623	20	10		CCCDRM
CO[C@@]1(C(=O)[O-])CCN(C(=O)Cc2ccc(O)c(O)c2)C1	ZINC001599071940	999338850	/nfs/dbraw/zinc/33/88/50/999338850.db2.gz	ZGLNKKOSKPIGOE-AWEZNQCLSA-N	-1	0	295.291	0.342	20	10		CCCDRM
COc1ccc(N(C)Cc2n[nH]c(=O)[n-]2)c(OC)c1	ZINC000089263413	349380580	/nfs/dbraw/zinc/38/05/80/349380580.db2.gz	QJXGFQGCZGTUCO-UHFFFAOYSA-N	-1	0	264.285	0.752	20	10		CCCDRM
CCN1CC(=O)N[C@H]1c1cc([N+](=O)[O-])ccc1[O-]	ZINC000189891037	285182383	/nfs/dbraw/zinc/18/23/83/285182383.db2.gz	LDYGXPJYZYIUAC-LLVKDONJSA-N	-1	0	251.242	0.751	20	10		CCCDRM
O=C([O-])[C@H]1C[C@H]1C(=O)NCCc1ccc(O)c(O)c1	ZINC000833179604	604916454	/nfs/dbraw/zinc/91/64/54/604916454.db2.gz	SXBNFGTTXGXSOQ-BDAKNGLRSA-N	-1	0	265.265	0.477	20	10		CCCDRM
COc1cc([N-]S(=O)(=O)c2c[nH]cn2)ccc1O	ZINC000797820200	617207353	/nfs/dbraw/zinc/20/73/53/617207353.db2.gz	LBPUUJJGKXKNBJ-UHFFFAOYSA-N	-1	0	269.282	0.925	20	10		CCCDRM
CCn1nncc1C(=O)OCC(=O)c1ccc(O)c(O)c1	ZINC000815527438	615751035	/nfs/dbraw/zinc/75/10/35/615751035.db2.gz	CGHFRSQPLTVNMS-UHFFFAOYSA-N	-1	0	291.263	0.749	20	10		CCCDRM
CN(C(=O)c1cccc(O)c1O)[C@@H]1CCS(=O)(=O)C1	ZINC000126270696	615904653	/nfs/dbraw/zinc/90/46/53/615904653.db2.gz	WLOOERJLLRMTRA-MRVPVSSYSA-N	-1	0	285.321	0.357	20	10		CCCDRM
CN1C(=O)C(=Cc2ccc(C(=O)[O-])[nH]2)C(=O)N(C)C1=O	ZINC000830894095	616119544	/nfs/dbraw/zinc/11/95/44/616119544.db2.gz	FPOUZRUOZZYGBZ-UHFFFAOYSA-N	-1	0	277.236	0.147	20	10		CCCDRM
COC(=O)C[C@@H](NC(=O)C1=CC(=O)CS1)C(=O)[O-]	ZINC000831134506	616646913	/nfs/dbraw/zinc/64/69/13/616646913.db2.gz	QIOVBIYMFQLUHJ-ZCFIWIBFSA-N	-1	0	273.266	0.200	20	10		CCCDRM
O=C([O-])c1ccc(C[N@@H+]2CCN3C(=O)OC[C@H]3C2)c(O)c1	ZINC001231455625	805805921	/nfs/dbraw/zinc/80/59/21/805805921.db2.gz	SCKWSDNHSLKBHD-LLVKDONJSA-N	-1	0	292.291	0.727	20	10		CCCDRM
Nc1cncc(S(=O)(=O)[N-]c2ccc(O)c(CO)c2)c1	ZINC001216138369	803835226	/nfs/dbraw/zinc/83/52/26/803835226.db2.gz	BRNHKEMVGAFBFZ-UHFFFAOYSA-N	-1	0	295.320	0.663	20	10		CCCDRM
COC(=O)CS(=O)(=O)[N-]c1ccc(O)cc1OC	ZINC001259025802	808722614	/nfs/dbraw/zinc/72/26/14/808722614.db2.gz	AYWGVEKTLJCAFY-UHFFFAOYSA-N	-1	0	275.282	0.316	20	10		CCCDRM
Nc1cn(C(=O)c2cc(=O)n(-c3ccccc3)[n-]2)nc1N	ZINC001147881121	840714836	/nfs/dbraw/zinc/71/48/36/840714836.db2.gz	PTKXOTMIURHENV-UHFFFAOYSA-N	-1	0	284.279	0.481	20	10		CCCDRM
C[C@]1(O)CCN(C(=O)c2cc(=O)n(-c3ccccc3)[n-]2)C1	ZINC001147880451	840715079	/nfs/dbraw/zinc/71/50/79/840715079.db2.gz	AAMAWWIZRHSGRD-HNNXBMFYSA-N	-1	0	287.319	0.763	20	10		CCCDRM
Nc1nonc1NC(=O)c1cc(=O)n(-c2ccccc2)[n-]1	ZINC001147878395	840715339	/nfs/dbraw/zinc/71/53/39/840715339.db2.gz	FTDVPBUCGLRAMR-UHFFFAOYSA-N	-1	0	286.251	0.383	20	10		CCCDRM
O=C(NC1=CCOC1=O)c1ccc(O)c(O)c1Cl	ZINC001193247080	846033569	/nfs/dbraw/zinc/03/35/69/846033569.db2.gz	KCUDSGOAQRTJNO-UHFFFAOYSA-N	-1	0	269.640	0.922	20	10		CCCDRM
O=C(N[C@H]1COC(=O)C1)c1cc(O)c([O-])c(Cl)c1	ZINC001193625355	846128341	/nfs/dbraw/zinc/12/83/41/846128341.db2.gz	HLMNSGATOQRULV-ZCFIWIBFSA-N	-1	0	271.656	0.797	20	10		CCCDRM
CCn1[n-]nnc1=NC(=O)NCc1c(O)cccc1F	ZINC001310733851	908509909	/nfs/dbraw/zinc/50/99/09/908509909.db2.gz	ANINDMBOQMXFTK-UHFFFAOYSA-N	-1	0	280.263	0.281	20	10		CCCDRM
O=C([O-])C(=O)NCc1ccc(N2CCC(O)CC2)cc1	ZINC001594828630	953959170	/nfs/dbraw/zinc/95/91/70/953959170.db2.gz	XEKPCBBEMYXUJB-UHFFFAOYSA-N	-1	0	278.308	0.349	20	10		CCCDRM
CC(=O)C(=O)COC(=O)C=Cc1ccc(C(=O)[O-])o1	ZINC001588485809	958607144	/nfs/dbraw/zinc/60/71/44/958607144.db2.gz	KCHOSFWEIFBDRE-HYXAFXHYSA-N	-1	0	266.205	0.692	20	10		CCCDRM
C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NCc1ccc(O)c(O)c1	ZINC001594228105	959449093	/nfs/dbraw/zinc/44/90/93/959449093.db2.gz	HWTLWJJIKMTRHI-UHLUBPPHSA-N	-1	0	265.265	0.825	20	10		CCCDRM
CC(=O)C(=O)COC(=O)Cc1cccc(C(=O)[O-])c1	ZINC001589021893	985015397	/nfs/dbraw/zinc/01/53/97/985015397.db2.gz	YMAIGDQPTBCPAX-UHFFFAOYSA-N	-1	0	264.233	0.629	20	10		CCCDRM
CN(CCN1CCOCC1)C(=O)c1cccc(O)c1O	ZINC000193008420	351807130	/nfs/dbraw/zinc/80/71/30/351807130.db2.gz	IHPLZTNJTGSSCP-UHFFFAOYSA-N	-1	0	280.324	0.502	20	10		CCCDRM
CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc(=O)[nH][n-]1	ZINC000791372312	581218093	/nfs/dbraw/zinc/21/80/93/581218093.db2.gz	BYVOACQVVDUVMK-UHFFFAOYSA-N	-1	0	288.307	0.354	20	10		CCCDRM
O=C([O-])CCNC(=O)COC(=O)C1=CC(=O)CS1	ZINC000739733041	581597609	/nfs/dbraw/zinc/59/76/09/581597609.db2.gz	FFWOSSUBKWUTNV-UHFFFAOYSA-N	-1	0	273.266	0.201	20	10		CCCDRM
CN(C)c1ccc2c(c1)OCCN2C(=O)c1nc[nH]n1	ZINC000746208217	581900763	/nfs/dbraw/zinc/90/07/63/581900763.db2.gz	VNSAQLKINLSARC-UHFFFAOYSA-N	-1	0	273.296	0.910	20	10		CCCDRM
O=C([O-])NC1(C(=O)NCc2ccccc2O)CC1	ZINC000832172611	604751214	/nfs/dbraw/zinc/75/12/14/604751214.db2.gz	MSGMNOXUTHLSHG-UHFFFAOYSA-N	-1	0	250.254	0.809	20	10		CCCDRM
C[C@H](NC(=O)[O-])C(=O)NCCc1ccc(O)c(O)c1	ZINC000825185918	605518360	/nfs/dbraw/zinc/51/83/60/605518360.db2.gz	KFHIBCGXZVACPC-ZETCQYMHSA-N	-1	0	268.269	0.413	20	10		CCCDRM
O=C([O-])N1CCC[C@H]1C(=O)NCc1ccc(O)c(O)c1	ZINC000831714600	605523145	/nfs/dbraw/zinc/52/31/45/605523145.db2.gz	FAXBEKMVMNAXRK-VIFPVBQESA-N	-1	0	280.280	0.856	20	10		CCCDRM
CCCN(Cc1ccccc1O)C(=O)NCC(=O)[N-]OC	ZINC000927210726	614585851	/nfs/dbraw/zinc/58/58/51/614585851.db2.gz	HBLVLSKDXZKNNS-UHFFFAOYSA-N	-1	0	295.339	0.991	20	10		CCCDRM
CCn1[n-]nnc1=NC(=O)NCc1ccc(N(C)C)cc1	ZINC000888344892	615915222	/nfs/dbraw/zinc/91/52/22/615915222.db2.gz	NCEDYZQLRFEDFL-UHFFFAOYSA-N	-1	0	289.343	0.503	20	10		CCCDRM
CN(C)C(=O)CN(C)c1ccc(OCC(=O)[O-])cc1	ZINC000833687311	615960475	/nfs/dbraw/zinc/96/04/75/615960475.db2.gz	DUXIVVVFMBGJKQ-UHFFFAOYSA-N	-1	0	266.297	0.674	20	10		CCCDRM
CN(Cc1nnnn1C)c1ccc(OCC(=O)[O-])cc1	ZINC000846279919	616112204	/nfs/dbraw/zinc/11/22/04/616112204.db2.gz	QEPRNSSMZHWPQB-UHFFFAOYSA-N	-1	0	277.284	0.310	20	10		CCCDRM
CN1C(=O)C(=Cc2c[nH]c(C(=O)[O-])c2)C(=O)N(C)C1=O	ZINC000830893595	616119573	/nfs/dbraw/zinc/11/95/73/616119573.db2.gz	ADMQMMYJTDUVNE-UHFFFAOYSA-N	-1	0	277.236	0.147	20	10		CCCDRM
Nc1ccc(CC(=O)N2CCOC[C@@H]2C(=O)[O-])cc1	ZINC000088382819	637311844	/nfs/dbraw/zinc/31/18/44/637311844.db2.gz	VQCKHKWTZMVOEX-LLVKDONJSA-N	-1	0	264.281	0.123	20	10		CCCDRM
Cn1cc(S(=O)(=O)[N-]c2ccc(O)cc2)cn1	ZINC000048440716	649321615	/nfs/dbraw/zinc/32/16/15/649321615.db2.gz	LJHJYCNLXSSEBD-UHFFFAOYSA-N	-1	0	253.283	0.927	20	10		CCCDRM
COC(=O)[C@@H]1C(=O)NCCN1Cc1cccc(Cl)c1[O-]	ZINC001231912948	805865562	/nfs/dbraw/zinc/86/55/62/805865562.db2.gz	AUSBIAVZNGFMMA-JTQLQIEISA-N	-1	0	298.726	0.519	20	10		CCCDRM
[O-]c1c(F)ccc(F)c1CN1CCO[C@@H](CO)C1	ZINC001139680750	799829313	/nfs/dbraw/zinc/82/93/13/799829313.db2.gz	AZQWGVLTOJEWCZ-MRVPVSSYSA-N	-1	0	259.252	0.864	20	10		CCCDRM
CN(CCO)C(=O)c1cc(=O)n(-c2ccccc2)[n-]1	ZINC001161110878	802092692	/nfs/dbraw/zinc/09/26/92/802092692.db2.gz	KTIJSJGEDABTLY-UHFFFAOYSA-N	-1	0	261.281	0.230	20	10		CCCDRM
CN(C)c1n[nH]c(CNCc2cc([N+](=O)[O-])ccc2[O-])n1	ZINC001204134973	803068217	/nfs/dbraw/zinc/06/82/17/803068217.db2.gz	BXNXVRBAMZUOQD-UHFFFAOYSA-N	-1	0	292.299	0.774	20	10		CCCDRM
Nc1c2c(=O)nccc-2[n-]n1C(=O)Cc1ccc(N)cc1	ZINC001221236384	804751615	/nfs/dbraw/zinc/75/16/15/804751615.db2.gz	FKZZLBUTJDFVOC-UHFFFAOYSA-N	-1	0	283.291	0.724	20	10		CCCDRM
CN1CC[C@@]2(CCN(C(=O)c3cc([O-])[nH]c(=O)c3)C2)C1=O	ZINC001269381295	813349963	/nfs/dbraw/zinc/34/99/63/813349963.db2.gz	JEVNUBWZKJQPQF-AWEZNQCLSA-N	-1	0	291.307	0.187	20	10		CCCDRM
Nc1cnc(NC(=O)c2cc(=O)n(-c3ccccc3)[n-]2)cn1	ZINC001147878367	840715143	/nfs/dbraw/zinc/71/51/43/840715143.db2.gz	DFCJABDGQJBOAC-UHFFFAOYSA-N	-1	0	296.290	0.790	20	10		CCCDRM
Cn1cc(NC(=O)c2cc(=O)n(-c3ccccc3)[n-]2)nn1	ZINC001147881511	840715159	/nfs/dbraw/zinc/71/51/59/840715159.db2.gz	YYGFSJSVRSKNKD-UHFFFAOYSA-N	-1	0	284.279	0.547	20	10		CCCDRM
CO[C@H](C)C(=O)NCC(=O)c1ccc(O)c(O)c1	ZINC001181460033	843494191	/nfs/dbraw/zinc/49/41/91/843494191.db2.gz	XCMMETFBSRTODK-SSDOTTSWSA-N	-1	0	253.254	0.432	20	10		CCCDRM
O=C(CCCc1nnn[n-]1)NCc1ccccc1O	ZINC001137471544	853806448	/nfs/dbraw/zinc/80/64/48/853806448.db2.gz	PUZJXGBDEBXFML-UHFFFAOYSA-N	-1	0	261.285	0.544	20	10		CCCDRM
O=C([O-])[C@H](CO)[NH2+]Cc1c([O-])ccc(Cl)c1F	ZINC001332032010	917814342	/nfs/dbraw/zinc/81/43/42/917814342.db2.gz	GLYUBMWHYCJUJI-ZETCQYMHSA-N	-1	0	263.652	0.720	20	10		CCCDRM
O=C(CO[C@@H]1CCOC1)NCc1c(O)cccc1F	ZINC001334373753	919532899	/nfs/dbraw/zinc/53/28/99/919532899.db2.gz	HRUBFODREDETJF-SECBINFHSA-N	-1	0	269.272	0.953	20	10		CCCDRM
CO[C@@](C)(C(=O)[O-])C(=O)OCC(=O)c1ccc(O)c(O)c1	ZINC001593929440	956156396	/nfs/dbraw/zinc/15/63/96/956156396.db2.gz	AQNQMKNZWWQRFZ-ZDUSSCGKSA-N	-1	0	298.247	0.313	20	10		CCCDRM
CN(C)c1ccc(OCC(=O)NCC(=O)[O-])cc1	ZINC001604090989	972490587	/nfs/dbraw/zinc/49/05/87/972490587.db2.gz	NXXJGFSEYRJJHP-UHFFFAOYSA-N	-1	0	252.270	0.332	20	10		CCCDRM
C[C@](CO)([NH2+]Cc1ccc(F)c(F)c1[O-])C(=O)[O-]	ZINC001592750938	979317317	/nfs/dbraw/zinc/31/73/17/979317317.db2.gz	QJOIBXSZDZJZBD-LLVKDONJSA-N	-1	0	261.224	0.596	20	10		CCCDRM
CN(C)c1ccc(OC[C@@H]2CNC(=O)C2)cc1C(=O)[O-]	ZINC001598328417	991350480	/nfs/dbraw/zinc/35/04/80/991350480.db2.gz	LDPMUFZYLMADHU-VIFPVBQESA-N	-1	0	278.308	0.966	20	10		CCCDRM
CN(CC(N)=O)Cc1c2cc(F)ccc2n(C)c1C(=O)[O-]	ZINC001598430618	991794062	/nfs/dbraw/zinc/79/40/62/991794062.db2.gz	UGZIMUNGKCSDRY-UHFFFAOYSA-N	-1	0	293.298	0.933	20	10		CCCDRM
CON(C)C(=O)CSc1ncc(C(=O)[O-])s1	ZINC001599315499	997492949	/nfs/dbraw/zinc/49/29/49/997492949.db2.gz	VZOPZJGWZVTIAB-UHFFFAOYSA-N	-1	0	262.312	0.953	20	10		CCCDRM
COc1ccc(N(C)CC(=O)NCC(=O)[O-])cc1F	ZINC000294793748	199186470	/nfs/dbraw/zinc/18/64/70/199186470.db2.gz	OQXDSZXGFCLIKP-UHFFFAOYSA-N	-1	0	270.260	0.471	20	10		CCCDRM
C[C@H]1OCC[C@@]1(O)CNC(=O)c1cccc(O)c1O	ZINC000228706109	389154789	/nfs/dbraw/zinc/15/47/89/389154789.db2.gz	ARHLIJSERUTZIK-AMIZOPFISA-N	-1	0	267.281	0.368	20	10		CCCDRM
CNC(=O)CN(C)c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-]	ZINC000013211594	170539559	/nfs/dbraw/zinc/53/95/59/170539559.db2.gz	VOYAQLMSXCHWMQ-GQCTYLIASA-N	-1	0	293.279	0.875	20	10		CCCDRM
O=C([O-])[C@@]1([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])CCOC1	ZINC000789901901	581161302	/nfs/dbraw/zinc/16/13/02/581161302.db2.gz	GXQGEDMNKORHRA-GFCCVEGCSA-N	-1	0	282.252	0.634	20	10		CCCDRM
CN(C)c1ccc(CNC(=O)CN(C)C(=O)[O-])cc1	ZINC000739624611	581582992	/nfs/dbraw/zinc/58/29/92/581582992.db2.gz	SYPQMHALBSDMMO-UHFFFAOYSA-N	-1	0	265.313	0.979	20	10		CCCDRM
CN1CC[C@@H]([N@H+](C)Cc2cc3c(cc2O)OC[C@H]3O)C1=O	ZINC000768445889	582106667	/nfs/dbraw/zinc/10/66/67/582106667.db2.gz	KDDYSUSTFKRWQX-DGCLKSJQSA-N	-1	0	292.335	0.481	20	10		CCCDRM
Cc1ccc(C(=O)N(C)[C@H](C)C(=O)[O-])c(O)c1O	ZINC000821058482	597669067	/nfs/dbraw/zinc/66/90/67/597669067.db2.gz	VCZXLLVCZCNTJH-SSDOTTSWSA-N	-1	0	253.254	0.951	20	10		CCCDRM
O=C([O-])N1CCOC[C@H]1C(=O)NCc1ccccc1O	ZINC000831720494	605827955	/nfs/dbraw/zinc/82/79/55/605827955.db2.gz	YAPRNPFGNFCVRY-JTQLQIEISA-N	-1	0	280.280	0.387	20	10		CCCDRM
COc1ccc(CNC(=O)CSCC(=O)[O-])c(O)c1	ZINC000842694460	617253400	/nfs/dbraw/zinc/25/34/00/617253400.db2.gz	PVFYJXPJAZMXJO-UHFFFAOYSA-N	-1	0	285.321	0.835	20	10		CCCDRM
COc1ccc(O)c(CNC(=O)C2(C(=O)[O-])CC2)c1	ZINC000911386870	617272847	/nfs/dbraw/zinc/27/28/47/617272847.db2.gz	JAABHDSZRCHLHY-UHFFFAOYSA-N	-1	0	265.265	0.882	20	10		CCCDRM
CN(CC[S@](C)=O)c1ccc(OCC(=O)[O-])cc1	ZINC000846279803	616124018	/nfs/dbraw/zinc/12/40/18/616124018.db2.gz	LPWNRQULQNWRDJ-SFHVURJKSA-N	-1	0	271.338	0.965	20	10		CCCDRM
CN(Cc1ccccc1O)C(=O)C(=O)NCCCC(=O)[O-]	ZINC000843259053	616170699	/nfs/dbraw/zinc/17/06/99/616170699.db2.gz	IJAYPXLNNIKVLV-UHFFFAOYSA-N	-1	0	294.307	0.332	20	10		CCCDRM
COC[C@H]1C(=O)N[C@@H](c2cc(F)cc(F)c2[O-])N1C	ZINC000887329976	616762310	/nfs/dbraw/zinc/76/23/10/616762310.db2.gz	UTGFMRADFPDQDP-GXSJLCMTSA-N	-1	0	272.251	0.746	20	10		CCCDRM
C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)N1C(=O)c1cccc(O)c1O	ZINC000911800071	636392199	/nfs/dbraw/zinc/39/21/99/636392199.db2.gz	NCYLHJOWXHCUSI-DJLDLDEBSA-N	-1	0	278.308	0.835	20	10		CCCDRM
NC(=O)CN1CCN(Cc2cccc(Cl)c2[O-])CC1=O	ZINC000839171155	640304022	/nfs/dbraw/zinc/30/40/22/640304022.db2.gz	ZOPAIWAZURGGFV-UHFFFAOYSA-N	-1	0	297.742	0.175	20	10		CCCDRM
O=C1NCC2(CN(Cc3ccc(F)c(F)c3[O-])C2)O1	ZINC000877595932	646827157	/nfs/dbraw/zinc/82/71/57/646827157.db2.gz	GADLWLYNSSXFED-UHFFFAOYSA-N	-1	0	270.235	0.965	20	10		CCCDRM
O=C([O-])c1ccc(CN2CCO[C@@H](CO)C2)c(O)c1	ZINC001231447162	805804649	/nfs/dbraw/zinc/80/46/49/805804649.db2.gz	ORAAXDFBRSGKGE-LLVKDONJSA-N	-1	0	267.281	0.284	20	10		CCCDRM
O=C(N=c1[nH]cnn2cccc12)c1cccc(O)c1[O-]	ZINC001148212711	840761642	/nfs/dbraw/zinc/76/16/42/840761642.db2.gz	HGGOKTPBIMKIDN-UHFFFAOYSA-N	-1	0	270.248	0.815	20	10		CCCDRM
CC(C)(O)CONC(=O)c1c(F)ccc(O)c1[O-]	ZINC001183358937	844005996	/nfs/dbraw/zinc/00/59/96/844005996.db2.gz	JPRJTEOQWFGXIG-UHFFFAOYSA-N	-1	0	259.233	0.669	20	10		CCCDRM
COCC[C@H](COC)NC(=O)c1cccc(O)c1O	ZINC000382021143	850444900	/nfs/dbraw/zinc/44/49/00/850444900.db2.gz	PIFZZILQANYQFF-SECBINFHSA-N	-1	0	269.297	0.879	20	10		CCCDRM
O=C([O-])[C@@]1(NC(=O)C2=CC(=O)CS2)CCOC1	ZINC001601430934	970995384	/nfs/dbraw/zinc/99/53/84/970995384.db2.gz	UCRLNXCVLSCNGM-SNVBAGLBSA-N	-1	0	257.267	0.427	20	10		CCCDRM
CN(c1ccc2c(c1)OCO2)[C@@H]1CCN(CC(=O)[O-])C1=O	ZINC001593766369	954519632	/nfs/dbraw/zinc/51/96/32/954519632.db2.gz	MPAWHSCKZFAYGW-SNVBAGLBSA-N	-1	0	292.291	0.537	20	10		CCCDRM
Nc1ccc(CC(=O)N[C@@]2(C(=O)[O-])CCOC2)cc1	ZINC000085859332	957948443	/nfs/dbraw/zinc/94/84/43/957948443.db2.gz	KYODVYPVHLTJDL-ZDUSSCGKSA-N	-1	0	264.281	0.171	20	10		CCCDRM
Cc1ccc(O)c(CN2CCOC[C@@H]2C(=O)[O-])c1	ZINC000088381762	958054775	/nfs/dbraw/zinc/05/47/75/958054775.db2.gz	VIAZYMHBXODCMP-LLVKDONJSA-N	-1	0	251.282	0.986	20	10		CCCDRM
COc1ccc(O)c(CNC(=O)[C@@H](C)C(=O)[O-])c1	ZINC001594105956	958468966	/nfs/dbraw/zinc/46/89/66/958468966.db2.gz	RUYMQWQLQWXYHD-SSDOTTSWSA-N	-1	0	253.254	0.738	20	10		CCCDRM
O=C([O-])[C@@H]1CN(C(=O)c2cccc(O)c2O)CCO1	ZINC000126013225	967621812	/nfs/dbraw/zinc/62/18/12/967621812.db2.gz	OQJPFRAKQQUFGU-VIFPVBQESA-N	-1	0	267.237	0.023	20	10		CCCDRM
C[C@H](NC(=O)NCCOCC(=O)[O-])c1ccccc1O	ZINC001605042781	972660229	/nfs/dbraw/zinc/66/02/29/972660229.db2.gz	NUIFVAGCUMRQDN-VIFPVBQESA-N	-1	0	282.296	0.854	20	10		CCCDRM
CO[C@@](C)(C(=O)[O-])C(=O)NCc1c(O)cccc1O	ZINC001604463607	973324246	/nfs/dbraw/zinc/32/42/46/973324246.db2.gz	RKRLRPUIAUJANI-GFCCVEGCSA-N	-1	0	269.253	0.204	20	10		CCCDRM
Cn1nccc1[C@H](NC(=O)c1cccc(O)c1O)C(=O)[O-]	ZINC000402812067	973650617	/nfs/dbraw/zinc/65/06/17/973650617.db2.gz	JZMSUZIBNRIKEX-JTQLQIEISA-N	-1	0	291.263	0.387	20	10		CCCDRM
CCOC(=O)CN(Cc1ccccc1O)C(=O)CC(=O)[O-]	ZINC001596622410	984600636	/nfs/dbraw/zinc/60/06/36/984600636.db2.gz	XHWHXBXOTNEDFR-UHFFFAOYSA-N	-1	0	295.291	0.759	20	10		CCCDRM
CCOC[C@@H](C(=O)[O-])N(C)C(=O)Cc1ccc(O)c(O)c1	ZINC001596872293	985700395	/nfs/dbraw/zinc/70/03/95/985700395.db2.gz	HJYXOTGINDBMOX-JTQLQIEISA-N	-1	0	297.307	0.588	20	10		CCCDRM
C[C@@H]([NH3+])C(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O	ZINC001599837918	988773841	/nfs/dbraw/zinc/77/38/41/988773841.db2.gz	SNPMGJSMNCFKFK-SSDOTTSWSA-N	-1	0	286.715	0.806	20	10		CCCDRM
COc1cccc(CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)c1O	ZINC001599673904	994862988	/nfs/dbraw/zinc/86/29/88/994862988.db2.gz	RJCDGOUMKHEULU-MNOVXSKESA-N	-1	0	295.291	0.649	20	10		CCCDRM
C[C@@]1(CSc2ncc(C(=O)[O-])s2)NC(=O)NC1=O	ZINC001594038491	997640800	/nfs/dbraw/zinc/64/08/00/997640800.db2.gz	BLNBEEJYLQTXAI-VIFPVBQESA-N	-1	0	287.322	0.532	20	10		CCCDRM
COCC(=O)N1CCN(Cc2ccccc2O)CC1	ZINC000179556413	389659505	/nfs/dbraw/zinc/65/95/05/389659505.db2.gz	PZYZYNZJTABDDV-UHFFFAOYSA-N	-1	0	264.325	0.683	20	10		CCCDRM
O=C([O-])C(=O)NCc1ccc(N2CCOCC2)c(F)c1	ZINC000274225668	263022160	/nfs/dbraw/zinc/02/21/60/263022160.db2.gz	ZYFUQJAOQUGPES-UHFFFAOYSA-N	-1	0	282.271	0.363	20	10		CCCDRM
CCC[C@H](NC(=O)Cc1ccc(N)cc1)c1nnn[n-]1	ZINC000236982063	521128382	/nfs/dbraw/zinc/12/83/82/521128382.db2.gz	IQCYXBSXXCOXTF-NSHDSACASA-N	-1	0	274.328	0.982	20	10		CCCDRM
CCN(CC(=O)NCC(=O)[O-])c1ccc(OC)cc1	ZINC000781135985	581259626	/nfs/dbraw/zinc/25/96/26/581259626.db2.gz	FDKUNRIYUHHKHT-UHFFFAOYSA-N	-1	0	266.297	0.722	20	10		CCCDRM
Cc1cc(N(C)C)ccc1CNC(=O)c1cc(=O)[nH][n-]1	ZINC000734557520	581573431	/nfs/dbraw/zinc/57/34/31/581573431.db2.gz	HAXHTNJTUZVZOT-UHFFFAOYSA-N	-1	0	274.324	0.553	20	10		CCCDRM
CN(C)c1ccc(CNC(=O)NCCNC(=O)[O-])cc1F	ZINC000739619537	581582123	/nfs/dbraw/zinc/58/21/23/581582123.db2.gz	XWTRXLMWBBFLKQ-UHFFFAOYSA-N	-1	0	298.318	0.959	20	10		CCCDRM
Cn1[n-]nnc1=NCc1ccc(N2CCOCC2)c(F)c1	ZINC000730804928	581736702	/nfs/dbraw/zinc/73/67/02/581736702.db2.gz	NLAKWSPSKFNYOA-UHFFFAOYSA-N	-1	0	292.318	0.220	20	10		CCCDRM
CCN1CCN(C(=O)C2=CC(=O)CS2)CC1=O	ZINC000758743194	581767708	/nfs/dbraw/zinc/76/77/08/581767708.db2.gz	MIAHTVMLSLTRRK-UHFFFAOYSA-N	-1	0	254.311	0.758	20	10		CCCDRM
COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1cn[nH]c1	ZINC000775287268	582017316	/nfs/dbraw/zinc/01/73/16/582017316.db2.gz	XQBCDSQUNNRFRM-UHFFFAOYSA-N	-1	0	297.292	0.703	20	10		CCCDRM
COc1ccc(O)c(CN2CCO[C@@H](C(=O)[O-])C2)c1	ZINC000086805981	605238908	/nfs/dbraw/zinc/23/89/08/605238908.db2.gz	MWDABVJHWGEVIY-GFCCVEGCSA-N	-1	0	267.281	0.686	20	10		CCCDRM
O=C([O-])N1CCOC[C@@H]1C(=O)NCc1ccccc1O	ZINC000831720495	605827825	/nfs/dbraw/zinc/82/78/25/605827825.db2.gz	YAPRNPFGNFCVRY-SNVBAGLBSA-N	-1	0	280.280	0.387	20	10		CCCDRM
Cc1cc(=O)n(C2=NS(=O)(=O)c3ccccc32)[n-]1	ZINC000917348411	614972698	/nfs/dbraw/zinc/97/26/98/614972698.db2.gz	YJGZJZCXMOCELL-UHFFFAOYSA-N	-1	0	263.278	0.744	20	10		CCCDRM
CC[C@H](CO)C(=O)N(CC(=O)[O-])Cc1ccccc1O	ZINC000911487102	615727927	/nfs/dbraw/zinc/72/79/27/615727927.db2.gz	BDDPFKJDJDBQGU-SNVBAGLBSA-N	-1	0	281.308	0.824	20	10		CCCDRM
CN(C)c1ccc(CNC(=O)CCCc2nnn[n-]2)cc1	ZINC000873829389	616014604	/nfs/dbraw/zinc/01/46/04/616014604.db2.gz	QTKDSRBDXXIRGN-UHFFFAOYSA-N	-1	0	288.355	0.905	20	10		CCCDRM
CN(CC(=O)NCc1ccc(O)c(O)c1)C(=O)[O-]	ZINC000828108187	616047705	/nfs/dbraw/zinc/04/77/05/616047705.db2.gz	NFFKUSSFSNMPKB-UHFFFAOYSA-N	-1	0	254.242	0.324	20	10		CCCDRM
COC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1ccc(O)cc1	ZINC000912522935	616814292	/nfs/dbraw/zinc/81/42/92/616814292.db2.gz	ZFRRWNKQLVUTOD-UHFFFAOYSA-N	-1	0	297.292	0.703	20	10		CCCDRM
CO[N-]C(=O)CNC(=O)NCc1c(O)cccc1F	ZINC000927218831	617113317	/nfs/dbraw/zinc/11/33/17/617113317.db2.gz	IMEXGCBWKGXESC-UHFFFAOYSA-N	-1	0	271.248	0.008	20	10		CCCDRM
O=C([O-])CN(Cc1ccccc1O)C(=O)[C@@H]1CCCO1	ZINC000911485339	636275982	/nfs/dbraw/zinc/27/59/82/636275982.db2.gz	YBJFYZGWHOWAOO-LBPRGKRZSA-N	-1	0	279.292	0.984	20	10		CCCDRM
CS(=O)(=O)NC1CN(Cc2cccc(Cl)c2[O-])C1	ZINC000862486189	645003203	/nfs/dbraw/zinc/00/32/03/645003203.db2.gz	VEEJAUBSKJYVFI-UHFFFAOYSA-N	-1	0	290.772	0.779	20	10		CCCDRM
CC(=O)NC1CN(Cc2c([O-])cc(F)cc2F)C1	ZINC001140583414	799923175	/nfs/dbraw/zinc/92/31/75/799923175.db2.gz	FQHCYMISNLCZBM-UHFFFAOYSA-N	-1	0	256.252	0.991	20	10		CCCDRM
NS(=O)(=O)[C@@H]1CCN(Cc2cc(F)cc(F)c2[O-])C1	ZINC000894531919	813868618	/nfs/dbraw/zinc/86/86/18/813868618.db2.gz	BIMFNHYJQCBPLH-SECBINFHSA-N	-1	0	292.307	0.533	20	10		CCCDRM
CCOCCS(=O)(=O)[N-]c1cccc(O)c1O	ZINC001187283699	844687189	/nfs/dbraw/zinc/68/71/89/844687189.db2.gz	OOIVEHFMTRABGH-UHFFFAOYSA-N	-1	0	261.299	0.876	20	10		CCCDRM
O=C(NCc1nc[nH]n1)c1cc(O)c([O-])c(Cl)c1	ZINC001193626209	846129983	/nfs/dbraw/zinc/12/99/83/846129983.db2.gz	SGDWFNLVABNMRJ-UHFFFAOYSA-N	-1	0	268.660	0.799	20	10		CCCDRM
COc1cccc(CNC(=O)[C@H](C)C(=O)[O-])c1O	ZINC001611066747	970876307	/nfs/dbraw/zinc/87/63/07/970876307.db2.gz	YENZKKUSFSERII-ZETCQYMHSA-N	-1	0	253.254	0.738	20	10		CCCDRM
O=C([O-])[C@@H]1CCN(C(=O)c2c(F)ccc(O)c2O)C1	ZINC001594925569	954813222	/nfs/dbraw/zinc/81/32/22/954813222.db2.gz	OPYVEPNEIDVHAN-ZCFIWIBFSA-N	-1	0	269.228	0.784	20	10		CCCDRM
CO[C@@H](C(=O)[O-])C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	ZINC001593923437	956103116	/nfs/dbraw/zinc/10/31/16/956103116.db2.gz	WGLJMDOPTDGMHP-WRWORJQWSA-N	-1	0	283.280	0.245	20	10		CCCDRM
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](C)C(=O)[O-]	ZINC001609903680	970599394	/nfs/dbraw/zinc/59/93/94/970599394.db2.gz	JAROCPAGGAFRNA-HTQZYQBOSA-N	-1	0	267.281	0.866	20	10		CCCDRM
CC(=O)C(=O)COC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC001589020937	985008602	/nfs/dbraw/zinc/00/86/02/985008602.db2.gz	HQIGISRTXWBGSY-UHFFFAOYSA-N	-1	0	295.203	0.608	20	10		CCCDRM
COc1ccc(O)c(CNC(=O)NC[C@H](F)C(=O)[O-])c1	ZINC001599598835	993785740	/nfs/dbraw/zinc/78/57/40/993785740.db2.gz	UZXYPSULHSFYIK-VIFPVBQESA-N	-1	0	286.259	0.623	20	10		CCCDRM
CNC(=O)C(C)(C)CNC(=O)c1c(F)ccc(O)c1O	ZINC000295538393	353902589	/nfs/dbraw/zinc/90/25/89/353902589.db2.gz	TYJWPOGZAWAVEM-UHFFFAOYSA-N	-1	0	284.287	0.739	20	10		CCCDRM
COC(=O)[C@H]1[C@@H](O)CCCN1C(=O)c1cccc(O)c1O	ZINC000275565285	389511539	/nfs/dbraw/zinc/51/15/39/389511539.db2.gz	NABCQJTXKCQPCT-GXSJLCMTSA-N	-1	0	295.291	0.236	20	10		CCCDRM
O=C(COC(=O)[C@H](O)C1CC1)c1ccc(O)c(O)c1	ZINC000783561577	581350274	/nfs/dbraw/zinc/35/02/74/581350274.db2.gz	RPIAFMYYSHPGHS-GFCCVEGCSA-N	-1	0	266.249	0.595	20	10		CCCDRM
CNC(=O)CN1CCCc2cc(CNC(=O)[O-])ccc21	ZINC000739739541	581607680	/nfs/dbraw/zinc/60/76/80/581607680.db2.gz	LGZQQEYBBHWQBZ-UHFFFAOYSA-N	-1	0	277.324	0.953	20	10		CCCDRM
O=C([O-])N1CC[C@H](NC(=O)NCc2ccccc2O)C1	ZINC000740450825	581683174	/nfs/dbraw/zinc/68/31/74/581683174.db2.gz	SMSQOGXUBWNPTD-JTQLQIEISA-N	-1	0	279.296	0.944	20	10		CCCDRM
COc1cc(O)c(CN2CCOC[C@H]2C(=O)[O-])cc1OC	ZINC000833728717	605243143	/nfs/dbraw/zinc/24/31/43/605243143.db2.gz	KDSPGUQJBNPUIS-JTQLQIEISA-N	-1	0	297.307	0.695	20	10		CCCDRM
O=C([O-])N1CSC[C@H]1C(=O)NCc1ccc(O)c(O)c1	ZINC000834049766	605546868	/nfs/dbraw/zinc/54/68/68/605546868.db2.gz	RDGRBEZIIXORBU-QMMMGPOBSA-N	-1	0	298.320	0.767	20	10		CCCDRM
COc1cccc(CNC(=O)NC2CN(C(=O)[O-])C2)c1O	ZINC000829560836	617298704	/nfs/dbraw/zinc/29/87/04/617298704.db2.gz	USFJOMKQXFJNKI-UHFFFAOYSA-N	-1	0	295.295	0.562	20	10		CCCDRM
CC(=O)C(=O)COC(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC000808541802	613658220	/nfs/dbraw/zinc/65/82/20/613658220.db2.gz	RQOUWRROBJWYAH-UHFFFAOYSA-N	-1	0	283.202	0.145	20	10		CCCDRM
CO[C@@](C)(C(=O)[O-])C(=O)NCc1ccc(N(C)C)c(F)c1	ZINC000852946369	616900631	/nfs/dbraw/zinc/90/06/31/616900631.db2.gz	QTXMRANOBWMHKS-CQSZACIVSA-N	-1	0	298.314	0.998	20	10		CCCDRM
COC[C@@](C)(NC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)[O-]	ZINC000833720973	617020141	/nfs/dbraw/zinc/02/01/41/617020141.db2.gz	IVNMWKZTHNIPNM-YVARQFDVSA-N	-1	0	295.291	0.717	20	10		CCCDRM
Nc1ccc(CC(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)cc1	ZINC000901036333	634160234	/nfs/dbraw/zinc/16/02/34/634160234.db2.gz	UDGOFYNONQFHRJ-LLVKDONJSA-N	-1	0	284.337	0.046	20	10		CCCDRM
COC(=O)[C@H]1C[C@@H](O)CN1Cc1cc(F)cc(F)c1[O-]	ZINC001184275518	844203608	/nfs/dbraw/zinc/20/36/08/844203608.db2.gz	ATBOFJFVFCJFAI-MWLCHTKSSA-N	-1	0	287.262	0.779	20	10		CCCDRM
COC(=O)CCCS(=O)(=O)Nc1cccc(O)c1O	ZINC001201912705	847834758	/nfs/dbraw/zinc/83/47/58/847834758.db2.gz	LFCDGRJEOTXYCS-UHFFFAOYSA-N	-1	0	289.309	0.793	20	10		CCCDRM
Cn1[n-]nnc1=NCCCSc1nccs1	ZINC000381628600	849779316	/nfs/dbraw/zinc/77/93/16/849779316.db2.gz	NTCCAWUAJAUNQL-UHFFFAOYSA-N	-1	0	256.360	0.683	20	10		CCCDRM
COc1cccc(CNC(=O)[C@@H](C)C(=O)[O-])c1O	ZINC001611066746	970876105	/nfs/dbraw/zinc/87/61/05/970876105.db2.gz	YENZKKUSFSERII-SSDOTTSWSA-N	-1	0	253.254	0.738	20	10		CCCDRM
CC(=O)C(=O)COC(=O)c1cccc(C(=O)[O-])c1	ZINC001602737881	971433141	/nfs/dbraw/zinc/43/31/41/971433141.db2.gz	YCHBWEBLYCRAMR-UHFFFAOYSA-N	-1	0	250.206	0.700	20	10		CCCDRM
O=C([O-])CCCNC(=O)C(=O)N1Cc2cccc(O)c2C1	ZINC001595048571	951457699	/nfs/dbraw/zinc/45/76/99/951457699.db2.gz	XOADSQUVBGUNRL-UHFFFAOYSA-N	-1	0	292.291	0.215	20	10		CCCDRM
Cc1ccc(CN2CCS(=O)(=O)C[C@H]2C(=O)[O-])c(O)c1	ZINC001594358561	958426077	/nfs/dbraw/zinc/42/60/77/958426077.db2.gz	INVGDCXJZYCMQI-NSHDSACASA-N	-1	0	299.348	0.384	20	10		CCCDRM
O=C([O-])/C=C\c1ccc(N2CCNC(=O)C2)c([N+](=O)[O-])c1	ZINC000206833841	959662133	/nfs/dbraw/zinc/66/21/33/959662133.db2.gz	JNJNIUIWQHFGND-RQOWECAXSA-N	-1	0	291.263	0.629	20	10		CCCDRM
O=C([O-])c1cc(C(=O)NCc2c(O)cccc2O)[nH]n1	ZINC001605793551	972509670	/nfs/dbraw/zinc/50/96/70/972509670.db2.gz	SORDVSJYZIKYOZ-UHFFFAOYSA-N	-1	0	277.236	0.449	20	10		CCCDRM
C[C@@H](O)[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])C(=O)[O-]	ZINC001332017365	961454865	/nfs/dbraw/zinc/45/48/65/961454865.db2.gz	KWXPRAHIEDXJAO-ANLVUFKYSA-N	-1	0	261.224	0.594	20	10		CCCDRM
CN(CCCC(=O)[O-])C(=O)Cc1ccc(O)c(O)c1	ZINC001604155457	972565055	/nfs/dbraw/zinc/56/50/55/972565055.db2.gz	QDJCLENHQDORND-UHFFFAOYSA-N	-1	0	267.281	0.964	20	10		CCCDRM
C[C@H](/C=C/C(=O)[O-])NC(=O)c1cccc(O)c1O	ZINC001592206622	977244359	/nfs/dbraw/zinc/24/43/59/977244359.db2.gz	UWBNVTVKIXTQJO-WEWAHIQMSA-N	-1	0	251.238	0.857	20	10		CCCDRM
C[C@@H](/C=C/C(=O)[O-])NC(=O)c1cccc(O)c1O	ZINC001592206623	977244463	/nfs/dbraw/zinc/24/44/63/977244463.db2.gz	UWBNVTVKIXTQJO-XPPMVYLVSA-N	-1	0	251.238	0.857	20	10		CCCDRM
C[C@@](O)(CNC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)[O-]	ZINC001593398755	995150570	/nfs/dbraw/zinc/15/05/70/995150570.db2.gz	FGUXPXMGFSCVGI-MASHWEEQSA-N	-1	0	281.264	0.063	20	10		CCCDRM
C[C@](O)(CNC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)[O-]	ZINC001593398752	995150756	/nfs/dbraw/zinc/15/07/56/995150756.db2.gz	FGUXPXMGFSCVGI-DXTPNHAXSA-N	-1	0	281.264	0.063	20	10		CCCDRM
COC(=O)[C@@H]1CN(C(=O)C2=CC(=O)CS2)C[C@H]1C(=O)[O-]	ZINC001598814315	996256889	/nfs/dbraw/zinc/25/68/89/996256889.db2.gz	CEYAAPLVXVDDCH-HTQZYQBOSA-N	-1	0	299.304	0.400	20	10		CCCDRM
COC(=O)CN(CC(=O)[O-])Cc1cccc(F)c1O	ZINC001598861703	996679955	/nfs/dbraw/zinc/67/99/55/996679955.db2.gz	MJBSMKPPRNPMMK-UHFFFAOYSA-N	-1	0	271.244	0.591	20	10		CCCDRM
COCC[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)[O-]	ZINC001599215307	997571997	/nfs/dbraw/zinc/57/19/97/997571997.db2.gz	KBOAZRPOMUZBCF-TZGMSPROSA-N	-1	0	295.291	0.717	20	10		CCCDRM
COCC[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)[O-]	ZINC001599215304	997572173	/nfs/dbraw/zinc/57/21/73/997572173.db2.gz	KBOAZRPOMUZBCF-ATPLWMGHSA-N	-1	0	295.291	0.717	20	10		CCCDRM
CCOCCS(=O)(=O)Nc1ccc(O)c(C(=O)[O-])c1	ZINC000063153578	520058846	/nfs/dbraw/zinc/05/88/46/520058846.db2.gz	YCYXYWSYQSVMAG-UHFFFAOYSA-N	-1	0	289.309	0.869	20	10		CCCDRM
O=C([O-])[C@]1([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])CCOC1	ZINC000789901902	581161343	/nfs/dbraw/zinc/16/13/43/581161343.db2.gz	GXQGEDMNKORHRA-LBPRGKRZSA-N	-1	0	282.252	0.634	20	10		CCCDRM
C[C@@H](NCc1nnn(C)n1)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000787034494	581456228	/nfs/dbraw/zinc/45/62/28/581456228.db2.gz	ZECKTYTWEYUBED-SSDOTTSWSA-N	-1	0	278.272	0.675	20	10		CCCDRM
C[C@H](OC(=O)C1=CC(=O)CS1)C(=O)NCC(=O)[O-]	ZINC000736691330	581819976	/nfs/dbraw/zinc/81/99/76/581819976.db2.gz	QWZKIVZTAVLSRT-YFKPBYRVSA-N	-1	0	273.266	0.200	20	10		CCCDRM
Cn1ccc(S(=O)(=O)[N-]c2ccc(O)cc2)n1	ZINC000776744750	582088442	/nfs/dbraw/zinc/08/84/42/582088442.db2.gz	AEPSGOCWWUUQNJ-UHFFFAOYSA-N	-1	0	253.283	0.927	20	10		CCCDRM
O=C([O-])[C@H]1CN(Cc2cccc(F)c2O)CCO1	ZINC000821512763	598211509	/nfs/dbraw/zinc/21/15/09/598211509.db2.gz	NVXOIXVIXSKCAD-SNVBAGLBSA-N	-1	0	255.245	0.817	20	10		CCCDRM
COc1ccc(N(C)CCN(C)C(=O)C(=O)[O-])cc1	ZINC000844271481	617267141	/nfs/dbraw/zinc/26/71/41/617267141.db2.gz	OVKOMDWDFJNICB-UHFFFAOYSA-N	-1	0	266.297	0.674	20	10		CCCDRM
CCO[N-]C(=O)CNC(=O)N(C)Cc1ccccc1O	ZINC000845553678	615359169	/nfs/dbraw/zinc/35/91/69/615359169.db2.gz	WPDMJCHXPGDYGM-UHFFFAOYSA-N	-1	0	281.312	0.601	20	10		CCCDRM
CN(C(=O)c1cccc(O)c1O)[C@H]1CCS(=O)(=O)C1	ZINC000126270920	615904512	/nfs/dbraw/zinc/90/45/12/615904512.db2.gz	WLOOERJLLRMTRA-QMMMGPOBSA-N	-1	0	285.321	0.357	20	10		CCCDRM
CN(Cc1cnn(C)n1)c1ccc(OCC(=O)[O-])cc1	ZINC000846279453	616097731	/nfs/dbraw/zinc/09/77/31/616097731.db2.gz	FDRXPPUHYZBFNN-UHFFFAOYSA-N	-1	0	276.296	0.915	20	10		CCCDRM
C[C@H](C(=O)N(CC(=O)[O-])Cc1ccccc1O)[NH+](C)C	ZINC000911487141	636277380	/nfs/dbraw/zinc/27/73/80/636277380.db2.gz	BMEFLGQREWHOKT-SNVBAGLBSA-N	-1	0	280.324	0.756	20	10		CCCDRM
O=C([O-])CN(Cc1ccccc1O)C(=O)COC1CC1	ZINC000911492204	636277636	/nfs/dbraw/zinc/27/76/36/636277636.db2.gz	CGKQMJJIYWAYTI-UHFFFAOYSA-N	-1	0	279.292	0.984	20	10		CCCDRM
O=S1(=O)CCN(Cc2c(F)ccc(F)c2[O-])CC1	ZINC001139681477	799830274	/nfs/dbraw/zinc/83/02/74/799830274.db2.gz	RRLZCBFPXZYPOJ-UHFFFAOYSA-N	-1	0	277.292	0.901	20	10		CCCDRM
NC(=O)CN1CCN(Cc2c([O-])cc(F)cc2F)CC1	ZINC001140584525	799923352	/nfs/dbraw/zinc/92/33/52/799923352.db2.gz	VNCWYQJAOFTZIN-UHFFFAOYSA-N	-1	0	285.294	0.273	20	10		CCCDRM
O=C(CSc1n[nH]c(=O)[n-]1)NCc1cccc(O)c1O	ZINC001153798394	800668894	/nfs/dbraw/zinc/66/88/94/800668894.db2.gz	QUQVRRTUXKSBMO-UHFFFAOYSA-N	-1	0	296.308	0.330	20	10		CCCDRM
O=S(=O)([N-]c1ccc(O)cc1O)c1cn[nH]c1	ZINC001260953574	808886393	/nfs/dbraw/zinc/88/63/93/808886393.db2.gz	UQWAKPSJLIAVNC-UHFFFAOYSA-N	-1	0	255.255	0.622	20	10		CCCDRM
CN(C)C(=O)[C@@]12C[C@@H]1CN(C(=O)c1cc([O-])[nH]c(=O)c1)C2	ZINC001270175066	813662967	/nfs/dbraw/zinc/66/29/67/813662967.db2.gz	BJMLTHARMWMFSG-YMTOWFKASA-N	-1	0	291.307	0.043	20	10		CCCDRM
O=C(NCCC1COC1)c1cc(=O)n(-c2ccccc2)[n-]1	ZINC001147889999	840703291	/nfs/dbraw/zinc/70/32/91/840703291.db2.gz	WGXQNPGOTJXBFH-UHFFFAOYSA-N	-1	0	287.319	0.932	20	10		CCCDRM
O=C(NCC1OCCO1)c1cc(=O)n(-c2ccccc2)[n-]1	ZINC001147890110	840704203	/nfs/dbraw/zinc/70/42/03/840704203.db2.gz	YZUUCYTZZLFXKY-UHFFFAOYSA-N	-1	0	289.291	0.268	20	10		CCCDRM
Cc1cc(C)c(CNC(=O)Cn2nn[n-]c2=S)c(O)c1	ZINC001177744369	842666067	/nfs/dbraw/zinc/66/60/67/842666067.db2.gz	YGHUVXYQWRZQKW-UHFFFAOYSA-N	-1	0	293.352	0.601	20	10		CCCDRM
O=C(NCCn1ccnn1)c1cc(O)c([O-])c(Cl)c1	ZINC001193589274	846114541	/nfs/dbraw/zinc/11/45/41/846114541.db2.gz	GVEOCLILASKLIV-UHFFFAOYSA-N	-1	0	282.687	0.773	20	10		CCCDRM
O=C(NC[C@@H]1CNC(=O)C1)c1cc(O)c([O-])c(Cl)c1	ZINC001193625058	846129004	/nfs/dbraw/zinc/12/90/04/846129004.db2.gz	DPVJSFAJSPIMAE-LURJTMIESA-N	-1	0	284.699	0.617	20	10		CCCDRM
O=C(NCC(=O)c1ccc(O)c(O)c1)OCCF	ZINC001194984326	846434071	/nfs/dbraw/zinc/43/40/71/846434071.db2.gz	VNPJLLOYKOOKPE-UHFFFAOYSA-N	-1	0	257.217	0.976	20	10		CCCDRM
C[C@H](CN(C)C(=O)Cc1ccc(N)cc1)C(=O)[O-]	ZINC000386812336	853952085	/nfs/dbraw/zinc/95/20/85/853952085.db2.gz	QCUHZKLSZVBWHB-SECBINFHSA-N	-1	0	250.298	0.990	20	10		CCCDRM
O=C([O-])c1cc(C(=O)NCc2c(O)cccc2F)[nH]n1	ZINC001594767498	953536307	/nfs/dbraw/zinc/53/63/07/953536307.db2.gz	COIMDELKQOISFA-UHFFFAOYSA-N	-1	0	279.227	0.883	20	10		CCCDRM
CO[C@@H](C(=O)[O-])C(=O)NCc1cc(C)ccc1O	ZINC001593908273	955951223	/nfs/dbraw/zinc/95/12/23/955951223.db2.gz	GVRSXIBBJWVWKM-SNVBAGLBSA-N	-1	0	253.254	0.416	20	10		CCCDRM
CO[C@@H](C(=O)[O-])C(=O)NCc1ccc2cccnc2c1O	ZINC001593909233	955958550	/nfs/dbraw/zinc/95/85/50/955958550.db2.gz	SLVJTFIQKANFRH-GFCCVEGCSA-N	-1	0	290.275	0.656	20	10		CCCDRM
C[C@@](O)(C[NH2+]Cc1cc(F)c(F)cc1[O-])C(=O)[O-]	ZINC001589147190	956305088	/nfs/dbraw/zinc/30/50/88/956305088.db2.gz	QFKBTTHAZPWCNQ-LLVKDONJSA-N	-1	0	261.224	0.596	20	10		CCCDRM
COc1cc(NS(=O)(=O)CCC(=O)[O-])ccc1O	ZINC001599445044	997994641	/nfs/dbraw/zinc/99/46/41/997994641.db2.gz	WKVHEJSZVCTKKR-UHFFFAOYSA-N	-1	0	275.282	0.617	20	10		CCCDRM
O=C(COC(=O)[C@@H]1CCC(=O)NC1)c1ccc(O)c(O)c1	ZINC000783026875	581334133	/nfs/dbraw/zinc/33/41/33/581334133.db2.gz	HHRHTJOKCKEOJN-SECBINFHSA-N	-1	0	293.275	0.350	20	10		CCCDRM
COc1cccc(CNC(=O)CSCC(=O)[O-])c1O	ZINC000739947779	581637689	/nfs/dbraw/zinc/63/76/89/581637689.db2.gz	UEWJSGUMQDDEIY-UHFFFAOYSA-N	-1	0	285.321	0.835	20	10		CCCDRM
Cn1cccc1CNC(=S)NCCCC(=O)[O-]	ZINC000833058876	600995197	/nfs/dbraw/zinc/99/51/97/600995197.db2.gz	IZELSGFDYSNNHJ-UHFFFAOYSA-N	-1	0	255.343	0.854	20	10		CCCDRM
O=C([O-])[C@@H]1C[C@H]1C(=O)NCCc1ccc(O)c(O)c1	ZINC000833179607	604916231	/nfs/dbraw/zinc/91/62/31/604916231.db2.gz	SXBNFGTTXGXSOQ-RKDXNWHRSA-N	-1	0	265.265	0.477	20	10		CCCDRM
O=C([O-])NCCNC(=O)/C=C\c1ccc(O)c(O)c1	ZINC000834240867	605694919	/nfs/dbraw/zinc/69/49/19/605694919.db2.gz	NWZSVTBGXYXWLP-RQOWECAXSA-N	-1	0	266.253	0.495	20	10		CCCDRM
CC(C)NC(=O)[C@@H](C)NC(=O)c1c(F)ccc(O)c1O	ZINC000839902220	613931665	/nfs/dbraw/zinc/93/16/65/613931665.db2.gz	DLBIGKDBCHZYGD-SSDOTTSWSA-N	-1	0	284.287	0.880	20	10		CCCDRM
CN(C)c1ccc(CNC(=O)N2CC(C(=O)[O-])C2)cc1	ZINC000857097488	616014971	/nfs/dbraw/zinc/01/49/71/616014971.db2.gz	SIVVEFFRKCUGDK-UHFFFAOYSA-N	-1	0	277.324	0.979	20	10		CCCDRM
CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-]	ZINC000828400341	616170662	/nfs/dbraw/zinc/17/06/62/616170662.db2.gz	XLOSRYSUFRWXHH-MNOVXSKESA-N	-1	0	294.307	0.464	20	10		CCCDRM
COC[C@@](C)(NC(=O)c1ccc(C)c(O)c1O)C(=O)[O-]	ZINC000833721310	617022839	/nfs/dbraw/zinc/02/28/39/617022839.db2.gz	NPRWSWFUTPPJST-CYBMUJFWSA-N	-1	0	283.280	0.626	20	10		CCCDRM
O=C(c1cccc(O)c1O)N1CC[C@@H](O)[C@@H](F)C1	ZINC000890692095	624563284	/nfs/dbraw/zinc/56/32/84/624563284.db2.gz	SQOKUMOYQGMTHP-DTWKUNHWSA-N	-1	0	255.245	0.643	20	10		CCCDRM
O=C([O-])[C@@H]1CC[C@H](C(=O)NCc2ccccc2O)O1	ZINC000222831894	624887288	/nfs/dbraw/zinc/88/72/88/624887288.db2.gz	BETQSEAXZFLLOT-MNOVXSKESA-N	-1	0	265.265	0.641	20	10		CCCDRM
O=C1NC(=O)C2(CN(Cc3cccc(Cl)c3[O-])C2)N1	ZINC000897904783	633254376	/nfs/dbraw/zinc/25/43/76/633254376.db2.gz	BWPYGDSDZXOMLT-UHFFFAOYSA-N	-1	0	281.699	0.439	20	10		CCCDRM
O=C([O-])CN(Cc1ccccc1O)C(=O)[C@H]1[C@@H]2COC[C@@H]21	ZINC000911492819	636278368	/nfs/dbraw/zinc/27/83/68/636278368.db2.gz	JPSGZFOEMRLZIU-YABSGUDNSA-N	-1	0	291.303	0.698	20	10		CCCDRM
COc1ccc(CNC(=O)[C@@](C)(OC)C(=O)[O-])c(O)c1	ZINC000852942262	644060899	/nfs/dbraw/zinc/06/08/99/644060899.db2.gz	HINONYCMMWMSFC-CYBMUJFWSA-N	-1	0	283.280	0.507	20	10		CCCDRM
[O-]c1c(CN2CCO[C@H](CO)C2)ccc(F)c1F	ZINC000876724632	646650633	/nfs/dbraw/zinc/65/06/33/646650633.db2.gz	DEAQDQJBLDLGSX-VIFPVBQESA-N	-1	0	259.252	0.864	20	10		CCCDRM
Cn1[n-]nnc1=NCc1ccc(N2CCSCC2)cc1	ZINC000728293585	791013549	/nfs/dbraw/zinc/01/35/49/791013549.db2.gz	GCFBSIOJLUGEKW-UHFFFAOYSA-N	-1	0	290.396	0.797	20	10		CCCDRM
C[C@@H]1CN(Cc2ccc(C(=O)[O-])cc2O)CC(=O)N1	ZINC001231447205	805804677	/nfs/dbraw/zinc/80/46/77/805804677.db2.gz	PJXAOOYEMVKOLC-MRVPVSSYSA-N	-1	0	264.281	0.411	20	10		CCCDRM
C[C@H]1CN(Cc2cc(C(=O)[O-])ccc2O)CC(=O)N1	ZINC001231561668	805818111	/nfs/dbraw/zinc/81/81/11/805818111.db2.gz	XYLSQGOIEBQXFL-QMMMGPOBSA-N	-1	0	264.281	0.411	20	10		CCCDRM
Cc1cc(=O)oc2c1ccc([O-])c2CN1CCNC(=O)C1	ZINC001139126527	799783767	/nfs/dbraw/zinc/78/37/67/799783767.db2.gz	IQNFWMLYFSQXSB-UHFFFAOYSA-N	-1	0	288.303	0.739	20	10		CCCDRM
CS(=O)(=O)C1CN(Cc2c(F)ccc(F)c2[O-])C1	ZINC001139683575	799830419	/nfs/dbraw/zinc/83/04/19/799830419.db2.gz	MXWMWHXALKHYAR-UHFFFAOYSA-N	-1	0	277.292	0.899	20	10		CCCDRM
NC(=O)[C@H]1CN(Cc2c([O-])cc(F)cc2F)CCO1	ZINC001140583283	799923424	/nfs/dbraw/zinc/92/34/24/799923424.db2.gz	CTDVRTAZVMWZDF-LLVKDONJSA-N	-1	0	272.251	0.357	20	10		CCCDRM
O=C1COC[C@H]2CN(Cc3c([O-])cc(F)cc3F)CCN12	ZINC001140584572	799923615	/nfs/dbraw/zinc/92/36/15/799923615.db2.gz	WZJAGKOWCXVMEJ-SNVBAGLBSA-N	-1	0	298.289	0.713	20	10		CCCDRM
O=S(=O)(NCCO)c1cc(Cl)cc(Cl)c1[O-]	ZINC001251383801	807680321	/nfs/dbraw/zinc/68/03/21/807680321.db2.gz	IDUVZKYSDQVVIC-UHFFFAOYSA-N	-1	0	286.136	0.970	20	10		CCCDRM
COc1cc(O)ccc1[N-]S(=O)(=O)c1ccn(C)n1	ZINC001259944680	808816516	/nfs/dbraw/zinc/81/65/16/808816516.db2.gz	MBUACQKFBNWDGT-UHFFFAOYSA-N	-1	0	283.309	0.935	20	10		CCCDRM
CN1CC[C@@]2(CCCN2C(=O)c2cc([O-])[nH]c(=O)c2)C1=O	ZINC001269381820	813350176	/nfs/dbraw/zinc/35/01/76/813350176.db2.gz	VHYSZUGQFDBRCT-AWEZNQCLSA-N	-1	0	291.307	0.330	20	10		CCCDRM
CN1CC2(CN(Cc3cccc(F)c3O)C2)OCC1=O	ZINC001273305077	821591216	/nfs/dbraw/zinc/59/12/16/821591216.db2.gz	ZTUBRIFKLARPBM-UHFFFAOYSA-N	-1	0	280.299	0.574	20	10		CCCDRM
Cn1ncc(NC(=O)c2cc(=O)n(-c3ccccc3)[n-]2)n1	ZINC001147878760	840713775	/nfs/dbraw/zinc/71/37/75/840713775.db2.gz	RRQFQBNFWHZULM-UHFFFAOYSA-N	-1	0	284.279	0.547	20	10		CCCDRM
COC[C@@H](NC(=O)C1=CC(=O)CS1)c1nnn[n-]1	ZINC001177829091	842683781	/nfs/dbraw/zinc/68/37/81/842683781.db2.gz	VSCHQKCOIIGKQP-ZCFIWIBFSA-N	-1	0	269.286	0.084	20	10		CCCDRM
CO[N-]C(=O)CNC(=O)c1ccc(N=NC(N)=O)cc1	ZINC001179623713	843032022	/nfs/dbraw/zinc/03/20/22/843032022.db2.gz	SJDMXRULBBZSMF-UHFFFAOYSA-N	-1	0	279.256	0.256	20	10		CCCDRM
Cc1ncc(S(=O)(=O)[N-]c2cccc(O)c2O)n1C	ZINC001198398138	847113247	/nfs/dbraw/zinc/11/32/47/847113247.db2.gz	CIOYUMUQXLKAOT-UHFFFAOYSA-N	-1	0	283.309	0.941	20	10		CCCDRM
Cc1ccc(O)c(CN2CCOC[C@H]2C(=O)[O-])c1	ZINC000088381764	958054386	/nfs/dbraw/zinc/05/43/86/958054386.db2.gz	VIAZYMHBXODCMP-NSHDSACASA-N	-1	0	251.282	0.986	20	10		CCCDRM
O=C([O-])[C@H]1CN(C(=O)c2cccc(O)c2O)CCO1	ZINC000126013451	967621866	/nfs/dbraw/zinc/62/18/66/967621866.db2.gz	OQJPFRAKQQUFGU-SECBINFHSA-N	-1	0	267.237	0.023	20	10		CCCDRM
CN(Cc1ccccc1O)C(=O)[C@@H]1CC(C(=O)[O-])=NO1	ZINC001604189751	972623177	/nfs/dbraw/zinc/62/31/77/972623177.db2.gz	IEHRUIWDWOMKOM-NSHDSACASA-N	-1	0	278.264	0.580	20	10		CCCDRM
COCC[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)[O-]	ZINC001599215305	997571776	/nfs/dbraw/zinc/57/17/76/997571776.db2.gz	KBOAZRPOMUZBCF-GFAPAMAISA-N	-1	0	295.291	0.717	20	10		CCCDRM
CNS(=O)(=O)NCc1cccc(Br)c1O	ZINC000285813103	353561701	/nfs/dbraw/zinc/56/17/01/353561701.db2.gz	ZIAYFMPCTAXJJW-UHFFFAOYSA-N	-1	0	295.158	0.709	20	10		CCCDRM
O=C(C=Cc1ccc(O)c(O)c1)NCc1n[nH]c(=O)[n-]1	ZINC000779530121	581189056	/nfs/dbraw/zinc/18/90/56/581189056.db2.gz	HPHONJRDXOLHDV-RQOWECAXSA-N	-1	0	276.252	0.251	20	10		CCCDRM
COCCO[N-]C(=O)C(=O)NCc1ccc(N(C)C)cc1	ZINC000785422976	581408980	/nfs/dbraw/zinc/40/89/80/581408980.db2.gz	SEWBFYSTQDJQID-UHFFFAOYSA-N	-1	0	295.339	0.063	20	10		CCCDRM
COc1cccc(CNC(=O)[C@H](C)NC(=O)[O-])c1O	ZINC000739944030	581637672	/nfs/dbraw/zinc/63/76/72/581637672.db2.gz	IIFVRRYLZNOJFI-ZETCQYMHSA-N	-1	0	268.269	0.673	20	10		CCCDRM
Cc1n[nH]c(C(=O)NCCc2ccc(O)c(O)c2)c1[O-]	ZINC000762268611	581937400	/nfs/dbraw/zinc/93/74/00/581937400.db2.gz	OGOSWBJKCRZVPV-UHFFFAOYSA-N	-1	0	277.280	0.807	20	10		CCCDRM
O=C([O-])[C@@H]1CN(Cc2cc3c(cc2O)OC[C@H]3O)CCO1	ZINC000821513614	598098289	/nfs/dbraw/zinc/09/82/89/598098289.db2.gz	ZIERAWPWUAXDOD-YPMHNXCESA-N	-1	0	295.291	0.103	20	10		CCCDRM
COc1ccc(O)c([C@H](C)NC(=O)COCC(=O)[O-])c1	ZINC000843329234	617273959	/nfs/dbraw/zinc/27/39/59/617273959.db2.gz	ZYOMZYRNWMUXSI-QMMMGPOBSA-N	-1	0	283.280	0.679	20	10		CCCDRM
CN(C)c1ccc2c(c1)OCCN2C(=O)COCC(=O)[O-]	ZINC000844251219	616020196	/nfs/dbraw/zinc/02/01/96/616020196.db2.gz	DSWAIKJQWBCAOP-UHFFFAOYSA-N	-1	0	294.307	0.579	20	10		CCCDRM
CN1CCCc2cc(CNC(=O)COCC(=O)[O-])ccc21	ZINC000844245593	616219811	/nfs/dbraw/zinc/21/98/11/616219811.db2.gz	MTFCMCUXEQGSBG-UHFFFAOYSA-N	-1	0	292.335	0.786	20	10		CCCDRM
CN1CC[C@H]1CNC(=O)c1c(F)ccc(O)c1O	ZINC000900666218	616430253	/nfs/dbraw/zinc/43/02/53/616430253.db2.gz	FQPIDLHRAYBPRH-ZETCQYMHSA-N	-1	0	254.261	0.671	20	10		CCCDRM
COCCS(=O)(=O)[N-]N=c1[nH]c2cccnc2s1	ZINC000857225687	616611915	/nfs/dbraw/zinc/61/19/15/616611915.db2.gz	QELYDYILCJHHGE-UHFFFAOYSA-N	-1	0	288.354	0.584	20	10		CCCDRM
COCCN(CC(=O)[O-])Cc1cc2c(cc1O)OCO2	ZINC000820723446	616984078	/nfs/dbraw/zinc/98/40/78/616984078.db2.gz	FGGNQTOYDSSRFW-UHFFFAOYSA-N	-1	0	283.280	0.654	20	10		CCCDRM
COCCN(Cc1cc(F)cc(F)c1[O-])[C@@H](C)C(N)=O	ZINC000894006895	617026820	/nfs/dbraw/zinc/02/68/20/617026820.db2.gz	YZAWTKDZZQHNRF-QMMMGPOBSA-N	-1	0	288.294	0.993	20	10		CCCDRM
CO[N-]C(=O)C[NH2+]Cc1cc(Cl)cc(F)c1[O-]	ZINC000896927660	617117528	/nfs/dbraw/zinc/11/75/28/617117528.db2.gz	SUGYLIYDMABKRB-UHFFFAOYSA-N	-1	0	262.668	0.952	20	10		CCCDRM
Cn1cnc(S(=O)(=O)[N-]c2ccc(O)cc2)c1	ZINC000052096413	622860549	/nfs/dbraw/zinc/86/05/49/622860549.db2.gz	HGIKQJNVGCLELU-UHFFFAOYSA-N	-1	0	253.283	0.927	20	10		CCCDRM
O=C(N=S1(=O)CCOCC1)c1cccc(O)c1[O-]	ZINC000891366366	624836374	/nfs/dbraw/zinc/83/63/74/624836374.db2.gz	BANUZPCZZPQFBE-UHFFFAOYSA-N	-1	0	271.294	0.736	20	10		CCCDRM
[O-]c1c(CN2CCn3nnc(CO)c3C2)ccc(F)c1F	ZINC000894807992	631832158	/nfs/dbraw/zinc/83/21/58/631832158.db2.gz	DUAXDEQBJNLFSZ-UHFFFAOYSA-N	-1	0	296.277	0.770	20	10		CCCDRM
O=C(N[C@H]1CC12CC(O)C2)c1c(F)ccc(O)c1O	ZINC000900767286	634083991	/nfs/dbraw/zinc/08/39/91/634083991.db2.gz	QLZAZLQOGPIPCT-UNWJSIQESA-N	-1	0	267.256	0.880	20	10		CCCDRM
Cn1nccc1S(=O)(=O)[N-]c1ccc(O)cc1	ZINC000128209071	647158379	/nfs/dbraw/zinc/15/83/79/647158379.db2.gz	ZOUZBGANTFNGGP-UHFFFAOYSA-N	-1	0	253.283	0.927	20	10		CCCDRM
O=C([O-])c1ccc(O)c(CN2CC(N3CC(F)C3)C2)c1	ZINC001231560706	805816511	/nfs/dbraw/zinc/81/65/11/805816511.db2.gz	OYPGIADMIVFQAG-UHFFFAOYSA-N	-1	0	280.299	0.928	20	10		CCCDRM
Oc1ccc(F)c(F)c1CN1CCOC[C@@H](O)C1	ZINC001233332172	806042438	/nfs/dbraw/zinc/04/24/38/806042438.db2.gz	BFAPMWIHYFDWGB-QMMMGPOBSA-N	-1	0	259.252	0.864	20	10		CCCDRM
Cn1[n-]nnc1=Nc1ccc(OC(F)(F)F)cc1O	ZINC001214386800	803738380	/nfs/dbraw/zinc/73/83/80/803738380.db2.gz	MPFGADFXSYLIIY-UHFFFAOYSA-N	-1	0	275.190	0.980	20	10		CCCDRM
CCc1c(C)sc([N-]S(N)(=O)=O)c1C(N)=O	ZINC001260074758	808840942	/nfs/dbraw/zinc/84/09/42/808840942.db2.gz	MPDSJRZHVZMSCB-UHFFFAOYSA-N	-1	0	263.344	0.333	20	10		CCCDRM
O=C(N[C@@H]1CCC[C@@H]1O)c1cc(=O)n(-c2ccccc2)[n-]1	ZINC001147889782	840704828	/nfs/dbraw/zinc/70/48/28/840704828.db2.gz	QKYYYWCJXOYXBE-YPMHNXCESA-N	-1	0	287.319	0.809	20	10		CCCDRM
O=C(N[C@@H]1SC(=O)[N-]C1=O)c1cccc(O)c1O	ZINC001148220183	840766957	/nfs/dbraw/zinc/76/69/57/840766957.db2.gz	WOWUKIVSNINMDE-SECBINFHSA-N	-1	0	268.250	0.137	20	10		CCCDRM
COc1cc(C(=O)N[C@@H]2SC(=O)[N-]C2=O)cc(O)c1O	ZINC001193114140	845982884	/nfs/dbraw/zinc/98/28/84/845982884.db2.gz	MPPNMESKLKNGNL-SNVBAGLBSA-N	-1	0	298.276	0.145	20	10		CCCDRM
Cc1cccc(CN2CCS(=O)(=O)C[C@@H]2C(=O)[O-])c1O	ZINC001611199033	970933065	/nfs/dbraw/zinc/93/30/65/970933065.db2.gz	SATRMSBLZDEJBS-LLVKDONJSA-N	-1	0	299.348	0.384	20	10		CCCDRM
Nc1ccc(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)cc1	ZINC000381449027	971760364	/nfs/dbraw/zinc/76/03/64/971760364.db2.gz	PHWAGXJCQZWUIN-ZJUUUORDSA-N	-1	0	250.254	0.840	20	10		CCCDRM
O=C([O-])C1(C(=O)NCc2c(O)cccc2O)CCOCC1	ZINC001594863129	954294219	/nfs/dbraw/zinc/29/42/19/954294219.db2.gz	UVZSADIYINZSFL-UHFFFAOYSA-N	-1	0	295.291	0.595	20	10		CCCDRM
O=C([O-])C[C@@H]1C(=O)NCCN1Cc1cc(Cl)ccc1O	ZINC000086815124	957995338	/nfs/dbraw/zinc/99/53/38/957995338.db2.gz	FVGUTEZMCKMWMP-SNVBAGLBSA-N	-1	0	298.726	0.821	20	10		CCCDRM
COc1ccc(CNC(=O)[C@@]2(C(=O)[O-])CCCO2)c(O)c1	ZINC001594093916	958381827	/nfs/dbraw/zinc/38/18/27/958381827.db2.gz	AIFYIYJEAQJTBS-CQSZACIVSA-N	-1	0	295.291	0.651	20	10		CCCDRM
O=C([O-])C1(CNC(=O)c2cccc(O)c2O)CC1	ZINC000126075631	958579717	/nfs/dbraw/zinc/57/97/17/958579717.db2.gz	URFSNZGDCDVXCZ-UHFFFAOYSA-N	-1	0	251.238	0.692	20	10		CCCDRM
C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NCc1c(O)cccc1O	ZINC001574281877	960648241	/nfs/dbraw/zinc/64/82/41/960648241.db2.gz	DPXLUNPTFXHFCF-UHLUBPPHSA-N	-1	0	265.265	0.825	20	10		CCCDRM
CC(=O)N[C@@H](CSc1ncc([N+](=O)[O-])s1)C(=O)[O-]	ZINC000300446029	963008593	/nfs/dbraw/zinc/00/85/93/963008593.db2.gz	MCLATNAKCXRGAY-YFKPBYRVSA-N	-1	0	291.310	0.733	20	10		CCCDRM
O=C(NC[C@H]1CC[C@@H](CO)O1)c1c(F)ccc(O)c1O	ZINC000295214620	388994931	/nfs/dbraw/zinc/99/49/31/388994931.db2.gz	AIISVUZEVDFARD-SFYZADRCSA-N	-1	0	285.271	0.507	20	10		CCCDRM
C[C@@H](O)CN1CCN(C(=O)C2=CC(=O)CS2)CC1	ZINC000732287845	581817629	/nfs/dbraw/zinc/81/76/29/581817629.db2.gz	CEAGHWNMCZPXTH-SECBINFHSA-N	-1	0	270.354	0.592	20	10		CCCDRM
C[C@@H](OC(=O)C1=CC(=O)CS1)C(=O)NCC(=O)[O-]	ZINC000736691329	581819968	/nfs/dbraw/zinc/81/99/68/581819968.db2.gz	QWZKIVZTAVLSRT-RXMQYKEDSA-N	-1	0	273.266	0.200	20	10		CCCDRM
Cn1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)n1	ZINC000773151731	581911096	/nfs/dbraw/zinc/91/10/96/581911096.db2.gz	AUFFBDLYBSCPLF-XFXZXTDPSA-N	-1	0	268.276	0.882	20	10		CCCDRM
Cc1ccc(C(=O)N2CCO[C@H](C(=O)[O-])C2)c(O)c1O	ZINC000821063784	597669072	/nfs/dbraw/zinc/66/90/72/597669072.db2.gz	DMGUAVWGCXUOAX-VIFPVBQESA-N	-1	0	281.264	0.332	20	10		CCCDRM
O=C([O-])/C=C\c1ccc(N2C[C@@H](O)[C@@H](O)C2)c([N+](=O)[O-])c1	ZINC000833195197	601350850	/nfs/dbraw/zinc/35/08/50/601350850.db2.gz	CVOJSDCYDFGBIX-AGQFFEFTSA-N	-1	0	294.263	0.234	20	10		CCCDRM
COc1ccc(O)c(CNC(=O)C2(NC(=O)[O-])CC2)c1	ZINC000829483046	617273011	/nfs/dbraw/zinc/27/30/11/617273011.db2.gz	CSKQJJMAXGTPSI-UHFFFAOYSA-N	-1	0	280.280	0.817	20	10		CCCDRM
COCCOCC(=O)N(CC(=O)[O-])Cc1ccccc1O	ZINC000911485272	616526636	/nfs/dbraw/zinc/52/66/36/616526636.db2.gz	UVTHDWFFFSWPFQ-UHFFFAOYSA-N	-1	0	297.307	0.468	20	10		CCCDRM
CO[C@H](C)C(=O)N(CC(=O)[O-])Cc1ccccc1O	ZINC000911486136	617007131	/nfs/dbraw/zinc/00/71/31/617007131.db2.gz	MLOVKJBOXDGOQZ-SECBINFHSA-N	-1	0	267.281	0.840	20	10		CCCDRM
Cn1ncnc1C1(O)CN(Cc2cc(F)cc(F)c2[O-])C1	ZINC000895616682	632111597	/nfs/dbraw/zinc/11/15/97/632111597.db2.gz	MGANJYHQHOJODR-UHFFFAOYSA-N	-1	0	296.277	0.502	20	10		CCCDRM
Nc1ccc(CC(=O)NCCCc2n[nH]c(=O)[n-]2)cc1	ZINC000830844254	642298309	/nfs/dbraw/zinc/29/83/09/642298309.db2.gz	ZQOQTUUKNJUUHG-UHFFFAOYSA-N	-1	0	275.312	0.384	20	10		CCCDRM
Cc1cc(N(C)C)ccc1CNC(=O)COCC(=O)[O-]	ZINC000844253597	643192678	/nfs/dbraw/zinc/19/26/78/643192678.db2.gz	CTCTWCQTABIMEL-UHFFFAOYSA-N	-1	0	280.324	0.778	20	10		CCCDRM
Cc1cc(N(C)C)ccc1CNC(=O)c1nc(=O)[nH][n-]1	ZINC000115725994	644582418	/nfs/dbraw/zinc/58/24/18/644582418.db2.gz	SFPWAPJIWITMLC-UHFFFAOYSA-N	-1	0	275.312	0.402	20	10		CCCDRM
COC(=O)[C@@H]1COCCN1Cc1ccc(C(=O)[O-])cc1O	ZINC001231454790	805805663	/nfs/dbraw/zinc/80/56/63/805805663.db2.gz	JGIIVYLZINYWAE-NSHDSACASA-N	-1	0	295.291	0.464	20	10		CCCDRM
C[C@@H]1CN(Cc2cc(C(=O)[O-])ccc2O)CC(=O)N1	ZINC001231561667	805816920	/nfs/dbraw/zinc/81/69/20/805816920.db2.gz	XYLSQGOIEBQXFL-MRVPVSSYSA-N	-1	0	264.281	0.411	20	10		CCCDRM
O=C([O-])c1ccc(O)c(CN2C[C@@H](O)[C@@H](F)C2)c1	ZINC001231561332	805817478	/nfs/dbraw/zinc/81/74/78/805817478.db2.gz	SBYPTVNPDXVLIT-GXSJLCMTSA-N	-1	0	255.245	0.605	20	10		CCCDRM
Cn1nnnc1-c1ccc(C2=S=C(C(=O)[O-])C=C2)cn1	ZINC001240847390	806954391	/nfs/dbraw/zinc/95/43/91/806954391.db2.gz	UQQGKORSXNMDLP-UHFFFAOYSA-N	-1	0	287.304	0.353	20	10		CCCDRM
Cc1nc(S(=O)(=O)[N-]c2cccc(O)c2O)cn1C	ZINC001260547474	808864700	/nfs/dbraw/zinc/86/47/00/808864700.db2.gz	RVOTYGKIOYGYJG-UHFFFAOYSA-N	-1	0	283.309	0.941	20	10		CCCDRM
CN1CC(NC(=O)c2cc(O)c([O-])c(Cl)c2)C1	ZINC001193624995	846127944	/nfs/dbraw/zinc/12/79/44/846127944.db2.gz	CLLXHVWSHMTSMP-UHFFFAOYSA-N	-1	0	256.689	0.795	20	10		CCCDRM
O=C([O-])C[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)C(=O)[O-]	ZINC001119550318	856733377	/nfs/dbraw/zinc/73/33/77/856733377.db2.gz	DZRWQMOLXPPKJN-LLVKDONJSA-N	-1	0	279.292	0.887	20	10		CCCDRM
C[C@H](NC(=O)CCc1nnn[n-]1)c1ccccc1O	ZINC001302538031	908029190	/nfs/dbraw/zinc/02/91/90/908029190.db2.gz	DQPYVVRHIRMITO-QMMMGPOBSA-N	-1	0	261.285	0.715	20	10		CCCDRM
O=C(NCc1c(O)cccc1O)c1c[n-]ncc1=O	ZINC001304053445	908136113	/nfs/dbraw/zinc/13/61/13/908136113.db2.gz	LDSUOYKTCBHBOW-UHFFFAOYSA-N	-1	0	261.237	0.523	20	10		CCCDRM
O=C([O-])[C@@H]1CCCN(C(=O)Cc2ccc(O)c(O)c2)C1	ZINC001595164126	952201204	/nfs/dbraw/zinc/20/12/04/952201204.db2.gz	LDTTYIVLMIQMKD-SNVBAGLBSA-N	-1	0	279.292	0.964	20	10		CCCDRM
O=C([O-])C1(C(=O)NCc2cc(O)ccc2O)CCOCC1	ZINC001594862769	954287421	/nfs/dbraw/zinc/28/74/21/954287421.db2.gz	KPUFRRRMQDXAGL-UHFFFAOYSA-N	-1	0	295.291	0.595	20	10		CCCDRM
O=C([O-])c1cc(NC(=O)Cc2ccc(O)c(O)c2)[nH]n1	ZINC001594707957	956856389	/nfs/dbraw/zinc/85/63/89/956856389.db2.gz	XRNVIIPDWXPCTQ-UHFFFAOYSA-N	-1	0	277.236	0.700	20	10		CCCDRM
CC(=O)C(=O)COC(=O)c1ccc(OCC(=O)[O-])cc1	ZINC001588485716	958605317	/nfs/dbraw/zinc/60/53/17/958605317.db2.gz	HAEDWABTBAZYCK-UHFFFAOYSA-N	-1	0	280.232	0.465	20	10		CCCDRM
O=C([O-])c1cn(C2CN(Cc3cc(F)ccc3O)C2)nn1	ZINC000236479759	960665821	/nfs/dbraw/zinc/66/58/21/960665821.db2.gz	WGQBZCZMUCURNT-UHFFFAOYSA-N	-1	0	292.270	0.878	20	10		CCCDRM
CCNC(=O)COc1ccc(N(C)C)c(C(=O)[O-])c1	ZINC001596464731	984185724	/nfs/dbraw/zinc/18/57/24/984185724.db2.gz	ROVVUJISZQQNAE-UHFFFAOYSA-N	-1	0	266.297	0.966	20	10		CCCDRM
C[C@@H]1CN(C(=O)NCc2ccc(N)cc2)C[C@@H](C(=O)[O-])O1	ZINC001599855884	989086499	/nfs/dbraw/zinc/08/64/99/989086499.db2.gz	CFIWXTYWSWJQNF-SKDRFNHKSA-N	-1	0	293.323	0.652	20	10		CCCDRM
C[C@H](O)C(=O)N1CCN(Cc2cc(F)ccc2O)CC1	ZINC000180209822	389667160	/nfs/dbraw/zinc/66/71/60/389667160.db2.gz	FEFUSPZHJSSQQQ-JTQLQIEISA-N	-1	0	282.315	0.556	20	10		CCCDRM
CC[C@H](NC(=O)c1cccc(O)c1O)C(=O)OC	ZINC000275085572	330109053	/nfs/dbraw/zinc/10/90/53/330109053.db2.gz	FTPPIJNXENRQKS-QMMMGPOBSA-N	-1	0	253.254	0.779	20	10		CCCDRM
O=C(NCCc1nc(=O)o[n-]1)C1=CC(=O)CS1	ZINC000790992672	581204229	/nfs/dbraw/zinc/20/42/29/581204229.db2.gz	QMJWQENBZGRLLZ-UHFFFAOYSA-N	-1	0	255.255	0.103	20	10		CCCDRM
COc1ccc(O)c(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])c1	ZINC000738043919	581243436	/nfs/dbraw/zinc/24/34/36/581243436.db2.gz	ILJRXYFJNFTANC-UWVGGRQHSA-N	-1	0	265.265	0.738	20	10		CCCDRM
Cc1ccc(C(=O)O[C@@H](C)C(=O)NCC(=O)[O-])c(O)c1O	ZINC000738546233	582060890	/nfs/dbraw/zinc/06/08/90/582060890.db2.gz	OLLGPHHAJXLRBT-ZETCQYMHSA-N	-1	0	297.263	0.152	20	10		CCCDRM
CN1CC[C@H]([N@H+](C)Cc2cc3c(cc2O)OC[C@H]3O)C1=O	ZINC000768445892	582106691	/nfs/dbraw/zinc/10/66/91/582106691.db2.gz	KDDYSUSTFKRWQX-WCQYABFASA-N	-1	0	292.335	0.481	20	10		CCCDRM
O=C([O-])N1CCO[C@H](CC(=O)NCc2ccccc2O)C1	ZINC000831389172	605285950	/nfs/dbraw/zinc/28/59/50/605285950.db2.gz	ZQJHGPZYKAKFSK-LLVKDONJSA-N	-1	0	294.307	0.777	20	10		CCCDRM
O=C([O-])N(CC(=O)NCc1ccc(O)c(O)c1)C1CC1	ZINC000833998109	605546928	/nfs/dbraw/zinc/54/69/28/605546928.db2.gz	NCQPOZIPIAGIKD-UHFFFAOYSA-N	-1	0	280.280	0.856	20	10		CCCDRM
CN(Cc1ccccc1O)C(=O)CCc1nnn[n-]1	ZINC000866597335	616170758	/nfs/dbraw/zinc/17/07/58/616170758.db2.gz	QVALTPKAMBVKCR-UHFFFAOYSA-N	-1	0	261.285	0.497	20	10		CCCDRM
CO[N-]C(=O)CNC(=O)NCc1ccc(N(C)C)cc1	ZINC000913926492	617113643	/nfs/dbraw/zinc/11/36/43/617113643.db2.gz	DWFNQQAJVLCVPX-UHFFFAOYSA-N	-1	0	280.328	0.229	20	10		CCCDRM
C[C@@H]1C[C@H](C(=O)NCc2ccccc2O)O[C@H]1C(=O)[O-]	ZINC000911327890	636225574	/nfs/dbraw/zinc/22/55/74/636225574.db2.gz	GCWWPEFWIBKKPT-GGZOMVNGSA-N	-1	0	279.292	0.887	20	10		CCCDRM
O=C([O-])COCCNC(=O)N1Cc2cccc(O)c2C1	ZINC000874409252	646454729	/nfs/dbraw/zinc/45/47/29/646454729.db2.gz	XVXLWJJRGLPINE-UHFFFAOYSA-N	-1	0	280.280	0.519	20	10		CCCDRM
NC(=O)[C@H]1CN(Cc2ccc(F)c(F)c2[O-])CCO1	ZINC000876657395	646639434	/nfs/dbraw/zinc/63/94/34/646639434.db2.gz	GBPZZDMNPIIDKL-SECBINFHSA-N	-1	0	272.251	0.357	20	10		CCCDRM
CCN1C(=O)CN(Cc2cc(C(=O)[O-])ccc2O)CC1=O	ZINC001231560399	805816677	/nfs/dbraw/zinc/81/66/77/805816677.db2.gz	IMMPBEQFICYJIS-UHFFFAOYSA-N	-1	0	292.291	0.281	20	10		CCCDRM
CC(=O)OC1CN(Cc2cc(C(=O)[O-])ccc2O)C1	ZINC001231563723	805817382	/nfs/dbraw/zinc/81/73/82/805817382.db2.gz	KPMXERYDCFDHQK-UHFFFAOYSA-N	-1	0	265.265	0.838	20	10		CCCDRM
O=C1COC[C@@H]2CN(Cc3c(F)ccc(F)c3[O-])CCN12	ZINC001139685955	799830456	/nfs/dbraw/zinc/83/04/56/799830456.db2.gz	HGDWACNWPPJDTN-VIFPVBQESA-N	-1	0	298.289	0.713	20	10		CCCDRM
Cn1[n-]nnc1=Nc1cc(OC(F)(F)F)ccc1O	ZINC001214373468	803737195	/nfs/dbraw/zinc/73/71/95/803737195.db2.gz	SLJWJZPIPBAILB-UHFFFAOYSA-N	-1	0	275.190	0.980	20	10		CCCDRM
CN(C)S(=O)(=O)[N-]c1sc2c(c1C(N)=O)CCC2	ZINC001251051223	807657545	/nfs/dbraw/zinc/65/75/45/807657545.db2.gz	DKCLPMITJTVULQ-UHFFFAOYSA-N	-1	0	289.382	0.554	20	10		CCCDRM
CN(C)C(=O)[C@H]1CC12CN(C(=O)c1cc([O-])[nH]c(=O)c1)C2	ZINC001270175695	813662700	/nfs/dbraw/zinc/66/27/00/813662700.db2.gz	HTDGIICVLFEYJB-SECBINFHSA-N	-1	0	291.307	0.043	20	10		CCCDRM
COC(=O)CCS(=O)(=O)[N-]c1cccc(O)c1O	ZINC001188392381	844878958	/nfs/dbraw/zinc/87/89/58/844878958.db2.gz	HBHXXBSLJRJFFW-UHFFFAOYSA-N	-1	0	275.282	0.403	20	10		CCCDRM
O=C([O-])[C@H]1CCN(C(=O)c2c(F)ccc(O)c2O)C1	ZINC001594925564	954813791	/nfs/dbraw/zinc/81/37/91/954813791.db2.gz	OPYVEPNEIDVHAN-LURJTMIESA-N	-1	0	269.228	0.784	20	10		CCCDRM
CO[C@H](C(=O)[O-])C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	ZINC001593923434	956103374	/nfs/dbraw/zinc/10/33/74/956103374.db2.gz	WGLJMDOPTDGMHP-CPCISQLKSA-N	-1	0	283.280	0.245	20	10		CCCDRM
CON(C(=O)c1ccc(C)c(O)c1O)[C@@H](C)C(=O)[O-]	ZINC001594040199	957858932	/nfs/dbraw/zinc/85/89/32/957858932.db2.gz	UGBNLEUBTMFDJI-ZETCQYMHSA-N	-1	0	269.253	0.883	20	10		CCCDRM
Nc1ccc(CC(=O)N2CCO[C@H](CC(=O)[O-])C2)cc1	ZINC000091294052	958132291	/nfs/dbraw/zinc/13/22/91/958132291.db2.gz	FQLADTLLHFJZPS-GFCCVEGCSA-N	-1	0	278.308	0.513	20	10		CCCDRM
O=C([O-])[C@@H]1CN(C(=O)c2c(F)ccc(O)c2O)CCO1	ZINC001606041670	973146782	/nfs/dbraw/zinc/14/67/82/973146782.db2.gz	QIEKFIFCIIIFSC-QMMMGPOBSA-N	-1	0	285.227	0.163	20	10		CCCDRM
C[C@H](CC(=O)[O-])C(=O)NCc1ccc(O)c(O)c1	ZINC001592356542	977836671	/nfs/dbraw/zinc/83/66/71/977836671.db2.gz	PGFIZMDADJSYRU-SSDOTTSWSA-N	-1	0	253.254	0.825	20	10		CCCDRM
CCCN1CC(=O)N[C@@H]1c1cc(C(=O)[O-])ccc1O	ZINC001595897293	982946616	/nfs/dbraw/zinc/94/66/16/982946616.db2.gz	XYIWUPAHKSQLEY-LBPRGKRZSA-N	-1	0	264.281	0.931	20	10		CCCDRM
CN(C)c1ccc(C[NH2+]CC(=O)NCC(=O)[O-])cc1F	ZINC001598320667	991318446	/nfs/dbraw/zinc/31/84/46/991318446.db2.gz	LOLWJNOAVWCIIY-UHFFFAOYSA-N	-1	0	283.303	0.182	20	10		CCCDRM
O=C([O-])CCNC(=O)/C=C/c1ccc(O)c(O)c1	ZINC000096928429	185132299	/nfs/dbraw/zinc/13/22/99/185132299.db2.gz	WPBOFJOMOJATDP-DUXPYHPUSA-N	-1	0	251.238	0.702	20	10		CCCDRM
COc1ccc(O)c(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])c1	ZINC000738043917	581243308	/nfs/dbraw/zinc/24/33/08/581243308.db2.gz	ILJRXYFJNFTANC-NXEZZACHSA-N	-1	0	265.265	0.738	20	10		CCCDRM
O=C([O-])N[C@@H]1CCN(C(=O)C2=CC(=O)CS2)C1	ZINC000740586650	581374105	/nfs/dbraw/zinc/37/41/05/581374105.db2.gz	NVWMMVQCEDEEIL-ZCFIWIBFSA-N	-1	0	256.283	0.936	20	10		CCCDRM
C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)[O-]	ZINC000028713137	598220714	/nfs/dbraw/zinc/22/07/14/598220714.db2.gz	HTRLGQVZCDCTDC-OHCKJTPYSA-N	-1	0	251.238	0.700	20	10		CCCDRM
O=C([O-])N1CCN(Cc2cc3c(cc2O)OC[C@@H]3O)CC1	ZINC000834112716	605500391	/nfs/dbraw/zinc/50/03/91/605500391.db2.gz	HSVKIQVEFPRRSB-LBPRGKRZSA-N	-1	0	294.307	0.614	20	10		CCCDRM
COc1cccc(CNC(=O)NCCCNC(=O)[O-])c1O	ZINC000829558658	617298591	/nfs/dbraw/zinc/29/85/91/617298591.db2.gz	CHZTYHMJIFWFQH-UHFFFAOYSA-N	-1	0	297.311	0.858	20	10		CCCDRM
CCC[C@@H](O)[C@@H](CO)NC(=O)c1cccc(O)c1O	ZINC000839816776	615003718	/nfs/dbraw/zinc/00/37/18/615003718.db2.gz	JYQMANUTCPNRFB-NXEZZACHSA-N	-1	0	269.297	0.350	20	10		CCCDRM
CN1C(=O)C(=Cc2cccc(C(=O)[O-])c2)C(=O)N(C)C1=O	ZINC000113835342	616119619	/nfs/dbraw/zinc/11/96/19/616119619.db2.gz	QSHLRXYZBCKRQP-UHFFFAOYSA-N	-1	0	288.259	0.819	20	10		CCCDRM
NC(=O)[C@@H]1C[C@@H](O)CN1Cc1c([O-])ccc(Cl)c1F	ZINC000895368519	632068223	/nfs/dbraw/zinc/06/82/23/632068223.db2.gz	QXCPCNXARDYVKF-MUWHJKNJSA-N	-1	0	288.706	0.605	20	10		CCCDRM
Nc1ccc(CC(=O)NCC2(C(=O)[O-])CCOCC2)cc1	ZINC000166088871	635297284	/nfs/dbraw/zinc/29/72/84/635297284.db2.gz	MYRLNZOKVDWHDH-UHFFFAOYSA-N	-1	0	292.335	0.809	20	10		CCCDRM
NS(=O)(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000805135534	640351970	/nfs/dbraw/zinc/35/19/70/640351970.db2.gz	NGHGCQBFIKSFIF-UHFFFAOYSA-N	-1	0	271.125	0.992	20	10		CCCDRM
O=C1NC(=O)[C@@H]2C[N@H+](Cc3c([O-])ccc(Cl)c3F)C[C@H]12	ZINC000824893231	641851291	/nfs/dbraw/zinc/85/12/91/641851291.db2.gz	NTVMULLMVWQMGN-KNVOCYPGSA-N	-1	0	298.701	0.889	20	10		CCCDRM
Cc1cc(O)c(CN2CCNC(=O)[C@@H]2CC(=O)[O-])cc1C	ZINC000833747040	642541633	/nfs/dbraw/zinc/54/16/33/642541633.db2.gz	PHIIPMIBFQULRE-LBPRGKRZSA-N	-1	0	292.335	0.784	20	10		CCCDRM
NS(=O)(=O)[C@H]1CCN(Cc2ccc(F)c(F)c2[O-])C1	ZINC000877465300	646818525	/nfs/dbraw/zinc/81/85/25/646818525.db2.gz	SPZLKFONVFXDJB-QMMMGPOBSA-N	-1	0	292.307	0.533	20	10		CCCDRM
O=C([O-])c1ccc(CN2CCO[C@H](CO)C2)c(O)c1	ZINC001231447172	805802459	/nfs/dbraw/zinc/80/24/59/805802459.db2.gz	ORAAXDFBRSGKGE-NSHDSACASA-N	-1	0	267.281	0.284	20	10		CCCDRM
O=C([O-])c1ccc(O)c(CN2CCNC(=O)C2)c1	ZINC001231561291	805817129	/nfs/dbraw/zinc/81/71/29/805817129.db2.gz	ULZOFGUNJLMKGD-UHFFFAOYSA-N	-1	0	250.254	0.022	20	10		CCCDRM
Nc1ccc(CC(=O)N[C@H]2SC(=O)[N-]C2=O)cc1	ZINC001219904462	804443264	/nfs/dbraw/zinc/44/32/64/804443264.db2.gz	WTVHWRYXHIXHGX-JTQLQIEISA-N	-1	0	265.294	0.237	20	10		CCCDRM
O=C(CSc1n[nH]c(=O)[n-]1)NCc1c(O)cccc1O	ZINC001156886244	836723559	/nfs/dbraw/zinc/72/35/59/836723559.db2.gz	WXCDKRVTQNYSPY-UHFFFAOYSA-N	-1	0	296.308	0.330	20	10		CCCDRM
O=S(=O)([N-]c1cccc(O)c1O)c1ncc[nH]1	ZINC001190722740	845477797	/nfs/dbraw/zinc/47/77/97/845477797.db2.gz	ZALGCGPOTLKQJW-UHFFFAOYSA-N	-1	0	255.255	0.622	20	10		CCCDRM
CN(C[C@H](O)CO)C(=O)c1cc(O)c([O-])c(Cl)c1	ZINC001193604396	846137738	/nfs/dbraw/zinc/13/77/38/846137738.db2.gz	VXQFIALEOJXERY-ZETCQYMHSA-N	-1	0	275.688	0.176	20	10		CCCDRM
O=C([O-])[C@@H]1CCCN1C(=O)c1cccc(O)c1O	ZINC000125983494	949260035	/nfs/dbraw/zinc/26/00/35/949260035.db2.gz	SZIXXBPCHUOKDH-QMMMGPOBSA-N	-1	0	251.238	0.787	20	10		CCCDRM
O=C([O-])CCCC(=O)NCc1ccc(O)cc1O	ZINC001595025331	951343488	/nfs/dbraw/zinc/34/34/88/951343488.db2.gz	VITSWQTUTCGLQA-UHFFFAOYSA-N	-1	0	253.254	0.969	20	10		CCCDRM
O=C([O-])[C@H]1CCCN(C(=O)Cc2ccc(O)c(O)c2)C1	ZINC001595196217	952299779	/nfs/dbraw/zinc/29/97/79/952299779.db2.gz	LDTTYIVLMIQMKD-JTQLQIEISA-N	-1	0	279.292	0.964	20	10		CCCDRM
CC(C)[C@H](NC(=O)Cc1ccc(O)c(O)c1)C(=O)[O-]	ZINC001603094926	972167713	/nfs/dbraw/zinc/16/77/13/972167713.db2.gz	GKKIRWQGTIWVKL-LBPRGKRZSA-N	-1	0	267.281	0.866	20	10		CCCDRM
COc1ccc(CNC(=O)[C@H]2CC(C(=O)[O-])=NO2)c(O)c1	ZINC001594094661	958392794	/nfs/dbraw/zinc/39/27/94/958392794.db2.gz	QVDDDHYSRAFGNJ-LLVKDONJSA-N	-1	0	294.263	0.247	20	10		CCCDRM
COc1cccc(CNC(=O)[C@@](C)(OC)C(=O)[O-])c1O	ZINC001604862884	974103111	/nfs/dbraw/zinc/10/31/11/974103111.db2.gz	CKHGDFIRRZAKAP-CYBMUJFWSA-N	-1	0	283.280	0.507	20	10		CCCDRM
COC[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)[O-]	ZINC001599168337	998575461	/nfs/dbraw/zinc/57/54/61/998575461.db2.gz	YCEOTERLNNYOGW-AZVKUDOFSA-N	-1	0	281.264	0.327	20	10		CCCDRM
COC(=O)[C@@H](NCc1cc(F)ccc1O)[C@@H](C)O	ZINC000191014372	351743513	/nfs/dbraw/zinc/74/35/13/351743513.db2.gz	AXLOHNFQJXDPOQ-HQJQHLMTSA-N	-1	0	257.261	0.543	20	10		CCCDRM
CCN(C)S(=O)(=O)Nc1ccc([O-])c([N+](=O)[O-])c1	ZINC000274819293	520267263	/nfs/dbraw/zinc/26/72/63/520267263.db2.gz	RTMGUSHBRMRHQI-UHFFFAOYSA-N	-1	0	275.286	0.909	20	10		CCCDRM
O=C(CO)N1CCN(Cc2cc(Cl)ccc2O)CC1	ZINC000793595926	581303989	/nfs/dbraw/zinc/30/39/89/581303989.db2.gz	XAMZZDAWGGSPKF-UHFFFAOYSA-N	-1	0	284.743	0.682	20	10		CCCDRM
COc1cccc(O)c1CN1CCN(C(=O)CO)CC1	ZINC000793591345	581304146	/nfs/dbraw/zinc/30/41/46/581304146.db2.gz	GYWPPGSNPUBTSY-UHFFFAOYSA-N	-1	0	280.324	0.037	20	10		CCCDRM
Cn1nccc1/C=C1\C(=O)[N-]N(c2ccccc2)C1=O	ZINC000728697492	581367670	/nfs/dbraw/zinc/36/76/70/581367670.db2.gz	PGZKKUQMTLTFEB-FMIVXFBMSA-N	-1	0	268.276	0.882	20	10		CCCDRM
COCCS(=O)(=O)[N-]c1ccc(O)cc1C(C)=O	ZINC000766047426	581548292	/nfs/dbraw/zinc/54/82/92/581548292.db2.gz	HZVKVRSMQPKKSO-UHFFFAOYSA-N	-1	0	273.310	0.983	20	10		CCCDRM
COCCN(CC(=O)N(C)Cc1ccccc1O)C(=O)[O-]	ZINC000739818170	581623867	/nfs/dbraw/zinc/62/38/67/581623867.db2.gz	YCURQGYSVAVIMH-UHFFFAOYSA-N	-1	0	296.323	0.977	20	10		CCCDRM
COc1ccc(O)c(CNC(=O)NCCN(C)C(=O)[O-])c1	ZINC000739932408	581636264	/nfs/dbraw/zinc/63/62/64/581636264.db2.gz	RQVAIQRDYWTRQS-UHFFFAOYSA-N	-1	0	297.311	0.810	20	10		CCCDRM
O=C(NCc1ccccc1O)c1c[n-]n2c1nccc2=O	ZINC000774063660	581956284	/nfs/dbraw/zinc/95/62/84/581956284.db2.gz	IMPPRUQIEMERSA-UHFFFAOYSA-N	-1	0	284.275	0.658	20	10		CCCDRM
COCCN(CCC(=O)[O-])C(=O)Cc1ccc(N)cc1	ZINC000763073473	581983778	/nfs/dbraw/zinc/98/37/78/581983778.db2.gz	LAOQEMXSIOERHN-UHFFFAOYSA-N	-1	0	280.324	0.761	20	10		CCCDRM
COc1ccc(O)c([C@H](C)NC(=O)CNC(=O)[O-])c1	ZINC000738041983	582017640	/nfs/dbraw/zinc/01/76/40/582017640.db2.gz	RFUFBDVMUINGPZ-ZETCQYMHSA-N	-1	0	268.269	0.846	20	10		CCCDRM
C[C@H](CC(=O)NCCc1ccc(O)c(O)c1)NC(=O)[O-]	ZINC000824654244	605518494	/nfs/dbraw/zinc/51/84/94/605518494.db2.gz	FBVSHFUMNGXNKH-MRVPVSSYSA-N	-1	0	282.296	0.803	20	10		CCCDRM
O=C([O-])NCCCC(=O)NCc1ccc(O)c(O)c1	ZINC000832608886	605522828	/nfs/dbraw/zinc/52/28/28/605522828.db2.gz	MUTWZRFRDWDWCO-UHFFFAOYSA-N	-1	0	268.269	0.762	20	10		CCCDRM
O=C([O-])N[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1	ZINC000834187499	605698557	/nfs/dbraw/zinc/69/85/57/605698557.db2.gz	YLIPYLYKAXZDTK-XCRNYIDWSA-N	-1	0	292.291	0.980	20	10		CCCDRM
COc1ccc(CNC(=O)NC[C@@H](C)C(=O)[O-])c(O)c1	ZINC000848588185	617254570	/nfs/dbraw/zinc/25/45/70/617254570.db2.gz	PZYDIWWTPIPLJA-MRVPVSSYSA-N	-1	0	282.296	0.921	20	10		CCCDRM
CC(C)(C)[C@@H](O)C[C@H](CO)NC(=O)c1cccc(O)c1O	ZINC000803567614	614025941	/nfs/dbraw/zinc/02/59/41/614025941.db2.gz	RZNXOBYJQBMKLE-SKDRFNHKSA-N	-1	0	297.351	0.986	20	10		CCCDRM
CN(C)c1ccc2c(c1)OCCN2CC(=O)NCC(=O)[O-]	ZINC000820548070	616020026	/nfs/dbraw/zinc/02/00/26/616020026.db2.gz	VHFCJTWVDVICIU-UHFFFAOYSA-N	-1	0	293.323	0.152	20	10		CCCDRM
CN(Cc1cn(C)nn1)c1ccc(OCC(=O)[O-])cc1	ZINC000846279950	616091544	/nfs/dbraw/zinc/09/15/44/616091544.db2.gz	QVLUNYZKPVQEEV-UHFFFAOYSA-N	-1	0	276.296	0.915	20	10		CCCDRM
CN(Cc1ncnn1C)c1ccc(OCC(=O)[O-])cc1	ZINC000846279599	616108353	/nfs/dbraw/zinc/10/83/53/616108353.db2.gz	HKELSWFDIWHFIB-UHFFFAOYSA-N	-1	0	276.296	0.915	20	10		CCCDRM
COC(=O)[C@@H](CC(=O)[O-])NC(=O)C1=CC(=O)CS1	ZINC000831068180	616953047	/nfs/dbraw/zinc/95/30/47/616953047.db2.gz	ZDWNSNBGCFCRIJ-ZCFIWIBFSA-N	-1	0	273.266	0.200	20	10		CCCDRM
O=C(c1cccc(O)c1O)N1CC[C@@H](O)[C@H](F)C1	ZINC000890692097	624563805	/nfs/dbraw/zinc/56/38/05/624563805.db2.gz	SQOKUMOYQGMTHP-RKDXNWHRSA-N	-1	0	255.245	0.643	20	10		CCCDRM
Nc1ccc(CC(=O)Nc2cnn(CC(=O)[O-])c2)cc1	ZINC000041019605	633541944	/nfs/dbraw/zinc/54/19/44/633541944.db2.gz	UOCJKBMBMIPTEM-UHFFFAOYSA-N	-1	0	274.280	0.731	20	10		CCCDRM
O=C([O-])c1ccc(CN2CC(F)(CO)C2)c(O)c1	ZINC001231445655	805803113	/nfs/dbraw/zinc/80/31/13/805803113.db2.gz	AFJGMJGVYRLSMX-UHFFFAOYSA-N	-1	0	255.245	0.607	20	10		CCCDRM
CN1CCC2(C[NH+](Cc3ccc(C(=O)[O-])cc3O)C2)C1=O	ZINC001231452457	805805533	/nfs/dbraw/zinc/80/55/33/805805533.db2.gz	APANEKWMSBWIQM-UHFFFAOYSA-N	-1	0	290.319	0.755	20	10		CCCDRM
O=C([O-])c1ccc(CN2CCn3nncc3C2)c(O)c1	ZINC001231455273	805807367	/nfs/dbraw/zinc/80/73/67/805807367.db2.gz	MCMBOISODCLTLB-UHFFFAOYSA-N	-1	0	274.280	0.698	20	10		CCCDRM
C[C@H]1C(=O)NCCN1Cc1cc(C(=O)[O-])ccc1O	ZINC001231564541	805817346	/nfs/dbraw/zinc/81/73/46/805817346.db2.gz	TXMCWCRCFMSIET-QMMMGPOBSA-N	-1	0	264.281	0.411	20	10		CCCDRM
O=C1COC[C@H]2CN(Cc3ccc(F)c(F)c3[O-])CCN12	ZINC001233078224	806017615	/nfs/dbraw/zinc/01/76/15/806017615.db2.gz	MBKHLINXFICNSJ-SNVBAGLBSA-N	-1	0	298.289	0.713	20	10		CCCDRM
C[C@@H]1CNC(=O)CN1Cc1ccc(F)c(F)c1[O-]	ZINC001233078292	806018461	/nfs/dbraw/zinc/01/84/61/806018461.db2.gz	PSDVWKJQJMHWCB-SSDOTTSWSA-N	-1	0	256.252	0.991	20	10		CCCDRM
O=C1CN(Cc2c([O-])cc(F)cc2F)CCCN1	ZINC001140582343	799924206	/nfs/dbraw/zinc/92/42/06/799924206.db2.gz	GPVIUPNSPFWCNM-UHFFFAOYSA-N	-1	0	256.252	0.992	20	10		CCCDRM
NC(=O)C1=NO[C@@H]2CN(Cc3c(F)ccc(F)c3[O-])C[C@H]12	ZINC001276941862	805005146	/nfs/dbraw/zinc/00/51/46/805005146.db2.gz	FJRHUNHHQWOZIJ-OIBJUYFYSA-N	-1	0	297.261	0.342	20	10		CCCDRM
COC(=O)CS(=O)(=O)[N-]c1cccc(O)c1O	ZINC001259025590	808722864	/nfs/dbraw/zinc/72/28/64/808722864.db2.gz	YMXWMBYUNPYGGJ-UHFFFAOYSA-N	-1	0	261.255	0.013	20	10		CCCDRM
O=C([O-])CCC(=O)CNC(=O)CCc1ccc(O)c(O)c1	ZINC001182157559	843739854	/nfs/dbraw/zinc/73/98/54/843739854.db2.gz	UUVJRZBXBHCWBS-UHFFFAOYSA-N	-1	0	295.291	0.581	20	10		CCCDRM
COC(=O)[C@@H]1C(=O)NCCN1Cc1cc(Cl)ccc1O	ZINC001203665538	844738815	/nfs/dbraw/zinc/73/88/15/844738815.db2.gz	NZAIJINMYJHVNO-NSHDSACASA-N	-1	0	298.726	0.519	20	10		CCCDRM
Cn1[nH]cnc1=NC(=O)c1ccc([O-])c(O)c1Cl	ZINC001193209280	846022049	/nfs/dbraw/zinc/02/20/49/846022049.db2.gz	HUBWEJPZUQYMAF-UHFFFAOYSA-N	-1	0	268.660	0.554	20	10		CCCDRM
CNC(=O)[C@H](C)NC(=O)c1cc(O)c([O-])c(Cl)c1	ZINC001193625669	846128506	/nfs/dbraw/zinc/12/85/06/846128506.db2.gz	LTVQBYFIBRTLQV-YFKPBYRVSA-N	-1	0	272.688	0.616	20	10		CCCDRM
CNC(=O)N[C@H]1CCN(C(=O)c2cccc(O)c2O)C1	ZINC001296169802	906869282	/nfs/dbraw/zinc/86/92/82/906869282.db2.gz	KSJDITZMHVKJKW-QMMMGPOBSA-N	-1	0	279.296	0.241	20	10		CCCDRM
CC(C)[C@@H](NC(=O)c1cccc(O)c1O)C(=O)[O-]	ZINC000125982087	949260931	/nfs/dbraw/zinc/26/09/31/949260931.db2.gz	ZUVFIQHIFQLNDW-SECBINFHSA-N	-1	0	253.254	0.937	20	10		CCCDRM
CC(C)(NC(=O)Cc1ccc(O)c(O)c1)C(=O)[O-]	ZINC001602950369	971927120	/nfs/dbraw/zinc/92/71/20/971927120.db2.gz	POFAXWHGQNZOIP-UHFFFAOYSA-N	-1	0	253.254	0.620	20	10		CCCDRM
O=C([O-])C1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1	ZINC001594919861	954798445	/nfs/dbraw/zinc/79/84/45/954798445.db2.gz	CPWTZASIXYTHDX-UHFFFAOYSA-N	-1	0	279.292	0.964	20	10		CCCDRM
C[C@H](C(=O)[O-])C(=O)NCCc1ccc(O)c(O)c1	ZINC001609700721	970464785	/nfs/dbraw/zinc/46/47/85/970464785.db2.gz	BDONHJBZCBPQDE-ZETCQYMHSA-N	-1	0	253.254	0.477	20	10		CCCDRM
CC(=O)C(=O)COC(=O)[C@]1(C(=O)[O-])C[C@H]1c1ccccc1	ZINC001589021044	985010168	/nfs/dbraw/zinc/01/01/68/985010168.db2.gz	JTEMAQZRFBBWQQ-XHDPSFHLSA-N	-1	0	290.271	0.946	20	10		CCCDRM
COc1ccc(N2CCN(C(=O)CC(=O)[O-])CC2)cc1F	ZINC001599585471	993606974	/nfs/dbraw/zinc/60/69/74/993606974.db2.gz	SEQLJWWQQQHSBH-UHFFFAOYSA-N	-1	0	296.298	0.958	20	10		CCCDRM
COc1ccc(N2CCCN(C(=O)C(=O)[O-])CC2)cc1	ZINC000368492164	267177649	/nfs/dbraw/zinc/17/76/49/267177649.db2.gz	AAXKVFOQYOYQFR-UHFFFAOYSA-N	-1	0	278.308	0.819	20	10		CCCDRM
O=C([O-])[C@H]1CN(Cc2cc3c(cc2O)OC[C@H]3O)CCO1	ZINC000821513609	598098071	/nfs/dbraw/zinc/09/80/71/598098071.db2.gz	ZIERAWPWUAXDOD-DGCLKSJQSA-N	-1	0	295.291	0.103	20	10		CCCDRM
O=C([O-])[C@H]1C[C@@H]1C(=O)NCc1ccc(O)c(O)c1	ZINC000833178643	604918371	/nfs/dbraw/zinc/91/83/71/604918371.db2.gz	HQDFYFSKJIQOGR-YUMQZZPRSA-N	-1	0	251.238	0.435	20	10		CCCDRM
CN(CCS(N)(=O)=O)Cc1c([O-])ccc(Cl)c1F	ZINC000877827030	616121214	/nfs/dbraw/zinc/12/12/14/616121214.db2.gz	LJOLEVSKTLXCPJ-UHFFFAOYSA-N	-1	0	296.751	0.905	20	10		CCCDRM
CNC(=O)[C@H]1CN(Cc2ccc(F)c(F)c2[O-])CCO1	ZINC000877191797	616889575	/nfs/dbraw/zinc/88/95/75/616889575.db2.gz	FVVFBOBGTOAHCE-SNVBAGLBSA-N	-1	0	286.278	0.617	20	10		CCCDRM
CO[C@H]1CCCN(NC(=O)c2c(F)ccc(O)c2O)C1	ZINC000900662819	617096823	/nfs/dbraw/zinc/09/68/23/617096823.db2.gz	IYVNWXUKNPEHCC-QMMMGPOBSA-N	-1	0	284.287	0.993	20	10		CCCDRM
CO[N-]C(=O)CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	ZINC000922054879	617113873	/nfs/dbraw/zinc/11/38/73/617113873.db2.gz	MTJFHEOJQNXKRY-JTQLQIEISA-N	-1	0	294.355	0.790	20	10		CCCDRM
CO[C@](C)(C(=O)[O-])C(=O)NCc1ccc(N(C)C)cc1	ZINC000849364318	617125211	/nfs/dbraw/zinc/12/52/11/617125211.db2.gz	IPGKWPLPBKNAKD-AWEZNQCLSA-N	-1	0	280.324	0.859	20	10		CCCDRM
CCCN(CC(N)=O)C(=O)c1cccc(O)c1O	ZINC000310956264	623604598	/nfs/dbraw/zinc/60/45/98/623604598.db2.gz	NFYKEQQIZGVXDI-UHFFFAOYSA-N	-1	0	252.270	0.435	20	10		CCCDRM
Cn1cnc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c1	ZINC000800793271	640620865	/nfs/dbraw/zinc/62/08/65/640620865.db2.gz	JEKMDISLZTWHRR-GHXNOFRVSA-N	-1	0	268.276	0.882	20	10		CCCDRM
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(=O)n(C)[n-]1	ZINC000831925591	642409563	/nfs/dbraw/zinc/40/95/63/642409563.db2.gz	ZDNIOYZRNGRITI-QMMMGPOBSA-N	-1	0	291.307	0.898	20	10		CCCDRM
O=C(CO)N1CCN(Cc2ccc(F)c(F)c2[O-])CC1	ZINC000877505168	646820579	/nfs/dbraw/zinc/82/05/79/646820579.db2.gz	XYLFFYDIKBQXSO-UHFFFAOYSA-N	-1	0	286.278	0.307	20	10		CCCDRM
O=C(NCc1ccc(O)cc1O)c1c[n-]ncc1=O	ZINC001142532967	800129006	/nfs/dbraw/zinc/12/90/06/800129006.db2.gz	AUTGLARGVNRHSP-UHFFFAOYSA-N	-1	0	261.237	0.523	20	10		CCCDRM
COC(=O)[C@@H]1C[C@H](O)CN1Cc1ccc(F)c(F)c1[O-]	ZINC001262010669	809154068	/nfs/dbraw/zinc/15/40/68/809154068.db2.gz	LQSHWTSWZLIPBF-WPRPVWTQSA-N	-1	0	287.262	0.779	20	10		CCCDRM
Cc1[nH][nH]c2ncnc(=NC(=O)c3cccc(O)c3[O-])c1-2	ZINC001148212938	840761978	/nfs/dbraw/zinc/76/19/78/840761978.db2.gz	POSYUVSATJKNNB-UHFFFAOYSA-N	-1	0	285.263	0.698	20	10		CCCDRM
COC(=O)[C@H](CCC(=O)[O-])NC(=O)c1cccc(O)c1O	ZINC001148219833	840766453	/nfs/dbraw/zinc/76/64/53/840766453.db2.gz	AMKDFYUGICSVJZ-QMMMGPOBSA-N	-1	0	297.263	0.234	20	10		CCCDRM
Cn1ccnc1S(=O)(=O)[N-]c1ccc(O)cc1	ZINC001193550808	846115186	/nfs/dbraw/zinc/11/51/86/846115186.db2.gz	RYYXWGUBKOEZHW-UHFFFAOYSA-N	-1	0	253.283	0.927	20	10		CCCDRM
NC(=O)C1(NC(=O)c2cc(O)c([O-])c(Cl)c2)CC1	ZINC001193626223	846129598	/nfs/dbraw/zinc/12/95/98/846129598.db2.gz	SNGCFCIMLIDNCC-UHFFFAOYSA-N	-1	0	270.672	0.499	20	10		CCCDRM
CN(C)C[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])C(=O)[O-]	ZINC001119550221	856733517	/nfs/dbraw/zinc/73/35/17/856733517.db2.gz	CKRFOTBWICKOMG-JTQLQIEISA-N	-1	0	274.267	0.775	20	10		CCCDRM
O=C([O-])[C@H](CCO)[NH2+]Cc1cc(F)cc(F)c1[O-]	ZINC001334068828	919350431	/nfs/dbraw/zinc/35/04/31/919350431.db2.gz	AHEHCWRBUJKNIB-VIFPVBQESA-N	-1	0	261.224	0.596	20	10		CCCDRM
CCOC(=O)CC(C)(C)CC(=O)C(=O)CCc1nnn[n-]1	ZINC001449117296	931075054	/nfs/dbraw/zinc/07/50/54/931075054.db2.gz	GYYFHIZHKFZFDH-UHFFFAOYSA-N	-1	0	296.327	0.640	20	10		CCCDRM
COc1c([O-])c(C[NH2+]CCC(=O)[O-])ccc1[N+](=O)[O-]	ZINC001611023911	970854370	/nfs/dbraw/zinc/85/43/70/970854370.db2.gz	GGONSTUHFIXLPE-UHFFFAOYSA-N	-1	0	270.241	0.873	20	10		CCCDRM
CS(=O)(=O)Nc1ccc(O)c(C(=O)OCC(=O)[O-])c1	ZINC001594171124	958999613	/nfs/dbraw/zinc/99/96/13/958999613.db2.gz	CSQTUFNOQKIIMH-UHFFFAOYSA-N	-1	0	289.265	0.005	20	10		CCCDRM
C[C@@H](CC(=O)[O-])NC(=O)Cc1ccc(O)c(O)c1	ZINC001588997064	962855815	/nfs/dbraw/zinc/85/58/15/962855815.db2.gz	UAWKFZMHJVWPFT-ZETCQYMHSA-N	-1	0	253.254	0.620	20	10		CCCDRM
C[C@@](CO)(NC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)[O-]	ZINC001592741233	979275222	/nfs/dbraw/zinc/27/52/22/979275222.db2.gz	FQNAFGNPVRSOTG-LQPUYASZSA-N	-1	0	281.264	0.063	20	10		CCCDRM
CC(=O)C(=O)COC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1	ZINC001589021674	985012681	/nfs/dbraw/zinc/01/26/81/985012681.db2.gz	SBAKKWIHWFBEFJ-DTWKUNHWSA-N	-1	0	256.254	0.579	20	10		CCCDRM
COC(=O)CN(CC(=O)[O-])Cc1ccc(N(C)C)cc1	ZINC001598861502	996678604	/nfs/dbraw/zinc/67/86/04/996678604.db2.gz	BWMRTKYOPAULEM-UHFFFAOYSA-N	-1	0	280.324	0.812	20	10		CCCDRM
COC(=O)[C@@H](CCC(=O)[O-])NC(=O)C1=CC(=O)CS1	ZINC001598892340	997015486	/nfs/dbraw/zinc/01/54/86/997015486.db2.gz	GALRHINNMCGUDT-SSDOTTSWSA-N	-1	0	287.293	0.590	20	10		CCCDRM
COCCS(=O)(=O)Nc1ccc(O)c(C(=O)[O-])c1	ZINC000042808027	348294959	/nfs/dbraw/zinc/29/49/59/348294959.db2.gz	YZKCJSOAQVGIIU-UHFFFAOYSA-N	-1	0	275.282	0.479	20	10		CCCDRM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cncnc1	ZINC000781112338	581259259	/nfs/dbraw/zinc/25/92/59/581259259.db2.gz	WRPNDVIWOKTIEX-SDQBBNPISA-N	-1	0	266.260	0.938	20	10		CCCDRM
CN1C(=O)C(=Cc2cc(C(=O)[O-])cs2)C(=O)N(C)C1=O	ZINC000782200615	581292177	/nfs/dbraw/zinc/29/21/77/581292177.db2.gz	VPYMENDQOAXKSK-UHFFFAOYSA-N	-1	0	294.288	0.880	20	10		CCCDRM
COc1cccc(CNC(=O)[C@@H](C)NC(=O)[O-])c1O	ZINC000739944027	581637717	/nfs/dbraw/zinc/63/77/17/581637717.db2.gz	IIFVRRYLZNOJFI-SSDOTTSWSA-N	-1	0	268.269	0.673	20	10		CCCDRM
C[C@@H](CN(C)C(=O)C1=CC(=O)CS1)c1nnn[n-]1	ZINC000735998529	581681704	/nfs/dbraw/zinc/68/17/04/581681704.db2.gz	PDAPSEMRYWLPIK-LURJTMIESA-N	-1	0	267.314	0.843	20	10		CCCDRM
O=C([O-])[C@H]1CN(Cc2cc3c(cc2O)OCO3)CCO1	ZINC000738550244	582061545	/nfs/dbraw/zinc/06/15/45/582061545.db2.gz	ZNRQQHMIXUBTGG-GFCCVEGCSA-N	-1	0	281.264	0.406	20	10		CCCDRM
COc1cc(CN2CCO[C@@H](C(=O)[O-])C2)c(O)cc1C	ZINC000820764024	617186120	/nfs/dbraw/zinc/18/61/20/617186120.db2.gz	UDYLVABWNAJVAW-CYBMUJFWSA-N	-1	0	281.308	0.995	20	10		CCCDRM
C[C@@H](CC(=O)NCCc1ccc(O)c(O)c1)NC(=O)[O-]	ZINC000824654246	605518439	/nfs/dbraw/zinc/51/84/39/605518439.db2.gz	FBVSHFUMNGXNKH-QMMMGPOBSA-N	-1	0	282.296	0.803	20	10		CCCDRM
O=C([O-])N1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1	ZINC000834115078	605694161	/nfs/dbraw/zinc/69/41/61/605694161.db2.gz	IQOWSQLXFVTNBZ-DUXPYHPUSA-N	-1	0	292.291	0.933	20	10		CCCDRM
COC(=O)[C@H](CC(=O)[O-])NC(=O)C1=CC(=O)CS1	ZINC000831068179	616589184	/nfs/dbraw/zinc/58/91/84/616589184.db2.gz	ZDWNSNBGCFCRIJ-LURJTMIESA-N	-1	0	273.266	0.200	20	10		CCCDRM
COC[C@](C)(NC(=O)c1ccc(C)c(O)c1O)C(=O)[O-]	ZINC000833721318	616831663	/nfs/dbraw/zinc/83/16/63/616831663.db2.gz	NPRWSWFUTPPJST-ZDUSSCGKSA-N	-1	0	283.280	0.626	20	10		CCCDRM
COC[C@@H](NCc1ccc(F)c(F)c1[O-])C(=O)OC	ZINC000877469709	616901036	/nfs/dbraw/zinc/90/10/36/616901036.db2.gz	SLMKYILBIDJFRT-SECBINFHSA-N	-1	0	275.251	0.948	20	10		CCCDRM
CO[C@](C)(C(=O)[O-])C(=O)NCc1ccccc1O	ZINC000852943872	617125174	/nfs/dbraw/zinc/12/51/74/617125174.db2.gz	ZYAFZFHKRLAWDM-LBPRGKRZSA-N	-1	0	253.254	0.498	20	10		CCCDRM
CO[C@@H](C)C(=O)N(CC(=O)[O-])Cc1ccccc1O	ZINC000911486140	617131641	/nfs/dbraw/zinc/13/16/41/617131641.db2.gz	MLOVKJBOXDGOQZ-VIFPVBQESA-N	-1	0	267.281	0.840	20	10		CCCDRM
N#Cc1nc(NC(=O)c2cccc(O)c2O)[n-]c1C#N	ZINC000192979176	625495650	/nfs/dbraw/zinc/49/56/50/625495650.db2.gz	FSCBQYNTPZPPLQ-UHFFFAOYSA-N	-1	0	269.220	0.817	20	10		CCCDRM
O=C(C[C@@H]1CC(=O)NC1=O)NCc1cccc(Cl)c1O	ZINC000890761679	624629058	/nfs/dbraw/zinc/62/90/58/624629058.db2.gz	VOKKDZRBGPXNFW-MRVPVSSYSA-N	-1	0	296.710	0.715	20	10		CCCDRM
NC(=O)[C@@H]1CN(Cc2cc(F)cc(F)c2[O-])CCO1	ZINC000893987452	631495836	/nfs/dbraw/zinc/49/58/36/631495836.db2.gz	RKWWSZXLFFPVMQ-JTQLQIEISA-N	-1	0	272.251	0.357	20	10		CCCDRM
C[C@H]1CN(Cc2cc(F)cc(F)c2[O-])CC(=O)N1	ZINC000894903701	631879789	/nfs/dbraw/zinc/87/97/89/631879789.db2.gz	TZGKFLUXHAJRIE-ZETCQYMHSA-N	-1	0	256.252	0.991	20	10		CCCDRM
O=C1NC(=O)C2(CN(Cc3cc(Cl)c(F)cc3[O-])C2)N1	ZINC000897904134	633253695	/nfs/dbraw/zinc/25/36/95/633253695.db2.gz	SVDREUMHFZNBHF-UHFFFAOYSA-N	-1	0	299.689	0.579	20	10		CCCDRM
COc1ccc(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])c(O)c1	ZINC000843332022	643033281	/nfs/dbraw/zinc/03/32/81/643033281.db2.gz	IGQDPAYVHPIHRD-NXEZZACHSA-N	-1	0	265.265	0.738	20	10		CCCDRM
Nc1ccc(CC(=O)NC2(c3nnn[n-]3)CCCC2)cc1	ZINC000843442092	643057613	/nfs/dbraw/zinc/05/76/13/643057613.db2.gz	AVKYVFDEZRNWPZ-UHFFFAOYSA-N	-1	0	286.339	0.910	20	10		CCCDRM
C[C@@H](CNC(=O)NCc1ccccc1O)C(=O)[O-]	ZINC000848585246	643655714	/nfs/dbraw/zinc/65/57/14/643655714.db2.gz	NMOAZLIKNJRPKC-QMMMGPOBSA-N	-1	0	252.270	0.912	20	10		CCCDRM
O=C(NC1CC(N2CCOCC2)C1)c1cccc(O)c1O	ZINC000862108119	644974493	/nfs/dbraw/zinc/97/44/93/644974493.db2.gz	SWSWWELKZBXNLM-UHFFFAOYSA-N	-1	0	292.335	0.691	20	10		CCCDRM
CN1CCN(Cc2ccc(C(=O)[O-])cc2O)CC1=O	ZINC001231447491	805802565	/nfs/dbraw/zinc/80/25/65/805802565.db2.gz	VMNGWBQCIKGDAQ-UHFFFAOYSA-N	-1	0	264.281	0.364	20	10		CCCDRM
O=C([O-])c1ccc(CN2CC3(C2)CS(=O)C3)c(O)c1	ZINC001231450011	805803957	/nfs/dbraw/zinc/80/39/57/805803957.db2.gz	PFYXZOQFCHWMIZ-UHFFFAOYSA-N	-1	0	281.333	0.655	20	10		CCCDRM
CC(=O)NC1CN(Cc2cc(C(=O)[O-])ccc2O)C1	ZINC001231564007	805818692	/nfs/dbraw/zinc/81/86/92/805818692.db2.gz	HTTSQNTUTLEVGD-UHFFFAOYSA-N	-1	0	264.281	0.411	20	10		CCCDRM
O=C(c1cc(=O)n(-c2ccccc2)[n-]1)N1CCC(O)CC1	ZINC001161181817	799716640	/nfs/dbraw/zinc/71/66/40/799716640.db2.gz	VHPDAHCTVKPKRF-UHFFFAOYSA-N	-1	0	287.319	0.763	20	10		CCCDRM
CN1CCN(Cc2c([O-])cc(F)cc2F)CC1=O	ZINC001140579993	799922737	/nfs/dbraw/zinc/92/27/37/799922737.db2.gz	NLZFWUHFZABYDB-UHFFFAOYSA-N	-1	0	256.252	0.944	20	10		CCCDRM
COC(=O)CS(=O)(=O)[N-]c1ccc(O)cc1O	ZINC001259016824	808715295	/nfs/dbraw/zinc/71/52/95/808715295.db2.gz	BREOFYQEFLKXQR-UHFFFAOYSA-N	-1	0	261.255	0.013	20	10		CCCDRM
COc1cc(O)ccc1[N-]S(=O)(=O)c1cn[nH]c1	ZINC001260961262	808892429	/nfs/dbraw/zinc/89/24/29/808892429.db2.gz	MTOZNHILIXTTCC-UHFFFAOYSA-N	-1	0	269.282	0.925	20	10		CCCDRM
O=C(NC1=CCOC1=O)c1cc(=O)n(-c2ccccc2)[n-]1	ZINC001147893622	840705520	/nfs/dbraw/zinc/70/55/20/840705520.db2.gz	QSPMTYSWXWYDHF-UHFFFAOYSA-N	-1	0	285.259	0.336	20	10		CCCDRM
C[C@H]1CN(C(=O)c2cc(=O)n(-c3ccccc3)[n-]2)C[C@@H]1O	ZINC001147881300	840713250	/nfs/dbraw/zinc/71/32/50/840713250.db2.gz	TZPLIZOHRFCOLC-GWCFXTLKSA-N	-1	0	287.319	0.619	20	10		CCCDRM
O=C(NC1C(=O)N=CN=C1[O-])c1cccc(O)c1O	ZINC001148211947	840762305	/nfs/dbraw/zinc/76/23/05/840762305.db2.gz	DRWSOKAYXPASDA-UHFFFAOYSA-N	-1	0	263.209	0.551	20	10		CCCDRM
O=C(Cn1nn[n-]c1=S)N1CCc2cccc(O)c2C1	ZINC001177739986	842663647	/nfs/dbraw/zinc/66/36/47/842663647.db2.gz	WOLMLILZVFHZKB-UHFFFAOYSA-N	-1	0	291.336	0.252	20	10		CCCDRM
Cc1cccc(CNS(=O)(=O)c2ncc[n-]2)c1O	ZINC001190754681	845491454	/nfs/dbraw/zinc/49/14/54/845491454.db2.gz	BLNWZZXSKDFJGK-UHFFFAOYSA-N	-1	0	267.310	0.902	20	10		CCCDRM
Cn1[n-]c(C(=O)NCCc2cc(O)c(O)cc2O)cc1=O	ZINC001194202265	846239469	/nfs/dbraw/zinc/23/94/69/846239469.db2.gz	DVOIXFJVQIPZKW-UHFFFAOYSA-N	-1	0	293.279	0.215	20	10		CCCDRM
Cc1ncc(S(=O)(=O)[N-]c2ccc(O)cc2O)n1C	ZINC001198343778	847090417	/nfs/dbraw/zinc/09/04/17/847090417.db2.gz	KCZAMZDJLBWRRA-UHFFFAOYSA-N	-1	0	283.309	0.941	20	10		CCCDRM
O=C([O-])[C@@H]1CCN(C(=O)c2cccc(O)c2O)C1	ZINC000126020668	949262700	/nfs/dbraw/zinc/26/27/00/949262700.db2.gz	PRRAMUNXABLEDJ-SSDOTTSWSA-N	-1	0	251.238	0.645	20	10		CCCDRM
COC(=O)c1cnc(SCC(=O)C(=O)[O-])s1	ZINC001593893704	955804092	/nfs/dbraw/zinc/80/40/92/955804092.db2.gz	ZWRLHCYGYYQSKL-UHFFFAOYSA-N	-1	0	261.280	0.676	20	10		CCCDRM
COCCN(CCC(=O)[O-])C(=O)c1cccc(O)c1O	ZINC001604604944	973718190	/nfs/dbraw/zinc/71/81/90/973718190.db2.gz	XKBHBIIAQHEXFN-UHFFFAOYSA-N	-1	0	283.280	0.661	20	10		CCCDRM
O=C([O-])C(=O)COC(=O)C=Cc1ccc(O)c(O)c1	ZINC001605667676	974067801	/nfs/dbraw/zinc/06/78/01/974067801.db2.gz	HZLMMASFIOYGKO-RQOWECAXSA-N	-1	0	266.205	0.308	20	10		CCCDRM
C[C@](CCF)(NC(=O)Cc1ccc(O)c(O)c1)C(=O)[O-]	ZINC001592498050	978306405	/nfs/dbraw/zinc/30/64/05/978306405.db2.gz	NLWRFKQGJPNBHR-CYBMUJFWSA-N	-1	0	285.271	0.959	20	10		CCCDRM
COC(=O)[C@H]1CN(C(=O)C2=CC(=O)CS2)C[C@H]1C(=O)[O-]	ZINC001598814319	996256996	/nfs/dbraw/zinc/25/69/96/996256996.db2.gz	CEYAAPLVXVDDCH-SFYZADRCSA-N	-1	0	299.304	0.400	20	10		CCCDRM
COC(=O)[C@H]1CN(C(=O)C2=CC(=O)CS2)C[C@@H]1C(=O)[O-]	ZINC001598814320	996257029	/nfs/dbraw/zinc/25/70/29/996257029.db2.gz	CEYAAPLVXVDDCH-YUMQZZPRSA-N	-1	0	299.304	0.400	20	10		CCCDRM
CC1(C)COCCN1CCNC(=O)c1cccc(O)c1O	ZINC000193017620	351807949	/nfs/dbraw/zinc/80/79/49/351807949.db2.gz	CUTHUNXRUKNUEH-UHFFFAOYSA-N	-1	0	294.351	0.938	20	10		CCCDRM
C[C@@H](N=c1nn[n-]n1C)c1ccc(N2CCOCC2)cc1	ZINC000730804949	581736726	/nfs/dbraw/zinc/73/67/26/581736726.db2.gz	OEILCZOOQCWXRL-LLVKDONJSA-N	-1	0	288.355	0.642	20	10		CCCDRM
Cc1ccc(C(=O)OCc2n[nH]c(=O)[n-]2)c(O)c1O	ZINC000774938199	582004255	/nfs/dbraw/zinc/00/42/55/582004255.db2.gz	BLUIDFZZGAYTFM-UHFFFAOYSA-N	-1	0	265.225	0.587	20	10		CCCDRM
COc1ccc(O)c([C@@H](C)NC(=O)CNC(=O)[O-])c1	ZINC000738041981	582017596	/nfs/dbraw/zinc/01/75/96/582017596.db2.gz	RFUFBDVMUINGPZ-SSDOTTSWSA-N	-1	0	268.269	0.846	20	10		CCCDRM
O=C([O-])[C@@H]1CN(C(=O)C2=CC(=O)CS2)CCO1	ZINC000738548161	582061170	/nfs/dbraw/zinc/06/11/70/582061170.db2.gz	OKCLWXTWKMASBN-ZETCQYMHSA-N	-1	0	257.267	0.379	20	10		CCCDRM
C[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)[O-]	ZINC000116518961	617180021	/nfs/dbraw/zinc/18/00/21/617180021.db2.gz	HTRLGQVZCDCTDC-YSCPKTQFSA-N	-1	0	251.238	0.700	20	10		CCCDRM
O=C([O-])NCC(=O)NCCc1ccc(O)c(O)c1	ZINC000832397569	605520325	/nfs/dbraw/zinc/52/03/25/605520325.db2.gz	YAWJZCAVPPWOFO-UHFFFAOYSA-N	-1	0	254.242	0.024	20	10		CCCDRM
O=C([O-])N1CSC[C@@H]1C(=O)NCc1ccc(O)c(O)c1	ZINC000831715494	605545095	/nfs/dbraw/zinc/54/50/95/605545095.db2.gz	RDGRBEZIIXORBU-MRVPVSSYSA-N	-1	0	298.320	0.767	20	10		CCCDRM
Cc1ccc(C(=O)N2CC[C@H](NC(=O)[O-])C2)c(O)c1O	ZINC000833904085	605838284	/nfs/dbraw/zinc/83/82/84/605838284.db2.gz	POYPHEQYSGVZES-QMMMGPOBSA-N	-1	0	280.280	0.888	20	10		CCCDRM
COc1cccc(CNC(=O)NCCC(=O)[O-])c1O	ZINC000818622526	617298619	/nfs/dbraw/zinc/29/86/19/617298619.db2.gz	NPXCNWQDXDMUJD-UHFFFAOYSA-N	-1	0	268.269	0.675	20	10		CCCDRM
COc1cccc(CNC(=O)NC[C@H](C)C(=O)[O-])c1O	ZINC000848585484	617299030	/nfs/dbraw/zinc/29/90/30/617299030.db2.gz	MITRAKJXEJPFHK-QMMMGPOBSA-N	-1	0	282.296	0.921	20	10		CCCDRM
CN(Cc1ccccc1O)C(=O)NCCOCC(=O)[O-]	ZINC000874409129	616170628	/nfs/dbraw/zinc/17/06/28/616170628.db2.gz	SRMIWZYWRPIVAC-UHFFFAOYSA-N	-1	0	282.296	0.635	20	10		CCCDRM
CO[C@@H]1C[N@H+](Cc2ccc(F)c(F)c2[O-])C[C@H]1O	ZINC000877570366	616775801	/nfs/dbraw/zinc/77/58/01/616775801.db2.gz	LYJRKLBEGFZTJE-NXEZZACHSA-N	-1	0	259.252	0.862	20	10		CCCDRM
CO[N-]C(=O)C[NH2+]Cc1c([O-])ccc(Cl)c1F	ZINC000922828978	617117560	/nfs/dbraw/zinc/11/75/60/617117560.db2.gz	DBEKDWHBGFWAJM-UHFFFAOYSA-N	-1	0	262.668	0.952	20	10		CCCDRM
O=C(CO)N1CCN(Cc2cc(F)cc(F)c2[O-])CC1	ZINC000894685787	631812434	/nfs/dbraw/zinc/81/24/34/631812434.db2.gz	OAQCZGWABCKLKF-UHFFFAOYSA-N	-1	0	286.278	0.307	20	10		CCCDRM
O=C([O-])CN(Cc1ccccc1O)C(=O)C1CC(=O)C1	ZINC000911485318	636275953	/nfs/dbraw/zinc/27/59/53/636275953.db2.gz	WZKLDXAZFDIDOX-UHFFFAOYSA-N	-1	0	277.276	0.785	20	10		CCCDRM
C[C@H]1CN(Cc2ccc(C(=O)[O-])cc2O)CC(=O)N1	ZINC001231447209	805803978	/nfs/dbraw/zinc/80/39/78/805803978.db2.gz	PJXAOOYEMVKOLC-QMMMGPOBSA-N	-1	0	264.281	0.411	20	10		CCCDRM
O=C([O-])c1ccc(O)c(CN2CC[C@@H](O)[C@@H](F)C2)c1	ZINC001231561619	805818269	/nfs/dbraw/zinc/81/82/69/805818269.db2.gz	WTMCERCMHQGSDI-CMPLNLGQSA-N	-1	0	269.272	0.995	20	10		CCCDRM
O=C1CN(C2CN(Cc3ccc(F)c(F)c3[O-])C2)CCN1	ZINC001233078545	806018833	/nfs/dbraw/zinc/01/88/33/806018833.db2.gz	YGUXQKBXUJPUFD-UHFFFAOYSA-N	-1	0	297.305	0.286	20	10		CCCDRM
O=S1(=O)CCN(Cc2c(O)ccc(F)c2F)CC1	ZINC001233332310	806042126	/nfs/dbraw/zinc/04/21/26/806042126.db2.gz	GTWIQFAHWZZXJT-UHFFFAOYSA-N	-1	0	277.292	0.901	20	10		CCCDRM
CC[C@H](CO)NC(=O)c1cc(=O)n(-c2ccccc2)[n-]1	ZINC001221376924	804793198	/nfs/dbraw/zinc/79/31/98/804793198.db2.gz	LSNBKVXWXBDZMQ-SNVBAGLBSA-N	-1	0	275.308	0.666	20	10		CCCDRM
CC(=O)c1cc(O)c(O)cc1OC(=O)[C@@H](O)CC(=O)[O-]	ZINC001234474226	816671491	/nfs/dbraw/zinc/67/14/91/816671491.db2.gz	PCNBBLOTEVIPCH-VIFPVBQESA-N	-1	0	284.220	0.041	20	10		CCCDRM
CN1CC2(CN(Cc3c([O-])cc(F)cc3F)C2)OCC1=O	ZINC001272616910	816864114	/nfs/dbraw/zinc/86/41/14/816864114.db2.gz	QDNOWMOXAPYPEL-UHFFFAOYSA-N	-1	0	298.289	0.713	20	10		CCCDRM
Cn1nnc(CNCc2cccc(Br)c2[O-])n1	ZINC000398080305	854460927	/nfs/dbraw/zinc/46/09/27/854460927.db2.gz	JRGHBFOKPPKWOH-UHFFFAOYSA-N	-1	0	298.144	0.968	20	10		CCCDRM
C[C@@H](NC(=O)NCc1c(O)cccc1F)c1nnnn1C	ZINC001313378261	908663984	/nfs/dbraw/zinc/66/39/84/908663984.db2.gz	VMZPTIRDPCXRBG-SSDOTTSWSA-N	-1	0	294.290	0.615	20	10		CCCDRM
Cc1ccc(O)c(CNC(=O)NCCC(=O)[O-])c1	ZINC001341368568	922447897	/nfs/dbraw/zinc/44/78/97/922447897.db2.gz	MOGQHPUVMNENSO-UHFFFAOYSA-N	-1	0	252.270	0.975	20	10		CCCDRM
COc1ccc(CNC(=O)[C@@H]2CC(C(=O)[O-])=NO2)c(O)c1	ZINC001594094662	958392564	/nfs/dbraw/zinc/39/25/64/958392564.db2.gz	QVDDDHYSRAFGNJ-NSHDSACASA-N	-1	0	294.263	0.247	20	10		CCCDRM
CN(CC(N)=O)c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-]	ZINC000208558206	959669830	/nfs/dbraw/zinc/66/98/30/959669830.db2.gz	PYGBQDGDVGJVBS-HYXAFXHYSA-N	-1	0	279.252	0.614	20	10		CCCDRM
O=C([O-])[C@@H]1CC[C@H]1C(=O)NCc1ccc(O)cc1O	ZINC001606407715	973857930	/nfs/dbraw/zinc/85/79/30/973857930.db2.gz	FRCOWYASJALIRN-NXEZZACHSA-N	-1	0	265.265	0.825	20	10		CCCDRM
CC(=O)C(=O)COC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1	ZINC001589021673	985012240	/nfs/dbraw/zinc/01/22/40/985012240.db2.gz	SBAKKWIHWFBEFJ-BDAKNGLRSA-N	-1	0	256.254	0.579	20	10		CCCDRM
COC(=O)CN(CC(=O)[O-])Cc1ccc(C)cc1O	ZINC001598861682	996679969	/nfs/dbraw/zinc/67/99/69/996679969.db2.gz	LBXGQRJAHBZUMV-UHFFFAOYSA-N	-1	0	267.281	0.760	20	10		CCCDRM
COCCS(=O)(=O)Nc1ccc(O)cc1C(=O)[O-]	ZINC000042808869	348296135	/nfs/dbraw/zinc/29/61/35/348296135.db2.gz	DONPBXACTNDYOI-UHFFFAOYSA-N	-1	0	275.282	0.479	20	10		CCCDRM
COC(=O)c1cnc(SCc2nc(=O)[n-][nH]2)s1	ZINC000295418402	353893027	/nfs/dbraw/zinc/89/30/27/353893027.db2.gz	XZALYHFYAMIRBR-UHFFFAOYSA-N	-1	0	272.311	0.633	20	10		CCCDRM
O=C1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCN1	ZINC000179592951	327802566	/nfs/dbraw/zinc/80/25/66/327802566.db2.gz	WVTGDBLZHDENJT-UHFFFAOYSA-N	-1	0	285.687	0.886	20	10		CCCDRM
O=C([O-])N1CC[C@@H](NC(=O)C2=CC(=O)CS2)C1	ZINC000740402056	581676634	/nfs/dbraw/zinc/67/66/34/581676634.db2.gz	VOXFBLBRCFVWGQ-ZCFIWIBFSA-N	-1	0	256.283	0.936	20	10		CCCDRM
O=C([O-])N1CCN(CCNC(=O)C2=CC(=O)CS2)CC1	ZINC000740441897	581682277	/nfs/dbraw/zinc/68/22/77/581682277.db2.gz	QNCPLHDISQCLTG-UHFFFAOYSA-N	-1	0	299.352	0.479	20	10		CCCDRM
Cn1nncc1/C=C1\C(=O)[N-]N(c2ccccc2)C1=O	ZINC000751033135	582068884	/nfs/dbraw/zinc/06/88/84/582068884.db2.gz	WNHADOMIEQBACB-YRNVUSSQSA-N	-1	0	269.264	0.277	20	10		CCCDRM
CN(Cc1ccccc1O)C(=O)c1cnc([O-])n(C)c1=O	ZINC000751534606	582084978	/nfs/dbraw/zinc/08/49/78/582084978.db2.gz	JNKXLULXQBYQCM-UHFFFAOYSA-N	-1	0	289.291	0.464	20	10		CCCDRM
COc1cccc(CN2CCOC[C@@H]2C(=O)[O-])c1O	ZINC000088381642	604641360	/nfs/dbraw/zinc/64/13/60/604641360.db2.gz	JYEBVNBXAXMINO-SNVBAGLBSA-N	-1	0	267.281	0.686	20	10		CCCDRM
O=C([O-])C1(O)CCN(C(=O)C2=CC(=O)CS2)CC1	ZINC000833785559	604779005	/nfs/dbraw/zinc/77/90/05/604779005.db2.gz	DBCSASJHMSVNOC-UHFFFAOYSA-N	-1	0	271.294	0.505	20	10		CCCDRM
O=C([O-])N1CC[C@@H](C(=O)NCCc2ccc(O)c(O)c2)C1	ZINC000831699096	605520511	/nfs/dbraw/zinc/52/05/11/605520511.db2.gz	CJBVSOZTMNSYRG-SNVBAGLBSA-N	-1	0	294.307	0.756	20	10		CCCDRM
COc1ccc(N2CC[C@@H](CNC(=O)C(=O)[O-])C2)cc1	ZINC000818992627	617267866	/nfs/dbraw/zinc/26/78/66/617267866.db2.gz	RRXISOUYRLNQSZ-JTQLQIEISA-N	-1	0	278.308	0.722	20	10		CCCDRM
COc1ccc(O)c([C@@H](C)NC(=O)COCC(=O)[O-])c1	ZINC000843329231	617273935	/nfs/dbraw/zinc/27/39/35/617273935.db2.gz	ZYOMZYRNWMUXSI-MRVPVSSYSA-N	-1	0	283.280	0.679	20	10		CCCDRM
COc1cccc(CNC(=O)NC[C@@H](C)C(=O)[O-])c1O	ZINC000848585483	617298606	/nfs/dbraw/zinc/29/86/06/617298606.db2.gz	MITRAKJXEJPFHK-MRVPVSSYSA-N	-1	0	282.296	0.921	20	10		CCCDRM
CCC[C@@H](O)[C@H](CO)NC(=O)c1cccc(O)c1O	ZINC000839816779	615005162	/nfs/dbraw/zinc/00/51/62/615005162.db2.gz	JYQMANUTCPNRFB-VHSXEESVSA-N	-1	0	269.297	0.350	20	10		CCCDRM
CCO[N-]C(=O)CNC(=O)NCc1cccc(OC)c1O	ZINC000845543915	615364985	/nfs/dbraw/zinc/36/49/85/615364985.db2.gz	FTAIONBZSRCYFU-UHFFFAOYSA-N	-1	0	297.311	0.268	20	10		CCCDRM
CCO[N-]C(=O)CNC(=O)N[C@H](C)c1ccccc1O	ZINC000868748236	615366633	/nfs/dbraw/zinc/36/66/33/615366633.db2.gz	OIFHDZDVXWVBCL-SECBINFHSA-N	-1	0	281.312	0.820	20	10		CCCDRM
CCO[N-]C(=O)C[NH2+]Cc1cc(F)cc(F)c1[O-]	ZINC000883158667	615374117	/nfs/dbraw/zinc/37/41/17/615374117.db2.gz	NQBFOHOJYUJCGR-UHFFFAOYSA-N	-1	0	260.240	0.828	20	10		CCCDRM
O=C1NC(=O)N2CCN(Cc3cc(F)cc(F)c3[O-])C[C@@H]12	ZINC000894422954	631762248	/nfs/dbraw/zinc/76/22/48/631762248.db2.gz	LWSAKQBCTFRDJO-JTQLQIEISA-N	-1	0	297.261	0.406	20	10		CCCDRM
NC(=O)C[C@H]1CN(Cc2cc(F)cc(F)c2[O-])CCO1	ZINC000895409887	632076756	/nfs/dbraw/zinc/07/67/56/632076756.db2.gz	AIHPTIYPMJPLEB-JTQLQIEISA-N	-1	0	286.278	0.747	20	10		CCCDRM
Cc1cc(N(C)C)ccc1CNC(=O)CCc1nnn[n-]1	ZINC000865905118	645436266	/nfs/dbraw/zinc/43/62/66/645436266.db2.gz	XLRWRAHIFLARBY-UHFFFAOYSA-N	-1	0	288.355	0.823	20	10		CCCDRM
C[C@H]1C(=O)NCCN1Cc1ccc(F)c(F)c1[O-]	ZINC000876653533	646638258	/nfs/dbraw/zinc/63/82/58/646638258.db2.gz	ZPQUVOREKVQQIL-ZETCQYMHSA-N	-1	0	256.252	0.991	20	10		CCCDRM
O=C([O-])c1cc(NS(=O)(=O)NC2CC2)ccc1O	ZINC000131464993	647511996	/nfs/dbraw/zinc/51/19/96/647511996.db2.gz	DKDDEVCNDVDHBS-UHFFFAOYSA-N	-1	0	272.282	0.499	20	10		CCCDRM
COC(=O)[C@H]1CN(Cc2ccc(C(=O)[O-])cc2O)CCO1	ZINC001231446444	805805088	/nfs/dbraw/zinc/80/50/88/805805088.db2.gz	IZBRZTAHULQIGJ-GFCCVEGCSA-N	-1	0	295.291	0.464	20	10		CCCDRM
O=C([O-])c1ccc(C[NH+]2CC(N3CCOCC3)C2)c(O)c1	ZINC001231452221	805807267	/nfs/dbraw/zinc/80/72/67/805807267.db2.gz	HMEILPCCPQZUNT-UHFFFAOYSA-N	-1	0	292.335	0.607	20	10		CCCDRM
COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3ccc(C(=O)[O-])cc3O)C[C@@H]21	ZINC001231455624	805807652	/nfs/dbraw/zinc/80/76/52/805807652.db2.gz	SBVYYCAMOPYVOP-PJXYFTJBSA-N	-1	0	291.303	0.941	20	10		CCCDRM
CC(=O)N(C)C1CN(Cc2cc(C(=O)[O-])ccc2O)C1	ZINC001231564901	805818750	/nfs/dbraw/zinc/81/87/50/805818750.db2.gz	JNYKGVLODFCEKX-UHFFFAOYSA-N	-1	0	278.308	0.753	20	10		CCCDRM
O=C([O-])c1ccc(O)c(CN2CCn3ncnc3C2)c1	ZINC001231561822	805819011	/nfs/dbraw/zinc/81/90/11/805819011.db2.gz	WAENWQXAMGAZFS-UHFFFAOYSA-N	-1	0	274.280	0.698	20	10		CCCDRM
CN1C(=O)COCC12CN(Cc1c(F)ccc(F)c1[O-])C2	ZINC001273205921	821011100	/nfs/dbraw/zinc/01/11/00/821011100.db2.gz	GABBSGJBBXYSKT-UHFFFAOYSA-N	-1	0	298.289	0.713	20	10		CCCDRM
O=C(C=Cc1ccc(O)c(O)c1)N[C@H]1SC(=O)[N-]C1=O	ZINC001179689131	843032556	/nfs/dbraw/zinc/03/25/56/843032556.db2.gz	FYBCFAPDZYQWDC-FWEMWIAWSA-N	-1	0	294.288	0.536	20	10		CCCDRM
C[C@@H](O)[C@@H](CO)NC(=O)c1cc(O)c([O-])c(Cl)c1	ZINC001193589603	846114561	/nfs/dbraw/zinc/11/45/61/846114561.db2.gz	MZKTZPGPQBGGMC-SVGQVSJJSA-N	-1	0	275.688	0.223	20	10		CCCDRM
C=CC(=O)NCCNC(=O)c1cc(O)c([O-])c(Cl)c1	ZINC001193626367	846129559	/nfs/dbraw/zinc/12/95/59/846129559.db2.gz	VOLQNFWYFCOMJD-UHFFFAOYSA-N	-1	0	284.699	0.783	20	10		CCCDRM
CN(C)C(=O)CN(C)C(=O)c1cc(O)c([O-])c(Cl)c1	ZINC001193602757	846137880	/nfs/dbraw/zinc/13/78/80/846137880.db2.gz	FONSYJWWQFKWHJ-UHFFFAOYSA-N	-1	0	286.715	0.911	20	10		CCCDRM
CN1CC2(CN(Cc3ccc(F)c(F)c3[O-])C2)OCC1=O	ZINC001274030485	848309684	/nfs/dbraw/zinc/30/96/84/848309684.db2.gz	ODGYPOATRZGJBZ-UHFFFAOYSA-N	-1	0	298.289	0.713	20	10		CCCDRM
O=C([O-])CCNC(=O)NCc1c(O)cccc1F	ZINC001353015760	925702545	/nfs/dbraw/zinc/70/25/45/925702545.db2.gz	OZWUDTOEBHMRJB-UHFFFAOYSA-N	-1	0	256.233	0.805	20	10		CCCDRM
O=C([O-])C1(C(=O)NCc2ccc(O)c(O)c2)CCC1	ZINC001594862984	954291670	/nfs/dbraw/zinc/29/16/70/954291670.db2.gz	GQFBIGUNBFPDGV-UHFFFAOYSA-N	-1	0	265.265	0.969	20	10		CCCDRM
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CSCC(=O)[O-]	ZINC001603199492	972302716	/nfs/dbraw/zinc/30/27/16/972302716.db2.gz	FSJOBODBWUKWRX-QMMMGPOBSA-N	-1	0	299.348	0.963	20	10		CCCDRM
COc1ccc(O)c(CNC(=O)[C@H](C)C(=O)[O-])c1	ZINC001594105959	958469161	/nfs/dbraw/zinc/46/91/61/958469161.db2.gz	RUYMQWQLQWXYHD-ZETCQYMHSA-N	-1	0	253.254	0.738	20	10		CCCDRM
CO[C@@H](C(=O)[O-])C(=O)N1Cc2cccc(O)c2C1	ZINC001604424940	973213556	/nfs/dbraw/zinc/21/35/56/973213556.db2.gz	YEBHGGJHRKHZCL-SNVBAGLBSA-N	-1	0	251.238	0.334	20	10		CCCDRM
C[C@@H]1CN(C(=O)c2c(F)ccc(O)c2O)C[C@@H](C(=O)[O-])O1	ZINC001599862016	989183988	/nfs/dbraw/zinc/18/39/88/989183988.db2.gz	KWXINYQVZGLIAJ-MUWHJKNJSA-N	-1	0	299.254	0.551	20	10		CCCDRM
CC(C)(CNC(=O)Cc1ccc(O)c(O)c1)C(=O)[O-]	ZINC001590713521	990468401	/nfs/dbraw/zinc/46/84/01/990468401.db2.gz	LRSVDABTHQITHU-UHFFFAOYSA-N	-1	0	267.281	0.867	20	10		CCCDRM
CO[C@H]1CN(C(=O)Cc2ccc(N)cc2)[C@](C)(C(=O)[O-])C1	ZINC001599133934	998004773	/nfs/dbraw/zinc/00/47/73/998004773.db2.gz	MZKXJEPFVCYCFK-DOMZBBRYSA-N	-1	0	292.335	0.902	20	10		CCCDRM
O=C([O-])CNC(=O)/C=C/c1ccc(N2CCOCC2)cc1	ZINC000238192978	389199928	/nfs/dbraw/zinc/19/99/28/389199928.db2.gz	GQONZCZPDCJYRC-ZZXKWVIFSA-N	-1	0	290.319	0.737	20	10		CCCDRM
O=C(c1cccc(O)c1O)N1CC[C@@H](n2cncn2)C1	ZINC000790947361	581203097	/nfs/dbraw/zinc/20/30/97/581203097.db2.gz	ZMACQNSUMBLOCE-SECBINFHSA-N	-1	0	274.280	0.777	20	10		CCCDRM
COC(=O)C1(CNC(=O)c2cccc(O)c2O)CC1	ZINC000790947379	581203133	/nfs/dbraw/zinc/20/31/33/581203133.db2.gz	ZWKXJKLXJIQNOH-UHFFFAOYSA-N	-1	0	265.265	0.781	20	10		CCCDRM
COCCN(CC(=O)NCc1ccccc1O)C(=O)[O-]	ZINC000739819352	581239909	/nfs/dbraw/zinc/23/99/09/581239909.db2.gz	ZHWIBKVMQAOWBC-UHFFFAOYSA-N	-1	0	282.296	0.635	20	10		CCCDRM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1csnn1	ZINC000728697643	581367923	/nfs/dbraw/zinc/36/79/23/581367923.db2.gz	UTEJWHQBDSTTNM-POHAHGRESA-N	-1	0	272.289	1.000	20	10		CCCDRM
COc1ccc(O)c([C@H](C)NC(=O)c2cc(=O)[nH][n-]2)c1	ZINC000732287272	581817075	/nfs/dbraw/zinc/81/70/75/581817075.db2.gz	SARMFHMEEVJBOU-ZETCQYMHSA-N	-1	0	277.280	0.454	20	10		CCCDRM
Cn1nncc1/C=C1/C(=O)[N-]N(c2ccccc2)C1=O	ZINC000751033134	582068968	/nfs/dbraw/zinc/06/89/68/582068968.db2.gz	WNHADOMIEQBACB-XFFZJAGNSA-N	-1	0	269.264	0.277	20	10		CCCDRM
O=C(C1=CC(=O)CS1)N1CCC[C@H](c2nnn[n-]2)C1	ZINC000765111339	582090268	/nfs/dbraw/zinc/09/02/68/582090268.db2.gz	YVRLVDXZMSWZRC-ZETCQYMHSA-N	-1	0	279.325	0.987	20	10		CCCDRM
O=C([O-])N1CC(OCC(=O)NCc2ccccc2O)C1	ZINC000831533818	603472844	/nfs/dbraw/zinc/47/28/44/603472844.db2.gz	RACNDWWRIRCJAA-UHFFFAOYSA-N	-1	0	280.280	0.387	20	10		CCCDRM
COc1cccc(CN2CCNC(=O)[C@H]2CC(=O)[O-])c1O	ZINC000086815447	604517478	/nfs/dbraw/zinc/51/74/78/604517478.db2.gz	ONHOESNFBWMXCW-SNVBAGLBSA-N	-1	0	294.307	0.176	20	10		CCCDRM
O=C([O-])N1CCOC[C@@H]1C(=O)NCc1ccc(O)c(O)c1	ZINC000834048737	605546959	/nfs/dbraw/zinc/54/69/59/605546959.db2.gz	MRXWAFXTULLOGI-SECBINFHSA-N	-1	0	296.279	0.093	20	10		CCCDRM
CC(C)[C@H](O)C(=O)N(CC(=O)[O-])Cc1ccccc1O	ZINC000911488282	614251137	/nfs/dbraw/zinc/25/11/37/614251137.db2.gz	KGDJDDYONWRNTO-ZDUSSCGKSA-N	-1	0	281.308	0.822	20	10		CCCDRM
COC(=O)C1(O)CN(Cc2cc(Cl)cc(F)c2[O-])C1	ZINC000877768845	616384497	/nfs/dbraw/zinc/38/44/97/616384497.db2.gz	DTHHICHXMBJACD-UHFFFAOYSA-N	-1	0	289.690	0.904	20	10		CCCDRM
O=C1NC(=O)N2CCN(Cc3cc(F)cc(F)c3[O-])C[C@H]12	ZINC000894422955	631761953	/nfs/dbraw/zinc/76/19/53/631761953.db2.gz	LWSAKQBCTFRDJO-SNVBAGLBSA-N	-1	0	297.261	0.406	20	10		CCCDRM
O=C([O-])c1ccc(CN2CC(N3CC(F)C3)C2)c(O)c1	ZINC001231445794	805803509	/nfs/dbraw/zinc/80/35/09/805803509.db2.gz	AYAOHRZJPYRRKT-UHFFFAOYSA-N	-1	0	280.299	0.928	20	10		CCCDRM
C[C@H]1C(=O)N(C)CCN1Cc1cc(C(=O)[O-])ccc1O	ZINC001231565262	805818652	/nfs/dbraw/zinc/81/86/52/805818652.db2.gz	CLDYJKARDZUELY-VIFPVBQESA-N	-1	0	278.308	0.753	20	10		CCCDRM
NC(=O)[C@H]1[C@H]2CC[C@@H]1CN(C(=O)c1cc([O-])[nH]c(=O)c1)C2	ZINC001270175064	813662908	/nfs/dbraw/zinc/66/29/08/813662908.db2.gz	BHWHPGCQZYYCGK-IJBDUVHLSA-N	-1	0	291.307	0.076	20	10		CCCDRM
C[C@@H]1CN(Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)CCO1	ZINC001326488360	913985647	/nfs/dbraw/zinc/98/56/47/913985647.db2.gz	UKMPEZSUACVCBT-MRVPVSSYSA-N	-1	0	292.295	0.354	20	10		CCCDRM
NC(=O)C12CC(NC(=O)c3cc(O)c([O-])c(Cl)c3)(C1)C2	ZINC001276215809	901971096	/nfs/dbraw/zinc/97/10/96/901971096.db2.gz	JFJCUHZYAXREGA-UHFFFAOYSA-N	-1	0	296.710	0.889	20	10		CCCDRM
CN(C)c1ccc(C[NH2+][C@@H](CC(=O)[O-])C(=O)[O-])cc1	ZINC000075423490	948998890	/nfs/dbraw/zinc/99/88/90/948998890.db2.gz	ZUNADBUAFLBOPY-NSHDSACASA-N	-1	0	266.297	0.770	20	10		CCCDRM
O=C([O-])[C@@H](C(=O)NCCc1ccc(O)c(O)c1)C1CC1	ZINC001594833574	954005264	/nfs/dbraw/zinc/00/52/64/954005264.db2.gz	JLTYJCUZJUGYKL-GFCCVEGCSA-N	-1	0	279.292	0.867	20	10		CCCDRM
O=C([O-])C1(O)CCN(C(=O)c2cccc(O)c2O)CC1	ZINC000386625973	972069377	/nfs/dbraw/zinc/06/93/77/972069377.db2.gz	FDDJKBZBQZPZKK-UHFFFAOYSA-N	-1	0	281.264	0.150	20	10		CCCDRM
CO[C@](C)(C(=O)[O-])C(=O)NCc1cc(O)ccc1O	ZINC001593926165	956130299	/nfs/dbraw/zinc/13/02/99/956130299.db2.gz	WZXRHSSVQBIUCE-LBPRGKRZSA-N	-1	0	269.253	0.204	20	10		CCCDRM
CC(=O)C(=O)COC(=O)c1ccc(C(=O)[O-])cc1	ZINC001588486139	958610165	/nfs/dbraw/zinc/61/01/65/958610165.db2.gz	SMNALGMJHCOQGG-UHFFFAOYSA-N	-1	0	250.206	0.700	20	10		CCCDRM
CN(CCC(=O)[O-])S(=O)(=O)NCc1ccccc1O	ZINC000228403090	960012911	/nfs/dbraw/zinc/01/29/11/960012911.db2.gz	JNZICQOYJNHQJP-UHFFFAOYSA-N	-1	0	288.325	0.133	20	10		CCCDRM
CN(Cc1ccccc1O)C(=O)[C@H]1CC(C(=O)[O-])=NO1	ZINC001604189747	972623034	/nfs/dbraw/zinc/62/30/34/972623034.db2.gz	IEHRUIWDWOMKOM-LLVKDONJSA-N	-1	0	278.264	0.580	20	10		CCCDRM
COCCN(CC(=O)[O-])Cc1cc(OC)c(OC)cc1O	ZINC001604593041	973684238	/nfs/dbraw/zinc/68/42/38/973684238.db2.gz	LOBOFMVAUOWVKB-UHFFFAOYSA-N	-1	0	299.323	0.942	20	10		CCCDRM
C[C@@H]1CN(C(=O)Nc2ccc(N)cc2)C[C@@H](C(=O)[O-])O1	ZINC001599860271	989156232	/nfs/dbraw/zinc/15/62/32/989156232.db2.gz	CFKLZIKCTPWISS-KCJUWKMLSA-N	-1	0	279.296	0.975	20	10		CCCDRM
CN(CC(=O)NCCC(=O)[O-])c1ccc2c(c1)OCO2	ZINC001598391477	991628857	/nfs/dbraw/zinc/62/88/57/991628857.db2.gz	GHTZGXYZZCIRFT-UHFFFAOYSA-N	-1	0	280.280	0.442	20	10		CCCDRM
CCN1C(=O)/C(=C/c2cn(CC(=O)[O-])nn2)SC1=S	ZINC000270450155	352934617	/nfs/dbraw/zinc/93/46/17/352934617.db2.gz	UIPMSUBADDSCHN-CLTKARDFSA-N	-1	0	298.349	0.584	20	10		CCCDRM
CO[C@H](C)CS(=O)(=O)Nc1ccc(O)c(C(=O)[O-])c1	ZINC000282269533	353408809	/nfs/dbraw/zinc/40/88/09/353408809.db2.gz	SYSHVSDPBNXZRX-SSDOTTSWSA-N	-1	0	289.309	0.867	20	10		CCCDRM
NC(=O)[C@@H]1CN(Cc2c([O-])ccc(Cl)c2F)CCO1	ZINC000191294648	329411931	/nfs/dbraw/zinc/41/19/31/329411931.db2.gz	OUPLSZRXUVEFRS-JTQLQIEISA-N	-1	0	288.706	0.871	20	10		CCCDRM
O=C([O-])C(=O)NCc1ccc(N2CCC(CO)CC2)cc1	ZINC000274209578	527550103	/nfs/dbraw/zinc/55/01/03/527550103.db2.gz	WCNIITMEUOJBQR-UHFFFAOYSA-N	-1	0	292.335	0.596	20	10		CCCDRM
O=C1NC(=O)N2CCN(Cc3cccc(Cl)c3[O-])C[C@H]12	ZINC000779432387	581185206	/nfs/dbraw/zinc/18/52/06/581185206.db2.gz	FDIOSVYAEQHURA-SNVBAGLBSA-N	-1	0	295.726	0.782	20	10		CCCDRM
Cc1ccc(C(=O)O[C@H](C)C(=O)NCC(=O)[O-])c(O)c1O	ZINC000738546232	582061016	/nfs/dbraw/zinc/06/10/16/582061016.db2.gz	OLLGPHHAJXLRBT-SSDOTTSWSA-N	-1	0	297.263	0.152	20	10		CCCDRM
Cc1ccc(C(=O)NCCCNC(=O)[O-])c(O)c1O	ZINC000830215803	603582522	/nfs/dbraw/zinc/58/25/22/603582522.db2.gz	BYUIRDSVGNNZDX-UHFFFAOYSA-N	-1	0	268.269	0.794	20	10		CCCDRM
CC(C)(NC(=O)[O-])C(=O)NCCc1ccc(O)c(O)c1	ZINC000833461862	614167140	/nfs/dbraw/zinc/16/71/40/614167140.db2.gz	XCIVMXRSQPCPRE-UHFFFAOYSA-N	-1	0	282.296	0.803	20	10		CCCDRM
CO[N-]C(=O)CNC(=O)NCc1cccc(Cl)c1O	ZINC000896703242	617113664	/nfs/dbraw/zinc/11/36/64/617113664.db2.gz	VSEQSINTZWPZQA-UHFFFAOYSA-N	-1	0	287.703	0.522	20	10		CCCDRM
CO[N-]C(=O)CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1	ZINC000922054881	617114598	/nfs/dbraw/zinc/11/45/98/617114598.db2.gz	MTJFHEOJQNXKRY-SNVBAGLBSA-N	-1	0	294.355	0.790	20	10		CCCDRM
O=C1NC(=O)C2(CN(Cc3cc(F)cc(F)c3[O-])C2)N1	ZINC000897900123	633253098	/nfs/dbraw/zinc/25/30/98/633253098.db2.gz	JKDUJLHQYAIKEP-UHFFFAOYSA-N	-1	0	283.234	0.064	20	10		CCCDRM
O=C(c1c(F)ccc(O)c1O)N1CC2(C1)CCNC(=O)O2	ZINC000900767470	634084149	/nfs/dbraw/zinc/08/41/49/634084149.db2.gz	IPDNYSMCBHDMAS-UHFFFAOYSA-N	-1	0	296.254	0.561	20	10		CCCDRM
O=C([O-])CN(Cc1ccccc1O)C(=O)[C@H]1COCCO1	ZINC000911487048	636277665	/nfs/dbraw/zinc/27/76/65/636277665.db2.gz	SMJOEIZWELAVKU-GFCCVEGCSA-N	-1	0	295.291	0.221	20	10		CCCDRM
Cc1cc(O)c(CN2CCN(CC(N)=O)CC2)cc1Cl	ZINC000824542485	641831575	/nfs/dbraw/zinc/83/15/75/641831575.db2.gz	TYNDKOFEYLYYHN-UHFFFAOYSA-N	-1	0	297.786	0.957	20	10		CCCDRM
O=C([O-])COCC(=O)NCCCSc1nccs1	ZINC000844243110	643187596	/nfs/dbraw/zinc/18/75/96/643187596.db2.gz	QXBZVRAGYULHOQ-UHFFFAOYSA-N	-1	0	290.366	0.843	20	10		CCCDRM
Nc1ccc(CC(=O)NC2(C(=O)[O-])CCOCC2)cc1	ZINC000131854446	647529480	/nfs/dbraw/zinc/52/94/80/647529480.db2.gz	BKTHKYRNKWKWIG-UHFFFAOYSA-N	-1	0	278.308	0.561	20	10		CCCDRM
NC(=O)c1n[nH]c2c1CCN(Cc1c(O)cccc1F)C2	ZINC001277484717	805725460	/nfs/dbraw/zinc/72/54/60/805725460.db2.gz	SEIRNEFOPHHVOQ-UHFFFAOYSA-N	-1	0	290.298	0.912	20	10		CCCDRM
CN(C)C(=O)C1C[NH+](Cc2ccc(C(=O)[O-])cc2O)C1	ZINC001231452487	805807058	/nfs/dbraw/zinc/80/70/58/805807058.db2.gz	PXWNEJDJIUJMQW-UHFFFAOYSA-N	-1	0	278.308	0.610	20	10		CCCDRM
NC(=O)c1cnc2n1CCN(Cc1cc(F)ccc1O)C2	ZINC001278255037	806791976	/nfs/dbraw/zinc/79/19/76/806791976.db2.gz	MQFSQQZIUDHZQJ-UHFFFAOYSA-N	-1	0	290.298	0.843	20	10		CCCDRM
O=C(C[N-]S(=O)(=O)C(F)(F)F)c1ccc(O)c(O)c1	ZINC001252386529	807817940	/nfs/dbraw/zinc/81/79/40/807817940.db2.gz	VKJZAVDSMYEKLP-UHFFFAOYSA-N	-1	0	299.226	0.720	20	10		CCCDRM
COC(=O)[C@@H]1C[C@@H](O)CN1Cc1ccc(F)c(F)c1[O-]	ZINC001262010667	809154062	/nfs/dbraw/zinc/15/40/62/809154062.db2.gz	LQSHWTSWZLIPBF-SCZZXKLOSA-N	-1	0	287.262	0.779	20	10		CCCDRM
O=C(NCC1CC(=O)C1)c1cc(=O)n(-c2ccccc2)[n-]1	ZINC001147890062	840705045	/nfs/dbraw/zinc/70/50/45/840705045.db2.gz	XWDDVGXCKFTZJA-UHFFFAOYSA-N	-1	0	285.303	0.875	20	10		CCCDRM
O=C(CNS(=O)(=O)C1CCC1)c1ccc(O)c(O)c1	ZINC001188160816	844849577	/nfs/dbraw/zinc/84/95/77/844849577.db2.gz	MWOGFTWWYDRWFO-UHFFFAOYSA-N	-1	0	285.321	0.752	20	10		CCCDRM
COc1cc(C(=O)NC2C(=O)N=CN=C2[O-])cc(O)c1O	ZINC001193089059	845974656	/nfs/dbraw/zinc/97/46/56/845974656.db2.gz	KNRJUVKSTALMCU-UHFFFAOYSA-N	-1	0	293.235	0.560	20	10		CCCDRM
O=C(NC1(CCO)COC1)c1cc(O)c([O-])c(Cl)c1	ZINC001193625607	846128196	/nfs/dbraw/zinc/12/81/96/846128196.db2.gz	KWFUVKNREBSLDZ-UHFFFAOYSA-N	-1	0	287.699	0.632	20	10		CCCDRM
COC(=O)CNC(=O)c1cc(O)c([O-])c(Cl)c1	ZINC001193626609	846130247	/nfs/dbraw/zinc/13/02/47/846130247.db2.gz	XZMMADYLBDYCRV-UHFFFAOYSA-N	-1	0	259.645	0.654	20	10		CCCDRM
Cn1[n-]c(C(=O)NCc2c(O)cccc2O)cc1=O	ZINC001156885869	903764677	/nfs/dbraw/zinc/76/46/77/903764677.db2.gz	PUHLLEIUHHMJLR-UHFFFAOYSA-N	-1	0	263.253	0.467	20	10		CCCDRM
O=C([O-])[C@@H](CO)[NH2+]Cc1c([O-])ccc(Cl)c1F	ZINC001332032009	917813715	/nfs/dbraw/zinc/81/37/15/917813715.db2.gz	GLYUBMWHYCJUJI-SSDOTTSWSA-N	-1	0	263.652	0.720	20	10		CCCDRM
COC(=O)[C@H]1C[C@H](O)CN1Cc1cc(F)cc(F)c1[O-]	ZINC001350318980	925169142	/nfs/dbraw/zinc/16/91/42/925169142.db2.gz	ATBOFJFVFCJFAI-GXSJLCMTSA-N	-1	0	287.262	0.779	20	10		CCCDRM
O=C([O-])[C@@]1(C(=O)N2Cc3cccc(O)c3C2)CCCO1	ZINC001594851826	954201545	/nfs/dbraw/zinc/20/15/45/954201545.db2.gz	ISRRPIDOEKDFJK-AWEZNQCLSA-N	-1	0	277.276	0.868	20	10		CCCDRM
O=C([O-])C[C@@H]1C(=O)NCCN1Cc1ccccc1O	ZINC000086815490	957995280	/nfs/dbraw/zinc/99/52/80/957995280.db2.gz	BZTCBJZNNVAXJO-SNVBAGLBSA-N	-1	0	264.281	0.167	20	10		CCCDRM
COc1ccc(CN2CCO[C@@H](C(=O)[O-])C2)c(O)c1OC	ZINC001594094740	958394160	/nfs/dbraw/zinc/39/41/60/958394160.db2.gz	VYLVTGPSKSVMFB-LLVKDONJSA-N	-1	0	297.307	0.695	20	10		CCCDRM
COc1ccc(O)c(CNC(=O)[C@H](OC)C(=O)[O-])c1	ZINC001594106496	958471551	/nfs/dbraw/zinc/47/15/51/958471551.db2.gz	WWEDEFMTMCCCIG-JTQLQIEISA-N	-1	0	269.253	0.117	20	10		CCCDRM
COc1cccc(CNC(=O)[C@]2(C(=O)[O-])CCCO2)c1O	ZINC001594128580	958651461	/nfs/dbraw/zinc/65/14/61/958651461.db2.gz	YOLFRSUIUGPLBL-AWEZNQCLSA-N	-1	0	295.291	0.651	20	10		CCCDRM
C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NCCc1ccc(O)c(O)c1	ZINC001594226411	959430794	/nfs/dbraw/zinc/43/07/94/959430794.db2.gz	LHQZERCFRWIINL-CLAHSXSESA-N	-1	0	279.292	0.867	20	10		CCCDRM
CCN1CC(=O)N[C@@H]1c1cc([N+](=O)[O-])ccc1[O-]	ZINC000189891019	285182003	/nfs/dbraw/zinc/18/20/03/285182003.db2.gz	LDYGXPJYZYIUAC-NSHDSACASA-N	-1	0	251.242	0.751	20	10		CCCDRM
COc1ccc(N2CCC(N=c3nn[n-]n3C)CC2)cc1	ZINC000730805105	581736204	/nfs/dbraw/zinc/73/62/04/581736204.db2.gz	QBINTFVPAJKZEK-UHFFFAOYSA-N	-1	0	288.355	0.722	20	10		CCCDRM
O=C(CSc1n[nH]c(=O)[n-]1)c1ccc(O)c(O)c1	ZINC000772225970	581847715	/nfs/dbraw/zinc/84/77/15/581847715.db2.gz	KWJAHJDAFCZBDH-UHFFFAOYSA-N	-1	0	267.266	0.897	20	10		CCCDRM
C[C@@H](NC(=O)[O-])C(=O)NCCc1ccc(O)c(O)c1	ZINC000825185916	605518553	/nfs/dbraw/zinc/51/85/53/605518553.db2.gz	KFHIBCGXZVACPC-SSDOTTSWSA-N	-1	0	268.269	0.413	20	10		CCCDRM
O=C([O-])N[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1	ZINC000834187502	605698399	/nfs/dbraw/zinc/69/83/99/605698399.db2.gz	YLIPYLYKAXZDTK-YWNRKNDBSA-N	-1	0	292.291	0.980	20	10		CCCDRM
CC(=O)c1cc(F)cc(CN2C[C@H](O)C[C@H]2C(=O)[O-])c1O	ZINC000825946854	614249460	/nfs/dbraw/zinc/24/94/60/614249460.db2.gz	TWCWBBCLEGKWHQ-PWSUYJOCSA-N	-1	0	297.282	0.754	20	10		CCCDRM
CC(C)n1[nH]cnc1=NC(=O)c1cccc(O)c1[O-]	ZINC000839927506	614350202	/nfs/dbraw/zinc/35/02/02/614350202.db2.gz	PMWZUHWLNGRIGO-UHFFFAOYSA-N	-1	0	262.269	0.944	20	10		CCCDRM
CN(C)c1ccc(CNC(=O)CCc2nnn[n-]2)cc1	ZINC000864576322	616014326	/nfs/dbraw/zinc/01/43/26/616014326.db2.gz	XPJKZFMSJKDBNR-UHFFFAOYSA-N	-1	0	274.328	0.515	20	10		CCCDRM
CN(Cc1ccccc1O)C(=O)[C@@H]1COCCN1C(=O)[O-]	ZINC000828399921	616170837	/nfs/dbraw/zinc/17/08/37/616170837.db2.gz	JRHLVKLBHJNABP-NSHDSACASA-N	-1	0	294.307	0.729	20	10		CCCDRM
COC(=O)[C@@]1(O)CC[N@H+](Cc2cc(F)cc(F)c2[O-])C1	ZINC000895702130	616560919	/nfs/dbraw/zinc/56/09/19/616560919.db2.gz	HUTQVMCEDJXHQA-CYBMUJFWSA-N	-1	0	287.262	0.780	20	10		CCCDRM
[O-]c1c(F)cc(F)cc1CN1CCn2nnc(CO)c2C1	ZINC000894808073	631832098	/nfs/dbraw/zinc/83/20/98/631832098.db2.gz	GHOAQSZXLMQZDI-UHFFFAOYSA-N	-1	0	296.277	0.770	20	10		CCCDRM
C[C@H](O)C(=O)N(CC(=O)[O-])Cc1ccccc1O	ZINC000911484256	636276446	/nfs/dbraw/zinc/27/64/46/636276446.db2.gz	MAMPQKTZMNMSLH-QMMMGPOBSA-N	-1	0	253.254	0.186	20	10		CCCDRM
C[C@@H]1CN(Cc2ccc(F)c(F)c2[O-])CC(=O)N1	ZINC000877567884	646824908	/nfs/dbraw/zinc/82/49/08/646824908.db2.gz	SMUQMZCLSYJULN-SSDOTTSWSA-N	-1	0	256.252	0.991	20	10		CCCDRM
NC(=O)C1=NO[C@@H]2CN(Cc3cc(Cl)ccc3O)C[C@H]12	ZINC001277456837	805604259	/nfs/dbraw/zinc/60/42/59/805604259.db2.gz	DAEPXXUAMBEBHR-GXSJLCMTSA-N	-1	0	295.726	0.718	20	10		CCCDRM
COC(=O)c1cc(O)c(F)cc1[N-]S(C)(=O)=O	ZINC001252727477	807951199	/nfs/dbraw/zinc/95/11/99/807951199.db2.gz	VRVFSMUVUCIYTM-UHFFFAOYSA-N	-1	0	263.246	0.689	20	10		CCCDRM
Cn1cnc(S(=O)(=O)[N-]c2ccc(O)cc2O)c1	ZINC001258993374	808708842	/nfs/dbraw/zinc/70/88/42/808708842.db2.gz	RYLWVDYDGCOLOM-UHFFFAOYSA-N	-1	0	269.282	0.632	20	10		CCCDRM
CN1CCC12CN(C(=O)c1cc(=O)n(-c3ccccc3)[n-]1)C2	ZINC001270389838	813742694	/nfs/dbraw/zinc/74/26/94/813742694.db2.gz	XMDIXGWGWXAKLR-UHFFFAOYSA-N	-1	0	298.346	0.696	20	10		CCCDRM
O=C1NC[C@H]2CN(Cc3cc(F)cc(F)c3[O-])CCN12	ZINC000708434074	819775252	/nfs/dbraw/zinc/77/52/52/819775252.db2.gz	OAHWLZBGXFXMFQ-JTQLQIEISA-N	-1	0	283.278	0.880	20	10		CCCDRM
Cn1cnc(CCNC(=O)c2cc(O)c(O)c(O)c2)c1	ZINC000170190752	839387309	/nfs/dbraw/zinc/38/73/09/839387309.db2.gz	GNXNQQBSQNJGSL-UHFFFAOYSA-N	-1	0	277.280	0.509	20	10		CCCDRM
O=C(N[C@H]1COCC[C@@H]1O)c1cc(O)c([O-])c(Cl)c1	ZINC001193625260	846128785	/nfs/dbraw/zinc/12/87/85/846128785.db2.gz	FONQMBBKTHFZAY-IUCAKERBSA-N	-1	0	287.699	0.631	20	10		CCCDRM
O=C(NC[C@@H]1CCC(=O)N1)c1cc(O)c([O-])c(Cl)c1	ZINC001193625853	846129788	/nfs/dbraw/zinc/12/97/88/846129788.db2.gz	MYSHXVBKAAKCQR-ZETCQYMHSA-N	-1	0	284.699	0.760	20	10		CCCDRM
CN1C(=O)COCC12CN(Cc1ccc(F)c(F)c1[O-])C2	ZINC001274030433	848309716	/nfs/dbraw/zinc/30/97/16/848309716.db2.gz	MRXCGCPVPIXJCS-UHFFFAOYSA-N	-1	0	298.289	0.713	20	10		CCCDRM
COC[C@H](C)S(=O)(=O)Nc1ccc(O)c(C(=O)[O-])c1	ZINC000399671650	854521649	/nfs/dbraw/zinc/52/16/49/854521649.db2.gz	DVIYTUQUTLSKAE-ZETCQYMHSA-N	-1	0	289.309	0.867	20	10		CCCDRM
CO[C@@](C)(C(=O)[O-])C(=O)N1Cc2cccc(O)c2C1	ZINC001593924924	956107842	/nfs/dbraw/zinc/10/78/42/956107842.db2.gz	DRPOBQNOTJIIBN-CYBMUJFWSA-N	-1	0	265.265	0.724	20	10		CCCDRM
COc1cccc(CNC(=O)[C@H](OC)C(=O)[O-])c1O	ZINC001594128569	958652207	/nfs/dbraw/zinc/65/22/07/958652207.db2.gz	XGUPNLNQDSKSOH-JTQLQIEISA-N	-1	0	269.253	0.117	20	10		CCCDRM
O=C([O-])CCCS(=O)(=O)NCc1ccccc1O	ZINC000228403158	960013150	/nfs/dbraw/zinc/01/31/50/960013150.db2.gz	VXMYCBFKIWVEJD-UHFFFAOYSA-N	-1	0	273.310	0.676	20	10		CCCDRM
CN(C)c1ccc(OC[C@H]2CNC(=O)O2)cc1C(=O)[O-]	ZINC001598328718	991355248	/nfs/dbraw/zinc/35/52/48/991355248.db2.gz	ZHUOXENFFSHHPO-SECBINFHSA-N	-1	0	280.280	0.938	20	10		CCCDRM
O=C(NCCN1CCOCC1)c1cccc(O)c1O	ZINC000126226642	260346793	/nfs/dbraw/zinc/34/67/93/260346793.db2.gz	VJFXANPKVSAJGV-UHFFFAOYSA-N	-1	0	266.297	0.160	20	10		CCCDRM
Cn1nnc(CNCc2cc(Cl)cc([N+](=O)[O-])c2[O-])n1	ZINC000785617880	581413433	/nfs/dbraw/zinc/41/34/33/581413433.db2.gz	ZAJIYSMYMPZFPT-UHFFFAOYSA-N	-1	0	298.690	0.767	20	10		CCCDRM
O=C([O-])c1ncn(CC(=O)c2ccc(O)c(O)c2)n1	ZINC000739361613	581540465	/nfs/dbraw/zinc/54/04/65/581540465.db2.gz	NAXADYHRUMYEAF-UHFFFAOYSA-N	-1	0	263.209	0.270	20	10		CCCDRM
C[C@H]1COCCN1CCNC(=O)C1=CC(=O)CS1	ZINC000732286273	581817168	/nfs/dbraw/zinc/81/71/68/581817168.db2.gz	BMVUAHYYDQFIKM-VIFPVBQESA-N	-1	0	270.354	0.904	20	10		CCCDRM
O=C([O-])CSCC(=O)NCc1ccccc1O	ZINC000228402511	597104307	/nfs/dbraw/zinc/10/43/07/597104307.db2.gz	PSPPLLBZMIWWML-UHFFFAOYSA-N	-1	0	255.295	0.826	20	10		CCCDRM
O=C([O-])[C@@H]1CN(Cc2cc(F)ccc2O)CCO1	ZINC000236439753	598211229	/nfs/dbraw/zinc/21/12/29/598211229.db2.gz	QXLWZMZQRVFCRC-NSHDSACASA-N	-1	0	255.245	0.817	20	10		CCCDRM
O=C([O-])NCCCNC(=O)/C=C/c1ccc(O)c(O)c1	ZINC000834237561	605694598	/nfs/dbraw/zinc/69/45/98/605694598.db2.gz	HVKSZAOCKOEFIC-HWKANZROSA-N	-1	0	280.280	0.885	20	10		CCCDRM
O=C([O-])N1CC(CNC(=O)NCc2ccccc2O)C1	ZINC000834044534	605738489	/nfs/dbraw/zinc/73/84/89/605738489.db2.gz	IWGANCJRBQPWAS-UHFFFAOYSA-N	-1	0	279.296	0.801	20	10		CCCDRM
COc1ccc(CNC(=O)NC[C@H](C)C(=O)[O-])c(O)c1	ZINC000848588186	617254589	/nfs/dbraw/zinc/25/45/89/617254589.db2.gz	PZYDIWWTPIPLJA-QMMMGPOBSA-N	-1	0	282.296	0.921	20	10		CCCDRM
COc1ccc(N2CC[C@@H](N=c3nn[n-]n3C)C2)cc1	ZINC000853759633	617267855	/nfs/dbraw/zinc/26/78/55/617267855.db2.gz	YNNDXXFAGIAHJH-SNVBAGLBSA-N	-1	0	274.328	0.331	20	10		CCCDRM
CN(C)c1ccc(CNC(=O)NCCOCC(=O)[O-])cc1	ZINC000874382870	616014795	/nfs/dbraw/zinc/01/47/95/616014795.db2.gz	KRDCGBLOSORACN-UHFFFAOYSA-N	-1	0	295.339	0.653	20	10		CCCDRM
CN(C)c1ccc(CNC(=O)COCC(=O)[O-])cc1	ZINC000041072811	616014979	/nfs/dbraw/zinc/01/49/79/616014979.db2.gz	QPNORKHAJBVXEF-UHFFFAOYSA-N	-1	0	266.297	0.470	20	10		CCCDRM
CO[C@@](C)(C(=O)[O-])C(=O)N(C)Cc1ccccc1O	ZINC000852947892	616899649	/nfs/dbraw/zinc/89/96/49/616899649.db2.gz	RCEOLLBTVBSGSA-CYBMUJFWSA-N	-1	0	267.281	0.840	20	10		CCCDRM
CO[N-]C(=O)CNC(=O)N(C)Cc1ccccc1O	ZINC000927207317	617111135	/nfs/dbraw/zinc/11/11/35/617111135.db2.gz	REHSHTPFLCHGOR-UHFFFAOYSA-N	-1	0	267.285	0.211	20	10		CCCDRM
CO[N-]C(=O)CNC(=O)NCc1ccc(N(C)C)cc1C	ZINC000919082200	617113677	/nfs/dbraw/zinc/11/36/77/617113677.db2.gz	XFJKJDDPYFYZSB-UHFFFAOYSA-N	-1	0	294.355	0.538	20	10		CCCDRM
NC(=O)C[C@@H]1CN(Cc2cc(F)cc(F)c2[O-])CCO1	ZINC000895409889	632076462	/nfs/dbraw/zinc/07/64/62/632076462.db2.gz	AIHPTIYPMJPLEB-SNVBAGLBSA-N	-1	0	286.278	0.747	20	10		CCCDRM
Cn1ncnc1C1(O)CN(Cc2cccc(Cl)c2[O-])C1	ZINC000895619135	632110543	/nfs/dbraw/zinc/11/05/43/632110543.db2.gz	SEKRZSSYABWOEW-UHFFFAOYSA-N	-1	0	294.742	0.878	20	10		CCCDRM
O=C([O-])CN(Cc1cc(Cl)ccc1O)C(=O)CO	ZINC000911360405	636235845	/nfs/dbraw/zinc/23/58/45/636235845.db2.gz	RVGXREPMEPACLQ-UHFFFAOYSA-N	-1	0	273.672	0.451	20	10		CCCDRM
CN(C)c1ccc(CNC(=O)c2cc(=O)[nH][n-]2)cc1	ZINC000169919983	637065131	/nfs/dbraw/zinc/06/51/31/637065131.db2.gz	PPRLGAPSUYPHJP-UHFFFAOYSA-N	-1	0	260.297	0.245	20	10		CCCDRM
Cc1n[nH]nc1C(=O)OCC(=O)c1ccc(O)c(O)c1	ZINC000805546040	640402668	/nfs/dbraw/zinc/40/26/68/640402668.db2.gz	CQURFFJAEDEOMG-UHFFFAOYSA-N	-1	0	277.236	0.564	20	10		CCCDRM
O=C(CCCc1nnn[n-]1)N1Cc2cccc(O)c2C1	ZINC000825355976	641883421	/nfs/dbraw/zinc/88/34/21/641883421.db2.gz	FZERNHMMFGTPQE-UHFFFAOYSA-N	-1	0	273.296	0.770	20	10		CCCDRM
O=C([O-])c1cnn2c1[nH]c(CN1CC=CCC1)cc2=O	ZINC000846236358	643391079	/nfs/dbraw/zinc/39/10/79/643391079.db2.gz	RQVPHUUQNACPDM-UHFFFAOYSA-N	-1	0	274.280	0.895	20	10		CCCDRM
C[C@H](CNC(=O)C(=O)N(C)Cc1ccccc1O)C(=O)[O-]	ZINC000848611094	643663076	/nfs/dbraw/zinc/66/30/76/643663076.db2.gz	RQDJBIWGRMMYTC-SECBINFHSA-N	-1	0	294.307	0.188	20	10		CCCDRM
NC(=O)[C@@H]1C[C@@H](O)CN1Cc1ccc(F)c(F)c1[O-]	ZINC000864051877	645154183	/nfs/dbraw/zinc/15/41/83/645154183.db2.gz	UOXUMAYIGBRSDJ-APPZFPTMSA-N	-1	0	272.251	0.091	20	10		CCCDRM
[O-]c1c(CN2CCO[C@@H](CO)C2)ccc(F)c1F	ZINC000876724631	646650228	/nfs/dbraw/zinc/65/02/28/646650228.db2.gz	DEAQDQJBLDLGSX-SECBINFHSA-N	-1	0	259.252	0.864	20	10		CCCDRM
CNC(=O)NC1CCN(C(=O)c2cccc(O)c2O)CC1	ZINC000396863379	790555429	/nfs/dbraw/zinc/55/54/29/790555429.db2.gz	YMTSJEZKMAJRFF-UHFFFAOYSA-N	-1	0	293.323	0.631	20	10		CCCDRM
COC(=O)N1CCN(Cc2ccc(C(=O)[O-])cc2O)CC1	ZINC001231446399	805803864	/nfs/dbraw/zinc/80/38/64/805803864.db2.gz	IEHOTDDXTBJAJA-UHFFFAOYSA-N	-1	0	294.307	0.974	20	10		CCCDRM
COC(=O)CN1CCN(Cc2cccc(F)c2O)CC1	ZINC001138127681	799703176	/nfs/dbraw/zinc/70/31/76/799703176.db2.gz	LVRPCFBURHWJCD-UHFFFAOYSA-N	-1	0	282.315	0.822	20	10		CCCDRM
O=C(NCCN1CCCCC1=O)c1cccc(O)c1O	ZINC000405929874	803896677	/nfs/dbraw/zinc/89/66/77/803896677.db2.gz	GJZPPCIXBQSEGK-UHFFFAOYSA-N	-1	0	278.308	0.840	20	10		CCCDRM
Cc1nonc1CNC(=O)c1cc(=O)n(-c2ccccc2)[n-]1	ZINC001147888012	840703590	/nfs/dbraw/zinc/70/35/90/840703590.db2.gz	UQIGUYVGCIYOIR-UHFFFAOYSA-N	-1	0	299.290	0.787	20	10		CCCDRM
O=C(CCC1OCCO1)NCC(=O)c1ccc(O)c(O)c1	ZINC001182732217	843908439	/nfs/dbraw/zinc/90/84/39/843908439.db2.gz	HPCKAWUWWSVGPK-UHFFFAOYSA-N	-1	0	295.291	0.550	20	10		CCCDRM
CCOC(=O)CS(=O)(=O)[N-]c1cccc(O)c1O	ZINC001195973847	846657222	/nfs/dbraw/zinc/65/72/22/846657222.db2.gz	ZTWQOCTWLCVCCY-UHFFFAOYSA-N	-1	0	275.282	0.403	20	10		CCCDRM
[O-]c1c(F)ccc(F)c1CN1CCO[C@H](CO)C1	ZINC001139683184	855681344	/nfs/dbraw/zinc/68/13/44/855681344.db2.gz	AZQWGVLTOJEWCZ-QMMMGPOBSA-N	-1	0	259.252	0.864	20	10		CCCDRM
O=C([O-])[C@@H](CCO)[NH2+]Cc1cc(F)cc(F)c1[O-]	ZINC001353953214	925972598	/nfs/dbraw/zinc/97/25/98/925972598.db2.gz	AHEHCWRBUJKNIB-SECBINFHSA-N	-1	0	261.224	0.596	20	10		CCCDRM
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)COCC(=O)[O-]	ZINC001592883093	979757205	/nfs/dbraw/zinc/75/72/05/979757205.db2.gz	LGISQGFDDVHPQC-MRVPVSSYSA-N	-1	0	283.280	0.246	20	10		CCCDRM
CN(CC(=O)NCCC(=O)[O-])c1ccc(N)cc1	ZINC001598391567	991631745	/nfs/dbraw/zinc/63/17/45/991631745.db2.gz	NHECSYKQHJIEJM-UHFFFAOYSA-N	-1	0	251.286	0.296	20	10		CCCDRM
O=C([O-])C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	ZINC000274131316	353114945	/nfs/dbraw/zinc/11/49/45/353114945.db2.gz	FDUUUAULIJITFN-LLVKDONJSA-N	-1	0	279.292	0.984	20	10		CCCDRM
CCN(C)S(=O)(=O)Nc1ccc(O)c(C(=O)[O-])c1	ZINC000268151308	389376468	/nfs/dbraw/zinc/37/64/68/389376468.db2.gz	UWVCAPNLTTVTNI-UHFFFAOYSA-N	-1	0	274.298	0.699	20	10		CCCDRM
O=C([O-])c1cc(O)ccc1NS(=O)(=O)N1CCCC1	ZINC000048847216	526354640	/nfs/dbraw/zinc/35/46/40/526354640.db2.gz	JXSMJPUJXWWWOO-UHFFFAOYSA-N	-1	0	286.309	0.843	20	10		CCCDRM
NC(=O)Cn1cc(NC(=O)c2c(F)ccc(O)c2[O-])cn1	ZINC000789956938	581166576	/nfs/dbraw/zinc/16/65/76/581166576.db2.gz	LAXJVMQXTPFRGJ-UHFFFAOYSA-N	-1	0	294.242	0.171	20	10		CCCDRM
CCOc1ccc(CN2CCN(C(=O)CO)CC2)c(O)c1	ZINC000793594833	581304234	/nfs/dbraw/zinc/30/42/34/581304234.db2.gz	SCKLLMKTHKHFSY-UHFFFAOYSA-N	-1	0	294.351	0.427	20	10		CCCDRM
O=C([O-])N1CC[C@@H](NC(=O)NCc2ccccc2O)C1	ZINC000740450826	581683170	/nfs/dbraw/zinc/68/31/70/581683170.db2.gz	SMSQOGXUBWNPTD-SNVBAGLBSA-N	-1	0	279.296	0.944	20	10		CCCDRM
CN(C)c1ccc(CN(C)C(=O)c2cc(=O)[nH][n-]2)cc1	ZINC000731864024	581784185	/nfs/dbraw/zinc/78/41/85/581784185.db2.gz	JFRRZNUKVGVIMG-UHFFFAOYSA-N	-1	0	274.324	0.587	20	10		CCCDRM
CC(=O)C(=O)Cn1[n-]c(=O)c(Cl)c(Cl)c1=O	ZINC000918242935	613661948	/nfs/dbraw/zinc/66/19/48/613661948.db2.gz	HHFVDWFFDCPORP-UHFFFAOYSA-N	-1	0	265.052	0.414	20	10		CCCDRM
O=C([O-])CN(Cc1ccccc1O)C(=O)[C@H]1CCCO1	ZINC000911485338	636276539	/nfs/dbraw/zinc/27/65/39/636276539.db2.gz	YBJFYZGWHOWAOO-GFCCVEGCSA-N	-1	0	279.292	0.984	20	10		CCCDRM
Cc1cc(O)c(CN2CCNC(=O)[C@H]2CC(=O)[O-])cc1C	ZINC000833747038	642541722	/nfs/dbraw/zinc/54/17/22/642541722.db2.gz	PHIIPMIBFQULRE-GFCCVEGCSA-N	-1	0	292.335	0.784	20	10		CCCDRM
CS(=O)(=O)[C@@H]1CCN(Cc2cc(C(=O)[O-])ccc2O)C1	ZINC001231565437	805817579	/nfs/dbraw/zinc/81/75/79/805817579.db2.gz	WNFVJPJHHITKAP-LLVKDONJSA-N	-1	0	299.348	0.709	20	10		CCCDRM
Cn1ccc(-c2cncc(-c3nn[nH]n3)c2)cc1=O	ZINC001240989178	806961235	/nfs/dbraw/zinc/96/12/35/806961235.db2.gz	RGAMSDUBOXGXDM-UHFFFAOYSA-N	-1	0	254.253	0.627	20	10		CCCDRM
COCCn1ccc(-c2cnn(CC(=O)[O-])c2)cc1=O	ZINC001242187928	806997483	/nfs/dbraw/zinc/99/74/83/806997483.db2.gz	ZLIDBJBFTKIPLO-UHFFFAOYSA-N	-1	0	277.280	0.443	20	10		CCCDRM
CN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)c1cc([O-])[nH]c(=O)c1	ZINC001269381891	813350236	/nfs/dbraw/zinc/35/02/36/813350236.db2.gz	WWLBSJXQUNVXQK-NXEZZACHSA-N	-1	0	291.307	0.328	20	10		CCCDRM
NC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NC(=O)c1cc([O-])[nH]c(=O)c1	ZINC001270176035	813664055	/nfs/dbraw/zinc/66/40/55/813664055.db2.gz	LICKYAHERJOOAJ-RQJHRRTKSA-N	-1	0	291.307	0.123	20	10		CCCDRM
O=C(N[C@H]1C[C@H](O)C1)c1cc(=O)n(-c2ccccc2)[n-]1	ZINC001147889235	840703480	/nfs/dbraw/zinc/70/34/80/840703480.db2.gz	CMCGZWDAONAJJS-HOMQSWHASA-N	-1	0	273.292	0.419	20	10		CCCDRM
CC(=O)CN(C)C(=O)c1cc(=O)n(-c2ccccc2)[n-]1	ZINC001147880775	840715544	/nfs/dbraw/zinc/71/55/44/840715544.db2.gz	HDWNXMMEXBEVCN-UHFFFAOYSA-N	-1	0	273.292	0.827	20	10		CCCDRM
O=C(N[C@H]1CCC(=O)NC1=O)c1cc(O)c([O-])c(Cl)c1	ZINC001193625298	846128243	/nfs/dbraw/zinc/12/82/43/846128243.db2.gz	GURQAFQORXYUOQ-ZETCQYMHSA-N	-1	0	298.682	0.286	20	10		CCCDRM
O=C(NCc1cn[nH]n1)c1cc(O)c([O-])c(Cl)c1	ZINC001193625352	846129040	/nfs/dbraw/zinc/12/90/40/846129040.db2.gz	HHTRDELUVQGDCG-UHFFFAOYSA-N	-1	0	268.660	0.799	20	10		CCCDRM
O=C([O-])COCC(=O)NCc1cccc(Cl)c1O	ZINC001595107165	951883599	/nfs/dbraw/zinc/88/35/99/951883599.db2.gz	LLXVHQLERYJAOF-UHFFFAOYSA-N	-1	0	273.672	0.763	20	10		CCCDRM
O=C([O-])[C@H]1COCCN1Cc1cc(F)ccc1O	ZINC000236434585	960594584	/nfs/dbraw/zinc/59/45/84/960594584.db2.gz	BSFBDVNZOQBVTF-SNVBAGLBSA-N	-1	0	255.245	0.817	20	10		CCCDRM
C[C@@H](CS(=O)(=O)NCc1ccc(O)cc1O)C(=O)[O-]	ZINC001592817271	979520514	/nfs/dbraw/zinc/52/05/14/979520514.db2.gz	ZJIGYHCTPSXWHE-ZETCQYMHSA-N	-1	0	289.309	0.238	20	10		CCCDRM
CC(=O)C(=O)COC(=O)c1ccccc1C(=O)[O-]	ZINC001589020642	985007954	/nfs/dbraw/zinc/00/79/54/985007954.db2.gz	DOVUIKYLJMNQBA-UHFFFAOYSA-N	-1	0	250.206	0.700	20	10		CCCDRM
CN1CN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC1=O	ZINC001598627644	994123989	/nfs/dbraw/zinc/12/39/89/994123989.db2.gz	DCPPAKYMACLYJP-HWKANZROSA-N	-1	0	291.263	0.929	20	10		CCCDRM
CO[C@H]1CN(C(=O)Cc2ccc(N)cc2)[C@@](C)(C(=O)[O-])C1	ZINC001599133935	998003873	/nfs/dbraw/zinc/00/38/73/998003873.db2.gz	MZKXJEPFVCYCFK-IUODEOHRSA-N	-1	0	292.335	0.902	20	10		CCCDRM
C[C@@H]1OCC[C@@]1(O)CNC(=O)c1c(F)ccc(O)c1O	ZINC000296389550	353945205	/nfs/dbraw/zinc/94/52/05/353945205.db2.gz	SNHCFDAMSAENFD-WPPNPWJKSA-N	-1	0	285.271	0.507	20	10		CCCDRM
O=C(c1c(F)ccc(O)c1O)N1CCC[C@@H](OCCO)C1	ZINC000295268675	388997840	/nfs/dbraw/zinc/99/78/40/388997840.db2.gz	JITDKWOIIGVDBB-SECBINFHSA-N	-1	0	299.298	0.850	20	10		CCCDRM
CC[C@]1(C)NC(=O)N([N-]C(=O)c2cccc(O)c2O)C1=O	ZINC000279043481	523603463	/nfs/dbraw/zinc/60/34/63/523603463.db2.gz	CTVYYVPQPQQWAY-ZDUSSCGKSA-N	-1	0	293.279	0.463	20	10		CCCDRM
Cn1cc(CNCc2cc([N+](=O)[O-])ccc2[O-])nn1	ZINC000742369175	581107111	/nfs/dbraw/zinc/10/71/11/581107111.db2.gz	XTVSSSCFVKNGLU-UHFFFAOYSA-N	-1	0	263.257	0.719	20	10		CCCDRM
O=C1NC(=O)N2CCN(Cc3cccc(Cl)c3[O-])C[C@@H]12	ZINC000779432385	581185445	/nfs/dbraw/zinc/18/54/45/581185445.db2.gz	FDIOSVYAEQHURA-JTQLQIEISA-N	-1	0	295.726	0.782	20	10		CCCDRM
C[C@H](NCc1nnn(C)n1)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000787034495	581456365	/nfs/dbraw/zinc/45/63/65/581456365.db2.gz	ZECKTYTWEYUBED-ZETCQYMHSA-N	-1	0	278.272	0.675	20	10		CCCDRM
O=C([O-])/C=C\c1ccc(N(CCO)CCO)c([N+](=O)[O-])c1	ZINC000739622462	581582750	/nfs/dbraw/zinc/58/27/50/581582750.db2.gz	BJFAGNLAZPWCDU-RQOWECAXSA-N	-1	0	296.279	0.484	20	10		CCCDRM
O=C([O-])N1CC[C@H](NC(=O)C2=CC(=O)CS2)C1	ZINC000740402055	581676320	/nfs/dbraw/zinc/67/63/20/581676320.db2.gz	VOXFBLBRCFVWGQ-LURJTMIESA-N	-1	0	256.283	0.936	20	10		CCCDRM
CN1CC[C@@H]([N@H+](C)Cc2cc3c(cc2O)OC[C@@H]3O)C1=O	ZINC000768445895	582106616	/nfs/dbraw/zinc/10/66/16/582106616.db2.gz	KDDYSUSTFKRWQX-YPMHNXCESA-N	-1	0	292.335	0.481	20	10		CCCDRM
O=C([O-])[C@@H]1CN(C(=O)/C=C\c2ccc(O)c(O)c2)CCO1	ZINC000821510701	598220665	/nfs/dbraw/zinc/22/06/65/598220665.db2.gz	JBRDTBQRTWXIHR-QQHVMHFCSA-N	-1	0	293.275	0.423	20	10		CCCDRM
O=C([O-])[C@H]1CN(C(=O)/C=C\c2ccc(O)c(O)c2)CCO1	ZINC000821510693	598220669	/nfs/dbraw/zinc/22/06/69/598220669.db2.gz	JBRDTBQRTWXIHR-DTRQGZQOSA-N	-1	0	293.275	0.423	20	10		CCCDRM
O=C([O-])N1CCC[C@@H]1C(=O)NCCc1ccc(O)c(O)c1	ZINC000831700131	605520467	/nfs/dbraw/zinc/52/04/67/605520467.db2.gz	VUWOHBXGDXDIOC-SNVBAGLBSA-N	-1	0	294.307	0.899	20	10		CCCDRM
O=C([O-])N1CCC[C@H]1C(=O)NCCc1ccc(O)c(O)c1	ZINC000831700130	605520471	/nfs/dbraw/zinc/52/04/71/605520471.db2.gz	VUWOHBXGDXDIOC-JTQLQIEISA-N	-1	0	294.307	0.899	20	10		CCCDRM
COc1ccc(CNC(=O)CCC(=O)[O-])c(O)c1	ZINC000011892416	617253092	/nfs/dbraw/zinc/25/30/92/617253092.db2.gz	MAYLADMXHLDGRD-UHFFFAOYSA-N	-1	0	253.254	0.882	20	10		CCCDRM
COc1ccc(N(C)[C@H]2CCN(CC(=O)[O-])C2=O)cc1	ZINC000852730130	617267199	/nfs/dbraw/zinc/26/71/99/617267199.db2.gz	NZIMUUGSLWFEHI-LBPRGKRZSA-N	-1	0	278.308	0.817	20	10		CCCDRM
COc1ccc(O)c(CNC(=O)NC2CN(C(=O)[O-])C2)c1	ZINC000829482987	617272930	/nfs/dbraw/zinc/27/29/30/617272930.db2.gz	BZEWMPNMXLATDK-UHFFFAOYSA-N	-1	0	295.295	0.562	20	10		CCCDRM
CC(=O)C(=O)COC(=O)c1c(F)cc([O-])cc1F	ZINC000808519181	613660487	/nfs/dbraw/zinc/66/04/87/613660487.db2.gz	PZYNONULYMEZFD-UHFFFAOYSA-N	-1	0	258.176	0.985	20	10		CCCDRM
CC(C)(CO)ONC(=O)c1c(F)ccc(O)c1[O-]	ZINC000857285073	614124083	/nfs/dbraw/zinc/12/40/83/614124083.db2.gz	XVYFQXACGYAXKM-UHFFFAOYSA-N	-1	0	259.233	0.669	20	10		CCCDRM
CCCNC(=O)CCNC(=O)c1cccc(O)c1O	ZINC000126362816	614848068	/nfs/dbraw/zinc/84/80/68/614848068.db2.gz	VQSNXXWYMOGUPC-UHFFFAOYSA-N	-1	0	266.297	0.744	20	10		CCCDRM
CCOc1cc(O)ccc1[N-]S(=O)(=O)c1cnnn1C	ZINC000863408238	615508558	/nfs/dbraw/zinc/50/85/58/615508558.db2.gz	KRRNPVLTQXOOSX-UHFFFAOYSA-N	-1	0	298.324	0.720	20	10		CCCDRM
CN(Cc1ccccc1O)C(=O)NC1CN(C(=O)[O-])C1	ZINC000828400124	616170769	/nfs/dbraw/zinc/17/07/69/616170769.db2.gz	QPEMFIWHNZAKPM-UHFFFAOYSA-N	-1	0	279.296	0.896	20	10		CCCDRM
CN(Cc1ccccc1O)C(=O)[C@H]1CN(C(=O)[O-])CCO1	ZINC000828400167	616170947	/nfs/dbraw/zinc/17/09/47/616170947.db2.gz	SCSIBJPDDATQSC-GFCCVEGCSA-N	-1	0	294.307	0.729	20	10		CCCDRM
COC(=O)C1(O)CN(Cc2cc(Cl)c(F)cc2[O-])C1	ZINC000877770946	616384957	/nfs/dbraw/zinc/38/49/57/616384957.db2.gz	KZCWBESIKCKBAW-UHFFFAOYSA-N	-1	0	289.690	0.904	20	10		CCCDRM
COC[C@H]1C(=O)N[C@H](c2cc([N+](=O)[O-])ccc2[O-])N1C	ZINC000840827883	616763388	/nfs/dbraw/zinc/76/33/88/616763388.db2.gz	CKJBWWFGBCPFSS-ONGXEEELSA-N	-1	0	281.268	0.376	20	10		CCCDRM
COC[C@@H](OC)C(=O)N(CC(=O)[O-])Cc1ccccc1O	ZINC000911493327	616929538	/nfs/dbraw/zinc/92/95/38/616929538.db2.gz	MSRCOUWMDBPNHP-GFCCVEGCSA-N	-1	0	297.307	0.467	20	10		CCCDRM
O=C1NCC2(CN(Cc3cc(F)cc(F)c3[O-])C2)O1	ZINC000895036955	631895806	/nfs/dbraw/zinc/89/58/06/631895806.db2.gz	VDMSPSIMJAJZAU-UHFFFAOYSA-N	-1	0	270.235	0.965	20	10		CCCDRM
O=C([O-])CN(Cc1ccccc1O)C(=O)[C@H](O)C1CCC1	ZINC000911488723	636277043	/nfs/dbraw/zinc/27/70/43/636277043.db2.gz	NJQPPKLFENGSBJ-CQSZACIVSA-N	-1	0	293.319	0.966	20	10		CCCDRM
[O-]c1c(C[N@H+]2C[C@H](O)C[C@H](O)C2)ccc(F)c1F	ZINC000876798461	636872307	/nfs/dbraw/zinc/87/23/07/636872307.db2.gz	ZGOHLCTZFYVEET-DTORHVGOSA-N	-1	0	259.252	0.598	20	10		CCCDRM
COC(=O)[C@H]1CN(Cc2cc(C(=O)[O-])ccc2O)CCO1	ZINC001231560528	805815610	/nfs/dbraw/zinc/81/56/10/805815610.db2.gz	JQBNZDWFFOPMNW-GFCCVEGCSA-N	-1	0	295.291	0.464	20	10		CCCDRM
Cn1ccc2c1ncnc2-c1cnn(CC(=O)[O-])c1	ZINC001242180674	806993669	/nfs/dbraw/zinc/99/36/69/806993669.db2.gz	RVEMFWYOXUVOIB-UHFFFAOYSA-N	-1	0	257.253	0.916	20	10		CCCDRM
CN(C)C(=O)[C@@H]1CC12CN(C(=O)c1cc([O-])[nH]c(=O)c1)C2	ZINC001270175696	813662759	/nfs/dbraw/zinc/66/27/59/813662759.db2.gz	HTDGIICVLFEYJB-VIFPVBQESA-N	-1	0	291.307	0.043	20	10		CCCDRM
NC(=O)CN1CCN(Cc2ccc(F)c(F)c2[O-])CC1	ZINC000703420008	819272089	/nfs/dbraw/zinc/27/20/89/819272089.db2.gz	CYIWNUCZPDNWFD-UHFFFAOYSA-N	-1	0	285.294	0.273	20	10		CCCDRM
COCCCNC(=O)c1cc(=O)n(-c2ccccc2)[n-]1	ZINC001147878766	840713243	/nfs/dbraw/zinc/71/32/43/840713243.db2.gz	RXHPMQKDZYKKJD-UHFFFAOYSA-N	-1	0	275.308	0.932	20	10		CCCDRM
O=C(CCc1ccc(O)c(O)c1)N[C@@H]1SC(=O)[N-]C1=O	ZINC001182155619	843737319	/nfs/dbraw/zinc/73/73/19/843737319.db2.gz	JXIWFTPZZCKYGM-LLVKDONJSA-N	-1	0	296.304	0.456	20	10		CCCDRM
C[C@H](CN(C)C(=O)Cc1ccc(O)c(O)c1)c1nnn[n-]1	ZINC001296065657	906860019	/nfs/dbraw/zinc/86/00/19/906860019.db2.gz	YIJFNIDOIJAMIU-MRVPVSSYSA-N	-1	0	291.311	0.416	20	10		CCCDRM
COC(=O)[C@@H]1C[C@H](O)CN1Cc1cc(F)cc(F)c1[O-]	ZINC001350318981	925168120	/nfs/dbraw/zinc/16/81/20/925168120.db2.gz	ATBOFJFVFCJFAI-ONGXEEELSA-N	-1	0	287.262	0.779	20	10		CCCDRM
CC(C)[C@H](NC(=O)c1cccc(O)c1O)C(=O)[O-]	ZINC000125981872	958574342	/nfs/dbraw/zinc/57/43/42/958574342.db2.gz	ZUVFIQHIFQLNDW-VIFPVBQESA-N	-1	0	253.254	0.937	20	10		CCCDRM
C[C@H](CC(=O)[O-])NC(=O)c1c(F)ccc(O)c1O	ZINC001574004087	961881432	/nfs/dbraw/zinc/88/14/32/961881432.db2.gz	PACSAPXOHYWGMM-RXMQYKEDSA-N	-1	0	257.217	0.830	20	10		CCCDRM
C[C@H](NC(=O)[C@@H]1CC(C(=O)[O-])=NO1)c1ccccc1O	ZINC001605041814	972653877	/nfs/dbraw/zinc/65/38/77/972653877.db2.gz	BMGRKPKVJWCMCF-CPCISQLKSA-N	-1	0	278.264	0.799	20	10		CCCDRM
O=C([O-])C1(C(=O)NCc2ccc(O)cc2O)CCC1	ZINC001605931087	972861483	/nfs/dbraw/zinc/86/14/83/972861483.db2.gz	SUNXPHLNVXVQND-UHFFFAOYSA-N	-1	0	265.265	0.969	20	10		CCCDRM
CO[C@]1(C(=O)[O-])CCN(C(=O)c2ccc(C)c(O)c2O)C1	ZINC001599074041	996827083	/nfs/dbraw/zinc/82/70/83/996827083.db2.gz	XCGDQMDCIGMFOQ-CQSZACIVSA-N	-1	0	295.291	0.722	20	10		CCCDRM
CC(=O)c1cc(F)cc(CN2CC[C@](O)(C(N)=O)C2)c1O	ZINC000276480337	389516431	/nfs/dbraw/zinc/51/64/31/389516431.db2.gz	RYAKMECXLSTANJ-CQSZACIVSA-N	-1	0	296.298	0.156	20	10		CCCDRM
O=C([O-])c1cc(NS(=O)(=O)N2CCC2)ccc1O	ZINC000795334818	581404490	/nfs/dbraw/zinc/40/44/90/581404490.db2.gz	TVSUCQDTHSEYJH-UHFFFAOYSA-N	-1	0	272.282	0.453	20	10		CCCDRM
CN(C)c1ccc(CNC(=O)c2n[nH]c(=O)[n-]c2=O)cc1	ZINC000765466177	581516709	/nfs/dbraw/zinc/51/67/09/581516709.db2.gz	OMKNRXCOBPKROK-UHFFFAOYSA-N	-1	0	289.295	0.279	20	10		CCCDRM
O=C([O-])N1CCN(C(=O)C2=CC(=O)CS2)CC1	ZINC000738643651	581724989	/nfs/dbraw/zinc/72/49/89/581724989.db2.gz	CYNNBEOLMZKHMS-UHFFFAOYSA-N	-1	0	256.283	0.890	20	10		CCCDRM
COc1cccc(CNC(=O)CCNC(=O)[O-])c1O	ZINC000738096293	582022228	/nfs/dbraw/zinc/02/22/28/582022228.db2.gz	FKKOMXCUHZHJIF-UHFFFAOYSA-N	-1	0	268.269	0.675	20	10		CCCDRM
O=C([O-])CNC(=O)COc1ccc(N2CCCC2)cc1	ZINC000821532830	597761908	/nfs/dbraw/zinc/76/19/08/597761908.db2.gz	UINHTKICEBVDLZ-UHFFFAOYSA-N	-1	0	278.308	0.866	20	10		CCCDRM
O=C([O-])NCCCC(=O)NCCc1ccc(O)c(O)c1	ZINC000832608555	605520804	/nfs/dbraw/zinc/52/08/04/605520804.db2.gz	IMDNPVKNVHUSCK-UHFFFAOYSA-N	-1	0	282.296	0.804	20	10		CCCDRM
O=C([O-])N1CC[C@H](C(=O)NCc2ccc(O)c(O)c2)C1	ZINC000831715054	605523153	/nfs/dbraw/zinc/52/31/53/605523153.db2.gz	LOLRWXGXZCQAEY-VIFPVBQESA-N	-1	0	280.280	0.714	20	10		CCCDRM
CCn1[n-]nnc1=NC(=O)N1Cc2cccc(O)c2C1	ZINC000931679512	615912733	/nfs/dbraw/zinc/91/27/33/615912733.db2.gz	RMGUDQLXIMGFHL-UHFFFAOYSA-N	-1	0	274.284	0.368	20	10		CCCDRM
CN(CC(=O)[O-])C(=O)/C=C/c1ccc(O)c(O)c1	ZINC000820562300	616049471	/nfs/dbraw/zinc/04/94/71/616049471.db2.gz	FLPLQDDWYQXWQI-HWKANZROSA-N	-1	0	251.238	0.654	20	10		CCCDRM
CN1CCN(Cc2ccc(F)c(F)c2[O-])CC1=O	ZINC000876743327	616244938	/nfs/dbraw/zinc/24/49/38/616244938.db2.gz	BXDUMZWHFYFBTP-UHFFFAOYSA-N	-1	0	256.252	0.944	20	10		CCCDRM
CN1CCO[C@@H](C(=O)NCc2c(O)cccc2F)C1	ZINC000928706510	616252717	/nfs/dbraw/zinc/25/27/17/616252717.db2.gz	VJHXWUWSTHXZBV-GFCCVEGCSA-N	-1	0	268.288	0.478	20	10		CCCDRM
COC[C@H](NCc1ccc(F)c(F)c1[O-])C(=O)OC	ZINC000877469711	616723671	/nfs/dbraw/zinc/72/36/71/616723671.db2.gz	SLMKYILBIDJFRT-VIFPVBQESA-N	-1	0	275.251	0.948	20	10		CCCDRM
CO[C@@](C)(C(=O)[O-])C(=O)NCc1ccc(N(C)C)cc1	ZINC000849364320	616900718	/nfs/dbraw/zinc/90/07/18/616900718.db2.gz	IPGKWPLPBKNAKD-CQSZACIVSA-N	-1	0	280.324	0.859	20	10		CCCDRM
COC[C@@H](O)CN(C)c1ccc(OCC(=O)[O-])cc1	ZINC000846279829	616908212	/nfs/dbraw/zinc/90/82/12/616908212.db2.gz	MVKLAEFHCHCWPX-NSHDSACASA-N	-1	0	269.297	0.594	20	10		CCCDRM
CS(=O)(=O)C1CN(Cc2cc(F)cc(F)c2[O-])C1	ZINC000894963634	631886513	/nfs/dbraw/zinc/88/65/13/631886513.db2.gz	RRNVZDCSCWHXJG-UHFFFAOYSA-N	-1	0	277.292	0.899	20	10		CCCDRM
O=C([O-])c1ccc(O)c(CN2CCCNC(=O)C2)c1	ZINC001231560527	805816351	/nfs/dbraw/zinc/81/63/51/805816351.db2.gz	JPIRNCINLLGBBK-UHFFFAOYSA-N	-1	0	264.281	0.412	20	10		CCCDRM
NC(=O)N1CCN(Cc2ccc(F)c(F)c2[O-])CC1	ZINC000722180062	806312955	/nfs/dbraw/zinc/31/29/55/806312955.db2.gz	FZMJFMGAAWSMLK-UHFFFAOYSA-N	-1	0	271.267	0.867	20	10		CCCDRM
CC(=O)N1CC(NC(=O)c2cccc(O)c2O)C1	ZINC000187126701	803896913	/nfs/dbraw/zinc/89/69/13/803896913.db2.gz	QRKLZZCEZWXCIO-UHFFFAOYSA-N	-1	0	250.254	0.058	20	10		CCCDRM
COC(=O)c1cc(O)c(OC)cc1[N-]S(C)(=O)=O	ZINC001252712481	807949684	/nfs/dbraw/zinc/94/96/84/807949684.db2.gz	BQKFRGOPLLCQGQ-UHFFFAOYSA-N	-1	0	275.282	0.559	20	10		CCCDRM
C[C@@H]1CCc2c(sc([N-]S(N)(=O)=O)c2C(N)=O)C1	ZINC001260074167	808840046	/nfs/dbraw/zinc/84/00/46/808840046.db2.gz	CIADXDHROKDITR-RXMQYKEDSA-N	-1	0	289.382	0.587	20	10		CCCDRM
CN(C)C(=O)C12CC(NC(=O)c3cc([O-])[nH]c(=O)c3)(C1)C2	ZINC001270176905	813662767	/nfs/dbraw/zinc/66/27/67/813662767.db2.gz	XOUXYLVECLARDY-UHFFFAOYSA-N	-1	0	291.307	0.234	20	10		CCCDRM
O=C(NC[C@H]1C[C@@H](O)C1)c1cc(=O)n(-c2ccccc2)[n-]1	ZINC001147889892	840704551	/nfs/dbraw/zinc/70/45/51/840704551.db2.gz	VCLUIMQQSRVXRA-KLPPZKSPSA-N	-1	0	287.319	0.666	20	10		CCCDRM
O=C(NC[C@@H](O)CF)c1cc(=O)n(-c2ccccc2)[n-]1	ZINC001147892668	840707234	/nfs/dbraw/zinc/70/72/34/840707234.db2.gz	FPYCEVLTSAQYHC-JTQLQIEISA-N	-1	0	279.271	0.226	20	10		CCCDRM
CS(=O)(=O)CCNC(=O)c1cc(O)c([O-])c(Cl)c1	ZINC001193590357	846113521	/nfs/dbraw/zinc/11/35/21/846113521.db2.gz	ZOAKAFFFSPJTFH-UHFFFAOYSA-N	-1	0	293.728	0.526	20	10		CCCDRM
Nc1ccc(CC(=O)N2CCO[C@@H](CC(=O)[O-])C2)cc1	ZINC000091294053	958131921	/nfs/dbraw/zinc/13/19/21/958131921.db2.gz	FQLADTLLHFJZPS-LBPRGKRZSA-N	-1	0	278.308	0.513	20	10		CCCDRM
COc1cccc(CNC(=O)[C@@]2(C(=O)[O-])CCCO2)c1O	ZINC001594128581	958651827	/nfs/dbraw/zinc/65/18/27/958651827.db2.gz	YOLFRSUIUGPLBL-CQSZACIVSA-N	-1	0	295.291	0.651	20	10		CCCDRM
C[C@@H](NC(=O)c1cn(CC(=O)[O-])nn1)c1ccccc1O	ZINC001574261486	960571360	/nfs/dbraw/zinc/57/13/60/960571360.db2.gz	YBTGKWMHCSXLPV-MRVPVSSYSA-N	-1	0	290.279	0.559	20	10		CCCDRM
CCN(CC(=O)[O-])C(=O)Cc1ccc(O)c(O)c1	ZINC001596215807	983608706	/nfs/dbraw/zinc/60/87/06/983608706.db2.gz	GYKFFWUZDHYPQG-UHFFFAOYSA-N	-1	0	253.254	0.573	20	10		CCCDRM
CCNC(=O)NC(=O)CSc1ncc(C(=O)[O-])s1	ZINC001596482834	984213154	/nfs/dbraw/zinc/21/31/54/984213154.db2.gz	ASCSOTWLFMLKLL-UHFFFAOYSA-N	-1	0	289.338	0.779	20	10		CCCDRM
CC(=O)C(=O)COC(=O)[C@@]1(C(=O)[O-])C[C@H]1c1ccccc1	ZINC001589021042	985009967	/nfs/dbraw/zinc/00/99/67/985009967.db2.gz	JTEMAQZRFBBWQQ-NHYWBVRUSA-N	-1	0	290.271	0.946	20	10		CCCDRM
CN1CN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC1=O	ZINC001598627646	994124126	/nfs/dbraw/zinc/12/41/26/994124126.db2.gz	DCPPAKYMACLYJP-HYXAFXHYSA-N	-1	0	291.263	0.929	20	10		CCCDRM
COC(=O)CN(C)c1ccc(OCC(=O)[O-])cc1	ZINC001598859521	996663170	/nfs/dbraw/zinc/66/31/70/996663170.db2.gz	DMOSXTWPEVTRFG-UHFFFAOYSA-N	-1	0	253.254	0.759	20	10		CCCDRM
COC(=O)[C@H](NCc1cc(F)ccc1O)[C@@H](C)O	ZINC000191014403	351743610	/nfs/dbraw/zinc/74/36/10/351743610.db2.gz	AXLOHNFQJXDPOQ-RDDDGLTNSA-N	-1	0	257.261	0.543	20	10		CCCDRM
CN1C[C@@H](NC(=O)c2cccc(O)c2O)CCC1=O	ZINC000126447021	260352280	/nfs/dbraw/zinc/35/22/80/260352280.db2.gz	XUJNESOAAOMIEE-QMMMGPOBSA-N	-1	0	264.281	0.448	20	10		CCCDRM
O=C(CO)N1CCN(Cc2c(O)cccc2Cl)CC1	ZINC000793590983	581304085	/nfs/dbraw/zinc/30/40/85/581304085.db2.gz	FBRBWNWLLQHHGI-UHFFFAOYSA-N	-1	0	284.743	0.682	20	10		CCCDRM
O=C(COC(=O)[C@H]1CCC(=O)NC1)c1ccc(O)c(O)c1	ZINC000783026877	581334279	/nfs/dbraw/zinc/33/42/79/581334279.db2.gz	HHRHTJOKCKEOJN-VIFPVBQESA-N	-1	0	293.275	0.350	20	10		CCCDRM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1csnn1	ZINC000728697644	581367710	/nfs/dbraw/zinc/36/77/10/581367710.db2.gz	UTEJWHQBDSTTNM-UXBLZVDNSA-N	-1	0	272.289	1.000	20	10		CCCDRM
Cn1nnc(CNCc2cc([N+](=O)[O-])ccc2[O-])n1	ZINC000785616466	581413489	/nfs/dbraw/zinc/41/34/89/581413489.db2.gz	CFFMJTOUUVKTEH-UHFFFAOYSA-N	-1	0	264.245	0.114	20	10		CCCDRM
COc1ccc(O)c(CNC(=O)CSCC(=O)[O-])c1	ZINC000739930083	581635974	/nfs/dbraw/zinc/63/59/74/581635974.db2.gz	IXGVZRWWOWCLCF-UHFFFAOYSA-N	-1	0	285.321	0.835	20	10		CCCDRM
CCN(C)c1ccc(Cn2cnc(-c3nnn[n-]3)n2)cc1	ZINC000736509510	581782234	/nfs/dbraw/zinc/78/22/34/581782234.db2.gz	DYBQKMKPHPASHV-UHFFFAOYSA-N	-1	0	284.327	0.963	20	10		CCCDRM
C[C@H](NC(=O)c1cc(=O)[nH][n-]1)c1ccc(N(C)C)cc1	ZINC000776269355	582066131	/nfs/dbraw/zinc/06/61/31/582066131.db2.gz	JWEBRAGNWKJCQD-VIFPVBQESA-N	-1	0	274.324	0.806	20	10		CCCDRM
O=C([O-])NC1(C(=O)NCc2ccc(O)c(O)c2)CC1	ZINC000834152256	605546700	/nfs/dbraw/zinc/54/67/00/605546700.db2.gz	WFAAWVKBQIRDKU-UHFFFAOYSA-N	-1	0	266.253	0.514	20	10		CCCDRM
COc1cccc(CNC(=O)C2(NC(=O)[O-])CC2)c1O	ZINC000829559365	617298160	/nfs/dbraw/zinc/29/81/60/617298160.db2.gz	JQZSHZLGOWARRB-UHFFFAOYSA-N	-1	0	280.280	0.817	20	10		CCCDRM
CCC[C@H](O)[C@H](CO)NC(=O)c1cccc(O)c1O	ZINC000839816777	614429648	/nfs/dbraw/zinc/42/96/48/614429648.db2.gz	JYQMANUTCPNRFB-UWVGGRQHSA-N	-1	0	269.297	0.350	20	10		CCCDRM
CC[C@H](Sc1ncc(S(N)(=O)=O)s1)C(=O)[O-]	ZINC000844207031	615867758	/nfs/dbraw/zinc/86/77/58/615867758.db2.gz	SBJICWNFLFMWSI-BYPYZUCNSA-N	-1	0	282.368	0.746	20	10		CCCDRM
COCCN(CC(=O)[O-])C(=O)/C=C\c1ccc(O)c(O)c1	ZINC000820718964	616980258	/nfs/dbraw/zinc/98/02/58/616980258.db2.gz	ITTAPYIFIAMTMH-HYXAFXHYSA-N	-1	0	295.291	0.671	20	10		CCCDRM
CO[N-]C(=O)CNC(=O)NCc1cc(C)ccc1O	ZINC000927216589	617113329	/nfs/dbraw/zinc/11/33/29/617113329.db2.gz	SFCXBNJHPOEOKB-UHFFFAOYSA-N	-1	0	267.285	0.177	20	10		CCCDRM
O=C1NC(=O)N2CCN(Cc3ccc(F)c(F)c3[O-])C[C@H]12	ZINC000877168014	646745282	/nfs/dbraw/zinc/74/52/82/646745282.db2.gz	NMWCMQDDLCMRKQ-SECBINFHSA-N	-1	0	297.261	0.406	20	10		CCCDRM
COC(=O)[C@@H]1CN(Cc2ccc(C(=O)[O-])cc2O)CCO1	ZINC001231446450	805802236	/nfs/dbraw/zinc/80/22/36/805802236.db2.gz	IZBRZTAHULQIGJ-LBPRGKRZSA-N	-1	0	295.291	0.464	20	10		CCCDRM
O=C([O-])c1ccc(C[N@@H+]2CC[C@H]3CNC(=O)[C@H]3C2)c(O)c1	ZINC001231456043	805806558	/nfs/dbraw/zinc/80/65/58/805806558.db2.gz	ZYFDKXRZFOBKJX-JQWIXIFHSA-N	-1	0	290.319	0.658	20	10		CCCDRM
CS(=O)(=O)[C@H]1CCN(Cc2cc(C(=O)[O-])ccc2O)C1	ZINC001231565438	805817155	/nfs/dbraw/zinc/81/71/55/805817155.db2.gz	WNFVJPJHHITKAP-NSHDSACASA-N	-1	0	299.348	0.709	20	10		CCCDRM
CC(=O)NC1CN(Cc2c(F)ccc(F)c2[O-])C1	ZINC001139683653	799830028	/nfs/dbraw/zinc/83/00/28/799830028.db2.gz	PRWCOWIDEVPDQU-UHFFFAOYSA-N	-1	0	256.252	0.991	20	10		CCCDRM
CN1CCc2c(sc([N-]S(C)(=O)=O)c2C(N)=O)C1	ZINC001252629654	807923345	/nfs/dbraw/zinc/92/33/45/807923345.db2.gz	QASCPDGNODFIGZ-UHFFFAOYSA-N	-1	0	289.382	0.206	20	10		CCCDRM
COC(=O)c1cc([N-]S(=O)(=O)c2cn[nH]c2)ccc1O	ZINC001260960404	808891315	/nfs/dbraw/zinc/89/13/15/808891315.db2.gz	LGAURUUWRXFCOZ-UHFFFAOYSA-N	-1	0	297.292	0.703	20	10		CCCDRM
CN1C[C@H]2C[C@@H](C1)N2C(=O)c1cc(=O)n(-c2ccccc2)[n-]1	ZINC001270389067	813742999	/nfs/dbraw/zinc/74/29/99/813742999.db2.gz	POAVMJRMAQNJLW-BETUJISGSA-N	-1	0	298.346	0.694	20	10		CCCDRM
COC(=O)CNC(=O)c1cc(=O)n(-c2ccccc2)[n-]1	ZINC001147889416	840704178	/nfs/dbraw/zinc/70/41/78/840704178.db2.gz	JLTBURFDKHDHIA-UHFFFAOYSA-N	-1	0	275.264	0.069	20	10		CCCDRM
COC(=O)CCS(=O)(=O)Nc1cc(F)c(O)cc1F	ZINC001188389073	844877028	/nfs/dbraw/zinc/87/70/28/844877028.db2.gz	PSAREQZDJSYNLC-UHFFFAOYSA-N	-1	0	295.263	0.975	20	10		CCCDRM
COC(=O)c1cc([N-]S(=O)(=O)c2ncc[nH]2)ccc1O	ZINC001190721569	845477389	/nfs/dbraw/zinc/47/73/89/845477389.db2.gz	JVZFVTAAEWTBTM-UHFFFAOYSA-N	-1	0	297.292	0.703	20	10		CCCDRM
Cn1[nH]cnc1=NC(=O)c1cc(O)c([O-])c(Cl)c1	ZINC001193589525	846113667	/nfs/dbraw/zinc/11/36/67/846113667.db2.gz	LMPXZLKUQYCTBD-UHFFFAOYSA-N	-1	0	268.660	0.554	20	10		CCCDRM
CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@](O)(C(=O)[O-])C2)c1O	ZINC001331965327	917762227	/nfs/dbraw/zinc/76/22/27/917762227.db2.gz	GOGPUWMNYYVMBL-AWEZNQCLSA-N	-1	0	297.282	0.755	20	10		CCCDRM
Cn1nccc1[C@@H](NC(=O)C1=CC(=O)CS1)C(=O)[O-]	ZINC001594589590	956040095	/nfs/dbraw/zinc/04/00/95/956040095.db2.gz	NHDQDTKZSSSOIF-SECBINFHSA-N	-1	0	281.293	0.743	20	10		CCCDRM
C[C@@](O)(C[NH2+]Cc1cccc(Cl)c1[O-])C(=O)[O-]	ZINC001589146961	956300957	/nfs/dbraw/zinc/30/09/57/956300957.db2.gz	LQYFGYGWDNORHU-LLVKDONJSA-N	-1	0	259.689	0.971	20	10		CCCDRM
COCC[C@@H](NC(=O)c1cccc(O)c1O)C(=O)[O-]	ZINC000126016320	958576674	/nfs/dbraw/zinc/57/66/74/958576674.db2.gz	GMWGPKFZZNNTQZ-MRVPVSSYSA-N	-1	0	269.253	0.317	20	10		CCCDRM
COc1cccc(CNC(=O)[C@H]2CC(C(=O)[O-])=NO2)c1O	ZINC001594128047	958646664	/nfs/dbraw/zinc/64/66/64/958646664.db2.gz	CDFCWGDMJFTLCN-SNVBAGLBSA-N	-1	0	294.263	0.247	20	10		CCCDRM
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H](OC)C(=O)[O-]	ZINC001573895244	961389569	/nfs/dbraw/zinc/38/95/69/961389569.db2.gz	WRAAUPIGXMPUGC-LLVKDONJSA-N	-1	0	288.296	0.594	20	10		CCCDRM
CO[C@](C)(C(=O)[O-])C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	ZINC001604455382	973296491	/nfs/dbraw/zinc/29/64/91/973296491.db2.gz	UTGJHAGNEWRNNX-RTHLEPHNSA-N	-1	0	297.307	0.635	20	10		CCCDRM
O=C([O-])C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	ZINC000274131317	353114767	/nfs/dbraw/zinc/11/47/67/353114767.db2.gz	FDUUUAULIJITFN-NSHDSACASA-N	-1	0	279.292	0.984	20	10		CCCDRM
COc1ccc(N2CCN(C(=O)C(=O)[O-])CC2)cc1F	ZINC000274144839	353114994	/nfs/dbraw/zinc/11/49/94/353114994.db2.gz	HOYPYSPSIWFYSQ-UHFFFAOYSA-N	-1	0	282.271	0.568	20	10		CCCDRM
NC(=O)CN1CCCc2cc(CNC(=O)[O-])ccc21	ZINC000740334106	581668348	/nfs/dbraw/zinc/66/83/48/581668348.db2.gz	JUGVXKQOHWGFIM-UHFFFAOYSA-N	-1	0	263.297	0.692	20	10		CCCDRM
C[C@H](CN(C)C(=O)C1=CC(=O)CS1)c1nnn[n-]1	ZINC000735998530	581681013	/nfs/dbraw/zinc/68/10/13/581681013.db2.gz	PDAPSEMRYWLPIK-ZCFIWIBFSA-N	-1	0	267.314	0.843	20	10		CCCDRM
CC(C)NC(=O)CN(C)Cc1cc2c(cc1O)OC[C@H]2O	ZINC000768441848	582106707	/nfs/dbraw/zinc/10/67/07/582106707.db2.gz	LDJCRAWWXJSXGC-CYBMUJFWSA-N	-1	0	294.351	0.774	20	10		CCCDRM
COc1ccc(N(C)CC(=O)NCC(=O)[O-])c(OC)c1	ZINC000820840979	617267095	/nfs/dbraw/zinc/26/70/95/617267095.db2.gz	CPZRVYAWMJFCLM-UHFFFAOYSA-N	-1	0	282.296	0.341	20	10		CCCDRM
CCO[N-]C(=O)CNC(=O)c1c(F)ccc(O)c1O	ZINC000846661591	615370820	/nfs/dbraw/zinc/37/08/20/615370820.db2.gz	VCZWPRKQAMKMEA-UHFFFAOYSA-N	-1	0	272.232	0.034	20	10		CCCDRM
COC(=O)CC[N@H+](CC(=O)[O-])Cc1ccccc1O	ZINC000883520265	616549546	/nfs/dbraw/zinc/54/95/46/616549546.db2.gz	VOEVYBFAHCJICF-UHFFFAOYSA-N	-1	0	267.281	0.842	20	10		CCCDRM
Cn1[n-]nnc1=NCc1ccc(N2CCC(O)CC2)cc1	ZINC000853955766	644164095	/nfs/dbraw/zinc/16/40/95/644164095.db2.gz	JINDEDMTBUUSMB-UHFFFAOYSA-N	-1	0	288.355	0.205	20	10		CCCDRM
CN1CCN(Cc2c(O)ccc(F)c2F)CC1=O	ZINC001233332111	806043136	/nfs/dbraw/zinc/04/31/36/806043136.db2.gz	ZCRWNNSUUDCKPM-UHFFFAOYSA-N	-1	0	256.252	0.944	20	10		CCCDRM
Cc1sc([N-]S(=O)(=O)N(C)C)c(C(N)=O)c1C	ZINC001251051426	807658030	/nfs/dbraw/zinc/65/80/30/807658030.db2.gz	LCZGZZBHZWWKHX-UHFFFAOYSA-N	-1	0	277.371	0.682	20	10		CCCDRM
Cn1cnc(S(=O)(=O)[N-]c2cccc(O)c2O)c1	ZINC001258998843	808707752	/nfs/dbraw/zinc/70/77/52/808707752.db2.gz	NXWARWBGFDZBNI-UHFFFAOYSA-N	-1	0	269.282	0.632	20	10		CCCDRM
Cc1ccc(C(=O)N=c2ccn(C)c(=O)[nH]2)c([O-])c1O	ZINC001144329134	840006131	/nfs/dbraw/zinc/00/61/31/840006131.db2.gz	FNLQOCHHDZOCES-UHFFFAOYSA-N	-1	0	275.264	0.586	20	10		CCCDRM
O=C(NCc1cncnc1)c1cc(=O)n(-c2ccccc2)[n-]1	ZINC001147889226	840703159	/nfs/dbraw/zinc/70/31/59/840703159.db2.gz	CDPNFTCBCWPMFW-UHFFFAOYSA-N	-1	0	295.302	0.886	20	10		CCCDRM
CN1CCN(C(=O)c2cc(=O)n(-c3ccccc3)[n-]2)CC1	ZINC001147878645	840714207	/nfs/dbraw/zinc/71/42/07/840714207.db2.gz	MZWZYWMREQBNLM-UHFFFAOYSA-N	-1	0	286.335	0.553	20	10		CCCDRM
Cn1[n-]c(C(=O)NCc2ccc(O)c(O)c2)cc1=O	ZINC001137443223	853799216	/nfs/dbraw/zinc/79/92/16/853799216.db2.gz	HLPBBZAPPORYRH-UHFFFAOYSA-N	-1	0	263.253	0.467	20	10		CCCDRM
O=C(CCc1nnn[n-]1)N1Cc2cccc(O)c2C1	ZINC001119057135	856545500	/nfs/dbraw/zinc/54/55/00/856545500.db2.gz	ZZIJJASFKQHGAJ-UHFFFAOYSA-N	-1	0	259.269	0.380	20	10		CCCDRM
C[C@H](CC(=O)[O-])NC(=O)Cc1ccc(O)c(O)c1	ZINC001588997063	962856187	/nfs/dbraw/zinc/85/61/87/962856187.db2.gz	UAWKFZMHJVWPFT-SSDOTTSWSA-N	-1	0	253.254	0.620	20	10		CCCDRM
C[C@](Cn1cccn1)(NC(=O)C1=CC(=O)CS1)C(=O)[O-]	ZINC001592923546	979924965	/nfs/dbraw/zinc/92/49/65/979924965.db2.gz	BYRKTPWBDGFMPQ-GFCCVEGCSA-N	-1	0	295.320	0.924	20	10		CCCDRM
C[C@@](Cn1cccn1)(NC(=O)C1=CC(=O)CS1)C(=O)[O-]	ZINC001592923549	979925138	/nfs/dbraw/zinc/92/51/38/979925138.db2.gz	BYRKTPWBDGFMPQ-LBPRGKRZSA-N	-1	0	295.320	0.924	20	10		CCCDRM
CCCN1CC(=O)N[C@H]1c1cc(C(=O)[O-])ccc1O	ZINC001595897292	982946404	/nfs/dbraw/zinc/94/64/04/982946404.db2.gz	XYIWUPAHKSQLEY-GFCCVEGCSA-N	-1	0	264.281	0.931	20	10		CCCDRM
C[C@@](O)(CNC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)[O-]	ZINC001593398753	995150871	/nfs/dbraw/zinc/15/08/71/995150871.db2.gz	FGUXPXMGFSCVGI-HSBHDXMMSA-N	-1	0	281.264	0.063	20	10		CCCDRM
COCCN(CCC(=O)[O-])C(=O)Cc1ccc(O)c(O)c1	ZINC001599235007	997929242	/nfs/dbraw/zinc/92/92/42/997929242.db2.gz	KHCXEPZATOYTMJ-UHFFFAOYSA-N	-1	0	297.307	0.590	20	10		CCCDRM
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(=O)[O-]	ZINC000274148170	523265077	/nfs/dbraw/zinc/26/50/77/523265077.db2.gz	IGGDNACDVRHGMV-UHFFFAOYSA-N	-1	0	278.308	0.566	20	10		CCCDRM
O=C([O-])N[C@H]1CCN(C(=O)C2=CC(=O)CS2)C1	ZINC000740586645	581374086	/nfs/dbraw/zinc/37/40/86/581374086.db2.gz	NVWMMVQCEDEEIL-LURJTMIESA-N	-1	0	256.283	0.936	20	10		CCCDRM
O=[N+]([O-])c1cc(NS(=O)(=O)N2CCC2)ccc1[O-]	ZINC000795347230	581404773	/nfs/dbraw/zinc/40/47/73/581404773.db2.gz	GRXUXRIOIDKLEO-UHFFFAOYSA-N	-1	0	273.270	0.663	20	10		CCCDRM
CN(C)c1ccc(CN=c2nn[n-]n2C)cc1F	ZINC000730805133	581735990	/nfs/dbraw/zinc/73/59/90/581735990.db2.gz	QXJLVYJPPLARAM-UHFFFAOYSA-N	-1	0	250.281	0.449	20	10		CCCDRM
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(=O)[nH][n-]1	ZINC000731897604	581790445	/nfs/dbraw/zinc/79/04/45/581790445.db2.gz	SAPHXANGRIBXOI-UHFFFAOYSA-N	-1	0	288.351	0.977	20	10		CCCDRM
O=C(NCCCSc1nccs1)c1cc(=O)[nH][n-]1	ZINC000736680389	581817434	/nfs/dbraw/zinc/81/74/34/581817434.db2.gz	JVPBFCWUFAYSRF-UHFFFAOYSA-N	-1	0	284.366	0.617	20	10		CCCDRM
O=C([O-])[C@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)CCO1	ZINC000821510697	598220628	/nfs/dbraw/zinc/22/06/28/598220628.db2.gz	JBRDTBQRTWXIHR-FXMSTWTQSA-N	-1	0	293.275	0.423	20	10		CCCDRM
O=C([O-])[C@@H]1C[C@H]1C(=O)NCc1ccc(O)c(O)c1	ZINC000833178637	604918080	/nfs/dbraw/zinc/91/80/80/604918080.db2.gz	HQDFYFSKJIQOGR-HTQZYQBOSA-N	-1	0	251.238	0.435	20	10		CCCDRM
O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)NCc1ccccc1O	ZINC000831720062	605827526	/nfs/dbraw/zinc/82/75/26/605827526.db2.gz	PGPDTYUEDFHPSD-NXEZZACHSA-N	-1	0	280.280	0.122	20	10		CCCDRM
COc1ccc(CNC(=O)NCCC(=O)[O-])c(O)c1	ZINC000840991615	617254533	/nfs/dbraw/zinc/25/45/33/617254533.db2.gz	SKBSMZQJXOARCD-UHFFFAOYSA-N	-1	0	268.269	0.675	20	10		CCCDRM
COc1ccc(N(C)[C@H]2CCN(CC(=O)[O-])C2=O)cc1F	ZINC000852726117	617267259	/nfs/dbraw/zinc/26/72/59/617267259.db2.gz	HSHSRWXRHVHHRD-NSHDSACASA-N	-1	0	296.298	0.956	20	10		CCCDRM
COc1cccc(O)c1CN1CCO[C@H](C(=O)[O-])C1	ZINC000820870933	617305267	/nfs/dbraw/zinc/30/52/67/617305267.db2.gz	JHTYWLJJBWXSHG-LBPRGKRZSA-N	-1	0	267.281	0.686	20	10		CCCDRM
CCO[N-]C(=O)CNC(=O)c1ccc(C)c(O)c1O	ZINC000846494044	615371715	/nfs/dbraw/zinc/37/17/15/615371715.db2.gz	NAAFNJMGNRGQTO-UHFFFAOYSA-N	-1	0	268.269	0.204	20	10		CCCDRM
CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-]	ZINC000828400342	616170615	/nfs/dbraw/zinc/17/06/15/616170615.db2.gz	XLOSRYSUFRWXHH-QWRGUYRKSA-N	-1	0	294.307	0.464	20	10		CCCDRM
O=C(CN1CCOCC1)NCc1cccc(Cl)c1O	ZINC000890760098	624628752	/nfs/dbraw/zinc/62/87/52/624628752.db2.gz	HUNGSVIFYHGDTJ-UHFFFAOYSA-N	-1	0	284.743	0.994	20	10		CCCDRM
O=C(C[C@H]1CC(=O)NC1=O)NCc1cccc(Cl)c1O	ZINC000890761681	624628917	/nfs/dbraw/zinc/62/89/17/624628917.db2.gz	VOKKDZRBGPXNFW-QMMMGPOBSA-N	-1	0	296.710	0.715	20	10		CCCDRM
O=C1NC(=O)C2(CN(Cc3cc(Cl)cc(F)c3[O-])C2)N1	ZINC000897905993	633255348	/nfs/dbraw/zinc/25/53/48/633255348.db2.gz	PVUIONACHPOPDY-UHFFFAOYSA-N	-1	0	299.689	0.579	20	10		CCCDRM
C[C@@H](CNC(=O)C(=O)N(C)Cc1ccccc1O)C(=O)[O-]	ZINC000848611096	643662633	/nfs/dbraw/zinc/66/26/33/643662633.db2.gz	RQDJBIWGRMMYTC-VIFPVBQESA-N	-1	0	294.307	0.188	20	10		CCCDRM
O=C(NOCCN1CCCC1=O)c1c(F)ccc(O)c1[O-]	ZINC000857331297	644500323	/nfs/dbraw/zinc/50/03/23/644500323.db2.gz	SONFBGHRJZFRLU-UHFFFAOYSA-N	-1	0	298.270	0.521	20	10		CCCDRM
O=C([O-])c1ccc(O)c(CN2CC[C@@H](O)[C@H](F)C2)c1	ZINC001231561620	805817962	/nfs/dbraw/zinc/81/79/62/805817962.db2.gz	WTMCERCMHQGSDI-ZYHUDNBSSA-N	-1	0	269.272	0.995	20	10		CCCDRM
O=C([O-])c1ccc(O)c(CN2CCS(=O)(=O)CC2)c1	ZINC001231561472	805818033	/nfs/dbraw/zinc/81/80/33/805818033.db2.gz	VJBNCBDXFXAKTM-UHFFFAOYSA-N	-1	0	285.321	0.321	20	10		CCCDRM
O=C1COC[C@@H]2CN(Cc3ccc(F)c(F)c3[O-])CCN12	ZINC001233078223	806018214	/nfs/dbraw/zinc/01/82/14/806018214.db2.gz	MBKHLINXFICNSJ-JTQLQIEISA-N	-1	0	298.289	0.713	20	10		CCCDRM
Oc1ccc(F)c(F)c1CN1CCOC[C@H](O)C1	ZINC001233332171	806042953	/nfs/dbraw/zinc/04/29/53/806042953.db2.gz	BFAPMWIHYFDWGB-MRVPVSSYSA-N	-1	0	259.252	0.864	20	10		CCCDRM
NC(=O)[C@H]1CN(Cc2c(F)ccc(F)c2[O-])CCO1	ZINC001139686370	799830291	/nfs/dbraw/zinc/83/02/91/799830291.db2.gz	WKYCDWIRYYBWRW-SNVBAGLBSA-N	-1	0	272.251	0.357	20	10		CCCDRM
CNc1ccccc1N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C	ZINC001167862146	812326128	/nfs/dbraw/zinc/32/61/28/812326128.db2.gz	PVAQXVNHEJSOML-XVKPBYJWSA-N	-1	0	285.325	0.542	20	10		CCCDRM
O=C(NCc1c[nH]cn1)c1cc(=O)n(-c2ccccc2)[n-]1	ZINC001147878323	840714308	/nfs/dbraw/zinc/71/43/08/840714308.db2.gz	AZIJMIGNIKPKPL-UHFFFAOYSA-N	-1	0	283.291	0.819	20	10		CCCDRM
Nc1cn(C(=O)c2ccc(O)c(O)c2Cl)c(N)nc1=O	ZINC001193247040	846033767	/nfs/dbraw/zinc/03/37/67/846033767.db2.gz	ITVZDMHZLDYAGA-UHFFFAOYSA-N	-1	0	296.670	0.403	20	10		CCCDRM
COC(=O)[C@@H]1C[C@@H](O)CN1Cc1cc(F)cc(F)c1[O-]	ZINC001350308908	925167149	/nfs/dbraw/zinc/16/71/49/925167149.db2.gz	ATBOFJFVFCJFAI-KOLCDFICSA-N	-1	0	287.262	0.779	20	10		CCCDRM
O=C([O-])CSCC(=O)NCc1ccc(O)cc1O	ZINC001595126762	952016338	/nfs/dbraw/zinc/01/63/38/952016338.db2.gz	BCIBOERZSWKCQW-UHFFFAOYSA-N	-1	0	271.294	0.532	20	10		CCCDRM
O=C([O-])[C@]1(C(=O)N2Cc3cccc(O)c3C2)CCCO1	ZINC001594851827	954201237	/nfs/dbraw/zinc/20/12/37/954201237.db2.gz	ISRRPIDOEKDFJK-CQSZACIVSA-N	-1	0	277.276	0.868	20	10		CCCDRM
CN(Cc1ccccc1O)C(=O)[C@]1(C(=O)[O-])CCCO1	ZINC001604189782	972623255	/nfs/dbraw/zinc/62/32/55/972623255.db2.gz	JJXIBJZHTNVWLB-AWEZNQCLSA-N	-1	0	279.292	0.984	20	10		CCCDRM
Cc1ccc(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)c(O)c1O	ZINC001605252734	973014675	/nfs/dbraw/zinc/01/46/75/973014675.db2.gz	ACOLADWYKCZAIH-ZKCHVHJHSA-N	-1	0	265.265	0.999	20	10		CCCDRM
CCOC(=O)CN(CC(=O)[O-])Cc1ccccc1O	ZINC001603796686	974264637	/nfs/dbraw/zinc/26/46/37/974264637.db2.gz	ODCMHNSRFONGPE-UHFFFAOYSA-N	-1	0	267.281	0.842	20	10		CCCDRM
CC[C@H](NC(=O)Cc1ccc(O)c(O)c1)C(=O)[O-]	ZINC001595243170	980173060	/nfs/dbraw/zinc/17/30/60/980173060.db2.gz	UMOSISGFNVCOBG-QMMMGPOBSA-N	-1	0	253.254	0.620	20	10		CCCDRM
COc1cccc(O)c1CN1CCOC[C@@H]1C(=O)[O-]	ZINC001599680499	994972173	/nfs/dbraw/zinc/97/21/73/994972173.db2.gz	USTUVKYUQGFFFZ-SNVBAGLBSA-N	-1	0	267.281	0.686	20	10		CCCDRM
COC[C@@H]([NH2+]Cc1cc(F)c(F)cc1[O-])C(=O)[O-]	ZINC001599176908	996865232	/nfs/dbraw/zinc/86/52/32/996865232.db2.gz	JBBUETAFQRZLQH-SECBINFHSA-N	-1	0	261.224	0.860	20	10		CCCDRM
CON(C(=O)c1cccc(O)c1O)[C@H](C)CC(=O)[O-]	ZINC001599311864	997429014	/nfs/dbraw/zinc/42/90/14/997429014.db2.gz	PJTFBEFCKMBHEB-SSDOTTSWSA-N	-1	0	269.253	0.965	20	10		CCCDRM
CCC[C@H]1C(=O)NCCN1C(=O)c1cccc(O)c1O	ZINC000193151206	351813780	/nfs/dbraw/zinc/81/37/80/351813780.db2.gz	WVYCLSWPPUPDLY-JTQLQIEISA-N	-1	0	278.308	0.839	20	10		CCCDRM
C[C@H]1OCC[C@@]1(O)CNC(=O)c1c(F)ccc(O)c1O	ZINC000296389541	353945197	/nfs/dbraw/zinc/94/51/97/353945197.db2.gz	SNHCFDAMSAENFD-FUXBKTLASA-N	-1	0	285.271	0.507	20	10		CCCDRM
O=[N+]([O-])c1cc(Cl)cc(CN2C[C@H](O)[C@@H](O)C2)c1[O-]	ZINC000278118331	527332905	/nfs/dbraw/zinc/33/29/05/527332905.db2.gz	AUJKGYBRGJOZNN-UWVGGRQHSA-N	-1	0	288.687	0.491	20	10		CCCDRM
O=C(C=Cc1ccc(O)c(O)c1)OCc1n[nH]c(=O)[n-]1	ZINC000759588235	581810009	/nfs/dbraw/zinc/81/00/09/581810009.db2.gz	JWUJZVSPXXGGIX-RQOWECAXSA-N	-1	0	277.236	0.678	20	10		CCCDRM
CCOc1ccc(N(C)CC(=O)NCC(=O)[O-])cc1	ZINC000737203852	581922860	/nfs/dbraw/zinc/92/28/60/581922860.db2.gz	PVPQKYRPCZBVSH-UHFFFAOYSA-N	-1	0	266.297	0.722	20	10		CCCDRM
C[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)[O-]	ZINC000116518864	598220617	/nfs/dbraw/zinc/22/06/17/598220617.db2.gz	HTRLGQVZCDCTDC-GLCRXLCDSA-N	-1	0	251.238	0.700	20	10		CCCDRM
CCN(C)c1ccc(Cn2nnnc2CNC(=O)[O-])cc1	ZINC000826992188	614921226	/nfs/dbraw/zinc/92/12/26/614921226.db2.gz	CUYATMQMQMPJKF-UHFFFAOYSA-N	-1	0	290.327	0.945	20	10		CCCDRM
COCC(=O)N(CC(=O)[O-])Cc1ccccc1O	ZINC000911484784	616536742	/nfs/dbraw/zinc/53/67/42/616536742.db2.gz	QIMRZVQUCVZTOL-UHFFFAOYSA-N	-1	0	253.254	0.452	20	10		CCCDRM
O=C1N=NC2CN(Cc3cc(F)cc(F)c3[O-])CCN12	ZINC000894467053	631774800	/nfs/dbraw/zinc/77/48/00/631774800.db2.gz	UGOOPSMRGXFCKB-UHFFFAOYSA-N	-1	0	282.250	0.983	20	10		CCCDRM
NC(=O)[C@@H]1C[C@@H](O)CN1Cc1cccc(Cl)c1[O-]	ZINC000895369051	632071152	/nfs/dbraw/zinc/07/11/52/632071152.db2.gz	ZWQADILNUFOVOV-SCZZXKLOSA-N	-1	0	270.716	0.466	20	10		CCCDRM
COCCS(=O)(=O)[N-]c1ccc(O)cc1C(=O)OC	ZINC000274757060	650820480	/nfs/dbraw/zinc/82/04/80/650820480.db2.gz	PTOVPJGVIGMWFK-UHFFFAOYSA-N	-1	0	289.309	0.567	20	10		CCCDRM
O=C([O-])c1ccc(O)c(CN2C[C@@H]3C[C@H]2C(=O)O3)c1	ZINC001231567465	805818598	/nfs/dbraw/zinc/81/85/98/805818598.db2.gz	ZGQZONOHCICKPY-UWVGGRQHSA-N	-1	0	263.249	0.590	20	10		CCCDRM
O=C([O-])c1ccc(O)c(CN2CCO[C@H](CO)C2)c1	ZINC001231560455	805815581	/nfs/dbraw/zinc/81/55/81/805815581.db2.gz	IPJNADOIANDIHQ-NSHDSACASA-N	-1	0	267.281	0.284	20	10		CCCDRM
O=C([O-])c1ccc(O)c(CN2CC(F)(CO)C2)c1	ZINC001231561666	805817220	/nfs/dbraw/zinc/81/72/20/805817220.db2.gz	XWVLBBONNPYDIM-UHFFFAOYSA-N	-1	0	255.245	0.607	20	10		CCCDRM
CO[C@@H]1CCOC[C@H]1NC(=O)c1cccc(O)c1O	ZINC000725031606	811193983	/nfs/dbraw/zinc/19/39/83/811193983.db2.gz	KBABYPCSABYKAE-MWLCHTKSSA-N	-1	0	267.281	0.632	20	10		CCCDRM
CNC(=O)[C@H](C)NC(=O)c1cc(=O)n(-c2ccccc2)[n-]1	ZINC001147889982	840704029	/nfs/dbraw/zinc/70/40/29/840704029.db2.gz	VOQVYZJXRGKJII-VIFPVBQESA-N	-1	0	288.307	0.030	20	10		CCCDRM
O=C(NC[C@H](O)CF)c1cc(=O)n(-c2ccccc2)[n-]1	ZINC001147892670	840706862	/nfs/dbraw/zinc/70/68/62/840706862.db2.gz	FPYCEVLTSAQYHC-SNVBAGLBSA-N	-1	0	279.271	0.226	20	10		CCCDRM
O=S(=O)([N-]c1cccc(O)c1O)c1c[nH]cn1	ZINC001187761270	844767405	/nfs/dbraw/zinc/76/74/05/844767405.db2.gz	VTEKPUCXWHAJOH-UHFFFAOYSA-N	-1	0	255.255	0.622	20	10		CCCDRM
Cn1ccnc1S(=O)(=O)[N-]c1ccc(O)cc1O	ZINC001193549732	846115485	/nfs/dbraw/zinc/11/54/85/846115485.db2.gz	JOCSGUWTORRNBC-UHFFFAOYSA-N	-1	0	269.282	0.632	20	10		CCCDRM
CO[C@H](C(=O)[O-])C(=O)NCc1cccc(Cl)c1O	ZINC001593909466	955960597	/nfs/dbraw/zinc/96/05/97/955960597.db2.gz	XUINMPAFCICUFH-VIFPVBQESA-N	-1	0	273.672	0.761	20	10		CCCDRM
CO[C@@](C)(C(=O)[O-])C(=O)NCc1ccc(O)cc1O	ZINC001593925779	956123453	/nfs/dbraw/zinc/12/34/53/956123453.db2.gz	HFKSVGZSLFCSIQ-GFCCVEGCSA-N	-1	0	269.253	0.204	20	10		CCCDRM
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CSCC(=O)[O-]	ZINC001603199491	972302494	/nfs/dbraw/zinc/30/24/94/972302494.db2.gz	FSJOBODBWUKWRX-MRVPVSSYSA-N	-1	0	299.348	0.963	20	10		CCCDRM
CCOC(=O)CC(C)(C)CC(=O)C(=O)COCC(=O)[O-]	ZINC001573894902	961383071	/nfs/dbraw/zinc/38/30/71/961383071.db2.gz	OOQMUJIXHKERLD-UHFFFAOYSA-N	-1	0	288.296	0.595	20	10		CCCDRM
O=C([O-])[C@@H]1CC[C@@H]1C(=O)NCCc1ccc(O)c(O)c1	ZINC001574573826	962067367	/nfs/dbraw/zinc/06/73/67/962067367.db2.gz	PKRBHXJNHLCZGD-VHSXEESVSA-N	-1	0	279.292	0.867	20	10		CCCDRM
Cc1ccc(C(=O)NC2(C(=O)[O-])CCOCC2)c(O)c1O	ZINC001605250437	973013948	/nfs/dbraw/zinc/01/39/48/973013948.db2.gz	UBIDCSKEHDCAFR-UHFFFAOYSA-N	-1	0	295.291	0.770	20	10		CCCDRM
CO[C@](C)(C(=O)[O-])C(=O)NCc1cccc(O)c1O	ZINC001604463955	973328808	/nfs/dbraw/zinc/32/88/08/973328808.db2.gz	UQCOJVBMONGLPA-LBPRGKRZSA-N	-1	0	269.253	0.204	20	10		CCCDRM
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)COCC(=O)[O-]	ZINC001592883094	979757278	/nfs/dbraw/zinc/75/72/78/979757278.db2.gz	LGISQGFDDVHPQC-QMMMGPOBSA-N	-1	0	283.280	0.246	20	10		CCCDRM
CCNC(=O)CN(C)c1ccc(OCC(=O)[O-])cc1	ZINC001596458352	984169995	/nfs/dbraw/zinc/16/99/95/984169995.db2.gz	KOGVFBUYBLCAPM-UHFFFAOYSA-N	-1	0	266.297	0.722	20	10		CCCDRM
CC(=O)C(=O)COC(=O)[C@@]1(C(=O)[O-])C[C@@H]1c1ccccc1	ZINC001589021038	985010745	/nfs/dbraw/zinc/01/07/45/985010745.db2.gz	JTEMAQZRFBBWQQ-ABAIWWIYSA-N	-1	0	290.271	0.946	20	10		CCCDRM
CC[C@@]1(C)NC(=O)N([N-]C(=O)c2cccc(O)c2O)C1=O	ZINC000279043478	523733739	/nfs/dbraw/zinc/73/37/39/523733739.db2.gz	CTVYYVPQPQQWAY-CYBMUJFWSA-N	-1	0	293.279	0.463	20	10		CCCDRM
COc1ccc(O)c(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])c1	ZINC000738043926	581243414	/nfs/dbraw/zinc/24/34/14/581243414.db2.gz	ILJRXYFJNFTANC-ZJUUUORDSA-N	-1	0	265.265	0.738	20	10		CCCDRM
COC(=O)C[C@H](NC(=O)C1=CC(=O)CS1)C(=O)[O-]	ZINC000831134503	616699714	/nfs/dbraw/zinc/69/97/14/616699714.db2.gz	QIOVBIYMFQLUHJ-LURJTMIESA-N	-1	0	273.266	0.200	20	10		CCCDRM
O=C([O-])C[C@H]1CN(C(=O)C2=CC(=O)CS2)CCO1	ZINC000833218432	601760423	/nfs/dbraw/zinc/76/04/23/601760423.db2.gz	XDEMJDDHTYXEQV-QMMMGPOBSA-N	-1	0	271.294	0.769	20	10		CCCDRM
CC(=O)C(=O)COC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C	ZINC000808544794	613659121	/nfs/dbraw/zinc/65/91/21/613659121.db2.gz	IVMFURCRCJYAME-QMMMGPOBSA-N	-1	0	297.229	0.391	20	10		CCCDRM
O=C([O-])CN(Cc1ccccc1O)C(=O)[C@H]1C[C@@H](O)C1	ZINC000911488269	636277049	/nfs/dbraw/zinc/27/70/49/636277049.db2.gz	JOGMSJUEPLCKLT-PHIMTYICSA-N	-1	0	279.292	0.576	20	10		CCCDRM
CC(=O)c1cc(O)c(O)cc1OC(=O)[C@H](O)CCC(=O)[O-]	ZINC001234473351	806256828	/nfs/dbraw/zinc/25/68/28/806256828.db2.gz	DZMUJOAHMZAAIN-MRVPVSSYSA-N	-1	0	298.247	0.432	20	10		CCCDRM
Nc1ccc(CC(=O)NCC(=O)CCC(=O)[O-])cc1	ZINC001220849274	804681456	/nfs/dbraw/zinc/68/14/56/804681456.db2.gz	XTTBOOROJSXCAL-UHFFFAOYSA-N	-1	0	264.281	0.361	20	10		CCCDRM
C[C@H]1CCc2c(sc([N-]S(N)(=O)=O)c2C(N)=O)C1	ZINC001260074168	808840681	/nfs/dbraw/zinc/84/06/81/808840681.db2.gz	CIADXDHROKDITR-YFKPBYRVSA-N	-1	0	289.382	0.587	20	10		CCCDRM
COC(=O)[C@H]1C[C@H](O)CN1Cc1ccc(F)c(F)c1[O-]	ZINC001262010668	809153752	/nfs/dbraw/zinc/15/37/52/809153752.db2.gz	LQSHWTSWZLIPBF-WCBMZHEXSA-N	-1	0	287.262	0.779	20	10		CCCDRM
CN1CC[C@]2(CCN(C(=O)c3cc([O-])[nH]c(=O)c3)C2)C1=O	ZINC001269381296	813349573	/nfs/dbraw/zinc/34/95/73/813349573.db2.gz	JEVNUBWZKJQPQF-CQSZACIVSA-N	-1	0	291.307	0.187	20	10		CCCDRM
CN(C)C(=O)[C@@]12C[C@@H]1CCN2C(=O)c1cc([O-])[nH]c(=O)c1	ZINC001270175833	813662569	/nfs/dbraw/zinc/66/25/69/813662569.db2.gz	JCHBRDNRIXVYMS-LKFCYVNXSA-N	-1	0	291.307	0.186	20	10		CCCDRM
NC(=O)CN1CCN(Cc2cc(F)cc(F)c2[O-])CC1	ZINC000708444710	819774250	/nfs/dbraw/zinc/77/42/50/819774250.db2.gz	TWGWXFQPRIQOFG-UHFFFAOYSA-N	-1	0	285.294	0.273	20	10		CCCDRM
O=C(NC1CC(=O)C1)c1cc(=O)n(-c2ccccc2)[n-]1	ZINC001147889726	840704161	/nfs/dbraw/zinc/70/41/61/840704161.db2.gz	PHXOZTPPYPAHNU-UHFFFAOYSA-N	-1	0	271.276	0.627	20	10		CCCDRM
O=C(NCCCC[P@@](=O)([O-])O)c1cccc(O)c1O	ZINC001148220118	840766009	/nfs/dbraw/zinc/76/60/09/840766009.db2.gz	RSWJWTUGCNHBET-UHFFFAOYSA-N	-1	0	289.224	0.786	20	10		CCCDRM
O=C(CCc1nnn[n-]1)NCc1c(O)cccc1F	ZINC001178413074	842843054	/nfs/dbraw/zinc/84/30/54/842843054.db2.gz	NEBBKJLCDRGYSP-UHFFFAOYSA-N	-1	0	265.248	0.293	20	10		CCCDRM
O=C(C=Cc1ccc(O)c(O)c1)NC1C(=O)N=CN=C1[O-]	ZINC001179683705	843038527	/nfs/dbraw/zinc/03/85/27/843038527.db2.gz	ZQEYFVROIPSARP-DUXPYHPUSA-N	-1	0	289.247	0.951	20	10		CCCDRM
O=S(=O)(NCCc1ccc(O)c(O)c1)c1ncc[n-]1	ZINC001190745864	845487654	/nfs/dbraw/zinc/48/76/54/845487654.db2.gz	QMHOFJLZNNHIOV-UHFFFAOYSA-N	-1	0	283.309	0.342	20	10		CCCDRM
O=C(NC[C@@H]1CNC(=O)O1)c1cc(O)c([O-])c(Cl)c1	ZINC001193635717	846131124	/nfs/dbraw/zinc/13/11/24/846131124.db2.gz	ZFQLIQGFTNEJCO-ZCFIWIBFSA-N	-1	0	286.671	0.589	20	10		CCCDRM
C[C@@H]1C(=O)NCCN1C(=O)c1cc(O)c([O-])c(Cl)c1	ZINC001193602527	846138238	/nfs/dbraw/zinc/13/82/38/846138238.db2.gz	COZJLPSYZDHTTP-ZCFIWIBFSA-N	-1	0	284.699	0.712	20	10		CCCDRM
O=C(CSc1n[nH]c(=O)[n-]1)NCc1ccccc1O	ZINC001294924329	906654912	/nfs/dbraw/zinc/65/49/12/906654912.db2.gz	AUNHYQKKZYYTET-UHFFFAOYSA-N	-1	0	280.309	0.624	20	10		CCCDRM
O=C([O-])[C@H](O)C[NH2+]Cc1c([O-])ccc(Cl)c1F	ZINC001331997477	917791657	/nfs/dbraw/zinc/79/16/57/917791657.db2.gz	DLLGCMGBWIAMKF-MRVPVSSYSA-N	-1	0	263.652	0.720	20	10		CCCDRM
O=C([O-])CCCNC(=O)Cc1ccc(O)c(O)c1	ZINC001595049144	951459944	/nfs/dbraw/zinc/45/99/44/951459944.db2.gz	QLPZLQJWKGIQNV-UHFFFAOYSA-N	-1	0	253.254	0.621	20	10		CCCDRM
O=C([O-])[C@]1(C(=O)NCc2ccc(O)cc2O)CCCO1	ZINC001594863331	954296199	/nfs/dbraw/zinc/29/61/99/954296199.db2.gz	NDUGSVYYGLVCQJ-CYBMUJFWSA-N	-1	0	281.264	0.348	20	10		CCCDRM
O=C([O-])C1(C(=O)NCc2ccc(O)cc2O)CC1	ZINC001594864000	954307129	/nfs/dbraw/zinc/30/71/29/954307129.db2.gz	ZSLURJIRRODZRJ-UHFFFAOYSA-N	-1	0	251.238	0.579	20	10		CCCDRM
O=C([O-])C1=NO[C@H](C(=O)NCc2cccc(Cl)c2O)C1	ZINC001594889396	954501294	/nfs/dbraw/zinc/50/12/94/954501294.db2.gz	LNTQALFJPZFQJT-VIFPVBQESA-N	-1	0	298.682	0.891	20	10		CCCDRM
Cn1nc(C(=O)[O-])cc1C(=O)N1Cc2cccc(O)c2C1	ZINC001594564138	955822700	/nfs/dbraw/zinc/82/27/00/955822700.db2.gz	NDHGWAQUYAVWLF-UHFFFAOYSA-N	-1	0	287.275	0.980	20	10		CCCDRM
CO[C@@H](C(=O)[O-])C(=O)Nc1c2nonc2ccc1Cl	ZINC001593911752	955972693	/nfs/dbraw/zinc/97/26/93/955972693.db2.gz	RHOFSPPSCQQNFH-MRVPVSSYSA-N	-1	0	285.643	0.914	20	10		CCCDRM
COCC[C@H](NC(=O)c1cccc(O)c1O)C(=O)[O-]	ZINC000126016074	958576984	/nfs/dbraw/zinc/57/69/84/958576984.db2.gz	GMWGPKFZZNNTQZ-QMMMGPOBSA-N	-1	0	269.253	0.317	20	10		CCCDRM
C[C@H](/C=C\C(=O)[O-])NC(=O)c1cccc(O)c1O	ZINC001592206619	977244345	/nfs/dbraw/zinc/24/43/45/977244345.db2.gz	UWBNVTVKIXTQJO-KXTMECRCSA-N	-1	0	251.238	0.857	20	10		CCCDRM
CN1C(=O)C(=Cc2cc(C(=O)[O-])co2)C(=O)N(C)C1=O	ZINC001598545883	992944857	/nfs/dbraw/zinc/94/48/57/992944857.db2.gz	NXCJOAXGKKXIET-UHFFFAOYSA-N	-1	0	278.220	0.412	20	10		CCCDRM
COC(=O)CC[C@@H](NC(=O)C1=CC(=O)CS1)C(=O)[O-]	ZINC001598857062	996647115	/nfs/dbraw/zinc/64/71/15/996647115.db2.gz	QRGAGMSNVGWSEH-SSDOTTSWSA-N	-1	0	287.293	0.590	20	10		CCCDRM
COc1ccc(N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)cc1	ZINC000091516292	349465773	/nfs/dbraw/zinc/46/57/73/349465773.db2.gz	HYVAJQRYIJJBSV-UHFFFAOYSA-N	-1	0	289.339	0.429	20	10		CCCDRM
CCC[C@@H](NC(=O)Cc1ccc(N)cc1)c1nnn[n-]1	ZINC000236847131	328003229	/nfs/dbraw/zinc/00/32/29/328003229.db2.gz	IQCYXBSXXCOXTF-LLVKDONJSA-N	-1	0	274.328	0.982	20	10		CCCDRM
O=C([N-]N1CCCCC1=O)c1c(F)ccc(O)c1O	ZINC000276518800	526843903	/nfs/dbraw/zinc/84/39/03/526843903.db2.gz	CECUNJXLRKYJFB-UHFFFAOYSA-N	-1	0	268.244	0.894	20	10		CCCDRM
Cn1nccc1/C=C1/C(=O)[N-]N(c2ccccc2)C1=O	ZINC000728697493	581367862	/nfs/dbraw/zinc/36/78/62/581367862.db2.gz	PGZKKUQMTLTFEB-XFXZXTDPSA-N	-1	0	268.276	0.882	20	10		CCCDRM
Cn1nnc(CNCc2cc(Cl)cc(F)c2[O-])n1	ZINC000787338163	581468026	/nfs/dbraw/zinc/46/80/26/581468026.db2.gz	WUUMWDWTBZGLIA-UHFFFAOYSA-N	-1	0	271.683	0.998	20	10		CCCDRM
O=C1N[C@@H](c2cc([N+](=O)[O-])ccc2[O-])N2CCSC[C@H]12	ZINC000765519433	581523424	/nfs/dbraw/zinc/52/34/24/581523424.db2.gz	YQCVHUBGKWLSOE-MWLCHTKSSA-N	-1	0	295.320	0.846	20	10		CCCDRM
Cc1ccc(C(=O)NCCNC(=O)[O-])c(O)c1O	ZINC000830217245	603582442	/nfs/dbraw/zinc/58/24/42/603582442.db2.gz	UKEMHJPKJPIRRQ-UHFFFAOYSA-N	-1	0	254.242	0.404	20	10		CCCDRM
C[C@H](CS(=O)(=O)N(C)Cc1ccccc1O)C(=O)[O-]	ZINC000833518796	605032004	/nfs/dbraw/zinc/03/20/04/605032004.db2.gz	JKSMTCMSULNRPW-SECBINFHSA-N	-1	0	287.337	0.875	20	10		CCCDRM
O=C([O-])N1CCO[C@H](C(=O)NCc2ccccc2O)C1	ZINC000831720516	605286579	/nfs/dbraw/zinc/28/65/79/605286579.db2.gz	YRGVEDIKNNGDDW-NSHDSACASA-N	-1	0	280.280	0.387	20	10		CCCDRM
O=C([O-])NCCCNC(=O)/C=C\c1ccc(O)c(O)c1	ZINC000834237564	605694764	/nfs/dbraw/zinc/69/47/64/605694764.db2.gz	HVKSZAOCKOEFIC-HYXAFXHYSA-N	-1	0	280.280	0.885	20	10		CCCDRM
O=C([O-])N1CC(CNC(=O)C2=CC(=O)CS2)C1	ZINC000834036636	605786096	/nfs/dbraw/zinc/78/60/96/605786096.db2.gz	NRWQHIIPUCBKDC-UHFFFAOYSA-N	-1	0	256.283	0.793	20	10		CCCDRM
CN(C)c1ccc(CNC(=O)COCC(=O)[O-])cc1F	ZINC000844245208	616014742	/nfs/dbraw/zinc/01/47/42/616014742.db2.gz	CQNFYTOKAYVFLY-UHFFFAOYSA-N	-1	0	284.287	0.609	20	10		CCCDRM
COCC1(O)CN(Cc2cc(F)cc(F)c2[O-])C1	ZINC000894980246	616797358	/nfs/dbraw/zinc/79/73/58/616797358.db2.gz	LXRNLHNQRQCRJM-UHFFFAOYSA-N	-1	0	259.252	0.864	20	10		CCCDRM
CO[N-]C(=O)CNC(=O)N1Cc2cccc(O)c2C1	ZINC000927219422	617112185	/nfs/dbraw/zinc/11/21/85/617112185.db2.gz	FLZSZYHRAXSWRN-UHFFFAOYSA-N	-1	0	265.269	0.095	20	10		CCCDRM
Cn1nccc1/C=C1\SC(=S)N(CC(=O)[O-])C1=O	ZINC000045111291	636880520	/nfs/dbraw/zinc/88/05/20/636880520.db2.gz	ZFUFBTZRBHFMEC-DAXSKMNVSA-N	-1	0	283.334	0.706	20	10		CCCDRM
CN1CCCc2cc(CNC(=O)c3n[nH]c(=O)[n-]3)ccc21	ZINC000057558817	636920184	/nfs/dbraw/zinc/92/01/84/636920184.db2.gz	WFIBHHLWVIRJPK-UHFFFAOYSA-N	-1	0	287.323	0.410	20	10		CCCDRM
COCCS(=O)(=O)[N-]c1sc(C)c(C)c1C(N)=O	ZINC001259965712	808828572	/nfs/dbraw/zinc/82/85/72/808828572.db2.gz	INRFVUMGWUXVGE-UHFFFAOYSA-N	-1	0	292.382	0.852	20	10		CCCDRM
O=C(CCCc1nnn[n-]1)NCc1ccc(O)cc1O	ZINC001142533623	815075593	/nfs/dbraw/zinc/07/55/93/815075593.db2.gz	OAODQZMTUNVOAE-UHFFFAOYSA-N	-1	0	277.284	0.250	20	10		CCCDRM
O=C(NCc1nc[nH]n1)c1cc(=O)n(-c2ccccc2)[n-]1	ZINC001147889601	840703706	/nfs/dbraw/zinc/70/37/06/840703706.db2.gz	MUMQYVOXABUXHO-UHFFFAOYSA-N	-1	0	284.279	0.214	20	10		CCCDRM
O=C(N[C@H]1[C@@H]2COC[C@@H]21)c1cc(=O)n(-c2ccccc2)[n-]1	ZINC001147893179	840707263	/nfs/dbraw/zinc/70/72/63/840707263.db2.gz	KYVCXNKPBGPDKG-YABSGUDNSA-N	-1	0	285.303	0.540	20	10		CCCDRM
C[C@@]1(O)CCN(C(=O)c2cc(=O)n(-c3ccccc3)[n-]2)C1	ZINC001147880452	840714398	/nfs/dbraw/zinc/71/43/98/840714398.db2.gz	AAMAWWIZRHSGRD-OAHLLOKOSA-N	-1	0	287.319	0.763	20	10		CCCDRM
O=C([O-])CCC(=O)CNC(=O)c1cccc(O)c1O	ZINC001148224900	840766871	/nfs/dbraw/zinc/76/68/71/840766871.db2.gz	YZABQFHFXJUIJJ-UHFFFAOYSA-N	-1	0	267.237	0.262	20	10		CCCDRM
O=C(Cc1ccc[nH]1)NCC(=O)c1ccc(O)c(O)c1	ZINC001177874636	842688427	/nfs/dbraw/zinc/68/84/27/842688427.db2.gz	IAFJFDLNEMTVCZ-UHFFFAOYSA-N	-1	0	274.276	0.968	20	10		CCCDRM
O=C(NCc1cccc(Cl)c1O)c1n[nH]c(=O)[n-]c1=O	ZINC001180410888	843172837	/nfs/dbraw/zinc/17/28/37/843172837.db2.gz	VBDDTQRVFMLJPL-UHFFFAOYSA-N	-1	0	296.670	0.572	20	10		CCCDRM
O=C(NCc1nnn[n-]1)c1ccc(O)c(O)c1Cl	ZINC001193236748	846031123	/nfs/dbraw/zinc/03/11/23/846031123.db2.gz	PTSQTLJFXCXOSK-UHFFFAOYSA-N	-1	0	269.648	0.194	20	10		CCCDRM
O=C(c1cc(O)c([O-])c(Cl)c1)N1CC(CO)C1	ZINC001193602970	846138372	/nfs/dbraw/zinc/13/83/72/846138372.db2.gz	JCCMVYNTFHSZIS-UHFFFAOYSA-N	-1	0	257.673	0.816	20	10		CCCDRM
COCC[C@@H](COC)NC(=O)c1cccc(O)c1O	ZINC000382021154	850445172	/nfs/dbraw/zinc/44/51/72/850445172.db2.gz	PIFZZILQANYQFF-VIFPVBQESA-N	-1	0	269.297	0.879	20	10		CCCDRM
C[C@@H](CN(C)C(=O)Cc1ccc(N)cc1)C(=O)[O-]	ZINC000386812340	853952210	/nfs/dbraw/zinc/95/22/10/853952210.db2.gz	QCUHZKLSZVBWHB-VIFPVBQESA-N	-1	0	250.298	0.990	20	10		CCCDRM
O=C([O-])[C@@H]1CC[C@@H]1C(=O)NCc1ccc(O)cc1O	ZINC001601539785	971011641	/nfs/dbraw/zinc/01/16/41/971011641.db2.gz	FRCOWYASJALIRN-VHSXEESVSA-N	-1	0	265.265	0.825	20	10		CCCDRM
O=C([O-])c1cc(NC(=O)c2cccc(O)c2O)[nH]n1	ZINC000126039650	949262339	/nfs/dbraw/zinc/26/23/39/949262339.db2.gz	OXAALVRKNSLEOF-UHFFFAOYSA-N	-1	0	263.209	0.771	20	10		CCCDRM
COCC[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)[O-]	ZINC001599215306	997572099	/nfs/dbraw/zinc/57/20/99/997572099.db2.gz	KBOAZRPOMUZBCF-RXNUUUNCSA-N	-1	0	295.291	0.717	20	10		CCCDRM
C[C@@H](CNC(=O)c1c(F)ccc(O)c1O)[NH+](C)C	ZINC000294968099	353891139	/nfs/dbraw/zinc/89/11/39/353891139.db2.gz	XDLGYTHTQXTUJH-ZETCQYMHSA-N	-1	0	256.277	0.917	20	10		CCCDRM
CN(C)S(=O)(=O)Nc1ccc([O-])c([N+](=O)[O-])c1	ZINC000133761304	389238837	/nfs/dbraw/zinc/23/88/37/389238837.db2.gz	WFTWWDAHENYQMM-UHFFFAOYSA-N	-1	0	261.259	0.519	20	10		CCCDRM
Cc1ccc(C(=O)N2CCN(C[C@@H](C)O)CC2)c(O)c1O	ZINC000186798939	262110237	/nfs/dbraw/zinc/11/02/37/262110237.db2.gz	PTKNQXQCOGUBSK-LLVKDONJSA-N	-1	0	294.351	0.545	20	10		CCCDRM
CN(Cc1ccccc1O)C(=O)CSc1n[nH]c(=O)[n-]1	ZINC000274910887	523379382	/nfs/dbraw/zinc/37/93/82/523379382.db2.gz	UDFBDIMCEULNCH-UHFFFAOYSA-N	-1	0	294.336	0.554	20	10		CCCDRM
CN(CCNC(=O)NCc1ccccc1O)C(=O)[O-]	ZINC000739693747	581595286	/nfs/dbraw/zinc/59/52/86/581595286.db2.gz	YKBLHXXROLSPPD-UHFFFAOYSA-N	-1	0	267.285	0.801	20	10		CCCDRM
O=C(C1=CC(=O)CS1)N1CCO[C@@H](c2nnn[n-]2)C1	ZINC000738246650	582031526	/nfs/dbraw/zinc/03/15/26/582031526.db2.gz	HFKCFGBDUMQRIB-SSDOTTSWSA-N	-1	0	281.297	0.181	20	10		CCCDRM
O=C([O-])C[C@@H]1CN(Cc2cc3c(cc2O)OCO3)CCO1	ZINC000833219861	601375867	/nfs/dbraw/zinc/37/58/67/601375867.db2.gz	JYVCTRMNUHJIDU-SNVBAGLBSA-N	-1	0	295.291	0.796	20	10		CCCDRM
O=C([O-])N1CC(CC(=O)NCc2ccc(O)c(O)c2)C1	ZINC000831361000	605523029	/nfs/dbraw/zinc/52/30/29/605523029.db2.gz	UNMGBJFQXJCJDA-UHFFFAOYSA-N	-1	0	280.280	0.714	20	10		CCCDRM
COc1cc([N-]S(=O)(=O)c2cn(C)cn2)ccc1O	ZINC000797820369	617207349	/nfs/dbraw/zinc/20/73/49/617207349.db2.gz	UMOJOBDLXFIRLG-UHFFFAOYSA-N	-1	0	283.309	0.935	20	10		CCCDRM
CC(=O)C(=O)COC(=O)c1cc(F)c([O-])c(F)c1	ZINC000808523648	613660467	/nfs/dbraw/zinc/66/04/67/613660467.db2.gz	UAKBPNMTIBLQDN-UHFFFAOYSA-N	-1	0	258.176	0.985	20	10		CCCDRM
CC(C)(O)[C@H](O)C(=O)NCc1c(O)cccc1F	ZINC000928710816	614219591	/nfs/dbraw/zinc/21/95/91/614219591.db2.gz	KILOUWGJPOPMDY-SNVBAGLBSA-N	-1	0	257.261	0.279	20	10		CCCDRM
CN(CC[S@@](C)=O)c1ccc(OCC(=O)[O-])cc1	ZINC000846279802	616123667	/nfs/dbraw/zinc/12/36/67/616123667.db2.gz	LPWNRQULQNWRDJ-GOSISDBHSA-N	-1	0	271.338	0.965	20	10		CCCDRM
COC[C@H](OC)C(=O)N(CC(=O)[O-])Cc1ccccc1O	ZINC000911493328	616751571	/nfs/dbraw/zinc/75/15/71/616751571.db2.gz	MSRCOUWMDBPNHP-LBPRGKRZSA-N	-1	0	297.307	0.467	20	10		CCCDRM
O=C(NCCCSc1nccs1)c1n[nH]c(=O)[n-]1	ZINC000077013789	624868451	/nfs/dbraw/zinc/86/84/51/624868451.db2.gz	YKSCTZXFOBDQQN-UHFFFAOYSA-N	-1	0	285.354	0.467	20	10		CCCDRM
NC(=O)[C@H]1CN(Cc2cc(F)cc(F)c2[O-])CCO1	ZINC000893987453	631496122	/nfs/dbraw/zinc/49/61/22/631496122.db2.gz	RKWWSZXLFFPVMQ-SNVBAGLBSA-N	-1	0	272.251	0.357	20	10		CCCDRM
O=C([O-])CN(Cc1ccccc1O)C(=O)[C@@H](O)C1CCC1	ZINC000911488722	636277323	/nfs/dbraw/zinc/27/73/23/636277323.db2.gz	NJQPPKLFENGSBJ-AWEZNQCLSA-N	-1	0	293.319	0.966	20	10		CCCDRM
C[C@H](CNC(=O)NCc1ccccc1O)C(=O)[O-]	ZINC000848585244	643655858	/nfs/dbraw/zinc/65/58/58/643655858.db2.gz	NMOAZLIKNJRPKC-MRVPVSSYSA-N	-1	0	252.270	0.912	20	10		CCCDRM
O=C1CN(Cc2ccc(F)c(F)c2[O-])CCCN1	ZINC000876640382	646636503	/nfs/dbraw/zinc/63/65/03/646636503.db2.gz	SORPKHFZNDVMDD-UHFFFAOYSA-N	-1	0	256.252	0.992	20	10		CCCDRM
NS(=O)(=O)[C@@H]1CCN(Cc2ccc(F)c(F)c2[O-])C1	ZINC000877465299	646818517	/nfs/dbraw/zinc/81/85/17/646818517.db2.gz	SPZLKFONVFXDJB-MRVPVSSYSA-N	-1	0	292.307	0.533	20	10		CCCDRM
O=C([O-])c1ccc(CN2CCn3ncnc3C2)c(O)c1	ZINC001231446237	805803190	/nfs/dbraw/zinc/80/31/90/805803190.db2.gz	FULNKZZIBITLIY-UHFFFAOYSA-N	-1	0	274.280	0.698	20	10		CCCDRM
CS(=O)(=O)C1CN(Cc2ccc(C(=O)[O-])cc2O)C1	ZINC001231452339	805806189	/nfs/dbraw/zinc/80/61/89/805806189.db2.gz	MAWQFDVTYDLMIT-UHFFFAOYSA-N	-1	0	285.321	0.319	20	10		CCCDRM
NC(=O)N1CCN(Cc2ccc(C(=O)[O-])cc2O)CC1	ZINC001231451646	805807337	/nfs/dbraw/zinc/80/73/37/805807337.db2.gz	OAVHADZDTYYUMC-UHFFFAOYSA-N	-1	0	279.296	0.287	20	10		CCCDRM
CS(=O)(=O)C1CN(Cc2cc(C(=O)[O-])ccc2O)C1	ZINC001231565065	805818469	/nfs/dbraw/zinc/81/84/69/805818469.db2.gz	PBCCGGRZAYKMER-UHFFFAOYSA-N	-1	0	285.321	0.319	20	10		CCCDRM
C[C@@H]1C(=O)N(C)CCN1Cc1cc(C(=O)[O-])ccc1O	ZINC001231565261	805818897	/nfs/dbraw/zinc/81/88/97/805818897.db2.gz	CLDYJKARDZUELY-SECBINFHSA-N	-1	0	278.308	0.753	20	10		CCCDRM
COC[C@@H]1CN(Cc2cc(C(=O)[O-])ccc2O)CCO1	ZINC001231565248	805819038	/nfs/dbraw/zinc/81/90/38/805819038.db2.gz	CBXDRJUVVRZRLB-LBPRGKRZSA-N	-1	0	281.308	0.938	20	10		CCCDRM
O=S1(=O)CCN(Cc2c([O-])cc(F)cc2F)CC1	ZINC001140581742	799923017	/nfs/dbraw/zinc/92/30/17/799923017.db2.gz	YTADEPYJJLULIZ-UHFFFAOYSA-N	-1	0	277.292	0.901	20	10		CCCDRM
[O-]c1cc(F)cc(F)c1CN1CCOC[C@@H](O)C1	ZINC001140583203	799923495	/nfs/dbraw/zinc/92/34/95/799923495.db2.gz	YZSHWXXGSYFPNH-VIFPVBQESA-N	-1	0	259.252	0.864	20	10		CCCDRM
Cn1ccc(S(=O)(=O)[N-]c2cccc(O)c2O)n1	ZINC001259943280	808815601	/nfs/dbraw/zinc/81/56/01/808815601.db2.gz	NKMAWILNPWIZMQ-UHFFFAOYSA-N	-1	0	269.282	0.632	20	10		CCCDRM
O=C([O-])C1=S=C(C(=O)Nc2ccnc3ccnn32)C=C1	ZINC000740115536	820207830	/nfs/dbraw/zinc/20/78/30/820207830.db2.gz	ZONFQSQVVXYUGU-UHFFFAOYSA-N	-1	0	288.288	0.400	20	10		CCCDRM
O=C(CNC(=O)c1ncccn1)c1ccc(O)c(O)c1	ZINC001147418762	840589177	/nfs/dbraw/zinc/58/91/77/840589177.db2.gz	CPVHZRNFVFEQCS-UHFFFAOYSA-N	-1	0	273.248	0.501	20	10		CCCDRM
Cn1cnc(NC(=O)c2cc(=O)n(-c3ccccc3)[n-]2)n1	ZINC001147878741	840712821	/nfs/dbraw/zinc/71/28/21/840712821.db2.gz	QXHCYEYTTRSADQ-UHFFFAOYSA-N	-1	0	284.279	0.547	20	10		CCCDRM
Cn1ccnc1CNC(=O)c1cc(=O)n(-c2ccccc2)[n-]1	ZINC001147878383	840714138	/nfs/dbraw/zinc/71/41/38/840714138.db2.gz	DWSWBXZCWULKOJ-UHFFFAOYSA-N	-1	0	297.318	0.829	20	10		CCCDRM
C[C@H](NCc1cc([N+](=O)[O-])ccc1[O-])c1nnnn1C	ZINC001179733799	843040706	/nfs/dbraw/zinc/04/07/06/843040706.db2.gz	KMFUHIKFLPBLST-ZETCQYMHSA-N	-1	0	278.272	0.675	20	10		CCCDRM
CN1C[C@@H](CNC(=O)c2cc(O)c([O-])c(Cl)c2)CC1=O	ZINC001193625491	846128487	/nfs/dbraw/zinc/12/84/87/846128487.db2.gz	IXQNKOWJQQZLRA-SSDOTTSWSA-N	-1	0	298.726	0.959	20	10		CCCDRM
NC(=O)[C@@]12C[C@@H]1CN(C(=O)c1cc(O)c([O-])c(Cl)c1)C2	ZINC001276215806	901970374	/nfs/dbraw/zinc/97/03/74/901970374.db2.gz	JCJCDXVOQPCVCH-FUXBKTLASA-N	-1	0	296.710	0.699	20	10		CCCDRM
O=C(CO[C@H]1CCOC1)NCc1c(O)cccc1F	ZINC001334373835	919532823	/nfs/dbraw/zinc/53/28/23/919532823.db2.gz	HRUBFODREDETJF-VIFPVBQESA-N	-1	0	269.272	0.953	20	10		CCCDRM
COC(=O)[C@@H](NCc1ccc(F)c(F)c1[O-])[C@@H](C)O	ZINC001350338105	925174527	/nfs/dbraw/zinc/17/45/27/925174527.db2.gz	JNJUPIQHCOKPIU-LDWIPMOCSA-N	-1	0	275.251	0.682	20	10		CCCDRM
Cc1ccc(O)c(CNC(=O)COCC(=O)[O-])c1	ZINC001600465264	970813369	/nfs/dbraw/zinc/81/33/69/970813369.db2.gz	VSEONIJHHIQQNC-UHFFFAOYSA-N	-1	0	253.254	0.418	20	10		CCCDRM
O=C([O-])C1=NO[C@@H](C(=O)NCc2cccc(Cl)c2O)C1	ZINC001594889394	954501581	/nfs/dbraw/zinc/50/15/81/954501581.db2.gz	LNTQALFJPZFQJT-SECBINFHSA-N	-1	0	298.682	0.891	20	10		CCCDRM
CO[C@H](C(=O)[O-])C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	ZINC001593923435	956103180	/nfs/dbraw/zinc/10/31/80/956103180.db2.gz	WGLJMDOPTDGMHP-HQJQHLMTSA-N	-1	0	283.280	0.245	20	10		CCCDRM
COc1ccc(CN2CCO[C@H](C(=O)[O-])C2)c(O)c1OC	ZINC001594094741	958393955	/nfs/dbraw/zinc/39/39/55/958393955.db2.gz	VYLVTGPSKSVMFB-NSHDSACASA-N	-1	0	297.307	0.695	20	10		CCCDRM
O=C([O-])[C@]1(C(=O)NCc2ccc(O)c(O)c2)CCCO1	ZINC001605930836	972858671	/nfs/dbraw/zinc/85/86/71/972858671.db2.gz	KNYQVAFWUUHPQP-CYBMUJFWSA-N	-1	0	281.264	0.348	20	10		CCCDRM
CCN(CC(=O)NCC(=O)[O-])c1ccc(OC)c(OC)c1	ZINC000294811923	199193219	/nfs/dbraw/zinc/19/32/19/199193219.db2.gz	QMFLWHDTBJVFAE-UHFFFAOYSA-N	-1	0	296.323	0.731	20	10		CCCDRM
C[C@]1(NC(=O)c2cccc(O)c2O)CCS(=O)(=O)C1	ZINC000126357830	260351561	/nfs/dbraw/zinc/35/15/61/260351561.db2.gz	ZQPVCXVPMIEDIQ-LBPRGKRZSA-N	-1	0	285.321	0.405	20	10		CCCDRM
COCCn1cc(CNC(=O)c2cccc(O)c2O)cn1	ZINC000282751116	263078639	/nfs/dbraw/zinc/07/86/39/263078639.db2.gz	JTTZQXTZFDJIRG-UHFFFAOYSA-N	-1	0	291.307	0.871	20	10		CCCDRM
O=C(C=Cc1ccc(O)c(O)c1)NCc1n[nH]c(=O)[n-]1	ZINC000779530120	581188905	/nfs/dbraw/zinc/18/89/05/581188905.db2.gz	HPHONJRDXOLHDV-DUXPYHPUSA-N	-1	0	276.252	0.251	20	10		CCCDRM
Cc1cc(Cl)cc(CN2CCN(C(=O)CO)CC2)c1O	ZINC000793596045	581303982	/nfs/dbraw/zinc/30/39/82/581303982.db2.gz	XLJIIGIEOPUQSW-UHFFFAOYSA-N	-1	0	298.770	0.991	20	10		CCCDRM
COc1cccc(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])c1O	ZINC000738097310	581358234	/nfs/dbraw/zinc/35/82/34/581358234.db2.gz	OMQRORDDWSTQJN-BDAKNGLRSA-N	-1	0	265.265	0.738	20	10		CCCDRM
CCNC(=O)CN(C)Cc1cc2c(cc1O)OC[C@@H]2O	ZINC000768441293	582106563	/nfs/dbraw/zinc/10/65/63/582106563.db2.gz	YDWUXEPKWVGFQY-LBPRGKRZSA-N	-1	0	280.324	0.386	20	10		CCCDRM
COc1cc(CN2CCO[C@H](C(=O)[O-])C2)c(O)cc1C	ZINC000820764025	617186223	/nfs/dbraw/zinc/18/62/23/617186223.db2.gz	UDYLVABWNAJVAW-ZDUSSCGKSA-N	-1	0	281.308	0.995	20	10		CCCDRM
C[C@H](CC(=O)NCc1ccc(O)c(O)c1)NC(=O)[O-]	ZINC000824664569	605520601	/nfs/dbraw/zinc/52/06/01/605520601.db2.gz	NCYJPVIPRFNWGT-SSDOTTSWSA-N	-1	0	268.269	0.760	20	10		CCCDRM
O=C([O-])N[C@H]1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)C1	ZINC000834187495	605698702	/nfs/dbraw/zinc/69/87/02/605698702.db2.gz	YLIPYLYKAXZDTK-GQPNGRKGSA-N	-1	0	292.291	0.980	20	10		CCCDRM
O=C([O-])N1C[C@H](O)C[C@H]1C(=O)NCc1ccccc1O	ZINC000831720067	605828019	/nfs/dbraw/zinc/82/80/19/605828019.db2.gz	PGPDTYUEDFHPSD-ZJUUUORDSA-N	-1	0	280.280	0.122	20	10		CCCDRM
CN(C)c1ccc(CN(C)C(=O)CCc2nnn[n-]2)cc1	ZINC000864634632	616166750	/nfs/dbraw/zinc/16/67/50/616166750.db2.gz	TUTFINZDIBZDCT-UHFFFAOYSA-N	-1	0	288.355	0.857	20	10		CCCDRM
CO[N-]C(=O)C[NH2+]Cc1cccc(Br)c1[O-]	ZINC000922829965	617117787	/nfs/dbraw/zinc/11/77/87/617117787.db2.gz	KOSCRUJAPAVLOD-UHFFFAOYSA-N	-1	0	289.129	0.922	20	10		CCCDRM
CN(C)c1ccc(CNS(=O)(=O)c2ncc[n-]2)cc1	ZINC000312026114	631039553	/nfs/dbraw/zinc/03/95/53/631039553.db2.gz	ZWDGLUFQBOUNBV-UHFFFAOYSA-N	-1	0	280.353	0.954	20	10		CCCDRM
O=C([O-])C1(C(=O)NCc2ccccc2O)CCOCC1	ZINC000911327416	636225619	/nfs/dbraw/zinc/22/56/19/636225619.db2.gz	FMDSOUWHWSAMNX-UHFFFAOYSA-N	-1	0	279.292	0.890	20	10		CCCDRM
[O-]c1c(CN2CCn3c(CO)nnc3C2)ccc(F)c1F	ZINC000876777947	646661989	/nfs/dbraw/zinc/66/19/89/646661989.db2.gz	UFLAMSNEEVXLOO-UHFFFAOYSA-N	-1	0	296.277	0.770	20	10		CCCDRM
CCc1c(C)sc([N-]S(=O)(=O)N(C)C)c1C(N)=O	ZINC001251051391	807650686	/nfs/dbraw/zinc/65/06/86/807650686.db2.gz	IHYVZGRTEHWJIW-UHFFFAOYSA-N	-1	0	291.398	0.936	20	10		CCCDRM
CO[N-]C(=O)CNC(=O)N[C@H](C)c1cc(OC)ccc1O	ZINC001251349949	807680035	/nfs/dbraw/zinc/68/00/35/807680035.db2.gz	JXGHOHBFKYVVKN-MRVPVSSYSA-N	-1	0	297.311	0.439	20	10		CCCDRM
O=C([O-])c1ccc(NCC(=O)c2ccc(O)c(O)c2)nn1	ZINC001170316446	837301205	/nfs/dbraw/zinc/30/12/05/837301205.db2.gz	RRAGLZJREJGMDZ-UHFFFAOYSA-N	-1	0	289.247	0.881	20	10		CCCDRM
O=C(NCC1(O)CCC1)c1cc(=O)n(-c2ccccc2)[n-]1	ZINC001147889299	840704311	/nfs/dbraw/zinc/70/43/11/840704311.db2.gz	FQJNCYDBKUGNRV-UHFFFAOYSA-N	-1	0	287.319	0.811	20	10		CCCDRM
Cc1nnc(CNC(=O)c2cc(=O)n(-c3ccccc3)[n-]2)o1	ZINC001147894093	840706896	/nfs/dbraw/zinc/70/68/96/840706896.db2.gz	XSQBOKDZKRLFHF-UHFFFAOYSA-N	-1	0	299.290	0.787	20	10		CCCDRM
COCC1CN(C(=O)c2cc(=O)n(-c3ccccc3)[n-]2)C1	ZINC001147878895	840714150	/nfs/dbraw/zinc/71/41/50/840714150.db2.gz	WSROWGYIJNGXSZ-UHFFFAOYSA-N	-1	0	287.319	0.884	20	10		CCCDRM
O=S(=O)([N-]c1ccc(O)cc1O)c1ncc[nH]1	ZINC001190683151	845463925	/nfs/dbraw/zinc/46/39/25/845463925.db2.gz	IAYRMFXGOKAQAL-UHFFFAOYSA-N	-1	0	255.255	0.622	20	10		CCCDRM
O=C(NCC1OCCO1)c1cc(O)c([O-])c(Cl)c1	ZINC001193625046	846128432	/nfs/dbraw/zinc/12/84/32/846128432.db2.gz	DKUZGFCBCGYFRG-UHFFFAOYSA-N	-1	0	273.672	0.854	20	10		CCCDRM
NC(=O)CCNC(=O)c1cc(O)c([O-])c(Cl)c1	ZINC001193625013	846128524	/nfs/dbraw/zinc/12/85/24/846128524.db2.gz	CVSBACFBQGIOIB-UHFFFAOYSA-N	-1	0	258.661	0.356	20	10		CCCDRM
CC(=O)N1CC(NC(=O)c2cc(O)c([O-])c(Cl)c2)C1	ZINC001193634231	846131411	/nfs/dbraw/zinc/13/14/11/846131411.db2.gz	SSONGSWKNDTWMV-UHFFFAOYSA-N	-1	0	284.699	0.712	20	10		CCCDRM
CC(=O)N1CCC(NC(=O)c2cccc(O)c2O)CC1	ZINC000689585418	854905324	/nfs/dbraw/zinc/90/53/24/854905324.db2.gz	LSGIUGYBNJJEJL-UHFFFAOYSA-N	-1	0	278.308	0.839	20	10		CCCDRM
C[C@H]1CN(Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)CCO1	ZINC001326488361	913985040	/nfs/dbraw/zinc/98/50/40/913985040.db2.gz	UKMPEZSUACVCBT-QMMMGPOBSA-N	-1	0	292.295	0.354	20	10		CCCDRM
Cc1ccc(O)c(CNC(=O)NCCOCC(=O)[O-])c1	ZINC001600464436	970813094	/nfs/dbraw/zinc/81/30/94/970813094.db2.gz	BTGRSUCJYQEWJL-UHFFFAOYSA-N	-1	0	282.296	0.601	20	10		CCCDRM
COc1ccc(N2CCN(C(=O)C(=O)[O-])CC2)cc1	ZINC000002457428	948765083	/nfs/dbraw/zinc/76/50/83/948765083.db2.gz	QIBJMGLQZHUBPU-UHFFFAOYSA-N	-1	0	264.281	0.428	20	10		CCCDRM
CC[C@H](CNC(=O)c1cccc(O)c1O)C(=O)[O-]	ZINC000126044258	949262060	/nfs/dbraw/zinc/26/20/60/949262060.db2.gz	YXZAKVZDOCGOOY-SSDOTTSWSA-N	-1	0	253.254	0.938	20	10		CCCDRM
Cc1ccc(C(=O)Nc2cnn(CC(=O)[O-])c2)c(O)c1O	ZINC001594347756	958331177	/nfs/dbraw/zinc/33/11/77/958331177.db2.gz	RYDDXHXFSJOPCO-UHFFFAOYSA-N	-1	0	291.263	0.940	20	10		CCCDRM
CCC[C@@H]1C(=O)NCCN1C(=O)c1cccc(O)c1O	ZINC000193151193	351813589	/nfs/dbraw/zinc/81/35/89/351813589.db2.gz	WVYCLSWPPUPDLY-SNVBAGLBSA-N	-1	0	278.308	0.839	20	10		CCCDRM
O=C([O-])/C=C/c1ccc(N2CC(O)C2)c([N+](=O)[O-])c1	ZINC000739623992	581582882	/nfs/dbraw/zinc/58/28/82/581582882.db2.gz	IGZYJTRNWRTFBN-DUXPYHPUSA-N	-1	0	264.237	0.874	20	10		CCCDRM
O=C(NCc1c(O)ccc2c1CCCC2)c1cc(=O)[nH][n-]1	ZINC000743719697	581823768	/nfs/dbraw/zinc/82/37/68/581823768.db2.gz	OWISHEWBPSVGGH-UHFFFAOYSA-N	-1	0	287.319	0.763	20	10		CCCDRM
CC(C)NC(=O)CN(C)Cc1cc2c(cc1O)OC[C@@H]2O	ZINC000768441851	582106700	/nfs/dbraw/zinc/10/67/00/582106700.db2.gz	LDJCRAWWXJSXGC-ZDUSSCGKSA-N	-1	0	294.351	0.774	20	10		CCCDRM
O=C([O-])[C@H]1CN(Cc2cc3c(cc2O)OC[C@@H]3O)CCO1	ZINC000821513612	598098343	/nfs/dbraw/zinc/09/83/43/598098343.db2.gz	ZIERAWPWUAXDOD-WCQYABFASA-N	-1	0	295.291	0.103	20	10		CCCDRM
COc1ccc2c(c1)CCN2Cc1cn(CC(=O)[O-])nn1	ZINC000859780905	617283975	/nfs/dbraw/zinc/28/39/75/617283975.db2.gz	GJZLYVJXCGFUCG-UHFFFAOYSA-N	-1	0	288.307	0.934	20	10		CCCDRM
CCO[N-]C(=O)CNC(=O)N[C@@H](C)c1ccccc1O	ZINC000868748237	615365275	/nfs/dbraw/zinc/36/52/75/615365275.db2.gz	OIFHDZDVXWVBCL-VIFPVBQESA-N	-1	0	281.312	0.820	20	10		CCCDRM
CN(C)c1ccc(CNC(=O)NC2CN(C(=O)[O-])C2)cc1	ZINC000828068602	616014955	/nfs/dbraw/zinc/01/49/55/616014955.db2.gz	UDQLWTUKIIYCEH-UHFFFAOYSA-N	-1	0	292.339	0.914	20	10		CCCDRM
COC[C@@](C)(NC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)[O-]	ZINC000833720969	617019987	/nfs/dbraw/zinc/01/99/87/617019987.db2.gz	IVNMWKZTHNIPNM-KXQLTZBTSA-N	-1	0	295.291	0.717	20	10		CCCDRM
C[C@@H]1CN(Cc2cc(F)cc(F)c2[O-])CC(=O)N1	ZINC000894903699	631880421	/nfs/dbraw/zinc/88/04/21/631880421.db2.gz	TZGKFLUXHAJRIE-SSDOTTSWSA-N	-1	0	256.252	0.991	20	10		CCCDRM
Nc1ccc(CC(=O)[N-]S(=O)(=O)[C@@H]2CCCOC2)cc1	ZINC000901032263	634156560	/nfs/dbraw/zinc/15/65/60/634156560.db2.gz	OCFTVCITZXCUFU-GFCCVEGCSA-N	-1	0	298.364	0.436	20	10		CCCDRM
COC(=O)c1cnc(Sc2c(C)[n-][nH]c2=O)s1	ZINC000917779073	637987276	/nfs/dbraw/zinc/98/72/76/637987276.db2.gz	XIUBQDAXQSNFAH-ZCFIWIBFSA-N	-1	0	271.323	0.896	20	10		CCCDRM
NC(=O)C[C@H]1CN(Cc2ccc(F)c(F)c2[O-])CCO1	ZINC000877658446	646832947	/nfs/dbraw/zinc/83/29/47/646832947.db2.gz	RNMIMDWTTNIJLD-VIFPVBQESA-N	-1	0	286.278	0.747	20	10		CCCDRM
CC1(C)C(=O)NCCN1Cc1cc(C(=O)[O-])ccc1O	ZINC001231564218	805817000	/nfs/dbraw/zinc/81/70/00/805817000.db2.gz	PWDFFRZHPPMLSG-UHFFFAOYSA-N	-1	0	278.308	0.801	20	10		CCCDRM
COC(=O)[C@@H]1CCN1Cc1cc(C(=O)[O-])ccc1O	ZINC001231561311	805817746	/nfs/dbraw/zinc/81/77/46/805817746.db2.gz	RZRVKWHAFZJLQF-JTQLQIEISA-N	-1	0	265.265	0.838	20	10		CCCDRM
OC[C@@H]1CN(Cc2c(O)ccc(F)c2F)CCO1	ZINC001233332649	806042472	/nfs/dbraw/zinc/04/24/72/806042472.db2.gz	SHIJDVPYCCEFBD-QMMMGPOBSA-N	-1	0	259.252	0.864	20	10		CCCDRM
COc1cc(O)ccc1[N-]S(=O)(=O)CS(C)(=O)=O	ZINC001260592416	808871929	/nfs/dbraw/zinc/87/19/29/808871929.db2.gz	HIVQVPNNCWGJFM-UHFFFAOYSA-N	-1	0	295.338	0.145	20	10		CCCDRM
Cc1ccc(C(=O)NCc2nc([O-])cc(=O)[nH]2)c(O)c1O	ZINC001168430065	816281124	/nfs/dbraw/zinc/28/11/24/816281124.db2.gz	JUOOIRLOKCKUSA-UHFFFAOYSA-N	-1	0	291.263	0.537	20	10		CCCDRM
O=C(NOC[C@@H]1CCOC1)c1c(F)ccc(O)c1[O-]	ZINC001183218469	843980024	/nfs/dbraw/zinc/98/00/24/843980024.db2.gz	LFBHIFSXGVLMOR-SSDOTTSWSA-N	-1	0	271.244	0.935	20	10		CCCDRM
O=C(NOC[C@H]1CCOC1)c1c(F)ccc(O)c1[O-]	ZINC001183218470	843980225	/nfs/dbraw/zinc/98/02/25/843980225.db2.gz	LFBHIFSXGVLMOR-ZETCQYMHSA-N	-1	0	271.244	0.935	20	10		CCCDRM
Nc1nc(=O)c(F)cn1C(=O)c1cc(O)c([O-])c(Cl)c1	ZINC001193626302	846129778	/nfs/dbraw/zinc/12/97/78/846129778.db2.gz	UKFQRFBMHALSDK-UHFFFAOYSA-N	-1	0	299.645	0.960	20	10		CCCDRM
COc1cc(O)ccc1[N-]S(=O)(=O)c1nccn1C	ZINC001193604147	846137636	/nfs/dbraw/zinc/13/76/36/846137636.db2.gz	NOKOYIMQXGPRAQ-UHFFFAOYSA-N	-1	0	283.309	0.935	20	10		CCCDRM
CO[C@@H](C[NH2+]Cc1cc(F)cc(F)c1[O-])C(=O)[O-]	ZINC001119611025	856776249	/nfs/dbraw/zinc/77/62/49/856776249.db2.gz	BLSSFDGWEUTOQG-VIFPVBQESA-N	-1	0	261.224	0.860	20	10		CCCDRM
O=C(c1c(F)ccc(O)c1O)N1CC(O)(C2CC2)C1	ZINC001325197795	913271484	/nfs/dbraw/zinc/27/14/84/913271484.db2.gz	VBYYINQEZLWCAD-UHFFFAOYSA-N	-1	0	267.256	0.834	20	10		CCCDRM
CC(=O)N1CCC(NC(=O)c2c(F)ccc(O)c2O)CC1	ZINC001306189015	908242114	/nfs/dbraw/zinc/24/21/14/908242114.db2.gz	BPQFMUNPLIUXOV-UHFFFAOYSA-N	-1	0	296.298	0.978	20	10		CCCDRM
CC[C@@H](CNC(=O)c1cccc(O)c1O)C(=O)[O-]	ZINC000126044020	949261715	/nfs/dbraw/zinc/26/17/15/949261715.db2.gz	YXZAKVZDOCGOOY-ZETCQYMHSA-N	-1	0	253.254	0.938	20	10		CCCDRM
O=C([O-])c1cnc(C(=O)NCc2c(O)cccc2O)cn1	ZINC001595268185	949785940	/nfs/dbraw/zinc/78/59/40/949785940.db2.gz	QPMVKLBGLXEQMI-UHFFFAOYSA-N	-1	0	289.247	0.516	20	10		CCCDRM
O=C([O-])[C@H](C(=O)NCCc1ccc(O)c(O)c1)C1CC1	ZINC001594833575	954005196	/nfs/dbraw/zinc/00/51/96/954005196.db2.gz	JLTYJCUZJUGYKL-LBPRGKRZSA-N	-1	0	279.292	0.867	20	10		CCCDRM
Cn1nc(C(=O)[O-])cc1C(=O)NCc1ccc(O)c(O)c1	ZINC001594565896	955844643	/nfs/dbraw/zinc/84/46/43/955844643.db2.gz	SMDGSMUKCZXECU-UHFFFAOYSA-N	-1	0	291.263	0.460	20	10		CCCDRM
COc1ccc(CNC(=O)[C@]2(C(=O)[O-])CCCO2)c(O)c1	ZINC001594093915	958381470	/nfs/dbraw/zinc/38/14/70/958381470.db2.gz	AIFYIYJEAQJTBS-AWEZNQCLSA-N	-1	0	295.291	0.651	20	10		CCCDRM
Cc1ccc(O)c(CNC(=O)[C@@]2(C(=O)[O-])CCCO2)c1	ZINC001594373215	958561336	/nfs/dbraw/zinc/56/13/36/958561336.db2.gz	JHLCHNAXVVCVLK-CQSZACIVSA-N	-1	0	279.292	0.951	20	10		CCCDRM
COc1cccc(CNC(=O)[C@@H]2CC(C(=O)[O-])=NO2)c1O	ZINC001594128045	958646758	/nfs/dbraw/zinc/64/67/58/958646758.db2.gz	CDFCWGDMJFTLCN-JTQLQIEISA-N	-1	0	294.263	0.247	20	10		CCCDRM
COc1cccc(CNC(=O)[C@@H](OC)C(=O)[O-])c1O	ZINC001594128570	958651405	/nfs/dbraw/zinc/65/14/05/958651405.db2.gz	XGUPNLNQDSKSOH-SNVBAGLBSA-N	-1	0	269.253	0.117	20	10		CCCDRM
Cc1ccc(O)c(CNC(=O)c2cn(CC(=O)[O-])nn2)c1	ZINC001574375438	961092430	/nfs/dbraw/zinc/09/24/30/961092430.db2.gz	SXYRTTWMWIFVKG-UHFFFAOYSA-N	-1	0	290.279	0.307	20	10		CCCDRM
Cn1nccc1[C@@H](NC(=O)c1cccc(O)c1O)C(=O)[O-]	ZINC000402812075	973650984	/nfs/dbraw/zinc/65/09/84/973650984.db2.gz	JZMSUZIBNRIKEX-SNVBAGLBSA-N	-1	0	291.263	0.387	20	10		CCCDRM
CC(=O)C(=O)COC(=O)c1cncc(C(=O)[O-])c1	ZINC001589020464	985007929	/nfs/dbraw/zinc/00/79/29/985007929.db2.gz	CODPTSNAPQKQMJ-UHFFFAOYSA-N	-1	0	251.194	0.095	20	10		CCCDRM
CCOC[C@H](C(=O)[O-])N(C)C(=O)c1cccc(O)c1O	ZINC001596878020	985738967	/nfs/dbraw/zinc/73/89/67/985738967.db2.gz	CRVJLRHWBMSPEO-SECBINFHSA-N	-1	0	283.280	0.660	20	10		CCCDRM
CC(=O)c1cc(O)ccc1NS(=O)(=O)CCC(=O)[O-]	ZINC001589270169	985957626	/nfs/dbraw/zinc/95/76/26/985957626.db2.gz	BRUSPCAEHTZGMS-UHFFFAOYSA-N	-1	0	287.293	0.811	20	10		CCCDRM
O=C(CO)N1CCN(Cc2cc(F)ccc2O)CC1	ZINC000793596057	581303998	/nfs/dbraw/zinc/30/39/98/581303998.db2.gz	XQKZFTVCJIRYQP-UHFFFAOYSA-N	-1	0	268.288	0.168	20	10		CCCDRM
NC(=O)CN(CC(=O)[O-])Cc1cc(Cl)ccc1O	ZINC000739162981	581514640	/nfs/dbraw/zinc/51/46/40/581514640.db2.gz	HSJUYIWMKXZXHL-UHFFFAOYSA-N	-1	0	272.688	0.418	20	10		CCCDRM
Cc1ccc(C(=O)N2CC[C@@H](C(=O)[O-])C2)c(O)c1O	ZINC000821064190	597668583	/nfs/dbraw/zinc/66/85/83/597668583.db2.gz	ZOXVEXDWMCZPGZ-MRVPVSSYSA-N	-1	0	265.265	0.953	20	10		CCCDRM
O=C([O-])N1CC(NC(=O)NCc2ccccc2O)C1	ZINC000831720522	604581843	/nfs/dbraw/zinc/58/18/43/604581843.db2.gz	YXRBKSNISBAJJA-UHFFFAOYSA-N	-1	0	265.269	0.554	20	10		CCCDRM
O=C([O-])N1CC[C@@](F)(C(=O)NCc2ccc(O)c(O)c2)C1	ZINC000834086076	605548927	/nfs/dbraw/zinc/54/89/27/605548927.db2.gz	UDDNGCTZLDMAFE-ZDUSSCGKSA-N	-1	0	298.270	0.806	20	10		CCCDRM
COc1ccc(O)c([C@H](C)NC(=O)c2nc(=O)[nH][n-]2)c1	ZINC000103529581	617274351	/nfs/dbraw/zinc/27/43/51/617274351.db2.gz	IFPYQWXECYZLRG-LURJTMIESA-N	-1	0	278.268	0.303	20	10		CCCDRM
COCc1cc(=O)n(C2=NS(=O)(=O)c3ccccc32)[n-]1	ZINC000917348392	616805993	/nfs/dbraw/zinc/80/59/93/616805993.db2.gz	VCXOZIFRWNSYRS-UHFFFAOYSA-N	-1	0	293.304	0.370	20	10		CCCDRM
C[C@@H]1[C@H](C)NC(=O)[C@H](C)N1C(=O)c1cccc(O)c1O	ZINC000911800073	636392768	/nfs/dbraw/zinc/39/27/68/636392768.db2.gz	NCYLHJOWXHCUSI-YIZRAAEISA-N	-1	0	278.308	0.835	20	10		CCCDRM
O=C(NCCN1CCCC1=O)c1cccc(O)c1O	ZINC000405879074	803896727	/nfs/dbraw/zinc/89/67/27/803896727.db2.gz	WUBDNBNJPADIKO-UHFFFAOYSA-N	-1	0	264.281	0.450	20	10		CCCDRM
NC(=O)CNS(=O)(=O)c1cc(Cl)cc(Cl)c1[O-]	ZINC001251387919	807681484	/nfs/dbraw/zinc/68/14/84/807681484.db2.gz	QYVNRVTWUZMVRO-UHFFFAOYSA-N	-1	0	299.135	0.463	20	10		CCCDRM
O=C(NCCc1ccc(O)c(O)c1)c1c[n-]ncc1=O	ZINC001150487215	842233648	/nfs/dbraw/zinc/23/36/48/842233648.db2.gz	ALVFJAXEZNAGLK-UHFFFAOYSA-N	-1	0	275.264	0.566	20	10		CCCDRM
CN1C[C@H](CNC(=O)c2cc(O)c([O-])c(Cl)c2)CC1=O	ZINC001193625492	846128293	/nfs/dbraw/zinc/12/82/93/846128293.db2.gz	IXQNKOWJQQZLRA-ZETCQYMHSA-N	-1	0	298.726	0.959	20	10		CCCDRM
O=C(NC1CN(C2COC2)C1)c1cc(O)c([O-])c(Cl)c1	ZINC001193634348	846131686	/nfs/dbraw/zinc/13/16/86/846131686.db2.gz	UYIAMKGCNWEQJR-UHFFFAOYSA-N	-1	0	298.726	0.564	20	10		CCCDRM
CCOC(=O)CS(=O)(=O)[N-]c1c(F)cc(O)cc1F	ZINC001195977139	846657338	/nfs/dbraw/zinc/65/73/38/846657338.db2.gz	URQRQIBSIHONKE-UHFFFAOYSA-N	-1	0	295.263	0.975	20	10		CCCDRM
NC(=O)c1c([N-]S(N)(=O)=O)sc2c1CCCC2	ZINC001260074839	851974524	/nfs/dbraw/zinc/97/45/24/851974524.db2.gz	OWHNNOGOUWUQKU-UHFFFAOYSA-N	-1	0	275.355	0.341	20	10		CCCDRM
C[C@@H](CN(C)C(=O)Cc1ccc(O)c(O)c1)c1nnn[n-]1	ZINC001296065660	906857754	/nfs/dbraw/zinc/85/77/54/906857754.db2.gz	YIJFNIDOIJAMIU-QMMMGPOBSA-N	-1	0	291.311	0.416	20	10		CCCDRM
C[C@](O)(C[NH2+]Cc1cc(F)c(F)cc1[O-])C(=O)[O-]	ZINC001589147191	956304216	/nfs/dbraw/zinc/30/42/16/956304216.db2.gz	QFKBTTHAZPWCNQ-NSHDSACASA-N	-1	0	261.224	0.596	20	10		CCCDRM
C[C@H](NC(=O)[C@H](C)NC(=O)C1=CC(=O)CS1)C(=O)[O-]	ZINC001599898807	984787942	/nfs/dbraw/zinc/78/79/42/984787942.db2.gz	ALTPFMBNDFNXBP-WDSKDSINSA-N	-1	0	286.309	0.161	20	10		CCCDRM
COC[C@H](C)S(=O)(=O)Nc1ccc(O)cc1C(=O)[O-]	ZINC000274921742	334785267	/nfs/dbraw/zinc/78/52/67/334785267.db2.gz	NCAKNCPGZMUZHN-ZETCQYMHSA-N	-1	0	289.309	0.867	20	10		CCCDRM
O=C(CO)N1CCN(Cc2ccccc2O)CC1	ZINC000793593445	581303955	/nfs/dbraw/zinc/30/39/55/581303955.db2.gz	MWWPJLCGTJZRFV-UHFFFAOYSA-N	-1	0	250.298	0.029	20	10		CCCDRM
O=C([O-])[C@@H]1CN(Cc2cc3c(cc2O)OCO3)CCO1	ZINC000738550246	582061882	/nfs/dbraw/zinc/06/18/82/582061882.db2.gz	ZNRQQHMIXUBTGG-LBPRGKRZSA-N	-1	0	281.264	0.406	20	10		CCCDRM
Cc1ccc(C(=O)N2CC[C@H](C(=O)[O-])C2)c(O)c1O	ZINC000821064192	597668651	/nfs/dbraw/zinc/66/86/51/597668651.db2.gz	ZOXVEXDWMCZPGZ-QMMMGPOBSA-N	-1	0	265.265	0.953	20	10		CCCDRM
O=C([O-])NCCC(=O)NCCc1ccc(O)c(O)c1	ZINC000832599773	605520412	/nfs/dbraw/zinc/52/04/12/605520412.db2.gz	ZDCJFRVSJVVUPN-UHFFFAOYSA-N	-1	0	268.269	0.414	20	10		CCCDRM
O=C(c1cccc(O)c1O)N1CC[C@H](O)[C@H](F)C1	ZINC000890692094	624563518	/nfs/dbraw/zinc/56/35/18/624563518.db2.gz	SQOKUMOYQGMTHP-BDAKNGLRSA-N	-1	0	255.245	0.643	20	10		CCCDRM
Cc1n[nH]c(C(=O)NCc2ccc(O)cc2O)c1[O-]	ZINC001142534033	815075645	/nfs/dbraw/zinc/07/56/45/815075645.db2.gz	WZDFLDUVHQXATM-UHFFFAOYSA-N	-1	0	263.253	0.765	20	10		CCCDRM
Cn1c(=O)cnc2ccc(-c3cnn(CC(=O)[O-])c3)cc21	ZINC001242183756	806994713	/nfs/dbraw/zinc/99/47/13/806994713.db2.gz	YHVQGFHRDPHVFB-UHFFFAOYSA-N	-1	0	284.275	0.882	20	10		CCCDRM
Nc1ccc(CCNC(=O)COCC(=O)[O-])cc1	ZINC000169817399	816063442	/nfs/dbraw/zinc/06/34/42/816063442.db2.gz	RUHDGTDADQQVOA-UHFFFAOYSA-N	-1	0	252.270	0.029	20	10		CCCDRM
O=C(c1cccc(O)c1O)N1CC(n2cncn2)C1	ZINC000707357830	819735349	/nfs/dbraw/zinc/73/53/49/819735349.db2.gz	AWGIDVCFXZOONZ-UHFFFAOYSA-N	-1	0	260.253	0.386	20	10		CCCDRM
Nc1c(=O)c(=O)c1NC(=O)c1ccc(O)c([O-])c1Cl	ZINC001193209319	846021345	/nfs/dbraw/zinc/02/13/45/846021345.db2.gz	IMIUBZCTIOFAQC-UHFFFAOYSA-N	-1	0	282.639	0.182	20	10		CCCDRM
CNC(=O)CN(CC(=O)NC)Cc1cccc(Cl)c1[O-]	ZINC000720536045	849487298	/nfs/dbraw/zinc/48/72/98/849487298.db2.gz	NMSHCJKPNGUUTO-UHFFFAOYSA-N	-1	0	299.758	0.340	20	10		CCCDRM
NC(=O)[C@H]1CC12CN(C(=O)c1cc(O)c([O-])c(Cl)c1)C2	ZINC001276215535	901974771	/nfs/dbraw/zinc/97/47/71/901974771.db2.gz	HAHFOXRVCXLUEB-SSDOTTSWSA-N	-1	0	296.710	0.699	20	10		CCCDRM
C[C@H](NC(=O)NCc1c(O)cccc1F)c1nnnn1C	ZINC001313378262	908661992	/nfs/dbraw/zinc/66/19/92/908661992.db2.gz	VMZPTIRDPCXRBG-ZETCQYMHSA-N	-1	0	294.290	0.615	20	10		CCCDRM
CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@](O)(C(=O)[O-])C2)c1O	ZINC001331965333	917763176	/nfs/dbraw/zinc/76/31/76/917763176.db2.gz	GOGPUWMNYYVMBL-CQSZACIVSA-N	-1	0	297.282	0.755	20	10		CCCDRM
O=C(c1cccc(O)c1O)N1CC[C@]2(CCOC2=O)C1	ZINC001347723716	924519589	/nfs/dbraw/zinc/51/95/89/924519589.db2.gz	HMQNMZIGHGMVNN-AWEZNQCLSA-N	-1	0	277.276	0.877	20	10		CCCDRM
COc1ccc(O)c(CNC(=O)CCC(=O)[O-])c1	ZINC001611051150	970869806	/nfs/dbraw/zinc/86/98/06/970869806.db2.gz	FNPXMCTYLDNIOA-UHFFFAOYSA-N	-1	0	253.254	0.882	20	10		CCCDRM
O=C([O-])C[C@H]1C(=O)NCCN1Cc1ccccc1O	ZINC000086815489	957995362	/nfs/dbraw/zinc/99/53/62/957995362.db2.gz	BZTCBJZNNVAXJO-JTQLQIEISA-N	-1	0	264.281	0.167	20	10		CCCDRM
CC(=O)C(=O)COC(=O)C=Cc1ccc(C(=O)[O-])o1	ZINC001588485808	958606303	/nfs/dbraw/zinc/60/63/03/958606303.db2.gz	KCHOSFWEIFBDRE-HWKANZROSA-N	-1	0	266.205	0.692	20	10		CCCDRM
C[C@@H](NC(=O)NCCOCC(=O)[O-])c1ccccc1O	ZINC001594201957	959255459	/nfs/dbraw/zinc/25/54/59/959255459.db2.gz	NUIFVAGCUMRQDN-SECBINFHSA-N	-1	0	282.296	0.854	20	10		CCCDRM
CCN(C)S(=O)(=O)Nc1cc(F)c(O)cc1C(=O)[O-]	ZINC001596194132	983576494	/nfs/dbraw/zinc/57/64/94/983576494.db2.gz	BYLQZOOCINXPCU-UHFFFAOYSA-N	-1	0	292.288	0.838	20	10		CCCDRM
COc1cc(O)c(CN2C[C@H](O)C[C@@H]2C(=O)[O-])cc1OC	ZINC001599446334	998014720	/nfs/dbraw/zinc/01/47/20/998014720.db2.gz	SNYULTHHVCPQRG-NXEZZACHSA-N	-1	0	297.307	0.429	20	10		CCCDRM
CO[C@]1(C(=O)[O-])CCN(C(=O)Cc2ccc(O)c(O)c2)C1	ZINC001599071943	999339104	/nfs/dbraw/zinc/33/91/04/999339104.db2.gz	ZGLNKKOSKPIGOE-CQSZACIVSA-N	-1	0	295.291	0.342	20	10		CCCDRM
CN1C[C@@H](NC(=O)c2c(F)ccc(O)c2O)CC1=O	ZINC000295315821	389001925	/nfs/dbraw/zinc/00/19/25/389001925.db2.gz	SGHWOHMKILEXDQ-LURJTMIESA-N	-1	0	268.244	0.197	20	10		CCCDRM
CC1(C)C(=O)NCCN1C(=O)c1cccc(O)c1O	ZINC000126411600	260351284	/nfs/dbraw/zinc/35/12/84/260351284.db2.gz	HLWMILGIVCXSEW-UHFFFAOYSA-N	-1	0	264.281	0.448	20	10		CCCDRM
CN(C)c1ccc(CNC(=O)CN(C)CC(=O)[O-])cc1	ZINC000130142293	522188254	/nfs/dbraw/zinc/18/82/54/522188254.db2.gz	ZHHMXGHBFATZBD-UHFFFAOYSA-N	-1	0	279.340	0.385	20	10		CCCDRM
Cc1ccc(C(=O)NC[C@]2(O)CCO[C@H]2C)c(O)c1O	ZINC000279642710	526182686	/nfs/dbraw/zinc/18/26/86/526182686.db2.gz	ZFLQILIBHSILOW-LKFCYVNXSA-N	-1	0	281.308	0.676	20	10		CCCDRM
O=C([O-])c1cc(NS(=O)(=O)C2CC2)ccc1O	ZINC000080935474	526352853	/nfs/dbraw/zinc/35/28/53/526352853.db2.gz	QDPYWBMBMIYDOE-UHFFFAOYSA-N	-1	0	257.267	0.995	20	10		CCCDRM
O=[N+]([O-])c1cc(Cl)cc(CN2C[C@@H](O)[C@H](O)C2)c1[O-]	ZINC000278118328	527332690	/nfs/dbraw/zinc/33/26/90/527332690.db2.gz	AUJKGYBRGJOZNN-NXEZZACHSA-N	-1	0	288.687	0.491	20	10		CCCDRM
COC(=O)[C@H]1CN(C(=O)C2=CC(=O)CS2)CCO1	ZINC000732286734	581816961	/nfs/dbraw/zinc/81/69/61/581816961.db2.gz	WFJFYWLNVBUFKD-MRVPVSSYSA-N	-1	0	271.294	0.468	20	10		CCCDRM
O=C([O-])[C@H]1CN(C(=O)C2=CC(=O)CS2)CCO1	ZINC000738548157	582060916	/nfs/dbraw/zinc/06/09/16/582060916.db2.gz	OKCLWXTWKMASBN-SSDOTTSWSA-N	-1	0	257.267	0.379	20	10		CCCDRM
C[C@H](NC(=O)C(=O)[O-])c1ccc(N2CCOCC2)cc1	ZINC000765033158	582083698	/nfs/dbraw/zinc/08/36/98/582083698.db2.gz	OHWUGVGOJGNWMP-JTQLQIEISA-N	-1	0	278.308	0.785	20	10		CCCDRM
C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)[O-]	ZINC000028713138	598220619	/nfs/dbraw/zinc/22/06/19/598220619.db2.gz	HTRLGQVZCDCTDC-MZTFZBDOSA-N	-1	0	251.238	0.700	20	10		CCCDRM
Cc1ccc(C(=O)N2CCN(C(=O)[O-])CC2)c(O)c1O	ZINC000830192558	603581486	/nfs/dbraw/zinc/58/14/86/603581486.db2.gz	NMNNXFKXHVLAMO-UHFFFAOYSA-N	-1	0	280.280	0.842	20	10		CCCDRM
COc1ccc(O)c(CN2CCO[C@H](C(=O)[O-])C2)c1	ZINC000086805978	605239118	/nfs/dbraw/zinc/23/91/18/605239118.db2.gz	MWDABVJHWGEVIY-LBPRGKRZSA-N	-1	0	267.281	0.686	20	10		CCCDRM
CCOCCONC(=O)c1c(F)ccc(O)c1[O-]	ZINC000828822961	615290641	/nfs/dbraw/zinc/29/06/41/615290641.db2.gz	UXDBCCPLSYEXNP-UHFFFAOYSA-N	-1	0	259.233	0.935	20	10		CCCDRM
CCOC[C@H](O)CN(C)c1ccc(OCC(=O)[O-])cc1	ZINC000846279399	615316666	/nfs/dbraw/zinc/31/66/66/615316666.db2.gz	CCGNVCWMDVEFFU-GFCCVEGCSA-N	-1	0	283.324	0.984	20	10		CCCDRM
CN(C)c1ccc(CNC(=O)CCc2nnn[n-]2)cc1F	ZINC000865051575	616014266	/nfs/dbraw/zinc/01/42/66/616014266.db2.gz	OLTQZBPCRVVDKS-UHFFFAOYSA-N	-1	0	292.318	0.654	20	10		CCCDRM
COC(=O)[C@](C)(CO)NCc1ccc(F)c(F)c1[O-]	ZINC000894971842	616748364	/nfs/dbraw/zinc/74/83/64/616748364.db2.gz	IVMPHGOBCBTSGI-LBPRGKRZSA-N	-1	0	275.251	0.684	20	10		CCCDRM
Nc1ccc(CC(=O)[N-]S(=O)(=O)[C@H]2CCCOC2)cc1	ZINC000901032264	634156458	/nfs/dbraw/zinc/15/64/58/634156458.db2.gz	OCFTVCITZXCUFU-LBPRGKRZSA-N	-1	0	298.364	0.436	20	10		CCCDRM
Cn1[n-]nnc1=NCc1c(O)ccc2c1CCCC2	ZINC000811808398	640987999	/nfs/dbraw/zinc/98/79/99/640987999.db2.gz	HRSMYOPRDAPUPX-UHFFFAOYSA-N	-1	0	259.313	0.829	20	10		CCCDRM
O=C1NCC2(CN(Cc3cc(F)ccc3O)C2)O1	ZINC000817416989	641258044	/nfs/dbraw/zinc/25/80/44/641258044.db2.gz	QDXBGELODYADIQ-UHFFFAOYSA-N	-1	0	252.245	0.826	20	10		CCCDRM
NC(=O)C[C@@H]1CN(Cc2ccc(F)c(F)c2[O-])CCO1	ZINC000877658445	646833072	/nfs/dbraw/zinc/83/30/72/646833072.db2.gz	RNMIMDWTTNIJLD-SECBINFHSA-N	-1	0	286.278	0.747	20	10		CCCDRM
CN(C)c1ccc(CNC(=O)c2n[nH]c(=O)[n-]2)cc1	ZINC000048723421	649325130	/nfs/dbraw/zinc/32/51/30/649325130.db2.gz	OEEOZPOLJDWWPB-UHFFFAOYSA-N	-1	0	261.285	0.094	20	10		CCCDRM
C[C@@H]1CN(Cc2c([O-])cc(F)cc2F)CC(=O)N1	ZINC001140583183	799924090	/nfs/dbraw/zinc/92/40/90/799924090.db2.gz	YHFAMZFMMRFAFK-SSDOTTSWSA-N	-1	0	256.252	0.991	20	10		CCCDRM
Cn1ccc(S(=O)(=O)[N-]c2ccc(O)cc2O)n1	ZINC001259937113	808811514	/nfs/dbraw/zinc/81/15/14/808811514.db2.gz	HSQCDESZXMWYRZ-UHFFFAOYSA-N	-1	0	269.282	0.632	20	10		CCCDRM
O=S(=O)(NCc1ccccc1O)c1ncc[n-]1	ZINC000310297808	811624511	/nfs/dbraw/zinc/62/45/11/811624511.db2.gz	SXMYTNPFTDKXCX-UHFFFAOYSA-N	-1	0	253.283	0.594	20	10		CCCDRM
NS(=O)(=O)[C@H]1CCN(Cc2cc(F)cc(F)c2[O-])C1	ZINC000894531920	813868707	/nfs/dbraw/zinc/86/87/07/813868707.db2.gz	BIMFNHYJQCBPLH-VIFPVBQESA-N	-1	0	292.307	0.533	20	10		CCCDRM
C[C@@]1(O)C[C@H](NC(=O)c2cc(=O)n(-c3ccccc3)[n-]2)C1	ZINC001147889596	840703465	/nfs/dbraw/zinc/70/34/65/840703465.db2.gz	MPVQCKSDDPOIFI-AVCCJPFPSA-N	-1	0	287.319	0.809	20	10		CCCDRM
O=C(Nc1nnco1)c1cc(=O)n(-c2ccccc2)[n-]1	ZINC001147878900	840714652	/nfs/dbraw/zinc/71/46/52/840714652.db2.gz	WVXMGZJKBIWNKE-UHFFFAOYSA-N	-1	0	271.236	0.801	20	10		CCCDRM
CN(C)c1ccc(/C=C/C(=O)NCS(=O)(=O)[O-])cc1	ZINC001180129885	843104379	/nfs/dbraw/zinc/10/43/79/843104379.db2.gz	LPSPGOZFCZHZMQ-VMPITWQZSA-N	-1	0	284.337	0.727	20	10		CCCDRM
O=C(c1cc(O)c([O-])c(Cl)c1)N1CCn2cnnc2C1	ZINC001193589837	846113490	/nfs/dbraw/zinc/11/34/90/846113490.db2.gz	RKVBOBIQLWIUBE-UHFFFAOYSA-N	-1	0	294.698	0.999	20	10		CCCDRM
Cc1ccc(C(=O)NCc2nc(=O)o[n-]2)c(O)c1O	ZINC001325090626	913205741	/nfs/dbraw/zinc/20/57/41/913205741.db2.gz	CKMRGAPKFBOPNR-UHFFFAOYSA-N	-1	0	265.225	0.013	20	10		CCCDRM
COC[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])C(=O)[O-]	ZINC001334840878	919795098	/nfs/dbraw/zinc/79/50/98/919795098.db2.gz	GRKLPHWQOXWVNG-VIFPVBQESA-N	-1	0	261.224	0.860	20	10		CCCDRM
CO[C@H](C(=O)[O-])C(=O)Nc1c2nonc2ccc1Cl	ZINC001593911753	955972656	/nfs/dbraw/zinc/97/26/56/955972656.db2.gz	RHOFSPPSCQQNFH-QMMMGPOBSA-N	-1	0	285.643	0.914	20	10		CCCDRM
C[C@](O)(C[NH2+]Cc1cccc(Cl)c1[O-])C(=O)[O-]	ZINC001589146962	956300788	/nfs/dbraw/zinc/30/07/88/956300788.db2.gz	LQYFGYGWDNORHU-NSHDSACASA-N	-1	0	259.689	0.971	20	10		CCCDRM
C[C@H]1CN(C(=O)c2cccc(O)c2O)C[C@@H](C(=O)[O-])O1	ZINC001599925306	985191682	/nfs/dbraw/zinc/19/16/82/985191682.db2.gz	MMKRARDWFDWTOP-XVKPBYJWSA-N	-1	0	281.264	0.412	20	10		CCCDRM
COc1ccc(CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)c(O)c1	ZINC001599569766	998346721	/nfs/dbraw/zinc/34/67/21/998346721.db2.gz	UJVQXRZGVLJKGZ-NEPJUHHUSA-N	-1	0	295.291	0.649	20	10		CCCDRM
CN1C[C@H](NC(=O)c2c(F)ccc(O)c2O)CC1=O	ZINC000295315825	389002085	/nfs/dbraw/zinc/00/20/85/389002085.db2.gz	SGHWOHMKILEXDQ-ZCFIWIBFSA-N	-1	0	268.244	0.197	20	10		CCCDRM
CN(Cc1ccccc1O)C(=O)c1n[nH]c(=O)[n-]c1=O	ZINC000765493063	581520556	/nfs/dbraw/zinc/52/05/56/581520556.db2.gz	QXOGKLNOTVFIIO-UHFFFAOYSA-N	-1	0	276.252	0.261	20	10		CCCDRM
Cn1nnc(CNCc2c([O-])ccc(Cl)c2F)n1	ZINC000785616367	581590186	/nfs/dbraw/zinc/59/01/86/581590186.db2.gz	AAJBCYAZBXNMNP-UHFFFAOYSA-N	-1	0	271.683	0.998	20	10		CCCDRM
COc1ccc(O)c(CNC(=O)[C@@H](C)NC(=O)[O-])c1	ZINC000739930591	581635972	/nfs/dbraw/zinc/63/59/72/581635972.db2.gz	MFZIHIVKUCPGOX-SSDOTTSWSA-N	-1	0	268.269	0.673	20	10		CCCDRM
COc1ccc(O)c([C@@H](C)NC(=O)c2nc(=O)[nH][n-]2)c1	ZINC000103529585	617274085	/nfs/dbraw/zinc/27/40/85/617274085.db2.gz	IFPYQWXECYZLRG-ZCFIWIBFSA-N	-1	0	278.268	0.303	20	10		CCCDRM
CC(=O)c1cc(=O)n(-c2cccc(S(C)(=O)=O)c2)[n-]1	ZINC000871955090	613664137	/nfs/dbraw/zinc/66/41/37/613664137.db2.gz	VUJFIITYLVPNSD-UHFFFAOYSA-N	-1	0	280.305	0.772	20	10		CCCDRM
CCO[N-]C(=O)CNC(=O)NCc1cc(C)ccc1O	ZINC000858589430	615364521	/nfs/dbraw/zinc/36/45/21/615364521.db2.gz	LGBCUCAWYBCSMV-UHFFFAOYSA-N	-1	0	281.312	0.568	20	10		CCCDRM
CCO[N-]C(=O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-]	ZINC000846088135	615374634	/nfs/dbraw/zinc/37/46/34/615374634.db2.gz	HRGQDUNSCWFPIO-UHFFFAOYSA-N	-1	0	269.257	0.458	20	10		CCCDRM
CN(CC(=O)NCC(=O)[O-])c1ccc2c(c1)OCO2	ZINC000820562796	616046922	/nfs/dbraw/zinc/04/69/22/616046922.db2.gz	VKVDSYCJBPRHPO-UHFFFAOYSA-N	-1	0	266.253	0.052	20	10		CCCDRM
COC[C@](C)(NC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)[O-]	ZINC000833720974	616827219	/nfs/dbraw/zinc/82/72/19/616827219.db2.gz	IVNMWKZTHNIPNM-YVZNUBBCSA-N	-1	0	295.291	0.717	20	10		CCCDRM
COCCN(Cc1cc(F)cc(F)c1[O-])[C@H](C)C(N)=O	ZINC000894006894	617027446	/nfs/dbraw/zinc/02/74/46/617027446.db2.gz	YZAWTKDZZQHNRF-MRVPVSSYSA-N	-1	0	288.294	0.993	20	10		CCCDRM
O=C([O-])c1ccc(O)c(CN2CCn3cnnc3C2)c1	ZINC001231559580	805816778	/nfs/dbraw/zinc/81/67/78/805816778.db2.gz	GLWMSOFMNKLTDE-UHFFFAOYSA-N	-1	0	274.280	0.698	20	10		CCCDRM
O=C([O-])c1ccc(O)c(CN2CCOC(=O)C2)c1	ZINC001231566767	805817028	/nfs/dbraw/zinc/81/70/28/805817028.db2.gz	QTIYCPUEYXQDPQ-UHFFFAOYSA-N	-1	0	251.238	0.449	20	10		CCCDRM
O=C1COC[C@@H]2CN(Cc3c([O-])cc(F)cc3F)CCN12	ZINC001140584571	799922697	/nfs/dbraw/zinc/92/26/97/799922697.db2.gz	WZJAGKOWCXVMEJ-JTQLQIEISA-N	-1	0	298.289	0.713	20	10		CCCDRM
NC(=O)C1(O)CN(Cc2cccc(Cl)c2[O-])C1	ZINC001207403351	803393573	/nfs/dbraw/zinc/39/35/73/803393573.db2.gz	LGFASBNQEPZWTC-UHFFFAOYSA-N	-1	0	256.689	0.078	20	10		CCCDRM
CN1CC[C@]2(CCCN2C(=O)c2cc([O-])[nH]c(=O)c2)C1=O	ZINC001269381821	813350133	/nfs/dbraw/zinc/35/01/33/813350133.db2.gz	VHYSZUGQFDBRCT-CQSZACIVSA-N	-1	0	291.307	0.330	20	10		CCCDRM
CNOCCNC(=O)c1cc(=O)n(-c2ccccc2)[n-]1	ZINC001147889712	840703725	/nfs/dbraw/zinc/70/37/25/840703725.db2.gz	PFDHBDHTJMFUPF-UHFFFAOYSA-N	-1	0	276.296	0.047	20	10		CCCDRM
CCN(C(=O)c1cccc(O)c1O)C1CN(C)C1	ZINC001148218612	840764841	/nfs/dbraw/zinc/76/48/41/840764841.db2.gz	HSFJVPBTOBLDOY-UHFFFAOYSA-N	-1	0	250.298	0.874	20	10		CCCDRM
CN(C)c1ccc(C=CC(=O)NCc2n[nH]c(=O)[n-]2)cc1	ZINC001180130172	843104602	/nfs/dbraw/zinc/10/46/02/843104602.db2.gz	ZJMDKRYKKNDHLF-VMPITWQZSA-N	-1	0	287.323	0.906	20	10		CCCDRM
C[N@H+](Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1)C1CC1	ZINC001118315191	856255449	/nfs/dbraw/zinc/25/54/49/856255449.db2.gz	MMEFPQLAFWYVFV-UHFFFAOYSA-N	-1	0	262.269	0.727	20	10		CCCDRM
O=C(C=Cc1ccc(O)c(O)c1)NCc1nc(=O)o[n-]1	ZINC001323570929	912420235	/nfs/dbraw/zinc/42/02/35/912420235.db2.gz	VTVQLFXGDMISRN-RQOWECAXSA-N	-1	0	277.236	0.104	20	10		CCCDRM
NC(=O)[C@@H]1CC12CN(C(=O)c1cc(O)c([O-])c(Cl)c1)C2	ZINC001276215541	901974411	/nfs/dbraw/zinc/97/44/11/901974411.db2.gz	HAHFOXRVCXLUEB-ZETCQYMHSA-N	-1	0	296.710	0.699	20	10		CCCDRM
O=C([O-])[C@H]1CCN(C(=O)c2cccc(O)c2O)C1	ZINC000126020450	949261643	/nfs/dbraw/zinc/26/16/43/949261643.db2.gz	PRRAMUNXABLEDJ-ZETCQYMHSA-N	-1	0	251.238	0.645	20	10		CCCDRM
Cc1ccc(O)c(CNC(=O)[C@]2(C(=O)[O-])CCCO2)c1	ZINC001594373214	958559316	/nfs/dbraw/zinc/55/93/16/958559316.db2.gz	JHLCHNAXVVCVLK-AWEZNQCLSA-N	-1	0	279.292	0.951	20	10		CCCDRM
O=C([O-])[C@@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C1	ZINC001574655618	962453040	/nfs/dbraw/zinc/45/30/40/962453040.db2.gz	CEXHZBBFTJGOAJ-SECBINFHSA-N	-1	0	265.265	0.573	20	10		CCCDRM
C[C@@](CO)(NC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)[O-]	ZINC001592741230	979275171	/nfs/dbraw/zinc/27/51/71/979275171.db2.gz	FQNAFGNPVRSOTG-DXTPNHAXSA-N	-1	0	281.264	0.063	20	10		CCCDRM
C[C@H](CS(=O)(=O)NCc1ccc(O)cc1O)C(=O)[O-]	ZINC001592817269	979520741	/nfs/dbraw/zinc/52/07/41/979520741.db2.gz	ZJIGYHCTPSXWHE-SSDOTTSWSA-N	-1	0	289.309	0.238	20	10		CCCDRM
CC[C@@H](C(=O)[O-])C(=O)NCc1cccc(O)c1O	ZINC001594755150	981663935	/nfs/dbraw/zinc/66/39/35/981663935.db2.gz	CQGOJCVIQHUQGX-MRVPVSSYSA-N	-1	0	253.254	0.825	20	10		CCCDRM
CCOC[C@H](C(=O)[O-])N(C)C(=O)Cc1ccc(O)c(O)c1	ZINC001596872294	985700923	/nfs/dbraw/zinc/70/09/23/985700923.db2.gz	HJYXOTGINDBMOX-SNVBAGLBSA-N	-1	0	297.307	0.588	20	10		CCCDRM
Cc1ccc(C(=O)N[C@H](C)CC(=O)[O-])c(O)c1O	ZINC001594346310	999312075	/nfs/dbraw/zinc/31/20/75/999312075.db2.gz	NDYVYVLUDJYXDP-SSDOTTSWSA-N	-1	0	253.254	0.999	20	10		CCCDRM
O=C([O-])C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	ZINC000274132878	353115208	/nfs/dbraw/zinc/11/52/08/353115208.db2.gz	FKIWWUKHLUKQON-UHFFFAOYSA-N	-1	0	296.298	0.488	20	10		CCCDRM
O=C(c1c(F)ccc(O)c1O)N1CCC[C@H](OCCO)C1	ZINC000295268678	388998103	/nfs/dbraw/zinc/99/81/03/388998103.db2.gz	JITDKWOIIGVDBB-VIFPVBQESA-N	-1	0	299.298	0.850	20	10		CCCDRM
COc1ccc(O)c(CNC(=O)NCCNC(=O)[O-])c1	ZINC000739928714	581635896	/nfs/dbraw/zinc/63/58/96/581635896.db2.gz	AYAWIGRRPMLSJB-UHFFFAOYSA-N	-1	0	283.284	0.468	20	10		CCCDRM
O=C([O-])[C@@H]1CN(Cc2cccc(F)c2O)CCO1	ZINC000821512756	598211516	/nfs/dbraw/zinc/21/15/16/598211516.db2.gz	NVXOIXVIXSKCAD-JTQLQIEISA-N	-1	0	255.245	0.817	20	10		CCCDRM
COc1cccc(CN2CCNC(=O)[C@@H]2CC(=O)[O-])c1O	ZINC000086815445	604517414	/nfs/dbraw/zinc/51/74/14/604517414.db2.gz	ONHOESNFBWMXCW-JTQLQIEISA-N	-1	0	294.307	0.176	20	10		CCCDRM
COc1ccc(CNC(=O)C2(C(=O)[O-])CC2)c(O)c1	ZINC000836730229	617252870	/nfs/dbraw/zinc/25/28/70/617252870.db2.gz	ZFXZFUILQVJAFW-UHFFFAOYSA-N	-1	0	265.265	0.882	20	10		CCCDRM
COc1ccc(CNC(=O)[C@](C)(OC)C(=O)[O-])c(O)c1	ZINC000852942263	617256645	/nfs/dbraw/zinc/25/66/45/617256645.db2.gz	HINONYCMMWMSFC-ZDUSSCGKSA-N	-1	0	283.280	0.507	20	10		CCCDRM
COc1ccc(N2CC[C@H](N=c3nn[n-]n3C)C2)cc1	ZINC000853759632	617268237	/nfs/dbraw/zinc/26/82/37/617268237.db2.gz	YNNDXXFAGIAHJH-JTQLQIEISA-N	-1	0	274.328	0.331	20	10		CCCDRM
CC(C)(NC(=O)[O-])C(=O)NCc1ccc(O)c(O)c1	ZINC000833461793	614167023	/nfs/dbraw/zinc/16/70/23/614167023.db2.gz	UMPBFEKQIWHNBZ-UHFFFAOYSA-N	-1	0	268.269	0.760	20	10		CCCDRM
CN(Cc1ccccc1O)C(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-]	ZINC000828400340	616171087	/nfs/dbraw/zinc/17/10/87/616171087.db2.gz	XLOSRYSUFRWXHH-GHMZBOCLSA-N	-1	0	294.307	0.464	20	10		CCCDRM
COC[C@H](NCc1cc(F)cc(F)c1[O-])C(=O)OC	ZINC000894538427	616723429	/nfs/dbraw/zinc/72/34/29/616723429.db2.gz	KTAMSQKZPFHRNU-JTQLQIEISA-N	-1	0	275.251	0.948	20	10		CCCDRM
COC[C@H]1C(=O)N[C@@H](c2cc([N+](=O)[O-])ccc2[O-])N1C	ZINC000840827881	616762861	/nfs/dbraw/zinc/76/28/61/616762861.db2.gz	CKJBWWFGBCPFSS-GXSJLCMTSA-N	-1	0	281.268	0.376	20	10		CCCDRM
CON(C)C(=O)[C@@H](C)NC(=O)NCc1c(O)cccc1F	ZINC000923478387	617047365	/nfs/dbraw/zinc/04/73/65/617047365.db2.gz	AWKYEDLGLNWAON-MRVPVSSYSA-N	-1	0	299.302	0.739	20	10		CCCDRM
O=C1CC[N@H+](Cc2cc(F)cc(F)c2[O-])CCN1	ZINC000894003636	631498758	/nfs/dbraw/zinc/49/87/58/631498758.db2.gz	OQJMDRPEKGCKMQ-UHFFFAOYSA-N	-1	0	256.252	0.992	20	10		CCCDRM
C[C@@H](O)C(=O)N(CC(=O)[O-])Cc1ccccc1O	ZINC000911484063	636276239	/nfs/dbraw/zinc/27/62/39/636276239.db2.gz	MAMPQKTZMNMSLH-MRVPVSSYSA-N	-1	0	253.254	0.186	20	10		CCCDRM
Cn1ncc(CNCc2cc([N+](=O)[O-])ccc2[O-])n1	ZINC000808417206	640862873	/nfs/dbraw/zinc/86/28/73/640862873.db2.gz	DNLFPVLYTLSSIG-UHFFFAOYSA-N	-1	0	263.257	0.719	20	10		CCCDRM
O=C([O-])CCNC(=O)N1Cc2cccc(O)c2C1	ZINC000874403433	646452335	/nfs/dbraw/zinc/45/23/35/646452335.db2.gz	KHIJJULLGFMTJH-UHFFFAOYSA-N	-1	0	250.254	0.892	20	10		CCCDRM
CS(=O)(=O)C1CN(Cc2ccc(F)c(F)c2[O-])C1	ZINC000877576063	646825021	/nfs/dbraw/zinc/82/50/21/646825021.db2.gz	DPIHIMQNQIWDHB-UHFFFAOYSA-N	-1	0	277.292	0.899	20	10		CCCDRM
CCN1C(=O)CN(Cc2c([O-])cc(F)cc2F)CC1=O	ZINC001140583209	799923988	/nfs/dbraw/zinc/92/39/88/799923988.db2.gz	ZDDXGWKHTNIONJ-UHFFFAOYSA-N	-1	0	284.262	0.861	20	10		CCCDRM
O=C([O-])c1ccc(NCCc2cc(O)c(O)cc2O)nn1	ZINC001168010361	814084289	/nfs/dbraw/zinc/08/42/89/814084289.db2.gz	UVGSCTLKWINXBJ-UHFFFAOYSA-N	-1	0	291.263	0.946	20	10		CCCDRM
O=C(CNC(=O)c1cnc[nH]1)c1ccc(O)c(O)c1	ZINC001147261653	840541592	/nfs/dbraw/zinc/54/15/92/840541592.db2.gz	ZLJTWQCUHONLBZ-UHFFFAOYSA-N	-1	0	261.237	0.434	20	10		CCCDRM
O=C(c1cc(=O)n(-c2ccccc2)[n-]1)N1CC(=O)C1	ZINC001147884620	840713383	/nfs/dbraw/zinc/71/33/83/840713383.db2.gz	KOYYEVPCZMOKAI-UHFFFAOYSA-N	-1	0	257.249	0.191	20	10		CCCDRM
COc1cc(C(=O)NCC(=O)CCC(=O)[O-])cc(O)c1O	ZINC001193120433	845985515	/nfs/dbraw/zinc/98/55/15/845985515.db2.gz	XYXKCPLGBGQEBC-UHFFFAOYSA-N	-1	0	297.263	0.270	20	10		CCCDRM
Cn1nnc(CNCc2cccc(Cl)c2[O-])n1	ZINC000398184418	854467331	/nfs/dbraw/zinc/46/73/31/854467331.db2.gz	UPLXVOYIQSMECM-UHFFFAOYSA-N	-1	0	253.693	0.859	20	10		CCCDRM
O=C([O-])CCCC(=O)NCc1c(O)cccc1O	ZINC001595025130	951340135	/nfs/dbraw/zinc/34/01/35/951340135.db2.gz	GCQKCCDHGKAFQG-UHFFFAOYSA-N	-1	0	253.254	0.969	20	10		CCCDRM
O=C([O-])c1cc(C(=O)NCc2ccc(O)cc2O)[nH]n1	ZINC001594769899	953553113	/nfs/dbraw/zinc/55/31/13/953553113.db2.gz	IGJBQGBTRAWFNF-UHFFFAOYSA-N	-1	0	277.236	0.449	20	10		CCCDRM
CO[C@@H](C(=O)[O-])C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	ZINC001593923436	956102991	/nfs/dbraw/zinc/10/29/91/956102991.db2.gz	WGLJMDOPTDGMHP-RDDDGLTNSA-N	-1	0	283.280	0.245	20	10		CCCDRM
COC[C@@]1(C(=O)[O-])CN(Cc2cccc(F)c2O)CCO1	ZINC001593984600	956752764	/nfs/dbraw/zinc/75/27/64/956752764.db2.gz	ROROSSIBMXTLMH-CQSZACIVSA-N	-1	0	299.298	0.833	20	10		CCCDRM
O=C([O-])C[C@H]1C(=O)NCCN1Cc1cc(Cl)ccc1O	ZINC000086815122	957995750	/nfs/dbraw/zinc/99/57/50/957995750.db2.gz	FVGUTEZMCKMWMP-JTQLQIEISA-N	-1	0	298.726	0.821	20	10		CCCDRM
C[C@@H](C(=O)[O-])C(=O)NCCc1ccc(O)c(O)c1	ZINC001609700720	970465473	/nfs/dbraw/zinc/46/54/73/970465473.db2.gz	BDONHJBZCBPQDE-SSDOTTSWSA-N	-1	0	253.254	0.477	20	10		CCCDRM
CO[C@@](C)(C(=O)[O-])C(=O)NCc1cccc(O)c1O	ZINC001604463954	973328882	/nfs/dbraw/zinc/32/88/82/973328882.db2.gz	UQCOJVBMONGLPA-GFCCVEGCSA-N	-1	0	269.253	0.204	20	10		CCCDRM
O=C([O-])C(=O)COC(=O)C=Cc1ccc(O)c(O)c1	ZINC001605667673	974067759	/nfs/dbraw/zinc/06/77/59/974067759.db2.gz	HZLMMASFIOYGKO-DUXPYHPUSA-N	-1	0	266.205	0.308	20	10		CCCDRM
C[C@H](C(=O)[O-])N(C)C(=O)Cc1ccc(O)c(O)c1	ZINC001599886029	984637115	/nfs/dbraw/zinc/63/71/15/984637115.db2.gz	GFBKBOAFBVVVIU-SSDOTTSWSA-N	-1	0	253.254	0.572	20	10		CCCDRM
CC(=O)C(=O)COC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1	ZINC001589021676	985013109	/nfs/dbraw/zinc/01/31/09/985013109.db2.gz	SBAKKWIHWFBEFJ-RKDXNWHRSA-N	-1	0	256.254	0.579	20	10		CCCDRM
COc1cc(C)cc(CN2CC(O)(C(=O)[O-])C2)c1O	ZINC001599392378	997061576	/nfs/dbraw/zinc/06/15/76/997061576.db2.gz	NAHJHEGVDXDDDH-UHFFFAOYSA-N	-1	0	267.281	0.341	20	10		CCCDRM
O=[N+]([O-])c1cc(Cl)cc(CN2C[C@@H](O)[C@@H](O)C2)c1[O-]	ZINC000093483596	349544042	/nfs/dbraw/zinc/54/40/42/349544042.db2.gz	AUJKGYBRGJOZNN-AOOOYVTPSA-N	-1	0	288.687	0.491	20	10		CCCDRM
C[C@@H](NC(=O)c1c(F)ccc(O)c1O)C(=O)NCCF	ZINC000296362502	353944335	/nfs/dbraw/zinc/94/43/35/353944335.db2.gz	SELUZFZZSOQCNW-ZCFIWIBFSA-N	-1	0	288.250	0.441	20	10		CCCDRM
CNC(=O)[C@@H]1CN(Cc2cccc(Cl)c2[O-])CCO1	ZINC000182477669	389709142	/nfs/dbraw/zinc/70/91/42/389709142.db2.gz	XLQQHOHMGXWPRA-NSHDSACASA-N	-1	0	284.743	0.992	20	10		CCCDRM
CCC[N@H+](CC(=O)NCC(=O)[O-])Cc1ccccc1O	ZINC000781154105	581260167	/nfs/dbraw/zinc/26/01/67/581260167.db2.gz	GZWLLVFIZJBWQF-UHFFFAOYSA-N	-1	0	280.324	0.805	20	10		CCCDRM
COc1ccc(O)c(CN2CCNC(=O)[C@H]2CC(=O)[O-])c1	ZINC000086815823	605229268	/nfs/dbraw/zinc/22/92/68/605229268.db2.gz	OHOZSOQMHXSWHH-LLVKDONJSA-N	-1	0	294.307	0.176	20	10		CCCDRM
O=C([O-])N1CC[C@](F)(C(=O)NCc2ccc(O)c(O)c2)C1	ZINC000834086074	605548803	/nfs/dbraw/zinc/54/88/03/605548803.db2.gz	UDDNGCTZLDMAFE-CYBMUJFWSA-N	-1	0	298.270	0.806	20	10		CCCDRM
O=C([O-])NCCNC(=O)/C=C/c1ccc(O)c(O)c1	ZINC000834240865	605694891	/nfs/dbraw/zinc/69/48/91/605694891.db2.gz	NWZSVTBGXYXWLP-DUXPYHPUSA-N	-1	0	266.253	0.495	20	10		CCCDRM
COC(=O)C1(O)CN(Cc2cc(F)cc(F)c2[O-])C1	ZINC000895468871	616384926	/nfs/dbraw/zinc/38/49/26/616384926.db2.gz	WREWGSRSROZNNS-UHFFFAOYSA-N	-1	0	273.235	0.390	20	10		CCCDRM
[O-]c1c(F)cc(F)cc1CN1CCn2c(CO)nnc2C1	ZINC000894070022	631508460	/nfs/dbraw/zinc/50/84/60/631508460.db2.gz	CPUGPNAQCSNUCE-UHFFFAOYSA-N	-1	0	296.277	0.770	20	10		CCCDRM
O=C(NCCNC(=O)C1CC1)NCc1c(O)cccc1F	ZINC000913899000	637463202	/nfs/dbraw/zinc/46/32/02/637463202.db2.gz	YYFPOXCJALWAQH-UHFFFAOYSA-N	-1	0	295.314	0.857	20	10		CCCDRM
O=C([O-])c1ccc(O)c(CN2CCO[C@@H](CO)C2)c1	ZINC001231560454	805814755	/nfs/dbraw/zinc/81/47/55/805814755.db2.gz	IPJNADOIANDIHQ-LLVKDONJSA-N	-1	0	267.281	0.284	20	10		CCCDRM
Cc1nc(S(=O)(=O)[N-]c2ccc(O)cc2O)cn1C	ZINC001260541654	808861541	/nfs/dbraw/zinc/86/15/41/808861541.db2.gz	GNFBVFMLKNGZMV-UHFFFAOYSA-N	-1	0	283.309	0.941	20	10		CCCDRM
O=C(NC[C@@H]1CCOC1)c1cc(=O)n(-c2ccccc2)[n-]1	ZINC001147889338	840705128	/nfs/dbraw/zinc/70/51/28/840705128.db2.gz	GSOVYSSDJWPSSY-NSHDSACASA-N	-1	0	287.319	0.932	20	10		CCCDRM
O=C(N=c1ncnc2[nH][nH]cc1-2)c1cc(O)c([O-])c(O)c1	ZINC001148581736	840851164	/nfs/dbraw/zinc/85/11/64/840851164.db2.gz	UFYTXBQYBWSRGT-UHFFFAOYSA-N	-1	0	287.235	0.096	20	10		CCCDRM
Cn1nnnc1NC(=O)c1cc(O)c([O-])c(Cl)c1	ZINC001193589823	846114230	/nfs/dbraw/zinc/11/42/30/846114230.db2.gz	QWYJYBFKYVLQDG-UHFFFAOYSA-N	-1	0	269.648	0.527	20	10		CCCDRM
O=C(c1cccc(O)c1O)N1CC[C@@]2(CCOC2=O)C1	ZINC001347723719	924518865	/nfs/dbraw/zinc/51/88/65/924518865.db2.gz	HMQNMZIGHGMVNN-CQSZACIVSA-N	-1	0	277.276	0.877	20	10		CCCDRM
CC(C)(C(=O)[O-])C(=O)NCCc1ccc(O)c(O)c1	ZINC001602832787	971660821	/nfs/dbraw/zinc/66/08/21/971660821.db2.gz	ZGAQQNQMWPVOOX-UHFFFAOYSA-N	-1	0	267.281	0.867	20	10		CCCDRM
O=C([O-])[C@@H](C(=O)NCc1cccc(O)c1O)C1CC1	ZINC001594834487	954018363	/nfs/dbraw/zinc/01/83/63/954018363.db2.gz	XNVUHMOYNDYLQB-SNVBAGLBSA-N	-1	0	265.265	0.825	20	10		CCCDRM
CC(=O)C(=O)COC(=O)c1oc(C(=O)[O-])cc1C	ZINC001589020977	985009459	/nfs/dbraw/zinc/00/94/59/985009459.db2.gz	IHUYTJBYHCAJPL-UHFFFAOYSA-N	-1	0	254.194	0.601	20	10		CCCDRM
C[C@@H]1C[C@H](C(=O)NCc2ccc(O)c(O)c2)O[C@H]1C(=O)[O-]	ZINC001599874916	989406590	/nfs/dbraw/zinc/40/65/90/989406590.db2.gz	DWMQDPQEHUOYPR-NZXMKCKXSA-N	-1	0	295.291	0.592	20	10		CCCDRM
Cc1cc(N(C)C)ccc1CNC(=O)NCC(=O)[O-]	ZINC000780577596	581235122	/nfs/dbraw/zinc/23/51/22/581235122.db2.gz	QLOVBSOKLUJVHZ-UHFFFAOYSA-N	-1	0	265.313	0.945	20	10		CCCDRM
COc1ccc(CNC(=O)[C@H](C)C(=O)[O-])c(O)c1	ZINC000841768954	617256112	/nfs/dbraw/zinc/25/61/12/617256112.db2.gz	VMGJZLZNSPDIRQ-ZETCQYMHSA-N	-1	0	253.254	0.738	20	10		CCCDRM
CC(=O)c1cc(=O)n(-c2ccc(S(C)(=O)=O)cc2)[n-]1	ZINC000871943211	613664104	/nfs/dbraw/zinc/66/41/04/613664104.db2.gz	BZKFNTRGBDIUBH-UHFFFAOYSA-N	-1	0	280.305	0.772	20	10		CCCDRM
CN(CCS(N)(=O)=O)Cc1cc(Cl)cc(F)c1[O-]	ZINC000877827198	616121558	/nfs/dbraw/zinc/12/15/58/616121558.db2.gz	OODWPIZNHBAOPY-UHFFFAOYSA-N	-1	0	296.751	0.905	20	10		CCCDRM
COC(=O)[C@@](C)(CO)NCc1cc(F)cc(F)c1[O-]	ZINC000894971724	616533870	/nfs/dbraw/zinc/53/38/70/616533870.db2.gz	FXNGAMQCINDSGO-GFCCVEGCSA-N	-1	0	275.251	0.684	20	10		CCCDRM
CO[N-]C(=O)CNC(=O)N[C@@H](C)c1ccccc1O	ZINC000927220470	617113932	/nfs/dbraw/zinc/11/39/32/617113932.db2.gz	SHWSTBWTJGSSLG-QMMMGPOBSA-N	-1	0	267.285	0.430	20	10		CCCDRM
COCCCS(=O)(=O)Nc1ccc(O)cc1C(=O)[O-]	ZINC000071235080	638544269	/nfs/dbraw/zinc/54/42/69/638544269.db2.gz	WECZOCMGOHXNQI-UHFFFAOYSA-N	-1	0	289.309	0.869	20	10		CCCDRM
C[C@@H]1C(=O)NCCN1Cc1ccc(C(=O)[O-])cc1O	ZINC001231450965	805802350	/nfs/dbraw/zinc/80/23/50/805802350.db2.gz	IWKJWCXDRGNVKB-MRVPVSSYSA-N	-1	0	264.281	0.411	20	10		CCCDRM
COC(=O)N1CCN(Cc2cc(C(=O)[O-])ccc2O)CC1	ZINC001231559894	805815788	/nfs/dbraw/zinc/81/57/88/805815788.db2.gz	KJHKQSSWMYGBNY-UHFFFAOYSA-N	-1	0	294.307	0.974	20	10		CCCDRM
NC(=O)CN1CCN(Cc2c(F)ccc(F)c2[O-])CC1	ZINC001139686042	799829354	/nfs/dbraw/zinc/82/93/54/799829354.db2.gz	LFVAAYYRPBXLNI-UHFFFAOYSA-N	-1	0	285.294	0.273	20	10		CCCDRM
Nc1ccc(CC(=O)NC2C(=O)N=CN=C2[O-])cc1	ZINC001218702320	804088306	/nfs/dbraw/zinc/08/83/06/804088306.db2.gz	NYZJBEZEWPGWBF-UHFFFAOYSA-N	-1	0	260.253	0.651	20	10		CCCDRM
O=C(Cc1nnn[n-]1)N1CCc2cccc(O)c2C1	ZINC001176840998	842427913	/nfs/dbraw/zinc/42/79/13/842427913.db2.gz	PFXMJCGYAHOLRA-UHFFFAOYSA-N	-1	0	259.269	0.033	20	10		CCCDRM
O=C([O-])CCC(=O)CNC(=O)/C=C/c1ccc(O)c(O)c1	ZINC001179691409	843035811	/nfs/dbraw/zinc/03/58/11/843035811.db2.gz	NGFCLHLWDPKJMX-GORDUTHDSA-N	-1	0	293.275	0.661	20	10		CCCDRM
O=C(CCc1ccc(O)c(O)c1)NCc1n[nH]c(=O)[n-]1	ZINC001182155894	843738402	/nfs/dbraw/zinc/73/84/02/843738402.db2.gz	VGDCZNDYGJBBHA-UHFFFAOYSA-N	-1	0	278.268	0.171	20	10		CCCDRM
COc1cc([N-]S(=O)(=O)c2ncc[nH]2)ccc1O	ZINC001190721173	845477233	/nfs/dbraw/zinc/47/72/33/845477233.db2.gz	FIUYGFKSQAKWBS-UHFFFAOYSA-N	-1	0	269.282	0.925	20	10		CCCDRM
O=C([O-])C[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)C(=O)[O-]	ZINC001119550319	856733312	/nfs/dbraw/zinc/73/33/12/856733312.db2.gz	DZRWQMOLXPPKJN-NSHDSACASA-N	-1	0	279.292	0.887	20	10		CCCDRM
O=C([O-])[C@@H](O)C[NH2+]Cc1c([O-])ccc(Cl)c1F	ZINC001334852101	919799289	/nfs/dbraw/zinc/79/92/89/919799289.db2.gz	DLLGCMGBWIAMKF-QMMMGPOBSA-N	-1	0	263.652	0.720	20	10		CCCDRM
CC(=O)C(=O)COC(=O)[C@]1(C(=O)[O-])CC=CCC1	ZINC001602737284	971430055	/nfs/dbraw/zinc/43/00/55/971430055.db2.gz	LAWKLVHQSDEGEG-GFCCVEGCSA-N	-1	0	254.238	0.499	20	10		CCCDRM
COC(=O)c1cnc(SCC(=O)NCC(=O)[O-])s1	ZINC001593893702	955804342	/nfs/dbraw/zinc/80/43/42/955804342.db2.gz	ZVNBPLOODDKOBW-UHFFFAOYSA-N	-1	0	290.322	0.223	20	10		CCCDRM
C[C@@](O)(C[NH2+]Cc1ccc(F)c(F)c1[O-])C(=O)[O-]	ZINC001589146498	956293217	/nfs/dbraw/zinc/29/32/17/956293217.db2.gz	FIKAKNBVVNVFGC-LLVKDONJSA-N	-1	0	261.224	0.596	20	10		CCCDRM
CC(CO)(CO)CSc1ncc(C(=O)[O-])s1	ZINC001592734548	979262049	/nfs/dbraw/zinc/26/20/49/979262049.db2.gz	YAEROBJSFDRTKR-UHFFFAOYSA-N	-1	0	263.340	0.924	20	10		CCCDRM
CN(C)c1ccc(OCCOCCO)cc1C(=O)[O-]	ZINC001598328483	991350200	/nfs/dbraw/zinc/35/02/00/991350200.db2.gz	ONZMQMKOGJHJAC-UHFFFAOYSA-N	-1	0	269.297	0.839	20	10		CCCDRM
CN(C)c1ccc(OCc2nnn(C)n2)cc1C(=O)[O-]	ZINC001598330249	991369989	/nfs/dbraw/zinc/36/99/89/991369989.db2.gz	PITDIBQAENWPNW-UHFFFAOYSA-N	-1	0	277.284	0.553	20	10		CCCDRM
Cc1ccc(C(=O)N(C)CCN2CCOCC2)c(O)c1O	ZINC000177680421	389589796	/nfs/dbraw/zinc/58/97/96/389589796.db2.gz	XCUNGJYEQQSELX-UHFFFAOYSA-N	-1	0	294.351	0.810	20	10		CCCDRM
Cn1cc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)cn1	ZINC000728696757	581367913	/nfs/dbraw/zinc/36/79/13/581367913.db2.gz	COFKUOYUJOHNNR-KPKJPENVSA-N	-1	0	268.276	0.882	20	10		CCCDRM
Cc1ccc(C(=O)N(C)[C@@H](C)C(=O)[O-])c(O)c1O	ZINC000821058484	597668970	/nfs/dbraw/zinc/66/89/70/597668970.db2.gz	VCZXLLVCZCNTJH-ZETCQYMHSA-N	-1	0	253.254	0.951	20	10		CCCDRM
COc1ccc(N(C)[C@@H]2CCN(CC(=O)[O-])C2=O)cc1F	ZINC000852726116	617267139	/nfs/dbraw/zinc/26/71/39/617267139.db2.gz	HSHSRWXRHVHHRD-LLVKDONJSA-N	-1	0	296.298	0.956	20	10		CCCDRM
CC(C)(O)[C@H](O)C(=O)NCc1cccc(Cl)c1O	ZINC000890761414	614219448	/nfs/dbraw/zinc/21/94/48/614219448.db2.gz	QZAFHZASZSTCOH-SNVBAGLBSA-N	-1	0	273.716	0.794	20	10		CCCDRM
CCN(C)S(=O)(=O)[N-]N=c1[nH]c2cccnc2s1	ZINC000857225873	614885793	/nfs/dbraw/zinc/88/57/93/614885793.db2.gz	VQYFHFMBCZXNKA-UHFFFAOYSA-N	-1	0	287.370	0.804	20	10		CCCDRM
CCO[N-]C(=O)CNC(=O)NCc1ccc(N(C)C)cc1	ZINC000844780236	615364725	/nfs/dbraw/zinc/36/47/25/615364725.db2.gz	XDIDVRZNIRFNDI-UHFFFAOYSA-N	-1	0	294.355	0.620	20	10		CCCDRM
CN(C)S(=O)(=O)Nc1ccc(O)cc1C(=O)[O-]	ZINC000042431759	615969370	/nfs/dbraw/zinc/96/93/70/615969370.db2.gz	ZZBIECGKUFTYCN-UHFFFAOYSA-N	-1	0	260.271	0.309	20	10		CCCDRM
COC(=O)C1(O)CN(Cc2ccc(F)c(F)c2[O-])C1	ZINC000877770796	616385436	/nfs/dbraw/zinc/38/54/36/616385436.db2.gz	XWPLUKKAQAVVJY-UHFFFAOYSA-N	-1	0	273.235	0.390	20	10		CCCDRM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1cnccn1	ZINC000809154270	640892598	/nfs/dbraw/zinc/89/25/98/640892598.db2.gz	QJLSKVILFFDFAV-XYOKQWHBSA-N	-1	0	266.260	0.938	20	10		CCCDRM
NS(=O)(=O)c1cnc(SCCC(=O)[O-])s1	ZINC000844205921	643182132	/nfs/dbraw/zinc/18/21/32/643182132.db2.gz	SKEGIIWFKQNJMC-UHFFFAOYSA-N	-1	0	268.341	0.357	20	10		CCCDRM
O=C([O-])c1ccc(CN2CCOC(=O)C2)c(O)c1	ZINC001231454247	805807200	/nfs/dbraw/zinc/80/72/00/805807200.db2.gz	PGNKBUSDPUCUIU-UHFFFAOYSA-N	-1	0	251.238	0.449	20	10		CCCDRM
COC(=O)[C@@H]1COCCN1Cc1cc(C(=O)[O-])ccc1O	ZINC001231565426	805816910	/nfs/dbraw/zinc/81/69/10/805816910.db2.gz	VZABADARMWDPBD-NSHDSACASA-N	-1	0	295.291	0.464	20	10		CCCDRM
O=C([O-])c1ccc(O)c(CN2CC3(C2)CS(=O)C3)c1	ZINC001231561778	805817429	/nfs/dbraw/zinc/81/74/29/805817429.db2.gz	ZJHLKJSCXLDNKG-UHFFFAOYSA-N	-1	0	281.333	0.655	20	10		CCCDRM
C[C@H]1CN(Cc2c(F)ccc(F)c2[O-])CC(=O)N1	ZINC001139685731	799829113	/nfs/dbraw/zinc/82/91/13/799829113.db2.gz	VGRROLIMDLDCKV-ZETCQYMHSA-N	-1	0	256.252	0.991	20	10		CCCDRM
C[C@@H]1CNC(=O)CN1Cc1c(F)ccc(F)c1[O-]	ZINC001139686336	799829278	/nfs/dbraw/zinc/82/92/78/799829278.db2.gz	UWPQBYDPPKQOPD-SSDOTTSWSA-N	-1	0	256.252	0.991	20	10		CCCDRM
NC(=O)[C@@H]1CCC2(CN(Cc3c(F)ccc(F)c3[O-])C2)O1	ZINC001276942304	805004107	/nfs/dbraw/zinc/00/41/07/805004107.db2.gz	NIXRHWSBFOKJJR-NSHDSACASA-N	-1	0	298.289	0.889	20	10		CCCDRM
CN(C[C@@H](O)C1CC1)C(=O)c1cccc(O)c1O	ZINC000690336425	815495600	/nfs/dbraw/zinc/49/56/00/815495600.db2.gz	WENUWRYWEIZQPQ-LLVKDONJSA-N	-1	0	251.282	0.941	20	10		CCCDRM
Cc1c(NC(=O)c2c(F)ccc(O)c2[O-])nnn1C	ZINC001183695577	844071308	/nfs/dbraw/zinc/07/13/08/844071308.db2.gz	XKJWBPXDYMUOEU-UHFFFAOYSA-N	-1	0	266.232	0.926	20	10		CCCDRM
CCOC(=O)CS(=O)(=O)[N-]c1ccc(O)cc1O	ZINC001195931490	846651469	/nfs/dbraw/zinc/65/14/69/846651469.db2.gz	SJGAOGZTBXIFKZ-UHFFFAOYSA-N	-1	0	275.282	0.403	20	10		CCCDRM
O=C([O-])[C@@H]1CC[C@H]1C(=O)NCc1ccc(O)c(O)c1	ZINC001595181521	952252675	/nfs/dbraw/zinc/25/26/75/952252675.db2.gz	OCIKQJCLXJIIOX-RKDXNWHRSA-N	-1	0	265.265	0.825	20	10		CCCDRM
CS(=O)(=O)NCCSc1ncc(C(=O)[O-])s1	ZINC001599760007	992107955	/nfs/dbraw/zinc/10/79/55/992107955.db2.gz	AUMIHLORXRMLQE-UHFFFAOYSA-N	-1	0	282.368	0.483	20	10		CCCDRM
C[C@H](NCc1nnn(C)n1)c1cc(C(=O)[O-])ccc1O	ZINC001593316605	994811876	/nfs/dbraw/zinc/81/18/76/994811876.db2.gz	IUYVCIZPBZXBCA-ZETCQYMHSA-N	-1	0	277.284	0.465	20	10		CCCDRM
C[C@@H](Sc1ncc(C(=O)[O-])s1)C(=O)NC(N)=O	ZINC001593678961	996096296	/nfs/dbraw/zinc/09/62/96/996096296.db2.gz	CKJZLYXOLNUWAV-GSVOUGTGSA-N	-1	0	275.311	0.517	20	10		CCCDRM
COC[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C(=O)[O-]	ZINC001599175530	996834960	/nfs/dbraw/zinc/83/49/60/996834960.db2.gz	SWFAKWGUYHSBBR-SECBINFHSA-N	-1	0	294.267	0.678	20	10		CCCDRM
COc1ccc(CNC(=O)NC[C@H]2C[C@H]2C(=O)[O-])c(O)c1	ZINC001599567340	998308442	/nfs/dbraw/zinc/30/84/42/998308442.db2.gz	RNHDTWJXQDRYEN-MWLCHTKSSA-N	-1	0	294.307	0.921	20	10		CCCDRM
COC[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)[O-]	ZINC001599168339	998575422	/nfs/dbraw/zinc/57/54/22/998575422.db2.gz	YCEOTERLNNYOGW-LVCFMKKZSA-N	-1	0	281.264	0.327	20	10		CCCDRM
C[C@@H](O)C(=O)N1CCN(Cc2cc(F)ccc2O)CC1	ZINC000180209841	389667147	/nfs/dbraw/zinc/66/71/47/389667147.db2.gz	FEFUSPZHJSSQQQ-SNVBAGLBSA-N	-1	0	282.315	0.556	20	10		CCCDRM
COC[C@](C)([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])C(=O)[O-]	ZINC000789904004	581161450	/nfs/dbraw/zinc/16/14/50/581161450.db2.gz	NTFKARZEGYTJCQ-LBPRGKRZSA-N	-1	0	284.268	0.880	20	10		CCCDRM
CN(CC(=O)N(C)Cc1ccccc1O)C(=O)[O-]	ZINC000739616525	581581908	/nfs/dbraw/zinc/58/19/08/581581908.db2.gz	FPCDHPIQCKJSSG-UHFFFAOYSA-N	-1	0	252.270	0.960	20	10		CCCDRM
O=C([O-])/C=C\c1ccc(N2CC(O)C2)c([N+](=O)[O-])c1	ZINC000739623994	581583187	/nfs/dbraw/zinc/58/31/87/581583187.db2.gz	IGZYJTRNWRTFBN-RQOWECAXSA-N	-1	0	264.237	0.874	20	10		CCCDRM
Oc1cccc(Cl)c1C[N@H+]1C[C@H](O)C[C@H](O)C1	ZINC000769562713	581695547	/nfs/dbraw/zinc/69/55/47/581695547.db2.gz	DMHPFGIDQIJUEI-DTORHVGOSA-N	-1	0	257.717	0.973	20	10		CCCDRM
Cn1cc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)nn1	ZINC000741466679	581754528	/nfs/dbraw/zinc/75/45/28/581754528.db2.gz	APKSBHPWUSUXGW-YRNVUSSQSA-N	-1	0	269.264	0.277	20	10		CCCDRM
O=C(C=Cc1ccc(O)c(O)c1)OCc1n[nH]c(=O)[n-]1	ZINC000759588233	581810125	/nfs/dbraw/zinc/81/01/25/581810125.db2.gz	JWUJZVSPXXGGIX-DUXPYHPUSA-N	-1	0	277.236	0.678	20	10		CCCDRM
Cn1ccc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)n1	ZINC000773151727	581910273	/nfs/dbraw/zinc/91/02/73/581910273.db2.gz	AUFFBDLYBSCPLF-FMIVXFBMSA-N	-1	0	268.276	0.882	20	10		CCCDRM
CCNC(=O)CN(C)Cc1cc2c(cc1O)OC[C@H]2O	ZINC000768441291	582106695	/nfs/dbraw/zinc/10/66/95/582106695.db2.gz	YDWUXEPKWVGFQY-GFCCVEGCSA-N	-1	0	280.324	0.386	20	10		CCCDRM
COc1cc(O)c(CN2CCO[C@@H](C(=O)[O-])C2)cc1OC	ZINC000820774750	617207695	/nfs/dbraw/zinc/20/76/95/617207695.db2.gz	HZIGQEFJXKOLOC-CYBMUJFWSA-N	-1	0	297.307	0.695	20	10		CCCDRM
CC(=O)NCC[N@H+](Cc1cccc(F)c1[O-])[C@H](C)C(=O)[O-]	ZINC000819779930	613737770	/nfs/dbraw/zinc/73/77/70/613737770.db2.gz	AWNWLKUYEJNTDJ-SECBINFHSA-N	-1	0	298.314	0.943	20	10		CCCDRM
CCO[N-]C(=O)CNC(=O)NCc1ccccc1O	ZINC000845542243	615364714	/nfs/dbraw/zinc/36/47/14/615364714.db2.gz	ZUMSNNWFUZTFDB-UHFFFAOYSA-N	-1	0	267.285	0.259	20	10		CCCDRM
CN(CCn1cncn1)c1ccc(OCC(=O)[O-])cc1	ZINC000846279466	616129310	/nfs/dbraw/zinc/12/93/10/616129310.db2.gz	FMUCCLSGJURFHV-UHFFFAOYSA-N	-1	0	276.296	0.878	20	10		CCCDRM
CN(Cc1ccccc1O)C(=O)CCCc1nnn[n-]1	ZINC000820879475	616170631	/nfs/dbraw/zinc/17/06/31/616170631.db2.gz	SYDYLMWUXXQIOD-UHFFFAOYSA-N	-1	0	275.312	0.887	20	10		CCCDRM
COCCN1CN(Cc2cc(F)cc(F)c2[O-])CC1=O	ZINC000894679409	616431274	/nfs/dbraw/zinc/43/12/74/616431274.db2.gz	NICMZFNOTWWQDP-UHFFFAOYSA-N	-1	0	286.278	0.919	20	10		CCCDRM
C[C@@H]1C(=O)NCCN1Cc1cc(F)cc(F)c1[O-]	ZINC000893984295	631496087	/nfs/dbraw/zinc/49/60/87/631496087.db2.gz	MMBHBSNLTITNQP-SSDOTTSWSA-N	-1	0	256.252	0.991	20	10		CCCDRM
CNC(=O)CN(C)Cc1c([O-])ccc2c(C)cc(=O)oc21	ZINC001139127629	799783553	/nfs/dbraw/zinc/78/35/53/799783553.db2.gz	ZMWXWKIJMGWQOA-UHFFFAOYSA-N	-1	0	290.319	0.985	20	10		CCCDRM
Cc1cc(C)c(CNC(=O)Cc2nnn[n-]2)c(O)c1	ZINC001176847147	842445775	/nfs/dbraw/zinc/44/57/75/842445775.db2.gz	KFDPQAKVNBSKGZ-UHFFFAOYSA-N	-1	0	261.285	0.381	20	10		CCCDRM
O=C(CCc1ccc(O)c(O)c1)NC1C(=O)N=CN=C1[O-]	ZINC001182155151	843737153	/nfs/dbraw/zinc/73/71/53/843737153.db2.gz	SWTXVPAFBAVPLK-UHFFFAOYSA-N	-1	0	291.263	0.870	20	10		CCCDRM
O=C(NCS(=O)(=O)[O-])c1ccc(O)c(O)c1Cl	ZINC001193236675	846030334	/nfs/dbraw/zinc/03/03/34/846030334.db2.gz	MMYZFLJIBNUEKU-UHFFFAOYSA-N	-1	0	281.673	0.326	20	10		CCCDRM
O=C(NCc1n[nH]c(=O)[n-]1)c1ccc(O)c(O)c1Cl	ZINC001193236630	846030505	/nfs/dbraw/zinc/03/05/05/846030505.db2.gz	KFYUKLPHUMTQLS-UHFFFAOYSA-N	-1	0	284.659	0.505	20	10		CCCDRM
[O-]c1c(F)ccc(F)c1CN1CCOC[C@H](O)C1	ZINC001139684788	855698671	/nfs/dbraw/zinc/69/86/71/855698671.db2.gz	LJQFENGOJYNMDU-MRVPVSSYSA-N	-1	0	259.252	0.864	20	10		CCCDRM
CC(=O)C(=O)COC(=O)[C@@]1(C(=O)[O-])CC=CCC1	ZINC001602737285	971430077	/nfs/dbraw/zinc/43/00/77/971430077.db2.gz	LAWKLVHQSDEGEG-LBPRGKRZSA-N	-1	0	254.238	0.499	20	10		CCCDRM
CC(C)(C(=O)[O-])C(=O)NCc1ccc(O)c(O)c1	ZINC001602836790	971663232	/nfs/dbraw/zinc/66/32/32/971663232.db2.gz	MYPRCDJPPUWPQG-UHFFFAOYSA-N	-1	0	253.254	0.825	20	10		CCCDRM
O=C([O-])C1=NO[C@@H](C(=O)NCc2cc(Cl)ccc2O)C1	ZINC001594890530	954517638	/nfs/dbraw/zinc/51/76/38/954517638.db2.gz	IUSBSHBGCZATAG-SNVBAGLBSA-N	-1	0	298.682	0.891	20	10		CCCDRM
O=C([O-])c1cn(C2CN(Cc3ccccc3O)C2)nn1	ZINC000092698915	958175225	/nfs/dbraw/zinc/17/52/25/958175225.db2.gz	BQPGIYOOGLNWAL-UHFFFAOYSA-N	-1	0	274.280	0.739	20	10		CCCDRM
C[C@@H](C(=O)[O-])C(=O)OCC(=O)c1ccc(O)c(O)c1	ZINC001609706526	970483387	/nfs/dbraw/zinc/48/33/87/970483387.db2.gz	XFIMCOUKVILSCR-LURJTMIESA-N	-1	0	268.221	0.544	20	10		CCCDRM
O=C([O-])[C@@H]1CN(Cc2cc(F)c(F)cc2O)CCO1	ZINC001606046497	973152655	/nfs/dbraw/zinc/15/26/55/973152655.db2.gz	URFGRTWQWVVERQ-NSHDSACASA-N	-1	0	273.235	0.956	20	10		CCCDRM
CO[C@@](C)(C(=O)[O-])C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	ZINC001604455383	973296554	/nfs/dbraw/zinc/29/65/54/973296554.db2.gz	UTGJHAGNEWRNNX-XLKFXECMSA-N	-1	0	297.307	0.635	20	10		CCCDRM
CCC(CC)(CC(=O)[O-])C(=O)OCC(=O)C(C)=O	ZINC001595047841	979261238	/nfs/dbraw/zinc/26/12/38/979261238.db2.gz	LUQMABLGQFMJNJ-UHFFFAOYSA-N	-1	0	258.270	0.969	20	10		CCCDRM
CCN(C)S(=O)(=O)Nc1ccc(O)cc1C(=O)[O-]	ZINC001596194849	983577752	/nfs/dbraw/zinc/57/77/52/983577752.db2.gz	UJMFEJTVCAQUGL-UHFFFAOYSA-N	-1	0	274.298	0.699	20	10		CCCDRM
COC(=O)c1cnc(SCc2nnn[n-]2)s1	ZINC000295418246	389007020	/nfs/dbraw/zinc/00/70/20/389007020.db2.gz	XWCRJILVWURHAI-UHFFFAOYSA-N	-1	0	257.300	0.735	20	10		CCCDRM
O=C(CN1CC[NH+](Cc2ccccc2O)CC1)NC1CC1	ZINC000179554111	389659383	/nfs/dbraw/zinc/65/93/83/389659383.db2.gz	HHXYXSBNZYEWRF-UHFFFAOYSA-N	-1	0	289.379	0.788	20	10		CCCDRM
COc1ccc(O)c(CNC(=O)CCNC(=O)[O-])c1	ZINC000738044398	581243804	/nfs/dbraw/zinc/24/38/04/581243804.db2.gz	OHQBYMZUEACXDW-UHFFFAOYSA-N	-1	0	268.269	0.675	20	10		CCCDRM
COc1ccc(O)c(CNC(=O)NCCCNC(=O)[O-])c1	ZINC000739930697	581635944	/nfs/dbraw/zinc/63/59/44/581635944.db2.gz	NHPGDJIFVMWIKI-UHFFFAOYSA-N	-1	0	297.311	0.858	20	10		CCCDRM
Cc1cc(C(=O)NCc2nnn[n-]2)c(C)n1-c1ccccn1	ZINC000732158140	581807285	/nfs/dbraw/zinc/80/72/85/581807285.db2.gz	UQLTYMFFAJTIPM-UHFFFAOYSA-N	-1	0	297.322	0.932	20	10		CCCDRM
COc1ccc(O)c([C@@H](C)NC(=O)c2cc(=O)[nH][n-]2)c1	ZINC000732287271	581817632	/nfs/dbraw/zinc/81/76/32/581817632.db2.gz	SARMFHMEEVJBOU-SSDOTTSWSA-N	-1	0	277.280	0.454	20	10		CCCDRM
Cn1nccc1C(=O)Nc1nnc(C2=S=CC=C2)[n-]1	ZINC000748837730	581990387	/nfs/dbraw/zinc/99/03/87/581990387.db2.gz	JAIJBMNHANTKQD-UHFFFAOYSA-N	-1	0	274.309	0.416	20	10		CCCDRM
C[C@@H](NC(=O)c1cc(=O)[nH][n-]1)c1ccc(N(C)C)cc1	ZINC000776269351	582066089	/nfs/dbraw/zinc/06/60/89/582066089.db2.gz	JWEBRAGNWKJCQD-SECBINFHSA-N	-1	0	274.324	0.806	20	10		CCCDRM
O=C([O-])C[C@@H]1CN(C(=O)C2=CC(=O)CS2)CCO1	ZINC000833218427	601760449	/nfs/dbraw/zinc/76/04/49/601760449.db2.gz	XDEMJDDHTYXEQV-MRVPVSSYSA-N	-1	0	271.294	0.769	20	10		CCCDRM
O=C([O-])N1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1	ZINC000834115086	605694020	/nfs/dbraw/zinc/69/40/20/605694020.db2.gz	IQOWSQLXFVTNBZ-RQOWECAXSA-N	-1	0	292.291	0.933	20	10		CCCDRM
CC(C)NC(=O)[C@@H](C)NC(=O)c1cccc(O)c1O	ZINC000126530887	613931799	/nfs/dbraw/zinc/93/17/99/613931799.db2.gz	PNKZSIWELCEKNE-MRVPVSSYSA-N	-1	0	266.297	0.741	20	10		CCCDRM
CCOc1ccc(O)c(CN(CC(=O)[O-])CC(=O)OC)c1	ZINC000833662615	615511810	/nfs/dbraw/zinc/51/18/10/615511810.db2.gz	HZVIFSWGVRGCEO-UHFFFAOYSA-N	-1	0	297.307	0.851	20	10		CCCDRM
CN(Cc1ccc(F)c(F)c1[O-])C1CS(=O)(=O)C1	ZINC000864052941	616166539	/nfs/dbraw/zinc/16/65/39/616166539.db2.gz	DMCCRLDUAMNXQF-UHFFFAOYSA-N	-1	0	277.292	0.899	20	10		CCCDRM
CN(Cc1ccccc1O)C(=O)COCC(=O)[O-]	ZINC000041073574	616170696	/nfs/dbraw/zinc/17/06/96/616170696.db2.gz	FWSPXQOTUBVSQC-UHFFFAOYSA-N	-1	0	253.254	0.452	20	10		CCCDRM
CN(Cc1ccccc1O)C(=O)Cn1cc(C(=O)[O-])nn1	ZINC000830860352	616170732	/nfs/dbraw/zinc/17/07/32/616170732.db2.gz	SJFCLBHSVZIWCJ-UHFFFAOYSA-N	-1	0	290.279	0.341	20	10		CCCDRM
COCCNC(=O)CN(CC(=O)[O-])c1ccc(OC)cc1	ZINC000872884313	616486570	/nfs/dbraw/zinc/48/65/70/616486570.db2.gz	MCIMVHRIITXXJN-UHFFFAOYSA-N	-1	0	296.323	0.349	20	10		CCCDRM
COC(=O)COc1ccc(N(C)CC(=O)[O-])cc1	ZINC000820668231	616617908	/nfs/dbraw/zinc/61/79/08/616617908.db2.gz	RDUZYEOYMIADOI-UHFFFAOYSA-N	-1	0	253.254	0.759	20	10		CCCDRM
CO[C@@H]1C[C@H]1C(=O)N(CC(=O)[O-])Cc1ccccc1O	ZINC000911490085	616875002	/nfs/dbraw/zinc/87/50/02/616875002.db2.gz	XAPHPFSREDSSBZ-ZYHUDNBSSA-N	-1	0	279.292	0.840	20	10		CCCDRM
COCCN(CC(=O)[O-])C(=O)/C=C/c1ccc(O)c(O)c1	ZINC000820718963	616980284	/nfs/dbraw/zinc/98/02/84/616980284.db2.gz	ITTAPYIFIAMTMH-HWKANZROSA-N	-1	0	295.291	0.671	20	10		CCCDRM
CO[N-]C(=O)CNC(=O)NCc1ccc(N(C)C)c(F)c1	ZINC000915367097	617113514	/nfs/dbraw/zinc/11/35/14/617113514.db2.gz	VPFSUXZOZAPPHS-UHFFFAOYSA-N	-1	0	298.318	0.369	20	10		CCCDRM
O=C(N[C@@H]1CC12CC(O)C2)c1c(F)ccc(O)c1O	ZINC000900767285	634083658	/nfs/dbraw/zinc/08/36/58/634083658.db2.gz	QLZAZLQOGPIPCT-RIUAISMDSA-N	-1	0	267.256	0.880	20	10		CCCDRM
O=C([O-])c1ccc(CN2CCNC(=O)C2)c(O)c1	ZINC001231446285	805803931	/nfs/dbraw/zinc/80/39/31/805803931.db2.gz	GMFGZQDQWVABEL-UHFFFAOYSA-N	-1	0	250.254	0.022	20	10		CCCDRM
O=C([O-])C(=O)N1CCCc2cc(O)c(O)cc2C1	ZINC001143412902	791367711	/nfs/dbraw/zinc/36/77/11/791367711.db2.gz	DUBYYEJEEUNUHK-UHFFFAOYSA-N	-1	0	251.238	0.457	20	10		CCCDRM
C[C@H]1C(=O)NCCN1Cc1c(F)ccc(F)c1[O-]	ZINC001139683317	799829515	/nfs/dbraw/zinc/82/95/15/799829515.db2.gz	HFJURMLRPRKNQG-ZETCQYMHSA-N	-1	0	256.252	0.991	20	10		CCCDRM
C[C@H]1C(=O)NCCN1Cc1c([O-])cc(F)cc1F	ZINC001140584137	799924236	/nfs/dbraw/zinc/92/42/36/799924236.db2.gz	FSTQIAAXYHYRDU-ZETCQYMHSA-N	-1	0	256.252	0.991	20	10		CCCDRM
NC(=O)[C@H]1CCC2(CN(Cc3c(F)ccc(F)c3[O-])C2)O1	ZINC001276942303	805004879	/nfs/dbraw/zinc/00/48/79/805004879.db2.gz	NIXRHWSBFOKJJR-LLVKDONJSA-N	-1	0	298.289	0.889	20	10		CCCDRM
COc1ccc(CN2CCNC(=O)C2)c([O-])c1Cl	ZINC001236802509	817412664	/nfs/dbraw/zinc/41/26/64/817412664.db2.gz	RHTHQUOGOPDVRL-UHFFFAOYSA-N	-1	0	270.716	0.986	20	10		CCCDRM
O=C(NCc1cccnn1)c1cc(=O)n(-c2ccccc2)[n-]1	ZINC001147889879	840703870	/nfs/dbraw/zinc/70/38/70/840703870.db2.gz	UXVOUERTYRPKSO-UHFFFAOYSA-N	-1	0	295.302	0.886	20	10		CCCDRM
O=C(NCc1cn[nH]n1)c1cc(=O)n(-c2ccccc2)[n-]1	ZINC001147889776	840705084	/nfs/dbraw/zinc/70/50/84/840705084.db2.gz	QEYXKULICLRION-UHFFFAOYSA-N	-1	0	284.279	0.214	20	10		CCCDRM
O=C(Nc1cn[nH]c(=O)c1)c1cc(=O)n(-c2ccccc2)[n-]1	ZINC001147881405	840713269	/nfs/dbraw/zinc/71/32/69/840713269.db2.gz	WRPJBNDMOQLVFB-UHFFFAOYSA-N	-1	0	297.274	0.914	20	10		CCCDRM
O=C(c1cc(=O)n(-c2ccccc2)[n-]1)N1C[C@@H]2C[C@H]1C(=O)O2	ZINC001147884012	840714598	/nfs/dbraw/zinc/71/45/98/840714598.db2.gz	OOGRZCQSMKENHO-JQWIXIFHSA-N	-1	0	299.286	0.306	20	10		CCCDRM
O=C(/C=C/c1ccc(O)c(O)c1)NCS(=O)(=O)[O-]	ZINC001179689074	843033000	/nfs/dbraw/zinc/03/30/00/843033000.db2.gz	BYBZJFSNBVDXTC-DUXPYHPUSA-N	-1	0	273.266	0.073	20	10		CCCDRM
CN(C[C@@H](O)CO)C(=O)c1cc(O)c([O-])c(Cl)c1	ZINC001193604395	846138435	/nfs/dbraw/zinc/13/84/35/846138435.db2.gz	VXQFIALEOJXERY-SSDOTTSWSA-N	-1	0	275.688	0.176	20	10		CCCDRM
O=C([O-])[C@@H]1CC[C@@H]1C(=O)NCc1cccc(O)c1O	ZINC001594771317	953559410	/nfs/dbraw/zinc/55/94/10/953559410.db2.gz	OKOCCETUAVPXSY-DTWKUNHWSA-N	-1	0	265.265	0.825	20	10		CCCDRM
O=C([O-])[C@@H]1CC[C@H]1C(=O)NCc1cccc(O)c1O	ZINC001574769329	957748994	/nfs/dbraw/zinc/74/89/94/957748994.db2.gz	OKOCCETUAVPXSY-RKDXNWHRSA-N	-1	0	265.265	0.825	20	10		CCCDRM
COCCN(CC(=O)[O-])C(=O)c1cccc(O)c1O	ZINC000126011572	958577167	/nfs/dbraw/zinc/57/71/67/958577167.db2.gz	DTZVIFFXYNILGQ-UHFFFAOYSA-N	-1	0	269.253	0.271	20	10		CCCDRM
CC(=O)C(=O)COC(=O)c1ncccc1C(=O)[O-]	ZINC001588485666	958603770	/nfs/dbraw/zinc/60/37/70/958603770.db2.gz	CZMMJFUWUDLIQR-UHFFFAOYSA-N	-1	0	251.194	0.095	20	10		CCCDRM
O=C([O-])[C@@H]1COCCN1Cc1cc(F)ccc1O	ZINC000236452875	960626600	/nfs/dbraw/zinc/62/66/00/960626600.db2.gz	BSFBDVNZOQBVTF-JTQLQIEISA-N	-1	0	255.245	0.817	20	10		CCCDRM
CO[C@](C)(C(=O)[O-])C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	ZINC001604455380	973296702	/nfs/dbraw/zinc/29/67/02/973296702.db2.gz	UTGJHAGNEWRNNX-CLAHSXSESA-N	-1	0	297.307	0.635	20	10		CCCDRM
COc1ccc(CNc2ccnc(C(=O)[O-])n2)c(O)c1	ZINC001599574687	998422937	/nfs/dbraw/zinc/42/29/37/998422937.db2.gz	LESFFRWRRCZQRS-UHFFFAOYSA-N	-1	0	275.264	0.923	20	10		CCCDRM
Cn1cnnc1NC(=O)c1c([O-])c(O)ccc1F	ZINC000788316778	581105586	/nfs/dbraw/zinc/10/55/86/581105586.db2.gz	SPDQJIDMEXLRGV-UHFFFAOYSA-N	-1	0	252.205	0.618	20	10		CCCDRM
O=C([O-])NCCNC(=O)NCc1ccccc1O	ZINC000740663226	581709132	/nfs/dbraw/zinc/70/91/32/581709132.db2.gz	OVHSJIAKNYVFDZ-UHFFFAOYSA-N	-1	0	253.258	0.459	20	10		CCCDRM
O=C([O-])N1CC(CC(=O)NCCc2ccc(O)c(O)c2)C1	ZINC000831360282	605520395	/nfs/dbraw/zinc/52/03/95/605520395.db2.gz	BFDDSHSLPVDHRX-UHFFFAOYSA-N	-1	0	294.307	0.756	20	10		CCCDRM
COc1ccc(CNC(=O)COCC(=O)[O-])c(O)c1	ZINC000843331992	617253420	/nfs/dbraw/zinc/25/34/20/617253420.db2.gz	HORHHSDZYKSXPI-UHFFFAOYSA-N	-1	0	269.253	0.118	20	10		CCCDRM
CCO[N-]C(=O)CNC(=O)N1Cc2cccc(O)c2C1	ZINC000875698475	615362283	/nfs/dbraw/zinc/36/22/83/615362283.db2.gz	QPMAAJNCUOCSCV-UHFFFAOYSA-N	-1	0	279.296	0.485	20	10		CCCDRM
CCO[N-]C(=O)CNC(=O)NCc1cc(OC)ccc1O	ZINC000845546571	615364745	/nfs/dbraw/zinc/36/47/45/615364745.db2.gz	VZNDXIFRNUJMAL-UHFFFAOYSA-N	-1	0	297.311	0.268	20	10		CCCDRM
CN(Cc1ccccc1O)C(=O)[C@@H]1CC[C@H](C(=O)[O-])O1	ZINC000222590310	636876123	/nfs/dbraw/zinc/87/61/23/636876123.db2.gz	IVGLVNOAJLJSTN-NWDGAFQWSA-N	-1	0	279.292	0.983	20	10		CCCDRM
Cn1nnc(CNCc2cc(Cl)c(F)cc2[O-])n1	ZINC000816594050	641178240	/nfs/dbraw/zinc/17/82/40/641178240.db2.gz	NOOHBAFMSZFWLM-UHFFFAOYSA-N	-1	0	271.683	0.998	20	10		CCCDRM
CN1CCN(Cc2c(F)ccc(F)c2[O-])CC1=O	ZINC001139684662	799829980	/nfs/dbraw/zinc/82/99/80/799829980.db2.gz	KHMUYIVUQDEAHE-UHFFFAOYSA-N	-1	0	256.252	0.944	20	10		CCCDRM
O=C1COC[C@H]2CN(Cc3c(F)ccc(F)c3[O-])CCN12	ZINC001139685954	799830377	/nfs/dbraw/zinc/83/03/77/799830377.db2.gz	HGDWACNWPPJDTN-SECBINFHSA-N	-1	0	298.289	0.713	20	10		CCCDRM
COC[C@@]1(C(=O)[O-])CCN(C(=O)Cc2ccc(N)cc2)C1	ZINC000315100955	804581564	/nfs/dbraw/zinc/58/15/64/804581564.db2.gz	HELKGHTXNZPZOY-OAHLLOKOSA-N	-1	0	292.335	0.761	20	10		CCCDRM
CN1C(=O)COCC12CN(Cc1c([O-])cc(F)cc1F)C2	ZINC001272617091	816863976	/nfs/dbraw/zinc/86/39/76/816863976.db2.gz	SGKPYPUZKHXPBX-UHFFFAOYSA-N	-1	0	298.289	0.713	20	10		CCCDRM
O=C(N[C@@H]1CCC(=O)NC1=O)c1cc(O)c([O-])c(Cl)c1	ZINC001193625294	846127922	/nfs/dbraw/zinc/12/79/22/846127922.db2.gz	GURQAFQORXYUOQ-SSDOTTSWSA-N	-1	0	298.682	0.286	20	10		CCCDRM
CN(c1ccc2c(c1)OCO2)[C@H]1CCN(CC(=O)[O-])C1=O	ZINC001593766367	954520509	/nfs/dbraw/zinc/52/05/09/954520509.db2.gz	MPAWHSCKZFAYGW-JTQLQIEISA-N	-1	0	292.291	0.537	20	10		CCCDRM
C[C@H]1CN(C(=O)NCc2ccc(N)cc2)C[C@@H](C(=O)[O-])O1	ZINC001599921279	985137274	/nfs/dbraw/zinc/13/72/74/985137274.db2.gz	CFIWXTYWSWJQNF-CABZTGNLSA-N	-1	0	293.323	0.652	20	10		CCCDRM
CON(C)C(=O)CN(C)c1ccc(OCC(=O)[O-])cc1	ZINC001599315340	997489824	/nfs/dbraw/zinc/48/98/24/997489824.db2.gz	DOFUJWVFXXDPGY-UHFFFAOYSA-N	-1	0	282.296	0.606	20	10		CCCDRM
C[C@]1(CSc2ncc(C(=O)[O-])s2)NC(=O)NC1=O	ZINC001594038490	997641039	/nfs/dbraw/zinc/64/10/39/997641039.db2.gz	BLNBEEJYLQTXAI-SECBINFHSA-N	-1	0	287.322	0.532	20	10		CCCDRM
CN(CC(N)=O)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000271057454	353018868	/nfs/dbraw/zinc/01/88/68/353018868.db2.gz	ULCQAPMVJSXWRA-UHFFFAOYSA-N	-1	0	273.676	0.871	20	10		CCCDRM
O=C([O-])C(=O)NCc1ccc(N2CCOCC2)cc1	ZINC000274194523	353114912	/nfs/dbraw/zinc/11/49/12/353114912.db2.gz	RLZQXFMAEZGWTL-UHFFFAOYSA-N	-1	0	264.281	0.224	20	10		CCCDRM
COCCCONC(=O)c1c(F)ccc(O)c1[O-]	ZINC000295690225	353912387	/nfs/dbraw/zinc/91/23/87/353912387.db2.gz	JBCNYEOTGJIJEI-UHFFFAOYSA-N	-1	0	259.233	0.935	20	10		CCCDRM
CC[C@@H](NC(=O)c1cccc(O)c1O)C(=O)OC	ZINC000275085570	330109137	/nfs/dbraw/zinc/10/91/37/330109137.db2.gz	FTPPIJNXENRQKS-MRVPVSSYSA-N	-1	0	253.254	0.779	20	10		CCCDRM
COc1ccc(N(C)CC(=O)NCC(=O)[O-])cc1Cl	ZINC000294825060	533982088	/nfs/dbraw/zinc/98/20/88/533982088.db2.gz	RUBRWASQKMPXLQ-UHFFFAOYSA-N	-1	0	286.715	0.986	20	10		CCCDRM
COc1cccc(CNC(=O)COCCNC(=O)[O-])c1O	ZINC000739947612	581638006	/nfs/dbraw/zinc/63/80/06/581638006.db2.gz	RFRNUWYKMFUZKF-UHFFFAOYSA-N	-1	0	298.295	0.301	20	10		CCCDRM
COc1ccc(O)c(CNC(=O)CN(C)C(=O)[O-])c1	ZINC000738043697	582017883	/nfs/dbraw/zinc/01/78/83/582017883.db2.gz	FLTPHXZDTDNVFY-UHFFFAOYSA-N	-1	0	268.269	0.627	20	10		CCCDRM
C[C@@H](CS(=O)(=O)N(C)Cc1ccccc1O)C(=O)[O-]	ZINC000833518804	605031919	/nfs/dbraw/zinc/03/19/19/605031919.db2.gz	JKSMTCMSULNRPW-VIFPVBQESA-N	-1	0	287.337	0.875	20	10		CCCDRM
CC(=O)C(=O)COC(=O)c1ccccc1[N-]S(C)(=O)=O	ZINC000808494404	613661095	/nfs/dbraw/zinc/66/10/95/613661095.db2.gz	NPZQLWNJMAMJNB-UHFFFAOYSA-N	-1	0	299.304	0.373	20	10		CCCDRM
CC(C)(C)n1nnc(CNC(=O)c2cccc(O)c2O)n1	ZINC000848296363	614072406	/nfs/dbraw/zinc/07/24/06/614072406.db2.gz	ZMZOKUGZSAUYNK-UHFFFAOYSA-N	-1	0	291.311	0.769	20	10		CCCDRM
COCC(=O)NC[C@@H](NC(=O)[O-])c1ccc(N(C)C)cc1	ZINC000828885892	616701069	/nfs/dbraw/zinc/70/10/69/616701069.db2.gz	PTACGORBCULCII-GFCCVEGCSA-N	-1	0	295.339	0.824	20	10		CCCDRM
O=C([O-])COCC(=O)NCc1c(O)ccc2c1CCCC2	ZINC000843330158	643032018	/nfs/dbraw/zinc/03/20/18/643032018.db2.gz	RMQNYESFOQDELX-UHFFFAOYSA-N	-1	0	293.319	0.988	20	10		CCCDRM
CCN1C(=O)CN(Cc2c(F)ccc(F)c2[O-])CC1=O	ZINC001139685495	799830234	/nfs/dbraw/zinc/83/02/34/799830234.db2.gz	LSIKMULJJCFFAW-UHFFFAOYSA-N	-1	0	284.262	0.861	20	10		CCCDRM
O=C(N=c1ncnc2[nH][nH]cc1-2)c1cccc(O)c1[O-]	ZINC001148212778	840762032	/nfs/dbraw/zinc/76/20/32/840762032.db2.gz	LZJKDPMCSLHINN-UHFFFAOYSA-N	-1	0	271.236	0.390	20	10		CCCDRM
CC(C)[C@H](O)C(=O)NCC(=O)c1ccc(O)c(O)c1	ZINC001179606838	843025872	/nfs/dbraw/zinc/02/58/72/843025872.db2.gz	DCZMYZBHDWXYLA-LBPRGKRZSA-N	-1	0	267.281	0.414	20	10		CCCDRM
Nc1nonc1NC(=O)c1cc(O)c([O-])c(Cl)c1	ZINC001193589275	846114517	/nfs/dbraw/zinc/11/45/17/846114517.db2.gz	GVZTUMKBUBODRZ-UHFFFAOYSA-N	-1	0	270.632	0.969	20	10		CCCDRM
CO[C@](C)(C(=O)[O-])C(=O)NCc1ccc(O)cc1O	ZINC001593925780	956123663	/nfs/dbraw/zinc/12/36/63/956123663.db2.gz	HFKSVGZSLFCSIQ-LBPRGKRZSA-N	-1	0	269.253	0.204	20	10		CCCDRM
O=C([O-])c1n[nH]cc1NC(=O)Cc1ccc(O)c(O)c1	ZINC001594707923	956854817	/nfs/dbraw/zinc/85/48/17/956854817.db2.gz	VDNUIDIMKOSKID-UHFFFAOYSA-N	-1	0	277.236	0.700	20	10		CCCDRM
CON(C(=O)c1ccc(C)c(O)c1O)[C@H](C)C(=O)[O-]	ZINC001594040198	957859682	/nfs/dbraw/zinc/85/96/82/957859682.db2.gz	UGBNLEUBTMFDJI-SSDOTTSWSA-N	-1	0	269.253	0.883	20	10		CCCDRM
COCCN(CC(=O)[O-])C(=O)Cc1ccc(N)cc1	ZINC000092493880	958166046	/nfs/dbraw/zinc/16/60/46/958166046.db2.gz	DAZGOPQIIRRSJE-UHFFFAOYSA-N	-1	0	266.297	0.371	20	10		CCCDRM
Cc1ccc(C(=O)N2CCOC[C@H]2C(=O)[O-])c(O)c1O	ZINC001594344364	958316856	/nfs/dbraw/zinc/31/68/56/958316856.db2.gz	XQWUABCCNGXZQI-VIFPVBQESA-N	-1	0	281.264	0.332	20	10		CCCDRM
COc1cccc(CNC(=O)[C@](C)(OC)C(=O)[O-])c1O	ZINC001604862885	974103377	/nfs/dbraw/zinc/10/33/77/974103377.db2.gz	CKHGDFIRRZAKAP-ZDUSSCGKSA-N	-1	0	283.280	0.507	20	10		CCCDRM
C[C@@](CO)([NH2+]Cc1ccc(F)c(F)c1[O-])C(=O)[O-]	ZINC001592750940	979318231	/nfs/dbraw/zinc/31/82/31/979318231.db2.gz	QJOIBXSZDZJZBD-NSHDSACASA-N	-1	0	261.224	0.596	20	10		CCCDRM
CC(=O)C(=O)COC(=O)c1ccc(C(=O)[O-])cc1F	ZINC001589021013	985008792	/nfs/dbraw/zinc/00/87/92/985008792.db2.gz	JDDXMLPCFWKSPJ-UHFFFAOYSA-N	-1	0	268.196	0.839	20	10		CCCDRM
CC(=O)C(=O)COC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1	ZINC001589021675	985012487	/nfs/dbraw/zinc/01/24/87/985012487.db2.gz	SBAKKWIHWFBEFJ-IUCAKERBSA-N	-1	0	256.254	0.579	20	10		CCCDRM
CCOC[C@@H](C(=O)[O-])N(C)C(=O)c1cccc(O)c1O	ZINC001596878023	985738993	/nfs/dbraw/zinc/73/89/93/985738993.db2.gz	CRVJLRHWBMSPEO-VIFPVBQESA-N	-1	0	283.280	0.660	20	10		CCCDRM
O=C([O-])c1cc(NS(=O)(=O)N2CCCC2)ccc1O	ZINC000020254849	171107968	/nfs/dbraw/zinc/10/79/68/171107968.db2.gz	YWXFLUPTKNOPER-UHFFFAOYSA-N	-1	0	286.309	0.843	20	10		CCCDRM
COc1cccc(CNC(=O)CNC(=O)[O-])c1O	ZINC000738104665	581367308	/nfs/dbraw/zinc/36/73/08/581367308.db2.gz	MWMOGFARFYXMFN-UHFFFAOYSA-N	-1	0	254.242	0.285	20	10		CCCDRM
Cn1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cn1	ZINC000728696756	581367874	/nfs/dbraw/zinc/36/78/74/581367874.db2.gz	COFKUOYUJOHNNR-GHXNOFRVSA-N	-1	0	268.276	0.882	20	10		CCCDRM
COc1ccc(CNC(=O)c2n[nH]c(=O)[n-]2)c(O)c1	ZINC000796351537	581438491	/nfs/dbraw/zinc/43/84/91/581438491.db2.gz	UDPAVHBLZUCLJO-UHFFFAOYSA-N	-1	0	264.241	0.155	20	10		CCCDRM
O=C([O-])NCCOCC(=O)NCc1ccccc1O	ZINC000740664843	581540200	/nfs/dbraw/zinc/54/02/00/581540200.db2.gz	MLXLOTLOVGHFRD-UHFFFAOYSA-N	-1	0	268.269	0.293	20	10		CCCDRM
COc1ccc(O)c(CNC(=O)COCCNC(=O)[O-])c1	ZINC000739928839	581635651	/nfs/dbraw/zinc/63/56/51/581635651.db2.gz	CRUZEBQUAVUGEP-UHFFFAOYSA-N	-1	0	298.295	0.301	20	10		CCCDRM
O=C([O-])[C@@H]1C[C@@H]1C(=O)NCc1ccc(O)c(O)c1	ZINC000833178639	604918260	/nfs/dbraw/zinc/91/82/60/604918260.db2.gz	HQDFYFSKJIQOGR-JGVFFNPUSA-N	-1	0	251.238	0.435	20	10		CCCDRM
CCO[N-]C(=O)C[NH2+]Cc1ccc(F)c(F)c1[O-]	ZINC000877614562	615374587	/nfs/dbraw/zinc/37/45/87/615374587.db2.gz	ZTUBICWCFNAZES-UHFFFAOYSA-N	-1	0	260.240	0.828	20	10		CCCDRM
CN(CCS(N)(=O)=O)Cc1cc(F)cc(F)c1[O-]	ZINC000895477433	616121700	/nfs/dbraw/zinc/12/17/00/616121700.db2.gz	USUWPCOKLSYVFM-UHFFFAOYSA-N	-1	0	280.296	0.391	20	10		CCCDRM
COC(=O)C1(O)CN(Cc2cccc(Cl)c2[O-])C1	ZINC000877769123	616385698	/nfs/dbraw/zinc/38/56/98/616385698.db2.gz	WELBYDGBSHYNEO-UHFFFAOYSA-N	-1	0	271.700	0.765	20	10		CCCDRM
COCC(=O)NC[C@H](NC(=O)[O-])c1ccc(N(C)C)cc1	ZINC000828885893	616700962	/nfs/dbraw/zinc/70/09/62/616700962.db2.gz	PTACGORBCULCII-LBPRGKRZSA-N	-1	0	295.339	0.824	20	10		CCCDRM
COC(=O)[C@](C)(CO)NCc1cc(F)cc(F)c1[O-]	ZINC000894971725	616747871	/nfs/dbraw/zinc/74/78/71/616747871.db2.gz	FXNGAMQCINDSGO-LBPRGKRZSA-N	-1	0	275.251	0.684	20	10		CCCDRM
CO[N-]C(=O)C[NH2+]Cc1cc(Cl)c(F)cc1[O-]	ZINC000896927663	617117607	/nfs/dbraw/zinc/11/76/07/617117607.db2.gz	SVXIPSCYOCZKGD-UHFFFAOYSA-N	-1	0	262.668	0.952	20	10		CCCDRM
Cn1cnc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)c1	ZINC000800793272	640621153	/nfs/dbraw/zinc/62/11/53/640621153.db2.gz	JEKMDISLZTWHRR-KPKJPENVSA-N	-1	0	268.276	0.882	20	10		CCCDRM
C[C@H](C(=O)[O-])C(=O)NCc1ccc(N2CCOCC2)cc1	ZINC000842555278	642910299	/nfs/dbraw/zinc/91/02/99/642910299.db2.gz	QYRGYDKZRKUTML-NSHDSACASA-N	-1	0	292.335	0.860	20	10		CCCDRM
CCN1CCN(Cc2cc(C(=O)[O-])ccc2O)CC1=O	ZINC001231566110	805818888	/nfs/dbraw/zinc/81/88/88/805818888.db2.gz	RBBFDQLYYGWIGN-UHFFFAOYSA-N	-1	0	278.308	0.755	20	10		CCCDRM
C[C@@H]1C(=O)NCCN1Cc1c(F)ccc(F)c1[O-]	ZINC001139683315	799830391	/nfs/dbraw/zinc/83/03/91/799830391.db2.gz	HFJURMLRPRKNQG-SSDOTTSWSA-N	-1	0	256.252	0.991	20	10		CCCDRM
O=C(N[C@H]1SC(=O)[N-]C1=O)c1cccc(O)c1O	ZINC001148220184	840766848	/nfs/dbraw/zinc/76/68/48/840766848.db2.gz	WOWUKIVSNINMDE-VIFPVBQESA-N	-1	0	268.250	0.137	20	10		CCCDRM
O=C(CCc1ccc(O)c(O)c1)N[C@H]1SC(=O)[N-]C1=O	ZINC001182155620	843738164	/nfs/dbraw/zinc/73/81/64/843738164.db2.gz	JXIWFTPZZCKYGM-NSHDSACASA-N	-1	0	296.304	0.456	20	10		CCCDRM
Nc1c(=O)c(=O)c1NC(=O)c1cc(O)c([O-])c(Cl)c1	ZINC001193589642	846113842	/nfs/dbraw/zinc/11/38/42/846113842.db2.gz	NNMZLQTVDVOYGY-UHFFFAOYSA-N	-1	0	282.639	0.182	20	10		CCCDRM
CCNC(=O)CN(C)C(=O)c1cc(O)c([O-])c(Cl)c1	ZINC001193589331	846113995	/nfs/dbraw/zinc/11/39/95/846113995.db2.gz	JCWXLMDBEXEJFE-UHFFFAOYSA-N	-1	0	286.715	0.959	20	10		CCCDRM
O=C(NC[C@H]1CCC(=O)N1)c1cc(O)c([O-])c(Cl)c1	ZINC001193625851	846127962	/nfs/dbraw/zinc/12/79/62/846127962.db2.gz	MYSHXVBKAAKCQR-SSDOTTSWSA-N	-1	0	284.699	0.760	20	10		CCCDRM
O=C([O-])C(=O)NCc1cccc(Br)c1O	ZINC000390000757	854016551	/nfs/dbraw/zinc/01/65/51/854016551.db2.gz	SRJBISJLHJOSDO-UHFFFAOYSA-N	-1	0	274.070	0.856	20	10		CCCDRM
CNC(=O)[C@@H]1CN(Cc2cc(F)cc(F)c2[O-])CCO1	ZINC001350316770	925168346	/nfs/dbraw/zinc/16/83/46/925168346.db2.gz	PLBCNSNOKJIDOW-NSHDSACASA-N	-1	0	286.278	0.617	20	10		CCCDRM
O=C([O-])[C@]1(NC(=O)C2=CC(=O)CS2)CCOC1	ZINC001601430933	970995398	/nfs/dbraw/zinc/99/53/98/970995398.db2.gz	UCRLNXCVLSCNGM-JTQLQIEISA-N	-1	0	257.267	0.427	20	10		CCCDRM
O=C([O-])C1=NO[C@H](C(=O)NCc2cc(Cl)ccc2O)C1	ZINC001594890529	954517540	/nfs/dbraw/zinc/51/75/40/954517540.db2.gz	IUSBSHBGCZATAG-JTQLQIEISA-N	-1	0	298.682	0.891	20	10		CCCDRM
CN(C)c1ccc(OC[C@@H]2CNC(=O)O2)cc1C(=O)[O-]	ZINC001598328719	991355431	/nfs/dbraw/zinc/35/54/31/991355431.db2.gz	ZHUOXENFFSHHPO-VIFPVBQESA-N	-1	0	280.280	0.938	20	10		CCCDRM
CN(C)c1ccc2c(c1)OCCN2Cc1nc(=O)[nH][nH]1	ZINC000271745735	353034633	/nfs/dbraw/zinc/03/46/33/353034633.db2.gz	XKEXCABKMFYAAZ-UHFFFAOYSA-N	-1	0	275.312	0.563	20	10		CCCDRM
CN(C)c1ccc(CNC(=O)NCC(=O)[O-])cc1	ZINC000780350017	581225728	/nfs/dbraw/zinc/22/57/28/581225728.db2.gz	MGTIHFZBNLTKFS-UHFFFAOYSA-N	-1	0	251.286	0.636	20	10		CCCDRM
COc1cccc(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])c1O	ZINC000738097315	581358328	/nfs/dbraw/zinc/35/83/28/581358328.db2.gz	OMQRORDDWSTQJN-RKDXNWHRSA-N	-1	0	265.265	0.738	20	10		CCCDRM
O=C(NCc1ccc(N2CCCC2)cc1)c1cc(=O)[nH][n-]1	ZINC000731869851	581785010	/nfs/dbraw/zinc/78/50/10/581785010.db2.gz	XDHUARISVYLMEA-UHFFFAOYSA-N	-1	0	286.335	0.779	20	10		CCCDRM
Cc1nnc(CNC(=O)C2=CC(=O)CS2)n1C	ZINC000733364552	581903249	/nfs/dbraw/zinc/90/32/49/581903249.db2.gz	KUVXMLJHYZOUJZ-UHFFFAOYSA-N	-1	0	252.299	0.821	20	10		CCCDRM
CCn1nccc1C(=O)Nc1nnc(C2=S=CC=C2)[n-]1	ZINC000775831361	582041784	/nfs/dbraw/zinc/04/17/84/582041784.db2.gz	QZXBFQRLFXSNFI-UHFFFAOYSA-N	-1	0	288.336	0.899	20	10		CCCDRM
COc1ccc(O)c(CN2CCOC[C@H]2C(=O)[O-])c1	ZINC000088382276	605241891	/nfs/dbraw/zinc/24/18/91/605241891.db2.gz	XIFNSOYPJVULDV-NSHDSACASA-N	-1	0	267.281	0.686	20	10		CCCDRM
COc1ccc(N(C)CC(=O)NCC(=O)[O-])cc1	ZINC000844838762	617267122	/nfs/dbraw/zinc/26/71/22/617267122.db2.gz	RDLGPHDEJZPKBA-UHFFFAOYSA-N	-1	0	252.270	0.332	20	10		CCCDRM
CN(CC(=O)NCCc1ccc(O)c(O)c1)C(=O)[O-]	ZINC000828108881	616047399	/nfs/dbraw/zinc/04/73/99/616047399.db2.gz	WQEVAFWKPUXNDA-UHFFFAOYSA-N	-1	0	268.269	0.366	20	10		CCCDRM
NC(=O)[C@@H]1C[C@@H](O)CN1Cc1cc(Cl)cc(F)c1[O-]	ZINC000895367591	632068861	/nfs/dbraw/zinc/06/88/61/632068861.db2.gz	FOOJFKVKAJDTQY-SCZZXKLOSA-N	-1	0	288.706	0.605	20	10		CCCDRM
C[C@@H](O)C(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O	ZINC000911359553	636235981	/nfs/dbraw/zinc/23/59/81/636235981.db2.gz	AHOHNGPYAAYVFP-SSDOTTSWSA-N	-1	0	287.699	0.840	20	10		CCCDRM
COC(=O)c1cnc(Sc2c(C)[n-][nH]c2=O)s1	ZINC000917779072	637987659	/nfs/dbraw/zinc/98/76/59/637987659.db2.gz	XIUBQDAXQSNFAH-LURJTMIESA-N	-1	0	271.323	0.896	20	10		CCCDRM
[O-]c1ccc(Cl)c(F)c1CN1C[C@H](O)[C@@H](O)C1	ZINC000862445789	645000596	/nfs/dbraw/zinc/00/05/96/645000596.db2.gz	DCGGPJNVFWFXTN-UWVGGRQHSA-N	-1	0	261.680	0.722	20	10		CCCDRM
C[N@@H+](Cc1cc(F)cc(Cl)c1[O-])C[C@@H](O)CO	ZINC001237801794	806718622	/nfs/dbraw/zinc/71/86/22/806718622.db2.gz	WNLXESQREADDNH-SECBINFHSA-N	-1	0	263.696	0.970	20	10		CCCDRM
O=C1CN(Cc2c(F)ccc(F)c2[O-])CCCN1	ZINC001139685516	799830400	/nfs/dbraw/zinc/83/04/00/799830400.db2.gz	MILMZQGYRXQICH-UHFFFAOYSA-N	-1	0	256.252	0.992	20	10		CCCDRM
Cn1[n-]c(C(=O)NCC(=O)c2ccc(O)c(O)c2)cc1=O	ZINC001194212749	846243221	/nfs/dbraw/zinc/24/32/21/846243221.db2.gz	XIAMSUPGFUPMEC-UHFFFAOYSA-N	-1	0	291.263	0.150	20	10		CCCDRM
CN(CCC(=O)[O-])C(=O)C(=O)N(C)Cc1ccccc1O	ZINC001610920735	970791236	/nfs/dbraw/zinc/79/12/36/970791236.db2.gz	WGNIJZRVFRVCCO-UHFFFAOYSA-N	-1	0	294.307	0.284	20	10		CCCDRM
O=C([O-])COCCNC(=O)NCc1ccccc1O	ZINC001595114098	951934110	/nfs/dbraw/zinc/93/41/10/951934110.db2.gz	ZXWVDPJPWHIWBE-UHFFFAOYSA-N	-1	0	268.269	0.293	20	10		CCCDRM
O=C([O-])[C@@H]1CC[C@H]1C(=O)NCc1c(O)cccc1O	ZINC001595181705	952252917	/nfs/dbraw/zinc/25/29/17/952252917.db2.gz	RUUPZSWQDJYQPS-HTQZYQBOSA-N	-1	0	265.265	0.825	20	10		CCCDRM
CN(Cc1ccccc1O)C(=O)c1cn(CC(=O)[O-])nn1	ZINC001593760558	954483267	/nfs/dbraw/zinc/48/32/67/954483267.db2.gz	CJPVPDNTGLTTPN-UHFFFAOYSA-N	-1	0	290.279	0.341	20	10		CCCDRM
Cn1nc(C(=O)[O-])cc1C(=O)NCc1cccc(O)c1O	ZINC001594567748	955853385	/nfs/dbraw/zinc/85/33/85/955853385.db2.gz	FXVIHWASLMDPFP-UHFFFAOYSA-N	-1	0	291.263	0.460	20	10		CCCDRM
O=C([O-])c1cnc(C(=O)NCc2c(O)cccc2F)cn1	ZINC001574818625	957897092	/nfs/dbraw/zinc/89/70/92/957897092.db2.gz	QOZWPZPTDWGITE-UHFFFAOYSA-N	-1	0	291.238	0.950	20	10		CCCDRM
CN(Cc1ccccc1O)C(=O)[C@@]1(C(=O)[O-])CCCO1	ZINC001604189787	972623013	/nfs/dbraw/zinc/62/30/13/972623013.db2.gz	JJXIBJZHTNVWLB-CQSZACIVSA-N	-1	0	279.292	0.984	20	10		CCCDRM
O=C([O-])[C@@H]1CC[C@H]1C(=O)NCCc1ccc(O)c(O)c1	ZINC001606407791	973860093	/nfs/dbraw/zinc/86/00/93/973860093.db2.gz	PKRBHXJNHLCZGD-NXEZZACHSA-N	-1	0	279.292	0.867	20	10		CCCDRM
C[C@](CO)(NC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)[O-]	ZINC001592741235	979275446	/nfs/dbraw/zinc/27/54/46/979275446.db2.gz	FQNAFGNPVRSOTG-MASHWEEQSA-N	-1	0	281.264	0.063	20	10		CCCDRM
CCc1cccc(CN2CC(O)(C(=O)[O-])C2)c1O	ZINC001597586768	988406417	/nfs/dbraw/zinc/40/64/17/988406417.db2.gz	JSHQNTOKAMVCFX-UHFFFAOYSA-N	-1	0	251.282	0.586	20	10		CCCDRM
CN(C(=O)Cc1ccc(O)c(O)c1)[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001598036884	990264624	/nfs/dbraw/zinc/26/46/24/990264624.db2.gz	RSGCEQPRDSZBMU-AOOOYVTPSA-N	-1	0	279.292	0.962	20	10		CCCDRM
COc1ccc(O)c(CNC(=O)NC[C@H]2C[C@H]2C(=O)[O-])c1	ZINC001599598274	993778351	/nfs/dbraw/zinc/77/83/51/993778351.db2.gz	KGBRNSBCUKERDH-LDYMZIIASA-N	-1	0	294.307	0.921	20	10		CCCDRM
COCCS(=O)(=O)Nc1ccc([O-])c([N+](=O)[O-])c1	ZINC000274785080	521768011	/nfs/dbraw/zinc/76/80/11/521768011.db2.gz	LIOIVDJPSKPIJH-UHFFFAOYSA-N	-1	0	276.270	0.689	20	10		CCCDRM
COc1ccc(O)c(CNC(=O)CNC(=O)[O-])c1	ZINC000738043764	581242451	/nfs/dbraw/zinc/24/24/51/581242451.db2.gz	GSSABZKNPNHIMC-UHFFFAOYSA-N	-1	0	254.242	0.285	20	10		CCCDRM
COc1cccc(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])c1O	ZINC000738097312	581358098	/nfs/dbraw/zinc/35/80/98/581358098.db2.gz	OMQRORDDWSTQJN-DTWKUNHWSA-N	-1	0	265.265	0.738	20	10		CCCDRM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1cn[nH]c1	ZINC000751536558	582084713	/nfs/dbraw/zinc/08/47/13/582084713.db2.gz	VSTCSSJYFLFQLD-IZZDOVSWSA-N	-1	0	254.249	0.871	20	10		CCCDRM
O=C([O-])N1CCN(Cc2cc3c(cc2O)OC[C@H]3O)CC1	ZINC000834112713	605500568	/nfs/dbraw/zinc/50/05/68/605500568.db2.gz	HSVKIQVEFPRRSB-GFCCVEGCSA-N	-1	0	294.307	0.614	20	10		CCCDRM
COc1cc([N-]S(=O)(=O)c2ccn(C)n2)ccc1O	ZINC000797820432	617207455	/nfs/dbraw/zinc/20/74/55/617207455.db2.gz	XNYCQWNMZSLNKL-UHFFFAOYSA-N	-1	0	283.309	0.935	20	10		CCCDRM
COc1ccc(N(C)[C@@H]2CCN(CC(=O)[O-])C2=O)cc1	ZINC000852730128	617267209	/nfs/dbraw/zinc/26/72/09/617267209.db2.gz	NZIMUUGSLWFEHI-GFCCVEGCSA-N	-1	0	278.308	0.817	20	10		CCCDRM
CCOC(=O)NCC(=O)NCc1c(O)cccc1F	ZINC000928712791	615244263	/nfs/dbraw/zinc/24/42/63/615244263.db2.gz	ZDLPNMNGWDVMCW-UHFFFAOYSA-N	-1	0	270.260	0.894	20	10		CCCDRM
CC[C@H](NC(=O)c1ccc(C)c(O)c1O)C(=O)[O-]	ZINC000833643237	615811425	/nfs/dbraw/zinc/81/14/25/615811425.db2.gz	PKDVWDNIPSEYNH-QMMMGPOBSA-N	-1	0	253.254	0.999	20	10		CCCDRM
CN(Cc1cnnn1C)c1ccc(OCC(=O)[O-])cc1	ZINC000846280211	616098547	/nfs/dbraw/zinc/09/85/47/616098547.db2.gz	VETNQHQILGNMHE-UHFFFAOYSA-N	-1	0	276.296	0.915	20	10		CCCDRM
CNC(=O)CN(CC(=O)[O-])c1ccc(OC)cc1	ZINC000146682844	616593796	/nfs/dbraw/zinc/59/37/96/616593796.db2.gz	RQJKQUGCTWAYOG-UHFFFAOYSA-N	-1	0	252.270	0.332	20	10		CCCDRM
CO[N-]C(=O)CNC(=O)N(C)Cc1ccc(N(C)C)cc1	ZINC000927207517	617111111	/nfs/dbraw/zinc/11/11/11/617111111.db2.gz	UMLKEBVHSLNLQN-UHFFFAOYSA-N	-1	0	294.355	0.572	20	10		CCCDRM
COc1ccc(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])c(O)c1	ZINC000911717416	636349826	/nfs/dbraw/zinc/34/98/26/636349826.db2.gz	IGQDPAYVHPIHRD-ZJUUUORDSA-N	-1	0	265.265	0.738	20	10		CCCDRM
COC(=O)c1sc(C(=O)OC)c(OC2COC2)c1[O-]	ZINC001227620019	805372380	/nfs/dbraw/zinc/37/23/80/805372380.db2.gz	BMWWUJABCWFXIT-UHFFFAOYSA-N	-1	0	288.277	0.805	20	10		CCCDRM
O=C(CNC(=O)c1ccncn1)c1ccc(O)c(O)c1	ZINC001148177014	840756010	/nfs/dbraw/zinc/75/60/10/840756010.db2.gz	KPCAYIGLBPQUIV-UHFFFAOYSA-N	-1	0	273.248	0.501	20	10		CCCDRM
O=C(NC[C@@H](O)CF)c1cc(O)c([O-])c(Cl)c1	ZINC001193634687	846131484	/nfs/dbraw/zinc/13/14/84/846131484.db2.gz	GMHPUVWIOKCEIT-LURJTMIESA-N	-1	0	263.652	0.811	20	10		CCCDRM
O=C(c1cc(O)c([O-])c(Cl)c1)N1C[C@H](O)C[C@@H]1CO	ZINC001193633656	846131844	/nfs/dbraw/zinc/13/18/44/846131844.db2.gz	DBQFQJWRYCNMSK-HTQZYQBOSA-N	-1	0	287.699	0.319	20	10		CCCDRM
O=C([O-])COCC(=O)NCc1cc(Cl)ccc1O	ZINC001334218291	919435428	/nfs/dbraw/zinc/43/54/28/919435428.db2.gz	WFTOQRAHXMGPSD-UHFFFAOYSA-N	-1	0	273.672	0.763	20	10		CCCDRM
O=C1CN(Cc2cc(F)cc(F)c2[O-])CCCN1	ZINC001353581751	925876853	/nfs/dbraw/zinc/87/68/53/925876853.db2.gz	OOAVUETZHYLLKD-UHFFFAOYSA-N	-1	0	256.252	0.992	20	10		CCCDRM
CC(C)(C(=O)[O-])C(=O)NCc1ccc(O)cc1O	ZINC001602836959	971665162	/nfs/dbraw/zinc/66/51/62/971665162.db2.gz	YJSSGQNMLFXDDS-UHFFFAOYSA-N	-1	0	253.254	0.825	20	10		CCCDRM
O=C([O-])CCCC(=O)NCc1cc(O)ccc1O	ZINC001595025177	951341146	/nfs/dbraw/zinc/34/11/46/951341146.db2.gz	MWLKSRSFYNDBKE-UHFFFAOYSA-N	-1	0	253.254	0.969	20	10		CCCDRM
Cc1ccc(CN2CCS(=O)(=O)C[C@@H]2C(=O)[O-])c(O)c1	ZINC001594358560	958425502	/nfs/dbraw/zinc/42/55/02/958425502.db2.gz	INVGDCXJZYCMQI-LLVKDONJSA-N	-1	0	299.348	0.384	20	10		CCCDRM
O=C([O-])[C@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C1	ZINC001574655619	962453740	/nfs/dbraw/zinc/45/37/40/962453740.db2.gz	CEXHZBBFTJGOAJ-VIFPVBQESA-N	-1	0	265.265	0.573	20	10		CCCDRM
C[C@@H]1C[C@H](C(=O)NCc2c(O)cccc2O)O[C@H]1C(=O)[O-]	ZINC001599875432	989411990	/nfs/dbraw/zinc/41/19/90/989411990.db2.gz	YILQJDVYJSWXGG-NZXMKCKXSA-N	-1	0	295.291	0.592	20	10		CCCDRM
COC[C@H]([NH2+]Cc1cc(F)c(F)cc1[O-])C(=O)[O-]	ZINC001599176909	996864820	/nfs/dbraw/zinc/86/48/20/996864820.db2.gz	JBBUETAFQRZLQH-VIFPVBQESA-N	-1	0	261.224	0.860	20	10		CCCDRM
CO[C@@H]1CN(C(=O)Cc2ccc(N)cc2)[C@@](C)(C(=O)[O-])C1	ZINC001599133937	998003896	/nfs/dbraw/zinc/00/38/96/998003896.db2.gz	MZKXJEPFVCYCFK-SWLSCSKDSA-N	-1	0	292.335	0.902	20	10		CCCDRM
Cc1ccc(C(=O)N[C@@H](C)CC(=O)[O-])c(O)c1O	ZINC001594346316	999312152	/nfs/dbraw/zinc/31/21/52/999312152.db2.gz	NDYVYVLUDJYXDP-ZETCQYMHSA-N	-1	0	253.254	0.999	20	10		CCCDRM
CO[C@@H](C)CS(=O)(=O)Nc1ccc(O)c(C(=O)[O-])c1	ZINC000282269534	353408963	/nfs/dbraw/zinc/40/89/63/353408963.db2.gz	SYSHVSDPBNXZRX-ZETCQYMHSA-N	-1	0	289.309	0.867	20	10		CCCDRM
CNC(=O)[C@H]1CN(Cc2cccc(Cl)c2[O-])CCO1	ZINC000182477688	389709428	/nfs/dbraw/zinc/70/94/28/389709428.db2.gz	XLQQHOHMGXWPRA-LLVKDONJSA-N	-1	0	284.743	0.992	20	10		CCCDRM
O=C([O-])/C=C/c1ccc(N2CCNC(=O)C2)c([N+](=O)[O-])c1	ZINC000020305735	134725674	/nfs/dbraw/zinc/72/56/74/134725674.db2.gz	JNJNIUIWQHFGND-DUXPYHPUSA-N	-1	0	291.263	0.629	20	10		CCCDRM
COc1cccc(CNC(=O)CCC(=O)[O-])c1O	ZINC000008020912	170314211	/nfs/dbraw/zinc/31/42/11/170314211.db2.gz	XYLBEUVQVNPYQR-UHFFFAOYSA-N	-1	0	253.254	0.882	20	10		CCCDRM
C[C@@]1(NC(=O)c2cccc(O)c2O)CCS(=O)(=O)C1	ZINC000126358076	260351150	/nfs/dbraw/zinc/35/11/50/260351150.db2.gz	ZQPVCXVPMIEDIQ-GFCCVEGCSA-N	-1	0	285.321	0.405	20	10		CCCDRM
O=C(c1cccc(O)c1O)N1CC[C@H](n2cncn2)C1	ZINC000790947362	581203001	/nfs/dbraw/zinc/20/30/01/581203001.db2.gz	ZMACQNSUMBLOCE-VIFPVBQESA-N	-1	0	274.280	0.777	20	10		CCCDRM
O=C1N[C@@H](c2cc([N+](=O)[O-])ccc2[O-])N2CCSC[C@@H]12	ZINC000765519431	581523835	/nfs/dbraw/zinc/52/38/35/581523835.db2.gz	YQCVHUBGKWLSOE-GXSJLCMTSA-N	-1	0	295.320	0.846	20	10		CCCDRM
O=C([O-])CCNC(=O)/C=C\c1ccc(O)c(O)c1	ZINC000116518111	598220231	/nfs/dbraw/zinc/22/02/31/598220231.db2.gz	WPBOFJOMOJATDP-RQOWECAXSA-N	-1	0	251.238	0.702	20	10		CCCDRM
COc1cc(O)c(CN2CCOC[C@@H]2C(=O)[O-])cc1OC	ZINC000833728720	605243006	/nfs/dbraw/zinc/24/30/06/605243006.db2.gz	KDSPGUQJBNPUIS-SNVBAGLBSA-N	-1	0	297.307	0.695	20	10		CCCDRM
COc1ccc(N(C)CC(=O)NCCC(=O)[O-])cc1F	ZINC000832378944	617267229	/nfs/dbraw/zinc/26/72/29/617267229.db2.gz	XZXOOEJVVOEDFC-UHFFFAOYSA-N	-1	0	284.287	0.861	20	10		CCCDRM
COc1ccc(N2CC[C@@H](CN=c3nn[n-]n3C)C2)cc1	ZINC000819937137	617267952	/nfs/dbraw/zinc/26/79/52/617267952.db2.gz	ZYPGLVRYZIIORR-NSHDSACASA-N	-1	0	288.355	0.579	20	10		CCCDRM
COc1cccc(CNC(=O)C2(C(=O)[O-])CC2)c1O	ZINC000911337209	617298031	/nfs/dbraw/zinc/29/80/31/617298031.db2.gz	PVAFAFIJLKCIPX-UHFFFAOYSA-N	-1	0	265.265	0.882	20	10		CCCDRM
CCOC[C@@H](O)CN(C)c1ccc(OCC(=O)[O-])cc1	ZINC000846279400	615306443	/nfs/dbraw/zinc/30/64/43/615306443.db2.gz	CCGNVCWMDVEFFU-LBPRGKRZSA-N	-1	0	283.324	0.984	20	10		CCCDRM
O=C([O-])C1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1	ZINC000071173494	638542777	/nfs/dbraw/zinc/54/27/77/638542777.db2.gz	XIKOKQLTTZFIPG-UHFFFAOYSA-N	-1	0	293.235	0.447	20	10		CCCDRM
COCCCS(=O)(=O)Nc1ccc(O)c(C(=O)[O-])c1	ZINC000071234314	638544568	/nfs/dbraw/zinc/54/45/68/638544568.db2.gz	DUBTYHAFEJPWCU-UHFFFAOYSA-N	-1	0	289.309	0.869	20	10		CCCDRM
CC(=O)c1cc(O)c(O)cc1OC(=O)[C@H](O)CC(=O)[O-]	ZINC001234474225	806256267	/nfs/dbraw/zinc/25/62/67/806256267.db2.gz	PCNBBLOTEVIPCH-SECBINFHSA-N	-1	0	284.220	0.041	20	10		CCCDRM
O=C1CN(C2CN(Cc3c([O-])cc(F)cc3F)C2)CCN1	ZINC001140583598	799922716	/nfs/dbraw/zinc/92/27/16/799922716.db2.gz	NAARPGOOYYZXJH-UHFFFAOYSA-N	-1	0	297.305	0.286	20	10		CCCDRM
CN(C)c1ccc(/C=C/C(=O)N[C@@H]2CO[N-]C2=O)cc1	ZINC001180129982	843104700	/nfs/dbraw/zinc/10/47/00/843104700.db2.gz	PNIUSXCIGSOJEG-FZKGZDJFSA-N	-1	0	275.308	0.312	20	10		CCCDRM
Cc1noc(CNC(=O)c2c(F)ccc(O)c2O)n1	ZINC001182637534	843871205	/nfs/dbraw/zinc/87/12/05/843871205.db2.gz	REZXWALWFCLDKY-UHFFFAOYSA-N	-1	0	267.216	0.858	20	10		CCCDRM
COC(=O)c1cc([N-]S(=O)(=O)c2c[nH]cn2)ccc1O	ZINC001187760722	844766895	/nfs/dbraw/zinc/76/68/95/844766895.db2.gz	FQRNFHRUYGUJDG-UHFFFAOYSA-N	-1	0	297.292	0.703	20	10		CCCDRM
O=S(=O)(NCc1ccc(O)c(O)c1)c1ncc[n-]1	ZINC001190749069	845490103	/nfs/dbraw/zinc/49/01/03/845490103.db2.gz	QJKUGXIEASNCNQ-UHFFFAOYSA-N	-1	0	269.282	0.299	20	10		CCCDRM
O=C(NC1=CCOC1=O)c1cc(O)c([O-])c(Cl)c1	ZINC001193635232	846131878	/nfs/dbraw/zinc/13/18/78/846131878.db2.gz	QSYNVJKDHUFNSB-UHFFFAOYSA-N	-1	0	269.640	0.922	20	10		CCCDRM
COc1cc([N-]S(=O)(=O)c2nccn2C)ccc1O	ZINC001193599854	846136478	/nfs/dbraw/zinc/13/64/78/846136478.db2.gz	IRSQLEQZQAYESX-UHFFFAOYSA-N	-1	0	283.309	0.935	20	10		CCCDRM
O=C([O-])COCCOCC[NH2+]Cc1cccc(F)c1[O-]	ZINC001336116608	920615169	/nfs/dbraw/zinc/61/51/69/920615169.db2.gz	HGDQYFDQWIFXGD-UHFFFAOYSA-N	-1	0	287.287	0.739	20	10		CCCDRM
CNC(=O)[C@H]1CN(Cc2cc(F)cc(F)c2[O-])CCO1	ZINC001350316769	925168518	/nfs/dbraw/zinc/16/85/18/925168518.db2.gz	PLBCNSNOKJIDOW-LLVKDONJSA-N	-1	0	286.278	0.617	20	10		CCCDRM
CN(CCC(=O)[O-])C(=O)c1c(F)ccc(O)c1O	ZINC001610930626	970793424	/nfs/dbraw/zinc/79/34/24/970793424.db2.gz	LLBXFCGYPDIQGE-UHFFFAOYSA-N	-1	0	257.217	0.784	20	10		CCCDRM
Cc1cccc(CN2CCS(=O)(=O)C[C@H]2C(=O)[O-])c1O	ZINC001611199034	970933511	/nfs/dbraw/zinc/93/35/11/970933511.db2.gz	SATRMSBLZDEJBS-NSHDSACASA-N	-1	0	299.348	0.384	20	10		CCCDRM
O=C([O-])c1cc(C(=O)NCc2cc(O)ccc2O)[nH]n1	ZINC001594767948	953538471	/nfs/dbraw/zinc/53/84/71/953538471.db2.gz	QDGVGVYLSSTOMT-UHFFFAOYSA-N	-1	0	277.236	0.449	20	10		CCCDRM
O=C([O-])C1(C(=O)NCc2ccc(O)c(O)c2)CCOCC1	ZINC001594863689	954302842	/nfs/dbraw/zinc/30/28/42/954302842.db2.gz	UBAMXBCWAXBMFU-UHFFFAOYSA-N	-1	0	295.291	0.595	20	10		CCCDRM
Cc1ccc(O)c(CN2CCNC(=O)[C@H]2CC(=O)[O-])c1	ZINC000086815666	957997789	/nfs/dbraw/zinc/99/77/89/957997789.db2.gz	DVNWQJARGCJXKW-LLVKDONJSA-N	-1	0	278.308	0.476	20	10		CCCDRM
O=C([O-])c1c[nH]nc1S(=O)(=O)NCc1ccccc1O	ZINC000228403214	960012863	/nfs/dbraw/zinc/01/28/63/960012863.db2.gz	IXWDXICQAYTMDM-UHFFFAOYSA-N	-1	0	297.292	0.292	20	10		CCCDRM
CC(C)[C@@H](NC(=O)Cc1ccc(O)c(O)c1)C(=O)[O-]	ZINC001588946429	962556944	/nfs/dbraw/zinc/55/69/44/962556944.db2.gz	GKKIRWQGTIWVKL-GFCCVEGCSA-N	-1	0	267.281	0.866	20	10		CCCDRM
O=C([O-])c1n[nH]cc1NC(=O)c1cccc(O)c1O	ZINC001594799502	970264299	/nfs/dbraw/zinc/26/42/99/970264299.db2.gz	VYGKEPFFLZZBSZ-UHFFFAOYSA-N	-1	0	263.209	0.771	20	10		CCCDRM
O=C([O-])CN(C(=O)c1cccc(O)c1O)C1CCOCC1	ZINC001606221078	973476566	/nfs/dbraw/zinc/47/65/66/973476566.db2.gz	VFLMRWNWPMUUTD-UHFFFAOYSA-N	-1	0	295.291	0.804	20	10		CCCDRM
CC(=O)C(=O)COC(=O)[C@]1(C(=O)[O-])C[C@@H]1c1ccccc1	ZINC001589021040	985010633	/nfs/dbraw/zinc/01/06/33/985010633.db2.gz	JTEMAQZRFBBWQQ-IAQYHMDHSA-N	-1	0	290.271	0.946	20	10		CCCDRM
CON(C(=O)c1cccc(O)c1O)[C@@H](C)CC(=O)[O-]	ZINC001599311939	997431512	/nfs/dbraw/zinc/43/15/12/997431512.db2.gz	PJTFBEFCKMBHEB-ZETCQYMHSA-N	-1	0	269.253	0.965	20	10		CCCDRM
COC[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)[O-]	ZINC001599168338	998575507	/nfs/dbraw/zinc/57/55/07/998575507.db2.gz	YCEOTERLNNYOGW-HYYFJVDXSA-N	-1	0	281.264	0.327	20	10		CCCDRM
CCN(C)C(=O)[C@@H](C)NC(=O)c1c(F)ccc(O)c1O	ZINC000295538213	353902220	/nfs/dbraw/zinc/90/22/20/353902220.db2.gz	VYOOWOLKEHWVIP-SSDOTTSWSA-N	-1	0	284.287	0.834	20	10		CCCDRM
O=C(c1cccc(O)c1O)N1CC(n2ccnn2)C1	ZINC000365756613	357170280	/nfs/dbraw/zinc/17/02/80/357170280.db2.gz	GFUYXKDFLQAFBV-UHFFFAOYSA-N	-1	0	260.253	0.386	20	10		CCCDRM
COC[C@@H](C)S(=O)(=O)Nc1ccc(O)cc1C(=O)[O-]	ZINC000274921738	522268516	/nfs/dbraw/zinc/26/85/16/522268516.db2.gz	NCAKNCPGZMUZHN-SSDOTTSWSA-N	-1	0	289.309	0.867	20	10		CCCDRM
CN1CCCc2cc(CNC(=O)CNC(=O)[O-])ccc21	ZINC000285849778	523858470	/nfs/dbraw/zinc/85/84/70/523858470.db2.gz	YZVPQZTYWCXYKS-UHFFFAOYSA-N	-1	0	277.324	0.953	20	10		CCCDRM
CN(C)c1ccc(CNC(=O)N(C)CC(=O)[O-])cc1	ZINC000780349106	581225249	/nfs/dbraw/zinc/22/52/49/581225249.db2.gz	DRAQMTGPTYZFQI-UHFFFAOYSA-N	-1	0	265.313	0.979	20	10		CCCDRM
[O-]c1ccc(Cl)c(F)c1CN1C[C@@H](O)[C@@H](O)C1	ZINC000792164732	581250183	/nfs/dbraw/zinc/25/01/83/581250183.db2.gz	DCGGPJNVFWFXTN-AOOOYVTPSA-N	-1	0	261.680	0.722	20	10		CCCDRM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1cncnc1	ZINC000781112339	581259249	/nfs/dbraw/zinc/25/92/49/581259249.db2.gz	WRPNDVIWOKTIEX-WUXMJOGZSA-N	-1	0	266.260	0.938	20	10		CCCDRM
CN(C)c1ccc(CNC(=O)COCCNC(=O)[O-])cc1	ZINC000739616389	581582034	/nfs/dbraw/zinc/58/20/34/581582034.db2.gz	BGSRJEOSHJMBKA-UHFFFAOYSA-N	-1	0	295.339	0.653	20	10		CCCDRM
Cn1[n-]nnc1=NCc1ccc(N2CCOCC2)cc1	ZINC000730804807	581736704	/nfs/dbraw/zinc/73/67/04/581736704.db2.gz	KCVPDZQPGPDEAV-UHFFFAOYSA-N	-1	0	274.328	0.081	20	10		CCCDRM
CN(C)c1ccc(CNC(=O)c2cc(=O)[nH][n-]2)cc1F	ZINC000732279501	581815666	/nfs/dbraw/zinc/81/56/66/581815666.db2.gz	RIONCNYXYSAUKF-UHFFFAOYSA-N	-1	0	278.287	0.384	20	10		CCCDRM
O=C(C1=CC(=O)CS1)N1CCO[C@H](c2nnn[n-]2)C1	ZINC000738246652	582031615	/nfs/dbraw/zinc/03/16/15/582031615.db2.gz	HFKCFGBDUMQRIB-ZETCQYMHSA-N	-1	0	281.297	0.181	20	10		CCCDRM
CN1C(=S)N=NC1CNC(=O)c1cccc(O)c1O	ZINC000776346455	582069920	/nfs/dbraw/zinc/06/99/20/582069920.db2.gz	SOFYFWPYMUYNTP-UHFFFAOYSA-N	-1	0	280.309	0.445	20	10		CCCDRM
COc1ccc(O)c(CN2CCNC(=O)[C@@H]2CC(=O)[O-])c1	ZINC000086815822	605229306	/nfs/dbraw/zinc/22/93/06/605229306.db2.gz	OHOZSOQMHXSWHH-NSHDSACASA-N	-1	0	294.307	0.176	20	10		CCCDRM
C[C@H](NC(=O)[O-])C(=O)NCc1ccc(O)c(O)c1	ZINC000825186180	605521292	/nfs/dbraw/zinc/52/12/92/605521292.db2.gz	MECYFYLPZWCBCH-LURJTMIESA-N	-1	0	254.242	0.370	20	10		CCCDRM
O=C([O-])N1CC[C@@H](C(=O)NCc2ccc(O)c(O)c2)C1	ZINC000831715052	605522575	/nfs/dbraw/zinc/52/25/75/605522575.db2.gz	LOLRWXGXZCQAEY-SECBINFHSA-N	-1	0	280.280	0.714	20	10		CCCDRM
O=C([O-])N(CC(=O)NCCc1ccc(O)c(O)c1)C1CC1	ZINC000833998124	605707935	/nfs/dbraw/zinc/70/79/35/605707935.db2.gz	NIUNBHWQBWIEKB-UHFFFAOYSA-N	-1	0	294.307	0.899	20	10		CCCDRM
O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)NCc1ccccc1O	ZINC000831720063	605827538	/nfs/dbraw/zinc/82/75/38/605827538.db2.gz	PGPDTYUEDFHPSD-UWVGGRQHSA-N	-1	0	280.280	0.122	20	10		CCCDRM
Cc1ccc(C(=O)N2CC[C@@H](NC(=O)[O-])C2)c(O)c1O	ZINC000833904076	605837988	/nfs/dbraw/zinc/83/79/88/605837988.db2.gz	POYPHEQYSGVZES-MRVPVSSYSA-N	-1	0	280.280	0.888	20	10		CCCDRM
COCCS(=O)(=O)[N-]N=c1[nH]c2ccncc2s1	ZINC000872385093	616612243	/nfs/dbraw/zinc/61/22/43/616612243.db2.gz	SEWMRSZPUAMPKS-UHFFFAOYSA-N	-1	0	288.354	0.584	20	10		CCCDRM
Nc1ccc(CC(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1	ZINC000043705551	622689727	/nfs/dbraw/zinc/68/97/27/622689727.db2.gz	XXQVWWUIPRTHKQ-LLVKDONJSA-N	-1	0	264.281	0.123	20	10		CCCDRM
O=C1NC(=O)C2(CN(Cc3c([O-])ccc(Cl)c3F)C2)N1	ZINC000897904155	633254074	/nfs/dbraw/zinc/25/40/74/633254074.db2.gz	UJVYLJPTXGEDCU-UHFFFAOYSA-N	-1	0	299.689	0.579	20	10		CCCDRM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1ncc[nH]1	ZINC000731159113	637717152	/nfs/dbraw/zinc/71/71/52/637717152.db2.gz	MWIPHGKIPTVDFU-NTMALXAHSA-N	-1	0	254.249	0.871	20	10		CCCDRM
O=C([O-])c1ccc(O)c(CN2CCN3C(=O)OC[C@H]3C2)c1	ZINC001231565359	805817872	/nfs/dbraw/zinc/81/78/72/805817872.db2.gz	ULVGFCHFBLJUHM-LLVKDONJSA-N	-1	0	292.291	0.727	20	10		CCCDRM
Cn1nncc1NC(=O)c1cc(=O)n(-c2ccccc2)[n-]1	ZINC001147881522	840715171	/nfs/dbraw/zinc/71/51/71/840715171.db2.gz	ZDLOSWQBBZYTLC-UHFFFAOYSA-N	-1	0	284.279	0.547	20	10		CCCDRM
CN(CC1COC1)C(=O)c1cc(=O)n(-c2ccccc2)[n-]1	ZINC001147884981	840717746	/nfs/dbraw/zinc/71/77/46/840717746.db2.gz	MONJNXBRNIXXAZ-UHFFFAOYSA-N	-1	0	287.319	0.884	20	10		CCCDRM
COc1cc(O)ccc1[N-]S(=O)(=O)c1c[nH]cn1	ZINC001187762112	844767457	/nfs/dbraw/zinc/76/74/57/844767457.db2.gz	JGPQQHXUZLBTPZ-UHFFFAOYSA-N	-1	0	269.282	0.925	20	10		CCCDRM
COc1cccc(CNC(=O)CCCc2nnn[n-]2)c1O	ZINC001545684358	900470255	/nfs/dbraw/zinc/47/02/55/900470255.db2.gz	SXJSDBLFCPNZOK-UHFFFAOYSA-N	-1	0	291.311	0.553	20	10		CCCDRM
COC(=O)[C@@H](NCc1cc(F)cc(F)c1[O-])[C@@H](C)O	ZINC001331565750	917419974	/nfs/dbraw/zinc/41/99/74/917419974.db2.gz	OARIAUSOFZSORV-LDWIPMOCSA-N	-1	0	275.251	0.682	20	10		CCCDRM
O=C([O-])COCC(=O)N1Cc2cccc(O)c2C1	ZINC001595105463	951875219	/nfs/dbraw/zinc/87/52/19/951875219.db2.gz	DJSQNHWTBNHCIX-UHFFFAOYSA-N	-1	0	251.238	0.336	20	10		CCCDRM
CO[C@](C)(C(=O)[O-])C(=O)OCC(=O)c1ccc(O)c(O)c1	ZINC001593929437	956156057	/nfs/dbraw/zinc/15/60/57/956156057.db2.gz	AQNQMKNZWWQRFZ-CYBMUJFWSA-N	-1	0	298.247	0.313	20	10		CCCDRM
O=C([O-])c1cnc(C(=O)NCc2cccc(O)c2O)cn1	ZINC001574819081	957898949	/nfs/dbraw/zinc/89/89/49/957898949.db2.gz	XAUKGWFRIVAWEO-UHFFFAOYSA-N	-1	0	289.247	0.516	20	10		CCCDRM
Cc1cc(NS(=O)(=O)CCC(=O)[O-])ccc1O	ZINC000135273643	958886910	/nfs/dbraw/zinc/88/69/10/958886910.db2.gz	LZDRGEQPJDWRTH-UHFFFAOYSA-N	-1	0	259.283	0.917	20	10		CCCDRM
NC(=O)N=Nc1ccc(C(=O)NCC(=O)[O-])cc1	ZINC001574500169	961753303	/nfs/dbraw/zinc/75/33/03/961753303.db2.gz	IJNZVDCLWBTAIA-UHFFFAOYSA-N	-1	0	250.214	0.663	20	10		CCCDRM
O=C([O-])CC1(NC(=O)c2cccc(O)c2O)CC1	ZINC000398258837	973094488	/nfs/dbraw/zinc/09/44/88/973094488.db2.gz	BUNDAZPIKOQKRL-UHFFFAOYSA-N	-1	0	251.238	0.835	20	10		CCCDRM
CN(C)c1ccc(OC[C@H]2CNC(=O)C2)cc1C(=O)[O-]	ZINC001598328416	991350291	/nfs/dbraw/zinc/35/02/91/991350291.db2.gz	LDPMUFZYLMADHU-SECBINFHSA-N	-1	0	278.308	0.966	20	10		CCCDRM
COc1cccc(O)c1CN1CCOC[C@H]1C(=O)[O-]	ZINC001599680498	994973086	/nfs/dbraw/zinc/97/30/86/994973086.db2.gz	USTUVKYUQGFFFZ-JTQLQIEISA-N	-1	0	267.281	0.686	20	10		CCCDRM
COC(=O)CN(CC(=O)[O-])Cc1cc(C)cc(OC)c1O	ZINC001598861916	996681620	/nfs/dbraw/zinc/68/16/20/996681620.db2.gz	TZKZGBUWMUWXOZ-UHFFFAOYSA-N	-1	0	297.307	0.769	20	10		CCCDRM
COc1ccc(N2CCC(NC(=O)C(=O)[O-])CC2)cc1	ZINC000765028505	582083463	/nfs/dbraw/zinc/08/34/63/582083463.db2.gz	OWCYPKFDZKWNSW-UHFFFAOYSA-N	-1	0	278.308	0.865	20	10		CCCDRM
O=C([O-])N1CCO[C@H](C(=O)NCc2ccc(O)c(O)c2)C1	ZINC000834049347	605546711	/nfs/dbraw/zinc/54/67/11/605546711.db2.gz	OLSKPLSADZFWJQ-NSHDSACASA-N	-1	0	296.279	0.093	20	10		CCCDRM
COc1cccc([S@@](=O)CC(=O)OCC(=O)C(C)=O)c1	ZINC000821352469	617310496	/nfs/dbraw/zinc/31/04/96/617310496.db2.gz	KFUCNZQHMXZVBT-FQEVSTJZSA-N	-1	0	298.316	0.504	20	10		CCCDRM
CCn1[n-]nnc1=NC(=O)N(C)Cc1ccccc1O	ZINC000888343778	615910111	/nfs/dbraw/zinc/91/01/11/615910111.db2.gz	WVWVOAGEWWFJIB-UHFFFAOYSA-N	-1	0	276.300	0.484	20	10		CCCDRM
O=C([O-])c1ccc(CN2CCn3cnnc3C2)c(O)c1	ZINC001231447516	805805133	/nfs/dbraw/zinc/80/51/33/805805133.db2.gz	VXXDEVGMZJJXCQ-UHFFFAOYSA-N	-1	0	274.280	0.698	20	10		CCCDRM
C[C@H]1C(=O)NCCN1Cc1ccc(C(=O)[O-])cc1O	ZINC001231450966	805807377	/nfs/dbraw/zinc/80/73/77/805807377.db2.gz	IWKJWCXDRGNVKB-QMMMGPOBSA-N	-1	0	264.281	0.411	20	10		CCCDRM
CC(=O)N1CCN(Cc2cc(C(=O)[O-])ccc2O)CC1	ZINC001231564075	805816930	/nfs/dbraw/zinc/81/69/30/805816930.db2.gz	UUXSNGDTDZZHPM-UHFFFAOYSA-N	-1	0	278.308	0.755	20	10		CCCDRM
CCN1C(=O)CN(Cc2ccc(F)c(F)c2[O-])CC1=O	ZINC001233075743	806018257	/nfs/dbraw/zinc/01/82/57/806018257.db2.gz	BWHRVZMINXGFNY-UHFFFAOYSA-N	-1	0	284.262	0.861	20	10		CCCDRM
COC(=O)CS(=O)(=O)[N-]c1c(F)cc(O)cc1F	ZINC001259026576	808723890	/nfs/dbraw/zinc/72/38/90/808723890.db2.gz	MRBJKMMYBKRAKP-UHFFFAOYSA-N	-1	0	281.236	0.585	20	10		CCCDRM
C[C@H]1CCc2sc([N-]S(N)(=O)=O)c(C(N)=O)c2C1	ZINC001260075677	808841222	/nfs/dbraw/zinc/84/12/22/808841222.db2.gz	KGQLWNIMXZZAKI-YFKPBYRVSA-N	-1	0	289.382	0.587	20	10		CCCDRM
O=C(NCCn1ccnn1)c1cc(=O)n(-c2ccccc2)[n-]1	ZINC001147878874	840714676	/nfs/dbraw/zinc/71/46/76/840714676.db2.gz	WFRNDAYYDFZGNY-UHFFFAOYSA-N	-1	0	298.306	0.187	20	10		CCCDRM
O=C(CCO)CNC(=O)c1cc(O)c([O-])c(Cl)c1	ZINC001193633654	846131344	/nfs/dbraw/zinc/13/13/44/846131344.db2.gz	CZGHGVAKFHIPSN-UHFFFAOYSA-N	-1	0	273.672	0.433	20	10		CCCDRM
Cn1[nH]cnc1=NC(=O)c1c(F)ccc(O)c1[O-]	ZINC001306725814	908259850	/nfs/dbraw/zinc/25/98/50/908259850.db2.gz	WXJDPNHMTFOYCY-UHFFFAOYSA-N	-1	0	252.205	0.040	20	10		CCCDRM
O=C([O-])[C@@H]1CC[C@H]1C(=O)NCc1cc(O)ccc1O	ZINC001595181696	952252766	/nfs/dbraw/zinc/25/27/66/952252766.db2.gz	QIIYLNYPRFCSBP-NXEZZACHSA-N	-1	0	265.265	0.825	20	10		CCCDRM
Nc1ccc(CC(=O)N[C@]2(C(=O)[O-])CCOC2)cc1	ZINC000085859327	957948184	/nfs/dbraw/zinc/94/81/84/957948184.db2.gz	KYODVYPVHLTJDL-CYBMUJFWSA-N	-1	0	264.281	0.171	20	10		CCCDRM
Cc1ccc(O)c(CN2CCNC(=O)[C@@H]2CC(=O)[O-])c1	ZINC000086815664	957995403	/nfs/dbraw/zinc/99/54/03/957995403.db2.gz	DVNWQJARGCJXKW-NSHDSACASA-N	-1	0	278.308	0.476	20	10		CCCDRM
COc1ccc(O)c(CNC(=O)[C@@](C)(OC)C(=O)[O-])c1	ZINC001594105500	958464262	/nfs/dbraw/zinc/46/42/62/958464262.db2.gz	NAZXLZHPJFAHPC-CYBMUJFWSA-N	-1	0	283.280	0.507	20	10		CCCDRM
Cc1ccc(O)c(CN2CCS(=O)(=O)C[C@H]2C(=O)[O-])c1	ZINC001594373221	958560979	/nfs/dbraw/zinc/56/09/79/958560979.db2.gz	JLBURWCTJKUUAR-NSHDSACASA-N	-1	0	299.348	0.384	20	10		CCCDRM
CO[C@@](C)(C(=O)[O-])C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	ZINC001604455381	973296035	/nfs/dbraw/zinc/29/60/35/973296035.db2.gz	UTGJHAGNEWRNNX-RMLUDKJBSA-N	-1	0	297.307	0.635	20	10		CCCDRM
O=C([O-])c1c[nH]nc1NC(=O)c1cccc(O)c1O	ZINC001606460624	973916407	/nfs/dbraw/zinc/91/64/07/973916407.db2.gz	RVDJSIBIWOWOIZ-UHFFFAOYSA-N	-1	0	263.209	0.771	20	10		CCCDRM
C[C@H](CC(=O)[O-])C(=O)NCCc1ccc(O)c(O)c1	ZINC001592356237	977835106	/nfs/dbraw/zinc/83/51/06/977835106.db2.gz	HQSKCFNTKWAWRL-MRVPVSSYSA-N	-1	0	267.281	0.867	20	10		CCCDRM
C[C@@H](CC(=O)[O-])C(=O)NCc1ccc(O)c(O)c1	ZINC001592356544	977836415	/nfs/dbraw/zinc/83/64/15/977836415.db2.gz	PGFIZMDADJSYRU-ZETCQYMHSA-N	-1	0	253.254	0.825	20	10		CCCDRM
CO[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc(C)c(O)c2O)C1	ZINC001599074040	996827142	/nfs/dbraw/zinc/82/71/42/996827142.db2.gz	XCGDQMDCIGMFOQ-AWEZNQCLSA-N	-1	0	295.291	0.722	20	10		CCCDRM
O=C(NCCCN1CCOCC1)c1cccc(O)c1O	ZINC000126245384	260346491	/nfs/dbraw/zinc/34/64/91/260346491.db2.gz	UJNCYYMDLDWJSA-UHFFFAOYSA-N	-1	0	280.324	0.550	20	10		CCCDRM
O=C(C=Cc1ccc(O)c(O)c1)NCCc1nc(=O)o[n-]1	ZINC000790076656	581175983	/nfs/dbraw/zinc/17/59/83/581175983.db2.gz	JVMNWMRGBXGGOT-DUXPYHPUSA-N	-1	0	291.263	0.146	20	10		CCCDRM
COc1cccc(CNC(=O)CN(C)C(=O)[O-])c1O	ZINC000738096730	581357630	/nfs/dbraw/zinc/35/76/30/581357630.db2.gz	IZGZGHHWAYSXEM-UHFFFAOYSA-N	-1	0	268.269	0.627	20	10		CCCDRM
COc1ccc(O)c(CNC(=O)[C@H](C)NC(=O)[O-])c1	ZINC000739930593	581635667	/nfs/dbraw/zinc/63/56/67/581635667.db2.gz	MFZIHIVKUCPGOX-ZETCQYMHSA-N	-1	0	268.269	0.673	20	10		CCCDRM
COC(=O)CN(CC(=O)[O-])Cc1cc2c(cc1O)CCC2	ZINC000737615323	581992105	/nfs/dbraw/zinc/99/21/05/581992105.db2.gz	LFFGCLIQCGGQKM-UHFFFAOYSA-N	-1	0	293.319	0.941	20	10		CCCDRM
O=C(C1=CC(=O)CS1)N1CCC(c2nnn[n-]2)CC1	ZINC000738248451	582031721	/nfs/dbraw/zinc/03/17/21/582031721.db2.gz	YJHLSOLXLFPNSZ-UHFFFAOYSA-N	-1	0	279.325	0.987	20	10		CCCDRM
NC(=O)[C@@H]1CN(Cc2cc(Cl)cc(F)c2[O-])CCO1	ZINC000775668962	582033315	/nfs/dbraw/zinc/03/33/15/582033315.db2.gz	OQMGDTBFXBXKSV-JTQLQIEISA-N	-1	0	288.706	0.871	20	10		CCCDRM
O=C(C1=CC(=O)CS1)N1CCC[C@@H](c2nnn[n-]2)C1	ZINC000765111337	582090374	/nfs/dbraw/zinc/09/03/74/582090374.db2.gz	YVRLVDXZMSWZRC-SSDOTTSWSA-N	-1	0	279.325	0.987	20	10		CCCDRM
CO[N-]C(=O)CNC(=O)NCc1cc(Cl)ccc1O	ZINC000927218014	617113448	/nfs/dbraw/zinc/11/34/48/617113448.db2.gz	LCXNQISLPOJCCF-UHFFFAOYSA-N	-1	0	287.703	0.522	20	10		CCCDRM
CO[N-]C(=O)CNC(=O)N[C@H](C)c1ccccc1O	ZINC000927220467	617114599	/nfs/dbraw/zinc/11/45/99/617114599.db2.gz	SHWSTBWTJGSSLG-MRVPVSSYSA-N	-1	0	267.285	0.430	20	10		CCCDRM
Nc1ccc(CC(=O)N2CCO[C@H](C(=O)[O-])C2)cc1	ZINC000043705550	622688834	/nfs/dbraw/zinc/68/88/34/622688834.db2.gz	XXQVWWUIPRTHKQ-NSHDSACASA-N	-1	0	264.281	0.123	20	10		CCCDRM
O=C([O-])C(=O)NCc1cc(Br)ccc1O	ZINC000308888803	625053636	/nfs/dbraw/zinc/05/36/36/625053636.db2.gz	WUOCIJWMFDVNBK-UHFFFAOYSA-N	-1	0	274.070	0.856	20	10		CCCDRM
C[C@H]1C(=O)NCCN1Cc1cc(F)cc(F)c1[O-]	ZINC000893984304	631496509	/nfs/dbraw/zinc/49/65/09/631496509.db2.gz	MMBHBSNLTITNQP-ZETCQYMHSA-N	-1	0	256.252	0.991	20	10		CCCDRM
Nc1ccc(CC(=O)N=c2[n-]nc3ccccn32)cc1	ZINC000082284194	649591533	/nfs/dbraw/zinc/59/15/33/649591533.db2.gz	JIOOIFYPXZDKNZ-UHFFFAOYSA-N	-1	0	267.292	0.915	20	10		CCCDRM
C[N@@H+](Cc1cc(F)cc(Cl)c1[O-])C[C@H](O)CO	ZINC001237801800	806718552	/nfs/dbraw/zinc/71/85/52/806718552.db2.gz	WNLXESQREADDNH-VIFPVBQESA-N	-1	0	263.696	0.970	20	10		CCCDRM
NC(=O)[C@H]1CN(Cc2cc(F)cc(Cl)c2[O-])CCO1	ZINC001237806965	806720114	/nfs/dbraw/zinc/72/01/14/806720114.db2.gz	XOVGTUGFXXXMJH-SNVBAGLBSA-N	-1	0	288.706	0.871	20	10		CCCDRM
O=C(NCCc1cc[nH]n1)c1cc(=O)n(-c2ccccc2)[n-]1	ZINC001147889286	840705212	/nfs/dbraw/zinc/70/52/12/840705212.db2.gz	DZJRLGJWWZEVSB-UHFFFAOYSA-N	-1	0	297.318	0.861	20	10		CCCDRM
CN1CCN(C(=O)c2cc(O)c([O-])c(Cl)c2)CC1=O	ZINC001193589387	846114432	/nfs/dbraw/zinc/11/44/32/846114432.db2.gz	JSEUAEDLXTUBIB-UHFFFAOYSA-N	-1	0	284.699	0.665	20	10		CCCDRM
COc1ccc(O)c(CNC(=O)[C@](C)(OC)C(=O)[O-])c1	ZINC001594105502	958463691	/nfs/dbraw/zinc/46/36/91/958463691.db2.gz	NAZXLZHPJFAHPC-ZDUSSCGKSA-N	-1	0	283.280	0.507	20	10		CCCDRM
CO[C@H](C(=O)[O-])C(=O)N1Cc2cccc(O)c2C1	ZINC001604424939	973213888	/nfs/dbraw/zinc/21/38/88/973213888.db2.gz	YEBHGGJHRKHZCL-JTQLQIEISA-N	-1	0	251.238	0.334	20	10		CCCDRM
C[C@](CO)(NC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)[O-]	ZINC001592741231	979275227	/nfs/dbraw/zinc/27/52/27/979275227.db2.gz	FQNAFGNPVRSOTG-HSBHDXMMSA-N	-1	0	281.264	0.063	20	10		CCCDRM
CC(=O)C(=O)COc1ccc(C(=O)[O-])c([N+](=O)[O-])c1	ZINC001589020475	985007251	/nfs/dbraw/zinc/00/72/51/985007251.db2.gz	CTJHVLWGSLFQGN-UHFFFAOYSA-N	-1	0	267.193	0.830	20	10		CCCDRM
CN(CC1OCCO1)c1ccc(OCC(=O)[O-])cc1	ZINC001598469097	991996414	/nfs/dbraw/zinc/99/64/14/991996414.db2.gz	WZIGGLHBGPHULI-UHFFFAOYSA-N	-1	0	267.281	0.959	20	10		CCCDRM
C[C@H]1OCC[C@]1(O)CNC(=O)c1cccc(O)c1O	ZINC000228706127	389154588	/nfs/dbraw/zinc/15/45/88/389154588.db2.gz	ARHLIJSERUTZIK-OQPBUACISA-N	-1	0	267.281	0.368	20	10		CCCDRM
COC[C@@](C)([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])C(=O)[O-]	ZINC000789904003	581161528	/nfs/dbraw/zinc/16/15/28/581161528.db2.gz	NTFKARZEGYTJCQ-GFCCVEGCSA-N	-1	0	284.268	0.880	20	10		CCCDRM
Cn1nncc1S(=O)(=O)[N-]c1ccc(O)cc1	ZINC000790004549	581170231	/nfs/dbraw/zinc/17/02/31/581170231.db2.gz	GEZYHONQZCODKR-UHFFFAOYSA-N	-1	0	254.271	0.322	20	10		CCCDRM
COc1cccc(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])c1O	ZINC000738097313	581358186	/nfs/dbraw/zinc/35/81/86/581358186.db2.gz	OMQRORDDWSTQJN-IUCAKERBSA-N	-1	0	265.265	0.738	20	10		CCCDRM
O=C([O-])[C@H]1CN(Cc2cc(F)ccc2O)CCO1	ZINC000300436967	598211209	/nfs/dbraw/zinc/21/12/09/598211209.db2.gz	QXLWZMZQRVFCRC-LLVKDONJSA-N	-1	0	255.245	0.817	20	10		CCCDRM
O=C([O-])[C@@H]1C[C@@H]1C(=O)NCCc1ccc(O)c(O)c1	ZINC000833179605	604916576	/nfs/dbraw/zinc/91/65/76/604916576.db2.gz	SXBNFGTTXGXSOQ-DTWKUNHWSA-N	-1	0	265.265	0.477	20	10		CCCDRM
CC(C)[C@@H](O)C(=O)N(CC(=O)[O-])Cc1ccccc1O	ZINC000911484013	614129727	/nfs/dbraw/zinc/12/97/27/614129727.db2.gz	KGDJDDYONWRNTO-CYBMUJFWSA-N	-1	0	281.308	0.822	20	10		CCCDRM
COC[C@H](O)CN(C)c1ccc(OCC(=O)[O-])cc1	ZINC000846279828	616734294	/nfs/dbraw/zinc/73/42/94/616734294.db2.gz	MVKLAEFHCHCWPX-LLVKDONJSA-N	-1	0	269.297	0.594	20	10		CCCDRM
CNC(=O)[C@@H]1CN(Cc2ccc(F)c(F)c2[O-])CCO1	ZINC000877191796	616830434	/nfs/dbraw/zinc/83/04/34/616830434.db2.gz	FVVFBOBGTOAHCE-JTQLQIEISA-N	-1	0	286.278	0.617	20	10		CCCDRM
COCCN(CC(=O)[O-])Cc1c(O)cccc1OC	ZINC000820723490	616983803	/nfs/dbraw/zinc/98/38/03/616983803.db2.gz	KYOAEAWBULYXSF-UHFFFAOYSA-N	-1	0	269.297	0.934	20	10		CCCDRM
COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1ncc[nH]1	ZINC000821190993	641573989	/nfs/dbraw/zinc/57/39/89/641573989.db2.gz	IZHUTRYHTHNQRM-UHFFFAOYSA-N	-1	0	297.292	0.703	20	10		CCCDRM
O=C1NC(=O)N2CCN(Cc3ccc(F)c(F)c3[O-])C[C@@H]12	ZINC000877168015	646745734	/nfs/dbraw/zinc/74/57/34/646745734.db2.gz	NMWCMQDDLCMRKQ-VIFPVBQESA-N	-1	0	297.261	0.406	20	10		CCCDRM
O=C([O-])c1ccc(C[N@@H+]2C[C@@H]3CCNC(=O)[C@@H]3C2)c(O)c1	ZINC001231455519	805806374	/nfs/dbraw/zinc/80/63/74/805806374.db2.gz	QUKQEODIVUUEOO-CMPLNLGQSA-N	-1	0	290.319	0.658	20	10		CCCDRM
COC(=O)[C@H]1C(=O)NCCN1Cc1cccc(Cl)c1[O-]	ZINC001231912954	805867378	/nfs/dbraw/zinc/86/73/78/805867378.db2.gz	AUSBIAVZNGFMMA-SNVBAGLBSA-N	-1	0	298.726	0.519	20	10		CCCDRM
Cc1cc(=O)oc2c1ccc([O-])c2CN1CC(O)C1	ZINC001139126223	799783882	/nfs/dbraw/zinc/78/38/82/799783882.db2.gz	BEVJYRPGGHZVPK-UHFFFAOYSA-N	-1	0	261.277	0.984	20	10		CCCDRM
COC(=O)[C@H](CCC(=O)[O-])NC(=O)Cc1ccc(N)cc1	ZINC001220104789	804501699	/nfs/dbraw/zinc/50/16/99/804501699.db2.gz	NFLFRWQEUZMLHF-NSHDSACASA-N	-1	0	294.307	0.334	20	10		CCCDRM
COc1cc(O)ccc1[N-]S(=O)(=O)c1cnn(C)c1	ZINC001259826923	808778800	/nfs/dbraw/zinc/77/88/00/808778800.db2.gz	CQHRZIWVDTYQHD-UHFFFAOYSA-N	-1	0	283.309	0.935	20	10		CCCDRM
CN(C)C(=O)[C@]12C[C@H]1CCN2C(=O)c1cc([O-])[nH]c(=O)c1	ZINC001270175834	813662819	/nfs/dbraw/zinc/66/28/19/813662819.db2.gz	JCHBRDNRIXVYMS-OTYXRUKQSA-N	-1	0	291.307	0.186	20	10		CCCDRM
C[C@H](O)[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])C(=O)[O-]	ZINC001119549512	821360011	/nfs/dbraw/zinc/36/00/11/821360011.db2.gz	KWXPRAHIEDXJAO-CDUCUWFYSA-N	-1	0	261.224	0.594	20	10		CCCDRM
O=C(NC[C@H]1CCOC1)c1cc(=O)n(-c2ccccc2)[n-]1	ZINC001147889337	840703259	/nfs/dbraw/zinc/70/32/59/840703259.db2.gz	GSOVYSSDJWPSSY-LLVKDONJSA-N	-1	0	287.319	0.932	20	10		CCCDRM
O=C(NCc1ccncn1)c1cc(=O)n(-c2ccccc2)[n-]1	ZINC001147889198	840703404	/nfs/dbraw/zinc/70/34/04/840703404.db2.gz	BCXQIWQNLHYANY-UHFFFAOYSA-N	-1	0	295.302	0.886	20	10		CCCDRM
Cc1nnc(CNC(=O)c2cc(=O)n(-c3ccccc3)[n-]2)[nH]1	ZINC001147893939	840706361	/nfs/dbraw/zinc/70/63/61/840706361.db2.gz	VPFANUHTVCZJSG-UHFFFAOYSA-N	-1	0	298.306	0.522	20	10		CCCDRM
NC(=O)c1n[nH]cc1NC(=O)c1cc(O)c([O-])c(Cl)c1	ZINC001193589053	846114172	/nfs/dbraw/zinc/11/41/72/846114172.db2.gz	ANBMAHMSJBHRFL-UHFFFAOYSA-N	-1	0	296.670	0.826	20	10		CCCDRM
CNOCCNC(=O)c1cc(O)c([O-])c(Cl)c1	ZINC001193625986	846129485	/nfs/dbraw/zinc/12/94/85/846129485.db2.gz	QLAXTOZNNLYJEG-UHFFFAOYSA-N	-1	0	260.677	0.632	20	10		CCCDRM
CCOC(=O)CS(=O)(=O)[N-]c1ccc(O)cc1F	ZINC000085203922	846326382	/nfs/dbraw/zinc/32/63/82/846326382.db2.gz	PBUPUGDORBLFPR-UHFFFAOYSA-N	-1	0	277.273	0.836	20	10		CCCDRM
COC[C@@H]([NH2+]Cc1cc(F)cc(F)c1[O-])C(=O)[O-]	ZINC001334840877	919794996	/nfs/dbraw/zinc/79/49/96/919794996.db2.gz	GRKLPHWQOXWVNG-SECBINFHSA-N	-1	0	261.224	0.860	20	10		CCCDRM
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H](OC)C(=O)[O-]	ZINC001573895245	961389518	/nfs/dbraw/zinc/38/95/18/961389518.db2.gz	WRAAUPIGXMPUGC-NSHDSACASA-N	-1	0	288.296	0.594	20	10		CCCDRM
C[C@H](NC(=O)[C@H]1CC(C(=O)[O-])=NO1)c1ccccc1O	ZINC001605041815	972653480	/nfs/dbraw/zinc/65/34/80/972653480.db2.gz	BMGRKPKVJWCMCF-WRWORJQWSA-N	-1	0	278.264	0.799	20	10		CCCDRM
O=C([O-])[C@H]1CN(Cc2cc(F)c(F)cc2O)CCO1	ZINC001606046496	973152789	/nfs/dbraw/zinc/15/27/89/973152789.db2.gz	URFGRTWQWVVERQ-LLVKDONJSA-N	-1	0	273.235	0.956	20	10		CCCDRM
C[C@@H](CC(=O)[O-])C(=O)NCc1cccc(O)c1O	ZINC001592356674	977838738	/nfs/dbraw/zinc/83/87/38/977838738.db2.gz	WRKGCHSPQQRNGD-ZETCQYMHSA-N	-1	0	253.254	0.825	20	10		CCCDRM
CC(=O)C(=O)COC(=O)c1cc(C(=O)[O-])oc1C	ZINC001589021184	985011768	/nfs/dbraw/zinc/01/17/68/985011768.db2.gz	MYZKJXJBEDUBSQ-UHFFFAOYSA-N	-1	0	254.194	0.601	20	10		CCCDRM
COC(=O)CN(CC(=O)[O-])C(=O)c1ccc(C)c(O)c1O	ZINC001598860622	996672014	/nfs/dbraw/zinc/67/20/14/996672014.db2.gz	AHYJRUSJOYBNDI-UHFFFAOYSA-N	-1	0	297.263	0.106	20	10		CCCDRM
COC[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)[O-]	ZINC001599168340	998575337	/nfs/dbraw/zinc/57/53/37/998575337.db2.gz	YCEOTERLNNYOGW-SGRBOOSSSA-N	-1	0	281.264	0.327	20	10		CCCDRM
CN(C)c1ccc(CNC(=O)CNC(=O)[O-])cc1	ZINC000285521658	522189996	/nfs/dbraw/zinc/18/99/96/522189996.db2.gz	BYEQYKJYVAWNDO-UHFFFAOYSA-N	-1	0	251.286	0.636	20	10		CCCDRM
O=C([O-])C[C@H]1CN(Cc2cc3c(cc2O)OCO3)CCO1	ZINC000833219860	601376027	/nfs/dbraw/zinc/37/60/27/601376027.db2.gz	JYVCTRMNUHJIDU-JTQLQIEISA-N	-1	0	295.291	0.796	20	10		CCCDRM
CCO[N-]C(=O)CNC(=O)NCc1c(O)cccc1F	ZINC000923080034	615364267	/nfs/dbraw/zinc/36/42/67/615364267.db2.gz	WFACHPFSEAWXGZ-UHFFFAOYSA-N	-1	0	285.275	0.398	20	10		CCCDRM
CC[C@@H](NC(=O)c1ccc(C)c(O)c1O)C(=O)[O-]	ZINC000820411382	615531701	/nfs/dbraw/zinc/53/17/01/615531701.db2.gz	PKDVWDNIPSEYNH-MRVPVSSYSA-N	-1	0	253.254	0.999	20	10		CCCDRM
CN(CCC(=O)[O-])C(=O)C(=O)N1Cc2cccc(O)c2C1	ZINC000868343694	616068580	/nfs/dbraw/zinc/06/85/80/616068580.db2.gz	RWGYJKMWAYMDDQ-UHFFFAOYSA-N	-1	0	292.291	0.168	20	10		CCCDRM
O=C(c1cccc(O)c1O)N1CC[C@H](O)[C@@H](F)C1	ZINC000890692096	624563415	/nfs/dbraw/zinc/56/34/15/624563415.db2.gz	SQOKUMOYQGMTHP-IUCAKERBSA-N	-1	0	255.245	0.643	20	10		CCCDRM
NC(=O)CSCC(=O)NCc1cccc(Cl)c1O	ZINC000890760303	624628890	/nfs/dbraw/zinc/62/88/90/624628890.db2.gz	NTFFPNZFXSNUTA-UHFFFAOYSA-N	-1	0	288.756	0.880	20	10		CCCDRM
O=S(=O)([N-]N=c1[nH]c2cccnc2s1)N1CCC1	ZINC000857226011	644483908	/nfs/dbraw/zinc/48/39/08/644483908.db2.gz	XMWPGUQQNLZHNR-UHFFFAOYSA-N	-1	0	285.354	0.558	20	10		CCCDRM
O=C([O-])c1ccc(CN2C[C@@H]3C[C@H]2C(=O)O3)c(O)c1	ZINC001231453019	805807008	/nfs/dbraw/zinc/80/70/08/805807008.db2.gz	ABHKKRHFSLHBTN-UWVGGRQHSA-N	-1	0	263.249	0.590	20	10		CCCDRM
CS(=O)(=O)[C@H]1CCN(Cc2ccc(C(=O)[O-])cc2O)C1	ZINC001231452141	805807596	/nfs/dbraw/zinc/80/75/96/805807596.db2.gz	FGZDMXBDMRVDAI-NSHDSACASA-N	-1	0	299.348	0.709	20	10		CCCDRM
C[C@@H]1CNC(=O)CN1Cc1c([O-])cc(F)cc1F	ZINC001140584542	799923555	/nfs/dbraw/zinc/92/35/55/799923555.db2.gz	WEWIJJWMPCOYQL-SSDOTTSWSA-N	-1	0	256.252	0.991	20	10		CCCDRM
CCn1cc(CNC(=O)c2cccc(O)c2O)nn1	ZINC000404467476	803853962	/nfs/dbraw/zinc/85/39/62/803853962.db2.gz	NEWYKRXNKZELTR-UHFFFAOYSA-N	-1	0	262.269	0.639	20	10		CCCDRM
NC(=O)[C@@H]1CC12CCN(C(=O)c1cc([O-])[nH]c(=O)c1)CC2	ZINC001270176965	813662993	/nfs/dbraw/zinc/66/29/93/813662993.db2.gz	YXLKNWBDXJAXJG-VIFPVBQESA-N	-1	0	291.307	0.220	20	10		CCCDRM
Cn1ccnc1S(=O)(=O)[N-]c1cccc(O)c1O	ZINC001193600384	846138291	/nfs/dbraw/zinc/13/82/91/846138291.db2.gz	YPBFAMNXQAYQNM-UHFFFAOYSA-N	-1	0	269.282	0.632	20	10		CCCDRM
Cn1[n-]c(C(=O)NCc2ccc(O)cc2O)cc1=O	ZINC001299574581	904056001	/nfs/dbraw/zinc/05/60/01/904056001.db2.gz	SJEILEDUTUDPNI-UHFFFAOYSA-N	-1	0	263.253	0.467	20	10		CCCDRM
O=C([O-])c1cc(C(=O)NCc2ccccc2O)[nH]n1	ZINC001594776655	953587989	/nfs/dbraw/zinc/58/79/89/953587989.db2.gz	NFOMSKNHZYRJAV-UHFFFAOYSA-N	-1	0	261.237	0.744	20	10		CCCDRM
Cn1nc(C(=O)[O-])cc1C(=O)NCc1cc(O)ccc1O	ZINC001594565903	955846709	/nfs/dbraw/zinc/84/67/09/955846709.db2.gz	TZPZRPDTBDHBJZ-UHFFFAOYSA-N	-1	0	291.263	0.460	20	10		CCCDRM
C[C@@H](CC(=O)[O-])NC(=O)c1c(F)ccc(O)c1O	ZINC001574004088	961879820	/nfs/dbraw/zinc/87/98/20/961879820.db2.gz	PACSAPXOHYWGMM-YFKPBYRVSA-N	-1	0	257.217	0.830	20	10		CCCDRM
C[C@@H](NCc1nnn(C)n1)c1cc(C(=O)[O-])ccc1O	ZINC001593316603	994812102	/nfs/dbraw/zinc/81/21/02/994812102.db2.gz	IUYVCIZPBZXBCA-SSDOTTSWSA-N	-1	0	277.284	0.465	20	10		CCCDRM
COc1ccc(CNC(=O)NCCOCC(=O)[O-])c(O)c1	ZINC001599567490	998310563	/nfs/dbraw/zinc/31/05/63/998310563.db2.gz	BJBAOJDWLNMZME-UHFFFAOYSA-N	-1	0	298.295	0.301	20	10		CCCDRM
CCN(C)C(=O)[C@H](C)NC(=O)c1c(F)ccc(O)c1O	ZINC000295538216	353902253	/nfs/dbraw/zinc/90/22/53/353902253.db2.gz	VYOOWOLKEHWVIP-ZETCQYMHSA-N	-1	0	284.287	0.834	20	10		CCCDRM
CN1CCCc2cc(CNC(=O)c3cc(=O)[nH][n-]3)ccc21	ZINC000732279507	581815921	/nfs/dbraw/zinc/81/59/21/581815921.db2.gz	RJXPVQALAFVHNP-UHFFFAOYSA-N	-1	0	286.335	0.561	20	10		CCCDRM
CN1CC[C@H]([N@H+](C)Cc2cc3c(cc2O)OC[C@@H]3O)C1=O	ZINC000768445887	582106640	/nfs/dbraw/zinc/10/66/40/582106640.db2.gz	KDDYSUSTFKRWQX-AAEUAGOBSA-N	-1	0	292.335	0.481	20	10		CCCDRM
O=C([O-])[C@@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)CCO1	ZINC000821510699	598220638	/nfs/dbraw/zinc/22/06/38/598220638.db2.gz	JBRDTBQRTWXIHR-KMOQFTEPSA-N	-1	0	293.275	0.423	20	10		CCCDRM
O=C([O-])N1CC(OCC(=O)NCc2ccc(O)c(O)c2)C1	ZINC000834012206	605548807	/nfs/dbraw/zinc/54/88/07/605548807.db2.gz	WHYBDAJHISMLJW-UHFFFAOYSA-N	-1	0	296.279	0.093	20	10		CCCDRM
COc1cc(O)c(CN2CCO[C@H](C(=O)[O-])C2)cc1OC	ZINC000820774751	617207862	/nfs/dbraw/zinc/20/78/62/617207862.db2.gz	HZIGQEFJXKOLOC-ZDUSSCGKSA-N	-1	0	297.307	0.695	20	10		CCCDRM
CC[C@@H](CO)C(=O)N(CC(=O)[O-])Cc1ccccc1O	ZINC000911487100	615485518	/nfs/dbraw/zinc/48/55/18/615485518.db2.gz	BDDPFKJDJDBQGU-JTQLQIEISA-N	-1	0	281.308	0.824	20	10		CCCDRM
CN(CCN1CCOCC1)c1ccc(OCC(=O)[O-])cc1	ZINC000846280467	616090324	/nfs/dbraw/zinc/09/03/24/616090324.db2.gz	XEEMBVONGIEEKG-UHFFFAOYSA-N	-1	0	294.351	0.918	20	10		CCCDRM
CN1CCN(Cc2cc(F)cc(F)c2[O-])CC1=O	ZINC000894032692	616244755	/nfs/dbraw/zinc/24/47/55/616244755.db2.gz	RSRQUYCLCKMEPW-UHFFFAOYSA-N	-1	0	256.252	0.944	20	10		CCCDRM
O=C(Cn1[n-]cc2c(=O)ncnc1-2)NCc1ccccc1O	ZINC000730587779	637676068	/nfs/dbraw/zinc/67/60/68/637676068.db2.gz	CYYOBAIWYRUXML-UHFFFAOYSA-N	-1	0	299.290	0.093	20	10		CCCDRM
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(=O)n(C)[n-]1	ZINC000831925589	642410303	/nfs/dbraw/zinc/41/03/03/642410303.db2.gz	ZDNIOYZRNGRITI-MRVPVSSYSA-N	-1	0	291.307	0.898	20	10		CCCDRM
CO[C@](C)(C(=O)[O-])C(=O)N(C)Cc1ccccc1O	ZINC000852947894	644062264	/nfs/dbraw/zinc/06/22/64/644062264.db2.gz	RCEOLLBTVBSGSA-ZDUSSCGKSA-N	-1	0	267.281	0.840	20	10		CCCDRM
CS(=O)(=O)NC1CN(Cc2ccc(F)c(F)c2[O-])C1	ZINC000877653952	646833093	/nfs/dbraw/zinc/83/30/93/646833093.db2.gz	IHVHMQWEIICJLL-UHFFFAOYSA-N	-1	0	292.307	0.404	20	10		CCCDRM
O=C(C[N-]S(=O)(=O)C(F)F)c1ccc(O)c(O)c1	ZINC001259961615	808825184	/nfs/dbraw/zinc/82/51/84/808825184.db2.gz	NLYKJHVMLORZPK-UHFFFAOYSA-N	-1	0	281.236	0.423	20	10		CCCDRM
Cn1cc(S(=O)(=O)[N-]c2cccc(O)c2O)cn1	ZINC001259826351	808779194	/nfs/dbraw/zinc/77/91/94/808779194.db2.gz	KYGJHTUJOJHIQJ-UHFFFAOYSA-N	-1	0	269.282	0.632	20	10		CCCDRM
O=C(NCc1cc[nH]n1)c1cc(=O)n(-c2ccccc2)[n-]1	ZINC001147887752	840703137	/nfs/dbraw/zinc/70/31/37/840703137.db2.gz	REFKXSCUGCFKLB-UHFFFAOYSA-N	-1	0	283.291	0.819	20	10		CCCDRM
O=C(N[C@H]1COC(=O)C1)c1cc(=O)n(-c2ccccc2)[n-]1	ZINC001147889600	840705008	/nfs/dbraw/zinc/70/50/08/840705008.db2.gz	MUDFHEKLSCMIEX-SECBINFHSA-N	-1	0	287.275	0.211	20	10		CCCDRM
O=C(NC[C@H]1CNC(=O)O1)c1cc(O)c([O-])c(Cl)c1	ZINC001193635714	846131778	/nfs/dbraw/zinc/13/17/78/846131778.db2.gz	ZFQLIQGFTNEJCO-LURJTMIESA-N	-1	0	286.671	0.589	20	10		CCCDRM
NC(=O)[C@@]12C[C@@H]1CCN2C(=O)c1cc(O)c([O-])c(Cl)c1	ZINC001276216288	901974290	/nfs/dbraw/zinc/97/42/90/901974290.db2.gz	QYJRELOEUBHWGZ-WPPNPWJKSA-N	-1	0	296.710	0.841	20	10		CCCDRM
O=C(Cc1ccc(O)c(O)c1)N[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001574535167	961920168	/nfs/dbraw/zinc/92/01/68/961920168.db2.gz	XNBHKEKATYEJQJ-DTORHVGOSA-N	-1	0	265.265	0.620	20	10		CCCDRM
CC1(C(=O)[O-])CN(C(=O)c2cccc(O)c2O)C1	ZINC000399340020	973216588	/nfs/dbraw/zinc/21/65/88/973216588.db2.gz	GYKWMXSWJHZVFE-UHFFFAOYSA-N	-1	0	251.238	0.645	20	10		CCCDRM
COc1ccc(CN2CC(O)(C(=O)[O-])C2)c(O)c1OC	ZINC001599562067	998217685	/nfs/dbraw/zinc/21/76/85/998217685.db2.gz	AIPRSKLPJUAZFA-UHFFFAOYSA-N	-1	0	283.280	0.041	20	10		CCCDRM
COc1ccc2c(c1)CCCN2CC(=O)NCC(=O)[O-]	ZINC000781137151	581259628	/nfs/dbraw/zinc/25/96/28/581259628.db2.gz	PNHAIESSJZOUEZ-UHFFFAOYSA-N	-1	0	278.308	0.649	20	10		CCCDRM
Cn1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)nn1	ZINC000741466678	581754762	/nfs/dbraw/zinc/75/47/62/581754762.db2.gz	APKSBHPWUSUXGW-XFFZJAGNSA-N	-1	0	269.264	0.277	20	10		CCCDRM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cn[nH]c1	ZINC000751536567	582084966	/nfs/dbraw/zinc/08/49/66/582084966.db2.gz	VSTCSSJYFLFQLD-WDZFZDKYSA-N	-1	0	254.249	0.871	20	10		CCCDRM
Cc1ccc(C(=O)N(C)CCC(=O)[O-])c(O)c1O	ZINC000821063958	597670386	/nfs/dbraw/zinc/67/03/86/597670386.db2.gz	JLZCNFOPOKHFKU-UHFFFAOYSA-N	-1	0	253.254	0.953	20	10		CCCDRM
O=C([O-])N1CCC[C@@H]1C(=O)NCc1ccc(O)c(O)c1	ZINC000831714599	605523244	/nfs/dbraw/zinc/52/32/44/605523244.db2.gz	FAXBEKMVMNAXRK-SECBINFHSA-N	-1	0	280.280	0.856	20	10		CCCDRM
CS(C)(=O)=NS(=O)(=O)[N-]Cc1c(O)cccc1F	ZINC000921452193	617198348	/nfs/dbraw/zinc/19/83/48/617198348.db2.gz	HBDVVHQNQLNMKC-UHFFFAOYSA-N	-1	0	296.345	0.593	20	10		CCCDRM
COc1ccc(N(C)CC(=O)NCC(=O)[O-])cc1OC	ZINC000820841566	617267115	/nfs/dbraw/zinc/26/71/15/617267115.db2.gz	ZOLBZNGKDMQHII-UHFFFAOYSA-N	-1	0	282.296	0.341	20	10		CCCDRM
CC(C)(O)CC(=O)N(CC(=O)[O-])Cc1ccccc1O	ZINC000911483997	614176068	/nfs/dbraw/zinc/17/60/68/614176068.db2.gz	JMRSTKGUAZKBTN-UHFFFAOYSA-N	-1	0	281.308	0.966	20	10		CCCDRM
CCO[N-]C(=O)CNC(=O)NCc1ccc(OC)cc1O	ZINC000845534921	615364823	/nfs/dbraw/zinc/36/48/23/615364823.db2.gz	IWLAVWOMLXVWDV-UHFFFAOYSA-N	-1	0	297.311	0.268	20	10		CCCDRM
CCn1[nH]c(C)nc1=NC(=O)c1cccc(O)c1[O-]	ZINC000839904419	615909431	/nfs/dbraw/zinc/90/94/31/615909431.db2.gz	NZNQXEQADNIBEM-UHFFFAOYSA-N	-1	0	262.269	0.692	20	10		CCCDRM
CN(CCOCCO)c1ccc(OCC(=O)[O-])cc1	ZINC000846279745	616117780	/nfs/dbraw/zinc/11/77/80/616117780.db2.gz	KGWQWXATBUNVGV-UHFFFAOYSA-N	-1	0	269.297	0.595	20	10		CCCDRM
CN1CCOC[C@H]1CNC(=O)NCc1c(O)cccc1F	ZINC000923434869	616249988	/nfs/dbraw/zinc/24/99/88/616249988.db2.gz	BJODCCBXEXQGFO-SNVBAGLBSA-N	-1	0	297.330	0.661	20	10		CCCDRM
CO[C@@](C)(C(=O)[O-])C(=O)NCc1ccccc1O	ZINC000852943871	616900796	/nfs/dbraw/zinc/90/07/96/616900796.db2.gz	ZYAFZFHKRLAWDM-GFCCVEGCSA-N	-1	0	253.254	0.498	20	10		CCCDRM
CO[C@](C)(C(=O)[O-])C(=O)NCc1ccc(N(C)C)c(F)c1	ZINC000852946368	617125230	/nfs/dbraw/zinc/12/52/30/617125230.db2.gz	QTXMRANOBWMHKS-AWEZNQCLSA-N	-1	0	298.314	0.998	20	10		CCCDRM
O=C(CN1CCOC1=O)NCc1c(O)cccc1F	ZINC000928710239	632549679	/nfs/dbraw/zinc/54/96/79/632549679.db2.gz	QYKGMSWGFAPPDC-UHFFFAOYSA-N	-1	0	268.244	0.600	20	10		CCCDRM
O=S(=O)([N-]N=c1[nH]c2cccnc2s1)N1CCCC1	ZINC000857226013	644483810	/nfs/dbraw/zinc/48/38/10/644483810.db2.gz	XNCQAUJBAWBGMR-UHFFFAOYSA-N	-1	0	299.381	0.948	20	10		CCCDRM
COc1n[nH]c(NC(=O)Cc2ccc(O)c(O)c2)n1	ZINC001137567694	799673382	/nfs/dbraw/zinc/67/33/82/799673382.db2.gz	KDOLLRRPNBAMOR-UHFFFAOYSA-N	-1	0	264.241	0.406	20	10		CCCDRM
Cn1cc(S(=O)(=O)[N-]c2ccc(O)cc2O)cn1	ZINC001259819902	808774795	/nfs/dbraw/zinc/77/47/95/808774795.db2.gz	HSPDCDMYRXNRIG-UHFFFAOYSA-N	-1	0	269.282	0.632	20	10		CCCDRM
CN(C[C@H](O)C1CC1)C(=O)c1cccc(O)c1O	ZINC000690336427	815496140	/nfs/dbraw/zinc/49/61/40/815496140.db2.gz	WENUWRYWEIZQPQ-NSHDSACASA-N	-1	0	251.282	0.941	20	10		CCCDRM
O=S(=O)([N-]c1ccc(O)cc1O)c1c[nH]cn1	ZINC001187725334	844751538	/nfs/dbraw/zinc/75/15/38/844751538.db2.gz	YFLFBYJZZHNVPZ-UHFFFAOYSA-N	-1	0	255.255	0.622	20	10		CCCDRM
O=C(CNC(=O)c1ccn[nH]1)c1ccc(O)c(O)c1	ZINC001146843072	840397851	/nfs/dbraw/zinc/39/78/51/840397851.db2.gz	ZALCPCNLZIYXCA-UHFFFAOYSA-N	-1	0	261.237	0.434	20	10		CCCDRM
CN(C(=O)c1cc(=O)n(-c2ccccc2)[n-]1)C1COC1	ZINC001147883832	840714548	/nfs/dbraw/zinc/71/45/48/840714548.db2.gz	ANVKSWFXRUJGEQ-UHFFFAOYSA-N	-1	0	273.292	0.637	20	10		CCCDRM
C[C@H]1C(=O)NCCN1C(=O)c1cc(O)c([O-])c(Cl)c1	ZINC001193602525	846137828	/nfs/dbraw/zinc/13/78/28/846137828.db2.gz	COZJLPSYZDHTTP-LURJTMIESA-N	-1	0	284.699	0.712	20	10		CCCDRM
Nc1ccc(CCNC(=O)CSCC(=O)[O-])cc1	ZINC000394113491	854147200	/nfs/dbraw/zinc/14/72/00/854147200.db2.gz	NLZBAIKGBGVVGM-UHFFFAOYSA-N	-1	0	268.338	0.745	20	10		CCCDRM
O=C([O-])CCC(=O)OCC(=O)c1ccc(O)c(O)c1	ZINC001611421695	971043360	/nfs/dbraw/zinc/04/33/60/971043360.db2.gz	SFNGVQCOOWUWLR-UHFFFAOYSA-N	-1	0	268.221	0.689	20	10		CCCDRM
O=C([O-])[C@@H]1CC[C@@H]1C(=O)NCc1ccc(O)c(O)c1	ZINC001594768746	953544618	/nfs/dbraw/zinc/54/46/18/953544618.db2.gz	OCIKQJCLXJIIOX-DTWKUNHWSA-N	-1	0	265.265	0.825	20	10		CCCDRM
COC[C@]1(C(=O)[O-])CN(Cc2cccc(F)c2O)CCO1	ZINC001593984599	956752457	/nfs/dbraw/zinc/75/24/57/956752457.db2.gz	ROROSSIBMXTLMH-AWEZNQCLSA-N	-1	0	299.298	0.833	20	10		CCCDRM
C[C@H](CN(C)C(=O)c1cccc(O)c1O)C(=O)[O-]	ZINC000126012043	958576920	/nfs/dbraw/zinc/57/69/20/958576920.db2.gz	LHXIMPLPWQTSKW-SSDOTTSWSA-N	-1	0	253.254	0.891	20	10		CCCDRM
CN(C)c1ccc(OCc2nnnn2C)cc1C(=O)[O-]	ZINC001598330080	991366630	/nfs/dbraw/zinc/36/66/30/991366630.db2.gz	FVCFSRNITDRSKA-UHFFFAOYSA-N	-1	0	277.284	0.553	20	10		CCCDRM
COc1ccc(O)c(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])c1	ZINC000738043922	581243362	/nfs/dbraw/zinc/24/33/62/581243362.db2.gz	ILJRXYFJNFTANC-VHSXEESVSA-N	-1	0	265.265	0.738	20	10		CCCDRM
O=C1N[C@H](c2cc([N+](=O)[O-])ccc2[O-])N2CCSC[C@H]12	ZINC000765519432	581523468	/nfs/dbraw/zinc/52/34/68/581523468.db2.gz	YQCVHUBGKWLSOE-KOLCDFICSA-N	-1	0	295.320	0.846	20	10		CCCDRM
COCCN(CC(=O)[O-])C(=O)C1=CC(=O)CS1	ZINC000739825096	581625162	/nfs/dbraw/zinc/62/51/62/581625162.db2.gz	JNHGYBFSUFEVFD-UHFFFAOYSA-N	-1	0	259.283	0.627	20	10		CCCDRM
C[C@@H](NC(=O)C(=O)[O-])c1ccc(N2CCOCC2)cc1	ZINC000765033161	582083839	/nfs/dbraw/zinc/08/38/39/582083839.db2.gz	OHWUGVGOJGNWMP-SNVBAGLBSA-N	-1	0	278.308	0.785	20	10		CCCDRM
O=C([O-])Cn1ccc(NC(=O)NCc2ccccc2O)n1	ZINC000833277725	601065729	/nfs/dbraw/zinc/06/57/29/601065729.db2.gz	XBCMPHRVKBUHOH-UHFFFAOYSA-N	-1	0	290.279	0.995	20	10		CCCDRM
COc1cccc(CN2CCO[C@@H](C(=O)[O-])C2)c1O	ZINC000086805394	604628799	/nfs/dbraw/zinc/62/87/99/604628799.db2.gz	NAYJPAZPZKOLES-LLVKDONJSA-N	-1	0	267.281	0.686	20	10		CCCDRM
O=C([O-])[C@H]1C[C@@H]1C(=O)NCCc1ccc(O)c(O)c1	ZINC000833179606	604916185	/nfs/dbraw/zinc/91/61/85/604916185.db2.gz	SXBNFGTTXGXSOQ-IUCAKERBSA-N	-1	0	265.265	0.477	20	10		CCCDRM
O=C([O-])N1CCOC[C@H]1C(=O)NCc1ccc(O)c(O)c1	ZINC000834048738	605546901	/nfs/dbraw/zinc/54/69/01/605546901.db2.gz	MRXWAFXTULLOGI-VIFPVBQESA-N	-1	0	296.279	0.093	20	10		CCCDRM
COCCN1CN(Cc2ccc(F)c(F)c2[O-])CC1=O	ZINC000877504209	616431228	/nfs/dbraw/zinc/43/12/28/616431228.db2.gz	CIFZOHHMWMWYIZ-UHFFFAOYSA-N	-1	0	286.278	0.919	20	10		CCCDRM
COC[C@H]1C(=O)N[C@@H](c2ccc(F)c(F)c2[O-])N1C	ZINC000864387400	616762743	/nfs/dbraw/zinc/76/27/43/616762743.db2.gz	ITZYMWNUUONQCR-GZMMTYOYSA-N	-1	0	272.251	0.746	20	10		CCCDRM
NC(=O)[C@@H]1C[C@@H](O)CN1Cc1cc(F)cc(F)c1[O-]	ZINC000895371030	632070782	/nfs/dbraw/zinc/07/07/82/632070782.db2.gz	LJONYYGEDLDFPW-SCZZXKLOSA-N	-1	0	272.251	0.091	20	10		CCCDRM
C[C@@H]1C(=O)N[C@@H](C)[C@H](C)N1C(=O)c1cccc(O)c1O	ZINC000911800072	636392507	/nfs/dbraw/zinc/39/25/07/636392507.db2.gz	NCYLHJOWXHCUSI-XHNCKOQMSA-N	-1	0	278.308	0.835	20	10		CCCDRM
C[C@H]1CN(Cc2ccc(F)c(F)c2[O-])CC(=O)N1	ZINC000877567885	646824551	/nfs/dbraw/zinc/82/45/51/646824551.db2.gz	SMUQMZCLSYJULN-ZETCQYMHSA-N	-1	0	256.252	0.991	20	10		CCCDRM
C[C@@H]1C(=O)NCCN1Cc1cc(C(=O)[O-])ccc1O	ZINC001231564540	805818412	/nfs/dbraw/zinc/81/84/12/805818412.db2.gz	TXMCWCRCFMSIET-MRVPVSSYSA-N	-1	0	264.281	0.411	20	10		CCCDRM
NC(=O)[C@@H]1C[C@H](F)CN1Cc1cc(C(=O)[O-])ccc1O	ZINC001231563501	805818877	/nfs/dbraw/zinc/81/88/77/805818877.db2.gz	BNUUTSJNHSABHY-UWVGGRQHSA-N	-1	0	282.271	0.488	20	10		CCCDRM
C[C@@H]1CN(Cc2c(F)ccc(F)c2[O-])CC(=O)N1	ZINC001139685730	799830340	/nfs/dbraw/zinc/83/03/40/799830340.db2.gz	VGRROLIMDLDCKV-SSDOTTSWSA-N	-1	0	256.252	0.991	20	10		CCCDRM
NC(=O)C1(O)CN(Cc2cc(Cl)c(F)cc2[O-])C1	ZINC001183617959	844058299	/nfs/dbraw/zinc/05/82/99/844058299.db2.gz	FRGRFWDUBGQVGS-UHFFFAOYSA-N	-1	0	274.679	0.217	20	10		CCCDRM
CC[C@@H](NC(=O)Cc1ccc(O)c(O)c1)C(=O)[O-]	ZINC001593601401	953411441	/nfs/dbraw/zinc/41/14/41/953411441.db2.gz	UMOSISGFNVCOBG-MRVPVSSYSA-N	-1	0	253.254	0.620	20	10		CCCDRM
O=C([O-])[C@H]1CCCN1C(=O)c1cccc(O)c1O	ZINC000125983285	958575311	/nfs/dbraw/zinc/57/53/11/958575311.db2.gz	SZIXXBPCHUOKDH-MRVPVSSYSA-N	-1	0	251.238	0.787	20	10		CCCDRM
C[C@H](NC(=O)c1cn(CC(=O)[O-])nn1)c1ccccc1O	ZINC001594239989	959526968	/nfs/dbraw/zinc/52/69/68/959526968.db2.gz	YBTGKWMHCSXLPV-QMMMGPOBSA-N	-1	0	290.279	0.559	20	10		CCCDRM
Cc1ccc(C(=O)N2CC(C(=O)[O-])C2)c(O)c1O	ZINC001594344724	970209747	/nfs/dbraw/zinc/20/97/47/970209747.db2.gz	MRCSXSZPCRVWOR-UHFFFAOYSA-N	-1	0	251.238	0.563	20	10		CCCDRM
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](C)C(=O)[O-]	ZINC001609903686	970599474	/nfs/dbraw/zinc/59/94/74/970599474.db2.gz	JAROCPAGGAFRNA-SFYZADRCSA-N	-1	0	267.281	0.866	20	10		CCCDRM
CC(=O)C(=O)COC(=O)c1cccc(OCC(=O)[O-])c1	ZINC001589022016	985014689	/nfs/dbraw/zinc/01/46/89/985014689.db2.gz	ZNWIKMDGCISDEH-UHFFFAOYSA-N	-1	0	280.232	0.465	20	10		CCCDRM
C[C@@H](O)[C@H]([NH2+]Cc1cccc(Cl)c1[O-])C(=O)[O-]	ZINC001599845051	988916686	/nfs/dbraw/zinc/91/66/86/988916686.db2.gz	JFJOIUOWLKPSAG-MUWHJKNJSA-N	-1	0	259.689	0.969	20	10		CCCDRM
COc1cccc(CNC(=O)NCCOCC(=O)[O-])c1O	ZINC001599673893	994863037	/nfs/dbraw/zinc/86/30/37/994863037.db2.gz	QSORWHDCELUHBS-UHFFFAOYSA-N	-1	0	298.295	0.301	20	10		CCCDRM
COc1ccc(CN2CCOC[C@H]2C(=O)[O-])c(O)c1OC	ZINC001599560522	998183739	/nfs/dbraw/zinc/18/37/39/998183739.db2.gz	JQBOSRUGSPIWIR-JTQLQIEISA-N	-1	0	297.307	0.695	20	10		CCCDRM
CC(C)[C@@H]1C(=O)NCCN1C(=O)c1cccc(O)c1O	ZINC000188393501	388926053	/nfs/dbraw/zinc/92/60/53/388926053.db2.gz	ZJLSVVFOPIYICG-LLVKDONJSA-N	-1	0	278.308	0.694	20	10		CCCDRM
COc1cc(C)cc(CN2CCO[C@H](C(=O)[O-])C2)c1O	ZINC000820759048	617175620	/nfs/dbraw/zinc/17/56/20/617175620.db2.gz	BXFUVMFYEVBRAU-LBPRGKRZSA-N	-1	0	281.308	0.995	20	10		CCCDRM
O=C([O-])N1CCO[C@@H](CC(=O)NCc2ccccc2O)C1	ZINC000831389174	605286178	/nfs/dbraw/zinc/28/61/78/605286178.db2.gz	ZQJHGPZYKAKFSK-NSHDSACASA-N	-1	0	294.307	0.777	20	10		CCCDRM
CN(Cc1ccccc1O)C(=O)COC1CN(C(=O)[O-])C1	ZINC000828400257	616170754	/nfs/dbraw/zinc/17/07/54/616170754.db2.gz	VMSIUFKFWPNYAI-UHFFFAOYSA-N	-1	0	294.307	0.729	20	10		CCCDRM
COCCN(CC(=O)[O-])C(=O)c1ccc(C)c(O)c1O	ZINC000820718948	616983137	/nfs/dbraw/zinc/98/31/37/616983137.db2.gz	HTSGHSNZXPWGIL-UHFFFAOYSA-N	-1	0	283.280	0.579	20	10		CCCDRM
O=C([O-])c1ccc(O)c(CN2CC(=O)N3CCC[C@@H]3C2)c1	ZINC001231565448	805817540	/nfs/dbraw/zinc/81/75/40/805817540.db2.gz	WTUQYXRZIHRFIL-GFCCVEGCSA-N	-1	0	290.319	0.897	20	10		CCCDRM
NC(=O)N1CCN(Cc2cc(C(=O)[O-])ccc2O)CC1	ZINC001231564754	805817716	/nfs/dbraw/zinc/81/77/16/805817716.db2.gz	XCXRFEPVVAHHFS-UHFFFAOYSA-N	-1	0	279.296	0.287	20	10		CCCDRM
NC(=O)N1CCN(Cc2c(F)ccc(F)c2[O-])CC1	ZINC001139685054	799830120	/nfs/dbraw/zinc/83/01/20/799830120.db2.gz	UPGASJWPCFZZBQ-UHFFFAOYSA-N	-1	0	271.267	0.867	20	10		CCCDRM
O=C1CN(C2CN(Cc3c(F)ccc(F)c3[O-])C2)CCN1	ZINC001139682642	799830429	/nfs/dbraw/zinc/83/04/29/799830429.db2.gz	ALZPTLVJQUHDEN-UHFFFAOYSA-N	-1	0	297.305	0.286	20	10		CCCDRM
Cn1ccc(-c2ccc(-c3nn[nH]n3)nc2)cc1=O	ZINC001240988949	806961355	/nfs/dbraw/zinc/96/13/55/806961355.db2.gz	LLZCUZQXXOUDNC-UHFFFAOYSA-N	-1	0	254.253	0.627	20	10		CCCDRM
O=C1NC[C@@H]2CN(Cc3cc(F)cc(F)c3[O-])CCN12	ZINC000708434075	819774923	/nfs/dbraw/zinc/77/49/23/819774923.db2.gz	OAHWLZBGXFXMFQ-SNVBAGLBSA-N	-1	0	283.278	0.880	20	10		CCCDRM
O=S1(=O)CCN(Cc2cc(F)cc(F)c2[O-])CC1	ZINC000708384432	819775104	/nfs/dbraw/zinc/77/51/04/819775104.db2.gz	PWZYLCNLONBJRJ-UHFFFAOYSA-N	-1	0	277.292	0.901	20	10		CCCDRM
CO[C@@H](C)CNC(=O)c1cc(=O)n(-c2ccccc2)[n-]1	ZINC001147889786	840703528	/nfs/dbraw/zinc/70/35/28/840703528.db2.gz	QNQVZTFAKHOFBW-JTQLQIEISA-N	-1	0	275.308	0.930	20	10		CCCDRM
COc1cc(C(=O)N[C@H]2SC(=O)[N-]C2=O)cc(O)c1O	ZINC001193114139	845982685	/nfs/dbraw/zinc/98/26/85/845982685.db2.gz	MPPNMESKLKNGNL-JTQLQIEISA-N	-1	0	298.276	0.145	20	10		CCCDRM
O=C(c1cc(O)c([O-])c(Cl)c1)N1C[C@@H]2C[C@H]1C(=O)O2	ZINC001193611343	846121664	/nfs/dbraw/zinc/12/16/64/846121664.db2.gz	CRMFLLXKFIYXIW-XPUUQOCRSA-N	-1	0	283.667	0.891	20	10		CCCDRM
Nc1cn(C(=O)c2cc(O)c([O-])c(Cl)c2)c(N)nc1=O	ZINC001193634910	846131387	/nfs/dbraw/zinc/13/13/87/846131387.db2.gz	LVFGHVWEJUQJOV-UHFFFAOYSA-N	-1	0	296.670	0.403	20	10		CCCDRM
CCOC(=O)CS(=O)(=O)[N-]c1ccc(O)cc1OC	ZINC001195977654	846656919	/nfs/dbraw/zinc/65/69/19/846656919.db2.gz	XVBZPAXXZWCNBP-UHFFFAOYSA-N	-1	0	289.309	0.706	20	10		CCCDRM
CN(Cc1ccccc1O)C(=O)[C@H]1CC[C@@H](C(=O)[O-])O1	ZINC000222590245	959820957	/nfs/dbraw/zinc/82/09/57/959820957.db2.gz	IVGLVNOAJLJSTN-NEPJUHHUSA-N	-1	0	279.292	0.983	20	10		CCCDRM
C[C@H](C(=O)[O-])C(=O)OCC(=O)c1ccc(O)c(O)c1	ZINC001609706527	970483810	/nfs/dbraw/zinc/48/38/10/970483810.db2.gz	XFIMCOUKVILSCR-ZCFIWIBFSA-N	-1	0	268.221	0.544	20	10		CCCDRM
CO[C@](C)(C(=O)[O-])C(=O)NCc1c(O)cccc1O	ZINC001604463611	973324301	/nfs/dbraw/zinc/32/43/01/973324301.db2.gz	RKRLRPUIAUJANI-LBPRGKRZSA-N	-1	0	269.253	0.204	20	10		CCCDRM
C[C@H]1CN(C(=O)Nc2ccc(N)cc2)C[C@@H](C(=O)[O-])O1	ZINC001599922421	985153999	/nfs/dbraw/zinc/15/39/99/985153999.db2.gz	CFKLZIKCTPWISS-KWQFWETISA-N	-1	0	279.296	0.975	20	10		CCCDRM
CNC(=O)NC(=O)CN(C)c1ccc(OCC(=O)[O-])cc1	ZINC001598652511	994467179	/nfs/dbraw/zinc/46/71/79/994467179.db2.gz	SKONZGPWMPDWHQ-UHFFFAOYSA-N	-1	0	295.295	0.042	20	10		CCCDRM
CO[C@@H]1CN(C(=O)Cc2ccc(N)cc2)[C@](C)(C(=O)[O-])C1	ZINC001599133938	998004201	/nfs/dbraw/zinc/00/42/01/998004201.db2.gz	MZKXJEPFVCYCFK-WFASDCNBSA-N	-1	0	292.335	0.902	20	10		CCCDRM
COC[C@@](C)(CC(=O)[O-])NC(=O)Cc1ccc(O)c(O)c1	ZINC001599146814	998227053	/nfs/dbraw/zinc/22/70/53/998227053.db2.gz	GAOUYZCGJGAHDT-CQSZACIVSA-N	-1	0	297.307	0.636	20	10		CCCDRM
C[C@H](CNC(=O)c1c(F)ccc(O)c1O)[NH+](C)C	ZINC000294968095	353891583	/nfs/dbraw/zinc/89/15/83/353891583.db2.gz	XDLGYTHTQXTUJH-SSDOTTSWSA-N	-1	0	256.277	0.917	20	10		CCCDRM
Cc1ccc(C(=O)NC[C@]2(O)CCO[C@@H]2C)c(O)c1O	ZINC000279642715	526183194	/nfs/dbraw/zinc/18/31/94/526183194.db2.gz	ZFLQILIBHSILOW-YMTOWFKASA-N	-1	0	281.308	0.676	20	10		CCCDRM
Cc1n[nH]c(C(=O)NCc2ccc(O)c(O)c2)c1[O-]	ZINC000778924395	581170166	/nfs/dbraw/zinc/17/01/66/581170166.db2.gz	DFTQWKPXWNDZHM-UHFFFAOYSA-N	-1	0	263.253	0.765	20	10		CCCDRM
O=C([O-])NCCCNC(=O)NCc1ccccc1O	ZINC000740650387	581706826	/nfs/dbraw/zinc/70/68/26/581706826.db2.gz	AQWNIUVTZITQMD-UHFFFAOYSA-N	-1	0	267.285	0.849	20	10		CCCDRM
NC(=O)[C@H]1CN(Cc2cc(Cl)cc(F)c2[O-])CCO1	ZINC000775668964	582033448	/nfs/dbraw/zinc/03/34/48/582033448.db2.gz	OQMGDTBFXBXKSV-SNVBAGLBSA-N	-1	0	288.706	0.871	20	10		CCCDRM
C[C@@H](NC(=O)[O-])C(=O)NCc1ccc(O)c(O)c1	ZINC000825186181	605521678	/nfs/dbraw/zinc/52/16/78/605521678.db2.gz	MECYFYLPZWCBCH-ZCFIWIBFSA-N	-1	0	254.242	0.370	20	10		CCCDRM
COc1ccc(CNC(=O)[C@@H](C)C(=O)[O-])c(O)c1	ZINC000841768953	617255196	/nfs/dbraw/zinc/25/51/96/617255196.db2.gz	VMGJZLZNSPDIRQ-SSDOTTSWSA-N	-1	0	253.254	0.738	20	10		CCCDRM
COc1cccc(CNC(=O)NCCNC(=O)[O-])c1O	ZINC000829561049	617298603	/nfs/dbraw/zinc/29/86/03/617298603.db2.gz	WJVMFOLBEBNIOH-UHFFFAOYSA-N	-1	0	283.284	0.468	20	10		CCCDRM
CN(C)S(=O)(=O)[N-]N=c1[nH]c2cccnc2s1	ZINC000857225487	615969324	/nfs/dbraw/zinc/96/93/24/615969324.db2.gz	NIGAPESVPRQDNS-UHFFFAOYSA-N	-1	0	273.343	0.414	20	10		CCCDRM
CN(Cc1cn(CC(=O)[O-])nn1)c1ccc2c(c1)OCO2	ZINC000846251239	616091888	/nfs/dbraw/zinc/09/18/88/616091888.db2.gz	FPFWGQGYTSHRCH-UHFFFAOYSA-N	-1	0	290.279	0.728	20	10		CCCDRM
CN(Cc1nnn(C)n1)c1ccc(OCC(=O)[O-])cc1	ZINC000846279654	616111660	/nfs/dbraw/zinc/11/16/60/616111660.db2.gz	JSUAJSSNNBSPCA-UHFFFAOYSA-N	-1	0	277.284	0.310	20	10		CCCDRM
CN(Cc1ccccc1O)C(=O)[C@H]1C[C@H](O)CN1C(=O)[O-]	ZINC000828400343	616170973	/nfs/dbraw/zinc/17/09/73/616170973.db2.gz	XLOSRYSUFRWXHH-WDEREUQCSA-N	-1	0	294.307	0.464	20	10		CCCDRM
COC[C@@H](NCc1cc(F)cc(F)c1[O-])C(=O)OC	ZINC000894538428	616901040	/nfs/dbraw/zinc/90/10/40/616901040.db2.gz	KTAMSQKZPFHRNU-SNVBAGLBSA-N	-1	0	275.251	0.948	20	10		CCCDRM
O=C(NCc1cccc(Cl)c1O)N[C@H]1CCNC1=O	ZINC000895624934	632114373	/nfs/dbraw/zinc/11/43/73/632114373.db2.gz	GBSQBVXXEYSIAM-VIFPVBQESA-N	-1	0	283.715	0.733	20	10		CCCDRM
Nc1ccc(CC(=O)[N-]S(=O)(=O)[C@H]2CCOC2)cc1	ZINC000901036334	634160157	/nfs/dbraw/zinc/16/01/57/634160157.db2.gz	UDGOFYNONQFHRJ-NSHDSACASA-N	-1	0	284.337	0.046	20	10		CCCDRM
Cc1ccc(O)c(CNC(=O)CSc2n[nH]c(=O)[n-]2)c1	ZINC000862757304	645034795	/nfs/dbraw/zinc/03/47/95/645034795.db2.gz	OHHNNMMDZAEKAY-UHFFFAOYSA-N	-1	0	294.336	0.933	20	10		CCCDRM
C[C@@H]1C(=O)NCCN1Cc1ccc(F)c(F)c1[O-]	ZINC000876653532	646638612	/nfs/dbraw/zinc/63/86/12/646638612.db2.gz	ZPQUVOREKVQQIL-SSDOTTSWSA-N	-1	0	256.252	0.991	20	10		CCCDRM
C[C@H]1CN(Cc2c([O-])cc(F)cc2F)CC(=O)N1	ZINC001140583184	799923545	/nfs/dbraw/zinc/92/35/45/799923545.db2.gz	YHFAMZFMMRFAFK-ZETCQYMHSA-N	-1	0	256.252	0.991	20	10		CCCDRM
O=C([O-])c1cc(O)ccc1NS(=O)(=O)NC1CC1	ZINC000159541294	815254914	/nfs/dbraw/zinc/25/49/14/815254914.db2.gz	DKHMESLGOGTGPQ-UHFFFAOYSA-N	-1	0	272.282	0.499	20	10		CCCDRM
CO[C@@H]1COCC[C@H]1NC(=O)c1cccc(O)c1O	ZINC000382504658	809550613	/nfs/dbraw/zinc/55/06/13/809550613.db2.gz	OSEXOGNIBJNLER-MWLCHTKSSA-N	-1	0	267.281	0.632	20	10		CCCDRM
O=C([O-])c1cncc(NCCc2cc(O)c(O)cc2O)n1	ZINC001168006605	814054868	/nfs/dbraw/zinc/05/48/68/814054868.db2.gz	QTIQCOZPUPCCIQ-UHFFFAOYSA-N	-1	0	291.263	0.946	20	10		CCCDRM
C[C@H](O)[C@@H]([NH2+]Cc1cc(F)cc(F)c1[O-])C(=O)[O-]	ZINC001119613571	821397661	/nfs/dbraw/zinc/39/76/61/821397661.db2.gz	KWXPRAHIEDXJAO-SSDLBLMSSA-N	-1	0	261.224	0.594	20	10		CCCDRM
O=C(NCCn1ccnc1)c1cc(=O)n(-c2ccccc2)[n-]1	ZINC001147878296	840713189	/nfs/dbraw/zinc/71/31/89/840713189.db2.gz	AABTYFVNZGSIAJ-UHFFFAOYSA-N	-1	0	297.318	0.792	20	10		CCCDRM
CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1nnn[n-]1	ZINC001176842129	842428556	/nfs/dbraw/zinc/42/85/56/842428556.db2.gz	CXOJTOCLUZJOJX-UHFFFAOYSA-N	-1	0	288.355	0.857	20	10		CCCDRM
COC[C@H](NC(=O)C1=CC(=O)CS1)c1nnn[n-]1	ZINC001177829090	842683995	/nfs/dbraw/zinc/68/39/95/842683995.db2.gz	VSCHQKCOIIGKQP-LURJTMIESA-N	-1	0	269.286	0.084	20	10		CCCDRM
O=S(=O)(NCCc1cc(O)c(O)cc1O)c1ncc[n-]1	ZINC001190744398	845486435	/nfs/dbraw/zinc/48/64/35/845486435.db2.gz	DPXNUXRQCHSRJQ-UHFFFAOYSA-N	-1	0	299.308	0.048	20	10		CCCDRM
Cn1nccc1[C@H](NC(=O)C1=CC(=O)CS1)C(=O)[O-]	ZINC001594589591	956039947	/nfs/dbraw/zinc/03/99/47/956039947.db2.gz	NHDQDTKZSSSOIF-VIFPVBQESA-N	-1	0	281.293	0.743	20	10		CCCDRM
C[C@@](CCF)(NC(=O)Cc1ccc(O)c(O)c1)C(=O)[O-]	ZINC001592498051	978306245	/nfs/dbraw/zinc/30/62/45/978306245.db2.gz	NLWRFKQGJPNBHR-ZDUSSCGKSA-N	-1	0	285.271	0.959	20	10		CCCDRM
CC(=O)c1cc(F)cc(CN2C[C@@H](O)C[C@@H]2C(=O)[O-])c1O	ZINC001589271230	985970339	/nfs/dbraw/zinc/97/03/39/985970339.db2.gz	TWCWBBCLEGKWHQ-CMPLNLGQSA-N	-1	0	297.282	0.754	20	10		CCCDRM
C[C@](O)(CNC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)[O-]	ZINC001593398754	995150822	/nfs/dbraw/zinc/15/08/22/995150822.db2.gz	FGUXPXMGFSCVGI-LQPUYASZSA-N	-1	0	281.264	0.063	20	10		CCCDRM
COC(=O)[C@@H]1CN(C(=O)C2=CC(=O)CS2)C[C@@H]1C(=O)[O-]	ZINC001598814317	996256943	/nfs/dbraw/zinc/25/69/43/996256943.db2.gz	CEYAAPLVXVDDCH-JGVFFNPUSA-N	-1	0	299.304	0.400	20	10		CCCDRM
COc1ccc(CN2CCOC[C@@H]2C(=O)[O-])c(O)c1OC	ZINC001599560524	998183624	/nfs/dbraw/zinc/18/36/24/998183624.db2.gz	JQBOSRUGSPIWIR-SNVBAGLBSA-N	-1	0	297.307	0.695	20	10		CCCDRM
COc1cc(N(C)Cc2n[nH]c(=O)[n-]2)cc(OC)c1OC	ZINC000091581607	349468934	/nfs/dbraw/zinc/46/89/34/349468934.db2.gz	RMHUYNUNUUGHJD-UHFFFAOYSA-N	-1	0	294.311	0.760	20	10		CCCDRM
C[C@@H]1OCC[C@]1(O)CNC(=O)c1c(F)ccc(O)c1O	ZINC000296389537	353945648	/nfs/dbraw/zinc/94/56/48/353945648.db2.gz	SNHCFDAMSAENFD-CPFSXVBKSA-N	-1	0	285.271	0.507	20	10		CCCDRM
CN(C)c1ccc(CN(C)C(=O)CN(C)CC(=O)[O-])cc1	ZINC000136100631	389264301	/nfs/dbraw/zinc/26/43/01/389264301.db2.gz	LSMJQMWWBYBJPB-UHFFFAOYSA-N	-1	0	293.367	0.727	20	10		CCCDRM
O=C([O-])/C=C/c1ccc(N(CCO)CCO)c([N+](=O)[O-])c1	ZINC000739622460	581582510	/nfs/dbraw/zinc/58/25/10/581582510.db2.gz	BJFAGNLAZPWCDU-DUXPYHPUSA-N	-1	0	296.279	0.484	20	10		CCCDRM
O=C(OCc1n[nH]c(=O)[n-]1)c1cccc(O)c1O	ZINC000758548786	581754519	/nfs/dbraw/zinc/75/45/19/581754519.db2.gz	VHGQVHKJYQBFBM-UHFFFAOYSA-N	-1	0	251.198	0.279	20	10		CCCDRM
COC(=O)[C@@H]1CN(C(=O)C2=CC(=O)CS2)CCO1	ZINC000732286738	581816939	/nfs/dbraw/zinc/81/69/39/581816939.db2.gz	WFJFYWLNVBUFKD-QMMMGPOBSA-N	-1	0	271.294	0.468	20	10		CCCDRM
COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1c[nH]cn1	ZINC000775287534	582017455	/nfs/dbraw/zinc/01/74/55/582017455.db2.gz	ORKDUBXCBPKRPP-UHFFFAOYSA-N	-1	0	297.292	0.703	20	10		CCCDRM
O=C([O-])[C@@H]1CN(Cc2cc3c(cc2O)OC[C@@H]3O)CCO1	ZINC000821513602	598098143	/nfs/dbraw/zinc/09/81/43/598098143.db2.gz	ZIERAWPWUAXDOD-AAEUAGOBSA-N	-1	0	295.291	0.103	20	10		CCCDRM
O=C([O-])Cn1cc(CCOC(=O)C2=CC(=O)CS2)nn1	ZINC000833268878	604839057	/nfs/dbraw/zinc/83/90/57/604839057.db2.gz	BEZUPCKMOCHUFB-UHFFFAOYSA-N	-1	0	297.292	0.529	20	10		CCCDRM
O=C([O-])NCCC(=O)NCc1ccc(O)c(O)c1	ZINC000832599253	605523090	/nfs/dbraw/zinc/52/30/90/605523090.db2.gz	HOBDANWSGBCRGO-UHFFFAOYSA-N	-1	0	254.242	0.372	20	10		CCCDRM
O=C([O-])N[C@@H]1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)C1	ZINC000834187497	605698612	/nfs/dbraw/zinc/69/86/12/605698612.db2.gz	YLIPYLYKAXZDTK-WUWIAWFRSA-N	-1	0	292.291	0.980	20	10		CCCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N(C)C)cc1	ZINC000872883766	617267149	/nfs/dbraw/zinc/26/71/49/617267149.db2.gz	VVCZCNKFIBVGCN-UHFFFAOYSA-N	-1	0	266.297	0.674	20	10		CCCDRM
COc1ccc(N2CC[C@H](CNC(=O)C(=O)[O-])C2)cc1	ZINC000818992628	617267913	/nfs/dbraw/zinc/26/79/13/617267913.db2.gz	RRXISOUYRLNQSZ-SNVBAGLBSA-N	-1	0	278.308	0.722	20	10		CCCDRM
CN(Cc1ccccc1O)C(=O)[C@@H]1CN(C(=O)[O-])CCO1	ZINC000828400168	616170772	/nfs/dbraw/zinc/17/07/72/616170772.db2.gz	SCSIBJPDDATQSC-LBPRGKRZSA-N	-1	0	294.307	0.729	20	10		CCCDRM
COC[C@H]1C(=O)N[C@H](c2ccc(F)c(F)c2[O-])N1C	ZINC000864387401	616763421	/nfs/dbraw/zinc/76/34/21/616763421.db2.gz	ITZYMWNUUONQCR-KWQFWETISA-N	-1	0	272.251	0.746	20	10		CCCDRM
COC[C@H]1C(=O)N[C@H](c2cc(F)cc(F)c2[O-])N1C	ZINC000887329977	616763640	/nfs/dbraw/zinc/76/36/40/616763640.db2.gz	UTGFMRADFPDQDP-ONGXEEELSA-N	-1	0	272.251	0.746	20	10		CCCDRM
COCC1(O)CN(Cc2ccc(F)c(F)c2[O-])C1	ZINC000877582025	616797242	/nfs/dbraw/zinc/79/72/42/616797242.db2.gz	FCWZSZPBJMWAOE-UHFFFAOYSA-N	-1	0	259.252	0.864	20	10		CCCDRM
COC[C@](C)(NC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)[O-]	ZINC000833720971	616827316	/nfs/dbraw/zinc/82/73/16/616827316.db2.gz	IVNMWKZTHNIPNM-SDQPKGBYSA-N	-1	0	295.291	0.717	20	10		CCCDRM
NC(=O)[C@@H]1C[C@@H](O)CN1Cc1cc(Cl)c(F)cc1[O-]	ZINC000895370574	632071218	/nfs/dbraw/zinc/07/12/18/632071218.db2.gz	FTXQAQCGGQCOJH-XCBNKYQSSA-N	-1	0	288.706	0.605	20	10		CCCDRM
Nc1ccc(CC(=O)[N-]S(=O)(=O)CC(F)(F)F)cc1	ZINC000901027514	634152484	/nfs/dbraw/zinc/15/24/84/634152484.db2.gz	DLZUKEZYZSONRC-UHFFFAOYSA-N	-1	0	296.270	0.820	20	10		CCCDRM
C[C@@H]1NC(=O)[C@H](C)N(C(=O)c2cccc(O)c2O)[C@H]1C	ZINC000911800070	636392574	/nfs/dbraw/zinc/39/25/74/636392574.db2.gz	NCYLHJOWXHCUSI-CIUDSAMLSA-N	-1	0	278.308	0.835	20	10		CCCDRM
CCN1C(=O)CN(Cc2ccc(C(=O)[O-])cc2O)CC1=O	ZINC001231445740	805803020	/nfs/dbraw/zinc/80/30/20/805803020.db2.gz	ANVPDKZDFPBUIS-UHFFFAOYSA-N	-1	0	292.291	0.281	20	10		CCCDRM
O=C([O-])c1ccc(O)c(CN2CC(=O)N3CCC[C@H]3C2)c1	ZINC001231565449	805817099	/nfs/dbraw/zinc/81/70/99/805817099.db2.gz	WTUQYXRZIHRFIL-LBPRGKRZSA-N	-1	0	290.319	0.897	20	10		CCCDRM
C[C@@H]1CNC(=O)CN1Cc1cc(C(=O)[O-])ccc1O	ZINC001231565183	805817297	/nfs/dbraw/zinc/81/72/97/805817297.db2.gz	AERJQHHFZWNYRB-MRVPVSSYSA-N	-1	0	264.281	0.411	20	10		CCCDRM
Cn1[n-]c(C(=O)NCc2cc(O)ccc2O)cc1=O	ZINC001153886071	800686030	/nfs/dbraw/zinc/68/60/30/800686030.db2.gz	VGFVGLGPWWAQRA-UHFFFAOYSA-N	-1	0	263.253	0.467	20	10		CCCDRM
CCn1[n-]nnc1=NC(=O)NCc1ccc(OC)cc1O	ZINC001205253049	803131306	/nfs/dbraw/zinc/13/13/06/803131306.db2.gz	HAGQBEDCMMTINY-UHFFFAOYSA-N	-1	0	292.299	0.151	20	10		CCCDRM
CC[C@@H](CO)NC(=O)c1cc(=O)n(-c2ccccc2)[n-]1	ZINC001221376923	804793346	/nfs/dbraw/zinc/79/33/46/804793346.db2.gz	LSNBKVXWXBDZMQ-JTQLQIEISA-N	-1	0	275.308	0.666	20	10		CCCDRM
O=S(=O)([N-]c1cccc(O)c1O)c1cn[nH]c1	ZINC001260960505	808892362	/nfs/dbraw/zinc/89/23/62/808892362.db2.gz	RIDQOBWXTMLFEI-UHFFFAOYSA-N	-1	0	255.255	0.622	20	10		CCCDRM
NC(=O)[C@H]1CC12CCN(C(=O)c1cc([O-])[nH]c(=O)c1)CC2	ZINC001270176964	813662920	/nfs/dbraw/zinc/66/29/20/813662920.db2.gz	YXLKNWBDXJAXJG-SECBINFHSA-N	-1	0	291.307	0.220	20	10		CCCDRM
Nc1c2c(=O)nccc-2[n-]n1C(=O)c1cccc(O)c1O	ZINC001148224626	840766026	/nfs/dbraw/zinc/76/60/26/840766026.db2.gz	RDKUCJFKYSFINP-UHFFFAOYSA-N	-1	0	286.247	0.358	20	10		CCCDRM
C[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)c1ccccc1O	ZINC001171723467	841752962	/nfs/dbraw/zinc/75/29/62/841752962.db2.gz	RTCIONUXUAYEDO-SSDOTTSWSA-N	-1	0	278.268	0.272	20	10		CCCDRM
Nc1ccc(N(CCO)c2cnn(CC(=O)[O-])c2)cc1	ZINC001176268079	842349965	/nfs/dbraw/zinc/34/99/65/842349965.db2.gz	ZMEKFCKNMWLCGN-UHFFFAOYSA-N	-1	0	276.296	0.680	20	10		CCCDRM
O=[N+]([O-])c1ccc([O-])c(C[NH2+]Cc2nnc(CO)[n-]2)c1	ZINC001179842465	843060930	/nfs/dbraw/zinc/06/09/30/843060930.db2.gz	KCNJSKMJUAQDKM-UHFFFAOYSA-N	-1	0	279.256	0.201	20	10		CCCDRM
COc1cccc(CNS(=O)(=O)c2ncc[n-]2)c1O	ZINC001187309278	844702606	/nfs/dbraw/zinc/70/26/06/844702606.db2.gz	UGSJDTCVWCLLDF-UHFFFAOYSA-N	-1	0	283.309	0.602	20	10		CCCDRM
COc1cc(O)ccc1[N-]S(=O)(=O)c1ncc[nH]1	ZINC001190730798	845481613	/nfs/dbraw/zinc/48/16/13/845481613.db2.gz	JEZIHKWUYRVBTF-UHFFFAOYSA-N	-1	0	269.282	0.925	20	10		CCCDRM
COC[C@@H](C)S(=O)(=O)Nc1ccc(O)c(C(=O)[O-])c1	ZINC000399671649	854520814	/nfs/dbraw/zinc/52/08/14/854520814.db2.gz	DVIYTUQUTLSKAE-SSDOTTSWSA-N	-1	0	289.309	0.867	20	10		CCCDRM
CNC(=O)N[C@@H]1CCN(C(=O)c2cccc(O)c2O)C1	ZINC001296169800	906871027	/nfs/dbraw/zinc/87/10/27/906871027.db2.gz	KSJDITZMHVKJKW-MRVPVSSYSA-N	-1	0	279.296	0.241	20	10		CCCDRM
O=C([O-])C1CN(C(=O)c2c(F)ccc(O)c2O)C1	ZINC001594948484	954938964	/nfs/dbraw/zinc/93/89/64/954938964.db2.gz	WRFXOAKSDDWPRO-UHFFFAOYSA-N	-1	0	255.201	0.394	20	10		CCCDRM
COC(=O)CC[C@H](NC(=O)C1=CC(=O)CS1)C(=O)[O-]	ZINC001593847515	955432965	/nfs/dbraw/zinc/43/29/65/955432965.db2.gz	QRGAGMSNVGWSEH-ZETCQYMHSA-N	-1	0	287.293	0.590	20	10		CCCDRM
CO[C@H](C(=O)[O-])C(=O)NCc1ccc2cccnc2c1O	ZINC001593909234	955958457	/nfs/dbraw/zinc/95/84/57/955958457.db2.gz	SLVJTFIQKANFRH-LBPRGKRZSA-N	-1	0	290.275	0.656	20	10		CCCDRM
CO[C@](C)(C(=O)[O-])C(=O)N1Cc2cccc(O)c2C1	ZINC001593924925	956107889	/nfs/dbraw/zinc/10/78/89/956107889.db2.gz	DRPOBQNOTJIIBN-ZDUSSCGKSA-N	-1	0	265.265	0.724	20	10		CCCDRM
O=C([O-])C1(NC(=O)C2=CC(=O)CS2)CCOCC1	ZINC001594723273	956978653	/nfs/dbraw/zinc/97/86/53/956978653.db2.gz	NLZJEPUTDGIAJF-UHFFFAOYSA-N	-1	0	271.294	0.817	20	10		CCCDRM
C[C@@H](C(=O)[O-])C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	ZINC001609903682	970599313	/nfs/dbraw/zinc/59/93/13/970599313.db2.gz	JAROCPAGGAFRNA-JGVFFNPUSA-N	-1	0	267.281	0.866	20	10		CCCDRM
C[C@@H](/C=C\C(=O)[O-])NC(=O)c1cccc(O)c1O	ZINC001592206620	977244370	/nfs/dbraw/zinc/24/43/70/977244370.db2.gz	UWBNVTVKIXTQJO-RBSILHGTSA-N	-1	0	251.238	0.857	20	10		CCCDRM
CC(=O)c1cc(F)cc(CN2C[C@@H](O)C[C@H]2C(=O)[O-])c1O	ZINC001589271231	985970374	/nfs/dbraw/zinc/97/03/74/985970374.db2.gz	TWCWBBCLEGKWHQ-JQWIXIFHSA-N	-1	0	297.282	0.754	20	10		CCCDRM
CC(=O)c1cc(F)cc(CN2C[C@H](O)C[C@@H]2C(=O)[O-])c1O	ZINC001589271232	985970436	/nfs/dbraw/zinc/97/04/36/985970436.db2.gz	TWCWBBCLEGKWHQ-ZYHUDNBSSA-N	-1	0	297.282	0.754	20	10		CCCDRM
Cc1ccc(C(=O)NCCc2nc(=O)o[n-]2)c(O)c1O	ZINC000280066029	526173253	/nfs/dbraw/zinc/17/32/53/526173253.db2.gz	IZUJKZLUBMHHMD-UHFFFAOYSA-N	-1	0	279.252	0.055	20	10		CCCDRM
O=C([O-])CSCC(=O)NCCc1ccc(O)c(O)c1	ZINC000821536396	597492164	/nfs/dbraw/zinc/49/21/64/597492164.db2.gz	FDIKWCAQBCPVKF-UHFFFAOYSA-N	-1	0	285.321	0.574	20	10		CCCDRM
Cc1ccc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)c(O)c1O	ZINC000821063782	597668640	/nfs/dbraw/zinc/66/86/40/597668640.db2.gz	DMGUAVWGCXUOAX-SECBINFHSA-N	-1	0	281.264	0.332	20	10		CCCDRM
COc1cc(C)cc(CN2CCO[C@@H](C(=O)[O-])C2)c1O	ZINC000820759042	617175461	/nfs/dbraw/zinc/17/54/61/617175461.db2.gz	BXFUVMFYEVBRAU-GFCCVEGCSA-N	-1	0	281.308	0.995	20	10		CCCDRM
O=C([O-])/C=C/c1ccc(N2C[C@@H](O)[C@@H](O)C2)c([N+](=O)[O-])c1	ZINC000833195199	601350834	/nfs/dbraw/zinc/35/08/34/601350834.db2.gz	CVOJSDCYDFGBIX-IOHUUBCKSA-N	-1	0	294.263	0.234	20	10		CCCDRM
O=C([O-])N1CC[C@H](C(=O)NCCc2ccc(O)c(O)c2)C1	ZINC000831699091	605520779	/nfs/dbraw/zinc/52/07/79/605520779.db2.gz	CJBVSOZTMNSYRG-JTQLQIEISA-N	-1	0	294.307	0.756	20	10		CCCDRM
COC(=O)C1(O)CN(Cc2c([O-])ccc(Cl)c2F)C1	ZINC000877770978	616384557	/nfs/dbraw/zinc/38/45/57/616384557.db2.gz	LQWGARPLRDMHAZ-UHFFFAOYSA-N	-1	0	289.690	0.904	20	10		CCCDRM
COC(=O)[C@@](C)(CO)NCc1ccc(F)c(F)c1[O-]	ZINC000894971841	616533751	/nfs/dbraw/zinc/53/37/51/616533751.db2.gz	IVMPHGOBCBTSGI-GFCCVEGCSA-N	-1	0	275.251	0.684	20	10		CCCDRM
COCCC(=O)N(CC(=O)[O-])Cc1ccccc1O	ZINC000911487847	616827736	/nfs/dbraw/zinc/82/77/36/616827736.db2.gz	XBDPDWIRQVVTHY-UHFFFAOYSA-N	-1	0	267.281	0.842	20	10		CCCDRM
COC[C@@](C)(O)CNC(=O)c1c(F)ccc(O)c1O	ZINC000826121395	617030378	/nfs/dbraw/zinc/03/03/78/617030378.db2.gz	QGUBDOKOEWEUSS-LBPRGKRZSA-N	-1	0	273.260	0.364	20	10		CCCDRM
CS(=O)(=O)NC1CN(Cc2cc(F)cc(F)c2[O-])C1	ZINC000895392821	632073733	/nfs/dbraw/zinc/07/37/33/632073733.db2.gz	DREJDBXFEJMGCY-UHFFFAOYSA-N	-1	0	292.307	0.404	20	10		CCCDRM
O=C1NC(=O)C2(CN(Cc3ccc(F)c(F)c3[O-])C2)N1	ZINC000897899776	633253016	/nfs/dbraw/zinc/25/30/16/633253016.db2.gz	FOEPGIWRVMGQDN-UHFFFAOYSA-N	-1	0	283.234	0.064	20	10		CCCDRM
CN(C)c1ccc(CNC(=O)c2n[nH]c(=O)[n-]2)cc1F	ZINC000057558011	636920131	/nfs/dbraw/zinc/92/01/31/636920131.db2.gz	IHGIHBQMTWSOEN-UHFFFAOYSA-N	-1	0	279.275	0.233	20	10		CCCDRM
Nc1ccc(CC(=O)N2CCOC[C@H]2C(=O)[O-])cc1	ZINC000088382820	637311534	/nfs/dbraw/zinc/31/15/34/637311534.db2.gz	VQCKHKWTZMVOEX-NSHDSACASA-N	-1	0	264.281	0.123	20	10		CCCDRM
Nc1ccc(CC(=O)N(CC(=O)[O-])C2CCOCC2)cc1	ZINC000844938088	643257389	/nfs/dbraw/zinc/25/73/89/643257389.db2.gz	VWAZUPBCDKJKKS-UHFFFAOYSA-N	-1	0	292.335	0.904	20	10		CCCDRM
O=C1N=NC2CN(Cc3ccc(F)c(F)c3[O-])CCN12	ZINC000877351404	646801463	/nfs/dbraw/zinc/80/14/63/646801463.db2.gz	WXWFBBKQNGBNRY-UHFFFAOYSA-N	-1	0	282.250	0.983	20	10		CCCDRM
O=C([O-])c1ccc(CN2CCS(=O)(=O)CC2)c(O)c1	ZINC001231451546	805806623	/nfs/dbraw/zinc/80/66/23/805806623.db2.gz	ZUVZBBBRQNWJKA-UHFFFAOYSA-N	-1	0	285.321	0.321	20	10		CCCDRM
COC(=O)[C@@H]1CN(Cc2cc(C(=O)[O-])ccc2O)CCO1	ZINC001231560533	805815155	/nfs/dbraw/zinc/81/51/55/805815155.db2.gz	JQBNZDWFFOPMNW-LBPRGKRZSA-N	-1	0	295.291	0.464	20	10		CCCDRM
O=C1CN(C2CN(Cc3cccc(Cl)c3[O-])C2)CCN1	ZINC001231912684	805867342	/nfs/dbraw/zinc/86/73/42/805867342.db2.gz	SCSLOGFMGJUSPY-UHFFFAOYSA-N	-1	0	295.770	0.662	20	10		CCCDRM
COc1cc(O)ccc1[N-]S(=O)(=O)c1cn(C)cn1	ZINC001259000922	808713115	/nfs/dbraw/zinc/71/31/15/808713115.db2.gz	XMMHOTZZDBTCPK-UHFFFAOYSA-N	-1	0	283.309	0.935	20	10		CCCDRM
CN(C)c1ccc(CN(C)C(=O)c2nc(=O)[nH][n-]2)cc1	ZINC000126490318	813602388	/nfs/dbraw/zinc/60/23/88/813602388.db2.gz	WTMKUVPVTLRFDS-UHFFFAOYSA-N	-1	0	275.312	0.436	20	10		CCCDRM
O=C(c1cc(=O)n(-c2ccccc2)[n-]1)N1CC(CO)C1	ZINC001147885702	840702698	/nfs/dbraw/zinc/70/26/98/840702698.db2.gz	YBBYBXJCVBLABR-UHFFFAOYSA-N	-1	0	273.292	0.230	20	10		CCCDRM
O=C(Cc1nnn[n-]1)N1CCCc2cc(O)c(O)cc2C1	ZINC001176842086	842427568	/nfs/dbraw/zinc/42/75/68/842427568.db2.gz	BRJGGGRCEUZTDI-UHFFFAOYSA-N	-1	0	289.295	0.128	20	10		CCCDRM
O=C(NC[C@H]1CNC(=O)C1)c1cc(O)c([O-])c(Cl)c1	ZINC001193625061	846128253	/nfs/dbraw/zinc/12/82/53/846128253.db2.gz	DPVJSFAJSPIMAE-ZCFIWIBFSA-N	-1	0	284.699	0.617	20	10		CCCDRM
NC(=O)[C@]12C[C@H]1CCN2C(=O)c1cc(O)c([O-])c(Cl)c1	ZINC001276216287	901974718	/nfs/dbraw/zinc/97/47/18/901974718.db2.gz	QYJRELOEUBHWGZ-UHLUBPPHSA-N	-1	0	296.710	0.841	20	10		CCCDRM
COCCN(CC(=O)[O-])C(=O)Cc1ccc(O)c(O)c1	ZINC001593997005	956903202	/nfs/dbraw/zinc/90/32/02/956903202.db2.gz	VQECVMFVHPAWMH-UHFFFAOYSA-N	-1	0	283.280	0.200	20	10		CCCDRM
COc1ccc(O)c(CNC(=O)[C@@H](OC)C(=O)[O-])c1	ZINC001594106497	958471334	/nfs/dbraw/zinc/47/13/34/958471334.db2.gz	WWEDEFMTMCCCIG-SNVBAGLBSA-N	-1	0	269.253	0.117	20	10		CCCDRM
Cc1ccc(O)c(CN2CCS(=O)(=O)C[C@@H]2C(=O)[O-])c1	ZINC001594373220	958561041	/nfs/dbraw/zinc/56/10/41/958561041.db2.gz	JLBURWCTJKUUAR-LLVKDONJSA-N	-1	0	299.348	0.384	20	10		CCCDRM
O=C([O-])C1(C(=O)NCc2c(O)cccc2O)CCC1	ZINC001574633214	962308158	/nfs/dbraw/zinc/30/81/58/962308158.db2.gz	DBRYJQJVOGWCDO-UHFFFAOYSA-N	-1	0	265.265	0.969	20	10		CCCDRM
C[C@H](CC(=O)[O-])C(=O)NCc1cccc(O)c1O	ZINC001592356672	977838956	/nfs/dbraw/zinc/83/89/56/977838956.db2.gz	WRKGCHSPQQRNGD-SSDOTTSWSA-N	-1	0	253.254	0.825	20	10		CCCDRM
CC[C@H](C(=O)[O-])C(=O)NCc1cccc(O)c1O	ZINC001594755154	981664107	/nfs/dbraw/zinc/66/41/07/981664107.db2.gz	CQGOJCVIQHUQGX-QMMMGPOBSA-N	-1	0	253.254	0.825	20	10		CCCDRM
CC(C)(CS(=O)(=O)NCc1ccccc1O)C(=O)[O-]	ZINC001590820831	990657807	/nfs/dbraw/zinc/65/78/07/990657807.db2.gz	YMNWBOAPQZLDHB-UHFFFAOYSA-N	-1	0	287.337	0.922	20	10		CCCDRM
C[C@]1(C(=O)[O-])CCN(C(=O)Cc2ccc(O)c(O)c2)C1	ZINC001593787937	996504753	/nfs/dbraw/zinc/50/47/53/996504753.db2.gz	VZKSQOQESUQRTP-AWEZNQCLSA-N	-1	0	279.292	0.964	20	10		CCCDRM
C[C@H](NC(=O)c1c(F)ccc(O)c1O)C(=O)NCCF	ZINC000296362498	353943912	/nfs/dbraw/zinc/94/39/12/353943912.db2.gz	SELUZFZZSOQCNW-LURJTMIESA-N	-1	0	288.250	0.441	20	10		CCCDRM
Cc1cc([N-]S(=O)(=O)c2cnnn2C)ccc1O	ZINC000790005797	581170486	/nfs/dbraw/zinc/17/04/86/581170486.db2.gz	WKDHNPVTXQISNV-UHFFFAOYSA-N	-1	0	268.298	0.630	20	10		CCCDRM
O=C(C=Cc1ccc(O)c(O)c1)NCCc1nc(=O)o[n-]1	ZINC000790076657	581176002	/nfs/dbraw/zinc/17/60/02/581176002.db2.gz	JVMNWMRGBXGGOT-RQOWECAXSA-N	-1	0	291.263	0.146	20	10		CCCDRM
O=C([O-])Cn1ccc(NC(=O)C2=CC(=O)CS2)n1	ZINC000739919021	581634968	/nfs/dbraw/zinc/63/49/68/581634968.db2.gz	FEFNOWUJMJAIEP-UHFFFAOYSA-N	-1	0	267.266	0.987	20	10		CCCDRM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1ncc[nH]1	ZINC000731159112	581756155	/nfs/dbraw/zinc/75/61/55/581756155.db2.gz	MWIPHGKIPTVDFU-CSKARUKUSA-N	-1	0	254.249	0.871	20	10		CCCDRM
COc1ccc(O)c(CN2CCOC[C@@H]2C(=O)[O-])c1	ZINC000088382275	605241738	/nfs/dbraw/zinc/24/17/38/605241738.db2.gz	XIFNSOYPJVULDV-LLVKDONJSA-N	-1	0	267.281	0.686	20	10		CCCDRM
C[C@@H](CC(=O)NCc1ccc(O)c(O)c1)NC(=O)[O-]	ZINC000824664570	605520493	/nfs/dbraw/zinc/52/04/93/605520493.db2.gz	NCYJPVIPRFNWGT-ZETCQYMHSA-N	-1	0	268.269	0.760	20	10		CCCDRM
O=C([O-])N1CCO[C@@H](C(=O)NCc2ccc(O)c(O)c2)C1	ZINC000834049346	605546972	/nfs/dbraw/zinc/54/69/72/605546972.db2.gz	OLSKPLSADZFWJQ-LLVKDONJSA-N	-1	0	296.279	0.093	20	10		CCCDRM
O=C([O-])NCCOCC(=O)NCCc1ccc(O)c(O)c1	ZINC000834241961	605707938	/nfs/dbraw/zinc/70/79/38/605707938.db2.gz	AUYMHHDCUSFHKO-UHFFFAOYSA-N	-1	0	298.295	0.041	20	10		CCCDRM
COC(=O)CC[N@H+](CC(=O)[O-])Cc1cc(F)ccc1O	ZINC000883519734	616549581	/nfs/dbraw/zinc/54/95/81/616549581.db2.gz	AHQGSSFRWPDDBT-UHFFFAOYSA-N	-1	0	285.271	0.981	20	10		CCCDRM
C[C@@H](C(=O)N(CC(=O)[O-])Cc1ccccc1O)[NH+](C)C	ZINC000911487138	636277646	/nfs/dbraw/zinc/27/76/46/636277646.db2.gz	BMEFLGQREWHOKT-JTQLQIEISA-N	-1	0	280.324	0.756	20	10		CCCDRM
CCOCCS(=O)(=O)Nc1ccc(O)cc1C(=O)[O-]	ZINC000063153763	637203229	/nfs/dbraw/zinc/20/32/29/637203229.db2.gz	KGYBSLTXTOQIPR-UHFFFAOYSA-N	-1	0	289.309	0.869	20	10		CCCDRM
Cc1cc(C(=O)Nc2nnc(C3=S=CC=C3)[n-]2)n(C)n1	ZINC000918025919	637999814	/nfs/dbraw/zinc/99/98/14/637999814.db2.gz	SVUJUMXBVMGSAO-UHFFFAOYSA-N	-1	0	288.336	0.725	20	10		CCCDRM
NC(=O)[C@@H]1CN(Cc2ccc(F)c(F)c2[O-])CCO1	ZINC000876657496	646639287	/nfs/dbraw/zinc/63/92/87/646639287.db2.gz	GBPZZDMNPIIDKL-VIFPVBQESA-N	-1	0	272.251	0.357	20	10		CCCDRM
CN1CCN(Cc2cc(C(=O)[O-])ccc2O)CC1=O	ZINC001231559938	805815288	/nfs/dbraw/zinc/81/52/88/805815288.db2.gz	LHJOKXSORJCRDK-UHFFFAOYSA-N	-1	0	264.281	0.364	20	10		CCCDRM
[O-]c1cc(F)cc(F)c1CN1CCO[C@@H](CO)C1	ZINC001140581004	799922777	/nfs/dbraw/zinc/92/27/77/799922777.db2.gz	JXSLGQQBSVZKTM-SECBINFHSA-N	-1	0	259.252	0.864	20	10		CCCDRM
[O-]c1cc(F)cc(F)c1CN1CCO[C@H](CO)C1	ZINC001140582555	799922993	/nfs/dbraw/zinc/92/29/93/799922993.db2.gz	JXSLGQQBSVZKTM-VIFPVBQESA-N	-1	0	259.252	0.864	20	10		CCCDRM
CS(=O)(=O)C1CN(Cc2c([O-])cc(F)cc2F)C1	ZINC001140583911	799923970	/nfs/dbraw/zinc/92/39/70/799923970.db2.gz	YHGLJRIBGUPOHO-UHFFFAOYSA-N	-1	0	277.292	0.899	20	10		CCCDRM
COC[C@]1(C(=O)[O-])CCN(C(=O)Cc2ccc(N)cc2)C1	ZINC000315100950	804582896	/nfs/dbraw/zinc/58/28/96/804582896.db2.gz	HELKGHTXNZPZOY-HNNXBMFYSA-N	-1	0	292.335	0.761	20	10		CCCDRM
COC(=O)[C@H]1C[C@@H](O)CN1Cc1ccc(F)c(F)c1[O-]	ZINC001262010666	809154143	/nfs/dbraw/zinc/15/41/43/809154143.db2.gz	LQSHWTSWZLIPBF-PSASIEDQSA-N	-1	0	287.262	0.779	20	10		CCCDRM
CN1CC2(CN(Cc3c(F)ccc(F)c3[O-])C2)OCC1=O	ZINC001273206876	821040575	/nfs/dbraw/zinc/04/05/75/821040575.db2.gz	RUOMGXGGVOENIQ-UHFFFAOYSA-N	-1	0	298.289	0.713	20	10		CCCDRM
O=C(CNC(=O)c1cc(=O)[nH][n-]1)c1ccc(O)c(O)c1	ZINC001193475045	846088020	/nfs/dbraw/zinc/08/80/20/846088020.db2.gz	ATLBNLBKOJCQPJ-UHFFFAOYSA-N	-1	0	277.236	0.139	20	10		CCCDRM
O=C(c1cc(O)c([O-])c(Cl)c1)N1CCn2nncc2C1	ZINC001193612044	846122658	/nfs/dbraw/zinc/12/26/58/846122658.db2.gz	LPIJWJPRGVMLSP-UHFFFAOYSA-N	-1	0	294.698	0.999	20	10		CCCDRM
O=C([O-])[C@H](C(=O)NCc1cccc(O)c1O)C1CC1	ZINC001594834485	954018068	/nfs/dbraw/zinc/01/80/68/954018068.db2.gz	XNVUHMOYNDYLQB-JTQLQIEISA-N	-1	0	265.265	0.825	20	10		CCCDRM
CO[C@H](C(=O)[O-])C(=O)NCc1cc(C)ccc1O	ZINC001593908269	955950607	/nfs/dbraw/zinc/95/06/07/955950607.db2.gz	GVRSXIBBJWVWKM-JTQLQIEISA-N	-1	0	253.254	0.416	20	10		CCCDRM
CO[C@@](C)(C(=O)[O-])C(=O)NCc1cc(O)ccc1O	ZINC001593926164	956129975	/nfs/dbraw/zinc/12/99/75/956129975.db2.gz	WZXRHSSVQBIUCE-GFCCVEGCSA-N	-1	0	269.253	0.204	20	10		CCCDRM
C[C@](O)(C[NH2+]Cc1ccc(F)c(F)c1[O-])C(=O)[O-]	ZINC001589146500	956292502	/nfs/dbraw/zinc/29/25/02/956292502.db2.gz	FIKAKNBVVNVFGC-NSHDSACASA-N	-1	0	261.224	0.596	20	10		CCCDRM
Cc1cc(O)ccc1NS(=O)(=O)CCC(=O)[O-]	ZINC000080357610	957764988	/nfs/dbraw/zinc/76/49/88/957764988.db2.gz	WQNSTWCCRMZLQE-UHFFFAOYSA-N	-1	0	259.283	0.917	20	10		CCCDRM
CNC(=O)CN(C)c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-]	ZINC000208134790	959666819	/nfs/dbraw/zinc/66/68/19/959666819.db2.gz	VOYAQLMSXCHWMQ-XQRVVYSFSA-N	-1	0	293.279	0.875	20	10		CCCDRM
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](C)C(=O)[O-]	ZINC001609903691	970599187	/nfs/dbraw/zinc/59/91/87/970599187.db2.gz	JAROCPAGGAFRNA-YUMQZZPRSA-N	-1	0	267.281	0.866	20	10		CCCDRM
O=C([O-])[C@H]1CN(C(=O)c2c(F)ccc(O)c2O)CCO1	ZINC001606041666	973146571	/nfs/dbraw/zinc/14/65/71/973146571.db2.gz	QIEKFIFCIIIFSC-MRVPVSSYSA-N	-1	0	285.227	0.163	20	10		CCCDRM
C[C@@H]1C[C@H](C(=O)NCc2ccc(O)cc2O)O[C@H]1C(=O)[O-]	ZINC001599874976	989407378	/nfs/dbraw/zinc/40/73/78/989407378.db2.gz	KJWCOXWUROUOKY-NZXMKCKXSA-N	-1	0	295.291	0.592	20	10		CCCDRM
C[C@@H]1C[C@H](C(=O)NCc2cccc(O)c2O)O[C@H]1C(=O)[O-]	ZINC001599875396	989412030	/nfs/dbraw/zinc/41/20/30/989412030.db2.gz	SNEACARSVQPFJL-NYRNMGCKSA-N	-1	0	295.291	0.592	20	10		CCCDRM
COc1ccc(O)c(CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)c1	ZINC001599598977	993787529	/nfs/dbraw/zinc/78/75/29/993787529.db2.gz	YDCNGBOSYTVIBL-NEPJUHHUSA-N	-1	0	295.291	0.649	20	10		CCCDRM
COc1cc(C(=O)[O-])ccc1OCC(=O)C(C)=O	ZINC001599377821	998517292	/nfs/dbraw/zinc/51/72/92/998517292.db2.gz	BOWJYXVUJQVYTB-UHFFFAOYSA-N	-1	0	252.222	0.930	20	10		CCCDRM
O=C1N[C@H](c2cc([N+](=O)[O-])ccc2[O-])N2CCSC[C@@H]12	ZINC000765519435	581523661	/nfs/dbraw/zinc/52/36/61/581523661.db2.gz	YQCVHUBGKWLSOE-ONGXEEELSA-N	-1	0	295.320	0.846	20	10		CCCDRM
C[C@H](O)CN1CCN(C(=O)C2=CC(=O)CS2)CC1	ZINC000732287846	581816995	/nfs/dbraw/zinc/81/69/95/581816995.db2.gz	CEAGHWNMCZPXTH-VIFPVBQESA-N	-1	0	270.354	0.592	20	10		CCCDRM
Cc1cc(N(C)C)ccc1CNC(=O)CNC(=O)[O-]	ZINC000738232269	582031031	/nfs/dbraw/zinc/03/10/31/582031031.db2.gz	ZJEOGPQUVBHAOJ-UHFFFAOYSA-N	-1	0	265.313	0.945	20	10		CCCDRM
O=C([O-])CSCC(=O)NCc1ccc(O)c(O)c1	ZINC000821536809	598209648	/nfs/dbraw/zinc/20/96/48/598209648.db2.gz	INGUFJJWKPCILL-UHFFFAOYSA-N	-1	0	271.294	0.532	20	10		CCCDRM
COc1cccc(CN2CCO[C@H](C(=O)[O-])C2)c1O	ZINC000086805392	604628600	/nfs/dbraw/zinc/62/86/00/604628600.db2.gz	NAYJPAZPZKOLES-NSHDSACASA-N	-1	0	267.281	0.686	20	10		CCCDRM
O=C([O-])N1CCO[C@@H](C(=O)NCc2ccccc2O)C1	ZINC000831720515	605286624	/nfs/dbraw/zinc/28/66/24/605286624.db2.gz	YRGVEDIKNNGDDW-LLVKDONJSA-N	-1	0	280.280	0.387	20	10		CCCDRM
O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)NCc1ccccc1O	ZINC000831720065	605827541	/nfs/dbraw/zinc/82/75/41/605827541.db2.gz	PGPDTYUEDFHPSD-VHSXEESVSA-N	-1	0	280.280	0.122	20	10		CCCDRM
COc1ccc(N2CC[C@H](CN=c3nn[n-]n3C)C2)cc1	ZINC000819937136	617267979	/nfs/dbraw/zinc/26/79/79/617267979.db2.gz	ZYPGLVRYZIIORR-LLVKDONJSA-N	-1	0	288.355	0.579	20	10		CCCDRM
COc1ccc(O)c(CNC(=O)NCCC(=O)[O-])c1	ZINC000818603470	617272704	/nfs/dbraw/zinc/27/27/04/617272704.db2.gz	UUXLIRXDPJYKNJ-UHFFFAOYSA-N	-1	0	268.269	0.675	20	10		CCCDRM
COc1cccc(O)c1CN1CCO[C@@H](C(=O)[O-])C1	ZINC000820870932	617305243	/nfs/dbraw/zinc/30/52/43/617305243.db2.gz	JHTYWLJJBWXSHG-GFCCVEGCSA-N	-1	0	267.281	0.686	20	10		CCCDRM
CC(=O)NCC[N@H+](Cc1cccc(F)c1[O-])[C@@H](C)C(=O)[O-]	ZINC000819779933	613737812	/nfs/dbraw/zinc/73/78/12/613737812.db2.gz	AWNWLKUYEJNTDJ-VIFPVBQESA-N	-1	0	298.314	0.943	20	10		CCCDRM
CCn1[nH]c(C)nc1=NC(=O)c1c(F)ccc(O)c1[O-]	ZINC000839905464	615908795	/nfs/dbraw/zinc/90/87/95/615908795.db2.gz	XKPRDSKPJDAIDG-UHFFFAOYSA-N	-1	0	280.259	0.831	20	10		CCCDRM
CN(Cc1cc(F)cc(F)c1[O-])C1CS(=O)(=O)C1	ZINC000895398815	616165055	/nfs/dbraw/zinc/16/50/55/616165055.db2.gz	CYRFSXQFEZRUHS-UHFFFAOYSA-N	-1	0	277.292	0.899	20	10		CCCDRM
O=C([O-])CN(Cc1ccccc1O)C(=O)[C@@H]1COCCO1	ZINC000911487050	636277110	/nfs/dbraw/zinc/27/71/10/636277110.db2.gz	SMJOEIZWELAVKU-LBPRGKRZSA-N	-1	0	295.291	0.221	20	10		CCCDRM
NC(=O)NCC(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000807833606	640836400	/nfs/dbraw/zinc/83/64/00/640836400.db2.gz	BWTRVWJWQVUUBL-UHFFFAOYSA-N	-1	0	292.122	0.984	20	10		CCCDRM
C[C@@H](C(=O)[O-])C(=O)NCc1ccc(N2CCOCC2)cc1	ZINC000842555274	642911096	/nfs/dbraw/zinc/91/10/96/642911096.db2.gz	QYRGYDKZRKUTML-LLVKDONJSA-N	-1	0	292.335	0.860	20	10		CCCDRM
Cc1nnc(NNC(=S)Nc2ccc(F)cc2)[n-]c1=O	ZINC000011045714	648329122	/nfs/dbraw/zinc/32/91/22/648329122.db2.gz	JGYKNVCFSVCFQY-UHFFFAOYSA-N	-1	0	294.315	0.926	20	10		CCCDRM
NC(=O)[C@@H]1CN(Cc2cc(F)cc(Cl)c2[O-])CCO1	ZINC001237806964	806719601	/nfs/dbraw/zinc/71/96/01/806719601.db2.gz	XOVGTUGFXXXMJH-JTQLQIEISA-N	-1	0	288.706	0.871	20	10		CCCDRM
O=C(C[N-]C(=O)C(F)(F)F)c1ccc(O)c(O)c1	ZINC001142767760	800156161	/nfs/dbraw/zinc/15/61/61/800156161.db2.gz	ANSUHFPUSONKDL-UHFFFAOYSA-N	-1	0	263.171	0.959	20	10		CCCDRM
CN1CCN(C(=O)c2cc(O)c(O)c(O)c2)CC1	ZINC000586736960	809538222	/nfs/dbraw/zinc/53/82/22/809538222.db2.gz	VEYAJBDPEQBBMK-UHFFFAOYSA-N	-1	0	252.270	0.191	20	10		CCCDRM
O=C(C=Cc1ccc(O)c(O)c1)N[C@@H]1SC(=O)[N-]C1=O	ZINC001179689238	843033439	/nfs/dbraw/zinc/03/34/39/843033439.db2.gz	FYBCFAPDZYQWDC-JRBALWBOSA-N	-1	0	294.288	0.536	20	10		CCCDRM
CC(C)(CNC(=O)c1cc(O)c([O-])c(Cl)c1)C(N)=O	ZINC001193626724	846129539	/nfs/dbraw/zinc/12/95/39/846129539.db2.gz	ZLYDTEFYSUNASJ-UHFFFAOYSA-N	-1	0	286.715	0.993	20	10		CCCDRM
CCC(CO)(CO)NC(=O)c1cc(O)c([O-])c(Cl)c1	ZINC001193625896	846130228	/nfs/dbraw/zinc/13/02/28/846130228.db2.gz	OMGFRNUPMNPLGM-UHFFFAOYSA-N	-1	0	289.715	0.614	20	10		CCCDRM
CN1C[C@@H]2CN(Cc3cc(C(=O)[O-])ccc3O)C[C@H](C1)O2	ZINC001276056464	848911559	/nfs/dbraw/zinc/91/15/59/848911559.db2.gz	ZBEJWHFOBUDEMB-BETUJISGSA-N	-1	0	292.335	0.605	20	10		CCCDRM
CO[C@@H](C(=O)[O-])C(=O)NCc1cccc(Cl)c1O	ZINC001593909465	955960668	/nfs/dbraw/zinc/96/06/68/955960668.db2.gz	XUINMPAFCICUFH-SECBINFHSA-N	-1	0	273.672	0.761	20	10		CCCDRM
Cc1ccc(C(=O)N2CCOC[C@@H]2C(=O)[O-])c(O)c1O	ZINC001594344363	958316057	/nfs/dbraw/zinc/31/60/57/958316057.db2.gz	XQWUABCCNGXZQI-SECBINFHSA-N	-1	0	281.264	0.332	20	10		CCCDRM
CC(=O)C(=O)COC(=O)C1(C(=O)[O-])CCSCC1	ZINC001588485834	958606971	/nfs/dbraw/zinc/60/69/71/958606971.db2.gz	LXOBIQJOUASCLR-UHFFFAOYSA-N	-1	0	274.294	0.286	20	10		CCCDRM
C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NCc1cccc(O)c1O	ZINC001594228220	959451733	/nfs/dbraw/zinc/45/17/33/959451733.db2.gz	QGWMULYUCNQZIB-UHLUBPPHSA-N	-1	0	265.265	0.825	20	10		CCCDRM
C[C@@H](CC(=O)[O-])C(=O)NCCc1ccc(O)c(O)c1	ZINC001592356238	977834946	/nfs/dbraw/zinc/83/49/46/977834946.db2.gz	HQSKCFNTKWAWRL-QMMMGPOBSA-N	-1	0	267.281	0.867	20	10		CCCDRM
C[C@H](Sc1ncc(C(=O)[O-])s1)C(=O)NC(N)=O	ZINC001593678962	996096328	/nfs/dbraw/zinc/09/63/28/996096328.db2.gz	CKJZLYXOLNUWAV-VKHMYHEASA-N	-1	0	275.311	0.517	20	10		CCCDRM
O=S1(=O)CCCN(Cc2cc3c(cc2O)OCO3)CC1	ZINC000225270381	333234489	/nfs/dbraw/zinc/23/44/89/333234489.db2.gz	QELHCZBLYOLQGT-UHFFFAOYSA-N	-1	0	299.348	0.741	20	10		CCCDRM
Cc1ccc(C(=O)OCC(=O)NCCC(=O)[O-])c(O)c1O	ZINC000738546378	581526512	/nfs/dbraw/zinc/52/65/12/581526512.db2.gz	WOJHCNPQYNNIQD-UHFFFAOYSA-N	-1	0	297.263	0.154	20	10		CCCDRM
C[C@H](N=c1nn[n-]n1C)c1ccc(N2CCOCC2)cc1	ZINC000730804950	581736787	/nfs/dbraw/zinc/73/67/87/581736787.db2.gz	OEILCZOOQCWXRL-NSHDSACASA-N	-1	0	288.355	0.642	20	10		CCCDRM
COc1cccc(CN2CCOC[C@H]2C(=O)[O-])c1O	ZINC000088381643	604641003	/nfs/dbraw/zinc/64/10/03/604641003.db2.gz	JYEBVNBXAXMINO-JTQLQIEISA-N	-1	0	267.281	0.686	20	10		CCCDRM
CN(CCOCC(=O)[O-])c1ccc2c(c1)OCO2	ZINC000846252415	616114705	/nfs/dbraw/zinc/11/47/05/616114705.db2.gz	YIPPZRFDUSBJTR-UHFFFAOYSA-N	-1	0	253.254	0.953	20	10		CCCDRM
CN(CCS(N)(=O)=O)Cc1ccc(F)c(F)c1[O-]	ZINC000877826131	616121347	/nfs/dbraw/zinc/12/13/47/616121347.db2.gz	QPBBPUCQOHQFJS-UHFFFAOYSA-N	-1	0	280.296	0.391	20	10		CCCDRM
CN(Cc1ccccc1O)C(=O)[C@H]1COCCN1C(=O)[O-]	ZINC000828399920	616170883	/nfs/dbraw/zinc/17/08/83/616170883.db2.gz	JRHLVKLBHJNABP-LLVKDONJSA-N	-1	0	294.307	0.729	20	10		CCCDRM
C[C@H](O)C(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O	ZINC000911359555	636235560	/nfs/dbraw/zinc/23/55/60/636235560.db2.gz	AHOHNGPYAAYVFP-ZETCQYMHSA-N	-1	0	287.699	0.840	20	10		CCCDRM
COC(=O)[C@@H]1CCN1Cc1ccc(C(=O)[O-])cc1O	ZINC001231445916	805803491	/nfs/dbraw/zinc/80/34/91/805803491.db2.gz	CMFPDODCJBAFPF-JTQLQIEISA-N	-1	0	265.265	0.838	20	10		CCCDRM
NC(=O)[C@@H]1CN(Cc2c(F)ccc(F)c2[O-])CCO1	ZINC001139686369	799830202	/nfs/dbraw/zinc/83/02/02/799830202.db2.gz	WKYCDWIRYYBWRW-JTQLQIEISA-N	-1	0	272.251	0.357	20	10		CCCDRM
NC(=O)[C@@H]1CN(Cc2c([O-])cc(F)cc2F)CCO1	ZINC001140583284	799923565	/nfs/dbraw/zinc/92/35/65/799923565.db2.gz	CTDVRTAZVMWZDF-NSHDSACASA-N	-1	0	272.251	0.357	20	10		CCCDRM
Nc1ccc(CC(=O)N[C@@H]2SC(=O)[N-]C2=O)cc1	ZINC001219904463	804444012	/nfs/dbraw/zinc/44/40/12/804444012.db2.gz	WTVHWRYXHIXHGX-SNVBAGLBSA-N	-1	0	265.294	0.237	20	10		CCCDRM
CO[N-]C(=O)CNC(=O)N[C@@H](C)c1cc(OC)ccc1O	ZINC001251349950	807680433	/nfs/dbraw/zinc/68/04/33/807680433.db2.gz	JXGHOHBFKYVVKN-QMMMGPOBSA-N	-1	0	297.311	0.439	20	10		CCCDRM
C[C@@H]1CCc2sc([N-]S(N)(=O)=O)c(C(N)=O)c2C1	ZINC001260075676	808841637	/nfs/dbraw/zinc/84/16/37/808841637.db2.gz	KGQLWNIMXZZAKI-RXMQYKEDSA-N	-1	0	289.382	0.587	20	10		CCCDRM
O=C([O-])c1cncc(NCC(=O)c2ccc(O)c(O)c2)n1	ZINC001170316899	837300944	/nfs/dbraw/zinc/30/09/44/837300944.db2.gz	UPIDAAPJXOQHQD-UHFFFAOYSA-N	-1	0	289.247	0.881	20	10		CCCDRM
CN1CC(NC(=O)c2cc(=O)n(-c3ccccc3)[n-]2)C1	ZINC001147889362	840705064	/nfs/dbraw/zinc/70/50/64/840705064.db2.gz	HRANVISIZBVHIX-UHFFFAOYSA-N	-1	0	272.308	0.210	20	10		CCCDRM
C[C@@H](NCc1cc([N+](=O)[O-])ccc1[O-])c1nnnn1C	ZINC001179733797	843040887	/nfs/dbraw/zinc/04/08/87/843040887.db2.gz	KMFUHIKFLPBLST-SSDOTTSWSA-N	-1	0	278.272	0.675	20	10		CCCDRM
O=S(=O)(c1ncc[n-]1)N1CCc2cccc(O)c2C1	ZINC001190715526	845462253	/nfs/dbraw/zinc/46/22/53/845462253.db2.gz	XNMGPYQJJBMHEA-UHFFFAOYSA-N	-1	0	279.321	0.862	20	10		CCCDRM
[O-]c1c(F)ccc(F)c1CN1CCOC[C@@H](O)C1	ZINC001139684791	855698744	/nfs/dbraw/zinc/69/87/44/855698744.db2.gz	LJQFENGOJYNMDU-QMMMGPOBSA-N	-1	0	259.252	0.864	20	10		CCCDRM
O=C(C=Cc1ccc(O)c(O)c1)NCc1nc(=O)o[n-]1	ZINC001323570927	912421271	/nfs/dbraw/zinc/42/12/71/912421271.db2.gz	VTVQLFXGDMISRN-DUXPYHPUSA-N	-1	0	277.236	0.104	20	10		CCCDRM
CCNC(=O)CN(CC(=O)[O-])c1ccc(OC)cc1	ZINC000200740687	894975750	/nfs/dbraw/zinc/97/57/50/894975750.db2.gz	QGGNAJICWBPPJR-UHFFFAOYSA-N	-1	0	266.297	0.722	20	10		CCCDRM
C[C@@H](CN(C)C(=O)c1cccc(O)c1O)C(=O)[O-]	ZINC000126011784	958576868	/nfs/dbraw/zinc/57/68/68/958576868.db2.gz	LHXIMPLPWQTSKW-ZETCQYMHSA-N	-1	0	253.254	0.891	20	10		CCCDRM
C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NCc1cc(O)ccc1O	ZINC001594225874	959425583	/nfs/dbraw/zinc/42/55/83/959425583.db2.gz	ALTKUNRYMVJZOC-UHLUBPPHSA-N	-1	0	265.265	0.825	20	10		CCCDRM
O=C([O-])[C@@]1(C(=O)NCc2ccc(O)c(O)c2)CCCO1	ZINC001605930837	972857702	/nfs/dbraw/zinc/85/77/02/972857702.db2.gz	KNYQVAFWUUHPQP-ZDUSSCGKSA-N	-1	0	281.264	0.348	20	10		CCCDRM
CN(C)c1ccc2c(c1)OCCN2C(=O)CC(=O)[O-]	ZINC001598333476	991373225	/nfs/dbraw/zinc/37/32/25/991373225.db2.gz	GLMQMIRUGKSLEF-UHFFFAOYSA-N	-1	0	264.281	0.953	20	10		CCCDRM
COC[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C(=O)[O-]	ZINC001599175531	996836264	/nfs/dbraw/zinc/83/62/64/996836264.db2.gz	SWFAKWGUYHSBBR-VIFPVBQESA-N	-1	0	294.267	0.678	20	10		CCCDRM