smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCCCCCCC[C@H]1NC(=S)NC([O-])=C1C#N	ZINC000104212270	432015225	/nfs/dbraw/zinc/01/52/25/432015225.db2.gz	BRBYBXAEVFZZFR-UONOGXRCSA-N	-1	0	309.479	3.420	40	30		DGEBRM
CC(C)(C)NC(=S)N/N=C\c1cc(Cl)cc(Cl)c1[O-]	ZINC000104213939	432015710	/nfs/dbraw/zinc/01/57/10/432015710.db2.gz	FMHHGGZNRDAEIY-UUASQNMZSA-N	-1	0	320.245	3.296	40	30		DGEBRM
COc1cc(/C=C/C(=O)c2cc(F)ccc2[O-])cc(OC)c1O	ZINC000016159383	182036158	/nfs/dbraw/zinc/03/61/58/182036158.db2.gz	HGASVACQEFKUBG-HWKANZROSA-N	-1	0	318.300	3.150	40	30		DGEBRM
COc1cccc(/C=C/C(=O)C(C(=O)[O-])=C2SCCS2)c1	ZINC000062716074	257128828	/nfs/dbraw/zinc/12/88/28/257128828.db2.gz	KIOIKIXHHWQIIG-AATRIKPKSA-N	-1	0	322.407	3.054	40	30		DGEBRM
COc1ccc(/N=C\c2cccn2-c2cccc(C(=O)[O-])c2)cn1	ZINC000409106778	533251699	/nfs/dbraw/zinc/25/16/99/533251699.db2.gz	UHHVEBJLNPWILF-UNOMPAQXSA-N	-1	0	321.336	3.330	40	30		DGEBRM
CC(C)c1ccc(S(=O)(=O)[N-]c2ccccc2C#N)cc1	ZINC000007056924	431332137	/nfs/dbraw/zinc/33/21/37/431332137.db2.gz	WXPCOUBJCQZULG-UHFFFAOYSA-N	-1	0	300.383	3.482	40	30		DGEBRM
Cc1ccc(NC(=O)COc2ccc(/C=N/O)cc2Cl)cc1	ZINC000409225905	434596888	/nfs/dbraw/zinc/59/68/88/434596888.db2.gz	SNTPOEVGQONRPK-GIJQJNRQSA-N	-1	0	318.760	3.474	40	30		DGEBRM
O=C([O-])c1ccc(-c2ccc(CN=Nc3ccccn3)o2)cc1	ZINC000408731262	434592591	/nfs/dbraw/zinc/59/25/91/434592591.db2.gz	ZSWZLJLDLWTLFM-ODLFYWEKSA-N	-1	0	307.309	3.486	40	30		DGEBRM
COc1cc(/C=C2\Cc3ccccc3C2=O)c([O-])c([N+](=O)[O-])c1	ZINC000409370754	434599879	/nfs/dbraw/zinc/59/98/79/434599879.db2.gz	DRKQIXNYZKSXCV-YRNVUSSQSA-N	-1	0	311.293	3.131	40	30		DGEBRM
Cc1ccc(NC(=O)COc2ccccc2/C=N\[O-])cc1Cl	ZINC000409266001	434600158	/nfs/dbraw/zinc/60/01/58/434600158.db2.gz	VPYWIYUIPNWNML-NVMNQCDNSA-N	-1	0	318.760	3.474	40	30		DGEBRM
Cc1ccccc1NC(=O)COc1ccc(Cl)cc1/C=N\[O-]	ZINC000409253627	434600326	/nfs/dbraw/zinc/60/03/26/434600326.db2.gz	XMDILZMJNGLCPP-NVMNQCDNSA-N	-1	0	318.760	3.474	40	30		DGEBRM
Cc1ccc(C)c(CN=Nc2ccc([N+](=O)[O-])cc2C(=O)[O-])c1	ZINC000584578167	337367518	/nfs/dbraw/zinc/36/75/18/337367518.db2.gz	BDNOVXWTCPULEG-RQZCQDPDSA-N	-1	0	313.313	3.356	40	30		DGEBRM
COc1ccccc1CN1c2ccc(Cl)cc2/C(=N/[O-])C1=O	ZINC000101101958	1176282725	/nfs/dbraw/zinc/28/27/25/1176282725.db2.gz	FFJWXDDUVNMVQX-SDXDJHTJSA-N	-1	0	316.744	3.074	40	30		DGEBRM
C=CCOc1ccccc1CN1c2cccc(C)c2/C(=N/[O-])C1=O	ZINC000046085118	1194353109	/nfs/dbraw/zinc/35/31/09/1194353109.db2.gz	VLWLASDJZAOSCM-ZZEZOPTASA-N	-1	0	322.364	3.285	40	30		DGEBRM
C=CCSc1nc2ccc(NC(=O)/C=C/C(=O)[O-])cc2s1	ZINC000001573704	180874499	/nfs/dbraw/zinc/87/44/99/180874499.db2.gz	SKAXQXINMWLJQQ-AATRIKPKSA-N	-1	0	320.395	3.154	40	30		DGEBRM
N#Cc1c2[nH]c3ccccc3n2c(=O)c(-c2ccccc2)c1[O-]	ZINC000104230910	283081834	/nfs/dbraw/zinc/08/18/34/283081834.db2.gz	GYTCITTXUMWZDB-UHFFFAOYSA-N	-1	0	301.305	3.025	40	30		DGEBRM
O=S(=O)([O-])c1ccc(NN=Cc2ccc(Cl)cc2)cc1	ZINC000005252489	181222432	/nfs/dbraw/zinc/22/24/32/181222432.db2.gz	SNVRZMXYRZSEAX-OQLLNIDSSA-N	-1	0	310.762	3.033	40	30		DGEBRM
CCOC(=O)c1ccc(/N=C\C(Cl)=C(\Cl)C(=O)[O-])cc1	ZINC000005410721	181240129	/nfs/dbraw/zinc/24/01/29/181240129.db2.gz	RFKQBCRSEOQRNQ-QROVAJIDSA-N	-1	0	316.140	3.339	40	30		DGEBRM
CC(C)=CC(O)=CC(=O)C(=O)Nc1ccc(Cl)c(Cl)c1	ZINC000005500519	181250360	/nfs/dbraw/zinc/25/03/60/181250360.db2.gz	IMNDSGZTCQEOTJ-UHFFFAOYSA-N	-1	0	314.168	3.426	40	30		DGEBRM
O=C([O-])C(C(=O)/C=C/c1ccco1)=C1SCCCCS1	ZINC000005770269	181282107	/nfs/dbraw/zinc/28/21/07/181282107.db2.gz	UVOKXQIVSWWFRI-AATRIKPKSA-N	-1	0	310.396	3.418	40	30		DGEBRM
CCC(=O)Nc1ccc(/N=C/c2cccc([N+](=O)[O-])c2[O-])cc1	ZINC000005950743	181300224	/nfs/dbraw/zinc/30/02/24/181300224.db2.gz	LZMPZCBKSDUUJS-LICLKQGHSA-N	-1	0	313.313	3.400	40	30		DGEBRM
C=CCOc1c(OCC)cc(Br)cc1C(=O)[O-]	ZINC000225281857	201693082	/nfs/dbraw/zinc/69/30/82/201693082.db2.gz	STPZYNNPJBTODQ-UHFFFAOYSA-N	-1	0	301.136	3.111	40	30		DGEBRM
O=C([O-])C(C(=O)/C=C/c1ccccc1)=C1SCCCS1	ZINC000062716084	257128813	/nfs/dbraw/zinc/12/88/13/257128813.db2.gz	XHDOXLARTGEXPT-BQYQJAHWSA-N	-1	0	306.408	3.435	40	30		DGEBRM
O=C1C(=Cc2ccccc2)C(=O)C(CCc2ccccc2)=C1O	ZINC000001610561	431232665	/nfs/dbraw/zinc/23/26/65/431232665.db2.gz	RIIOFXCSIBZUIM-UDLNKVAWSA-N	-1	0	304.345	3.040	40	30		DGEBRM
C[C@@H](Oc1ccc(/C=N\c2ccc(N(C)C)cc2)cc1)C(=O)[O-]	ZINC000408854318	434594135	/nfs/dbraw/zinc/59/41/35/434594135.db2.gz	CLCBSLOCBDIZNI-CQLSMYGBSA-N	-1	0	312.369	3.355	40	30		DGEBRM
C/C(=N\c1ccc(C(=O)[O-])c(O)c1)c1cc2ccccc2oc1=O	ZINC000005371077	518471795	/nfs/dbraw/zinc/47/17/95/518471795.db2.gz	ZWCJPFYJURFFQO-VXLYETTFSA-N	-1	0	323.304	3.338	40	30		DGEBRM
Cc1cc([N+](=O)[O-])cc(/C=N/c2ccc3c(c2)OCCO3)c1[O-]	ZINC000035189308	525556400	/nfs/dbraw/zinc/55/64/00/525556400.db2.gz	DJLDVGXNCRIAHI-RQZCQDPDSA-N	-1	0	314.297	3.131	40	30		DGEBRM
CCCCCCCCCCC[C@H]1NC(=S)NC([O-])=C1C#N	ZINC000104212281	432015953	/nfs/dbraw/zinc/01/59/53/432015953.db2.gz	BRBYBXAEVFZZFR-ZIAGYGMSSA-N	-1	0	309.479	3.420	40	30		DGEBRM
O=S(=O)([O-])c1ccc(NN=Cc2ccccc2Cl)cc1	ZINC000004743946	181146205	/nfs/dbraw/zinc/14/62/05/181146205.db2.gz	NAZCPLPRPAIURC-OQLLNIDSSA-N	-1	0	310.762	3.033	40	30		DGEBRM
COc1cc(/C=C\C(=O)c2ccccc2[O-])cc(OC)c1OC	ZINC000005665623	181269470	/nfs/dbraw/zinc/26/94/70/181269470.db2.gz	SRSBUHVXNLHWHU-HJWRWDBZSA-N	-1	0	314.337	3.314	40	30		DGEBRM
CCc1n[n-]c(=S)n1N=Cc1ccc(N(CC)CC)cc1	ZINC000006473904	181343378	/nfs/dbraw/zinc/34/33/78/181343378.db2.gz	WSQSMLFXNBLUCS-LFIBNONCSA-N	-1	0	303.435	3.231	40	30		DGEBRM
N#C[C@@H](C(=N/O)/C(=N\[O-])[C@@H](C#N)c1ccccc1)c1ccccc1	ZINC000016957358	182066355	/nfs/dbraw/zinc/06/63/55/182066355.db2.gz	QMGCWINKDOTCDD-DBQKBQSMSA-N	-1	0	318.336	3.262	40	30		DGEBRM
COc1ccc(/N=C/c2cc(OC)c([O-])c([N+](=O)[O-])c2)cc1	ZINC000008116445	400119504	/nfs/dbraw/zinc/11/95/04/400119504.db2.gz	BEUYOZUBBADBFL-CXUHLZMHSA-N	-1	0	302.286	3.068	40	30		DGEBRM
N=C1SC(=Cc2ccc([N+](=O)[O-])o2)C([O-])=C1c1nccs1	ZINC000108154601	400342081	/nfs/dbraw/zinc/34/20/81/400342081.db2.gz	YONBHCSRIAXZOB-KVPDXGKUSA-N	-1	0	321.339	3.062	40	30		DGEBRM
CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2C(=O)[O-]	ZINC000003106501	431282129	/nfs/dbraw/zinc/28/21/29/431282129.db2.gz	PORLNLKSSGINMP-UHFFFAOYSA-N	-1	0	318.369	3.004	40	30		DGEBRM
Cc1ccc2[nH]c(C(C#N)=Nc3cc([N+](=O)[O-])ccc3[O-])nc2c1	ZINC000020001500	431623202	/nfs/dbraw/zinc/62/32/02/431623202.db2.gz	QOVHNSNXLCMPSJ-NBVRZTHBSA-N	-1	0	321.296	3.130	40	30		DGEBRM
CC(=NNc1ccccc1C)/C(=N\[O-])C(=O)Nc1ccccc1	ZINC000100688067	431982632	/nfs/dbraw/zinc/98/26/32/431982632.db2.gz	OTJSZWIHSXVXSB-CIBLBRIJSA-N	-1	0	310.357	3.252	40	30		DGEBRM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1cccc([N+](=O)[O-])c1	ZINC000408740434	434592801	/nfs/dbraw/zinc/59/28/01/434592801.db2.gz	KPAMYXKFPGQYJD-GYKGCMEESA-N	-1	0	322.324	3.336	40	30		DGEBRM
O=C([O-])c1ccc(COc2ccc(/C=N/O)cc2Cl)cc1	ZINC000409066450	434595955	/nfs/dbraw/zinc/59/59/55/434595955.db2.gz	OSQXNMRLUFNSFL-CAOOACKPSA-N	-1	0	305.717	3.425	40	30		DGEBRM
COc1cccc(/C=N/c2ccc(C#N)cc2)c1O[C@H](C)C(=O)[O-]	ZINC000409233507	434596980	/nfs/dbraw/zinc/59/69/80/434596980.db2.gz	SPCNYOHUGLKTBG-ZICWZVMQSA-N	-1	0	324.336	3.169	40	30		DGEBRM
Cc1ccc(C(=O)[O-])cc1/N=C/c1ccc(N2CCOCC2)cc1	ZINC000409089557	434598551	/nfs/dbraw/zinc/59/85/51/434598551.db2.gz	OAIOCTOWRXVJAY-DEDYPNTBSA-N	-1	0	324.380	3.280	40	30		DGEBRM
CCn1c(=O)c(/C=N/c2cccc(OC)c2)c([O-])c2ccccc21	ZINC000006176669	181317658	/nfs/dbraw/zinc/31/76/58/181317658.db2.gz	RWTAHQSDMSHCAR-UDWIEESQSA-N	-1	0	322.364	3.486	40	30		DGEBRM
COc1cccc(/C=N/c2cccc(F)c2)c1O[C@H](C)C(=O)[O-]	ZINC000409245371	533390102	/nfs/dbraw/zinc/39/01/02/533390102.db2.gz	RSNRXZYGJNEUQK-VURRPDKYSA-N	-1	0	317.316	3.437	40	30		DGEBRM
N=C1SC(=Cc2cccc(O)c2)C([O-])=C1c1nccs1	ZINC000138169315	400595957	/nfs/dbraw/zinc/59/59/57/400595957.db2.gz	ROHFSZUDRPZKDC-NDWBMXITSA-N	-1	0	302.380	3.267	40	30		DGEBRM
N=C1SC(=Cc2ccc([N+](=O)[O-])o2)C([O-])=C1c1nccs1	ZINC000137753636	400596383	/nfs/dbraw/zinc/59/63/83/400596383.db2.gz	YONBHCSRIAXZOB-COPVHWNLSA-N	-1	0	321.339	3.062	40	30		DGEBRM
COc1cc(/C=N\C2CCCCC2)ccc1O[C@H](C)C(=O)[O-]	ZINC000409014718	229634106	/nfs/dbraw/zinc/63/41/06/229634106.db2.gz	YGBTYNIVIUKIKI-OTWJJXBCSA-N	-1	0	305.374	3.299	40	30		DGEBRM
COc1ccc(C(=O)/C=C\c2ccc(OCC(=O)[O-])cc2)cc1	ZINC000031870930	431769522	/nfs/dbraw/zinc/76/95/22/431769522.db2.gz	QAPTYDCXRZEIMB-WCIBSUBMSA-N	-1	0	312.321	3.055	40	30		DGEBRM
COc1cc2c(cc1/C=N/c1cc(C(=O)[O-])ccc1C)OCO2	ZINC000409067117	434594893	/nfs/dbraw/zinc/59/48/93/434594893.db2.gz	NVTRZNAQISEAFD-QGMBQPNBSA-N	-1	0	313.309	3.181	40	30		DGEBRM
COc1cccc(/C=N/c2ccc(F)cc2)c1O[C@H](C)C(=O)[O-]	ZINC000409247931	434600226	/nfs/dbraw/zinc/60/02/26/434600226.db2.gz	IQNHRSRRKWTZLK-VURRPDKYSA-N	-1	0	317.316	3.437	40	30		DGEBRM
COc1cc(/C=N/c2ccc(Cl)cn2)c([O-])c([N+](=O)[O-])c1	ZINC000035189283	521999525	/nfs/dbraw/zinc/99/95/25/521999525.db2.gz	BPJGBPAEHYAPPJ-GIDUJCDVSA-N	-1	0	307.693	3.108	40	30		DGEBRM
Cc1ccc(OCCCN2c3cccc(C)c3/C(=N/[O-])C2=O)cc1	ZINC000046084964	1194353580	/nfs/dbraw/zinc/35/35/80/1194353580.db2.gz	PSIIVIRDYGOKEP-ZZEZOPTASA-N	-1	0	324.380	3.297	40	30		DGEBRM
O=C([O-])C#CC1(O)CCC(c2ccccc2)(c2ccccc2)CC1	ZINC000003844258	304024508	/nfs/dbraw/zinc/02/45/08/304024508.db2.gz	JMSXKMQCQWTJGU-UHFFFAOYSA-N	-1	0	320.388	3.366	40	30		DGEBRM
COc1ccc(/C=C/C(=O)c2c([O-])cc(OC)cc2O)cc1	ZINC000004252563	181088505	/nfs/dbraw/zinc/08/85/05/181088505.db2.gz	NXHNEWMDVUHUCV-VMPITWQZSA-N	-1	0	300.310	3.011	40	30		DGEBRM
COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(C#N)cc1	ZINC000022259035	182315990	/nfs/dbraw/zinc/31/59/90/182315990.db2.gz	WLLYOMSQMWTXHK-UHFFFAOYSA-N	-1	0	322.773	3.021	40	30		DGEBRM
Cc1ccc(/C=C/C(=O)C(C(=O)[O-])=C2SCCS2)cc1	ZINC000001086411	256514033	/nfs/dbraw/zinc/51/40/33/256514033.db2.gz	JDCHJFGOGXEBJH-VOTSOKGWSA-N	-1	0	306.408	3.354	40	30		DGEBRM
COC(=O)c1ccc(/N=C/c2cc(C)cc([N+](=O)[O-])c2[O-])cc1	ZINC000003148065	292006569	/nfs/dbraw/zinc/00/65/69/292006569.db2.gz	NQTMOYIHCDAZAM-RQZCQDPDSA-N	-1	0	314.297	3.146	40	30		DGEBRM
Cc1ccc(OCCCN2c3ccc(C)cc3/C(=N/[O-])C2=O)cc1	ZINC000101101672	226884372	/nfs/dbraw/zinc/88/43/72/226884372.db2.gz	OHXFHCIHFHFZAK-ZZEZOPTASA-N	-1	0	324.380	3.297	40	30		DGEBRM
CC(C)(C)c1[n-]c2ccc(Br)cc2c(=O)c1C#N	ZINC000040448550	275534193	/nfs/dbraw/zinc/53/41/93/275534193.db2.gz	HQCGRLUWYHJYLO-UHFFFAOYSA-N	-1	0	305.175	3.460	40	30		DGEBRM
COc1ccccc1C=Nn1c(=S)[n-]nc1-c1ccccc1	ZINC000001240468	431217801	/nfs/dbraw/zinc/21/78/01/431217801.db2.gz	KOCCIGOOMYPEDU-BOPFTXTBSA-N	-1	0	310.382	3.498	40	30		DGEBRM
Oc1ccc(C=Nn2c(=S)[n-]nc2C2CCCCC2)c(O)c1	ZINC000001307728	431220825	/nfs/dbraw/zinc/22/08/25/431220825.db2.gz	FZOSBVTXMFUPRU-SXGWCWSVSA-N	-1	0	318.402	3.282	40	30		DGEBRM
CC(=O)c1cccc(N=Cc2ccc(O[C@@H](C)C(=O)[O-])cc2)c1	ZINC000039557359	431855798	/nfs/dbraw/zinc/85/57/98/431855798.db2.gz	LJDFBNXNFQJNDF-MDBUFAAASA-N	-1	0	311.337	3.492	40	30		DGEBRM
Cc1ccc(C(=O)[O-])cc1N/N=C1\Sc2ccccc2C1=O	ZINC000100930339	431982977	/nfs/dbraw/zinc/98/29/77/431982977.db2.gz	UZRDCNKVQADXCH-SDXDJHTJSA-N	-1	0	312.350	3.407	40	30		DGEBRM
O=c1oc2ccccc2c([O-])c1C=Nc1ccc(F)c(F)c1	ZINC000101502173	431984844	/nfs/dbraw/zinc/98/48/44/431984844.db2.gz	QHXFUBQXLZTECP-DHZHZOJOSA-N	-1	0	301.248	3.063	40	30		DGEBRM
COc1cc(/C=N/c2ccc(F)cc2)ccc1O[C@H](C)C(=O)[O-]	ZINC000409020362	434594016	/nfs/dbraw/zinc/59/40/16/434594016.db2.gz	OMHYOHAELKDKMP-VURRPDKYSA-N	-1	0	317.316	3.437	40	30		DGEBRM
O=C(COc1ccc(Cl)cc1/C=N/[O-])Nc1ccccc1	ZINC000409045340	434595735	/nfs/dbraw/zinc/59/57/35/434595735.db2.gz	GHKAUQYVCLBBBK-RQZCQDPDSA-N	-1	0	304.733	3.166	40	30		DGEBRM
CC(=O)c1ccc(N=Cc2ccc(O[C@@H](C)C(=O)[O-])cc2)cc1	ZINC000039557341	527221641	/nfs/dbraw/zinc/22/16/41/527221641.db2.gz	OTDYGJIWNZNURM-MDBUFAAASA-N	-1	0	311.337	3.492	40	30		DGEBRM
O=C([O-])C[C@@H](n1nc(C(F)F)cc1C(F)F)C(F)(F)F	ZINC000685936508	549809726	/nfs/dbraw/zinc/80/97/26/549809726.db2.gz	CERSQNCSENZOMV-RXMQYKEDSA-N	-1	0	308.153	3.336	40	30		DGEBRM
Cc1cccc(OCCN2C(=O)/C(=N\[O-])c3ccc(C)c(C)c32)c1	ZINC000046084671	1194353359	/nfs/dbraw/zinc/35/33/59/1194353359.db2.gz	WJCLIMXJSPCWKW-JZJYNLBNSA-N	-1	0	324.380	3.216	40	30		DGEBRM
CCCCCCCCCCCC(=O)N(C)CCS(=O)(=O)[O-]	ZINC000059684305	184139915	/nfs/dbraw/zinc/13/99/15/184139915.db2.gz	DABQDIXIAXPQFG-UHFFFAOYSA-N	-1	0	321.483	3.254	40	30		DGEBRM
CCc1nnc(C2=C([O-])C(=Cc3ccco3)SC2=N)s1	ZINC000107870724	400338055	/nfs/dbraw/zinc/33/80/55/400338055.db2.gz	NBJCRTZWHJLDBK-WPMAYMIXSA-N	-1	0	305.384	3.111	40	30		DGEBRM
CCn1c2ccccc2c([O-])c(/C=N/c2ccccc2N)c1=O	ZINC000103461977	226894096	/nfs/dbraw/zinc/89/40/96/226894096.db2.gz	HSQLTJMNUSFGRT-RGVLZGJSSA-N	-1	0	307.353	3.060	40	30		DGEBRM
N#Cc1cccc([C@H](CC(=O)[O-])NC(=O)OCc2ccccc2)c1	ZINC000002512041	431255040	/nfs/dbraw/zinc/25/50/40/431255040.db2.gz	XTGAKQCDZRLPFO-INIZCTEOSA-N	-1	0	324.336	3.000	40	30		DGEBRM
COc1ccc2c(c1)[C@@]1(C)CCC[C@@](C)(C(=O)[O-])C1=CC2=O	ZINC000001609707	295272897	/nfs/dbraw/zinc/27/28/97/295272897.db2.gz	YOSXOPHJNATZRK-QZTJIDSGSA-N	-1	0	300.354	3.350	40	30		DGEBRM
COc1ccc2c(c1)[C@]1(C)CCC[C@](C)(C(=O)[O-])C1=CC2=O	ZINC000001609706	295276688	/nfs/dbraw/zinc/27/66/88/295276688.db2.gz	YOSXOPHJNATZRK-ROUUACIJSA-N	-1	0	300.354	3.350	40	30		DGEBRM
Cc1cc([N+](=O)[O-])ccc1/N=C\c1cc([N+](=O)[O-])ccc1[O-]	ZINC000095938431	301430170	/nfs/dbraw/zinc/43/01/70/301430170.db2.gz	WIHPUNKFOMBDGC-NVNXTCNLSA-N	-1	0	301.258	3.268	40	30		DGEBRM
N#Cc1c(/N=C/c2cc([N+](=O)[O-])ccc2[O-])sc2c1CCC2	ZINC000000344773	303178567	/nfs/dbraw/zinc/17/85/67/303178567.db2.gz	LDQCMCABLJFCTR-CAOOACKPSA-N	-1	0	313.338	3.473	40	30		DGEBRM
C[C@@H](Oc1ccc(/C=N\c2ccc([N+](=O)[O-])cc2)cc1)C(=O)[O-]	ZINC000408856913	533919511	/nfs/dbraw/zinc/91/95/11/533919511.db2.gz	MGCYENJHPDVYDZ-VBYYMIJXSA-N	-1	0	314.297	3.197	40	30		DGEBRM
N#Cc1c(/N=C/c2ccc([O-])c([N+](=O)[O-])c2)sc2c1CCC2	ZINC000035183049	526532492	/nfs/dbraw/zinc/53/24/92/526532492.db2.gz	ORKDLUVVNUEUNL-CAOOACKPSA-N	-1	0	313.338	3.473	40	30		DGEBRM
C#CCOc1c(/C=N\c2cccc(C(=O)[O-])c2)cccc1OC	ZINC000005527530	181253776	/nfs/dbraw/zinc/25/37/76/181253776.db2.gz	VIGMRWISQSCMJW-UNOMPAQXSA-N	-1	0	309.321	3.156	40	30		DGEBRM
CCc1ccc(C(=O)C=CN[C@H](Cc2ccccc2)C(=O)[O-])cc1	ZINC000016161439	182035588	/nfs/dbraw/zinc/03/55/88/182035588.db2.gz	MZFFSYONLLYBMM-MENFKHAKSA-N	-1	0	323.392	3.231	40	30		DGEBRM
CCn1c(=O)c(/C=N/c2ccc(OC)cc2)c([O-])c2ccccc21	ZINC000016162811	182035828	/nfs/dbraw/zinc/03/58/28/182035828.db2.gz	LMCQEABLSTVUAG-UDWIEESQSA-N	-1	0	322.364	3.486	40	30		DGEBRM
Cc1ccc(N=NC(N=Nc2nnn[n-]2)c2ccccc2)cc1	ZINC000039502343	183019349	/nfs/dbraw/zinc/01/93/49/183019349.db2.gz	RJRORZLYYMQEIB-PVSZGKERSA-N	-1	0	306.333	3.066	40	30		DGEBRM
CCCCCCC[C@H]1CC2=CC(=O)C(C(=O)[O-])C(=O)C2=CO1	ZINC000014276781	257215490	/nfs/dbraw/zinc/21/54/90/257215490.db2.gz	PHKVCHUVTDZCMQ-LBPRGKRZSA-N	-1	0	306.358	3.426	40	30	biogenic,in-vitro	DGEBRM
COC(=O)c1cccc(/N=C/c2cc([N+](=O)[O-])ccc2[O-])c1C	ZINC000074113978	400491779	/nfs/dbraw/zinc/49/17/79/400491779.db2.gz	AYJIDRKEDJTGBT-RQZCQDPDSA-N	-1	0	314.297	3.146	40	30		DGEBRM
CC(=O)Nc1ccc(/N=C/c2cc(C)cc([N+](=O)[O-])c2[O-])cc1	ZINC000003148052	278189880	/nfs/dbraw/zinc/18/98/80/278189880.db2.gz	GXKLZQCFMLZVIV-RQZCQDPDSA-N	-1	0	313.313	3.318	40	30		DGEBRM
FC(F)(F)c1n[n-]c(=S)n1N=Cc1ccc(Cl)cc1	ZINC000001102055	431213729	/nfs/dbraw/zinc/21/37/29/431213729.db2.gz	CDCHVVURHZRQBL-WCSRMQSCSA-N	-1	0	306.700	3.121	40	30		DGEBRM
O=[N+]([O-])c1ccc([O-])c(/C=N/c2cccc3nsnc32)c1	ZINC000003154069	431284571	/nfs/dbraw/zinc/28/45/71/431284571.db2.gz	BKVPBEAVQRQFCS-VGOFMYFVSA-N	-1	0	300.299	3.056	40	30		DGEBRM
O=C([O-])c1ccc(NN=Cc2ccccc2OC(F)F)cc1	ZINC000007890580	431368811	/nfs/dbraw/zinc/36/88/11/431368811.db2.gz	TYOHXHAXMXMJCJ-GIJQJNRQSA-N	-1	0	306.268	3.432	40	30		DGEBRM
CC(C)(C)c1cc(I)c([O-])c(C#N)c1	ZINC000225292716	432687438	/nfs/dbraw/zinc/68/74/38/432687438.db2.gz	RQMBTBJHVICCJB-UHFFFAOYSA-N	-1	0	301.127	3.166	40	30		DGEBRM
Cc1ccc(/N=C/c2ccc([O-])c([N+](=O)[O-])c2)c([N+](=O)[O-])c1	ZINC000408904996	434595215	/nfs/dbraw/zinc/59/52/15/434595215.db2.gz	RREPKEKKOIESBJ-OVCLIPMQSA-N	-1	0	301.258	3.268	40	30		DGEBRM
CCOC(=O)c1cccc(/N=C\c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000408905311	434595919	/nfs/dbraw/zinc/59/59/19/434595919.db2.gz	XAKSXDJKQIOPNN-YVLHZVERSA-N	-1	0	314.297	3.228	40	30		DGEBRM
COc1ccccc1CN1C(=O)/C(=N\[O-])c2ccc(C)c(C)c21	ZINC000046084739	1194353383	/nfs/dbraw/zinc/35/33/83/1194353383.db2.gz	SJSTVAVCEGCAHF-MNDPQUGUSA-N	-1	0	310.353	3.037	40	30		DGEBRM
Cc1ccc2c(c1C)N(CCOc1ccccc1C)C(=O)/C2=N\[O-]	ZINC000046084666	1194353655	/nfs/dbraw/zinc/35/36/55/1194353655.db2.gz	WGVIOFMDPOVSIC-JZJYNLBNSA-N	-1	0	324.380	3.216	40	30		DGEBRM
CCn1c(=O)c(/C=N/c2ccc(O)cc2)c([O-])c2ccccc21	ZINC000103461964	432009788	/nfs/dbraw/zinc/00/97/88/432009788.db2.gz	FTYCFLLLPGQCJV-YBFXNURJSA-N	-1	0	308.337	3.183	40	30		DGEBRM
CCCCCCCCCCCCC1C(=O)NC(=S)N=C1[O-]	ZINC000104101754	432014904	/nfs/dbraw/zinc/01/49/04/432014904.db2.gz	MDXQRMWWPYCMJE-UHFFFAOYSA-N	-1	0	312.479	3.445	40	30		DGEBRM
N#Cc1ccc(Sc2ccccc2C(=O)[O-])c([N+](=O)[O-])c1	ZINC000016449394	182045173	/nfs/dbraw/zinc/04/51/73/182045173.db2.gz	UPCONIFDSDFUDW-UHFFFAOYSA-N	-1	0	300.295	3.316	40	30		DGEBRM
COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccccc1C#N	ZINC000022259027	182315509	/nfs/dbraw/zinc/31/55/09/182315509.db2.gz	GHLDHIOYGPUADO-UHFFFAOYSA-N	-1	0	322.773	3.021	40	30		DGEBRM
O=C([O-])c1ccc(/C=C2\S/C(=N\c3ccccc3)NC2=O)cc1	ZINC000003030022	304231848	/nfs/dbraw/zinc/23/18/48/304231848.db2.gz	MGUIXVWIRPRQGP-UVTDQMKNSA-N	-1	0	324.361	3.276	40	30		DGEBRM
Cc1ccc(/C=C/C(=O)C(C(=O)[O-])=C2SCCCS2)o1	ZINC000062716101	257128679	/nfs/dbraw/zinc/12/86/79/257128679.db2.gz	FQLBJMAXSHIZQR-AATRIKPKSA-N	-1	0	310.396	3.337	40	30		DGEBRM
CN(C)c1ccc(/C=N/c2ccccc2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000004004469	431292546	/nfs/dbraw/zinc/29/25/46/431292546.db2.gz	GFXURXBAQYEDSH-LICLKQGHSA-N	-1	0	313.313	3.110	40	30		DGEBRM
CC1=C(C(=O)[O-])[C@H](c2ccccc2)C2=C(CC(C)(C)CC2=O)N1	ZINC000019203674	431620497	/nfs/dbraw/zinc/62/04/97/431620497.db2.gz	LZSJCXLJSWMCPD-INIZCTEOSA-N	-1	0	311.381	3.375	40	30		DGEBRM
Cc1cc(C(=O)[O-])ccc1N/N=C1\Sc2ccccc2C1=O	ZINC000100930327	431983338	/nfs/dbraw/zinc/98/33/38/431983338.db2.gz	NURHOSMDOSXSGU-SDXDJHTJSA-N	-1	0	312.350	3.407	40	30		DGEBRM
CC1=C(C(=O)[O-])[C@@H](c2ccccc2)C2=C(CC(C)(C)CC2=O)N1	ZINC000019203671	281656070	/nfs/dbraw/zinc/65/60/70/281656070.db2.gz	LZSJCXLJSWMCPD-MRXNPFEDSA-N	-1	0	311.381	3.375	40	30		DGEBRM
CC(C)(C)c1nc(=NC(=O)N[C@@H]2CCCc3occc32)s[n-]1	ZINC000329342515	434397901	/nfs/dbraw/zinc/39/79/01/434397901.db2.gz	SQNZHEMMCVUCKN-SNVBAGLBSA-N	-1	0	320.418	3.254	40	30		DGEBRM
COc1cc(C#N)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1	ZINC000408537598	434585757	/nfs/dbraw/zinc/58/57/57/434585757.db2.gz	GDQUQFPNVJJZOO-UHFFFAOYSA-N	-1	0	317.728	3.497	40	30		DGEBRM
O=C([O-])c1cc(/N=C\c2ccc(Cl)c([N+](=O)[O-])c2)ccc1O	ZINC000409067591	434594178	/nfs/dbraw/zinc/59/41/78/434594178.db2.gz	FTVFJKAPLHQEKU-APSNUPSMSA-N	-1	0	320.688	3.403	40	30		DGEBRM
Cc1cc([N+](=O)[O-])ccc1/N=C/c1ccc([O-])c([N+](=O)[O-])c1	ZINC000408961099	434595119	/nfs/dbraw/zinc/59/51/19/434595119.db2.gz	ACSHXYNAMZETPM-OVCLIPMQSA-N	-1	0	301.258	3.268	40	30		DGEBRM
CC(=O)Nc1ccc(/N=C/c2cc([N+](=O)[O-])cc(C)c2[O-])cc1	ZINC000035189667	519709227	/nfs/dbraw/zinc/70/92/27/519709227.db2.gz	BDHDLTXDSDKFGX-RQZCQDPDSA-N	-1	0	313.313	3.318	40	30		DGEBRM
C=CCOc1ccccc1CN1C(=O)/C(=N\[O-])c2cccc(C)c21	ZINC000046084791	1194353542	/nfs/dbraw/zinc/35/35/42/1194353542.db2.gz	QMMUGXJFICJCCA-JZJYNLBNSA-N	-1	0	322.364	3.285	40	30		DGEBRM
COc1ccc(C([O-])=CC(=O)c2ccccc2O)cc1OC	ZINC000103643047	432011922	/nfs/dbraw/zinc/01/19/22/432011922.db2.gz	TUFUMNLULCIVHB-UVTDQMKNSA-N	-1	0	300.310	3.191	40	30		DGEBRM
CCOC(=O)c1ccc(/N=C/C(Cl)=C(/Cl)C(=O)[O-])cc1	ZINC000017060301	182073998	/nfs/dbraw/zinc/07/39/98/182073998.db2.gz	RFKQBCRSEOQRNQ-OITKXYCYSA-N	-1	0	316.140	3.339	40	30		DGEBRM
CC(=O)Nc1cccc(C(C)=NNc2cccc(C(=O)[O-])c2)c1	ZINC000020754639	182245878	/nfs/dbraw/zinc/24/58/78/182245878.db2.gz	KJTSRKVLUCMEOL-YBFXNURJSA-N	-1	0	311.341	3.179	40	30		DGEBRM
CCOP(=O)(NC(=S)NNc1ccccc1)OCC	ZINC000005575777	257231559	/nfs/dbraw/zinc/23/15/59/257231559.db2.gz	WSBSLYQJMHQBAJ-UHFFFAOYSA-N	-1	0	303.324	3.070	40	30		DGEBRM
CCOc1ccc(C=Nn2c(=S)[n-]nc2CC)cc1OCC	ZINC000041214182	400403485	/nfs/dbraw/zinc/40/34/85/400403485.db2.gz	ROANKVPTALEVBS-MHWRWJLKSA-N	-1	0	320.418	3.183	40	30		DGEBRM
C/N=C1\S/C(=C\c2cc(Cl)c([O-])c(Cl)c2)C(=O)N1C	ZINC000100976290	277757091	/nfs/dbraw/zinc/75/70/91/277757091.db2.gz	LTHLXPUWULTNID-SEBBDNGOSA-N	-1	0	317.197	3.231	40	30		DGEBRM
COc1ccc(/C=C\C(=O)c2c([O-])cc(OC)cc2O)cc1	ZINC000111431065	431223686	/nfs/dbraw/zinc/22/36/86/431223686.db2.gz	NXHNEWMDVUHUCV-YVMONPNESA-N	-1	0	300.310	3.011	40	30		DGEBRM
CCCCCCCCS(=O)(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000001561884	431230811	/nfs/dbraw/zinc/23/08/11/431230811.db2.gz	FWENUNVQGCQXJZ-UHFFFAOYSA-N	-1	0	313.419	3.487	40	30		DGEBRM
COc1ccc(/C=N/c2ccc([N+](=O)[O-])cc2)cc1C(=O)[O-]	ZINC000100287259	431981609	/nfs/dbraw/zinc/98/16/09/431981609.db2.gz	OOVHVVGWQVZXKW-CXUHLZMHSA-N	-1	0	300.270	3.052	40	30		DGEBRM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1cccc([N+](=O)[O-])c1	ZINC000408740435	434591977	/nfs/dbraw/zinc/59/19/77/434591977.db2.gz	KPAMYXKFPGQYJD-YCPFAOKUSA-N	-1	0	322.324	3.336	40	30		DGEBRM
COC(=O)c1ccc(C)c(/N=C/c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000408903973	434596082	/nfs/dbraw/zinc/59/60/82/434596082.db2.gz	BXABPOKSFTXGGZ-RQZCQDPDSA-N	-1	0	314.297	3.146	40	30		DGEBRM
O=[N+]([O-])c1cc(C=NN=c2[nH]c3ccccc3s2)ccc1[O-]	ZINC000033247388	527326034	/nfs/dbraw/zinc/32/60/34/527326034.db2.gz	GPEVFWSTIKKLTH-NVNXTCNLSA-N	-1	0	314.326	3.356	40	30		DGEBRM
COc1ccccc1CN1C(=O)/C(=N\[O-])c2cc(C)cc(C)c21	ZINC000046084921	1194353559	/nfs/dbraw/zinc/35/35/59/1194353559.db2.gz	AWEZEONFLRPCTD-MNDPQUGUSA-N	-1	0	310.353	3.037	40	30		DGEBRM
CN(C)c1ccc(C=C2/C(=N/[O-])c3ccccc3/C2=N\O)cc1	ZINC000104165699	432014978	/nfs/dbraw/zinc/01/49/78/432014978.db2.gz	XBVIKXVKRQGMRM-XPWSMXQVSA-N	-1	0	307.353	3.206	40	30		DGEBRM
C/C(=N\c1ccc(O)cc1C)c1c([O-])c2ccccc2n(C)c1=O	ZINC000104826224	432017705	/nfs/dbraw/zinc/01/77/05/432017705.db2.gz	OTPHQDQEFPZLSM-UDWIEESQSA-N	-1	0	322.364	3.399	40	30		DGEBRM
CCC(=O)Nc1ccc(/N=C/c2cc([N+](=O)[O-])ccc2[O-])cc1	ZINC000005950731	181299818	/nfs/dbraw/zinc/29/98/18/181299818.db2.gz	PWBBEIUHUSIWCB-LICLKQGHSA-N	-1	0	313.313	3.400	40	30		DGEBRM
O=C1c2ccccc2S/C1=C/c1cccc(S(=O)(=O)[O-])c1	ZINC000008306936	181545687	/nfs/dbraw/zinc/54/56/87/181545687.db2.gz	LVCWDHFQFVOEPW-NTEUORMPSA-N	-1	0	318.375	3.263	40	30		DGEBRM
C=CCO[C@]1(C(F)(F)F)Oc2ccccc2C=C1C(=O)[O-]	ZINC000217811866	257131336	/nfs/dbraw/zinc/13/13/36/257131336.db2.gz	RKELZHZXXKBFPG-ZDUSSCGKSA-N	-1	0	300.232	3.008	40	30		DGEBRM
CCCCCCCCCCCCCC(=O)N[C@@H](CO)C(=O)[O-]	ZINC000028539092	431707796	/nfs/dbraw/zinc/70/77/96/431707796.db2.gz	PNOPPKWUFKUHSX-HNNXBMFYSA-N	-1	0	315.454	3.249	40	30		DGEBRM
O=S(=O)([O-])c1ccc(NN=Cc2ccccc2Cl)cc1	ZINC000031638523	431760792	/nfs/dbraw/zinc/76/07/92/431760792.db2.gz	NAZCPLPRPAIURC-DHDCSXOGSA-N	-1	0	310.762	3.033	40	30		DGEBRM
CCn1c(=O)c(C(=O)/C=C/c2ccco2)c([O-])c2ccccc21	ZINC000100192706	431981099	/nfs/dbraw/zinc/98/10/99/431981099.db2.gz	LKPLKAKZIPEOMW-MDZDMXLPSA-N	-1	0	309.321	3.216	40	30		DGEBRM
CCn1c2ccccc2c([O-])c(/C(C)=N/c2cccnc2)c1=O	ZINC000100357561	431981663	/nfs/dbraw/zinc/98/16/63/431981663.db2.gz	OZZNNLWPXVOPBM-UDWIEESQSA-N	-1	0	307.353	3.263	40	30		DGEBRM
CCOc1cc2c(cc1/C=N\c1ccc(C(=O)[O-])cc1)OCO2	ZINC000409099879	434597529	/nfs/dbraw/zinc/59/75/29/434597529.db2.gz	MMJBMPXYKMEDHG-NVMNQCDNSA-N	-1	0	313.309	3.263	40	30		DGEBRM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=NN(C)c1ccccc1	ZINC000096900805	185390615	/nfs/dbraw/zinc/39/06/15/185390615.db2.gz	KLUSYUDNDRLVCA-CPNJWEJPSA-N	-1	0	306.369	3.357	40	30		DGEBRM
CCn1c(=O)c(/C=N/c2ccccc2O)c([O-])c2ccccc21	ZINC000103461979	432010185	/nfs/dbraw/zinc/01/01/85/432010185.db2.gz	KCAJRNUDPXGSHF-YBFXNURJSA-N	-1	0	308.337	3.183	40	30		DGEBRM
N#C[C@@H](C(=N\O)/C(=N/[O-])[C@@H](C#N)c1ccccc1)c1ccccc1	ZINC000104286014	432016732	/nfs/dbraw/zinc/01/67/32/432016732.db2.gz	QMGCWINKDOTCDD-BWALQORKSA-N	-1	0	318.336	3.262	40	30		DGEBRM
N#CC(=NNc1ccc(C(=O)[O-])cc1)c1nc2ccccc2s1	ZINC000005605064	181263207	/nfs/dbraw/zinc/26/32/07/181263207.db2.gz	KRMVVXKZRPLGLY-DEDYPNTBSA-N	-1	0	322.349	3.334	40	30		DGEBRM
CCn1c(=O)c(/C=N/c2ccccc2OC)c([O-])c2ccccc21	ZINC000103461982	226893918	/nfs/dbraw/zinc/89/39/18/226893918.db2.gz	NAWVSFHMSHIDSX-UDWIEESQSA-N	-1	0	322.364	3.486	40	30		DGEBRM
CCCCCCCCCCCCS(=O)(=O)N[C@H](C)C(=O)[O-]	ZINC000100922013	431982981	/nfs/dbraw/zinc/98/29/81/431982981.db2.gz	VMJWGDJXDFPKEM-CQSZACIVSA-N	-1	0	321.483	3.300	40	30		DGEBRM
Cc1cc([N+](=O)[O-])ccc1/N=C\c1cccc([N+](=O)[O-])c1[O-]	ZINC000409069178	434594540	/nfs/dbraw/zinc/59/45/40/434594540.db2.gz	HZGIVDASTBATTE-NVNXTCNLSA-N	-1	0	301.258	3.268	40	30		DGEBRM
Cc1cc(N2CCOCC2)ccc1/C=N/c1cccc(C(=O)[O-])c1	ZINC000409066825	434595851	/nfs/dbraw/zinc/59/58/51/434595851.db2.gz	MKHUOOGQWOPGBU-DEDYPNTBSA-N	-1	0	324.380	3.280	40	30		DGEBRM
CCc1c(C)sc([N-]S(=O)(=O)c2cccs2)c1C#N	ZINC000027922233	1193869710	/nfs/dbraw/zinc/86/97/10/1193869710.db2.gz	QJINXXHUCBTZGM-UHFFFAOYSA-N	-1	0	312.441	3.353	40	30		DGEBRM
COc1ccccc1CN1C(=O)/C(=N\[O-])c2c1c(C)ccc2C	ZINC000046085250	1194353270	/nfs/dbraw/zinc/35/32/70/1194353270.db2.gz	SIANYCIILMTPJD-MNDPQUGUSA-N	-1	0	310.353	3.037	40	30		DGEBRM
O=C([O-])C(C(=O)/C=C/c1ccccc1F)=C1SCCS1	ZINC000062716076	257128985	/nfs/dbraw/zinc/12/89/85/257128985.db2.gz	BMLVQFJWQCWMPL-AATRIKPKSA-N	-1	0	310.371	3.184	40	30		DGEBRM
Cc1ccc(-n2cc(C=NNc3ccccc3)c(C(=O)[O-])n2)cc1	ZINC000072238887	431332698	/nfs/dbraw/zinc/33/26/98/431332698.db2.gz	KOPPSBRZQKNVRC-YBFXNURJSA-N	-1	0	320.352	3.325	40	30		DGEBRM
Cc1cccc(N/N=C2\Sc3ccccc3C2=O)c1C(=O)[O-]	ZINC000100930313	431983284	/nfs/dbraw/zinc/98/32/84/431983284.db2.gz	AWAOQYULFBVDIN-SDXDJHTJSA-N	-1	0	312.350	3.407	40	30		DGEBRM
C/C(=N\c1cc(C)ccc1O)c1c([O-])c2ccccc2n(C)c1=O	ZINC000100362606	431981823	/nfs/dbraw/zinc/98/18/23/431981823.db2.gz	ZUNWUMASWMGJMP-UDWIEESQSA-N	-1	0	322.364	3.399	40	30		DGEBRM
COc1c([O-])cc(/C=N/c2ccc3nccnc3c2)cc1[N+](=O)[O-]	ZINC000059843787	431998939	/nfs/dbraw/zinc/99/89/39/431998939.db2.gz	MALJETFXKXIXIU-DJKKODMXSA-N	-1	0	324.296	3.003	40	30		DGEBRM
Cc1cc(C(=O)[O-])ccc1/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000409111765	434598491	/nfs/dbraw/zinc/59/84/91/434598491.db2.gz	BZEIXXPYIJBWCZ-LZYBPNLTSA-N	-1	0	300.270	3.058	40	30		DGEBRM
[O-]/N=C(/CC(O)(C(F)(F)F)C(F)(F)F)c1cccs1	ZINC000016981519	331571734	/nfs/dbraw/zinc/57/17/34/331571734.db2.gz	ITGUSLGHWMHJRN-BNCCVWRVSA-N	-1	0	307.215	3.172	40	30		DGEBRM
O=C1ON=C(C2CCCCC2)/C1=C/c1cccc([N+](=O)[O-])c1[O-]	ZINC000035506778	527099269	/nfs/dbraw/zinc/09/92/69/527099269.db2.gz	SCFICYKTKXVCIS-XFXZXTDPSA-N	-1	0	316.313	3.177	40	30		DGEBRM
COc1ccccc1CN1c2cccc(Cl)c2/C(=N/[O-])C1=O	ZINC000046085026	1194353394	/nfs/dbraw/zinc/35/33/94/1194353394.db2.gz	QNUNZYKYJHLHEH-SDXDJHTJSA-N	-1	0	316.744	3.074	40	30		DGEBRM
Cc1ccc(OCCN2C(=O)/C(=N\[O-])c3c2c(C)ccc3C)cc1	ZINC000046085242	1194353535	/nfs/dbraw/zinc/35/35/35/1194353535.db2.gz	POMFBUAODODSBZ-JZJYNLBNSA-N	-1	0	324.380	3.216	40	30		DGEBRM
CCn1c(=O)c(/C=N/c2cccc(O)c2)c([O-])c2ccccc21	ZINC000103461953	432010550	/nfs/dbraw/zinc/01/05/50/432010550.db2.gz	HKUPGPZHACSYNJ-YBFXNURJSA-N	-1	0	308.337	3.183	40	30		DGEBRM
N#Cc1ccc([C@H](CC(=O)[O-])NC(=O)OCc2ccccc2)cc1	ZINC000002512008	180929100	/nfs/dbraw/zinc/92/91/00/180929100.db2.gz	HJOUYIMEPIRSJW-INIZCTEOSA-N	-1	0	324.336	3.000	40	30		DGEBRM
O=C([O-])c1ccc(CN=Nc2ccc(C(F)(F)F)cn2)cc1	ZINC000005119811	181205523	/nfs/dbraw/zinc/20/55/23/181205523.db2.gz	FCHRLPPUNQKKMO-FBCYGCLPSA-N	-1	0	309.247	3.245	40	30		DGEBRM
COc1ccc(C(C)=NNc2cccc(C(=O)[O-])c2)c(OC)c1	ZINC000005163303	181212475	/nfs/dbraw/zinc/21/24/75/181212475.db2.gz	IAQBGAXTGUDULS-WOJGMQOQSA-N	-1	0	314.341	3.238	40	30		DGEBRM
CCc1n[n-]c(=S)n1N=Cc1ccc(Br)cc1	ZINC000006497106	181345474	/nfs/dbraw/zinc/34/54/74/181345474.db2.gz	UGHFOCRUSIUXMA-NTUHNPAUSA-N	-1	0	311.208	3.148	40	30		DGEBRM
CCOc1cc(C=NNc2ccc(C(=O)[O-])cc2)ccc1OC	ZINC000007890768	181505309	/nfs/dbraw/zinc/50/53/09/181505309.db2.gz	XXRFNMXRSSHSRJ-WOJGMQOQSA-N	-1	0	314.341	3.238	40	30		DGEBRM
N#Cc1ccc(C=Nn2c(=S)[n-]nc2-c2ccccc2)cc1	ZINC000020932499	182255049	/nfs/dbraw/zinc/25/50/49/182255049.db2.gz	IERYGKYADCZLQB-WOJGMQOQSA-N	-1	0	305.366	3.362	40	30		DGEBRM
O=C([O-])c1cccc(NN=Cc2ccc(-n3ccnc3)cc2)c1	ZINC000013077851	431546938	/nfs/dbraw/zinc/54/69/38/431546938.db2.gz	ZTFJOCPHRXHURP-YBFXNURJSA-N	-1	0	306.325	3.017	40	30		DGEBRM
O=[N+]([O-])c1ccc(Oc2ccccc2/C=N/[O-])c([N+](=O)[O-])c1	ZINC000013747813	431569412	/nfs/dbraw/zinc/56/94/12/431569412.db2.gz	WDZVNEQPXWCLKQ-RIYZIHGNSA-N	-1	0	303.230	3.103	40	30		DGEBRM
CCCCCCCCCCNC(=O)CS[C@H](C)C(=O)[O-]	ZINC000100978093	431983661	/nfs/dbraw/zinc/98/36/61/431983661.db2.gz	ADYWYZHUPXOFEW-CYBMUJFWSA-N	-1	0	303.468	3.450	40	30		DGEBRM
C/C(=N\c1cccc(O)c1)c1c([O-])c2ccccc2n(C)c1=O	ZINC000101161082	431983682	/nfs/dbraw/zinc/98/36/82/431983682.db2.gz	RIJHUXGFOQOVOZ-YBFXNURJSA-N	-1	0	308.337	3.090	40	30		DGEBRM
C#CCOc1c(Br)cc(C(C)(C)C)cc1C(=O)[O-]	ZINC000225283936	432688104	/nfs/dbraw/zinc/68/81/04/432688104.db2.gz	XCSNWBACBVQIMA-UHFFFAOYSA-N	-1	0	311.175	3.457	40	30		DGEBRM
C[C@H](Oc1ccc(/C=N\c2ccc([N+](=O)[O-])cc2)cc1)C(=O)[O-]	ZINC000408856912	434595335	/nfs/dbraw/zinc/59/53/35/434595335.db2.gz	MGCYENJHPDVYDZ-MTUBTWAWSA-N	-1	0	314.297	3.197	40	30		DGEBRM
COC(=O)c1ccc(C)c(/N=C/c2cccc([N+](=O)[O-])c2[O-])c1	ZINC000409073120	434596073	/nfs/dbraw/zinc/59/60/73/434596073.db2.gz	OZNOEJBJPHRISL-RQZCQDPDSA-N	-1	0	314.297	3.146	40	30		DGEBRM
O=[N+]([O-])c1ccc(Oc2cccc(/C=N\[O-])c2)c([N+](=O)[O-])c1	ZINC000409082644	434598209	/nfs/dbraw/zinc/59/82/09/434598209.db2.gz	QMPCPXCCJZIWCW-ZSOIEALJSA-N	-1	0	303.230	3.103	40	30		DGEBRM
O=C(COc1cccc(/C=N\O)c1)Nc1ccc(Cl)cc1	ZINC000409224706	434598676	/nfs/dbraw/zinc/59/86/76/434598676.db2.gz	LYEAVCORADYXRI-MFOYZWKCSA-N	-1	0	304.733	3.166	40	30		DGEBRM
Cc1ccc(S(=O)([O-])=NC(=O)Nc2cccc(C)c2)cc1	ZINC000005929694	181297273	/nfs/dbraw/zinc/29/72/73/181297273.db2.gz	MBSWUVXOONKRTJ-UHFFFAOYSA-N	-1	0	304.371	3.018	40	30		DGEBRM
CCO/N=C/c1cc(Br)cc(Br)c1[O-]	ZINC000017695922	182085348	/nfs/dbraw/zinc/08/53/48/182085348.db2.gz	ZYSQHNIKGGOZTM-LFYBBSHMSA-N	-1	0	322.984	3.288	40	30		DGEBRM
COc1cccc(/C=N/c2cccc(F)c2)c1O[C@@H](C)C(=O)[O-]	ZINC000409245370	533390401	/nfs/dbraw/zinc/39/04/01/533390401.db2.gz	RSNRXZYGJNEUQK-VSMYLPJWSA-N	-1	0	317.316	3.437	40	30		DGEBRM
CCOC(=O)/C(=N/[O-])C1=NC(C)(C)Cc2c(C)c(C)c(C)cc21	ZINC000001438320	431225773	/nfs/dbraw/zinc/22/57/73/431225773.db2.gz	UYTDAEAZAQQJHM-CAPFRKAQSA-N	-1	0	316.401	3.129	40	30		DGEBRM
COc1ccc2c(c1)[C@]1(C)CCC[C@@](C)(C(=O)[O-])C1=CC2=O	ZINC000001609708	431234120	/nfs/dbraw/zinc/23/41/20/431234120.db2.gz	YOSXOPHJNATZRK-ZWKOTPCHSA-N	-1	0	300.354	3.350	40	30		DGEBRM
CCCCCCCCCCCCS(=O)(=O)NCCC(=O)[O-]	ZINC000100951350	431983651	/nfs/dbraw/zinc/98/36/51/431983651.db2.gz	QHTDKEIAEQATJD-UHFFFAOYSA-N	-1	0	321.483	3.301	40	30		DGEBRM
O=[N+]([O-])c1ccc([O-])c(/N=C/c2ccc(N3CCCC3)o2)c1	ZINC000059138454	431998123	/nfs/dbraw/zinc/99/81/23/431998123.db2.gz	ATWNXDODMSKSMJ-MHWRWJLKSA-N	-1	0	301.302	3.244	40	30		DGEBRM
COc1cc2c(cc1/C=N\c1ccc(C(=O)[O-])cc1C)OCO2	ZINC000409074263	434594149	/nfs/dbraw/zinc/59/41/49/434594149.db2.gz	SRZOFWSAOAGZQO-LSCVHKIXSA-N	-1	0	313.309	3.181	40	30		DGEBRM
COc1cc(/C=N/c2ccc(O)cc2)ccc1O[C@H](C)C(=O)[O-]	ZINC000409014692	434596244	/nfs/dbraw/zinc/59/62/44/434596244.db2.gz	YBMYWVQDPGAYCR-VDCVXVNISA-N	-1	0	315.325	3.003	40	30		DGEBRM
CCOc1ccc(/C=N/c2ccc([N+](=O)[O-])cc2)cc1C(=O)[O-]	ZINC000409170596	434598436	/nfs/dbraw/zinc/59/84/36/434598436.db2.gz	WNVRCWMOFULXSR-LICLKQGHSA-N	-1	0	314.297	3.442	40	30		DGEBRM
Cc1ccc(C)c2c1/C(=N/[O-])C(=O)N2CCCOc1ccccc1	ZINC000046085174	1194353659	/nfs/dbraw/zinc/35/36/59/1194353659.db2.gz	QHWYZEHBNSBSRY-JZJYNLBNSA-N	-1	0	324.380	3.297	40	30		DGEBRM
CCOC(=O)c1ccc(/N=C/C(Cl)=C(\Cl)C(=O)[O-])cc1	ZINC000001556446	180872848	/nfs/dbraw/zinc/87/28/48/180872848.db2.gz	RFKQBCRSEOQRNQ-XVCWLYTKSA-N	-1	0	316.140	3.339	40	30		DGEBRM
CC(=Nn1c(=S)[n-]nc1C(F)(F)F)c1ccc(C)cc1	ZINC000006190005	181318230	/nfs/dbraw/zinc/31/82/30/181318230.db2.gz	FGSXWAQVSHPBSW-LSCVHKIXSA-N	-1	0	300.309	3.166	40	30		DGEBRM
N#Cc1cc([N+](=O)[O-])ccc1Sc1ccccc1C(=O)[O-]	ZINC000016449390	182045083	/nfs/dbraw/zinc/04/50/83/182045083.db2.gz	DYVPRRZFIDLEAN-UHFFFAOYSA-N	-1	0	300.295	3.316	40	30		DGEBRM
N=C1SC(=Cc2ccccc2O)C([O-])=C1c1nccs1	ZINC000108930713	400349566	/nfs/dbraw/zinc/34/95/66/400349566.db2.gz	XRNXVTIGQZCUOU-UBVPWQMRSA-N	-1	0	302.380	3.267	40	30		DGEBRM
CC(C)(C)c1ccc(/C=N/n2[n-]nnc2=Nc2ccccc2)cc1	ZINC000408723704	278559113	/nfs/dbraw/zinc/55/91/13/278559113.db2.gz	BDPNLOPPKAJXCR-CPNJWEJPSA-N	-1	0	320.400	3.018	40	30		DGEBRM
C/N=C1/S/C(=C/c2cc(Cl)cc(Cl)c2[O-])C(=O)N1C	ZINC000408930107	434594511	/nfs/dbraw/zinc/59/45/11/434594511.db2.gz	SEOKGTIPJDHJID-QMZAVZIESA-N	-1	0	317.197	3.231	40	30		DGEBRM
COc1cc(/C=N/c2ccc(O)cc2)ccc1O[C@@H](C)C(=O)[O-]	ZINC000409014690	434595361	/nfs/dbraw/zinc/59/53/61/434595361.db2.gz	YBMYWVQDPGAYCR-HPAYWCODSA-N	-1	0	315.325	3.003	40	30		DGEBRM
C[C@H](Oc1ccc(/C=N\c2ccc3c(c2)OCO3)cc1)C(=O)[O-]	ZINC000408858563	434596160	/nfs/dbraw/zinc/59/61/60/434596160.db2.gz	QIYHMVWFNDBYLF-HCGGYXKBSA-N	-1	0	313.309	3.018	40	30		DGEBRM
COc1cc2c(cc1/C=N\c1cccc(C(=O)[O-])c1C)OCO2	ZINC000409094617	434597229	/nfs/dbraw/zinc/59/72/29/434597229.db2.gz	DWCBPAJVWKMHQP-LSCVHKIXSA-N	-1	0	313.309	3.181	40	30		DGEBRM
CCCCCCCCCCCC[NH+](CC(=O)[O-])CC(=O)[O-]	ZINC000100069855	332207142	/nfs/dbraw/zinc/20/71/42/332207142.db2.gz	MFMNADOFNGXVAW-UHFFFAOYSA-N	-1	0	301.427	3.379	40	30		DGEBRM
CC(C)c1ccc(/C=N/Nc2nc(=O)c(C(C)(C)C)n[n-]2)cc1	ZINC000027525671	1193867588	/nfs/dbraw/zinc/86/75/88/1193867588.db2.gz	ZCZHLUQHMRXSJN-VCHYOVAHSA-N	-1	0	313.405	3.032	40	30		DGEBRM
Cc1ccc(OCCN2C(=O)/C(=N\[O-])c3ccc(C)c(C)c32)cc1	ZINC000046084670	1194353131	/nfs/dbraw/zinc/35/31/31/1194353131.db2.gz	PBUBWRARZRYXSF-JZJYNLBNSA-N	-1	0	324.380	3.216	40	30		DGEBRM
COc1ccccc1CN1c2cc(Cl)ccc2/C(=N/[O-])C1=O	ZINC000046084643	1194353381	/nfs/dbraw/zinc/35/33/81/1194353381.db2.gz	JTSUFSKHJQEMFL-SDXDJHTJSA-N	-1	0	316.744	3.074	40	30		DGEBRM
O=[N+]([O-])c1cc(Br)cc(/C=N/c2cccnc2)c1[O-]	ZINC000005331408	181230185	/nfs/dbraw/zinc/23/01/85/181230185.db2.gz	YLJGQDBEBKPOBQ-GIDUJCDVSA-N	-1	0	322.118	3.209	40	30		DGEBRM
CC(=O)c1ccc(N=Cc2ccc(O[C@H](C)C(=O)[O-])cc2)cc1	ZINC000039557342	431856050	/nfs/dbraw/zinc/85/60/50/431856050.db2.gz	OTDYGJIWNZNURM-OTGIAGGSSA-N	-1	0	311.337	3.492	40	30		DGEBRM
CCOc1cc([N+](=O)[O-])cc(C=Nc2ccc(C)cc2O)c1[O-]	ZINC000254479305	432403857	/nfs/dbraw/zinc/40/38/57/432403857.db2.gz	QBBXXPGCMUMWIO-UHFFFAOYSA-N	-1	0	316.313	3.464	40	30		DGEBRM
O=C([O-])COc1ccc(/C=N\c2cccc(O)c2)cc1Cl	ZINC000408813773	434592692	/nfs/dbraw/zinc/59/26/92/434592692.db2.gz	DPYJFDMJILJGGA-IUXPMGMMSA-N	-1	0	305.717	3.260	40	30		DGEBRM
COC(=O)c1cccc(/N=C/c2ccc([O-])c([N+](=O)[O-])c2)c1C	ZINC000408905011	434595576	/nfs/dbraw/zinc/59/55/76/434595576.db2.gz	RXRDBOHBPBQAEC-RQZCQDPDSA-N	-1	0	314.297	3.146	40	30		DGEBRM
COc1cccc(/C=N/c2ccc(F)cc2)c1O[C@@H](C)C(=O)[O-]	ZINC000409247930	434600209	/nfs/dbraw/zinc/60/02/09/434600209.db2.gz	IQNHRSRRKWTZLK-VSMYLPJWSA-N	-1	0	317.316	3.437	40	30		DGEBRM
Cc1ccc(C)c2c1/C(=N/[O-])C(=O)N2CCOc1ccccc1C	ZINC000046085241	1194353313	/nfs/dbraw/zinc/35/33/13/1194353313.db2.gz	YUDHRGDCDXVCJT-JZJYNLBNSA-N	-1	0	324.380	3.216	40	30		DGEBRM
C=CC[C@]1(C(=O)[O-])CCCN(C(=O)OCc2ccccc2)C1	ZINC000090735424	185311613	/nfs/dbraw/zinc/31/16/13/185311613.db2.gz	GCIRLADWUAJKSS-KRWDZBQOSA-N	-1	0	303.358	3.066	40	30		DGEBRM
CCn1c2ccccc2c([O-])c(/C=N/c2cccc(N)c2)c1=O	ZINC000103461949	432010438	/nfs/dbraw/zinc/01/04/38/432010438.db2.gz	ZUSIWHASIIITLC-RGVLZGJSSA-N	-1	0	307.353	3.060	40	30		DGEBRM
CN(C)c1ccc(C=C2/C(=N\[O-])c3ccccc3/C2=N/O)cc1	ZINC000104165706	432014604	/nfs/dbraw/zinc/01/46/04/432014604.db2.gz	XBVIKXVKRQGMRM-CLFAGFIQSA-N	-1	0	307.353	3.206	40	30		DGEBRM
O=C([O-])C(C(=O)/C=C/c1cccs1)=C1SCCCS1	ZINC000005677210	181270915	/nfs/dbraw/zinc/27/09/15/181270915.db2.gz	BFZKPGGUCSZKEI-SNAWJCMRSA-N	-1	0	312.437	3.497	40	30		DGEBRM
Cc1[n-]n(-c2ccccc2)c(=O)c1C(=NO)c1ccc(C)cc1	ZINC000006204133	181319217	/nfs/dbraw/zinc/31/92/17/181319217.db2.gz	QVCDQDBZSLFSEY-LVZFUZTISA-N	-1	0	307.353	3.421	40	30		DGEBRM
CN(C)c1ccc(C=C2/C(=N/O)c3ccccc3/C2=N/[O-])cc1	ZINC000017024327	182068314	/nfs/dbraw/zinc/06/83/14/182068314.db2.gz	XBVIKXVKRQGMRM-KBIUFABHSA-N	-1	0	307.353	3.206	40	30		DGEBRM
CCc1[n-]n2c(nc(C)c(CCC#N)c2=O)c1-c1ccc(F)cc1	ZINC000010338590	431461338	/nfs/dbraw/zinc/46/13/38/431461338.db2.gz	KEVJLZHZGKVESV-UHFFFAOYSA-N	-1	0	324.359	3.156	40	30		DGEBRM
COc1ccc(-c2cc(-c3ccc(C)o3)[n-]c(=O)c2C#N)cc1	ZINC000055175269	431977009	/nfs/dbraw/zinc/97/70/09/431977009.db2.gz	MFOUPVDRODGROU-UHFFFAOYSA-N	-1	0	306.321	3.491	40	30		DGEBRM
C/C(=N\c1ccc(O)cc1)c1c([O-])c2ccccc2n(C)c1=O	ZINC000100362643	431981438	/nfs/dbraw/zinc/98/14/38/431981438.db2.gz	ACNTWPWKWGLJMB-YBFXNURJSA-N	-1	0	308.337	3.090	40	30		DGEBRM
COC(=O)c1cccc(/N=C/c2cccc([N+](=O)[O-])c2[O-])c1C	ZINC000409069017	434595716	/nfs/dbraw/zinc/59/57/16/434595716.db2.gz	VHKMOHNFJLBTEY-RQZCQDPDSA-N	-1	0	314.297	3.146	40	30		DGEBRM
C[C@H](Oc1ccc(/C=N\c2cccc([N+](=O)[O-])c2)cc1)C(=O)[O-]	ZINC000408856179	434596200	/nfs/dbraw/zinc/59/62/00/434596200.db2.gz	PMZFGCHKEMZYND-MTUBTWAWSA-N	-1	0	314.297	3.197	40	30		DGEBRM
Oc1ccc(/N=C/c2ccc(N3CCOCC3)c(F)c2)cc1	ZINC000409147081	434597052	/nfs/dbraw/zinc/59/70/52/434597052.db2.gz	MHMFTQWPLQRBIQ-XDHOZWIPSA-N	-1	0	300.333	3.119	40	30		DGEBRM
Cc1cccc2c1/C(=N/[O-])C(=O)N2CCCOc1ccccc1C	ZINC000046084991	1194353170	/nfs/dbraw/zinc/35/31/70/1194353170.db2.gz	AQONDVHVMCORCW-ZZEZOPTASA-N	-1	0	324.380	3.297	40	30		DGEBRM
Cc1ccc2c(c1C)N(CCCOc1ccccc1)C(=O)/C2=N\[O-]	ZINC000046084685	1194353494	/nfs/dbraw/zinc/35/34/94/1194353494.db2.gz	WMYRUWIPFNHFNI-JZJYNLBNSA-N	-1	0	324.380	3.297	40	30		DGEBRM
N#Cc1c(Nc2ccccc2F)sc2c1[nH]c(=O)cc2[O-]	ZINC000004945740	181177704	/nfs/dbraw/zinc/17/77/04/181177704.db2.gz	PUXDFXRKVUHZOX-UHFFFAOYSA-N	-1	0	301.302	3.050	40	30		DGEBRM
N#Cc1c(NCc2ccc(C(=O)[O-])o2)sc2c1CCCC2	ZINC000008729730	181580177	/nfs/dbraw/zinc/58/01/77/181580177.db2.gz	USSSQYNZTUYLIQ-UHFFFAOYSA-N	-1	0	302.355	3.402	40	30		DGEBRM
O=C([O-])c1cc(/N=C\c2cccn2-c2ccc(O)cc2)ccc1O	ZINC000015228820	181992543	/nfs/dbraw/zinc/99/25/43/181992543.db2.gz	JKASDMMHMBFKHN-ODLFYWEKSA-N	-1	0	322.320	3.337	40	30		DGEBRM
COc1ccc(/C=C\C(=O)c2c([O-])cc(OC)cc2OC)cc1	ZINC000017300278	182081821	/nfs/dbraw/zinc/08/18/21/182081821.db2.gz	CGIBCVBDFUTMPT-TWGQIWQCSA-N	-1	0	314.337	3.314	40	30	biogenic,in-vitro	DGEBRM
COc1cc(/C=N/c2oc(C)c(C)c2C#N)c([O-])c([N+](=O)[O-])c1	ZINC000408952402	229633246	/nfs/dbraw/zinc/63/32/46/229633246.db2.gz	KFXXDOLLEARANV-REZTVBANSA-N	-1	0	315.285	3.141	40	30		DGEBRM
O=[N+]([O-])c1ccc([O-])c(/C=N/c2nonc2-c2ccccc2)c1	ZINC000038163267	431854981	/nfs/dbraw/zinc/85/49/81/431854981.db2.gz	SCWFBTYEHMNLKP-CXUHLZMHSA-N	-1	0	310.269	3.101	40	30		DGEBRM
C/C(=N/Nc1ccccc1)c1c([O-])c2ccccc2n(C)c1=O	ZINC000101156548	431983427	/nfs/dbraw/zinc/98/34/27/431983427.db2.gz	FDEVQHVLWFMTSS-UNOMPAQXSA-N	-1	0	307.353	3.080	40	30		DGEBRM
O=C([O-])COc1ccc(/C=N/c2ccc(O)cc2)cc1Cl	ZINC000408851032	434596231	/nfs/dbraw/zinc/59/62/31/434596231.db2.gz	USBAUHYZIFJEBQ-CAOOACKPSA-N	-1	0	305.717	3.260	40	30		DGEBRM
COc1cccc(/C=N\c2ccccc2O)c1O[C@H](C)C(=O)[O-]	ZINC000409243545	434600509	/nfs/dbraw/zinc/60/05/09/434600509.db2.gz	SHPPOAZQRLWRIW-IPHDDYSGSA-N	-1	0	315.325	3.003	40	30		DGEBRM
Cc1sc([N-]S(=O)(=O)Cc2ccccc2)c(C#N)c1C	ZINC000027929302	1193869979	/nfs/dbraw/zinc/86/99/79/1193869979.db2.gz	INGKZLCBCYNEPR-UHFFFAOYSA-N	-1	0	306.412	3.179	40	30		DGEBRM
Cc1ccc(OCCN2C(=O)/C(=N\[O-])c3cc(C)cc(C)c32)cc1	ZINC000046084910	1194353365	/nfs/dbraw/zinc/35/33/65/1194353365.db2.gz	CCRWGSJWNMTQJI-JZJYNLBNSA-N	-1	0	324.380	3.216	40	30		DGEBRM
N#Cc1ccc([C@@H](CC(=O)[O-])NC(=O)OCc2ccccc2)cc1	ZINC000038580553	183003134	/nfs/dbraw/zinc/00/31/34/183003134.db2.gz	HJOUYIMEPIRSJW-MRXNPFEDSA-N	-1	0	324.336	3.000	40	30		DGEBRM
COC(=O)c1ccc(/N=C/c2ccc([O-])c([N+](=O)[O-])c2)c(C)c1	ZINC000408904010	434596149	/nfs/dbraw/zinc/59/61/49/434596149.db2.gz	CHDLZWWQJHQYJB-RQZCQDPDSA-N	-1	0	314.297	3.146	40	30		DGEBRM
Cc1ccc(C(=O)[O-])cc1/N=C\c1cccc([N+](=O)[O-])c1[O-]	ZINC000409098143	434597267	/nfs/dbraw/zinc/59/72/67/434597267.db2.gz	INLOPOBAOKFYJB-PXNMLYILSA-N	-1	0	300.270	3.058	40	30		DGEBRM
Oc1ccccc1/N=C\c1ccc(N2CCOCC2)c(F)c1	ZINC000409133156	434598506	/nfs/dbraw/zinc/59/85/06/434598506.db2.gz	MSUZNLNCGAEZCV-UNOMPAQXSA-N	-1	0	300.333	3.119	40	30		DGEBRM
O=C(COc1ccccc1/C=N\[O-])Nc1ccccc1Cl	ZINC000409272825	434600353	/nfs/dbraw/zinc/60/03/53/434600353.db2.gz	SQLGOZLSXOEEPT-MFOYZWKCSA-N	-1	0	304.733	3.166	40	30		DGEBRM
O=C(C=C([O-])c1ccco1)C(F)(F)C(F)(F)C(F)(F)F	ZINC000100472619	303565212	/nfs/dbraw/zinc/56/52/12/303565212.db2.gz	ATAOWIQUJGHXOL-UHFFFAOYSA-N	-1	0	306.133	3.254	40	30		DGEBRM
C=C(C)CN1c2ccc(SCCC(=O)[O-])cc2CCC1=O	ZINC000218813140	340498823	/nfs/dbraw/zinc/49/88/23/340498823.db2.gz	BXUALBQRSJJWPM-UHFFFAOYSA-N	-1	0	305.399	3.109	40	30		DGEBRM
CCCCCCCCCCCCS(=O)(=O)N[C@@H](C)C(=O)[O-]	ZINC000100922011	528124532	/nfs/dbraw/zinc/12/45/32/528124532.db2.gz	VMJWGDJXDFPKEM-AWEZNQCLSA-N	-1	0	321.483	3.300	40	30		DGEBRM
CCCCCCCCCCC[C@@H]1NC(=S)NC([O-])=C1C#N	ZINC000104212286	432015453	/nfs/dbraw/zinc/01/54/53/432015453.db2.gz	BRBYBXAEVFZZFR-KGLIPLIRSA-N	-1	0	309.479	3.420	40	30		DGEBRM
Cc1ccc(S(=O)([O-])=NC(=O)NC2CCCCCCC2)cc1	ZINC000000001516	431111452	/nfs/dbraw/zinc/11/14/52/431111452.db2.gz	XTOBSLUVJNOXGB-UHFFFAOYSA-N	-1	0	324.446	3.300	40	30	in-man	DGEBRM
COc1ccc(/C=C/C=C/C(=O)c2c([O-])cc(C)oc2=O)cc1	ZINC000045506462	431886546	/nfs/dbraw/zinc/88/65/46/431886546.db2.gz	HQKLBPYALIMCPG-GGWOSOGESA-N	-1	0	312.321	3.115	40	30		DGEBRM
C/N=C1\S/C(=C/c2cc(Cl)c([O-])c(Cl)c2)C(=O)N1C	ZINC000100248851	431981396	/nfs/dbraw/zinc/98/13/96/431981396.db2.gz	LTHLXPUWULTNID-ASLBFJQJSA-N	-1	0	317.197	3.231	40	30		DGEBRM
CC(=O)c1ccc(/N=C/c2c([O-])c3ccccc3n(C)c2=O)cc1	ZINC000100261149	431981581	/nfs/dbraw/zinc/98/15/81/431981581.db2.gz	MOOMZBJXBCDYAE-RGVLZGJSSA-N	-1	0	320.348	3.197	40	30		DGEBRM
C[C@@H](Oc1ccc(/C=N\c2ccc3c(c2)OCO3)cc1)C(=O)[O-]	ZINC000408858565	434596280	/nfs/dbraw/zinc/59/62/80/434596280.db2.gz	QIYHMVWFNDBYLF-RGVUVNHFSA-N	-1	0	313.309	3.018	40	30		DGEBRM
COc1cccc(/C=N\c2cccc(O)c2)c1O[C@H](C)C(=O)[O-]	ZINC000409222449	434598294	/nfs/dbraw/zinc/59/82/94/434598294.db2.gz	XEMBGTFHEKXOCN-IPHDDYSGSA-N	-1	0	315.325	3.003	40	30		DGEBRM
CCCSc1nnc([N-][NH+]=Cc2c(C)nn(C(C)C)c2C)[n-]1	ZINC000020905098	520571650	/nfs/dbraw/zinc/57/16/50/520571650.db2.gz	LQSLHTZNKZHROT-OVCLIPMQSA-N	-1	0	321.454	3.147	40	30		DGEBRM
Cc1cc([O-])c(C(=O)/C=C/c2ccnc3ccccc23)c(=O)o1	ZINC000104246839	432015645	/nfs/dbraw/zinc/01/56/45/432015645.db2.gz	QRCJPMFLWMKQPG-VOTSOKGWSA-N	-1	0	307.305	3.098	40	30		DGEBRM
O=C([O-])c1nn(-c2ccccc2)cc1/C=C/C(=O)c1ccccc1	ZINC000072238892	191082206	/nfs/dbraw/zinc/08/22/06/191082206.db2.gz	YNUSOEGTVJQPJA-VAWYXSNFSA-N	-1	0	318.332	3.467	40	30		DGEBRM
N#Cc1c(SCc2ccccc2)sc2c1[nH]c(=O)cc2[O-]	ZINC000004945394	181177784	/nfs/dbraw/zinc/17/77/84/181177784.db2.gz	RUTJXLBHEFLMNK-UHFFFAOYSA-N	-1	0	314.391	3.459	40	30		DGEBRM
CCOc1cc([N+](=O)[O-])cc(/C=N\c2ccc(C)cc2O)c1[O-]	ZINC000016688241	182057241	/nfs/dbraw/zinc/05/72/41/182057241.db2.gz	QBBXXPGCMUMWIO-MFOYZWKCSA-N	-1	0	316.313	3.464	40	30		DGEBRM
O=C([O-])COc1ccccc1C=NNc1ccc2ccccc2n1	ZINC000021555207	182279865	/nfs/dbraw/zinc/27/98/65/182279865.db2.gz	QGRGSJWFSDJLOP-YBFXNURJSA-N	-1	0	321.336	3.144	40	30		DGEBRM
CN(CCC#N)c1ccc(/C=N\c2ccc(C(=O)[O-])cc2)cc1	ZINC000059594858	184139687	/nfs/dbraw/zinc/13/96/87/184139687.db2.gz	JRJOWNWUIMPDHV-MOSHPQCFSA-N	-1	0	307.353	3.485	40	30		DGEBRM
O=C([O-])c1ccccc1-c1ccc(CN=Nc2ccccn2)o1	ZINC000033786603	400383801	/nfs/dbraw/zinc/38/38/01/400383801.db2.gz	BTUHMNBOWMMVBQ-ODLFYWEKSA-N	-1	0	307.309	3.486	40	30		DGEBRM
C=CCSc1nc2ccc(NC(=O)/C=C\C(=O)[O-])cc2s1	ZINC000031769036	431765267	/nfs/dbraw/zinc/76/52/67/431765267.db2.gz	SKAXQXINMWLJQQ-WAYWQWQTSA-N	-1	0	320.395	3.154	40	30		DGEBRM
COc1ccccc1/C=C/C=C/C(=O)c1c([O-])cc(C)oc1=O	ZINC000227173637	432709249	/nfs/dbraw/zinc/70/92/49/432709249.db2.gz	PYBCLNVQYFUENV-DLYLGUBQSA-N	-1	0	312.321	3.115	40	30		DGEBRM
CC(C)(C)c1nc(=NC(=O)N[C@H]2CCCc3occc32)s[n-]1	ZINC000329342513	434396575	/nfs/dbraw/zinc/39/65/75/434396575.db2.gz	SQNZHEMMCVUCKN-JTQLQIEISA-N	-1	0	320.418	3.254	40	30		DGEBRM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1ccc([N+](=O)[O-])cc1	ZINC000408740126	434593487	/nfs/dbraw/zinc/59/34/87/434593487.db2.gz	INKHLWXVOQJORZ-GYKGCMEESA-N	-1	0	322.324	3.336	40	30		DGEBRM
Cc1cc(N2CCOCC2)ccc1/C=N/c1ccc(C(=O)[O-])cc1	ZINC000409064456	434594884	/nfs/dbraw/zinc/59/48/84/434594884.db2.gz	DKRJBNMSHLFKBD-DEDYPNTBSA-N	-1	0	324.380	3.280	40	30		DGEBRM
Cc1ccc(C(=O)[O-])cc1/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000409090419	434597861	/nfs/dbraw/zinc/59/78/61/434597861.db2.gz	QQJBPYZJTXBCKU-LZYBPNLTSA-N	-1	0	300.270	3.058	40	30		DGEBRM
[O-]/N=C(\CC(O)(C(F)(F)F)C(F)(F)F)c1ccccc1	ZINC000104302958	432016153	/nfs/dbraw/zinc/01/61/53/432016153.db2.gz	UQVOYAXWHHOBQI-QGMBQPNBSA-N	-1	0	301.186	3.111	40	30		DGEBRM
CC(=NOC(=O)Nc1ccccc1C(=O)[O-])c1cccs1	ZINC000005725427	181276938	/nfs/dbraw/zinc/27/69/38/181276938.db2.gz	VMGQCJGHABXDPG-CXUHLZMHSA-N	-1	0	304.327	3.419	40	30		DGEBRM
O=C([O-])c1cc(/N=C/c2ccc(N3CCCC3)cc2)ccc1O	ZINC000005927117	181297322	/nfs/dbraw/zinc/29/73/22/181297322.db2.gz	NEFUYRHJYNCWOI-XDHOZWIPSA-N	-1	0	310.353	3.441	40	30		DGEBRM
Cc1ccc(NC(=S)N/N=C/c2ccc(C(=O)[O-])cc2)cc1	ZINC000006332001	181331165	/nfs/dbraw/zinc/33/11/65/181331165.db2.gz	SCCJDUZJEGAWHU-LICLKQGHSA-N	-1	0	313.382	3.014	40	30		DGEBRM
O=S(=O)([O-])c1ccc(NN=Cc2ccc(Cl)cc2)cc1	ZINC000039944876	183022960	/nfs/dbraw/zinc/02/29/60/183022960.db2.gz	SNVRZMXYRZSEAX-DHDCSXOGSA-N	-1	0	310.762	3.033	40	30		DGEBRM
CCCCCCC[C@@H]1CC2=CC(=O)C(C(=O)[O-])C(=O)C2=CO1	ZINC000014276778	257215213	/nfs/dbraw/zinc/21/52/13/257215213.db2.gz	PHKVCHUVTDZCMQ-GFCCVEGCSA-N	-1	0	306.358	3.426	40	30	biogenic,in-vitro	DGEBRM
O=[N+]([O-])c1cccc(C=NNc2ccc3ccccc3n2)c1[O-]	ZINC000013703997	431567574	/nfs/dbraw/zinc/56/75/74/431567574.db2.gz	RLGCDBYMJUKHRX-YVLHZVERSA-N	-1	0	308.297	3.295	40	30	in-vitro	DGEBRM
Cc1c(/N=C/c2cc([N+](=O)[O-])ccc2[O-])cccc1C(=O)[O-]	ZINC000409105049	434598540	/nfs/dbraw/zinc/59/85/40/434598540.db2.gz	IDIYOYILABWZGK-LZYBPNLTSA-N	-1	0	300.270	3.058	40	30		DGEBRM
COc1ccc(/N=C\c2cccn2-c2ccc(C(=O)[O-])cc2)cn1	ZINC000409247500	434599959	/nfs/dbraw/zinc/59/99/59/434599959.db2.gz	HVHDUEIGMVXNOG-UNOMPAQXSA-N	-1	0	321.336	3.330	40	30		DGEBRM
[O-]/N=C(/CC(O)(C(F)(F)F)C(F)(F)F)c1ccccc1	ZINC000005854459	181289862	/nfs/dbraw/zinc/28/98/62/181289862.db2.gz	UQVOYAXWHHOBQI-LSCVHKIXSA-N	-1	0	301.186	3.111	40	30		DGEBRM
O=[N+]([O-])c1cc(/C=N/NCc2ccccc2Cl)ccc1[O-]	ZINC000042646813	400438689	/nfs/dbraw/zinc/43/86/89/400438689.db2.gz	YIRPVAGYAYGJAN-LZYBPNLTSA-N	-1	0	305.721	3.078	40	30		DGEBRM
CCn1c(=O)c(/C=N/c2ccc(O)c(C)c2)c([O-])c2ccccc21	ZINC000104835030	226900936	/nfs/dbraw/zinc/90/09/36/226900936.db2.gz	VNDFTUFIMVEBDV-RGVLZGJSSA-N	-1	0	322.364	3.492	40	30		DGEBRM
CCOc1cc(/C=N/O)ccc1OCc1ccc(C(=O)[O-])cc1	ZINC000409071551	434594482	/nfs/dbraw/zinc/59/44/82/434594482.db2.gz	KCGCJJZXIXKSKU-VCHYOVAHSA-N	-1	0	315.325	3.171	40	30		DGEBRM
C[C@H](Oc1ccc(/C=N\c2ccc(N(C)C)cc2)cc1)C(=O)[O-]	ZINC000408854319	434595008	/nfs/dbraw/zinc/59/50/08/434595008.db2.gz	CLCBSLOCBDIZNI-QXGSTRBFSA-N	-1	0	312.369	3.355	40	30		DGEBRM
Cc1c(/N=C/c2ccc(N3CCOCC3)cc2)cccc1C(=O)[O-]	ZINC000409098836	434598145	/nfs/dbraw/zinc/59/81/45/434598145.db2.gz	MEPMPHWVFOQPCG-DEDYPNTBSA-N	-1	0	324.380	3.280	40	30		DGEBRM
O=c1ccc2cc(/N=C/c3cccc([N+](=O)[O-])c3[O-])ccc2o1	ZINC000006862845	304818099	/nfs/dbraw/zinc/81/80/99/304818099.db2.gz	CKPRWQHLYJUJNM-RQZCQDPDSA-N	-1	0	310.265	3.157	40	30		DGEBRM
COc1cc(C=NNc2ccc(C(=O)[O-])cc2)cc(Cl)c1O	ZINC000032679248	522007224	/nfs/dbraw/zinc/00/72/24/522007224.db2.gz	NAZOXEVPTSQOIB-IUXPMGMMSA-N	-1	0	320.732	3.198	40	30		DGEBRM
CCOc1ccc(C=NNc2ccc(C(=O)[O-])cc2)cc1OC	ZINC000032227839	528373996	/nfs/dbraw/zinc/37/39/96/528373996.db2.gz	WJIDOKLUMGSADX-WQRHYEAKSA-N	-1	0	314.341	3.238	40	30		DGEBRM
Cc1cccc2c1N(CCCOc1ccccc1C)C(=O)/C2=N\[O-]	ZINC000101101784	1199327608	/nfs/dbraw/zinc/32/76/08/1199327608.db2.gz	GDDCFHYVQFXRPI-JZJYNLBNSA-N	-1	0	324.380	3.297	40	30		DGEBRM
N#CC(=NNc1cccc(C(=O)[O-])c1)c1nc2ccccc2s1	ZINC000004292615	181093868	/nfs/dbraw/zinc/09/38/68/181093868.db2.gz	PBMQNHVSKWRHDP-DEDYPNTBSA-N	-1	0	322.349	3.334	40	30		DGEBRM
O=C([O-])c1ccc(/N=C2/C(=O)Nc3ccc(Cl)cc32)cc1	ZINC000003093637	304232581	/nfs/dbraw/zinc/23/25/81/304232581.db2.gz	AMVRQJIWLCFZEP-UHFFFAOYSA-N	-1	0	300.701	3.111	40	30		DGEBRM
COc1cccc(/C=N\c2ccccc2F)c1O[C@H](C)C(=O)[O-]	ZINC000409244988	533390867	/nfs/dbraw/zinc/39/08/67/533390867.db2.gz	LRJFNMGIDPFKQG-XEQXHXIFSA-N	-1	0	317.316	3.437	40	30		DGEBRM
CCOc1cc(/C=N/c2ccc(OC)cc2)cc([N+](=O)[O-])c1[O-]	ZINC000006958998	400094761	/nfs/dbraw/zinc/09/47/61/400094761.db2.gz	WUHIGCCCTDEZPQ-LICLKQGHSA-N	-1	0	316.313	3.458	40	30		DGEBRM
N=C1SC(=Cc2ccccc2O)C([O-])=C1c1nccs1	ZINC000137703666	400596582	/nfs/dbraw/zinc/59/65/82/400596582.db2.gz	XRNXVTIGQZCUOU-NDWBMXITSA-N	-1	0	302.380	3.267	40	30		DGEBRM
Cc1sc([N-]S(=O)(=O)c2ccc(C)cc2)c(C#N)c1C	ZINC000059413140	401092635	/nfs/dbraw/zinc/09/26/35/401092635.db2.gz	MCTPDPUSBKAMJE-UHFFFAOYSA-N	-1	0	306.412	3.346	40	30		DGEBRM
N#Cc1c(=O)[n-]c(-c2ccc3c(c2)OCO3)cc1-c1ccccc1	ZINC000008816522	279493199	/nfs/dbraw/zinc/49/31/99/279493199.db2.gz	IJQLMDBVAOBTBR-UHFFFAOYSA-N	-1	0	316.316	3.309	40	30		DGEBRM
Cc1cc(N=[N+]=[N-])nc([N-]S(=O)(=O)c2ccc(Cl)cc2)n1	ZINC000013635091	431559968	/nfs/dbraw/zinc/55/99/68/431559968.db2.gz	LBCGECDBRLHNIX-UHFFFAOYSA-N	-1	0	324.753	3.181	40	30		DGEBRM
Cc1[n-]n(-c2ccccc2)c(=O)c1C(=O)C=Cc1ccccc1	ZINC000034300880	431819617	/nfs/dbraw/zinc/81/96/17/431819617.db2.gz	JKWJQCCQYSQMAG-OUKQBFOZSA-N	-1	0	304.349	3.370	40	30		DGEBRM
C=CC[C@@]1(C(=O)[O-])CCCN(C(=O)OCc2ccccc2)C1	ZINC000090735425	431894497	/nfs/dbraw/zinc/89/44/97/431894497.db2.gz	GCIRLADWUAJKSS-QGZVFWFLSA-N	-1	0	303.358	3.066	40	30		DGEBRM
COc1cc(/C=N/Cc2ccccc2)ccc1O[C@@H](C)C(=O)[O-]	ZINC000409020454	434594456	/nfs/dbraw/zinc/59/44/56/434594456.db2.gz	POLYIBMFNUJPNA-HCZVKUGISA-N	-1	0	313.353	3.166	40	30		DGEBRM
CCc1ccc(C(=O)C=CNc2ccc(C(=O)[O-])c(O)c2)cc1	ZINC000409178230	434598309	/nfs/dbraw/zinc/59/83/09/434598309.db2.gz	LJDXEADMABQRDF-MDZDMXLPSA-N	-1	0	311.337	3.461	40	30		DGEBRM
Cc1ccc2c(c1)/C(=N/[O-])C(=O)N2CCCOc1ccccc1C	ZINC000101101671	1199327077	/nfs/dbraw/zinc/32/70/77/1199327077.db2.gz	YZRAUCPSDNJHDO-ZZEZOPTASA-N	-1	0	324.380	3.297	40	30		DGEBRM
N#C[C@@H](C(=N\O)/C(=N\[O-])[C@@H](C#N)c1ccccc1)c1ccccc1	ZINC000104286007	432016638	/nfs/dbraw/zinc/01/66/38/432016638.db2.gz	QMGCWINKDOTCDD-DEPSCPTASA-N	-1	0	318.336	3.262	40	30		DGEBRM
CCn1c(=O)c(/C=N/c2cc(C)ccc2O)c([O-])c2ccccc21	ZINC000104835021	432017604	/nfs/dbraw/zinc/01/76/04/432017604.db2.gz	IYSQWUQRUDALEU-RGVLZGJSSA-N	-1	0	322.364	3.492	40	30		DGEBRM
CCn1c(=O)c(C=NNc2ccccc2)c([O-])c2ccccc21	ZINC000006176649	181317964	/nfs/dbraw/zinc/31/79/64/181317964.db2.gz	UKKAHNBHWCONAK-XDHOZWIPSA-N	-1	0	307.353	3.173	40	30		DGEBRM
Cn1c(=O)c(C(=O)/C=C/c2cccs2)c([O-])c2ccccc21	ZINC000100260809	400290903	/nfs/dbraw/zinc/29/09/03/400290903.db2.gz	ROJSRPRMUBBXPE-CMDGGOBGSA-N	-1	0	311.362	3.202	40	30		DGEBRM
O=C1C=C/C(=N\c2ccc([O-])c3ncccc23)c2cccnc21	ZINC000001462746	280247637	/nfs/dbraw/zinc/24/76/37/280247637.db2.gz	BKMFKTWEULWQIS-KGENOOAVSA-N	-1	0	301.305	3.209	40	30		DGEBRM
O=C1c2c(O)ccc(O)c2C(=O)C(Nc2ccccc2)=C1Cl	ZINC000100249642	431981386	/nfs/dbraw/zinc/98/13/86/431981386.db2.gz	KSXRTLSRDXYLLE-UHFFFAOYSA-N	-1	0	315.712	3.039	40	30		DGEBRM
O=C([O-])c1cc(/N=C\c2ccc(N3CCCC3)o2)ccc1O	ZINC000408848561	434592188	/nfs/dbraw/zinc/59/21/88/434592188.db2.gz	RQHMGSZTLSECAN-YVLHZVERSA-N	-1	0	300.314	3.034	40	30		DGEBRM
N#Cc1ccc(/N=C/c2ccc(OCC(=O)[O-])c(Cl)c2)cc1	ZINC000408850701	434593241	/nfs/dbraw/zinc/59/32/41/434593241.db2.gz	CRILQRUSCNCHTJ-DJKKODMXSA-N	-1	0	314.728	3.426	40	30		DGEBRM
COc1cc(OC)c(/C=C/C(=O)c2ccccc2[O-])c(OC)c1	ZINC000005607184	181263056	/nfs/dbraw/zinc/26/30/56/181263056.db2.gz	AMZBRMFEFBZSCE-CMDGGOBGSA-N	-1	0	314.337	3.314	40	30		DGEBRM
O=C([O-])C(C(=O)/C=C/c1cccc(F)c1)=C1SCCS1	ZINC000062716080	257128583	/nfs/dbraw/zinc/12/85/83/257128583.db2.gz	BLYUVFDYEOGIJT-SNAWJCMRSA-N	-1	0	310.371	3.184	40	30		DGEBRM
COC(=O)c1ccc(C)c(/N=C/c2cc([N+](=O)[O-])ccc2[O-])c1	ZINC000005289431	431308125	/nfs/dbraw/zinc/30/81/25/431308125.db2.gz	BKOFREJUSFOHNX-RQZCQDPDSA-N	-1	0	314.297	3.146	40	30		DGEBRM
CC(=O)c1cccc(N=Cc2ccc(O[C@H](C)C(=O)[O-])cc2)c1	ZINC000039557360	431855570	/nfs/dbraw/zinc/85/55/70/431855570.db2.gz	LJDFBNXNFQJNDF-OTGIAGGSSA-N	-1	0	311.337	3.492	40	30		DGEBRM
C/C(=N\c1ccc(O)c(C)c1)c1c([O-])c2ccccc2n(C)c1=O	ZINC000100362603	431981733	/nfs/dbraw/zinc/98/17/33/431981733.db2.gz	PBYUEHXXXQOILQ-UDWIEESQSA-N	-1	0	322.364	3.399	40	30		DGEBRM
O=C([O-])COc1ccc(C=NNc2ccccc2)cc1Cl	ZINC000059248882	431997830	/nfs/dbraw/zinc/99/78/30/431997830.db2.gz	ZDQNBIQZJHVWIB-RQZCQDPDSA-N	-1	0	304.733	3.249	40	30		DGEBRM
COc1cc(C)c(C=NNc2ccc(C(=O)[O-])cc2)cc1OC	ZINC000408549122	434586859	/nfs/dbraw/zinc/58/68/59/434586859.db2.gz	PKPFPKZBZBHUSI-ZDLGFXPLSA-N	-1	0	314.341	3.156	40	30		DGEBRM
CC(C)OC(=O)COc1ccc(/C=N\c2ccccc2O)cc1	ZINC000409187920	434596794	/nfs/dbraw/zinc/59/67/94/434596794.db2.gz	VRRQTEULGMONGL-ODLFYWEKSA-N	-1	0	313.353	3.473	40	30		DGEBRM
CCOC(=O)c1ccc(/N=C/c2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000408905330	434594740	/nfs/dbraw/zinc/59/47/40/434594740.db2.gz	XIZVLNHWUNXOHY-LICLKQGHSA-N	-1	0	314.297	3.228	40	30		DGEBRM
CCCCCCCCCCCCS(=O)(=O)N(C)CC(=O)[O-]	ZINC000100922023	528125301	/nfs/dbraw/zinc/12/53/01/528125301.db2.gz	MFSMQLQLQVDNNZ-UHFFFAOYSA-N	-1	0	321.483	3.254	40	30		DGEBRM
N#C[C@@H](C(=N/O)/C(=N/[O-])[C@@H](C#N)c1ccccc1)c1ccccc1	ZINC000104286019	432016289	/nfs/dbraw/zinc/01/62/89/432016289.db2.gz	QMGCWINKDOTCDD-IXXNFOAGSA-N	-1	0	318.336	3.262	40	30		DGEBRM
Cc1ccccc1C(C#N)=C([O-])C(=O)Nc1cccc(Cl)c1	ZINC000006491566	181345557	/nfs/dbraw/zinc/34/55/57/181345557.db2.gz	ICIFMZDRDVSQMW-OAHLLOKOSA-N	-1	0	312.756	3.463	40	30		DGEBRM
Cc1ccc(C=NNc2nnc3c4ccccc4nc-3[n-]2)s1	ZINC000006815490	181393971	/nfs/dbraw/zinc/39/39/71/181393971.db2.gz	DFCZKQKIRJHMQL-LZYBPNLTSA-N	-1	0	308.370	3.322	40	30		DGEBRM
CCc1ccc(C(=O)C=CN[C@@H](Cc2ccccc2)C(=O)[O-])cc1	ZINC000016161437	182036118	/nfs/dbraw/zinc/03/61/18/182036118.db2.gz	MZFFSYONLLYBMM-SQVRQVGWSA-N	-1	0	323.392	3.231	40	30		DGEBRM
O=C([O-])c1nn(-c2ccccc2)cc1C=NNc1ccccc1	ZINC000072238883	304284802	/nfs/dbraw/zinc/28/48/02/304284802.db2.gz	NLISYLAMPGUXKW-WOJGMQOQSA-N	-1	0	306.325	3.017	40	30		DGEBRM
O=C(COc1ccc(Cl)cc1/C=N\[O-])Nc1ccccc1F	ZINC000110167184	400355595	/nfs/dbraw/zinc/35/55/95/400355595.db2.gz	VWPDONWABPWZLJ-LSCVHKIXSA-N	-1	0	322.723	3.305	40	30		DGEBRM
N#Cc1c2c(sc1[N-]S(=O)(=O)c1ccccc1)CCCC2	ZINC000059503568	401093051	/nfs/dbraw/zinc/09/30/51/401093051.db2.gz	IZEVKDCGHGMJQN-UHFFFAOYSA-N	-1	0	318.423	3.299	40	30		DGEBRM
O=[N+]([O-])c1ccc([O-])c(C=NNC(=S)Cc2ccccc2)c1	ZINC000013589607	431560897	/nfs/dbraw/zinc/56/08/97/431560897.db2.gz	PDTFIAGWAGDHCW-MHWRWJLKSA-N	-1	0	315.354	3.205	40	30		DGEBRM
C=CCc1cc(C(=O)Nc2ccc(C(=O)[O-])cc2)ccc1OC	ZINC000014397903	431590783	/nfs/dbraw/zinc/59/07/83/431590783.db2.gz	MYDXWZRGYDDQKA-UHFFFAOYSA-N	-1	0	311.337	3.374	40	30		DGEBRM
O=C([O-])COc1ccc(/C=N\c2ccccc2O)cc1Cl	ZINC000408844073	434593086	/nfs/dbraw/zinc/59/30/86/434593086.db2.gz	GUQMBNDSXQVTGD-IUXPMGMMSA-N	-1	0	305.717	3.260	40	30		DGEBRM
Cc1cc(C(=O)[O-])ccc1/N=C/c1ccc(N2CCOCC2)cc1	ZINC000409093964	434597202	/nfs/dbraw/zinc/59/72/02/434597202.db2.gz	BZNIQQBEXYXISA-DEDYPNTBSA-N	-1	0	324.380	3.280	40	30		DGEBRM
COc1cc(OC)c(/C=C\C(=O)c2ccccc2[O-])c(OC)c1	ZINC000004896039	181169104	/nfs/dbraw/zinc/16/91/04/181169104.db2.gz	AMZBRMFEFBZSCE-HJWRWDBZSA-N	-1	0	314.337	3.314	40	30		DGEBRM
Cc1cc([O-])c(C(=O)/C=C\c2ccnc3ccccc23)c(=O)o1	ZINC000005488053	181249102	/nfs/dbraw/zinc/24/91/02/181249102.db2.gz	QRCJPMFLWMKQPG-SREVYHEPSA-N	-1	0	307.305	3.098	40	30		DGEBRM
Cc1n[n-]c(=S)n(N=Cc2ccc(-c3ccccc3)cc2)c1=O	ZINC000006685102	181370571	/nfs/dbraw/zinc/37/05/71/181370571.db2.gz	FKLDUZDGRLBWCC-WOJGMQOQSA-N	-1	0	322.393	3.159	40	30		DGEBRM
O=[N+]([O-])c1cc(/C=N/NCc2ccc(Cl)cc2)ccc1[O-]	ZINC000037142993	400393443	/nfs/dbraw/zinc/39/34/43/400393443.db2.gz	XUXCOKGUWJLYGU-RQZCQDPDSA-N	-1	0	305.721	3.078	40	30		DGEBRM
Cc1ccc(/N=C\c2cccc([N+](=O)[O-])c2[O-])cc1[N+](=O)[O-]	ZINC000409103858	229636349	/nfs/dbraw/zinc/63/63/49/229636349.db2.gz	XCKXPZNCWAFTIU-NVNXTCNLSA-N	-1	0	301.258	3.268	40	30		DGEBRM
O=[N+]([O-])c1ccc([O-])c(/C=N/c2nc(Cl)cc(Cl)n2)c1	ZINC000005568283	431312032	/nfs/dbraw/zinc/31/20/32/431312032.db2.gz	SMBROQZOZMQUPY-LHHJGKSTSA-N	-1	0	313.100	3.148	40	30		DGEBRM
C=CCc1c(C)nc2c(-c3ccccc3OC)c(CC)[n-]n2c1=O	ZINC000010338586	431458835	/nfs/dbraw/zinc/45/88/35/431458835.db2.gz	DHBYKAUNGPVODP-UHFFFAOYSA-N	-1	0	323.396	3.298	40	30		DGEBRM
C/C(=N\c1ccccc1O)c1c([O-])c2ccccc2n(C)c1=O	ZINC000100362647	431981711	/nfs/dbraw/zinc/98/17/11/431981711.db2.gz	CPWJVNXYNLBCHF-YBFXNURJSA-N	-1	0	308.337	3.090	40	30		DGEBRM
COc1ccc(/N=C(\C)c2c([O-])c3ccccc3n(C)c2=O)cc1	ZINC000101161153	295063695	/nfs/dbraw/zinc/06/36/95/295063695.db2.gz	MQCBQDJTTYOQOO-UDWIEESQSA-N	-1	0	322.364	3.393	40	30		DGEBRM
COc1ccccc1/N=C(\C)c1c([O-])c2ccccc2n(C)c1=O	ZINC000101161218	295348975	/nfs/dbraw/zinc/34/89/75/295348975.db2.gz	YUELXQRLCZAMMY-UDWIEESQSA-N	-1	0	322.364	3.393	40	30		DGEBRM
COc1cc(/C=N/Cc2ccccc2)ccc1O[C@H](C)C(=O)[O-]	ZINC000409020455	434594032	/nfs/dbraw/zinc/59/40/32/434594032.db2.gz	POLYIBMFNUJPNA-KZKLBEMASA-N	-1	0	313.353	3.166	40	30		DGEBRM
COc1cccc(/C=N\c2cccc(O)c2)c1O[C@@H](C)C(=O)[O-]	ZINC000409222451	434598072	/nfs/dbraw/zinc/59/80/72/434598072.db2.gz	XEMBGTFHEKXOCN-TZQXVGBESA-N	-1	0	315.325	3.003	40	30		DGEBRM
Cc1cccc(OCCN2C(=O)/C(=N\[O-])c3c2c(C)ccc3C)c1	ZINC000046085243	1194353304	/nfs/dbraw/zinc/35/33/04/1194353304.db2.gz	SMMOTRNLTNGQPZ-JZJYNLBNSA-N	-1	0	324.380	3.216	40	30		DGEBRM
O=C([O-])c1ccc(/N=C2\C(=O)Nc3c2cccc3Cl)cc1	ZINC000005678468	304232597	/nfs/dbraw/zinc/23/25/97/304232597.db2.gz	SHTOFORONMGWRU-UHFFFAOYSA-N	-1	0	300.701	3.111	40	30		DGEBRM
O=C(COc1ccc(Cl)cc1/C=N\[O-])Nc1ccc(F)cc1	ZINC000106353907	400326131	/nfs/dbraw/zinc/32/61/31/400326131.db2.gz	HXKBZGWYTMACAL-LSCVHKIXSA-N	-1	0	322.723	3.305	40	30		DGEBRM
COc1cc(/C=N/c2ccc(F)cc2)ccc1O[C@@H](C)C(=O)[O-]	ZINC000409020361	229634975	/nfs/dbraw/zinc/63/49/75/229634975.db2.gz	OMHYOHAELKDKMP-VSMYLPJWSA-N	-1	0	317.316	3.437	40	30		DGEBRM
CCOc1cc([N+](=O)[O-])cc(/C=N/c2c(C)cccc2O)c1[O-]	ZINC000003033959	431280265	/nfs/dbraw/zinc/28/02/65/431280265.db2.gz	ZJNFIBTTYRJKBQ-RQZCQDPDSA-N	-1	0	316.313	3.464	40	30		DGEBRM
Cc1cc2c([n-]c(=S)n(N=Cc3ccccc3O)c2=O)s1	ZINC000008549568	431403981	/nfs/dbraw/zinc/40/39/81/431403981.db2.gz	PDJCYTYXLKVCEE-VIZOYTHASA-N	-1	0	317.395	3.017	40	30		DGEBRM
O=C([O-])COc1ccc(/C=N/Cc2ccccc2)cc1Cl	ZINC000059678441	431998951	/nfs/dbraw/zinc/99/89/51/431998951.db2.gz	DWDMQVHMJWZCEY-VCHYOVAHSA-N	-1	0	303.745	3.423	40	30		DGEBRM
CC(C)OC(=O)COc1ccc(/C=N/c2ccc(O)cc2)cc1	ZINC000409190547	434598279	/nfs/dbraw/zinc/59/82/79/434598279.db2.gz	RZYOFPSLFMSNHT-YBFXNURJSA-N	-1	0	313.353	3.473	40	30		DGEBRM
O=C([O-])C[C@H](n1nc(C(F)F)cc1C(F)F)C(F)(F)F	ZINC000685936509	549809511	/nfs/dbraw/zinc/80/95/11/549809511.db2.gz	CERSQNCSENZOMV-YFKPBYRVSA-N	-1	0	308.153	3.336	40	30		DGEBRM
CCOc1cc2c(cc1/C=N\c1cccc(C(=O)[O-])c1)OCO2	ZINC000409091925	528338155	/nfs/dbraw/zinc/33/81/55/528338155.db2.gz	VTAAQVDNPYDLMF-NVMNQCDNSA-N	-1	0	313.309	3.263	40	30		DGEBRM
Cc1cc2c(c(C)c1)N(CCCOc1ccccc1)C(=O)/C2=N\[O-]	ZINC000046084937	1194353074	/nfs/dbraw/zinc/35/30/74/1194353074.db2.gz	AILIPDSEDGDRGP-JZJYNLBNSA-N	-1	0	324.380	3.297	40	30		DGEBRM
CCCCCCCCCCC[C@@H]1NC(=S)NC([O-])=C1C#N	ZINC000104212276	432015507	/nfs/dbraw/zinc/01/55/07/432015507.db2.gz	BRBYBXAEVFZZFR-KBPBESRZSA-N	-1	0	309.479	3.420	40	30		DGEBRM
O=[N+]([O-])c1cc(Br)ccc1-c1ccc(/C=N/[O-])o1	ZINC000073640479	191335497	/nfs/dbraw/zinc/33/54/97/191335497.db2.gz	YOMOZTWLLKQRLV-AWNIVKPZSA-N	-1	0	311.091	3.425	40	30		DGEBRM
COc1ccc(/C=N/c2cccc([N+](=O)[O-])c2)cc1C(=O)[O-]	ZINC000100287201	431981537	/nfs/dbraw/zinc/98/15/37/431981537.db2.gz	GASVOYTWMORCOT-CXUHLZMHSA-N	-1	0	300.270	3.052	40	30		DGEBRM
COc1cccc(/N=C(\C)c2c([O-])c3ccccc3n(C)c2=O)c1	ZINC000101161100	431983623	/nfs/dbraw/zinc/98/36/23/431983623.db2.gz	VGOZURJUJRXTRU-UDWIEESQSA-N	-1	0	322.364	3.393	40	30		DGEBRM
[O-]/N=C(\CC(O)(C(F)(F)F)C(F)(F)F)c1cccs1	ZINC000102940591	432000624	/nfs/dbraw/zinc/00/06/24/432000624.db2.gz	ITGUSLGHWMHJRN-FZSIALSZSA-N	-1	0	307.215	3.172	40	30		DGEBRM
C=CCc1cc(/C=N/c2ccco2)cc(OC)c1OCC(=O)[O-]	ZINC000408844225	434592039	/nfs/dbraw/zinc/59/20/39/434592039.db2.gz	HIUCQLUKCDNJGC-VCHYOVAHSA-N	-1	0	315.325	3.231	40	30		DGEBRM
O=C([O-])c1ccc(COc2ccc(Cl)cc2/C=N/O)cc1	ZINC000409069644	434595529	/nfs/dbraw/zinc/59/55/29/434595529.db2.gz	MECSEJXUANHXRI-CAOOACKPSA-N	-1	0	305.717	3.425	40	30		DGEBRM
C[C@@H](Oc1ccc(/C=N\c2cccc([N+](=O)[O-])c2)cc1)C(=O)[O-]	ZINC000408856183	434595547	/nfs/dbraw/zinc/59/55/47/434595547.db2.gz	PMZFGCHKEMZYND-VBYYMIJXSA-N	-1	0	314.297	3.197	40	30		DGEBRM
N#Cc1ccc2c(c1)CO[C@@]2(CCC(=O)[O-])c1ccc(F)cc1	ZINC000030731228	303201354	/nfs/dbraw/zinc/20/13/54/303201354.db2.gz	JSYNRZJODZWUKX-SFHVURJKSA-N	-1	0	311.312	3.336	40	30	world	DGEBRM
CC(=NNc1ccccc1)/C(=N\[O-])C(=O)Nc1ccccc1C	ZINC000216874974	336390887	/nfs/dbraw/zinc/39/08/87/336390887.db2.gz	IQXFAZJJENJHLY-CIBLBRIJSA-N	-1	0	310.357	3.252	40	30		DGEBRM
COc1ccc(C=NOC(=S)[N-]C2CCCCC2)cc1OC	ZINC000006411666	523448620	/nfs/dbraw/zinc/44/86/20/523448620.db2.gz	LIFSYCZBLWANGL-GZTJUZNOSA-N	-1	0	322.430	3.262	40	30		DGEBRM
Cc1cc2c(c(C)c1)N(CCOc1ccccc1C)C(=O)/C2=N\[O-]	ZINC000046084913	1194353578	/nfs/dbraw/zinc/35/35/78/1194353578.db2.gz	ORPDISVGBSVSMK-JZJYNLBNSA-N	-1	0	324.380	3.216	40	30		DGEBRM
CCn1c2ccccc2c([O-])c(/C=N/c2ccc(N)cc2)c1=O	ZINC000103461962	432010028	/nfs/dbraw/zinc/01/00/28/432010028.db2.gz	MERSFRXWAIZURP-RGVLZGJSSA-N	-1	0	307.353	3.060	40	30		DGEBRM
CCOC(=O)c1ccc(/N=C\C(Cl)=C(/Cl)C(=O)[O-])cc1	ZINC000017060300	182074269	/nfs/dbraw/zinc/07/42/69/182074269.db2.gz	RFKQBCRSEOQRNQ-CFORFMSPSA-N	-1	0	316.140	3.339	40	30		DGEBRM
COc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(C#N)c1	ZINC000022259031	182315996	/nfs/dbraw/zinc/31/59/96/182315996.db2.gz	VOLOHCUWIHDTGR-UHFFFAOYSA-N	-1	0	322.773	3.021	40	30		DGEBRM
C=CCO[C@@]1(C(F)(F)F)Oc2ccccc2C=C1C(=O)[O-]	ZINC000217811785	257131702	/nfs/dbraw/zinc/13/17/02/257131702.db2.gz	RKELZHZXXKBFPG-CYBMUJFWSA-N	-1	0	300.232	3.008	40	30		DGEBRM
O=C([O-])COc1ccc(/C=N\OCc2ccccc2)cc1Cl	ZINC000408811142	229633507	/nfs/dbraw/zinc/63/35/07/229633507.db2.gz	KKGXETGUBWXPHP-NVMNQCDNSA-N	-1	0	319.744	3.354	40	30		DGEBRM
COc1ccc2c(c1)[C@@]1(C)CCC[C@](C)(C(=O)[O-])C1=CC2=O	ZINC000001609705	431231710	/nfs/dbraw/zinc/23/17/10/431231710.db2.gz	YOSXOPHJNATZRK-MSOLQXFVSA-N	-1	0	300.354	3.350	40	30		DGEBRM
O=C1C(=Cc2ccccc2)C(=O)C(CCc2ccccc2)=C1O	ZINC000001610559	431234090	/nfs/dbraw/zinc/23/40/90/431234090.db2.gz	RIIOFXCSIBZUIM-MUBYSKIDSA-N	-1	0	304.345	3.040	40	30		DGEBRM
Cc1ccc(S(=O)([O-])=NC(=O)Nc2cccc(Cl)c2)cc1	ZINC000003154305	431282959	/nfs/dbraw/zinc/28/29/59/431282959.db2.gz	HGSGMOBRNKXSJY-UHFFFAOYSA-N	-1	0	324.789	3.363	40	30		DGEBRM
COc1cc(/C=N/N=C\c2ccco2)cc(Br)c1O	ZINC000008637402	431402608	/nfs/dbraw/zinc/40/26/08/431402608.db2.gz	WGJYXHAHVQLZRV-AUYDJSIHSA-N	-1	0	323.146	3.209	40	30		DGEBRM
CCCCCCCCCCNC(=O)CS[C@@H](C)C(=O)[O-]	ZINC000100978089	431983438	/nfs/dbraw/zinc/98/34/38/431983438.db2.gz	ADYWYZHUPXOFEW-ZDUSSCGKSA-N	-1	0	303.468	3.450	40	30		DGEBRM
Cc1ccc(/C=C/C(=O)c2c([O-])c3ccccc3n(C)c2=O)cc1	ZINC000100361638	431981612	/nfs/dbraw/zinc/98/16/12/431981612.db2.gz	KUBNBVFWGPFPDU-VAWYXSNFSA-N	-1	0	319.360	3.449	40	30		DGEBRM
COc1cc(/C=N\C2CCCCC2)ccc1O[C@@H](C)C(=O)[O-]	ZINC000409014723	434595759	/nfs/dbraw/zinc/59/57/59/434595759.db2.gz	YGBTYNIVIUKIKI-SJWFJVLYSA-N	-1	0	305.374	3.299	40	30		DGEBRM
O=C([O-])c1cc(/N=C\c2cc([N+](=O)[O-])ccc2Cl)ccc1O	ZINC000409112573	434597641	/nfs/dbraw/zinc/59/76/41/434597641.db2.gz	FBABZRLNECHOGE-APSNUPSMSA-N	-1	0	320.688	3.403	40	30		DGEBRM
COc1cccc(/C=N/c2ccc(C#N)cc2)c1O[C@@H](C)C(=O)[O-]	ZINC000409233502	434597765	/nfs/dbraw/zinc/59/77/65/434597765.db2.gz	SPCNYOHUGLKTBG-DQAKUKQTSA-N	-1	0	324.336	3.169	40	30		DGEBRM
COc1cc(C=NNc2ccc(C)cc2C)cc([N+](=O)[O-])c1[O-]	ZINC000034800077	521993174	/nfs/dbraw/zinc/99/31/74/521993174.db2.gz	YRBFZJSFHMMBJH-RQZCQDPDSA-N	-1	0	315.329	3.372	40	30		DGEBRM
CCn1c(=O)c(/C=N/c2ccc(O)cc2C)c([O-])c2ccccc21	ZINC000005674684	181270942	/nfs/dbraw/zinc/27/09/42/181270942.db2.gz	DXCMJQFNEPMOCM-RGVLZGJSSA-N	-1	0	322.364	3.492	40	30		DGEBRM
COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)[O-])cc2)cc1	ZINC000005822606	181286782	/nfs/dbraw/zinc/28/67/82/181286782.db2.gz	QAPTYDCXRZEIMB-NYYWCZLTSA-N	-1	0	312.321	3.055	40	30		DGEBRM
N#CCn1c(/C=C/c2ccc(C(=O)[O-])cc2)nc2ccccc21	ZINC000485972370	244946738	/nfs/dbraw/zinc/94/67/38/244946738.db2.gz	DKPXBLXSZBALGX-JXMROGBWSA-N	-1	0	303.321	3.428	40	30		DGEBRM
N#Cc1cccc([C@@H](CC(=O)[O-])NC(=O)OCc2ccccc2)c1	ZINC000038580554	183003126	/nfs/dbraw/zinc/00/31/26/183003126.db2.gz	XTGAKQCDZRLPFO-MRXNPFEDSA-N	-1	0	324.336	3.000	40	30		DGEBRM
O=C([O-])C(C(=O)/C=C/c1ccc(F)cc1)=C1SCCS1	ZINC000062716079	257128957	/nfs/dbraw/zinc/12/89/57/257128957.db2.gz	WAUAOFVJASEHSZ-ZZXKWVIFSA-N	-1	0	310.371	3.184	40	30		DGEBRM
COc1cc(C)c(/C=N\c2ccc(O)c(C(=O)[O-])c2)cc1OC	ZINC000408548399	533564912	/nfs/dbraw/zinc/56/49/12/533564912.db2.gz	HRHZNYNOXHIIBW-NVMNQCDNSA-N	-1	0	315.325	3.167	40	30		DGEBRM
CCc1nnc(C2=C([O-])C(=Cc3ccco3)SC2=N)s1	ZINC000136340588	400591383	/nfs/dbraw/zinc/59/13/83/400591383.db2.gz	NBJCRTZWHJLDBK-QKJFNYBUSA-N	-1	0	305.384	3.111	40	30		DGEBRM
Cn1c(=O)c(C(=O)/C=C/Cc2ccccc2)c([O-])c2ccccc21	ZINC000100361644	431981509	/nfs/dbraw/zinc/98/15/09/431981509.db2.gz	UCDWGVBUUOLEGU-NTUHNPAUSA-N	-1	0	319.360	3.226	40	30		DGEBRM
CCn1c(=O)c(/C(C)=N/c2nccs2)c([O-])c2ccccc21	ZINC000101161018	431983601	/nfs/dbraw/zinc/98/36/01/431983601.db2.gz	HMVWCXVBGAJLEM-VCHYOVAHSA-N	-1	0	313.382	3.324	40	30		DGEBRM
C#CCOc1ccc(CNc2cccc(C(=O)[O-])c2)cc1OC	ZINC000408602942	434590067	/nfs/dbraw/zinc/59/00/67/434590067.db2.gz	BNVOVKVAIXKVOU-UHFFFAOYSA-N	-1	0	311.337	3.018	40	30		DGEBRM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1ccc([N+](=O)[O-])cc1	ZINC000408740127	434593574	/nfs/dbraw/zinc/59/35/74/434593574.db2.gz	INKHLWXVOQJORZ-YCPFAOKUSA-N	-1	0	322.324	3.336	40	30		DGEBRM
Cc1ccc(/N=C\c2ccc([O-])c([N+](=O)[O-])c2)cc1[N+](=O)[O-]	ZINC000408962620	434595893	/nfs/dbraw/zinc/59/58/93/434595893.db2.gz	ILHMSUZALTVELB-NVNXTCNLSA-N	-1	0	301.258	3.268	40	30		DGEBRM
COc1cccc(/C=N\c2ccccc2O)c1O[C@@H](C)C(=O)[O-]	ZINC000409243546	434599320	/nfs/dbraw/zinc/59/93/20/434599320.db2.gz	SHPPOAZQRLWRIW-TZQXVGBESA-N	-1	0	315.325	3.003	40	30		DGEBRM
COc1cccc(/C=N\c2ccccc2F)c1O[C@@H](C)C(=O)[O-]	ZINC000409244987	434599922	/nfs/dbraw/zinc/59/99/22/434599922.db2.gz	LRJFNMGIDPFKQG-ORPVNXHJSA-N	-1	0	317.316	3.437	40	30		DGEBRM
COc1ccccc1CN1C(=O)/C(=N\[O-])c2cccc(Cl)c21	ZINC000046084734	1194353390	/nfs/dbraw/zinc/35/33/90/1194353390.db2.gz	OWAJPTPXUBKDBP-JXAWBTAJSA-N	-1	0	316.744	3.074	40	30		DGEBRM