smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCc1cccc(C=NNc2ccc3ccccc3n2)c1[O-]	ZINC000004116129	181075570	/nfs/dbraw/zinc/07/55/70/181075570.db2.gz	UGULIDAOBZKPGF-DEDYPNTBSA-N	-1	3	303.365	4.115	50	30		DIEAHM
O=C(CCCCCCSc1ccc2ccccc2c1)N[O-]	ZINC000019862625	182158304	/nfs/dbraw/zinc/15/83/04/182158304.db2.gz	KPNNXHVGOKRBEF-UHFFFAOYSA-N	-1	3	303.427	4.388	50	30	in-vitro	DIEAHM
Cc1c2cc(F)ccc2oc1C(=O)[N-]c1sccc1C#N	ZINC000020676651	182243065	/nfs/dbraw/zinc/24/30/65/182243065.db2.gz	YMWGGGFCCUPOBF-UHFFFAOYSA-N	-1	3	300.314	4.066	50	30		DIEAHM
C[C@@H](/N=C/c1cc(Br)ccc1[O-])c1ccc(F)cc1	ZINC000044835661	563462280	/nfs/dbraw/zinc/46/22/80/563462280.db2.gz	MWSHGXVBUFSLOI-SVXRXWARSA-N	-1	3	322.177	4.474	50	30		DIEAHM
[O-]c1ccc(Br)cc1/C=N/c1ccc2c(c1)CCC2	ZINC000044835816	563462482	/nfs/dbraw/zinc/46/24/82/563462482.db2.gz	CWRQOEACNWBALP-VCHYOVAHSA-N	-1	3	316.198	4.394	50	30		DIEAHM
[O-]c1ccccc1C=Nc1c(-c2ccco2)nc2ccccn21	ZINC000252598470	563610642	/nfs/dbraw/zinc/61/06/42/563610642.db2.gz	DBHUVHSADUHVTP-UHFFFAOYSA-N	-1	3	303.321	4.051	50	30		DIEAHM
CCCCCCCCO[N-]C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000100844494	563645847	/nfs/dbraw/zinc/64/58/47/563645847.db2.gz	UNQONQROPSHDIQ-UHFFFAOYSA-N	-1	3	309.366	4.008	50	30		DIEAHM
N#Cc1ccc(CSc2nc3ccccc3c(=S)[n-]2)cc1	ZINC000006848212	563897043	/nfs/dbraw/zinc/89/70/43/563897043.db2.gz	FEJLXBRBKGHBQS-UHFFFAOYSA-N	-1	3	309.419	4.082	50	30		DIEAHM
[O-]c1cccc(C=Nc2c(-c3ccco3)nc3ccccn32)c1	ZINC000252636363	563920258	/nfs/dbraw/zinc/92/02/58/563920258.db2.gz	XIGLYAHAKVWSOI-UHFFFAOYSA-N	-1	3	303.321	4.051	50	30		DIEAHM
FC(F)(F)c1cccc(NN=C2c3ccccc3[N-]C2=S)c1	ZINC000005776102	181282920	/nfs/dbraw/zinc/28/29/20/181282920.db2.gz	LRDFRRMXMKMSPZ-UHFFFAOYSA-N	-1	3	321.327	4.275	50	30		DIEAHM
CCOc1cc(/C=N/[O-])cc(Cl)c1OCc1ccccc1	ZINC000016688628	182057239	/nfs/dbraw/zinc/05/72/39/182057239.db2.gz	OJVYTPVTWRTPNI-VCHYOVAHSA-N	-1	3	305.761	4.126	50	30		DIEAHM
Cc1ccnc(/N=C/c2c3c(ccc2[O-])oc2c3CCCC2)c1	ZINC000017885454	182086941	/nfs/dbraw/zinc/08/69/41/182086941.db2.gz	OYPNGOUOGCXDNR-SRZZPIQSSA-N	-1	3	306.365	4.471	50	30		DIEAHM
Cc1ccc(C/N=C/c2cc(Br)ccc2[O-])cc1	ZINC000057411884	184037504	/nfs/dbraw/zinc/03/75/04/184037504.db2.gz	HJEKWQUZJXVKRD-LICLKQGHSA-N	-1	3	304.187	4.082	50	30		DIEAHM
[O-]c1ccccc1/N=C/c1cc(Cc2ccccc2)ccc1O	ZINC000067341092	184461493	/nfs/dbraw/zinc/46/14/93/184461493.db2.gz	JRXOPLFCPZIHPR-KGENOOAVSA-N	-1	3	303.361	4.439	50	30		DIEAHM
O=C1c2cc(Cl)cc(Cl)c2O/C1=C\c1ccc(O)cc1[O-]	ZINC000299738180	257256182	/nfs/dbraw/zinc/25/61/82/257256182.db2.gz	GTURAHQUARQRJP-DXNYSGJVSA-N	-1	3	323.131	4.021	50	30		DIEAHM
N#CC(=C([O-])c1cccc(Oc2ccccc2)c1)c1ccccn1	ZINC000006831149	526509182	/nfs/dbraw/zinc/50/91/82/526509182.db2.gz	IDYCRHXXEFVCCM-SFHVURJKSA-N	-1	3	314.344	4.364	50	30		DIEAHM
CCOc1ccc(/N=C/c2ccc(N(CC)CC)cc2[O-])cc1	ZINC000000065078	563212368	/nfs/dbraw/zinc/21/23/68/563212368.db2.gz	LWPHQRJGMVASMM-XSFVSMFZSA-N	-1	3	312.413	4.388	50	30		DIEAHM
O=C(Nc1ccccc1)c1ccccc1/N=C/c1ccc([O-])cc1	ZINC000000587509	563268484	/nfs/dbraw/zinc/26/84/84/563268484.db2.gz	UDRWHNXCJSRIBO-KGENOOAVSA-N	-1	3	316.360	4.395	50	30		DIEAHM
[O-]c1ccc2ccccc2c1CN=NC(=S)Nc1ccccc1	ZINC000001969757	563297844	/nfs/dbraw/zinc/29/78/44/563297844.db2.gz	RISBHRGHXBAQJW-XDHOZWIPSA-N	-1	3	321.405	4.277	50	30		DIEAHM
O=[N+]([O-])c1ccc(F)c(N=Cc2c([O-])ccc3ccccc23)c1	ZINC000252462529	563915316	/nfs/dbraw/zinc/91/53/16/563915316.db2.gz	TWLOMCJDXNBXHZ-UHFFFAOYSA-N	-1	3	310.284	4.343	50	30		DIEAHM
[O-]c1ccccc1C=NN(Cc1ccccc1)Cc1ccccc1	ZINC000252605887	563917561	/nfs/dbraw/zinc/91/75/61/563917561.db2.gz	GOHAPUSOUDXCJZ-UHFFFAOYSA-N	-1	3	316.404	4.429	50	30		DIEAHM
CCN(CC)c1ccc(/C=C2\Cc3c(cccc3[O-])C2=O)cc1	ZINC000011335857	563928211	/nfs/dbraw/zinc/92/82/11/563928211.db2.gz	MYVGHEGEQXNXAH-NTCAYCPXSA-N	-1	3	307.393	4.061	50	30		DIEAHM
C=C(C)COc1ccc(-c2n[nH]cc2-c2ccccc2)c([O-])c1	ZINC000013126260	563929292	/nfs/dbraw/zinc/92/92/92/563929292.db2.gz	HAGPFTHZSPKRPK-UHFFFAOYSA-N	-1	3	306.365	4.404	50	30		DIEAHM
[O-]c1c(O)ccc(C=Nc2ccc3oc4ccccc4c3c2)c1O	ZINC000254403505	1047204972	/nfs/dbraw/zinc/20/49/72/1047204972.db2.gz	BXLSTCXWKBIZIP-UHFFFAOYSA-N	-1	3	319.316	4.453	50	30		DIEAHM
COc1cc(/C=C\C(=O)c2ccc(Cl)s2)cc(OC)c1[O-]	ZINC000096766569	185386724	/nfs/dbraw/zinc/38/67/24/185386724.db2.gz	CSRPVUUISQIDMM-ARJAWSKDSA-N	-1	3	324.785	4.020	50	30		DIEAHM
COc1cc(C(=O)/C=C\c2ccc3ccccc3c2)ccc1[O-]	ZINC000096792769	185388386	/nfs/dbraw/zinc/38/83/86/185388386.db2.gz	OAGVNDJNFSRJHP-YFHOEESVSA-N	-1	3	304.345	4.450	50	30		DIEAHM
O=C(/C=C\c1cccc(Br)c1)c1cccc([O-])c1	ZINC000096792708	185388587	/nfs/dbraw/zinc/38/85/87/185388587.db2.gz	WFTJGIHTMBIWPB-FPLPWBNLSA-N	-1	3	303.155	4.051	50	30		DIEAHM
C=CCn1c(-c2ccccc2)cs/c1=N\c1ccc([O-])cc1	ZINC000004567482	181125451	/nfs/dbraw/zinc/12/54/51/181125451.db2.gz	YURUQTAGDWBNTK-HNENSFHCSA-N	-1	3	308.406	4.341	50	30		DIEAHM
C=CCN=C([S-])NN=Cc1c(Cl)ccc(Cl)c1Cl	ZINC000005009683	181189847	/nfs/dbraw/zinc/18/98/47/181189847.db2.gz	QKHYANPVFUPYAU-SOFYXZRVSA-N	-1	3	322.648	4.042	50	30		DIEAHM
C=CCc1cccc(C=NN=c2[nH]c3ccccc3s2)c1[O-]	ZINC000005022750	181191892	/nfs/dbraw/zinc/19/18/92/181191892.db2.gz	SUUNNFSRBQKOBQ-WOJGMQOQSA-N	-1	3	309.394	4.176	50	30		DIEAHM
[O-]c1ccc(Br)cc1/C=N/c1cc(F)ccc1F	ZINC000005287438	181226219	/nfs/dbraw/zinc/22/62/19/181226219.db2.gz	NYGZHXIFHDGETP-REZTVBANSA-N	-1	3	312.113	4.184	50	30		DIEAHM
C[C@H](/N=C/c1cc(Br)ccc1[O-])c1ccccc1	ZINC000018032605	182090307	/nfs/dbraw/zinc/09/03/07/182090307.db2.gz	OISFOSGBMZIRQI-MUOOZZNISA-N	-1	3	304.187	4.335	50	30		DIEAHM
Cn1nc(-c2ccccc2)c(/C=N/[O-])c1Sc1ccccc1	ZINC000100271490	256562289	/nfs/dbraw/zinc/56/22/89/256562289.db2.gz	RFVMGRIINLDLNR-LDADJPATSA-N	-1	3	309.394	4.046	50	30		DIEAHM
CC(C)c1cc(C(=O)N2CCC[C@H](C#N)C2)c([O-])c(C(C)C)c1	ZINC000218598568	257274145	/nfs/dbraw/zinc/27/41/45/257274145.db2.gz	BVQLBZDEYJRLQO-CQSZACIVSA-N	-1	3	314.429	4.015	50	30		DIEAHM
O=C1c2c(c(Cl)ccc2Cl)O/C1=C\c1ccc([O-])c(O)c1	ZINC000299738297	257256205	/nfs/dbraw/zinc/25/62/05/257256205.db2.gz	RMBMUEZTXDBIQH-SDQBBNPISA-N	-1	3	323.131	4.021	50	30		DIEAHM
C/C(=C\C(=N\c1ccccc1[O-])c1ccccn1)c1ccccn1	ZINC000004901658	518416996	/nfs/dbraw/zinc/41/69/96/518416996.db2.gz	KPOKXRVLYZFJDR-IRRNVPFUSA-N	-1	3	315.376	4.407	50	30		DIEAHM
N#CC(=C([O-])c1cccc(Oc2ccccc2)c1)c1ccccn1	ZINC000006831150	526493853	/nfs/dbraw/zinc/49/38/53/526493853.db2.gz	IDYCRHXXEFVCCM-GOSISDBHSA-N	-1	3	314.344	4.364	50	30		DIEAHM
COC(=O)c1ccc(/N=C/c2c([O-])ccc3ccccc32)cc1	ZINC000000295232	563237248	/nfs/dbraw/zinc/23/72/48/563237248.db2.gz	HHKKCEBYWYGKEP-UDWIEESQSA-N	-1	3	305.333	4.083	50	30		DIEAHM
CCN(CC)c1ccc(C=Nc2ccc(C(C)=O)cc2)c([O-])c1	ZINC000000340234	563242085	/nfs/dbraw/zinc/24/20/85/563242085.db2.gz	PDGXZXRPVKHTBS-DEDYPNTBSA-N	-1	3	310.397	4.192	50	30		DIEAHM
CCOc1cc(/C=N/[O-])ccc1OCc1ccccc1Cl	ZINC000011958062	563361222	/nfs/dbraw/zinc/36/12/22/563361222.db2.gz	SVXHLGSBCOADET-VCHYOVAHSA-N	-1	3	305.761	4.126	50	30		DIEAHM
CCCOc1ccc(C/N=C/c2cc(Cl)ccc2[O-])cc1	ZINC000098212991	563544364	/nfs/dbraw/zinc/54/43/64/563544364.db2.gz	DSIMYOMEBJWCTF-XDHOZWIPSA-N	-1	3	303.789	4.454	50	30		DIEAHM
N#Cc1c([N-]C(=O)c2c(F)cccc2F)sc2c1CCCC2	ZINC000000031271	563604245	/nfs/dbraw/zinc/60/42/45/563604245.db2.gz	AFQUCORIUYTYIT-UHFFFAOYSA-N	-1	3	318.348	4.029	50	30		DIEAHM
C=CCc1cccc(C=Cc2cc(=O)c3ccccc3[nH]2)c1[O-]	ZINC000008685281	563835119	/nfs/dbraw/zinc/83/51/19/563835119.db2.gz	LGICBOUKJBTSKN-VAWYXSNFSA-N	-1	3	303.361	4.133	50	30		DIEAHM
N#CC(=C([O-])C=C(C1CC1)C1CC1)c1ccc(C(F)(F)F)cn1	ZINC000054430062	563913833	/nfs/dbraw/zinc/91/38/33/563913833.db2.gz	PWGYRGCKZXXJDU-CQSZACIVSA-N	-1	3	320.314	4.023	50	30		DIEAHM
[O-]c1ccccc1C=Nc1ncccc1OCc1ccccc1	ZINC000252600230	563917449	/nfs/dbraw/zinc/91/74/49/563917449.db2.gz	DPDOHSGHJMNTFL-UHFFFAOYSA-N	-1	3	304.349	4.117	50	30		DIEAHM
COc1ccc(OC)c(N=Cc2c([O-])cc(C)c(Cl)c2C)c1	ZINC000252619981	563918328	/nfs/dbraw/zinc/91/83/28/563918328.db2.gz	LVJIQGLTOADGGP-UHFFFAOYSA-N	-1	3	319.788	4.430	50	30		DIEAHM
O=C(Nc1ccc(N=Cc2ccccc2[O-])cc1)c1ccccc1	ZINC000252619425	563918363	/nfs/dbraw/zinc/91/83/63/563918363.db2.gz	LPBCLDUJLFHRLN-UHFFFAOYSA-N	-1	3	316.360	4.395	50	30		DIEAHM
Cc1csc(-c2ccc(C([O-])=C(C#N)c3ccccn3)cc2)n1	ZINC000071849867	563959314	/nfs/dbraw/zinc/95/93/14/563959314.db2.gz	RJRXNCSMBWJAFF-OAHLLOKOSA-N	-1	3	319.389	4.004	50	30		DIEAHM
CC(=NN=c1[nH]c2ccccc2[nH]1)c1ccc2ccccc2c1[O-]	ZINC000254396359	1049716776	/nfs/dbraw/zinc/71/67/76/1049716776.db2.gz	LMFZUYIPWQTHSU-UHFFFAOYSA-N	-1	3	316.364	4.258	50	30		DIEAHM
COc1cc(/C=C\C(=O)c2cccc(F)c2)cc(Cl)c1[O-]	ZINC000096766330	185386628	/nfs/dbraw/zinc/38/66/28/185386628.db2.gz	VMZYTSGGULJISX-WAYWQWQTSA-N	-1	3	306.720	4.089	50	30		DIEAHM
COc1cc(/C=C\C(=O)c2ccc(C)cc2)cc(Cl)c1[O-]	ZINC000096766203	185386637	/nfs/dbraw/zinc/38/66/37/185386637.db2.gz	DQUFBVXZRAENJT-YVMONPNESA-N	-1	3	302.757	4.259	50	30		DIEAHM
COc1cc(/C=C\C(=O)c2ccc(F)cc2)cc(Cl)c1[O-]	ZINC000096766555	185386649	/nfs/dbraw/zinc/38/66/49/185386649.db2.gz	GLTUOYTVXMGJNW-UQCOIBPSSA-N	-1	3	306.720	4.089	50	30		DIEAHM
O=C1c2cccc([O-])c2C/C1=C\c1csc(Br)c1	ZINC000097015654	185397319	/nfs/dbraw/zinc/39/73/19/185397319.db2.gz	USFUKFNZNXLHIJ-RUDMXATFSA-N	-1	3	321.195	4.039	50	30		DIEAHM
Cc1ccc(F)cc1/N=C/c1cc(Br)ccc1[O-]	ZINC000005287300	181226402	/nfs/dbraw/zinc/22/64/02/181226402.db2.gz	PRVHEOVRDFSYEO-CAOOACKPSA-N	-1	3	308.150	4.353	50	30		DIEAHM
CCOc1ccc(/N=C/c2cc(Br)ccc2[O-])cc1	ZINC000017023266	182068425	/nfs/dbraw/zinc/06/84/25/182068425.db2.gz	RWTSBLZRCLRZSA-LICLKQGHSA-N	-1	3	320.186	4.304	50	30		DIEAHM
Cn1c2ccccc2nc1/N=C/c1c([O-])ccc2ccccc21	ZINC000018168847	182095861	/nfs/dbraw/zinc/09/58/61/182095861.db2.gz	RVIQFZNHDLEALN-UDWIEESQSA-N	-1	3	301.349	4.183	50	30		DIEAHM
CC(C)c1cc(C(=O)N2CCC[C@@H](C#N)C2)c([O-])c(C(C)C)c1	ZINC000218598490	257274132	/nfs/dbraw/zinc/27/41/32/257274132.db2.gz	BVQLBZDEYJRLQO-AWEZNQCLSA-N	-1	3	314.429	4.015	50	30		DIEAHM
CCn1cc(/C=C2\Oc3c(ccc([O-])c3C)C2=O)c2ccccc21	ZINC000026439499	523306975	/nfs/dbraw/zinc/30/69/75/523306975.db2.gz	BTBLYQKTCPHXIJ-ZDLGFXPLSA-N	-1	3	319.360	4.291	50	30		DIEAHM
[O-]/N=C(/CCC/C(=N/O)c1ccc(F)cc1)c1ccc(F)cc1	ZINC000013550780	527587539	/nfs/dbraw/zinc/58/75/39/527587539.db2.gz	LKCRVSJZLQAMSA-ISPAOBMBSA-N	-1	3	318.323	4.192	50	30		DIEAHM
[O-]c1ccccc1/C=N/N=C(c1ccccc1)c1ccccc1	ZINC000000431934	563253474	/nfs/dbraw/zinc/25/34/74/563253474.db2.gz	ONUUIQINIDRSDE-RCCKNPSSSA-N	-1	3	300.361	4.264	50	30		DIEAHM
CC1=CC(C)(C)N2C(=O)/C(=N/c3ccc([O-])cc3)c3cccc1c32	ZINC000012407342	563369324	/nfs/dbraw/zinc/36/93/24/563369324.db2.gz	UTGYZGNKOLFHAP-HEHNFIMWSA-N	-1	3	318.376	4.055	50	30		DIEAHM
O=C1c2cccc([O-])c2C/C1=C/c1cc(Br)cs1	ZINC000011336180	563520672	/nfs/dbraw/zinc/52/06/72/563520672.db2.gz	BOKPPXIWLGZFGE-YWEYNIOJSA-N	-1	3	321.195	4.039	50	30		DIEAHM
COc1cc(Br)cc(/C=N\c2ccc(C)cc2)c1[O-]	ZINC000100296849	563548998	/nfs/dbraw/zinc/54/89/98/563548998.db2.gz	MQBZAJXPCGJYSZ-MFOYZWKCSA-N	-1	3	320.186	4.222	50	30		DIEAHM
[O-]c1ccccc1/C=N/c1ncccc1OCc1ccccc1	ZINC000103060154	563560526	/nfs/dbraw/zinc/56/05/26/563560526.db2.gz	DPDOHSGHJMNTFL-FYJGNVAPSA-N	-1	3	304.349	4.117	50	30		DIEAHM
CCc1cccc(/N=C\c2cc(Br)ccc2[O-])c1	ZINC000044835807	563684688	/nfs/dbraw/zinc/68/46/88/563684688.db2.gz	GJOBWBLIUFJOGH-YVLHZVERSA-N	-1	3	304.187	4.468	50	30		DIEAHM
CCCCCCCCOc1cc(C)c(-c2nnn[n-]2)cc1C	ZINC000108807484	563689200	/nfs/dbraw/zinc/68/92/00/563689200.db2.gz	BDACDUPWEANDQZ-UHFFFAOYSA-N	-1	3	302.422	4.223	50	30		DIEAHM
CCCCCCCCOc1cc(C)c(-c2nn[n-]n2)cc1C	ZINC000108807484	563689204	/nfs/dbraw/zinc/68/92/04/563689204.db2.gz	BDACDUPWEANDQZ-UHFFFAOYSA-N	-1	3	302.422	4.223	50	30		DIEAHM
Cc1[nH]nc(N=Cc2ccccc2[O-])c1-c1ccc(Cl)cc1	ZINC000252615878	563917947	/nfs/dbraw/zinc/91/79/47/563917947.db2.gz	JWKDRQQAXSTMBT-UHFFFAOYSA-N	-1	3	311.772	4.495	50	30		DIEAHM
Brc1ccccc1C=N[N-]c1nc2ccccc2o1	ZINC000013147102	1040589017	/nfs/dbraw/zinc/58/90/17/1040589017.db2.gz	RCWXPSMXNMRUDU-UHFFFAOYSA-N	-1	3	316.158	4.036	50	30		DIEAHM
COc1cc(C(=O)/C=C/c2ccc3ccccc3c2)ccc1[O-]	ZINC000008322763	1044725897	/nfs/dbraw/zinc/72/58/97/1044725897.db2.gz	OAGVNDJNFSRJHP-JXMROGBWSA-N	-1	3	304.345	4.450	50	30		DIEAHM
COc1cc(/C=C2/CCc3ccccc3C2=O)cc(Cl)c1[O-]	ZINC000096766585	185387015	/nfs/dbraw/zinc/38/70/15/185387015.db2.gz	YCKJPLBEXHMHSX-JYRVWZFOSA-N	-1	3	314.768	4.267	50	30		DIEAHM
[O-]c1ccc(Br)cc1/C=N/CCC1=CCCCC1	ZINC000004602641	181129283	/nfs/dbraw/zinc/12/92/83/181129283.db2.gz	SHUBLRUGSLWYIT-GZTJUZNOSA-N	-1	3	308.219	4.464	50	30		DIEAHM
O=C(/C=C/c1ccc(Br)cc1)c1cccc([O-])c1	ZINC000004649235	181132271	/nfs/dbraw/zinc/13/22/71/181132271.db2.gz	IIRXFNIZXUTCQA-RMKNXTFCSA-N	-1	3	303.155	4.051	50	30		DIEAHM
Oc1ccc2ccccc2c1C=N[N-]c1nc2ccccc2o1	ZINC000004746678	181146788	/nfs/dbraw/zinc/14/67/88/181146788.db2.gz	TYARRTRIOQLGGW-YBFXNURJSA-N	-1	3	303.321	4.133	50	30		DIEAHM
COc1ccc(/C(=N\[O-])[C@H]2C[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000005526808	181253667	/nfs/dbraw/zinc/25/36/67/181253667.db2.gz	NLXXWGSPQSMEKT-WMYGCIETSA-N	-1	3	301.773	4.331	50	30		DIEAHM
C=C(C)COc1cc([O-])c2c(c1)oc(-c1ccccc1)cc2=O	ZINC000005685821	181272390	/nfs/dbraw/zinc/27/23/90/181272390.db2.gz	PDNOGDKAVIGMCM-UHFFFAOYSA-N	-1	3	308.333	4.121	50	30	biogenic	DIEAHM
O=C(/C=C/c1cccc(Br)c1)c1cccc([O-])c1	ZINC000013141340	181832886	/nfs/dbraw/zinc/83/28/86/181832886.db2.gz	WFTJGIHTMBIWPB-BQYQJAHWSA-N	-1	3	303.155	4.051	50	30		DIEAHM
Cc1cccc(/N=C/c2c3c(ccc2[O-])oc2c3CCCC2)n1	ZINC000017917927	182087496	/nfs/dbraw/zinc/08/74/96/182087496.db2.gz	URYCQBDIEBTRTH-RGVLZGJSSA-N	-1	3	306.365	4.471	50	30		DIEAHM
[O-]c1ccccc1/C=N/[C@H](c1ccccc1)[C@H](O)c1ccccc1	ZINC000018085899	182092814	/nfs/dbraw/zinc/09/28/14/182092814.db2.gz	BCYPKVNJMLMPFO-HEHNLYSKSA-N	-1	3	317.388	4.286	50	30		DIEAHM
Cc1cc(C)c(C([O-])=Cc2nc3ccccc3[nH]c2=O)c(C)c1	ZINC000017918356	182088023	/nfs/dbraw/zinc/08/80/23/182088023.db2.gz	HDQRCXZIFUVSEK-MHWRWJLKSA-N	-1	3	306.365	4.392	50	30		DIEAHM
O=C1c2c(c(Cl)ccc2Cl)O/C1=C\c1ccc([O-])cc1	ZINC000299738207	257256110	/nfs/dbraw/zinc/25/61/10/257256110.db2.gz	JQCKQQMQMAAZHY-GHXNOFRVSA-N	-1	3	307.132	4.315	50	30		DIEAHM
[O-]c1ccccc1/C=N/N(Cc1ccccc1)c1ccccc1	ZINC000004405458	526370034	/nfs/dbraw/zinc/37/00/34/526370034.db2.gz	LEQQOYPNVRSCDK-RCCKNPSSSA-N	-1	3	302.377	4.433	50	30		DIEAHM
CC(=O)N(C)c1ccc(/N=C/c2c([O-])ccc3ccccc32)cc1	ZINC000013126567	563378859	/nfs/dbraw/zinc/37/88/59/563378859.db2.gz	PGOPGDACDQVNKB-FYJGNVAPSA-N	-1	3	318.376	4.279	50	30		DIEAHM
COc1cc(Br)cc(/C=N/c2ccc(F)cc2)c1[O-]	ZINC000100318841	563549467	/nfs/dbraw/zinc/54/94/67/563549467.db2.gz	LNJWIBREDXCBRL-CAOOACKPSA-N	-1	3	324.149	4.053	50	30		DIEAHM
CCc1ccc([O-])c(/N=C/c2ccc(Br)cc2)c1	ZINC000102424674	563559427	/nfs/dbraw/zinc/55/94/27/563559427.db2.gz	XPEDWPWAZRCYEN-LICLKQGHSA-N	-1	3	304.187	4.468	50	30		DIEAHM
Cc1cc(/N=C/c2ccccc2[O-])ccc1NC(=O)c1ccco1	ZINC000102422494	563559519	/nfs/dbraw/zinc/55/95/19/563559519.db2.gz	QPOIPPBPRZRFNS-UDWIEESQSA-N	-1	3	320.348	4.297	50	30		DIEAHM
CSc1nc2ccc(/N=C/c3ccc([O-])cc3)cc2s1	ZINC000000135672	563572175	/nfs/dbraw/zinc/57/21/75/563572175.db2.gz	AFWDWAYIQWNIQG-CXUHLZMHSA-N	-1	3	300.408	4.474	50	30		DIEAHM
O=C(/C=C/c1ccc(Br)s1)c1cccc([O-])c1	ZINC000008322459	563721270	/nfs/dbraw/zinc/72/12/70/563721270.db2.gz	CPRZUVOVLIRIFQ-GQCTYLIASA-N	-1	3	309.184	4.112	50	30		DIEAHM
C=CCOc1ccc2c(c1)C(=N[O-])c1cc(OCC=C)ccc1-2	ZINC000001952355	563797587	/nfs/dbraw/zinc/79/75/87/563797587.db2.gz	ZHWDTAIBCPAVJB-UHFFFAOYSA-N	-1	3	307.349	4.023	50	30	aggregator	DIEAHM
COc1ccc(OC)c(/N=C/c2c([O-])cc(C)c(Cl)c2C)c1	ZINC000001435142	563824871	/nfs/dbraw/zinc/82/48/71/563824871.db2.gz	LVJIQGLTOADGGP-DJKKODMXSA-N	-1	3	319.788	4.430	50	30		DIEAHM
COc1ccc([N+](=O)[O-])cc1/N=C/c1c([O-])ccc2ccccc21	ZINC000002143372	563846776	/nfs/dbraw/zinc/84/67/76/563846776.db2.gz	HVGMKVXPEQPORW-YBFXNURJSA-N	-1	3	322.320	4.213	50	30		DIEAHM
N#Cc1ccsc1[N-]C(=O)c1sccc1SC(F)F	ZINC000075607014	563885103	/nfs/dbraw/zinc/88/51/03/563885103.db2.gz	FOGRLEJUUPDACB-UHFFFAOYSA-N	-1	3	316.379	4.248	50	30		DIEAHM
O=C(Nc1ccccc1)c1ccccc1N=Cc1cccc([O-])c1	ZINC000252460782	563915182	/nfs/dbraw/zinc/91/51/82/563915182.db2.gz	IEQCWGYFLRZMSZ-UHFFFAOYSA-N	-1	3	316.360	4.395	50	30		DIEAHM
C=CCc1cccc(C=NNc2ccc3ccccc3n2)c1[O-]	ZINC000252629477	563919516	/nfs/dbraw/zinc/91/95/16/563919516.db2.gz	UGULIDAOBZKPGF-UHFFFAOYSA-N	-1	3	303.365	4.115	50	30		DIEAHM
COc1cccc(/C=N/c2oc(-c3ccccc3)cc2C#N)c1[O-]	ZINC000095921815	563932002	/nfs/dbraw/zinc/93/20/02/563932002.db2.gz	JWHXCIKBJKHAJF-CIAFOILYSA-N	-1	3	318.332	4.283	50	30		DIEAHM
N#Cc1ccsc1[N-]C(=O)c1cc(Cl)sc1Cl	ZINC000002692882	563940407	/nfs/dbraw/zinc/94/04/07/563940407.db2.gz	ABWYJPOCKZOGLD-UHFFFAOYSA-N	-1	3	303.195	4.240	50	30		DIEAHM
CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(Cl)c1[O-]	ZINC000007741461	1044677541	/nfs/dbraw/zinc/67/75/41/1044677541.db2.gz	INEOWNOLBJBJDJ-FPYGCLRLSA-N	-1	3	320.747	4.480	50	30		DIEAHM
[O-]c1c(O)ccc(C=Nc2ccccc2Cc2ccccc2)c1O	ZINC000254847995	1047257695	/nfs/dbraw/zinc/25/76/95/1047257695.db2.gz	DGBXRFMQMNRRLX-UHFFFAOYSA-N	-1	3	319.360	4.145	50	30		DIEAHM
COc1ccc(/C=C2/C(=O)c3c(c(C)ccc3[O-])[C@H]2C)cc1OC	ZINC000096939844	185393286	/nfs/dbraw/zinc/39/32/86/185393286.db2.gz	PWWRMMAYULNHBG-IGVUGNCQSA-N	-1	3	324.376	4.101	50	30		DIEAHM
O=C(/C=C/c1cc(Br)ccc1[O-])c1ccccc1	ZINC000004280606	181092051	/nfs/dbraw/zinc/09/20/51/181092051.db2.gz	FNYFFVOPARYGTR-SOFGYWHQSA-N	-1	3	303.155	4.051	50	30		DIEAHM
C[C@@H](/N=C/c1cc(Br)ccc1[O-])c1ccccc1	ZINC000018123091	182093782	/nfs/dbraw/zinc/09/37/82/182093782.db2.gz	OISFOSGBMZIRQI-JDAJCMJVSA-N	-1	3	304.187	4.335	50	30		DIEAHM
CCOc1cc(/C=N/[O-])ccc1OCc1ccc(Cl)cc1	ZINC000018181728	182097213	/nfs/dbraw/zinc/09/72/13/182097213.db2.gz	DJFMVLRRSKMZJZ-VCHYOVAHSA-N	-1	3	305.761	4.126	50	30		DIEAHM
O=C1c2c(c(Cl)ccc2Cl)O/C1=C\c1ccc(O)cc1[O-]	ZINC000299738185	257255964	/nfs/dbraw/zinc/25/59/64/257255964.db2.gz	HKLOJMDXHKTDER-XGICHPGQSA-N	-1	3	323.131	4.021	50	30		DIEAHM
[O-]c1ccccc1/C=N/N(Cc1ccccc1)Cc1ccccc1	ZINC000001884300	331468207	/nfs/dbraw/zinc/46/82/07/331468207.db2.gz	GOHAPUSOUDXCJZ-PXLXIMEGSA-N	-1	3	316.404	4.429	50	30		DIEAHM
Clc1ccc(CSc2nnc([N-][NH+]=C3CCCC3)[n-]2)cc1	ZINC000020608302	526953458	/nfs/dbraw/zinc/95/34/58/526953458.db2.gz	MAEBFXZVKQEVRB-UHFFFAOYSA-N	-1	3	321.837	4.092	50	30		DIEAHM
Clc1ccc(CSc2nnc(NN=C3CCCC3)[n-]2)cc1	ZINC000020608302	526953462	/nfs/dbraw/zinc/95/34/62/526953462.db2.gz	MAEBFXZVKQEVRB-UHFFFAOYSA-N	-1	3	321.837	4.092	50	30		DIEAHM
CCCCCCCCCO[N-]C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000100844495	563645934	/nfs/dbraw/zinc/64/59/34/563645934.db2.gz	YDYNPCUVRFQWNE-UHFFFAOYSA-N	-1	3	323.393	4.399	50	30		DIEAHM
CN(C)/C=C/C(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1[O-]	ZINC000000080818	563214439	/nfs/dbraw/zinc/21/44/39/563214439.db2.gz	PKMHYOFMRMFOQW-MDZDMXLPSA-N	-1	3	303.446	4.245	50	30		DIEAHM
O=C(Nc1ccccc1)c1ccccc1/N=C/c1ccccc1[O-]	ZINC000013130786	563379021	/nfs/dbraw/zinc/37/90/21/563379021.db2.gz	KTWPDEOKBSIPDI-KGENOOAVSA-N	-1	3	316.360	4.395	50	30		DIEAHM
CCc1c(C)sc([N-]C(=O)c2c(F)cccc2F)c1C#N	ZINC000013327568	563380534	/nfs/dbraw/zinc/38/05/34/563380534.db2.gz	OWXNFEZSVLOGGW-UHFFFAOYSA-N	-1	3	306.337	4.021	50	30		DIEAHM
[O-]c1ccc2oc3c(c2c1/C=N\Cc1ccncc1)CCCC3	ZINC000100717604	563599457	/nfs/dbraw/zinc/59/94/57/563599457.db2.gz	DVBZTSCFPHABQS-MTJSOVHGSA-N	-1	3	306.365	4.031	50	30		DIEAHM
Cc1nn(-c2ccccc2)c(Cl)c1/C=N/c1ccc([O-])cc1	ZINC000000503871	563654075	/nfs/dbraw/zinc/65/40/75/563654075.db2.gz	VFNAKUSNAGWFKB-YBFXNURJSA-N	-1	3	311.772	4.290	50	30		DIEAHM
CCOc1cc2c(cc1/C=C/C(=O)c1cccc([O-])c1)O[C@H](C)C2	ZINC000008322471	563864757	/nfs/dbraw/zinc/86/47/57/563864757.db2.gz	JTIMGYNVMCKSTB-SBDDDAINSA-N	-1	3	324.376	4.010	50	30		DIEAHM
CCOc1cc(/C=C\C(=O)c2ccc(F)cc2)cc(Cl)c1[O-]	ZINC000096766556	185386694	/nfs/dbraw/zinc/38/66/94/185386694.db2.gz	INEOWNOLBJBJDJ-BAQGIRSFSA-N	-1	3	320.747	4.480	50	30		DIEAHM
Cc1cc([O-])c(C=NNc2ccc([N+](=O)[O-])cc2)c(C)c1Cl	ZINC000003898360	181054465	/nfs/dbraw/zinc/05/44/65/181054465.db2.gz	QDXVLLLCPXKXJP-CAOOACKPSA-N	-1	3	319.748	4.017	50	30		DIEAHM
COc1ccc(/N=C/c2c([O-])ccc3ccccc32)cc1OC	ZINC000005287578	181226632	/nfs/dbraw/zinc/22/66/32/181226632.db2.gz	YLGRKRVKPRZFTM-UDWIEESQSA-N	-1	3	307.349	4.313	50	30		DIEAHM
[O-]c1ccc2ccccc2c1CN=Nc1nc2c(s1)CCCC2	ZINC000016777213	182060235	/nfs/dbraw/zinc/06/02/35/182060235.db2.gz	BFWFRRXIOZJZDD-ODLFYWEKSA-N	-1	3	323.421	4.327	50	30		DIEAHM
COc1ccc(/N=C/c2cc(Br)ccc2[O-])cc1F	ZINC000044011484	183392475	/nfs/dbraw/zinc/39/24/75/183392475.db2.gz	MCIDZPFBPCTTND-CAOOACKPSA-N	-1	3	324.149	4.053	50	30		DIEAHM
Cc1cccc(C/N=C/c2cc(Br)ccc2[O-])c1	ZINC000057411998	184037719	/nfs/dbraw/zinc/03/77/19/184037719.db2.gz	PLUIXUXTZLANQI-LICLKQGHSA-N	-1	3	304.187	4.082	50	30		DIEAHM
CC(C)[C@@H]1C[C@@H](CNC(=O)c2csc(=O)[n-]2)c2ccccc21	ZINC000329973605	336101684	/nfs/dbraw/zinc/10/16/84/336101684.db2.gz	WVRXFWKZVOSKRP-FZMZJTMJSA-N	-1	3	316.426	4.080	50	30		DIEAHM
C=CCN(CC#Cc1ccccc1)Cc1ccc([O-])c(Cl)c1	ZINC000055269793	518744748	/nfs/dbraw/zinc/74/47/48/518744748.db2.gz	VBZDCKKBOYHMRD-UHFFFAOYSA-N	-1	3	311.812	4.085	50	30		DIEAHM
COc1cc(C(=O)/C=C\c2ccc(SC)cc2)ccc1[O-]	ZINC000033474376	522052841	/nfs/dbraw/zinc/05/28/41/522052841.db2.gz	HBVFEUITBMUPDO-UITAMQMPSA-N	-1	3	300.379	4.019	50	30		DIEAHM
O=C(Nc1ccccc1)c1ccccc1/N=C/c1cccc([O-])c1	ZINC000100003765	563544732	/nfs/dbraw/zinc/54/47/32/563544732.db2.gz	IEQCWGYFLRZMSZ-KGENOOAVSA-N	-1	3	316.360	4.395	50	30		DIEAHM
Cc1cc([O-])c(/C=N/c2ccc3c(c2)OCCO3)c(C)c1Cl	ZINC000000224075	563579881	/nfs/dbraw/zinc/57/98/81/563579881.db2.gz	XTKZXMMIPLFQDZ-DJKKODMXSA-N	-1	3	317.772	4.184	50	30		DIEAHM
CCn1cc(/C=C2/Oc3c(ccc([O-])c3C)C2=O)c2ccccc21	ZINC000008765525	563625700	/nfs/dbraw/zinc/62/57/00/563625700.db2.gz	BTBLYQKTCPHXIJ-VCHYOVAHSA-N	-1	3	319.360	4.291	50	30	biogenic	DIEAHM
N#CC(=C([O-])C=C(C1CC1)C1CC1)c1ccc(C(F)(F)F)cn1	ZINC000054430063	563653671	/nfs/dbraw/zinc/65/36/71/563653671.db2.gz	PWGYRGCKZXXJDU-AWEZNQCLSA-N	-1	3	320.314	4.023	50	30		DIEAHM
CCC[C@@H]1CCc2c(C#N)c([N-]C(=O)c3ccco3)sc2C1	ZINC000001054847	563788370	/nfs/dbraw/zinc/78/83/70/563788370.db2.gz	AZIZVWUTHBYIFV-LLVKDONJSA-N	-1	3	314.410	4.370	50	30		DIEAHM
CCOc1cc2c(cc1/C=C/C(=O)c1cccc([O-])c1)O[C@@H](C)C2	ZINC000008322472	563864695	/nfs/dbraw/zinc/86/46/95/563864695.db2.gz	JTIMGYNVMCKSTB-GWJCSSMESA-N	-1	3	324.376	4.010	50	30		DIEAHM
CCCCCC1=C(Br)C(=O)c2cccc([O-])c2C1=O	ZINC000002105920	563914031	/nfs/dbraw/zinc/91/40/31/563914031.db2.gz	KCECBVPMPDARID-UHFFFAOYSA-N	-1	3	323.186	4.001	50	30	biogenic	DIEAHM
C=CCN=C([S-])NN=Cc1c(Cl)ccc(Cl)c1Cl	ZINC000252477543	563915761	/nfs/dbraw/zinc/91/57/61/563915761.db2.gz	QKHYANPVFUPYAU-UHFFFAOYSA-N	-1	3	322.648	4.042	50	30		DIEAHM
C=CCn1c(-c2ccccc2)csc1=Nc1cccc([O-])c1	ZINC000252668191	568421107	/nfs/dbraw/zinc/42/11/07/568421107.db2.gz	DWEOVTGGSQLAMG-UHFFFAOYSA-N	-1	3	308.406	4.341	50	30		DIEAHM
COc1ccc(/C=C2/C(=O)c3c(c(C)ccc3[O-])[C@@H]2C)cc1OC	ZINC000096939843	185393281	/nfs/dbraw/zinc/39/32/81/185393281.db2.gz	PWWRMMAYULNHBG-ZMTLZGASSA-N	-1	3	324.376	4.101	50	30		DIEAHM
[O-]c1ccc2ccccc2c1/C=N/C1=NN(c2ccccc2)CC1	ZINC000004857229	181163970	/nfs/dbraw/zinc/16/39/70/181163970.db2.gz	TVHWZXQOPRONJO-KGENOOAVSA-N	-1	3	315.376	4.188	50	30		DIEAHM
COc1cc(/C=N/c2oc(-c3ccccc3)cc2C#N)ccc1[O-]	ZINC000013119024	181830411	/nfs/dbraw/zinc/83/04/11/181830411.db2.gz	SPMGIQQWRRFVNY-CIAFOILYSA-N	-1	3	318.332	4.283	50	30		DIEAHM
[O-]c1ccc(Br)cc1/C=N/CCCc1ccccc1	ZINC000057411982	184037429	/nfs/dbraw/zinc/03/74/29/184037429.db2.gz	ANXMIBBSPZOXMO-LDADJPATSA-N	-1	3	318.214	4.206	50	30		DIEAHM
[O-]c1ccc2ccccc2c1/C=N/c1cccc2nsnc21	ZINC000000272105	563235567	/nfs/dbraw/zinc/23/55/67/563235567.db2.gz	OZEIWQDOZYBVKI-VCHYOVAHSA-N	-1	3	305.362	4.301	50	30		DIEAHM
C[C@H](/N=C/c1cc(Br)ccc1[O-])c1ccc(F)cc1	ZINC000044835657	563462563	/nfs/dbraw/zinc/46/25/63/563462563.db2.gz	MWSHGXVBUFSLOI-NTOSSWPYSA-N	-1	3	322.177	4.474	50	30		DIEAHM
CC[C@H](C)N(CC#Cc1ccccc1)Cc1ccccc1C(=O)[O-]	ZINC000055183050	563815652	/nfs/dbraw/zinc/81/56/52/563815652.db2.gz	IAOVUWHRMTZGRN-KRWDZBQOSA-N	-1	3	321.420	4.037	50	30		DIEAHM
CC[C@H](C)N(CC#Cc1ccccc1)Cc1ccc(C(=O)[O-])cc1	ZINC000055089850	563816103	/nfs/dbraw/zinc/81/61/03/563816103.db2.gz	VEYLWRMQRAYDBB-KRWDZBQOSA-N	-1	3	321.420	4.037	50	30		DIEAHM
C=CCc1cccc(C=Nc2nc3ccccc3n2CC)c1[O-]	ZINC000252598479	563917443	/nfs/dbraw/zinc/91/74/43/563917443.db2.gz	DBNNLWSXIUPUEA-UHFFFAOYSA-N	-1	3	305.381	4.241	50	30		DIEAHM
COc1cc(/C=C/C(=O)c2cccc(F)c2)cc(Cl)c1[O-]	ZINC000013002609	1045131147	/nfs/dbraw/zinc/13/11/47/1045131147.db2.gz	VMZYTSGGULJISX-AATRIKPKSA-N	-1	3	306.720	4.089	50	30		DIEAHM
COc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(Cl)c1[O-]	ZINC000006339663	181331510	/nfs/dbraw/zinc/33/15/10/181331510.db2.gz	GLTUOYTVXMGJNW-FARCUNLSSA-N	-1	3	306.720	4.089	50	30		DIEAHM
CCOc1cc(/C=N/[O-])cc(Cl)c1OCc1ccccc1F	ZINC000016688739	182057461	/nfs/dbraw/zinc/05/74/61/182057461.db2.gz	FLIDMDWWUFKIAD-DJKKODMXSA-N	-1	3	323.751	4.265	50	30		DIEAHM
[O-]c1ccc(Br)cc1/C=N/Cc1cccc(Cl)c1	ZINC000057411916	184037607	/nfs/dbraw/zinc/03/76/07/184037607.db2.gz	BUEKRXQPFBDZFN-RQZCQDPDSA-N	-1	3	324.605	4.427	50	30		DIEAHM
CCc1ccc(C/N=C/c2cc(Br)ccc2[O-])cc1	ZINC000057411887	184037627	/nfs/dbraw/zinc/03/76/27/184037627.db2.gz	TZCONBFGEUQYLQ-WOJGMQOQSA-N	-1	3	318.214	4.336	50	30		DIEAHM
[O-]/N=C\c1c(Sc2ccc(Cl)cc2)nc2sccn12	ZINC000100923045	563647000	/nfs/dbraw/zinc/64/70/00/563647000.db2.gz	VLVHXNXVJGHAGI-AUWJEWJLSA-N	-1	3	309.803	4.009	50	30		DIEAHM
CCn1c2ccc(/C(C)=N\[O-])cc2c2cc(/C(C)=N\O)ccc21	ZINC000013110425	563378294	/nfs/dbraw/zinc/37/82/94/563378294.db2.gz	SMADFIJMWGFTLC-YZLQMOBTSA-N	-1	3	309.369	4.211	50	30		DIEAHM
CCOc1cc(/C=C\C(=O)c2scnc2C)cc(Cl)c1[O-]	ZINC000048558024	563699273	/nfs/dbraw/zinc/69/92/73/563699273.db2.gz	HDLJBETZSRWSBF-PLNGDYQASA-N	-1	3	323.801	4.105	50	30		DIEAHM
CC[C@@H](C)N(CC#Cc1ccccc1)Cc1ccc(C(=O)[O-])cc1	ZINC000055089847	563815960	/nfs/dbraw/zinc/81/59/60/563815960.db2.gz	VEYLWRMQRAYDBB-QGZVFWFLSA-N	-1	3	321.420	4.037	50	30		DIEAHM
CCOc1cccc(/C=N/c2sc(C)c(C)c2C#N)c1[O-]	ZINC000004150674	563945328	/nfs/dbraw/zinc/94/53/28/563945328.db2.gz	FGIBPJWGBZGGDR-GIJQJNRQSA-N	-1	3	300.383	4.092	50	30		DIEAHM
FC(F)(F)c1cccc(C=N[N-]c2nc3ccccc3o2)c1	ZINC000005555085	1044127393	/nfs/dbraw/zinc/12/73/93/1044127393.db2.gz	HSTJLXPEVRUMNA-UHFFFAOYSA-N	-1	3	305.259	4.293	50	30		DIEAHM
Cc1sc([N-]C(=O)c2cc(-c3ccccc3)on2)c(C#N)c1C	ZINC000036685984	1048836281	/nfs/dbraw/zinc/83/62/81/1048836281.db2.gz	ZMVKIQOZWYZZIO-UHFFFAOYSA-N	-1	3	323.377	4.144	50	30		DIEAHM
COc1cc(C(=O)/C=C\c2ccccc2C(F)(F)F)ccc1[O-]	ZINC000096792749	185388500	/nfs/dbraw/zinc/38/85/00/185388500.db2.gz	JCUUPHQAQRSOQF-VURMDHGXSA-N	-1	3	322.282	4.316	50	30		DIEAHM
COc1ccc(OC)c(/N=C/c2ccc3ccccc3c2[O-])c1	ZINC000004672736	181134634	/nfs/dbraw/zinc/13/46/34/181134634.db2.gz	RHRNGZGEKILBGA-UDWIEESQSA-N	-1	3	307.349	4.313	50	30		DIEAHM
Cc1cc(F)ccc1/N=C/c1cc(Br)ccc1[O-]	ZINC000005289749	181226624	/nfs/dbraw/zinc/22/66/24/181226624.db2.gz	ZEPRUXMUCNMSBZ-CAOOACKPSA-N	-1	3	308.150	4.353	50	30		DIEAHM
COc1cc(/C=N/[O-])ccc1OCc1cccc2ccccc21	ZINC000016214807	182036884	/nfs/dbraw/zinc/03/68/84/182036884.db2.gz	NSBRQAHMELQAGT-UDWIEESQSA-N	-1	3	307.349	4.236	50	30		DIEAHM
[O-]c1ccccc1/C=N/[C@H](c1ccccc1)[C@@H](O)c1ccccc1	ZINC000017824461	182086031	/nfs/dbraw/zinc/08/60/31/182086031.db2.gz	BCYPKVNJMLMPFO-IXHNDJBVSA-N	-1	3	317.388	4.286	50	30		DIEAHM
CCOc1cc(/C=C/C(=O)c2scnc2C)cc(Cl)c1[O-]	ZINC000040139859	183039276	/nfs/dbraw/zinc/03/92/76/183039276.db2.gz	HDLJBETZSRWSBF-SNAWJCMRSA-N	-1	3	323.801	4.105	50	30		DIEAHM
CC(C)(C)c1cnc(CCC(=O)Nc2ccc([O-])cc2F)o1	ZINC000330032421	257261011	/nfs/dbraw/zinc/26/10/11/257261011.db2.gz	MUQAVNNVNKZZRW-UHFFFAOYSA-N	-1	3	306.337	4.038	50	30		DIEAHM
COc1ccc(Cl)cc1Nc1nc(/C(C)=N/[O-])c(C)s1	ZINC000033715821	524246658	/nfs/dbraw/zinc/24/66/58/524246658.db2.gz	GUXFQQIRVYKRJM-REZTVBANSA-N	-1	3	311.794	4.055	50	30		DIEAHM
[O-]c1ccc(Br)cc1/C=N/Cc1ccccc1Cl	ZINC000044835654	563462272	/nfs/dbraw/zinc/46/22/72/563462272.db2.gz	UKTHFQPGDKDTML-RQZCQDPDSA-N	-1	3	324.605	4.427	50	30		DIEAHM
[O-]c1ccc(Cl)cc1/C=N/Cc1cccc(Br)c1	ZINC000044835598	563462533	/nfs/dbraw/zinc/46/25/33/563462533.db2.gz	RTRPSTLVBBTSGZ-RQZCQDPDSA-N	-1	3	324.605	4.427	50	30		DIEAHM
Cc1cc(/N=C/c2cc(Br)ccc2[O-])ccc1F	ZINC000044835880	563462569	/nfs/dbraw/zinc/46/25/69/563462569.db2.gz	LFHDESVHRJJVIC-CAOOACKPSA-N	-1	3	308.150	4.353	50	30		DIEAHM
CCOC(=O)c1ccc(/N=C/c2c([O-])ccc3ccccc32)cc1	ZINC000100032422	563545096	/nfs/dbraw/zinc/54/50/96/563545096.db2.gz	CWWAKPGLKRKXRP-FYJGNVAPSA-N	-1	3	319.360	4.473	50	30		DIEAHM
CC[C@@H](C)N(CC#Cc1ccccc1)Cc1ccccc1C(=O)[O-]	ZINC000055183049	563815793	/nfs/dbraw/zinc/81/57/93/563815793.db2.gz	IAOVUWHRMTZGRN-QGZVFWFLSA-N	-1	3	321.420	4.037	50	30		DIEAHM
[O-]c1ccccc1/C=N\[C@H](c1ccccc1)[C@@H](O)c1ccccc1	ZINC000169416399	563891540	/nfs/dbraw/zinc/89/15/40/563891540.db2.gz	BCYPKVNJMLMPFO-LPJDDIMUSA-N	-1	3	317.388	4.286	50	30		DIEAHM
Cc1cc(C(=O)[N-]c2sc(C)c(-c3ccccc3)c2C#N)no1	ZINC000002730169	563940428	/nfs/dbraw/zinc/94/04/28/563940428.db2.gz	NICKGHHOZHUYFR-UHFFFAOYSA-N	-1	3	323.377	4.144	50	30		DIEAHM
Cc1cccc2c1NC(=O)C2=N[N-]c1ncc(Cl)cc1Cl	ZINC000013062612	1038609245	/nfs/dbraw/zinc/60/92/45/1038609245.db2.gz	UQICQURMGMRHOE-UHFFFAOYSA-N	-1	3	321.167	4.115	50	30		DIEAHM
N#CC(=C([O-])c1cc2ccccc2[nH]1)c1nc2ccccc2s1	ZINC000047365509	1041825387	/nfs/dbraw/zinc/82/53/87/1041825387.db2.gz	JUKXWVGWZBVVFT-GFCCVEGCSA-N	-1	3	317.373	4.268	50	30		DIEAHM
COc1cc(/C=C2\CCc3ccccc3C2=O)cc(Cl)c1[O-]	ZINC000003581712	181037189	/nfs/dbraw/zinc/03/71/89/181037189.db2.gz	YCKJPLBEXHMHSX-MDWZMJQESA-N	-1	3	314.768	4.267	50	30		DIEAHM
N#CC=C([O-])c1cccc(Oc2ccc(Br)cc2)c1	ZINC000004105352	181074017	/nfs/dbraw/zinc/07/40/17/181074017.db2.gz	QZAJCMMQRJEOTA-UHFFFAOYSA-N	-1	3	316.154	4.338	50	30		DIEAHM
[O-]/N=C(\Nc1ccc(C(F)(F)F)cc1)c1c(F)cccc1F	ZINC000004335887	181099437	/nfs/dbraw/zinc/09/94/37/181099437.db2.gz	ZVHLXCUEKSJLAQ-UHFFFAOYSA-N	-1	3	316.229	4.232	50	30		DIEAHM
CSc1sc(Br)c2c1/C(=N\[O-])CC(C)(C)C2	ZINC000004350550	181101110	/nfs/dbraw/zinc/10/11/10/181101110.db2.gz	RKXANRHVGFVFMQ-QPEQYQDCSA-N	-1	3	320.277	4.383	50	30		DIEAHM
Cc1sc([N-]C(=O)c2nc3ccccc3s2)c(C#N)c1C	ZINC000004570292	181125868	/nfs/dbraw/zinc/12/58/68/181125868.db2.gz	GIISRFWPHPLTAC-UHFFFAOYSA-N	-1	3	313.407	4.099	50	30		DIEAHM
O=C(/C=C\c1cc(Br)cs1)c1cccc([O-])c1	ZINC000006828868	181396494	/nfs/dbraw/zinc/39/64/94/181396494.db2.gz	NXPCHYUPRDCOMP-PLNGDYQASA-N	-1	3	309.184	4.112	50	30		DIEAHM
N#Cc1ccsc1[N-]C(=O)c1ccc(-c2ccccc2F)o1	ZINC000006879182	181399866	/nfs/dbraw/zinc/39/98/66/181399866.db2.gz	WGMNMUFXHFGSML-UHFFFAOYSA-N	-1	3	312.325	4.271	50	30		DIEAHM
CCOc1cc(/C=N/[O-])cc(Cl)c1OCc1cccc(F)c1	ZINC000016688594	182057622	/nfs/dbraw/zinc/05/76/22/182057622.db2.gz	QWQSTQAGQZAFOM-DJKKODMXSA-N	-1	3	323.751	4.265	50	30		DIEAHM
[O-]c1ccccc1/C=N/c1ncc(C(F)(F)F)cc1Cl	ZINC000100355052	257272798	/nfs/dbraw/zinc/27/27/98/257272798.db2.gz	BMYHQEKGIRCDMV-NGYBGAFCSA-N	-1	3	300.667	4.210	50	30		DIEAHM
O=C1c2cc(Cl)cc(Cl)c2O/C1=C\c1ccc([O-])cc1	ZINC000299738323	257256303	/nfs/dbraw/zinc/25/63/03/257256303.db2.gz	VIZMIDHUPWSQOL-ACAGNQJTSA-N	-1	3	307.132	4.315	50	30		DIEAHM
CCCOc1ccc(/C=C\C(=O)c2ccc([O-])c(OC)c2)cc1	ZINC000096400374	332181840	/nfs/dbraw/zinc/18/18/40/332181840.db2.gz	VRSWYEZEHGGKHB-POHAHGRESA-N	-1	3	312.365	4.086	50	30		DIEAHM
CCc1ccc(/N=C/c2cc(Br)ccc2[O-])cc1	ZINC000000100459	563216872	/nfs/dbraw/zinc/21/68/72/563216872.db2.gz	NPPDWJUIMPFASQ-LICLKQGHSA-N	-1	3	304.187	4.468	50	30		DIEAHM
COc1ccc(/N=C/c2c([O-])ccc3ccccc32)c(OC)c1	ZINC000000239100	563232021	/nfs/dbraw/zinc/23/20/21/563232021.db2.gz	FFDOZLBRDKTIOI-UDWIEESQSA-N	-1	3	307.349	4.313	50	30		DIEAHM
C=CCc1cccc(/C=N/c2nc3ccccc3n2CC)c1[O-]	ZINC000013119814	563378290	/nfs/dbraw/zinc/37/82/90/563378290.db2.gz	DBNNLWSXIUPUEA-DEDYPNTBSA-N	-1	3	305.381	4.241	50	30		DIEAHM
[O-]c1ccc(/C=N/c2c(-c3ccco3)nc3ccccn32)cc1	ZINC000000274183	563447594	/nfs/dbraw/zinc/44/75/94/563447594.db2.gz	RTUWGZIRXWWINU-XDHOZWIPSA-N	-1	3	303.321	4.051	50	30		DIEAHM
COc1ccc(/N=C/c2c([O-])cc(C)c(Cl)c2C)cc1OC	ZINC000000224120	563579641	/nfs/dbraw/zinc/57/96/41/563579641.db2.gz	HGRZZUWFYWBCDV-DJKKODMXSA-N	-1	3	319.788	4.430	50	30		DIEAHM
C=CCn1c2ccccc2nc1NCc1cc(Cl)ccc1[O-]	ZINC000000554246	563669736	/nfs/dbraw/zinc/66/97/36/563669736.db2.gz	KUXSWSATKWQRNU-UHFFFAOYSA-N	-1	3	313.788	4.193	50	30		DIEAHM
CC(=NNc1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2c1[O-]	ZINC000012362617	563723123	/nfs/dbraw/zinc/72/31/23/563723123.db2.gz	UVKFHKZOIBYFHR-XDHOZWIPSA-N	-1	3	321.336	4.290	50	30		DIEAHM
O=C(Nc1ccccc1)c1ccccc1N=Cc1ccccc1[O-]	ZINC000252461126	563915150	/nfs/dbraw/zinc/91/51/50/563915150.db2.gz	KTWPDEOKBSIPDI-UHFFFAOYSA-N	-1	3	316.360	4.395	50	30		DIEAHM
CCOc1ccc(N=Cc2ccc(N(CC)CC)cc2[O-])cc1	ZINC000252461293	563915160	/nfs/dbraw/zinc/91/51/60/563915160.db2.gz	LWPHQRJGMVASMM-UHFFFAOYSA-N	-1	3	312.413	4.388	50	30		DIEAHM
CCN(CC)c1ccc(C=Nc2ccc(C)c(F)c2)c([O-])c1	ZINC000252461909	563915327	/nfs/dbraw/zinc/91/53/27/563915327.db2.gz	OCPVKLLLSYVJJJ-UHFFFAOYSA-N	-1	3	300.377	4.437	50	30		DIEAHM
COc1cc(C(=O)/C=C\c2ccc(C(F)(F)F)cc2)ccc1[O-]	ZINC000033474372	1047557363	/nfs/dbraw/zinc/55/73/63/1047557363.db2.gz	CCXWVJMCZMIFKJ-YWEYNIOJSA-N	-1	3	322.282	4.316	50	30		DIEAHM
CSC(=Nc1ccccc1)NN=Cc1cc(Cl)ccc1[O-]	ZINC000004635862	181130564	/nfs/dbraw/zinc/13/05/64/181130564.db2.gz	UPGRDIKGYVKGON-LICLKQGHSA-N	-1	3	319.817	4.211	50	30		DIEAHM
Cc1ccc(F)c(/N=C/c2cc(Br)ccc2[O-])c1	ZINC000005288300	181226261	/nfs/dbraw/zinc/22/62/61/181226261.db2.gz	KWUOPWOHBOTHHX-CAOOACKPSA-N	-1	3	308.150	4.353	50	30		DIEAHM
COc1ccc(/C(=N\[O-])[C@H]2C[C@H]2c2ccc(Cl)cc2)cc1	ZINC000005526809	181253805	/nfs/dbraw/zinc/25/38/05/181253805.db2.gz	NLXXWGSPQSMEKT-IMODLIGDSA-N	-1	3	301.773	4.331	50	30		DIEAHM
COc1cc(C(=O)/C=C/c2ccc(SC)cc2)ccc1[O-]	ZINC000006433157	181340562	/nfs/dbraw/zinc/34/05/62/181340562.db2.gz	HBVFEUITBMUPDO-WEVVVXLNSA-N	-1	3	300.379	4.019	50	30		DIEAHM
O=C(c1ccccc1)c1ccc(/N=C/c2ccccc2[O-])cc1	ZINC000000046395	563211815	/nfs/dbraw/zinc/21/18/15/563211815.db2.gz	NJIDMUYXBWZOOT-KGENOOAVSA-N	-1	3	301.345	4.374	50	30		DIEAHM
C=CCc1cccc(/C=N/N=C/c2cccc(CC=C)c2O)c1[O-]	ZINC000002979178	563318788	/nfs/dbraw/zinc/31/87/88/563318788.db2.gz	UVVAIDOOGMRXEK-JFMUQQRKSA-N	-1	3	320.392	4.008	50	30	biogenic	DIEAHM
C[C@H]1CC(C)(C)N2C(=O)/C(=N/c3ccc([O-])cc3)c3cccc1c32	ZINC000012406290	563369152	/nfs/dbraw/zinc/36/91/52/563369152.db2.gz	HMIGLVWECWRVJU-VHJQFCBJSA-N	-1	3	320.392	4.145	50	30		DIEAHM
Cc1cc(C)c(O)c(/N=C/c2cc(Br)ccc2[O-])c1	ZINC000000271978	563584000	/nfs/dbraw/zinc/58/40/00/563584000.db2.gz	VBBDNUHLWUKFFR-CAOOACKPSA-N	-1	3	320.186	4.228	50	30		DIEAHM
O=C(c1ccccc1)c1ccc(N=Cc2ccccc2[O-])cc1	ZINC000252461667	563915294	/nfs/dbraw/zinc/91/52/94/563915294.db2.gz	NJIDMUYXBWZOOT-UHFFFAOYSA-N	-1	3	301.345	4.374	50	30		DIEAHM
N#Cc1c([N-]C(=O)c2cc(F)ccc2F)sc2c1CCCC2	ZINC000002752082	563940624	/nfs/dbraw/zinc/94/06/24/563940624.db2.gz	RVZLTWHWDYVRTF-UHFFFAOYSA-N	-1	3	318.348	4.029	50	30		DIEAHM
O=C(/C=C/c1ccccc1[O-])c1ccc(Br)cc1	ZINC000008379971	563948278	/nfs/dbraw/zinc/94/82/78/563948278.db2.gz	HEJGDFOMSHMVLZ-JXMROGBWSA-N	-1	3	303.155	4.051	50	30		DIEAHM
COc1cc(/C=C\C(=O)c2cc3ccccc3o2)cc(OC)c1[O-]	ZINC000096766994	185387005	/nfs/dbraw/zinc/38/70/05/185387005.db2.gz	LIASATFUOFQVGS-FPLPWBNLSA-N	-1	3	324.332	4.052	50	30		DIEAHM
COc1cc(C(=O)/C=C\c2cccc3ccccc23)ccc1[O-]	ZINC000096792744	185388476	/nfs/dbraw/zinc/38/84/76/185388476.db2.gz	OEMNWYOKDSQKFU-LUAWRHEFSA-N	-1	3	304.345	4.450	50	30		DIEAHM
O=C(/C=C\c1ccc(Br)s1)c1cccc([O-])c1	ZINC000096792722	185388531	/nfs/dbraw/zinc/38/85/31/185388531.db2.gz	CPRZUVOVLIRIFQ-XQRVVYSFSA-N	-1	3	309.184	4.112	50	30		DIEAHM
O=C1c2cc(Cl)ccc2SC/C1=C/c1ccc([O-])cc1	ZINC000096930484	185392587	/nfs/dbraw/zinc/39/25/87/185392587.db2.gz	AHUGIMRREOKQIL-XFFZJAGNSA-N	-1	3	302.782	4.418	50	30		DIEAHM
Cc1cccc(C(=O)/C=C/c2cc(Br)ccc2[O-])c1	ZINC000004280602	181092164	/nfs/dbraw/zinc/09/21/64/181092164.db2.gz	BEAVHQAFIPRDPS-FNORWQNLSA-N	-1	3	317.182	4.359	50	30		DIEAHM
C=CCn1c(-c2ccccc2)cs/c1=N\c1cccc([O-])c1	ZINC000004567484	181125461	/nfs/dbraw/zinc/12/54/61/181125461.db2.gz	DWEOVTGGSQLAMG-HNENSFHCSA-N	-1	3	308.406	4.341	50	30		DIEAHM
COc1cc(C(=O)/C=C/c2ccc(C(F)(F)F)cc2)ccc1[O-]	ZINC000006433141	181340632	/nfs/dbraw/zinc/34/06/32/181340632.db2.gz	CCXWVJMCZMIFKJ-XBXARRHUSA-N	-1	3	322.282	4.316	50	30		DIEAHM
[O-]c1ccc(Br)cc1/C=N/Cc1ccc(Cl)cc1	ZINC000057411920	184037519	/nfs/dbraw/zinc/03/75/19/184037519.db2.gz	GXSHHUSDBYJTQW-RQZCQDPDSA-N	-1	3	324.605	4.427	50	30		DIEAHM
[O-]c1cccc(/C=N/c2c(-c3ccco3)nc3ccccn32)c1	ZINC000013137078	563379574	/nfs/dbraw/zinc/37/95/74/563379574.db2.gz	XIGLYAHAKVWSOI-XDHOZWIPSA-N	-1	3	303.321	4.051	50	30		DIEAHM
CC(=O)c1ccc(N=Cc2cc(Br)ccc2[O-])cc1	ZINC000000247918	563581738	/nfs/dbraw/zinc/58/17/38/563581738.db2.gz	AVBACUOZMTULEC-RQZCQDPDSA-N	-1	3	318.170	4.108	50	30		DIEAHM
[O-]c1ccccc1/C=N\[C@H](c1ccccc1)[C@H](O)c1ccccc1	ZINC000102586613	563660406	/nfs/dbraw/zinc/66/04/06/563660406.db2.gz	BCYPKVNJMLMPFO-PWTJDBJKSA-N	-1	3	317.388	4.286	50	30		DIEAHM
CC(=O)N(C)c1ccc(N=Cc2c([O-])ccc3ccccc32)cc1	ZINC000252462034	563915352	/nfs/dbraw/zinc/91/53/52/563915352.db2.gz	PGOPGDACDQVNKB-UHFFFAOYSA-N	-1	3	318.376	4.279	50	30		DIEAHM
Cc1ccc2[nH]c(=NN=Cc3cc(Cl)ccc3[O-])sc2c1	ZINC000095482076	185373849	/nfs/dbraw/zinc/37/38/49/185373849.db2.gz	ZNRLLHSNWHGVMR-IUXPMGMMSA-N	-1	3	317.801	4.410	50	30		DIEAHM
Cc1ccc(/N=C/c2cc(Br)ccc2[O-])c(F)c1	ZINC000005288155	181226580	/nfs/dbraw/zinc/22/65/80/181226580.db2.gz	ZLKIYGXFPWYUEO-CAOOACKPSA-N	-1	3	308.150	4.353	50	30		DIEAHM
COc1cc(C(=O)/C=C/c2cccc3ccccc23)ccc1[O-]	ZINC000006433133	181340513	/nfs/dbraw/zinc/34/05/13/181340513.db2.gz	OEMNWYOKDSQKFU-PKNBQFBNSA-N	-1	3	304.345	4.450	50	30		DIEAHM
[O-]c1ccc(Br)cc1/C=N/c1cc(F)cc(F)c1	ZINC000017701093	182085386	/nfs/dbraw/zinc/08/53/86/182085386.db2.gz	PCYLMNPXOODCEA-REZTVBANSA-N	-1	3	312.113	4.184	50	30		DIEAHM
COc1ccc(N=Cc2c([O-])ccc3ccccc32)c(OC)c1	ZINC000254505463	341482512	/nfs/dbraw/zinc/48/25/12/341482512.db2.gz	FFDOZLBRDKTIOI-UHFFFAOYSA-N	-1	3	307.349	4.313	50	30		DIEAHM
CCOc1cc(/C=N/[O-])ccc1OCc1cccc(Cl)c1	ZINC000016689173	520644052	/nfs/dbraw/zinc/64/40/52/520644052.db2.gz	PZHWCDPESYDQGA-VCHYOVAHSA-N	-1	3	305.761	4.126	50	30		DIEAHM
Cc1ccc(/N=C/c2cc(Br)ccc2[O-])cc1F	ZINC000000045998	563211750	/nfs/dbraw/zinc/21/17/50/563211750.db2.gz	YAZBULFESSBGEH-CAOOACKPSA-N	-1	3	308.150	4.353	50	30		DIEAHM
Cc1cc([O-])c(/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1C	ZINC000000059968	563212128	/nfs/dbraw/zinc/21/21/28/563212128.db2.gz	JFQBYTPVUDZWCM-CAOOACKPSA-N	-1	3	304.733	4.321	50	30		DIEAHM
[O-]c1ccc(Br)cc1/C=N/c1ccc(F)c(F)c1	ZINC000000097794	563216237	/nfs/dbraw/zinc/21/62/37/563216237.db2.gz	YIRLBLIXUGKOFH-REZTVBANSA-N	-1	3	312.113	4.184	50	30		DIEAHM
CCOc1ccccc1/N=C/c1cc(Br)ccc1[O-]	ZINC000000100500	563217091	/nfs/dbraw/zinc/21/70/91/563217091.db2.gz	UYWQBRBGANFCMK-LICLKQGHSA-N	-1	3	320.186	4.304	50	30		DIEAHM
Cc1ccc(/N=C/c2c3c(ccc2[O-])oc2c3CCCC2)nc1	ZINC000013756631	563388785	/nfs/dbraw/zinc/38/87/85/563388785.db2.gz	XVTUKUSNAXULDT-SRZZPIQSSA-N	-1	3	306.365	4.471	50	30		DIEAHM
COc1cc([N+](=O)[O-])ccc1/N=C/c1c([O-])ccc2ccccc21	ZINC000100248298	563548673	/nfs/dbraw/zinc/54/86/73/563548673.db2.gz	YJPXXEVMOCJNRH-YBFXNURJSA-N	-1	3	322.320	4.213	50	30		DIEAHM
[O-]c1ccccc1/C=N/CCSCc1ccccc1Cl	ZINC000100379340	563550173	/nfs/dbraw/zinc/55/01/73/563550173.db2.gz	FMGXSNIOSWYZLJ-WOJGMQOQSA-N	-1	3	305.830	4.398	50	30		DIEAHM
COc1ccc(/N=C/c2ccc(OC)c3cccc([O-])c23)cc1	ZINC000100877633	563645881	/nfs/dbraw/zinc/64/58/81/563645881.db2.gz	QBRRXKTXADXYLH-UDWIEESQSA-N	-1	3	307.349	4.313	50	30		DIEAHM
CCC[C@H]1CCc2c(C#N)c([N-]C(=O)c3ccco3)sc2C1	ZINC000001054845	563788201	/nfs/dbraw/zinc/78/82/01/563788201.db2.gz	AZIZVWUTHBYIFV-NSHDSACASA-N	-1	3	314.410	4.370	50	30		DIEAHM
CC1=CC(C)(C)N2C(=O)C(=Nc3ccc([O-])cc3)c3cccc1c32	ZINC000252462606	563915366	/nfs/dbraw/zinc/91/53/66/563915366.db2.gz	UTGYZGNKOLFHAP-UHFFFAOYSA-N	-1	3	318.376	4.055	50	30		DIEAHM
[O-]c1ccc2ccccc2c1C=Nc1cccc2nsnc21	ZINC000252623789	563919097	/nfs/dbraw/zinc/91/90/97/563919097.db2.gz	OZEIWQDOZYBVKI-UHFFFAOYSA-N	-1	3	305.362	4.301	50	30		DIEAHM
COc1cc(C(=O)/C=C/c2ccccc2C(F)(F)F)ccc1[O-]	ZINC000013137626	1040565470	/nfs/dbraw/zinc/56/54/70/1040565470.db2.gz	JCUUPHQAQRSOQF-SOFGYWHQSA-N	-1	3	322.282	4.316	50	30		DIEAHM
N#CC(=C([O-])c1cc2ccccc2[nH]1)c1nc2ccccc2s1	ZINC000047365510	1041825653	/nfs/dbraw/zinc/82/56/53/1041825653.db2.gz	JUKXWVGWZBVVFT-LBPRGKRZSA-N	-1	3	317.373	4.268	50	30		DIEAHM
CCN(CC)c1ccc(/C=C2/Cc3c(cccc3[O-])C2=O)cc1	ZINC000096931910	185392405	/nfs/dbraw/zinc/39/24/05/185392405.db2.gz	MYVGHEGEQXNXAH-QINSGFPZSA-N	-1	3	307.393	4.061	50	30		DIEAHM
CCOc1cc(C=NNc2ccc(C)cc2)cc(Cl)c1[O-]	ZINC000004647020	181131611	/nfs/dbraw/zinc/13/16/11/181131611.db2.gz	JGONNWDKDNSZNE-VCHYOVAHSA-N	-1	3	304.777	4.199	50	30		DIEAHM
[O-]c1ccc(Cl)cc1C=NN=c1[nH]c2ccccc2s1	ZINC000004991235	181185930	/nfs/dbraw/zinc/18/59/30/181185930.db2.gz	KFZHXJWTUXWXRM-LZYBPNLTSA-N	-1	3	303.774	4.101	50	30		DIEAHM
COc1ccc(/C(=N\[O-])[C@@H]2C[C@H]2c2ccc(Cl)cc2)cc1	ZINC000005526807	181253663	/nfs/dbraw/zinc/25/36/63/181253663.db2.gz	NLXXWGSPQSMEKT-LBGXLTHVSA-N	-1	3	301.773	4.331	50	30		DIEAHM
COc1cc(Cl)cc(C=NNc2ccc(Cl)cc2)c1[O-]	ZINC000005675349	181270687	/nfs/dbraw/zinc/27/06/87/181270687.db2.gz	UDJCXDDETFOOBF-CAOOACKPSA-N	-1	3	311.168	4.154	50	30		DIEAHM
[O-]c1ccc2oc3c(c2c1/C=N/Cc1ccncc1)CCCC3	ZINC000018128353	182093844	/nfs/dbraw/zinc/09/38/44/182093844.db2.gz	DVBZTSCFPHABQS-CIAFOILYSA-N	-1	3	306.365	4.031	50	30		DIEAHM
N#Cc1ccsc1[N-]C(=O)c1ccc(COc2ccccc2)o1	ZINC000023976145	182370802	/nfs/dbraw/zinc/37/08/02/182370802.db2.gz	PXFNKZSURNPOJF-UHFFFAOYSA-N	-1	3	324.361	4.044	50	30		DIEAHM
Cc1cc2c(c(C)c1Cl)C(=O)/C(=C/c1ccc([O-])cc1)O2	ZINC000299738228	257256442	/nfs/dbraw/zinc/25/64/42/257256442.db2.gz	LBLNKDZTSAFOGN-ZSOIEALJSA-N	-1	3	300.741	4.279	50	30		DIEAHM
CCCCCCCc1c(C)nc(NCc2ccccc2)[n-]c1=O	ZINC000033353711	520069431	/nfs/dbraw/zinc/06/94/31/520069431.db2.gz	AHLMNDXSFFHJNX-UHFFFAOYSA-N	-1	3	313.445	4.203	50	30		DIEAHM
O=C1c2cccc([O-])c2C/C1=C\c1cc(Br)cs1	ZINC000071887445	563283504	/nfs/dbraw/zinc/28/35/04/563283504.db2.gz	BOKPPXIWLGZFGE-XBXARRHUSA-N	-1	3	321.195	4.039	50	30		DIEAHM
Cc1cc(O)c(/N=C/c2cc(Br)ccc2[O-])cc1C	ZINC000085345253	563520472	/nfs/dbraw/zinc/52/04/72/563520472.db2.gz	ZPNMIDPZDIYSBT-CAOOACKPSA-N	-1	3	320.186	4.228	50	30		DIEAHM
CCN(CC)c1ccc(C=Nc2ccc(C(C)=O)cc2)c([O-])c1	ZINC000252462011	563915313	/nfs/dbraw/zinc/91/53/13/563915313.db2.gz	PDGXZXRPVKHTBS-UHFFFAOYSA-N	-1	3	310.397	4.192	50	30		DIEAHM
CCOc1cc(C=NNc2ccc(C)cc2)cc(Cl)c1[O-]	ZINC000252614167	563917830	/nfs/dbraw/zinc/91/78/30/563917830.db2.gz	JGONNWDKDNSZNE-UHFFFAOYSA-N	-1	3	304.777	4.199	50	30		DIEAHM
COc1ccc(/C=N/N=C/c2c([O-])ccc3ccccc32)cc1	ZINC000002250459	563920782	/nfs/dbraw/zinc/92/07/82/563920782.db2.gz	VDNHCZWTCMFPMX-ZIOPAAQOSA-N	-1	3	304.349	4.007	50	30		DIEAHM
CCc1c(C)sc([N-]C(=O)c2cc(F)ccc2F)c1C#N	ZINC000002758672	563940633	/nfs/dbraw/zinc/94/06/33/563940633.db2.gz	RYZFZOYXPYOLSL-UHFFFAOYSA-N	-1	3	306.337	4.021	50	30		DIEAHM
[O-]c1c(O)ccc(C=Nc2cccc(Oc3ccccc3)c2)c1O	ZINC000254509018	1047220240	/nfs/dbraw/zinc/22/02/40/1047220240.db2.gz	HGNLLBURSLIOFP-UHFFFAOYSA-N	-1	3	321.332	4.346	50	30		DIEAHM
CC(=O)Nc1ccc(/N=C/c2c([O-])ccc3ccccc32)cc1	ZINC000095483009	185373880	/nfs/dbraw/zinc/37/38/80/185373880.db2.gz	BWGKTGISDMYZSF-UDWIEESQSA-N	-1	3	304.349	4.254	50	30		DIEAHM
CCN(CC)c1ccc(/C=N/c2ccc(C)c(F)c2)c([O-])c1	ZINC000000298084	180751278	/nfs/dbraw/zinc/75/12/78/180751278.db2.gz	OCPVKLLLSYVJJJ-UDWIEESQSA-N	-1	3	300.377	4.437	50	30		DIEAHM
Brc1ccc(C=N[N-]c2nc3ccccc3o2)cc1	ZINC000003909460	181056974	/nfs/dbraw/zinc/05/69/74/181056974.db2.gz	WDXXKZQGXPUKCW-CXUHLZMHSA-N	-1	3	316.158	4.036	50	30		DIEAHM
CCOC(=O)c1c(C)c(C)sc1/N=C/c1ccc(C)cc1[O-]	ZINC000004833772	181159587	/nfs/dbraw/zinc/15/95/87/181159587.db2.gz	QVNSSZKERJZOFE-GIJQJNRQSA-N	-1	3	317.410	4.306	50	30		DIEAHM
COc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(Cl)c1[O-]	ZINC000005128024	181207225	/nfs/dbraw/zinc/20/72/25/181207225.db2.gz	DQUFBVXZRAENJT-VMPITWQZSA-N	-1	3	302.757	4.259	50	30		DIEAHM
COc1ccc(/C(=N\[O-])[C@@H]2C[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000005526806	181254030	/nfs/dbraw/zinc/25/40/30/181254030.db2.gz	NLXXWGSPQSMEKT-AIGMWWALSA-N	-1	3	301.773	4.331	50	30		DIEAHM
CC(=O)Nc1nnc(SCc2ccc(Cl)cc2Cl)[n-]1	ZINC000006262372	181323837	/nfs/dbraw/zinc/32/38/37/181323837.db2.gz	INJVFDBOCKZJSS-UHFFFAOYSA-N	-1	3	317.201	4.012	50	30	aggregator	DIEAHM
CC(=O)Nc1nc(SCc2ccc(Cl)cc2Cl)n[n-]1	ZINC000006262372	181323842	/nfs/dbraw/zinc/32/38/42/181323842.db2.gz	INJVFDBOCKZJSS-UHFFFAOYSA-N	-1	3	317.201	4.012	50	30	aggregator	DIEAHM
CC(=O)Nc1n[n-]c(SCc2ccc(Cl)cc2Cl)n1	ZINC000006262372	181323844	/nfs/dbraw/zinc/32/38/44/181323844.db2.gz	INJVFDBOCKZJSS-UHFFFAOYSA-N	-1	3	317.201	4.012	50	30	aggregator	DIEAHM
CCc1ncsc1C(=O)[N-]c1cc(C(C)(C)C)sc1C#N	ZINC000091208405	193018334	/nfs/dbraw/zinc/01/83/34/193018334.db2.gz	IZFAZOCLKCINHJ-UHFFFAOYSA-N	-1	3	319.455	4.188	50	30		DIEAHM
Cc1c(F)cccc1/N=C/c1cc(Br)ccc1[O-]	ZINC000044835910	183440827	/nfs/dbraw/zinc/44/08/27/183440827.db2.gz	IBCFCIGPQVFKMJ-CAOOACKPSA-N	-1	3	308.150	4.353	50	30		DIEAHM
Cc1cccc(CC/N=C/c2cc(Br)ccc2[O-])c1	ZINC000057411966	184037379	/nfs/dbraw/zinc/03/73/79/184037379.db2.gz	YONMHROASKNMDR-WOJGMQOQSA-N	-1	3	318.214	4.125	50	30		DIEAHM
Cc1ccccc1C/N=C/c1cc(Br)ccc1[O-]	ZINC000057411989	184037714	/nfs/dbraw/zinc/03/77/14/184037714.db2.gz	FQLIHINTHGTKRT-LICLKQGHSA-N	-1	3	304.187	4.082	50	30		DIEAHM
COc1cc(Br)cc(/C=N/c2cccc(C)c2)c1[O-]	ZINC000100296835	256562170	/nfs/dbraw/zinc/56/21/70/256562170.db2.gz	UDLMJPYQRBKCKA-RQZCQDPDSA-N	-1	3	320.186	4.222	50	30		DIEAHM
O=C1c2cccc([O-])c2C/C1=C/c1csc(Br)c1	ZINC000032789531	527126105	/nfs/dbraw/zinc/12/61/05/527126105.db2.gz	USFUKFNZNXLHIJ-WTKPLQERSA-N	-1	3	321.195	4.039	50	30		DIEAHM
O=C(/C=C\c1ccc(Br)cc1)c1cccc([O-])c1	ZINC000034897649	527655087	/nfs/dbraw/zinc/65/50/87/527655087.db2.gz	IIRXFNIZXUTCQA-TWGQIWQCSA-N	-1	3	303.155	4.051	50	30		DIEAHM
CCc1cccc(/N=C/c2cc(Br)ccc2[O-])c1	ZINC000100037596	563545197	/nfs/dbraw/zinc/54/51/97/563545197.db2.gz	GJOBWBLIUFJOGH-LICLKQGHSA-N	-1	3	304.187	4.468	50	30		DIEAHM
Fc1cccc(Cl)c1C=NNC([S-])=Nc1ccccc1	ZINC000001969749	563886737	/nfs/dbraw/zinc/88/67/37/563886737.db2.gz	XPKKIPOQFBYVMP-RQZCQDPDSA-N	-1	3	307.781	4.211	50	30		DIEAHM
CCN(CC)c1ccc(/C=N/c2ccc(Cl)cn2)c([O-])c1	ZINC000000100801	563216808	/nfs/dbraw/zinc/21/68/08/563216808.db2.gz	CAZMZLRNCMKKMW-VCHYOVAHSA-N	-1	3	303.793	4.037	50	30		DIEAHM
O=[N+]([O-])c1ccc(F)c(/N=C/c2c([O-])ccc3ccccc23)c1	ZINC000000273831	563235311	/nfs/dbraw/zinc/23/53/11/563235311.db2.gz	TWLOMCJDXNBXHZ-VXLYETTFSA-N	-1	3	310.284	4.343	50	30		DIEAHM
C[C@@H]1CC(C)(C)N2C(=O)/C(=N/c3ccc([O-])cc3)c3cccc1c32	ZINC000012406288	563369205	/nfs/dbraw/zinc/36/92/05/563369205.db2.gz	HMIGLVWECWRVJU-SCGHJSMSSA-N	-1	3	320.392	4.145	50	30		DIEAHM
CCc1ccc([O-])c(/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)c1	ZINC000000059964	563516097	/nfs/dbraw/zinc/51/60/97/563516097.db2.gz	QMCRWTZRWVIBBC-RQZCQDPDSA-N	-1	3	304.733	4.267	50	30		DIEAHM
[O-]c1ccccc1/C=N/c1ccc2c(c1)ncn2-c1ccccc1	ZINC000000255258	563582314	/nfs/dbraw/zinc/58/23/14/563582314.db2.gz	CEAQZOYTWCXLLI-FYJGNVAPSA-N	-1	3	313.360	4.482	50	30		DIEAHM
CCCOc1ccc(/C=C/C(=O)c2ccc([O-])c(OC)c2)cc1	ZINC000008322756	563947947	/nfs/dbraw/zinc/94/79/47/563947947.db2.gz	VRSWYEZEHGGKHB-UXBLZVDNSA-N	-1	3	312.365	4.086	50	30		DIEAHM
Cc1csc(-c2ccc(C([O-])=C(C#N)c3ccccn3)cc2)n1	ZINC000071849866	563959181	/nfs/dbraw/zinc/95/91/81/563959181.db2.gz	RJRXNCSMBWJAFF-HNNXBMFYSA-N	-1	3	319.389	4.004	50	30		DIEAHM
[O-]c1c(/C=N/c2cccc3nsnc32)ccc2ccccc21	ZINC000013130609	1045554914	/nfs/dbraw/zinc/55/49/14/1045554914.db2.gz	SASMOPOIRXAUAD-VCHYOVAHSA-N	-1	3	305.362	4.301	50	30		DIEAHM
FC(F)(F)c1ccccc1C=N[N-]c1nc2ccccc2o1	ZINC000254764508	1047242428	/nfs/dbraw/zinc/24/24/28/1047242428.db2.gz	QERMADQGXXKRTE-UHFFFAOYSA-N	-1	3	305.259	4.293	50	30		DIEAHM