smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C#Cc1ccccc1[N-]S(C)(=O)=O	36372791	537800437	/nfs/dbraw/zinc/80/04/37/537800437.db2.gz	LZJHGBGDGMJBCC-UHFFFAOYSA-N	-1	3	195.243	1.039	10	30		ADEEHM
N/C(=N/[O-])c1cccc(C(F)F)c1	124809962	537976852	/nfs/dbraw/zinc/97/68/52/537976852.db2.gz	MNMDKAZOATYZGL-UHFFFAOYSA-N	-1	3	186.161	1.719	10	30		ADEEHM
N#CCc1ccc2[nH]ccc2c1[O-]	214024116	571704915	/nfs/dbraw/zinc/70/49/15/571704915.db2.gz	KSILOSCGPKRCIB-UHFFFAOYSA-N	-1	3	172.187	1.940	10	30		ADEEHM
CCON=Cc1ccc([O-])cn1	308074875	757102424	/nfs/dbraw/zinc/10/24/24/757102424.db2.gz	CLFGQFIVRLZJEA-UHFFFAOYSA-N	-1	3	166.180	1.158	10	30		ADEEHM
C=C(C)CO[N-]C(=O)CCC	400892149	757148516	/nfs/dbraw/zinc/14/85/16/757148516.db2.gz	IDKCZKZBDKINLM-UHFFFAOYSA-N	-1	3	157.213	1.410	10	30		ADEEHM
C[C@H](Oc1ccc(F)cc1)/C(N)=N/[O-]	43516489	572195453	/nfs/dbraw/zinc/19/54/53/572195453.db2.gz	WXUWTJWLPOCVQH-LURJTMIESA-N	-1	3	198.197	1.339	10	30		ADEEHM
C[C@H](Oc1cccc(F)c1)/C(N)=N/[O-]	43516504	572195461	/nfs/dbraw/zinc/19/54/61/572195461.db2.gz	IBNNRRXCXKNTBN-LURJTMIESA-N	-1	3	198.197	1.339	10	30		ADEEHM
CCN(C)N=Cc1ccc([O-])cn1	308215010	572948555	/nfs/dbraw/zinc/94/85/55/572948555.db2.gz	ISRJSMLUGXPCKA-UHFFFAOYSA-N	-1	3	179.223	1.073	10	30		ADEEHM
C#Cc1ccc2c([O-])coc2c1	714117324	572651804	/nfs/dbraw/zinc/65/18/04/572651804.db2.gz	YSMCDTADKUDZGX-UHFFFAOYSA-N	-1	3	158.156	1.243	10	30		ADEEHM
COc1cccc(C=N[O-])c1N	307888677	572734181	/nfs/dbraw/zinc/73/41/81/572734181.db2.gz	NGTZOTPHDYEJGJ-UHFFFAOYSA-N	-1	3	166.180	1.086	10	30		ADEEHM
CC#CCO[N-]C(=O)C(C)(C)C	307001012	572895451	/nfs/dbraw/zinc/89/54/51/572895451.db2.gz	BYHXCVSCEYITIF-UHFFFAOYSA-N	-1	3	169.224	1.104	10	30		ADEEHM
N#CCOc1ccc(/C=N/[O-])cc1	58181368	572943722	/nfs/dbraw/zinc/94/37/22/572943722.db2.gz	GQPRRPOGLPUUOB-YRNVUSSQSA-N	-1	3	176.175	1.397	10	30		ADEEHM
CC1=CC([O-])=CC(=O)[C@@H]2CCC[C@@H]12	238253748	573017452	/nfs/dbraw/zinc/01/74/52/573017452.db2.gz	PTYKACYYRPZOSD-VHSXEESVSA-N	-1	3	178.231	1.891	10	30		ADEEHM
CCCCN([O-])C(=O)CC1CC1	1119554930	757767691	/nfs/dbraw/zinc/76/76/91/757767691.db2.gz	GDPULLAXFMEJEK-UHFFFAOYSA-N	-1	3	171.240	1.804	10	30		ADEEHM
COc1cc(C)c([O-])c(C#N)c1	257935270	573050036	/nfs/dbraw/zinc/05/00/36/573050036.db2.gz	CENPERZCKXWNRI-UHFFFAOYSA-N	-1	3	163.176	1.581	10	30		ADEEHM
C=C(C)CCC(=O)[N-]OCC	1120631133	757814386	/nfs/dbraw/zinc/81/43/86/757814386.db2.gz	HZUPIEKFUPBHGI-UHFFFAOYSA-N	-1	3	157.213	1.410	10	30		ADEEHM
C=CCO[N-]C(=O)CCC(=C)C	1120742514	757816313	/nfs/dbraw/zinc/81/63/13/757816313.db2.gz	DLFCUJVRFGQEQS-UHFFFAOYSA-N	-1	3	169.224	1.577	10	30		ADEEHM
C#CCN(C)Cc1cccc(F)c1[O-]	1138128752	757882244	/nfs/dbraw/zinc/88/22/44/757882244.db2.gz	XHIMELAOLUZJKQ-UHFFFAOYSA-N	-1	3	193.221	1.596	10	30		ADEEHM
Nc1c(C=N[O-])ccc2ncccc12	308261560	573113616	/nfs/dbraw/zinc/11/36/16/573113616.db2.gz	LIORMTVHNLXADF-UHFFFAOYSA-N	-1	3	187.202	1.625	10	30		ADEEHM
C[C@@H](CC=O)c1ccc(F)c(O)c1[O-]	257947658	573120545	/nfs/dbraw/zinc/12/05/45/573120545.db2.gz	AMOYFVQUWKQQTP-LURJTMIESA-N	-1	3	198.193	1.929	10	30		ADEEHM
C[C@@H](CC=O)c1ccc(F)c([O-])c1O	257947658	573120551	/nfs/dbraw/zinc/12/05/51/573120551.db2.gz	AMOYFVQUWKQQTP-LURJTMIESA-N	-1	3	198.193	1.929	10	30		ADEEHM
C=CCO[N-]C(=O)CC[C@H]1CCOC1	1140879552	757923662	/nfs/dbraw/zinc/92/36/62/757923662.db2.gz	IRCJTUSCAKHHMP-VIFPVBQESA-N	-1	3	199.250	1.037	10	30		ADEEHM
C=CCO[N-]C(=O)CC[C@@H]1CCOC1	1140879551	757927411	/nfs/dbraw/zinc/92/74/11/757927411.db2.gz	IRCJTUSCAKHHMP-SECBINFHSA-N	-1	3	199.250	1.037	10	30		ADEEHM
C=CCONC(=O)c1ccccc1[O-]	1140879341	757932299	/nfs/dbraw/zinc/93/22/99/757932299.db2.gz	CIGXWRKYEBGEFU-UHFFFAOYSA-N	-1	3	193.202	1.240	10	30		ADEEHM
C=C[C@@H](C)OC(=S)[N-]C	104693628	573194295	/nfs/dbraw/zinc/19/42/95/573194295.db2.gz	GNMBUIWAZJMKLU-RXMQYKEDSA-N	-1	3	145.227	1.082	10	30		ADEEHM
C#CCO[N-]C(=O)[C@H](C)[C@H](C)C=C	388686254	573202375	/nfs/dbraw/zinc/20/23/75/573202375.db2.gz	JUICZBDOPVCGJB-RKDXNWHRSA-N	-1	3	181.235	1.126	10	30		ADEEHM
Cc1c([O-])ccc(C#N)c1O	257974561	573218157	/nfs/dbraw/zinc/21/81/57/573218157.db2.gz	IVXFUDNEQLOOKO-UHFFFAOYSA-N	-1	3	149.149	1.278	10	30		ADEEHM
[O-]/N=C/c1cccc2cc[nH]c12	116127679	573242710	/nfs/dbraw/zinc/24/27/10/573242710.db2.gz	WSJQZLCLVQLLGF-IZZDOVSWSA-N	-1	3	160.176	1.976	10	30		ADEEHM
C/C(=N/N(C)C)c1ccccc1[O-]	105261715	573246972	/nfs/dbraw/zinc/24/69/72/573246972.db2.gz	KALUQYQAFFEUHX-FLIBITNWSA-N	-1	3	178.235	1.678	10	30		ADEEHM
N#Cc1c([O-])ccc2c1OCCCO2	257977203	573247015	/nfs/dbraw/zinc/24/70/15/573247015.db2.gz	DLSWQZGOWXGZGE-UHFFFAOYSA-N	-1	3	191.186	1.425	10	30		ADEEHM
N#Cc1nc(-c2ccccc2[O-])c[nH]1	259391807	573255672	/nfs/dbraw/zinc/25/56/72/573255672.db2.gz	AMHSYWYZPPEWOV-UHFFFAOYSA-N	-1	3	185.186	1.654	10	30		ADEEHM
C[C@@H](CCC(=O)[O-])NCC(C)(C)C#N	129209120	573257167	/nfs/dbraw/zinc/25/71/67/573257167.db2.gz	NLBLTLOZFOFPNK-QMMMGPOBSA-N	-1	3	198.266	1.379	10	30		ADEEHM
Cc1cc([C@@H](C)O)cc(C#N)c1[O-]	257982834	573261013	/nfs/dbraw/zinc/26/10/13/573261013.db2.gz	JXHKCDDMTKXZCP-SSDOTTSWSA-N	-1	3	177.203	1.626	10	30		ADEEHM
CCC[C@H](O)/N=C/c1ccccc1[O-]	308338496	573270887	/nfs/dbraw/zinc/27/08/87/573270887.db2.gz	UOMAFGHKUGGOAE-SERMCNLOSA-N	-1	3	193.246	1.930	10	30		ADEEHM
COc1c(CC#N)ccc(F)c1[O-]	257988761	573273042	/nfs/dbraw/zinc/27/30/42/573273042.db2.gz	KMCTWEVMUKKRRB-UHFFFAOYSA-N	-1	3	181.166	1.606	10	30		ADEEHM
Cc1ccc(-c2cnc(C#N)[n-]2)o1	259066175	573281069	/nfs/dbraw/zinc/28/10/69/573281069.db2.gz	KEKJUDVAPBEPAG-UHFFFAOYSA-N	-1	3	173.175	1.850	10	30		ADEEHM
Cc1ccc(-c2c[n-]c(C#N)n2)o1	259066175	573281074	/nfs/dbraw/zinc/28/10/74/573281074.db2.gz	KEKJUDVAPBEPAG-UHFFFAOYSA-N	-1	3	173.175	1.850	10	30		ADEEHM
C[C@](F)(C=O)c1ccccc1[O-]	258490431	573288049	/nfs/dbraw/zinc/28/80/49/573288049.db2.gz	KDYISTMVYQDPBM-VIFPVBQESA-N	-1	3	168.167	1.776	10	30		ADEEHM
C[C@@](F)(C=O)c1ccccc1[O-]	258490430	573288183	/nfs/dbraw/zinc/28/81/83/573288183.db2.gz	KDYISTMVYQDPBM-SECBINFHSA-N	-1	3	168.167	1.776	10	30		ADEEHM
N#CC=C([O-])c1ccc2n[nH]cc2c1	116509682	573290861	/nfs/dbraw/zinc/29/08/61/573290861.db2.gz	MJAQHKRXJQZHNL-UHFFFAOYSA-N	-1	3	185.186	1.659	10	30		ADEEHM
Cc1cc(C#N)c(CN)cc1C(=O)[O-]	306601114	573323804	/nfs/dbraw/zinc/32/38/04/573323804.db2.gz	JSQGXAPYWSZWDC-UHFFFAOYSA-N	-1	3	190.202	1.024	10	30		ADEEHM
COc1ccc(/C=N/[O-])c(N)c1	238355791	573337531	/nfs/dbraw/zinc/33/75/31/573337531.db2.gz	FKWCIJKUIRGPIU-BJMVGYQFSA-N	-1	3	166.180	1.086	10	30		ADEEHM
N#CC1(c2c([O-])ccc(O)c2F)CC1	214709518	573343673	/nfs/dbraw/zinc/34/36/73/573343673.db2.gz	IBBAFXSYQVAVGZ-UHFFFAOYSA-N	-1	3	193.177	1.792	10	30		ADEEHM
N#CC1(c2c(O)ccc([O-])c2F)CC1	214709518	573343677	/nfs/dbraw/zinc/34/36/77/573343677.db2.gz	IBBAFXSYQVAVGZ-UHFFFAOYSA-N	-1	3	193.177	1.792	10	30		ADEEHM
C#CCON[C@@H](C)c1ccccc1[O-]	308561340	573356929	/nfs/dbraw/zinc/35/69/29/573356929.db2.gz	FLEWSUWAZNXLMI-VIFPVBQESA-N	-1	3	191.230	1.608	10	30		ADEEHM
Cc1cc(C#N)c(CN)c(C(=O)[O-])c1	307089037	573357196	/nfs/dbraw/zinc/35/71/96/573357196.db2.gz	UMKAUSFMSYPDAD-UHFFFAOYSA-N	-1	3	190.202	1.024	10	30		ADEEHM
Cc1ccc2nnc(C#N)c-2[n-]1	259426936	573358866	/nfs/dbraw/zinc/35/88/66/573358866.db2.gz	LUSPIVOZTUPKBV-UHFFFAOYSA-N	-1	3	158.164	1.138	10	30		ADEEHM
Cc1ccc2n[n-]c(C#N)c2n1	259426936	573358868	/nfs/dbraw/zinc/35/88/68/573358868.db2.gz	LUSPIVOZTUPKBV-UHFFFAOYSA-N	-1	3	158.164	1.138	10	30		ADEEHM
Cc1ccc2[n-]nc(C#N)c2n1	259426936	573358872	/nfs/dbraw/zinc/35/88/72/573358872.db2.gz	LUSPIVOZTUPKBV-UHFFFAOYSA-N	-1	3	158.164	1.138	10	30		ADEEHM
COc1ccc(/C(C)=N/N)c([O-])c1	118624318	573414629	/nfs/dbraw/zinc/41/46/29/573414629.db2.gz	LWUSJNRPIMYISV-IZZDOVSWSA-N	-1	3	180.207	1.084	10	30		ADEEHM
C=C(C)C[C@H]1CC(=O)C(C)=C1[O-]	238390965	573423390	/nfs/dbraw/zinc/42/33/90/573423390.db2.gz	QQXZYUPADLJBPK-SFYZADRCSA-N	-1	3	166.220	1.747	10	30		ADEEHM
C#CCN(CC(=O)[O-])[C@@H]1C[C@H](C)[C@H]1C	393665499	573460623	/nfs/dbraw/zinc/46/06/23/573460623.db2.gz	HTGUBKBFYJIWMG-IVZWLZJFSA-N	-1	3	195.262	1.051	10	30		ADEEHM
Cc1cc(F)c([O-])c(CCC=O)c1	258036142	573464988	/nfs/dbraw/zinc/46/49/88/573464988.db2.gz	JLTFXPKWCTUPCQ-UHFFFAOYSA-N	-1	3	182.194	1.971	10	30		ADEEHM
O=C1C=C([O-])[C@@H]2CCCC[C@H]12	139915094	571989185	/nfs/dbraw/zinc/98/91/85/571989185.db2.gz	CJLMMGAUHBESMI-NKWVEPMBSA-N	-1	3	152.193	1.817	10	30		ADEEHM
C=CC[C@@H]1C([O-])=CC(=O)C[C@H]1C	238408111	573492426	/nfs/dbraw/zinc/49/24/26/573492426.db2.gz	ZVCZZWJCWOPENN-APPZFPTMSA-N	-1	3	166.220	1.747	10	30		ADEEHM
C=CC[C@@H]1C(=O)C=C([O-])C[C@H]1C	238408111	573492431	/nfs/dbraw/zinc/49/24/31/573492431.db2.gz	ZVCZZWJCWOPENN-APPZFPTMSA-N	-1	3	166.220	1.747	10	30		ADEEHM
C=CC[C@H]1C([O-])=CC(=O)C[C@H]1C	238408097	573493134	/nfs/dbraw/zinc/49/31/34/573493134.db2.gz	ZVCZZWJCWOPENN-VXNVDRBHSA-N	-1	3	166.220	1.747	10	30		ADEEHM
C[C@H](N)c1cc([O-])ccc1C#N	238423215	573512051	/nfs/dbraw/zinc/51/20/51/573512051.db2.gz	FHOMKVXPFLZIMQ-LURJTMIESA-N	-1	3	162.192	1.284	10	30		ADEEHM
C=C(C)C[C@@H]1CC(=O)C(C)=C1[O-]	238434194	573536147	/nfs/dbraw/zinc/53/61/47/573536147.db2.gz	QQXZYUPADLJBPK-JGVFFNPUSA-N	-1	3	166.220	1.747	10	30		ADEEHM
COc1c(C#N)cc(C)c([O-])c1OC	238431285	573536503	/nfs/dbraw/zinc/53/65/03/573536503.db2.gz	COICQMKTWOBUAK-UHFFFAOYSA-N	-1	3	193.202	1.590	10	30		ADEEHM
C#CC(C)(C)NC/C(C)=C\C(=O)[O-]	308118738	572777025	/nfs/dbraw/zinc/77/70/25/572777025.db2.gz	XUQSRGGYWWWHAI-VURMDHGXSA-N	-1	3	181.235	1.019	10	30		ADEEHM
C#C[C@](C)(CC)Nc1cc(=O)[n-]cn1	307733821	572777765	/nfs/dbraw/zinc/77/77/65/572777765.db2.gz	NYXGOPGDCOKTEQ-SNVBAGLBSA-N	-1	3	191.234	1.396	10	30		ADEEHM
C=C(C)CCNc1nc[n-]c(=O)c1N	307030641	572872463	/nfs/dbraw/zinc/87/24/63/572872463.db2.gz	DOENSIUXJFQTEG-UHFFFAOYSA-N	-1	3	194.238	1.143	10	30		ADEEHM
C#CCN(CC(=O)[O-])[C@H](CC)C(C)C	86156590	572876124	/nfs/dbraw/zinc/87/61/24/572876124.db2.gz	XPCPOOXYCPBFPN-SNVBAGLBSA-N	-1	3	197.278	1.441	10	30		ADEEHM
CCOC(=O)[C@H](C)/C(C)=N/[O-]	59508436	572974845	/nfs/dbraw/zinc/97/48/45/572974845.db2.gz	MQIUONDZRHCMOL-KITRQZPWSA-N	-1	3	159.185	1.036	10	30		ADEEHM
Cc1cccc(N[C@H]([S-])NN)c1	104558604	573014094	/nfs/dbraw/zinc/01/40/94/573014094.db2.gz	HIUJRXISUCFFOU-QMMMGPOBSA-N	-1	3	183.280	1.084	10	30		ADEEHM
Cc1ccccc1N[C@@H]([S-])NN	104558618	573014225	/nfs/dbraw/zinc/01/42/25/573014225.db2.gz	KITPAMQDTZQAGC-MRVPVSSYSA-N	-1	3	183.280	1.084	10	30		ADEEHM
N#CC[C@@H]1CCc2c1nc[n-]c2=O	259595719	573019375	/nfs/dbraw/zinc/01/93/75/573019375.db2.gz	GIXATJWDQSEVFL-LURJTMIESA-N	-1	3	175.191	1.126	10	30		ADEEHM
Cc1cnc(-c2nc(C)c(C#N)[n-]2)o1	259313764	573029686	/nfs/dbraw/zinc/02/96/86/573029686.db2.gz	AQXTTZGTDZXDHL-UHFFFAOYSA-N	-1	3	188.190	1.553	10	30		ADEEHM
Cc1cnc(-c2nc(C#N)c(C)[n-]2)o1	259313764	573029691	/nfs/dbraw/zinc/02/96/91/573029691.db2.gz	AQXTTZGTDZXDHL-UHFFFAOYSA-N	-1	3	188.190	1.553	10	30		ADEEHM
CCCCc1oc(=O)ccc1[O-]	238248138	573030418	/nfs/dbraw/zinc/03/04/18/573030418.db2.gz	ISSWQCRDAAIEDL-MRVPVSSYSA-N	-1	3	168.192	1.227	10	30		ADEEHM
CCN(CC)C1=CC(=O)/C(=N\[O-])C=C1	238262464	573040280	/nfs/dbraw/zinc/04/02/80/573040280.db2.gz	ILRBJGHYSXNZHX-LUAWRHEFSA-N	-1	3	194.234	1.181	10	30		ADEEHM
C=CCCCOC(=O)c1cn[n-]c1	308262980	573106923	/nfs/dbraw/zinc/10/69/23/573106923.db2.gz	NSFRQGCPUZYPNE-UHFFFAOYSA-N	-1	3	180.207	1.533	10	30		ADEEHM
Cc1ccoc1C([O-])=C(C#N)C#N	88329479	573115101	/nfs/dbraw/zinc/11/51/01/573115101.db2.gz	VLVKWDOSIWWPBR-UHFFFAOYSA-N	-1	3	174.159	1.434	10	30		ADEEHM
COc1cc([O-])c(CCC=O)c(F)c1	257947798	573121547	/nfs/dbraw/zinc/12/15/47/573121547.db2.gz	AQDGPSCOAQJMBO-UHFFFAOYSA-N	-1	3	198.193	1.671	10	30		ADEEHM
C=C(C)C[C@@H]1C([O-])=CC(=O)[C@@H]1C	238457004	573597984	/nfs/dbraw/zinc/59/79/84/573597984.db2.gz	MSQNJLPTUSOKEZ-SFYZADRCSA-N	-1	3	166.220	1.747	10	30		ADEEHM
Cc1ccc([O-])c(SCC=O)n1	238457257	573598037	/nfs/dbraw/zinc/59/80/37/573598037.db2.gz	INBYVNMLLPWDHD-UHFFFAOYSA-N	-1	3	183.232	1.387	10	30		ADEEHM
O=CCCc1cc([O-])c(F)cc1O	257951765	573135108	/nfs/dbraw/zinc/13/51/08/573135108.db2.gz	BBHQNHIJRKBELE-UHFFFAOYSA-N	-1	3	184.166	1.368	10	30		ADEEHM
CC1=C([O-])[C@H](C)[C@H](C)C1=O	141959534	573135147	/nfs/dbraw/zinc/13/51/47/573135147.db2.gz	JAENBJSQSWLYER-UHNVWZDZSA-N	-1	3	140.182	1.673	10	30		ADEEHM
CC(C)(C)C(=O)c1cc(C#N)[n-]n1	259337855	573137560	/nfs/dbraw/zinc/13/75/60/573137560.db2.gz	BXLSYJNPRAKQHR-UHFFFAOYSA-N	-1	3	177.207	1.510	10	30		ADEEHM
CC(C)(C)C(=O)c1cc(C#N)n[n-]1	259337855	573137564	/nfs/dbraw/zinc/13/75/64/573137564.db2.gz	BXLSYJNPRAKQHR-UHFFFAOYSA-N	-1	3	177.207	1.510	10	30		ADEEHM
C[C@H](CC=O)c1cc([O-])c(F)cc1O	257960443	573183148	/nfs/dbraw/zinc/18/31/48/573183148.db2.gz	BWARHBHCSRBLPY-ZCFIWIBFSA-N	-1	3	198.193	1.929	10	30		ADEEHM
C=C[C@H](C)OC(=S)[N-]C	104693625	573195306	/nfs/dbraw/zinc/19/53/06/573195306.db2.gz	GNMBUIWAZJMKLU-YFKPBYRVSA-N	-1	3	145.227	1.082	10	30		ADEEHM
Cc1cc(CNO)cc(C#N)c1[O-]	257966004	573195921	/nfs/dbraw/zinc/19/59/21/573195921.db2.gz	HNBVGRWTRWBMMY-UHFFFAOYSA-N	-1	3	178.191	1.051	10	30		ADEEHM
C#CCN[C@](C)(CCC=C)C(=O)[O-]	132107077	573211851	/nfs/dbraw/zinc/21/18/51/573211851.db2.gz	VVRQENQYMXEGHV-SNVBAGLBSA-N	-1	3	181.235	1.019	10	30		ADEEHM
N#Cc1c([O-])c[nH]c1-c1cc[nH]c1	259376508	573211968	/nfs/dbraw/zinc/21/19/68/573211968.db2.gz	HRLCLFIWJLXHKK-UHFFFAOYSA-N	-1	3	173.175	1.587	10	30		ADEEHM
COc1c([O-])cc([C@@H](C)O)cc1C#N	257971158	573212015	/nfs/dbraw/zinc/21/20/15/573212015.db2.gz	CXHIEHDVECSSJU-ZCFIWIBFSA-N	-1	3	193.202	1.326	10	30		ADEEHM
C#CCN[C@@](C)(CCC=C)C(=O)[O-]	132107276	573212090	/nfs/dbraw/zinc/21/20/90/573212090.db2.gz	VVRQENQYMXEGHV-JTQLQIEISA-N	-1	3	181.235	1.019	10	30		ADEEHM
Cc1ccc(/C(Cl)=N/[O-])nc1	235745875	573244082	/nfs/dbraw/zinc/24/40/82/573244082.db2.gz	SGMBKAPEJFXZNH-YFHOEESVSA-N	-1	3	170.599	1.765	10	30		ADEEHM
COc1ccc(C)c([O-])c1C#N	257977404	573250719	/nfs/dbraw/zinc/25/07/19/573250719.db2.gz	JEKQQWFVXXATID-UHFFFAOYSA-N	-1	3	163.176	1.581	10	30		ADEEHM
C[C@@H](C=O)Cc1ccc(C#N)c([O-])c1	238457553	573600617	/nfs/dbraw/zinc/60/06/17/573600617.db2.gz	IOTMFJJMXPJNJJ-MRVPVSSYSA-N	-1	3	189.214	1.641	10	30		ADEEHM
C[C@H]1CCC[C@](N)(C(=O)[N-]C#N)C1	86075917	573250400	/nfs/dbraw/zinc/25/04/00/573250400.db2.gz	ISBNTTUPVJPVHM-IONNQARKSA-N	-1	3	181.239	1.332	10	30		ADEEHM
C[C@H](CCC(=O)[O-])NCC(C)(C)C#N	129209367	573259200	/nfs/dbraw/zinc/25/92/00/573259200.db2.gz	NLBLTLOZFOFPNK-MRVPVSSYSA-N	-1	3	198.266	1.379	10	30		ADEEHM
O=C1/C(=N\[O-])Cc2ccc(F)cc21	105436575	573262485	/nfs/dbraw/zinc/26/24/85/573262485.db2.gz	UZVJETVLZNUWJH-FLIBITNWSA-N	-1	3	179.150	1.395	10	30		ADEEHM
O=CCCc1ccc([O-])cc1C=O	257982662	573262503	/nfs/dbraw/zinc/26/25/03/573262503.db2.gz	JTWRGGNAQSDTLQ-UHFFFAOYSA-N	-1	3	178.187	1.336	10	30		ADEEHM
Cc1cc([C@H](C)O)cc(C#N)c1[O-]	257982837	573262808	/nfs/dbraw/zinc/26/28/08/573262808.db2.gz	JXHKCDDMTKXZCP-ZETCQYMHSA-N	-1	3	177.203	1.626	10	30		ADEEHM
N#CCCN/N=C/c1ccccc1[O-]	308365253	573361039	/nfs/dbraw/zinc/36/10/39/573361039.db2.gz	ITGVGOLVUJWXKW-MDWZMJQESA-N	-1	3	189.218	1.229	10	30		ADEEHM
CN1CCc2c1ccc(C#N)c2[O-]	258007835	573363466	/nfs/dbraw/zinc/36/34/66/573363466.db2.gz	MMUFASBFLCWWJK-UHFFFAOYSA-N	-1	3	174.203	1.256	10	30		ADEEHM
COc1cc([O-])c(CCC#N)c(F)c1	214785278	573368569	/nfs/dbraw/zinc/36/85/69/573368569.db2.gz	QLTQDQMKKMFUST-UHFFFAOYSA-N	-1	3	195.193	1.996	10	30		ADEEHM
COc1ccc([O-])c(F)c1CCC#N	214784934	573369406	/nfs/dbraw/zinc/36/94/06/573369406.db2.gz	AWCIAMDJLLPJJS-UHFFFAOYSA-N	-1	3	195.193	1.996	10	30		ADEEHM
COc1c(CCC#N)ccc([O-])c1F	214785074	573369496	/nfs/dbraw/zinc/36/94/96/573369496.db2.gz	CFCCOXGPRLCRRO-UHFFFAOYSA-N	-1	3	195.193	1.996	10	30		ADEEHM
Cc1cc([O-])c([C@H](N)CC#N)cc1F	211710150	573383025	/nfs/dbraw/zinc/38/30/25/573383025.db2.gz	KCQZSJKKIGJBBK-SECBINFHSA-N	-1	3	194.209	1.753	10	30		ADEEHM
C#CCONCc1ccc([O-])c(F)c1	308567183	573383440	/nfs/dbraw/zinc/38/34/40/573383440.db2.gz	IILMYOOHMSNCDH-UHFFFAOYSA-N	-1	3	195.193	1.186	10	30		ADEEHM
COc1c([O-])cc(C(C)=O)cc1C#N	258019006	573410213	/nfs/dbraw/zinc/41/02/13/573410213.db2.gz	HYJXFZXZHHMQMT-UHFFFAOYSA-N	-1	3	191.186	1.475	10	30		ADEEHM
Cc1ccc(N([O-])C(=O)[C@@H](C)N)cc1	238403115	573458595	/nfs/dbraw/zinc/45/85/95/573458595.db2.gz	OXGPNAQIOSSAFG-MRVPVSSYSA-N	-1	3	194.234	1.064	10	30		ADEEHM
C=CCNc1nc[n-]c(=O)c1SC	238402371	573460112	/nfs/dbraw/zinc/46/01/12/573460112.db2.gz	TVCGBJBNKZOVCP-UHFFFAOYSA-N	-1	3	197.263	1.090	10	30		ADEEHM
C[C@H](CC=O)c1ccc(O)c([O-])c1F	258033232	573460134	/nfs/dbraw/zinc/46/01/34/573460134.db2.gz	JCKXMWFCCPZHLP-ZCFIWIBFSA-N	-1	3	198.193	1.929	10	30		ADEEHM
C[C@H](CC=O)c1ccc([O-])c(O)c1F	258033232	573460139	/nfs/dbraw/zinc/46/01/39/573460139.db2.gz	JCKXMWFCCPZHLP-ZCFIWIBFSA-N	-1	3	198.193	1.929	10	30		ADEEHM
Cc1oc2c(=O)cc[n-]c2c1C#N	259465408	573472371	/nfs/dbraw/zinc/47/23/71/573472371.db2.gz	YIQVZXKKBMCJPU-UHFFFAOYSA-N	-1	3	174.159	1.714	10	30		ADEEHM
Cc1coc(-c2nc(C)c(C#N)[n-]2)n1	259475647	573496098	/nfs/dbraw/zinc/49/60/98/573496098.db2.gz	NIIXWOGGIKYROS-UHFFFAOYSA-N	-1	3	188.190	1.553	10	30		ADEEHM
Cc1coc(-c2nc(C#N)c(C)[n-]2)n1	259475647	573496104	/nfs/dbraw/zinc/49/61/04/573496104.db2.gz	NIIXWOGGIKYROS-UHFFFAOYSA-N	-1	3	188.190	1.553	10	30		ADEEHM
Cc1cc(CC#N)cc(C#N)c1[O-]	258044430	573495702	/nfs/dbraw/zinc/49/57/02/573495702.db2.gz	QLOLJFGJGYHNRY-UHFFFAOYSA-N	-1	3	172.187	1.638	10	30		ADEEHM
N#Cc1[n-]c(=S)nc2c1CCC2	259479230	573502832	/nfs/dbraw/zinc/50/28/32/573502832.db2.gz	AAYDAMGNSQGXCX-UHFFFAOYSA-N	-1	3	177.232	1.126	10	30		ADEEHM
N#Cc1ccc(-n2cccn2)cc1[O-]	166332631	573502899	/nfs/dbraw/zinc/50/28/99/573502899.db2.gz	IZENNFOLHINJFO-UHFFFAOYSA-N	-1	3	185.186	1.450	10	30		ADEEHM
Cc1ccc(C2([S-])COC2)o1	259110388	573503030	/nfs/dbraw/zinc/50/30/30/573503030.db2.gz	FZAXQICVHLCVNW-UHFFFAOYSA-N	-1	3	170.233	1.743	10	30		ADEEHM
N#Cc1cc(C(=O)C2CCCC2)n[n-]1	259477937	573503086	/nfs/dbraw/zinc/50/30/86/573503086.db2.gz	NLEPQLOYHIGZEY-UHFFFAOYSA-N	-1	3	189.218	1.654	10	30		ADEEHM
N#Cc1cc(C(=O)C2CCCC2)[n-]n1	259477937	573503090	/nfs/dbraw/zinc/50/30/90/573503090.db2.gz	NLEPQLOYHIGZEY-UHFFFAOYSA-N	-1	3	189.218	1.654	10	30		ADEEHM
Cc1cc(CCC=O)cc(C#N)c1[O-]	258050446	573503346	/nfs/dbraw/zinc/50/33/46/573503346.db2.gz	KOVDMBLKVFAVBZ-UHFFFAOYSA-N	-1	3	189.214	1.704	10	30		ADEEHM
C[C@@H](S)C(C)(C)c1nccc(=O)[n-]1	238419945	573505223	/nfs/dbraw/zinc/50/52/23/573505223.db2.gz	HXNDPNIOHSXMKE-ZCFIWIBFSA-N	-1	3	198.291	1.366	10	30		ADEEHM
CC(C)(O)c1cc(C#N)c([O-])cc1O	258050473	573506851	/nfs/dbraw/zinc/50/68/51/573506851.db2.gz	KPUDOYXPLRBLOZ-UHFFFAOYSA-N	-1	3	193.202	1.197	10	30		ADEEHM
CC(C)(O)c1cc(C#N)c(O)cc1[O-]	258050473	573506856	/nfs/dbraw/zinc/50/68/56/573506856.db2.gz	KPUDOYXPLRBLOZ-UHFFFAOYSA-N	-1	3	193.202	1.197	10	30		ADEEHM
Cc1ccc([O-])c(S[C@H](C)C=O)n1	238425088	573522768	/nfs/dbraw/zinc/52/27/68/573522768.db2.gz	UXIIEAVWZDVUIJ-SSDOTTSWSA-N	-1	3	197.259	1.775	10	30		ADEEHM
C[C@@H]1CCC(=C[O-])C(=O)S1	238425682	573523901	/nfs/dbraw/zinc/52/39/01/573523901.db2.gz	SPCJHISNKNLGBS-YWSOBTQUSA-N	-1	3	158.222	1.870	10	30		ADEEHM
O=CCc1c([O-])ccc(F)c1Cl	107349336	573541971	/nfs/dbraw/zinc/54/19/71/573541971.db2.gz	YADNBYWFDIQNNP-UHFFFAOYSA-N	-1	3	188.585	1.926	10	30		ADEEHM
C=C(C)C[C@H]1CC(=O)C(C)=C1[O-]	238434463	573542212	/nfs/dbraw/zinc/54/22/12/573542212.db2.gz	QQXZYUPADLJBPK-YUMQZZPRSA-N	-1	3	166.220	1.747	10	30		ADEEHM
C=CCC[C@H]1CC(=O)C(C)=C1[O-]	238434491	573542392	/nfs/dbraw/zinc/54/23/92/573542392.db2.gz	KGEFMKMJHSJBAZ-YUMQZZPRSA-N	-1	3	166.220	1.747	10	30		ADEEHM
Cc1c(C#N)cc(O)c([O-])c1C	258056722	573542454	/nfs/dbraw/zinc/54/24/54/573542454.db2.gz	SDOIMQSJEIAPNJ-UHFFFAOYSA-N	-1	3	163.176	1.586	10	30		ADEEHM
COc1c([O-])ccc(C#N)c1SC	238435020	573544229	/nfs/dbraw/zinc/54/42/29/573544229.db2.gz	NJJVQFLVSLLHQU-UHFFFAOYSA-N	-1	3	195.243	1.994	10	30		ADEEHM
C[C@@H](/C=N/[O-])c1ccco1	238438655	573555885	/nfs/dbraw/zinc/55/58/85/573555885.db2.gz	YNLRNFCSNDVWCW-YTDSJMIDSA-N	-1	3	139.154	1.843	10	30		ADEEHM
COC1=CC(=O)c2c1ccc(O)c2[O-]	238444514	573575123	/nfs/dbraw/zinc/57/51/23/573575123.db2.gz	NXWCRRWKFSFTAK-UHFFFAOYSA-N	-1	3	192.170	1.281	10	30		ADEEHM
C=C(C)C[C@H]1C([O-])=CC(=O)[C@H]1C	238443129	573588771	/nfs/dbraw/zinc/58/87/71/573588771.db2.gz	MSQNJLPTUSOKEZ-JGVFFNPUSA-N	-1	3	166.220	1.747	10	30		ADEEHM
CCc1ccc(OC)c([O-])c1C#N	258066773	573588959	/nfs/dbraw/zinc/58/89/59/573588959.db2.gz	TWYSFXHQUQWRTG-UHFFFAOYSA-N	-1	3	177.203	1.835	10	30		ADEEHM
COc1c(CCC=O)ccc([O-])c1F	258070195	573616387	/nfs/dbraw/zinc/61/63/87/573616387.db2.gz	MEDGVVIRXRDDEO-UHFFFAOYSA-N	-1	3	198.193	1.671	10	30		ADEEHM
C[Si](C)(C)c1ccc(C#N)cc1[O-]	238452678	573621617	/nfs/dbraw/zinc/62/16/17/573621617.db2.gz	WGAWBPPQBQBTOB-UHFFFAOYSA-N	-1	3	191.306	1.809	10	30		ADEEHM
N#Cc1ccc2c(c1[O-])CCC2	258072655	573625806	/nfs/dbraw/zinc/62/58/06/573625806.db2.gz	UUAYUDAPVZLXSA-UHFFFAOYSA-N	-1	3	159.188	1.753	10	30		ADEEHM
C[C@@H](C=O)Cc1ccc([O-])c(F)c1	238460926	573634749	/nfs/dbraw/zinc/63/47/49/573634749.db2.gz	RZOONOHRGFWXIR-SSDOTTSWSA-N	-1	3	182.194	1.909	10	30		ADEEHM
C=C(C)C[C@@H]1C([O-])=CC(=O)[C@H]1C	238460547	573635990	/nfs/dbraw/zinc/63/59/90/573635990.db2.gz	MSQNJLPTUSOKEZ-YUMQZZPRSA-N	-1	3	166.220	1.747	10	30		ADEEHM
C[C@@H](C=O)Cc1ccc([O-])cc1F	238461102	573636396	/nfs/dbraw/zinc/63/63/96/573636396.db2.gz	RTRVJSSZNDTFGX-SSDOTTSWSA-N	-1	3	182.194	1.909	10	30		ADEEHM
C[C@@H](C=O)Cc1ccc([O-])c(C#N)c1	238460833	573637444	/nfs/dbraw/zinc/63/74/44/573637444.db2.gz	DHKNEYRZZWFUQB-MRVPVSSYSA-N	-1	3	189.214	1.641	10	30		ADEEHM
COc1cc(C#N)c([O-])c(C(C)=O)c1	238463543	573643518	/nfs/dbraw/zinc/64/35/18/573643518.db2.gz	JTZRNTALIVWBSR-UHFFFAOYSA-N	-1	3	191.186	1.475	10	30		ADEEHM
C[C@H]1CC(=O)C(O)=C([O-])C1	238466144	573648988	/nfs/dbraw/zinc/64/89/88/573648988.db2.gz	RAVMTTWOWXYCBN-BYPYZUCNSA-N	-1	3	142.154	1.313	10	30		ADEEHM
C[C@@H]1CC(=O)C(O)=C([O-])C1	238466144	573648997	/nfs/dbraw/zinc/64/89/97/573648997.db2.gz	RAVMTTWOWXYCBN-BYPYZUCNSA-N	-1	3	142.154	1.313	10	30		ADEEHM
C[C@H](CC#N)NCc1ccc([O-])cn1	308656487	573651619	/nfs/dbraw/zinc/65/16/19/573651619.db2.gz	OIHLAPONRBABPX-MRVPVSSYSA-N	-1	3	191.234	1.179	10	30		ADEEHM
C=CC[N-]C(=S)OCC(C)C	33753841	573652006	/nfs/dbraw/zinc/65/20/06/573652006.db2.gz	QZIXRDNEWUYYCY-UHFFFAOYSA-N	-1	3	173.281	1.720	10	30		ADEEHM
C[C@]1(CCC#N)CCC(=O)C=C1[O-]	238472034	573663172	/nfs/dbraw/zinc/66/31/72/573663172.db2.gz	UDXJSTISGWSYJT-JTQLQIEISA-N	-1	3	179.219	1.619	10	30		ADEEHM
C[C@]1(CCC#N)CCC([O-])=CC1=O	238472034	573663180	/nfs/dbraw/zinc/66/31/80/573663180.db2.gz	UDXJSTISGWSYJT-JTQLQIEISA-N	-1	3	179.219	1.619	10	30		ADEEHM
Cc1ccc([O-])c(S[C@@H](C)C=O)n1	238474798	573667191	/nfs/dbraw/zinc/66/71/91/573667191.db2.gz	UXIIEAVWZDVUIJ-ZETCQYMHSA-N	-1	3	197.259	1.775	10	30		ADEEHM
C=CCNCc1cc(C(=O)[O-])c(C)[nH]1	308529009	573690854	/nfs/dbraw/zinc/69/08/54/573690854.db2.gz	JPGCDLKQBVHOEU-UHFFFAOYSA-N	-1	3	194.234	1.297	10	30		ADEEHM
Cc1cc(C#N)cc(O)c1[O-]	238479653	573692216	/nfs/dbraw/zinc/69/22/16/573692216.db2.gz	CDDCMFAPTCQCGQ-UHFFFAOYSA-N	-1	3	149.149	1.278	10	30		ADEEHM
C=CCN(CC=C)C/C(C)=C\C(=O)[O-]	215686418	573703103	/nfs/dbraw/zinc/70/31/03/573703103.db2.gz	BZKYSHGDJTXTDV-NTMALXAHSA-N	-1	3	195.262	1.691	10	30		ADEEHM
CC[C@]1(C(=O)[O-])CCCN1CCC#N	215724669	573711232	/nfs/dbraw/zinc/71/12/32/573711232.db2.gz	ZORPHFRFUVNFJT-SNVBAGLBSA-N	-1	3	196.250	1.229	10	30		ADEEHM
CC[C@@]1(C(=O)[O-])CCCN1CCC#N	215724718	573713336	/nfs/dbraw/zinc/71/33/36/573713336.db2.gz	ZORPHFRFUVNFJT-JTQLQIEISA-N	-1	3	196.250	1.229	10	30		ADEEHM
[O-]N=Cc1ccc2c(c1)CCOC2	393554112	573713602	/nfs/dbraw/zinc/71/36/02/573713602.db2.gz	YOMBPULREZEIGV-UHFFFAOYSA-N	-1	3	177.203	1.567	10	30		ADEEHM
Cc1cccc(Nc2cc([O-])co2)n1	238493839	573718846	/nfs/dbraw/zinc/71/88/46/573718846.db2.gz	LDHWBINCUWWIDK-UHFFFAOYSA-N	-1	3	190.202	1.243	10	30		ADEEHM
CC#CCCC1=C([O-])CCC1=O	238028347	573719115	/nfs/dbraw/zinc/71/91/15/573719115.db2.gz	GMYMEGBBVRDSIO-UHFFFAOYSA-N	-1	3	164.204	1.338	10	30		ADEEHM
C[C@@H](C#CC1CCCC1)N([O-])C(N)=O	143007829	573724201	/nfs/dbraw/zinc/72/42/01/573724201.db2.gz	FZRIJZBPBXBZHD-QMMMGPOBSA-N	-1	3	196.250	1.338	10	30		ADEEHM
COCc1ccc(/C=N/[O-])cc1	83969924	573725316	/nfs/dbraw/zinc/72/53/16/573725316.db2.gz	HBNGTTFDSRTGMO-UXBLZVDNSA-N	-1	3	165.192	1.641	10	30		ADEEHM
N#CCc1cc(O)c(F)cc1[O-]	258111909	573730865	/nfs/dbraw/zinc/73/08/65/573730865.db2.gz	YZITTYZLLNKDMQ-UHFFFAOYSA-N	-1	3	167.139	1.303	10	30		ADEEHM
N#CCc1cc([O-])c(F)cc1O	258111909	573730870	/nfs/dbraw/zinc/73/08/70/573730870.db2.gz	YZITTYZLLNKDMQ-UHFFFAOYSA-N	-1	3	167.139	1.303	10	30		ADEEHM
COc1c(F)cc(C#N)c(C)c1[O-]	258114970	573735245	/nfs/dbraw/zinc/73/52/45/573735245.db2.gz	ZLKKMIBVLLGCLP-UHFFFAOYSA-N	-1	3	181.166	1.720	10	30		ADEEHM
C=C(C)C(=O)[N-]C(=O)OC1CCCC1	238061987	573745430	/nfs/dbraw/zinc/74/54/30/573745430.db2.gz	QNLQUQRSJCVGOT-UHFFFAOYSA-N	-1	3	197.234	1.758	10	30		ADEEHM
C=CCCc1oc(=O)ccc1[O-]	238061495	573745459	/nfs/dbraw/zinc/74/54/59/573745459.db2.gz	KJKKWRBNZKCGMC-QMMMGPOBSA-N	-1	3	166.176	1.003	10	30		ADEEHM
Cc1cc(/C=N\[O-])cc(C)c1O	100131469	573774247	/nfs/dbraw/zinc/77/42/47/573774247.db2.gz	JLTKKUAUWZPQSQ-YHYXMXQVSA-N	-1	3	165.192	1.817	10	30		ADEEHM
N#CCc1c(O)c(O)cc([O-])c1Cl	258126825	573774859	/nfs/dbraw/zinc/77/48/59/573774859.db2.gz	MRQONSLQTMEMPD-UHFFFAOYSA-N	-1	3	199.593	1.523	10	30		ADEEHM
Cc1cc([C@@H](C)CO)cc(C#N)c1[O-]	258118616	573776919	/nfs/dbraw/zinc/77/69/19/573776919.db2.gz	QICKVGUOATWKGN-QMMMGPOBSA-N	-1	3	191.230	1.668	10	30		ADEEHM
N#Cc1ccc(Cl)c(O)c1[O-]	258118002	573778698	/nfs/dbraw/zinc/77/86/98/573778698.db2.gz	ZTJYZFCGEMMEEK-UHFFFAOYSA-N	-1	3	169.567	1.623	10	30		ADEEHM
CC(C)(C)OC1=C([O-])CCC1=O	238111069	573781780	/nfs/dbraw/zinc/78/17/80/573781780.db2.gz	VGSXKGPRHNAPSJ-UHFFFAOYSA-N	-1	3	170.208	1.934	10	30		ADEEHM
Cc1[n-]n(CCC#N)c(=O)c1C(C)C	108373716	573781887	/nfs/dbraw/zinc/78/18/87/573781887.db2.gz	FADJLMYWYMTRKG-SECBINFHSA-N	-1	3	193.250	1.390	10	30		ADEEHM
Cc1[n-]n(CCC#N)c(=O)c1C(C)C	108373720	573783627	/nfs/dbraw/zinc/78/36/27/573783627.db2.gz	FADJLMYWYMTRKG-VIFPVBQESA-N	-1	3	193.250	1.390	10	30		ADEEHM
C=C[C@@H](CC)OC(=O)c1cn[n-]c1	308431673	573786585	/nfs/dbraw/zinc/78/65/85/573786585.db2.gz	UIDLMBCTGMNYRA-QMMMGPOBSA-N	-1	3	180.207	1.531	10	30		ADEEHM
Cc1nc(CCC#N)c(C)c(=O)[n-]1	259568465	573786681	/nfs/dbraw/zinc/78/66/81/573786681.db2.gz	DBRWTVKSOZGXMX-UHFFFAOYSA-N	-1	3	177.207	1.255	10	30		ADEEHM
C=C(C)C[C@H]1CC(=O)C=C1[O-]	238103233	573792087	/nfs/dbraw/zinc/79/20/87/573792087.db2.gz	FQXPEQBPDTVYGK-ZETCQYMHSA-N	-1	3	152.193	1.501	10	30		ADEEHM
CC1=CC(C)(C)N[C@@H]([S-])N1	100294159	573792094	/nfs/dbraw/zinc/79/20/94/573792094.db2.gz	SECXYQHQEBKIEE-LURJTMIESA-N	-1	3	158.270	1.075	10	30		ADEEHM
CC1=CC(C)(C)N[C@H]([S-])N1	100294158	573793437	/nfs/dbraw/zinc/79/34/37/573793437.db2.gz	SECXYQHQEBKIEE-ZCFIWIBFSA-N	-1	3	158.270	1.075	10	30		ADEEHM
C#C[C@@H](CC)NC/C=C(\CC)C(=O)[O-]	308440356	573793572	/nfs/dbraw/zinc/79/35/72/573793572.db2.gz	DWJSFDKIDAJSQJ-PCYYEKQGSA-N	-1	3	195.262	1.409	10	30		ADEEHM
Cc1cccc2c(C#N)c(=O)[n-]c-2c1	238528155	573803642	/nfs/dbraw/zinc/80/36/42/573803642.db2.gz	SKNRHZOZZGYJGR-UHFFFAOYSA-N	-1	3	184.198	1.660	10	30		ADEEHM
C=CCC(=O)[N-]C(F)(F)F	238515616	573805822	/nfs/dbraw/zinc/80/58/22/573805822.db2.gz	LXIBNOHLKITTTK-UHFFFAOYSA-N	-1	3	153.103	1.199	10	30		ADEEHM
CCC(=NN)c1cc(F)ccc1[O-]	394321279	573806049	/nfs/dbraw/zinc/80/60/49/573806049.db2.gz	HFTDHXHFJPCKKX-UHFFFAOYSA-N	-1	3	182.198	1.604	10	30		ADEEHM
C[C@@H](C#N)c1ccc(-c2nnn[n-]2)cc1	214968409	573806409	/nfs/dbraw/zinc/80/64/09/573806409.db2.gz	QMGFHKHCNBHICM-ZETCQYMHSA-N	-1	3	199.217	1.494	10	30		ADEEHM
C[C@@H](C#N)c1ccc(-c2nn[n-]n2)cc1	214968409	573806414	/nfs/dbraw/zinc/80/64/14/573806414.db2.gz	QMGFHKHCNBHICM-ZETCQYMHSA-N	-1	3	199.217	1.494	10	30		ADEEHM
CC(=O)C1=C([O-])C(Cl)=CC1=O	238123806	573812049	/nfs/dbraw/zinc/81/20/49/573812049.db2.gz	KJLXTEHTNGFRAD-UHFFFAOYSA-N	-1	3	172.567	1.093	10	30		ADEEHM
CC([O-])=C1C(=O)C=C(Cl)C1=O	238123806	573812055	/nfs/dbraw/zinc/81/20/55/573812055.db2.gz	KJLXTEHTNGFRAD-UHFFFAOYSA-N	-1	3	172.567	1.093	10	30		ADEEHM
CC(=O)C1=C([O-])C=C(Cl)C1=O	238123806	573812061	/nfs/dbraw/zinc/81/20/61/573812061.db2.gz	KJLXTEHTNGFRAD-UHFFFAOYSA-N	-1	3	172.567	1.093	10	30		ADEEHM
C/C(=N\[O-])[C@@H](O)CC(C)C	238140398	573825920	/nfs/dbraw/zinc/82/59/20/573825920.db2.gz	UOHGZRYOMSBSAM-DGUDBNDOSA-N	-1	3	145.202	1.244	10	30		ADEEHM
Cc1c([O-])cc(C#N)c(C)c1C#N	238536669	573844269	/nfs/dbraw/zinc/84/42/69/573844269.db2.gz	KBCRIRCBYLHVBT-UHFFFAOYSA-N	-1	3	172.187	1.752	10	30		ADEEHM
C/C(=N\[O-])[C@H](O)CC(C)C	238150449	573849059	/nfs/dbraw/zinc/84/90/59/573849059.db2.gz	UOHGZRYOMSBSAM-UQBZRGDZSA-N	-1	3	145.202	1.244	10	30		ADEEHM
N#Cc1cc2c(cc1[O-])OCCCO2	258155457	573853327	/nfs/dbraw/zinc/85/33/27/573853327.db2.gz	UNWMPYKRYPYNIS-UHFFFAOYSA-N	-1	3	191.186	1.425	10	30		ADEEHM
N#Cc1csc([C@@H](N)CC(=O)[O-])c1	306451236	573857623	/nfs/dbraw/zinc/85/76/23/573857623.db2.gz	BXDSVXBCKAEESM-LURJTMIESA-N	-1	3	196.231	1.094	10	30		ADEEHM
C[C@@H]1CCc2c[n-]c(=O)c(C#N)c21	306452556	573857725	/nfs/dbraw/zinc/85/77/25/573857725.db2.gz	HNLIMPPDCDEXBA-ZCFIWIBFSA-N	-1	3	174.203	1.709	10	30		ADEEHM
C[C@H]1CCc2c[n-]c(=O)c(C#N)c21	306452555	573858426	/nfs/dbraw/zinc/85/84/26/573858426.db2.gz	HNLIMPPDCDEXBA-LURJTMIESA-N	-1	3	174.203	1.709	10	30		ADEEHM
CC1(C)C=CC(=O)C=C1[O-]	238171591	573864301	/nfs/dbraw/zinc/86/43/01/573864301.db2.gz	BYGXOHPMFHMEHY-UHFFFAOYSA-N	-1	3	138.166	1.593	10	30		ADEEHM
CC1(C)C=CC([O-])=CC1=O	238171591	573864307	/nfs/dbraw/zinc/86/43/07/573864307.db2.gz	BYGXOHPMFHMEHY-UHFFFAOYSA-N	-1	3	138.166	1.593	10	30		ADEEHM
CCc1oc2c(=O)cc[n-]c2c1C#N	259216765	573872942	/nfs/dbraw/zinc/87/29/42/573872942.db2.gz	AWWRSKVGSLLHRH-UHFFFAOYSA-N	-1	3	188.186	1.967	10	30		ADEEHM
CCC#CC[C@@H]1CCC(=O)C=C1[O-]	238175818	573877550	/nfs/dbraw/zinc/87/75/50/573877550.db2.gz	CRTZDOPARRMDEA-SECBINFHSA-N	-1	3	178.231	1.728	10	30		ADEEHM
CCC#CC[C@@H]1CCC([O-])=CC1=O	238175818	573877555	/nfs/dbraw/zinc/87/75/55/573877555.db2.gz	CRTZDOPARRMDEA-SECBINFHSA-N	-1	3	178.231	1.728	10	30		ADEEHM
N#Cc1sccc1[C@@H](N)CC(=O)[O-]	306349485	573881009	/nfs/dbraw/zinc/88/10/09/573881009.db2.gz	VAOUZXONGORDTE-LURJTMIESA-N	-1	3	196.231	1.094	10	30		ADEEHM
N/C(=N\[O-])c1cc2ccc(F)cc2o1	144904500	573885385	/nfs/dbraw/zinc/88/53/85/573885385.db2.gz	NFGZFDMCAVOHBA-UHFFFAOYSA-N	-1	3	194.165	1.666	10	30		ADEEHM
N#Cc1cc2c([O-])coc2cc1Cl	238554683	573885765	/nfs/dbraw/zinc/88/57/65/573885765.db2.gz	GRTBSLSZFCXDCO-UHFFFAOYSA-N	-1	3	193.589	1.787	10	30		ADEEHM
C#CCC(=O)Nc1ccc(C)cc1[O-]	235783483	573906577	/nfs/dbraw/zinc/90/65/77/573906577.db2.gz	GGHNTZSCQBHRHV-UHFFFAOYSA-N	-1	3	189.214	1.662	10	30		ADEEHM
CC1(C)O[C@@H]1C1=C([O-])CCC1=O	238183752	573911038	/nfs/dbraw/zinc/91/10/38/573911038.db2.gz	VFDGZNZMAOWCPL-MRVPVSSYSA-N	-1	3	168.192	1.339	10	30		ADEEHM
CC(=O)Cc1cc([O-])cc(C#N)c1	306821289	573932422	/nfs/dbraw/zinc/93/24/22/573932422.db2.gz	OEJQIXCZPHMEIY-UHFFFAOYSA-N	-1	3	175.187	1.395	10	30		ADEEHM
CC1=C2C(=O)C=CC([O-])=C2C1C	238200687	573940399	/nfs/dbraw/zinc/94/03/99/573940399.db2.gz	IAHYLNGQHJTCKI-UWVGGRQHSA-N	-1	3	162.188	1.277	10	30		ADEEHM
CC1=C2C(=O)C=CC([O-])=C2C1C	238203056	573943042	/nfs/dbraw/zinc/94/30/42/573943042.db2.gz	IAHYLNGQHJTCKI-NXEZZACHSA-N	-1	3	162.188	1.277	10	30		ADEEHM
Cc1cc(C#N)c([O-])c(O)c1C	257907155	573945065	/nfs/dbraw/zinc/94/50/65/573945065.db2.gz	ABUSMVCTLVWANO-UHFFFAOYSA-N	-1	3	163.176	1.586	10	30		ADEEHM
C=CC#CC=C1C([O-])=CC(=O)C1C	238206125	573947186	/nfs/dbraw/zinc/94/71/86/573947186.db2.gz	TVDACZVAOUTLOY-UHFFFAOYSA-N	-1	3	174.199	1.424	10	30		ADEEHM
Cc1cc(C2(O)CC2)cc(C#N)c1[O-]	258186809	573951121	/nfs/dbraw/zinc/95/11/21/573951121.db2.gz	WZARUCXKOXAPSQ-UHFFFAOYSA-N	-1	3	189.214	1.554	10	30		ADEEHM
CN([O-])C(=O)c1cccc([N+](=O)[O-])c1	247964609	573967544	/nfs/dbraw/zinc/96/75/44/573967544.db2.gz	RSGUFQDMSNXHNK-UHFFFAOYSA-N	-1	3	196.162	1.056	10	30		ADEEHM
CC(C)N(CCC#N)C[C@H](C)C(=O)[O-]	42529511	573967680	/nfs/dbraw/zinc/96/76/80/573967680.db2.gz	OZBFWZDPUDLFCB-VIFPVBQESA-N	-1	3	198.266	1.331	10	30		ADEEHM
CC(C)N(CCC#N)[C@H](C)C(=O)[O-]	42529418	573967702	/nfs/dbraw/zinc/96/77/02/573967702.db2.gz	WHEONFQZPINZIV-MRVPVSSYSA-N	-1	3	184.239	1.084	10	30		ADEEHM
N#Cc1cnc2c3ccccc3cc-2[n-]1	116458787	573972778	/nfs/dbraw/zinc/97/27/78/573972778.db2.gz	KTWOENWOHJATMF-UHFFFAOYSA-N	-1	3	193.209	1.919	10	30		ADEEHM
C[C@H](CC=O)c1c(F)ccc(O)c1[O-]	258194466	573972829	/nfs/dbraw/zinc/97/28/29/573972829.db2.gz	XUPNLRMKNNKQSO-ZCFIWIBFSA-N	-1	3	198.193	1.929	10	30		ADEEHM
[O-]c1ccc(/C=N/O)c(F)c1	104394830	573975178	/nfs/dbraw/zinc/97/51/78/573975178.db2.gz	VHEDZXHFMYOPBT-RUDMXATFSA-N	-1	3	155.128	1.339	10	30		ADEEHM
Cc1nn(C)c(C)c1C([O-])=CC=O	110898887	573983879	/nfs/dbraw/zinc/98/38/79/573983879.db2.gz	AWPXXFFISKTSQP-SNAWJCMRSA-N	-1	3	180.207	1.291	10	30		ADEEHM
Cc1nn(C)c(C)c1C(=O)C=C[O-]	110898887	573983882	/nfs/dbraw/zinc/98/38/82/573983882.db2.gz	AWPXXFFISKTSQP-SNAWJCMRSA-N	-1	3	180.207	1.291	10	30		ADEEHM
O=CC=C([O-])c1cccnc1	110898746	573983685	/nfs/dbraw/zinc/98/36/85/573983685.db2.gz	QFJOBVBSIJZOLZ-HWKANZROSA-N	-1	3	149.149	1.336	10	30		ADEEHM
O=C(C=C[O-])c1cccnc1	110898746	573983690	/nfs/dbraw/zinc/98/36/90/573983690.db2.gz	QFJOBVBSIJZOLZ-HWKANZROSA-N	-1	3	149.149	1.336	10	30		ADEEHM
CC1=C([O-])C=C(Cl)[C@@H](C)C1=O	104458024	573986642	/nfs/dbraw/zinc/98/66/42/573986642.db2.gz	RZKHEXOIYVUEJU-UHNVWZDZSA-N	-1	3	172.611	1.533	10	30		ADEEHM
COc1ccc(Cl)c(C#N)c1[O-]	258196490	573987180	/nfs/dbraw/zinc/98/71/80/573987180.db2.gz	XXQWBQUGEJPFQW-UHFFFAOYSA-N	-1	3	183.594	1.926	10	30		ADEEHM
Cc1cccc2c1CC(C#N)=C2[O-]	104459548	573987620	/nfs/dbraw/zinc/98/76/20/573987620.db2.gz	DNRJNMLRRDOOKQ-QMMMGPOBSA-N	-1	3	171.199	1.874	10	30		ADEEHM
O=C[C@H](F)c1ccccc1[O-]	104468018	573990726	/nfs/dbraw/zinc/99/07/26/573990726.db2.gz	AYLNQZQYJDYRLP-ZETCQYMHSA-N	-1	3	154.140	1.602	10	30		ADEEHM
CC1=CCCC(C#N)=C1[O-]	238232629	573990758	/nfs/dbraw/zinc/99/07/58/573990758.db2.gz	GVSJYNBERYZCOO-SSDOTTSWSA-N	-1	3	135.166	1.435	10	30		ADEEHM
CC(C)(C)C(=O)C(F)=C[O-]	104465182	573993105	/nfs/dbraw/zinc/99/31/05/573993105.db2.gz	OLBSYGVCRBASRQ-YFKPBYRVSA-N	-1	3	146.161	1.139	10	30		ADEEHM
CC(C)(C)C([O-])=C(F)C=O	104465182	573993108	/nfs/dbraw/zinc/99/31/08/573993108.db2.gz	OLBSYGVCRBASRQ-YFKPBYRVSA-N	-1	3	146.161	1.139	10	30		ADEEHM
O=C[C@@H](F)c1ccccc1[O-]	104468016	573993405	/nfs/dbraw/zinc/99/34/05/573993405.db2.gz	AYLNQZQYJDYRLP-SSDOTTSWSA-N	-1	3	154.140	1.602	10	30		ADEEHM
CC(C)[C@H]1CCC(=C[O-])C(=O)O1	238234917	573994602	/nfs/dbraw/zinc/99/46/02/573994602.db2.gz	STOUWKZXMSKXEZ-JGVFFNPUSA-N	-1	3	170.208	1.163	10	30		ADEEHM
C#Cc1nc(CC)ccc1[O-]	209771073	574002668	/nfs/dbraw/zinc/00/26/68/574002668.db2.gz	AXNBFAHOBMADOY-UHFFFAOYSA-N	-1	3	147.177	1.331	10	30		ADEEHM
C#Cc1cnc(CC)c([O-])c1	209771953	574003823	/nfs/dbraw/zinc/00/38/23/574003823.db2.gz	NUSLMLRGNSIUKD-UHFFFAOYSA-N	-1	3	147.177	1.331	10	30		ADEEHM
CCCCC[N-]C(=S)C#N	238247230	574009218	/nfs/dbraw/zinc/00/92/18/574009218.db2.gz	NXWXGWZDNXRLPA-UHFFFAOYSA-N	-1	3	156.254	1.617	10	30		ADEEHM
N#CC[C@@H](N)c1ccc(=O)[n-]c1Cl	104496349	574011926	/nfs/dbraw/zinc/01/19/26/574011926.db2.gz	GCXBPEMNBQLSQF-ZCFIWIBFSA-N	-1	3	197.625	1.354	10	30		ADEEHM
N#CC[C@H](N)c1ccc(=O)[n-]c1Cl	104496352	574012834	/nfs/dbraw/zinc/01/28/34/574012834.db2.gz	GCXBPEMNBQLSQF-LURJTMIESA-N	-1	3	197.625	1.354	10	30		ADEEHM
N#CC[C@@H](N)c1cc([O-])cc(F)c1	104510806	574021811	/nfs/dbraw/zinc/02/18/11/574021811.db2.gz	FURJZMFJOKNRGN-SECBINFHSA-N	-1	3	180.182	1.445	10	30		ADEEHM
N#CC[C@@H](N)c1cc(F)cc(F)c1[O-]	104521667	574024906	/nfs/dbraw/zinc/02/49/06/574024906.db2.gz	UOFCIKSJHRCEHZ-MRVPVSSYSA-N	-1	3	198.172	1.584	10	30		ADEEHM
N#CC[C@@H](N)c1c([O-])cccc1Cl	104517007	574025126	/nfs/dbraw/zinc/02/51/26/574025126.db2.gz	GQDUASILNSNFPN-SSDOTTSWSA-N	-1	3	196.637	1.959	10	30		ADEEHM
CCCCN([O-])C(=O)[C@H]1C[C@@H]1F	1161833108	760823599	/nfs/dbraw/zinc/82/35/99/760823599.db2.gz	ZYOAXRYAZMFIRW-BQBZGAKWSA-N	-1	3	175.203	1.362	10	30		ADEEHM
CCCCN([O-])C(=O)[C@H]1C[C@H]1F	1161833111	760823722	/nfs/dbraw/zinc/82/37/22/760823722.db2.gz	ZYOAXRYAZMFIRW-NKWVEPMBSA-N	-1	3	175.203	1.362	10	30		ADEEHM
CCCCN([O-])C(=O)[C@@H]1C[C@H]1F	1161833112	760824156	/nfs/dbraw/zinc/82/41/56/760824156.db2.gz	ZYOAXRYAZMFIRW-RNFRBKRXSA-N	-1	3	175.203	1.362	10	30		ADEEHM
CCCCN([O-])C(=O)[C@@H]1C[C@@H]1F	1161833114	760825115	/nfs/dbraw/zinc/82/51/15/760825115.db2.gz	ZYOAXRYAZMFIRW-RQJHMYQMSA-N	-1	3	175.203	1.362	10	30		ADEEHM
C#CCc1ccc([O-])c(F)c1	1249946050	765398253	/nfs/dbraw/zinc/39/82/53/765398253.db2.gz	DMAPGAJBZVVVPM-UHFFFAOYSA-N	-1	3	150.152	1.707	10	30		ADEEHM
C#CCc1cccc(F)c1[O-]	1249949834	765409593	/nfs/dbraw/zinc/40/95/93/765409593.db2.gz	STGPLFLUFXQLQA-UHFFFAOYSA-N	-1	3	150.152	1.707	10	30		ADEEHM
CCC(F)(F)C(=O)[N-][C@H](C)C#N	701323867	673979341	/nfs/dbraw/zinc/97/93/41/673979341.db2.gz	UCVFVMFUZVZISK-RXMQYKEDSA-N	-1	3	176.166	1.060	10	30		ADEEHM
Cn1[n-]ccc1=NN=C1CCC1(C)C	789050274	674010126	/nfs/dbraw/zinc/01/01/26/674010126.db2.gz	DEKXELHITCDAIM-UHFFFAOYSA-N	-1	3	192.266	1.430	10	30		ADEEHM
C#CCO[N-]C(=O)[C@@]1(C)C[C@@H]2C[C@@H]2C1	855606965	674039538	/nfs/dbraw/zinc/03/95/38/674039538.db2.gz	TVNNJBWFEVNUGD-DOFRTFSJSA-N	-1	3	193.246	1.104	10	30		ADEEHM
N#CCCc1cccc(F)c1[O-]	260398375	1169447428	/nfs/dbraw/zinc/44/74/28/1169447428.db2.gz	KSJXAMRLBBULMZ-UHFFFAOYSA-N	-1	3	165.167	1.987	10	30		ADEEHM
N#Cc1ncncc1-c1ccccc1[O-]	260788552	1169451234	/nfs/dbraw/zinc/45/12/34/1169451234.db2.gz	UFDDHYHNNROSLZ-UHFFFAOYSA-N	-1	3	197.197	1.721	10	30		ADEEHM
N#CCCc1c([O-])cccc1F	261115202	1169454960	/nfs/dbraw/zinc/45/49/60/1169454960.db2.gz	GZTOFPFEDOZOQS-UHFFFAOYSA-N	-1	3	165.167	1.987	10	30		ADEEHM
N#Cc1nccc(-c2ccccc2[O-])n1	261163012	1169455256	/nfs/dbraw/zinc/45/52/56/1169455256.db2.gz	WRGMHQYQPPKFLG-UHFFFAOYSA-N	-1	3	197.197	1.721	10	30		ADEEHM
C=CCN(C)Cc1ncccc1[O-]	381946999	1169598744	/nfs/dbraw/zinc/59/87/44/1169598744.db2.gz	ZDRXWSYXJOCXDZ-UHFFFAOYSA-N	-1	3	178.235	1.405	10	30		ADEEHM
C#CCNC(=O)c1c(C)cccc1[O-]	606260965	1169692336	/nfs/dbraw/zinc/69/23/36/1169692336.db2.gz	FQQOZQUCKXWQQB-UHFFFAOYSA-N	-1	3	189.214	1.064	10	30		ADEEHM
COC(=O)C#Cc1c([O-])cccc1F	675079173	566310988	/nfs/dbraw/zinc/31/09/88/566310988.db2.gz	QRAZGCDRPOJCBM-UHFFFAOYSA-N	-1	3	194.161	1.056	10	30		ADEEHM
CC(C)(C)O[N-]C(=O)CCCCC#N	1329933330	1170274199	/nfs/dbraw/zinc/27/41/99/1170274199.db2.gz	LEEKZDGSRPTFOI-UHFFFAOYSA-N	-1	3	198.266	1.917	10	30		ADEEHM
C=C(C)CCC(=O)[N-]OCCC	1336535449	1170374438	/nfs/dbraw/zinc/37/44/38/1170374438.db2.gz	FZHAVSIVQRQSCC-UHFFFAOYSA-N	-1	3	171.240	1.801	10	30		ADEEHM
C=CCCCC(=O)[N-]OC(C)C	1344389453	1170464834	/nfs/dbraw/zinc/46/48/34/1170464834.db2.gz	DWVRUCXKJLKMGI-UHFFFAOYSA-N	-1	3	171.240	1.799	10	30		ADEEHM
C=CCO[N-]C(=O)Cc1ccsc1	1449651042	1170568538	/nfs/dbraw/zinc/56/85/38/1170568538.db2.gz	BZPZSGXIHBYJQF-UHFFFAOYSA-N	-1	3	197.259	1.524	10	30		ADEEHM
C=CCO[N-]C(=O)/C=C\c1ccco1	1449656521	1170569299	/nfs/dbraw/zinc/56/92/99/1170569299.db2.gz	MOWFNXYTORAOKE-WAYWQWQTSA-N	-1	3	193.202	1.527	10	30		ADEEHM
C=CCO[N-]C(=O)Cc1ccoc1	1449654092	1170569373	/nfs/dbraw/zinc/56/93/73/1170569373.db2.gz	HPYYVXVWHXAXCO-UHFFFAOYSA-N	-1	3	181.191	1.056	10	30		ADEEHM
C=CCO[N-]C(=O)/C=C/c1ccco1	1449656493	1170570397	/nfs/dbraw/zinc/57/03/97/1170570397.db2.gz	MOWFNXYTORAOKE-AATRIKPKSA-N	-1	3	193.202	1.527	10	30		ADEEHM
C#CC(=O)Nc1c([O-])cccc1Cl	1457829543	1170574002	/nfs/dbraw/zinc/57/40/02/1170574002.db2.gz	KKEHSCRUCWPHNR-UHFFFAOYSA-N	-1	3	195.605	1.617	10	30		ADEEHM
N#C[C@H]1C[C@H]1C(=O)[N-]OC1CCCC1	1466410370	1170588762	/nfs/dbraw/zinc/58/87/62/1170588762.db2.gz	FCJRFOTZYAGOKU-VXNVDRBHSA-N	-1	3	194.234	1.136	10	30		ADEEHM
C=C(CC)C(=O)Nc1ncccc1[O-]	1556164842	1170650753	/nfs/dbraw/zinc/65/07/53/1170650753.db2.gz	RMWSNVYQYKLLCP-UHFFFAOYSA-N	-1	3	192.218	1.692	10	30		ADEEHM
C=CCO[N-]C(=O)C[C@H]1CCCOC1	1627703496	1170838395	/nfs/dbraw/zinc/83/83/95/1170838395.db2.gz	CEMAFIODERHNPU-SECBINFHSA-N	-1	3	199.250	1.037	10	30		ADEEHM
C=CCO[N-]C(=O)C[C@@H]1CCCOC1	1627703497	1170838547	/nfs/dbraw/zinc/83/85/47/1170838547.db2.gz	CEMAFIODERHNPU-VIFPVBQESA-N	-1	3	199.250	1.037	10	30		ADEEHM
CC(C)O[N-]C(=O)CCCC#N	1628582435	1170843963	/nfs/dbraw/zinc/84/39/63/1170843963.db2.gz	IPPITZCMFMJBFI-UHFFFAOYSA-N	-1	3	170.212	1.136	10	30		ADEEHM
C=CCO[N-]C(=O)CCC(F)F	1635645256	1170849354	/nfs/dbraw/zinc/84/93/54/1170849354.db2.gz	BAGFFXVQNIKWQL-UHFFFAOYSA-N	-1	3	179.166	1.266	10	30		ADEEHM
N#Cc1nsc2cc([O-])ccc12	250033311	571694972	/nfs/dbraw/zinc/69/49/72/571694972.db2.gz	RXRCZDNBHPBZOK-UHFFFAOYSA-N	-1	3	176.200	1.874	10	30		ADEEHM
CC[C@H](CC#N)N[C@H](C)CCC(=O)[O-]	70633580	571708901	/nfs/dbraw/zinc/70/89/01/571708901.db2.gz	QNMFHJDDRKEUKG-RKDXNWHRSA-N	-1	3	198.266	1.522	10	30		ADEEHM
CC[C@@H](CC#N)N[C@@H](C)CCC(=O)[O-]	70633577	571709836	/nfs/dbraw/zinc/70/98/36/571709836.db2.gz	QNMFHJDDRKEUKG-IUCAKERBSA-N	-1	3	198.266	1.522	10	30		ADEEHM
CC[C@H](CC#N)N[C@@H](C)CCC(=O)[O-]	70633578	571710615	/nfs/dbraw/zinc/71/06/15/571710615.db2.gz	QNMFHJDDRKEUKG-DTWKUNHWSA-N	-1	3	198.266	1.522	10	30		ADEEHM
CC[C@@H](CC#N)N[C@H](C)CCC(=O)[O-]	70633579	571710935	/nfs/dbraw/zinc/71/09/35/571710935.db2.gz	QNMFHJDDRKEUKG-BDAKNGLRSA-N	-1	3	198.266	1.522	10	30		ADEEHM
N#Cc1cc(C2(O)CC2)ccc1[O-]	214100057	571715194	/nfs/dbraw/zinc/71/51/94/571715194.db2.gz	NJRGFXUFZOVBDB-UHFFFAOYSA-N	-1	3	175.187	1.245	10	30		ADEEHM
C#Cc1cc([O-])cc(C=O)c1	116688943	571720607	/nfs/dbraw/zinc/72/06/07/571720607.db2.gz	PKGBFIKVKOITDL-UHFFFAOYSA-N	-1	3	146.145	1.186	10	30		ADEEHM
Cc1cccc(/C=N/[O-])c1F	116749220	571726505	/nfs/dbraw/zinc/72/65/05/571726505.db2.gz	PBBIWLSULOMDJV-BJMVGYQFSA-N	-1	3	153.156	1.942	10	30		ADEEHM
CN(O)Cc1ccc([O-])c(C#N)c1	214174102	571726907	/nfs/dbraw/zinc/72/69/07/571726907.db2.gz	QAXJPBUSJPWWOK-UHFFFAOYSA-N	-1	3	178.191	1.085	10	30		ADEEHM
CCC(C#N)=C([O-])c1cncs1	233836437	571734727	/nfs/dbraw/zinc/73/47/27/571734727.db2.gz	PBZQSJAFCKSETL-LURJTMIESA-N	-1	3	180.232	1.876	10	30		ADEEHM
CCC(C#N)=C([O-])c1cn(C)cn1	233836401	571735392	/nfs/dbraw/zinc/73/53/92/571735392.db2.gz	ZRKDSWMUXSDQTI-ZETCQYMHSA-N	-1	3	177.207	1.153	10	30		ADEEHM
C=CCc1ccc(C#N)cc1[O-]	196072063	571743614	/nfs/dbraw/zinc/74/36/14/571743614.db2.gz	NXYSYHFRWMOMEG-UHFFFAOYSA-N	-1	3	159.188	1.992	10	30		ADEEHM
C[C@@]1(O)C=CC(=O)c2c([O-])cccc21	138839335	571750512	/nfs/dbraw/zinc/75/05/12/571750512.db2.gz	YXRNAZLBQXHNLH-LLVKDONJSA-N	-1	3	190.198	1.352	10	30		ADEEHM
C#CCN[C@]1(C(=O)[O-])CC[C@H](CC)C1	70764107	571753242	/nfs/dbraw/zinc/75/32/42/571753242.db2.gz	BEAIRMZNSZHVKD-GXSJLCMTSA-N	-1	3	195.262	1.243	10	30		ADEEHM
C[C@]1(O)C=CC(=O)c2c([O-])cccc21	138839222	571752485	/nfs/dbraw/zinc/75/24/85/571752485.db2.gz	YXRNAZLBQXHNLH-NSHDSACASA-N	-1	3	190.198	1.352	10	30		ADEEHM
C#CCN[C@@]1(C(=O)[O-])CC[C@@H](CC)C1	70764108	571752585	/nfs/dbraw/zinc/75/25/85/571752585.db2.gz	BEAIRMZNSZHVKD-KOLCDFICSA-N	-1	3	195.262	1.243	10	30		ADEEHM
C#CCN[C@@]1(C(=O)[O-])CC[C@H](CC)C1	70764109	571754071	/nfs/dbraw/zinc/75/40/71/571754071.db2.gz	BEAIRMZNSZHVKD-ONGXEEELSA-N	-1	3	195.262	1.243	10	30		ADEEHM
N#CCc1n[nH]c2cccc([O-])c12	250095086	571755766	/nfs/dbraw/zinc/75/57/66/571755766.db2.gz	BUSPDZWZYCGPSU-UHFFFAOYSA-N	-1	3	173.175	1.335	10	30		ADEEHM
N#CCCc1[nH]nc2cccc([O-])c12	250099922	571756270	/nfs/dbraw/zinc/75/62/70/571756270.db2.gz	FRKIHQXWGJOXLK-UHFFFAOYSA-N	-1	3	187.202	1.725	10	30		ADEEHM
C=CC[C@@H]1C([O-])=CC(=O)[C@@H]1C	205112986	571756863	/nfs/dbraw/zinc/75/68/63/571756863.db2.gz	FZUBIJJIBRMUED-RQJHMYQMSA-N	-1	3	152.193	1.839	10	30		ADEEHM
C=CC[C@H]1C([O-])=CC(=O)[C@H]1C	205113030	571758112	/nfs/dbraw/zinc/75/81/12/571758112.db2.gz	FZUBIJJIBRMUED-NKWVEPMBSA-N	-1	3	152.193	1.839	10	30		ADEEHM
C=C(Cl)CN[C@H]1CC[C@@H]1C(=O)[O-]	236450017	571758212	/nfs/dbraw/zinc/75/82/12/571758212.db2.gz	KODHMPIRVUXRSZ-BQBZGAKWSA-N	-1	3	189.642	1.192	10	30		ADEEHM
C=CC[C@H]1C([O-])=CC(=O)[C@@H]1C	205113014	571758938	/nfs/dbraw/zinc/75/89/38/571758938.db2.gz	FZUBIJJIBRMUED-RNFRBKRXSA-N	-1	3	152.193	1.839	10	30		ADEEHM
Cn1[n-]ccc1=NN=CC(C)(C)C	379360460	571760963	/nfs/dbraw/zinc/76/09/63/571760963.db2.gz	CCHPXCPXAQHPBZ-UHFFFAOYSA-N	-1	3	180.255	1.286	10	30		ADEEHM
CC(=O)C(=C(C)[O-])C(F)(F)F	17406950	571762895	/nfs/dbraw/zinc/76/28/95/571762895.db2.gz	NRUKASRIZGQZGT-HYXAFXHYSA-N	-1	3	168.114	1.970	10	30		ADEEHM
Cc1c2c([n-]c(=O)c1C#N)CCCC2	27102436	571775091	/nfs/dbraw/zinc/77/50/91/571775091.db2.gz	FMAOSQKPPWQRSH-UHFFFAOYSA-N	-1	3	188.230	1.434	10	30		ADEEHM
C=C1CCCc2c1nc(C)[n-]c2=O	1548932	571775922	/nfs/dbraw/zinc/77/59/22/571775922.db2.gz	CWRAYCOOKPTQQC-UHFFFAOYSA-N	-1	3	176.219	1.428	10	30		ADEEHM
CC(=O)C(Cl)=C(C)[O-]	1995229	571787959	/nfs/dbraw/zinc/78/79/59/571787959.db2.gz	XHNDEBXZUXMGLI-HWKANZROSA-N	-1	3	134.562	1.604	10	30		ADEEHM
CCC1=C(CC)/C(=N/[O-])NC1=O	37624914	571788348	/nfs/dbraw/zinc/78/83/48/571788348.db2.gz	FEYDFXDEAGPOFN-UHFFFAOYSA-N	-1	3	168.196	1.021	10	30		ADEEHM
O=C1/C(=N\[O-])Cc2ccc(Cl)cc21	116927179	571793113	/nfs/dbraw/zinc/79/31/13/571793113.db2.gz	OSVSWKWPKNVUJM-FLIBITNWSA-N	-1	3	195.605	1.909	10	30		ADEEHM
O=CCc1ccc([O-])c(F)c1	116885262	571797646	/nfs/dbraw/zinc/79/76/46/571797646.db2.gz	ZTZHJGFLAYYYGN-UHFFFAOYSA-N	-1	3	154.140	1.273	10	30		ADEEHM
C=C[C@H](NCCC(F)(F)F)C(=O)[O-]	301019697	571797918	/nfs/dbraw/zinc/79/79/18/571797918.db2.gz	JNOCNAHOFSRPFJ-YFKPBYRVSA-N	-1	3	197.156	1.168	10	30		ADEEHM
C=C[C@@H](NCCC(F)(F)F)C(=O)[O-]	301019696	571799164	/nfs/dbraw/zinc/79/91/64/571799164.db2.gz	JNOCNAHOFSRPFJ-RXMQYKEDSA-N	-1	3	197.156	1.168	10	30		ADEEHM
CC(C)[C@@H](C(=O)[O-])N(C)C[C@H](C)C#N	250683009	571800041	/nfs/dbraw/zinc/80/00/41/571800041.db2.gz	BEOSREZQFHJFIQ-BDAKNGLRSA-N	-1	3	198.266	1.187	10	30		ADEEHM
CC(C)[C@H](C(=O)[O-])N(C)C[C@H](C)C#N	250683012	571800752	/nfs/dbraw/zinc/80/07/52/571800752.db2.gz	BEOSREZQFHJFIQ-RKDXNWHRSA-N	-1	3	198.266	1.187	10	30		ADEEHM
C=C(Cl)CNC/C(C)=C/C(=O)[O-]	235723061	571802112	/nfs/dbraw/zinc/80/21/12/571802112.db2.gz	YHHQIXOHJYKBGF-ZZXKWVIFSA-N	-1	3	189.642	1.359	10	30		ADEEHM
C[C@H](C#N)CN(C)[C@H](C)CCC(=O)[O-]	251168038	571806422	/nfs/dbraw/zinc/80/64/22/571806422.db2.gz	DIDNPSOZFOQUMT-RKDXNWHRSA-N	-1	3	198.266	1.331	10	30		ADEEHM
CC1(C)CCC([O-])=CC1=O	4521979	571824176	/nfs/dbraw/zinc/82/41/76/571824176.db2.gz	GJTQDYIHNGOIPN-UHFFFAOYSA-N	-1	3	140.182	1.817	10	30		ADEEHM
CC1(C)CCC(=O)C=C1[O-]	4521979	571824172	/nfs/dbraw/zinc/82/41/72/571824172.db2.gz	GJTQDYIHNGOIPN-UHFFFAOYSA-N	-1	3	140.182	1.817	10	30		ADEEHM
CCC(=O)C=C([O-])C(F)(F)F	4262607	571826472	/nfs/dbraw/zinc/82/64/72/571826472.db2.gz	XSHHGKISOFCVQD-ARJAWSKDSA-N	-1	3	168.114	1.970	10	30		ADEEHM
O=C1C=C([O-])[C@H]2CC[C@@H]1C2	5114084	571833434	/nfs/dbraw/zinc/83/34/34/571833434.db2.gz	LHWPEHCAHOYMTN-RITPCOANSA-N	-1	3	138.166	1.427	10	30		ADEEHM
O=C1C=C([O-])[C@@H]2CC[C@H]1C2	5114084	571833436	/nfs/dbraw/zinc/83/34/36/571833436.db2.gz	LHWPEHCAHOYMTN-RITPCOANSA-N	-1	3	138.166	1.427	10	30		ADEEHM
O=C[C@@]([O-])(c1ccco1)C(F)(F)F	38212703	571837441	/nfs/dbraw/zinc/83/74/41/571837441.db2.gz	NRNMZYBQXRJABV-ZCFIWIBFSA-N	-1	3	194.108	1.228	10	30		ADEEHM
CN([O-])C(=O)[C@]1(C)C=CCC1	38251034	571839126	/nfs/dbraw/zinc/83/91/26/571839126.db2.gz	OFDPFSFXMRFOHX-MRVPVSSYSA-N	-1	3	155.197	1.190	10	30		ADEEHM
Cc1cc([O-])c2c(c1)[C@H](O)C=CC2=O	206446167	571847867	/nfs/dbraw/zinc/84/78/67/571847867.db2.gz	CUOVABSKUYPIRU-MRVPVSSYSA-N	-1	3	190.198	1.487	10	30		ADEEHM
CC(C)n1cc(C(Cl)=N[O-])cn1	379314713	571850147	/nfs/dbraw/zinc/85/01/47/571850147.db2.gz	PEXUYQLTUWOXJC-UHFFFAOYSA-N	-1	3	187.630	1.839	10	30		ADEEHM
Cc1ccc2c(c1[O-])C(=O)C=CC2=O	28871737	571851017	/nfs/dbraw/zinc/85/10/17/571851017.db2.gz	RFJJOAVQUJBQRV-UHFFFAOYSA-N	-1	3	188.182	1.636	10	30		ADEEHM
CC/N=C/c1ccccc1[O-]	5963504	571854104	/nfs/dbraw/zinc/85/41/04/571854104.db2.gz	SUCJTGMPGPJVNY-JXMROGBWSA-N	-1	3	149.193	1.831	10	30		ADEEHM
N#Cc1nc[n-]c1N=[N+]=[N-]	38759349	571854992	/nfs/dbraw/zinc/85/49/92/571854992.db2.gz	FNBQSAFOBKFSHL-UHFFFAOYSA-N	-1	3	134.102	1.223	10	30		ADEEHM
N#Cc1[n-]cnc1N=[N+]=[N-]	38759349	571854996	/nfs/dbraw/zinc/85/49/96/571854996.db2.gz	FNBQSAFOBKFSHL-UHFFFAOYSA-N	-1	3	134.102	1.223	10	30		ADEEHM
C/N=C/c1c([O-])cc(OC)cc1OC	38880948	571859418	/nfs/dbraw/zinc/85/94/18/571859418.db2.gz	HMXFQMXAAXXMKZ-IZZDOVSWSA-N	-1	3	195.218	1.458	10	30		ADEEHM
CC1(C)CC(=O)C(O)=C([O-])C1	38864195	571860797	/nfs/dbraw/zinc/86/07/97/571860797.db2.gz	ZOHDOAXZQJRAHM-UHFFFAOYSA-N	-1	3	156.181	1.703	10	30		ADEEHM
C=CCNCc1ncccc1C(=O)[O-]	300734320	571864337	/nfs/dbraw/zinc/86/43/37/571864337.db2.gz	FRTOQVVOQMOXHS-UHFFFAOYSA-N	-1	3	192.218	1.055	10	30		ADEEHM
[O-]N=Cc1ccc2[nH]cnc2c1	138988780	571864900	/nfs/dbraw/zinc/86/49/00/571864900.db2.gz	XUPJMKBSHKMEQM-NYYWCZLTSA-N	-1	3	161.164	1.371	10	30		ADEEHM
COc1ccc(/C=N\[O-])cc1C	108981588	571867308	/nfs/dbraw/zinc/86/73/08/571867308.db2.gz	JWTUAQXEPMZDBZ-POHAHGRESA-N	-1	3	165.192	1.812	10	30		ADEEHM
Cc1ccc2c(c1)N([O-])C(=O)C2	104676014	571868455	/nfs/dbraw/zinc/86/84/55/571868455.db2.gz	UDMFADRCCVKDBX-UHFFFAOYSA-N	-1	3	163.176	1.273	10	30		ADEEHM
C=C1C(=O)C=C(C)C([O-])=C1N=[N+]=[N-]	196123882	571872160	/nfs/dbraw/zinc/87/21/60/571872160.db2.gz	IQHPHRGNVRSRRR-UHFFFAOYSA-N	-1	3	177.163	1.669	10	30		ADEEHM
[O-]/N=C\c1ccc(CO)s1	39063128	571875298	/nfs/dbraw/zinc/87/52/98/571875298.db2.gz	RPHZMYFQNGOJQL-CLTKARDFSA-N	-1	3	157.194	1.049	10	30		ADEEHM
CN([O-])C(=O)C1CCCC1	39064348	571875717	/nfs/dbraw/zinc/87/57/17/571875717.db2.gz	WXXXZRPITUCXCN-UHFFFAOYSA-N	-1	3	143.186	1.024	10	30		ADEEHM
CC1(C)CC(=C[O-])C(=O)S1	39063178	571877534	/nfs/dbraw/zinc/87/75/34/571877534.db2.gz	NHWDGEMSJSSPLG-PLNGDYQASA-N	-1	3	158.222	1.870	10	30		ADEEHM
C[C@H](O)c1ccc(/C=N/[O-])cc1	39071705	571878022	/nfs/dbraw/zinc/87/80/22/571878022.db2.gz	FQVRFXRMZTVRKK-FSEMZKDTSA-N	-1	3	165.192	1.548	10	30		ADEEHM
CC[C@](C)(OC)/C(C)=N/[O-]	39074131	571879187	/nfs/dbraw/zinc/87/91/87/571879187.db2.gz	HHEXPZWWTDUHOW-DGUDBNDOSA-N	-1	3	145.202	1.652	10	30		ADEEHM
CC[C@@](C)(OC)/C(C)=N/[O-]	39074132	571879577	/nfs/dbraw/zinc/87/95/77/571879577.db2.gz	HHEXPZWWTDUHOW-UQBZRGDZSA-N	-1	3	145.202	1.652	10	30		ADEEHM
C#C[C@@H](C)N[C@@H](CCCC)C(=O)[O-]	300011844	571879872	/nfs/dbraw/zinc/87/98/72/571879872.db2.gz	MAYAKDNEZYFPNF-BDAKNGLRSA-N	-1	3	183.251	1.241	10	30		ADEEHM
C#C[C@H](C)N[C@@H](CCCC)C(=O)[O-]	300011845	571880586	/nfs/dbraw/zinc/88/05/86/571880586.db2.gz	MAYAKDNEZYFPNF-IUCAKERBSA-N	-1	3	183.251	1.241	10	30		ADEEHM
CN1CCS[C@@]1(C)[S-]	39079991	571880795	/nfs/dbraw/zinc/88/07/95/571880795.db2.gz	AYMXNDOSUPQTOF-RXMQYKEDSA-N	-1	3	149.284	1.269	10	30		ADEEHM
CN1CCS[C@]1(C)[S-]	39079993	571882003	/nfs/dbraw/zinc/88/20/03/571882003.db2.gz	AYMXNDOSUPQTOF-YFKPBYRVSA-N	-1	3	149.284	1.269	10	30		ADEEHM
CC1(C)[C@@H](/C=N/[O-])C1(F)F	39088374	571883063	/nfs/dbraw/zinc/88/30/63/571883063.db2.gz	AHBXASJJTPKBKS-UGTDVNPESA-N	-1	3	149.140	1.738	10	30		ADEEHM
CC1(C)[C@H](/C=N/[O-])C1(F)F	39088373	571883655	/nfs/dbraw/zinc/88/36/55/571883655.db2.gz	AHBXASJJTPKBKS-IMMCFVPVSA-N	-1	3	149.140	1.738	10	30		ADEEHM
CC(C)[C@@H]1CCC([O-])=C(O)C1=O	39104457	571889197	/nfs/dbraw/zinc/88/91/97/571889197.db2.gz	RAFTUJGWCWHQOQ-LURJTMIESA-N	-1	3	170.208	1.949	10	30		ADEEHM
CC(C)[C@@H]1CCC(=O)C(O)=C1[O-]	39104457	571889195	/nfs/dbraw/zinc/88/91/95/571889195.db2.gz	RAFTUJGWCWHQOQ-LURJTMIESA-N	-1	3	170.208	1.949	10	30		ADEEHM
CC(C)[C@@H]1C=CC([O-])=CC(=O)C1	39104090	571889744	/nfs/dbraw/zinc/88/97/44/571889744.db2.gz	RWMHIEXYDOWKDI-MRVPVSSYSA-N	-1	3	166.220	1.747	10	30		ADEEHM
CC(C)[C@H]1CCC(=O)C(O)=C1[O-]	39104458	571890470	/nfs/dbraw/zinc/89/04/70/571890470.db2.gz	RAFTUJGWCWHQOQ-ZCFIWIBFSA-N	-1	3	170.208	1.949	10	30		ADEEHM
CC(C)[C@H]1CCC([O-])=C(O)C1=O	39104458	571890473	/nfs/dbraw/zinc/89/04/73/571890473.db2.gz	RAFTUJGWCWHQOQ-ZCFIWIBFSA-N	-1	3	170.208	1.949	10	30		ADEEHM
CC(C)[C@H]1C=CC([O-])=CC(=O)C1	39104089	571890334	/nfs/dbraw/zinc/89/03/34/571890334.db2.gz	RWMHIEXYDOWKDI-QMMMGPOBSA-N	-1	3	166.220	1.747	10	30		ADEEHM
N#Cc1nc2ccc(Cl)cc2n1[O-]	95922893	571892302	/nfs/dbraw/zinc/89/23/02/571892302.db2.gz	XXPZXOBWFVZXNL-UHFFFAOYSA-N	-1	3	193.593	1.799	10	30		ADEEHM
C#Cc1cc(C(=O)OC)ccc1[O-]	139165836	571893496	/nfs/dbraw/zinc/89/34/96/571893496.db2.gz	JNCFWYRBLDTNLN-UHFFFAOYSA-N	-1	3	176.171	1.160	10	30		ADEEHM
CC(=O)C=C([O-])C(F)(F)Cl	139184963	571894985	/nfs/dbraw/zinc/89/49/85/571894985.db2.gz	NOUFOQKBCMQPQN-DUXPYHPUSA-N	-1	3	170.542	1.849	10	30		ADEEHM
O=C1Nc2ccccc2O[C@@H]1[S-]	39116859	571895957	/nfs/dbraw/zinc/89/59/57/571895957.db2.gz	AHFSAYIWRAQRHJ-MRVPVSSYSA-N	-1	3	181.216	1.273	10	30		ADEEHM
O=C1Nc2ccccc2O[C@H]1[S-]	39116858	571896193	/nfs/dbraw/zinc/89/61/93/571896193.db2.gz	AHFSAYIWRAQRHJ-QMMMGPOBSA-N	-1	3	181.216	1.273	10	30		ADEEHM
[O-]/N=C\c1ccc2c(c1)OCCCO2	207494494	571900226	/nfs/dbraw/zinc/90/02/26/571900226.db2.gz	BNTHYTFXHBHPKI-XFFZJAGNSA-N	-1	3	193.202	1.656	10	30		ADEEHM
C=C[C@@H](NCc1ccoc1)C(=O)[O-]	301052178	571901042	/nfs/dbraw/zinc/90/10/42/571901042.db2.gz	VQIWOMUPWNZWFO-MRVPVSSYSA-N	-1	3	181.191	1.008	10	30		ADEEHM
C=C[C@H](NCc1ccoc1)C(=O)[O-]	301052179	571901419	/nfs/dbraw/zinc/90/14/19/571901419.db2.gz	VQIWOMUPWNZWFO-QMMMGPOBSA-N	-1	3	181.191	1.008	10	30		ADEEHM
CC1=CC(=N/[O-])/C(=N\O)C=C1	39133613	571901451	/nfs/dbraw/zinc/90/14/51/571901451.db2.gz	SHNKCHDVAZCYNS-VRHVFUOLSA-N	-1	3	152.153	1.163	10	30		ADEEHM
CC1=CC(=N/O)/C(=N\[O-])C=C1	39133613	571901456	/nfs/dbraw/zinc/90/14/56/571901456.db2.gz	SHNKCHDVAZCYNS-VRHVFUOLSA-N	-1	3	152.153	1.163	10	30		ADEEHM
O=C1Nc2ccccc2S[C@@H]1[S-]	39149050	571904848	/nfs/dbraw/zinc/90/48/48/571904848.db2.gz	DPDRISYMIJDBMZ-QMMMGPOBSA-N	-1	3	197.284	1.987	10	30		ADEEHM
O=C1Nc2ccccc2S[C@H]1[S-]	39149049	571905438	/nfs/dbraw/zinc/90/54/38/571905438.db2.gz	DPDRISYMIJDBMZ-MRVPVSSYSA-N	-1	3	197.284	1.987	10	30		ADEEHM
CON=Cc1cc(F)ccc1[O-]	379325472	571907635	/nfs/dbraw/zinc/90/76/35/571907635.db2.gz	CKKVKJICOHISAO-UHFFFAOYSA-N	-1	3	169.155	1.512	10	30		ADEEHM
CC(=NN(C)C)c1ccccc1[O-]	308469207	571908777	/nfs/dbraw/zinc/90/87/77/571908777.db2.gz	KALUQYQAFFEUHX-UHFFFAOYSA-N	-1	3	178.235	1.678	10	30		ADEEHM
CON=Cc1cc([O-])cc(F)c1	379325953	571908400	/nfs/dbraw/zinc/90/84/00/571908400.db2.gz	FPJKEWPZCDRATC-UHFFFAOYSA-N	-1	3	169.155	1.512	10	30		ADEEHM
[O-]/N=C(/Cl)c1cccnc1	39213626	571910368	/nfs/dbraw/zinc/91/03/68/571910368.db2.gz	IXSGOUDPRIHUBN-RMKNXTFCSA-N	-1	3	156.572	1.456	10	30		ADEEHM
[S-][C@H]1CCCCO1	39256023	571917251	/nfs/dbraw/zinc/91/72/51/571917251.db2.gz	CBXGQSLFMHOKNI-YFKPBYRVSA-N	-1	3	118.201	1.443	10	30		ADEEHM
[S-][C@@H]1CCCCO1	39256022	571918038	/nfs/dbraw/zinc/91/80/38/571918038.db2.gz	CBXGQSLFMHOKNI-RXMQYKEDSA-N	-1	3	118.201	1.443	10	30		ADEEHM
O=C1C(=C[O-])Nc2ccccc21	139370066	571920387	/nfs/dbraw/zinc/92/03/87/571920387.db2.gz	NIQUKJVDCDRENO-YVMONPNESA-N	-1	3	161.160	1.694	10	30		ADEEHM
COc1ccc(C(C)=NN)c([O-])c1	308475752	571920715	/nfs/dbraw/zinc/92/07/15/571920715.db2.gz	LWUSJNRPIMYISV-UHFFFAOYSA-N	-1	3	180.207	1.084	10	30		ADEEHM
C=CCC1=C([O-])CCC1=O	39340168	571921758	/nfs/dbraw/zinc/92/17/58/571921758.db2.gz	DMZQFYFIHVSEBA-UHFFFAOYSA-N	-1	3	138.166	1.111	10	30		ADEEHM
CNN=C(C)c1ccc(C)cc1[O-]	379405973	571939174	/nfs/dbraw/zinc/93/91/74/571939174.db2.gz	VFESDDBNDHZWAT-UHFFFAOYSA-N	-1	3	178.235	1.644	10	30		ADEEHM
C#CC(C)(C)NC/C(C)=C/C(=O)[O-]	235781084	571939274	/nfs/dbraw/zinc/93/92/74/571939274.db2.gz	XUQSRGGYWWWHAI-SOFGYWHQSA-N	-1	3	181.235	1.019	10	30		ADEEHM
CNN=C(C)c1cc(F)ccc1[O-]	379406083	571939332	/nfs/dbraw/zinc/93/93/32/571939332.db2.gz	VMEFCTRETYPBNO-UHFFFAOYSA-N	-1	3	182.198	1.475	10	30		ADEEHM
CCC(C#N)=C([O-])c1cn(C)cn1	233973104	571942305	/nfs/dbraw/zinc/94/23/05/571942305.db2.gz	ZRKDSWMUXSDQTI-SSDOTTSWSA-N	-1	3	177.207	1.153	10	30		ADEEHM
CCC(C#N)=C([O-])c1cncs1	233973134	571943720	/nfs/dbraw/zinc/94/37/20/571943720.db2.gz	PBZQSJAFCKSETL-ZCFIWIBFSA-N	-1	3	180.232	1.876	10	30		ADEEHM
C=CCCC(=O)[N-]C(=O)OCC	39138929	571947224	/nfs/dbraw/zinc/94/72/24/571947224.db2.gz	FZMMSZKWORMUHX-UHFFFAOYSA-N	-1	3	171.196	1.225	10	30		ADEEHM
CC(C)(C)C#CCNC(C)(C)C(=O)[O-]	300826813	571947532	/nfs/dbraw/zinc/94/75/32/571947532.db2.gz	ZZPMONOTRPTFNK-UHFFFAOYSA-N	-1	3	197.278	1.489	10	30		ADEEHM
C#Cc1cccc([O-])c1C#C	140515713	571947790	/nfs/dbraw/zinc/94/77/90/571947790.db2.gz	ZDGSVOPAXHEGLB-UHFFFAOYSA-N	-1	3	142.157	1.355	10	30		ADEEHM
C=CCC[C@@H]1CCC(=O)C=C1[O-]	140617561	571955392	/nfs/dbraw/zinc/95/53/92/571955392.db2.gz	UIMCOJMMSNCJEQ-MRVPVSSYSA-N	-1	3	166.220	1.891	10	30		ADEEHM
C=CCC[C@@H]1CCC([O-])=CC1=O	140617561	571955396	/nfs/dbraw/zinc/95/53/96/571955396.db2.gz	UIMCOJMMSNCJEQ-MRVPVSSYSA-N	-1	3	166.220	1.891	10	30		ADEEHM
C=CCC[C@H]1CCC(=O)C=C1[O-]	140617741	571957367	/nfs/dbraw/zinc/95/73/67/571957367.db2.gz	UIMCOJMMSNCJEQ-QMMMGPOBSA-N	-1	3	166.220	1.891	10	30		ADEEHM
O=C(C[C@H]1CNc2ccccc21)N[O-]	87664917	571956837	/nfs/dbraw/zinc/95/68/37/571956837.db2.gz	YYVHLQVRDKKVOT-ZETCQYMHSA-N	-1	3	192.218	1.091	10	30		ADEEHM
CC(C)(C(=O)N[O-])c1ccc(N)cc1	87648020	571957018	/nfs/dbraw/zinc/95/70/18/571957018.db2.gz	KLPJOJAJIXQRCG-UHFFFAOYSA-N	-1	3	194.234	1.052	10	30		ADEEHM
C=CCC[C@H]1CCC([O-])=CC1=O	140617741	571957370	/nfs/dbraw/zinc/95/73/70/571957370.db2.gz	UIMCOJMMSNCJEQ-QMMMGPOBSA-N	-1	3	166.220	1.891	10	30		ADEEHM
O=C(C[C@@H]1CNc2ccccc21)N[O-]	87664915	571958097	/nfs/dbraw/zinc/95/80/97/571958097.db2.gz	YYVHLQVRDKKVOT-SSDOTTSWSA-N	-1	3	192.218	1.091	10	30		ADEEHM
O=C1C=C(c2ccc(O)cc2[O-])CC1	140648980	571958626	/nfs/dbraw/zinc/95/86/26/571958626.db2.gz	FTBMBPDQILODJR-UHFFFAOYSA-N	-1	3	190.198	1.844	10	30		ADEEHM
CN(C)c1ccc([O-])c(C#N)c1	59661751	571964597	/nfs/dbraw/zinc/96/45/97/571964597.db2.gz	VHSUBVDFWALRGM-UHFFFAOYSA-N	-1	3	162.192	1.330	10	30		ADEEHM
CCc1ccc(C#N)c([O-])c1	59788217	571972379	/nfs/dbraw/zinc/97/23/79/571972379.db2.gz	WOZVPMDTZPJZAR-UHFFFAOYSA-N	-1	3	147.177	1.826	10	30		ADEEHM
CC(=O)C(=C(C)[O-])C(F)(F)F	139723737	571976514	/nfs/dbraw/zinc/97/65/14/571976514.db2.gz	NRUKASRIZGQZGT-HWKANZROSA-N	-1	3	168.114	1.970	10	30		ADEEHM
C/C(=N/[O-])c1ccc(O)c(O)c1	13480995	571984773	/nfs/dbraw/zinc/98/47/73/571984773.db2.gz	YWYUVHWNZYZGJV-UITAMQMPSA-N	-1	3	167.164	1.296	10	30		ADEEHM
CCC(C)=NN=c1cc[n-]n1C	388401680	571985110	/nfs/dbraw/zinc/98/51/10/571985110.db2.gz	OJWMTOFFCHUFBW-UHFFFAOYSA-N	-1	3	166.228	1.040	10	30		ADEEHM
O=Cc1cc(CCS)ccc1[O-]	196163344	571987255	/nfs/dbraw/zinc/98/72/55/571987255.db2.gz	MHEOGYMFYVYZAA-UHFFFAOYSA-N	-1	3	182.244	1.677	10	30		ADEEHM
O=C1C=C([O-])[C@H]2CCCC[C@H]12	139915197	571991222	/nfs/dbraw/zinc/99/12/22/571991222.db2.gz	CJLMMGAUHBESMI-BQBZGAKWSA-N	-1	3	152.193	1.817	10	30		ADEEHM
COc1c([O-])c(F)cc(CC#N)c1F	196177383	571990828	/nfs/dbraw/zinc/99/08/28/571990828.db2.gz	KYYQZRWARQRFGK-UHFFFAOYSA-N	-1	3	199.156	1.745	10	30		ADEEHM
O=C1C=C([O-])[C@@H]2CCCC[C@@H]12	139914877	571991681	/nfs/dbraw/zinc/99/16/81/571991681.db2.gz	CJLMMGAUHBESMI-RNFRBKRXSA-N	-1	3	152.193	1.817	10	30		ADEEHM
O=C1C=C([O-])[C@H]2CCCC[C@@H]12	139914987	571991722	/nfs/dbraw/zinc/99/17/22/571991722.db2.gz	CJLMMGAUHBESMI-RQJHMYQMSA-N	-1	3	152.193	1.817	10	30		ADEEHM
O=C1C=C([S-])CCC1	206992254	571994514	/nfs/dbraw/zinc/99/45/14/571994514.db2.gz	ZLUIYNIVUIKWAK-UHFFFAOYSA-N	-1	3	128.196	1.553	10	30		ADEEHM
[O-]C1=CC(=S)CCC1	206992254	571994516	/nfs/dbraw/zinc/99/45/16/571994516.db2.gz	ZLUIYNIVUIKWAK-UHFFFAOYSA-N	-1	3	128.196	1.553	10	30		ADEEHM
[O-]/N=C1/C=Nc2ccccc21	14517274	572006178	/nfs/dbraw/zinc/00/61/78/572006178.db2.gz	IGRUUAZTAKFTCS-NTMALXAHSA-N	-1	3	146.149	1.581	10	30		ADEEHM
C#CCN[C@](CC)(CCCC)C(=O)[O-]	68986326	572014003	/nfs/dbraw/zinc/01/40/03/572014003.db2.gz	MOSUSFNMYQTIPI-LLVKDONJSA-N	-1	3	197.278	1.633	10	30		ADEEHM
CC1=CC(=O)C(C)=C(C)/C1=N\[O-]	14822246	572021592	/nfs/dbraw/zinc/02/15/92/572021592.db2.gz	YBZNEWDLUIBBFW-KTKRTIGZSA-N	-1	3	165.192	1.682	10	30		ADEEHM
O=C(N[O-])C1C2CC3CC(C2)CC1C3	88318429	572026024	/nfs/dbraw/zinc/02/60/24/572026024.db2.gz	LYSSYUZHBIJLSM-UHFFFAOYSA-N	-1	3	195.262	1.564	10	30		ADEEHM
CC1(C(=O)N[O-])CCCC1	88362488	572026072	/nfs/dbraw/zinc/02/60/72/572026072.db2.gz	NQMXOEQQMODRFT-UHFFFAOYSA-N	-1	3	143.186	1.072	10	30		ADEEHM
CC(C)N(CCC#N)C[C@@H](C)C(=O)[O-]	42529510	572029104	/nfs/dbraw/zinc/02/91/04/572029104.db2.gz	OZBFWZDPUDLFCB-SECBINFHSA-N	-1	3	198.266	1.331	10	30		ADEEHM
C=CCc1cccc(C(N)=O)c1[O-]	33640204	572029256	/nfs/dbraw/zinc/02/92/56/572029256.db2.gz	DAKYRGCEWJOEHW-UHFFFAOYSA-N	-1	3	177.203	1.220	10	30		ADEEHM
CC/C(=N\[O-])C(=O)NC(C)(C)C	207160976	572031680	/nfs/dbraw/zinc/03/16/80/572031680.db2.gz	JWKJYMLMXPNJAO-UXBLZVDNSA-N	-1	3	172.228	1.141	10	30		ADEEHM
COC1=CC([O-])=CC(=O)C1(C)C	15119644	572032597	/nfs/dbraw/zinc/03/25/97/572032597.db2.gz	RQDGSIKXAYGFRU-UHFFFAOYSA-N	-1	3	168.192	1.085	10	30		ADEEHM
N#CC/N=C/c1ccccc1[O-]	33845880	572040250	/nfs/dbraw/zinc/04/02/50/572040250.db2.gz	XSOYYIJICFAGDV-YRNVUSSQSA-N	-1	3	160.176	1.335	10	30		ADEEHM
CC(C)(C)C(=O)c1nc[n-]c1C#N	34060832	572049516	/nfs/dbraw/zinc/04/95/16/572049516.db2.gz	RKMIUGBPBUKYPU-UHFFFAOYSA-N	-1	3	177.207	1.510	10	30		ADEEHM
CC(C)(C)C(=O)c1[n-]cnc1C#N	34060832	572049518	/nfs/dbraw/zinc/04/95/18/572049518.db2.gz	RKMIUGBPBUKYPU-UHFFFAOYSA-N	-1	3	177.207	1.510	10	30		ADEEHM
C[C@@H]1CC(=O)C=C1[O-]	16034627	572055858	/nfs/dbraw/zinc/05/58/58/572055858.db2.gz	PIZMFNXTPMMJON-SCSAIBSYSA-N	-1	3	112.128	1.037	10	30		ADEEHM
CC(C)C1=C/C(=N/[O-])C=CC1=O	34157220	572060781	/nfs/dbraw/zinc/06/07/81/572060781.db2.gz	XXKAQIZVTXZWAQ-JXMROGBWSA-N	-1	3	165.192	1.538	10	30		ADEEHM
Cc1oc(Nc2ccccc2)cc1[O-]	34246240	572066643	/nfs/dbraw/zinc/06/66/43/572066643.db2.gz	CUVSNRZJQMFLCJ-QMMMGPOBSA-N	-1	3	189.214	1.928	10	30		ADEEHM
CC[C@H]1CCC(=O)C=C1[O-]	34266038	572066674	/nfs/dbraw/zinc/06/66/74/572066674.db2.gz	LHTSBYAMKCIGAP-LURJTMIESA-N	-1	3	140.182	1.817	10	30		ADEEHM
CC[C@H]1CCC([O-])=CC1=O	34266038	572066677	/nfs/dbraw/zinc/06/66/77/572066677.db2.gz	LHTSBYAMKCIGAP-LURJTMIESA-N	-1	3	140.182	1.817	10	30		ADEEHM
CC[C@@H]1CCC(=O)C=C1[O-]	34266037	572067767	/nfs/dbraw/zinc/06/77/67/572067767.db2.gz	LHTSBYAMKCIGAP-ZCFIWIBFSA-N	-1	3	140.182	1.817	10	30		ADEEHM
CC[C@@H]1CCC([O-])=CC1=O	34266037	572067768	/nfs/dbraw/zinc/06/77/68/572067768.db2.gz	LHTSBYAMKCIGAP-ZCFIWIBFSA-N	-1	3	140.182	1.817	10	30		ADEEHM
N#CCc1ccc(O)c([O-])c1F	34346357	572073914	/nfs/dbraw/zinc/07/39/14/572073914.db2.gz	INDYPNNETMOZHA-UHFFFAOYSA-N	-1	3	167.139	1.303	10	30		ADEEHM
N#CCc1ccc([O-])c(O)c1F	34346357	572073916	/nfs/dbraw/zinc/07/39/16/572073916.db2.gz	INDYPNNETMOZHA-UHFFFAOYSA-N	-1	3	167.139	1.303	10	30		ADEEHM
C=CCN(CC=C)C/C(C)=C/C(=O)[O-]	82613570	572074930	/nfs/dbraw/zinc/07/49/30/572074930.db2.gz	BZKYSHGDJTXTDV-CSKARUKUSA-N	-1	3	195.262	1.691	10	30		ADEEHM
Cc1cccc2c1CC(=O)N2[O-]	34354469	572075422	/nfs/dbraw/zinc/07/54/22/572075422.db2.gz	KAOHJKVKGLERFS-UHFFFAOYSA-N	-1	3	163.176	1.273	10	30		ADEEHM
CC(=O)N([O-])c1ccccc1C=O	238144148	572081566	/nfs/dbraw/zinc/08/15/66/572081566.db2.gz	JHMBKFLWVSQVPA-UHFFFAOYSA-N	-1	3	179.175	1.241	10	30		ADEEHM
CC(=O)N([O-])c1cccc(C=O)c1	238144089	572082408	/nfs/dbraw/zinc/08/24/08/572082408.db2.gz	SAEKGWBZZZSHLU-UHFFFAOYSA-N	-1	3	179.175	1.241	10	30		ADEEHM
NC/C(=N/[O-])c1ccc(Cl)cc1	17064057	572093701	/nfs/dbraw/zinc/09/37/01/572093701.db2.gz	SOHVOBSVFSBXQA-FLIBITNWSA-N	-1	3	184.626	1.477	10	30		ADEEHM
CC[C@@H]1Cc2ccccc2N([O-])C1=O	238274455	572099928	/nfs/dbraw/zinc/09/99/28/572099928.db2.gz	AOSBJGBQMOWSJM-MRVPVSSYSA-N	-1	3	191.230	1.991	10	30		ADEEHM
C[C@@H]1CC(=O)N([O-])c2cc(N)ccc21	238410825	572102170	/nfs/dbraw/zinc/10/21/70/572102170.db2.gz	ONVPSJNZTCIPCT-ZCFIWIBFSA-N	-1	3	192.218	1.498	10	30		ADEEHM
C[C@H]1CC(=O)N([O-])c2cc(N)ccc21	238453378	572104049	/nfs/dbraw/zinc/10/40/49/572104049.db2.gz	ONVPSJNZTCIPCT-LURJTMIESA-N	-1	3	192.218	1.498	10	30		ADEEHM
C#C[C@@H](N[C@H](CCC)C(=O)[O-])C(C)C	300938160	572104634	/nfs/dbraw/zinc/10/46/34/572104634.db2.gz	OKUKTHWGWCKDKK-NXEZZACHSA-N	-1	3	197.278	1.487	10	30		ADEEHM
C#C[C@H](N[C@@H](CCC)C(=O)[O-])C(C)C	300938162	572104585	/nfs/dbraw/zinc/10/45/85/572104585.db2.gz	OKUKTHWGWCKDKK-UWVGGRQHSA-N	-1	3	197.278	1.487	10	30		ADEEHM
C#C[C@@H](N[C@@H](CCC)C(=O)[O-])C(C)C	300938166	572104689	/nfs/dbraw/zinc/10/46/89/572104689.db2.gz	OKUKTHWGWCKDKK-ZJUUUORDSA-N	-1	3	197.278	1.487	10	30		ADEEHM
C#C[C@H](N[C@H](CCC)C(=O)[O-])C(C)C	300938164	572104744	/nfs/dbraw/zinc/10/47/44/572104744.db2.gz	OKUKTHWGWCKDKK-VHSXEESVSA-N	-1	3	197.278	1.487	10	30		ADEEHM
Cc1ccc(N([O-])C(=O)[C@H](C)N)cc1	238469227	572105992	/nfs/dbraw/zinc/10/59/92/572105992.db2.gz	OXGPNAQIOSSAFG-QMMMGPOBSA-N	-1	3	194.234	1.064	10	30		ADEEHM
Cc1cccc(NCC(=O)N[O-])c1C	238534010	572111359	/nfs/dbraw/zinc/11/13/59/572111359.db2.gz	XYPWQMWIFPRGBY-UHFFFAOYSA-N	-1	3	194.234	1.221	10	30		ADEEHM
Cc1ccc(NCC(=O)N[O-])c(C)c1	238520383	572112696	/nfs/dbraw/zinc/11/26/96/572112696.db2.gz	XEPLRCJPFGGQHQ-UHFFFAOYSA-N	-1	3	194.234	1.221	10	30		ADEEHM
O=C(N[O-])C1=Nc2ccccc2CC1	238710277	572122497	/nfs/dbraw/zinc/12/24/97/572122497.db2.gz	BJBIAWFETYBJGT-UHFFFAOYSA-N	-1	3	190.202	1.044	10	30		ADEEHM
C=CCN(CC=C)CC(=C)C(=O)[O-]	69907929	572157316	/nfs/dbraw/zinc/15/73/16/572157316.db2.gz	SCGHUPZGUOPGRC-UHFFFAOYSA-N	-1	3	181.235	1.301	10	30		ADEEHM
CCC(=N[O-])c1ccc(F)cn1	379339219	572184174	/nfs/dbraw/zinc/18/41/74/572184174.db2.gz	ZEHKDELXZATVCE-UHFFFAOYSA-N	-1	3	168.171	1.809	10	30		ADEEHM
C[C@@H](Oc1ccccc1F)/C(N)=N/[O-]	43516452	572193889	/nfs/dbraw/zinc/19/38/89/572193889.db2.gz	GFFLHTUGLXLYJK-ZCFIWIBFSA-N	-1	3	198.197	1.339	10	30		ADEEHM
C[C@@H](Oc1ccc(F)cc1)/C(N)=N/[O-]	43516490	572194598	/nfs/dbraw/zinc/19/45/98/572194598.db2.gz	WXUWTJWLPOCVQH-ZCFIWIBFSA-N	-1	3	198.197	1.339	10	30		ADEEHM
C[C@@H](Oc1cccc(F)c1)/C(N)=N/[O-]	43516505	572195124	/nfs/dbraw/zinc/19/51/24/572195124.db2.gz	IBNNRRXCXKNTBN-ZCFIWIBFSA-N	-1	3	198.197	1.339	10	30		ADEEHM
Cc1ccc2c(c1)OC/C2=N\[O-]	19925202	572204234	/nfs/dbraw/zinc/20/42/34/572204234.db2.gz	MFYKPXQABASMSW-CSKARUKUSA-N	-1	3	163.176	1.566	10	30		ADEEHM
Cc1ccc([O-])c(C#CC#N)c1	140336174	572204707	/nfs/dbraw/zinc/20/47/07/572204707.db2.gz	KYWQDCIGLJUFCB-UHFFFAOYSA-N	-1	3	157.172	1.576	10	30		ADEEHM
Nc1c(/C=N/[O-])ccc2ncccc12	36448365	572211518	/nfs/dbraw/zinc/21/15/18/572211518.db2.gz	LIORMTVHNLXADF-AWNIVKPZSA-N	-1	3	187.202	1.625	10	30		ADEEHM
C#C[C@@H](N[C@@H](C(=O)[O-])C(C)C)C(C)C	300981292	572217060	/nfs/dbraw/zinc/21/70/60/572217060.db2.gz	UGKMDQMQEBWUSE-NXEZZACHSA-N	-1	3	197.278	1.343	10	30		ADEEHM
C#C[C@@H](N[C@H](C(=O)[O-])C(C)C)C(C)C	300981295	572217324	/nfs/dbraw/zinc/21/73/24/572217324.db2.gz	UGKMDQMQEBWUSE-ZJUUUORDSA-N	-1	3	197.278	1.343	10	30		ADEEHM
C#C[C@H](N[C@@H](C(=O)[O-])C(C)C)C(C)C	300981294	572217916	/nfs/dbraw/zinc/21/79/16/572217916.db2.gz	UGKMDQMQEBWUSE-VHSXEESVSA-N	-1	3	197.278	1.343	10	30		ADEEHM
C#C[C@H](N[C@H](C(=O)[O-])C(C)C)C(C)C	300981293	572219130	/nfs/dbraw/zinc/21/91/30/572219130.db2.gz	UGKMDQMQEBWUSE-UWVGGRQHSA-N	-1	3	197.278	1.343	10	30		ADEEHM
CCSCc1nnc(CC#N)[n-]1	83486426	572225851	/nfs/dbraw/zinc/22/58/51/572225851.db2.gz	LRFMMEASEDJQIV-UHFFFAOYSA-N	-1	3	182.252	1.124	10	30		ADEEHM
CCSCc1n[n-]c(CC#N)n1	83486426	572225855	/nfs/dbraw/zinc/22/58/55/572225855.db2.gz	LRFMMEASEDJQIV-UHFFFAOYSA-N	-1	3	182.252	1.124	10	30		ADEEHM
CCSCc1nc(CC#N)n[n-]1	83486426	572225857	/nfs/dbraw/zinc/22/58/57/572225857.db2.gz	LRFMMEASEDJQIV-UHFFFAOYSA-N	-1	3	182.252	1.124	10	30		ADEEHM
CCCSCc1nnc(CC#N)[n-]1	83488185	572226912	/nfs/dbraw/zinc/22/69/12/572226912.db2.gz	MIQRWCMLAVMDDE-UHFFFAOYSA-N	-1	3	196.279	1.514	10	30		ADEEHM
CCCSCc1n[n-]c(CC#N)n1	83488185	572226915	/nfs/dbraw/zinc/22/69/15/572226915.db2.gz	MIQRWCMLAVMDDE-UHFFFAOYSA-N	-1	3	196.279	1.514	10	30		ADEEHM
CCCSCc1nc(CC#N)n[n-]1	83488185	572226917	/nfs/dbraw/zinc/22/69/17/572226917.db2.gz	MIQRWCMLAVMDDE-UHFFFAOYSA-N	-1	3	196.279	1.514	10	30		ADEEHM
CC(C)SCc1nnc(CC#N)[n-]1	83489936	572227612	/nfs/dbraw/zinc/22/76/12/572227612.db2.gz	WROQDPXWXPSKBT-UHFFFAOYSA-N	-1	3	196.279	1.512	10	30		ADEEHM
CC(C)SCc1n[n-]c(CC#N)n1	83489936	572227615	/nfs/dbraw/zinc/22/76/15/572227615.db2.gz	WROQDPXWXPSKBT-UHFFFAOYSA-N	-1	3	196.279	1.512	10	30		ADEEHM
CC(C)SCc1nc(CC#N)n[n-]1	83489936	572227617	/nfs/dbraw/zinc/22/76/17/572227617.db2.gz	WROQDPXWXPSKBT-UHFFFAOYSA-N	-1	3	196.279	1.512	10	30		ADEEHM
C#CCN[C@H](C(=O)[O-])[C@H](C)CC(C)C	300991997	572230620	/nfs/dbraw/zinc/23/06/20/572230620.db2.gz	VSUJHNKIMFPDHX-ZJUUUORDSA-N	-1	3	197.278	1.345	10	30		ADEEHM
C#CCN[C@H](C(=O)[O-])[C@@H](C)CC(C)C	300991995	572230143	/nfs/dbraw/zinc/23/01/43/572230143.db2.gz	VSUJHNKIMFPDHX-UWVGGRQHSA-N	-1	3	197.278	1.345	10	30		ADEEHM
C#CCN[C@@H](C(=O)[O-])[C@H](C)CC(C)C	300991994	572230205	/nfs/dbraw/zinc/23/02/05/572230205.db2.gz	VSUJHNKIMFPDHX-NXEZZACHSA-N	-1	3	197.278	1.345	10	30		ADEEHM
C#CCN[C@@H](C(=O)[O-])[C@@H](C)CC(C)C	300991996	572230440	/nfs/dbraw/zinc/23/04/40/572230440.db2.gz	VSUJHNKIMFPDHX-VHSXEESVSA-N	-1	3	197.278	1.345	10	30		ADEEHM
CCc1nn(C)cc1/C(Cl)=N/[O-]	234126248	572235330	/nfs/dbraw/zinc/23/53/30/572235330.db2.gz	GNKPJKHWBKKMBI-YFHOEESVSA-N	-1	3	187.630	1.357	10	30		ADEEHM
CC[C@@H](OCc1ccco1)/C(N)=N/[O-]	43540902	572237824	/nfs/dbraw/zinc/23/78/24/572237824.db2.gz	YHDXHAVKJPDMFM-MRVPVSSYSA-N	-1	3	198.222	1.321	10	30		ADEEHM
Cc1ccnc(-c2nc(CC#N)n[n-]2)c1	70584254	572238779	/nfs/dbraw/zinc/23/87/79/572238779.db2.gz	RLQLATCLYXYERJ-UHFFFAOYSA-N	-1	3	199.217	1.241	10	30		ADEEHM
Cc1ccnc(-c2nnc(CC#N)[n-]2)c1	70584254	572238781	/nfs/dbraw/zinc/23/87/81/572238781.db2.gz	RLQLATCLYXYERJ-UHFFFAOYSA-N	-1	3	199.217	1.241	10	30		ADEEHM
Cc1ccnc(-c2n[n-]c(CC#N)n2)c1	70584254	572238782	/nfs/dbraw/zinc/23/87/82/572238782.db2.gz	RLQLATCLYXYERJ-UHFFFAOYSA-N	-1	3	199.217	1.241	10	30		ADEEHM
CC[C@H](OCc1ccco1)/C(N)=N/[O-]	43540901	572238821	/nfs/dbraw/zinc/23/88/21/572238821.db2.gz	YHDXHAVKJPDMFM-QMMMGPOBSA-N	-1	3	198.222	1.321	10	30		ADEEHM
Cc1cccc(-c2nc(CC#N)n[n-]2)n1	70584208	572238880	/nfs/dbraw/zinc/23/88/80/572238880.db2.gz	FUQSIWWXWHQJGM-UHFFFAOYSA-N	-1	3	199.217	1.241	10	30		ADEEHM
Cc1cccc(-c2nnc(CC#N)[n-]2)n1	70584208	572238882	/nfs/dbraw/zinc/23/88/82/572238882.db2.gz	FUQSIWWXWHQJGM-UHFFFAOYSA-N	-1	3	199.217	1.241	10	30		ADEEHM
Cc1cccc(-c2n[n-]c(CC#N)n2)n1	70584208	572238884	/nfs/dbraw/zinc/23/88/84/572238884.db2.gz	FUQSIWWXWHQJGM-UHFFFAOYSA-N	-1	3	199.217	1.241	10	30		ADEEHM
CC[C@@H](C)[C@@H](C)C(=O)N[O-]	197970548	572249405	/nfs/dbraw/zinc/24/94/05/572249405.db2.gz	HMUCGZYUAQIBQJ-PHDIDXHHSA-N	-1	3	145.202	1.174	10	30		ADEEHM
CC[C@@H](C)[C@H](C)C(=O)N[O-]	197970555	572249752	/nfs/dbraw/zinc/24/97/52/572249752.db2.gz	HMUCGZYUAQIBQJ-RITPCOANSA-N	-1	3	145.202	1.174	10	30		ADEEHM
CC[C@H](C)[C@@H](C)C(=O)N[O-]	197970551	572250106	/nfs/dbraw/zinc/25/01/06/572250106.db2.gz	HMUCGZYUAQIBQJ-NTSWFWBYSA-N	-1	3	145.202	1.174	10	30		ADEEHM
CC[C@H](C)[C@H](C)C(=O)N[O-]	197970558	572250213	/nfs/dbraw/zinc/25/02/13/572250213.db2.gz	HMUCGZYUAQIBQJ-WDSKDSINSA-N	-1	3	145.202	1.174	10	30		ADEEHM
CCCC=NN=c1cc[n-]n1C	307974691	572327268	/nfs/dbraw/zinc/32/72/68/572327268.db2.gz	JXULKOIJFPUOBQ-UHFFFAOYSA-N	-1	3	166.228	1.040	10	30		ADEEHM
O=C([O-])CCCC/N=C/c1ccc[nH]1	238621590	572331049	/nfs/dbraw/zinc/33/10/49/572331049.db2.gz	YUAFCQQTXSAUMN-DHZHZOJOSA-N	-1	3	194.234	1.689	10	30		ADEEHM
C=CCNCc1cc(F)c([O-])c(F)c1	86894510	572333754	/nfs/dbraw/zinc/33/37/54/572333754.db2.gz	XDUGHZJBSNKSAM-UHFFFAOYSA-N	-1	3	199.200	1.946	10	30		ADEEHM
COc1cccc(C(C)=N[O-])c1N	307980907	572334059	/nfs/dbraw/zinc/33/40/59/572334059.db2.gz	FJGJDZFEPJZKSN-UHFFFAOYSA-N	-1	3	180.207	1.476	10	30		ADEEHM
N#Cc1cc2c(c(C#N)c1[O-])[C@H](N)CC2	238635725	572334094	/nfs/dbraw/zinc/33/40/94/572334094.db2.gz	MIQOJDCMINVWQQ-SECBINFHSA-N	-1	3	199.213	1.082	10	30		ADEEHM
N#Cc1cc2c(c(C#N)c1[O-])[C@@H](N)CC2	238624207	572334238	/nfs/dbraw/zinc/33/42/38/572334238.db2.gz	MIQOJDCMINVWQQ-VIFPVBQESA-N	-1	3	199.213	1.082	10	30		ADEEHM
C=C(Cl)COC([O-])=NC(=O)CC	238208259	572336798	/nfs/dbraw/zinc/33/67/98/572336798.db2.gz	HRBRCBJZGVRSIK-UHFFFAOYSA-N	-1	3	191.614	1.402	10	30		ADEEHM
C=C(Cl)COC(=O)[N-]C(=O)CC	238208259	572336801	/nfs/dbraw/zinc/33/68/01/572336801.db2.gz	HRBRCBJZGVRSIK-UHFFFAOYSA-N	-1	3	191.614	1.402	10	30		ADEEHM
CCc1cc(=S)n(CCC#N)[n-]1	52305248	572340088	/nfs/dbraw/zinc/34/00/88/572340088.db2.gz	ILJZFILICDRJAX-UHFFFAOYSA-N	-1	3	181.264	1.648	10	30		ADEEHM
CCCCC[C@@H]1CC(=C[O-])C(=O)O1	238220424	572355860	/nfs/dbraw/zinc/35/58/60/572355860.db2.gz	QSTBCARDFIBRDO-DTWKUNHWSA-N	-1	3	184.235	1.697	10	30		ADEEHM
Cc1csc2[n-]cc(C#N)c(=O)c12	141012002	572364475	/nfs/dbraw/zinc/36/44/75/572364475.db2.gz	ATBJXDSXNIXXNQ-UHFFFAOYSA-N	-1	3	190.227	1.770	10	30		ADEEHM
C=CCCC1(C(=O)[N-]OC)CC1	307999243	572365615	/nfs/dbraw/zinc/36/56/15/572365615.db2.gz	YIBZIUUTNZCCSY-UHFFFAOYSA-N	-1	3	169.224	1.410	10	30		ADEEHM
C[C@@H](CCNCCC#N)CCC(=O)[O-]	83682147	572372950	/nfs/dbraw/zinc/37/29/50/572372950.db2.gz	WUOPVPZIKHUZDF-SECBINFHSA-N	-1	3	198.266	1.381	10	30		ADEEHM
C[C@H](CCNCCC#N)CCC(=O)[O-]	83682146	572373029	/nfs/dbraw/zinc/37/30/29/572373029.db2.gz	WUOPVPZIKHUZDF-VIFPVBQESA-N	-1	3	198.266	1.381	10	30		ADEEHM
C=CC[N-]C(=S)OCCCC	238221615	572374134	/nfs/dbraw/zinc/37/41/34/572374134.db2.gz	HSWQEFCXINYTDI-UHFFFAOYSA-N	-1	3	173.281	1.864	10	30		ADEEHM
CCCCC[C@@H]1CC(=C[O-])C(=O)O1	238221453	572375135	/nfs/dbraw/zinc/37/51/35/572375135.db2.gz	QSTBCARDFIBRDO-RKDXNWHRSA-N	-1	3	184.235	1.697	10	30		ADEEHM
COC=CC(=O)C=C([O-])C(F)(F)F	308004874	572379577	/nfs/dbraw/zinc/37/95/77/572379577.db2.gz	BGSSLIWRZGTDFQ-BXAWZMCCSA-N	-1	3	196.124	1.720	10	30		ADEEHM
CCC(=O)C(C#N)=C([O-])CC	196777649	572380028	/nfs/dbraw/zinc/38/00/28/572380028.db2.gz	ALDNJDNXINTYES-UHFFFAOYSA-N	-1	3	153.181	1.084	10	30		ADEEHM
CCCCCC[C@H](O)CC(=O)N[O-]	238224230	572380307	/nfs/dbraw/zinc/38/03/07/572380307.db2.gz	JJVFXSLCPXPLFX-QMMMGPOBSA-N	-1	3	189.255	1.213	10	30		ADEEHM
C=CCNc1nc(C(C)=N[O-])cs1	308004930	572380667	/nfs/dbraw/zinc/38/06/67/572380667.db2.gz	BJPRFKZSCLBOCY-UHFFFAOYSA-N	-1	3	197.263	1.939	10	30		ADEEHM
COC=CC(=O)C=C([O-])C(F)(F)F	308004878	572381609	/nfs/dbraw/zinc/38/16/09/572381609.db2.gz	BGSSLIWRZGTDFQ-WJPDYIDTSA-N	-1	3	196.124	1.720	10	30		ADEEHM
COC=CC(=O)C=C([O-])C(F)(F)F	308004877	572381628	/nfs/dbraw/zinc/38/16/28/572381628.db2.gz	BGSSLIWRZGTDFQ-MGLVMYNNSA-N	-1	3	196.124	1.720	10	30		ADEEHM
C#CCN[C@@](CC)(CCCC)C(=O)[O-]	68986323	572384305	/nfs/dbraw/zinc/38/43/05/572384305.db2.gz	MOSUSFNMYQTIPI-NSHDSACASA-N	-1	3	197.278	1.633	10	30		ADEEHM
C#C[C@H](Nc1cc(=O)[n-]cn1)C(C)C	300976120	572389675	/nfs/dbraw/zinc/38/96/75/572389675.db2.gz	STOQNQUFDWDZMN-QMMMGPOBSA-N	-1	3	191.234	1.252	10	30		ADEEHM
C#CCNc1ccc([O-])cc1[N+](=O)[O-]	68990751	572393135	/nfs/dbraw/zinc/39/31/35/572393135.db2.gz	KHHJUKMUWXYYOY-UHFFFAOYSA-N	-1	3	192.174	1.346	10	30		ADEEHM
CC#CCSc1nc([O-])cs1	307206646	572410941	/nfs/dbraw/zinc/41/09/41/572410941.db2.gz	LMOPIBQBXRQQFQ-UHFFFAOYSA-N	-1	3	185.273	1.372	10	30		ADEEHM
C=C1CCN(CC(=C)C(=O)[O-])CC1	307231046	572425511	/nfs/dbraw/zinc/42/55/11/572425511.db2.gz	BUMBENLEKHXOOQ-UHFFFAOYSA-N	-1	3	181.235	1.279	10	30		ADEEHM
C=CCSc1ccc(=O)[n-]n1	307298402	572427732	/nfs/dbraw/zinc/42/77/32/572427732.db2.gz	ADUNENCTQZZOEO-UHFFFAOYSA-N	-1	3	168.221	1.048	10	30		ADEEHM
[O-]N=Cc1ccccc1NC=NO	308020256	572428447	/nfs/dbraw/zinc/42/84/47/572428447.db2.gz	SADMSKQPYPOFNY-UHFFFAOYSA-N	-1	3	179.179	1.324	10	30		ADEEHM
COCc1csc(C=N[O-])c1	687827610	572428812	/nfs/dbraw/zinc/42/88/12/572428812.db2.gz	GCJUMBLBGUVLSN-UHFFFAOYSA-N	-1	3	171.221	1.703	10	30		ADEEHM
C=CCCc1c(/C=N/[O-])n[nH]c1C	308022077	572431813	/nfs/dbraw/zinc/43/18/13/572431813.db2.gz	OFDMKEFNUAGLFN-UXBLZVDNSA-N	-1	3	179.223	1.645	10	30		ADEEHM
C#CCN(CC(=O)[O-])[C@@H](C)C1(C)CC1	87368481	572432030	/nfs/dbraw/zinc/43/20/30/572432030.db2.gz	BXZGUIYINILCAM-VIFPVBQESA-N	-1	3	195.262	1.195	10	30		ADEEHM
C#CCN(CC(=O)[O-])[C@H](C)C1(C)CC1	87368485	572434021	/nfs/dbraw/zinc/43/40/21/572434021.db2.gz	BXZGUIYINILCAM-SECBINFHSA-N	-1	3	195.262	1.195	10	30		ADEEHM
C#CCO[N-]C(=O)C=C1CCCC1	307386593	572437637	/nfs/dbraw/zinc/43/76/37/572437637.db2.gz	BBZFCJZUXDTZAX-UHFFFAOYSA-N	-1	3	179.219	1.168	10	30		ADEEHM
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CCCCC1=CC(=C[O-])C(=O)O1	238240979	572445304	/nfs/dbraw/zinc/44/53/04/572445304.db2.gz	PQEROEDTCWVCCJ-ZETCQYMHSA-N	-1	3	168.192	1.432	10	30		ADEEHM
CCCCSC(=C[O-])C(=O)OC	238247924	572452628	/nfs/dbraw/zinc/45/26/28/572452628.db2.gz	WYWVSLYGEBUAMO-ZETCQYMHSA-N	-1	3	190.264	1.260	10	30		ADEEHM
CN(CCC(=O)[O-])CC1(CC#N)CC1	83854773	572446033	/nfs/dbraw/zinc/44/60/33/572446033.db2.gz	VIELNHCWNYRORT-UHFFFAOYSA-N	-1	3	196.250	1.087	10	30		ADEEHM
CCCCC[C@H]1CC(=C[O-])C(=O)O1	238242224	572446544	/nfs/dbraw/zinc/44/65/44/572446544.db2.gz	QSTBCARDFIBRDO-IUCAKERBSA-N	-1	3	184.235	1.697	10	30		ADEEHM
CCCCC1=CC(=C[O-])C(=O)O1	238241399	572446837	/nfs/dbraw/zinc/44/68/37/572446837.db2.gz	PQEROEDTCWVCCJ-SSDOTTSWSA-N	-1	3	168.192	1.432	10	30		ADEEHM
C#CCNCc1cc(C(=O)[O-])cs1	87414708	572451875	/nfs/dbraw/zinc/45/18/75/572451875.db2.gz	KJLBAYPRQXWQQP-UHFFFAOYSA-N	-1	3	195.243	1.169	10	30		ADEEHM
C=CCNCc1cc(C(=O)[O-])cs1	87414709	572452299	/nfs/dbraw/zinc/45/22/99/572452299.db2.gz	AOQFWLZLAPKQOS-UHFFFAOYSA-N	-1	3	197.259	1.722	10	30		ADEEHM
C=CC[N-]C(=S)O[C@H](C)CC	238259182	572474777	/nfs/dbraw/zinc/47/47/77/572474777.db2.gz	PDKUOPDQIAESGL-SSDOTTSWSA-N	-1	3	173.281	1.862	10	30		ADEEHM
C#C[C@@H](Nc1cc(=O)[n-]cn1)C(C)C	300976119	572479321	/nfs/dbraw/zinc/47/93/21/572479321.db2.gz	STOQNQUFDWDZMN-MRVPVSSYSA-N	-1	3	191.234	1.252	10	30		ADEEHM
C=CC(C)(C)Cn1c(=O)[n-][nH]c1=S	307331082	572479523	/nfs/dbraw/zinc/47/95/23/572479523.db2.gz	OOGXUIBLUXZMET-UHFFFAOYSA-N	-1	3	199.279	1.072	10	30		ADEEHM
C=CCc1c(C#N)ccc(N)c1[O-]	141448689	572480421	/nfs/dbraw/zinc/48/04/21/572480421.db2.gz	MECHAOIGADOFTC-UHFFFAOYSA-N	-1	3	174.203	1.575	10	30		ADEEHM
CC[C@H](C#N)C(=O)[N-]c1cc(C)no1	44809061	572481945	/nfs/dbraw/zinc/48/19/45/572481945.db2.gz	JSBARFILKUHGNZ-SSDOTTSWSA-N	-1	3	193.206	1.471	10	30		ADEEHM
CC[C@@H](C#N)C(=O)[N-]c1cc(C)no1	44809060	572482575	/nfs/dbraw/zinc/48/25/75/572482575.db2.gz	JSBARFILKUHGNZ-ZETCQYMHSA-N	-1	3	193.206	1.471	10	30		ADEEHM
C[C@@H](CC#N)N(C)[C@H](C(=O)[O-])C1CC1	84094844	572486193	/nfs/dbraw/zinc/48/61/93/572486193.db2.gz	ZDYUJBFWNPXKRO-CBAPKCEASA-N	-1	3	196.250	1.084	10	30		ADEEHM
C[C@H](CC#N)N(C)[C@H](C(=O)[O-])C1CC1	84094847	572488381	/nfs/dbraw/zinc/48/83/81/572488381.db2.gz	ZDYUJBFWNPXKRO-APPZFPTMSA-N	-1	3	196.250	1.084	10	30		ADEEHM
C=C[C@H](CCC)OC([O-])=NC(N)=O	238267171	572492226	/nfs/dbraw/zinc/49/22/26/572492226.db2.gz	AMRIRAXJYYNRTG-ZCFIWIBFSA-N	-1	3	186.211	1.146	10	30		ADEEHM
C=C[C@H](CCC)OC(=O)N=C(N)[O-]	238267171	572492230	/nfs/dbraw/zinc/49/22/30/572492230.db2.gz	AMRIRAXJYYNRTG-ZCFIWIBFSA-N	-1	3	186.211	1.146	10	30		ADEEHM
C=C[C@H](CCC)OC(=O)[N-]C(N)=O	238267171	572492231	/nfs/dbraw/zinc/49/22/31/572492231.db2.gz	AMRIRAXJYYNRTG-ZCFIWIBFSA-N	-1	3	186.211	1.146	10	30		ADEEHM
Nc1ccc(C=N[O-])c(Cl)c1	307778765	572504406	/nfs/dbraw/zinc/50/44/06/572504406.db2.gz	IAFXVDXZHOAUHV-UHFFFAOYSA-N	-1	3	170.599	1.730	10	30		ADEEHM
C[C@H](C=N[O-])N(C)Cc1ccns1	714465439	572506893	/nfs/dbraw/zinc/50/68/93/572506893.db2.gz	FIKYEMVZJVBPKE-SSDOTTSWSA-N	-1	3	199.279	1.423	10	30		ADEEHM
C[C@@H](C=N[O-])N(C)Cc1ccns1	714465441	572507897	/nfs/dbraw/zinc/50/78/97/572507897.db2.gz	FIKYEMVZJVBPKE-ZETCQYMHSA-N	-1	3	199.279	1.423	10	30		ADEEHM
C=CC[C@H]1CC(=O)C(C)=C1[O-]	196485121	572508421	/nfs/dbraw/zinc/50/84/21/572508421.db2.gz	IIPCFQDJTVNOPW-RQJHMYQMSA-N	-1	3	152.193	1.357	10	30		ADEEHM
N#Cc1[nH]c2c([O-])cccc2c1N	107124186	572510846	/nfs/dbraw/zinc/51/08/46/572510846.db2.gz	YJUMTJGLGUEPPZ-UHFFFAOYSA-N	-1	3	173.175	1.327	10	30		ADEEHM
C=C[C@](C)(CC)OC([O-])=NC(N)=O	238292114	572530950	/nfs/dbraw/zinc/53/09/50/572530950.db2.gz	BJFREORURWOYCD-MRVPVSSYSA-N	-1	3	186.211	1.146	10	30		ADEEHM
C=C[C@](C)(CC)OC(=O)N=C(N)[O-]	238292114	572530953	/nfs/dbraw/zinc/53/09/53/572530953.db2.gz	BJFREORURWOYCD-MRVPVSSYSA-N	-1	3	186.211	1.146	10	30		ADEEHM
C=C[C@](C)(CC)OC(=O)[N-]C(N)=O	238292114	572530954	/nfs/dbraw/zinc/53/09/54/572530954.db2.gz	BJFREORURWOYCD-MRVPVSSYSA-N	-1	3	186.211	1.146	10	30		ADEEHM
Cn1nc(C#N)c2ccc([O-])cc21	250799300	572533921	/nfs/dbraw/zinc/53/39/21/572533921.db2.gz	BYUPIQXHCSHDFK-UHFFFAOYSA-N	-1	3	173.175	1.151	10	30		ADEEHM
C=CCN[C@H](C)c1ccc(C(=O)[O-])o1	232423818	572534014	/nfs/dbraw/zinc/53/40/14/572534014.db2.gz	IMLKEDMDXGQYQJ-SSDOTTSWSA-N	-1	3	195.218	1.814	10	30		ADEEHM
Cn1nc2cccc([O-])c2c1CC#N	250806410	572534622	/nfs/dbraw/zinc/53/46/22/572534622.db2.gz	PESBLGVUAMIHPF-UHFFFAOYSA-N	-1	3	187.202	1.345	10	30		ADEEHM
Cn1[n-]c2cc(=O)ccc-2c1C#N	250801195	572535983	/nfs/dbraw/zinc/53/59/83/572535983.db2.gz	FUHLXWSDWKHLEJ-UHFFFAOYSA-N	-1	3	173.175	1.151	10	30		ADEEHM
Cn1nc2cc([O-])ccc2c1C#N	250801195	572535986	/nfs/dbraw/zinc/53/59/86/572535986.db2.gz	FUHLXWSDWKHLEJ-UHFFFAOYSA-N	-1	3	173.175	1.151	10	30		ADEEHM
CCOc1cc(C=N[O-])ccc1OC	250375992	572536650	/nfs/dbraw/zinc/53/66/50/572536650.db2.gz	FVYXOGUMKIMTAT-UHFFFAOYSA-N	-1	3	195.218	1.902	10	30		ADEEHM
Cc1cnc(-c2ncc(CC#N)[n-]2)o1	74278146	572539504	/nfs/dbraw/zinc/53/95/04/572539504.db2.gz	BNSNCZVISQGZKQ-UHFFFAOYSA-N	-1	3	188.190	1.439	10	30		ADEEHM
Cc1cnc(-c2nc(CC#N)c[n-]2)o1	74278146	572539506	/nfs/dbraw/zinc/53/95/06/572539506.db2.gz	BNSNCZVISQGZKQ-UHFFFAOYSA-N	-1	3	188.190	1.439	10	30		ADEEHM
Cc1coc(-c2ncc(CC#N)[n-]2)n1	74278117	572539648	/nfs/dbraw/zinc/53/96/48/572539648.db2.gz	JOKYGOHIZHVZAC-UHFFFAOYSA-N	-1	3	188.190	1.439	10	30		ADEEHM
Cc1coc(-c2nc(CC#N)c[n-]2)n1	74278117	572539652	/nfs/dbraw/zinc/53/96/52/572539652.db2.gz	JOKYGOHIZHVZAC-UHFFFAOYSA-N	-1	3	188.190	1.439	10	30		ADEEHM
Cc1nccc(N(C)[C@@H](C)C=N[O-])n1	714486754	572539743	/nfs/dbraw/zinc/53/97/43/572539743.db2.gz	YVAFXELEUJRSRH-ZETCQYMHSA-N	-1	3	194.238	1.070	10	30		ADEEHM
Cc1nccc(N(C)[C@H](C)C=N[O-])n1	714486753	572540115	/nfs/dbraw/zinc/54/01/15/572540115.db2.gz	YVAFXELEUJRSRH-SSDOTTSWSA-N	-1	3	194.238	1.070	10	30		ADEEHM
C=C[C@@](C)(CC)OC([O-])=NC(N)=O	238299509	572540236	/nfs/dbraw/zinc/54/02/36/572540236.db2.gz	BJFREORURWOYCD-QMMMGPOBSA-N	-1	3	186.211	1.146	10	30		ADEEHM
C=C[C@@](C)(CC)OC(=O)N=C(N)[O-]	238299509	572540238	/nfs/dbraw/zinc/54/02/38/572540238.db2.gz	BJFREORURWOYCD-QMMMGPOBSA-N	-1	3	186.211	1.146	10	30		ADEEHM
C=C[C@@](C)(CC)OC(=O)[N-]C(N)=O	238299509	572540242	/nfs/dbraw/zinc/54/02/42/572540242.db2.gz	BJFREORURWOYCD-QMMMGPOBSA-N	-1	3	186.211	1.146	10	30		ADEEHM
Cc1cc(-c2cc(CC#N)[n-]n2)on1	74278213	572540334	/nfs/dbraw/zinc/54/03/34/572540334.db2.gz	GCEMSUIDVJDTPO-UHFFFAOYSA-N	-1	3	188.190	1.439	10	30		ADEEHM
CCCCC[C@@H](O)C=N[O-]	307803679	572550994	/nfs/dbraw/zinc/55/09/94/572550994.db2.gz	ANLUDECFANOTOE-SSDOTTSWSA-N	-1	3	145.202	1.388	10	30		ADEEHM
N#CC=C([O-])c1c[nH]c2ncncc12	74280712	572546442	/nfs/dbraw/zinc/54/64/42/572546442.db2.gz	CVUZIOPVSZTFAV-UHFFFAOYSA-N	-1	3	186.174	1.054	10	30		ADEEHM
CCCN=Cc1cc(=O)[n-]c(=S)[nH]1	308060846	572550687	/nfs/dbraw/zinc/55/06/87/572550687.db2.gz	RYUZACFYZRCQPY-UITAMQMPSA-N	-1	3	197.263	1.674	10	30		ADEEHM
C=C[C@H](CC)COC([O-])=NC(N)=O	238311221	572550873	/nfs/dbraw/zinc/55/08/73/572550873.db2.gz	YVPODMAZSJKFFK-ZCFIWIBFSA-N	-1	3	186.211	1.004	10	30		ADEEHM
C=C[C@H](CC)COC(=O)N=C(N)[O-]	238311221	572550876	/nfs/dbraw/zinc/55/08/76/572550876.db2.gz	YVPODMAZSJKFFK-ZCFIWIBFSA-N	-1	3	186.211	1.004	10	30		ADEEHM
C=C[C@H](CC)COC(=O)[N-]C(N)=O	238311221	572550879	/nfs/dbraw/zinc/55/08/79/572550879.db2.gz	YVPODMAZSJKFFK-ZCFIWIBFSA-N	-1	3	186.211	1.004	10	30		ADEEHM
CCCCC[C@H](O)C=N[O-]	307803681	572552170	/nfs/dbraw/zinc/55/21/70/572552170.db2.gz	ANLUDECFANOTOE-ZETCQYMHSA-N	-1	3	145.202	1.388	10	30		ADEEHM
CC(=N[O-])[C@H](O)CC(C)C	307816696	572565845	/nfs/dbraw/zinc/56/58/45/572565845.db2.gz	UOHGZRYOMSBSAM-SSDOTTSWSA-N	-1	3	145.202	1.244	10	30		ADEEHM
Cc1[n-]c(=O)c(C)c(C#N)c1C	45823865	572568181	/nfs/dbraw/zinc/56/81/81/572568181.db2.gz	PDEPTQSAVLVUSK-UHFFFAOYSA-N	-1	3	162.192	1.172	10	30		ADEEHM
[O-]N=C[C@H]1CCC=CO1	307824068	572569674	/nfs/dbraw/zinc/56/96/74/572569674.db2.gz	OWUBXLONGDHBIX-ZCFIWIBFSA-N	-1	3	127.143	1.139	10	30		ADEEHM
CC(C)/C=N\CCC(=O)[O-]	307829688	572573850	/nfs/dbraw/zinc/57/38/50/572573850.db2.gz	FQIMROANLRMBQX-YVMONPNESA-N	-1	3	143.186	1.188	10	30		ADEEHM
O=C(C#Cc1ccccc1)c1cnn[n-]1	306242295	572577210	/nfs/dbraw/zinc/57/72/10/572577210.db2.gz	AGFBSALLWXTDIJ-UHFFFAOYSA-N	-1	3	197.197	1.039	10	30		ADEEHM
O=C(C#Cc1ccccc1)c1c[n-]nn1	306242295	572577214	/nfs/dbraw/zinc/57/72/14/572577214.db2.gz	AGFBSALLWXTDIJ-UHFFFAOYSA-N	-1	3	197.197	1.039	10	30		ADEEHM
O=C(C#Cc1ccccc1)c1cn[n-]n1	306242295	572577217	/nfs/dbraw/zinc/57/72/17/572577217.db2.gz	AGFBSALLWXTDIJ-UHFFFAOYSA-N	-1	3	197.197	1.039	10	30		ADEEHM
C#CCON=C([O-])Oc1ccccc1	164588919	572581741	/nfs/dbraw/zinc/58/17/41/572581741.db2.gz	SLSRELQSHWNGHB-UHFFFAOYSA-N	-1	3	191.186	1.340	10	30		ADEEHM
C#CCO[N-]C(=O)Oc1ccccc1	164588919	572581744	/nfs/dbraw/zinc/58/17/44/572581744.db2.gz	SLSRELQSHWNGHB-UHFFFAOYSA-N	-1	3	191.186	1.340	10	30		ADEEHM
C#CCSCc1nc(C)cc(=O)[n-]1	306274365	572584842	/nfs/dbraw/zinc/58/48/42/572584842.db2.gz	BTRYZBDPHNDQRW-UHFFFAOYSA-N	-1	3	194.259	1.357	10	30		ADEEHM
C=C[C@H](N)c1ccccc1CC(=O)[O-]	114698325	572585454	/nfs/dbraw/zinc/58/54/54/572585454.db2.gz	JDFFHKWWZWVOMO-JTQLQIEISA-N	-1	3	191.230	1.500	10	30		ADEEHM
C=C(C)CC(=O)[N-]OCC	306288672	572589120	/nfs/dbraw/zinc/58/91/20/572589120.db2.gz	NBFZZJJXYOYQHY-UHFFFAOYSA-N	-1	3	143.186	1.020	10	30		ADEEHM
N#CCc1cc(F)cc2occ([O-])c12	714093733	572589452	/nfs/dbraw/zinc/58/94/52/572589452.db2.gz	ZJVHZAKARPXZLF-UHFFFAOYSA-N	-1	3	191.161	1.467	10	30		ADEEHM
COC(C)(C)CC(Cl)=N[O-]	307835135	572592210	/nfs/dbraw/zinc/59/22/10/572592210.db2.gz	OGPIIFQJGMCHFK-UHFFFAOYSA-N	-1	3	165.620	1.828	10	30		ADEEHM
C=CCCCC(=O)c1cnn[n-]1	87598814	572592230	/nfs/dbraw/zinc/59/22/30/572592230.db2.gz	LUKYODRKYYOEPC-UHFFFAOYSA-N	-1	3	165.196	1.344	10	30		ADEEHM
C=CCCCC(=O)c1c[n-]nn1	87598814	572592233	/nfs/dbraw/zinc/59/22/33/572592233.db2.gz	LUKYODRKYYOEPC-UHFFFAOYSA-N	-1	3	165.196	1.344	10	30		ADEEHM
C=CCCCC(=O)c1cn[n-]n1	87598814	572592238	/nfs/dbraw/zinc/59/22/38/572592238.db2.gz	LUKYODRKYYOEPC-UHFFFAOYSA-N	-1	3	165.196	1.344	10	30		ADEEHM
CCC(C)=CC(=O)c1cnn[n-]1	87598683	572593431	/nfs/dbraw/zinc/59/34/31/572593431.db2.gz	NXDPBQGEQHEOIF-UHFFFAOYSA-N	-1	3	165.196	1.344	10	30		ADEEHM
CCC(C)=CC(=O)c1c[n-]nn1	87598683	572593433	/nfs/dbraw/zinc/59/34/33/572593433.db2.gz	NXDPBQGEQHEOIF-UHFFFAOYSA-N	-1	3	165.196	1.344	10	30		ADEEHM
CCC(C)=CC(=O)c1cn[n-]n1	87598683	572593436	/nfs/dbraw/zinc/59/34/36/572593436.db2.gz	NXDPBQGEQHEOIF-UHFFFAOYSA-N	-1	3	165.196	1.344	10	30		ADEEHM
C#CCON=c1ccc(C#N)c(C)[n-]1	306324113	572603389	/nfs/dbraw/zinc/60/33/89/572603389.db2.gz	FQJDXKQDLJPPGZ-UHFFFAOYSA-N	-1	3	187.202	1.238	10	30		ADEEHM
CC(CC(=O)c1ccncc1)=N[O-]	255979756	572603464	/nfs/dbraw/zinc/60/34/64/572603464.db2.gz	IUTODWBSAVNRGS-UHFFFAOYSA-N	-1	3	178.191	1.505	10	30		ADEEHM
Cc1cc(C#N)cc2occ([O-])c12	714106019	572603862	/nfs/dbraw/zinc/60/38/62/572603862.db2.gz	AKAUWWNIEILNNS-UHFFFAOYSA-N	-1	3	173.171	1.442	10	30		ADEEHM
CC1CCC(C(=O)N[O-])CC1	123497413	572604485	/nfs/dbraw/zinc/60/44/85/572604485.db2.gz	XNPDBDSKOZKPMG-UHFFFAOYSA-N	-1	3	157.213	1.318	10	30		ADEEHM
Cc1nc(C=N[O-])c2ccccc2n1	255986808	572607746	/nfs/dbraw/zinc/60/77/46/572607746.db2.gz	LZGZYHSLIYWOKE-UHFFFAOYSA-N	-1	3	187.202	1.746	10	30		ADEEHM
O=C1SCCC1=C[O-]	140797381	572608338	/nfs/dbraw/zinc/60/83/38/572608338.db2.gz	SLORJQJVLJXSNI-ARJAWSKDSA-N	-1	3	130.168	1.092	10	30		ADEEHM
CCC(=N[O-])c1ccnc(C)n1	255987837	572608544	/nfs/dbraw/zinc/60/85/44/572608544.db2.gz	MLHICDQJTXXHPO-UHFFFAOYSA-N	-1	3	165.196	1.373	10	30		ADEEHM
C#CCO[N-]C(=O)[C@@H]1CCC[C@@H]1C	306365340	572610844	/nfs/dbraw/zinc/61/08/44/572610844.db2.gz	GSTDSIUMVCQGDN-DTWKUNHWSA-N	-1	3	181.235	1.104	10	30		ADEEHM
N#Cc1ccc2c(c1[O-])OCCC2=O	714110339	572611139	/nfs/dbraw/zinc/61/11/39/572611139.db2.gz	RLKJLYCMRWEWMG-UHFFFAOYSA-N	-1	3	189.170	1.229	10	30		ADEEHM
N#Cc1cc2c(cc1[O-])C(=O)CCO2	714110106	572612199	/nfs/dbraw/zinc/61/21/99/572612199.db2.gz	KTOOEHMEIBVYRO-UHFFFAOYSA-N	-1	3	189.170	1.229	10	30		ADEEHM
C#CCO[N-]C(=O)[C@@H]1CCC[C@H]1C	306365361	572613025	/nfs/dbraw/zinc/61/30/25/572613025.db2.gz	GSTDSIUMVCQGDN-RKDXNWHRSA-N	-1	3	181.235	1.104	10	30		ADEEHM
Cc1ccc2c([O-])coc2c1C#N	714112090	572613161	/nfs/dbraw/zinc/61/31/61/572613161.db2.gz	MZSLKAAQDFYWBE-UHFFFAOYSA-N	-1	3	173.171	1.442	10	30		ADEEHM
O=C(N[O-])[C@@H]1CCCC2(CC2)C1	606249928	572613248	/nfs/dbraw/zinc/61/32/48/572613248.db2.gz	ASYAIJFPXKEEDS-SSDOTTSWSA-N	-1	3	169.224	1.462	10	30		ADEEHM
CC(C)(C)[C@H]1C[C@@H]1C(=O)N[O-]	606247868	572613293	/nfs/dbraw/zinc/61/32/93/572613293.db2.gz	TVJMAVHNCDEILR-WDSKDSINSA-N	-1	3	157.213	1.174	10	30		ADEEHM
O=C(N[O-])C1CC2(CCC2)C1	606245045	572613724	/nfs/dbraw/zinc/61/37/24/572613724.db2.gz	FMOHWIBGCKJBEU-UHFFFAOYSA-N	-1	3	155.197	1.072	10	30		ADEEHM
CC(C)(C)[C@@H]1C[C@H]1C(=O)N[O-]	606247866	572613981	/nfs/dbraw/zinc/61/39/81/572613981.db2.gz	TVJMAVHNCDEILR-PHDIDXHHSA-N	-1	3	157.213	1.174	10	30		ADEEHM
CC(C)(C)[C@@H]1C[C@@H]1C(=O)N[O-]	606247865	572614216	/nfs/dbraw/zinc/61/42/16/572614216.db2.gz	TVJMAVHNCDEILR-NTSWFWBYSA-N	-1	3	157.213	1.174	10	30		ADEEHM
O=C(N[O-])c1cc(-c2ccco2)on1	606267297	572614223	/nfs/dbraw/zinc/61/42/23/572614223.db2.gz	KRMUKMKHLWTBTE-UHFFFAOYSA-N	-1	3	194.146	1.054	10	30		ADEEHM
N#Cc1cc([O-])c2c(c1)C(=O)CCO2	714110595	572614764	/nfs/dbraw/zinc/61/47/64/572614764.db2.gz	XSJGCVREZHTIJI-UHFFFAOYSA-N	-1	3	189.170	1.229	10	30		ADEEHM
C#Cc1ccc2occ([O-])c2c1	714112039	572615132	/nfs/dbraw/zinc/61/51/32/572615132.db2.gz	IWNKTSUWCJGLHR-UHFFFAOYSA-N	-1	3	158.156	1.243	10	30		ADEEHM
O=C(N[O-])[C@@H]1CCCC12CC2	606245328	572615190	/nfs/dbraw/zinc/61/51/90/572615190.db2.gz	UACVRJMMLPWLFE-LURJTMIESA-N	-1	3	155.197	1.072	10	30		ADEEHM
C=CCCC(=O)[N-]OC(C)(C)C	308074974	572615255	/nfs/dbraw/zinc/61/52/55/572615255.db2.gz	CZIZUKBFTNOQBN-UHFFFAOYSA-N	-1	3	171.240	1.799	10	30		ADEEHM
CC(C)(C)[C@H]1C[C@H]1C(=O)N[O-]	606247867	572616189	/nfs/dbraw/zinc/61/61/89/572616189.db2.gz	TVJMAVHNCDEILR-RITPCOANSA-N	-1	3	157.213	1.174	10	30		ADEEHM
O=C(N[O-])[C@H]1CCCC2(CC2)C1	606249929	572616209	/nfs/dbraw/zinc/61/62/09/572616209.db2.gz	ASYAIJFPXKEEDS-ZETCQYMHSA-N	-1	3	169.224	1.462	10	30		ADEEHM
C[C@@H]1CC[C@@](C)(C(=O)N[O-])C1(C)C	606258096	572617210	/nfs/dbraw/zinc/61/72/10/572617210.db2.gz	WARDBBHLWZUXFD-XCBNKYQSSA-N	-1	3	185.267	1.954	10	30		ADEEHM
O=C(N[O-])[C@H]1CCCSCC1	606253491	572619690	/nfs/dbraw/zinc/61/96/90/572619690.db2.gz	PBXQFBOUEKUHBV-LURJTMIESA-N	-1	3	175.253	1.025	10	30		ADEEHM
Cc1c(C#N)ccc2c([O-])coc12	714112380	572618366	/nfs/dbraw/zinc/61/83/66/572618366.db2.gz	YMUQOXDIGRQZHQ-UHFFFAOYSA-N	-1	3	173.171	1.442	10	30		ADEEHM
C#CCO[N-]C(=O)[C@H]1CCC[C@H]1C	306365330	572618389	/nfs/dbraw/zinc/61/83/89/572618389.db2.gz	GSTDSIUMVCQGDN-BDAKNGLRSA-N	-1	3	181.235	1.104	10	30		ADEEHM
C[C@@H]1CC[C@](C)(C(=O)N[O-])C1(C)C	606258094	572618415	/nfs/dbraw/zinc/61/84/15/572618415.db2.gz	WARDBBHLWZUXFD-GMSGAONNSA-N	-1	3	185.267	1.954	10	30		ADEEHM
CC(C)(C(=O)N[O-])C(F)(F)F	606251560	572618434	/nfs/dbraw/zinc/61/84/34/572618434.db2.gz	RBQXAZHUUPADSF-UHFFFAOYSA-N	-1	3	171.118	1.080	10	30		ADEEHM
C#Cc1cccc2c([O-])coc12	714112990	572618908	/nfs/dbraw/zinc/61/89/08/572618908.db2.gz	CTTQEXCPIVQNCK-UHFFFAOYSA-N	-1	3	158.156	1.243	10	30		ADEEHM
C[C@H]1CC[C@](C)(C(=O)N[O-])C1(C)C	606258095	572619046	/nfs/dbraw/zinc/61/90/46/572619046.db2.gz	WARDBBHLWZUXFD-OIBJUYFYSA-N	-1	3	185.267	1.954	10	30		ADEEHM
O=C(N[O-])[C@@H]1CCCSCC1	606253492	572619496	/nfs/dbraw/zinc/61/94/96/572619496.db2.gz	PBXQFBOUEKUHBV-ZCFIWIBFSA-N	-1	3	175.253	1.025	10	30		ADEEHM
CCC(CC)(CC)C(=O)N[O-]	78139921	572620071	/nfs/dbraw/zinc/62/00/71/572620071.db2.gz	DMIMQFWCHFBVIY-UHFFFAOYSA-N	-1	3	159.229	1.708	10	30		ADEEHM
C=C1CCN(C/C(C)=C/C(=O)[O-])CC1	307631446	572620067	/nfs/dbraw/zinc/62/00/67/572620067.db2.gz	APIIRLXKZHOOTO-JXMROGBWSA-N	-1	3	195.262	1.669	10	30		ADEEHM
C#CCO[N-]C(=O)[C@H]1CCC[C@@H]1C	306365350	572621717	/nfs/dbraw/zinc/62/17/17/572621717.db2.gz	GSTDSIUMVCQGDN-IUCAKERBSA-N	-1	3	181.235	1.104	10	30		ADEEHM
C=CCCC[N-]C(=O)C(F)(F)Cl	308078214	572625871	/nfs/dbraw/zinc/62/58/71/572625871.db2.gz	HAMWYNITOLIVSW-UHFFFAOYSA-N	-1	3	197.612	1.900	10	30		ADEEHM
CC(=NN)c1ccc([O-])cc1F	388411514	572633322	/nfs/dbraw/zinc/63/33/22/572633322.db2.gz	YCYUWISQQQERTB-UHFFFAOYSA-N	-1	3	168.171	1.214	10	30		ADEEHM
Cc1oc2c(=O)[n-]cnc2c1C#N	74308996	572633606	/nfs/dbraw/zinc/63/36/06/572633606.db2.gz	JOGYQRPCRNHEIK-UHFFFAOYSA-N	-1	3	175.147	1.109	10	30		ADEEHM
C=C(C)CN(C)/C=C/C(=O)[O-]	307653002	572634133	/nfs/dbraw/zinc/63/41/33/572634133.db2.gz	KRPAGRZMPWKTIN-SNAWJCMRSA-N	-1	3	155.197	1.093	10	30		ADEEHM
C=C(C)CC(=O)[N-]C1=NCCS1	307690111	572637031	/nfs/dbraw/zinc/63/70/31/572637031.db2.gz	HOPBEVQEOXWLGD-UHFFFAOYSA-N	-1	3	184.264	1.172	10	30		ADEEHM
Cc1nc2c(C#N)coc2c(=O)[n-]1	74308997	572636538	/nfs/dbraw/zinc/63/65/38/572636538.db2.gz	NLDZJJVQRWJXTN-UHFFFAOYSA-N	-1	3	175.147	1.109	10	30		ADEEHM
C#CCON=c1[n-]c(C)ccc1C#N	307673888	572643161	/nfs/dbraw/zinc/64/31/61/572643161.db2.gz	CCDNRUUEQXXOAO-UHFFFAOYSA-N	-1	3	187.202	1.238	10	30		ADEEHM
CON=CCSc1ncccc1[O-]	256012766	572643231	/nfs/dbraw/zinc/64/32/31/572643231.db2.gz	YCWGKFBXLAZHMS-UHFFFAOYSA-N	-1	3	198.247	1.512	10	30		ADEEHM
C=C(CC)CN1CC(CC(=O)[O-])C1	85060212	572643329	/nfs/dbraw/zinc/64/33/29/572643329.db2.gz	LAEQFZZHBWZTTD-UHFFFAOYSA-N	-1	3	183.251	1.359	10	30		ADEEHM
C#CCN[C@@](C)(CCCCC)C(=O)[O-]	87648919	572643480	/nfs/dbraw/zinc/64/34/80/572643480.db2.gz	IDRPNQVRPZZCJD-NSHDSACASA-N	-1	3	197.278	1.633	10	30		ADEEHM
C#CCN[C@](C)(CCCCC)C(=O)[O-]	87648920	572643627	/nfs/dbraw/zinc/64/36/27/572643627.db2.gz	IDRPNQVRPZZCJD-LLVKDONJSA-N	-1	3	197.278	1.633	10	30		ADEEHM
C=CCSc1cc(C)nc(=NN)[n-]1	307611215	572645047	/nfs/dbraw/zinc/64/50/47/572645047.db2.gz	GEOJOJWAIQSFFU-UHFFFAOYSA-N	-1	3	196.279	1.349	10	30		ADEEHM
Cc1cc2c([O-])coc2cc1C#N	714117300	572645457	/nfs/dbraw/zinc/64/54/57/572645457.db2.gz	VUCLRHAVRCZJIS-UHFFFAOYSA-N	-1	3	173.171	1.442	10	30		ADEEHM
Cc1c(C#N)ccc2occ([O-])c12	714117041	572649146	/nfs/dbraw/zinc/64/91/46/572649146.db2.gz	DYUUATDSQWWOJZ-UHFFFAOYSA-N	-1	3	173.171	1.442	10	30		ADEEHM
CC(C)(C)OC(=O)CC=N[O-]	307860079	572659962	/nfs/dbraw/zinc/65/99/62/572659962.db2.gz	ICAKPLQMLBCMHD-UHFFFAOYSA-N	-1	3	159.185	1.178	10	30		ADEEHM
C=C(C)CSc1nc([O-])cs1	306440882	572659086	/nfs/dbraw/zinc/65/90/86/572659086.db2.gz	NZCVIGOTFONZBT-UHFFFAOYSA-N	-1	3	187.289	1.925	10	30		ADEEHM
N#Cc1cncc(-c2ncccc2[O-])c1	156861398	572660167	/nfs/dbraw/zinc/66/01/67/572660167.db2.gz	NYWDKLASSDNIHN-UHFFFAOYSA-N	-1	3	197.197	1.721	10	30		ADEEHM
C[C@@H]1CCCN(CCC#N)[C@@H]1C(=O)[O-]	235286611	572661204	/nfs/dbraw/zinc/66/12/04/572661204.db2.gz	TWVFSRVUFMORNF-BDAKNGLRSA-N	-1	3	196.250	1.085	10	30		ADEEHM
C[C@@H](CC#N)NCCCCCC(=O)[O-]	238387492	572664081	/nfs/dbraw/zinc/66/40/81/572664081.db2.gz	PNWZJPQUXXZTJG-VIFPVBQESA-N	-1	3	198.266	1.523	10	30		ADEEHM
C#CCN[C@H](C)c1ccc([O-])cc1F	235189909	572665118	/nfs/dbraw/zinc/66/51/18/572665118.db2.gz	COWDQIUBYUICLM-MRVPVSSYSA-N	-1	3	193.221	1.815	10	30		ADEEHM
CCc1[n-]c2ocnc2c1C#N	74341750	572668294	/nfs/dbraw/zinc/66/82/94/572668294.db2.gz	GXBCXLQIWBCSFE-UHFFFAOYSA-N	-1	3	161.164	1.590	10	30		ADEEHM
N#Cc1cccc(-c2cnc[n-]c2=O)c1	236417417	572677593	/nfs/dbraw/zinc/67/75/93/572677593.db2.gz	QFQZWCODQOJREG-UHFFFAOYSA-N	-1	3	197.197	1.309	10	30		ADEEHM
CN1CCC(=N[O-])c2ccccc21	252465140	572679344	/nfs/dbraw/zinc/67/93/44/572679344.db2.gz	WCLMVRQMQZRRMU-UHFFFAOYSA-N	-1	3	176.219	1.705	10	30		ADEEHM
C=CCNCc1ncccc1[O-]	308093956	572679836	/nfs/dbraw/zinc/67/98/36/572679836.db2.gz	WLDIORYPFNGPIS-UHFFFAOYSA-N	-1	3	164.208	1.063	10	30		ADEEHM
C=C(Cl)CNCCCCC(=O)[O-]	236416807	572681595	/nfs/dbraw/zinc/68/15/95/572681595.db2.gz	HUMBCAKBVWNHFA-UHFFFAOYSA-N	-1	3	191.658	1.583	10	30		ADEEHM
C=C(CNCCC(F)(F)F)C(=O)[O-]	236422487	572686174	/nfs/dbraw/zinc/68/61/74/572686174.db2.gz	HZZVUKURZBPTAE-UHFFFAOYSA-N	-1	3	197.156	1.169	10	30		ADEEHM
C=C(CNCc1ccsc1)C(=O)[O-]	236423407	572689706	/nfs/dbraw/zinc/68/97/06/572689706.db2.gz	RVPPTRZALCWOMJ-UHFFFAOYSA-N	-1	3	197.259	1.479	10	30		ADEEHM
C=C(CN1CC=C(C)CC1)C(=O)[O-]	307604046	572690220	/nfs/dbraw/zinc/69/02/20/572690220.db2.gz	VDBJJNIDGRJCAK-UHFFFAOYSA-N	-1	3	181.235	1.279	10	30		ADEEHM
C=C(CNCc1ccoc1)C(=O)[O-]	236423389	572690672	/nfs/dbraw/zinc/69/06/72/572690672.db2.gz	CFRRXUJGRLEMEN-UHFFFAOYSA-N	-1	3	181.191	1.010	10	30		ADEEHM
NCC(=O)C=C([O-])c1cccs1	714532592	572699295	/nfs/dbraw/zinc/69/92/95/572699295.db2.gz	PYPNAEKAHZXYIC-GQCTYLIASA-N	-1	3	183.232	1.331	10	30		ADEEHM
N/C(=N/[O-])c1ccccc1OCCF	87775692	572710742	/nfs/dbraw/zinc/71/07/42/572710742.db2.gz	PAOQIVLMCUOFAQ-UHFFFAOYSA-N	-1	3	198.197	1.129	10	30		ADEEHM
COc1ccc(C=N[O-])c(N)c1	307881518	572717115	/nfs/dbraw/zinc/71/71/15/572717115.db2.gz	FKWCIJKUIRGPIU-UHFFFAOYSA-N	-1	3	166.180	1.086	10	30		ADEEHM
C#CC(C)(C)NC/C=C(/C)C(=O)[O-]	308098617	572717541	/nfs/dbraw/zinc/71/75/41/572717541.db2.gz	CMHZFYSHUORBNI-VURMDHGXSA-N	-1	3	181.235	1.019	10	30		ADEEHM
C=C(Cl)CN[C@H]1CC[C@H]1C(=O)[O-]	236434889	572718511	/nfs/dbraw/zinc/71/85/11/572718511.db2.gz	KODHMPIRVUXRSZ-RQJHMYQMSA-N	-1	3	189.642	1.192	10	30		ADEEHM
C=C(Cl)CN[C@@H]1CC[C@H]1C(=O)[O-]	236437860	572723807	/nfs/dbraw/zinc/72/38/07/572723807.db2.gz	KODHMPIRVUXRSZ-RNFRBKRXSA-N	-1	3	189.642	1.192	10	30		ADEEHM
CCC(=N[O-])c1ccc(O)c(OC)c1	254396279	572725407	/nfs/dbraw/zinc/72/54/07/572725407.db2.gz	NUXKXNFSANJLNY-UHFFFAOYSA-N	-1	3	195.218	1.989	10	30		ADEEHM
NN=Cc1cc2ccccc2cc1[O-]	254398707	572727006	/nfs/dbraw/zinc/72/70/06/572727006.db2.gz	PTQHDMHDANBFQB-UHFFFAOYSA-N	-1	3	186.214	1.838	10	30		ADEEHM
NCC(=N[O-])c1ccc(Cl)cc1	307885556	572728296	/nfs/dbraw/zinc/72/82/96/572728296.db2.gz	SOHVOBSVFSBXQA-UHFFFAOYSA-N	-1	3	184.626	1.477	10	30		ADEEHM
C#C[C@H](C)NC/C=C(\CC)C(=O)[O-]	308100466	572729971	/nfs/dbraw/zinc/72/99/71/572729971.db2.gz	CTEDKAUVXSGHLO-CYXIBPNKSA-N	-1	3	181.235	1.019	10	30		ADEEHM
Cc1nc2c(s1)C(=N[O-])CCC2	254380310	572730403	/nfs/dbraw/zinc/73/04/03/572730403.db2.gz	MJPSCVJRLYCMOA-UHFFFAOYSA-N	-1	3	182.248	1.966	10	30		ADEEHM
C#C[C@@H](C)NC/C=C(\CC)C(=O)[O-]	308100467	572730974	/nfs/dbraw/zinc/73/09/74/572730974.db2.gz	CTEDKAUVXSGHLO-GTUWVTDSSA-N	-1	3	181.235	1.019	10	30		ADEEHM
C=C[C@@H](N)c1c(C)[nH]c(C)c1C(=O)[O-]	713740987	572733556	/nfs/dbraw/zinc/73/35/56/572733556.db2.gz	BLPFGRYARMYVMW-SSDOTTSWSA-N	-1	3	194.234	1.516	10	30		ADEEHM
C=CCC(CC=C)C(=O)N[O-]	307893973	572733895	/nfs/dbraw/zinc/73/38/95/572733895.db2.gz	HBNAQTIOXIBETJ-UHFFFAOYSA-N	-1	3	155.197	1.260	10	30		ADEEHM
C=CCCNCc1cc(C(=O)[O-])no1	236449861	572734971	/nfs/dbraw/zinc/73/49/71/572734971.db2.gz	FGOSRALISVKNPC-UHFFFAOYSA-N	-1	3	196.206	1.039	10	30		ADEEHM
O=C1CCC([O-])=C1[C@@H]1CCCO1	196666728	572734992	/nfs/dbraw/zinc/73/49/92/572734992.db2.gz	VMHYODXFWYGLDS-QMMMGPOBSA-N	-1	3	168.192	1.340	10	30		ADEEHM
C#C[C@H](CC)NC/C(C)=C\C(=O)[O-]	308108339	572735483	/nfs/dbraw/zinc/73/54/83/572735483.db2.gz	JIDMVYIBPLBHSD-JGAIRUGNSA-N	-1	3	181.235	1.019	10	30		ADEEHM
C=C[C@H](N)c1c(C)[nH]c(C)c1C(=O)[O-]	713740992	572735693	/nfs/dbraw/zinc/73/56/93/572735693.db2.gz	BLPFGRYARMYVMW-ZETCQYMHSA-N	-1	3	194.234	1.516	10	30		ADEEHM
O=C1CCC([O-])=C1[C@H]1CCCO1	196666718	572736477	/nfs/dbraw/zinc/73/64/77/572736477.db2.gz	VMHYODXFWYGLDS-MRVPVSSYSA-N	-1	3	168.192	1.340	10	30		ADEEHM
CSc1nc(C=N[O-])ccc1C#N	254448451	572737919	/nfs/dbraw/zinc/73/79/19/572737919.db2.gz	GMPGRLCDLUWJOD-UHFFFAOYSA-N	-1	3	193.231	1.483	10	30		ADEEHM
C/N=C1/C(=N[O-])C=Cc2ccccc21	254478944	572738442	/nfs/dbraw/zinc/73/84/42/572738442.db2.gz	LDYFMFHZHVFVLP-AEEGDCQNSA-N	-1	3	186.214	1.963	10	30		ADEEHM
[O-]N=Cc1ccc2[nH]ccc2c1	254484280	572738489	/nfs/dbraw/zinc/73/84/89/572738489.db2.gz	HKNZDPSSEHCJLI-UHFFFAOYSA-N	-1	3	160.176	1.976	10	30		ADEEHM
C=CCCCOc1ccnc(=NN)[n-]1	87891555	572738635	/nfs/dbraw/zinc/73/86/35/572738635.db2.gz	PCFSIZYFUHYVPR-UHFFFAOYSA-N	-1	3	194.238	1.107	10	30		ADEEHM
[O-]N=Cc1ccccc1-n1cccn1	254513708	572740306	/nfs/dbraw/zinc/74/03/06/572740306.db2.gz	MWWOVHKZIWVRCY-UHFFFAOYSA-N	-1	3	187.202	1.680	10	30		ADEEHM
CC(=N[O-])C(=O)NCc1ccccc1	254503702	572741247	/nfs/dbraw/zinc/74/12/47/572741247.db2.gz	AVHVABBKNTZNIQ-UHFFFAOYSA-N	-1	3	192.218	1.153	10	30		ADEEHM
C=C(Cl)CN[C@@H]1CC[C@@H]1C(=O)[O-]	236453855	572741275	/nfs/dbraw/zinc/74/12/75/572741275.db2.gz	KODHMPIRVUXRSZ-NKWVEPMBSA-N	-1	3	189.642	1.192	10	30		ADEEHM
C/N=C1\C(=N[O-])C=Cc2ccccc21	254478945	572741581	/nfs/dbraw/zinc/74/15/81/572741581.db2.gz	LDYFMFHZHVFVLP-LHXROTDISA-N	-1	3	186.214	1.963	10	30		ADEEHM
O=C1CC(=N[O-])c2ccccc21	254498546	572741608	/nfs/dbraw/zinc/74/16/08/572741608.db2.gz	GEKYAOGASHLKQD-UHFFFAOYSA-N	-1	3	161.160	1.451	10	30		ADEEHM
C=CCN(CC=C)[C@H]1CC[C@@H]1C(=O)[O-]	87920593	572741691	/nfs/dbraw/zinc/74/16/91/572741691.db2.gz	LOZIGWZFNHUHBW-UWVGGRQHSA-N	-1	3	195.262	1.524	10	30		ADEEHM
C=CCN(CC=C)[C@@H]1CC[C@@H]1C(=O)[O-]	87920592	572741733	/nfs/dbraw/zinc/74/17/33/572741733.db2.gz	LOZIGWZFNHUHBW-VHSXEESVSA-N	-1	3	195.262	1.524	10	30		ADEEHM
[O-]N=Cc1ccc2[nH]cnc2c1	307899991	572741736	/nfs/dbraw/zinc/74/17/36/572741736.db2.gz	XUPJMKBSHKMEQM-UHFFFAOYSA-N	-1	3	161.164	1.371	10	30		ADEEHM
CCN=C([S-])NN=Cc1ccco1	254569755	572742354	/nfs/dbraw/zinc/74/23/54/572742354.db2.gz	SRSVSAGXHKFOOZ-UHFFFAOYSA-N	-1	3	197.263	1.509	10	30		ADEEHM
C=CCN(CC=C)[C@H]1CC[C@H]1C(=O)[O-]	87920595	572747267	/nfs/dbraw/zinc/74/72/67/572747267.db2.gz	LOZIGWZFNHUHBW-ZJUUUORDSA-N	-1	3	195.262	1.524	10	30		ADEEHM
C=CCN(CC=C)[C@@H]1CC[C@H]1C(=O)[O-]	87920594	572747503	/nfs/dbraw/zinc/74/75/03/572747503.db2.gz	LOZIGWZFNHUHBW-NXEZZACHSA-N	-1	3	195.262	1.524	10	30		ADEEHM
C=CCCCc1c(C)nc(C)[n-]c1=O	238511243	572751776	/nfs/dbraw/zinc/75/17/76/572751776.db2.gz	OFVNZKLLKYUTAN-UHFFFAOYSA-N	-1	3	192.262	1.895	10	30		ADEEHM
C#CCCNCc1occc1C(=O)[O-]	236466393	572756383	/nfs/dbraw/zinc/75/63/83/572756383.db2.gz	UVLHXFYZMBHLLC-UHFFFAOYSA-N	-1	3	193.202	1.091	10	30		ADEEHM
[O-]N=C1CCCc2c(O)cccc21	308112728	572756559	/nfs/dbraw/zinc/75/65/59/572756559.db2.gz	LAEVLPRUCUXDTD-UHFFFAOYSA-N	-1	3	177.203	1.907	10	30		ADEEHM
C=CCCNCc1occc1C(=O)[O-]	236466496	572756735	/nfs/dbraw/zinc/75/67/35/572756735.db2.gz	OAABWQTYVUZUGZ-UHFFFAOYSA-N	-1	3	195.218	1.644	10	30		ADEEHM
COC1(C=N[O-])CCCCC1	319405062	572760050	/nfs/dbraw/zinc/76/00/50/572760050.db2.gz	CLYMZTBTSRZZBA-UHFFFAOYSA-N	-1	3	157.213	1.796	10	30		ADEEHM
C#C[C@@H](CC)NC/C=C(\C)C(=O)[O-]	308111949	572762570	/nfs/dbraw/zinc/76/25/70/572762570.db2.gz	OUNFWYNNKGEXDX-ORZBULNSSA-N	-1	3	181.235	1.019	10	30		ADEEHM
CC(C)CCCC(CO)=N[O-]	307916356	572764767	/nfs/dbraw/zinc/76/47/67/572764767.db2.gz	WEFKEVVTXFKASO-UHFFFAOYSA-N	-1	3	159.229	1.635	10	30		ADEEHM
CC(=O)C=C([O-])C=Cc1ccco1	308111835	572764800	/nfs/dbraw/zinc/76/48/00/572764800.db2.gz	PAYZZSZDNXMQNP-SNAWJCMRSA-N	-1	3	178.187	1.841	10	30		ADEEHM
CCCCCC(=N[O-])[C@H](C)O	307915970	572765597	/nfs/dbraw/zinc/76/55/97/572765597.db2.gz	USPPYCHRXDFCNI-ZETCQYMHSA-N	-1	3	159.229	1.778	10	30		ADEEHM
CCCCCC(=N[O-])[C@@H](C)O	307915969	572766297	/nfs/dbraw/zinc/76/62/97/572766297.db2.gz	USPPYCHRXDFCNI-SSDOTTSWSA-N	-1	3	159.229	1.778	10	30		ADEEHM
[O-]N=C(CCCO)c1ccccc1	308117086	572774663	/nfs/dbraw/zinc/77/46/63/572774663.db2.gz	BLLYGOXVWWROQJ-UHFFFAOYSA-N	-1	3	179.219	1.637	10	30		ADEEHM
C#CCCNCc1ccoc1C(=O)[O-]	236474679	572778643	/nfs/dbraw/zinc/77/86/43/572778643.db2.gz	TWQUMOYHKGNWLI-UHFFFAOYSA-N	-1	3	193.202	1.091	10	30		ADEEHM
C=CCCC(=O)[N-]OC1CCC1	307928961	572779615	/nfs/dbraw/zinc/77/96/15/572779615.db2.gz	AYLOJMDIBLHAOB-UHFFFAOYSA-N	-1	3	169.224	1.553	10	30		ADEEHM
C=CCCNCc1ccoc1C(=O)[O-]	236474814	572779481	/nfs/dbraw/zinc/77/94/81/572779481.db2.gz	SRCBQKXWUCNPSM-UHFFFAOYSA-N	-1	3	195.218	1.644	10	30		ADEEHM
Nc1nc2c(s1)CCCC2=N[O-]	308119945	572779606	/nfs/dbraw/zinc/77/96/06/572779606.db2.gz	OMEHHQSZDIYDEA-UHFFFAOYSA-N	-1	3	183.236	1.240	10	30		ADEEHM
C#CCON=c1ncc(C)c(C)[n-]1	306874754	572782512	/nfs/dbraw/zinc/78/25/12/572782512.db2.gz	GJLYXGKPFSGADN-UHFFFAOYSA-N	-1	3	177.207	1.070	10	30		ADEEHM
C=C[C@](C)(CC)C(=O)N[O-]	307748866	572784096	/nfs/dbraw/zinc/78/40/96/572784096.db2.gz	DMUACYPZYRMQOY-SSDOTTSWSA-N	-1	3	143.186	1.094	10	30		ADEEHM
C#C[C@@](C)(CC)Nc1cc(=O)[n-]cn1	307733819	572784982	/nfs/dbraw/zinc/78/49/82/572784982.db2.gz	NYXGOPGDCOKTEQ-JTQLQIEISA-N	-1	3	191.234	1.396	10	30		ADEEHM
C=C(C)CO[N-]C(=O)C(=C)Cl	307701562	572788901	/nfs/dbraw/zinc/78/89/01/572788901.db2.gz	NOOGJUJJNWPAIC-UHFFFAOYSA-N	-1	3	175.615	1.363	10	30		ADEEHM
CC(=N[O-])[C@@H](C)n1cccn1	307767741	572789767	/nfs/dbraw/zinc/78/97/67/572789767.db2.gz	IJYBXQVTHVCMFA-SSDOTTSWSA-N	-1	3	153.185	1.294	10	30		ADEEHM
Cn1ncc(C#N)c1-c1ccccc1[O-]	238544658	572790027	/nfs/dbraw/zinc/79/00/27/572790027.db2.gz	ALVVPDUWXNXEGQ-UHFFFAOYSA-N	-1	3	199.213	1.664	10	30		ADEEHM
CC(=N[O-])[C@H](C)n1cccn1	307767742	572791474	/nfs/dbraw/zinc/79/14/74/572791474.db2.gz	IJYBXQVTHVCMFA-ZETCQYMHSA-N	-1	3	153.185	1.294	10	30		ADEEHM
C#CCO[N-]C(=O)C1=C(Cl)CCC1	307711480	572797109	/nfs/dbraw/zinc/79/71/09/572797109.db2.gz	UGQIVUNZDHBMDL-UHFFFAOYSA-N	-1	3	199.637	1.344	10	30		ADEEHM
C=C[C@H](C)O[N-]C(=O)C(=C)Cl	307707054	572799967	/nfs/dbraw/zinc/79/99/67/572799967.db2.gz	YNIVLJMHWRTEHM-YFKPBYRVSA-N	-1	3	175.615	1.361	10	30		ADEEHM
C=C(C)CC1=C([O-])CCC1=O	196691173	572805712	/nfs/dbraw/zinc/80/57/12/572805712.db2.gz	HBBIWEACYIQGCF-UHFFFAOYSA-N	-1	3	152.193	1.501	10	30		ADEEHM
CC[C@@H](C(C)=N[O-])S(=O)(=O)CC	307942744	572808612	/nfs/dbraw/zinc/80/86/12/572808612.db2.gz	QDBVXTDZCCOSFE-ZETCQYMHSA-N	-1	3	193.268	1.050	10	30		ADEEHM
CC[C@H](C(C)=N[O-])S(=O)(=O)CC	307942743	572810261	/nfs/dbraw/zinc/81/02/61/572810261.db2.gz	QDBVXTDZCCOSFE-SSDOTTSWSA-N	-1	3	193.268	1.050	10	30		ADEEHM
C#CCN[C@](C)(C(=O)[O-])[C@@H](C)CC	308139302	572811478	/nfs/dbraw/zinc/81/14/78/572811478.db2.gz	KBBZKPJFNBMDQY-WPRPVWTQSA-N	-1	3	183.251	1.099	10	30		ADEEHM
C#CCN[C@](C)(C(=O)[O-])[C@H](C)CC	308139300	572811924	/nfs/dbraw/zinc/81/19/24/572811924.db2.gz	KBBZKPJFNBMDQY-SCZZXKLOSA-N	-1	3	183.251	1.099	10	30		ADEEHM
CN([O-])C(=O)c1cccs1	34722099	572812578	/nfs/dbraw/zinc/81/25/78/572812578.db2.gz	JQNCCPZMHNPGBX-UHFFFAOYSA-N	-1	3	157.194	1.209	10	30		ADEEHM
C#CCN[C@@](C)(C(=O)[O-])[C@@H](C)CC	308139301	572812680	/nfs/dbraw/zinc/81/26/80/572812680.db2.gz	KBBZKPJFNBMDQY-WCBMZHEXSA-N	-1	3	183.251	1.099	10	30		ADEEHM
CC(=N[O-])c1ccc2n[nH]cc2c1	308133815	572812740	/nfs/dbraw/zinc/81/27/40/572812740.db2.gz	GUMUWCXRMLXXMI-UHFFFAOYSA-N	-1	3	175.191	1.761	10	30		ADEEHM
CC(=O)N([O-])Cc1ccoc1Cl	75086543	572812857	/nfs/dbraw/zinc/81/28/57/572812857.db2.gz	QPDLGJDBQAGZNK-UHFFFAOYSA-N	-1	3	189.598	1.671	10	30		ADEEHM
C#CCN[C@@](C)(C(=O)[O-])[C@H](C)CC	308139299	572813624	/nfs/dbraw/zinc/81/36/24/572813624.db2.gz	KBBZKPJFNBMDQY-PSASIEDQSA-N	-1	3	183.251	1.099	10	30		ADEEHM
[O-]N=C(CCO)c1ccccc1	307944615	572813892	/nfs/dbraw/zinc/81/38/92/572813892.db2.gz	WIWAUXIOMTVEAT-UHFFFAOYSA-N	-1	3	165.192	1.247	10	30		ADEEHM
C=C[C@@H](C)OC(=O)c1cn[n-]c1	307946548	572815059	/nfs/dbraw/zinc/81/50/59/572815059.db2.gz	JVJHORSJCODGIR-ZCFIWIBFSA-N	-1	3	166.180	1.141	10	30		ADEEHM
C=C[C@H](C)OC(=O)c1cn[n-]c1	307946547	572816269	/nfs/dbraw/zinc/81/62/69/572816269.db2.gz	JVJHORSJCODGIR-LURJTMIESA-N	-1	3	166.180	1.141	10	30		ADEEHM
[O-]/N=C\c1cncc(Cl)c1	118197920	572824247	/nfs/dbraw/zinc/82/42/47/572824247.db2.gz	VBTYPRVPDQLVHO-OQFOIZHKSA-N	-1	3	156.572	1.543	10	30		ADEEHM
C=CCCCc1c([O-])nc(C)[nH]c1=O	238557798	572825594	/nfs/dbraw/zinc/82/55/94/572825594.db2.gz	BCHDZPKMOUJTRA-UHFFFAOYSA-N	-1	3	194.234	1.293	10	30		ADEEHM
COCc1cc(C=N[O-])ccc1O	713761885	572827003	/nfs/dbraw/zinc/82/70/03/572827003.db2.gz	MEOMTJDUWXSLTI-UHFFFAOYSA-N	-1	3	181.191	1.347	10	30		ADEEHM
COCc1cc(C=NO)ccc1[O-]	713761885	572827005	/nfs/dbraw/zinc/82/70/05/572827005.db2.gz	MEOMTJDUWXSLTI-UHFFFAOYSA-N	-1	3	181.191	1.347	10	30		ADEEHM
N#Cc1c(-c2ccc([O-])cc2)c[nH]c1N	238572484	572829023	/nfs/dbraw/zinc/82/90/23/572829023.db2.gz	ILPHRLOQNVXODS-UHFFFAOYSA-N	-1	3	199.213	1.841	10	30		ADEEHM
CC(C)C(=O)C(C#N)=C([O-])C1CC1	308142355	572834276	/nfs/dbraw/zinc/83/42/76/572834276.db2.gz	JJTWFNBXBMNUKH-QMMMGPOBSA-N	-1	3	179.219	1.330	10	30		ADEEHM
C#CCO[N-]C(=O)CCCC=C	307955178	572833295	/nfs/dbraw/zinc/83/32/95/572833295.db2.gz	DYBLJTOOSMBCTK-UHFFFAOYSA-N	-1	3	167.208	1.024	10	30		ADEEHM
CC(C)C([O-])=C(C#N)C(=O)C1CC1	308142355	572834272	/nfs/dbraw/zinc/83/42/72/572834272.db2.gz	JJTWFNBXBMNUKH-QMMMGPOBSA-N	-1	3	179.219	1.330	10	30		ADEEHM
Cc1ccc([O-])c(CNCCC#N)n1	85971993	572837121	/nfs/dbraw/zinc/83/71/21/572837121.db2.gz	GMZILPPZXJYXTD-UHFFFAOYSA-N	-1	3	191.234	1.099	10	30		ADEEHM
C=CCCOC(=O)c1cn[n-]c1	307962074	572855125	/nfs/dbraw/zinc/85/51/25/572855125.db2.gz	MTAIHYFUZXXZRT-UHFFFAOYSA-N	-1	3	166.180	1.143	10	30		ADEEHM
CC(C#N)=C([O-])c1c[nH]c2cnccc12	257586207	572863629	/nfs/dbraw/zinc/86/36/29/572863629.db2.gz	WPUSIPTVVAXASE-ZETCQYMHSA-N	-1	3	199.213	1.905	10	30		ADEEHM
CC(C#N)=C([O-])c1c[nH]c2cnccc12	257586206	572864320	/nfs/dbraw/zinc/86/43/20/572864320.db2.gz	WPUSIPTVVAXASE-SSDOTTSWSA-N	-1	3	199.213	1.905	10	30		ADEEHM
O=CCc1ccc([O-])cc1Cl	75560618	572864975	/nfs/dbraw/zinc/86/49/75/572864975.db2.gz	GRALASWUYGDZDP-UHFFFAOYSA-N	-1	3	170.595	1.787	10	30		ADEEHM
C#CCN(CC(=O)[O-])C[C@H](C)CCC	86140785	572872117	/nfs/dbraw/zinc/87/21/17/572872117.db2.gz	PYUPEEHNUQQHDK-SNVBAGLBSA-N	-1	3	197.278	1.442	10	30		ADEEHM
C#CCN(CC(=O)[O-])C[C@@H](C)CCC	86140786	572872549	/nfs/dbraw/zinc/87/25/49/572872549.db2.gz	PYUPEEHNUQQHDK-JTQLQIEISA-N	-1	3	197.278	1.442	10	30		ADEEHM
C#CCN(CC(=O)[O-])[C@@H](CC)C1CC1	86156515	572872703	/nfs/dbraw/zinc/87/27/03/572872703.db2.gz	RQSAKDDXVSFHSI-JTQLQIEISA-N	-1	3	195.262	1.195	10	30		ADEEHM
C#CCN(CC(=O)[O-])[C@@H]1CCC[C@@H]1C	86156441	572872930	/nfs/dbraw/zinc/87/29/30/572872930.db2.gz	LFMCUEMAVXXCGQ-VHSXEESVSA-N	-1	3	195.262	1.195	10	30		ADEEHM
Cc1nc(-c2ncco2)c(C#N)[n-]1	77595982	572874194	/nfs/dbraw/zinc/87/41/94/572874194.db2.gz	VZTAOEGRQADSER-UHFFFAOYSA-N	-1	3	174.163	1.245	10	30		ADEEHM
C#CCN(CC(=O)[O-])[C@@H]1CCC[C@H]1C	86156440	572873097	/nfs/dbraw/zinc/87/30/97/572873097.db2.gz	LFMCUEMAVXXCGQ-NXEZZACHSA-N	-1	3	195.262	1.195	10	30		ADEEHM
Cc1nc(C#N)c(-c2ncco2)[n-]1	77595982	572874198	/nfs/dbraw/zinc/87/41/98/572874198.db2.gz	VZTAOEGRQADSER-UHFFFAOYSA-N	-1	3	174.163	1.245	10	30		ADEEHM
C#CCN(CC(=O)[O-])[C@H]1CCC[C@@H]1C	86156439	572873237	/nfs/dbraw/zinc/87/32/37/572873237.db2.gz	LFMCUEMAVXXCGQ-UWVGGRQHSA-N	-1	3	195.262	1.195	10	30		ADEEHM
Cc1coc(-c2nc(C)[n-]c2C#N)n1	77595996	572873258	/nfs/dbraw/zinc/87/32/58/572873258.db2.gz	DULXDFQNNIQURE-UHFFFAOYSA-N	-1	3	188.190	1.553	10	30		ADEEHM
Cc1coc(-c2[n-]c(C)nc2C#N)n1	77595996	572873261	/nfs/dbraw/zinc/87/32/61/572873261.db2.gz	DULXDFQNNIQURE-UHFFFAOYSA-N	-1	3	188.190	1.553	10	30		ADEEHM
C#CCN(CC(=O)[O-])[C@@H](C)C(C)C	86156436	572873562	/nfs/dbraw/zinc/87/35/62/572873562.db2.gz	QIMVZWDNJLUKNI-VIFPVBQESA-N	-1	3	183.251	1.051	10	30		ADEEHM
C#CCN(CC(=O)[O-])[C@H]1CCC[C@H]1C	86156438	572874501	/nfs/dbraw/zinc/87/45/01/572874501.db2.gz	LFMCUEMAVXXCGQ-ZJUUUORDSA-N	-1	3	195.262	1.195	10	30		ADEEHM
C#CCN(CC(=O)[O-])[C@H](C)C(C)C	86156435	572874823	/nfs/dbraw/zinc/87/48/23/572874823.db2.gz	QIMVZWDNJLUKNI-SECBINFHSA-N	-1	3	183.251	1.051	10	30		ADEEHM
C#CCN(CC(=O)[O-])[C@H](CC)C1CC1	86156516	572875419	/nfs/dbraw/zinc/87/54/19/572875419.db2.gz	RQSAKDDXVSFHSI-SNVBAGLBSA-N	-1	3	195.262	1.195	10	30		ADEEHM
Cc1nc(C#N)c(-c2ncc(C)o2)[n-]1	77596008	572875721	/nfs/dbraw/zinc/87/57/21/572875721.db2.gz	YSHFSRZMDZOSLC-UHFFFAOYSA-N	-1	3	188.190	1.553	10	30		ADEEHM
Cc1nc(-c2ncc(C)o2)c(C#N)[n-]1	77596008	572875723	/nfs/dbraw/zinc/87/57/23/572875723.db2.gz	YSHFSRZMDZOSLC-UHFFFAOYSA-N	-1	3	188.190	1.553	10	30		ADEEHM
C#CCN(CC(=O)[O-])[C@@H](C)[C@@H](C)CC	86156572	572876183	/nfs/dbraw/zinc/87/61/83/572876183.db2.gz	AWWMMGSBYXXRGV-UWVGGRQHSA-N	-1	3	197.278	1.441	10	30		ADEEHM
C#CCN(CC(=O)[O-])C(CC)CC	86156624	572876237	/nfs/dbraw/zinc/87/62/37/572876237.db2.gz	VDUOTSDJEFLNFS-UHFFFAOYSA-N	-1	3	183.251	1.195	10	30		ADEEHM
C#CCN(CC(=O)[O-])[C@H](C)[C@H](C)CC	86156569	572876301	/nfs/dbraw/zinc/87/63/01/572876301.db2.gz	AWWMMGSBYXXRGV-NXEZZACHSA-N	-1	3	197.278	1.441	10	30		ADEEHM
C#CCN(CC(=O)[O-])[C@@H](C)[C@H](C)CC	86156571	572876630	/nfs/dbraw/zinc/87/66/30/572876630.db2.gz	AWWMMGSBYXXRGV-ZJUUUORDSA-N	-1	3	197.278	1.441	10	30		ADEEHM
C#CCN(CC(=O)[O-])[C@@H](C)CC(C)C	86156585	572876326	/nfs/dbraw/zinc/87/63/26/572876326.db2.gz	DIUSDYVCUXYLCV-JTQLQIEISA-N	-1	3	197.278	1.441	10	30		ADEEHM
C#CCN(CC(=O)[O-])[C@@H]1CC[C@@H](C)C1	86156567	572876362	/nfs/dbraw/zinc/87/63/62/572876362.db2.gz	QQXCMYYUIFSHAK-NXEZZACHSA-N	-1	3	195.262	1.195	10	30		ADEEHM
C#CCN(CC(=O)[O-])[C@@H]1CC[C@H](C)C1	86156568	572876450	/nfs/dbraw/zinc/87/64/50/572876450.db2.gz	QQXCMYYUIFSHAK-VHSXEESVSA-N	-1	3	195.262	1.195	10	30		ADEEHM
C#CCN(CC(=O)[O-])[C@H](C)[C@@H](C)CC	86156570	572876561	/nfs/dbraw/zinc/87/65/61/572876561.db2.gz	AWWMMGSBYXXRGV-VHSXEESVSA-N	-1	3	197.278	1.441	10	30		ADEEHM
C#CCN(CC(=O)[O-])[C@H]1CC[C@H](C)C1	86156566	572876574	/nfs/dbraw/zinc/87/65/74/572876574.db2.gz	QQXCMYYUIFSHAK-UWVGGRQHSA-N	-1	3	195.262	1.195	10	30		ADEEHM
C#CCN(CC(=O)[O-])[C@H]1CC[C@@H](C)C1	86156565	572876589	/nfs/dbraw/zinc/87/65/89/572876589.db2.gz	QQXCMYYUIFSHAK-ZJUUUORDSA-N	-1	3	195.262	1.195	10	30		ADEEHM
C#CCN(CC(=O)[O-])[C@H](C)CCC	86156541	572876652	/nfs/dbraw/zinc/87/66/52/572876652.db2.gz	WMDDMPKTTGMCBY-SECBINFHSA-N	-1	3	183.251	1.195	10	30		ADEEHM
C#CCN(CC(=O)[O-])[C@@H](CC)C(C)C	86156589	572876668	/nfs/dbraw/zinc/87/66/68/572876668.db2.gz	XPCPOOXYCPBFPN-JTQLQIEISA-N	-1	3	197.278	1.441	10	30		ADEEHM
C#CCN(CC(=O)[O-])[C@H](C)CC(C)C	86156584	572876728	/nfs/dbraw/zinc/87/67/28/572876728.db2.gz	DIUSDYVCUXYLCV-SNVBAGLBSA-N	-1	3	197.278	1.441	10	30		ADEEHM
C#CCN(CC(=O)[O-])[C@@H](C)CCC	86156542	572876796	/nfs/dbraw/zinc/87/67/96/572876796.db2.gz	WMDDMPKTTGMCBY-VIFPVBQESA-N	-1	3	183.251	1.195	10	30		ADEEHM
CC(C)(C)N(CCC#N)CC(=O)[O-]	86137357	572879326	/nfs/dbraw/zinc/87/93/26/572879326.db2.gz	CWAJFQAKPKGPSP-UHFFFAOYSA-N	-1	3	184.239	1.085	10	30		ADEEHM
CC(=N[O-])c1ccc2c(c1)CC(=O)N2	308165683	572882936	/nfs/dbraw/zinc/88/29/36/572882936.db2.gz	BCINOIUWCXZSRY-UHFFFAOYSA-N	-1	3	190.202	1.379	10	30		ADEEHM
CC(=N[O-])c1ccc(OCC#N)cc1	308166372	572886049	/nfs/dbraw/zinc/88/60/49/572886049.db2.gz	JMTFXVKFMJHBMP-UHFFFAOYSA-N	-1	3	190.202	1.787	10	30		ADEEHM
Cc1csc(-c2nn[n-]c2C#N)n1	75618505	572886194	/nfs/dbraw/zinc/88/61/94/572886194.db2.gz	LNDVQSATRJORBZ-UHFFFAOYSA-N	-1	3	191.219	1.108	10	30		ADEEHM
Cc1csc(-c2[n-]nnc2C#N)n1	75618505	572886197	/nfs/dbraw/zinc/88/61/97/572886197.db2.gz	LNDVQSATRJORBZ-UHFFFAOYSA-N	-1	3	191.219	1.108	10	30		ADEEHM
Cc1csc(-c2n[n-]nc2C#N)n1	75618505	572886203	/nfs/dbraw/zinc/88/62/03/572886203.db2.gz	LNDVQSATRJORBZ-UHFFFAOYSA-N	-1	3	191.219	1.108	10	30		ADEEHM
Cc1cccc2c1C[C@H](O)C2=N[O-]	308168027	572886502	/nfs/dbraw/zinc/88/65/02/572886502.db2.gz	SFBQGYOTZMDMNT-VIFPVBQESA-N	-1	3	177.203	1.090	10	30		ADEEHM
Cc1csnc1-c1n[n-]nc1C#N	75618604	572886920	/nfs/dbraw/zinc/88/69/20/572886920.db2.gz	PCYODJJJXQXRMM-UHFFFAOYSA-N	-1	3	191.219	1.108	10	30		ADEEHM
Cc1cc(-c2n[n-]nc2C#N)ns1	75618611	572887023	/nfs/dbraw/zinc/88/70/23/572887023.db2.gz	PJZOZEDAOJWKAZ-UHFFFAOYSA-N	-1	3	191.219	1.108	10	30		ADEEHM
Cc1nc(-c2n[n-]nc2C#N)cs1	75618521	572887669	/nfs/dbraw/zinc/88/76/69/572887669.db2.gz	UOSGNEHVKALOPK-UHFFFAOYSA-N	-1	3	191.219	1.108	10	30		ADEEHM
Cc1cc(-c2n[n-]nc2C#N)sn1	75618627	572888105	/nfs/dbraw/zinc/88/81/05/572888105.db2.gz	STUPJWIHLLKZPC-UHFFFAOYSA-N	-1	3	191.219	1.108	10	30		ADEEHM
Cc1cnsc1-c1n[n-]nc1C#N	75618633	572888670	/nfs/dbraw/zinc/88/86/70/572888670.db2.gz	AYNISRYHFVNNGN-UHFFFAOYSA-N	-1	3	191.219	1.108	10	30		ADEEHM
Cc1cnc(-c2n[n-]nc2C#N)s1	75618501	572889643	/nfs/dbraw/zinc/88/96/43/572889643.db2.gz	DSPPJEAPIITKPE-UHFFFAOYSA-N	-1	3	191.219	1.108	10	30		ADEEHM
CO[C@](C)(C(C)=N[O-])C1CC1	307973273	572893744	/nfs/dbraw/zinc/89/37/44/572893744.db2.gz	BSKRKTXZBXIWOV-MRVPVSSYSA-N	-1	3	157.213	1.652	10	30		ADEEHM
CCC[C@H](O)[C@H]([S-])C(=O)OCC	307973717	572895436	/nfs/dbraw/zinc/89/54/36/572895436.db2.gz	CJQGZPGIBJGJEV-BQBZGAKWSA-N	-1	3	192.280	1.009	10	30		ADEEHM
[O-]N=Cc1ccccc1CCO	307973269	572894854	/nfs/dbraw/zinc/89/48/54/572894854.db2.gz	BRPOHUZIWMGQSR-UHFFFAOYSA-N	-1	3	165.192	1.030	10	30		ADEEHM
CO[C@@](C)(C(C)=N[O-])C1CC1	307973274	572895695	/nfs/dbraw/zinc/89/56/95/572895695.db2.gz	BSKRKTXZBXIWOV-QMMMGPOBSA-N	-1	3	157.213	1.652	10	30		ADEEHM
CCn1[n-]c2cc(=O)ccc-2c1C#N	250454794	572897860	/nfs/dbraw/zinc/89/78/60/572897860.db2.gz	PBMSQWZEVQZDTJ-UHFFFAOYSA-N	-1	3	187.202	1.633	10	30		ADEEHM
CCn1nc2cc([O-])ccc2c1C#N	250454794	572897862	/nfs/dbraw/zinc/89/78/62/572897862.db2.gz	PBMSQWZEVQZDTJ-UHFFFAOYSA-N	-1	3	187.202	1.633	10	30		ADEEHM
C[C@@H]1Cc2cc(C#N)c([O-])cc2N1	713773430	572898391	/nfs/dbraw/zinc/89/83/91/572898391.db2.gz	JAJLCBPEUFHPTE-ZCFIWIBFSA-N	-1	3	174.203	1.620	10	30		ADEEHM
C[C@H]1Cc2cc(C#N)c([O-])cc2N1	713773424	572898761	/nfs/dbraw/zinc/89/87/61/572898761.db2.gz	JAJLCBPEUFHPTE-LURJTMIESA-N	-1	3	174.203	1.620	10	30		ADEEHM
Cc1ccoc1C(=O)N(C)CC=N[O-]	714585847	572900284	/nfs/dbraw/zinc/90/02/84/572900284.db2.gz	HUSNQZWQCISNQB-UHFFFAOYSA-N	-1	3	196.206	1.120	10	30		ADEEHM
C#CCO[N-]C(=O)CCCC1CC1	308183879	572908228	/nfs/dbraw/zinc/90/82/28/572908228.db2.gz	IDKBEMSRWMXNJE-UHFFFAOYSA-N	-1	3	181.235	1.248	10	30		ADEEHM
CCN(CCC#N)[C@@H](C)[C@@H](C)C(=O)[O-]	86307258	572909330	/nfs/dbraw/zinc/90/93/30/572909330.db2.gz	ARMNCFCKVSZEEB-BDAKNGLRSA-N	-1	3	198.266	1.331	10	30		ADEEHM
C[C@H](C#N)CN(C)[C@@H](C)[C@@H](C)C(=O)[O-]	86307265	572909547	/nfs/dbraw/zinc/90/95/47/572909547.db2.gz	VLGDISYHPKBTOO-HLTSFMKQSA-N	-1	3	198.266	1.187	10	30		ADEEHM
CCN(CCC#N)[C@H](C)[C@@H](C)C(=O)[O-]	86307259	572910449	/nfs/dbraw/zinc/91/04/49/572910449.db2.gz	ARMNCFCKVSZEEB-RKDXNWHRSA-N	-1	3	198.266	1.331	10	30		ADEEHM
CCON=Cc1cc([O-])cc(F)c1	308186413	572913141	/nfs/dbraw/zinc/91/31/41/572913141.db2.gz	JILFDKUYDMAAQH-UHFFFAOYSA-N	-1	3	183.182	1.902	10	30		ADEEHM
CCN([O-])C(=O)c1ccccc1	196708851	572922931	/nfs/dbraw/zinc/92/29/31/572922931.db2.gz	RZALHIRCGACDHA-UHFFFAOYSA-N	-1	3	165.192	1.538	10	30		ADEEHM
CCOc1cc(N=C(CC)NO)[n-]n1	141119006	572924754	/nfs/dbraw/zinc/92/47/54/572924754.db2.gz	XLBDMCUHILHHOG-UHFFFAOYSA-N	-1	3	198.226	1.227	10	30		ADEEHM
CCOc1cc(N=C(CC)NO)n[n-]1	141119006	572924757	/nfs/dbraw/zinc/92/47/57/572924757.db2.gz	XLBDMCUHILHHOG-UHFFFAOYSA-N	-1	3	198.226	1.227	10	30		ADEEHM
C=C[C@H](N)c1c(C)oc(C)c1C(=O)[O-]	713781855	572932126	/nfs/dbraw/zinc/93/21/26/572932126.db2.gz	YVVLSTNUWHENBG-ZETCQYMHSA-N	-1	3	195.218	1.780	10	30		ADEEHM
C=C[C@@H](N)c1c(C)oc(C)c1C(=O)[O-]	713781549	572932676	/nfs/dbraw/zinc/93/26/76/572932676.db2.gz	YVVLSTNUWHENBG-SSDOTTSWSA-N	-1	3	195.218	1.780	10	30		ADEEHM
CCn1[n-]ccc1=N/C(=N\C)C(C)C	308210871	572945072	/nfs/dbraw/zinc/94/50/72/572945072.db2.gz	IMRMHXBDPLSHNA-QYUYPVFOSA-N	-1	3	194.282	1.421	10	30		ADEEHM
CCn1[n-]ccc1=N/C(=N/C)C(C)C	308210872	572945115	/nfs/dbraw/zinc/94/51/15/572945115.db2.gz	IMRMHXBDPLSHNA-RHBCSCSVSA-N	-1	3	194.282	1.421	10	30		ADEEHM
CN(CC=N[O-])Cc1cncs1	714614849	572947127	/nfs/dbraw/zinc/94/71/27/572947127.db2.gz	FBLZKNNHWSXUQP-UHFFFAOYSA-N	-1	3	185.252	1.035	10	30		ADEEHM
C[C@H](CC#N)N(C)CC(C)(C)C(=O)[O-]	86594619	572959946	/nfs/dbraw/zinc/95/99/46/572959946.db2.gz	AAGQUMHSHYOAEJ-MRVPVSSYSA-N	-1	3	198.266	1.331	10	30		ADEEHM
C[C@@H](C#N)CN(C)CC(C)(C)C(=O)[O-]	86594601	572960176	/nfs/dbraw/zinc/96/01/76/572960176.db2.gz	QZHWSQVTPWIYMY-QMMMGPOBSA-N	-1	3	198.266	1.189	10	30		ADEEHM
C[C@@H](CC#N)N(C)CC(C)(C)C(=O)[O-]	86594618	572960869	/nfs/dbraw/zinc/96/08/69/572960869.db2.gz	AAGQUMHSHYOAEJ-QMMMGPOBSA-N	-1	3	198.266	1.331	10	30		ADEEHM
CCN(CCC#N)CC(C)(C)C(=O)[O-]	86594597	572961602	/nfs/dbraw/zinc/96/16/02/572961602.db2.gz	STHKXRNJQXEBFX-UHFFFAOYSA-N	-1	3	198.266	1.333	10	30		ADEEHM
C[C@H](C#N)CN(C)CC(C)(C)C(=O)[O-]	86594600	572961659	/nfs/dbraw/zinc/96/16/59/572961659.db2.gz	QZHWSQVTPWIYMY-MRVPVSSYSA-N	-1	3	198.266	1.189	10	30		ADEEHM
[O-]/N=C/c1ccc(N2CCCC2)o1	59138290	572965650	/nfs/dbraw/zinc/96/56/50/572965650.db2.gz	SYHRPRJAUXDEKQ-JXMROGBWSA-N	-1	3	180.207	1.688	10	30		ADEEHM
COc1ccc(/C=N/N(C)C)c([O-])c1	59167083	572966408	/nfs/dbraw/zinc/96/64/08/572966408.db2.gz	ZGSRURAIDGAPEA-YRNVUSSQSA-N	-1	3	194.234	1.296	10	30		ADEEHM
CCOC(=O)[C@@H](C)/C(C)=N/[O-]	59508435	572974234	/nfs/dbraw/zinc/97/42/34/572974234.db2.gz	MQIUONDZRHCMOL-GZNKVARCSA-N	-1	3	159.185	1.036	10	30		ADEEHM
CCCCCC1=CC(=C[O-])C(=O)O1	238190141	572977282	/nfs/dbraw/zinc/97/72/82/572977282.db2.gz	ONCJKTFNISTQPF-QMMMGPOBSA-N	-1	3	182.219	1.823	10	30		ADEEHM
CCCCCC1=CC(=C[O-])C(=O)O1	238190311	572977644	/nfs/dbraw/zinc/97/76/44/572977644.db2.gz	ONCJKTFNISTQPF-MRVPVSSYSA-N	-1	3	182.219	1.823	10	30		ADEEHM
C[C@@H](C#N)CNCc1ccc([O-])cn1	86791807	572980002	/nfs/dbraw/zinc/98/00/02/572980002.db2.gz	QLWJDBSRDSXVDH-QMMMGPOBSA-N	-1	3	191.234	1.036	10	30		ADEEHM
C=CCNCc1ccc([O-])cn1	86789892	572980405	/nfs/dbraw/zinc/98/04/05/572980405.db2.gz	JBRGBIDPEXAYCA-UHFFFAOYSA-N	-1	3	164.208	1.063	10	30		ADEEHM
C[C@H](C#N)CNCc1ccc([O-])cn1	86791804	572981104	/nfs/dbraw/zinc/98/11/04/572981104.db2.gz	QLWJDBSRDSXVDH-MRVPVSSYSA-N	-1	3	191.234	1.036	10	30		ADEEHM
CCC(CC)(NCCC#N)C(=O)[O-]	86812077	572982523	/nfs/dbraw/zinc/98/25/23/572982523.db2.gz	IXAXOXNRZAVPFA-UHFFFAOYSA-N	-1	3	184.239	1.133	10	30		ADEEHM
O=CCc1cc2c([O-])cccc2o1	258205871	572992792	/nfs/dbraw/zinc/99/27/92/572992792.db2.gz	OMSDLCJIHOMJQU-UHFFFAOYSA-N	-1	3	176.171	1.880	10	30		ADEEHM
C=C[C@@H]([NH3+])c1ccc(C(=O)[O-])cc1[O-]	104530841	572994417	/nfs/dbraw/zinc/99/44/17/572994417.db2.gz	VKUJRNCOHZFSRG-MRVPVSSYSA-N	-1	3	193.202	1.276	10	30		ADEEHM
COc1cc(Cl)c(C#N)cc1[O-]	258207586	572994768	/nfs/dbraw/zinc/99/47/68/572994768.db2.gz	ZCQJDOFQRFGOEI-UHFFFAOYSA-N	-1	3	183.594	1.926	10	30		ADEEHM
COc1cc(F)cc([O-])c1CC#N	257917218	572995647	/nfs/dbraw/zinc/99/56/47/572995647.db2.gz	BRSLTGZDFSZSEV-UHFFFAOYSA-N	-1	3	181.166	1.606	10	30		ADEEHM
Cc1cc([O-])c(C#N)c(O)c1	104529891	572998214	/nfs/dbraw/zinc/99/82/14/572998214.db2.gz	QHTGCSJFERVMFF-UHFFFAOYSA-N	-1	3	149.149	1.278	10	30		ADEEHM
C[C@H](CO)c1cc(C#N)c(O)cc1[O-]	258214310	573002982	/nfs/dbraw/zinc/00/29/82/573002982.db2.gz	ZSWZCBVZAXCVRP-ZCFIWIBFSA-N	-1	3	193.202	1.065	10	30		ADEEHM
C[C@H](CO)c1cc(C#N)c([O-])cc1O	258214310	573002988	/nfs/dbraw/zinc/00/29/88/573002988.db2.gz	ZSWZCBVZAXCVRP-ZCFIWIBFSA-N	-1	3	193.202	1.065	10	30		ADEEHM
CC(=N[O-])c1ccc2n[nH]cc2c1	113433805	573003687	/nfs/dbraw/zinc/00/36/87/573003687.db2.gz	GUMUWCXRMLXXMI-WUXMJOGZSA-N	-1	3	175.191	1.761	10	30		ADEEHM
C[C@@H](CO)c1cc(C#N)c(O)cc1[O-]	258214307	573004999	/nfs/dbraw/zinc/00/49/99/573004999.db2.gz	ZSWZCBVZAXCVRP-LURJTMIESA-N	-1	3	193.202	1.065	10	30		ADEEHM
C[C@@H](CO)c1cc(C#N)c([O-])cc1O	258214307	573005005	/nfs/dbraw/zinc/00/50/05/573005005.db2.gz	ZSWZCBVZAXCVRP-LURJTMIESA-N	-1	3	193.202	1.065	10	30		ADEEHM
Cc1ccc(N[C@@H]([S-])NN)cc1	104558635	573010930	/nfs/dbraw/zinc/01/09/30/573010930.db2.gz	FMDBNUXGDKTJKJ-MRVPVSSYSA-N	-1	3	183.280	1.084	10	30		ADEEHM
Cc1ccc(C)c(N[C@H]([S-])NN)c1	104559860	573011715	/nfs/dbraw/zinc/01/17/15/573011715.db2.gz	OYNHTTPNFYPPSB-VIFPVBQESA-N	-1	3	197.307	1.392	10	30		ADEEHM
Cc1ccc(N[C@H]([S-])NN)cc1	104558630	573011826	/nfs/dbraw/zinc/01/18/26/573011826.db2.gz	FMDBNUXGDKTJKJ-QMMMGPOBSA-N	-1	3	183.280	1.084	10	30		ADEEHM
Cc1ccccc1N[C@H]([S-])NN	104558614	573012238	/nfs/dbraw/zinc/01/22/38/573012238.db2.gz	KITPAMQDTZQAGC-QMMMGPOBSA-N	-1	3	183.280	1.084	10	30		ADEEHM
Cc1cccc(N[C@@H]([S-])NN)c1	104558609	573012704	/nfs/dbraw/zinc/01/27/04/573012704.db2.gz	HIUJRXISUCFFOU-MRVPVSSYSA-N	-1	3	183.280	1.084	10	30		ADEEHM
Cc1ccc(C)c(N[C@@H]([S-])NN)c1	104559866	573012935	/nfs/dbraw/zinc/01/29/35/573012935.db2.gz	OYNHTTPNFYPPSB-SECBINFHSA-N	-1	3	197.307	1.392	10	30		ADEEHM
C=CC1(C)CC(=O)C=C([O-])C1	238253195	573015624	/nfs/dbraw/zinc/01/56/24/573015624.db2.gz	MIIGNUULLFOZKH-UHFFFAOYSA-N	-1	3	152.193	1.501	10	30		ADEEHM
CC1=CC([O-])=CC(=O)[C@@H]2CCC[C@H]12	238253738	573017846	/nfs/dbraw/zinc/01/78/46/573017846.db2.gz	PTYKACYYRPZOSD-NXEZZACHSA-N	-1	3	178.231	1.891	10	30		ADEEHM
Cc1coc(-c2[n-]ncc2CC#N)n1	259595860	573018232	/nfs/dbraw/zinc/01/82/32/573018232.db2.gz	DWCFVIKCFDBDCT-UHFFFAOYSA-N	-1	3	188.190	1.439	10	30		ADEEHM
Cc1coc(-c2n[n-]cc2CC#N)n1	259595860	573018238	/nfs/dbraw/zinc/01/82/38/573018238.db2.gz	DWCFVIKCFDBDCT-UHFFFAOYSA-N	-1	3	188.190	1.439	10	30		ADEEHM
N#CC[C@H]1CCc2c1nc[n-]c2=O	259595721	573019432	/nfs/dbraw/zinc/01/94/32/573019432.db2.gz	GIXATJWDQSEVFL-ZCFIWIBFSA-N	-1	3	175.191	1.126	10	30		ADEEHM
CC1=CC([O-])=CC(=O)[C@H]2CCC[C@H]12	238253763	573019542	/nfs/dbraw/zinc/01/95/42/573019542.db2.gz	PTYKACYYRPZOSD-ZJUUUORDSA-N	-1	3	178.231	1.891	10	30		ADEEHM
CC1=CC([O-])=CC(=O)[C@H]2CCC[C@@H]12	238253773	573021459	/nfs/dbraw/zinc/02/14/59/573021459.db2.gz	PTYKACYYRPZOSD-UWVGGRQHSA-N	-1	3	178.231	1.891	10	30		ADEEHM
N#CC[C@H](N)c1cc([O-])cc(F)c1	104573759	573024399	/nfs/dbraw/zinc/02/43/99/573024399.db2.gz	FURJZMFJOKNRGN-VIFPVBQESA-N	-1	3	180.182	1.445	10	30		ADEEHM
Cc1cccc2c1C[C@@H](O)C2=N[O-]	308229151	573027803	/nfs/dbraw/zinc/02/78/03/573027803.db2.gz	SFBQGYOTZMDMNT-SECBINFHSA-N	-1	3	177.203	1.090	10	30		ADEEHM
N#CC[C@H](N)c1ccc(F)c([O-])c1	104581171	573034614	/nfs/dbraw/zinc/03/46/14/573034614.db2.gz	UFNNYPCZPQMIHT-QMMMGPOBSA-N	-1	3	180.182	1.445	10	30		ADEEHM
N#CC[C@@H](N)c1ccc(F)c([O-])c1	104581168	573035052	/nfs/dbraw/zinc/03/50/52/573035052.db2.gz	UFNNYPCZPQMIHT-MRVPVSSYSA-N	-1	3	180.182	1.445	10	30		ADEEHM
[O-]/N=C/c1ccnc(F)c1	113899281	573040949	/nfs/dbraw/zinc/04/09/49/573040949.db2.gz	BPDUWKJMHHBJST-RUDMXATFSA-N	-1	3	140.117	1.029	10	30		ADEEHM
N#CCCc1n[n-]c2ccoc12	259600005	573045996	/nfs/dbraw/zinc/04/59/96/573045996.db2.gz	CTFVDPISYYLUOG-UHFFFAOYSA-N	-1	3	161.164	1.612	10	30		ADEEHM
N#CCCc1[n-]nc2ccoc12	259600005	573046000	/nfs/dbraw/zinc/04/60/00/573046000.db2.gz	CTFVDPISYYLUOG-UHFFFAOYSA-N	-1	3	161.164	1.612	10	30		ADEEHM
C=C(Cl)CNCc1ncccc1[O-]	308247565	573048579	/nfs/dbraw/zinc/04/85/79/573048579.db2.gz	XUCXMCCLIQXORS-UHFFFAOYSA-N	-1	3	198.653	1.629	10	30		ADEEHM
Cc1cccc2c1C(=N[O-])[C@@H](O)C2	308238271	573050480	/nfs/dbraw/zinc/05/04/80/573050480.db2.gz	XBHXBFRZNWTQMF-QMMMGPOBSA-N	-1	3	177.203	1.090	10	30		ADEEHM
Cc1cccc2c1C(=N[O-])[C@H](O)C2	308238270	573050799	/nfs/dbraw/zinc/05/07/99/573050799.db2.gz	XBHXBFRZNWTQMF-MRVPVSSYSA-N	-1	3	177.203	1.090	10	30		ADEEHM
CCN([O-])C(=O)c1cccc(C#N)c1	307013658	573063654	/nfs/dbraw/zinc/06/36/54/573063654.db2.gz	OBCRGPFEHIGXAR-UHFFFAOYSA-N	-1	3	190.202	1.410	10	30		ADEEHM
C=CCNC(=O)Nc1ccccc1[O-]	144024084	573064071	/nfs/dbraw/zinc/06/40/71/573064071.db2.gz	BYWHYUAYLIFUTM-UHFFFAOYSA-N	-1	3	192.218	1.700	10	30		ADEEHM
C#Cc1cc(C)ncc1[O-]	209751275	573065708	/nfs/dbraw/zinc/06/57/08/573065708.db2.gz	SFRQXQIKRMYYPX-UHFFFAOYSA-N	-1	3	133.150	1.077	10	30		ADEEHM
C#Cc1ncc(C)cc1[O-]	209759277	573070339	/nfs/dbraw/zinc/07/03/39/573070339.db2.gz	UQMYKJDDYFWDAP-UHFFFAOYSA-N	-1	3	133.150	1.077	10	30		ADEEHM
C=C(C)COC(=S)[N-]C	104612744	573075370	/nfs/dbraw/zinc/07/53/70/573075370.db2.gz	YVTZHNOMYJIZAG-UHFFFAOYSA-N	-1	3	145.227	1.083	10	30		ADEEHM
C[C@@H](O)c1cc(C#N)c([O-])cc1O	257942438	573084445	/nfs/dbraw/zinc/08/44/45/573084445.db2.gz	DKTNLWBEYBEUBI-RXMQYKEDSA-N	-1	3	179.175	1.023	10	30		ADEEHM
C[C@@H](O)c1cc(C#N)c(O)cc1[O-]	257942438	573084453	/nfs/dbraw/zinc/08/44/53/573084453.db2.gz	DKTNLWBEYBEUBI-RXMQYKEDSA-N	-1	3	179.175	1.023	10	30		ADEEHM
C[C@H](O)c1cc(C#N)c([O-])cc1O	257942440	573085039	/nfs/dbraw/zinc/08/50/39/573085039.db2.gz	DKTNLWBEYBEUBI-YFKPBYRVSA-N	-1	3	179.175	1.023	10	30		ADEEHM
C[C@H](O)c1cc(C#N)c(O)cc1[O-]	257942440	573085046	/nfs/dbraw/zinc/08/50/46/573085046.db2.gz	DKTNLWBEYBEUBI-YFKPBYRVSA-N	-1	3	179.175	1.023	10	30		ADEEHM
CCOc1ccc(F)cc1/C(N)=N/[O-]	82516785	573086220	/nfs/dbraw/zinc/08/62/20/573086220.db2.gz	DHLKWKDLZXBWCX-UHFFFAOYSA-N	-1	3	198.197	1.319	10	30		ADEEHM
[O-]N=C(c1cc[nH]c1)c1cnccn1	308260330	573088586	/nfs/dbraw/zinc/08/85/86/573088586.db2.gz	BHSHBUSJWSRKBB-UHFFFAOYSA-N	-1	3	188.190	1.031	10	30		ADEEHM
Nc1c(C=N[O-])ccc2cccnc12	308258302	573088616	/nfs/dbraw/zinc/08/86/16/573088616.db2.gz	BMJBLUJTRIEYPG-UHFFFAOYSA-N	-1	3	187.202	1.625	10	30		ADEEHM
[O-]N=C(CO)c1c[nH]c2ccccc12	308260481	573091564	/nfs/dbraw/zinc/09/15/64/573091564.db2.gz	JEHKEKHRYCZVLA-UHFFFAOYSA-N	-1	3	190.202	1.339	10	30		ADEEHM
CC[C@@H](N)c1cc([O-])ccc1C#N	238276385	573094552	/nfs/dbraw/zinc/09/45/52/573094552.db2.gz	OQBQLHFOLSFSER-SNVBAGLBSA-N	-1	3	176.219	1.674	10	30		ADEEHM
C=CCN1CCC(C)(CC(=O)[O-])CC1	259327062	573095231	/nfs/dbraw/zinc/09/52/31/573095231.db2.gz	IOQBDNNAQLXHBG-UHFFFAOYSA-N	-1	3	197.278	1.749	10	30		ADEEHM
COc1cc(N)c(C=N[O-])cc1OC	256653738	573099217	/nfs/dbraw/zinc/09/92/17/573099217.db2.gz	JVQSAUDQXWNVLH-UHFFFAOYSA-N	-1	3	196.206	1.094	10	30		ADEEHM
N#Cc1nc(-c2ccccc2[O-])no1	259600604	573105319	/nfs/dbraw/zinc/10/53/19/573105319.db2.gz	FGZKLFDWMLWHFS-UHFFFAOYSA-N	-1	3	187.158	1.314	10	30		ADEEHM
N#Cc1ccc2c(c1[O-])OCCO2	257940939	573105417	/nfs/dbraw/zinc/10/54/17/573105417.db2.gz	DFKKIJTXVIUCKH-UHFFFAOYSA-N	-1	3	177.159	1.035	10	30		ADEEHM
C#CCCNCc1cc(C(=O)[O-])co1	128698128	573107637	/nfs/dbraw/zinc/10/76/37/573107637.db2.gz	XEQICOUAAAFXDM-UHFFFAOYSA-N	-1	3	193.202	1.091	10	30		ADEEHM
N#CC=C([O-])c1ccc2c(c1)COC2	82579567	573108140	/nfs/dbraw/zinc/10/81/40/573108140.db2.gz	PLDMLJVGEXYQFT-UHFFFAOYSA-N	-1	3	187.198	1.813	10	30		ADEEHM
CN(C)[C@@H](C#N)c1ccccc1[O-]	238284708	573109721	/nfs/dbraw/zinc/10/97/21/573109721.db2.gz	YSDVXPMGRKTIGG-VIFPVBQESA-N	-1	3	176.219	1.518	10	30		ADEEHM
COc1cc(F)cc([O-])c1CCC=O	257953822	573111837	/nfs/dbraw/zinc/11/18/37/573111837.db2.gz	BCOCUZDEILMWGV-UHFFFAOYSA-N	-1	3	198.193	1.671	10	30		ADEEHM
CC[C@@H]1C([O-])=CC(=O)[C@H]1C	238286708	573113054	/nfs/dbraw/zinc/11/30/54/573113054.db2.gz	KNKLVZBXSBEISH-WDSKDSINSA-N	-1	3	140.182	1.673	10	30		ADEEHM
C[C@H](CC=O)c1ccc(F)c(O)c1[O-]	257947661	573119692	/nfs/dbraw/zinc/11/96/92/573119692.db2.gz	AMOYFVQUWKQQTP-ZCFIWIBFSA-N	-1	3	198.193	1.929	10	30		ADEEHM
C[C@H](CC=O)c1ccc(F)c([O-])c1O	257947661	573119696	/nfs/dbraw/zinc/11/96/96/573119696.db2.gz	AMOYFVQUWKQQTP-ZCFIWIBFSA-N	-1	3	198.193	1.929	10	30		ADEEHM
CC(=O)c1ccc(N([O-])C(C)=O)cc1	114747462	573120425	/nfs/dbraw/zinc/12/04/25/573120425.db2.gz	XUMTZKVLAGWNRS-UHFFFAOYSA-N	-1	3	193.202	1.631	10	30		ADEEHM
Cc1cc(F)cc(C#N)c1[O-]	257950318	573125890	/nfs/dbraw/zinc/12/58/90/573125890.db2.gz	FQIMLKPGIKOHGP-UHFFFAOYSA-N	-1	3	151.140	1.711	10	30		ADEEHM
CC(=O)Nc1c([O-])cccc1CC#N	257949589	573126820	/nfs/dbraw/zinc/12/68/20/573126820.db2.gz	ATCHTWDOJBAVJQ-UHFFFAOYSA-N	-1	3	190.202	1.417	10	30		ADEEHM
CCc1[n-]c(=S)nc(C)c1C#N	238281788	573128187	/nfs/dbraw/zinc/12/81/87/573128187.db2.gz	ZKGVWUNWCUGZCQ-UHFFFAOYSA-N	-1	3	179.248	1.882	10	30		ADEEHM
CC[C@@H]1C([O-])=CC(=O)[C@@H]1C	238281470	573130077	/nfs/dbraw/zinc/13/00/77/573130077.db2.gz	KNKLVZBXSBEISH-RITPCOANSA-N	-1	3	140.182	1.673	10	30		ADEEHM
C#CCN[C@@H](C(=O)[O-])C1(CC)CCC1	686134244	573132142	/nfs/dbraw/zinc/13/21/42/573132142.db2.gz	WHYYQTJKQXUBCW-VIFPVBQESA-N	-1	3	195.262	1.243	10	30		ADEEHM
N#Cc1cccc2nc(C=O)[n-]c12	259871420	573132308	/nfs/dbraw/zinc/13/23/08/573132308.db2.gz	VWKAQRVNAJVEID-UHFFFAOYSA-N	-1	3	171.159	1.247	10	30		ADEEHM
N#Cc1cccc2[n-]c(C=O)nc12	259871420	573132312	/nfs/dbraw/zinc/13/23/12/573132312.db2.gz	VWKAQRVNAJVEID-UHFFFAOYSA-N	-1	3	171.159	1.247	10	30		ADEEHM
CC1=C([O-])[C@@H](C)[C@H](C)C1=O	141959730	573132375	/nfs/dbraw/zinc/13/23/75/573132375.db2.gz	JAENBJSQSWLYER-WHFBIAKZSA-N	-1	3	140.182	1.673	10	30		ADEEHM
CC1=C([O-])[C@H](C)[C@@H](C)C1=O	141959961	573133467	/nfs/dbraw/zinc/13/34/67/573133467.db2.gz	JAENBJSQSWLYER-RFZPGFLSSA-N	-1	3	140.182	1.673	10	30		ADEEHM
CC(=O)Cc1ccc([O-])cc1C#N	306548174	573133663	/nfs/dbraw/zinc/13/36/63/573133663.db2.gz	CNBREPQJDKAQFG-UHFFFAOYSA-N	-1	3	175.187	1.395	10	30		ADEEHM
C=C[C@@H](N)c1cscc1C(=O)[O-]	104662015	573135698	/nfs/dbraw/zinc/13/56/98/573135698.db2.gz	DNZVAKNAVFDPNM-SSDOTTSWSA-N	-1	3	183.232	1.632	10	30		ADEEHM
C#CCN[C@H](C(=O)[O-])C1(CC)CCC1	686134241	573135930	/nfs/dbraw/zinc/13/59/30/573135930.db2.gz	WHYYQTJKQXUBCW-SECBINFHSA-N	-1	3	195.262	1.243	10	30		ADEEHM
Cc1nc(-c2ncco2)[n-]c1C#N	259341052	573136892	/nfs/dbraw/zinc/13/68/92/573136892.db2.gz	CCXKPKDQURYRFR-UHFFFAOYSA-N	-1	3	174.163	1.245	10	30		ADEEHM
Cc1[n-]c(-c2ncco2)nc1C#N	259341052	573136895	/nfs/dbraw/zinc/13/68/95/573136895.db2.gz	CCXKPKDQURYRFR-UHFFFAOYSA-N	-1	3	174.163	1.245	10	30		ADEEHM
C=C[C@@H](C)NCc1ncccc1[O-]	308281313	573138219	/nfs/dbraw/zinc/13/82/19/573138219.db2.gz	XBMTWPMIKZTQBA-MRVPVSSYSA-N	-1	3	178.235	1.451	10	30		ADEEHM
C=C[C@H](C)NCc1ncccc1[O-]	308281314	573139680	/nfs/dbraw/zinc/13/96/80/573139680.db2.gz	XBMTWPMIKZTQBA-QMMMGPOBSA-N	-1	3	178.235	1.451	10	30		ADEEHM
CC1=C([O-])[C@@H](C)[C@@H](C)C1=O	141960169	573140202	/nfs/dbraw/zinc/14/02/02/573140202.db2.gz	JAENBJSQSWLYER-CRCLSJGQSA-N	-1	3	140.182	1.673	10	30		ADEEHM
C[C@@H](C1CC1)N(CCC#N)CC(=O)[O-]	308505509	573155178	/nfs/dbraw/zinc/15/51/78/573155178.db2.gz	ILODUPCVELNXBN-QMMMGPOBSA-N	-1	3	196.250	1.085	10	30		ADEEHM
O=C(CCCNc1ccccc1)N[O-]	308507148	573156926	/nfs/dbraw/zinc/15/69/26/573156926.db2.gz	GIMPDIGXOCNPKD-UHFFFAOYSA-N	-1	3	194.234	1.384	10	30		ADEEHM
C[C@H](C1CC1)N(CCC#N)CC(=O)[O-]	308505508	573157326	/nfs/dbraw/zinc/15/73/26/573157326.db2.gz	ILODUPCVELNXBN-MRVPVSSYSA-N	-1	3	196.250	1.085	10	30		ADEEHM
CC[C@H]1C([O-])=CC(=O)[C@@H]1C	238294493	573158300	/nfs/dbraw/zinc/15/83/00/573158300.db2.gz	KNKLVZBXSBEISH-PHDIDXHHSA-N	-1	3	140.182	1.673	10	30		ADEEHM
COc1[n-]c(=S)ccc1C#N	259956387	573159373	/nfs/dbraw/zinc/15/93/73/573159373.db2.gz	DWTZHUMBLMZLAZ-UHFFFAOYSA-N	-1	3	166.205	1.251	10	30		ADEEHM
CC[C@H]1C([O-])=CC(=O)[C@H]1C	238297321	573162390	/nfs/dbraw/zinc/16/23/90/573162390.db2.gz	KNKLVZBXSBEISH-NTSWFWBYSA-N	-1	3	140.182	1.673	10	30		ADEEHM
C#CCO[N-]C(=O)[C@H]1C[C@]1(C)CC	308285778	573163673	/nfs/dbraw/zinc/16/36/73/573163673.db2.gz	AWLSZYHLGDEVAX-SCZZXKLOSA-N	-1	3	181.235	1.104	10	30		ADEEHM
C#CCO[N-]C(=O)[C@@H]1C[C@@]1(C)CC	308285978	573165861	/nfs/dbraw/zinc/16/58/61/573165861.db2.gz	AWLSZYHLGDEVAX-WCBMZHEXSA-N	-1	3	181.235	1.104	10	30		ADEEHM
C#CCO[N-]C(=O)[C@@H]1C[C@]1(C)CC	308285992	573168654	/nfs/dbraw/zinc/16/86/54/573168654.db2.gz	AWLSZYHLGDEVAX-WPRPVWTQSA-N	-1	3	181.235	1.104	10	30		ADEEHM
Cc1c(F)ccc([O-])c1[C@H](N)CC#N	104675677	573170028	/nfs/dbraw/zinc/17/00/28/573170028.db2.gz	LLOKTGBEMFMTEZ-MRVPVSSYSA-N	-1	3	194.209	1.753	10	30		ADEEHM
Cc1c(F)ccc([O-])c1[C@@H](N)CC#N	104675679	573170285	/nfs/dbraw/zinc/17/02/85/573170285.db2.gz	LLOKTGBEMFMTEZ-QMMMGPOBSA-N	-1	3	194.209	1.753	10	30		ADEEHM
CNC(=O)SC(C)(C)/C=N/[O-]	238303420	573171648	/nfs/dbraw/zinc/17/16/48/573171648.db2.gz	ZSSZJWXOMXMGOY-XBXARRHUSA-N	-1	3	176.241	1.298	10	30		ADEEHM
C=C[C@H](N)c1ccc(F)cc1C(=O)[O-]	104676691	573173197	/nfs/dbraw/zinc/17/31/97/573173197.db2.gz	BVEVXOPGCZCIIL-VIFPVBQESA-N	-1	3	195.193	1.710	10	30		ADEEHM
COCc1cccc(CC#N)c1[O-]	257958151	573174010	/nfs/dbraw/zinc/17/40/10/573174010.db2.gz	GJHAZFUQFSTMEH-UHFFFAOYSA-N	-1	3	177.203	1.605	10	30		ADEEHM
CC(=O)Cc1c([O-])cccc1C#N	306568760	573175058	/nfs/dbraw/zinc/17/50/58/573175058.db2.gz	VJGYXZVZAKRYTL-UHFFFAOYSA-N	-1	3	175.187	1.395	10	30		ADEEHM
N#CCCCNCc1ncccc1[O-]	308509281	573175615	/nfs/dbraw/zinc/17/56/15/573175615.db2.gz	IHAILPYCDPOQKZ-UHFFFAOYSA-N	-1	3	191.234	1.181	10	30		ADEEHM
Cc1ccc(CC#N)c([O-])c1F	257959921	573175645	/nfs/dbraw/zinc/17/56/45/573175645.db2.gz	GRBJIUSFXHKQKM-UHFFFAOYSA-N	-1	3	165.167	1.906	10	30		ADEEHM
C=CCCC1(C(=O)[N-]OCC)CC1	308292494	573177301	/nfs/dbraw/zinc/17/73/01/573177301.db2.gz	FZGQUGOZKCVSNK-UHFFFAOYSA-N	-1	3	183.251	1.801	10	30		ADEEHM
N#CCCNCCCCCC(=O)[O-]	238625793	573176919	/nfs/dbraw/zinc/17/69/19/573176919.db2.gz	SLDHSKHTXGUBDI-UHFFFAOYSA-N	-1	3	184.239	1.135	10	30		ADEEHM
CC(=O)Cc1cccc([O-])c1C#N	306570233	573179779	/nfs/dbraw/zinc/17/97/79/573179779.db2.gz	YHRNCJZWBWTODV-UHFFFAOYSA-N	-1	3	175.187	1.395	10	30		ADEEHM
CC(C)(C)C(/C=N/O)=N/[O-]	104680370	573180617	/nfs/dbraw/zinc/18/06/17/573180617.db2.gz	JHZADOMLMMVHRB-NSLJXJERSA-N	-1	3	144.174	1.323	10	30		ADEEHM
CC(C)(C)C(/C=N/[O-])=N/O	104680370	573180618	/nfs/dbraw/zinc/18/06/18/573180618.db2.gz	JHZADOMLMMVHRB-NSLJXJERSA-N	-1	3	144.174	1.323	10	30		ADEEHM
C=C[C@H](N)c1cccc(C(=O)[O-])c1F	104682880	573182483	/nfs/dbraw/zinc/18/24/83/573182483.db2.gz	OWFQTLYFMPTFTJ-QMMMGPOBSA-N	-1	3	195.193	1.710	10	30		ADEEHM
N#Cc1cc(C(=O)c2ccco2)n[n-]1	259357799	573182595	/nfs/dbraw/zinc/18/25/95/573182595.db2.gz	CZMOKQVCKFFTQL-UHFFFAOYSA-N	-1	3	187.158	1.105	10	30		ADEEHM
N#Cc1cc(C(=O)c2ccco2)[n-]n1	259357799	573182602	/nfs/dbraw/zinc/18/26/02/573182602.db2.gz	CZMOKQVCKFFTQL-UHFFFAOYSA-N	-1	3	187.158	1.105	10	30		ADEEHM
C[C@@H](CC=O)c1cc([O-])c(F)cc1O	257960441	573185189	/nfs/dbraw/zinc/18/51/89/573185189.db2.gz	BWARHBHCSRBLPY-LURJTMIESA-N	-1	3	198.193	1.929	10	30		ADEEHM
N#Cc1ccc2c(c1[O-])OCCCO2	257962652	573188727	/nfs/dbraw/zinc/18/87/27/573188727.db2.gz	BYWJULMKHNOAGL-UHFFFAOYSA-N	-1	3	191.186	1.425	10	30		ADEEHM
COc1cc(F)c([O-])cc1CCC=O	257962691	573190340	/nfs/dbraw/zinc/19/03/40/573190340.db2.gz	BZQVFOSKGOUJCS-UHFFFAOYSA-N	-1	3	198.193	1.671	10	30		ADEEHM
CNC(=O)Oc1ccc(/C=N/[O-])cc1	238301696	573190732	/nfs/dbraw/zinc/19/07/32/573190732.db2.gz	FGLPFXWVMGBVSG-IZZDOVSWSA-N	-1	3	194.190	1.213	10	30		ADEEHM
CCOC(=S)[N-]CCCS	238301872	573191744	/nfs/dbraw/zinc/19/17/44/573191744.db2.gz	PQYLFBRPVSWUIE-UHFFFAOYSA-N	-1	3	179.310	1.217	10	30		ADEEHM
COc1ccc(C)c(C#N)c1[O-]	257966025	573196389	/nfs/dbraw/zinc/19/63/89/573196389.db2.gz	HNYGZVFYDSVJGO-UHFFFAOYSA-N	-1	3	163.176	1.581	10	30		ADEEHM
CC(C#N)=S([O-])c1cccs1	82788819	573196824	/nfs/dbraw/zinc/19/68/24/573196824.db2.gz	JIPYZCVAZSYCAY-KBUNVGBDSA-N	-1	3	185.273	1.768	10	30		ADEEHM
O=CCCc1c(F)ccc([O-])c1F	257966969	573197363	/nfs/dbraw/zinc/19/73/63/573197363.db2.gz	CGKBKLIBLVUPTK-UHFFFAOYSA-N	-1	3	186.157	1.802	10	30		ADEEHM
CC(C#N)=S([O-])c1cccs1	82788823	573197460	/nfs/dbraw/zinc/19/74/60/573197460.db2.gz	JIPYZCVAZSYCAY-KSBSHMNSSA-N	-1	3	185.273	1.768	10	30		ADEEHM
CC(C#N)=S([O-])c1cccs1	82788821	573198160	/nfs/dbraw/zinc/19/81/60/573198160.db2.gz	JIPYZCVAZSYCAY-UPONEAKYSA-N	-1	3	185.273	1.768	10	30		ADEEHM
CCO[P@]1(=O)C=CC([O-])=C1	238310586	573204457	/nfs/dbraw/zinc/20/44/57/573204457.db2.gz	PPUMXXQDCDKYJN-SNVBAGLBSA-N	-1	3	160.109	1.397	10	30		ADEEHM
C[C@@]1([S-])NC=CS1	104709090	573207104	/nfs/dbraw/zinc/20/71/04/573207104.db2.gz	LUYLACXCSWLZLY-BYPYZUCNSA-N	-1	3	133.241	1.398	10	30		ADEEHM
N#Cc1c([O-])c[nH]c1-c1cscn1	259376571	573207693	/nfs/dbraw/zinc/20/76/93/573207693.db2.gz	HSAGMUKWPYTFGE-UHFFFAOYSA-N	-1	3	191.215	1.715	10	30		ADEEHM
C[C@]1([S-])NC=CS1	104709086	573209682	/nfs/dbraw/zinc/20/96/82/573209682.db2.gz	LUYLACXCSWLZLY-SCSAIBSYSA-N	-1	3	133.241	1.398	10	30		ADEEHM
COc1ccc(C#N)c([O-])c1C	257971425	573210332	/nfs/dbraw/zinc/21/03/32/573210332.db2.gz	IJDRFHMQKPMAJV-UHFFFAOYSA-N	-1	3	163.176	1.581	10	30		ADEEHM
CC(C)/C=N/CCC(=O)[O-]	104715753	573213621	/nfs/dbraw/zinc/21/36/21/573213621.db2.gz	FQIMROANLRMBQX-VMPITWQZSA-N	-1	3	143.186	1.188	10	30		ADEEHM
CC[C@H](N)c1cc([O-])ccc1C#N	238313964	573213675	/nfs/dbraw/zinc/21/36/75/573213675.db2.gz	OQBQLHFOLSFSER-JTQLQIEISA-N	-1	3	176.219	1.674	10	30		ADEEHM
O=CCCc1c([O-])ccc(F)c1F	257974898	573219536	/nfs/dbraw/zinc/21/95/36/573219536.db2.gz	DDWSLZPRLORTKN-UHFFFAOYSA-N	-1	3	186.157	1.802	10	30		ADEEHM
CCc1ccc(C([O-])=C(C#N)C#N)o1	85975226	573220308	/nfs/dbraw/zinc/22/03/08/573220308.db2.gz	OZLHRDWHXOKSGS-UHFFFAOYSA-N	-1	3	188.186	1.688	10	30		ADEEHM
Cc1ccc(C([O-])=C(C#N)C#N)o1	85975318	573221914	/nfs/dbraw/zinc/22/19/14/573221914.db2.gz	HMVLXQJJEQWCSW-UHFFFAOYSA-N	-1	3	174.159	1.434	10	30		ADEEHM
COC(=O)Nc1ccc(/C=N/[O-])cc1	238323309	573231965	/nfs/dbraw/zinc/23/19/65/573231965.db2.gz	UYMKOWUENFWQQZ-UXBLZVDNSA-N	-1	3	194.190	1.673	10	30		ADEEHM
COC(=O)Nc1cccc(/C=N/[O-])c1	238323519	573233844	/nfs/dbraw/zinc/23/38/44/573233844.db2.gz	XHGVPIPFPISILD-UXBLZVDNSA-N	-1	3	194.190	1.673	10	30		ADEEHM
N#Cc1ccc2s[n-]c(=O)c2c1	306588658	573240361	/nfs/dbraw/zinc/24/03/61/573240361.db2.gz	TWGGZVYUJHBEPT-UHFFFAOYSA-N	-1	3	176.200	1.461	10	30		ADEEHM
N#CCCCNCc1ccc([O-])cn1	308521999	573241915	/nfs/dbraw/zinc/24/19/15/573241915.db2.gz	TZYQFGRFNQUZML-UHFFFAOYSA-N	-1	3	191.234	1.181	10	30		ADEEHM
C#C[C@@H](CC)NCc1ncccc1[O-]	308523019	573248301	/nfs/dbraw/zinc/24/83/01/573248301.db2.gz	PQLMGLFPVNBOLY-VIFPVBQESA-N	-1	3	190.246	1.289	10	30		ADEEHM
C#C[C@H](CC)NCc1ncccc1[O-]	308523018	573248466	/nfs/dbraw/zinc/24/84/66/573248466.db2.gz	PQLMGLFPVNBOLY-SECBINFHSA-N	-1	3	190.246	1.289	10	30		ADEEHM
C[C@@H]1CCC[C@](N)(C(=O)[N-]C#N)C1	86075916	573248702	/nfs/dbraw/zinc/24/87/02/573248702.db2.gz	ISBNTTUPVJPVHM-VXNVDRBHSA-N	-1	3	181.239	1.332	10	30		ADEEHM
C[C@H]1CCC[C@@](N)(C(=O)[N-]C#N)C1	86075921	573249044	/nfs/dbraw/zinc/24/90/44/573249044.db2.gz	ISBNTTUPVJPVHM-CBAPKCEASA-N	-1	3	181.239	1.332	10	30		ADEEHM
N#C[N-]C(=O)[C@@H](CN)c1ccccc1	86075984	573250080	/nfs/dbraw/zinc/25/00/80/573250080.db2.gz	XGSAWABCTZWKST-VIFPVBQESA-N	-1	3	189.218	1.166	10	30		ADEEHM
CCCNN=Cc1ccc([O-])cn1	308327724	573252541	/nfs/dbraw/zinc/25/25/41/573252541.db2.gz	GNECEJLBPKETFY-UHFFFAOYSA-N	-1	3	179.223	1.121	10	30		ADEEHM
C[C@H]1CC[C@@H](C)N1[C@@H](C)C(=O)[N-]C#N	86077122	573252542	/nfs/dbraw/zinc/25/25/42/573252542.db2.gz	WYQJDUXAWAUKOX-YIZRAAEISA-N	-1	3	195.266	1.685	10	30		ADEEHM
CCN([O-])C(=O)c1ccc(C#N)cc1	306874378	573257498	/nfs/dbraw/zinc/25/74/98/573257498.db2.gz	ZSGCRXWAMMJNKB-UHFFFAOYSA-N	-1	3	190.202	1.410	10	30		ADEEHM
COc1c(C)ccc(C#N)c1[O-]	257982852	573261682	/nfs/dbraw/zinc/26/16/82/573261682.db2.gz	JXNOQYIAEWJOFR-UHFFFAOYSA-N	-1	3	163.176	1.581	10	30		ADEEHM
CNC(=O)Oc1ccc(C=N[O-])cc1	308332284	573262258	/nfs/dbraw/zinc/26/22/58/573262258.db2.gz	FGLPFXWVMGBVSG-UHFFFAOYSA-N	-1	3	194.190	1.213	10	30		ADEEHM
COCc1ccc([O-])cc1C#N	238326890	573263314	/nfs/dbraw/zinc/26/33/14/573263314.db2.gz	UFTSBUSVSMYWAG-UHFFFAOYSA-N	-1	3	163.176	1.410	10	30		ADEEHM
Cc1nc(-c2cc(C#N)[n-]n2)oc1C	259400641	573263969	/nfs/dbraw/zinc/26/39/69/573263969.db2.gz	BJTNICWZGYRACQ-UHFFFAOYSA-N	-1	3	188.190	1.553	10	30		ADEEHM
Cc1nc(-c2cc(C#N)n[n-]2)oc1C	259400641	573263975	/nfs/dbraw/zinc/26/39/75/573263975.db2.gz	BJTNICWZGYRACQ-UHFFFAOYSA-N	-1	3	188.190	1.553	10	30		ADEEHM
Cc1nc(C(F)(F)F)n([O-])c1C#N	259400504	573267711	/nfs/dbraw/zinc/26/77/11/573267711.db2.gz	JTXQKYZYDRBYNX-UHFFFAOYSA-N	-1	3	191.112	1.319	10	30		ADEEHM
COC(=O)Nc1cccc(C=N[O-])c1	308339534	573268730	/nfs/dbraw/zinc/26/87/30/573268730.db2.gz	XHGVPIPFPISILD-UHFFFAOYSA-N	-1	3	194.190	1.673	10	30		ADEEHM
CCOC/C(=N/[O-])c1ccccc1O	308338012	573270625	/nfs/dbraw/zinc/27/06/25/573270625.db2.gz	SNHBPVJIBSQOGC-LUAWRHEFSA-N	-1	3	195.218	1.607	10	30		ADEEHM
CCOC/C(=N/O)c1ccccc1[O-]	308338012	573270627	/nfs/dbraw/zinc/27/06/27/573270627.db2.gz	SNHBPVJIBSQOGC-LUAWRHEFSA-N	-1	3	195.218	1.607	10	30		ADEEHM
O=CCCc1ccc(O)c([O-])c1F	257994143	573286844	/nfs/dbraw/zinc/28/68/44/573286844.db2.gz	FXZCRUMVTIGOON-UHFFFAOYSA-N	-1	3	184.166	1.368	10	30		ADEEHM
O=CCCc1ccc([O-])c(O)c1F	257994143	573286848	/nfs/dbraw/zinc/28/68/48/573286848.db2.gz	FXZCRUMVTIGOON-UHFFFAOYSA-N	-1	3	184.166	1.368	10	30		ADEEHM
N#Cc1nc2ccc(C=O)cc2[n-]1	306893884	573291350	/nfs/dbraw/zinc/29/13/50/573291350.db2.gz	KGAQAUGLYCASKI-UHFFFAOYSA-N	-1	3	171.159	1.247	10	30		ADEEHM
N#Cc1nc2cc(C=O)ccc2[n-]1	306893884	573291359	/nfs/dbraw/zinc/29/13/59/573291359.db2.gz	KGAQAUGLYCASKI-UHFFFAOYSA-N	-1	3	171.159	1.247	10	30		ADEEHM
CCC1=C([O-])CCC1=O	106120975	573296336	/nfs/dbraw/zinc/29/63/36/573296336.db2.gz	RDXQMMNEMFSXDO-UHFFFAOYSA-N	-1	3	126.155	1.571	10	30		ADEEHM
N#CC1(CNCCC(=O)[O-])CCCC1	405185760	573300913	/nfs/dbraw/zinc/30/09/13/573300913.db2.gz	IKUOBSPUZAYOLT-UHFFFAOYSA-N	-1	3	196.250	1.135	10	30		ADEEHM
Cc1c(C(=O)[O-])ccc(C#N)c1CN	306900850	573301407	/nfs/dbraw/zinc/30/14/07/573301407.db2.gz	MUDNKDXJOHFUQM-UHFFFAOYSA-N	-1	3	190.202	1.024	10	30		ADEEHM
N#Cc1ccc2nc(C#N)[n-]c2c1	306910343	573301589	/nfs/dbraw/zinc/30/15/89/573301589.db2.gz	IQMPBKLZVSEERD-UHFFFAOYSA-N	-1	3	168.159	1.306	10	30		ADEEHM
N#Cc1ccc2[n-]c(C#N)nc2c1	306910343	573301598	/nfs/dbraw/zinc/30/15/98/573301598.db2.gz	IQMPBKLZVSEERD-UHFFFAOYSA-N	-1	3	168.159	1.306	10	30		ADEEHM
Cc1ccc(F)c(OC/C(N)=N/[O-])c1	82939801	573306337	/nfs/dbraw/zinc/30/63/37/573306337.db2.gz	RYMIOMHTPZKFFG-UHFFFAOYSA-N	-1	3	198.197	1.259	10	30		ADEEHM
C#Cc1ccnc(C)c1[O-]	209766972	573306722	/nfs/dbraw/zinc/30/67/22/573306722.db2.gz	PZKOQYMTXJFTHJ-UHFFFAOYSA-N	-1	3	133.150	1.077	10	30		ADEEHM
C#Cc1c(C)cncc1[O-]	209763182	573309777	/nfs/dbraw/zinc/30/97/77/573309777.db2.gz	SNOIPSPRXUKRJF-UHFFFAOYSA-N	-1	3	133.150	1.077	10	30		ADEEHM
C#Cc1cnc(C)c([O-])c1	209766123	573309592	/nfs/dbraw/zinc/30/95/92/573309592.db2.gz	OEQIEOWQYRTCOU-UHFFFAOYSA-N	-1	3	133.150	1.077	10	30		ADEEHM
Cc1ccc(F)c(CCC=O)c1[O-]	258001370	573310828	/nfs/dbraw/zinc/31/08/28/573310828.db2.gz	GNLIFRMSEPBWCN-UHFFFAOYSA-N	-1	3	182.194	1.971	10	30		ADEEHM
CNC(=O)Nc1cccc(/C=N/[O-])c1	238351587	573316238	/nfs/dbraw/zinc/31/62/38/573316238.db2.gz	KZGHCKPFCNPYQH-IZZDOVSWSA-N	-1	3	193.206	1.246	10	30		ADEEHM
Cc1cc(CN)c(C#N)cc1C(=O)[O-]	306916279	573316712	/nfs/dbraw/zinc/31/67/12/573316712.db2.gz	WZGIOSPXRFBAOE-UHFFFAOYSA-N	-1	3	190.202	1.024	10	30		ADEEHM
CNC(=O)Nc1ccc(/C=N/[O-])cc1	238351438	573317335	/nfs/dbraw/zinc/31/73/35/573317335.db2.gz	ZHRKMPYLGGOXPI-IZZDOVSWSA-N	-1	3	193.206	1.246	10	30		ADEEHM
N#Cc1c[n-]c(F)cc1=S	306603414	573318699	/nfs/dbraw/zinc/31/86/99/573318699.db2.gz	MOQBEATUNYXRDE-UHFFFAOYSA-N	-1	3	154.169	1.381	10	30		ADEEHM
COc1c(CCC=O)ccc(F)c1[O-]	258003683	573319427	/nfs/dbraw/zinc/31/94/27/573319427.db2.gz	GQGKPPCRVXPPPJ-UHFFFAOYSA-N	-1	3	198.193	1.671	10	30		ADEEHM
C=C(C)CCOC(=O)c1cn[n-]c1	308347180	573320327	/nfs/dbraw/zinc/32/03/27/573320327.db2.gz	WDFGZNMJMQLDEZ-UHFFFAOYSA-N	-1	3	180.207	1.533	10	30		ADEEHM
COc1ccc(C#N)c(SC)c1[O-]	238341262	573320743	/nfs/dbraw/zinc/32/07/43/573320743.db2.gz	MZMSDFRRDMNULZ-UHFFFAOYSA-N	-1	3	195.243	1.994	10	30		ADEEHM
Cc1ccc(CCC=O)c([O-])c1F	258003807	573320984	/nfs/dbraw/zinc/32/09/84/573320984.db2.gz	GSOOHGZHFPXOAR-UHFFFAOYSA-N	-1	3	182.194	1.971	10	30		ADEEHM
[O-]/N=C/c1ccc(Cl)cn1	117074180	573321975	/nfs/dbraw/zinc/32/19/75/573321975.db2.gz	WODRWZMWFZSWQQ-RUDMXATFSA-N	-1	3	156.572	1.543	10	30		ADEEHM
CC(C)CN/N=C/c1ccccc1[O-]	308349774	573333316	/nfs/dbraw/zinc/33/33/16/573333316.db2.gz	AUGBSZRMIOJLFF-MDWZMJQESA-N	-1	3	192.262	1.972	10	30		ADEEHM
COc1c(C)cc(C)c(C#N)c1[O-]	258005350	573340676	/nfs/dbraw/zinc/34/06/76/573340676.db2.gz	MHROPIMNIRTRAJ-UHFFFAOYSA-N	-1	3	177.203	1.889	10	30		ADEEHM
Cc1nc(Cl)c2nnc(C#N)c-2[n-]1	259423897	573345447	/nfs/dbraw/zinc/34/54/47/573345447.db2.gz	LRXLRRHJVFTKHS-UHFFFAOYSA-N	-1	3	193.597	1.186	10	30		ADEEHM
Cc1nc2c(C#N)nnc-2c(Cl)[n-]1	259423897	573345452	/nfs/dbraw/zinc/34/54/52/573345452.db2.gz	LRXLRRHJVFTKHS-UHFFFAOYSA-N	-1	3	193.597	1.186	10	30		ADEEHM
Cc1nc(Cl)c2n[n-]c(C#N)c2n1	259423897	573345458	/nfs/dbraw/zinc/34/54/58/573345458.db2.gz	LRXLRRHJVFTKHS-UHFFFAOYSA-N	-1	3	193.597	1.186	10	30		ADEEHM
Cc1nc(Cl)c2[n-]nc(C#N)c2n1	259423897	573345460	/nfs/dbraw/zinc/34/54/60/573345460.db2.gz	LRXLRRHJVFTKHS-UHFFFAOYSA-N	-1	3	193.597	1.186	10	30		ADEEHM
COc1cccc(/C(C)=N/[O-])c1N	238365058	573350079	/nfs/dbraw/zinc/35/00/79/573350079.db2.gz	FJGJDZFEPJZKSN-IZZDOVSWSA-N	-1	3	180.207	1.476	10	30		ADEEHM
COc1cc(C)c(CC#N)c([O-])c1F	238366234	573351370	/nfs/dbraw/zinc/35/13/70/573351370.db2.gz	RAHNMGDUUOKSOX-UHFFFAOYSA-N	-1	3	195.193	1.914	10	30		ADEEHM
O=CCCc1cc(F)c(F)cc1[O-]	258006224	573353149	/nfs/dbraw/zinc/35/31/49/573353149.db2.gz	HANNOBHABPVOOA-UHFFFAOYSA-N	-1	3	186.157	1.802	10	30		ADEEHM
C#CCON[C@H](C)c1ccccc1[O-]	308561339	573358690	/nfs/dbraw/zinc/35/86/90/573358690.db2.gz	FLEWSUWAZNXLMI-SECBINFHSA-N	-1	3	191.230	1.608	10	30		ADEEHM
C=C[C@H](C)C1=C([O-])CCC1=O	238369199	573358037	/nfs/dbraw/zinc/35/80/37/573358037.db2.gz	OIPYQVGEPIOQGG-LURJTMIESA-N	-1	3	152.193	1.357	10	30		ADEEHM
COC1=CC(=O)C(C)(C)C([O-])=C1	238369300	573360313	/nfs/dbraw/zinc/36/03/13/573360313.db2.gz	UAZWQEGDCZKQNL-UHFFFAOYSA-N	-1	3	168.192	1.568	10	30		ADEEHM
COc1ccc([O-])c(CCC#N)c1F	214784864	573367326	/nfs/dbraw/zinc/36/73/26/573367326.db2.gz	JYCGBOPNEGGYQH-UHFFFAOYSA-N	-1	3	195.193	1.996	10	30		ADEEHM
Cc1ccsc1C([O-])=C(C#N)C#N	117854086	573372262	/nfs/dbraw/zinc/37/22/62/573372262.db2.gz	QVGSAQQNTWHDSL-UHFFFAOYSA-N	-1	3	190.227	1.903	10	30		ADEEHM
Cc1cc(CO)cc(C#N)c1[O-]	258014399	573372612	/nfs/dbraw/zinc/37/26/12/573372612.db2.gz	NHIMFGBFODBQKE-UHFFFAOYSA-N	-1	3	163.176	1.065	10	30		ADEEHM
COc1c(C)c(C#N)cc(C)c1[O-]	258014405	573372911	/nfs/dbraw/zinc/37/29/11/573372911.db2.gz	NHOQPBHUNHGGHM-UHFFFAOYSA-N	-1	3	177.203	1.889	10	30		ADEEHM
Cc1cc2cc(C#N)[n-]c2o1	259610195	573373959	/nfs/dbraw/zinc/37/39/59/573373959.db2.gz	DTNLHDVCDNXOFO-UHFFFAOYSA-N	-1	3	146.149	1.941	10	30		ADEEHM
CNC(=O)Nc1ccc(C=N[O-])cc1	308375978	573376673	/nfs/dbraw/zinc/37/66/73/573376673.db2.gz	ZHRKMPYLGGOXPI-UHFFFAOYSA-N	-1	3	193.206	1.246	10	30		ADEEHM
COc1cc(O)c([O-])c(C#N)c1F	258016930	573377372	/nfs/dbraw/zinc/37/73/72/573377372.db2.gz	HXKRZFKHWMXPIZ-UHFFFAOYSA-N	-1	3	183.138	1.117	10	30		ADEEHM
COc1cc([O-])c(O)c(C#N)c1F	258016930	573377379	/nfs/dbraw/zinc/37/73/79/573377379.db2.gz	HXKRZFKHWMXPIZ-UHFFFAOYSA-N	-1	3	183.138	1.117	10	30		ADEEHM
C#Cc1cc([O-])cc(C(=O)OC)c1	238372571	573378539	/nfs/dbraw/zinc/37/85/39/573378539.db2.gz	QLBKYOMURWOLBX-UHFFFAOYSA-N	-1	3	176.171	1.160	10	30		ADEEHM
Cc1cc(/C=N\[O-])ccc1F	118207084	573387818	/nfs/dbraw/zinc/38/78/18/573387818.db2.gz	LNCVAJPROYZHPO-YHYXMXQVSA-N	-1	3	153.156	1.942	10	30		ADEEHM
Cc1cc(CC#N)c(F)cc1[O-]	258012248	573387910	/nfs/dbraw/zinc/38/79/10/573387910.db2.gz	NEEJXFUEJCCWHP-UHFFFAOYSA-N	-1	3	165.167	1.906	10	30		ADEEHM
N#CC[C@H](N)c1c(F)ccc(N)c1[O-]	211724195	573389176	/nfs/dbraw/zinc/38/91/76/573389176.db2.gz	ZNWUZOHAUGIYRP-LURJTMIESA-N	-1	3	195.197	1.027	10	30		ADEEHM
N#CCCc1nc2ccoc2c(=O)[n-]1	259611218	573402652	/nfs/dbraw/zinc/40/26/52/573402652.db2.gz	GBIKTFFGEXMRDH-UHFFFAOYSA-N	-1	3	189.174	1.385	10	30		ADEEHM
N#Cc1nnc2ccc(C3CC3)[n-]c1-2	259439933	573401713	/nfs/dbraw/zinc/40/17/13/573401713.db2.gz	NAZACRLMQORBGV-UHFFFAOYSA-N	-1	3	184.202	1.707	10	30		ADEEHM
N#Cc1n[n-]c2ccc(C3CC3)nc12	259439933	573401716	/nfs/dbraw/zinc/40/17/16/573401716.db2.gz	NAZACRLMQORBGV-UHFFFAOYSA-N	-1	3	184.202	1.707	10	30		ADEEHM
N#Cc1[n-]nc2ccc(C3CC3)nc12	259439933	573401721	/nfs/dbraw/zinc/40/17/21/573401721.db2.gz	NAZACRLMQORBGV-UHFFFAOYSA-N	-1	3	184.202	1.707	10	30		ADEEHM
Cc1cc(C(C)(C)O)cc(C#N)c1[O-]	258019036	573418376	/nfs/dbraw/zinc/41/83/76/573418376.db2.gz	HYUNTQMUAJGNEZ-UHFFFAOYSA-N	-1	3	191.230	1.800	10	30		ADEEHM
N#CC[C@H](N)c1cc(N)c(F)cc1[O-]	211749701	573422491	/nfs/dbraw/zinc/42/24/91/573422491.db2.gz	MTGVWGVCWOPSQZ-ZETCQYMHSA-N	-1	3	195.197	1.027	10	30		ADEEHM
C=CCC[C@H]1CC(=O)C(C)=C1[O-]	238390998	573425351	/nfs/dbraw/zinc/42/53/51/573425351.db2.gz	KGEFMKMJHSJBAZ-SFYZADRCSA-N	-1	3	166.220	1.747	10	30		ADEEHM
Cc1nc([C@H](C)C#N)cc(=O)[n-]1	107221252	573425382	/nfs/dbraw/zinc/42/53/82/573425382.db2.gz	OQMYBRFFGLPWMJ-RXMQYKEDSA-N	-1	3	163.180	1.118	10	30		ADEEHM
C=C(C)C[C@@H]1CC(=O)C(C)=C1[O-]	238390590	573425694	/nfs/dbraw/zinc/42/56/94/573425694.db2.gz	QQXZYUPADLJBPK-HTQZYQBOSA-N	-1	3	166.220	1.747	10	30		ADEEHM
Cc1nc([C@@H](C)C#N)cc(=O)[n-]1	107221249	573425880	/nfs/dbraw/zinc/42/58/80/573425880.db2.gz	OQMYBRFFGLPWMJ-YFKPBYRVSA-N	-1	3	163.180	1.118	10	30		ADEEHM
C[C@H](CC=O)c1ccc([O-])cc1C=O	258030226	573429020	/nfs/dbraw/zinc/42/90/20/573429020.db2.gz	IXBDYMCLYPCODU-MRVPVSSYSA-N	-1	3	192.214	1.897	10	30		ADEEHM
C[C@@H](CC=O)c1ccc([O-])cc1C=O	258030228	573429532	/nfs/dbraw/zinc/42/95/32/573429532.db2.gz	IXBDYMCLYPCODU-QMMMGPOBSA-N	-1	3	192.214	1.897	10	30		ADEEHM
COC(=O)c1cc([O-])c(C#N)cc1C	118880089	573432417	/nfs/dbraw/zinc/43/24/17/573432417.db2.gz	CBDAVKKXLOUZNM-UHFFFAOYSA-N	-1	3	191.186	1.359	10	30		ADEEHM
C[C@H]1CCCN(CCC#N)[C@@H]1C(=O)[O-]	235595417	573437392	/nfs/dbraw/zinc/43/73/92/573437392.db2.gz	TWVFSRVUFMORNF-IUCAKERBSA-N	-1	3	196.250	1.085	10	30		ADEEHM
COc1cc(C#N)c([O-])cc1C	258021990	573437466	/nfs/dbraw/zinc/43/74/66/573437466.db2.gz	ODVKVXNEHFTHSU-UHFFFAOYSA-N	-1	3	163.176	1.581	10	30		ADEEHM
COc1cccc(/C=N/[O-])c1N	238395962	573439489	/nfs/dbraw/zinc/43/94/89/573439489.db2.gz	NGTZOTPHDYEJGJ-BJMVGYQFSA-N	-1	3	166.180	1.086	10	30		ADEEHM
CCC(=O)C=C([O-])C(F)(F)F	136039209	573444272	/nfs/dbraw/zinc/44/42/72/573444272.db2.gz	MCMFFXGKXSLZSZ-HYXAFXHYSA-N	-1	3	168.114	1.970	10	30		ADEEHM
C[C@@H]1C=CC[C@@H]2C(=O)C=C([O-])[C@@H]21	238402430	573458203	/nfs/dbraw/zinc/45/82/03/573458203.db2.gz	CUAVUMSUCQHWHW-BRDIYROLSA-N	-1	3	164.204	1.839	10	30		ADEEHM
C[C@@H](CC=O)c1ccc([O-])c(O)c1F	258033226	573459620	/nfs/dbraw/zinc/45/96/20/573459620.db2.gz	JCKXMWFCCPZHLP-LURJTMIESA-N	-1	3	198.193	1.929	10	30		ADEEHM
C[C@@H](CC=O)c1ccc(O)c([O-])c1F	258033226	573459615	/nfs/dbraw/zinc/45/96/15/573459615.db2.gz	JCKXMWFCCPZHLP-LURJTMIESA-N	-1	3	198.193	1.929	10	30		ADEEHM
CC(C)C(=O)c1cc(C#N)[n-]n1	259460842	573462658	/nfs/dbraw/zinc/46/26/58/573462658.db2.gz	LUXUPNFPHCXWSA-UHFFFAOYSA-N	-1	3	163.180	1.120	10	30		ADEEHM
CC(C)C(=O)c1cc(C#N)n[n-]1	259460842	573462663	/nfs/dbraw/zinc/46/26/63/573462663.db2.gz	LUXUPNFPHCXWSA-UHFFFAOYSA-N	-1	3	163.180	1.120	10	30		ADEEHM
COc1cc([O-])c([C@@H](C)O)cc1C#N	258036028	573464098	/nfs/dbraw/zinc/46/40/98/573464098.db2.gz	JIWQQIHLQFQDQO-ZCFIWIBFSA-N	-1	3	193.202	1.326	10	30		ADEEHM
COc1c([O-])ccc(Cl)c1C#N	258036008	573465431	/nfs/dbraw/zinc/46/54/31/573465431.db2.gz	JIJGQCIPXXVVPB-UHFFFAOYSA-N	-1	3	183.594	1.926	10	30		ADEEHM
COc1ccc(CCC=O)c(F)c1[O-]	258036212	573465978	/nfs/dbraw/zinc/46/59/78/573465978.db2.gz	JNCFYSLOURPNPX-UHFFFAOYSA-N	-1	3	198.193	1.671	10	30		ADEEHM
COc1cc([O-])c([C@H](C)O)cc1C#N	258036027	573466399	/nfs/dbraw/zinc/46/63/99/573466399.db2.gz	JIWQQIHLQFQDQO-LURJTMIESA-N	-1	3	193.202	1.326	10	30		ADEEHM
C[C@H](C=O)Cc1ccc(C#N)c([O-])c1	238403887	573466429	/nfs/dbraw/zinc/46/64/29/573466429.db2.gz	IOTMFJJMXPJNJJ-QMMMGPOBSA-N	-1	3	189.214	1.641	10	30		ADEEHM
C[C@H](C=O)Cc1ccc(C#N)cc1[O-]	238404017	573466455	/nfs/dbraw/zinc/46/64/55/573466455.db2.gz	RUWFFSDAXCNFRB-QMMMGPOBSA-N	-1	3	189.214	1.641	10	30		ADEEHM
N#Cc1[n-]nc2c(Cl)ccnc12	259464782	573478466	/nfs/dbraw/zinc/47/84/66/573478466.db2.gz	PLCLSGHECGJTAL-UHFFFAOYSA-N	-1	3	178.582	1.483	10	30		ADEEHM
Cc1c([C@H](C)C#N)nc[n-]c1=O	107287566	573481831	/nfs/dbraw/zinc/48/18/31/573481831.db2.gz	MWPNUBVLGIDUPN-RXMQYKEDSA-N	-1	3	163.180	1.118	10	30		ADEEHM
Cc1[nH]c(-c2ccncc2)c(C#N)c1[O-]	259469516	573482237	/nfs/dbraw/zinc/48/22/37/573482237.db2.gz	PWDZCLHKJJVJFM-UHFFFAOYSA-N	-1	3	199.213	1.962	10	30		ADEEHM
COc1cc([O-])c(F)c(CCC=O)c1	258039275	573487344	/nfs/dbraw/zinc/48/73/44/573487344.db2.gz	JRXVXFUARXXPDR-UHFFFAOYSA-N	-1	3	198.193	1.671	10	30		ADEEHM
Cc1cc(CCON)cc(C#N)c1[O-]	258039202	573488174	/nfs/dbraw/zinc/48/81/74/573488174.db2.gz	JQOHVKVKJHUEPJ-UHFFFAOYSA-N	-1	3	192.218	1.005	10	30		ADEEHM
C[C@H](N)c1cc(C(=O)[O-])ccc1C#N	238416114	573489429	/nfs/dbraw/zinc/48/94/29/573489429.db2.gz	GZTYUKCGWPFARU-LURJTMIESA-N	-1	3	190.202	1.276	10	30		ADEEHM
C[C@H](C=O)Cc1ccc(F)c([O-])c1	238406531	573489783	/nfs/dbraw/zinc/48/97/83/573489783.db2.gz	IKDLZMFDYHIWHI-ZETCQYMHSA-N	-1	3	182.194	1.909	10	30		ADEEHM
C#C[C@@H](C)Oc1ccc(C=O)c([O-])c1	238416204	573489870	/nfs/dbraw/zinc/48/98/70/573489870.db2.gz	NGZUWRBNECRYPT-MRVPVSSYSA-N	-1	3	190.198	1.605	10	30		ADEEHM
C=CC[C@H]1C(=O)C=C([O-])C[C@H]1C	238408097	573493139	/nfs/dbraw/zinc/49/31/39/573493139.db2.gz	ZVCZZWJCWOPENN-VXNVDRBHSA-N	-1	3	166.220	1.747	10	30		ADEEHM
CC(C)(C)C1CN(CC#CC(=O)[O-])C1	717456751	573497198	/nfs/dbraw/zinc/49/71/98/573497198.db2.gz	IJXFSRTXCURQQG-UHFFFAOYSA-N	-1	3	195.262	1.052	10	30		ADEEHM
N#Cc1c([O-])c[nH]c1-c1ccncc1	259477413	573496707	/nfs/dbraw/zinc/49/67/07/573496707.db2.gz	QTRBVPITYBEBRJ-UHFFFAOYSA-N	-1	3	185.186	1.654	10	30		ADEEHM
C[C@@](N)(CC#N)c1cc(F)ccc1[O-]	238420790	573497535	/nfs/dbraw/zinc/49/75/35/573497535.db2.gz	IDNIDLGRAOFUGG-SNVBAGLBSA-N	-1	3	194.209	1.619	10	30		ADEEHM
N#Cc1cc(CF)ccc1[O-]	258048283	573504370	/nfs/dbraw/zinc/50/43/70/573504370.db2.gz	QXTAGSUQIGSELC-UHFFFAOYSA-N	-1	3	151.140	1.733	10	30		ADEEHM
Cc1ccc(F)c([O-])c1CCC=O	258050271	573507831	/nfs/dbraw/zinc/50/78/31/573507831.db2.gz	KMFSZDDZEIGSHA-UHFFFAOYSA-N	-1	3	182.194	1.971	10	30		ADEEHM
N#Cc1cc([O-])c(O)c(F)c1	258050559	573509622	/nfs/dbraw/zinc/50/96/22/573509622.db2.gz	RJJXLUMSERKCOO-UHFFFAOYSA-N	-1	3	153.112	1.109	10	30		ADEEHM
CC(C)c1ccc2nnc(C#N)c-2[n-]1	259484150	573515495	/nfs/dbraw/zinc/51/54/95/573515495.db2.gz	RTZBNQROQKLMKQ-UHFFFAOYSA-N	-1	3	186.218	1.953	10	30		ADEEHM
CC(C)c1ccc2n[n-]c(C#N)c2n1	259484150	573515500	/nfs/dbraw/zinc/51/55/00/573515500.db2.gz	RTZBNQROQKLMKQ-UHFFFAOYSA-N	-1	3	186.218	1.953	10	30		ADEEHM
CC(C)c1ccc2[n-]nc(C#N)c2n1	259484150	573515505	/nfs/dbraw/zinc/51/55/05/573515505.db2.gz	RTZBNQROQKLMKQ-UHFFFAOYSA-N	-1	3	186.218	1.953	10	30		ADEEHM
N#Cc1cc([O-])c2[nH]ccc2c1	259613981	573517106	/nfs/dbraw/zinc/51/71/06/573517106.db2.gz	FCSHQXLUSZIUMX-UHFFFAOYSA-N	-1	3	158.160	1.745	10	30		ADEEHM
N#CC[C@@H]1CCCc2c1nc[n-]c2=O	259484551	573517891	/nfs/dbraw/zinc/51/78/91/573517891.db2.gz	CGUNGKDUBKBUMK-ZETCQYMHSA-N	-1	3	189.218	1.516	10	30		ADEEHM
C[C@@H]1CC(=O)C(O)=C([O-])C1	238424634	573520733	/nfs/dbraw/zinc/52/07/33/573520733.db2.gz	RAVMTTWOWXYCBN-SCSAIBSYSA-N	-1	3	142.154	1.313	10	30		ADEEHM
C[C@H]1CC(=O)C(O)=C([O-])C1	238424634	573520740	/nfs/dbraw/zinc/52/07/40/573520740.db2.gz	RAVMTTWOWXYCBN-SCSAIBSYSA-N	-1	3	142.154	1.313	10	30		ADEEHM
N#Cc1c([O-])cc2n1CCCCC2	259486803	573523267	/nfs/dbraw/zinc/52/32/67/573523267.db2.gz	AUZNRZQEXXXCGG-UHFFFAOYSA-N	-1	3	176.219	1.792	10	30		ADEEHM
C[C@@H](N)c1cc([O-])ccc1C#N	238425169	573526122	/nfs/dbraw/zinc/52/61/22/573526122.db2.gz	FHOMKVXPFLZIMQ-ZCFIWIBFSA-N	-1	3	162.192	1.284	10	30		ADEEHM
Cc1cc(F)c([O-])c(CC=O)c1	107330915	573529223	/nfs/dbraw/zinc/52/92/23/573529223.db2.gz	ORIYOECRCHPMPJ-UHFFFAOYSA-N	-1	3	168.167	1.581	10	30		ADEEHM
Cn1ccc(-c2[nH]cc([O-])c2C#N)c1	259490047	573529224	/nfs/dbraw/zinc/52/92/24/573529224.db2.gz	SHUZQEOLVMOPTJ-UHFFFAOYSA-N	-1	3	187.202	1.597	10	30		ADEEHM
CO[P@@]1(=O)OC=C([O-])C=C1C	238429112	573530768	/nfs/dbraw/zinc/53/07/68/573530768.db2.gz	IKAHIMRARYAPAT-LLVKDONJSA-N	-1	3	176.108	1.329	10	30		ADEEHM
COc1c(C)cc(C#N)c(F)c1[O-]	258054462	573536126	/nfs/dbraw/zinc/53/61/26/573536126.db2.gz	RUOIZOZRIVYDTC-UHFFFAOYSA-N	-1	3	181.166	1.720	10	30		ADEEHM
O=CC(F)(F)c1ccccc1[O-]	257828102	573534766	/nfs/dbraw/zinc/53/47/66/573534766.db2.gz	ICERWKVZUCRPRY-UHFFFAOYSA-N	-1	3	172.130	1.683	10	30		ADEEHM
COc1cc(C#N)c(C)c(C)c1[O-]	258054541	573534976	/nfs/dbraw/zinc/53/49/76/573534976.db2.gz	RWQWVCHSICYDLD-UHFFFAOYSA-N	-1	3	177.203	1.889	10	30		ADEEHM
CO[P@]1(=O)OC=C([O-])C=C1C	238430561	573538662	/nfs/dbraw/zinc/53/86/62/573538662.db2.gz	IKAHIMRARYAPAT-NSHDSACASA-N	-1	3	176.108	1.329	10	30		ADEEHM
C[C@H](CC=O)c1ccc(O)c(F)c1[O-]	258056414	573540953	/nfs/dbraw/zinc/54/09/53/573540953.db2.gz	LCIVCUVJEVXYAV-ZCFIWIBFSA-N	-1	3	198.193	1.929	10	30		ADEEHM
C=C[C@@H](C)C1=C([O-])CCC1=O	238434712	573543386	/nfs/dbraw/zinc/54/33/86/573543386.db2.gz	OIPYQVGEPIOQGG-ZCFIWIBFSA-N	-1	3	152.193	1.357	10	30		ADEEHM
O=CCc1cc(F)c(Cl)cc1[O-]	107349333	573543717	/nfs/dbraw/zinc/54/37/17/573543717.db2.gz	UCUCIYKRKNVXDD-UHFFFAOYSA-N	-1	3	188.585	1.926	10	30		ADEEHM
CCc1cc(C)c([O-])c(/C(N)=N\O)c1	107359034	573545067	/nfs/dbraw/zinc/54/50/67/573545067.db2.gz	MCIOZUSQXBATKK-UHFFFAOYSA-N	-1	3	194.234	1.358	10	30		ADEEHM
COc1c(C)cc(F)cc1/C(N)=N\[O-]	107366495	573547504	/nfs/dbraw/zinc/54/75/04/573547504.db2.gz	HHGZANHKLOHMJO-UHFFFAOYSA-N	-1	3	198.197	1.237	10	30		ADEEHM
Cc1cc(F)c([O-])c(C/C(N)=N/O)c1	107366500	573548360	/nfs/dbraw/zinc/54/83/60/573548360.db2.gz	MBARVDYCGCCOLB-UHFFFAOYSA-N	-1	3	198.197	1.129	10	30		ADEEHM
COc1c(F)cc(C)cc1/C(N)=N\[O-]	107366502	573548459	/nfs/dbraw/zinc/54/84/59/573548459.db2.gz	VHFUOZZPTWMIRB-UHFFFAOYSA-N	-1	3	198.197	1.237	10	30		ADEEHM
C=C(C)C[C@H]1C([O-])=CC(=O)[C@@H]1C	238437389	573550802	/nfs/dbraw/zinc/55/08/02/573550802.db2.gz	MSQNJLPTUSOKEZ-HTQZYQBOSA-N	-1	3	166.220	1.747	10	30		ADEEHM
CN=Nc1ccc(O)c([O-])c1	197046086	573552585	/nfs/dbraw/zinc/55/25/85/573552585.db2.gz	PZWHPXZSKYXRIN-UHFFFAOYSA-N	-1	3	152.153	1.125	10	30		ADEEHM
N#Cc1c([O-])c[nH]c1-c1cccnc1	259504744	573556636	/nfs/dbraw/zinc/55/66/36/573556636.db2.gz	VDIJPXYCQZKSJU-UHFFFAOYSA-N	-1	3	185.186	1.654	10	30		ADEEHM
Cc1cc(CC#N)cc([O-])c1F	258060272	573556787	/nfs/dbraw/zinc/55/67/87/573556787.db2.gz	SLWXEHNPZKLBFD-UHFFFAOYSA-N	-1	3	165.167	1.906	10	30		ADEEHM
CSCC(=O)C(C#N)=C([O-])C(C)C	393535668	573559322	/nfs/dbraw/zinc/55/93/22/573559322.db2.gz	CMWOAIZRTJQWOD-SSDOTTSWSA-N	-1	3	199.275	1.283	10	30		ADEEHM
C[C@H](CO)CC(=N[O-])c1ccccc1	308623848	573569511	/nfs/dbraw/zinc/56/95/11/573569511.db2.gz	IMZYBSKPBMPDNT-VIFPVBQESA-N	-1	3	193.246	1.883	10	30		ADEEHM
C=CC[N-]C(=S)OCCC	144334315	573580679	/nfs/dbraw/zinc/58/06/79/573580679.db2.gz	BRQFNNQUZPSLIR-UHFFFAOYSA-N	-1	3	159.254	1.474	10	30		ADEEHM
O=c1[nH]c2cccccc-2c1C=N[O-]	308403990	573582109	/nfs/dbraw/zinc/58/21/09/573582109.db2.gz	ZRPATXGIKWBSOX-UHFFFAOYSA-N	-1	3	188.186	1.288	10	30		ADEEHM
N#Cc1c([O-])c[nH]c1Cc1ccncc1	259521868	573591099	/nfs/dbraw/zinc/59/10/99/573591099.db2.gz	XKTBIAZHGPWGGW-UHFFFAOYSA-N	-1	3	199.213	1.578	10	30		ADEEHM
[O-]/N=C(/Cl)c1cn2ccccc2n1	236387049	573596677	/nfs/dbraw/zinc/59/66/77/573596677.db2.gz	DDZIXVZELSBJMG-DHZHZOJOSA-N	-1	3	195.609	1.709	10	30		ADEEHM
C#CC[C@H](C)NCc1ncccc1[O-]	308646534	573599082	/nfs/dbraw/zinc/59/90/82/573599082.db2.gz	HWZPIRPETJVMPB-VIFPVBQESA-N	-1	3	190.246	1.289	10	30		ADEEHM
O=C(C1=CCCCCC1)c1cnn[n-]1	236393407	573598895	/nfs/dbraw/zinc/59/88/95/573598895.db2.gz	UPVFDBWLXVCHSS-UHFFFAOYSA-N	-1	3	191.234	1.878	10	30		ADEEHM
O=C(C1=CCCCCC1)c1c[n-]nn1	236393407	573598900	/nfs/dbraw/zinc/59/89/00/573598900.db2.gz	UPVFDBWLXVCHSS-UHFFFAOYSA-N	-1	3	191.234	1.878	10	30		ADEEHM
O=C(C1=CCCCCC1)c1cn[n-]n1	236393407	573598905	/nfs/dbraw/zinc/59/89/05/573598905.db2.gz	UPVFDBWLXVCHSS-UHFFFAOYSA-N	-1	3	191.234	1.878	10	30		ADEEHM
[S-]C1(c2ccco2)COC1	258502551	573599831	/nfs/dbraw/zinc/59/98/31/573599831.db2.gz	FAESCJDZWBDAMU-UHFFFAOYSA-N	-1	3	156.206	1.435	10	30		ADEEHM
C#CC[C@@H](C)NCc1ncccc1[O-]	308646532	573600323	/nfs/dbraw/zinc/60/03/23/573600323.db2.gz	HWZPIRPETJVMPB-SECBINFHSA-N	-1	3	190.246	1.289	10	30		ADEEHM
C[C@@H](C=O)Cc1ccc(C#N)cc1[O-]	238457666	573600789	/nfs/dbraw/zinc/60/07/89/573600789.db2.gz	RUWFFSDAXCNFRB-MRVPVSSYSA-N	-1	3	189.214	1.641	10	30		ADEEHM
Cc1nc2c(c(=O)[n-]1)[C@@H](C#N)SC2	259526596	573603459	/nfs/dbraw/zinc/60/34/59/573603459.db2.gz	BKIJTDUUXJIBAF-ZCFIWIBFSA-N	-1	3	193.231	1.302	10	30		ADEEHM
Cc1cc(C(=O)[O-])cc(C#N)c1CN	306669188	573603758	/nfs/dbraw/zinc/60/37/58/573603758.db2.gz	AXEGMWVNQDYUEG-UHFFFAOYSA-N	-1	3	190.202	1.024	10	30		ADEEHM
Cc1nc2c(c(=O)[n-]1)[C@H](C#N)SC2	259526593	573604114	/nfs/dbraw/zinc/60/41/14/573604114.db2.gz	BKIJTDUUXJIBAF-LURJTMIESA-N	-1	3	193.231	1.302	10	30		ADEEHM
C=CCn1c(C)cc(=O)[n-]c1=S	238446334	573605197	/nfs/dbraw/zinc/60/51/97/573605197.db2.gz	HRKCCELCTAFTNT-UHFFFAOYSA-N	-1	3	182.248	1.400	10	30		ADEEHM
N#Cc1cc(CCC=O)c(O)cc1[O-]	258067420	573610774	/nfs/dbraw/zinc/61/07/74/573610774.db2.gz	LYBCCKWBHWMMTK-UHFFFAOYSA-N	-1	3	191.186	1.101	10	30		ADEEHM
COc1cc(O)c([O-])c(CC#N)c1F	258067358	573610896	/nfs/dbraw/zinc/61/08/96/573610896.db2.gz	LWYCPQIJDBTJMW-UHFFFAOYSA-N	-1	3	197.165	1.312	10	30		ADEEHM
Cc1[nH]c(-c2ccccn2)c(C#N)c1[O-]	259529585	573615666	/nfs/dbraw/zinc/61/56/66/573615666.db2.gz	YGKNGWBBQIWYJE-UHFFFAOYSA-N	-1	3	199.213	1.962	10	30		ADEEHM
C=CC[C@H]1C([O-])=CC(=O)C[C@@H]1C	238450968	573617772	/nfs/dbraw/zinc/61/77/72/573617772.db2.gz	ZVCZZWJCWOPENN-IONNQARKSA-N	-1	3	166.220	1.747	10	30		ADEEHM
C=CC[C@H]1C(=O)C=C([O-])C[C@@H]1C	238450968	573617781	/nfs/dbraw/zinc/61/77/81/573617781.db2.gz	ZVCZZWJCWOPENN-IONNQARKSA-N	-1	3	166.220	1.747	10	30		ADEEHM
C=CC[C@@H]1C([O-])=CC(=O)C[C@@H]1C	238450984	573618079	/nfs/dbraw/zinc/61/80/79/573618079.db2.gz	ZVCZZWJCWOPENN-CBAPKCEASA-N	-1	3	166.220	1.747	10	30		ADEEHM
C=CC[C@@H]1C(=O)C=C([O-])C[C@@H]1C	238450984	573618087	/nfs/dbraw/zinc/61/80/87/573618087.db2.gz	ZVCZZWJCWOPENN-CBAPKCEASA-N	-1	3	166.220	1.747	10	30		ADEEHM
Cc1cc(F)ccc1/C=N\[O-]	213163088	573626488	/nfs/dbraw/zinc/62/64/88/573626488.db2.gz	BEIDVJKXDKFJSZ-YHYXMXQVSA-N	-1	3	153.156	1.942	10	30		ADEEHM
C[C@@H](C=O)Cc1ccc(F)c([O-])c1	238459630	573633691	/nfs/dbraw/zinc/63/36/91/573633691.db2.gz	IKDLZMFDYHIWHI-SSDOTTSWSA-N	-1	3	182.194	1.909	10	30		ADEEHM
N#CCc1ccc([O-])cc1C=O	258074564	573633731	/nfs/dbraw/zinc/63/37/31/573633731.db2.gz	UVEPIFXPUSSXPS-UHFFFAOYSA-N	-1	3	161.160	1.271	10	30		ADEEHM
C[C@@H](C=O)Cc1ccc(F)cc1[O-]	238460220	573635317	/nfs/dbraw/zinc/63/53/17/573635317.db2.gz	KRNAJAJZFRPIEM-SSDOTTSWSA-N	-1	3	182.194	1.909	10	30		ADEEHM
C[C@H](C#N)CN(CC(=O)[O-])C1CCC1	308654722	573644437	/nfs/dbraw/zinc/64/44/37/573644437.db2.gz	MTPWEXDSKRWFFU-MRVPVSSYSA-N	-1	3	196.250	1.085	10	30		ADEEHM
CC(=NN)c1ccccc1[O-]	263596314	573642038	/nfs/dbraw/zinc/64/20/38/573642038.db2.gz	FMVDSUCZMVVYMK-UHFFFAOYSA-N	-1	3	150.181	1.075	10	30		ADEEHM
COc1cc([O-])cc(C#N)c1OC	209810858	573642202	/nfs/dbraw/zinc/64/22/02/573642202.db2.gz	AZQGCWIUTPTOOV-UHFFFAOYSA-N	-1	3	179.175	1.281	10	30	in-vitro	ADEEHM
COc1cc(C#N)c([C@@H](C)N)cc1[O-]	238463882	573642459	/nfs/dbraw/zinc/64/24/59/573642459.db2.gz	BJZZYOJQWCQKJQ-ZCFIWIBFSA-N	-1	3	192.218	1.292	10	30		ADEEHM
CN(C)N=Cc1ccccc1[O-]	263596452	573642465	/nfs/dbraw/zinc/64/24/65/573642465.db2.gz	FRBHOAJTMYUBGD-UHFFFAOYSA-N	-1	3	164.208	1.288	10	30		ADEEHM
C[C@@H](C#N)CN(CC(=O)[O-])C1CCC1	308654723	573642878	/nfs/dbraw/zinc/64/28/78/573642878.db2.gz	MTPWEXDSKRWFFU-QMMMGPOBSA-N	-1	3	196.250	1.085	10	30		ADEEHM
CC(=O)N([O-])Cc1ccnc(C)c1	96863107	573643755	/nfs/dbraw/zinc/64/37/55/573643755.db2.gz	JASBCEFVFNFWOF-UHFFFAOYSA-N	-1	3	180.207	1.128	10	30		ADEEHM
COc1ccc2c(c1)CCC2=N[O-]	263607109	573644536	/nfs/dbraw/zinc/64/45/36/573644536.db2.gz	ROZVRQXOAGSIOW-UHFFFAOYSA-N	-1	3	177.203	1.820	10	30		ADEEHM
CC(=O)N([O-])Cc1cc(C)n(C)c1	96864167	573646334	/nfs/dbraw/zinc/64/63/34/573646334.db2.gz	GQSLPTJIJDKHOS-UHFFFAOYSA-N	-1	3	182.223	1.071	10	30		ADEEHM
CC(=O)N=Cc1ccccc1[O-]	263609436	573649606	/nfs/dbraw/zinc/64/96/06/573649606.db2.gz	VBPVHPHDUYLNHQ-UHFFFAOYSA-N	-1	3	163.176	1.358	10	30		ADEEHM
C#C[C@H](C)Oc1ccc(C=O)c([O-])c1	238466464	573649808	/nfs/dbraw/zinc/64/98/08/573649808.db2.gz	NGZUWRBNECRYPT-QMMMGPOBSA-N	-1	3	190.198	1.605	10	30		ADEEHM
C[C@@H](CC#N)NCc1ccc([O-])cn1	308656488	573650466	/nfs/dbraw/zinc/65/04/66/573650466.db2.gz	OIHLAPONRBABPX-QMMMGPOBSA-N	-1	3	191.234	1.179	10	30		ADEEHM
COC(=O)c1c(C#N)[n-]ccc1=S	307117047	573650689	/nfs/dbraw/zinc/65/06/89/573650689.db2.gz	BZBWVIHBDSXMQU-UHFFFAOYSA-N	-1	3	194.215	1.029	10	30		ADEEHM
C[C@H]1CC(=O)C=C1[O-]	238466167	573650910	/nfs/dbraw/zinc/65/09/10/573650910.db2.gz	PIZMFNXTPMMJON-BYPYZUCNSA-N	-1	3	112.128	1.037	10	30		ADEEHM
N#CCc1nc(=O)c2ccsc2[n-]1	259542403	573651065	/nfs/dbraw/zinc/65/10/65/573651065.db2.gz	CRWYAXXCOYKFJJ-UHFFFAOYSA-N	-1	3	191.215	1.463	10	30		ADEEHM
CC(=NN)c1ccc([O-])c(F)c1	388469342	573652830	/nfs/dbraw/zinc/65/28/30/573652830.db2.gz	LKAMGINAQKWKMU-UHFFFAOYSA-N	-1	3	168.171	1.214	10	30		ADEEHM
Cc1nsc(-c2cc(C#N)[n-]n2)n1	259542391	573653803	/nfs/dbraw/zinc/65/38/03/573653803.db2.gz	CRNBZVFSMRHJRF-UHFFFAOYSA-N	-1	3	191.219	1.108	10	30		ADEEHM
Cc1nsc(-c2cc(C#N)n[n-]2)n1	259542391	573653809	/nfs/dbraw/zinc/65/38/09/573653809.db2.gz	CRNBZVFSMRHJRF-UHFFFAOYSA-N	-1	3	191.219	1.108	10	30		ADEEHM
Cc1ccc(C#N)c(CN)c1C(=O)[O-]	307114431	573654227	/nfs/dbraw/zinc/65/42/27/573654227.db2.gz	TVRVXULJYLNNKV-UHFFFAOYSA-N	-1	3	190.202	1.024	10	30		ADEEHM
CCC(C#N)=C([O-])c1ccccn1	259153514	573658051	/nfs/dbraw/zinc/65/80/51/573658051.db2.gz	ODRLTKIRKFOQSD-QMMMGPOBSA-N	-1	3	174.203	1.814	10	30		ADEEHM
CCC(C#N)=C([O-])c1ccccn1	259153510	573660048	/nfs/dbraw/zinc/66/00/48/573660048.db2.gz	ODRLTKIRKFOQSD-MRVPVSSYSA-N	-1	3	174.203	1.814	10	30		ADEEHM
CC#CCCNCc1ncccc1[O-]	308661121	573666270	/nfs/dbraw/zinc/66/62/70/573666270.db2.gz	PYXNSVPAKONNCM-UHFFFAOYSA-N	-1	3	190.246	1.290	10	30		ADEEHM
C#Cc1cc(C)cc(C#C)c1[O-]	238475825	573671494	/nfs/dbraw/zinc/67/14/94/573671494.db2.gz	YTOJYWMMZLFDNF-UHFFFAOYSA-N	-1	3	156.184	1.663	10	30		ADEEHM
COc1ccc(CC#N)c(F)c1[O-]	258076650	573672517	/nfs/dbraw/zinc/67/25/17/573672517.db2.gz	VCVQXXVYSCCYTB-UHFFFAOYSA-N	-1	3	181.166	1.606	10	30		ADEEHM
C[C@H]1CCCc2c[n-]c(=O)c(C#N)c21	238467798	573674707	/nfs/dbraw/zinc/67/47/07/573674707.db2.gz	SKCAYPTWAOAPOW-ZETCQYMHSA-N	-1	3	188.230	1.686	10	30		ADEEHM
O=C(CCSc1ccccc1)N[O-]	308414986	573677350	/nfs/dbraw/zinc/67/73/50/573677350.db2.gz	QFSKRHSIZWTXRC-UHFFFAOYSA-N	-1	3	197.259	1.674	10	30		ADEEHM
Cc1cc(CCO)cc(C#N)c1[O-]	258080320	573680724	/nfs/dbraw/zinc/68/07/24/573680724.db2.gz	VLDXQOOKAXSVBX-UHFFFAOYSA-N	-1	3	177.203	1.107	10	30		ADEEHM
N#CC=C([O-])c1ccc2ncoc2c1	259170584	573691435	/nfs/dbraw/zinc/69/14/35/573691435.db2.gz	MKOBAEMESDZMOO-UHFFFAOYSA-N	-1	3	186.170	1.924	10	30		ADEEHM
COCc1ccc(CC#N)cc1[O-]	258094020	573692769	/nfs/dbraw/zinc/69/27/69/573692769.db2.gz	XCRHVRNPKAGPJE-UHFFFAOYSA-N	-1	3	177.203	1.605	10	30		ADEEHM
COc1cc([O-])c(F)c(CC#N)c1	258099856	573700590	/nfs/dbraw/zinc/70/05/90/573700590.db2.gz	XSTZBTBVIWVUNC-UHFFFAOYSA-N	-1	3	181.166	1.606	10	30		ADEEHM
Cc1cc2c(c(C#N)c1[O-])CCO2	258099811	573701657	/nfs/dbraw/zinc/70/16/57/573701657.db2.gz	XQJMJZPJWGOPLS-UHFFFAOYSA-N	-1	3	175.187	1.507	10	30		ADEEHM
CONCc1cc(C)c([O-])c(C#N)c1	258098493	573715899	/nfs/dbraw/zinc/71/58/99/573715899.db2.gz	OPCPIGWJXRBTNJ-UHFFFAOYSA-N	-1	3	192.218	1.223	10	30		ADEEHM
C[C@](N)(CC#N)c1cccc(F)c1[O-]	238493871	573717887	/nfs/dbraw/zinc/71/78/87/573717887.db2.gz	KMAXXOFEGLIZIM-JTQLQIEISA-N	-1	3	194.209	1.619	10	30		ADEEHM
CC(C)([NH3+])c1cc(C#N)c([O-])cc1[O-]	258098488	573718461	/nfs/dbraw/zinc/71/84/61/573718461.db2.gz	OOZWVXDBOWXRIE-UHFFFAOYSA-N	-1	3	192.218	1.163	10	30		ADEEHM
COc1c(C#N)ccc(F)c1[O-]	258103811	573719861	/nfs/dbraw/zinc/71/98/61/573719861.db2.gz	YDJPKNMVVIZEAM-UHFFFAOYSA-N	-1	3	167.139	1.412	10	30		ADEEHM
C#CCOc1ccc(C=O)c([O-])c1C	223289058	573720463	/nfs/dbraw/zinc/72/04/63/573720463.db2.gz	GJTPPWWWRAZCIA-UHFFFAOYSA-N	-1	3	190.198	1.525	10	30		ADEEHM
COc1ccc([O-])c(C#N)c1OC	258105777	573723104	/nfs/dbraw/zinc/72/31/04/573723104.db2.gz	YHPKZOLNWPJKCS-UHFFFAOYSA-N	-1	3	179.175	1.281	10	30		ADEEHM
C=C(C(C)=O)c1ccccc1[O-]	238042311	573723304	/nfs/dbraw/zinc/72/33/04/573723304.db2.gz	SSHAKSZQYQLUFH-UHFFFAOYSA-N	-1	3	162.188	1.994	10	30		ADEEHM
COCc1cccc(/C=N/[O-])c1	83968818	573724383	/nfs/dbraw/zinc/72/43/83/573724383.db2.gz	VAACYQFUEPNFAI-UXBLZVDNSA-N	-1	3	165.192	1.641	10	30		ADEEHM
C#CCC(=O)Nc1ccc([O-])c(F)c1	236585944	573724807	/nfs/dbraw/zinc/72/48/07/573724807.db2.gz	QAXZKGVRLACUTC-UHFFFAOYSA-N	-1	3	193.177	1.493	10	30		ADEEHM
C[C@H](C#CC1CCCC1)N([O-])C(N)=O	143008046	573725710	/nfs/dbraw/zinc/72/57/10/573725710.db2.gz	FZRIJZBPBXBZHD-MRVPVSSYSA-N	-1	3	196.250	1.338	10	30		ADEEHM
C#CCC(=O)Nc1ccc([O-])cc1F	236585866	573725927	/nfs/dbraw/zinc/72/59/27/573725927.db2.gz	GLSIZXQQHJEDJJ-UHFFFAOYSA-N	-1	3	193.177	1.493	10	30		ADEEHM
COCc1ccccc1/C=N/[O-]	83969296	573726192	/nfs/dbraw/zinc/72/61/92/573726192.db2.gz	QHIISNLAFXPSEI-UXBLZVDNSA-N	-1	3	165.192	1.641	10	30		ADEEHM
[O-]c1ccc(CS)cc1F	258106890	573726311	/nfs/dbraw/zinc/72/63/11/573726311.db2.gz	KZZSYLWCTMGIEY-UHFFFAOYSA-N	-1	3	158.197	1.961	10	30		ADEEHM
C[C@@]1(CCC#N)CCC(=O)C=C1[O-]	238487673	573729751	/nfs/dbraw/zinc/72/97/51/573729751.db2.gz	UDXJSTISGWSYJT-SNVBAGLBSA-N	-1	3	179.219	1.619	10	30		ADEEHM
C[C@@]1(CCC#N)CCC([O-])=CC1=O	238487673	573729759	/nfs/dbraw/zinc/72/97/59/573729759.db2.gz	UDXJSTISGWSYJT-SNVBAGLBSA-N	-1	3	179.219	1.619	10	30		ADEEHM
N#Cc1[n-]c(=S)ccc1[N+](=O)[O-]	144845937	573734206	/nfs/dbraw/zinc/73/42/06/573734206.db2.gz	FHHKMGLAIOHCQY-UHFFFAOYSA-N	-1	3	181.176	1.524	10	30		ADEEHM
C=CCN(CC)Cc1n[n-]c(=O)s1	393558021	573733395	/nfs/dbraw/zinc/73/33/95/573733395.db2.gz	TVWDWORLWDVOKR-UHFFFAOYSA-N	-1	3	199.279	1.252	10	30		ADEEHM
C=CCNC(=O)N([O-])c1ccccc1	238707209	573734282	/nfs/dbraw/zinc/73/42/82/573734282.db2.gz	WIKDTRMPRFYAEE-UHFFFAOYSA-N	-1	3	192.218	1.778	10	30		ADEEHM
O=CCCc1cc([O-])c(F)cc1F	258113384	573736966	/nfs/dbraw/zinc/73/69/66/573736966.db2.gz	PVHUESBDFWWOCX-UHFFFAOYSA-N	-1	3	186.157	1.802	10	30		ADEEHM
N#Cc1cc([O-])cc2c1OCCO2	258114984	573742184	/nfs/dbraw/zinc/74/21/84/573742184.db2.gz	ZLVZHJFKFCFVJX-UHFFFAOYSA-N	-1	3	177.159	1.035	10	30		ADEEHM
Cc1ccc(C([O-])=CC=O)o1	108300081	573745180	/nfs/dbraw/zinc/74/51/80/573745180.db2.gz	FZRDIIHLJIYLJF-SNAWJCMRSA-N	-1	3	152.149	1.842	10	30		ADEEHM
C=CCCc1oc(=O)ccc1[O-]	238063600	573748609	/nfs/dbraw/zinc/74/86/09/573748609.db2.gz	KJKKWRBNZKCGMC-MRVPVSSYSA-N	-1	3	166.176	1.003	10	30		ADEEHM
Cc1cc(C[C@@H](C)O)cc(C#N)c1[O-]	258123842	573762813	/nfs/dbraw/zinc/76/28/13/573762813.db2.gz	QUPLVGJEWHYEHL-MRVPVSSYSA-N	-1	3	191.230	1.496	10	30		ADEEHM
CN=C1Nc2ccccc2/C1=N/[O-]	238087939	573762915	/nfs/dbraw/zinc/76/29/15/573762915.db2.gz	MJAHWWARXNOONG-UHFFFAOYSA-N	-1	3	175.191	1.319	10	30		ADEEHM
Cc1cc(C[C@H](C)O)cc(C#N)c1[O-]	258123846	573762992	/nfs/dbraw/zinc/76/29/92/573762992.db2.gz	QUPLVGJEWHYEHL-QMMMGPOBSA-N	-1	3	191.230	1.496	10	30		ADEEHM
Cc1ccc2[n-]c(=O)c(C#N)c-2cc1	238507475	573763485	/nfs/dbraw/zinc/76/34/85/573763485.db2.gz	CFOSDUPSYUVYLW-UHFFFAOYSA-N	-1	3	184.198	1.660	10	30		ADEEHM
COc1cc([C@@H](C)O)cc(C#N)c1[O-]	258123736	573764539	/nfs/dbraw/zinc/76/45/39/573764539.db2.gz	QTFYRRUKTYDCEK-ZCFIWIBFSA-N	-1	3	193.202	1.326	10	30		ADEEHM
COc1ccc(F)c(CCC=O)c1[O-]	258123985	573765758	/nfs/dbraw/zinc/76/57/58/573765758.db2.gz	QXBLXIFMZIEZCU-UHFFFAOYSA-N	-1	3	198.193	1.671	10	30		ADEEHM
COc1cc([C@H](C)O)cc(C#N)c1[O-]	258123734	573765820	/nfs/dbraw/zinc/76/58/20/573765820.db2.gz	QTFYRRUKTYDCEK-LURJTMIESA-N	-1	3	193.202	1.326	10	30		ADEEHM
CC1(C)C(=O)C(O)=C([O-])C1(C)C	100054534	573765980	/nfs/dbraw/zinc/76/59/80/573765980.db2.gz	XBDZRROTFKRVES-UHFFFAOYSA-N	-1	3	170.208	1.949	10	30		ADEEHM
CC(C)(C)OC(=O)N([O-])CCC=O	257871269	573766159	/nfs/dbraw/zinc/76/61/59/573766159.db2.gz	SYUSTILWUQYERK-UHFFFAOYSA-N	-1	3	189.211	1.202	10	30		ADEEHM
CC(C)(C#N)c1c(F)ccc(N)c1[O-]	238093182	573766962	/nfs/dbraw/zinc/76/69/62/573766962.db2.gz	PMPBBAJUAIDGDA-UHFFFAOYSA-N	-1	3	194.209	1.915	10	30		ADEEHM
CC(C)(C#N)c1cc(N)cc(F)c1[O-]	238097343	573769140	/nfs/dbraw/zinc/76/91/40/573769140.db2.gz	MSQLVSXASHEMAA-UHFFFAOYSA-N	-1	3	194.209	1.915	10	30		ADEEHM
O=C(Cl)c1ccccc1[O-]	100139103	573771701	/nfs/dbraw/zinc/77/17/01/573771701.db2.gz	LHRLCSWCIMXEGF-ALCCZGGFSA-N	-1	3	156.568	1.690	10	30		ADEEHM
CC(=O)Nc1csc(/C(C)=N/[O-])c1	238100310	573776143	/nfs/dbraw/zinc/77/61/43/573776143.db2.gz	BIJWTAQCHKQFOM-BJMVGYQFSA-N	-1	3	198.247	1.905	10	30		ADEEHM
C=C(C)Cc1ccc([O-])c(C(N)=O)c1	238107396	573777773	/nfs/dbraw/zinc/77/77/73/573777773.db2.gz	IBNGKWHIFUCHJQ-UHFFFAOYSA-N	-1	3	191.230	1.610	10	30		ADEEHM
Cc1cc([C@H](C)CO)cc(C#N)c1[O-]	258118614	573778042	/nfs/dbraw/zinc/77/80/42/573778042.db2.gz	QICKVGUOATWKGN-MRVPVSSYSA-N	-1	3	191.230	1.668	10	30		ADEEHM
C=C(C)Cc1ccc(C(N)=O)c([O-])c1	238107103	573779548	/nfs/dbraw/zinc/77/95/48/573779548.db2.gz	HPDWTMQCBSQTPK-UHFFFAOYSA-N	-1	3	191.230	1.610	10	30		ADEEHM
CC(C)N=Cc1cc(=O)[n-]c(=S)[nH]1	238109014	573779930	/nfs/dbraw/zinc/77/99/30/573779930.db2.gz	NQZXGPMBMZLEKI-RUDMXATFSA-N	-1	3	197.263	1.672	10	30		ADEEHM
Cc1nc(C)c(/C=N/[O-])s1	84149060	573780834	/nfs/dbraw/zinc/78/08/34/573780834.db2.gz	WFWNKBPIZAODGM-XVNBXDOJSA-N	-1	3	156.210	1.568	10	30		ADEEHM
C/C=N/c1cc(O)ccc1[O-]	100242506	573784684	/nfs/dbraw/zinc/78/46/84/573784684.db2.gz	IHYWETJETULFPN-XNWCZRBMSA-N	-1	3	151.165	1.820	10	30		ADEEHM
Cc1ccccc2[n-]c(=O)c(C#N)c1-2	238503349	573785119	/nfs/dbraw/zinc/78/51/19/573785119.db2.gz	PZCWLEVASBFDGV-UHFFFAOYSA-N	-1	3	184.198	1.660	10	30		ADEEHM
C#CCO[N-]C(=O)C(C)(C)C(C)(C)C	308737949	573785939	/nfs/dbraw/zinc/78/59/39/573785939.db2.gz	MQBFIRVCYDHXME-UHFFFAOYSA-N	-1	3	197.278	1.740	10	30		ADEEHM
Cc1ccccc2c(C#N)c(=O)[n-]c1-2	238503366	573786185	/nfs/dbraw/zinc/78/61/85/573786185.db2.gz	KZYZURMKLNRANA-UHFFFAOYSA-N	-1	3	184.198	1.660	10	30		ADEEHM
Cn1ccc2cc([O-])cc(C#N)c21	259571848	573796828	/nfs/dbraw/zinc/79/68/28/573796828.db2.gz	JIJSPLUMPWURKT-UHFFFAOYSA-N	-1	3	172.187	1.756	10	30		ADEEHM
C#C[C@H](CC)NC/C=C(\CC)C(=O)[O-]	308440357	573797168	/nfs/dbraw/zinc/79/71/68/573797168.db2.gz	DWJSFDKIDAJSQJ-TTZKWOQHSA-N	-1	3	195.262	1.409	10	30		ADEEHM
CC(=O)c1c[n-]c2c1C(=O)C=CC2=O	238125936	573798359	/nfs/dbraw/zinc/79/83/59/573798359.db2.gz	WFGSLVJHJOKMLY-UHFFFAOYSA-N	-1	3	189.170	1.153	10	30		ADEEHM
N#CCc1c(F)c([O-])cc2c1OCO2	258133765	573805591	/nfs/dbraw/zinc/80/55/91/573805591.db2.gz	RTVAHUUGZBBMCQ-UHFFFAOYSA-N	-1	3	195.149	1.326	10	30		ADEEHM
C#Cc1cncc([O-])c1C	209747504	573808823	/nfs/dbraw/zinc/80/88/23/573808823.db2.gz	UTMKCUNKHOVJRF-UHFFFAOYSA-N	-1	3	133.150	1.077	10	30		ADEEHM
CC(=O)c1c(C#N)ccc(C)c1[O-]	238123705	573811454	/nfs/dbraw/zinc/81/14/54/573811454.db2.gz	STOGTOAFDZASIB-UHFFFAOYSA-N	-1	3	175.187	1.775	10	30		ADEEHM
Cc1cc2c(o1)CCC(C#N)=C2[O-]	223544737	573813049	/nfs/dbraw/zinc/81/30/49/573813049.db2.gz	QXXOGGBAMYZWKQ-SSDOTTSWSA-N	-1	3	175.187	1.857	10	30		ADEEHM
N#Cc1[n-]ccc(=O)c1OC(F)F	306923358	573818064	/nfs/dbraw/zinc/81/80/64/573818064.db2.gz	ZRYSJCYVNBJQML-UHFFFAOYSA-N	-1	3	186.117	1.260	10	30		ADEEHM
C#CCN(CC(=O)[O-])[C@@H](C)C1CCC1	393591819	573818502	/nfs/dbraw/zinc/81/85/02/573818502.db2.gz	ZIIDCSGZIYOWHT-VIFPVBQESA-N	-1	3	195.262	1.195	10	30		ADEEHM
Cc1cc(F)c(C#N)cc1[O-]	238522089	573816065	/nfs/dbraw/zinc/81/60/65/573816065.db2.gz	CLHZWLFKCSKKDK-UHFFFAOYSA-N	-1	3	151.140	1.711	10	30		ADEEHM
CC(C)CC1=CC(=C[O-])C(=O)O1	238132404	573816564	/nfs/dbraw/zinc/81/65/64/573816564.db2.gz	GRIZVLACIMMJQG-SSDOTTSWSA-N	-1	3	168.192	1.288	10	30		ADEEHM
C#CCN(CC(=O)[O-])[C@H](C)C1CCC1	393591785	573817639	/nfs/dbraw/zinc/81/76/39/573817639.db2.gz	ZIIDCSGZIYOWHT-SECBINFHSA-N	-1	3	195.262	1.195	10	30		ADEEHM
N#Cc1[n-]c(=S)ccc1F	306930184	573818410	/nfs/dbraw/zinc/81/84/10/573818410.db2.gz	BTMRXEARMXUZIS-UHFFFAOYSA-N	-1	3	154.169	1.381	10	30		ADEEHM
COc1cc(CCC=O)c(F)cc1[O-]	258148071	573820378	/nfs/dbraw/zinc/82/03/78/573820378.db2.gz	TXYLEOZZCUAMCX-UHFFFAOYSA-N	-1	3	198.193	1.671	10	30		ADEEHM
C#CCN(C(C)=O)c1ccccc1[O-]	238141361	573834421	/nfs/dbraw/zinc/83/44/21/573834421.db2.gz	ORYOVIBABBXNEZ-UHFFFAOYSA-N	-1	3	189.214	1.378	10	30		ADEEHM
Cc1cc(CCC=O)c(F)c([O-])c1O	258152904	573836100	/nfs/dbraw/zinc/83/61/00/573836100.db2.gz	UFKGXYRBEJIOAB-UHFFFAOYSA-N	-1	3	198.193	1.677	10	30		ADEEHM
N#CCc1ccc(Cl)c([O-])c1O	258152990	573836399	/nfs/dbraw/zinc/83/63/99/573836399.db2.gz	UHJGUNBWJNOZOT-UHFFFAOYSA-N	-1	3	183.594	1.817	10	30		ADEEHM
Cc1c(C(F)F)[n-]cc(C#N)c1=O	238532547	573836662	/nfs/dbraw/zinc/83/66/62/573836662.db2.gz	XOISWYYHBABSKK-UHFFFAOYSA-N	-1	3	184.145	1.905	10	30		ADEEHM
CC(=O)N(CC#N)c1ccccc1[O-]	238141444	573836868	/nfs/dbraw/zinc/83/68/68/573836868.db2.gz	ZYISMCIWNRYLJZ-UHFFFAOYSA-N	-1	3	190.202	1.269	10	30		ADEEHM
N#Cc1cc(-c2cccc([O-])c2)on1	259623049	573840605	/nfs/dbraw/zinc/84/06/05/573840605.db2.gz	GZPDLAWAJRHKJI-UHFFFAOYSA-N	-1	3	186.170	1.919	10	30		ADEEHM
[O-]c1ccc(CS)c(F)c1	258150269	573842659	/nfs/dbraw/zinc/84/26/59/573842659.db2.gz	PJLUUJFGOGTVDX-UHFFFAOYSA-N	-1	3	158.197	1.961	10	30		ADEEHM
CC(C)[C@H]1CCC(=C[O-])C(=O)O1	238159685	573845583	/nfs/dbraw/zinc/84/55/83/573845583.db2.gz	STOUWKZXMSKXEZ-HTQZYQBOSA-N	-1	3	170.208	1.163	10	30		ADEEHM
N#Cc1nc(C2CCCC2)[n-]c1C#N	72284426	573844880	/nfs/dbraw/zinc/84/48/80/573844880.db2.gz	YSQKLIWHQYQRCK-UHFFFAOYSA-N	-1	3	186.218	1.811	10	30		ADEEHM
[N-]=[N+]=Nc1n[n-]c2nccnc12	238537035	573845036	/nfs/dbraw/zinc/84/50/36/573845036.db2.gz	QWUXAKNZPBLPMY-UHFFFAOYSA-N	-1	3	161.128	1.295	10	30		ADEEHM
Cc1cccc([O-])c1[C@H](N)CC#N	238536794	573845145	/nfs/dbraw/zinc/84/51/45/573845145.db2.gz	XXRVHSSJCWWVGZ-MRVPVSSYSA-N	-1	3	176.219	1.614	10	30		ADEEHM
Cc1cccc([O-])c1[C@@H](N)CC#N	238535958	573845252	/nfs/dbraw/zinc/84/52/52/573845252.db2.gz	XXRVHSSJCWWVGZ-QMMMGPOBSA-N	-1	3	176.219	1.614	10	30		ADEEHM
C/C(=N\[O-])C1C(=O)CC(C)(C)CC1=O	101174713	573848187	/nfs/dbraw/zinc/84/81/87/573848187.db2.gz	LZBHENPXZBPSFE-IZZDOVSWSA-N	-1	3	197.234	1.411	10	30		ADEEHM
Cc1c(O)ccc([O-])c1C#N	238539391	573849990	/nfs/dbraw/zinc/84/99/90/573849990.db2.gz	RLOVDIQSUFWRQW-UHFFFAOYSA-N	-1	3	149.149	1.278	10	30		ADEEHM
Cc1cc([O-])c(F)c(CCC=O)c1	258163128	573850474	/nfs/dbraw/zinc/85/04/74/573850474.db2.gz	VGLGMMHICWQJIM-UHFFFAOYSA-N	-1	3	182.194	1.971	10	30		ADEEHM
O=C1C=C([O-])[C@@H](CCCO)CC1	224725298	573852656	/nfs/dbraw/zinc/85/26/56/573852656.db2.gz	LMUJQBNVYFLMTF-ZETCQYMHSA-N	-1	3	170.208	1.180	10	30		ADEEHM
O=C1C=C([O-])CC[C@@H]1CCCO	224725298	573852661	/nfs/dbraw/zinc/85/26/61/573852661.db2.gz	LMUJQBNVYFLMTF-ZETCQYMHSA-N	-1	3	170.208	1.180	10	30		ADEEHM
Cc1ccnc(Nc2cc([O-])co2)c1	238542818	573855421	/nfs/dbraw/zinc/85/54/21/573855421.db2.gz	DFBDFUDEAPDSSC-UHFFFAOYSA-N	-1	3	190.202	1.243	10	30		ADEEHM
O=C1C=C([O-])[C@H](CCCO)CC1	224725251	573855463	/nfs/dbraw/zinc/85/54/63/573855463.db2.gz	LMUJQBNVYFLMTF-SSDOTTSWSA-N	-1	3	170.208	1.180	10	30		ADEEHM
O=C1C=C([O-])CC[C@H]1CCCO	224725251	573855467	/nfs/dbraw/zinc/85/54/67/573855467.db2.gz	LMUJQBNVYFLMTF-SSDOTTSWSA-N	-1	3	170.208	1.180	10	30		ADEEHM
CC(=O)Oc1cccc(C#N)c1[O-]	205349860	573856088	/nfs/dbraw/zinc/85/60/88/573856088.db2.gz	KSOIBWQUFJXVOO-UHFFFAOYSA-N	-1	3	177.159	1.189	10	30		ADEEHM
C=C[C@H](N)c1cccc(C)c1C(=O)[O-]	238542020	573856124	/nfs/dbraw/zinc/85/61/24/573856124.db2.gz	PZDNKHIOKGXFQE-VIFPVBQESA-N	-1	3	191.230	1.879	10	30		ADEEHM
N#Cc1nc([N-]c2ccccc2)no1	259575786	573873251	/nfs/dbraw/zinc/87/32/51/573873251.db2.gz	BADKHEGXZJXXSV-UHFFFAOYSA-N	-1	3	186.174	1.685	10	30		ADEEHM
N#Cc1[n-]c(=S)n2c1CCCC2	259218312	573880353	/nfs/dbraw/zinc/88/03/53/573880353.db2.gz	BUJISNTZGIAKNL-UHFFFAOYSA-N	-1	3	179.248	1.380	10	30		ADEEHM
CC(=O)O[C@@H](C#N)c1ccccc1[O-]	238177629	573881731	/nfs/dbraw/zinc/88/17/31/573881731.db2.gz	YOFCUYSOZCDRRG-JTQLQIEISA-N	-1	3	191.186	1.520	10	30		ADEEHM
NC1(C#CC2(C(=O)[O-])CCCC2)CC1	238553236	573881770	/nfs/dbraw/zinc/88/17/70/573881770.db2.gz	ACBVBDRDECCTOF-UHFFFAOYSA-N	-1	3	193.246	1.126	10	30		ADEEHM
CCC1(C(=O)N[O-])CCCC1	87316754	573881824	/nfs/dbraw/zinc/88/18/24/573881824.db2.gz	MKUHBFAVPZBZEU-UHFFFAOYSA-N	-1	3	157.213	1.462	10	30		ADEEHM
N#Cc1sccc1[C@H](N)CC(=O)[O-]	306349487	573882400	/nfs/dbraw/zinc/88/24/00/573882400.db2.gz	VAOUZXONGORDTE-ZCFIWIBFSA-N	-1	3	196.231	1.094	10	30		ADEEHM
N/C(=N\[O-])c1cc2cc(F)ccc2o1	144905585	573885144	/nfs/dbraw/zinc/88/51/44/573885144.db2.gz	XOFMIIQABVJFCJ-UHFFFAOYSA-N	-1	3	194.165	1.666	10	30		ADEEHM
C=C[C@@H](N)c1c(N)cccc1C(=O)[O-]	238562861	573893955	/nfs/dbraw/zinc/89/39/55/573893955.db2.gz	QERVYRSOWXYJDF-SSDOTTSWSA-N	-1	3	192.218	1.153	10	30		ADEEHM
C=C[C@@H]([NH3+])c1c([O-])ccc(F)c1[O-]	238563158	573894550	/nfs/dbraw/zinc/89/45/50/573894550.db2.gz	RYOJVXFLWPOTMT-ZCFIWIBFSA-N	-1	3	183.182	1.423	10	30		ADEEHM
COC(=O)C=C([O-])c1ccccc1	102428639	573894630	/nfs/dbraw/zinc/89/46/30/573894630.db2.gz	SPFXLLNQNFPWGO-JXMROGBWSA-N	-1	3	178.187	1.915	10	30		ADEEHM
COC([O-])=CC(=O)c1ccccc1	102428639	573894638	/nfs/dbraw/zinc/89/46/38/573894638.db2.gz	SPFXLLNQNFPWGO-JXMROGBWSA-N	-1	3	178.187	1.915	10	30		ADEEHM
CC(C)[C@H](N)c1cc([O-])ccc1C#N	238174212	573897344	/nfs/dbraw/zinc/89/73/44/573897344.db2.gz	SQJDQEZRJHGWAQ-NSHDSACASA-N	-1	3	190.246	1.920	10	30		ADEEHM
C=C[C@@H](C)NCc1[nH]ccc1C(=O)[O-]	308461270	573899788	/nfs/dbraw/zinc/89/97/88/573899788.db2.gz	GINSVUJTQJYBLJ-SSDOTTSWSA-N	-1	3	194.234	1.377	10	30		ADEEHM
C#CCN[C@@](C)(CCC(C)C)C(=O)[O-]	41730491	573911747	/nfs/dbraw/zinc/91/17/47/573911747.db2.gz	MAXKOTHAZOTNHW-NSHDSACASA-N	-1	3	197.278	1.489	10	30		ADEEHM
C#CCN[C@](C)(CCC(C)C)C(=O)[O-]	41730495	573911837	/nfs/dbraw/zinc/91/18/37/573911837.db2.gz	MAXKOTHAZOTNHW-LLVKDONJSA-N	-1	3	197.278	1.489	10	30		ADEEHM
C#CCN[C@](C)(CC(C)C)C(=O)[O-]	41730872	573911969	/nfs/dbraw/zinc/91/19/69/573911969.db2.gz	MWZDOBKBECPFRP-SNVBAGLBSA-N	-1	3	183.251	1.099	10	30		ADEEHM
C#CCNC(CCC)(CCC)C(=O)[O-]	41731187	573912253	/nfs/dbraw/zinc/91/22/53/573912253.db2.gz	MILMGVXCHFYZSK-UHFFFAOYSA-N	-1	3	197.278	1.633	10	30		ADEEHM
C#CCN(CC(=O)[O-])[C@H](CC)CCC	233283814	573921530	/nfs/dbraw/zinc/92/15/30/573921530.db2.gz	OZTADKXUPOBNKY-SNVBAGLBSA-N	-1	3	197.278	1.585	10	30		ADEEHM
N#CCc1c(F)c([O-])cc(O)c1F	258181924	573921585	/nfs/dbraw/zinc/92/15/85/573921585.db2.gz	WRCKIMVULSSMOP-UHFFFAOYSA-N	-1	3	185.129	1.442	10	30		ADEEHM
C=CC[C@H](Nc1ccncc1)C(=O)[O-]	127589890	573928872	/nfs/dbraw/zinc/92/88/72/573928872.db2.gz	BLJZHWALCQIXCP-VIFPVBQESA-N	-1	3	192.218	1.523	10	30		ADEEHM
N#Cc1ccc(F)[n-]c1=S	306816797	573929191	/nfs/dbraw/zinc/92/91/91/573929191.db2.gz	BXSIEVHKYSTRAB-UHFFFAOYSA-N	-1	3	154.169	1.381	10	30		ADEEHM
Cc1nn(C)cc1/C(Cl)=N/[O-]	235812906	573931200	/nfs/dbraw/zinc/93/12/00/573931200.db2.gz	YVAQJKMUCUAZOY-TWGQIWQCSA-N	-1	3	173.603	1.103	10	30		ADEEHM
N#Cc1[n-]ccc(=O)c1Br	306819733	573931306	/nfs/dbraw/zinc/93/13/06/573931306.db2.gz	HRPRTPHIEDWTNB-UHFFFAOYSA-N	-1	3	199.007	1.421	10	30		ADEEHM
COc1cc(C#N)cc([C@@H](C)O)c1[O-]	258184289	573939230	/nfs/dbraw/zinc/93/92/30/573939230.db2.gz	WUVSFUJBJNTMQC-ZCFIWIBFSA-N	-1	3	193.202	1.326	10	30		ADEEHM
C=CCO[C@H]([O-])C(F)(F)F	118669220	573941845	/nfs/dbraw/zinc/94/18/45/573941845.db2.gz	RTZDHGLRSLLAGM-BYPYZUCNSA-N	-1	3	156.103	1.070	10	30		ADEEHM
O=CCCc1ccc(O)c(F)c1[O-]	258186826	573950066	/nfs/dbraw/zinc/95/00/66/573950066.db2.gz	WZHTWLNWRDXYDR-UHFFFAOYSA-N	-1	3	184.166	1.368	10	30		ADEEHM
COc1cc(CC#N)cc(C#N)c1[O-]	258189690	573956232	/nfs/dbraw/zinc/95/62/32/573956232.db2.gz	XJDVGBHHQHSHLA-UHFFFAOYSA-N	-1	3	188.186	1.339	10	30		ADEEHM
CC(C)/C(=N\[O-])[C@@H](O)C(C)C	238208782	573956395	/nfs/dbraw/zinc/95/63/95/573956395.db2.gz	AJTDOADPKGNNED-INTFFVIUSA-N	-1	3	159.229	1.490	10	30		ADEEHM
CC1(C)C(=O)C=C([O-])C(C)(C)[C@@H]1O	238209098	573956879	/nfs/dbraw/zinc/95/68/79/573956879.db2.gz	ZIUWIVAXAYHHCW-MRVPVSSYSA-N	-1	3	184.235	1.424	10	30		ADEEHM
CC1(C)C(=O)C=C([O-])C(C)(C)[C@H]1O	238209098	573956885	/nfs/dbraw/zinc/95/68/85/573956885.db2.gz	ZIUWIVAXAYHHCW-MRVPVSSYSA-N	-1	3	184.235	1.424	10	30		ADEEHM
CC(C)N(CCC#N)CCCC(=O)[O-]	42529482	573964389	/nfs/dbraw/zinc/96/43/89/573964389.db2.gz	HITDBDYSTPWTRH-UHFFFAOYSA-N	-1	3	198.266	1.475	10	30		ADEEHM
CC(C)N(CCC#N)[C@H](C)CC(=O)[O-]	42529494	573964430	/nfs/dbraw/zinc/96/44/30/573964430.db2.gz	HKALEJVKANXMCH-SECBINFHSA-N	-1	3	198.266	1.474	10	30		ADEEHM
CC(C)N(CCC#N)[C@@H](C)CC(=O)[O-]	42529493	573964908	/nfs/dbraw/zinc/96/49/08/573964908.db2.gz	HKALEJVKANXMCH-VIFPVBQESA-N	-1	3	198.266	1.474	10	30		ADEEHM
CC(C)N(CCC#N)[C@@H](C)C(=O)[O-]	42529417	573965095	/nfs/dbraw/zinc/96/50/95/573965095.db2.gz	WHEONFQZPINZIV-QMMMGPOBSA-N	-1	3	184.239	1.084	10	30		ADEEHM
C[C@@H](CC=O)c1c(F)ccc(O)c1[O-]	258194464	573975461	/nfs/dbraw/zinc/97/54/61/573975461.db2.gz	XUPNLRMKNNKQSO-LURJTMIESA-N	-1	3	198.193	1.929	10	30		ADEEHM
CC[C@@H](C(=O)[O-])N(CCC#N)C1CC1	42547340	573979200	/nfs/dbraw/zinc/97/92/00/573979200.db2.gz	FWTWCLHWAXDVEK-VIFPVBQESA-N	-1	3	196.250	1.228	10	30		ADEEHM
C=Cc1ccc([O-])c([C@H](N)CC#N)c1	104452233	573981295	/nfs/dbraw/zinc/98/12/95/573981295.db2.gz	OLZMWKHBAUOQBL-SNVBAGLBSA-N	-1	3	188.230	1.949	10	30		ADEEHM
Cc1cc(CCC=O)c(F)cc1[O-]	258194404	573981616	/nfs/dbraw/zinc/98/16/16/573981616.db2.gz	XSXOKKJHGFEBSB-UHFFFAOYSA-N	-1	3	182.194	1.971	10	30		ADEEHM
CCn1cc(C([O-])=CC=O)cn1	110898879	573983041	/nfs/dbraw/zinc/98/30/41/573983041.db2.gz	UDXZBAGLGQIZRS-ONEGZZNKSA-N	-1	3	166.180	1.157	10	30		ADEEHM
CCn1cc(C(=O)C=C[O-])cn1	110898879	573983045	/nfs/dbraw/zinc/98/30/45/573983045.db2.gz	UDXZBAGLGQIZRS-ONEGZZNKSA-N	-1	3	166.180	1.157	10	30		ADEEHM
CCn1nc(C)c(C([O-])=CC=O)c1C	110898892	573985887	/nfs/dbraw/zinc/98/58/87/573985887.db2.gz	MEUNNPRNMZFNJQ-AATRIKPKSA-N	-1	3	194.234	1.774	10	30		ADEEHM
CCn1nc(C)c(C(=O)C=C[O-])c1C	110898892	573985890	/nfs/dbraw/zinc/98/58/90/573985890.db2.gz	MEUNNPRNMZFNJQ-AATRIKPKSA-N	-1	3	194.234	1.774	10	30		ADEEHM
Cc1cccc2c1CC(C#N)=C2[O-]	104459546	573988589	/nfs/dbraw/zinc/98/85/89/573988589.db2.gz	DNRJNMLRRDOOKQ-MRVPVSSYSA-N	-1	3	171.199	1.874	10	30		ADEEHM
N#Cc1cc2oc(C#N)cc2[n-]1	259590992	573997238	/nfs/dbraw/zinc/99/72/38/573997238.db2.gz	BZBSXCOPHBPVRE-UHFFFAOYSA-N	-1	3	157.132	1.504	10	30		ADEEHM
CC1(C)C(=O)C=C([O-])C(C)(C)[C@H]1O	238236507	573998784	/nfs/dbraw/zinc/99/87/84/573998784.db2.gz	ZIUWIVAXAYHHCW-QMMMGPOBSA-N	-1	3	184.235	1.424	10	30		ADEEHM
CC1(C)C(=O)C=C([O-])C(C)(C)[C@@H]1O	238236507	573998787	/nfs/dbraw/zinc/99/87/87/573998787.db2.gz	ZIUWIVAXAYHHCW-QMMMGPOBSA-N	-1	3	184.235	1.424	10	30		ADEEHM
CCC(=O)C(=CN)c1ccccc1[O-]	238237302	574003603	/nfs/dbraw/zinc/00/36/03/574003603.db2.gz	KFJJTBVXVAUUDC-VQHVLOKHSA-N	-1	3	191.230	1.671	10	30		ADEEHM
N#CCc1c(Cl)ccc(O)c1[O-]	258201099	574004483	/nfs/dbraw/zinc/00/44/83/574004483.db2.gz	YKHZIEJFQZUZDI-UHFFFAOYSA-N	-1	3	183.594	1.817	10	30		ADEEHM
N#CCc1nnc([C@@H]2CCCS2)[n-]1	87717262	574023465	/nfs/dbraw/zinc/02/34/65/574023465.db2.gz	KNRHPXXCMGDMTN-LURJTMIESA-N	-1	3	194.263	1.439	10	30		ADEEHM
N#CCc1nc([C@@H]2CCCS2)n[n-]1	87717262	574023468	/nfs/dbraw/zinc/02/34/68/574023468.db2.gz	KNRHPXXCMGDMTN-LURJTMIESA-N	-1	3	194.263	1.439	10	30		ADEEHM
N#CCc1n[n-]c([C@@H]2CCCS2)n1	87717262	574023470	/nfs/dbraw/zinc/02/34/70/574023470.db2.gz	KNRHPXXCMGDMTN-LURJTMIESA-N	-1	3	194.263	1.439	10	30		ADEEHM
N#CC[C@@H](N)c1cc(N)cc(F)c1[O-]	104516550	574023403	/nfs/dbraw/zinc/02/34/03/574023403.db2.gz	TWPYGCDPICYTIT-MRVPVSSYSA-N	-1	3	195.197	1.027	10	30		ADEEHM
Cc1ccc(CN)c(C#N)c1C(=O)[O-]	306969393	574037675	/nfs/dbraw/zinc/03/76/75/574037675.db2.gz	IIMSVWIMYCKGFI-UHFFFAOYSA-N	-1	3	190.202	1.024	10	30		ADEEHM
N#Cc1c([O-])c[nH]c1Cc1ccco1	259296915	574043181	/nfs/dbraw/zinc/04/31/81/574043181.db2.gz	BGMSOXXFRLTCMR-UHFFFAOYSA-N	-1	3	188.186	1.776	10	30		ADEEHM
O=C(N[O-])[C@H]1CCC[C@H](F)C1	671995674	486759224	/nfs/dbraw/zinc/75/92/24/486759224.db2.gz	IUUZSXHVSNIPAC-WDSKDSINSA-N	-1	3	161.176	1.020	10	30		ADEEHM
O=C(N[O-])[C@H]1CCC[C@@H](F)C1	671995670	486759251	/nfs/dbraw/zinc/75/92/51/486759251.db2.gz	IUUZSXHVSNIPAC-NTSWFWBYSA-N	-1	3	161.176	1.020	10	30		ADEEHM
Cc1cc(C(F)F)oc1C(=O)N[O-]	671996480	486759630	/nfs/dbraw/zinc/75/96/30/486759630.db2.gz	ILALQYABGDESNJ-UHFFFAOYSA-N	-1	3	191.133	1.645	10	30		ADEEHM
O=C(N[O-])[C@@H]1CCC[C@H](F)C1	671995673	486759735	/nfs/dbraw/zinc/75/97/35/486759735.db2.gz	IUUZSXHVSNIPAC-RITPCOANSA-N	-1	3	161.176	1.020	10	30		ADEEHM
O=C(N[O-])[C@@H]1CCC[C@@H](F)C1	671995672	486759800	/nfs/dbraw/zinc/75/98/00/486759800.db2.gz	IUUZSXHVSNIPAC-PHDIDXHHSA-N	-1	3	161.176	1.020	10	30		ADEEHM
O=C(N[O-])[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F	671996881	486760403	/nfs/dbraw/zinc/76/04/03/486760403.db2.gz	LVNKZBWYKVBHFI-NGJCXOISSA-N	-1	3	191.177	1.173	10	30		ADEEHM
O=C(N[O-])[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F	671996883	486760652	/nfs/dbraw/zinc/76/06/52/486760652.db2.gz	LVNKZBWYKVBHFI-PBXRRBTRSA-N	-1	3	191.177	1.173	10	30		ADEEHM
C=CCN(C)Cc1nc(C)ccc1[O-]	681758198	487038247	/nfs/dbraw/zinc/03/82/47/487038247.db2.gz	IXEGMTWWFZUVGJ-UHFFFAOYSA-N	-1	3	192.262	1.713	10	30		ADEEHM
[O-]c1ccc(C=NOC2CCC2)nc1	812238304	582457615	/nfs/dbraw/zinc/45/76/15/582457615.db2.gz	RPFBSQOBQPOSBV-UHFFFAOYSA-N	-1	3	192.218	1.690	10	30		ADEEHM
[O-]c1cc(F)cc(CS)c1	757162480	582468066	/nfs/dbraw/zinc/46/80/66/582468066.db2.gz	FAUOSELEKLSGFL-UHFFFAOYSA-N	-1	3	158.197	1.961	10	30		ADEEHM
C=C[C@@H](C)O[N-]C(=O)C#CC1CC1	846553628	582476928	/nfs/dbraw/zinc/47/69/28/582476928.db2.gz	CVDFYSCBWZFCQX-MRVPVSSYSA-N	-1	3	179.219	1.022	10	30		ADEEHM
C=C[C@H](C)O[N-]C(=O)C#CC1CC1	846553629	582477021	/nfs/dbraw/zinc/47/70/21/582477021.db2.gz	CVDFYSCBWZFCQX-QMMMGPOBSA-N	-1	3	179.219	1.022	10	30		ADEEHM
O=C(N[O-])[C@@H]1C[C@@H]2CCCC[C@@H]21	892159090	582481070	/nfs/dbraw/zinc/48/10/70/582481070.db2.gz	GXEFZRXKUZQGFN-BIIVOSGPSA-N	-1	3	169.224	1.318	10	30		ADEEHM
C#CCO[N-]C(=O)[C@@H]1CCC1(C)C	855606126	582502903	/nfs/dbraw/zinc/50/29/03/582502903.db2.gz	HWDZTDVXFZZLJK-QMMMGPOBSA-N	-1	3	181.235	1.104	10	30		ADEEHM
C#CCO[N-]C(=O)[C@H]1CCC1(C)C	855606125	582502948	/nfs/dbraw/zinc/50/29/48/582502948.db2.gz	HWDZTDVXFZZLJK-MRVPVSSYSA-N	-1	3	181.235	1.104	10	30		ADEEHM
C[C@H](NCCC#N)c1ccccc1[O-]	20199562	582525043	/nfs/dbraw/zinc/52/50/43/582525043.db2.gz	DJPJFHZJTZBVJJ-VIFPVBQESA-N	-1	3	190.246	1.956	10	30		ADEEHM
C=CCO[N-]C(=O)C1(C2CC2)CC1	897923415	582549807	/nfs/dbraw/zinc/54/98/07/582549807.db2.gz	BRSIYTJZWHFDRA-UHFFFAOYSA-N	-1	3	181.235	1.410	10	30		ADEEHM
C=C[C@@H](C)O[N-]C(=O)C1(C2CC2)CC1	898280944	582550996	/nfs/dbraw/zinc/55/09/96/582550996.db2.gz	LGJWFTVTVQZJLV-MRVPVSSYSA-N	-1	3	195.262	1.799	10	30		ADEEHM
C=C[C@H](C)O[N-]C(=O)C1(C2CC2)CC1	898280945	582551150	/nfs/dbraw/zinc/55/11/50/582551150.db2.gz	LGJWFTVTVQZJLV-QMMMGPOBSA-N	-1	3	195.262	1.799	10	30		ADEEHM
C=C(C)CO[N-]C(=O)C1(C2CC2)CC1	898280824	582551469	/nfs/dbraw/zinc/55/14/69/582551469.db2.gz	KMDKDBAVWJDFAA-UHFFFAOYSA-N	-1	3	195.262	1.801	10	30		ADEEHM
CCCCN([O-])C(=O)[C@@H]1C[C@H]1OC	900682156	582576294	/nfs/dbraw/zinc/57/62/94/582576294.db2.gz	KCEPOPMWLJEUFA-HTQZYQBOSA-N	-1	3	187.239	1.039	10	30		ADEEHM
C=CC(C)(C)C(=O)[N-]C1=NCCS1	901154158	582579767	/nfs/dbraw/zinc/57/97/67/582579767.db2.gz	KMFCHOMDSIGTBI-UHFFFAOYSA-N	-1	3	198.291	1.418	10	30		ADEEHM
O=C(N[O-])c1sccc1C(F)F	901367569	582585122	/nfs/dbraw/zinc/58/51/22/582585122.db2.gz	JFFRBCMJWZYHMH-UHFFFAOYSA-N	-1	3	193.174	1.805	10	30		ADEEHM
O=C(N[O-])c1ccc(C(F)F)o1	901367767	582585446	/nfs/dbraw/zinc/58/54/46/582585446.db2.gz	KXQVHQOOHKVQLQ-UHFFFAOYSA-N	-1	3	177.106	1.336	10	30		ADEEHM
O=C(N[O-])[C@H]1Cc2ccc(Cl)cc21	901367416	582585448	/nfs/dbraw/zinc/58/54/48/582585448.db2.gz	DOIBJQNORDHLFJ-QMMMGPOBSA-N	-1	3	197.621	1.485	10	30		ADEEHM
O=C(N[O-])[C@@H]1Cc2ccc(Cl)cc21	901367415	582585457	/nfs/dbraw/zinc/58/54/57/582585457.db2.gz	DOIBJQNORDHLFJ-MRVPVSSYSA-N	-1	3	197.621	1.485	10	30		ADEEHM
C#CCCCCCCO[N-]C(C)=O	902703767	582612634	/nfs/dbraw/zinc/61/26/34/582612634.db2.gz	ZPAXYUYRAAYBKF-UHFFFAOYSA-N	-1	3	183.251	1.638	10	30		ADEEHM
O=C(N[O-])C1(C2CC2)CCC1	904158508	582631654	/nfs/dbraw/zinc/63/16/54/582631654.db2.gz	UIOJTPDKQJRADP-UHFFFAOYSA-N	-1	3	155.197	1.072	10	30		ADEEHM
N#C[C@@]1(C(=O)N[O-])CC2CCC1CC2	904158276	582631662	/nfs/dbraw/zinc/63/16/62/582631662.db2.gz	SDFOUGUJDYACEZ-KTOWXAHTSA-N	-1	3	194.234	1.212	10	30		ADEEHM
CC[C@@H](CC(F)F)C(=O)N[O-]	904157590	582631672	/nfs/dbraw/zinc/63/16/72/582631672.db2.gz	FHWTUDHCOQWDKU-BYPYZUCNSA-N	-1	3	167.155	1.173	10	30		ADEEHM
N#C[C@]1(C(=O)N[O-])CC2CCC1CC2	904158277	582631763	/nfs/dbraw/zinc/63/17/63/582631763.db2.gz	SDFOUGUJDYACEZ-SFVIPPHHSA-N	-1	3	194.234	1.212	10	30		ADEEHM
O=C(N[O-])[C@@H]1CCOC2(CCCC2)C1	904157592	582631829	/nfs/dbraw/zinc/63/18/29/582631829.db2.gz	FJANJEUMWNCNBE-MRVPVSSYSA-N	-1	3	199.250	1.231	10	30		ADEEHM
C=CCC(C)(C)C(=O)N[O-]	904157737	582631911	/nfs/dbraw/zinc/63/19/11/582631911.db2.gz	HSFXNJMBLHVCAH-UHFFFAOYSA-N	-1	3	143.186	1.094	10	30		ADEEHM
O=C(N[O-])[C@H]1CCOC2(CCCC2)C1	904157593	582631968	/nfs/dbraw/zinc/63/19/68/582631968.db2.gz	FJANJEUMWNCNBE-QMMMGPOBSA-N	-1	3	199.250	1.231	10	30		ADEEHM
CC[C@H](CC(F)F)C(=O)N[O-]	904157591	582632072	/nfs/dbraw/zinc/63/20/72/582632072.db2.gz	FHWTUDHCOQWDKU-SCSAIBSYSA-N	-1	3	167.155	1.173	10	30		ADEEHM
CCCCN([O-])C(=O)CSC	904208293	582632953	/nfs/dbraw/zinc/63/29/53/582632953.db2.gz	TWGDJRHXCBMQHY-UHFFFAOYSA-N	-1	3	177.269	1.367	10	30		ADEEHM
CCCCCCN([O-])C(=O)COC	904205379	582632990	/nfs/dbraw/zinc/63/29/90/582632990.db2.gz	KEJJPTNADVMAQJ-UHFFFAOYSA-N	-1	3	189.255	1.431	10	30		ADEEHM
CCCCN([O-])C(=O)CCSC	904209045	582633022	/nfs/dbraw/zinc/63/30/22/582633022.db2.gz	RCKUZTHKTDRVPN-UHFFFAOYSA-N	-1	3	191.296	1.757	10	30		ADEEHM
CCCCN([O-])C(=O)C(C)(C)OC	904209991	582633078	/nfs/dbraw/zinc/63/30/78/582633078.db2.gz	CTPFORMEXIQVTR-UHFFFAOYSA-N	-1	3	189.255	1.429	10	30		ADEEHM
C#CC(=O)N([O-])CCCCCC	904206532	582633266	/nfs/dbraw/zinc/63/32/66/582633266.db2.gz	ATQFVTFYWGCOCY-UHFFFAOYSA-N	-1	3	169.224	1.418	10	30		ADEEHM
CCCCN([O-])C(=O)C1(F)CC1	904214574	582633549	/nfs/dbraw/zinc/63/35/49/582633549.db2.gz	DSOMEVQFJKHCSL-UHFFFAOYSA-N	-1	3	175.203	1.506	10	30		ADEEHM
CCCCN([O-])C(=O)c1cccnn1	904215627	582633791	/nfs/dbraw/zinc/63/37/91/582633791.db2.gz	HEFACDHZMZDNPU-UHFFFAOYSA-N	-1	3	195.222	1.108	10	30		ADEEHM
CCCCN([O-])C(=O)[C@@H]1CC12CC2	904214508	582633821	/nfs/dbraw/zinc/63/38/21/582633821.db2.gz	BIXALAHPLXPDJS-QMMMGPOBSA-N	-1	3	183.251	1.804	10	30		ADEEHM
CCCCN([O-])C(=O)C1(OC)CC1	904214731	582633831	/nfs/dbraw/zinc/63/38/31/582633831.db2.gz	KWMDSZCGVLZRML-UHFFFAOYSA-N	-1	3	187.239	1.183	10	30		ADEEHM
CCCCN([O-])C(=O)C12CC(C1)C2	904215561	582634025	/nfs/dbraw/zinc/63/40/25/582634025.db2.gz	DSTNJVBKGLMJCJ-UHFFFAOYSA-N	-1	3	183.251	1.804	10	30		ADEEHM
CCCCN([O-])C(=O)[C@H]1CC12CC2	904214507	582634032	/nfs/dbraw/zinc/63/40/32/582634032.db2.gz	BIXALAHPLXPDJS-MRVPVSSYSA-N	-1	3	183.251	1.804	10	30		ADEEHM
CCCCN([O-])C(=O)COC1CC1	904215607	582634047	/nfs/dbraw/zinc/63/40/47/582634047.db2.gz	GNHBGSGTPYPMMT-UHFFFAOYSA-N	-1	3	187.239	1.183	10	30		ADEEHM
CCCCN([O-])C(=O)C1(C)CC1	904211752	582634057	/nfs/dbraw/zinc/63/40/57/582634057.db2.gz	CXWHZUTUDDCZRR-UHFFFAOYSA-N	-1	3	171.240	1.804	10	30		ADEEHM
C#C[C@@H](C)NC(=O)c1cccc([O-])c1	125000627	582640891	/nfs/dbraw/zinc/64/08/91/582640891.db2.gz	NUUFAZGKOPFOIP-MRVPVSSYSA-N	-1	3	189.214	1.144	10	30		ADEEHM
C#CCCCCC(=O)[N-]OCC	222829304	582668123	/nfs/dbraw/zinc/66/81/23/582668123.db2.gz	CHRMFEXHEXHYAO-UHFFFAOYSA-N	-1	3	169.224	1.248	10	30		ADEEHM
CC(C)CNN=Cc1ccc([O-])cn1	771566960	582688299	/nfs/dbraw/zinc/68/82/99/582688299.db2.gz	LGANSTXMVGTCOZ-UHFFFAOYSA-N	-1	3	193.250	1.367	10	30		ADEEHM
C#CCO[N-]C(=O)CC(C)=C(C)C	824483291	582705873	/nfs/dbraw/zinc/70/58/73/582705873.db2.gz	ABMBNSVCCWZIKT-UHFFFAOYSA-N	-1	3	181.235	1.414	10	30		ADEEHM
C[C@H]1CCCC1=NN=c1cc[n-]n1C	774413474	582708239	/nfs/dbraw/zinc/70/82/39/582708239.db2.gz	AEDYZUAOFBOLHB-QMMMGPOBSA-N	-1	3	192.266	1.430	10	30		ADEEHM
C[C@@H]1CCCC1=NN=c1cc[n-]n1C	774413455	582708963	/nfs/dbraw/zinc/70/89/63/582708963.db2.gz	AEDYZUAOFBOLHB-MRVPVSSYSA-N	-1	3	192.266	1.430	10	30		ADEEHM
O=C(N[O-])[C@H]1C[C@@]1(F)c1ccccc1	839499313	582729095	/nfs/dbraw/zinc/72/90/95/582729095.db2.gz	XDVUZUIKICCJKA-PSASIEDQSA-N	-1	3	195.193	1.377	10	30		ADEEHM
O=C(N[O-])[C@@H]1C[C@]1(F)c1ccccc1	839499323	582729215	/nfs/dbraw/zinc/72/92/15/582729215.db2.gz	XDVUZUIKICCJKA-WPRPVWTQSA-N	-1	3	195.193	1.377	10	30		ADEEHM
CC(C)(C)C1CC(C(=O)N[O-])C1	839499295	582729334	/nfs/dbraw/zinc/72/93/34/582729334.db2.gz	WZDGGXINXOMCPY-UHFFFAOYSA-N	-1	3	171.240	1.564	10	30		ADEEHM
O=C(N[O-])[C@H]1C[C@]1(F)c1ccccc1	839499321	582729342	/nfs/dbraw/zinc/72/93/42/582729342.db2.gz	XDVUZUIKICCJKA-SCZZXKLOSA-N	-1	3	195.193	1.377	10	30		ADEEHM
O=C(N[O-])[C@@H]1C[C@@]1(F)c1ccccc1	839499322	582729395	/nfs/dbraw/zinc/72/93/95/582729395.db2.gz	XDVUZUIKICCJKA-WCBMZHEXSA-N	-1	3	195.193	1.377	10	30		ADEEHM
O=C(N[O-])C1(C2CCC2)CCC1	839498835	582729786	/nfs/dbraw/zinc/72/97/86/582729786.db2.gz	RZLXGBAFFFKNID-UHFFFAOYSA-N	-1	3	169.224	1.462	10	30		ADEEHM
CCCCNN=Cc1ccc([O-])cn1	755648676	582788467	/nfs/dbraw/zinc/78/84/67/582788467.db2.gz	JMOLAQUUTLTYOX-UHFFFAOYSA-N	-1	3	193.250	1.511	10	30		ADEEHM
CC(C)CON=Cc1ccc([O-])cn1	755802251	582789780	/nfs/dbraw/zinc/78/97/80/582789780.db2.gz	SCHBFAOKYNIWGO-UHFFFAOYSA-N	-1	3	194.234	1.794	10	30		ADEEHM
C#CCO[N-]C(=O)CCCCC(C)C	839773104	582796998	/nfs/dbraw/zinc/79/69/98/582796998.db2.gz	BQKCMYJTQBJOKN-UHFFFAOYSA-N	-1	3	197.278	1.884	10	30		ADEEHM
C#CC(=O)[N-]OCc1ccc(F)cc1	757613581	582797912	/nfs/dbraw/zinc/79/79/12/582797912.db2.gz	NBVOHESQAJXBKD-UHFFFAOYSA-N	-1	3	193.177	1.007	10	30		ADEEHM
Cc1ccc([O-])c(C=NNC2CC2)n1	758132529	582799263	/nfs/dbraw/zinc/79/92/63/582799263.db2.gz	IZVKVCBHCXWNDO-UHFFFAOYSA-N	-1	3	191.234	1.182	10	30		ADEEHM
Cn1[n-]ccc1=NN=C1CCCCC1	774412312	582858264	/nfs/dbraw/zinc/85/82/64/582858264.db2.gz	VMLCXQNUXQUMLS-UHFFFAOYSA-N	-1	3	192.266	1.574	10	30		ADEEHM
CC1=CC(=NN=c2cc[n-]n2C)CC1	774409774	582858317	/nfs/dbraw/zinc/85/83/17/582858317.db2.gz	JMUZROBWFGGLLG-UHFFFAOYSA-N	-1	3	190.250	1.350	10	30		ADEEHM
CCCC(CC)=NN=c1cc[n-]n1C	774413281	582858441	/nfs/dbraw/zinc/85/84/41/582858441.db2.gz	NKBRORSPXHHHMW-UHFFFAOYSA-N	-1	3	194.282	1.820	10	30		ADEEHM
CCC(=NN=c1cc[n-]n1C)C1CC1	774410053	582858477	/nfs/dbraw/zinc/85/84/77/582858477.db2.gz	KQECASBESNGSHI-UHFFFAOYSA-N	-1	3	192.266	1.430	10	30		ADEEHM
CC(CC1CC1)=NN=c1cc[n-]n1C	774414351	582858514	/nfs/dbraw/zinc/85/85/14/582858514.db2.gz	ZCSDICCIDWDYHP-UHFFFAOYSA-N	-1	3	192.266	1.430	10	30		ADEEHM
CC(=NN=c1cc[n-]n1C)C1CCC1	774414897	582858559	/nfs/dbraw/zinc/85/85/59/582858559.db2.gz	YRMZKLLLKRMMHY-UHFFFAOYSA-N	-1	3	192.266	1.430	10	30		ADEEHM
CCC(C=NN=c1cc[n-]n1C)CC	774408786	582858715	/nfs/dbraw/zinc/85/87/15/582858715.db2.gz	CTAKIWGZPKRDCV-UHFFFAOYSA-N	-1	3	194.282	1.676	10	30		ADEEHM
C=C(C)CCOC(=O)c1n[n-]nc1C	805545245	582862349	/nfs/dbraw/zinc/86/23/49/582862349.db2.gz	JSWIHMZSFNGGRX-UHFFFAOYSA-N	-1	3	195.222	1.236	10	30		ADEEHM
C=CCN(C)Cc1nc(C)cc(=O)[n-]1	778170161	582869087	/nfs/dbraw/zinc/86/90/87/582869087.db2.gz	KVRDAIXMDYJYKS-UHFFFAOYSA-N	-1	3	193.250	1.108	10	30		ADEEHM
Cc1nc(CC(C)C)oc1C(=O)N[O-]	789902871	582907711	/nfs/dbraw/zinc/90/77/11/582907711.db2.gz	YCUOFOODZSEEFE-UHFFFAOYSA-N	-1	3	198.222	1.301	10	30		ADEEHM
CC[C@@H](C)NN=Cc1ccc([O-])cn1	790181976	582908879	/nfs/dbraw/zinc/90/88/79/582908879.db2.gz	HIJPEWKELIAWIN-MRVPVSSYSA-N	-1	3	193.250	1.509	10	30		ADEEHM
CC[C@H](C)NN=Cc1ccc([O-])cn1	790181979	582909376	/nfs/dbraw/zinc/90/93/76/582909376.db2.gz	HIJPEWKELIAWIN-QMMMGPOBSA-N	-1	3	193.250	1.509	10	30		ADEEHM
C=CCNN=Cc1nc(C)ccc1[O-]	794993171	582923187	/nfs/dbraw/zinc/92/31/87/582923187.db2.gz	RUYLVLORMYHLHO-UHFFFAOYSA-N	-1	3	191.234	1.205	10	30		ADEEHM
C[C@@H]1[C@H](C(=O)N[O-])[C@H]1c1ccccc1	798107333	582929570	/nfs/dbraw/zinc/92/95/70/582929570.db2.gz	QKWGYNIIVQHUFP-SFGNSQDASA-N	-1	3	191.230	1.542	10	30		ADEEHM
C[C@@H]1[C@H](C(=O)N[O-])[C@@H]1c1ccccc1	798107332	582929721	/nfs/dbraw/zinc/92/97/21/582929721.db2.gz	QKWGYNIIVQHUFP-HGNGGELXSA-N	-1	3	191.230	1.542	10	30		ADEEHM
C[C@H]1[C@H](c2ccccc2)[C@@H]1C(=O)N[O-]	798107331	582930161	/nfs/dbraw/zinc/93/01/61/582930161.db2.gz	QKWGYNIIVQHUFP-FXBDTBDDSA-N	-1	3	191.230	1.542	10	30		ADEEHM
C[C@@H]1[C@@H](C(=O)N[O-])[C@@H]1c1ccccc1	798107334	582930221	/nfs/dbraw/zinc/93/02/21/582930221.db2.gz	QKWGYNIIVQHUFP-UJNFCWOMSA-N	-1	3	191.230	1.542	10	30		ADEEHM
[O-]c1ccc(CS)nc1	757158871	582945746	/nfs/dbraw/zinc/94/57/46/582945746.db2.gz	AROIPMRIIURQFN-UHFFFAOYSA-N	-1	3	141.195	1.217	10	30		ADEEHM
CON=C1CCc2c1ccc([O-])c2F	807962079	582956213	/nfs/dbraw/zinc/95/62/13/582956213.db2.gz	QLJNXGHVZAMGJL-UHFFFAOYSA-N	-1	3	195.193	1.828	10	30		ADEEHM
CC[C@H]1CCC1=NN=c1cc[n-]n1C	807985210	582957330	/nfs/dbraw/zinc/95/73/30/582957330.db2.gz	CGRGOGDQRWCYFR-QMMMGPOBSA-N	-1	3	192.266	1.430	10	30		ADEEHM
CC[C@@H]1CCC1=NN=c1cc[n-]n1C	807985208	582957503	/nfs/dbraw/zinc/95/75/03/582957503.db2.gz	CGRGOGDQRWCYFR-MRVPVSSYSA-N	-1	3	192.266	1.430	10	30		ADEEHM
C=C(C)CNN=Cc1ccc([O-])cn1	811651443	582967356	/nfs/dbraw/zinc/96/73/56/582967356.db2.gz	XSZYOCYQTXITMZ-UHFFFAOYSA-N	-1	3	191.234	1.287	10	30		ADEEHM
C=C(C)CNN=Cc1ccccc1[O-]	811652537	582967456	/nfs/dbraw/zinc/96/74/56/582967456.db2.gz	PAIVJPJYDGVJNW-UHFFFAOYSA-N	-1	3	190.246	1.892	10	30		ADEEHM
C#CCO[N-]C(=O)/C=C(/C)C(C)(C)C	812783187	582971058	/nfs/dbraw/zinc/97/10/58/582971058.db2.gz	CIRXHYQUANWISY-HJWRWDBZSA-N	-1	3	195.262	1.660	10	30		ADEEHM
C#CCO[N-]C(=O)CCCCCC#N	812782767	582971235	/nfs/dbraw/zinc/97/12/35/582971235.db2.gz	ICFFYMPUFJLNLP-UHFFFAOYSA-N	-1	3	194.234	1.141	10	30		ADEEHM
C#CCO[N-]C(=O)/C=C(\C)C(C)(C)C	812783186	582971308	/nfs/dbraw/zinc/97/13/08/582971308.db2.gz	CIRXHYQUANWISY-CMDGGOBGSA-N	-1	3	195.262	1.660	10	30		ADEEHM
C#CCO[N-]C(=O)C1(CCC)CCC1	812781774	582971338	/nfs/dbraw/zinc/97/13/38/582971338.db2.gz	FKMZFNOGIYPJNH-UHFFFAOYSA-N	-1	3	195.262	1.638	10	30		ADEEHM
C#CCO[N-]C(=O)C=C1CCCCC1	812782681	582971353	/nfs/dbraw/zinc/97/13/53/582971353.db2.gz	DFJQMKLFRWUWMO-UHFFFAOYSA-N	-1	3	193.246	1.558	10	30		ADEEHM
[O-]c1ccc(C=NOCC2CC2)nc1	814243730	582977398	/nfs/dbraw/zinc/97/73/98/582977398.db2.gz	LEEJESVUEKNBRZ-UHFFFAOYSA-N	-1	3	192.218	1.548	10	30		ADEEHM
CC#CC(=O)[N-]OC[C@H](C)CC	816978972	582991762	/nfs/dbraw/zinc/99/17/62/582991762.db2.gz	FEEHUYITIBBZNZ-MRVPVSSYSA-N	-1	3	169.224	1.104	10	30		ADEEHM
CC#CC(=O)[N-]OC[C@@H](C)CC	816978973	582991768	/nfs/dbraw/zinc/99/17/68/582991768.db2.gz	FEEHUYITIBBZNZ-QMMMGPOBSA-N	-1	3	169.224	1.104	10	30		ADEEHM
C=CCCC(=O)[N-]OCC1CC1	817357438	582996073	/nfs/dbraw/zinc/99/60/73/582996073.db2.gz	GVDQAFMMTQUCFU-UHFFFAOYSA-N	-1	3	169.224	1.410	10	30		ADEEHM
C=C(C)CCON=C([O-])OCC	818107271	583003967	/nfs/dbraw/zinc/00/39/67/583003967.db2.gz	NNXHIIDCSXHUBO-UHFFFAOYSA-N	-1	3	173.212	1.630	10	30		ADEEHM
C=C(C)CCO[N-]C(=O)OCC	818107271	583003968	/nfs/dbraw/zinc/00/39/68/583003968.db2.gz	NNXHIIDCSXHUBO-UHFFFAOYSA-N	-1	3	173.212	1.630	10	30		ADEEHM
C=CCO[N-]C(=O)C1(C)CC=CC1	821891386	583033065	/nfs/dbraw/zinc/03/30/65/583033065.db2.gz	BZTZJMLDYZMQQB-UHFFFAOYSA-N	-1	3	181.235	1.577	10	30		ADEEHM
C=CCO[N-]C(=O)C[C@H]1CC=CCC1	821891393	583033114	/nfs/dbraw/zinc/03/31/14/583033114.db2.gz	CKGQWSHWJJNMPU-JTQLQIEISA-N	-1	3	195.262	1.967	10	30		ADEEHM
C=CCO[N-]C(=O)C[C@@H]1CC=CCC1	821891394	583033145	/nfs/dbraw/zinc/03/31/45/583033145.db2.gz	CKGQWSHWJJNMPU-SNVBAGLBSA-N	-1	3	195.262	1.967	10	30		ADEEHM
C=CCO[N-]C(=O)CC(C)=C(C)C	823420987	583040578	/nfs/dbraw/zinc/04/05/78/583040578.db2.gz	HYIHYBYNKQAHIA-UHFFFAOYSA-N	-1	3	183.251	1.967	10	30		ADEEHM
C=C(C)CO[N-]C(=O)C1(C)CC=CC1	824028339	583043490	/nfs/dbraw/zinc/04/34/90/583043490.db2.gz	FSJQLMLQEBOFRZ-UHFFFAOYSA-N	-1	3	195.262	1.967	10	30		ADEEHM
C#CCO[N-]C(=O)C1(CCCC)CC1	825137042	583046779	/nfs/dbraw/zinc/04/67/79/583046779.db2.gz	KLOQPEUFCYCBJT-UHFFFAOYSA-N	-1	3	195.262	1.638	10	30		ADEEHM
C=CCCO[N-]C(=O)CC1(C)COC1	825556948	583047615	/nfs/dbraw/zinc/04/76/15/583047615.db2.gz	SFQVORRUTSWCSE-UHFFFAOYSA-N	-1	3	199.250	1.037	10	30		ADEEHM
C=CCCO[N-]C(=O)C1(C)CC=CC1	825565409	583047668	/nfs/dbraw/zinc/04/76/68/583047668.db2.gz	CESZFTYHIACKSM-UHFFFAOYSA-N	-1	3	195.262	1.967	10	30		ADEEHM
C[C@@H](CC#N)C(=O)[N-]OC1CCCC1	831702848	583075260	/nfs/dbraw/zinc/07/52/60/583075260.db2.gz	VDZNZXMTARGXCK-QMMMGPOBSA-N	-1	3	196.250	1.527	10	30		ADEEHM
C[C@H](CC#N)C(=O)[N-]OC1CCCC1	831702846	583075515	/nfs/dbraw/zinc/07/55/15/583075515.db2.gz	VDZNZXMTARGXCK-MRVPVSSYSA-N	-1	3	196.250	1.527	10	30		ADEEHM
C#CCO[N-]C(=O)CCCC(C)C	832328646	583076772	/nfs/dbraw/zinc/07/67/72/583076772.db2.gz	RYAGCFLBWRBDEA-UHFFFAOYSA-N	-1	3	183.251	1.494	10	30		ADEEHM
CC(C)ON=Cc1ccc([O-])cn1	834999686	583090793	/nfs/dbraw/zinc/09/07/93/583090793.db2.gz	DTCGWDCARNOUOJ-UHFFFAOYSA-N	-1	3	180.207	1.546	10	30		ADEEHM
Cc1ccc([O-])c(C=NOC(C)C)n1	834999445	583090971	/nfs/dbraw/zinc/09/09/71/583090971.db2.gz	BPQJOIJZMZJVNB-UHFFFAOYSA-N	-1	3	194.234	1.855	10	30		ADEEHM
C=CCO[N-]C(=O)C/C=C(/C)C=C	837047757	583104358	/nfs/dbraw/zinc/10/43/58/583104358.db2.gz	FHQUWVNOVFGZTN-TWGQIWQCSA-N	-1	3	181.235	1.743	10	30		ADEEHM
C=CCO[N-]C(=O)C/C=C(\C)C=C	837047755	583104430	/nfs/dbraw/zinc/10/44/30/583104430.db2.gz	FHQUWVNOVFGZTN-RMKNXTFCSA-N	-1	3	181.235	1.743	10	30		ADEEHM
C#CCCCC(=O)[N-]OCC=C	837047745	583105210	/nfs/dbraw/zinc/10/52/10/583105210.db2.gz	FCOJCQKJGUWENI-UHFFFAOYSA-N	-1	3	167.208	1.024	10	30		ADEEHM
C=CCO[N-]C(=O)CCCSC	837047297	583105488	/nfs/dbraw/zinc/10/54/88/583105488.db2.gz	DHMCKMKIGUZLFI-UHFFFAOYSA-N	-1	3	189.280	1.363	10	30		ADEEHM
C=CCO[N-]C(=O)CCOCC1CC1	837047172	583105710	/nfs/dbraw/zinc/10/57/10/583105710.db2.gz	AYQMYMAKAMXUAT-UHFFFAOYSA-N	-1	3	199.250	1.037	10	30		ADEEHM
C=CCO[N-]C(=O)[C@@]1(C)C[C@@H]2C[C@@H]2C1	837050165	583106255	/nfs/dbraw/zinc/10/62/55/583106255.db2.gz	WJRKOFZEMBQPST-DOFRTFSJSA-N	-1	3	195.262	1.656	10	30		ADEEHM
C=CCO[N-]C(=O)C1(CCF)CC1	837049894	583106268	/nfs/dbraw/zinc/10/62/68/583106268.db2.gz	SLIIGCBTHNJEQA-UHFFFAOYSA-N	-1	3	187.214	1.360	10	30		ADEEHM
CCO[N-]C(=O)C#CC(C)(C)C	837324623	583107691	/nfs/dbraw/zinc/10/76/91/583107691.db2.gz	IANBKYZVEFAXDQ-UHFFFAOYSA-N	-1	3	169.224	1.104	10	30		ADEEHM
O=C(N[O-])C1(C(F)(F)F)CCCC1	842224472	583122847	/nfs/dbraw/zinc/12/28/47/583122847.db2.gz	BPXIGFHSMCPZGF-UHFFFAOYSA-N	-1	3	197.156	1.615	10	30		ADEEHM
CCCON=Cc1ccc([O-])cn1	842552674	583127107	/nfs/dbraw/zinc/12/71/07/583127107.db2.gz	FKTLGSCHQCEARN-UHFFFAOYSA-N	-1	3	180.207	1.548	10	30		ADEEHM
CCCON=Cc1nc(C)ccc1[O-]	842557763	583127910	/nfs/dbraw/zinc/12/79/10/583127910.db2.gz	SBIMLDMNIKAQEP-UHFFFAOYSA-N	-1	3	194.234	1.856	10	30		ADEEHM
C#CCCCC(=O)[N-]OCCC	844087065	583138598	/nfs/dbraw/zinc/13/85/98/583138598.db2.gz	GJGSHPSHRHUCRV-UHFFFAOYSA-N	-1	3	169.224	1.248	10	30		ADEEHM
C=C(C)CO[N-]C(=O)CCC(F)F	846533764	583154289	/nfs/dbraw/zinc/15/42/89/583154289.db2.gz	MVCXBWZWCGAJFO-UHFFFAOYSA-N	-1	3	193.193	1.656	10	30		ADEEHM
C=C(C)CO[N-]C(=O)[C@H]1CC12CC2	846534660	583154587	/nfs/dbraw/zinc/15/45/87/583154587.db2.gz	WQZFOHRFBACMAH-MRVPVSSYSA-N	-1	3	181.235	1.410	10	30		ADEEHM
C=C(C)CO[N-]C(=O)[C@@H]1CC12CC2	846534661	583154972	/nfs/dbraw/zinc/15/49/72/583154972.db2.gz	WQZFOHRFBACMAH-QMMMGPOBSA-N	-1	3	181.235	1.410	10	30		ADEEHM
C=C[C@H](C)O[N-]C(=O)CC(C)C	846540616	583155229	/nfs/dbraw/zinc/15/52/29/583155229.db2.gz	DAOXACLTXDZNLP-QMMMGPOBSA-N	-1	3	171.240	1.655	10	30		ADEEHM
C=C(C)CO[N-]C(=O)[C@@H]1CC1(C)C	846536737	583155448	/nfs/dbraw/zinc/15/54/48/583155448.db2.gz	YJCKTMSEAIYGFH-QMMMGPOBSA-N	-1	3	183.251	1.656	10	30		ADEEHM
C=C[C@@H](C)O[N-]C(=O)CC(C)C	846540615	583155517	/nfs/dbraw/zinc/15/55/17/583155517.db2.gz	DAOXACLTXDZNLP-MRVPVSSYSA-N	-1	3	171.240	1.655	10	30		ADEEHM
C=C[C@@H](C)O[N-]C(=O)CC1CC1	846542603	583155921	/nfs/dbraw/zinc/15/59/21/583155921.db2.gz	ARLVYMLSBURTSC-SSDOTTSWSA-N	-1	3	169.224	1.409	10	30		ADEEHM
C=C[C@H](C)O[N-]C(=O)[C@@H]1CC1(C)C	846547043	583156183	/nfs/dbraw/zinc/15/61/83/583156183.db2.gz	HZMWLKZAXOBJRA-YUMQZZPRSA-N	-1	3	183.251	1.655	10	30		ADEEHM
C=C[C@@H](C)O[N-]C(=O)[C@@H]1CC1(C)C	846547041	583156316	/nfs/dbraw/zinc/15/63/16/583156316.db2.gz	HZMWLKZAXOBJRA-SFYZADRCSA-N	-1	3	183.251	1.655	10	30		ADEEHM
C=C[C@H](C)O[N-]C(=O)CCCC	846542782	583156419	/nfs/dbraw/zinc/15/64/19/583156419.db2.gz	BVZAGXQTUYUUSQ-QMMMGPOBSA-N	-1	3	171.240	1.799	10	30		ADEEHM
C=C[C@@H](C)O[N-]C(=O)CCCC	846542781	583156506	/nfs/dbraw/zinc/15/65/06/583156506.db2.gz	BVZAGXQTUYUUSQ-MRVPVSSYSA-N	-1	3	171.240	1.799	10	30		ADEEHM
C=C[C@H](C)O[N-]C(=O)CC1CC1	846542604	583156695	/nfs/dbraw/zinc/15/66/95/583156695.db2.gz	ARLVYMLSBURTSC-ZETCQYMHSA-N	-1	3	169.224	1.409	10	30		ADEEHM
C=C[C@@H](C)O[N-]C(=O)[C@H]1CC12CC2	846553854	583157018	/nfs/dbraw/zinc/15/70/18/583157018.db2.gz	FQJLITGESKPQHI-HTQZYQBOSA-N	-1	3	181.235	1.409	10	30		ADEEHM
C=C[C@H](C)O[N-]C(=O)[C@H]1CC12CC2	846553855	583157071	/nfs/dbraw/zinc/15/70/71/583157071.db2.gz	FQJLITGESKPQHI-JGVFFNPUSA-N	-1	3	181.235	1.409	10	30		ADEEHM
C=C[C@@H](C)O[N-]C(=O)[C@@H]1CC12CC2	846553857	583157208	/nfs/dbraw/zinc/15/72/08/583157208.db2.gz	FQJLITGESKPQHI-SFYZADRCSA-N	-1	3	181.235	1.409	10	30		ADEEHM
C=CCCC(=O)[N-]O[C@H](C)C=C	846549080	583157308	/nfs/dbraw/zinc/15/73/08/583157308.db2.gz	HTDKXXQISKEVFH-MRVPVSSYSA-N	-1	3	169.224	1.575	10	30		ADEEHM
C=CCCC(=O)[N-]O[C@@H](C)C=C	846549081	583157346	/nfs/dbraw/zinc/15/73/46/583157346.db2.gz	HTDKXXQISKEVFH-QMMMGPOBSA-N	-1	3	169.224	1.575	10	30		ADEEHM
C=C[C@H](C)O[N-]C(=O)[C@@H]1CC12CC2	846553858	583157719	/nfs/dbraw/zinc/15/77/19/583157719.db2.gz	FQJLITGESKPQHI-YUMQZZPRSA-N	-1	3	181.235	1.409	10	30		ADEEHM
C=C[C@@H](C)O[N-]C(=O)CC1(C#N)CC1	846555819	583158240	/nfs/dbraw/zinc/15/82/40/583158240.db2.gz	ZYRONQOMISNRMG-MRVPVSSYSA-N	-1	3	194.234	1.303	10	30		ADEEHM
C=C[C@H](C)O[N-]C(=O)CC1(C#N)CC1	846555820	583158281	/nfs/dbraw/zinc/15/82/81/583158281.db2.gz	ZYRONQOMISNRMG-QMMMGPOBSA-N	-1	3	194.234	1.303	10	30		ADEEHM
C=C[C@@H](C)O[N-]C(=O)CCC(F)F	846554506	583158288	/nfs/dbraw/zinc/15/82/88/583158288.db2.gz	JZEMGZJORQZJPA-ZCFIWIBFSA-N	-1	3	193.193	1.654	10	30		ADEEHM
C=C[C@H](C)O[N-]C(=O)CCC(F)F	846554505	583158559	/nfs/dbraw/zinc/15/85/59/583158559.db2.gz	JZEMGZJORQZJPA-LURJTMIESA-N	-1	3	193.193	1.654	10	30		ADEEHM
C#CCO[N-]C(=O)C(C)(C)CCC	846652645	583158719	/nfs/dbraw/zinc/15/87/19/583158719.db2.gz	GFLLXPHVFVJPII-UHFFFAOYSA-N	-1	3	183.251	1.494	10	30		ADEEHM
O=C(N[O-])[C@H]1C[C@H]1C1CCCC1	846632093	583158782	/nfs/dbraw/zinc/15/87/82/583158782.db2.gz	VFYGBHWBEHOFMW-YUMQZZPRSA-N	-1	3	169.224	1.318	10	30		ADEEHM
O=C(N[O-])[C@@H]1C[C@@H]1C1CCCC1	846632086	583158820	/nfs/dbraw/zinc/15/88/20/583158820.db2.gz	VFYGBHWBEHOFMW-HTQZYQBOSA-N	-1	3	169.224	1.318	10	30		ADEEHM
O=C(N[O-])[C@H]1C[C@@H]1C1CCCC1	846632092	583158875	/nfs/dbraw/zinc/15/88/75/583158875.db2.gz	VFYGBHWBEHOFMW-SFYZADRCSA-N	-1	3	169.224	1.318	10	30		ADEEHM
O=C(N[O-])[C@@H]1C[C@H]1C1CCCC1	846632089	583159108	/nfs/dbraw/zinc/15/91/08/583159108.db2.gz	VFYGBHWBEHOFMW-JGVFFNPUSA-N	-1	3	169.224	1.318	10	30		ADEEHM
CC(C)CO[N-]C(=O)CCCCC#N	847604360	583163504	/nfs/dbraw/zinc/16/35/04/583163504.db2.gz	RKCKMUHCNQBHPB-UHFFFAOYSA-N	-1	3	198.266	1.774	10	30		ADEEHM
N#CCCCCC(=O)[N-]OCC1CC1	848129070	583166497	/nfs/dbraw/zinc/16/64/97/583166497.db2.gz	MTTDRWUXBYYPSY-UHFFFAOYSA-N	-1	3	196.250	1.528	10	30		ADEEHM
CC(C)O[N-]C(=O)CCCCC#N	848161865	583166732	/nfs/dbraw/zinc/16/67/32/583166732.db2.gz	CSPHTTQYUBFUOF-UHFFFAOYSA-N	-1	3	184.239	1.527	10	30		ADEEHM
O=C(C[C@H]1OCc2ccccc21)N[O-]	848371120	583167157	/nfs/dbraw/zinc/16/71/57/583167157.db2.gz	PKCSDYRIYATFPE-SECBINFHSA-N	-1	3	193.202	1.153	10	30		ADEEHM
N#CCCCCC(=O)[N-]OC1CCC1	848162857	583167179	/nfs/dbraw/zinc/16/71/79/583167179.db2.gz	UEZYBNCHLDXQST-UHFFFAOYSA-N	-1	3	196.250	1.671	10	30		ADEEHM
CCCO[N-]C(=O)CCCCC#N	848239122	583167265	/nfs/dbraw/zinc/16/72/65/583167265.db2.gz	ZSXMNPMCOJAVPE-UHFFFAOYSA-N	-1	3	184.239	1.528	10	30		ADEEHM
C=C[C@@H](C)O[N-]C(=O)CCCCC#N	848245674	583167328	/nfs/dbraw/zinc/16/73/28/583167328.db2.gz	MQSVHRRLCPCBFM-SECBINFHSA-N	-1	3	196.250	1.693	10	30		ADEEHM
O=C(C[C@@H]1OCc2ccccc21)N[O-]	848371121	583167383	/nfs/dbraw/zinc/16/73/83/583167383.db2.gz	PKCSDYRIYATFPE-VIFPVBQESA-N	-1	3	193.202	1.153	10	30		ADEEHM
CCc1cccc(C=NOC)c1[O-]	848403870	583167480	/nfs/dbraw/zinc/16/74/80/583167480.db2.gz	AQNIOVDIGBAGMP-UHFFFAOYSA-N	-1	3	179.219	1.935	10	30		ADEEHM
C=C[C@H](C)O[N-]C(=O)CCCCC#N	848245675	583167670	/nfs/dbraw/zinc/16/76/70/583167670.db2.gz	MQSVHRRLCPCBFM-VIFPVBQESA-N	-1	3	196.250	1.693	10	30		ADEEHM
C=CCO[N-]C(=O)CCCCC#N	848199955	583167796	/nfs/dbraw/zinc/16/77/96/583167796.db2.gz	BKDRNJDRBXNWEQ-UHFFFAOYSA-N	-1	3	182.223	1.304	10	30		ADEEHM
C=C(C)CO[N-]C(=O)CCCCC#N	848245744	583167800	/nfs/dbraw/zinc/16/78/00/583167800.db2.gz	OOWUTZYBJSROMM-UHFFFAOYSA-N	-1	3	196.250	1.694	10	30		ADEEHM
O=C(N[O-])[C@@H]1C[C@H]1c1ccccc1	109027986	583183982	/nfs/dbraw/zinc/18/39/82/583183982.db2.gz	QCZUQSWZNXVMLT-DTWKUNHWSA-N	-1	3	177.203	1.296	10	30		ADEEHM
C[C@H](CC#N)C(=O)[N-]OC1CCC1	854752449	583239499	/nfs/dbraw/zinc/23/94/99/583239499.db2.gz	AIZQIRAYDNOFBS-SSDOTTSWSA-N	-1	3	182.223	1.136	10	30		ADEEHM
C[C@@H](CC#N)C(=O)[N-]OC1CCC1	854752450	583239532	/nfs/dbraw/zinc/23/95/32/583239532.db2.gz	AIZQIRAYDNOFBS-ZETCQYMHSA-N	-1	3	182.223	1.136	10	30		ADEEHM
C=CCO[N-]C(=O)[C@H]1CCC1(C)C	854851622	583242493	/nfs/dbraw/zinc/24/24/93/583242493.db2.gz	ARJBHCADJQKMKX-MRVPVSSYSA-N	-1	3	183.251	1.656	10	30		ADEEHM
C=CCO[N-]C(=O)[C@@H]1CCC1(C)C	854851624	583242887	/nfs/dbraw/zinc/24/28/87/583242887.db2.gz	ARJBHCADJQKMKX-QMMMGPOBSA-N	-1	3	183.251	1.656	10	30		ADEEHM
C=C(C)CO[N-]C(=O)[C@@H](C)CC#N	855026910	583244364	/nfs/dbraw/zinc/24/43/64/583244364.db2.gz	SOCJNYYNYAMSNK-QMMMGPOBSA-N	-1	3	182.223	1.160	10	30		ADEEHM
C=C[C@@H](C)O[N-]C(=O)[C@H](C)CC#N	855027610	583244555	/nfs/dbraw/zinc/24/45/55/583244555.db2.gz	KRHXCGUCYIAMET-HTQZYQBOSA-N	-1	3	182.223	1.158	10	30		ADEEHM
C=C[C@H](C)O[N-]C(=O)[C@@H](C)CC#N	855027613	583244612	/nfs/dbraw/zinc/24/46/12/583244612.db2.gz	KRHXCGUCYIAMET-YUMQZZPRSA-N	-1	3	182.223	1.158	10	30		ADEEHM
C=C[C@H](C)O[N-]C(=O)[C@H](C)CC#N	855027612	583244656	/nfs/dbraw/zinc/24/46/56/583244656.db2.gz	KRHXCGUCYIAMET-SFYZADRCSA-N	-1	3	182.223	1.158	10	30		ADEEHM
C=C[C@@H](C)O[N-]C(=O)[C@@H](C)CC#N	855027611	583244659	/nfs/dbraw/zinc/24/46/59/583244659.db2.gz	KRHXCGUCYIAMET-JGVFFNPUSA-N	-1	3	182.223	1.158	10	30		ADEEHM
C=C(C)CO[N-]C(=O)[C@H](C)CC#N	855026909	583244670	/nfs/dbraw/zinc/24/46/70/583244670.db2.gz	SOCJNYYNYAMSNK-MRVPVSSYSA-N	-1	3	182.223	1.160	10	30		ADEEHM
C=CCCO[N-]C(=O)[C@H](C)CC#N	856028697	583253535	/nfs/dbraw/zinc/25/35/35/583253535.db2.gz	ZNMQXTPYJZKUIN-MRVPVSSYSA-N	-1	3	182.223	1.160	10	30		ADEEHM
C=CCCO[N-]C(=O)[C@H](C)CC	856029784	583253679	/nfs/dbraw/zinc/25/36/79/583253679.db2.gz	CXHXCDFILNDTIL-MRVPVSSYSA-N	-1	3	171.240	1.656	10	30		ADEEHM
C=CCCO[N-]C(=O)CCCCC#N	856028573	583253949	/nfs/dbraw/zinc/25/39/49/583253949.db2.gz	XCOYRSLMPBCUPE-UHFFFAOYSA-N	-1	3	196.250	1.694	10	30		ADEEHM
C=CCCO[N-]C(=O)[C@@H](C)CC#N	856028698	583254016	/nfs/dbraw/zinc/25/40/16/583254016.db2.gz	ZNMQXTPYJZKUIN-QMMMGPOBSA-N	-1	3	182.223	1.160	10	30		ADEEHM
C=CCCO[N-]C(=O)CCC	856027929	583254085	/nfs/dbraw/zinc/25/40/85/583254085.db2.gz	GUHOENAARYTASY-UHFFFAOYSA-N	-1	3	157.213	1.410	10	30		ADEEHM
C=CCCO[N-]C(=O)CCSC	856029045	583254153	/nfs/dbraw/zinc/25/41/53/583254153.db2.gz	XRAHNCWQTOOMRX-UHFFFAOYSA-N	-1	3	189.280	1.363	10	30		ADEEHM
C=CCCO[N-]C(=O)CC	856027798	583254159	/nfs/dbraw/zinc/25/41/59/583254159.db2.gz	AXIFMNDQLQOXNW-UHFFFAOYSA-N	-1	3	143.186	1.020	10	30		ADEEHM
C=CCCO[N-]C(=O)[C@@H](C)CC	856029785	583254471	/nfs/dbraw/zinc/25/44/71/583254471.db2.gz	CXHXCDFILNDTIL-QMMMGPOBSA-N	-1	3	171.240	1.656	10	30		ADEEHM
C=CCCO[N-]C(=O)C(C)C	856029814	583254497	/nfs/dbraw/zinc/25/44/97/583254497.db2.gz	FCKLPPOLBAODPB-UHFFFAOYSA-N	-1	3	157.213	1.266	10	30		ADEEHM
C[C@H](CC#N)C(=O)[N-]OCC1CCC1	856341426	583256687	/nfs/dbraw/zinc/25/66/87/583256687.db2.gz	DBFIWHOXULISJE-MRVPVSSYSA-N	-1	3	196.250	1.384	10	30		ADEEHM
C[C@@H](CC#N)C(=O)[N-]OCC1CCC1	856341428	583256957	/nfs/dbraw/zinc/25/69/57/583256957.db2.gz	DBFIWHOXULISJE-QMMMGPOBSA-N	-1	3	196.250	1.384	10	30		ADEEHM
CO[C@@H](C(=O)N[O-])C1CCCCC1	856847487	583258602	/nfs/dbraw/zinc/25/86/02/583258602.db2.gz	PJXGEZPNNPUSBH-MRVPVSSYSA-N	-1	3	187.239	1.087	10	30		ADEEHM
O=C(N[O-])C1CCC(C2CC2)CC1	856846664	583258701	/nfs/dbraw/zinc/25/87/01/583258701.db2.gz	COAPOEIHMBOMJQ-UHFFFAOYSA-N	-1	3	183.251	1.708	10	30		ADEEHM
Cc1ccc(COCC(=O)N[O-])cc1	856847133	583258867	/nfs/dbraw/zinc/25/88/67/583258867.db2.gz	KEPUIMKJKUMYCV-UHFFFAOYSA-N	-1	3	195.218	1.017	10	30		ADEEHM
CC1=CC[C@@](C)(C(=O)N[O-])CC1	856847877	583258993	/nfs/dbraw/zinc/25/89/93/583258993.db2.gz	XQRIZQQUFSHKAT-SECBINFHSA-N	-1	3	169.224	1.628	10	30		ADEEHM
Cc1cccc(COCC(=O)N[O-])c1	856847119	583259184	/nfs/dbraw/zinc/25/91/84/583259184.db2.gz	JXSSPVIGICKTPR-UHFFFAOYSA-N	-1	3	195.218	1.017	10	30		ADEEHM
O=C(N[O-])C1CC2(CCCCC2)C1	856847511	583259265	/nfs/dbraw/zinc/25/92/65/583259265.db2.gz	QLIGCAGJQJSSIH-UHFFFAOYSA-N	-1	3	183.251	1.852	10	30		ADEEHM
COCC1(C(=O)N[O-])CCCCC1	856846761	583259591	/nfs/dbraw/zinc/25/95/91/583259591.db2.gz	FCLXWCJTTIGKJB-UHFFFAOYSA-N	-1	3	187.239	1.089	10	30		ADEEHM
CC1=CC[C@](C)(C(=O)N[O-])CC1	856847878	583259703	/nfs/dbraw/zinc/25/97/03/583259703.db2.gz	XQRIZQQUFSHKAT-VIFPVBQESA-N	-1	3	169.224	1.628	10	30		ADEEHM
CO[C@H](C(=O)N[O-])C1CCCCC1	856847488	583259709	/nfs/dbraw/zinc/25/97/09/583259709.db2.gz	PJXGEZPNNPUSBH-QMMMGPOBSA-N	-1	3	187.239	1.087	10	30		ADEEHM
CC1(C)CCCC[C@@H]1C(=O)N[O-]	117794833	583287365	/nfs/dbraw/zinc/28/73/65/583287365.db2.gz	YKXGANOUNBUTOD-SSDOTTSWSA-N	-1	3	171.240	1.708	10	30		ADEEHM
CC1(C)CCCC[C@H]1C(=O)N[O-]	117794834	583287866	/nfs/dbraw/zinc/28/78/66/583287866.db2.gz	YKXGANOUNBUTOD-ZETCQYMHSA-N	-1	3	171.240	1.708	10	30		ADEEHM
C=CCO[N-]C(=O)C12CC(C1)C2	861924158	583295365	/nfs/dbraw/zinc/29/53/65/583295365.db2.gz	KLTLWJKNBSTZRB-UHFFFAOYSA-N	-1	3	167.208	1.020	10	30		ADEEHM
C=C(C)CO[N-]C(=O)C12CC(C1)C2	862132267	583296217	/nfs/dbraw/zinc/29/62/17/583296217.db2.gz	CEIDOAZHEJBRBN-UHFFFAOYSA-N	-1	3	181.235	1.410	10	30		ADEEHM
C=C[C@H](C)O[N-]C(=O)C12CC(C1)C2	862133284	583296404	/nfs/dbraw/zinc/29/64/04/583296404.db2.gz	WNSBAKYZPBGCHK-JEUQWKINSA-N	-1	3	181.235	1.409	10	30		ADEEHM
C=C[C@@H](C)O[N-]C(=O)C12CC(C1)C2	862133285	583296501	/nfs/dbraw/zinc/29/65/01/583296501.db2.gz	WNSBAKYZPBGCHK-ZNFPMYQNSA-N	-1	3	181.235	1.409	10	30		ADEEHM
C=CCCO[N-]C(=O)C12CC(C1)C2	862217449	583297123	/nfs/dbraw/zinc/29/71/23/583297123.db2.gz	FEYJFBUMORKSOB-UHFFFAOYSA-N	-1	3	181.235	1.410	10	30		ADEEHM
CC(C)C(C)(C)C(=O)N[O-]	203093378	583300344	/nfs/dbraw/zinc/30/03/44/583300344.db2.gz	CDMZQYXZWSFUNI-UHFFFAOYSA-N	-1	3	145.202	1.174	10	30		ADEEHM
CC1(C(=O)N[O-])CCC(F)(F)CC1	863856787	583312898	/nfs/dbraw/zinc/31/28/98/583312898.db2.gz	NXVXSHJGBHIUJS-UHFFFAOYSA-N	-1	3	193.193	1.707	10	30		ADEEHM
O=C(N[O-])[C@@H]1C[C@H]1c1ccsc1	863856646	583313011	/nfs/dbraw/zinc/31/30/11/583313011.db2.gz	HKDJNMZNHOXJCJ-NKWVEPMBSA-N	-1	3	183.232	1.357	10	30		ADEEHM
CSCCCCCCC(=O)N[O-]	863856575	583313431	/nfs/dbraw/zinc/31/34/31/583313431.db2.gz	DETCVILBLFUYIE-UHFFFAOYSA-N	-1	3	191.296	1.805	10	30		ADEEHM
C=C1CC(C)(C(=O)[N-]OCC)C1	864689509	583321350	/nfs/dbraw/zinc/32/13/50/583321350.db2.gz	MKLNVLMFKPDNAO-UHFFFAOYSA-N	-1	3	169.224	1.410	10	30		ADEEHM
C=C1CC(C)(C(=O)[N-]OC)C1	864749273	583321917	/nfs/dbraw/zinc/32/19/17/583321917.db2.gz	XFMOWKWWRPATGD-UHFFFAOYSA-N	-1	3	155.197	1.020	10	30		ADEEHM
C=C1CC(C)(C(=O)[N-]OCCOC)C1	866355234	583330855	/nfs/dbraw/zinc/33/08/55/583330855.db2.gz	TZIHERVPUFJZNA-UHFFFAOYSA-N	-1	3	199.250	1.037	10	30		ADEEHM
C=C1CC(C)(C(=O)[N-]OCC2CC2)C1	868553197	583337921	/nfs/dbraw/zinc/33/79/21/583337921.db2.gz	BYOHXDBUNDSYSC-UHFFFAOYSA-N	-1	3	195.262	1.801	10	30		ADEEHM
C=CCO[N-]C(=O)[C@@]12CCCC[C@@H]1C2	868764152	583338532	/nfs/dbraw/zinc/33/85/32/583338532.db2.gz	WXFSNGLWBXCIAK-MWLCHTKSSA-N	-1	3	195.262	1.801	10	30		ADEEHM
C=C1CC(C)(C(=O)[N-]OC(C)C)C1	868659542	583338749	/nfs/dbraw/zinc/33/87/49/583338749.db2.gz	YPQHEEVSDBOBFH-UHFFFAOYSA-N	-1	3	183.251	1.799	10	30		ADEEHM
C=CCO[N-]C(=O)[C@]12CCCC[C@H]1C2	868764153	583338973	/nfs/dbraw/zinc/33/89/73/583338973.db2.gz	WXFSNGLWBXCIAK-ONGXEEELSA-N	-1	3	195.262	1.801	10	30		ADEEHM
C=C1CC(C)(C(=O)[N-]OCCC)C1	869084805	583339288	/nfs/dbraw/zinc/33/92/88/583339288.db2.gz	JJLPJAIBGSDJLL-UHFFFAOYSA-N	-1	3	183.251	1.801	10	30		ADEEHM
C=CCCO[N-]C(=O)C1(C)CC(=C)C1	869282205	583340774	/nfs/dbraw/zinc/34/07/74/583340774.db2.gz	BICNHSZYQCGQEN-UHFFFAOYSA-N	-1	3	195.262	1.967	10	30		ADEEHM
C=C(C)Cn1[n-]c(C)c(F)c1=O	871950840	583357185	/nfs/dbraw/zinc/35/71/85/583357185.db2.gz	FMTFHPLPACANDZ-SSDOTTSWSA-N	-1	3	170.187	1.119	10	30		ADEEHM
C=C(C)Cn1[n-]c(C)c(F)c1=O	871950841	583357388	/nfs/dbraw/zinc/35/73/88/583357388.db2.gz	FMTFHPLPACANDZ-ZETCQYMHSA-N	-1	3	170.187	1.119	10	30		ADEEHM
C#C[C@H](C)NC(=O)c1cccc([O-])c1	125000403	583380664	/nfs/dbraw/zinc/38/06/64/583380664.db2.gz	NUUFAZGKOPFOIP-QMMMGPOBSA-N	-1	3	189.214	1.144	10	30		ADEEHM
C=CC(C)(C)CC(=O)[N-]OCC	878008400	583403366	/nfs/dbraw/zinc/40/33/66/583403366.db2.gz	HEVYFNCTAZRMAJ-UHFFFAOYSA-N	-1	3	171.240	1.656	10	30		ADEEHM
C[C@]1(c2ccccc2)C[C@H]1C(=O)N[O-]	878096467	583405367	/nfs/dbraw/zinc/40/53/67/583405367.db2.gz	RTJSTVLQQFTSTA-GXSJLCMTSA-N	-1	3	191.230	1.470	10	30		ADEEHM
C=CCO[N-]C(=O)C[C@@H]1C[C@H]1C1CC1	880228120	583427254	/nfs/dbraw/zinc/42/72/54/583427254.db2.gz	CCJOMODXOJPSPS-UWVGGRQHSA-N	-1	3	195.262	1.656	10	30		ADEEHM
O=C(CC/C=C\c1ccccc1)N[O-]	210964492	583436496	/nfs/dbraw/zinc/43/64/96/583436496.db2.gz	KGHGJVPMHXTGOC-YWEYNIOJSA-N	-1	3	191.230	1.985	10	30		ADEEHM
CCCCCCCn1c([O-])coc1=O	882274310	583451446	/nfs/dbraw/zinc/45/14/46/583451446.db2.gz	HJWYBORKZAOODB-UHFFFAOYSA-N	-1	3	199.250	1.936	10	30		ADEEHM
C#CC1([N-]C(=O)C(F)F)CCCC1	882533672	583453732	/nfs/dbraw/zinc/45/37/32/583453732.db2.gz	HJJUDRJCRSZKPA-UHFFFAOYSA-N	-1	3	187.189	1.314	10	30		ADEEHM
C=C[C@@H](C)NCc1nc(C)ccc1[O-]	130464457	491033713	/nfs/dbraw/zinc/03/37/13/491033713.db2.gz	GHQIFIFBZVJLIM-MRVPVSSYSA-N	-1	3	192.262	1.760	10	30		ADEEHM
C=C[C@H](C)NCc1nc(C)ccc1[O-]	130464257	491033770	/nfs/dbraw/zinc/03/37/70/491033770.db2.gz	GHQIFIFBZVJLIM-QMMMGPOBSA-N	-1	3	192.262	1.760	10	30		ADEEHM
CC(C)(C)/C(Cn1cncn1)=N\[O-]	196617206	491040155	/nfs/dbraw/zinc/04/01/55/491040155.db2.gz	YOHXSIRUWOBUFZ-XFFZJAGNSA-N	-1	3	182.227	1.154	10	30		ADEEHM
O=C(CC1(C(F)(F)F)CC1)N[O-]	307474799	491062344	/nfs/dbraw/zinc/06/23/44/491062344.db2.gz	SSFVPXYSNDONKK-UHFFFAOYSA-N	-1	3	183.129	1.224	10	30		ADEEHM
CC(F)(F)C(C)(C)C(=O)N[O-]	406089398	491119847	/nfs/dbraw/zinc/11/98/47/491119847.db2.gz	FGBZCRHUMWVWBZ-UHFFFAOYSA-N	-1	3	167.155	1.173	10	30		ADEEHM
CC[C@H](C)CO[N-]C(=O)[C@@H]1C[C@@H]1C#N	1641612380	1188748793	/nfs/dbraw/zinc/74/87/93/1188748793.db2.gz	GTPSCKDELDTUNT-DJLDLDEBSA-N	-1	3	196.250	1.240	10	30		ADEEHM
CC[C@@H](C)CO[N-]C(=O)[C@@H]1C[C@@H]1C#N	1641612381	1188748798	/nfs/dbraw/zinc/74/87/98/1188748798.db2.gz	GTPSCKDELDTUNT-IWSPIJDZSA-N	-1	3	196.250	1.240	10	30		ADEEHM
N#CCCc1cccc([O-])c1F	307010498	1188803179	/nfs/dbraw/zinc/80/31/79/1188803179.db2.gz	IVTSQLIFGBRPGI-UHFFFAOYSA-N	-1	3	165.167	1.987	10	30		ADEEHM
C#CCC[N-]C(=O)C(F)(F)C(F)F	226645021	697693649	/nfs/dbraw/zinc/69/36/49/697693649.db2.gz	GPCVFCMSRCAHLY-UHFFFAOYSA-N	-1	3	197.131	1.026	10	30		ADEEHM
Cn1[n-]ccc1=NN=C1CCCC1	308202131	697760344	/nfs/dbraw/zinc/76/03/44/697760344.db2.gz	ZKIFGWOJNSGFMR-UHFFFAOYSA-N	-1	3	178.239	1.184	10	30		ADEEHM
C=CCC(F)(F)C(=O)[N-][C@H](C)C#N	378854472	697790254	/nfs/dbraw/zinc/79/02/54/697790254.db2.gz	IXYGKOPPSIGOFO-ZCFIWIBFSA-N	-1	3	188.177	1.226	10	30		ADEEHM
C#CCO[N-]C(=O)CC1=CCCCC1	379621669	697905738	/nfs/dbraw/zinc/90/57/38/697905738.db2.gz	GEORZUHIFKDQJO-UHFFFAOYSA-N	-1	3	193.246	1.558	10	30		ADEEHM
CCON=Cc1nc(C)ccc1[O-]	388359137	697954772	/nfs/dbraw/zinc/95/47/72/697954772.db2.gz	RXKUVRWFAFHFEL-UHFFFAOYSA-N	-1	3	180.207	1.466	10	30		ADEEHM
C=CCC1(C(=O)[N-]OC)CCC1	388393947	697959083	/nfs/dbraw/zinc/95/90/83/697959083.db2.gz	FQGREIKZZHOFLX-UHFFFAOYSA-N	-1	3	169.224	1.410	10	30		ADEEHM
C=CCCC(=O)[N-]OCC(F)F	388393607	697959110	/nfs/dbraw/zinc/95/91/10/697959110.db2.gz	FEMBVUFGQCICST-UHFFFAOYSA-N	-1	3	179.166	1.266	10	30		ADEEHM
C#CCON=Cc1nc(C)ccc1[O-]	812233508	698103070	/nfs/dbraw/zinc/10/30/70/698103070.db2.gz	ULBPFINKAALCPQ-UHFFFAOYSA-N	-1	3	190.202	1.079	10	30		ADEEHM
C#CCCCCCC(=O)[N-]OCC#C	812787125	698104595	/nfs/dbraw/zinc/10/45/95/698104595.db2.gz	DQCLBPAMJSMIDT-UHFFFAOYSA-N	-1	3	193.246	1.251	10	30		ADEEHM
C=CCCN(C)c1cc(=O)[n-]cn1	893405512	698155230	/nfs/dbraw/zinc/15/52/30/698155230.db2.gz	FFSBNPCPORKMLL-UHFFFAOYSA-N	-1	3	179.223	1.195	10	30		ADEEHM
C=CCCO[N-]C(=O)C1(C2CC2)CC1	898939891	698165136	/nfs/dbraw/zinc/16/51/36/698165136.db2.gz	YEVNYYBWWBPGQJ-UHFFFAOYSA-N	-1	3	195.262	1.801	10	30		ADEEHM
O=C1COc2ccc(Cl)cc2N1[O-]	5844458	132177372	/nfs/dbraw/zinc/17/73/72/132177372.db2.gz	YULGZUDKZCSWDA-UHFFFAOYSA-N	-1	3	199.593	1.455	10	30		ADEEHM
CC[C@@H]1Oc2ccccc2N([O-])C1=O	32189796	132186494	/nfs/dbraw/zinc/18/64/94/132186494.db2.gz	VVTRVUOMIPLROC-QMMMGPOBSA-N	-1	3	193.202	1.580	10	30		ADEEHM
CC[C@H]1Oc2ccccc2N([O-])C1=O	32189797	132186718	/nfs/dbraw/zinc/18/67/18/132186718.db2.gz	VVTRVUOMIPLROC-MRVPVSSYSA-N	-1	3	193.202	1.580	10	30		ADEEHM
CC1(C)Cc2ccccc2N([O-])C1=O	38337781	132188933	/nfs/dbraw/zinc/18/89/33/132188933.db2.gz	KJZCUWSVPBZFMS-UHFFFAOYSA-N	-1	3	191.230	1.991	10	30		ADEEHM
CN1CC/C(=N/[O-])c2ccccc21	39253311	132190155	/nfs/dbraw/zinc/19/01/55/132190155.db2.gz	WCLMVRQMQZRRMU-LUAWRHEFSA-N	-1	3	176.219	1.705	10	30		ADEEHM
C[C@H]1Oc2ccccc2N([O-])C1=O	4648853	132193325	/nfs/dbraw/zinc/19/33/25/132193325.db2.gz	ZLWRCWXTDTUWRE-ZCFIWIBFSA-N	-1	3	179.175	1.190	10	30		ADEEHM
C[C@@H]1Oc2ccccc2N([O-])C1=O	4648854	132193529	/nfs/dbraw/zinc/19/35/29/132193529.db2.gz	ZLWRCWXTDTUWRE-LURJTMIESA-N	-1	3	179.175	1.190	10	30		ADEEHM
C[C@@H]1CCC(=O)C=C1[O-]	38233823	343186099	/nfs/dbraw/zinc/18/60/99/343186099.db2.gz	MMAISPBNIWWZHP-RXMQYKEDSA-N	-1	3	126.155	1.427	10	30		ADEEHM
C[C@@H]1CCC([O-])=CC1=O	38233823	343186100	/nfs/dbraw/zinc/18/61/00/343186100.db2.gz	MMAISPBNIWWZHP-RXMQYKEDSA-N	-1	3	126.155	1.427	10	30		ADEEHM
C[C@H]1CCC(=O)C=C1[O-]	38233824	343186103	/nfs/dbraw/zinc/18/61/03/343186103.db2.gz	MMAISPBNIWWZHP-YFKPBYRVSA-N	-1	3	126.155	1.427	10	30		ADEEHM
C[C@H]1CCC([O-])=CC1=O	38233824	343186104	/nfs/dbraw/zinc/18/61/04/343186104.db2.gz	MMAISPBNIWWZHP-YFKPBYRVSA-N	-1	3	126.155	1.427	10	30		ADEEHM
C#CCNCc1ccc(C(=O)[O-])cc1	50920273	343287119	/nfs/dbraw/zinc/28/71/19/343287119.db2.gz	CUZCGDGGEBSTLP-UHFFFAOYSA-N	-1	3	189.214	1.108	10	30		ADEEHM
Cc1cccc(-c2nnc(CC#N)[n-]2)c1	53994819	343317059	/nfs/dbraw/zinc/31/70/59/343317059.db2.gz	BKHWOJQMLWTAEW-UHFFFAOYSA-N	-1	3	198.229	1.846	10	30		ADEEHM
N#CCc1nc(-c2ccsc2)n[n-]1	70584224	343497166	/nfs/dbraw/zinc/49/71/66/343497166.db2.gz	MASWKBMEGBNBTC-UHFFFAOYSA-N	-1	3	190.231	1.599	10	30		ADEEHM
C[C@H]1CCc2c(c[n-]c(=O)c2C#N)C1	72416851	343570395	/nfs/dbraw/zinc/57/03/95/343570395.db2.gz	WHHJIXVPAPXJIF-ZETCQYMHSA-N	-1	3	188.230	1.371	10	30		ADEEHM
C[C@H]1CCc2c[n-]c(=O)c(C#N)c2C1	72416527	343570415	/nfs/dbraw/zinc/57/04/15/343570415.db2.gz	GLMAKDXQQJIKIC-ZETCQYMHSA-N	-1	3	188.230	1.371	10	30		ADEEHM
N#Cc1ccc([O-])c2c1CCC2	98183809	343707261	/nfs/dbraw/zinc/70/72/61/343707261.db2.gz	AYTGPQYALDFTSI-UHFFFAOYSA-N	-1	3	159.188	1.753	10	30		ADEEHM
C#CCCCCc1nc(C)cc(=O)[n-]1	39422953	166016269	/nfs/dbraw/zinc/01/62/69/166016269.db2.gz	ZKPRXLFUQLIKCO-UHFFFAOYSA-N	-1	3	190.246	1.424	10	30		ADEEHM
C#CCNC1(C(=O)[O-])CCC(C)CC1	41730841	166022533	/nfs/dbraw/zinc/02/25/33/166022533.db2.gz	HKFKCVFDRBLCLW-UHFFFAOYSA-N	-1	3	195.262	1.243	10	30		ADEEHM
C#CCNCc1ccc([O-])c(Cl)c1	43476605	166023581	/nfs/dbraw/zinc/02/35/81/166023581.db2.gz	PSAXXUWGPQWLJG-UHFFFAOYSA-N	-1	3	195.649	1.768	10	30		ADEEHM
C#CCN[C@@H](C(=O)[O-])C1CCCCC1	51963505	166024196	/nfs/dbraw/zinc/02/41/96/166024196.db2.gz	IUZBZPINYHGHQM-SNVBAGLBSA-N	-1	3	195.262	1.243	10	30		ADEEHM
C#CCN[C@@H](C(=O)[O-])[C@H]1CC=CCC1	51963399	166024456	/nfs/dbraw/zinc/02/44/56/166024456.db2.gz	WNYMQEYAMSFKEO-VHSXEESVSA-N	-1	3	193.246	1.019	10	30		ADEEHM
C#CCN[C@@H](C(=O)[O-])[C@@H]1CC=CCC1	51963403	166025380	/nfs/dbraw/zinc/02/53/80/166025380.db2.gz	WNYMQEYAMSFKEO-NXEZZACHSA-N	-1	3	193.246	1.019	10	30		ADEEHM
C#CCN[C@]1(C(=O)[O-])CCCC[C@H]1C	41730581	166026038	/nfs/dbraw/zinc/02/60/38/166026038.db2.gz	GBSNBQQOWWEMQN-MWLCHTKSSA-N	-1	3	195.262	1.243	10	30		ADEEHM
C#CCN[C@@]1(C(=O)[O-])CCC[C@H](C)C1	41730632	166026470	/nfs/dbraw/zinc/02/64/70/166026470.db2.gz	QQWRKISLPVANOI-ONGXEEELSA-N	-1	3	195.262	1.243	10	30		ADEEHM
C#CCN[C@]1(C(=O)[O-])CCC[C@H](C)C1	41730624	166026650	/nfs/dbraw/zinc/02/66/50/166026650.db2.gz	QQWRKISLPVANOI-GXSJLCMTSA-N	-1	3	195.262	1.243	10	30		ADEEHM
C#CCN[C@@]1(C(=O)[O-])CCC[C@@H](C)C1	41730628	166026726	/nfs/dbraw/zinc/02/67/26/166026726.db2.gz	QQWRKISLPVANOI-KOLCDFICSA-N	-1	3	195.262	1.243	10	30		ADEEHM
C#CCN[C@@]1(C(=O)[O-])CCCC[C@H]1C	41730590	166026862	/nfs/dbraw/zinc/02/68/62/166026862.db2.gz	GBSNBQQOWWEMQN-KOLCDFICSA-N	-1	3	195.262	1.243	10	30		ADEEHM
C#CCN[C@]1(C(=O)[O-])CCCC[C@@H]1C	41730586	166026885	/nfs/dbraw/zinc/02/68/85/166026885.db2.gz	GBSNBQQOWWEMQN-GXSJLCMTSA-N	-1	3	195.262	1.243	10	30		ADEEHM
C#CCN[C@H](C(=O)[O-])[C@@H]1CC=CCC1	51963401	166026901	/nfs/dbraw/zinc/02/69/01/166026901.db2.gz	WNYMQEYAMSFKEO-ZJUUUORDSA-N	-1	3	193.246	1.019	10	30		ADEEHM
C#CCN[C@]1(C(=O)[O-])CCC[C@@H](C)C1	41730620	166027035	/nfs/dbraw/zinc/02/70/35/166027035.db2.gz	QQWRKISLPVANOI-MWLCHTKSSA-N	-1	3	195.262	1.243	10	30		ADEEHM
C#CCN[C@H](C(=O)[O-])[C@H]1CC=CCC1	51963398	166027251	/nfs/dbraw/zinc/02/72/51/166027251.db2.gz	WNYMQEYAMSFKEO-UWVGGRQHSA-N	-1	3	193.246	1.019	10	30		ADEEHM
C#CCN[C@@]1(C(=O)[O-])CCCC[C@@H]1C	41730593	166027401	/nfs/dbraw/zinc/02/74/01/166027401.db2.gz	GBSNBQQOWWEMQN-ONGXEEELSA-N	-1	3	195.262	1.243	10	30		ADEEHM
C#CCN[C@H](C(=O)[O-])C1CCCCC1	51963503	166027854	/nfs/dbraw/zinc/02/78/54/166027854.db2.gz	IUZBZPINYHGHQM-JTQLQIEISA-N	-1	3	195.262	1.243	10	30		ADEEHM
C#Cc1ccc(OC)cc1[O-]	104155579	166042381	/nfs/dbraw/zinc/04/23/81/166042381.db2.gz	OXOONUQMEBUCOZ-UHFFFAOYSA-N	-1	3	148.161	1.382	10	30		ADEEHM
C#Cc1nc(C)ccc1[O-]	39049089	166044158	/nfs/dbraw/zinc/04/41/58/166044158.db2.gz	IJEMLEVPGVCWGK-UHFFFAOYSA-N	-1	3	133.150	1.077	10	30		ADEEHM
C/C(=N/CCO)c1ccccc1[O-]	105953700	166051524	/nfs/dbraw/zinc/05/15/24/166051524.db2.gz	HCKRCDKBTNEERR-FLIBITNWSA-N	-1	3	179.219	1.194	10	30		ADEEHM
C/C(=N/[O-])c1cc2c(cc1N)OCO2	101268713	166052801	/nfs/dbraw/zinc/05/28/01/166052801.db2.gz	WSEMYTWGFFNSBF-WZUFQYTHSA-N	-1	3	194.190	1.196	10	30		ADEEHM
C/C(=N\[O-])c1cccc(OCCO)c1	19429817	166052811	/nfs/dbraw/zinc/05/28/11/166052811.db2.gz	INROIGJBUAUYPW-DHZHZOJOSA-N	-1	3	195.218	1.256	10	30		ADEEHM
C/C(=N\[O-])C(=O)NC1CCCCC1	20159983	166052906	/nfs/dbraw/zinc/05/29/06/166052906.db2.gz	OBLXFPVNDVZUHP-YRNVUSSQSA-N	-1	3	184.239	1.285	10	30		ADEEHM
C/C(=N\[O-])c1cccc(OCC#N)c1	19510701	166052943	/nfs/dbraw/zinc/05/29/43/166052943.db2.gz	JXUUZHHJJFBVKH-XYOKQWHBSA-N	-1	3	190.202	1.787	10	30		ADEEHM
C/C(=N/[O-])c1ccc2[nH]c(=O)[nH]c2c1	104812686	166052951	/nfs/dbraw/zinc/05/29/51/166052951.db2.gz	DVHWMURJSSFXRW-XGICHPGQSA-N	-1	3	191.190	1.054	10	30		ADEEHM
C/C(=N\[O-])c1cccc(NC(N)=O)c1	19502441	166053202	/nfs/dbraw/zinc/05/32/02/166053202.db2.gz	VPECXBDAJOVZAK-WUXMJOGZSA-N	-1	3	193.206	1.375	10	30		ADEEHM
C/C(=N/[O-])c1ccc(C)o1	105461032	166053265	/nfs/dbraw/zinc/05/32/65/166053265.db2.gz	HZNJITMIJAXIJG-VURMDHGXSA-N	-1	3	139.154	1.786	10	30		ADEEHM
C/C(=N\[O-])c1ccc(OCC#N)cc1	19442520	166053383	/nfs/dbraw/zinc/05/33/83/166053383.db2.gz	JMTFXVKFMJHBMP-XYOKQWHBSA-N	-1	3	190.202	1.787	10	30		ADEEHM
C/C(=N\[O-])c1ccc(OCCO)cc1	100059158	166053510	/nfs/dbraw/zinc/05/35/10/166053510.db2.gz	DDWMIDRTWBABLN-DHZHZOJOSA-N	-1	3	195.218	1.256	10	30		ADEEHM
C/C(=N/[O-])c1ccc(C)cc1O	100067343	166053742	/nfs/dbraw/zinc/05/37/42/166053742.db2.gz	OKHFHYLUACAYPT-YFHOEESVSA-N	-1	3	165.192	1.899	10	30		ADEEHM
C/C(=N/[O-])c1ccc2c(c1)CCO2	4697062	166053952	/nfs/dbraw/zinc/05/39/52/166053952.db2.gz	RAEPYEDOZKENTI-XFFZJAGNSA-N	-1	3	177.203	1.820	10	30		ADEEHM
C/C(=N\[O-])c1ccccc1NC(N)=O	19503142	166054252	/nfs/dbraw/zinc/05/42/52/166054252.db2.gz	DCPNNAWEBPCDCQ-WUXMJOGZSA-N	-1	3	193.206	1.375	10	30		ADEEHM
C/C(=N\[O-])c1ccncc1F	238850941	166054378	/nfs/dbraw/zinc/05/43/78/166054378.db2.gz	DKYNBJXGUORJKF-UHFFFAOYSA-N	-1	3	154.144	1.419	10	30		ADEEHM
C/C(=N/[O-])c1ccc(NC(N)=O)cc1	104572563	166054490	/nfs/dbraw/zinc/05/44/90/166054490.db2.gz	SNNLVQCUGUDPIN-SDQBBNPISA-N	-1	3	193.206	1.375	10	30		ADEEHM
C/C(=N/[O-])c1ccc2c(c1)OCO2	16137238	166054945	/nfs/dbraw/zinc/05/49/45/166054945.db2.gz	BDSUJNDSNUKNAU-POHAHGRESA-N	-1	3	179.175	1.614	10	30		ADEEHM
C/C(=N/[O-])c1cncc(F)c1	39088577	166055001	/nfs/dbraw/zinc/05/50/01/166055001.db2.gz	FQHVUPYZRCPUCT-YHYXMXQVSA-N	-1	3	154.144	1.419	10	30		ADEEHM
C/C(=N\[O-])c1csc(C)n1	16249003	166055472	/nfs/dbraw/zinc/05/54/72/166055472.db2.gz	FWROCYSXRUFAEY-XBXARRHUSA-N	-1	3	156.210	1.650	10	30		ADEEHM
C/C(CC(=O)c1ccncc1)=N\[O-]	96327944	166056298	/nfs/dbraw/zinc/05/62/98/166056298.db2.gz	IUTODWBSAVNRGS-YRNVUSSQSA-N	-1	3	178.191	1.505	10	30		ADEEHM
C/C(Cn1nc(C)cc1C)=N/[O-]	104305851	166057922	/nfs/dbraw/zinc/05/79/22/166057922.db2.gz	SMSZXJUIBZVLLN-YFHOEESVSA-N	-1	3	167.212	1.350	10	30		ADEEHM
C/C(Cn1cc(C)cn1)=N/[O-]	12398541	166057927	/nfs/dbraw/zinc/05/79/27/166057927.db2.gz	NVDSFDWLXDCRFA-CLFYSBASSA-N	-1	3	153.185	1.042	10	30		ADEEHM
C/C(Cl)=N\[O-]	103842047	166057964	/nfs/dbraw/zinc/05/79/64/166057964.db2.gz	RNSUNNOEBOGKHG-DUXPYHPUSA-N	-1	3	93.513	1.033	10	30		ADEEHM
C/C=N\c1cc(O)ccc1[O-]	39059268	166069955	/nfs/dbraw/zinc/06/99/55/166069955.db2.gz	IHYWETJETULFPN-MBXJOHMKSA-N	-1	3	151.165	1.820	10	30		ADEEHM
CN=C(C)Nc1ccccc1C(=O)[O-]	39083817	166070059	/nfs/dbraw/zinc/07/00/59/166070059.db2.gz	JOOTVURYOOHGQA-UHFFFAOYSA-N	-1	3	192.218	1.845	10	30		ADEEHM
C/N=C(\C)c1ccccc1[O-]	38220262	166070250	/nfs/dbraw/zinc/07/02/50/166070250.db2.gz	ZTFWAKPIMFYDAO-JXMROGBWSA-N	-1	3	149.193	1.831	10	30		ADEEHM
C/N=C1\SC[C@](C)(/C=N/[O-])S1	102831591	166071586	/nfs/dbraw/zinc/07/15/86/166071586.db2.gz	AWQLUGJVIRKDEB-HLPKGTCRSA-N	-1	3	190.293	1.671	10	30		ADEEHM
C/N=C1\SC[C@@](C)(/C=N/[O-])S1	102831594	166072187	/nfs/dbraw/zinc/07/21/87/166072187.db2.gz	AWQLUGJVIRKDEB-BIKHCOTJSA-N	-1	3	190.293	1.671	10	30		ADEEHM
C/N=C\c1ccc(OC)cc1[O-]	39089578	166072271	/nfs/dbraw/zinc/07/22/71/166072271.db2.gz	XBRLJQMRQAEVFX-POHAHGRESA-N	-1	3	165.192	1.450	10	30		ADEEHM
C/N=C/c1ccc(OC)cc1[O-]	100241510	166072418	/nfs/dbraw/zinc/07/24/18/166072418.db2.gz	XBRLJQMRQAEVFX-UXBLZVDNSA-N	-1	3	165.192	1.450	10	30		ADEEHM
C/N=C1C(=N/[O-])\C=Cc2ccccc2\1	102452808	166072739	/nfs/dbraw/zinc/07/27/39/166072739.db2.gz	LDYFMFHZHVFVLP-RBPRBBOISA-N	-1	3	186.214	1.963	10	30		ADEEHM
C=C(C)C(=O)Nc1ccccc1[O-]	39204074	166114399	/nfs/dbraw/zinc/11/43/99/166114399.db2.gz	ICWPRFNZEBFLPT-UHFFFAOYSA-N	-1	3	177.203	1.907	10	30		ADEEHM
C=C(C)CNC(=O)c1cccc([O-])c1	160657652	166118751	/nfs/dbraw/zinc/11/87/51/166118751.db2.gz	WUEAJBRWWCNWHG-UHFFFAOYSA-N	-1	3	191.230	1.698	10	30		ADEEHM
C=C(C)CNC(=O)c1ccc([O-])cc1	28863506	166120082	/nfs/dbraw/zinc/12/00/82/166120082.db2.gz	IORDNWRTOSSEID-UHFFFAOYSA-N	-1	3	191.230	1.698	10	30		ADEEHM
C=C(C)Cc1c(C)nc(C)[n-]c1=O	12653127	166125586	/nfs/dbraw/zinc/12/55/86/166125586.db2.gz	KEUFYRXCUUMHIA-UHFFFAOYSA-N	-1	3	178.235	1.505	10	30		ADEEHM
C=C(C)Cc1c(C)[n-][nH]c1=O	100313583	166125672	/nfs/dbraw/zinc/12/56/72/166125672.db2.gz	MDBUISLFEMEFEZ-SSDOTTSWSA-N	-1	3	152.197	1.075	10	30		ADEEHM
C=C(C)Cc1c(C)[n-][nH]c1=O	100313586	166125780	/nfs/dbraw/zinc/12/57/80/166125780.db2.gz	MDBUISLFEMEFEZ-ZETCQYMHSA-N	-1	3	152.197	1.075	10	30		ADEEHM
C=C(C)c1ncccc1[O-]	72231333	166131809	/nfs/dbraw/zinc/13/18/09/166131809.db2.gz	CFSIZTJBPFTITQ-UHFFFAOYSA-N	-1	3	135.166	1.820	10	30		ADEEHM
C=C(C)c1nc(C)cc(=O)[n-]1	39053198	166132721	/nfs/dbraw/zinc/13/27/21/166132721.db2.gz	BMEPZLVSIKAOJO-UHFFFAOYSA-N	-1	3	150.181	1.111	10	30		ADEEHM
C=C(c1ccccc1)[C@@H](N)C(=O)[O-]	39279368	166138981	/nfs/dbraw/zinc/13/89/81/166138981.db2.gz	FIKFCXGHULRYQK-SECBINFHSA-N	-1	3	177.203	1.112	10	30		ADEEHM
C=C(c1ccccc1)[C@H](N)C(=O)[O-]	39279367	166139970	/nfs/dbraw/zinc/13/99/70/166139970.db2.gz	FIKFCXGHULRYQK-VIFPVBQESA-N	-1	3	177.203	1.112	10	30		ADEEHM
C=C1CSCc2c1nc(C)[n-]c2=O	25974	166148884	/nfs/dbraw/zinc/14/88/84/166148884.db2.gz	FLBMKNANPDFOQS-UHFFFAOYSA-N	-1	3	194.259	1.338	10	30		ADEEHM
C=CC(=O)c1ccc([O-])c(OC)c1	75568205	166159810	/nfs/dbraw/zinc/15/98/10/166159810.db2.gz	HAJPCOSOWIMWFV-UHFFFAOYSA-N	-1	3	178.187	1.770	10	30		ADEEHM
C=CC(=O)c1cccc([O-])c1	39319052	166160070	/nfs/dbraw/zinc/16/00/70/166160070.db2.gz	KTLZUYNVMZDGOA-UHFFFAOYSA-N	-1	3	148.161	1.761	10	30		ADEEHM
C=CCN([O-])C(=O)c1ccccc1	39139124	166175179	/nfs/dbraw/zinc/17/51/79/166175179.db2.gz	BRHIWRWVVLAPDC-UHFFFAOYSA-N	-1	3	177.203	1.704	10	30		ADEEHM
C=CCNC(=O)c1ccc([O-])cc1	19836623	166184559	/nfs/dbraw/zinc/18/45/59/166184559.db2.gz	QSNTWWMBENTVHH-UHFFFAOYSA-N	-1	3	177.203	1.308	10	30		ADEEHM
C=CCNCc1ccc(C(=O)[O-])cc1	10475020	166187217	/nfs/dbraw/zinc/18/72/17/166187217.db2.gz	QOAMZMPXLVTLHN-UHFFFAOYSA-N	-1	3	191.230	1.660	10	30		ADEEHM
C=CCNCc1ccc(C(=O)[O-])o1	41582075	166187506	/nfs/dbraw/zinc/18/75/06/166187506.db2.gz	PGMQGLFMJKHQEE-UHFFFAOYSA-N	-1	3	181.191	1.253	10	30		ADEEHM
C=CCNCc1ccccc1C(=O)[O-]	10475021	166190600	/nfs/dbraw/zinc/19/06/00/166190600.db2.gz	MIIZQGHTESFNRZ-UHFFFAOYSA-N	-1	3	191.230	1.660	10	30		ADEEHM
C=CCN[C@@H]1CCCc2o[n-]c(=O)c21	13803355	166190915	/nfs/dbraw/zinc/19/09/15/166190915.db2.gz	LNSFEOOWPOLBMN-SSDOTTSWSA-N	-1	3	194.234	1.533	10	30		ADEEHM
C=CCN[C@H]1CCCc2o[n-]c(=O)c21	13803356	166191777	/nfs/dbraw/zinc/19/17/77/166191777.db2.gz	LNSFEOOWPOLBMN-ZETCQYMHSA-N	-1	3	194.234	1.533	10	30		ADEEHM
C=CCNc1nc([O-])cs1	44176269	166194903	/nfs/dbraw/zinc/19/49/03/166194903.db2.gz	QFBQEGAFCDGVJX-UHFFFAOYSA-N	-1	3	156.210	1.447	10	30		ADEEHM
C=CCO[N-]C(=O)Cc1ccccc1	61704699	166196278	/nfs/dbraw/zinc/19/62/78/166196278.db2.gz	BOVBXBDTZGVZOX-UHFFFAOYSA-N	-1	3	191.230	1.463	10	30		ADEEHM
C=CCOc1cccc(C=O)c1[O-]	75568271	166197237	/nfs/dbraw/zinc/19/72/37/166197237.db2.gz	FMLYOUGESVMGAH-UHFFFAOYSA-N	-1	3	178.187	1.770	10	30		ADEEHM
C=CCSc1ncc([O-])cn1	75556392	166198296	/nfs/dbraw/zinc/19/82/96/166198296.db2.gz	XJXKQMZXPACXBC-UHFFFAOYSA-N	-1	3	168.221	1.460	10	30		ADEEHM
C=CC[C@@](N)(C(=O)[O-])c1ccccc1	38416444	166201756	/nfs/dbraw/zinc/20/17/56/166201756.db2.gz	DCHXDQRGXGXRIY-NSHDSACASA-N	-1	3	191.230	1.501	10	30		ADEEHM
C=CC[C@](N)(C(=O)[O-])c1ccccc1	38416443	166205068	/nfs/dbraw/zinc/20/50/68/166205068.db2.gz	DCHXDQRGXGXRIY-LLVKDONJSA-N	-1	3	191.230	1.501	10	30		ADEEHM
C=CCc1c(C)[n-]c(=O)c(C#N)c1C	84318	166207016	/nfs/dbraw/zinc/20/70/16/166207016.db2.gz	FHDSHCANNCYFSK-UHFFFAOYSA-N	-1	3	188.230	1.592	10	30		ADEEHM
C=CCc1c([O-])cccc1C#N	39060313	166207258	/nfs/dbraw/zinc/20/72/58/166207258.db2.gz	QEMHTDCYEVIHAP-UHFFFAOYSA-N	-1	3	159.188	1.992	10	30		ADEEHM
C=CCc1c(CO)cnc(C)c1[O-]	206031617	166207292	/nfs/dbraw/zinc/20/72/92/166207292.db2.gz	BRRPLYRVVPLYFT-UHFFFAOYSA-N	-1	3	179.219	1.316	10	30		ADEEHM
C=CCc1c(C)nc(NCC)[n-]c1=O	58824070	166207297	/nfs/dbraw/zinc/20/72/97/166207297.db2.gz	RSUDLMMZSBQJDW-UHFFFAOYSA-N	-1	3	193.250	1.239	10	30		ADEEHM
C=CCc1ncccc1[O-]	72231358	166208498	/nfs/dbraw/zinc/20/84/98/166208498.db2.gz	UBLVZSDOINBVQV-UHFFFAOYSA-N	-1	3	135.166	1.516	10	30		ADEEHM
C=CCn1ccc(=O)[n-]c1=S	39409593	166208665	/nfs/dbraw/zinc/20/86/65/166208665.db2.gz	FSHZGWAEDFTEAZ-UHFFFAOYSA-N	-1	3	168.221	1.092	10	30		ADEEHM
C=C[C@@H]1NCCc2c1ccc(F)c2[O-]	75795643	166215653	/nfs/dbraw/zinc/21/56/53/166215653.db2.gz	CQPIYJQNNAVUDC-JTQLQIEISA-N	-1	3	193.221	1.904	10	30		ADEEHM
C=C[C@@H]1NCCc2c(F)cc([O-])cc21	75741697	166215931	/nfs/dbraw/zinc/21/59/31/166215931.db2.gz	AIKFEYMPMWUHNZ-NSHDSACASA-N	-1	3	193.221	1.904	10	30		ADEEHM
C=C[C@@H]1NCCc2ccc([O-])c(F)c21	75644913	166216068	/nfs/dbraw/zinc/21/60/68/166216068.db2.gz	DBKIZFMBPANSMW-QMMMGPOBSA-N	-1	3	193.221	1.904	10	30		ADEEHM
C=C[C@@H]1NCCc2cc(F)c([O-])cc21	75644918	166216080	/nfs/dbraw/zinc/21/60/80/166216080.db2.gz	OJBQXFXVDURNHA-JTQLQIEISA-N	-1	3	193.221	1.904	10	30		ADEEHM
C=C[C@H]1NCCc2ccc([O-])c(F)c21	75644911	166220405	/nfs/dbraw/zinc/22/04/05/166220405.db2.gz	DBKIZFMBPANSMW-MRVPVSSYSA-N	-1	3	193.221	1.904	10	30		ADEEHM
C=C[C@H]1NCCc2cc(F)c([O-])cc21	75644916	166220620	/nfs/dbraw/zinc/22/06/20/166220620.db2.gz	OJBQXFXVDURNHA-SNVBAGLBSA-N	-1	3	193.221	1.904	10	30		ADEEHM
C=C[C@H]1NCCc2c1ccc(F)c2[O-]	75795641	166221014	/nfs/dbraw/zinc/22/10/14/166221014.db2.gz	CQPIYJQNNAVUDC-SNVBAGLBSA-N	-1	3	193.221	1.904	10	30		ADEEHM
C=C[C@H]1NCCc2c(F)cc([O-])cc21	75741696	166221064	/nfs/dbraw/zinc/22/10/64/166221064.db2.gz	AIKFEYMPMWUHNZ-LLVKDONJSA-N	-1	3	193.221	1.904	10	30		ADEEHM
CC(=N[O-])c1ccc2c(c1)OCO2	252369910	166230149	/nfs/dbraw/zinc/23/01/49/166230149.db2.gz	BDSUJNDSNUKNAU-UHFFFAOYSA-N	-1	3	179.175	1.614	10	30		ADEEHM
CC(=N[O-])c1ccc(C)o1	252369952	166230418	/nfs/dbraw/zinc/23/04/18/166230418.db2.gz	HZNJITMIJAXIJG-UHFFFAOYSA-N	-1	3	139.154	1.786	10	30		ADEEHM
CC(=N[O-])c1cncc(F)c1	255972352	166230483	/nfs/dbraw/zinc/23/04/83/166230483.db2.gz	FQHVUPYZRCPUCT-UHFFFAOYSA-N	-1	3	154.144	1.419	10	30		ADEEHM
CC(C=N[O-])N=Nc1ccccc1	167221	166231160	/nfs/dbraw/zinc/23/11/60/166231160.db2.gz	KZGITHRMSUWQHM-AMMQDNIMSA-N	-1	3	177.207	1.934	10	30		ADEEHM
CC(=N\O)/C(=N/[O-])c1ccc(F)cc1	43465271	166231216	/nfs/dbraw/zinc/23/12/16/166231216.db2.gz	DUHAPHNQVYMTBZ-ZCFQIZGPSA-N	-1	3	196.181	1.854	10	30		ADEEHM
CC(=N[O-])c1cc2c(cc1N)OCO2	242701919	166231295	/nfs/dbraw/zinc/23/12/95/166231295.db2.gz	WSEMYTWGFFNSBF-UHFFFAOYSA-N	-1	3	194.190	1.196	10	30		ADEEHM
CC(=O)C(Br)=C[O-]	100220964	166231719	/nfs/dbraw/zinc/23/17/19/166231719.db2.gz	RXXQKTSOBMGARS-RQOWECAXSA-N	-1	3	164.986	1.370	10	30		ADEEHM
CC([O-])=C(Br)C=O	100220964	166231721	/nfs/dbraw/zinc/23/17/21/166231721.db2.gz	RXXQKTSOBMGARS-RQOWECAXSA-N	-1	3	164.986	1.370	10	30		ADEEHM
CC(=O)C(F)=C(C)[O-]	100216955	166232499	/nfs/dbraw/zinc/23/24/99/166232499.db2.gz	SSUWOGKUDXLKMM-HWKANZROSA-N	-1	3	118.107	1.334	10	30		ADEEHM
CC(=O)N([O-])Cc1ccccc1	5496985	166254655	/nfs/dbraw/zinc/25/46/55/166254655.db2.gz	AXLWZCHBAVVXRU-UHFFFAOYSA-N	-1	3	165.192	1.424	10	30		ADEEHM
CC(=O)N([O-])C1CCCCC1	17125592	166255480	/nfs/dbraw/zinc/25/54/80/166255480.db2.gz	IFABDGRTJZLSBR-UHFFFAOYSA-N	-1	3	157.213	1.557	10	30		ADEEHM
CC(=O)N([O-])CCc1ccccc1	28219908	166255568	/nfs/dbraw/zinc/25/55/68/166255568.db2.gz	HMPMPDUKHGMZEE-UHFFFAOYSA-N	-1	3	179.219	1.467	10	30		ADEEHM
CC(=O)[N-]Oc1ccc(C#N)c(F)c1	71864438	166278008	/nfs/dbraw/zinc/27/80/08/166278008.db2.gz	YYHDQUMDGPRMBZ-UHFFFAOYSA-N	-1	3	194.165	1.127	10	30		ADEEHM
CC(=O)O/N=C(\C)c1sccc1[O-]	34160724	166287498	/nfs/dbraw/zinc/28/74/98/166287498.db2.gz	NOMSBIPJWNBLSO-WEVVVXLNSA-N	-1	3	199.231	1.741	10	30		ADEEHM
CC(=O)O/N=C/c1ccc([O-])cc1	40614189	166287546	/nfs/dbraw/zinc/28/75/46/166287546.db2.gz	IKBISPGUVZVUTN-UXBLZVDNSA-N	-1	3	179.175	1.289	10	30		ADEEHM
CC(=O)O/N=C/c1ccccc1[O-]	256162836	166287645	/nfs/dbraw/zinc/28/76/45/166287645.db2.gz	BXYPRSBOYXTUAW-UXBLZVDNSA-N	-1	3	179.175	1.289	10	30		ADEEHM
CC(=O)c1cc(C#N)cc(N)c1[O-]	75566095	166317768	/nfs/dbraw/zinc/31/77/68/166317768.db2.gz	KRKCIYGDMZMZNH-UHFFFAOYSA-N	-1	3	176.175	1.049	10	30		ADEEHM
CC(C)(C)C(=O)OC[S-]	36533214	166345914	/nfs/dbraw/zinc/34/59/14/166345914.db2.gz	AGLZSOMCJPHCJV-UHFFFAOYSA-N	-1	3	148.227	1.463	10	30		ADEEHM
CC(C)(C)Nc1nc(C#N)c(C#N)[n-]1	22000688	166368311	/nfs/dbraw/zinc/36/83/11/166368311.db2.gz	HDZJHYYIFMLKIM-UHFFFAOYSA-N	-1	3	189.222	1.363	10	30		ADEEHM
CC(C)(C)c1nc(C#N)c(C#N)[n-]1	62718611	166385509	/nfs/dbraw/zinc/38/55/09/166385509.db2.gz	YMJHLCBHSZPGRY-UHFFFAOYSA-N	-1	3	174.207	1.451	10	30		ADEEHM
CCCc1nc2c([n-]1)C(=O)C=CC2=O	95932616	167113351	/nfs/dbraw/zinc/11/33/51/167113351.db2.gz	NPLOAOBWSWGMMZ-UHFFFAOYSA-N	-1	3	190.202	1.297	10	30		ADEEHM
CCN(CC)c1ncc(/C=N/[O-])s1	100190677	167176260	/nfs/dbraw/zinc/17/62/60/167176260.db2.gz	KEYKOWUHUZYIAS-UXBLZVDNSA-N	-1	3	199.279	1.797	10	30		ADEEHM
CCN(CCC#N)[C@@H](C(=O)[O-])C(C)C	42450847	167178838	/nfs/dbraw/zinc/17/88/38/167178838.db2.gz	DGUODQYATIOLIH-SECBINFHSA-N	-1	3	198.266	1.331	10	30		ADEEHM
CCN(CCC#N)[C@H](C(=O)[O-])C(C)C	42450845	167179052	/nfs/dbraw/zinc/17/90/52/167179052.db2.gz	DGUODQYATIOLIH-VIFPVBQESA-N	-1	3	198.266	1.331	10	30		ADEEHM
CCN(C[C@@H](C)C#N)[C@@H](C)CC(=O)[O-]	42447537	167187603	/nfs/dbraw/zinc/18/76/03/167187603.db2.gz	VXIWLMMPTLCVNA-IUCAKERBSA-N	-1	3	198.266	1.331	10	30		ADEEHM
CCN(C[C@@H](C)C#N)C[C@@H](C)C(=O)[O-]	42447545	167189258	/nfs/dbraw/zinc/18/92/58/167189258.db2.gz	YQLVQJMGLKBHBI-DTWKUNHWSA-N	-1	3	198.266	1.189	10	30		ADEEHM
CCN(C[C@H](C)C#N)C[C@@H](C)C(=O)[O-]	42447547	167192516	/nfs/dbraw/zinc/19/25/16/167192516.db2.gz	YQLVQJMGLKBHBI-RKDXNWHRSA-N	-1	3	198.266	1.189	10	30		ADEEHM
CCN(C[C@H](C)C#N)[C@@H](C)CC(=O)[O-]	42447539	167192932	/nfs/dbraw/zinc/19/29/32/167192932.db2.gz	VXIWLMMPTLCVNA-BDAKNGLRSA-N	-1	3	198.266	1.331	10	30		ADEEHM
CCOC(=O)c1cc(C#N)ccc1[O-]	75580026	167368662	/nfs/dbraw/zinc/36/86/62/167368662.db2.gz	FMPXYNHVTVLFLD-UHFFFAOYSA-N	-1	3	191.186	1.441	10	30		ADEEHM
CCOC(=O)c1cn[n-]c1N=[N+]=[N-]	145019808	167374001	/nfs/dbraw/zinc/37/40/01/167374001.db2.gz	FSJHWJVEYJIYBP-UHFFFAOYSA-N	-1	3	181.155	1.528	10	30		ADEEHM
CCOC(=O)c1c[n-]nc1N=[N+]=[N-]	145019808	167374004	/nfs/dbraw/zinc/37/40/04/167374004.db2.gz	FSJHWJVEYJIYBP-UHFFFAOYSA-N	-1	3	181.155	1.528	10	30		ADEEHM
CCOc1cc(/C=N\[O-])ccc1OC	100225317	167411924	/nfs/dbraw/zinc/41/19/24/167411924.db2.gz	FVYXOGUMKIMTAT-XFFZJAGNSA-N	-1	3	195.218	1.902	10	30		ADEEHM
CCc1cccc(C#N)c1[O-]	95711262	167747699	/nfs/dbraw/zinc/74/76/99/167747699.db2.gz	TUCUNAMDBMNENP-UHFFFAOYSA-N	-1	3	147.177	1.826	10	30		ADEEHM
CN/N=C/c1cc(Cl)ccc1[O-]	76261883	167894565	/nfs/dbraw/zinc/89/45/65/167894565.db2.gz	NIGIFFLSAIPVDK-VZUCSPMQSA-N	-1	3	184.626	1.599	10	30		ADEEHM
CNc1cc([O-])ccc1C#N	95722891	168065600	/nfs/dbraw/zinc/06/56/00/168065600.db2.gz	GPRDVJSARUONOO-UHFFFAOYSA-N	-1	3	148.165	1.306	10	30		ADEEHM
CNc1cc([O-])cc(C#N)c1	95712604	168065777	/nfs/dbraw/zinc/06/57/77/168065777.db2.gz	YFWPQXIWMXOXBC-UHFFFAOYSA-N	-1	3	148.165	1.306	10	30		ADEEHM
CO/N=C1\SC[C@@H](/C=N/[O-])S1	5510589	168075534	/nfs/dbraw/zinc/07/55/34/168075534.db2.gz	OHZMPBVLLJVTLJ-RTKRZQBRSA-N	-1	3	192.265	1.212	10	30		ADEEHM
CO/N=C1\SC[C@H](/C=N/[O-])S1	5510588	168075634	/nfs/dbraw/zinc/07/56/34/168075634.db2.gz	OHZMPBVLLJVTLJ-AXJRGMBXSA-N	-1	3	192.265	1.212	10	30		ADEEHM
CO/N=C/CSc1ncccc1[O-]	39117273	168075902	/nfs/dbraw/zinc/07/59/02/168075902.db2.gz	YCWGKFBXLAZHMS-BJMVGYQFSA-N	-1	3	198.247	1.512	10	30		ADEEHM
COc1scc([O-])c1Cl	196337042	168144959	/nfs/dbraw/zinc/14/49/59/168144959.db2.gz	KWZSSJWHNPZJFU-UHFFFAOYSA-N	-1	3	164.613	1.357	10	30		ADEEHM
COCOc1c([O-])csc1C#N	39090250	168179228	/nfs/dbraw/zinc/17/92/28/168179228.db2.gz	IVOFRWZOJKBXTE-UHFFFAOYSA-N	-1	3	185.204	1.308	10	30		ADEEHM
COc1cc(C)c(C#N)c([O-])c1	34479025	168228549	/nfs/dbraw/zinc/22/85/49/168228549.db2.gz	DUSVZXZLSADJAA-UHFFFAOYSA-N	-1	3	163.176	1.581	10	30		ADEEHM
COc1cc(Cl)cc(C#N)c1[O-]	2767117	168233689	/nfs/dbraw/zinc/23/36/89/168233689.db2.gz	SKEMPQJVAAWTQD-UHFFFAOYSA-N	-1	3	183.594	1.926	10	30		ADEEHM
COc1ccc(/C=N\[O-])cc1O	15085397	168243816	/nfs/dbraw/zinc/24/38/16/168243816.db2.gz	OFECAPSGCJMTFT-UITAMQMPSA-N	-1	3	167.164	1.209	10	30		ADEEHM
COc1ccc(/C=N/[O-])s1	39294396	168243910	/nfs/dbraw/zinc/24/39/10/168243910.db2.gz	BHYJETZBLOXZAK-QPJJXVBHSA-N	-1	3	157.194	1.565	10	30		ADEEHM
COc1ccc(/C=N/[O-])c(C)c1OC	17419272	168244135	/nfs/dbraw/zinc/24/41/35/168244135.db2.gz	QINXYKCGVWIDOM-IZZDOVSWSA-N	-1	3	195.218	1.820	10	30		ADEEHM
COc1ccc(C#N)c(OC)c1[O-]	75569009	168244295	/nfs/dbraw/zinc/24/42/95/168244295.db2.gz	NOCPTJFJTAEGHY-UHFFFAOYSA-N	-1	3	179.175	1.281	10	30		ADEEHM
COc1ccc(C#N)c(F)c1[O-]	39125780	168244592	/nfs/dbraw/zinc/24/45/92/168244592.db2.gz	FKBZHXRWRUFAQA-UHFFFAOYSA-N	-1	3	167.139	1.412	10	30		ADEEHM
COc1ccc(C(C)=N[O-])cc1	242722864	168245874	/nfs/dbraw/zinc/24/58/74/168245874.db2.gz	XXOHMWCSTKXDLH-UHFFFAOYSA-N	-1	3	165.192	1.893	10	30		ADEEHM
COc1ccc(C=N[O-])cc1F	242548413	168247242	/nfs/dbraw/zinc/24/72/42/168247242.db2.gz	LJRZZXMAQHVVSC-UHFFFAOYSA-N	-1	3	169.155	1.642	10	30		ADEEHM
COc1ccc2c(c1)/C(=N/[O-])CC2	21984168	168261224	/nfs/dbraw/zinc/26/12/24/168261224.db2.gz	IBGZGCQWOXMORO-ZHACJKMWSA-N	-1	3	177.203	1.820	10	30		ADEEHM
COc1ccc2c(c1)/C(=N\[O-])CC2	100366792	168262314	/nfs/dbraw/zinc/26/23/14/168262314.db2.gz	IBGZGCQWOXMORO-KHPPLWFESA-N	-1	3	177.203	1.820	10	30		ADEEHM
COc1cccc([O-])c1C#N	13481467	168271387	/nfs/dbraw/zinc/27/13/87/168271387.db2.gz	QGYFJXQOCAMACX-UHFFFAOYSA-N	-1	3	149.149	1.272	10	30		ADEEHM
COc1cccc2c1CC/C2=N\[O-]	41199746	168273771	/nfs/dbraw/zinc/27/37/71/168273771.db2.gz	OTVSUGXVPKEVLH-PKNBQFBNSA-N	-1	3	177.203	1.820	10	30		ADEEHM
COc1cccc2c1CC(C#N)=C2[O-]	82391875	168274124	/nfs/dbraw/zinc/27/41/24/168274124.db2.gz	BRKYWCGPHHHFAN-ZETCQYMHSA-N	-1	3	187.198	1.574	10	30		ADEEHM
COc1cccc2c1CC(C#N)=C2[O-]	82391874	168274184	/nfs/dbraw/zinc/27/41/84/168274184.db2.gz	BRKYWCGPHHHFAN-SSDOTTSWSA-N	-1	3	187.198	1.574	10	30		ADEEHM
COc1nc2cccc(C#N)c2[n-]1	89195044	168284028	/nfs/dbraw/zinc/28/40/28/168284028.db2.gz	YKSZFKLIWPTMNN-UHFFFAOYSA-N	-1	3	173.175	1.443	10	30		ADEEHM
COc1nc2c(C#N)cccc2[n-]1	89195044	168284031	/nfs/dbraw/zinc/28/40/31/168284031.db2.gz	YKSZFKLIWPTMNN-UHFFFAOYSA-N	-1	3	173.175	1.443	10	30		ADEEHM
CSc1c([O-])cccc1C#N	95724474	168309082	/nfs/dbraw/zinc/30/90/82/168309082.db2.gz	HWKFCKAXGUSFOI-UHFFFAOYSA-N	-1	3	165.217	1.986	10	30		ADEEHM
CSc1cc([O-])cc(C#N)c1	95722718	168309713	/nfs/dbraw/zinc/30/97/13/168309713.db2.gz	BAPKBRGCHGWQJR-UHFFFAOYSA-N	-1	3	165.217	1.986	10	30		ADEEHM
CSc1ccc([O-])cc1C#N	95720961	168310994	/nfs/dbraw/zinc/31/09/94/168310994.db2.gz	VTHFZOSNFXYFTB-UHFFFAOYSA-N	-1	3	165.217	1.986	10	30		ADEEHM
CSc1ccc(C#N)cc1[O-]	95720349	168310998	/nfs/dbraw/zinc/31/09/98/168310998.db2.gz	XBHWYNMAPVKTMT-UHFFFAOYSA-N	-1	3	165.217	1.986	10	30		ADEEHM
CSc1ccc([O-])c(C#N)c1	147518507	168311373	/nfs/dbraw/zinc/31/13/73/168311373.db2.gz	DOJOAMVAOBHGJK-UHFFFAOYSA-N	-1	3	165.217	1.986	10	30		ADEEHM
CSc1cccc([O-])c1C#N	95721991	168312255	/nfs/dbraw/zinc/31/22/55/168312255.db2.gz	SVZSYGSJWVLYIZ-UHFFFAOYSA-N	-1	3	165.217	1.986	10	30		ADEEHM
CSc1nc(/C=N/[O-])ccc1C#N	123632	168314459	/nfs/dbraw/zinc/31/44/59/168314459.db2.gz	GMPGRLCDLUWJOD-BJMVGYQFSA-N	-1	3	193.231	1.483	10	30		ADEEHM
CC(C#N)=C([O-])c1ccoc1	34975792	168320197	/nfs/dbraw/zinc/32/01/97/168320197.db2.gz	RJMXRICOIGFNFU-LURJTMIESA-N	-1	3	149.149	1.622	10	30		ADEEHM
C[C@@H](C#N)NC(=O)c1ccc([O-])cc1	40350417	168321291	/nfs/dbraw/zinc/32/12/91/168321291.db2.gz	UPEDAZKLXUZRGF-ZETCQYMHSA-N	-1	3	190.202	1.034	10	30		ADEEHM
C[C@@H](C#N)NC(=O)c1cccc([O-])c1	40350464	168322092	/nfs/dbraw/zinc/32/20/92/168322092.db2.gz	DLHFUZHTXHCDCN-ZETCQYMHSA-N	-1	3	190.202	1.034	10	30		ADEEHM
C[C@@H](O)c1ccc(/C=N/[O-])cc1	39071707	168399666	/nfs/dbraw/zinc/39/96/66/168399666.db2.gz	FQVRFXRMZTVRKK-VSUWBIFXSA-N	-1	3	165.192	1.548	10	30		ADEEHM
C[C@@H](O)c1ccc(/C=N\[O-])cc1	100221485	168399987	/nfs/dbraw/zinc/39/99/87/168399987.db2.gz	FQVRFXRMZTVRKK-LWYMYGMPSA-N	-1	3	165.192	1.548	10	30		ADEEHM
C[C@H](Oc1ccccc1F)/C(N)=N/[O-]	43516451	168587958	/nfs/dbraw/zinc/58/79/58/168587958.db2.gz	GFFLHTUGLXLYJK-LURJTMIESA-N	-1	3	198.197	1.339	10	30		ADEEHM
Cc1ccc(C)c(C#N)c1[O-]	71462797	168804573	/nfs/dbraw/zinc/80/45/73/168804573.db2.gz	XZUREQMMPXTCGT-UHFFFAOYSA-N	-1	3	147.177	1.881	10	30		ADEEHM
Cc1ccc2c(c1)CC(=O)N2[O-]	39133637	168848471	/nfs/dbraw/zinc/84/84/71/168848471.db2.gz	UKOHDLVWPXYVPV-UHFFFAOYSA-N	-1	3	163.176	1.273	10	30		ADEEHM
Cn1c(C#N)nc2cc([O-])ccc21	75847135	169030569	/nfs/dbraw/zinc/03/05/69/169030569.db2.gz	RKSWDOWVAWQONV-UHFFFAOYSA-N	-1	3	173.175	1.151	10	30		ADEEHM
Cn1c(C#N)nc2ccc([O-])cc21	75847137	169031831	/nfs/dbraw/zinc/03/18/31/169031831.db2.gz	HXNRVUDGKNZBKQ-UHFFFAOYSA-N	-1	3	173.175	1.151	10	30		ADEEHM
COc1ccc(C#N)c([O-])c1OC	136275351	343978991	/nfs/dbraw/zinc/97/89/91/343978991.db2.gz	NPRKAMYILKIBFT-UHFFFAOYSA-N	-1	3	179.175	1.281	10	30		ADEEHM
N#CC[C@@H]1NCCc2cccc([O-])c21	83660414	169099930	/nfs/dbraw/zinc/09/99/30/169099930.db2.gz	GPIUBSDTUCXCCJ-VIFPVBQESA-N	-1	3	188.230	1.493	10	30		ADEEHM
N#CC[C@H]1C(=O)Nc2cccc([O-])c21	13462248	169102067	/nfs/dbraw/zinc/10/20/67/169102067.db2.gz	KJLUDHCNWCIINR-ZCFIWIBFSA-N	-1	3	188.186	1.342	10	30		ADEEHM
N#CCc1cc([O-])c(O)c(F)c1	34133341	169102196	/nfs/dbraw/zinc/10/21/96/169102196.db2.gz	DIRVCCSWUIVMNS-UHFFFAOYSA-N	-1	3	167.139	1.303	10	30		ADEEHM
N#CCc1cc(O)c([O-])c(F)c1	34133341	169102200	/nfs/dbraw/zinc/10/22/00/169102200.db2.gz	DIRVCCSWUIVMNS-UHFFFAOYSA-N	-1	3	167.139	1.303	10	30		ADEEHM
N#CCc1cc(F)ccc1[O-]	34179364	169102577	/nfs/dbraw/zinc/10/25/77/169102577.db2.gz	ULCSFSHZEMJLOH-UHFFFAOYSA-N	-1	3	151.140	1.597	10	30		ADEEHM
N#CCc1ccc(C#N)cc1[O-]	39060163	169102652	/nfs/dbraw/zinc/10/26/52/169102652.db2.gz	XJMWPVOVIUETLM-UHFFFAOYSA-N	-1	3	158.160	1.330	10	30		ADEEHM
N#CC[C@H]1NCCc2cccc([O-])c21	83660415	169102812	/nfs/dbraw/zinc/10/28/12/169102812.db2.gz	GPIUBSDTUCXCCJ-SECBINFHSA-N	-1	3	188.230	1.493	10	30		ADEEHM
N#CCc1n[n-]c(-c2ccco2)n1	53994818	169103911	/nfs/dbraw/zinc/10/39/11/169103911.db2.gz	AJATVIYMZGZSKV-UHFFFAOYSA-N	-1	3	174.163	1.131	10	30		ADEEHM
N#CCc1nnc(-c2ccco2)[n-]1	53994818	169103913	/nfs/dbraw/zinc/10/39/13/169103913.db2.gz	AJATVIYMZGZSKV-UHFFFAOYSA-N	-1	3	174.163	1.131	10	30		ADEEHM
N#CCc1nc(-c2ccco2)n[n-]1	53994818	169103915	/nfs/dbraw/zinc/10/39/15/169103915.db2.gz	AJATVIYMZGZSKV-UHFFFAOYSA-N	-1	3	174.163	1.131	10	30		ADEEHM
N#CCc1ccc(F)c([O-])c1	39125650	169104185	/nfs/dbraw/zinc/10/41/85/169104185.db2.gz	NOEOCRHXSZYOBD-UHFFFAOYSA-N	-1	3	151.140	1.597	10	30		ADEEHM
N#CCc1cccc(F)c1[O-]	83593304	169104842	/nfs/dbraw/zinc/10/48/42/169104842.db2.gz	BBJZKLLKJJWNPN-UHFFFAOYSA-N	-1	3	151.140	1.597	10	30		ADEEHM
N#CCc1noc2cc([O-])ccc12	75564136	169105634	/nfs/dbraw/zinc/10/56/34/169105634.db2.gz	FUSGLSHRDRXPQR-UHFFFAOYSA-N	-1	3	174.159	1.599	10	30		ADEEHM
N#CC1=C([O-])c2ccccc2C1	19877915	169109934	/nfs/dbraw/zinc/10/99/34/169109934.db2.gz	FUKLRRTYUZRVBS-QMMMGPOBSA-N	-1	3	157.172	1.565	10	30		ADEEHM
N#CC1=C([O-])c2ccccc2C1	19877914	169113383	/nfs/dbraw/zinc/11/33/83/169113383.db2.gz	FUKLRRTYUZRVBS-MRVPVSSYSA-N	-1	3	157.172	1.565	10	30		ADEEHM
N#Cc1nnc2ccc(Cl)[n-]c1-2	89219802	169114240	/nfs/dbraw/zinc/11/42/40/169114240.db2.gz	UIVBENMXSPLYIA-UHFFFAOYSA-N	-1	3	178.582	1.483	10	30		ADEEHM
N#Cc1[n-]nc2ccc(Cl)nc12	89219802	169114241	/nfs/dbraw/zinc/11/42/41/169114241.db2.gz	UIVBENMXSPLYIA-UHFFFAOYSA-N	-1	3	178.582	1.483	10	30		ADEEHM
N#Cc1n[n-]c2ccc(Cl)nc12	89219802	169114243	/nfs/dbraw/zinc/11/42/43/169114243.db2.gz	UIVBENMXSPLYIA-UHFFFAOYSA-N	-1	3	178.582	1.483	10	30		ADEEHM
N#Cc1c2cccccc-2[n-]c1=O	34179594	169116052	/nfs/dbraw/zinc/11/60/52/169116052.db2.gz	OSDCMRIMJQMSNC-UHFFFAOYSA-N	-1	3	170.171	1.351	10	30		ADEEHM
N#Cc1cc(F)cc(O)c1[O-]	39059453	169117113	/nfs/dbraw/zinc/11/71/13/169117113.db2.gz	RRXPFYZZDSSLRH-UHFFFAOYSA-N	-1	3	153.112	1.109	10	30		ADEEHM
N#Cc1cc2c(cc1[O-])CCC2	39060309	169117830	/nfs/dbraw/zinc/11/78/30/169117830.db2.gz	QTMGRCVNYWUHTR-UHFFFAOYSA-N	-1	3	159.188	1.753	10	30		ADEEHM
N#Cc1cc2c([O-])cccc2[nH]1	2546333	169117977	/nfs/dbraw/zinc/11/79/77/169117977.db2.gz	HKKCHULRVUXUBK-UHFFFAOYSA-N	-1	3	158.160	1.745	10	30		ADEEHM
N#Cc1cc([O-])c(F)cc1O	39088549	169118074	/nfs/dbraw/zinc/11/80/74/169118074.db2.gz	QGJKLQZCWUGYES-UHFFFAOYSA-N	-1	3	153.112	1.109	10	30		ADEEHM
N#Cc1cc2cc([O-])ccc2oc1=O	34427600	169118727	/nfs/dbraw/zinc/11/87/27/169118727.db2.gz	MXHYOUVIYFROFS-UHFFFAOYSA-N	-1	3	187.154	1.370	10	30		ADEEHM
N#Cc1cc([O-])c(N)c2ccccc12	5162792	169119093	/nfs/dbraw/zinc/11/90/93/169119093.db2.gz	BKJNOOATZWQVDU-UHFFFAOYSA-N	-1	3	184.198	1.999	10	30		ADEEHM
N#Cc1cc([O-])cs1	90711785	169119102	/nfs/dbraw/zinc/11/91/02/169119102.db2.gz	PTURADCSNRZMSC-UHFFFAOYSA-N	-1	3	125.152	1.325	10	30		ADEEHM
N#Cc1ccc(-c2ccc([O-])cn2)nc1	72204363	169119464	/nfs/dbraw/zinc/11/94/64/169119464.db2.gz	AQAACSIHEWDAJJ-UHFFFAOYSA-N	-1	3	197.197	1.721	10	30		ADEEHM
N#Cc1ccc(-c2nnc(C=O)[n-]2)cc1	95756784	169119620	/nfs/dbraw/zinc/11/96/20/169119620.db2.gz	NNAHDVVOVHIQJM-UHFFFAOYSA-N	-1	3	198.185	1.156	10	30		ADEEHM
N#Cc1ccc(-c2n[n-]c(C=O)n2)cc1	95756784	169119621	/nfs/dbraw/zinc/11/96/21/169119621.db2.gz	NNAHDVVOVHIQJM-UHFFFAOYSA-N	-1	3	198.185	1.156	10	30		ADEEHM
N#Cc1ccc(-c2nc(C=O)n[n-]2)cc1	95756784	169119623	/nfs/dbraw/zinc/11/96/23/169119623.db2.gz	NNAHDVVOVHIQJM-UHFFFAOYSA-N	-1	3	198.185	1.156	10	30		ADEEHM
N#Cc1ccc(F)c([O-])c1O	39088550	169122148	/nfs/dbraw/zinc/12/21/48/169122148.db2.gz	JLPFNWOPTVOKLF-UHFFFAOYSA-N	-1	3	153.112	1.109	10	30		ADEEHM
N#Cc1ccc([O-])c(OC2CC2)c1	34582974	169122688	/nfs/dbraw/zinc/12/26/88/169122688.db2.gz	OFMNFPPKAMPMGL-UHFFFAOYSA-N	-1	3	175.187	1.805	10	30		ADEEHM
N#Cc1ccnc2ccc([O-])cc12	83271403	169127732	/nfs/dbraw/zinc/12/77/32/169127732.db2.gz	OFZFESPMDBCCMF-UHFFFAOYSA-N	-1	3	170.171	1.812	10	30		ADEEHM
N#Cc1c[n-]c(Cl)cc1=O	261008055	169128799	/nfs/dbraw/zinc/12/87/99/169128799.db2.gz	VJECLMLHTDAGJP-UHFFFAOYSA-N	-1	3	154.556	1.312	10	30		ADEEHM
N#Cc1cnc2c([O-])cccc2c1	83271399	169128828	/nfs/dbraw/zinc/12/88/28/169128828.db2.gz	VLLFYOYDKWLQHN-UHFFFAOYSA-N	-1	3	170.171	1.812	10	30		ADEEHM
Nc1cccc(/C=N/[O-])c1	100141285	169296106	/nfs/dbraw/zinc/29/61/06/169296106.db2.gz	BAIFPWUZMRFFFX-WEVVVXLNSA-N	-1	3	136.154	1.077	10	30		ADEEHM
[O-]/N=C/c1cnn(C(F)F)c1	40544251	169313997	/nfs/dbraw/zinc/31/39/97/169313997.db2.gz	OZXJWNLRFDPTPE-XNWCZRBMSA-N	-1	3	161.111	1.086	10	30		ADEEHM
[O-]/N=C/c1ccc2cnccc2n1	1503361	169314018	/nfs/dbraw/zinc/31/40/18/169314018.db2.gz	WRWLAVSZTNYKQC-IZZDOVSWSA-N	-1	3	173.175	1.438	10	30		ADEEHM
[O-]/N=C/c1ccc2c(c1)OCCCO2	61940281	169314060	/nfs/dbraw/zinc/31/40/60/169314060.db2.gz	BNTHYTFXHBHPKI-YRNVUSSQSA-N	-1	3	193.202	1.656	10	30		ADEEHM
[O-]/N=C\c1ccnc(F)c1	39050471	169315135	/nfs/dbraw/zinc/31/51/35/169315135.db2.gz	BPDUWKJMHHBJST-WTKPLQERSA-N	-1	3	140.117	1.029	10	30		ADEEHM
[O-]/N=C\c1ccc(Cl)nc1	100521386	169315196	/nfs/dbraw/zinc/31/51/96/169315196.db2.gz	SKZOLHQUVBPRFV-WTKPLQERSA-N	-1	3	156.572	1.543	10	30		ADEEHM
[O-]/N=C\c1cccc(O)c1	2573571	169315273	/nfs/dbraw/zinc/31/52/73/169315273.db2.gz	IIEZCGOWIADGFY-YVMONPNESA-N	-1	3	137.138	1.200	10	30		ADEEHM
[O-]/N=C\c1ccoc1	100242938	169315345	/nfs/dbraw/zinc/31/53/45/169315345.db2.gz	QJNJBSOMPGENRN-UTCJRWHESA-N	-1	3	111.100	1.088	10	30		ADEEHM
[O-]/N=C\c1cccnc1Cl	167749	169315393	/nfs/dbraw/zinc/31/53/93/169315393.db2.gz	LBOKKAFTDCGWBJ-WTKPLQERSA-N	-1	3	156.572	1.543	10	30		ADEEHM
[O-]/N=C1C(=N/O)/CCc2ccccc2/1	102462251	169315557	/nfs/dbraw/zinc/31/55/57/169315557.db2.gz	SEQLOHNTZITNBC-WGDLNXRISA-N	-1	3	190.202	1.641	10	30		ADEEHM
O=C(C/C=N/[O-])Nc1ccccc1	100468569	169316006	/nfs/dbraw/zinc/31/60/06/169316006.db2.gz	KWMPENLNKRBVDP-JXMROGBWSA-N	-1	3	178.191	1.475	10	30		ADEEHM
O=C(C[C@@H]1C[C@H]2CC[C@@H]1C2)N[O-]	19482119	169322236	/nfs/dbraw/zinc/32/22/36/169322236.db2.gz	BPOHMZZQEIBDOQ-RNJXMRFFSA-N	-1	3	169.224	1.318	10	30		ADEEHM
O=C(C[C@H]1C[C@H]2CC[C@@H]1C2)N[O-]	19482121	169322963	/nfs/dbraw/zinc/32/29/63/169322963.db2.gz	BPOHMZZQEIBDOQ-XLPZGREQSA-N	-1	3	169.224	1.318	10	30		ADEEHM
O=C(N[O-])[C@H]1C[C@H]1c1ccccc1	103251606	169331235	/nfs/dbraw/zinc/33/12/35/169331235.db2.gz	QCZUQSWZNXVMLT-IUCAKERBSA-N	-1	3	177.203	1.296	10	30		ADEEHM
O=C(N[O-])[C@H]1C[C@@H]1c1ccccc1	103251608	169331459	/nfs/dbraw/zinc/33/14/59/169331459.db2.gz	QCZUQSWZNXVMLT-BDAKNGLRSA-N	-1	3	177.203	1.296	10	30		ADEEHM
O=C([N-]O)c1ccc(F)c(F)c1F	41205139	169331542	/nfs/dbraw/zinc/33/15/42/169331542.db2.gz	CVEMONQNZVEIPN-UHFFFAOYSA-N	-1	3	191.108	1.223	10	30		ADEEHM
O=C([N-]O)c1c(F)cc(F)cc1F	75898814	169331720	/nfs/dbraw/zinc/33/17/20/169331720.db2.gz	LPLWUWYBHWSKLQ-UHFFFAOYSA-N	-1	3	191.108	1.223	10	30		ADEEHM
O=C1C(=C[O-])Nc2ccccc21	39115806	169365460	/nfs/dbraw/zinc/36/54/60/169365460.db2.gz	NIQUKJVDCDRENO-VMPITWQZSA-N	-1	3	161.160	1.694	10	30		ADEEHM
O=C1C/C(=N/[O-])c2ccccc21	110148295	169365888	/nfs/dbraw/zinc/36/58/88/169365888.db2.gz	GEKYAOGASHLKQD-NTMALXAHSA-N	-1	3	161.160	1.451	10	30		ADEEHM
O=C1C(=N[O-])C=Cc2ccccc21	255004296	169366067	/nfs/dbraw/zinc/36/60/67/169366067.db2.gz	YEXILJQLXICIPV-UHFFFAOYSA-N	-1	3	173.171	1.726	10	30		ADEEHM
O=C1C=C([O-])C(Cl)=CCC1	39129045	169369319	/nfs/dbraw/zinc/36/93/19/169369319.db2.gz	AZRLJTGQLUXWIY-UHFFFAOYSA-N	-1	3	158.584	1.431	10	30		ADEEHM
O=C1c2ccccc2CN1[O-]	32189931	169393494	/nfs/dbraw/zinc/39/34/94/169393494.db2.gz	DGEVLCWYWVEVAC-UHFFFAOYSA-N	-1	3	149.149	1.032	10	30		ADEEHM
C[C@@H](O)/C(=N/[O-])c1ccccc1	140906788	344002681	/nfs/dbraw/zinc/00/26/81/344002681.db2.gz	DSLXSOONLYUGST-BFUDMSGGSA-N	-1	3	165.192	1.246	10	30		ADEEHM
O=C1C=Cc2ccc([O-])cc2C1=O	1702579	171001372	/nfs/dbraw/zinc/00/13/72/171001372.db2.gz	RFQKUQIIZPRDKD-UHFFFAOYSA-N	-1	3	174.155	1.171	10	30		ADEEHM
CC(=O)Nc1ccccc1/C(C)=N/[O-]	13346353	171026521	/nfs/dbraw/zinc/02/65/21/171026521.db2.gz	UOGFJUFIWQTMCM-KPKJPENVSA-N	-1	3	192.218	1.843	10	30		ADEEHM
O=C1C=Cc2ccc([O-])cc21	21299806	171040601	/nfs/dbraw/zinc/04/06/01/171040601.db2.gz	DCQPPDUQIFGFLO-UHFFFAOYSA-N	-1	3	146.145	1.602	10	30		ADEEHM
[O-]c1ccc(Cl)cc1/C=N/CCO	28709170	171047750	/nfs/dbraw/zinc/04/77/50/171047750.db2.gz	DRWAJMXWWLLMCR-IZZDOVSWSA-N	-1	3	199.637	1.457	10	30		ADEEHM
N#CCCC(=O)c1cccc([O-])c1	31994143	171049495	/nfs/dbraw/zinc/04/94/95/171049495.db2.gz	MKGRJFGWCBQJST-UHFFFAOYSA-N	-1	3	175.187	1.879	10	30		ADEEHM
O=C1C=Cc2c([O-])cccc2C1=O	34144186	171053012	/nfs/dbraw/zinc/05/30/12/171053012.db2.gz	ZVTUGVWVPIYMJR-UHFFFAOYSA-N	-1	3	174.155	1.171	10	30		ADEEHM
N#CCCN[C@H]1CCC[C@H](C(=O)[O-])C1	70501783	171062883	/nfs/dbraw/zinc/06/28/83/171062883.db2.gz	DVHIMBMMZDFJJK-IUCAKERBSA-N	-1	3	196.250	1.133	10	30		ADEEHM
N#CCCN[C@@H]1CCC[C@@H](C(=O)[O-])C1	70501781	171063223	/nfs/dbraw/zinc/06/32/23/171063223.db2.gz	DVHIMBMMZDFJJK-RKDXNWHRSA-N	-1	3	196.250	1.133	10	30		ADEEHM
N#CCCN[C@H]1CCC[C@@H](C(=O)[O-])C1	70501784	171063254	/nfs/dbraw/zinc/06/32/54/171063254.db2.gz	DVHIMBMMZDFJJK-BDAKNGLRSA-N	-1	3	196.250	1.133	10	30		ADEEHM
N#CCCN[C@@H]1CCC[C@H](C(=O)[O-])C1	70501779	171063346	/nfs/dbraw/zinc/06/33/46/171063346.db2.gz	DVHIMBMMZDFJJK-DTWKUNHWSA-N	-1	3	196.250	1.133	10	30		ADEEHM
N#Cc1cccc(-c2ccc([O-])cn2)n1	72204185	171066358	/nfs/dbraw/zinc/06/63/58/171066358.db2.gz	HKXIACDJDARRCI-UHFFFAOYSA-N	-1	3	197.197	1.721	10	30		ADEEHM
O=C1C=Cc2cccc([O-])c21	39058971	171071975	/nfs/dbraw/zinc/07/19/75/171071975.db2.gz	JHHBHSWJSJMBTQ-UHFFFAOYSA-N	-1	3	146.145	1.602	10	30		ADEEHM
N#Cc1nccc2ccc([O-])cc12	39225133	171077707	/nfs/dbraw/zinc/07/77/07/171077707.db2.gz	CLNIYSJYTYKCHW-UHFFFAOYSA-N	-1	3	170.171	1.812	10	30		ADEEHM
N#Cc1c(N)[nH]c2ccc([O-])cc12	40763242	171081620	/nfs/dbraw/zinc/08/16/20/171081620.db2.gz	FZUUDNRUULOFCB-UHFFFAOYSA-N	-1	3	173.175	1.327	10	30		ADEEHM
N/C(=N/[O-])c1ccc(Cl)c(F)c1	43388806	171087592	/nfs/dbraw/zinc/08/75/92/171087592.db2.gz	ASCQUIGPFUTFHE-UHFFFAOYSA-N	-1	3	188.589	1.574	10	30		ADEEHM
C#CCCCc1nc(C)cc(=O)[n-]1	39422952	171088773	/nfs/dbraw/zinc/08/87/73/171088773.db2.gz	MHHQLXDLBPCBHW-UHFFFAOYSA-N	-1	3	176.219	1.034	10	30		ADEEHM
C/C=C/C(=O)c1ccc([O-])c(O)c1	75568247	171113547	/nfs/dbraw/zinc/11/35/47/171113547.db2.gz	QTZHLKOCFBTHFR-NSCUHMNNSA-N	-1	3	178.187	1.857	10	30		ADEEHM
[O-]c1coc(Nc2ccccc2)c1	76600660	171118156	/nfs/dbraw/zinc/11/81/56/171118156.db2.gz	CIKGJHANSITPTA-UHFFFAOYSA-N	-1	3	175.187	1.539	10	30		ADEEHM
CN(C)c1ccc(C#N)c([O-])c1	79019712	171121141	/nfs/dbraw/zinc/12/11/41/171121141.db2.gz	VYZHAXBEOKESJF-UHFFFAOYSA-N	-1	3	162.192	1.330	10	30		ADEEHM
CNc1ccc([O-])c(C#N)c1	95724992	171137849	/nfs/dbraw/zinc/13/78/49/171137849.db2.gz	UDHCVMODKKULBR-UHFFFAOYSA-N	-1	3	148.165	1.306	10	30		ADEEHM
N#Cc1cccc(-c2nnc(C=O)[n-]2)c1	95756777	171138500	/nfs/dbraw/zinc/13/85/00/171138500.db2.gz	FLLCSBPEQKWJQS-UHFFFAOYSA-N	-1	3	198.185	1.156	10	30		ADEEHM
N#Cc1cccc(-c2n[n-]c(C=O)n2)c1	95756777	171138503	/nfs/dbraw/zinc/13/85/03/171138503.db2.gz	FLLCSBPEQKWJQS-UHFFFAOYSA-N	-1	3	198.185	1.156	10	30		ADEEHM
N#Cc1cccc(-c2nc(C=O)n[n-]2)c1	95756777	171138504	/nfs/dbraw/zinc/13/85/04/171138504.db2.gz	FLLCSBPEQKWJQS-UHFFFAOYSA-N	-1	3	198.185	1.156	10	30		ADEEHM
N#Cc1ccc2[n-]c(C=O)nc2c1	95931253	171140709	/nfs/dbraw/zinc/14/07/09/171140709.db2.gz	RVEQCSIDKNJQLM-UHFFFAOYSA-N	-1	3	171.159	1.247	10	30		ADEEHM
COc1ccccc1C(=O)N(C)[O-]	96935474	171142725	/nfs/dbraw/zinc/14/27/25/171142725.db2.gz	OUIBYXBQHNVFJX-UHFFFAOYSA-N	-1	3	181.191	1.156	10	30		ADEEHM
CC([O-])=CC(=O)c1cccnc1	100751826	171145424	/nfs/dbraw/zinc/14/54/24/171145424.db2.gz	ZBEILIOSFDQFCJ-UITAMQMPSA-N	-1	3	163.176	1.570	10	30		ADEEHM
N#CCCNCc1cccc(O)c1[O-]	41049404	171145522	/nfs/dbraw/zinc/14/55/22/171145522.db2.gz	UFZJCZQCPRXLTF-UHFFFAOYSA-N	-1	3	192.218	1.101	10	30		ADEEHM
[O-]/N=C(/Cl)c1ccncc1	111858267	171153755	/nfs/dbraw/zinc/15/37/55/171153755.db2.gz	MDPQIKOFLZQPLB-RMKNXTFCSA-N	-1	3	156.572	1.456	10	30		ADEEHM
CC#CCN[C@H](CC(C)C)C(=O)[O-]	51664412	171159743	/nfs/dbraw/zinc/15/97/43/171159743.db2.gz	RSOIRHCBPHVUDT-SECBINFHSA-N	-1	3	183.251	1.099	10	30		ADEEHM
CC([O-])=CC(=O)c1ccccn1	139602602	171159823	/nfs/dbraw/zinc/15/98/23/171159823.db2.gz	XECTXAVLTHXJRS-RMKNXTFCSA-N	-1	3	163.176	1.570	10	30		ADEEHM
CC#CCN[C@@H](CC(C)C)C(=O)[O-]	51664410	171159836	/nfs/dbraw/zinc/15/98/36/171159836.db2.gz	RSOIRHCBPHVUDT-VIFPVBQESA-N	-1	3	183.251	1.099	10	30		ADEEHM
CC#CCN(CC(=O)[O-])[C@H](C)CC	51664378	171159923	/nfs/dbraw/zinc/15/99/23/171159923.db2.gz	MRNIDSNKNPMKGX-SECBINFHSA-N	-1	3	183.251	1.195	10	30		ADEEHM
CC#CCN(CC(=O)[O-])[C@@H](C)CC	51664380	171160115	/nfs/dbraw/zinc/16/01/15/171160115.db2.gz	MRNIDSNKNPMKGX-VIFPVBQESA-N	-1	3	183.251	1.195	10	30		ADEEHM
N#CC=C([O-])c1ccnc(Cl)c1	168744935	171165535	/nfs/dbraw/zinc/16/55/35/171165535.db2.gz	DUPSIUIKQCUKTJ-UHFFFAOYSA-N	-1	3	180.594	1.831	10	30		ADEEHM
N#CCCNCc1ccc(O)cc1[O-]	20199510	171168996	/nfs/dbraw/zinc/16/89/96/171168996.db2.gz	UEEXSUZDEQMHPV-UHFFFAOYSA-N	-1	3	192.218	1.101	10	30		ADEEHM
O=C1C=C([O-])[C@@H]2[C@@H]3C=C[C@@H](C3)[C@H]12	195859554	171170135	/nfs/dbraw/zinc/17/01/35/171170135.db2.gz	FJTCWKUCNYGDQY-OFLNYADTSA-N	-1	3	162.188	1.449	10	30		ADEEHM
CC#CC(=O)[N-]C(=O)OC(C)(C)C	39094409	171175504	/nfs/dbraw/zinc/17/55/04/171175504.db2.gz	VPUGGCFSGBUHQX-UHFFFAOYSA-N	-1	3	183.207	1.061	10	30		ADEEHM
CC#Cc1ncccc1[O-]	39049106	171175571	/nfs/dbraw/zinc/17/55/71/171175571.db2.gz	HIVSSDUNFRKDPB-UHFFFAOYSA-N	-1	3	133.150	1.159	10	30		ADEEHM
N#Cc1nc2cc([O-])ccc2o1	83269372	171180154	/nfs/dbraw/zinc/18/01/54/171180154.db2.gz	FOQGBRQYFNNCBY-UHFFFAOYSA-N	-1	3	160.132	1.405	10	30		ADEEHM
N#Cc1c(N)oc2ccc([O-])cc12	64512302	171199413	/nfs/dbraw/zinc/19/94/13/171199413.db2.gz	RUCWPJYGAYGYJA-UHFFFAOYSA-N	-1	3	174.159	1.592	10	30		ADEEHM
CC(=O)Nc1cc([O-])cc(C#N)c1	79019632	171220488	/nfs/dbraw/zinc/22/04/88/171220488.db2.gz	YRPHHOLIVVVKSE-UHFFFAOYSA-N	-1	3	176.175	1.222	10	30		ADEEHM
N#Cc1nc2ccccc2n1[O-]	1607806	171220964	/nfs/dbraw/zinc/22/09/64/171220964.db2.gz	MDOGMOWHGBWSHT-UHFFFAOYSA-N	-1	3	159.148	1.145	10	30		ADEEHM
N#Cc1n[nH]nc1-c1ccc([O-])cc1	22004888	171224694	/nfs/dbraw/zinc/22/46/94/171224694.db2.gz	FIZDZWOIPSVVBE-UHFFFAOYSA-N	-1	3	186.174	1.049	10	30		ADEEHM
C=C[C@@H](C)NC(=O)c1ccc([O-])cc1	163682454	344226868	/nfs/dbraw/zinc/22/68/68/344226868.db2.gz	FUIRFRSXZFYBDD-MRVPVSSYSA-N	-1	3	191.230	1.697	10	30		ADEEHM
C=CC[C@H](C)Nc1cc(=O)[n-]c(C)n1	165908766	344272438	/nfs/dbraw/zinc/27/24/38/344272438.db2.gz	BFNKDAVCUFLTGS-ZETCQYMHSA-N	-1	3	193.250	1.867	10	30		ADEEHM
N#Cc1c[n-]c(=O)c2c1CCCC2	204004857	344368849	/nfs/dbraw/zinc/36/88/49/344368849.db2.gz	CUZPXTRMHIJHFD-UHFFFAOYSA-N	-1	3	174.203	1.125	10	30		ADEEHM
N#Cc1cc([O-])cc(OC(F)F)c1	219815847	344428476	/nfs/dbraw/zinc/42/84/76/344428476.db2.gz	LXGRWOLRKTVMEP-UHFFFAOYSA-N	-1	3	185.129	1.865	10	30		ADEEHM
C=Cc1ccc([O-])c(C#N)c1	221180075	344439148	/nfs/dbraw/zinc/43/91/48/344439148.db2.gz	IUQTYSYRLPBJFI-UHFFFAOYSA-N	-1	3	145.161	1.907	10	30		ADEEHM
C=CCNC(=O)c1ccc([O-])cc1C	230303997	344630811	/nfs/dbraw/zinc/63/08/11/344630811.db2.gz	RFSIZWYNCNHJAH-UHFFFAOYSA-N	-1	3	191.230	1.616	10	30		ADEEHM
Cc1ccc(F)cc1OC/C(N)=N/[O-]	230465999	344636524	/nfs/dbraw/zinc/63/65/24/344636524.db2.gz	JZTUNYLPEYVDCO-UHFFFAOYSA-N	-1	3	198.197	1.259	10	30		ADEEHM
N#Cc1cc(N)c(Cl)cc1[O-]	238608826	344815726	/nfs/dbraw/zinc/81/57/26/344815726.db2.gz	BYVBRBHGZUYABN-UHFFFAOYSA-N	-1	3	168.583	1.499	10	30		ADEEHM
N#Cc1cc([O-])cc2cccnc12	238717015	344821195	/nfs/dbraw/zinc/82/11/95/344821195.db2.gz	BJEPWZXVUUBPAR-UHFFFAOYSA-N	-1	3	170.171	1.812	10	30		ADEEHM
N#Cc1cccc(OC(F)F)c1[O-]	238726516	344822204	/nfs/dbraw/zinc/82/22/04/344822204.db2.gz	YGROCXAQZMONOI-UHFFFAOYSA-N	-1	3	185.129	1.865	10	30		ADEEHM
C#Cc1nc(C2CC2)[n-]c(=O)c1C	306162068	345052946	/nfs/dbraw/zinc/05/29/46/345052946.db2.gz	RSPDEPKPYWSLQQ-UHFFFAOYSA-N	-1	3	174.203	1.349	10	30		ADEEHM
CC1=C/C(=N/[O-])C(C(C)C)=CC1=O	306509370	345381759	/nfs/dbraw/zinc/38/17/59/345381759.db2.gz	BSCJGLVVUQCECY-LUAWRHEFSA-N	-1	3	179.219	1.928	10	30		ADEEHM
O=C(N[O-])[C@@H]1C[C@@H]1C1CCCCC1	306514521	345385263	/nfs/dbraw/zinc/38/52/63/345385263.db2.gz	AKHVKILFHSWSJM-RKDXNWHRSA-N	-1	3	183.251	1.708	10	30		ADEEHM
C#Cc1ccc(=S)[n-]n1	306790731	345616937	/nfs/dbraw/zinc/61/69/37/345616937.db2.gz	WHIOLCRTQVOPOX-UHFFFAOYSA-N	-1	3	136.179	1.120	10	30		ADEEHM
C#CC(=O)Nc1cc([O-])cc(F)c1	306869017	345669498	/nfs/dbraw/zinc/66/94/98/345669498.db2.gz	SCNOBBPKKROSPA-UHFFFAOYSA-N	-1	3	179.150	1.103	10	30		ADEEHM
N#Cc1c(F)ccc([C@@H](N)CF)c1[O-]	306918392	345698072	/nfs/dbraw/zinc/69/80/72/345698072.db2.gz	ZUEZBPIUVCIPEB-QMMMGPOBSA-N	-1	3	198.172	1.372	10	30		ADEEHM
COC(=O)c1c(C#N)ccc([O-])c1C	307003088	345745366	/nfs/dbraw/zinc/74/53/66/345745366.db2.gz	IRGVPVRHGVZMLE-UHFFFAOYSA-N	-1	3	191.186	1.359	10	30		ADEEHM
COC(=O)c1cc(F)c(C#N)cc1[O-]	307272352	345939126	/nfs/dbraw/zinc/93/91/26/345939126.db2.gz	UADIIYFVQZKGOA-UHFFFAOYSA-N	-1	3	195.149	1.190	10	30		ADEEHM
CC(C)/N=C/c1ccc(O)cc1[O-]	307402438	346019984	/nfs/dbraw/zinc/01/99/84/346019984.db2.gz	BSCUCAVNNWXLQJ-IZZDOVSWSA-N	-1	3	179.219	1.925	10	30		ADEEHM
CN([O-])C(=O)c1ccc(Cl)nc1	307382835	346007594	/nfs/dbraw/zinc/00/75/94/346007594.db2.gz	BLEXBIBDTYNYBL-UHFFFAOYSA-N	-1	3	186.598	1.196	10	30		ADEEHM
C=C(C)Cn1[n-]c2c(c1=O)[C@@H](C)CC2	634603480	347419319	/nfs/dbraw/zinc/41/93/19/347419319.db2.gz	APRMCHPMODIFBD-WCBMZHEXSA-N	-1	3	192.262	1.807	10	30		ADEEHM
CCOc1cc([O-])c(C)c(C#N)c1	575670240	352884878	/nfs/dbraw/zinc/88/48/78/352884878.db2.gz	HKMBSPBJSOYKLS-UHFFFAOYSA-N	-1	3	177.203	1.971	10	30		ADEEHM
CCOc1cc([O-])cc(C#N)c1C	575670978	352885273	/nfs/dbraw/zinc/88/52/73/352885273.db2.gz	RIMPNYBKSCOVDN-UHFFFAOYSA-N	-1	3	177.203	1.971	10	30		ADEEHM
CCOc1cc(F)cc(C#N)c1[O-]	575670555	352885397	/nfs/dbraw/zinc/88/53/97/352885397.db2.gz	LTBLVNZYTXLKLR-UHFFFAOYSA-N	-1	3	181.166	1.802	10	30		ADEEHM
C=CCO[N-]C(=O)[C@@H]1CCCC12CC2	529470950	325661492	/nfs/dbraw/zinc/66/14/92/325661492.db2.gz	ZGSMSVIHBGUKSB-VIFPVBQESA-N	-1	3	195.262	1.801	10	30		ADEEHM
CC1=CC(=O)c2cccc([O-])c2C1=O	1633831	342953476	/nfs/dbraw/zinc/95/34/76/342953476.db2.gz	ZMOIGGHUSNHCAB-UHFFFAOYSA-N	-1	3	188.182	1.718	10	30	endogenous,in-man	ADEEHM
CCc1ccc(C#N)cc1[O-]	1683086	342958070	/nfs/dbraw/zinc/95/80/70/342958070.db2.gz	VEOXBALAKOUEOA-UHFFFAOYSA-N	-1	3	147.177	1.826	10	30		ADEEHM
Cc1cc(/C=N\[O-])ccc1O	2529996	342974669	/nfs/dbraw/zinc/97/46/69/342974669.db2.gz	KBGGLLOAQQECHL-UITAMQMPSA-N	-1	3	151.165	1.509	10	30		ADEEHM
C[C@H]1C(C)(C)[N-]C(=S)O[C@]1(C)C#N	3108822	342980563	/nfs/dbraw/zinc/98/05/63/342980563.db2.gz	YZJHIUWJBGEESB-IMTBSYHQSA-N	-1	3	198.291	1.588	10	30		ADEEHM
C[C@H]1C(C)(C)[N-]C(=S)O[C@@]1(C)C#N	3108823	342980666	/nfs/dbraw/zinc/98/06/66/342980666.db2.gz	YZJHIUWJBGEESB-RCOVLWMOSA-N	-1	3	198.291	1.588	10	30		ADEEHM
CC(=O)C(Br)=C(C)[O-]	4714958	342994656	/nfs/dbraw/zinc/99/46/56/342994656.db2.gz	PXYVIMZMALBPQE-HWKANZROSA-N	-1	3	179.013	1.760	10	30		ADEEHM
CC(=O)N([O-])c1ccc(F)cc1	5159893	342999186	/nfs/dbraw/zinc/99/91/86/342999186.db2.gz	WECXQXILSTUVAR-UHFFFAOYSA-N	-1	3	169.155	1.568	10	30		ADEEHM
C[C@@H](O)C/N=C/c1ccccc1[O-]	5674233	343006101	/nfs/dbraw/zinc/00/61/01/343006101.db2.gz	NAKZQZJOLBYVBX-XAPLUZPNSA-N	-1	3	179.219	1.192	10	30		ADEEHM
C[C@H](O)C/N=C/c1ccccc1[O-]	5671423	343006322	/nfs/dbraw/zinc/00/63/22/343006322.db2.gz	NAKZQZJOLBYVBX-LBTPYSACSA-N	-1	3	179.219	1.192	10	30		ADEEHM
COc1cc(/C(C)=N/[O-])ccc1O	15045884	343041436	/nfs/dbraw/zinc/04/14/36/343041436.db2.gz	WFIUYOSLZSKZCZ-UXBLZVDNSA-N	-1	3	181.191	1.599	10	30		ADEEHM
CC(C#N)=C([O-])c1ccoc1	34975793	343126648	/nfs/dbraw/zinc/12/66/48/343126648.db2.gz	RJMXRICOIGFNFU-ZCFIWIBFSA-N	-1	3	149.149	1.622	10	30		ADEEHM
C=CC/N=C/c1ccccc1[O-]	38189109	343185483	/nfs/dbraw/zinc/18/54/83/343185483.db2.gz	KYKGCMGQXRZHFT-DHZHZOJOSA-N	-1	3	161.204	1.997	10	30		ADEEHM
CN([O-])C(=O)C/C=C/c1ccccc1	38434704	343188770	/nfs/dbraw/zinc/18/87/70/343188770.db2.gz	CDPKZTTYZLIERD-VMPITWQZSA-N	-1	3	191.230	1.938	10	30		ADEEHM
N#CCc1c([O-])ccc(F)c1F	38865171	343191579	/nfs/dbraw/zinc/19/15/79/343191579.db2.gz	PZWNINBPAKETBS-UHFFFAOYSA-N	-1	3	169.130	1.736	10	30		ADEEHM
CCc1c([O-])ccc(C#N)c1N	39136149	343204167	/nfs/dbraw/zinc/20/41/67/343204167.db2.gz	KVLHEPUUHJWMRV-UHFFFAOYSA-N	-1	3	162.192	1.408	10	30		ADEEHM
Cc1ccc([O-])c2c1C(=O)C=CC2=O	39200633	343205910	/nfs/dbraw/zinc/20/59/10/343205910.db2.gz	TXXUBEQXPAAZRY-UHFFFAOYSA-N	-1	3	188.182	1.636	10	30		ADEEHM
C[C@H](C#N)NC(=O)c1cccc([O-])c1	40350465	343216398	/nfs/dbraw/zinc/21/63/98/343216398.db2.gz	DLHFUZHTXHCDCN-SSDOTTSWSA-N	-1	3	190.202	1.034	10	30		ADEEHM
Cc1cc([N-]C(=O)C(C)(C)C#N)on1	44351280	343263958	/nfs/dbraw/zinc/26/39/58/343263958.db2.gz	BOBVHYZTWFBRRV-UHFFFAOYSA-N	-1	3	193.206	1.471	10	30		ADEEHM
Cc1cc(=S)n(CCC#N)[n-]1	52305237	343305565	/nfs/dbraw/zinc/30/55/65/343305565.db2.gz	NPHHPKIVZFEVFV-UHFFFAOYSA-N	-1	3	167.237	1.394	10	30		ADEEHM
O=C(N[O-])C1CCCCCC1	53714776	343315118	/nfs/dbraw/zinc/31/51/18/343315118.db2.gz	GJONOBDEYHPYOT-UHFFFAOYSA-N	-1	3	157.213	1.462	10	30		ADEEHM
Cc1cccc(-c2n[n-]c(CC#N)n2)c1	53994819	343317056	/nfs/dbraw/zinc/31/70/56/343317056.db2.gz	BKHWOJQMLWTAEW-UHFFFAOYSA-N	-1	3	198.229	1.846	10	30		ADEEHM
Cc1cccc(-c2nc(CC#N)n[n-]2)c1	53994819	343317058	/nfs/dbraw/zinc/31/70/58/343317058.db2.gz	BKHWOJQMLWTAEW-UHFFFAOYSA-N	-1	3	198.229	1.846	10	30		ADEEHM
C#CCOc1ccc2c([O-])coc2c1	57524189	343337586	/nfs/dbraw/zinc/33/75/86/343337586.db2.gz	QKRKQSCYKZOMGY-UHFFFAOYSA-N	-1	3	188.182	1.274	10	30		ADEEHM
COc1cc(F)cc(C#N)c1[O-]	59788449	343347698	/nfs/dbraw/zinc/34/76/98/343347698.db2.gz	WMZBDENTULOZDU-UHFFFAOYSA-N	-1	3	167.139	1.412	10	30		ADEEHM
Cc1ccc(/C=N\[O-])cc1F	59871058	343348273	/nfs/dbraw/zinc/34/82/73/343348273.db2.gz	DKQTXIZXALLYPG-YHYXMXQVSA-N	-1	3	153.156	1.942	10	30		ADEEHM
CC#CCN1CCC(C)(C(=O)[O-])CC1	62843998	343383069	/nfs/dbraw/zinc/38/30/69/343383069.db2.gz	GEUSZUFCHBNSFC-UHFFFAOYSA-N	-1	3	195.262	1.196	10	30		ADEEHM
C#CCCNC(=O)c1ccc([O-])cc1	69791420	343441224	/nfs/dbraw/zinc/44/12/24/343441224.db2.gz	PLSPKFJTXCCQFS-UHFFFAOYSA-N	-1	3	189.214	1.145	10	30		ADEEHM
C#CCCNC(=O)c1cccc([O-])c1	69791422	343441263	/nfs/dbraw/zinc/44/12/63/343441263.db2.gz	VLAWEVGGEWZVNX-UHFFFAOYSA-N	-1	3	189.214	1.145	10	30		ADEEHM
C#CCCNC(=O)c1ccccc1[O-]	70246764	343485580	/nfs/dbraw/zinc/48/55/80/343485580.db2.gz	CSZQYPWZQWARRO-UHFFFAOYSA-N	-1	3	189.214	1.145	10	30		ADEEHM
N#CCc1n[n-]c(-c2ccoc2)n1	70584220	343496531	/nfs/dbraw/zinc/49/65/31/343496531.db2.gz	OCESAMDDWLGXIK-UHFFFAOYSA-N	-1	3	174.163	1.131	10	30		ADEEHM
N#CCc1nc(-c2ccoc2)n[n-]1	70584220	343496532	/nfs/dbraw/zinc/49/65/32/343496532.db2.gz	OCESAMDDWLGXIK-UHFFFAOYSA-N	-1	3	174.163	1.131	10	30		ADEEHM
N#CCc1n[n-]c(-c2ccsc2)n1	70584224	343497168	/nfs/dbraw/zinc/49/71/68/343497168.db2.gz	MASWKBMEGBNBTC-UHFFFAOYSA-N	-1	3	190.231	1.599	10	30		ADEEHM
N#CCc1nnc(-c2ccsc2)[n-]1	70584224	343497170	/nfs/dbraw/zinc/49/71/70/343497170.db2.gz	MASWKBMEGBNBTC-UHFFFAOYSA-N	-1	3	190.231	1.599	10	30		ADEEHM
N#CCc1n[n-]c(-c2cccs2)n1	70584236	343497305	/nfs/dbraw/zinc/49/73/05/343497305.db2.gz	KULCAROSKIPHKK-UHFFFAOYSA-N	-1	3	190.231	1.599	10	30		ADEEHM
N#CCc1nnc(-c2cccs2)[n-]1	70584236	343497306	/nfs/dbraw/zinc/49/73/06/343497306.db2.gz	KULCAROSKIPHKK-UHFFFAOYSA-N	-1	3	190.231	1.599	10	30		ADEEHM
N#CCc1nc(-c2cccs2)n[n-]1	70584236	343497308	/nfs/dbraw/zinc/49/73/08/343497308.db2.gz	KULCAROSKIPHKK-UHFFFAOYSA-N	-1	3	190.231	1.599	10	30		ADEEHM
N#CCCn1[n-]c(C2CC2)cc1=S	71006899	343547768	/nfs/dbraw/zinc/54/77/68/343547768.db2.gz	FDCSTKNZRAGKPF-UHFFFAOYSA-N	-1	3	193.275	1.963	10	30		ADEEHM
Cc1[nH]c(=S)[n-]c(=O)c1CCC#N	72417207	343570473	/nfs/dbraw/zinc/57/04/73/343570473.db2.gz	DWUXXPOZFAMJPS-UHFFFAOYSA-N	-1	3	195.247	1.197	10	30		ADEEHM
Cc1ccc(-c2n[n-]nc2C#N)o1	75618388	343578059	/nfs/dbraw/zinc/57/80/59/343578059.db2.gz	BBZMZAWJGSSPCK-UHFFFAOYSA-N	-1	3	174.163	1.245	10	30		ADEEHM
CCc1ccc([O-])c(C#N)c1	83268017	343617807	/nfs/dbraw/zinc/61/78/07/343617807.db2.gz	XAYGVIDJDDWNMC-UHFFFAOYSA-N	-1	3	147.177	1.826	10	30		ADEEHM
CCc1c([O-])cccc1C#N	95711025	343686024	/nfs/dbraw/zinc/68/60/24/343686024.db2.gz	OFRVUHHHRXBACU-UHFFFAOYSA-N	-1	3	147.177	1.826	10	30		ADEEHM
CN1C(=C[O-])C(=O)c2ccccc21	95924484	343690523	/nfs/dbraw/zinc/69/05/23/343690523.db2.gz	YRTSNQDVQKGKAV-RMKNXTFCSA-N	-1	3	175.187	1.719	10	30		ADEEHM
CC1(C)N=C(/C=N/[O-])C(C)(C)N1O	100079552	343710578	/nfs/dbraw/zinc/71/05/78/343710578.db2.gz	RTSNJHGNCNPJOI-WEVVVXLNSA-N	-1	3	184.219	1.063	10	30		ADEEHM
CC(=O)c1cccc(/C(C)=N/[O-])n1	100532694	343718437	/nfs/dbraw/zinc/71/84/37/343718437.db2.gz	JMUSRTSDIGPEQD-IZZDOVSWSA-N	-1	3	178.191	1.482	10	30		ADEEHM
CN(C)/C=N/c1ccccc1[O-]	105585023	343736660	/nfs/dbraw/zinc/73/66/60/343736660.db2.gz	ZZLRBBAANDKQAJ-JXMROGBWSA-N	-1	3	164.208	1.614	10	30		ADEEHM
CCCCCc1nc(C#N)c(C#N)[n-]1	115590666	343767099	/nfs/dbraw/zinc/76/70/99/343767099.db2.gz	LXLXXFXPBMQUIS-UHFFFAOYSA-N	-1	3	188.234	1.886	10	30		ADEEHM
Cc1cc(C#N)cc(N)c1[O-]	116963810	343771364	/nfs/dbraw/zinc/77/13/64/343771364.db2.gz	QVQBWBRHGNLSPE-UHFFFAOYSA-N	-1	3	148.165	1.155	10	30		ADEEHM
C=CC[C@H](C)OC/C=N/[O-]	117576394	343772589	/nfs/dbraw/zinc/77/25/89/343772589.db2.gz	YNSUHBZTLKBODB-QAZRXNLGSA-N	-1	3	143.186	1.428	10	30		ADEEHM
COc1cccc(/C(C)=N\[O-])c1	118896756	343777515	/nfs/dbraw/zinc/77/75/15/343777515.db2.gz	PHQAPZHVNJXUSH-YFHOEESVSA-N	-1	3	165.192	1.893	10	30		ADEEHM
O=C(N[O-])C1CCC(F)(F)CC1	127075204	343803678	/nfs/dbraw/zinc/80/36/78/343803678.db2.gz	ZPLSQFDTBGRNMV-UHFFFAOYSA-N	-1	3	179.166	1.317	10	30		ADEEHM
CC#CCN1CCCC[C@@]1(C)C(=O)[O-]	127622217	343815597	/nfs/dbraw/zinc/81/55/97/343815597.db2.gz	IMNOJYMCOSVYJU-NSHDSACASA-N	-1	3	195.262	1.339	10	30		ADEEHM
C[C@@]1(C(=O)[O-])CCCCN1CCC#N	127638686	343815830	/nfs/dbraw/zinc/81/58/30/343815830.db2.gz	KWAHUAVPBOXLAS-JTQLQIEISA-N	-1	3	196.250	1.229	10	30		ADEEHM
C[C@]1(C(=O)[O-])CCCCN1CCC#N	127638452	343815847	/nfs/dbraw/zinc/81/58/47/343815847.db2.gz	KWAHUAVPBOXLAS-SNVBAGLBSA-N	-1	3	196.250	1.229	10	30		ADEEHM
CC#CCN1CCCC[C@]1(C)C(=O)[O-]	127622410	343815864	/nfs/dbraw/zinc/81/58/64/343815864.db2.gz	IMNOJYMCOSVYJU-LLVKDONJSA-N	-1	3	195.262	1.339	10	30		ADEEHM
CC(C)C(C#N)=C([O-])c1ncccn1	130045067	343861169	/nfs/dbraw/zinc/86/11/69/343861169.db2.gz	JMAYDSDOXJXJIM-MRVPVSSYSA-N	-1	3	189.218	1.455	10	30		ADEEHM
CC(C)C(C#N)=C([O-])c1ncccn1	130045311	343861411	/nfs/dbraw/zinc/86/14/11/343861411.db2.gz	JMAYDSDOXJXJIM-QMMMGPOBSA-N	-1	3	189.218	1.455	10	30		ADEEHM
Cn1c(=S)[n-]c2c(C#N)cccc21	131206813	343882225	/nfs/dbraw/zinc/88/22/25/343882225.db2.gz	FXQRKYRQMONXCG-UHFFFAOYSA-N	-1	3	189.243	1.734	10	30		ADEEHM
COC(=O)c1sc(C)cc1[O-]	137390059	343984811	/nfs/dbraw/zinc/98/48/11/343984811.db2.gz	IWHVIUGHNFKBGL-SREVYHEPSA-N	-1	3	172.205	1.580	10	30		ADEEHM
COC([O-])=C1SC(C)=CC1=O	137390059	343984813	/nfs/dbraw/zinc/98/48/13/343984813.db2.gz	IWHVIUGHNFKBGL-SREVYHEPSA-N	-1	3	172.205	1.580	10	30		ADEEHM
COC(=O)c1sc(C)cc1[O-]	137390121	343984998	/nfs/dbraw/zinc/98/49/98/343984998.db2.gz	IWHVIUGHNFKBGL-VOTSOKGWSA-N	-1	3	172.205	1.580	10	30		ADEEHM
COC([O-])=C1SC(C)=CC1=O	137390121	343985001	/nfs/dbraw/zinc/98/50/01/343985001.db2.gz	IWHVIUGHNFKBGL-VOTSOKGWSA-N	-1	3	172.205	1.580	10	30		ADEEHM
CC1=C([O-])C(C)(C)CC1=O	137890176	343987362	/nfs/dbraw/zinc/98/73/62/343987362.db2.gz	PBQJAPYFRQOQFE-UHFFFAOYSA-N	-1	3	140.182	1.817	10	30		ADEEHM
CCC/C(Cl)=N/[O-]	138114973	343988037	/nfs/dbraw/zinc/98/80/37/343988037.db2.gz	UQBGWOJBYNZPPZ-XQRVVYSFSA-N	-1	3	121.567	1.813	10	30		ADEEHM
O=CC(=C[O-])c1c[nH]c2ccccc12	138691725	343989843	/nfs/dbraw/zinc/98/98/43/343989843.db2.gz	RKQLTEBFGZNQJX-UHFFFAOYSA-N	-1	3	187.198	1.649	10	30		ADEEHM
C[C@H](O)/C(=N/[O-])c1ccccc1	140907163	344002604	/nfs/dbraw/zinc/00/26/04/344002604.db2.gz	DSLXSOONLYUGST-NTQIJVKTSA-N	-1	3	165.192	1.246	10	30		ADEEHM
C#Cc1cc([O-])cc(F)c1	140997206	344003220	/nfs/dbraw/zinc/00/32/20/344003220.db2.gz	OXXSIOXIDUABAE-UHFFFAOYSA-N	-1	3	136.125	1.513	10	30		ADEEHM
COC(=O)c1c([O-])cccc1C#N	141448877	344005942	/nfs/dbraw/zinc/00/59/42/344005942.db2.gz	IPFVMQPFGHSMFL-UHFFFAOYSA-N	-1	3	177.159	1.050	10	30		ADEEHM
N#Cc1cc(Cl)cc(N)c1[O-]	141508442	344006205	/nfs/dbraw/zinc/00/62/05/344006205.db2.gz	LHOZDRDHIBGTLA-UHFFFAOYSA-N	-1	3	168.583	1.499	10	30		ADEEHM
O=CCc1cc([O-])cc(F)c1	144408612	344026718	/nfs/dbraw/zinc/02/67/18/344026718.db2.gz	BWAPMNXRXHNBBZ-UHFFFAOYSA-N	-1	3	154.140	1.273	10	30		ADEEHM
[O-]c1ccccc1/C=N/CCS	145444359	344033440	/nfs/dbraw/zinc/03/34/40/344033440.db2.gz	IPEQPZAXXDTCMM-JXMROGBWSA-N	-1	3	181.260	1.741	10	30		ADEEHM
CCOc1cc([O-])cc(C#N)c1F	148405740	344054234	/nfs/dbraw/zinc/05/42/34/344054234.db2.gz	KDPPRKAOQAXBBU-UHFFFAOYSA-N	-1	3	181.166	1.802	10	30		ADEEHM
COc1cc([O-])cc(C#N)c1F	148409427	344054298	/nfs/dbraw/zinc/05/42/98/344054298.db2.gz	OYKVOAATEYEZFX-UHFFFAOYSA-N	-1	3	167.139	1.412	10	30		ADEEHM
N#CCc1c([O-])cccc1F	148457662	344054909	/nfs/dbraw/zinc/05/49/09/344054909.db2.gz	XYKOPDIKBLYWPJ-UHFFFAOYSA-N	-1	3	151.140	1.597	10	30		ADEEHM
O=C(N[O-])c1cc2ccccc2cn1	148645555	344057203	/nfs/dbraw/zinc/05/72/03/344057203.db2.gz	PDYHLDGWKQJXDD-UHFFFAOYSA-N	-1	3	188.186	1.354	10	30		ADEEHM
N#CCc1cc(F)c(F)cc1[O-]	149377273	344064866	/nfs/dbraw/zinc/06/48/66/344064866.db2.gz	BRNHHVXSYASMQQ-UHFFFAOYSA-N	-1	3	169.130	1.736	10	30		ADEEHM
CCOC(C)(C)/C=N/[O-]	149443352	344065902	/nfs/dbraw/zinc/06/59/02/344065902.db2.gz	QKBOANGNKMULQH-FNORWQNLSA-N	-1	3	131.175	1.262	10	30		ADEEHM
CO/N=C/c1cccc(O)c1[O-]	150023795	344075449	/nfs/dbraw/zinc/07/54/49/344075449.db2.gz	NQNVFBLIWSJMPB-WEVVVXLNSA-N	-1	3	167.164	1.078	10	30		ADEEHM
COc1cc([O-])c(C#N)c(OC)c1	150101030	344076726	/nfs/dbraw/zinc/07/67/26/344076726.db2.gz	SHZMDDRPYQDNKJ-UHFFFAOYSA-N	-1	3	179.175	1.281	10	30		ADEEHM
C#CCNCc1cccc(F)c1[O-]	159150523	344139778	/nfs/dbraw/zinc/13/97/78/344139778.db2.gz	WEYSGXHDQNODSZ-UHFFFAOYSA-N	-1	3	179.194	1.254	10	30		ADEEHM
C#CCNCc1cc([O-])cc(F)c1	159583353	344148498	/nfs/dbraw/zinc/14/84/98/344148498.db2.gz	ZMWYMGRWZGRGBS-UHFFFAOYSA-N	-1	3	179.194	1.254	10	30		ADEEHM
N#C[C@@H](N)c1cc([O-])cc(F)c1	159627639	344149514	/nfs/dbraw/zinc/14/95/14/344149514.db2.gz	QWJKOUAAYWZPGY-MRVPVSSYSA-N	-1	3	166.155	1.055	10	30		ADEEHM
CN[C@@H](C#N)c1cc([O-])cc(F)c1	159627924	344149520	/nfs/dbraw/zinc/14/95/20/344149520.db2.gz	ZTRJOFDTFJMDNF-VIFPVBQESA-N	-1	3	180.182	1.315	10	30		ADEEHM
CN[C@H](C#N)c1cc([O-])cc(F)c1	159628051	344149620	/nfs/dbraw/zinc/14/96/20/344149620.db2.gz	ZTRJOFDTFJMDNF-SECBINFHSA-N	-1	3	180.182	1.315	10	30		ADEEHM
N#C[C@H](N)c1cc([O-])cc(F)c1	159627793	344149625	/nfs/dbraw/zinc/14/96/25/344149625.db2.gz	QWJKOUAAYWZPGY-QMMMGPOBSA-N	-1	3	166.155	1.055	10	30		ADEEHM
C=C[C@H](C)n1ccc(=O)[n-]c1=S	159722072	344151115	/nfs/dbraw/zinc/15/11/15/344151115.db2.gz	UZTUUGKZYDAIDQ-LURJTMIESA-N	-1	3	182.248	1.279	10	30		ADEEHM
C=C[C@@H](C)n1ccc(=O)[n-]c1=S	159722191	344151290	/nfs/dbraw/zinc/15/12/90/344151290.db2.gz	UZTUUGKZYDAIDQ-ZCFIWIBFSA-N	-1	3	182.248	1.279	10	30		ADEEHM
Cc1cc(C([O-])=C(C#N)C#N)co1	161500197	344192529	/nfs/dbraw/zinc/19/25/29/344192529.db2.gz	HPJZJFHALGABBM-UHFFFAOYSA-N	-1	3	174.159	1.434	10	30		ADEEHM
CC#CCNCc1cccc(F)c1[O-]	163180856	344219746	/nfs/dbraw/zinc/21/97/46/344219746.db2.gz	NEXTZSMUBFKMHM-UHFFFAOYSA-N	-1	3	193.221	1.644	10	30		ADEEHM
C=C[C@H](C)NC(=O)c1ccc([O-])cc1	163682335	344226734	/nfs/dbraw/zinc/22/67/34/344226734.db2.gz	FUIRFRSXZFYBDD-QMMMGPOBSA-N	-1	3	191.230	1.697	10	30		ADEEHM
C#CCN(C)C(=O)c1cccc([O-])c1	164554978	344246842	/nfs/dbraw/zinc/24/68/42/344246842.db2.gz	RVXQAWLDPCHQCL-UHFFFAOYSA-N	-1	3	189.214	1.097	10	30		ADEEHM
C=CCNc1cc(=O)[n-]c(C2CC2)n1	165796148	344269861	/nfs/dbraw/zinc/26/98/61/344269861.db2.gz	ZYKLTQHBXIPBCJ-UHFFFAOYSA-N	-1	3	191.234	1.245	10	30		ADEEHM
C=CCNc1cc(=O)[n-]c(C)n1	165796285	344269867	/nfs/dbraw/zinc/26/98/67/344269867.db2.gz	PBCLQYUWSFWBDH-UHFFFAOYSA-N	-1	3	165.196	1.089	10	30		ADEEHM
C=CC[C@@H](C)Nc1cc(=O)[n-]c(C)n1	165908876	344272330	/nfs/dbraw/zinc/27/23/30/344272330.db2.gz	BFNKDAVCUFLTGS-SSDOTTSWSA-N	-1	3	193.250	1.867	10	30		ADEEHM
C=C(Cl)CNc1cc(=O)[n-]c(C)n1	165900492	344272433	/nfs/dbraw/zinc/27/24/33/344272433.db2.gz	UESZNJYJSUWNQC-UHFFFAOYSA-N	-1	3	199.641	1.655	10	30		ADEEHM
C#CCN(C)C(=O)c1ccc([O-])cc1	166105799	344275055	/nfs/dbraw/zinc/27/50/55/344275055.db2.gz	QIRWKCBSQPOMOI-UHFFFAOYSA-N	-1	3	189.214	1.097	10	30		ADEEHM
[N-]=[N+]=Nc1cc(=O)[n-]c(C2CC2)n1	166541004	344284038	/nfs/dbraw/zinc/28/40/38/344284038.db2.gz	ZEMMVRXJEYUOPK-UHFFFAOYSA-N	-1	3	177.167	1.589	10	30		ADEEHM
CCc1nc(N=[N+]=[N-])cc(=O)[n-]1	166541758	344284168	/nfs/dbraw/zinc/28/41/68/344284168.db2.gz	RXSUHVVCJDKMMY-UHFFFAOYSA-N	-1	3	165.156	1.274	10	30		ADEEHM
CC(C)c1nc(N=[N+]=[N-])cc(=O)[n-]1	166541503	344284229	/nfs/dbraw/zinc/28/42/29/344284229.db2.gz	IGSYKQHGLIJSPQ-UHFFFAOYSA-N	-1	3	179.183	1.835	10	30		ADEEHM
C[C@@H](CC(=O)N[O-])c1ccc(N)cc1	166913711	344292613	/nfs/dbraw/zinc/29/26/13/344292613.db2.gz	AQKKSVLESUXVFU-ZETCQYMHSA-N	-1	3	194.234	1.268	10	30		ADEEHM
C[C@H](CC(=O)N[O-])c1ccc(N)cc1	166913826	344292702	/nfs/dbraw/zinc/29/27/02/344292702.db2.gz	AQKKSVLESUXVFU-SSDOTTSWSA-N	-1	3	194.234	1.268	10	30		ADEEHM
CO/N=C/c1cc(F)ccc1[O-]	167434157	344305259	/nfs/dbraw/zinc/30/52/59/344305259.db2.gz	CKKVKJICOHISAO-BJMVGYQFSA-N	-1	3	169.155	1.512	10	30		ADEEHM
O=C(N[O-])[C@H]1CCNc2ccccc21	167501830	344306792	/nfs/dbraw/zinc/30/67/92/344306792.db2.gz	HTTBPIJSBPKKBU-QMMMGPOBSA-N	-1	3	192.218	1.091	10	30		ADEEHM
O=C(N[O-])[C@@H]1CCNc2ccccc21	167501720	344306992	/nfs/dbraw/zinc/30/69/92/344306992.db2.gz	HTTBPIJSBPKKBU-MRVPVSSYSA-N	-1	3	192.218	1.091	10	30		ADEEHM
C=C(C)CNc1cc(=O)[n-]c(C)n1	167631005	344309610	/nfs/dbraw/zinc/30/96/10/344309610.db2.gz	QMCXBYBRJWTSAJ-UHFFFAOYSA-N	-1	3	179.223	1.479	10	30		ADEEHM
C=C(C)Cn1ccc(=O)[n-]c1=S	167679370	344311142	/nfs/dbraw/zinc/31/11/42/344311142.db2.gz	SDLFHCOGUQCMPK-UHFFFAOYSA-N	-1	3	182.248	1.108	10	30		ADEEHM
COc1cc([O-])c(C#N)cc1OC	168287048	344327299	/nfs/dbraw/zinc/32/72/99/344327299.db2.gz	YAZSRHINKUPCJO-UHFFFAOYSA-N	-1	3	179.175	1.281	10	30		ADEEHM
CCC(C#N)=C([O-])c1cnn(C)c1	168755779	344336497	/nfs/dbraw/zinc/33/64/97/344336497.db2.gz	RVFYJUHTHPGNBG-ZETCQYMHSA-N	-1	3	177.207	1.153	10	30		ADEEHM
CCC(C#N)=C([O-])c1cnn(C)c1	168755862	344336626	/nfs/dbraw/zinc/33/66/26/344336626.db2.gz	RVFYJUHTHPGNBG-SSDOTTSWSA-N	-1	3	177.207	1.153	10	30		ADEEHM
[O-]/N=C(\c1cccnc1)c1ccccn1	169426167	344350870	/nfs/dbraw/zinc/35/08/70/344350870.db2.gz	JEJQHNMEFZZXMB-SDNWHVSQSA-N	-1	3	199.213	1.703	10	30		ADEEHM
C=CCNC(=O)c1cc([O-])cc(O)c1	170215103	344353204	/nfs/dbraw/zinc/35/32/04/344353204.db2.gz	WYVVRHJKYMZAKO-UHFFFAOYSA-N	-1	3	193.202	1.014	10	30		ADEEHM
O=C1/C(=N/[O-])Cc2cc(F)c(F)cc21	201516816	344365396	/nfs/dbraw/zinc/36/53/96/344365396.db2.gz	BYYGMUGRXMVSNS-XYOKQWHBSA-N	-1	3	197.140	1.534	10	30		ADEEHM
CC1(C)Cc2c([O-])ccc(C#N)c2O1	203921867	344368724	/nfs/dbraw/zinc/36/87/24/344368724.db2.gz	GWKVLXBFPXDAIF-UHFFFAOYSA-N	-1	3	189.214	1.977	10	30		ADEEHM
O=C1CCC([O-])=C1C1CC1	205577280	344374180	/nfs/dbraw/zinc/37/41/80/344374180.db2.gz	NKWUOCDRRBMKFC-UHFFFAOYSA-N	-1	3	138.166	1.571	10	30		ADEEHM
Cc1[n-]sc(=NN(C)C)c1C#N	215176434	344386779	/nfs/dbraw/zinc/38/67/79/344386779.db2.gz	QWWUTVDUUYWOCF-UHFFFAOYSA-N	-1	3	182.252	1.212	10	30		ADEEHM
CC#CCN1CCC[C@]1(CC)C(=O)[O-]	215246449	344387760	/nfs/dbraw/zinc/38/77/60/344387760.db2.gz	UCTATVAPWVMAMC-LLVKDONJSA-N	-1	3	195.262	1.339	10	30		ADEEHM
CC#CCN1CCC[C@@]1(CC)C(=O)[O-]	215246502	344387860	/nfs/dbraw/zinc/38/78/60/344387860.db2.gz	UCTATVAPWVMAMC-NSHDSACASA-N	-1	3	195.262	1.339	10	30		ADEEHM
CCC(=O)/N=C/c1ccc([O-])cc1	216041587	344394715	/nfs/dbraw/zinc/39/47/15/344394715.db2.gz	KERYGOWIOXILSO-YRNVUSSQSA-N	-1	3	177.203	1.748	10	30		ADEEHM
CCC(=O)/N=C/c1ccccc1[O-]	216041506	344394736	/nfs/dbraw/zinc/39/47/36/344394736.db2.gz	UWNJZLLHHXYTCZ-YRNVUSSQSA-N	-1	3	177.203	1.748	10	30		ADEEHM
C#Cc1ccc(C(=O)OC)cc1[O-]	216171263	344395225	/nfs/dbraw/zinc/39/52/25/344395225.db2.gz	KLHOANYPMNIIHW-UHFFFAOYSA-N	-1	3	176.171	1.160	10	30		ADEEHM
COC(=O)c1cc(C#N)cc(C)c1[O-]	218569165	344413534	/nfs/dbraw/zinc/41/35/34/344413534.db2.gz	PUECRKGPJJNKCD-UHFFFAOYSA-N	-1	3	191.186	1.359	10	30		ADEEHM
C[Si](C)(C)C#C/C(Cl)=N/[O-]	218603528	344414120	/nfs/dbraw/zinc/41/41/20/344414120.db2.gz	RRFSAQDPKSWWGJ-VURMDHGXSA-N	-1	3	175.691	1.894	10	30		ADEEHM
COc1cc(C#N)cc([O-])c1OC	219821290	344428363	/nfs/dbraw/zinc/42/83/63/344428363.db2.gz	VXFKMXLHIHDARC-UHFFFAOYSA-N	-1	3	179.175	1.281	10	30		ADEEHM
C#Cc1ccc([O-])c(F)c1	224382565	344468659	/nfs/dbraw/zinc/46/86/59/344468659.db2.gz	XQQDAJUKOVTXRT-UHFFFAOYSA-N	-1	3	136.125	1.513	10	30		ADEEHM
C=CCNC(=O)c1cc(O)ccc1[O-]	224748940	344472934	/nfs/dbraw/zinc/47/29/34/344472934.db2.gz	UFJSFIWWBUWSPQ-UHFFFAOYSA-N	-1	3	193.202	1.014	10	30		ADEEHM
O=C1C[C@H](c2ccccc2)CN1[O-]	224931745	344474547	/nfs/dbraw/zinc/47/45/47/344474547.db2.gz	WJFYROOCDNTZEN-VIFPVBQESA-N	-1	3	177.203	1.392	10	30		ADEEHM
O=C1C[C@@H](c2ccccc2)CN1[O-]	224931708	344474575	/nfs/dbraw/zinc/47/45/75/344474575.db2.gz	WJFYROOCDNTZEN-SECBINFHSA-N	-1	3	177.203	1.392	10	30		ADEEHM
C#C[C@H](CC)Nc1cc(=O)[n-]c(C)n1	230000844	344622768	/nfs/dbraw/zinc/62/27/68/344622768.db2.gz	HXUDDNUHYQYBMX-MRVPVSSYSA-N	-1	3	191.234	1.314	10	30		ADEEHM
C#C[C@@H](CC)Nc1cc(=O)[n-]c(C)n1	230000838	344622886	/nfs/dbraw/zinc/62/28/86/344622886.db2.gz	HXUDDNUHYQYBMX-QMMMGPOBSA-N	-1	3	191.234	1.314	10	30		ADEEHM
[O-]/N=C1/CCc2c(O)cccc21	231422049	344653255	/nfs/dbraw/zinc/65/32/55/344653255.db2.gz	IQMLTLPOBWCRRE-NTMALXAHSA-N	-1	3	163.176	1.517	10	30		ADEEHM
Cc1cccc(OC/C(N)=N/[O-])c1F	232320263	344675430	/nfs/dbraw/zinc/67/54/30/344675430.db2.gz	HDMPZUAMHRKLOZ-UHFFFAOYSA-N	-1	3	198.197	1.259	10	30		ADEEHM
C=C(CNCc1ccccc1)C(=O)[O-]	232426247	344676143	/nfs/dbraw/zinc/67/61/43/344676143.db2.gz	LRYDNJLCEOGWIM-UHFFFAOYSA-N	-1	3	191.230	1.417	10	30		ADEEHM
CN[C@H](C#N)c1ccc([O-])c(F)c1	232423841	344676310	/nfs/dbraw/zinc/67/63/10/344676310.db2.gz	IHIVORVXKNUPLU-MRVPVSSYSA-N	-1	3	180.182	1.315	10	30		ADEEHM
CN[C@@H](C#N)c1ccc([O-])c(F)c1	232423839	344676513	/nfs/dbraw/zinc/67/65/13/344676513.db2.gz	IHIVORVXKNUPLU-QMMMGPOBSA-N	-1	3	180.182	1.315	10	30		ADEEHM
CN(C)[C@@H](C#N)c1ccc([O-])c(F)c1	232444139	344677079	/nfs/dbraw/zinc/67/70/79/344677079.db2.gz	CNLKVFUFYMQQLP-VIFPVBQESA-N	-1	3	194.209	1.658	10	30		ADEEHM
CN(C)[C@H](C#N)c1ccc([O-])c(F)c1	232444140	344677119	/nfs/dbraw/zinc/67/71/19/344677119.db2.gz	CNLKVFUFYMQQLP-SECBINFHSA-N	-1	3	194.209	1.658	10	30		ADEEHM
Cc1ncc(C([O-])=C(C#N)C#N)s1	235814356	344767697	/nfs/dbraw/zinc/76/76/97/344767697.db2.gz	RBSQUUURCLPLBS-UHFFFAOYSA-N	-1	3	191.215	1.298	10	30		ADEEHM
Cc1nccnc1C([O-])=CC=O	235813737	344767859	/nfs/dbraw/zinc/76/78/59/344767859.db2.gz	LNTRWLRGUFBJPK-GORDUTHDSA-N	-1	3	164.164	1.039	10	30		ADEEHM
Cc1nc(C([O-])=C(C#N)C#N)cs1	235822596	344768175	/nfs/dbraw/zinc/76/81/75/344768175.db2.gz	UNUWMQYAEPHBNL-UHFFFAOYSA-N	-1	3	191.215	1.298	10	30		ADEEHM
C#Cc1[n-]c(=S)oc1C	235850365	344768836	/nfs/dbraw/zinc/76/88/36/344768836.db2.gz	MHDDTIIWPXONPB-UHFFFAOYSA-N	-1	3	139.179	1.253	10	30		ADEEHM
O=C(C1=CCCCC1)c1cnn[n-]1	236392820	344783953	/nfs/dbraw/zinc/78/39/53/344783953.db2.gz	ZRACVQJBZZCGIO-UHFFFAOYSA-N	-1	3	177.207	1.488	10	30		ADEEHM
O=C(C1=CCCCC1)c1c[n-]nn1	236392820	344783954	/nfs/dbraw/zinc/78/39/54/344783954.db2.gz	ZRACVQJBZZCGIO-UHFFFAOYSA-N	-1	3	177.207	1.488	10	30		ADEEHM
O=C(C1=CCCCC1)c1cn[n-]n1	236392820	344783957	/nfs/dbraw/zinc/78/39/57/344783957.db2.gz	ZRACVQJBZZCGIO-UHFFFAOYSA-N	-1	3	177.207	1.488	10	30		ADEEHM
C#CCNC(=O)c1cc([S-])cs1	236635074	344790384	/nfs/dbraw/zinc/79/03/84/344790384.db2.gz	WYOICIIZMOZFDW-UHFFFAOYSA-N	-1	3	197.284	1.400	10	30		ADEEHM
C=CCCc1cc(=O)[n-]c(=S)[nH]1	238064418	344792427	/nfs/dbraw/zinc/79/24/27/344792427.db2.gz	MZJMQJCXWUHGBS-UHFFFAOYSA-N	-1	3	182.248	1.551	10	30		ADEEHM
CCCCC[C@H](O)/C=N/[O-]	238239833	344796969	/nfs/dbraw/zinc/79/69/69/344796969.db2.gz	ANLUDECFANOTOE-DGUDBNDOSA-N	-1	3	145.202	1.388	10	30		ADEEHM
CCOC(=O)c1c([O-])cccc1C#N	238302111	344799885	/nfs/dbraw/zinc/79/98/85/344799885.db2.gz	ZXNVQUNCPNIDLM-UHFFFAOYSA-N	-1	3	191.186	1.441	10	30		ADEEHM
Cc1cc([O-])c(C)c(C#N)c1	238467709	344808073	/nfs/dbraw/zinc/80/80/73/344808073.db2.gz	ZDQBFSUXGSTPET-UHFFFAOYSA-N	-1	3	147.177	1.881	10	30		ADEEHM
Cc1cc(C#N)cc([O-])c1C	238479603	344808708	/nfs/dbraw/zinc/80/87/08/344808708.db2.gz	JXKKXKZCGBFOAI-UHFFFAOYSA-N	-1	3	147.177	1.881	10	30		ADEEHM
Cc1ccc([O-])c(C#N)c1C	238522367	344810501	/nfs/dbraw/zinc/81/05/01/344810501.db2.gz	MOUFFQPVISGTGB-UHFFFAOYSA-N	-1	3	147.177	1.881	10	30		ADEEHM
N#Cc1cccc2c([O-])coc12	238608559	344815684	/nfs/dbraw/zinc/81/56/84/344815684.db2.gz	CPFFOAQMOVVJBK-UHFFFAOYSA-N	-1	3	159.144	1.133	10	30		ADEEHM
N#CCc1cc([O-])cc(C#N)c1	238684277	344818952	/nfs/dbraw/zinc/81/89/52/344818952.db2.gz	HOMLPOSXMSDFQX-UHFFFAOYSA-N	-1	3	158.160	1.330	10	30		ADEEHM
N#Cc1ccc2cc([O-])cnc2c1	238692527	344819315	/nfs/dbraw/zinc/81/93/15/344819315.db2.gz	HBRJGVIARJWBMM-UHFFFAOYSA-N	-1	3	170.171	1.812	10	30		ADEEHM
N#CCc1cc([O-])cc(F)c1	238697996	344820046	/nfs/dbraw/zinc/82/00/46/344820046.db2.gz	YPDCRCZFZOSUMK-UHFFFAOYSA-N	-1	3	151.140	1.597	10	30		ADEEHM
C#Cc1ccc([O-])c(C#N)c1	238711837	344821227	/nfs/dbraw/zinc/82/12/27/344821227.db2.gz	QZFPNJDTPNFACQ-UHFFFAOYSA-N	-1	3	143.145	1.245	10	30		ADEEHM
N#Cc1ccc([O-])c(OC(F)F)c1	238712213	344821230	/nfs/dbraw/zinc/82/12/30/344821230.db2.gz	ZSXSJLQOJGXPND-UHFFFAOYSA-N	-1	3	185.129	1.865	10	30		ADEEHM
N#CCc1ccc([O-])cc1C#N	238715126	344821236	/nfs/dbraw/zinc/82/12/36/344821236.db2.gz	MFLHJEVZMKQLKF-UHFFFAOYSA-N	-1	3	158.160	1.330	10	30		ADEEHM
N#CCc1c([O-])cccc1C#N	238723360	344821549	/nfs/dbraw/zinc/82/15/49/344821549.db2.gz	SGEPEJQJKPOZDG-UHFFFAOYSA-N	-1	3	158.160	1.330	10	30		ADEEHM
N#Cc1cc([O-])ccc1OC(F)F	238721318	344821571	/nfs/dbraw/zinc/82/15/71/344821571.db2.gz	NLBSHZJVVYCEPC-UHFFFAOYSA-N	-1	3	185.129	1.865	10	30		ADEEHM
N#Cc1cccc([O-])c1OC(F)F	238723398	344821633	/nfs/dbraw/zinc/82/16/33/344821633.db2.gz	HRGFFUFPUGNXCR-UHFFFAOYSA-N	-1	3	185.129	1.865	10	30		ADEEHM
N#Cc1cc(OC(F)F)ccc1[O-]	238721397	344821677	/nfs/dbraw/zinc/82/16/77/344821677.db2.gz	WRHVBBBUYDFIJS-UHFFFAOYSA-N	-1	3	185.129	1.865	10	30		ADEEHM
C=CCOc1ccc([O-])c(C=O)c1	238721488	344821686	/nfs/dbraw/zinc/82/16/86/344821686.db2.gz	BLTLQUJPPMIUIY-UHFFFAOYSA-N	-1	3	178.187	1.770	10	30		ADEEHM
N#Cc1c([O-])cccc1OC(F)F	238725379	344822050	/nfs/dbraw/zinc/82/20/50/344822050.db2.gz	RPYPADCBDBDAPS-UHFFFAOYSA-N	-1	3	185.129	1.865	10	30		ADEEHM
N#CCc1cccc([O-])c1F	238723982	344822083	/nfs/dbraw/zinc/82/20/83/344822083.db2.gz	JMKNPZCPLOWEMJ-UHFFFAOYSA-N	-1	3	151.140	1.597	10	30		ADEEHM
COC(=O)c1c([O-])ccc(C#N)c1C	238802541	344822796	/nfs/dbraw/zinc/82/27/96/344822796.db2.gz	WWUACPAHADEEON-UHFFFAOYSA-N	-1	3	191.186	1.359	10	30		ADEEHM
CCOc1cccc(C=N[O-])c1	250526519	344835612	/nfs/dbraw/zinc/83/56/12/344835612.db2.gz	XPNGUTFZPFILTJ-UHFFFAOYSA-N	-1	3	165.192	1.893	10	30		ADEEHM
C/N=C1/SC[C@@](C)(C=N[O-])S1	252590886	344903862	/nfs/dbraw/zinc/90/38/62/344903862.db2.gz	AWQLUGJVIRKDEB-MRKWRQCWSA-N	-1	3	190.293	1.671	10	30		ADEEHM
CCOc1ccc(C=N[O-])cc1	252364651	344893730	/nfs/dbraw/zinc/89/37/30/344893730.db2.gz	RVWVABYZHRUUEC-UHFFFAOYSA-N	-1	3	165.192	1.893	10	30		ADEEHM
CCOc1ccc(C=N[O-])cc1OC	252364460	344893749	/nfs/dbraw/zinc/89/37/49/344893749.db2.gz	IMUTXONCNANTKW-UHFFFAOYSA-N	-1	3	195.218	1.902	10	30		ADEEHM
CC(=O)Nc1ccc(C=N[O-])cc1	252370130	344894469	/nfs/dbraw/zinc/89/44/69/344894469.db2.gz	SZGJLXKFWSTIKP-UHFFFAOYSA-N	-1	3	178.191	1.453	10	30		ADEEHM
[O-]N=Cc1cnc2ccccc2n1	252390649	344894475	/nfs/dbraw/zinc/89/44/75/344894475.db2.gz	HVEUVILQUUKSFP-UHFFFAOYSA-N	-1	3	173.175	1.438	10	30		ADEEHM
Cc1cccc(C=N[O-])c1	252370165	344894623	/nfs/dbraw/zinc/89/46/23/344894623.db2.gz	YJZULDSAOHKEMO-UHFFFAOYSA-N	-1	3	135.166	1.803	10	30		ADEEHM
CC(=N[O-])c1ccc2c(c1)OCCO2	252370088	344894652	/nfs/dbraw/zinc/89/46/52/344894652.db2.gz	OVZBNCGFDLVCLL-UHFFFAOYSA-N	-1	3	193.202	1.656	10	30		ADEEHM
Cc1cc(C=N[O-])ccc1F	252440467	344896902	/nfs/dbraw/zinc/89/69/02/344896902.db2.gz	LNCVAJPROYZHPO-UHFFFAOYSA-N	-1	3	153.156	1.942	10	30		ADEEHM
C/N=C1\SC[C@@](C)(C=N[O-])S1	252590885	344903502	/nfs/dbraw/zinc/90/35/02/344903502.db2.gz	AWQLUGJVIRKDEB-KJTPYSEXSA-N	-1	3	190.293	1.671	10	30		ADEEHM
C/N=C1/SC[C@](C)(C=N[O-])S1	252590887	344903724	/nfs/dbraw/zinc/90/37/24/344903724.db2.gz	AWQLUGJVIRKDEB-XRIYKWMHSA-N	-1	3	190.293	1.671	10	30		ADEEHM
C/N=C1\SC[C@](C)(C=N[O-])S1	252590884	344903867	/nfs/dbraw/zinc/90/38/67/344903867.db2.gz	AWQLUGJVIRKDEB-CQPQXYRLSA-N	-1	3	190.293	1.671	10	30		ADEEHM
C[C@]1(C=N[O-])CSC(=NO)S1	252604461	344904194	/nfs/dbraw/zinc/90/41/94/344904194.db2.gz	FZXAUQGVQWPGAR-YFKPBYRVSA-N	-1	3	192.265	1.430	10	30		ADEEHM
C[C@@]1(C=N[O-])CSC(=NO)S1	252604458	344904227	/nfs/dbraw/zinc/90/42/27/344904227.db2.gz	FZXAUQGVQWPGAR-RXMQYKEDSA-N	-1	3	192.265	1.430	10	30		ADEEHM
Cc1cc2c([nH]1)C=CC(=N[O-])C2=NO	252634999	344905713	/nfs/dbraw/zinc/90/57/13/344905713.db2.gz	WSWIXIKKOATKGC-UHFFFAOYSA-N	-1	3	191.190	1.358	10	30		ADEEHM
Cc1cc2c([nH]1)C=CC(=NO)C2=N[O-]	252634999	344905716	/nfs/dbraw/zinc/90/57/16/344905716.db2.gz	WSWIXIKKOATKGC-UHFFFAOYSA-N	-1	3	191.190	1.358	10	30		ADEEHM
CC(C)(C)C(Cn1cccn1)=N[O-]	254290998	344935480	/nfs/dbraw/zinc/93/54/80/344935480.db2.gz	BWXVWKXPUPYLTK-UHFFFAOYSA-N	-1	3	181.239	1.759	10	30		ADEEHM
[O-]N=C1C(=NO)CCc2ccccc21	254399369	344935886	/nfs/dbraw/zinc/93/58/86/344935886.db2.gz	SEQLOHNTZITNBC-UHFFFAOYSA-N	-1	3	190.202	1.641	10	30		ADEEHM
CCn1ccc(C(C)=N[O-])n1	254558398	344935931	/nfs/dbraw/zinc/93/59/31/344935931.db2.gz	HBGQPRHSTOKDGN-UHFFFAOYSA-N	-1	3	153.185	1.101	10	30		ADEEHM
COc1ccc(C(=O)CC=N[O-])cc1	254484535	344936046	/nfs/dbraw/zinc/93/60/46/344936046.db2.gz	FAXFBDZYCOLREL-UHFFFAOYSA-N	-1	3	193.202	1.728	10	30		ADEEHM
CC(C)(C)C=C=CC(=O)c1cnn[n-]1	300781728	344996779	/nfs/dbraw/zinc/99/67/79/344996779.db2.gz	RQSPDZAUVALKSK-UHFFFAOYSA-N	-1	3	191.234	1.427	10	30		ADEEHM
CC(C)(C)C=C=CC(=O)c1c[n-]nn1	300781728	344996780	/nfs/dbraw/zinc/99/67/80/344996780.db2.gz	RQSPDZAUVALKSK-UHFFFAOYSA-N	-1	3	191.234	1.427	10	30		ADEEHM
CC(C)(C)C=C=CC(=O)c1cn[n-]n1	300781728	344996781	/nfs/dbraw/zinc/99/67/81/344996781.db2.gz	RQSPDZAUVALKSK-UHFFFAOYSA-N	-1	3	191.234	1.427	10	30		ADEEHM
CC(=O)c1cc(Cl)ncc1[O-]	306152296	345042832	/nfs/dbraw/zinc/04/28/32/345042832.db2.gz	ANSGURFMMFNKTC-SNAWJCMRSA-N	-1	3	171.583	1.552	10	30		ADEEHM
CC([O-])=C1C=C(Cl)N=CC1=O	306152296	345042835	/nfs/dbraw/zinc/04/28/35/345042835.db2.gz	ANSGURFMMFNKTC-SNAWJCMRSA-N	-1	3	171.583	1.552	10	30		ADEEHM
CCC[C@@H]1OCCC[C@H]1C(=O)N[O-]	306161195	345052286	/nfs/dbraw/zinc/05/22/86/345052286.db2.gz	PWYANJXTULTWSS-SFYZADRCSA-N	-1	3	187.239	1.087	10	30		ADEEHM
CCC[C@H]1OCCC[C@H]1C(=O)N[O-]	306161186	345052305	/nfs/dbraw/zinc/05/23/05/345052305.db2.gz	PWYANJXTULTWSS-HTQZYQBOSA-N	-1	3	187.239	1.087	10	30		ADEEHM
CCC[C@H]1OCCC[C@@H]1C(=O)N[O-]	306161191	345052321	/nfs/dbraw/zinc/05/23/21/345052321.db2.gz	PWYANJXTULTWSS-JGVFFNPUSA-N	-1	3	187.239	1.087	10	30		ADEEHM
CCC[C@@H]1OCCC[C@@H]1C(=O)N[O-]	306161201	345052361	/nfs/dbraw/zinc/05/23/61/345052361.db2.gz	PWYANJXTULTWSS-YUMQZZPRSA-N	-1	3	187.239	1.087	10	30		ADEEHM
C#Cc1cc(=O)[n-]c(C(C)C)n1	306164133	345055576	/nfs/dbraw/zinc/05/55/76/345055576.db2.gz	BOFLXXWJYGFRQX-UHFFFAOYSA-N	-1	3	162.192	1.287	10	30		ADEEHM
CN/N=C(/C)c1ccc(C)cc1[O-]	306167022	345057818	/nfs/dbraw/zinc/05/78/18/345057818.db2.gz	VFESDDBNDHZWAT-WQLSENKSSA-N	-1	3	178.235	1.644	10	30		ADEEHM
CC/C(=N/N)c1ccc([O-])c(F)c1	306170301	345061464	/nfs/dbraw/zinc/06/14/64/345061464.db2.gz	JYXRDBMUCDIRGG-WQLSENKSSA-N	-1	3	182.198	1.604	10	30		ADEEHM
[O-]c1cc(O)ccc1/C=N/C1CC1	306179794	345071547	/nfs/dbraw/zinc/07/15/47/345071547.db2.gz	RGETVOUMGJFEMJ-IZZDOVSWSA-N	-1	3	177.203	1.679	10	30		ADEEHM
O=C(N[O-])C1(C(F)F)CCCCC1	306179775	345071551	/nfs/dbraw/zinc/07/15/51/345071551.db2.gz	REDWYTCQLGVRLL-UHFFFAOYSA-N	-1	3	193.193	1.707	10	30		ADEEHM
C#CCON=c1cc(Cl)[n-]cn1	306181633	345072791	/nfs/dbraw/zinc/07/27/91/345072791.db2.gz	QQVQQGMZMSBCQX-UHFFFAOYSA-N	-1	3	183.598	1.107	10	30		ADEEHM
C#Cc1nc(C(C)C)[n-]c(=O)c1C	306204732	345093945	/nfs/dbraw/zinc/09/39/45/345093945.db2.gz	QOPFJWHECJXSGG-UHFFFAOYSA-N	-1	3	176.219	1.595	10	30		ADEEHM
N/N=C1/CCc2c1ccc([O-])c2F	306206241	345095625	/nfs/dbraw/zinc/09/56/25/345095625.db2.gz	ZYOCSTOREOPMFU-GHXNOFRVSA-N	-1	3	180.182	1.140	10	30		ADEEHM
C#CCON=c1nc[n-]c(Cl)c1C	306207840	345097009	/nfs/dbraw/zinc/09/70/09/345097009.db2.gz	RDJBBIXKBLYIKL-UHFFFAOYSA-N	-1	3	197.625	1.415	10	30		ADEEHM
C#CCON=c1cc(C)[n-]c(Cl)n1	306209435	345098793	/nfs/dbraw/zinc/09/87/93/345098793.db2.gz	SNIZUSBCQCREJT-UHFFFAOYSA-N	-1	3	197.625	1.415	10	30		ADEEHM
C#CC(=O)Nc1cc(F)ccc1[O-]	306220320	345113021	/nfs/dbraw/zinc/11/30/21/345113021.db2.gz	HRSQYMXVUHJXLE-UHFFFAOYSA-N	-1	3	179.150	1.103	10	30		ADEEHM
N#CCNCc1cc(Cl)ccc1[O-]	306228144	345121216	/nfs/dbraw/zinc/12/12/16/345121216.db2.gz	HUFGPYSOOOEYNO-UHFFFAOYSA-N	-1	3	196.637	1.659	10	30		ADEEHM
O=C(N[O-])[C@H]1CCc2ccccc21	306242753	345134967	/nfs/dbraw/zinc/13/49/67/345134967.db2.gz	SQAQOMVWJXJCQU-VIFPVBQESA-N	-1	3	177.203	1.222	10	30		ADEEHM
O=C(N[O-])[C@@H]1CCc2ccccc21	306242752	345135003	/nfs/dbraw/zinc/13/50/03/345135003.db2.gz	SQAQOMVWJXJCQU-SECBINFHSA-N	-1	3	177.203	1.222	10	30		ADEEHM
CO/N=C(/C)c1ccccc1[O-]	306273322	345160996	/nfs/dbraw/zinc/16/09/96/345160996.db2.gz	ZBTUZVMTIFTBBX-YFHOEESVSA-N	-1	3	165.192	1.763	10	30		ADEEHM
C=C(c1cnc[n-]c1=O)C(F)(F)F	306300723	345180925	/nfs/dbraw/zinc/18/09/25/345180925.db2.gz	LXKVEENKAJCTII-UHFFFAOYSA-N	-1	3	190.124	1.758	10	30		ADEEHM
C#CC(=O)Nc1c(C)cccc1[O-]	306303222	345182885	/nfs/dbraw/zinc/18/28/85/345182885.db2.gz	HHBPTXPUNCDNOD-UHFFFAOYSA-N	-1	3	175.187	1.272	10	30		ADEEHM
C#Cc1[n-]c(=S)ncc1F	306303327	345183341	/nfs/dbraw/zinc/18/33/41/345183341.db2.gz	COCSZLMIYARASV-UHFFFAOYSA-N	-1	3	154.169	1.260	10	30		ADEEHM
Cc1cccc(Cl)c1CC(=O)N[O-]	306309567	345188723	/nfs/dbraw/zinc/18/87/23/345188723.db2.gz	LOXLJBYZJIJXAX-UHFFFAOYSA-N	-1	3	199.637	1.696	10	30		ADEEHM
C/C(=N/N)c1c([O-])cccc1Cl	306324796	345202058	/nfs/dbraw/zinc/20/20/58/345202058.db2.gz	LGFGNYOXDCTBIW-WZUFQYTHSA-N	-1	3	184.626	1.728	10	30		ADEEHM
C#Cc1cc(=O)[n-]c(CCC)n1	306330939	345208132	/nfs/dbraw/zinc/20/81/32/345208132.db2.gz	FHEFEZBMUZELAP-UHFFFAOYSA-N	-1	3	162.192	1.116	10	30		ADEEHM
CO/N=C/c1nc(C)ccc1[O-]	306352735	345225617	/nfs/dbraw/zinc/22/56/17/345225617.db2.gz	IDKLCVYKEIYXBQ-WEVVVXLNSA-N	-1	3	166.180	1.076	10	30		ADEEHM
CC(C)C(C(=O)N[O-])C(C)C	306358436	345229347	/nfs/dbraw/zinc/22/93/47/345229347.db2.gz	YVCAOMNYTANHRP-UHFFFAOYSA-N	-1	3	159.229	1.420	10	30		ADEEHM
CC(=N)NN=Cc1ccccc1[O-]	306385331	345250450	/nfs/dbraw/zinc/25/04/50/345250450.db2.gz	FTKHKNYKOPXWRA-IZZDOVSWSA-N	-1	3	177.207	1.103	10	30		ADEEHM
Cc1ccc(C(=O)NO)c([O-])c1C	306404578	345264490	/nfs/dbraw/zinc/26/44/90/345264490.db2.gz	IFAOFRUURNAIQC-UHFFFAOYSA-N	-1	3	181.191	1.128	10	30		ADEEHM
C#Cc1ccc([O-])cc1F	306426673	345284152	/nfs/dbraw/zinc/28/41/52/345284152.db2.gz	AXSZYHVFQMYKSF-UHFFFAOYSA-N	-1	3	136.125	1.513	10	30		ADEEHM
CNN=C(C)c1ccccc1[O-]	306457549	345316974	/nfs/dbraw/zinc/31/69/74/345316974.db2.gz	VNSQRUYHKJSFKF-XFFZJAGNSA-N	-1	3	164.208	1.336	10	30		ADEEHM
Cc1cc(Cl)cc(/C=N/N)c1[O-]	306457988	345317425	/nfs/dbraw/zinc/31/74/25/345317425.db2.gz	XILHOYPIQCKJBE-NYYWCZLTSA-N	-1	3	184.626	1.647	10	30		ADEEHM
Cc1nc(Cl)sc1C(=O)N[O-]	306460912	345320275	/nfs/dbraw/zinc/32/02/75/345320275.db2.gz	IKEXCJJYXTVNAU-UHFFFAOYSA-N	-1	3	192.627	1.224	10	30		ADEEHM
N#CC(F)(F)C(=O)[N-]C1CCCC1	306465382	345326005	/nfs/dbraw/zinc/32/60/05/345326005.db2.gz	IRVUEZCFVCMNGB-UHFFFAOYSA-N	-1	3	188.177	1.204	10	30		ADEEHM
C#Cc1[n-]c(=S)ncc1C	306472113	345335812	/nfs/dbraw/zinc/33/58/12/345335812.db2.gz	SPPSTUCWVNGWQB-UHFFFAOYSA-N	-1	3	150.206	1.429	10	30		ADEEHM
CN/N=C(/C)c1cc(F)ccc1[O-]	306473836	345338249	/nfs/dbraw/zinc/33/82/49/345338249.db2.gz	VMEFCTRETYPBNO-SDQBBNPISA-N	-1	3	182.198	1.475	10	30		ADEEHM
CCC(=O)C(Br)=C[O-]	306478269	345344357	/nfs/dbraw/zinc/34/43/57/345344357.db2.gz	BNJLENPOZOIVPJ-ARJAWSKDSA-N	-1	3	179.013	1.760	10	30		ADEEHM
CCC([O-])=C(Br)C=O	306478269	345344358	/nfs/dbraw/zinc/34/43/58/345344358.db2.gz	BNJLENPOZOIVPJ-ARJAWSKDSA-N	-1	3	179.013	1.760	10	30		ADEEHM
O=C(N[O-])[C@@H]1C[C@H]1C1CCCCC1	306514519	345385352	/nfs/dbraw/zinc/38/53/52/345385352.db2.gz	AKHVKILFHSWSJM-DTWKUNHWSA-N	-1	3	183.251	1.708	10	30		ADEEHM
O=C(N[O-])[C@H]1C[C@@H]1C1CCCCC1	306514518	345385503	/nfs/dbraw/zinc/38/55/03/345385503.db2.gz	AKHVKILFHSWSJM-BDAKNGLRSA-N	-1	3	183.251	1.708	10	30		ADEEHM
O=C(N[O-])[C@H]1C[C@H]1C1CCCCC1	306514520	345385553	/nfs/dbraw/zinc/38/55/53/345385553.db2.gz	AKHVKILFHSWSJM-IUCAKERBSA-N	-1	3	183.251	1.708	10	30		ADEEHM
N#Cc1[n-]ccc(=O)c1Cl	306516180	345387520	/nfs/dbraw/zinc/38/75/20/345387520.db2.gz	BCICTIJVJMKQOZ-UHFFFAOYSA-N	-1	3	154.556	1.312	10	30		ADEEHM
CSc1ccc(C(=O)NO)c([O-])c1	306517455	345388700	/nfs/dbraw/zinc/38/87/00/345388700.db2.gz	AGVBDOBGUIWPKW-UHFFFAOYSA-N	-1	3	199.231	1.233	10	30		ADEEHM
C#CC(=O)Nc1cccc([O-])c1F	306520673	345391908	/nfs/dbraw/zinc/39/19/08/345391908.db2.gz	LCOHFRRKQXBEEO-UHFFFAOYSA-N	-1	3	179.150	1.103	10	30		ADEEHM
Cc1ccccc1NCCC(=O)N[O-]	306545445	345420062	/nfs/dbraw/zinc/42/00/62/345420062.db2.gz	VXJLOCNVHYJARX-UHFFFAOYSA-N	-1	3	194.234	1.302	10	30		ADEEHM
CCN([O-])C(=O)c1ccc(N)c(C)c1	306562271	345437947	/nfs/dbraw/zinc/43/79/47/345437947.db2.gz	CGCWOOMAUPUJRH-UHFFFAOYSA-N	-1	3	194.234	1.429	10	30		ADEEHM
CN([O-])C(=O)c1ccc2[nH]cnc2c1	306564149	345440110	/nfs/dbraw/zinc/44/01/10/345440110.db2.gz	DPZBAXIYUVXWED-UHFFFAOYSA-N	-1	3	191.190	1.024	10	30		ADEEHM
CN([O-])C(=O)c1ccc2c[nH]nc2c1	306564717	345440819	/nfs/dbraw/zinc/44/08/19/345440819.db2.gz	DYEOZWKOPQHUAI-UHFFFAOYSA-N	-1	3	191.190	1.024	10	30		ADEEHM
Cc1ccc(C(=O)N(C)[O-])c(F)c1	306564835	345441220	/nfs/dbraw/zinc/44/12/20/345441220.db2.gz	FDRYBYUSPFWNQQ-UHFFFAOYSA-N	-1	3	183.182	1.595	10	30		ADEEHM
CCN([O-])C(=O)c1ccco1	306565665	345441703	/nfs/dbraw/zinc/44/17/03/345441703.db2.gz	FQUOXWROYXSYMP-UHFFFAOYSA-N	-1	3	155.153	1.131	10	30		ADEEHM
CCN([O-])C(=O)c1cccc(F)n1	306566036	345442561	/nfs/dbraw/zinc/44/25/61/345442561.db2.gz	FULAWYGQHSJPDF-UHFFFAOYSA-N	-1	3	184.170	1.072	10	30		ADEEHM
O=C(N[O-])C(=O)c1ccc(Cl)cc1	306570122	345447233	/nfs/dbraw/zinc/44/72/33/345447233.db2.gz	MJXUVNAFZVDZCP-UHFFFAOYSA-N	-1	3	199.593	1.028	10	30		ADEEHM
CN([O-])C(=O)/C=C/c1ccc(N)cc1	306574707	345452094	/nfs/dbraw/zinc/45/20/94/345452094.db2.gz	IZLDMLKQHPCFHJ-QPJJXVBHSA-N	-1	3	192.218	1.130	10	30		ADEEHM
Cc1ccc(F)c(C(=O)N(C)[O-])c1	306579925	345457410	/nfs/dbraw/zinc/45/74/10/345457410.db2.gz	NLHOKKQGJXEQQK-UHFFFAOYSA-N	-1	3	183.182	1.595	10	30		ADEEHM
CN([O-])C(=O)[C@@H]1CNc2ccccc21	306582819	345459984	/nfs/dbraw/zinc/45/99/84/345459984.db2.gz	PJLWLNWMHRUKDN-MRVPVSSYSA-N	-1	3	192.218	1.043	10	30		ADEEHM
CN([O-])C(=O)[C@H]1CNc2ccccc21	306582820	345460084	/nfs/dbraw/zinc/46/00/84/345460084.db2.gz	PJLWLNWMHRUKDN-QMMMGPOBSA-N	-1	3	192.218	1.043	10	30		ADEEHM
C/C(=N\N)c1cc(Cl)ccc1[O-]	306583437	345460649	/nfs/dbraw/zinc/46/06/49/345460649.db2.gz	QXNAZCHAKWSVCK-VZUCSPMQSA-N	-1	3	184.626	1.728	10	30		ADEEHM
CCN([O-])C(=O)c1ccnc(F)c1	306589911	345467225	/nfs/dbraw/zinc/46/72/25/345467225.db2.gz	UTVFVEVNEKPXLH-UHFFFAOYSA-N	-1	3	184.170	1.072	10	30		ADEEHM
CCN([O-])C(=O)c1ccc(F)c(C)c1	306597545	345473771	/nfs/dbraw/zinc/47/37/71/345473771.db2.gz	ZOYQQMWXKDYIEI-UHFFFAOYSA-N	-1	3	197.209	1.985	10	30		ADEEHM
COC(=O)c1ccc(C)c([O-])c1C#N	306610919	345485242	/nfs/dbraw/zinc/48/52/42/345485242.db2.gz	FPEXKEGMPBOHKM-UHFFFAOYSA-N	-1	3	191.186	1.359	10	30		ADEEHM
COC(=O)c1cc([O-])cc(C#N)c1C	306618427	345491697	/nfs/dbraw/zinc/49/16/97/345491697.db2.gz	SIAQJEIVNAYYTA-UHFFFAOYSA-N	-1	3	191.186	1.359	10	30		ADEEHM
COC(=O)c1c([O-])ccc(F)c1C#N	306619774	345492894	/nfs/dbraw/zinc/49/28/94/345492894.db2.gz	VTKVBBOVBYALBA-UHFFFAOYSA-N	-1	3	195.149	1.190	10	30		ADEEHM
CO/N=C/c1cc([O-])cc(F)c1	306624193	345495732	/nfs/dbraw/zinc/49/57/32/345495732.db2.gz	FPJKEWPZCDRATC-BJMVGYQFSA-N	-1	3	169.155	1.512	10	30		ADEEHM
O=C(N[O-])c1sccc1F	306631947	345501482	/nfs/dbraw/zinc/50/14/82/345501482.db2.gz	ASIQENDPRGTRTD-UHFFFAOYSA-N	-1	3	161.157	1.006	10	30		ADEEHM
Cn1[n-]cc/c1=N\N=C1CCCC1	306635311	345503690	/nfs/dbraw/zinc/50/36/90/345503690.db2.gz	ZKIFGWOJNSGFMR-FMIVXFBMSA-N	-1	3	178.239	1.184	10	30		ADEEHM
C#Cc1cc(=O)[n-]c(C(C)(C)C)n1	306637593	345505829	/nfs/dbraw/zinc/50/58/29/345505829.db2.gz	FPCXWNZKGYGFDC-UHFFFAOYSA-N	-1	3	176.219	1.461	10	30		ADEEHM
CN([O-])C(=O)c1ccccc1F	306645409	345514254	/nfs/dbraw/zinc/51/42/54/345514254.db2.gz	OIFPIYGKQAJYQY-UHFFFAOYSA-N	-1	3	169.155	1.287	10	30		ADEEHM
CN([O-])C(=O)c1cccnc1Cl	306647108	345515638	/nfs/dbraw/zinc/51/56/38/345515638.db2.gz	PDCYPDXHZGQNGF-UHFFFAOYSA-N	-1	3	186.598	1.196	10	30		ADEEHM
C=C(c1n[n-]c(=O)s1)C(F)(F)F	306661470	345525742	/nfs/dbraw/zinc/52/57/42/345525742.db2.gz	RUYVRSDYDWAOKC-UHFFFAOYSA-N	-1	3	196.153	1.407	10	30		ADEEHM
COC(=O)c1c([O-])cc(C)cc1C#N	306661662	345525805	/nfs/dbraw/zinc/52/58/05/345525805.db2.gz	SDVRIWDTGCRYEF-UHFFFAOYSA-N	-1	3	191.186	1.359	10	30		ADEEHM
COC(=O)c1ccc(C)c(C#N)c1[O-]	306666151	345529330	/nfs/dbraw/zinc/52/93/30/345529330.db2.gz	ZAWQVOBWNXBWPS-UHFFFAOYSA-N	-1	3	191.186	1.359	10	30		ADEEHM
C#Cc1nc(CCC)[n-]c(=O)c1C	306667947	345530842	/nfs/dbraw/zinc/53/08/42/345530842.db2.gz	FCWFSBHHBRXDEM-UHFFFAOYSA-N	-1	3	176.219	1.424	10	30		ADEEHM
COC(=O)c1cc([O-])c(C)c(C#N)c1	306670272	345532451	/nfs/dbraw/zinc/53/24/51/345532451.db2.gz	CLRMXUQHWWEANW-UHFFFAOYSA-N	-1	3	191.186	1.359	10	30		ADEEHM
CCC/N=C/c1ccc(O)cc1[O-]	306678068	345540495	/nfs/dbraw/zinc/54/04/95/345540495.db2.gz	AZDSNUNRAGJXHH-YRNVUSSQSA-N	-1	3	179.219	1.927	10	30		ADEEHM
C[C@H](CO)/N=C/c1ccccc1[O-]	306683879	345545010	/nfs/dbraw/zinc/54/50/10/345545010.db2.gz	XTCUOZMIMHHYQZ-JMUHATKESA-N	-1	3	179.219	1.192	10	30		ADEEHM
C[C@@H](CO)/N=C/c1ccccc1[O-]	306683880	345545219	/nfs/dbraw/zinc/54/52/19/345545219.db2.gz	XTCUOZMIMHHYQZ-KIFNTFBYSA-N	-1	3	179.219	1.192	10	30		ADEEHM
[O-]/N=C/c1cc(O)c(O)c(Cl)c1	306702318	345556978	/nfs/dbraw/zinc/55/69/78/345556978.db2.gz	ADIYZBHMGLZYAD-YCRREMRBSA-N	-1	3	187.582	1.559	10	30		ADEEHM
CN/N=C(/C)c1ccc(O)cc1[O-]	306760690	345596546	/nfs/dbraw/zinc/59/65/46/345596546.db2.gz	RBXFLMLLEISCNR-WDZFZDKYSA-N	-1	3	180.207	1.041	10	30		ADEEHM
CN([O-])C(=O)c1ccnc(Cl)c1	306788899	345615905	/nfs/dbraw/zinc/61/59/05/345615905.db2.gz	XOLLFFGKMYFYSP-UHFFFAOYSA-N	-1	3	186.598	1.196	10	30		ADEEHM
COC(=O)c1cc(C)cc([O-])c1C#N	306814282	345631773	/nfs/dbraw/zinc/63/17/73/345631773.db2.gz	ASDNWXRJSRUQDL-UHFFFAOYSA-N	-1	3	191.186	1.359	10	30		ADEEHM
C[C@@]1(C(=O)N[O-])CC1(Cl)Cl	306819093	345634501	/nfs/dbraw/zinc/63/45/01/345634501.db2.gz	GNLIJZBVDWUALF-BYPYZUCNSA-N	-1	3	184.022	1.076	10	30		ADEEHM
C[C@]1(C(=O)N[O-])CC1(Cl)Cl	306819094	345634530	/nfs/dbraw/zinc/63/45/30/345634530.db2.gz	GNLIJZBVDWUALF-SCSAIBSYSA-N	-1	3	184.022	1.076	10	30		ADEEHM
C[C@H]([N-]C(=O)C(F)(F)C#N)C1CC1	306826529	345641445	/nfs/dbraw/zinc/64/14/45/345641445.db2.gz	ZQIZXEYKWVFJCC-YFKPBYRVSA-N	-1	3	188.177	1.060	10	30		ADEEHM
C[C@@H]([N-]C(=O)C(F)(F)C#N)C1CC1	306826528	345641469	/nfs/dbraw/zinc/64/14/69/345641469.db2.gz	ZQIZXEYKWVFJCC-RXMQYKEDSA-N	-1	3	188.177	1.060	10	30		ADEEHM
O=C1C=C([O-])[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]12	306828154	345642405	/nfs/dbraw/zinc/64/24/05/345642405.db2.gz	FJTCWKUCNYGDQY-MLTZYSBQSA-N	-1	3	162.188	1.449	10	30		ADEEHM
COC(=O)c1ccc(C#N)c([O-])c1C	306834442	345646585	/nfs/dbraw/zinc/64/65/85/345646585.db2.gz	RIDBHWDRQHGXKN-UHFFFAOYSA-N	-1	3	191.186	1.359	10	30		ADEEHM
[O-]/N=C/c1ccc2cccnc2n1	306850980	345657329	/nfs/dbraw/zinc/65/73/29/345657329.db2.gz	PQDQNZMORONYDE-IZZDOVSWSA-N	-1	3	173.175	1.438	10	30		ADEEHM
CN([O-])C(=O)c1cccc(F)c1F	306851686	345657908	/nfs/dbraw/zinc/65/79/08/345657908.db2.gz	QSNJQEJQHLWBQV-UHFFFAOYSA-N	-1	3	187.145	1.426	10	30		ADEEHM
C#CCON=c1cccc(Cl)[n-]1	306856073	345660461	/nfs/dbraw/zinc/66/04/61/345660461.db2.gz	WQZLQVXNEFYLGZ-UHFFFAOYSA-N	-1	3	182.610	1.712	10	30		ADEEHM
C#CC(C)(C)[N-]C(=O)C(C)(F)F	306860611	345664117	/nfs/dbraw/zinc/66/41/17/345664117.db2.gz	FENNSWWUAVXFDZ-UHFFFAOYSA-N	-1	3	175.178	1.170	10	30		ADEEHM
C#Cc1nc[n-]c(=O)c1CCC	306891961	345688284	/nfs/dbraw/zinc/68/82/84/345688284.db2.gz	IDYXSIWEYBFGJZ-UHFFFAOYSA-N	-1	3	162.192	1.116	10	30		ADEEHM
COC(=O)c1ccc([O-])c(C)c1C#N	306895841	345689390	/nfs/dbraw/zinc/68/93/90/345689390.db2.gz	NURORPWTSZLXPF-UHFFFAOYSA-N	-1	3	191.186	1.359	10	30		ADEEHM
C/C(=N/N)c1cc(Cl)ccc1[O-]	306926745	345702535	/nfs/dbraw/zinc/70/25/35/345702535.db2.gz	QXNAZCHAKWSVCK-WZUFQYTHSA-N	-1	3	184.626	1.728	10	30		ADEEHM
COC(=O)c1c(C)ccc(C#N)c1[O-]	306935222	345706795	/nfs/dbraw/zinc/70/67/95/345706795.db2.gz	IDTJZOQSADJKFV-UHFFFAOYSA-N	-1	3	191.186	1.359	10	30		ADEEHM
COC(=O)c1c(C)ccc([O-])c1C#N	306939630	345708932	/nfs/dbraw/zinc/70/89/32/345708932.db2.gz	OKKXLPSJZRHAMB-UHFFFAOYSA-N	-1	3	191.186	1.359	10	30		ADEEHM
CO/N=C(/C)c1ccc(O)cc1[O-]	306967092	345723802	/nfs/dbraw/zinc/72/38/02/345723802.db2.gz	MGINHLBOWIDVQM-POHAHGRESA-N	-1	3	181.191	1.468	10	30		ADEEHM
COC(=O)c1cc(F)cc(C#N)c1[O-]	306967899	345724322	/nfs/dbraw/zinc/72/43/22/345724322.db2.gz	GZEZEALLNXYEGC-UHFFFAOYSA-N	-1	3	195.149	1.190	10	30		ADEEHM
C#Cc1cc(=O)[n-]c(C2CC2)n1	307024245	345761179	/nfs/dbraw/zinc/76/11/79/345761179.db2.gz	VYKDELIWYHMRMC-UHFFFAOYSA-N	-1	3	160.176	1.041	10	30		ADEEHM
N#Cc1c(F)ccc([C@H](N)CF)c1[O-]	307045272	345775337	/nfs/dbraw/zinc/77/53/37/345775337.db2.gz	ZUEZBPIUVCIPEB-MRVPVSSYSA-N	-1	3	198.172	1.372	10	30		ADEEHM
N/C(=N/[O-])c1sccc1Cl	307070708	345792113	/nfs/dbraw/zinc/79/21/13/345792113.db2.gz	FKKXYMAKFXGTIR-UHFFFAOYSA-N	-1	3	176.628	1.496	10	30		ADEEHM
C/C(=N/N)c1ccc([O-])cc1F	307072031	345793489	/nfs/dbraw/zinc/79/34/89/345793489.db2.gz	YCYUWISQQQERTB-WZUFQYTHSA-N	-1	3	168.171	1.214	10	30		ADEEHM
CC(C)C[C@@H](C)C(=O)N[O-]	307080746	345798640	/nfs/dbraw/zinc/79/86/40/345798640.db2.gz	ITZOUCOAAWYIOZ-ZCFIWIBFSA-N	-1	3	145.202	1.174	10	30		ADEEHM
CC(C)C[C@H](C)C(=O)N[O-]	307080745	345798826	/nfs/dbraw/zinc/79/88/26/345798826.db2.gz	ITZOUCOAAWYIOZ-LURJTMIESA-N	-1	3	145.202	1.174	10	30		ADEEHM
CN([O-])C(=O)c1cnccc1Cl	307089134	345803627	/nfs/dbraw/zinc/80/36/27/345803627.db2.gz	OBJWVVPISKGEJC-UHFFFAOYSA-N	-1	3	186.598	1.196	10	30		ADEEHM
N#Cc1c(F)ccc2c([O-])coc12	307089657	345804086	/nfs/dbraw/zinc/80/40/86/345804086.db2.gz	VHJZFKHBCGEADL-UHFFFAOYSA-N	-1	3	177.134	1.272	10	30		ADEEHM
CO/N=C(\C)c1ccc([O-])cc1	307096133	345807406	/nfs/dbraw/zinc/80/74/06/345807406.db2.gz	PETUPSPTFGFBDX-JXMROGBWSA-N	-1	3	165.192	1.763	10	30		ADEEHM
COC(=O)c1cc(C#N)c(C)cc1[O-]	307134120	345829271	/nfs/dbraw/zinc/82/92/71/345829271.db2.gz	ZTACRESUYMHGTK-UHFFFAOYSA-N	-1	3	191.186	1.359	10	30		ADEEHM
COC(=O)c1cc(C#N)cc([O-])c1C	307138497	345832444	/nfs/dbraw/zinc/83/24/44/345832444.db2.gz	ANAXSTPGCIPSTF-UHFFFAOYSA-N	-1	3	191.186	1.359	10	30		ADEEHM
C=C1CCN(/C=C/C(=O)[O-])CC1	307143921	345837075	/nfs/dbraw/zinc/83/70/75/345837075.db2.gz	HMAPIWPVXFBBIB-QPJJXVBHSA-N	-1	3	167.208	1.237	10	30		ADEEHM
CO/N=C(/C)c1sccc1[O-]	307148234	345841339	/nfs/dbraw/zinc/84/13/39/345841339.db2.gz	IMKMCJQTHHFUIH-YVMONPNESA-N	-1	3	171.221	1.824	10	30		ADEEHM
N#Cc1ccc(F)c([O-])c1[C@H](N)CF	307171347	345863625	/nfs/dbraw/zinc/86/36/25/345863625.db2.gz	NZXJHGRJLWVNJD-SSDOTTSWSA-N	-1	3	198.172	1.372	10	30		ADEEHM
CO/N=C(/C)c1cc(F)ccc1[O-]	307176914	345867545	/nfs/dbraw/zinc/86/75/45/345867545.db2.gz	HHYFNUUTLMTDOZ-WDZFZDKYSA-N	-1	3	183.182	1.902	10	30		ADEEHM
C/C(=N/N)c1ccc([O-])c(F)c1	307180510	345869707	/nfs/dbraw/zinc/86/97/07/345869707.db2.gz	LKAMGINAQKWKMU-WZUFQYTHSA-N	-1	3	168.171	1.214	10	30		ADEEHM
N/N=C/c1cc([O-])c2ccsc2c1	307214691	345896693	/nfs/dbraw/zinc/89/66/93/345896693.db2.gz	AQNHDOYFVVPACB-VZUCSPMQSA-N	-1	3	192.243	1.900	10	30		ADEEHM
C=C(c1cc(=O)[n-]cn1)C(F)(F)F	307226810	345904078	/nfs/dbraw/zinc/90/40/78/345904078.db2.gz	GCMDMHUHCYRPTN-UHFFFAOYSA-N	-1	3	190.124	1.758	10	30		ADEEHM
N#Cc1ccc(F)c([O-])c1[C@@H](N)CF	307260845	345931565	/nfs/dbraw/zinc/93/15/65/345931565.db2.gz	NZXJHGRJLWVNJD-ZETCQYMHSA-N	-1	3	198.172	1.372	10	30		ADEEHM
C#Cc1nc(CC)[n-]c(=O)c1C	307289408	345949754	/nfs/dbraw/zinc/94/97/54/345949754.db2.gz	GDZTXIULZBBEKA-UHFFFAOYSA-N	-1	3	162.192	1.034	10	30		ADEEHM
C[S@](=O)/N=C/c1ccccc1[O-]	307291602	345950760	/nfs/dbraw/zinc/95/07/60/345950760.db2.gz	BVUQGZDELJCXEO-LZGFCCKTSA-N	-1	3	183.232	1.105	10	30		ADEEHM
C[S@@](=O)/N=C/c1ccccc1[O-]	307291603	345950955	/nfs/dbraw/zinc/95/09/55/345950955.db2.gz	BVUQGZDELJCXEO-UVMWJGKXSA-N	-1	3	183.232	1.105	10	30		ADEEHM
CC(C)(C)[N-]C(=O)C(F)(F)C#N	307320738	345969551	/nfs/dbraw/zinc/96/95/51/345969551.db2.gz	VOYGRQXKHNXKMN-UHFFFAOYSA-N	-1	3	176.166	1.060	10	30		ADEEHM
C#Cc1cc(C)nc(=S)[n-]1	307337474	345979379	/nfs/dbraw/zinc/97/93/79/345979379.db2.gz	TYCJPPUZDNFXDM-UHFFFAOYSA-N	-1	3	150.206	1.429	10	30		ADEEHM
CO/N=C\c1ccc(O)cc1[O-]	307363953	345996243	/nfs/dbraw/zinc/99/62/43/345996243.db2.gz	HZFMLQJTQZKTIC-UITAMQMPSA-N	-1	3	167.164	1.078	10	30		ADEEHM
C=C(C)CCO[N-]C(C)=O	307381658	346006202	/nfs/dbraw/zinc/00/62/02/346006202.db2.gz	AFRPYZSJYPALCG-UHFFFAOYSA-N	-1	3	143.186	1.020	10	30		ADEEHM
CCN([O-])C(=O)C=C(C)C	307395544	346015292	/nfs/dbraw/zinc/01/52/92/346015292.db2.gz	PKXQEKKAJDISBF-UHFFFAOYSA-N	-1	3	143.186	1.190	10	30		ADEEHM
N#CCc1cc([O-])cc(F)c1F	307420274	346031766	/nfs/dbraw/zinc/03/17/66/346031766.db2.gz	LSISQUDJJLUZLL-UHFFFAOYSA-N	-1	3	169.130	1.736	10	30		ADEEHM
[O-]c1cccc2occc12	307434873	346038526	/nfs/dbraw/zinc/03/85/26/346038526.db2.gz	PNDKXNCUHIAOIQ-ZCFIWIBFSA-N	-1	3	134.134	1.169	10	30		ADEEHM
[O-]c1cccc2occc12	307434872	346038682	/nfs/dbraw/zinc/03/86/82/346038682.db2.gz	PNDKXNCUHIAOIQ-LURJTMIESA-N	-1	3	134.134	1.169	10	30		ADEEHM
[O-]/N=C1\CCc2c(O)cccc21	307460871	346054546	/nfs/dbraw/zinc/05/45/46/346054546.db2.gz	IQMLTLPOBWCRRE-CSKARUKUSA-N	-1	3	163.176	1.517	10	30		ADEEHM
COC(=O)c1c(C)cc(C#N)cc1[O-]	307470486	346059738	/nfs/dbraw/zinc/05/97/38/346059738.db2.gz	VOIXIUPQTSGHFB-UHFFFAOYSA-N	-1	3	191.186	1.359	10	30		ADEEHM
Cc1cc([O-])cc(C#N)c1C	307516603	346086331	/nfs/dbraw/zinc/08/63/31/346086331.db2.gz	SUHFPHJAHPHKCW-UHFFFAOYSA-N	-1	3	147.177	1.881	10	30		ADEEHM
C#Cc1ccc(F)cc1[O-]	307535929	346098171	/nfs/dbraw/zinc/09/81/71/346098171.db2.gz	NVLUQIJKFQDLBJ-UHFFFAOYSA-N	-1	3	136.125	1.513	10	30		ADEEHM
CC(C)C[C@@H]1C[C@@H]1C(=O)N[O-]	307549560	346106618	/nfs/dbraw/zinc/10/66/18/346106618.db2.gz	PUXUBMGCCZIHIO-RQJHMYQMSA-N	-1	3	157.213	1.174	10	30		ADEEHM
CC(C)C[C@H]1C[C@@H]1C(=O)N[O-]	307549558	346106647	/nfs/dbraw/zinc/10/66/47/346106647.db2.gz	PUXUBMGCCZIHIO-BQBZGAKWSA-N	-1	3	157.213	1.174	10	30		ADEEHM
CC(C)C[C@H]1C[C@H]1C(=O)N[O-]	307549559	346106717	/nfs/dbraw/zinc/10/67/17/346106717.db2.gz	PUXUBMGCCZIHIO-NKWVEPMBSA-N	-1	3	157.213	1.174	10	30		ADEEHM
C#CC/N=C/c1ccc(O)cc1[O-]	307557499	346111578	/nfs/dbraw/zinc/11/15/78/346111578.db2.gz	VDQBGIVGFGYEEZ-YRNVUSSQSA-N	-1	3	175.187	1.150	10	30		ADEEHM
C/C(=N/N)c1ccc(C)cc1[O-]	307564560	346115632	/nfs/dbraw/zinc/11/56/32/346115632.db2.gz	BJGNNVLWXGFFER-XFFZJAGNSA-N	-1	3	164.208	1.383	10	30		ADEEHM
Cc1csc(C([O-])=C(C#N)C#N)c1	307593642	346134746	/nfs/dbraw/zinc/13/47/46/346134746.db2.gz	JHMQVYLQXJSRLL-UHFFFAOYSA-N	-1	3	190.227	1.903	10	30		ADEEHM
CN([O-])C(=O)c1cccc(Cl)n1	307642178	346163677	/nfs/dbraw/zinc/16/36/77/346163677.db2.gz	LEHKODBSKWXISS-UHFFFAOYSA-N	-1	3	186.598	1.196	10	30		ADEEHM
CN([O-])C(=O)c1cc(Cl)ccn1	307642192	346163907	/nfs/dbraw/zinc/16/39/07/346163907.db2.gz	LHDIYYZNYDNPDP-UHFFFAOYSA-N	-1	3	186.598	1.196	10	30		ADEEHM
C#Cc1nc[n-]c(=O)c1C(C)C	307645056	346165403	/nfs/dbraw/zinc/16/54/03/346165403.db2.gz	WQVKIEAHENSZKV-UHFFFAOYSA-N	-1	3	162.192	1.287	10	30		ADEEHM
C#Cc1cn[n-]c(=S)c1	307655848	346168326	/nfs/dbraw/zinc/16/83/26/346168326.db2.gz	XRTQEZCKWKKXLS-UHFFFAOYSA-N	-1	3	136.179	1.120	10	30		ADEEHM
CC/C(=N/N)c1cc(F)ccc1[O-]	307662236	346170849	/nfs/dbraw/zinc/17/08/49/346170849.db2.gz	HFTDHXHFJPCKKX-WQLSENKSSA-N	-1	3	182.198	1.604	10	30		ADEEHM
CC#CC/N=C/c1ccccc1[O-]	307673161	346175826	/nfs/dbraw/zinc/17/58/26/346175826.db2.gz	CVNNGYZJSPNWJX-FMIVXFBMSA-N	-1	3	173.215	1.834	10	30		ADEEHM
CO/N=C(/C)c1ccc([O-])cc1	307690953	346186224	/nfs/dbraw/zinc/18/62/24/346186224.db2.gz	PETUPSPTFGFBDX-YFHOEESVSA-N	-1	3	165.192	1.763	10	30		ADEEHM
C#Cc1cc(F)ccc1[O-]	307700217	346191874	/nfs/dbraw/zinc/19/18/74/346191874.db2.gz	QAGYEWNDRUJXGW-UHFFFAOYSA-N	-1	3	136.125	1.513	10	30		ADEEHM
CO/N=C(/C)c1ccc([O-])cc1F	307760561	346226915	/nfs/dbraw/zinc/22/69/15/346226915.db2.gz	WFRVAJKPMZRAKS-WDZFZDKYSA-N	-1	3	183.182	1.902	10	30		ADEEHM
CC(=N[O-])[C@@H]1CCCCO1	307791921	346229106	/nfs/dbraw/zinc/22/91/06/346229106.db2.gz	IRMAPKYTORYVLT-ZETCQYMHSA-N	-1	3	143.186	1.406	10	30		ADEEHM
CC(=N[O-])[C@H]1CCCCO1	307791919	346229209	/nfs/dbraw/zinc/22/92/09/346229209.db2.gz	IRMAPKYTORYVLT-SSDOTTSWSA-N	-1	3	143.186	1.406	10	30		ADEEHM
CCCn1cc(C(Cl)=N[O-])cn1	307944241	346238932	/nfs/dbraw/zinc/23/89/32/346238932.db2.gz	VSWYBFIAOVZCCF-UHFFFAOYSA-N	-1	3	187.630	1.668	10	30		ADEEHM
CN(C)C=Nc1ccccc1[O-]	308001658	346249544	/nfs/dbraw/zinc/24/95/44/346249544.db2.gz	ZZLRBBAANDKQAJ-UHFFFAOYSA-N	-1	3	164.208	1.614	10	30		ADEEHM
CC(=N)NN=Cc1ccccc1[O-]	308049626	346252374	/nfs/dbraw/zinc/25/23/74/346252374.db2.gz	FTKHKNYKOPXWRA-UHFFFAOYSA-N	-1	3	177.207	1.103	10	30		ADEEHM
CC(=NN)c1c(C)cc(C)cc1[O-]	308279655	346280801	/nfs/dbraw/zinc/28/08/01/346280801.db2.gz	WNZIYWKQZVILBT-UHFFFAOYSA-N	-1	3	178.235	1.692	10	30		ADEEHM
CCOc1ccc(C=NN)c([O-])c1	308290869	346282649	/nfs/dbraw/zinc/28/26/49/346282649.db2.gz	DVYRHDCJLKWXKI-UHFFFAOYSA-N	-1	3	180.207	1.084	10	30		ADEEHM
NN=Cc1cc([O-])c2ccsc2c1	382004805	346531840	/nfs/dbraw/zinc/53/18/40/346531840.db2.gz	AQNHDOYFVVPACB-UHFFFAOYSA-N	-1	3	192.243	1.900	10	30		ADEEHM
CC1CC(=NN=c2cc[n-]n2C)C1	382096242	346532499	/nfs/dbraw/zinc/53/24/99/346532499.db2.gz	DWEFELDOLSISGA-UHFFFAOYSA-N	-1	3	178.239	1.040	10	30		ADEEHM
Cc1ccoc1C=N[O-]	382230498	346533893	/nfs/dbraw/zinc/53/38/93/346533893.db2.gz	UXARVJRXMBFIBA-UHFFFAOYSA-N	-1	3	125.127	1.396	10	30		ADEEHM
CN([O-])C(=O)/C=C\c1ccc(N)cc1	396438796	346589155	/nfs/dbraw/zinc/58/91/55/346589155.db2.gz	IZLDMLKQHPCFHJ-DAXSKMNVSA-N	-1	3	192.218	1.130	10	30		ADEEHM
CN[C@H](C#N)c1ccc([O-])cc1F	404246896	346640512	/nfs/dbraw/zinc/64/05/12/346640512.db2.gz	HEVKKVIPRLXGCO-SECBINFHSA-N	-1	3	180.182	1.315	10	30		ADEEHM
CN[C@@H](C#N)c1ccc([O-])cc1F	404246897	346640739	/nfs/dbraw/zinc/64/07/39/346640739.db2.gz	HEVKKVIPRLXGCO-VIFPVBQESA-N	-1	3	180.182	1.315	10	30		ADEEHM
C=CCCc1cc(=O)[n-]c(C)n1	409427624	346686412	/nfs/dbraw/zinc/68/64/12/346686412.db2.gz	BBNHDXIJNDNSOL-UHFFFAOYSA-N	-1	3	164.208	1.609	10	30		ADEEHM
C=CCCc1cc(=O)[n-]cn1	409430095	346689570	/nfs/dbraw/zinc/68/95/70/346689570.db2.gz	KWNCDSGGEXMWOP-UHFFFAOYSA-N	-1	3	150.181	1.301	10	30		ADEEHM
O=c1ccc2cc(/C=N/[O-])ccc2o1	584600499	346720383	/nfs/dbraw/zinc/72/03/83/346720383.db2.gz	NTEAXMORYDLRMU-IZZDOVSWSA-N	-1	3	189.170	1.601	10	30		ADEEHM
CCCCC[C@H](O)/C=N\[O-]	584611025	346727652	/nfs/dbraw/zinc/72/76/52/346727652.db2.gz	ANLUDECFANOTOE-VQKCLUMFSA-N	-1	3	145.202	1.388	10	30		ADEEHM
O=C1CCO/C1=C\c1ccccc1[O-]	584611037	346727739	/nfs/dbraw/zinc/72/77/39/346727739.db2.gz	KGVGNTCSZKHPEV-XFFZJAGNSA-N	-1	3	190.198	1.723	10	30		ADEEHM
CCCCC[C@@H](O)/C=N\[O-]	584611024	346727837	/nfs/dbraw/zinc/72/78/37/346727837.db2.gz	ANLUDECFANOTOE-QHRPWQPMSA-N	-1	3	145.202	1.388	10	30		ADEEHM
C[C@@H]1CC(C)(C)CC(=O)N1[O-]	584620086	346730783	/nfs/dbraw/zinc/73/07/83/346730783.db2.gz	MBOZFZASLHACJZ-ZCFIWIBFSA-N	-1	3	157.213	1.413	10	30		ADEEHM
C[C@H]1CC(C)(C)CC(=O)N1[O-]	584620083	346730879	/nfs/dbraw/zinc/73/08/79/346730879.db2.gz	MBOZFZASLHACJZ-LURJTMIESA-N	-1	3	157.213	1.413	10	30		ADEEHM
N#Cc1cc2cncc([O-])c2cc1F	584640383	346739393	/nfs/dbraw/zinc/73/93/93/346739393.db2.gz	XRIHNBIYMABWGU-UHFFFAOYSA-N	-1	3	188.161	1.951	10	30		ADEEHM
C[C@@H]1CCc2[n-]n(CCC#N)c(=O)c21	601930209	346926254	/nfs/dbraw/zinc/92/62/54/346926254.db2.gz	BWNUHYHBRSLGPI-VXNVDRBHSA-N	-1	3	191.234	1.144	10	30		ADEEHM
C[C@H]1CCc2[n-]n(CCC#N)c(=O)c21	601930207	346926539	/nfs/dbraw/zinc/92/65/39/346926539.db2.gz	BWNUHYHBRSLGPI-IONNQARKSA-N	-1	3	191.234	1.144	10	30		ADEEHM
C[C@H]1CCc2[n-]n(CCC#N)c(=O)c21	601930206	346926551	/nfs/dbraw/zinc/92/65/51/346926551.db2.gz	BWNUHYHBRSLGPI-CBAPKCEASA-N	-1	3	191.234	1.144	10	30		ADEEHM
C[C@@H]1CCc2[n-]n(CCC#N)c(=O)c21	601930197	346926688	/nfs/dbraw/zinc/92/66/88/346926688.db2.gz	BWNUHYHBRSLGPI-APPZFPTMSA-N	-1	3	191.234	1.144	10	30		ADEEHM
C=C(C)Cn1[n-]c(C)c(C2CC2)c1=O	634604007	347419451	/nfs/dbraw/zinc/41/94/51/347419451.db2.gz	RMDCYBXRHKTNSO-JTQLQIEISA-N	-1	3	192.262	1.807	10	30		ADEEHM
C=C(C)Cn1[n-]c2c(c1=O)[C@@H](C)CC2	634603481	347419519	/nfs/dbraw/zinc/41/95/19/347419519.db2.gz	APRMCHPMODIFBD-WPRPVWTQSA-N	-1	3	192.262	1.807	10	30		ADEEHM
C=C(C)Cn1[n-]c2c(c1=O)[C@H](C)CC2	634603478	347419677	/nfs/dbraw/zinc/41/96/77/347419677.db2.gz	APRMCHPMODIFBD-PSASIEDQSA-N	-1	3	192.262	1.807	10	30		ADEEHM
C=C(C)Cn1[n-]c(C)c(C2CC2)c1=O	634604008	347419709	/nfs/dbraw/zinc/41/97/09/347419709.db2.gz	RMDCYBXRHKTNSO-SNVBAGLBSA-N	-1	3	192.262	1.807	10	30		ADEEHM
C=C(C)Cn1[n-]c2c(c1=O)[C@H](C)CC2	634603479	347419760	/nfs/dbraw/zinc/41/97/60/347419760.db2.gz	APRMCHPMODIFBD-SCZZXKLOSA-N	-1	3	192.262	1.807	10	30		ADEEHM
C[C@@H]1C(C)(C)[N-]C(=S)O[C@]1(C)C#N	338250	351276176	/nfs/dbraw/zinc/27/61/76/351276176.db2.gz	YZJHIUWJBGEESB-HZGVNTEJSA-N	-1	3	198.291	1.588	10	30		ADEEHM
C[C@@H]1C(C)(C)[N-]C(=S)O[C@@]1(C)C#N	3108824	351315736	/nfs/dbraw/zinc/31/57/36/351315736.db2.gz	YZJHIUWJBGEESB-MUWHJKNJSA-N	-1	3	198.291	1.588	10	30		ADEEHM
Cc1cc(=O)c2c([n-]1)C(=O)C=CC2=O	13891729	351372191	/nfs/dbraw/zinc/37/21/91/351372191.db2.gz	KJLIJEUZKMWVAO-UHFFFAOYSA-N	-1	3	189.170	1.031	10	30		ADEEHM
CC(C)(O)C#Cc1ccccc1[O-]	34115625	351434589	/nfs/dbraw/zinc/43/45/89/351434589.db2.gz	XZQZJVNPUUFDQY-UHFFFAOYSA-N	-1	3	176.215	1.515	10	30		ADEEHM
CCOc1ccc([O-])cc1C#N	39089515	351490608	/nfs/dbraw/zinc/49/06/08/351490608.db2.gz	OFBPPUWWTOVGCT-UHFFFAOYSA-N	-1	3	163.176	1.663	10	30		ADEEHM
C[C@@H]1CCc2c[n-]c(=O)c(C#N)c2C1	72416526	351619312	/nfs/dbraw/zinc/61/93/12/351619312.db2.gz	GLMAKDXQQJIKIC-SSDOTTSWSA-N	-1	3	188.230	1.371	10	30		ADEEHM
C[C@@H]1CCc2c(c[n-]c(=O)c2C#N)C1	72416850	351619446	/nfs/dbraw/zinc/61/94/46/351619446.db2.gz	WHHJIXVPAPXJIF-SSDOTTSWSA-N	-1	3	188.230	1.371	10	30		ADEEHM
CCOc1nc2cccc(C#N)c2[n-]1	89195048	351662232	/nfs/dbraw/zinc/66/22/32/351662232.db2.gz	BGFBEAAVPNPEQS-UHFFFAOYSA-N	-1	3	187.202	1.833	10	30		ADEEHM
CCOc1nc2c(C#N)cccc2[n-]1	89195048	351662236	/nfs/dbraw/zinc/66/22/36/351662236.db2.gz	BGFBEAAVPNPEQS-UHFFFAOYSA-N	-1	3	187.202	1.833	10	30		ADEEHM
CCO[C@H](C)O[C@@H]([S-])COC	95931762	351676176	/nfs/dbraw/zinc/67/61/76/351676176.db2.gz	LGKHYZXMHVHFAH-BQBZGAKWSA-N	-1	3	180.269	1.288	10	30		ADEEHM
CCO[C@H](C)O[C@H]([S-])COC	95931760	351676474	/nfs/dbraw/zinc/67/64/74/351676474.db2.gz	LGKHYZXMHVHFAH-NKWVEPMBSA-N	-1	3	180.269	1.288	10	30		ADEEHM
CCO[C@@H](C)O[C@@H]([S-])COC	95931761	351676646	/nfs/dbraw/zinc/67/66/46/351676646.db2.gz	LGKHYZXMHVHFAH-RQJHMYQMSA-N	-1	3	180.269	1.288	10	30		ADEEHM
CCO[C@@H](C)O[C@H]([S-])COC	95931759	351676808	/nfs/dbraw/zinc/67/68/08/351676808.db2.gz	LGKHYZXMHVHFAH-RNFRBKRXSA-N	-1	3	180.269	1.288	10	30		ADEEHM
CCOc1cc(/C=N\[O-])ccc1O	100220088	351692329	/nfs/dbraw/zinc/69/23/29/351692329.db2.gz	AZAMLLOELYKGDG-POHAHGRESA-N	-1	3	181.191	1.599	10	30		ADEEHM
CCOc1ccc(/C=N\[O-])cc1OC	100225093	351692740	/nfs/dbraw/zinc/69/27/40/351692740.db2.gz	IMUTXONCNANTKW-XFFZJAGNSA-N	-1	3	195.218	1.902	10	30		ADEEHM
CC(=O)C(Br)=C(C)[O-]	139512723	351744180	/nfs/dbraw/zinc/74/41/80/351744180.db2.gz	PXYVIMZMALBPQE-HYXAFXHYSA-N	-1	3	179.013	1.760	10	30		ADEEHM
C=C[C@@H](C)NC(=O)c1cccc([O-])c1	163682207	351762947	/nfs/dbraw/zinc/76/29/47/351762947.db2.gz	LLXPSKNBRCFTNV-MRVPVSSYSA-N	-1	3	191.230	1.697	10	30		ADEEHM
CC#CCNC(=O)c1cccc([O-])c1	163690187	351763151	/nfs/dbraw/zinc/76/31/51/351763151.db2.gz	FSDRDVWOARBSGM-UHFFFAOYSA-N	-1	3	189.214	1.145	10	30		ADEEHM
C=C[C@H](C)NC(=O)c1cccc([O-])c1	163682088	351763545	/nfs/dbraw/zinc/76/35/45/351763545.db2.gz	LLXPSKNBRCFTNV-QMMMGPOBSA-N	-1	3	191.230	1.697	10	30		ADEEHM
O=C1C=C([O-])[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]12	169619594	351770019	/nfs/dbraw/zinc/77/00/19/351770019.db2.gz	FJTCWKUCNYGDQY-FXUQCPSJSA-N	-1	3	162.188	1.449	10	30		ADEEHM
CCOC(=O)c1cccc(C#N)c1[O-]	238265697	351819513	/nfs/dbraw/zinc/81/95/13/351819513.db2.gz	YWBRIHNATFVXMP-UHFFFAOYSA-N	-1	3	191.186	1.441	10	30		ADEEHM
C[C@@]1(C=N[O-])CSC(=O)S1	242614854	351828080	/nfs/dbraw/zinc/82/80/80/351828080.db2.gz	PKQORMRRDYQUDB-RXMQYKEDSA-N	-1	3	177.250	1.805	10	30		ADEEHM
C[C@]1(C=N[O-])CSC(=O)S1	242614856	351828138	/nfs/dbraw/zinc/82/81/38/351828138.db2.gz	PKQORMRRDYQUDB-YFKPBYRVSA-N	-1	3	177.250	1.805	10	30		ADEEHM
[O-]N=Cc1ccoc1	252370111	351837882	/nfs/dbraw/zinc/83/78/82/351837882.db2.gz	QJNJBSOMPGENRN-UHFFFAOYSA-N	-1	3	111.100	1.088	10	30		ADEEHM
[O-]N=Cc1cnn(CC(F)(F)F)c1	252486108	351839066	/nfs/dbraw/zinc/83/90/66/351839066.db2.gz	FSBBOBJCFUDRLP-UHFFFAOYSA-N	-1	3	193.128	1.254	10	30		ADEEHM
COc1cc(F)c(C#N)cc1[O-]	257988624	351856587	/nfs/dbraw/zinc/85/65/87/351856587.db2.gz	KJYXWIWRGDVINH-UHFFFAOYSA-N	-1	3	167.139	1.412	10	30		ADEEHM
COc1cc(F)c([O-])cc1CC#N	258026568	351857393	/nfs/dbraw/zinc/85/73/93/351857393.db2.gz	OONYVKQUEKPJFF-UHFFFAOYSA-N	-1	3	181.166	1.606	10	30		ADEEHM
N#CCc1cc([O-])c(F)cc1F	258010004	351857397	/nfs/dbraw/zinc/85/73/97/351857397.db2.gz	MWWVFGYGRCIRBN-UHFFFAOYSA-N	-1	3	169.130	1.736	10	30		ADEEHM
CCc1cc(C#N)c([O-])c(OC)c1	258032934	351857462	/nfs/dbraw/zinc/85/74/62/351857462.db2.gz	PHSJOUNXZISXLD-UHFFFAOYSA-N	-1	3	177.203	1.835	10	30		ADEEHM
Cc1ccc(C#N)c([O-])c1C	258001035	351857608	/nfs/dbraw/zinc/85/76/08/351857608.db2.gz	LXSAXPCWFVSGHI-UHFFFAOYSA-N	-1	3	147.177	1.881	10	30		ADEEHM
COc1cc(C#N)c(OC)cc1[O-]	258066749	351858217	/nfs/dbraw/zinc/85/82/17/351858217.db2.gz	TWFCSCYXUIPZLT-UHFFFAOYSA-N	-1	3	179.175	1.281	10	30		ADEEHM
CCOc1cc(C#N)cc([O-])c1OC	258045243	351858330	/nfs/dbraw/zinc/85/83/30/351858330.db2.gz	KEIMQTKZICSQDD-UHFFFAOYSA-N	-1	3	193.202	1.671	10	30		ADEEHM
N#Cc1ccc(Cl)c(N)c1[O-]	260036541	351882819	/nfs/dbraw/zinc/88/28/19/351882819.db2.gz	KZUCLUSAQFTHTA-UHFFFAOYSA-N	-1	3	168.583	1.499	10	30		ADEEHM
N#Cc1ccc([O-])c(N)c1Cl	260218255	351884294	/nfs/dbraw/zinc/88/42/94/351884294.db2.gz	WQCNYLKPGYGUOA-UHFFFAOYSA-N	-1	3	168.583	1.499	10	30		ADEEHM
COC(=O)c1cc(C)cc(C#N)c1[O-]	260677325	351886249	/nfs/dbraw/zinc/88/62/49/351886249.db2.gz	SWIGYLMHFZCYLJ-UHFFFAOYSA-N	-1	3	191.186	1.359	10	30		ADEEHM
CO/N=C/c1ccc(O)cc1[O-]	261110777	351888897	/nfs/dbraw/zinc/88/88/97/351888897.db2.gz	HZFMLQJTQZKTIC-WEVVVXLNSA-N	-1	3	167.164	1.078	10	30		ADEEHM
CCc1cc(C#N)c([O-])cc1OC	261143051	351889610	/nfs/dbraw/zinc/88/96/10/351889610.db2.gz	PFLGFPIQMUTQCO-UHFFFAOYSA-N	-1	3	177.203	1.835	10	30		ADEEHM
O=C1C=Nc2ccccc2C1=C[O-]	306157835	351902519	/nfs/dbraw/zinc/90/25/19/351902519.db2.gz	FDYDCHUDZFBNJJ-SOFGYWHQSA-N	-1	3	173.171	1.871	10	30		ADEEHM
O=Cc1c([O-])cnc2ccccc12	306157835	351902521	/nfs/dbraw/zinc/90/25/21/351902521.db2.gz	FDYDCHUDZFBNJJ-SOFGYWHQSA-N	-1	3	173.171	1.871	10	30		ADEEHM
CO/N=C/c1cc(C)ccc1[O-]	306363905	351923713	/nfs/dbraw/zinc/92/37/13/351923713.db2.gz	ZSQJHPHMZVYRGB-UXBLZVDNSA-N	-1	3	165.192	1.681	10	30		ADEEHM
C=CCO[N-]C(=O)[C@H]1CCCC12CC2	529470949	352182372	/nfs/dbraw/zinc/18/23/72/352182372.db2.gz	ZGSMSVIHBGUKSB-SECBINFHSA-N	-1	3	195.262	1.801	10	30		ADEEHM
C/C(=N/[S@@](C)=O)c1ccccc1[O-]	575449887	352208912	/nfs/dbraw/zinc/20/89/12/352208912.db2.gz	UXWWGPQFWVSYMB-PGJNLMOESA-N	-1	3	197.259	1.495	10	30		ADEEHM
C/C(=N/[S@](C)=O)c1ccccc1[O-]	575449888	352208984	/nfs/dbraw/zinc/20/89/84/352208984.db2.gz	UXWWGPQFWVSYMB-SZNGSJQDSA-N	-1	3	197.259	1.495	10	30		ADEEHM
C=C1CCCN(/C=C/C(=O)[O-])C1	575456174	352229012	/nfs/dbraw/zinc/22/90/12/352229012.db2.gz	FNDSRUOPQSYIHA-GQCTYLIASA-N	-1	3	167.208	1.237	10	30		ADEEHM
C#Cc1cc(C2CC2)nc(=S)[n-]1	575458667	352237662	/nfs/dbraw/zinc/23/76/62/352237662.db2.gz	FXIUSWHZJWOPKZ-UHFFFAOYSA-N	-1	3	176.244	1.624	10	30		ADEEHM
CC(F)(F)CC(C#N)C(=O)[O-]	575465171	352261594	/nfs/dbraw/zinc/26/15/94/352261594.db2.gz	DBQVHQFQNSJQSV-BYPYZUCNSA-N	-1	3	163.123	1.256	10	30		ADEEHM
CC(F)(F)CC(C#N)C(=O)[O-]	575465172	352261770	/nfs/dbraw/zinc/26/17/70/352261770.db2.gz	DBQVHQFQNSJQSV-SCSAIBSYSA-N	-1	3	163.123	1.256	10	30		ADEEHM
CN([O-])C(=O)c1csc(Cl)n1	575465413	352262856	/nfs/dbraw/zinc/26/28/56/352262856.db2.gz	DFVHQKBDQAMXSD-UHFFFAOYSA-N	-1	3	192.627	1.258	10	30		ADEEHM
O=C(C=C[O-])C1(Cl)CC1	575469472	352279203	/nfs/dbraw/zinc/27/92/03/352279203.db2.gz	YAHXWOKYWDYWKQ-DAFODLJHSA-N	-1	3	146.573	1.399	10	30		ADEEHM
O=CC=C([O-])C1(Cl)CC1	575469472	352279204	/nfs/dbraw/zinc/27/92/04/352279204.db2.gz	YAHXWOKYWDYWKQ-DAFODLJHSA-N	-1	3	146.573	1.399	10	30		ADEEHM
CC(C#N)=C([O-])c1c(Cl)cnn1C	575507806	352443699	/nfs/dbraw/zinc/44/36/99/352443699.db2.gz	NMBSHEYVNCILBH-YFKPBYRVSA-N	-1	3	197.625	1.416	10	30		ADEEHM
CC(C#N)=C([O-])c1c(Cl)cnn1C	575507802	352443939	/nfs/dbraw/zinc/44/39/39/352443939.db2.gz	NMBSHEYVNCILBH-RXMQYKEDSA-N	-1	3	197.625	1.416	10	30		ADEEHM
Cn1[n-]cc/c1=N\N=CC(C)(C)C	575533252	352570322	/nfs/dbraw/zinc/57/03/22/352570322.db2.gz	CCHPXCPXAQHPBZ-FFYWUOSESA-N	-1	3	180.255	1.286	10	30		ADEEHM
C/C(=N\N=c1cc[n-]n1C)C(C)C	575533323	352570576	/nfs/dbraw/zinc/57/05/76/352570576.db2.gz	DORMOQCUVLLAKY-TWBNHMDGSA-N	-1	3	180.255	1.286	10	30		ADEEHM
CC/C(C)=N/N=c1cc[n-]n1C	575535936	352581306	/nfs/dbraw/zinc/58/13/06/352581306.db2.gz	OJWMTOFFCHUFBW-YZQSPKDBSA-N	-1	3	166.228	1.040	10	30		ADEEHM
C#Cc1cccc(F)c1[O-]	575542241	352610133	/nfs/dbraw/zinc/61/01/33/352610133.db2.gz	RLDOPAZYEPKWPE-UHFFFAOYSA-N	-1	3	136.125	1.513	10	30		ADEEHM
C#Cc1cc(CC)nc(=S)[n-]1	575547448	352628719	/nfs/dbraw/zinc/62/87/19/352628719.db2.gz	CHQUNIMHOVGAMU-UHFFFAOYSA-N	-1	3	164.233	1.309	10	30		ADEEHM
CC(Cl)=CC(=O)c1cnn[n-]1	575551547	352642447	/nfs/dbraw/zinc/64/24/47/352642447.db2.gz	ZDAZOLMAZGHLJV-UHFFFAOYSA-N	-1	3	171.587	1.130	10	30		ADEEHM
CC(Cl)=CC(=O)c1c[n-]nn1	575551547	352642450	/nfs/dbraw/zinc/64/24/50/352642450.db2.gz	ZDAZOLMAZGHLJV-UHFFFAOYSA-N	-1	3	171.587	1.130	10	30		ADEEHM
CC(Cl)=CC(=O)c1cn[n-]n1	575551547	352642455	/nfs/dbraw/zinc/64/24/55/352642455.db2.gz	ZDAZOLMAZGHLJV-UHFFFAOYSA-N	-1	3	171.587	1.130	10	30		ADEEHM
C#Cc1cc(C(C)C)nc(=S)[n-]1	575552723	352646496	/nfs/dbraw/zinc/64/64/96/352646496.db2.gz	ZKGQPGNBUWWDCO-UHFFFAOYSA-N	-1	3	178.260	1.870	10	30		ADEEHM
Cn1[n-]cc/c1=N\N=CC1(C)CC1	575566457	352707087	/nfs/dbraw/zinc/70/70/87/352707087.db2.gz	GNFRETULVSEYAE-FFYWUOSESA-N	-1	3	178.239	1.040	10	30		ADEEHM
C#CCC(=O)Nc1ccccc1[O-]	575567359	352711217	/nfs/dbraw/zinc/71/12/17/352711217.db2.gz	SBWXOLZXXKYJDT-UHFFFAOYSA-N	-1	3	175.187	1.354	10	30		ADEEHM
Cc1cocc1C([O-])=C(C#N)C#N	575572816	352738165	/nfs/dbraw/zinc/73/81/65/352738165.db2.gz	SXJFKGHWSNFQEG-UHFFFAOYSA-N	-1	3	174.159	1.434	10	30		ADEEHM
N#Cc1cc([O-])c(N)cc1Cl	575720346	352901172	/nfs/dbraw/zinc/90/11/72/352901172.db2.gz	LJLAVLIAINABMV-UHFFFAOYSA-N	-1	3	168.583	1.499	10	30		ADEEHM
COCc1cc(/C=N\[O-])ccc1OC	575602652	352866081	/nfs/dbraw/zinc/86/60/81/352866081.db2.gz	SACRPHDUHFSLII-WDZFZDKYSA-N	-1	3	195.218	1.650	10	30		ADEEHM
COCc1cc(/C=N\[O-])ccc1O	575602313	352866092	/nfs/dbraw/zinc/86/60/92/352866092.db2.gz	MEOMTJDUWXSLTI-YHYXMXQVSA-N	-1	3	181.191	1.347	10	30		ADEEHM
COCc1cc(/C=N\O)ccc1[O-]	575602313	352866096	/nfs/dbraw/zinc/86/60/96/352866096.db2.gz	MEOMTJDUWXSLTI-YHYXMXQVSA-N	-1	3	181.191	1.347	10	30		ADEEHM
CCc1cc([O-])c(C#N)c(CC#N)c1	575643916	352872088	/nfs/dbraw/zinc/87/20/88/352872088.db2.gz	CADXKTIKSUPSAT-UHFFFAOYSA-N	-1	3	186.214	1.892	10	30		ADEEHM
CCc1c(C#N)cc([O-])cc1CC#N	575643874	352872275	/nfs/dbraw/zinc/87/22/75/352872275.db2.gz	BLBDUMVPPALXQK-UHFFFAOYSA-N	-1	3	186.214	1.892	10	30		ADEEHM
CCc1cc(CC#N)cc([O-])c1C#N	575643889	352872289	/nfs/dbraw/zinc/87/22/89/352872289.db2.gz	BNVGFMKQFGCFHT-UHFFFAOYSA-N	-1	3	186.214	1.892	10	30		ADEEHM
CCc1cc(CC#N)c(C#N)cc1[O-]	575644316	352872378	/nfs/dbraw/zinc/87/23/78/352872378.db2.gz	DWAHFSJIWUUZAD-UHFFFAOYSA-N	-1	3	186.214	1.892	10	30		ADEEHM
CCc1c([O-])cc(CC#N)cc1C#N	575644212	352872500	/nfs/dbraw/zinc/87/25/00/352872500.db2.gz	DGNTWDQCWVAQQA-UHFFFAOYSA-N	-1	3	186.214	1.892	10	30		ADEEHM
CCc1cc(CC#N)c([O-])cc1C#N	575644236	352872521	/nfs/dbraw/zinc/87/25/21/352872521.db2.gz	DJFHOCWFIYDGGZ-UHFFFAOYSA-N	-1	3	186.214	1.892	10	30		ADEEHM
CCc1cc([O-])c(C#N)cc1CC#N	575644943	352873003	/nfs/dbraw/zinc/87/30/03/352873003.db2.gz	FKCFNVNEWOWLQL-UHFFFAOYSA-N	-1	3	186.214	1.892	10	30		ADEEHM
N#CCc1cc([O-])cc(C#N)c1F	575645076	352873625	/nfs/dbraw/zinc/87/36/25/352873625.db2.gz	DDBLNDSWYJQFCF-UHFFFAOYSA-N	-1	3	176.150	1.469	10	30		ADEEHM
CCc1c(C#N)ccc(CC#N)c1[O-]	575645367	352873777	/nfs/dbraw/zinc/87/37/77/352873777.db2.gz	IBGAYTNLTXLTHE-UHFFFAOYSA-N	-1	3	186.214	1.892	10	30		ADEEHM
CCc1c([O-])cc(C#N)cc1CC#N	575645493	352874586	/nfs/dbraw/zinc/87/45/86/352874586.db2.gz	IZLLXGFVOVZVJR-UHFFFAOYSA-N	-1	3	186.214	1.892	10	30		ADEEHM
CCc1cc(C#N)cc([O-])c1CC#N	575645925	352875219	/nfs/dbraw/zinc/87/52/19/352875219.db2.gz	LLZUXOWCKJRGOJ-UHFFFAOYSA-N	-1	3	186.214	1.892	10	30		ADEEHM
CCc1cc(C#N)c([O-])c(CC#N)c1	575646414	352875927	/nfs/dbraw/zinc/87/59/27/352875927.db2.gz	NLGKYBGPKWZMRB-UHFFFAOYSA-N	-1	3	186.214	1.892	10	30		ADEEHM
CCc1cc([O-])c(CC#N)c(C#N)c1	575647347	352877037	/nfs/dbraw/zinc/87/70/37/352877037.db2.gz	SGHARDPDUKSFJA-UHFFFAOYSA-N	-1	3	186.214	1.892	10	30		ADEEHM
CCc1cc(C#N)c(CC#N)cc1[O-]	575647509	352877140	/nfs/dbraw/zinc/87/71/40/352877140.db2.gz	UMUYGEJDFSWLGV-UHFFFAOYSA-N	-1	3	186.214	1.892	10	30		ADEEHM
CCc1cc([O-])cc(C#N)c1CC#N	575647358	352877149	/nfs/dbraw/zinc/87/71/49/352877149.db2.gz	SHTHDXUOXOUDJL-UHFFFAOYSA-N	-1	3	186.214	1.892	10	30		ADEEHM
CCc1cc(CC#N)cc(C#N)c1[O-]	575648517	352878172	/nfs/dbraw/zinc/87/81/72/352878172.db2.gz	VSAHQEOJSJNCOG-UHFFFAOYSA-N	-1	3	186.214	1.892	10	30		ADEEHM
CCc1cc(C#N)c([O-])cc1CC#N	575648681	352878394	/nfs/dbraw/zinc/87/83/94/352878394.db2.gz	YLMXPCWKFLLQGC-UHFFFAOYSA-N	-1	3	186.214	1.892	10	30		ADEEHM
CCOc1cc(F)c(C#N)cc1[O-]	575669964	352884455	/nfs/dbraw/zinc/88/44/55/352884455.db2.gz	BZSFTUUTZYCWCP-UHFFFAOYSA-N	-1	3	181.166	1.802	10	30		ADEEHM
CCOc1c(F)cc([O-])cc1C#N	575670163	352884511	/nfs/dbraw/zinc/88/45/11/352884511.db2.gz	FVZKUSCXOIYQPJ-UHFFFAOYSA-N	-1	3	181.166	1.802	10	30		ADEEHM
CCOc1cc(C#N)c([O-])cc1C	575670050	352884568	/nfs/dbraw/zinc/88/45/68/352884568.db2.gz	DNBVEODGAUWUHO-UHFFFAOYSA-N	-1	3	177.203	1.971	10	30		ADEEHM
CCOc1cc(C#N)cc([O-])c1C	575670322	352884696	/nfs/dbraw/zinc/88/46/96/352884696.db2.gz	JIRATFSQRLNURO-UHFFFAOYSA-N	-1	3	177.203	1.971	10	30		ADEEHM
CCOc1cc(C#N)c(C)cc1[O-]	575670257	352884793	/nfs/dbraw/zinc/88/47/93/352884793.db2.gz	HTAATNNCRPFMEO-UHFFFAOYSA-N	-1	3	177.203	1.971	10	30		ADEEHM
CCOc1cc(C)c([O-])c(C#N)c1	575670225	352884834	/nfs/dbraw/zinc/88/48/34/352884834.db2.gz	HDXIJMLJIKCKQF-UHFFFAOYSA-N	-1	3	177.203	1.971	10	30		ADEEHM
CCOc1cc(C)c(C#N)c([O-])c1	575670591	352885244	/nfs/dbraw/zinc/88/52/44/352885244.db2.gz	OBKOIUNHQGTBFH-UHFFFAOYSA-N	-1	3	177.203	1.971	10	30		ADEEHM
CCOc1cc([O-])c(C#N)cc1C	575670946	352885237	/nfs/dbraw/zinc/88/52/37/352885237.db2.gz	PZTWYJDJCYTTKA-UHFFFAOYSA-N	-1	3	177.203	1.971	10	30		ADEEHM
CCOc1cc([O-])c(C)cc1C#N	575670927	352885366	/nfs/dbraw/zinc/88/53/66/352885366.db2.gz	PVXXZQPBIXGVLK-UHFFFAOYSA-N	-1	3	177.203	1.971	10	30		ADEEHM
CCOc1cc(C)cc([O-])c1C#N	575671087	352885392	/nfs/dbraw/zinc/88/53/92/352885392.db2.gz	TXUXHPJEJCERDL-UHFFFAOYSA-N	-1	3	177.203	1.971	10	30		ADEEHM
CCOc1cc(C#N)cc(C)c1[O-]	575670938	352885459	/nfs/dbraw/zinc/88/54/59/352885459.db2.gz	PYDVRBIIILASNQ-UHFFFAOYSA-N	-1	3	177.203	1.971	10	30		ADEEHM
CCOc1c(C)cc(C#N)cc1[O-]	575670599	352885682	/nfs/dbraw/zinc/88/56/82/352885682.db2.gz	OGYQLMBOLUQHGC-UHFFFAOYSA-N	-1	3	177.203	1.971	10	30		ADEEHM
COc1cc([O-])c(OC)c(C#N)c1	575671421	352886217	/nfs/dbraw/zinc/88/62/17/352886217.db2.gz	JVTFPPYKBLLWOH-UHFFFAOYSA-N	-1	3	179.175	1.281	10	30		ADEEHM
CCOc1c(F)cc([O-])cc1CC#N	575694662	352886834	/nfs/dbraw/zinc/88/68/34/352886834.db2.gz	AQILHALTVTVQBO-UHFFFAOYSA-N	-1	3	195.193	1.996	10	30		ADEEHM
CCOc1cc(F)c([O-])c(CC#N)c1	575695861	352887626	/nfs/dbraw/zinc/88/76/26/352887626.db2.gz	HBPVRKYTPLFVEU-UHFFFAOYSA-N	-1	3	195.193	1.996	10	30		ADEEHM
CCOc1cc([O-])c(F)cc1CC#N	575695115	352887729	/nfs/dbraw/zinc/88/77/29/352887729.db2.gz	CEWRDEVOQVMQME-UHFFFAOYSA-N	-1	3	195.193	1.996	10	30		ADEEHM
CCOc1cc(CC#N)c(F)cc1[O-]	575696710	352888112	/nfs/dbraw/zinc/88/81/12/352888112.db2.gz	MKDVYRFZMDFYNX-UHFFFAOYSA-N	-1	3	195.193	1.996	10	30		ADEEHM
CCOc1cc([O-])c(F)c(CC#N)c1	575696147	352888278	/nfs/dbraw/zinc/88/82/78/352888278.db2.gz	JVDYQJSDHSOMCA-UHFFFAOYSA-N	-1	3	195.193	1.996	10	30		ADEEHM
CCOc1cc([O-])cc(F)c1CC#N	575697225	352888902	/nfs/dbraw/zinc/88/89/02/352888902.db2.gz	QTGYDAHDABXYGW-UHFFFAOYSA-N	-1	3	195.193	1.996	10	30		ADEEHM
CCOc1c([O-])cc(F)cc1CC#N	575697216	352888920	/nfs/dbraw/zinc/88/89/20/352888920.db2.gz	QOVUSVLWEIUNAR-UHFFFAOYSA-N	-1	3	195.193	1.996	10	30		ADEEHM
CCOc1cc(F)c([O-])cc1CC#N	575697219	352888974	/nfs/dbraw/zinc/88/89/74/352888974.db2.gz	QRHYGFLQFZENKL-UHFFFAOYSA-N	-1	3	195.193	1.996	10	30		ADEEHM
CCOc1cc(F)cc([O-])c1CC#N	575697636	352889415	/nfs/dbraw/zinc/88/94/15/352889415.db2.gz	ZBMMZIVQVZADMS-UHFFFAOYSA-N	-1	3	195.193	1.996	10	30		ADEEHM
CCOc1cc([O-])c(CC#N)cc1F	575697624	352889463	/nfs/dbraw/zinc/88/94/63/352889463.db2.gz	YQMYWUGZPORAHU-UHFFFAOYSA-N	-1	3	195.193	1.996	10	30		ADEEHM
CCOc1cc(CC#N)c([O-])cc1F	575697638	352889596	/nfs/dbraw/zinc/88/95/96/352889596.db2.gz	ZDKLLDRYYHAGRN-UHFFFAOYSA-N	-1	3	195.193	1.996	10	30		ADEEHM
CCOc1cc([O-])c(CC#N)c(F)c1	575697609	352889726	/nfs/dbraw/zinc/88/97/26/352889726.db2.gz	XXTUXGISKQOSBF-UHFFFAOYSA-N	-1	3	195.193	1.996	10	30		ADEEHM
COc1cc([O-])c(F)cc1CC#N	575704710	352891107	/nfs/dbraw/zinc/89/11/07/352891107.db2.gz	BLCJPKDUYDNCPU-UHFFFAOYSA-N	-1	3	181.166	1.606	10	30		ADEEHM
COc1c([O-])cc(F)cc1CC#N	575706340	352891760	/nfs/dbraw/zinc/89/17/60/352891760.db2.gz	UVOOJBDHOPVUKO-UHFFFAOYSA-N	-1	3	181.166	1.606	10	30		ADEEHM
N#CCc1c(N)ccc([O-])c1Cl	575715535	352893510	/nfs/dbraw/zinc/89/35/10/352893510.db2.gz	JDDUUTJPAYLZFN-UHFFFAOYSA-N	-1	3	182.610	1.694	10	30		ADEEHM
N#CCc1cc(Cl)c([O-])cc1N	575715392	352893578	/nfs/dbraw/zinc/89/35/78/352893578.db2.gz	ASYRINPPKUDQQB-UHFFFAOYSA-N	-1	3	182.610	1.694	10	30		ADEEHM
N#CCc1cc(N)cc(Cl)c1[O-]	575715600	352893600	/nfs/dbraw/zinc/89/36/00/352893600.db2.gz	LECLPPATOHPOPR-UHFFFAOYSA-N	-1	3	182.610	1.694	10	30		ADEEHM
N#CCc1cc(N)cc([O-])c1Cl	575715550	352893628	/nfs/dbraw/zinc/89/36/28/352893628.db2.gz	JWWHDDDQYPCSHS-UHFFFAOYSA-N	-1	3	182.610	1.694	10	30		ADEEHM
N#CCc1c([O-])cc(N)cc1Cl	575715608	352893655	/nfs/dbraw/zinc/89/36/55/352893655.db2.gz	LJPCHBVIQNXVBE-UHFFFAOYSA-N	-1	3	182.610	1.694	10	30		ADEEHM
N#CCc1c(N)cc(Cl)cc1[O-]	575715530	352893660	/nfs/dbraw/zinc/89/36/60/352893660.db2.gz	IURRHHADQCVLQZ-UHFFFAOYSA-N	-1	3	182.610	1.694	10	30		ADEEHM
N#CCc1ccc(N)c([O-])c1Cl	575715545	352893683	/nfs/dbraw/zinc/89/36/83/352893683.db2.gz	JRDFNEAAAFMDDP-UHFFFAOYSA-N	-1	3	182.610	1.694	10	30		ADEEHM
N#CCc1cc(N)c([O-])c(Cl)c1	575715851	352894182	/nfs/dbraw/zinc/89/41/82/352894182.db2.gz	UVUPVHHHYKFCPG-UHFFFAOYSA-N	-1	3	182.610	1.694	10	30		ADEEHM
N#CCc1ccc(Cl)c([O-])c1N	575715766	352894397	/nfs/dbraw/zinc/89/43/97/352894397.db2.gz	QLDOLRRTORTIOW-UHFFFAOYSA-N	-1	3	182.610	1.694	10	30		ADEEHM
N#CCc1ccc([O-])c(Cl)c1N	575715757	352894318	/nfs/dbraw/zinc/89/43/18/352894318.db2.gz	PYQGEZMJWNEKHT-UHFFFAOYSA-N	-1	3	182.610	1.694	10	30		ADEEHM
N#CCc1cc(N)c(Cl)c([O-])c1	575715911	352894373	/nfs/dbraw/zinc/89/43/73/352894373.db2.gz	YPUMDJNEOVUDAV-UHFFFAOYSA-N	-1	3	182.610	1.694	10	30		ADEEHM
N#CCc1cc(Cl)c(N)cc1[O-]	575715930	352894380	/nfs/dbraw/zinc/89/43/80/352894380.db2.gz	ZPBXRTAIFRTNLC-UHFFFAOYSA-N	-1	3	182.610	1.694	10	30		ADEEHM
N#CCc1cc([O-])c(Cl)cc1N	575715880	352894451	/nfs/dbraw/zinc/89/44/51/352894451.db2.gz	WRWOTACEHHSIEC-UHFFFAOYSA-N	-1	3	182.610	1.694	10	30		ADEEHM
N#CCc1c([O-])ccc(Cl)c1N	575715708	352894456	/nfs/dbraw/zinc/89/44/56/352894456.db2.gz	NZAMBOGXZNMQAV-UHFFFAOYSA-N	-1	3	182.610	1.694	10	30		ADEEHM
N#CCc1c(N)cc([O-])cc1F	575717700	352896202	/nfs/dbraw/zinc/89/62/02/352896202.db2.gz	AJSVRGXYDMFDJK-UHFFFAOYSA-N	-1	3	166.155	1.180	10	30		ADEEHM
N#CCc1cc(F)c([O-])cc1N	575717873	352896914	/nfs/dbraw/zinc/89/69/14/352896914.db2.gz	CSLPCRZCOOWFTB-UHFFFAOYSA-N	-1	3	166.155	1.180	10	30		ADEEHM
N#CCc1cc(N)c(F)c([O-])c1	575718006	352897221	/nfs/dbraw/zinc/89/72/21/352897221.db2.gz	FFYHPVKGUROKHS-UHFFFAOYSA-N	-1	3	166.155	1.180	10	30		ADEEHM
N#CCc1c(N)ccc(F)c1[O-]	575718279	352897599	/nfs/dbraw/zinc/89/75/99/352897599.db2.gz	HTOVWEXHUMAGKH-UHFFFAOYSA-N	-1	3	166.155	1.180	10	30		ADEEHM
N#CCc1c(F)ccc(N)c1[O-]	575718551	352898164	/nfs/dbraw/zinc/89/81/64/352898164.db2.gz	LPYZXWRJGBMSOY-UHFFFAOYSA-N	-1	3	166.155	1.180	10	30		ADEEHM
N#CCc1ccc(N)c(F)c1[O-]	575718649	352898692	/nfs/dbraw/zinc/89/86/92/352898692.db2.gz	NHRVFJOEGGPPEK-UHFFFAOYSA-N	-1	3	166.155	1.180	10	30		ADEEHM
N#CCc1cc(N)cc([O-])c1F	575719014	352899453	/nfs/dbraw/zinc/89/94/53/352899453.db2.gz	UEUAQGKBMZIQIC-UHFFFAOYSA-N	-1	3	166.155	1.180	10	30		ADEEHM
N#CCc1c([O-])cc(N)cc1F	575719068	352899467	/nfs/dbraw/zinc/89/94/67/352899467.db2.gz	VITCBXWQNMTQCM-UHFFFAOYSA-N	-1	3	166.155	1.180	10	30		ADEEHM
N#CCc1c(N)cc(F)cc1[O-]	575719036	352899492	/nfs/dbraw/zinc/89/94/92/352899492.db2.gz	UUQJJQTWIDACSY-UHFFFAOYSA-N	-1	3	166.155	1.180	10	30		ADEEHM
N#CCc1ccc([O-])c(F)c1N	575719137	352899497	/nfs/dbraw/zinc/89/94/97/352899497.db2.gz	XEJRWCGPUDZLSL-UHFFFAOYSA-N	-1	3	166.155	1.180	10	30		ADEEHM
N#Cc1c([O-])ccc(N)c1Cl	575720041	352900823	/nfs/dbraw/zinc/90/08/23/352900823.db2.gz	CTRSTPYEVNZXBK-UHFFFAOYSA-N	-1	3	168.583	1.499	10	30		ADEEHM
N#Cc1c(Cl)ccc([O-])c1N	575720767	352901079	/nfs/dbraw/zinc/90/10/79/352901079.db2.gz	SCNNEYCEZXTDGA-UHFFFAOYSA-N	-1	3	168.583	1.499	10	30		ADEEHM
N#Cc1cc([O-])cc(N)c1Cl	575721068	352901267	/nfs/dbraw/zinc/90/12/67/352901267.db2.gz	WBMZENZFXNFFCH-UHFFFAOYSA-N	-1	3	168.583	1.499	10	30		ADEEHM
N#Cc1cc([O-])cc(Cl)c1N	575720747	352901466	/nfs/dbraw/zinc/90/14/66/352901466.db2.gz	RRLUFFSKLGRIEI-UHFFFAOYSA-N	-1	3	168.583	1.499	10	30		ADEEHM
N#Cc1cc(Cl)cc([O-])c1N	575720637	352901516	/nfs/dbraw/zinc/90/15/16/352901516.db2.gz	NRCWCVKXCYYZKT-UHFFFAOYSA-N	-1	3	168.583	1.499	10	30		ADEEHM
N#Cc1cc([O-])c(N)c(Cl)c1	575721221	352901970	/nfs/dbraw/zinc/90/19/70/352901970.db2.gz	ZQCBAPWHKDDVRV-UHFFFAOYSA-N	-1	3	168.583	1.499	10	30		ADEEHM
CCCCC[C@@H](O)/C=N/[O-]	238217649	371726079	/nfs/dbraw/zinc/72/60/79/371726079.db2.gz	ANLUDECFANOTOE-UQBZRGDZSA-N	-1	3	145.202	1.388	10	30		ADEEHM
COc1ccc(C(C)=N[O-])c(OC)c1	254867935	371737693	/nfs/dbraw/zinc/73/76/93/371737693.db2.gz	OBCGXYPKGONMMZ-UHFFFAOYSA-N	-1	3	195.218	1.902	10	30		ADEEHM
CN/N=C(/C)c1cc(Cl)ccc1[O-]	306499416	371758221	/nfs/dbraw/zinc/75/82/21/371758221.db2.gz	JNPKFPKHSYONOM-SDQBBNPISA-N	-1	3	198.653	1.989	10	30		ADEEHM
N#Cc1cc(F)c([O-])c([C@@H](N)CF)c1	307355356	371779306	/nfs/dbraw/zinc/77/93/06/371779306.db2.gz	YHZZXRAYBKTLAB-QMMMGPOBSA-N	-1	3	198.172	1.372	10	30		ADEEHM
N#Cc1cc(F)c([O-])c([C@H](N)CF)c1	307355354	371779340	/nfs/dbraw/zinc/77/93/40/371779340.db2.gz	YHZZXRAYBKTLAB-MRVPVSSYSA-N	-1	3	198.172	1.372	10	30		ADEEHM
[N-]=[N+]=Nc1cc[n-]c(=O)c1[N+](=O)[O-]	575463785	371820661	/nfs/dbraw/zinc/82/06/61/371820661.db2.gz	CKVPHWBHBXIHHO-UHFFFAOYSA-N	-1	3	181.111	1.637	10	30		ADEEHM
C=CCN(C)C(=O)c1cccc([O-])c1	131372789	375393887	/nfs/dbraw/zinc/39/38/87/375393887.db2.gz	IKXBEZXCAWNHGZ-UHFFFAOYSA-N	-1	3	191.230	1.650	10	30		ADEEHM
CC(=N[O-])c1scnc1C	387851061	409946295	/nfs/dbraw/zinc/94/62/95/409946295.db2.gz	CVPHKJGYQNSBBU-UHFFFAOYSA-N	-1	3	156.210	1.650	10	30		ADEEHM
C#Cc1ccc2cccnc2c1[O-]	606303641	410136380	/nfs/dbraw/zinc/13/63/80/410136380.db2.gz	XTCHGHUNZCQBKY-UHFFFAOYSA-N	-1	3	169.183	1.922	10	30		ADEEHM
O=CCc1coc2cccc([O-])c12	258208249	572996258	/nfs/dbraw/zinc/99/62/58/572996258.db2.gz	ONZRBUSYXIKMIQ-UHFFFAOYSA-N	-1	3	176.171	1.880	10	30		ADEEHM
Cc1nc(-c2nc[n-]c2C#N)oc1C	259594136	572996287	/nfs/dbraw/zinc/99/62/87/572996287.db2.gz	ACRHVCPCXXWLIU-UHFFFAOYSA-N	-1	3	188.190	1.553	10	30		ADEEHM
Cc1nc(-c2[n-]cnc2C#N)oc1C	259594136	572996296	/nfs/dbraw/zinc/99/62/96/572996296.db2.gz	ACRHVCPCXXWLIU-UHFFFAOYSA-N	-1	3	188.190	1.553	10	30		ADEEHM
CCOc1ccc(N)c(/C=N/[O-])c1	238286289	573111190	/nfs/dbraw/zinc/11/11/90/573111190.db2.gz	CAIVFKSCYHDFHA-IZZDOVSWSA-N	-1	3	180.207	1.476	10	30		ADEEHM
N#Cc1cc(C(=O)c2ccccc2)n[n-]1	259349673	573168291	/nfs/dbraw/zinc/16/82/91/573168291.db2.gz	CPYVNSLJDOMEDB-UHFFFAOYSA-N	-1	3	197.197	1.512	10	30		ADEEHM
N#Cc1cc(C(=O)c2ccccc2)[n-]n1	259349673	573168300	/nfs/dbraw/zinc/16/83/00/573168300.db2.gz	CPYVNSLJDOMEDB-UHFFFAOYSA-N	-1	3	197.197	1.512	10	30		ADEEHM
CC(C#N)=S([O-])c1cccs1	82788817	573200545	/nfs/dbraw/zinc/20/05/45/573200545.db2.gz	JIPYZCVAZSYCAY-KGFZYKRKSA-N	-1	3	185.273	1.768	10	30		ADEEHM
C#CCN[C@@H](C)c1ccc([O-])cc1F	235525255	573205397	/nfs/dbraw/zinc/20/53/97/573205397.db2.gz	COWDQIUBYUICLM-QMMMGPOBSA-N	-1	3	193.221	1.815	10	30		ADEEHM
N#CC=C([O-])c1c[nH]c2cccnc12	74281803	573205741	/nfs/dbraw/zinc/20/57/41/573205741.db2.gz	TZQRHUAXDNYCFD-UHFFFAOYSA-N	-1	3	185.186	1.659	10	30		ADEEHM
CCO[P@@]1(=O)C=CC([O-])=C1	238313003	573208810	/nfs/dbraw/zinc/20/88/10/573208810.db2.gz	PPUMXXQDCDKYJN-JTQLQIEISA-N	-1	3	160.109	1.397	10	30		ADEEHM
COc1c([O-])cc([C@H](C)O)cc1C#N	257971155	573212636	/nfs/dbraw/zinc/21/26/36/573212636.db2.gz	CXHIEHDVECSSJU-LURJTMIESA-N	-1	3	193.202	1.326	10	30		ADEEHM
N#Cc1cc2oc3ncncc3c2[n-]1	259603571	573212908	/nfs/dbraw/zinc/21/29/08/573212908.db2.gz	FJHPBFXXFPIYCX-UHFFFAOYSA-N	-1	3	184.158	1.576	10	30		ADEEHM
CCC1=CC(=N)C([O-])=CC1=O	238309143	573225245	/nfs/dbraw/zinc/22/52/45/573225245.db2.gz	KADNDWSAOYCDBE-UHFFFAOYSA-N	-1	3	151.165	1.367	10	30		ADEEHM
COc1cc([O-])c(F)c(CC#N)c1F	258240948	573230325	/nfs/dbraw/zinc/23/03/25/573230325.db2.gz	WVCUVSXBCRPEKX-UHFFFAOYSA-N	-1	3	199.156	1.745	10	30		ADEEHM
CCc1ccc2nnc(C#N)c-2[n-]1	259388772	573237584	/nfs/dbraw/zinc/23/75/84/573237584.db2.gz	IWIUGVIYPBZORA-UHFFFAOYSA-N	-1	3	172.191	1.392	10	30		ADEEHM
CCc1ccc2n[n-]c(C#N)c2n1	259388772	573237590	/nfs/dbraw/zinc/23/75/90/573237590.db2.gz	IWIUGVIYPBZORA-UHFFFAOYSA-N	-1	3	172.191	1.392	10	30		ADEEHM
CCc1ccc2[n-]nc(C#N)c2n1	259388772	573237597	/nfs/dbraw/zinc/23/75/97/573237597.db2.gz	IWIUGVIYPBZORA-UHFFFAOYSA-N	-1	3	172.191	1.392	10	30		ADEEHM
N#Cc1c([O-])c[nH]c1-c1ccccn1	259388764	573239431	/nfs/dbraw/zinc/23/94/31/573239431.db2.gz	IVLVEVKPTFXDIA-UHFFFAOYSA-N	-1	3	185.186	1.654	10	30		ADEEHM
N#C[N-]C(=O)C1(N)CCCCC1	86076179	573247263	/nfs/dbraw/zinc/24/72/63/573247263.db2.gz	SQQPADPGECESRX-UHFFFAOYSA-N	-1	3	167.212	1.086	10	30		ADEEHM
C[C@@H]1CCC[C@@](N)(C(=O)[N-]C#N)C1	86075919	573247274	/nfs/dbraw/zinc/24/72/74/573247274.db2.gz	ISBNTTUPVJPVHM-APPZFPTMSA-N	-1	3	181.239	1.332	10	30		ADEEHM
N#Cc1[n-]c(=S)n2ccccc12	259389198	573247295	/nfs/dbraw/zinc/24/72/95/573247295.db2.gz	JUEJHIXGQGUQJL-UHFFFAOYSA-N	-1	3	175.216	1.495	10	30		ADEEHM
N#C[N-]C(=O)[C@H](CN)c1ccccc1	86075983	573247386	/nfs/dbraw/zinc/24/73/86/573247386.db2.gz	XGSAWABCTZWKST-SECBINFHSA-N	-1	3	189.218	1.166	10	30		ADEEHM
C/C(=N\N(C)C)c1ccccc1[O-]	105261707	573251643	/nfs/dbraw/zinc/25/16/43/573251643.db2.gz	KALUQYQAFFEUHX-DHZHZOJOSA-N	-1	3	178.235	1.678	10	30		ADEEHM
Cc1cc(CC#N)c(F)c([O-])c1O	257978976	573251723	/nfs/dbraw/zinc/25/17/23/573251723.db2.gz	JJHBVCKMXHPTAJ-UHFFFAOYSA-N	-1	3	181.166	1.611	10	30		ADEEHM
[O-]/N=C/c1cccc(/C=N/O)c1	105270660	573251774	/nfs/dbraw/zinc/25/17/74/573251774.db2.gz	ASXTXOMUMSZVPY-NXZHAISVSA-N	-1	3	164.164	1.303	10	30		ADEEHM
C[C@@H](C(=O)[N-]C#N)N1[C@H](C)CC[C@H]1C	86077124	573251877	/nfs/dbraw/zinc/25/18/77/573251877.db2.gz	WYQJDUXAWAUKOX-HLTSFMKQSA-N	-1	3	195.266	1.685	10	30		ADEEHM
Cn1cc([O-])c(C#N)c1-c1cc[nH]c1	259391627	573252032	/nfs/dbraw/zinc/25/20/32/573252032.db2.gz	JBYDGUXUNIMYCM-UHFFFAOYSA-N	-1	3	187.202	1.597	10	30		ADEEHM
COc1c(F)ccc(CCC=O)c1[O-]	257979393	573252176	/nfs/dbraw/zinc/25/21/76/573252176.db2.gz	DQCMBKWAPXFFEF-UHFFFAOYSA-N	-1	3	198.193	1.671	10	30		ADEEHM
COc1c([O-])cc(CC#N)cc1C#N	257986948	573272243	/nfs/dbraw/zinc/27/22/43/573272243.db2.gz	FDQWIKKXZTWPKN-UHFFFAOYSA-N	-1	3	188.186	1.339	10	30		ADEEHM
COc1cc(F)c(F)c(CC#N)c1[O-]	257987681	573273997	/nfs/dbraw/zinc/27/39/97/573273997.db2.gz	AXSHMJBLYNZGFO-UHFFFAOYSA-N	-1	3	199.156	1.745	10	30		ADEEHM
COc1cc(CCC=O)c([O-])cc1F	257984733	573274496	/nfs/dbraw/zinc/27/44/96/573274496.db2.gz	FAFCLLLXHBFXOX-UHFFFAOYSA-N	-1	3	198.193	1.671	10	30		ADEEHM
COCc1ccc(C#N)cc1[O-]	238325222	573291893	/nfs/dbraw/zinc/29/18/93/573291893.db2.gz	XUYFHOOGWVIVTQ-UHFFFAOYSA-N	-1	3	163.176	1.410	10	30		ADEEHM
Cc1cc([O-])cc(C#N)c1F	257998682	573299198	/nfs/dbraw/zinc/29/91/98/573299198.db2.gz	LNHKIIPWHKPMHO-UHFFFAOYSA-N	-1	3	151.140	1.711	10	30		ADEEHM
Cc1cc(C=N[O-])oc1C	254569864	573303275	/nfs/dbraw/zinc/30/32/75/573303275.db2.gz	WOVDGQFOMRLKIA-UHFFFAOYSA-N	-1	3	139.154	1.705	10	30		ADEEHM
CNc1cccc([O-])c1C#N	238339139	573303582	/nfs/dbraw/zinc/30/35/82/573303582.db2.gz	XVNJCYQMMAGKGH-UHFFFAOYSA-N	-1	3	148.165	1.306	10	30		ADEEHM
Cc1cc(C(=O)[O-])cc(CN)c1C#N	306605453	573326482	/nfs/dbraw/zinc/32/64/82/573326482.db2.gz	PUPPASQQVDDMHE-UHFFFAOYSA-N	-1	3	190.202	1.024	10	30		ADEEHM
CC(C)N1CCCC[C@H]1C#CC(=O)[O-]	258002949	573328892	/nfs/dbraw/zinc/32/88/92/573328892.db2.gz	ANNYSVAKIVFIDP-JTQLQIEISA-N	-1	3	195.262	1.337	10	30		ADEEHM
CC(C)N1CCCC[C@@H]1C#CC(=O)[O-]	258002952	573329668	/nfs/dbraw/zinc/32/96/68/573329668.db2.gz	ANNYSVAKIVFIDP-SNVBAGLBSA-N	-1	3	195.262	1.337	10	30		ADEEHM
COc1ccc2c(c1)C(=N[O-])CCN2	308353135	573342209	/nfs/dbraw/zinc/34/22/09/573342209.db2.gz	NPYWMENZMMOPOP-UHFFFAOYSA-N	-1	3	192.218	1.689	10	30		ADEEHM
N#CC1(c2ccc(O)c(F)c2[O-])CC1	214709440	573342436	/nfs/dbraw/zinc/34/24/36/573342436.db2.gz	IMDYQVVEQODLOJ-UHFFFAOYSA-N	-1	3	193.177	1.792	10	30		ADEEHM
N#Cc1c[n-]cc([N+](=O)[O-])c1=S	307079738	573347931	/nfs/dbraw/zinc/34/79/31/573347931.db2.gz	NTOWRAZTQRMAJY-UHFFFAOYSA-N	-1	3	181.176	1.150	10	30		ADEEHM
C/C(=N\CCCO)c1ccccc1[O-]	308368438	573366559	/nfs/dbraw/zinc/36/65/59/573366559.db2.gz	NAOFGBLOFJTAHE-FMIVXFBMSA-N	-1	3	193.246	1.584	10	30		ADEEHM
Cc1ccc(C([O-])=C(C#N)C#N)s1	117853964	573370287	/nfs/dbraw/zinc/37/02/87/573370287.db2.gz	DZMBEHHDNXLQMR-UHFFFAOYSA-N	-1	3	190.227	1.903	10	30		ADEEHM
[O-]/N=C/c1cncc(Cl)c1	118197925	573388698	/nfs/dbraw/zinc/38/86/98/573388698.db2.gz	VBTYPRVPDQLVHO-YCRREMRBSA-N	-1	3	156.572	1.543	10	30		ADEEHM
COc1cc([O-])c(C#N)cc1C	238388026	573399656	/nfs/dbraw/zinc/39/96/56/573399656.db2.gz	NNHHHBYUHWSCCY-UHFFFAOYSA-N	-1	3	163.176	1.581	10	30		ADEEHM
C#CCONCc1cc([O-])cc(F)c1	308577062	573412402	/nfs/dbraw/zinc/41/24/02/573412402.db2.gz	NFBJRXYNUHTYRV-UHFFFAOYSA-N	-1	3	195.193	1.186	10	30		ADEEHM
C#C[C@@H](OC)c1ccccc1[O-]	238390850	573424630	/nfs/dbraw/zinc/42/46/30/573424630.db2.gz	TYHLVIDSGKPRRY-SNVBAGLBSA-N	-1	3	162.188	1.713	10	30		ADEEHM
C=CCC[C@@H]1CC(=O)C(C)=C1[O-]	238390641	573425086	/nfs/dbraw/zinc/42/50/86/573425086.db2.gz	KGEFMKMJHSJBAZ-HTQZYQBOSA-N	-1	3	166.220	1.747	10	30		ADEEHM
C[C@@H]1C=CC[C@H]2C(=O)C=C([O-])[C@H]12	238401845	573457438	/nfs/dbraw/zinc/45/74/38/573457438.db2.gz	CUAVUMSUCQHWHW-MATHAZKKSA-N	-1	3	164.204	1.839	10	30		ADEEHM
C[C@H](C=O)Cc1cccc(F)c1[O-]	238409415	573469822	/nfs/dbraw/zinc/46/98/22/573469822.db2.gz	AFJYDPDGENELQT-ZETCQYMHSA-N	-1	3	182.194	1.909	10	30		ADEEHM
C[C@H](C=O)Cc1cccc([O-])c1F	238409819	573470694	/nfs/dbraw/zinc/47/06/94/573470694.db2.gz	TYHSDIQIKUURSS-ZETCQYMHSA-N	-1	3	182.194	1.909	10	30		ADEEHM
O=CCCc1ccc(F)c([O-])c1O	258045132	573473589	/nfs/dbraw/zinc/47/35/89/573473589.db2.gz	KBHUZJIBNCPQJZ-UHFFFAOYSA-N	-1	3	184.166	1.368	10	30		ADEEHM
O=CCCc1ccc(F)c(O)c1[O-]	258045132	573473583	/nfs/dbraw/zinc/47/35/83/573473583.db2.gz	KBHUZJIBNCPQJZ-UHFFFAOYSA-N	-1	3	184.166	1.368	10	30		ADEEHM
CC(C#N)=C([O-])c1ccccc1O	238411954	573474796	/nfs/dbraw/zinc/47/47/96/573474796.db2.gz	GJPZVZSTBVQVFR-SSDOTTSWSA-N	-1	3	175.187	1.735	10	30		ADEEHM
CN1CCCc2c1ccc(C#N)c2[O-]	258045299	573475785	/nfs/dbraw/zinc/47/57/85/573475785.db2.gz	KFSJEOYPFKTSDU-UHFFFAOYSA-N	-1	3	188.230	1.646	10	30		ADEEHM
Cc1c([C@@H](C)C#N)nc[n-]c1=O	107287564	573479260	/nfs/dbraw/zinc/47/92/60/573479260.db2.gz	MWPNUBVLGIDUPN-YFKPBYRVSA-N	-1	3	163.180	1.118	10	30		ADEEHM
Cc1[nH]c(-c2cccnc2)c(C#N)c1[O-]	259467185	573479568	/nfs/dbraw/zinc/47/95/68/573479568.db2.gz	POVQCBXRTZZFTG-UHFFFAOYSA-N	-1	3	199.213	1.962	10	30		ADEEHM
Cc1[nH]c(-c2cc[nH]c2)c(C#N)c1[O-]	259469531	573485228	/nfs/dbraw/zinc/48/52/28/573485228.db2.gz	PWKJIEYBROAKLD-UHFFFAOYSA-N	-1	3	187.202	1.896	10	30		ADEEHM
C=CCCC(C)(C)N1CC(=O)[N-]C1=O	717638140	573485634	/nfs/dbraw/zinc/48/56/34/573485634.db2.gz	RFWLTTCXQXTKCV-UHFFFAOYSA-N	-1	3	196.250	1.283	10	30		ADEEHM
N#Cc1ncc(-c2ccco2)[n-]1	259612265	573491463	/nfs/dbraw/zinc/49/14/63/573491463.db2.gz	DZJDVYHNHLMWAO-UHFFFAOYSA-N	-1	3	159.148	1.541	10	30		ADEEHM
N#Cc1nc(-c2ccco2)c[n-]1	259612265	573491464	/nfs/dbraw/zinc/49/14/64/573491464.db2.gz	DZJDVYHNHLMWAO-UHFFFAOYSA-N	-1	3	159.148	1.541	10	30		ADEEHM
C[C@H](C=O)Cc1ccc([O-])cc1F	238408187	573494354	/nfs/dbraw/zinc/49/43/54/573494354.db2.gz	RTRVJSSZNDTFGX-ZETCQYMHSA-N	-1	3	182.194	1.909	10	30		ADEEHM
CC[C@@H](C)O[N-]C(=O)CCCC#N	308400039	573509166	/nfs/dbraw/zinc/50/91/66/573509166.db2.gz	GOJWZMIRXOHSNT-MRVPVSSYSA-N	-1	3	184.239	1.527	10	30		ADEEHM
CC[C@H](C)O[N-]C(=O)CCCC#N	308400040	573509350	/nfs/dbraw/zinc/50/93/50/573509350.db2.gz	GOJWZMIRXOHSNT-QMMMGPOBSA-N	-1	3	184.239	1.527	10	30		ADEEHM
N#Cc1cc2c(C=O)c[n-]c2o1	259613977	573519202	/nfs/dbraw/zinc/51/92/02/573519202.db2.gz	FCQCUEZZNYFBFW-UHFFFAOYSA-N	-1	3	160.132	1.445	10	30		ADEEHM
N#CC[C@H]1CCCc2c1nc[n-]c2=O	259484549	573519792	/nfs/dbraw/zinc/51/97/92/573519792.db2.gz	CGUNGKDUBKBUMK-SSDOTTSWSA-N	-1	3	189.218	1.516	10	30		ADEEHM
O=CCc1c([O-])ccc(F)c1F	107333158	573531965	/nfs/dbraw/zinc/53/19/65/573531965.db2.gz	JANXCZXIWRLJHD-UHFFFAOYSA-N	-1	3	172.130	1.412	10	30		ADEEHM
O=CCc1cc(F)c(F)cc1[O-]	107333160	573532169	/nfs/dbraw/zinc/53/21/69/573532169.db2.gz	JSCLYZFERTZEBM-UHFFFAOYSA-N	-1	3	172.130	1.412	10	30		ADEEHM
C=CCC[C@@H]1CC(=O)C(C)=C1[O-]	238434233	573536789	/nfs/dbraw/zinc/53/67/89/573536789.db2.gz	KGEFMKMJHSJBAZ-JGVFFNPUSA-N	-1	3	166.220	1.747	10	30		ADEEHM
COc1ccc(CCC=O)c([O-])c1F	258053542	573537227	/nfs/dbraw/zinc/53/72/27/573537227.db2.gz	KSACCCAGMZCMRT-UHFFFAOYSA-N	-1	3	198.193	1.671	10	30		ADEEHM
C[C@@H](CC=O)c1ccc(O)c(F)c1[O-]	258056407	573538283	/nfs/dbraw/zinc/53/82/83/573538283.db2.gz	LCIVCUVJEVXYAV-LURJTMIESA-N	-1	3	198.193	1.929	10	30		ADEEHM
Cc1ccoc1/C=N/[O-]	224259866	573538203	/nfs/dbraw/zinc/53/82/03/573538203.db2.gz	UXARVJRXMBFIBA-QPJJXVBHSA-N	-1	3	125.127	1.396	10	30		ADEEHM
CSCC(=O)C(C#N)=C([O-])C(C)C	393535671	573560009	/nfs/dbraw/zinc/56/00/09/573560009.db2.gz	CMWOAIZRTJQWOD-ZETCQYMHSA-N	-1	3	199.275	1.283	10	30		ADEEHM
Cc1nc(-c2ncsn2)[n-]c1C#N	259520514	573585775	/nfs/dbraw/zinc/58/57/75/573585775.db2.gz	SHOASMDVIABWRJ-UHFFFAOYSA-N	-1	3	191.219	1.108	10	30		ADEEHM
Cc1[n-]c(-c2ncsn2)nc1C#N	259520514	573585781	/nfs/dbraw/zinc/58/57/81/573585781.db2.gz	SHOASMDVIABWRJ-UHFFFAOYSA-N	-1	3	191.219	1.108	10	30		ADEEHM
N#Cc1cc2[n-]c(C=O)cc2o1	259616127	573594080	/nfs/dbraw/zinc/59/40/80/573594080.db2.gz	FKFDMRUNFOPJGH-UHFFFAOYSA-N	-1	3	160.132	1.445	10	30		ADEEHM
CN(C)/C=N/c1ncccc1[O-]	75546741	573610198	/nfs/dbraw/zinc/61/01/98/573610198.db2.gz	KUYQKUAXYVTBQS-UXBLZVDNSA-N	-1	3	165.196	1.009	10	30		ADEEHM
N#Cc1cnnc(-c2cccc([O-])c2)c1	259531828	573622535	/nfs/dbraw/zinc/62/25/35/573622535.db2.gz	BSCSFPCMUOZRRL-UHFFFAOYSA-N	-1	3	197.197	1.721	10	30		ADEEHM
[O-]N=Cc1cccc(-n2cccn2)c1	254758797	573632206	/nfs/dbraw/zinc/63/22/06/573632206.db2.gz	HKDKCFOJVTVDLF-UHFFFAOYSA-N	-1	3	187.202	1.680	10	30		ADEEHM
C[C@H]1CCC(=C[O-])C(=O)S1	238466812	573638130	/nfs/dbraw/zinc/63/81/30/573638130.db2.gz	SPCJHISNKNLGBS-WHEKYOLUSA-N	-1	3	158.222	1.870	10	30		ADEEHM
O=S(=O)(C[S-])c1cccs1	259152120	573655978	/nfs/dbraw/zinc/65/59/78/573655978.db2.gz	FTUGAFLBGIIZJQ-UHFFFAOYSA-N	-1	3	194.302	1.409	10	30		ADEEHM
Cc1cc(CCCO)cc(C#N)c1[O-]	258083170	573656439	/nfs/dbraw/zinc/65/64/39/573656439.db2.gz	NFXVHFRAMPBDCA-UHFFFAOYSA-N	-1	3	191.230	1.497	10	30		ADEEHM
C=CCNc1nc(/C(C)=N\[O-])cs1	238474387	573664086	/nfs/dbraw/zinc/66/40/86/573664086.db2.gz	BJPRFKZSCLBOCY-WDZFZDKYSA-N	-1	3	197.263	1.939	10	30		ADEEHM
CC(C)Cc1cc([O-])c(C#N)n1C	259545267	573668967	/nfs/dbraw/zinc/66/89/67/573668967.db2.gz	CMFMHDSSXXXKPI-UHFFFAOYSA-N	-1	3	178.235	1.801	10	30		ADEEHM
C[C@H](S)C(C)(C)c1nccc(=O)[n-]1	238469968	573679752	/nfs/dbraw/zinc/67/97/52/573679752.db2.gz	HXNDPNIOHSXMKE-LURJTMIESA-N	-1	3	198.291	1.366	10	30		ADEEHM
COc1cc(C#N)cc(C(C)=O)c1[O-]	258093321	573682705	/nfs/dbraw/zinc/68/27/05/573682705.db2.gz	OAXCTZVZAFWSHH-UHFFFAOYSA-N	-1	3	191.186	1.475	10	30		ADEEHM
O=CCCc1c(F)ccc(O)c1[O-]	258093395	573686082	/nfs/dbraw/zinc/68/60/82/573686082.db2.gz	OBULPSMRUQRLTE-UHFFFAOYSA-N	-1	3	184.166	1.368	10	30		ADEEHM
N#Cc1c([O-])ccc2c1OCCO2	258086492	573698394	/nfs/dbraw/zinc/69/83/94/573698394.db2.gz	WGXPLPHCYCESEL-UHFFFAOYSA-N	-1	3	177.159	1.035	10	30		ADEEHM
C[C@](N)(CC#N)c1cc(F)ccc1[O-]	238493479	573715366	/nfs/dbraw/zinc/71/53/66/573715366.db2.gz	IDNIDLGRAOFUGG-JTQLQIEISA-N	-1	3	194.209	1.619	10	30		ADEEHM
Cc1cc(CCC=O)cc([O-])c1F	258098392	573715394	/nfs/dbraw/zinc/71/53/94/573715394.db2.gz	OMPVUJQLCXRODP-UHFFFAOYSA-N	-1	3	182.194	1.971	10	30		ADEEHM
C=CCNC(=O)c1cc([S-])cs1	236635208	573731381	/nfs/dbraw/zinc/73/13/81/573731381.db2.gz	XDTJPXSRIPVWFQ-UHFFFAOYSA-N	-1	3	199.300	1.953	10	30		ADEEHM
CCCC(C#N)=C([O-])c1ncccn1	130046629	573751311	/nfs/dbraw/zinc/75/13/11/573751311.db2.gz	MSAVCZRYFJWPAC-QMMMGPOBSA-N	-1	3	189.218	1.599	10	30		ADEEHM
CCCC(C#N)=C([O-])c1ncccn1	130046831	573751493	/nfs/dbraw/zinc/75/14/93/573751493.db2.gz	MSAVCZRYFJWPAC-MRVPVSSYSA-N	-1	3	189.218	1.599	10	30		ADEEHM
O=CCCc1cc([O-])c(O)c(F)c1	258121139	573757055	/nfs/dbraw/zinc/75/70/55/573757055.db2.gz	QMTHAYUJVCIGDY-UHFFFAOYSA-N	-1	3	184.166	1.368	10	30		ADEEHM
O=CCCc1cc(O)c([O-])c(F)c1	258121139	573757061	/nfs/dbraw/zinc/75/70/61/573757061.db2.gz	QMTHAYUJVCIGDY-UHFFFAOYSA-N	-1	3	184.166	1.368	10	30		ADEEHM
C=C(C)C[C@@H]1CC(=O)C=C1[O-]	238097257	573769890	/nfs/dbraw/zinc/76/98/90/573769890.db2.gz	FQXPEQBPDTVYGK-SSDOTTSWSA-N	-1	3	152.193	1.501	10	30		ADEEHM
C#CC(C)(C)NC/C=C(\CC)C(=O)[O-]	308436161	573775351	/nfs/dbraw/zinc/77/53/51/573775351.db2.gz	OWBZOFBHEQWNLB-VQHVLOKHSA-N	-1	3	195.262	1.409	10	30		ADEEHM
C[C@H](O)c1ccc(/C=N\[O-])cc1	100221484	573781984	/nfs/dbraw/zinc/78/19/84/573781984.db2.gz	FQVRFXRMZTVRKK-LOBLAWFCSA-N	-1	3	165.192	1.548	10	30		ADEEHM
CC(=O)C(Br)=C[O-]	100220963	573782191	/nfs/dbraw/zinc/78/21/91/573782191.db2.gz	RXXQKTSOBMGARS-DUXPYHPUSA-N	-1	3	164.986	1.370	10	30		ADEEHM
CC([O-])=C(Br)C=O	100220963	573782198	/nfs/dbraw/zinc/78/21/98/573782198.db2.gz	RXXQKTSOBMGARS-DUXPYHPUSA-N	-1	3	164.986	1.370	10	30		ADEEHM
CC1(C)[C@H](/C=N\[O-])C1(F)F	100239331	573783875	/nfs/dbraw/zinc/78/38/75/573783875.db2.gz	AHBXASJJTPKBKS-REGZWMCOSA-N	-1	3	149.140	1.738	10	30		ADEEHM
CC1(C)[C@@H](/C=N\[O-])C1(F)F	100239333	573784047	/nfs/dbraw/zinc/78/40/47/573784047.db2.gz	AHBXASJJTPKBKS-VCNFZWTGSA-N	-1	3	149.140	1.738	10	30		ADEEHM
C=C[C@H](CC)OC(=O)c1cn[n-]c1	308431671	573784277	/nfs/dbraw/zinc/78/42/77/573784277.db2.gz	UIDLMBCTGMNYRA-MRVPVSSYSA-N	-1	3	180.207	1.531	10	30		ADEEHM
Cc1cccc2[n-]c(=O)c(C#N)c-2c1	238528036	573804019	/nfs/dbraw/zinc/80/40/19/573804019.db2.gz	MBAIZNSQEAQNSJ-UHFFFAOYSA-N	-1	3	184.198	1.660	10	30		ADEEHM
CC(=O)Cc1cc(C)c([O-])c(C#N)c1	258133743	573804076	/nfs/dbraw/zinc/80/40/76/573804076.db2.gz	RTFVWJJTTCPNCQ-UHFFFAOYSA-N	-1	3	189.214	1.704	10	30		ADEEHM
Cc1ccc([O-])c(CCC=O)c1F	258133633	573804082	/nfs/dbraw/zinc/80/40/82/573804082.db2.gz	RPZLPXYDYZAAEK-UHFFFAOYSA-N	-1	3	182.194	1.971	10	30		ADEEHM
C[C@H](C#N)c1ccc(-c2nnn[n-]2)cc1	214968457	573804149	/nfs/dbraw/zinc/80/41/49/573804149.db2.gz	QMGFHKHCNBHICM-SSDOTTSWSA-N	-1	3	199.217	1.494	10	30		ADEEHM
C[C@H](C#N)c1ccc(-c2nn[n-]n2)cc1	214968457	573804155	/nfs/dbraw/zinc/80/41/55/573804155.db2.gz	QMGFHKHCNBHICM-SSDOTTSWSA-N	-1	3	199.217	1.494	10	30		ADEEHM
N#CCCc1ccc(-c2nnn[n-]2)cc1	214968653	573804318	/nfs/dbraw/zinc/80/43/18/573804318.db2.gz	QMSZTKICHHRFPT-UHFFFAOYSA-N	-1	3	199.217	1.323	10	30		ADEEHM
N#CCCc1ccc(-c2nn[n-]n2)cc1	214968653	573804326	/nfs/dbraw/zinc/80/43/26/573804326.db2.gz	QMSZTKICHHRFPT-UHFFFAOYSA-N	-1	3	199.217	1.323	10	30		ADEEHM
CN(C)c1ccc2c(c1)/C(=N\[O-])CC2	100533028	573807422	/nfs/dbraw/zinc/80/74/22/573807422.db2.gz	QJTHPWDGRSOYKE-QXMHVHEDSA-N	-1	3	190.246	1.877	10	30		ADEEHM
Cc1cc2c(o1)CCC(C#N)=C2[O-]	223544790	573810720	/nfs/dbraw/zinc/81/07/20/573810720.db2.gz	QXXOGGBAMYZWKQ-ZETCQYMHSA-N	-1	3	175.187	1.857	10	30		ADEEHM
C#Cc1nccc(C)c1[O-]	209747013	573810802	/nfs/dbraw/zinc/81/08/02/573810802.db2.gz	ZZMOLEWYDDXCLR-UHFFFAOYSA-N	-1	3	133.150	1.077	10	30		ADEEHM
CC(C)CC1=CC(=C[O-])C(=O)O1	238132249	573814385	/nfs/dbraw/zinc/81/43/85/573814385.db2.gz	GRIZVLACIMMJQG-ZETCQYMHSA-N	-1	3	168.192	1.288	10	30		ADEEHM
Cc1c(C(=O)[O-])ccc(CN)c1C#N	306721530	573831188	/nfs/dbraw/zinc/83/11/88/573831188.db2.gz	OULJGHCIDODSGO-UHFFFAOYSA-N	-1	3	190.202	1.024	10	30		ADEEHM
CC(=NO)C(=N[O-])Nc1ccccc1	393564299	573832272	/nfs/dbraw/zinc/83/22/72/573832272.db2.gz	HDEVCEDHLCISGA-UHFFFAOYSA-N	-1	3	193.206	1.736	10	30		ADEEHM
C=C(C)c1cc2c[n-]c(=O)nc2o1	238160682	573846830	/nfs/dbraw/zinc/84/68/30/573846830.db2.gz	PZDKLLZTRVQLSZ-UHFFFAOYSA-N	-1	3	176.175	1.549	10	30		ADEEHM
Cc1c([O-])cnc(C(F)F)c1C#N	238544072	573858583	/nfs/dbraw/zinc/85/85/83/573858583.db2.gz	GYRNPWZKBYIWRU-UHFFFAOYSA-N	-1	3	184.145	1.905	10	30		ADEEHM
N#Cc1ccc([C@@H](N)CC(=O)[O-])s1	306452131	573858781	/nfs/dbraw/zinc/85/87/81/573858781.db2.gz	FNMUELXPKQVFEZ-LURJTMIESA-N	-1	3	196.231	1.094	10	30		ADEEHM
N#Cc1ccc([C@H](N)CC(=O)[O-])s1	306452132	573858898	/nfs/dbraw/zinc/85/88/98/573858898.db2.gz	FNMUELXPKQVFEZ-ZCFIWIBFSA-N	-1	3	196.231	1.094	10	30		ADEEHM
C=C[C@@H](N)c1cccc(C)c1C(=O)[O-]	238546138	573859149	/nfs/dbraw/zinc/85/91/49/573859149.db2.gz	PZDNKHIOKGXFQE-SECBINFHSA-N	-1	3	191.230	1.879	10	30		ADEEHM
CC(=O)Cc1cc(C#N)c([O-])cc1O	258165645	573861837	/nfs/dbraw/zinc/86/18/37/573861837.db2.gz	VIXDFBPTLXCQKT-UHFFFAOYSA-N	-1	3	191.186	1.101	10	30		ADEEHM
C=C[C@@H](N)c1cccc(C(=O)[O-])c1C	238551880	573876137	/nfs/dbraw/zinc/87/61/37/573876137.db2.gz	MZWUMXNEQFTALA-SNVBAGLBSA-N	-1	3	191.230	1.879	10	30		ADEEHM
Cc1ccc(C2=CC(=O)C(=O)[N-]2)cc1	238554964	573884623	/nfs/dbraw/zinc/88/46/23/573884623.db2.gz	JAPLUPVIZMKBBF-UHFFFAOYSA-N	-1	3	187.198	1.035	10	30		ADEEHM
CC(=O)/C=C/c1ncccc1[O-]	145046986	573890584	/nfs/dbraw/zinc/89/05/84/573890584.db2.gz	RKRVCIRTPLEFLB-SNAWJCMRSA-N	-1	3	163.176	1.389	10	30		ADEEHM
C=C[C@@H](N)c1c(F)cc([O-])cc1F	238562454	573891440	/nfs/dbraw/zinc/89/14/40/573891440.db2.gz	NSTDQBFPDINJTR-MRVPVSSYSA-N	-1	3	185.173	1.856	10	30		ADEEHM
CC1(C)O[C@H]1C1=C([O-])CCC1=O	238189931	573899201	/nfs/dbraw/zinc/89/92/01/573899201.db2.gz	VFDGZNZMAOWCPL-QMMMGPOBSA-N	-1	3	168.192	1.339	10	30		ADEEHM
C=C[C@H](C)NCc1[nH]ccc1C(=O)[O-]	308461273	573901451	/nfs/dbraw/zinc/90/14/51/573901451.db2.gz	GINSVUJTQJYBLJ-ZETCQYMHSA-N	-1	3	194.234	1.377	10	30		ADEEHM
N#Cc1cscc1[C@H](N)CC(=O)[O-]	306366467	573903352	/nfs/dbraw/zinc/90/33/52/573903352.db2.gz	GVSXUMSFHGLIAU-SSDOTTSWSA-N	-1	3	196.231	1.094	10	30		ADEEHM
[O-]/N=C/c1csc(F)c1	145063286	573914318	/nfs/dbraw/zinc/91/43/18/573914318.db2.gz	NELUVNMHKGEXFA-FARCUNLSSA-N	-1	3	145.158	1.695	10	30		ADEEHM
C=C(C)C[N-]C(=S)OC(C)C	238184907	573914390	/nfs/dbraw/zinc/91/43/90/573914390.db2.gz	GZEBVXSVNWMIJB-UHFFFAOYSA-N	-1	3	173.281	1.862	10	30		ADEEHM
C#CCN[C@@](C)(CC(C)C)C(=O)[O-]	41730868	573914767	/nfs/dbraw/zinc/91/47/67/573914767.db2.gz	MWZDOBKBECPFRP-JTQLQIEISA-N	-1	3	183.251	1.099	10	30		ADEEHM
C=CC[C@@H](Nc1ccncc1)C(=O)[O-]	127590096	573926825	/nfs/dbraw/zinc/92/68/25/573926825.db2.gz	BLJZHWALCQIXCP-SECBINFHSA-N	-1	3	192.218	1.523	10	30		ADEEHM
N#CCc1cc2c(c(F)c1[O-])OCO2	258184400	573938017	/nfs/dbraw/zinc/93/80/17/573938017.db2.gz	WWNAEYHOFWOKDH-UHFFFAOYSA-N	-1	3	195.149	1.326	10	30		ADEEHM
C=CCO[C@@H]([O-])C(F)(F)F	118669223	573937461	/nfs/dbraw/zinc/93/74/61/573937461.db2.gz	RTZDHGLRSLLAGM-SCSAIBSYSA-N	-1	3	156.103	1.070	10	30		ADEEHM
COc1cc(C#N)cc([C@H](C)O)c1[O-]	258184286	573941169	/nfs/dbraw/zinc/94/11/69/573941169.db2.gz	WUVSFUJBJNTMQC-LURJTMIESA-N	-1	3	193.202	1.326	10	30		ADEEHM
CC[C@H](C(=O)[O-])N(CCC#N)C(C)C	42529523	573963344	/nfs/dbraw/zinc/96/33/44/573963344.db2.gz	WOCONSIYNKOMCM-SECBINFHSA-N	-1	3	198.266	1.474	10	30		ADEEHM
CC[C@H](C(=O)[O-])N(CCC#N)C1CC1	42547343	573977133	/nfs/dbraw/zinc/97/71/33/573977133.db2.gz	FWTWCLHWAXDVEK-SECBINFHSA-N	-1	3	196.250	1.228	10	30		ADEEHM
O=CC=C([O-])c1ccncc1	110898765	573984569	/nfs/dbraw/zinc/98/45/69/573984569.db2.gz	HOTYZPZTRWKDFV-ZZXKWVIFSA-N	-1	3	149.149	1.336	10	30		ADEEHM
O=C(C=C[O-])c1ccncc1	110898765	573984573	/nfs/dbraw/zinc/98/45/73/573984573.db2.gz	HOTYZPZTRWKDFV-ZZXKWVIFSA-N	-1	3	149.149	1.336	10	30		ADEEHM
O=CC=C([O-])c1ccccn1	110898742	573985396	/nfs/dbraw/zinc/98/53/96/573985396.db2.gz	UBYGNWSLXJTVDL-GQCTYLIASA-N	-1	3	149.149	1.336	10	30		ADEEHM
O=C(C=C[O-])c1ccccn1	110898742	573985399	/nfs/dbraw/zinc/98/53/99/573985399.db2.gz	UBYGNWSLXJTVDL-GQCTYLIASA-N	-1	3	149.149	1.336	10	30		ADEEHM
CC(C)(C)C(=O)C(F)=C[O-]	104465178	573991575	/nfs/dbraw/zinc/99/15/75/573991575.db2.gz	OLBSYGVCRBASRQ-RXMQYKEDSA-N	-1	3	146.161	1.139	10	30		ADEEHM
CC(C)(C)C([O-])=C(F)C=O	104465178	573991580	/nfs/dbraw/zinc/99/15/80/573991580.db2.gz	OLBSYGVCRBASRQ-RXMQYKEDSA-N	-1	3	146.161	1.139	10	30		ADEEHM
Cc1cc([N-]C(=O)C2(C#N)CC2)on1	87671559	574007705	/nfs/dbraw/zinc/00/77/05/574007705.db2.gz	CLNFLSHVNLKLGY-UHFFFAOYSA-N	-1	3	191.190	1.225	10	30		ADEEHM
N#CC[C@@H](N)c1c(F)ccc(N)c1[O-]	104509287	574018546	/nfs/dbraw/zinc/01/85/46/574018546.db2.gz	ZNWUZOHAUGIYRP-ZCFIWIBFSA-N	-1	3	195.197	1.027	10	30		ADEEHM
Cc1cc([O-])c([C@@H](N)CC#N)cc1F	104506014	574020853	/nfs/dbraw/zinc/02/08/53/574020853.db2.gz	KCQZSJKKIGJBBK-VIFPVBQESA-N	-1	3	194.209	1.753	10	30		ADEEHM
N#CCc1nnc([C@H]2CCCS2)[n-]1	87717260	574023778	/nfs/dbraw/zinc/02/37/78/574023778.db2.gz	KNRHPXXCMGDMTN-ZCFIWIBFSA-N	-1	3	194.263	1.439	10	30		ADEEHM
N#CCc1nc([C@H]2CCCS2)n[n-]1	87717260	574023781	/nfs/dbraw/zinc/02/37/81/574023781.db2.gz	KNRHPXXCMGDMTN-ZCFIWIBFSA-N	-1	3	194.263	1.439	10	30		ADEEHM
N#CCc1n[n-]c([C@H]2CCCS2)n1	87717260	574023783	/nfs/dbraw/zinc/02/37/83/574023783.db2.gz	KNRHPXXCMGDMTN-ZCFIWIBFSA-N	-1	3	194.263	1.439	10	30		ADEEHM
N#CC[C@@H](N)c1cc(N)c(F)cc1[O-]	104515862	574023836	/nfs/dbraw/zinc/02/38/36/574023836.db2.gz	MTGVWGVCWOPSQZ-SSDOTTSWSA-N	-1	3	195.197	1.027	10	30		ADEEHM
CCC[C@H](O)[S-]	112980146	574044308	/nfs/dbraw/zinc/04/43/08/574044308.db2.gz	HKNNAYPWWDWHFR-SCSAIBSYSA-N	-1	3	106.190	1.035	10	30		ADEEHM
CCC[C@@H](O)[S-]	112980145	574044812	/nfs/dbraw/zinc/04/48/12/574044812.db2.gz	HKNNAYPWWDWHFR-BYPYZUCNSA-N	-1	3	106.190	1.035	10	30		ADEEHM
C=CCCCC(=O)[N-]OCCC	844084857	629730016	/nfs/dbraw/zinc/73/00/16/629730016.db2.gz	IDLJYFSGFXQMRD-UHFFFAOYSA-N	-1	3	171.240	1.801	10	30		ADEEHM
CC[C@@H](C#N)[N-]C(=O)C(C)(F)F	307059096	630146104	/nfs/dbraw/zinc/14/61/04/630146104.db2.gz	HCJMEGXOXROZKP-YFKPBYRVSA-N	-1	3	176.166	1.060	10	30		ADEEHM
CC[C@H](C#N)[N-]C(=O)C(C)(F)F	307059095	630146727	/nfs/dbraw/zinc/14/67/27/630146727.db2.gz	HCJMEGXOXROZKP-RXMQYKEDSA-N	-1	3	176.166	1.060	10	30		ADEEHM
CON=Cc1nc(C)ccc1[O-]	307972549	630201063	/nfs/dbraw/zinc/20/10/63/630201063.db2.gz	IDKLCVYKEIYXBQ-UHFFFAOYSA-N	-1	3	166.180	1.076	10	30		ADEEHM
C=CCO[N-]C(=O)C1(C2CC2)CCC1	909283057	630784443	/nfs/dbraw/zinc/78/44/43/630784443.db2.gz	QAQWZJHMHQZMSA-UHFFFAOYSA-N	-1	3	195.262	1.801	10	30		ADEEHM
C[C@@H]1CCC(=NN=c2cc[n-]n2C)C1	814907681	630937208	/nfs/dbraw/zinc/93/72/08/630937208.db2.gz	UOEVGSAFEPVJTE-MRVPVSSYSA-N	-1	3	192.266	1.430	10	30		ADEEHM
C=CCCO[N-]C(=O)CCC(F)F	856035009	630992486	/nfs/dbraw/zinc/99/24/86/630992486.db2.gz	PSLYDRDUONKSGU-UHFFFAOYSA-N	-1	3	193.193	1.656	10	30		ADEEHM
C=C[C@H](CC)CC(=O)[N-]OC	929852668	631103253	/nfs/dbraw/zinc/10/32/53/631103253.db2.gz	DNSBDHVCMVKQRP-SSDOTTSWSA-N	-1	3	157.213	1.266	10	30		ADEEHM
C=C[C@@H](CC)CC(=O)[N-]OC	929852669	631103905	/nfs/dbraw/zinc/10/39/05/631103905.db2.gz	DNSBDHVCMVKQRP-ZETCQYMHSA-N	-1	3	157.213	1.266	10	30		ADEEHM
N#CCCNCc1cccc(F)c1[O-]	159151379	631154159	/nfs/dbraw/zinc/15/41/59/631154159.db2.gz	UKLFBWWPMIWEDR-UHFFFAOYSA-N	-1	3	194.209	1.535	10	30		ADEEHM
[O-]N=Cc1cccc(O)c1	252369953	631165631	/nfs/dbraw/zinc/16/56/31/631165631.db2.gz	IIEZCGOWIADGFY-UHFFFAOYSA-N	-1	3	137.138	1.200	10	30		ADEEHM
Cc1c(/C(Cl)=N\[O-])cnn1C	102176596	525512739	/nfs/dbraw/zinc/51/27/39/525512739.db2.gz	LFYZLWGGLSQRLW-RMKNXTFCSA-N	-1	3	173.603	1.103	10	30	in-vitro	ADEEHM
N#CCCc1ccc(F)c([O-])c1	213867684	1224216079	/nfs/dbraw/zinc/21/60/79/1224216079.db2.gz	GHENOHNHEHHLJT-UHFFFAOYSA-N	-1	3	165.167	1.987	10	30		ADEEHM
N#CCCc1ccc(F)cc1[O-]	213867601	1224216947	/nfs/dbraw/zinc/21/69/47/1224216947.db2.gz	OYIHJFWNXRPGIB-UHFFFAOYSA-N	-1	3	165.167	1.987	10	30		ADEEHM
N#CCCc1ccc([O-])c(C#N)c1	214024359	1224217410	/nfs/dbraw/zinc/21/74/10/1224217410.db2.gz	UFPJRZVCMPYKCJ-UHFFFAOYSA-N	-1	3	172.187	1.720	10	30		ADEEHM
N#CCCc1cc([O-])cc(F)c1	306585292	1224267798	/nfs/dbraw/zinc/26/77/98/1224267798.db2.gz	QTFUPNQNFYPETD-UHFFFAOYSA-N	-1	3	165.167	1.987	10	30		ADEEHM
CCO[N-]C(=O)C#Cc1cccs1	1440854413	1224473577	/nfs/dbraw/zinc/47/35/77/1224473577.db2.gz	QUXQWBXRBMPFOL-UHFFFAOYSA-N	-1	3	195.243	1.167	10	30		ADEEHM
C=CCO[N-]C(=O)CCCCOC	1468107330	1224477654	/nfs/dbraw/zinc/47/76/54/1224477654.db2.gz	JFWRLMOQBBIXAM-UHFFFAOYSA-N	-1	3	187.239	1.037	10	30		ADEEHM
C=CCO[N-]C(=O)C1CC(F)(F)C1	1468107534	1224478207	/nfs/dbraw/zinc/47/82/07/1224478207.db2.gz	NLVHCOYYVWTVIG-UHFFFAOYSA-N	-1	3	191.177	1.266	10	30		ADEEHM
C=CCO[N-]C(=O)CC1CCOCC1	1556633399	1224484627	/nfs/dbraw/zinc/48/46/27/1224484627.db2.gz	DFWXHTUTEOZMDJ-UHFFFAOYSA-N	-1	3	199.250	1.037	10	30		ADEEHM
Cc1ccc2c(c1)CCC(=O)N2[O-]	137667260	526145598	/nfs/dbraw/zinc/14/55/98/526145598.db2.gz	NISXXRZQTABGJW-UHFFFAOYSA-N	-1	3	177.203	1.663	10	30		ADEEHM
[O-]/N=C\c1cnn(CC(F)(F)F)c1	102203565	527589504	/nfs/dbraw/zinc/58/95/04/527589504.db2.gz	FSBBOBJCFUDRLP-FUQNDXKWSA-N	-1	3	193.128	1.254	10	30		ADEEHM