smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#CC=C([O-])c1cc(Br)ccc1F	ZINC000019477888	181033853	/nfs/dbraw/zinc/03/38/53/181033853.db2.gz	AWDLMQBTCYAQCQ-UHFFFAOYSA-N	-1	1	242.047	2.685	10	30		BFEEMM
N#Cc1cc([O-])cc(-c2cccc(C=O)c2)c1	ZINC000065341312	181091197	/nfs/dbraw/zinc/09/11/97/181091197.db2.gz	GBJJNAHXBUITFL-UHFFFAOYSA-N	-1	1	223.231	2.743	10	30		BFEEMM
O=C1c2ccccc2O[C@@H](c2ccccc2)N1[O-]	ZINC000005139013	384101236	/nfs/dbraw/zinc/10/12/36/384101236.db2.gz	REYPFGVUOUTVNT-AWEZNQCLSA-N	-1	1	241.246	2.609	10	30		BFEEMM
CCOc1cc([O-])c(C#N)c(C(F)(F)F)c1	ZINC000575671616	387335636	/nfs/dbraw/zinc/33/56/36/387335636.db2.gz	ZMXZPHPZTSRGFQ-UHFFFAOYSA-N	-1	1	231.173	2.681	10	30		BFEEMM
CCc1cc([O-])cc(C(F)(F)F)c1C#N	ZINC000575672834	387339840	/nfs/dbraw/zinc/33/98/40/387339840.db2.gz	PURVXPQAQGLFQU-UHFFFAOYSA-N	-1	1	215.174	2.845	10	30		BFEEMM
CCOC(=O)c1cc([O-])c2cc(C#N)ccc2c1	ZINC000095937695	170292855	/nfs/dbraw/zinc/29/28/55/170292855.db2.gz	FRIGEDZXVYWFPY-UHFFFAOYSA-N	-1	1	241.246	2.594	10	30		BFEEMM
C/C(=N\[O-])c1cccc(OCC(F)(F)F)c1	ZINC000019809337	187252729	/nfs/dbraw/zinc/25/27/29/187252729.db2.gz	JWORUYSKCIAXHC-VGOFMYFVSA-N	-1	1	233.189	2.826	10	30		BFEEMM
N#CC=C([O-])c1cc(F)c(Cl)cc1F	ZINC000135046853	343625782	/nfs/dbraw/zinc/62/57/82/343625782.db2.gz	TZRSKOHMKNBWPV-UHFFFAOYSA-N	-1	1	215.586	2.715	10	30		BFEEMM
N#Cc1cccc(-c2ncc(Cl)cc2[O-])c1	ZINC000536953898	343652800	/nfs/dbraw/zinc/65/28/00/343652800.db2.gz	LAFGXIXZHGYVQE-UHFFFAOYSA-N	-1	1	230.654	2.979	10	30		BFEEMM
C=CC[N-]C(=S)SCCC(C)C	ZINC000205854456	343657408	/nfs/dbraw/zinc/65/74/08/343657408.db2.gz	VVDWIVHOMDGORT-UHFFFAOYSA-N	-1	1	203.376	2.826	10	30		BFEEMM
C=CCc1c([O-])c(C)cc2c(C)cc(=O)oc21	ZINC000039477203	350116978	/nfs/dbraw/zinc/11/69/78/350116978.db2.gz	JNBUPTZEQSSROS-UHFFFAOYSA-N	-1	1	230.263	2.844	10	30		BFEEMM
N#Cc1cc(-c2ccc(C=O)s2)ccc1[O-]	ZINC000065341382	181080869	/nfs/dbraw/zinc/08/08/69/181080869.db2.gz	QWACAUJEVOXQTC-UHFFFAOYSA-N	-1	1	229.260	2.805	10	30		BFEEMM
N#Cc1cc(-c2cccc(C=O)c2)ccc1[O-]	ZINC000065341310	181080957	/nfs/dbraw/zinc/08/09/57/181080957.db2.gz	GIGSNENIIJXHLG-UHFFFAOYSA-N	-1	1	223.231	2.743	10	30		BFEEMM
C=CCC[P@](=O)([O-])C(F)(F)C(F)(F)F	ZINC000584648129	358302902	/nfs/dbraw/zinc/30/29/02/358302902.db2.gz	BUKAZDBPFKXSQO-UHFFFAOYSA-N	-1	1	238.092	2.988	10	30		BFEEMM
C=CCc1c([O-])ccc2c1CCCC2=O	ZINC000141217777	359591155	/nfs/dbraw/zinc/59/11/55/359591155.db2.gz	JIKYHZQYNBIDHI-UHFFFAOYSA-N	-1	1	202.253	2.640	10	30		BFEEMM
C=C(Cl)Cc1c([O-])cc(F)cc1F	ZINC000575579108	387047828	/nfs/dbraw/zinc/04/78/28/387047828.db2.gz	XXWLABSXYHADFM-UHFFFAOYSA-N	-1	1	204.603	2.965	10	30		BFEEMM
N#CCc1cc([O-])c(F)c(C(F)(F)F)c1	ZINC000575702438	387406872	/nfs/dbraw/zinc/40/68/72/387406872.db2.gz	DSBBPGUCEAIKJQ-UHFFFAOYSA-N	-1	1	219.137	2.616	10	30		BFEEMM
O=C(C=C[O-])c1ccc(F)cc1Cl	ZINC000217191211	344700575	/nfs/dbraw/zinc/70/05/75/344700575.db2.gz	YFGFMPKDWIAVDW-ARJAWSKDSA-N	-1	1	200.596	2.734	10	30		BFEEMM
N#Cc1cc(-c2cc([O-])cc(F)c2)ccc1O	ZINC000065341370	181080590	/nfs/dbraw/zinc/08/05/90/181080590.db2.gz	MIPKOJFYMYMCRB-UHFFFAOYSA-N	-1	1	229.210	2.776	10	30		BFEEMM
N#Cc1cc(-c2cccc([N+](=O)[O-])c2)ccc1[O-]	ZINC000065341448	181080736	/nfs/dbraw/zinc/08/07/36/181080736.db2.gz	POQRAWTXFLXFBH-UHFFFAOYSA-N	-1	1	240.218	2.839	10	30		BFEEMM
N#Cc1ccc(-c2cccs2)cc1[O-]	ZINC000065341270	181095861	/nfs/dbraw/zinc/09/58/61/181095861.db2.gz	XBOHNSRJECZGLO-UHFFFAOYSA-N	-1	1	201.250	2.992	10	30		BFEEMM
N#CCc1cc(F)c([O-])c(C(F)F)c1	ZINC000575667743	387323908	/nfs/dbraw/zinc/32/39/08/387323908.db2.gz	LXBIECGELBQARR-UHFFFAOYSA-N	-1	1	201.147	2.535	10	30		BFEEMM
CCc1ccc(C#N)c(C(F)(F)F)c1[O-]	ZINC000575672985	387339906	/nfs/dbraw/zinc/33/99/06/387339906.db2.gz	WPCHYJQINIWWCM-UHFFFAOYSA-N	-1	1	215.174	2.845	10	30		BFEEMM
O=C(/C=C\c1ccncc1)c1ccc([O-])cc1	ZINC000096458941	388819614	/nfs/dbraw/zinc/81/96/14/388819614.db2.gz	BNQUTIKQLLGYQB-BHQIHCQQSA-N	-1	1	225.247	2.683	10	30		BFEEMM
COc1cccc(-c2ccc(C#N)c([O-])c2)c1	ZINC000065341344	175234754	/nfs/dbraw/zinc/23/47/54/175234754.db2.gz	OVZZXGYBRBSGMX-UHFFFAOYSA-N	-1	1	225.247	2.939	10	30		BFEEMM
CCO/C=N/[N-]c1nc2ccccc2s1	ZINC000005324519	187247442	/nfs/dbraw/zinc/24/74/42/187247442.db2.gz	AXGRGGHRIJLIIQ-YRNVUSSQSA-N	-1	1	221.285	2.688	10	30		BFEEMM
Cc1ccc2c(c1)C([O-])=CC(=O)C2(C)C	ZINC000196148830	347806655	/nfs/dbraw/zinc/80/66/55/347806655.db2.gz	AAFBPBOTHSMAQV-UHFFFAOYSA-N	-1	1	202.253	2.754	10	30		BFEEMM
N#Cc1cc(-c2csc(C=O)c2)ccc1[O-]	ZINC000065341379	181081635	/nfs/dbraw/zinc/08/16/35/181081635.db2.gz	YQDDAJOOQWYTNY-UHFFFAOYSA-N	-1	1	229.260	2.805	10	30		BFEEMM
N#Cc1cc(-c2cccs2)ccc1[O-]	ZINC000065341269	181081702	/nfs/dbraw/zinc/08/17/02/181081702.db2.gz	DHAHLHIZAYSGKC-UHFFFAOYSA-N	-1	1	201.250	2.992	10	30		BFEEMM
N#Cc1c[n-]c(=O)cc1-c1ccccc1Cl	ZINC000090562812	181079523	/nfs/dbraw/zinc/07/95/23/181079523.db2.gz	SFSVAYNBOJWXHO-UHFFFAOYSA-N	-1	1	230.654	2.567	10	30		BFEEMM
N#Cc1ccc(-c2cccc(N)c2)cc1[O-]	ZINC000065341285	181094980	/nfs/dbraw/zinc/09/49/80/181094980.db2.gz	BFSFZSQLMOGZRF-UHFFFAOYSA-N	-1	1	210.236	2.513	10	30		BFEEMM
N#Cc1ccc(-c2csc(C=O)c2)cc1[O-]	ZINC000065341380	181095659	/nfs/dbraw/zinc/09/56/59/181095659.db2.gz	DKEKQYLRTKIOGG-UHFFFAOYSA-N	-1	1	229.260	2.805	10	30		BFEEMM
N#Cc1cc(=O)c2cc(Br)ccc2[n-]1	ZINC000062623507	181091899	/nfs/dbraw/zinc/09/18/99/181091899.db2.gz	BBNNKXYCIFSAIP-UHFFFAOYSA-N	-1	1	249.067	2.575	10	30		BFEEMM
N#Cc1cc(O)cc(-c2cc([O-])cc(F)c2)c1	ZINC000065341372	181091974	/nfs/dbraw/zinc/09/19/74/181091974.db2.gz	PBKPKGDJNWSXPE-UHFFFAOYSA-N	-1	1	229.210	2.776	10	30		BFEEMM
C=CC[C@@H](C=C)[N-]C(=O)C(Cl)(Cl)Cl	ZINC000584610927	358274503	/nfs/dbraw/zinc/27/45/03/358274503.db2.gz	FNZDOLDHMGPVAW-ZCFIWIBFSA-N	-1	1	242.533	2.604	10	30		BFEEMM
N#CCc1c([O-])cc(Cl)cc1Br	ZINC000217559249	371978707	/nfs/dbraw/zinc/97/87/07/371978707.db2.gz	ICYBIWOMMSWIMK-UHFFFAOYSA-N	-1	1	246.491	2.874	10	30		BFEEMM
C=CCc1cccc(Br)c1[O-]	ZINC000039425505	372969987	/nfs/dbraw/zinc/96/99/87/372969987.db2.gz	PTJOFMJOMTXHGU-UHFFFAOYSA-N	-1	1	213.074	2.883	10	30		BFEEMM
N#CCc1ccc(C(F)F)c(F)c1[O-]	ZINC000575668495	387327016	/nfs/dbraw/zinc/32/70/16/387327016.db2.gz	RBODUVIBSCEECW-UHFFFAOYSA-N	-1	1	201.147	2.535	10	30		BFEEMM
C/C(=N\[O-])c1ccc(Br)cc1F	ZINC000253388105	518469110	/nfs/dbraw/zinc/46/91/10/518469110.db2.gz	LGKZFSKXZSIBJG-VZUCSPMQSA-N	-1	1	232.052	2.786	10	30		BFEEMM
O=C1c2ccc([O-])cc2C/C1=C\c1ccncc1	ZINC000013736278	343102816	/nfs/dbraw/zinc/10/28/16/343102816.db2.gz	BNEKOIAODQYJNM-KPKJPENVSA-N	-1	1	237.258	2.610	10	30		BFEEMM
C=CCc1c([O-])c(C)cc2ccc(=O)oc21	ZINC000039477200	187255647	/nfs/dbraw/zinc/25/56/47/187255647.db2.gz	KZTJBCZPJVHFAK-UHFFFAOYSA-N	-1	1	216.236	2.536	10	30		BFEEMM
CCC(C#N)=C([O-])c1ccc(Br)o1	ZINC000036915994	347963784	/nfs/dbraw/zinc/96/37/84/347963784.db2.gz	BAXVJJBEXFATGU-LURJTMIESA-N	-1	1	242.072	2.775	10	30		BFEEMM
C=CCc1cc(CC)c2c(c1O)/C(=N/[O-])CC2	ZINC000584618037	358283541	/nfs/dbraw/zinc/28/35/41/358283541.db2.gz	IAOPJQKPPYPYJR-NTCAYCPXSA-N	-1	1	231.295	2.808	10	30		BFEEMM
CCCCCC1=C([O-])C(=O)c2cccnc2C1=O	ZINC000584637612	358323621	/nfs/dbraw/zinc/32/36/21/358323621.db2.gz	OXJITRMWIHIDMB-UHFFFAOYSA-N	-1	1	245.278	2.853	10	30		BFEEMM
Cc1cc(Cc2cccc(F)c2)[n-]c(=O)c1C#N	ZINC000584906998	384502542	/nfs/dbraw/zinc/50/25/42/384502542.db2.gz	KQXOTLXATNJSAM-UHFFFAOYSA-N	-1	1	242.253	2.697	10	30		BFEEMM
CCOc1ccc(C#N)c(C(F)(F)F)c1[O-]	ZINC000575670211	387330369	/nfs/dbraw/zinc/33/03/69/387330369.db2.gz	GSZDLAUKBHSWFK-UHFFFAOYSA-N	-1	1	231.173	2.681	10	30		BFEEMM
C=CCN(CC=C)c1nc(C)cc(C)c1C(=O)[O-]	ZINC000037978182	166339000	/nfs/dbraw/zinc/33/90/00/166339000.db2.gz	YUFJDSYYMVTJIK-UHFFFAOYSA-N	-1	1	246.310	2.575	10	30		BFEEMM
O=C1c2ccc([O-])cc2CC/C1=C/c1cocn1	ZINC000588561449	959176481	/nfs/dbraw/zinc/17/64/81/959176481.db2.gz	STUNNFYDKUVOTL-YHYXMXQVSA-N	-1	1	241.246	2.593	10	30		BFEEMM
O=C(C=C[O-])c1c(F)cccc1Cl	ZINC000308465964	342815637	/nfs/dbraw/zinc/81/56/37/342815637.db2.gz	HEVIXJTXGNXBRD-PLNGDYQASA-N	-1	1	200.596	2.734	10	30		BFEEMM
N#CCc1c([O-])cc(Cl)cc1Cl	ZINC000166751341	345137382	/nfs/dbraw/zinc/13/73/82/345137382.db2.gz	UUPCEGUQNGYXBG-UHFFFAOYSA-N	-1	1	202.040	2.765	10	30		BFEEMM
O=C(C=C([O-])c1ccccc1)C(F)(F)F	ZINC000106822361	345789641	/nfs/dbraw/zinc/78/96/41/345789641.db2.gz	FOIZANFRLYGPFF-RMKNXTFCSA-N	-1	1	216.158	2.874	10	30		BFEEMM
N#CC=C([O-])c1cscc1Br	ZINC000404816451	362917314	/nfs/dbraw/zinc/91/73/14/362917314.db2.gz	PWXMJWCOQDTVSJ-UHFFFAOYSA-N	-1	1	230.086	2.607	10	30		BFEEMM
C(=N[N-]c1nc2ccccc2o1)c1ccco1	ZINC000005555089	188277746	/nfs/dbraw/zinc/27/77/46/188277746.db2.gz	GCFITFWBLNXNPZ-JYRVWZFOSA-N	-1	1	227.223	2.867	10	30		BFEEMM
N#Cc1cccc(-c2ccc([O-])c(C#N)c2)c1F	ZINC000065341421	181080758	/nfs/dbraw/zinc/08/07/58/181080758.db2.gz	GBIHXTGZYUJEST-UHFFFAOYSA-N	-1	1	238.221	2.942	10	30		BFEEMM
N#Cc1cc([O-])cc(-c2csc(C=O)c2)c1	ZINC000065341381	181092017	/nfs/dbraw/zinc/09/20/17/181092017.db2.gz	TVAFQYAPPNBCMR-UHFFFAOYSA-N	-1	1	229.260	2.805	10	30		BFEEMM
N#Cc1ccc(F)c(-c2cccc(C=O)c2[O-])c1	ZINC000065341875	181112400	/nfs/dbraw/zinc/11/24/00/181112400.db2.gz	YLPOVZVAFLDFDW-UHFFFAOYSA-N	-1	1	241.221	2.882	10	30		BFEEMM
CCCCC[C@@H]1CC(=O)C(C(C)=O)=C([O-])C1	ZINC000584624658	358293127	/nfs/dbraw/zinc/29/31/27/358293127.db2.gz	CKHOSWGEZDRBBE-JTQLQIEISA-N	-1	1	224.300	2.947	10	30		BFEEMM
CCCCC[C@H]1CC(=O)C(C(C)=O)=C([O-])C1	ZINC000584624658	358293128	/nfs/dbraw/zinc/29/31/28/358293128.db2.gz	CKHOSWGEZDRBBE-JTQLQIEISA-N	-1	1	224.300	2.947	10	30		BFEEMM
COc1ccc(Br)cc1/C(C)=N/[O-]	ZINC000306157738	358949818	/nfs/dbraw/zinc/94/98/18/358949818.db2.gz	OEAWHSHRHIMWHA-IZZDOVSWSA-N	-1	1	244.088	2.656	10	30		BFEEMM
O=C(C=C[O-])c1c(F)cccc1Cl	ZINC000306240097	359410231	/nfs/dbraw/zinc/41/02/31/359410231.db2.gz	HEVIXJTXGNXBRD-SNAWJCMRSA-N	-1	1	200.596	2.734	10	30		BFEEMM
CCCOc1cc(F)ccc1/C(C)=N/[O-]	ZINC000062748610	169315716	/nfs/dbraw/zinc/31/57/16/169315716.db2.gz	CNNJTBRUMAKOJY-MDWZMJQESA-N	-1	1	211.236	2.813	10	30		BFEEMM
CCc1cc(C(F)(F)F)c([O-])cc1C#N	ZINC000575672641	384467005	/nfs/dbraw/zinc/46/70/05/384467005.db2.gz	DIEKLQSIBJURTA-UHFFFAOYSA-N	-1	1	215.174	2.845	10	30		BFEEMM
N#CC=C([O-])c1ccsc1Br	ZINC000575464833	387059402	/nfs/dbraw/zinc/05/94/02/387059402.db2.gz	UKGFAJYUDWYWGM-UHFFFAOYSA-N	-1	1	230.086	2.607	10	30		BFEEMM
N#CCc1c(Br)ccc([O-])c1Cl	ZINC000575675542	387356544	/nfs/dbraw/zinc/35/65/44/387356544.db2.gz	MUNLUVWGPVLADI-UHFFFAOYSA-N	-1	1	246.491	2.874	10	30		BFEEMM
N#Cc1cc([O-])cc(Br)c1Cl	ZINC000575675340	387358652	/nfs/dbraw/zinc/35/86/52/387358652.db2.gz	IFNDLCARMPEUJT-UHFFFAOYSA-N	-1	1	232.464	2.680	10	30		BFEEMM
N#CCc1cc(C(F)F)c([O-])cc1F	ZINC000575667123	387319770	/nfs/dbraw/zinc/31/97/70/387319770.db2.gz	HLLWUDXZLFVLBY-UHFFFAOYSA-N	-1	1	201.147	2.535	10	30		BFEEMM
CCOc1cc([O-])c(C#N)cc1C(F)(F)F	ZINC000575671344	387338117	/nfs/dbraw/zinc/33/81/17/387338117.db2.gz	WSYDXYYMKYZCMV-UHFFFAOYSA-N	-1	1	231.173	2.681	10	30		BFEEMM
C=C(C)Cc1cc(C=O)cc(OCC)c1[O-]	ZINC000039098847	187317994	/nfs/dbraw/zinc/31/79/94/187317994.db2.gz	LDTTZBSHUNMVCW-UHFFFAOYSA-N	-1	1	220.268	2.722	10	30		BFEEMM
[O-]/N=C1\c2ccccc2CC[C@H]1c1cccnc1	ZINC000216312461	349993795	/nfs/dbraw/zinc/99/37/95/349993795.db2.gz	IPCRYAFLOSGRBG-AQTLKONXSA-N	-1	1	238.290	2.990	10	30		BFEEMM
C/C(=N\[O-])c1cccc(NC(=O)c2ccoc2)c1	ZINC000019476750	188280779	/nfs/dbraw/zinc/28/07/79/188280779.db2.gz	DEVXKRCVXOUNDI-OQLLNIDSSA-N	-1	1	244.250	2.730	10	30		BFEEMM
N#Cc1c[n-]c(=O)cc1-c1ccc(Cl)cc1	ZINC000090562805	181079411	/nfs/dbraw/zinc/07/94/11/181079411.db2.gz	HAIFQNJMMFCLNN-UHFFFAOYSA-N	-1	1	230.654	2.567	10	30		BFEEMM
N#Cc1ccc(-c2ccc(C=O)cc2)cc1[O-]	ZINC000065341314	181095488	/nfs/dbraw/zinc/09/54/88/181095488.db2.gz	WRCOJHTVRLJSIX-UHFFFAOYSA-N	-1	1	223.231	2.743	10	30		BFEEMM
O=C(C=C[O-])c1cc(Br)ccc1F	ZINC000131955397	371726234	/nfs/dbraw/zinc/72/62/34/371726234.db2.gz	IFNUYDQPBHCCIG-ONEGZZNKSA-N	-1	1	245.047	2.843	10	30		BFEEMM
CCOc1cc(C(F)(F)F)c([O-])cc1C#N	ZINC000575670969	384462225	/nfs/dbraw/zinc/46/22/25/384462225.db2.gz	QQLCKRMDALFOQG-UHFFFAOYSA-N	-1	1	231.173	2.681	10	30		BFEEMM
N#CCc1c(Cl)ccc([O-])c1Br	ZINC000575675403	384478247	/nfs/dbraw/zinc/47/82/47/384478247.db2.gz	JCYYZRDDSSOBEV-UHFFFAOYSA-N	-1	1	246.491	2.874	10	30		BFEEMM
CCc1cc(C(F)(F)F)cc([O-])c1C#N	ZINC000575672842	387339106	/nfs/dbraw/zinc/33/91/06/387339106.db2.gz	QHMSLGMWIWINCL-UHFFFAOYSA-N	-1	1	215.174	2.845	10	30		BFEEMM
CC(C)N[C@@H](C#N)c1ccc([O-])c(Cl)c1	ZINC000043488957	167129700	/nfs/dbraw/zinc/12/97/00/167129700.db2.gz	VJRJJDLMNQIVIV-JTQLQIEISA-N	-1	1	224.691	2.608	10	30		BFEEMM
N#CC=C([O-])c1cccc(Br)c1F	ZINC000075903717	187278171	/nfs/dbraw/zinc/27/81/71/187278171.db2.gz	NJRKFWCKFGIQSI-UHFFFAOYSA-N	-1	1	242.047	2.685	10	30		BFEEMM
C=C(C)CN(CC)c1nc(C)cc(C)c1C(=O)[O-]	ZINC000038010199	187318618	/nfs/dbraw/zinc/31/86/18/187318618.db2.gz	LQKAWPDUIZFYRK-UHFFFAOYSA-N	-1	1	248.326	2.799	10	30		BFEEMM
Cc1cccc2c1C(C)(C)C(=O)C=C2[O-]	ZINC000196148838	347485884	/nfs/dbraw/zinc/48/58/84/347485884.db2.gz	CZHJNXYNAOFOTE-UHFFFAOYSA-N	-1	1	202.253	2.754	10	30		BFEEMM
CCC(C#N)=C([O-])c1ccc(Br)o1	ZINC000036915995	347963816	/nfs/dbraw/zinc/96/38/16/347963816.db2.gz	BAXVJJBEXFATGU-ZCFIWIBFSA-N	-1	1	242.072	2.775	10	30		BFEEMM
N#Cc1ccc(-c2ccsc2)cc1[O-]	ZINC000065341273	181095606	/nfs/dbraw/zinc/09/56/06/181095606.db2.gz	IFQFPNUAJPLNAZ-UHFFFAOYSA-N	-1	1	201.250	2.992	10	30		BFEEMM
Cc1nc(-c2ccccc2)[n-]c(=O)c1CCC#N	ZINC000584639236	358324431	/nfs/dbraw/zinc/32/44/31/358324431.db2.gz	FNNAHBVJJRBGLO-UHFFFAOYSA-N	-1	1	239.278	2.614	10	30		BFEEMM
O=C1c2ccccc2O[C@H](c2ccccc2)N1[O-]	ZINC000005139003	384100578	/nfs/dbraw/zinc/10/05/78/384100578.db2.gz	REYPFGVUOUTVNT-CQSZACIVSA-N	-1	1	241.246	2.609	10	30		BFEEMM
[O-]/N=C/c1ccc(-c2ccc(O)cc2)cc1O	ZINC000029136209	384921602	/nfs/dbraw/zinc/92/16/02/384921602.db2.gz	SFOYMCBJEFPROT-RIYZIHGNSA-N	-1	1	229.235	2.573	10	30		BFEEMM
Cc1cc(C2CCCCC2)c(C#N)c(=O)[n-]1	ZINC000059092422	385977353	/nfs/dbraw/zinc/97/73/53/385977353.db2.gz	PLNLUZYSEVYBIK-UHFFFAOYSA-N	-1	1	216.284	2.603	10	30		BFEEMM
N#CCc1c([O-])cc(Br)cc1Cl	ZINC000575675467	387357434	/nfs/dbraw/zinc/35/74/34/387357434.db2.gz	KRBPZZJQFKUTFN-UHFFFAOYSA-N	-1	1	246.491	2.874	10	30		BFEEMM
CCOc1cc([O-])cc(C(F)(F)F)c1C#N	ZINC000575670008	387332875	/nfs/dbraw/zinc/33/28/75/387332875.db2.gz	CNUWPQNDEKFGCF-UHFFFAOYSA-N	-1	1	231.173	2.681	10	30		BFEEMM
C=C(Cl)Cc1cc(F)cc(F)c1[O-]	ZINC000575574482	387752223	/nfs/dbraw/zinc/75/22/23/387752223.db2.gz	VVCRFJSLCSXWCU-UHFFFAOYSA-N	-1	1	204.603	2.965	10	30		BFEEMM
COc1ccc(-c2ccc(C#N)c([O-])c2)cc1	ZINC000065341347	175032506	/nfs/dbraw/zinc/03/25/06/175032506.db2.gz	REUYKZVXOVSOFG-UHFFFAOYSA-N	-1	1	225.247	2.939	10	30		BFEEMM
[O-]/N=C1\c2ccccc2CC[C@@H]1c1cccnc1	ZINC000216312377	349993657	/nfs/dbraw/zinc/99/36/57/349993657.db2.gz	IPCRYAFLOSGRBG-DHSYKJLNSA-N	-1	1	238.290	2.990	10	30		BFEEMM
C/C(=N\[O-])c1ccccc1OCc1ccncc1	ZINC000019516567	188108042	/nfs/dbraw/zinc/10/80/42/188108042.db2.gz	ZVIMOZWRJRLXQQ-LFIBNONCSA-N	-1	1	242.278	2.859	10	30		BFEEMM
N#CC=C([O-])c1cc(C(F)(F)F)ccc1F	ZINC000075903715	181034229	/nfs/dbraw/zinc/03/42/29/181034229.db2.gz	YDZBPFUJAQAGFW-UHFFFAOYSA-N	-1	1	231.148	2.941	10	30		BFEEMM
[O-]N=Cc1csc(-c2ccsc2)n1	ZINC000308355723	355374405	/nfs/dbraw/zinc/37/44/05/355374405.db2.gz	AXQBSQKXYAXCSJ-UHFFFAOYSA-N	-1	1	210.283	2.680	10	30		BFEEMM
Cc1ccc(Br)c([O-])c1CC#N	ZINC000216413287	371751244	/nfs/dbraw/zinc/75/12/44/371751244.db2.gz	XDZADTBFPRWFRB-UHFFFAOYSA-N	-1	1	226.073	2.529	10	30		BFEEMM
O=C(/C=C/c1ccccn1)c1ccc([O-])cc1	ZINC000027517889	384029722	/nfs/dbraw/zinc/02/97/22/384029722.db2.gz	RJEMZOVUVURPAM-RMKNXTFCSA-N	-1	1	225.247	2.683	10	30		BFEEMM
N#CCc1c([O-])cc(C(F)F)cc1F	ZINC000575668603	387324048	/nfs/dbraw/zinc/32/40/48/387324048.db2.gz	SNRRTFWLNOEHMP-UHFFFAOYSA-N	-1	1	201.147	2.535	10	30		BFEEMM
CC(C)(C)C#CC(=O)c1ccc([O-])cc1	ZINC000584627009	387503666	/nfs/dbraw/zinc/50/36/66/387503666.db2.gz	BPKRMDAFQIQTOO-UHFFFAOYSA-N	-1	1	202.253	2.624	10	30		BFEEMM
C/C=C/C=C/C(=O)c1ccc(O)c(C)c1[O-]	ZINC000013335227	387820430	/nfs/dbraw/zinc/82/04/30/387820430.db2.gz	GHQDBAZVONWVHX-VNKDHWASSA-N	-1	1	218.252	2.721	10	30		BFEEMM
CC(C)N[C@H](C#N)c1ccc([O-])c(Cl)c1	ZINC000043488958	167136612	/nfs/dbraw/zinc/13/66/12/167136612.db2.gz	VJRJJDLMNQIVIV-SNVBAGLBSA-N	-1	1	224.691	2.608	10	30		BFEEMM
Cc1ccc([O-])c(C(=O)/C=C\c2cocn2)c1	ZINC000588578628	959334925	/nfs/dbraw/zinc/33/49/25/959334925.db2.gz	GKPAUUAPWFJXEE-HYXAFXHYSA-N	-1	1	229.235	2.585	10	30		BFEEMM
CCOc1ccc(Br)cc1C=N[O-]	ZINC000250516377	362807080	/nfs/dbraw/zinc/80/70/80/362807080.db2.gz	OHTNAXRFUOZZOB-UHFFFAOYSA-N	-1	1	244.088	2.656	10	30		BFEEMM
Cc1ncsc1-c1ccc(C#N)c([O-])c1	ZINC000223342200	348232329	/nfs/dbraw/zinc/23/23/29/348232329.db2.gz	VCLMFUPNCBAJRW-UHFFFAOYSA-N	-1	1	216.265	2.696	10	30		BFEEMM
CO/N=C(/C)c1ccc(Br)cc1[O-]	ZINC000307548698	352646703	/nfs/dbraw/zinc/64/67/03/352646703.db2.gz	MTFXDADJAYNTCF-WDZFZDKYSA-N	-1	1	244.088	2.525	10	30		BFEEMM
C=C[C@H](C)c1c([O-])ccc(C(C)=O)c1O	ZINC000075612662	187771613	/nfs/dbraw/zinc/77/16/13/187771613.db2.gz	ORMMBNPUNOBQOS-ZETCQYMHSA-N	-1	1	206.241	2.590	10	30		BFEEMM
C/C(=N\[O-])c1ccccc1OCCCCC#N	ZINC000103351008	188160830	/nfs/dbraw/zinc/16/08/30/188160830.db2.gz	QCDTXFFCAAPOQD-RVDMUPIBSA-N	-1	1	232.283	2.957	10	30		BFEEMM
C=CCn1c(CC(C)(C)C)n[n-]c1=S	ZINC000064872128	188223779	/nfs/dbraw/zinc/22/37/79/188223779.db2.gz	PJHNQEMGXGNEOF-UHFFFAOYSA-N	-1	1	211.334	2.715	10	30		BFEEMM
[O-]/N=C/c1csc(COc2ccccc2)n1	ZINC000095883387	384404864	/nfs/dbraw/zinc/40/48/64/384404864.db2.gz	FSVATIOOWRUXNH-WUXMJOGZSA-N	-1	1	234.280	2.530	10	30		BFEEMM
COc1cc(C)c(Br)cc1/C=N/[O-]	ZINC000575421736	387030569	/nfs/dbraw/zinc/03/05/69/387030569.db2.gz	DGYLGNMQFVHUID-VZUCSPMQSA-N	-1	1	244.088	2.574	10	30		BFEEMM
CCOc1cc(C#N)c(C(F)(F)F)cc1[O-]	ZINC000575669832	387331699	/nfs/dbraw/zinc/33/16/99/387331699.db2.gz	AFSBXYMVMSSWTB-UHFFFAOYSA-N	-1	1	231.173	2.681	10	30		BFEEMM
CCOc1cc(C(F)(F)F)cc([O-])c1C#N	ZINC000575671614	387336908	/nfs/dbraw/zinc/33/69/08/387336908.db2.gz	ZMGQTTSNASDMDP-UHFFFAOYSA-N	-1	1	231.173	2.681	10	30		BFEEMM
C=C(Cl)Cc1ccc(F)c(F)c1[O-]	ZINC000575570848	387736567	/nfs/dbraw/zinc/73/65/67/387736567.db2.gz	ZMZVCCWQOZRVQO-UHFFFAOYSA-N	-1	1	204.603	2.965	10	30		BFEEMM
COc1ccccc1-c1ccc(C#N)c([O-])c1	ZINC000065341341	175309107	/nfs/dbraw/zinc/30/91/07/175309107.db2.gz	AQSGKTBWHQVYCX-UHFFFAOYSA-N	-1	1	225.247	2.939	10	30		BFEEMM
CC/C(=N/[O-])c1cc(Br)ccc1O	ZINC000307579863	398176722	/nfs/dbraw/zinc/17/67/22/398176722.db2.gz	QHRKZFBAWGADAA-FLIBITNWSA-N	-1	1	244.088	2.743	10	30		BFEEMM
O=C(C=C[O-])c1ccc(F)cc1Br	ZINC000236386314	346233756	/nfs/dbraw/zinc/23/37/56/346233756.db2.gz	ZXHQHNKIQAJNRY-ONEGZZNKSA-N	-1	1	245.047	2.843	10	30		BFEEMM
C=C(C)CSc1nc(C)c(CCC)c(=O)[n-]1	ZINC000005919296	188225441	/nfs/dbraw/zinc/22/54/41/188225441.db2.gz	RGNHYZNCWKOHOT-UHFFFAOYSA-N	-1	1	238.356	2.699	10	30		BFEEMM
N#Cc1ccc(-c2cc(F)ccc2O)cc1[O-]	ZINC000065341377	181095230	/nfs/dbraw/zinc/09/52/30/181095230.db2.gz	SYPSYMBJGVALHY-UHFFFAOYSA-N	-1	1	229.210	2.776	10	30		BFEEMM
N#Cc1cc(O)cc(-c2ccc(F)cc2[O-])c1	ZINC000065341375	181091863	/nfs/dbraw/zinc/09/18/63/181091863.db2.gz	WVSYSTFSIWKSQX-UHFFFAOYSA-N	-1	1	229.210	2.776	10	30		BFEEMM
N#Cc1cc([O-])cc(-c2cccc([N+](=O)[O-])c2)c1	ZINC000065341450	181091941	/nfs/dbraw/zinc/09/19/41/181091941.db2.gz	AOFOFKZHJFXTTJ-UHFFFAOYSA-N	-1	1	240.218	2.839	10	30		BFEEMM
CCCCC[C@H]1CC(=O)C(C(C)=O)=C([O-])C1	ZINC000584624659	358293120	/nfs/dbraw/zinc/29/31/20/358293120.db2.gz	CKHOSWGEZDRBBE-SNVBAGLBSA-N	-1	1	224.300	2.947	10	30		BFEEMM
CCCCC[C@@H]1CC(=O)C(C(C)=O)=C([O-])C1	ZINC000584624659	358293121	/nfs/dbraw/zinc/29/31/21/358293121.db2.gz	CKHOSWGEZDRBBE-SNVBAGLBSA-N	-1	1	224.300	2.947	10	30		BFEEMM
COc1ccc(OC)c2c1CCCC/C2=N/[O-]	ZINC000584638269	358324009	/nfs/dbraw/zinc/32/40/09/358324009.db2.gz	JVZMGGQMUKGMJE-UVTDQMKNSA-N	-1	1	235.283	2.609	10	30		BFEEMM
COc1ccc(Br)c(/C(C)=N/[O-])c1	ZINC000306456154	360047062	/nfs/dbraw/zinc/04/70/62/360047062.db2.gz	RMIILLUYIPAAAM-IZZDOVSWSA-N	-1	1	244.088	2.656	10	30		BFEEMM
N#Cc1c(O)cc([O-])cc1-c1ccccc1	ZINC000039119116	372872393	/nfs/dbraw/zinc/87/23/93/372872393.db2.gz	XCRZHXRLRCVYKL-UHFFFAOYSA-N	-1	1	211.220	2.636	10	30		BFEEMM
N#CCc1c([O-])cc(F)cc1C(F)F	ZINC000575669195	384453744	/nfs/dbraw/zinc/45/37/44/384453744.db2.gz	YFXQUZDDTSICRA-UHFFFAOYSA-N	-1	1	201.147	2.535	10	30		BFEEMM
N#CCc1cc([O-])c(Br)cc1Cl	ZINC000575676898	384484678	/nfs/dbraw/zinc/48/46/78/384484678.db2.gz	WTNXQLDVCWMMCY-UHFFFAOYSA-N	-1	1	246.491	2.874	10	30		BFEEMM
O=C1c2ccc3ccccc3c2S/C1=N\[O-]	ZINC000102135134	384699553	/nfs/dbraw/zinc/69/95/53/384699553.db2.gz	JKZZQGBZBOQLOY-SEYXRHQNSA-N	-1	1	229.260	2.916	10	30		BFEEMM
Cc1cc([O-])c(C#N)c(C)c1Br	ZINC000260024263	385651651	/nfs/dbraw/zinc/65/16/51/385651651.db2.gz	JFZHFFHUFWFYKU-UHFFFAOYSA-N	-1	1	226.073	2.643	10	30		BFEEMM
N#CCc1cc(F)cc([O-])c1C(F)F	ZINC000575668626	387327269	/nfs/dbraw/zinc/32/72/69/387327269.db2.gz	SQBZMIIHOPSYMK-UHFFFAOYSA-N	-1	1	201.147	2.535	10	30		BFEEMM
C/C(=N\[O-])c1ccc(Br)cc1F	ZINC000238853834	518469311	/nfs/dbraw/zinc/46/93/11/518469311.db2.gz	LGKZFSKXZSIBJG-UHFFFAOYSA-N	-1	1	232.052	2.786	10	30		BFEEMM
CCN(/C=C/C(=O)c1cc(C)ccc1[O-])CC	ZINC000002574025	342724960	/nfs/dbraw/zinc/72/49/60/342724960.db2.gz	RASDWGZFOKPSQA-CMDGGOBGSA-N	-1	1	233.311	2.739	10	30		BFEEMM
CC(C#N)=C([O-])c1c(F)cccc1Cl	ZINC000036935127	347963869	/nfs/dbraw/zinc/96/38/69/347963869.db2.gz	ZHIZCPIAMVGDEP-ZCFIWIBFSA-N	-1	1	211.623	2.821	10	30		BFEEMM
CC(C#N)=C([O-])c1ccc(Br)s1	ZINC000036935175	347964477	/nfs/dbraw/zinc/96/44/77/347964477.db2.gz	VUTCZZDTUNHKAB-RXMQYKEDSA-N	-1	1	244.113	2.853	10	30		BFEEMM
C/C(=N\[O-])c1ccccc1NC(=O)c1ccoc1	ZINC000019478493	188107798	/nfs/dbraw/zinc/10/77/98/188107798.db2.gz	CEIDUHUGCWTZIZ-OQLLNIDSSA-N	-1	1	244.250	2.730	10	30		BFEEMM
N#Cc1cc(-c2ccccc2)c([O-])cc1O	ZINC000039119130	181081113	/nfs/dbraw/zinc/08/11/13/181081113.db2.gz	WPTWITLAXPCMCO-UHFFFAOYSA-N	-1	1	211.220	2.636	10	30		BFEEMM
N#Cc1ccc(-c2ccc([O-])c(F)c2)cc1O	ZINC000065341368	181094755	/nfs/dbraw/zinc/09/47/55/181094755.db2.gz	OMOYAJGEBRLVCO-UHFFFAOYSA-N	-1	1	229.210	2.776	10	30		BFEEMM
N#Cc1ccc(-c2ccccc2C=O)cc1[O-]	ZINC000065341308	181095187	/nfs/dbraw/zinc/09/51/87/181095187.db2.gz	ZWZUNSPWPHZIOH-UHFFFAOYSA-N	-1	1	223.231	2.743	10	30		BFEEMM
N#Cc1cccc(-c2cccc(C=O)c2[O-])c1F	ZINC000065341878	181133761	/nfs/dbraw/zinc/13/37/61/181133761.db2.gz	ZVACPVXNRMAPGC-UHFFFAOYSA-N	-1	1	241.221	2.882	10	30		BFEEMM
N#Cc1ccccc1-c1ccc(/C=N/[O-])o1	ZINC000022124276	181144167	/nfs/dbraw/zinc/14/41/67/181144167.db2.gz	OPQWQKNAVKECPH-RIYZIHGNSA-N	-1	1	212.208	2.626	10	30		BFEEMM
CC(C)(C)OC(=O)Nc1ccc(C#N)cc1[O-]	ZINC000137728457	357254535	/nfs/dbraw/zinc/25/45/35/357254535.db2.gz	BUIJMVBXWLTDMO-UHFFFAOYSA-N	-1	1	234.255	2.611	10	30		BFEEMM
C=CC[P@](=O)([O-])C(F)(F)C(F)(F)F	ZINC000584648844	358303252	/nfs/dbraw/zinc/30/32/52/358303252.db2.gz	VKLZNCNXOYYTIP-UHFFFAOYSA-N	-1	1	224.065	2.598	10	30		BFEEMM
Cc1cc(C)c(O)c2c1CC(C)(C)/C2=N\[O-]	ZINC000584618263	358284445	/nfs/dbraw/zinc/28/44/45/358284445.db2.gz	RCOWRYFNRLBVSU-OWBHPGMISA-N	-1	1	219.284	2.770	10	30		BFEEMM
CCCCCOc1ccc([O-])c(C#N)c1C#N	ZINC000202628474	359647698	/nfs/dbraw/zinc/64/76/98/359647698.db2.gz	SJSJFFGLDGAYIC-UHFFFAOYSA-N	-1	1	230.267	2.705	10	30		BFEEMM
N#CCc1cc(F)c([O-])cc1C(F)(F)F	ZINC000575704519	384791728	/nfs/dbraw/zinc/79/17/28/384791728.db2.gz	XDLIRLAEXHLSQK-UHFFFAOYSA-N	-1	1	219.137	2.616	10	30		BFEEMM
[O-]/N=C\c1cc(Cc2ccccc2)ccc1O	ZINC000030714764	385024164	/nfs/dbraw/zinc/02/41/64/385024164.db2.gz	RUPKWDDMYKZGFV-GDNBJRDFSA-N	-1	1	227.263	2.791	10	30		BFEEMM
N#CCc1cc([O-])c(C(F)F)c(F)c1	ZINC000575667855	387323162	/nfs/dbraw/zinc/32/31/62/387323162.db2.gz	NCVQRUKJERYPHD-UHFFFAOYSA-N	-1	1	201.147	2.535	10	30		BFEEMM
CCN(CC)[C@@H](C#N)c1ccc([O-])c(Cl)c1	ZINC000043489847	169795339	/nfs/dbraw/zinc/79/53/39/169795339.db2.gz	XSXOAALRAQZVEH-NSHDSACASA-N	-1	1	238.718	2.952	10	30		BFEEMM
N#Cc1c(=O)[n-]c2c(c1C(F)(F)F)CCCC2	ZINC000043463590	343077912	/nfs/dbraw/zinc/07/79/12/343077912.db2.gz	PFQSBAJXRTXUPE-UHFFFAOYSA-N	-1	1	242.200	2.556	10	30		BFEEMM
CC(C#N)=C([O-])c1c(F)cccc1Cl	ZINC000036935125	347964032	/nfs/dbraw/zinc/96/40/32/347964032.db2.gz	ZHIZCPIAMVGDEP-LURJTMIESA-N	-1	1	211.623	2.821	10	30		BFEEMM
N#Cc1ccc(-c2ccc(C=O)c([O-])c2)cc1	ZINC000065341768	181094991	/nfs/dbraw/zinc/09/49/91/181094991.db2.gz	NMNOZXKQNQDMIE-UHFFFAOYSA-N	-1	1	223.231	2.743	10	30		BFEEMM
CC[C@H](C#N)Oc1ccccc1/C(C)=N/[O-]	ZINC000043542911	171219412	/nfs/dbraw/zinc/21/94/12/171219412.db2.gz	VHFRAPJNSSJCLZ-GMROUXNLSA-N	-1	1	218.256	2.566	10	30		BFEEMM
N#Cc1cc(-c2cc(F)ccc2O)ccc1[O-]	ZINC000065341376	181080399	/nfs/dbraw/zinc/08/03/99/181080399.db2.gz	LZGASDXVPFZXOS-UHFFFAOYSA-N	-1	1	229.210	2.776	10	30		BFEEMM
N#Cc1ccc(-c2cc(O)cc(F)c2)cc1[O-]	ZINC000065341371	181094920	/nfs/dbraw/zinc/09/49/20/181094920.db2.gz	ZJWKBOJPGPXHGN-UHFFFAOYSA-N	-1	1	229.210	2.776	10	30		BFEEMM
N#Cc1ccc(-c2cccc(O)c2)cc1[O-]	ZINC000065341291	181095105	/nfs/dbraw/zinc/09/51/05/181095105.db2.gz	OFWGYNSGKLVKNP-UHFFFAOYSA-N	-1	1	211.220	2.636	10	30		BFEEMM
N#Cc1cc(=O)c2cccc(Br)c2[n-]1	ZINC000062623508	181091902	/nfs/dbraw/zinc/09/19/02/181091902.db2.gz	URUHNXRUQROTAO-UHFFFAOYSA-N	-1	1	249.067	2.575	10	30		BFEEMM
CCc1cc([O-])c(C#N)c(C(F)(F)F)c1	ZINC000575672869	387339440	/nfs/dbraw/zinc/33/94/40/387339440.db2.gz	RGZGYEYOTASBQX-UHFFFAOYSA-N	-1	1	215.174	2.845	10	30		BFEEMM
[O-]/N=C\c1csc(COc2ccccc2)n1	ZINC000102176614	527589756	/nfs/dbraw/zinc/58/97/56/527589756.db2.gz	FSVATIOOWRUXNH-SDQBBNPISA-N	-1	1	234.280	2.530	10	30		BFEEMM
[O-]N=Cc1csc(COc2ccccc2)n1	ZINC000252486145	527643723	/nfs/dbraw/zinc/64/37/23/527643723.db2.gz	FSVATIOOWRUXNH-UHFFFAOYSA-N	-1	1	234.280	2.530	10	30		BFEEMM
N#Cc1cc(-c2ccc(C=O)cc2)ccc1[O-]	ZINC000065341313	181080417	/nfs/dbraw/zinc/08/04/17/181080417.db2.gz	LTQQLQAABOEUAO-UHFFFAOYSA-N	-1	1	223.231	2.743	10	30		BFEEMM
N#Cc1cc([O-])cc(-c2ccc(C=O)s2)c1	ZINC000065341384	181091910	/nfs/dbraw/zinc/09/19/10/181091910.db2.gz	RAGRECQIMVMSLG-UHFFFAOYSA-N	-1	1	229.260	2.805	10	30		BFEEMM
CC(C#N)=C([O-])c1ccc(Br)s1	ZINC000036935173	347964995	/nfs/dbraw/zinc/96/49/95/347964995.db2.gz	VUTCZZDTUNHKAB-YFKPBYRVSA-N	-1	1	244.113	2.853	10	30		BFEEMM
N#Cc1cc(-c2ccccc2C=O)ccc1[O-]	ZINC000065341307	181081536	/nfs/dbraw/zinc/08/15/36/181081536.db2.gz	KCSGXUKPCCMNJX-UHFFFAOYSA-N	-1	1	223.231	2.743	10	30		BFEEMM
N#Cc1cc(-c2ccccc2O)ccc1[O-]	ZINC000065341287	181081549	/nfs/dbraw/zinc/08/15/49/181081549.db2.gz	JVGQYSNTQLRMTR-UHFFFAOYSA-N	-1	1	211.220	2.636	10	30		BFEEMM
CCCCCCCCC[P@](=O)([O-])O	ZINC000097976220	384583337	/nfs/dbraw/zinc/58/33/37/384583337.db2.gz	OLGGYSFJQGDOFX-UHFFFAOYSA-N	-1	1	208.238	2.915	10	30		BFEEMM
N#CCc1ccc([O-])c(Br)c1Cl	ZINC000575676166	387357314	/nfs/dbraw/zinc/35/73/14/387357314.db2.gz	QMHIJLMLLBQRGG-UHFFFAOYSA-N	-1	1	246.491	2.874	10	30		BFEEMM
CCc1cc(C#N)c(C(F)(F)F)cc1[O-]	ZINC000575673001	387339701	/nfs/dbraw/zinc/33/97/01/387339701.db2.gz	XZQKEPHSIYLRHS-UHFFFAOYSA-N	-1	1	215.174	2.845	10	30		BFEEMM
N#Cc1ccc([O-])cc1OCc1ccccc1	ZINC000584599697	387501246	/nfs/dbraw/zinc/50/12/46/387501246.db2.gz	PXEACRKMBRIXEU-UHFFFAOYSA-N	-1	1	225.247	2.843	10	30		BFEEMM
C=CCc1cc(C)c2c(c1O)/C(=N/[O-])CC2	ZINC000309059184	398065370	/nfs/dbraw/zinc/06/53/70/398065370.db2.gz	VYDACDXSNHGMFG-SDNWHVSQSA-N	-1	1	217.268	2.554	10	30		BFEEMM
[O-]N=Cc1ccc(-c2ccccc2F)o1	ZINC000252363037	644848340	/nfs/dbraw/zinc/84/83/40/644848340.db2.gz	HBGBUSNRAWATAS-UHFFFAOYSA-N	-1	1	205.188	2.894	10	30		BFEEMM