smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(NC(=O)COC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1	ZINC000017222331	539640756	/nfs/dbraw/zinc/64/07/56/539640756.db2.gz	UYJNEXMXRQMXOU-UHFFFAOYSA-N	-1	3	367.405	2.286	20	30		FEEDHM
N#CC[N-]S(=O)(=O)c1cc(Br)ccc1Br	ZINC000037489298	539996686	/nfs/dbraw/zinc/99/66/86/539996686.db2.gz	DXHNNJFOLQQLFQ-UHFFFAOYSA-N	-1	3	354.023	2.013	20	30		FEEDHM
C=CCN(C)C(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1	ZINC000157447164	545741552	/nfs/dbraw/zinc/74/15/52/545741552.db2.gz	NFJVYRRAGHFYSD-UHFFFAOYSA-N	-1	3	351.350	2.177	20	30		FEEDHM
COc1ccc([N+](=O)[O-])cc1OC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C	ZINC000060957481	541124382	/nfs/dbraw/zinc/12/43/82/541124382.db2.gz	IQORHVHFDMBTNP-UHFFFAOYSA-N	-1	3	371.349	2.318	20	30		FEEDHM
C[C@@]1(c2ccc(CNc3ccc(Cl)c(C#N)n3)cc2)NC(=O)[N-]C1=O	ZINC000067371175	541451449	/nfs/dbraw/zinc/45/14/49/541451449.db2.gz	DMAXTIAUDCQZMB-KRWDZBQOSA-N	-1	3	355.785	2.273	20	30		FEEDHM
C[N-]S(=O)(=O)c1ccc(CNc2ncc(Cl)c(C)c2C#N)s1	ZINC000543138954	541538538	/nfs/dbraw/zinc/53/85/38/541538538.db2.gz	RBYXQDDEMVDOPE-UHFFFAOYSA-N	-1	3	356.860	2.497	20	30		FEEDHM
N#Cc1c([N-]C(=O)c2cn(Cc3ccccn3)nn2)sc2c1CCC2	ZINC000073851329	542007094	/nfs/dbraw/zinc/00/70/94/542007094.db2.gz	VUHJJYWVMLYULX-UHFFFAOYSA-N	-1	3	350.407	2.396	20	30		FEEDHM
COC(=O)c1cccc(CS(=O)(=O)[N-][C@H](C#N)C2CCCCC2)c1	ZINC000091052830	542792343	/nfs/dbraw/zinc/79/23/43/542792343.db2.gz	VSZWUBKYIREVRO-MRXNPFEDSA-N	-1	3	350.440	2.365	20	30		FEEDHM
Cc1nn(C)c(C)c1C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N	ZINC000123504383	543765595	/nfs/dbraw/zinc/76/55/95/543765595.db2.gz	PUTUWAKRHVFGRJ-UHFFFAOYSA-N	-1	3	372.372	2.406	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H]2CSC)ccc1F	ZINC000123600608	543772011	/nfs/dbraw/zinc/77/20/11/543772011.db2.gz	OBHALINASCAZMX-ZDUSSCGKSA-N	-1	3	372.487	2.258	20	30		FEEDHM
C[C@@H](C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)N1CCC[C@@H](C)C1	ZINC000124250990	543809950	/nfs/dbraw/zinc/80/99/50/543809950.db2.gz	GDYLMQWRBGPVNB-NEPJUHHUSA-N	-1	3	357.426	2.235	20	30		FEEDHM
CC(C)[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)C(=O)OC(C)(C)C	ZINC000126835749	543959370	/nfs/dbraw/zinc/95/93/70/543959370.db2.gz	ANJLEDDWNRCBKD-CQSZACIVSA-N	-1	3	356.419	2.342	20	30		FEEDHM
CN(CCC(=O)Nc1ccc(C#N)cc1)Cc1nc2ccsc2c(=O)[n-]1	ZINC000131784213	544206769	/nfs/dbraw/zinc/20/67/69/544206769.db2.gz	QSPBOWMKNFFYHJ-UHFFFAOYSA-N	-1	3	367.434	2.317	20	30		FEEDHM
C=CC[C@H](C)NS(=O)(=O)c1ccc([N-]S(=O)(=O)C(C)C)c(F)c1	ZINC000133268838	544262641	/nfs/dbraw/zinc/26/26/41/544262641.db2.gz	JTTFGWMCRLDPEX-NSHDSACASA-N	-1	3	364.464	2.219	20	30		FEEDHM
C=CCN1C(=O)c2ccc(C(=O)NCc3ccc([O-])c(F)c3)cc2C1=O	ZINC000133012429	544251984	/nfs/dbraw/zinc/25/19/84/544251984.db2.gz	CYDBLCTULDJWIQ-UHFFFAOYSA-N	-1	3	354.337	2.243	20	30		FEEDHM
C=CCCC(=O)CSc1nc(C2CC2)nc2c1c(=O)[n-]c(=O)n2C1CC1	ZINC000134736155	544320350	/nfs/dbraw/zinc/32/03/50/544320350.db2.gz	IZACYARKUURABS-UHFFFAOYSA-N	-1	3	372.450	2.320	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]Cc2cccc(N3CCCC3=O)c2)c(F)c1	ZINC000151067556	544501882	/nfs/dbraw/zinc/50/18/82/544501882.db2.gz	YQPGNXWFJQBYRA-UHFFFAOYSA-N	-1	3	373.409	2.303	20	30		FEEDHM
CN(C)[C@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1F)c1cccc(F)c1	ZINC000151017287	544496697	/nfs/dbraw/zinc/49/66/97/544496697.db2.gz	ODISMBIUVLGQQV-MRXNPFEDSA-N	-1	3	365.405	2.418	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]Cc2ccnc(N3CCCC3)c2)c(F)c1	ZINC000151044350	544499095	/nfs/dbraw/zinc/49/90/95/544499095.db2.gz	ARVRUUFTQDGZFV-UHFFFAOYSA-N	-1	3	360.414	2.171	20	30		FEEDHM
N#CCSCC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1	ZINC000153956734	544845285	/nfs/dbraw/zinc/84/52/85/544845285.db2.gz	IIEGARLLZIDFLN-AWEZNQCLSA-N	-1	3	353.875	2.383	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)OCc2ccncc2)ccc1F	ZINC000803273809	674233048	/nfs/dbraw/zinc/23/30/48/674233048.db2.gz	WYVBPNJSFKSSBJ-UHFFFAOYSA-N	-1	3	350.371	2.042	20	30		FEEDHM
COC(=O)c1cc(C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)oc1C	ZINC000183476281	327820182	/nfs/dbraw/zinc/82/01/82/327820182.db2.gz	RFNNFGACGDRFLX-UHFFFAOYSA-N	-1	3	368.798	2.378	20	30		FEEDHM
CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NCc1ccc([O-])c(F)c1	ZINC000193004484	328351580	/nfs/dbraw/zinc/35/15/80/328351580.db2.gz	DBCLELRXAVOFRJ-UHFFFAOYSA-N	-1	3	358.373	2.214	20	30		FEEDHM
COc1cc(C#N)ccc1OC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C	ZINC000078957546	325069521	/nfs/dbraw/zinc/06/95/21/325069521.db2.gz	NJQRPNQXHPUUCR-UHFFFAOYSA-N	-1	3	351.362	2.282	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(Cc1ccncc1)C1CC1	ZINC000109021492	325656608	/nfs/dbraw/zinc/65/66/08/325656608.db2.gz	VQSBGNDZNROXGN-UHFFFAOYSA-N	-1	3	350.422	2.382	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)nc1)c1noc(-c2ccccc2)n1	ZINC000128224551	326520029	/nfs/dbraw/zinc/52/00/29/326520029.db2.gz	MMZKBUGWMGYRAW-LLVKDONJSA-N	-1	3	355.379	2.043	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)[C@H](O)Cc1ccccc1	ZINC000129213964	326536657	/nfs/dbraw/zinc/53/66/57/326536657.db2.gz	OKRFTQXBHIRLLJ-MLGOLLRUSA-N	-1	3	364.854	2.482	20	30		FEEDHM
CC(C)([N-]S(=O)(=O)c1ccc(C#N)cc1F)C(=O)NCC1CCCC1	ZINC000135663582	326646212	/nfs/dbraw/zinc/64/62/12/326646212.db2.gz	JFAGZYIFMIXUAY-UHFFFAOYSA-N	-1	3	367.446	2.061	20	30		FEEDHM
N#Cc1cc(N2CCN(C(=O)c3ccccc3[O-])CC2)ccc1[N+](=O)[O-]	ZINC000165668771	327078511	/nfs/dbraw/zinc/07/85/11/327078511.db2.gz	CGSHRDNTIZVBRN-UHFFFAOYSA-N	-1	3	352.350	2.134	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](CO)Cc1ccc(F)cc1	ZINC000271115012	329663651	/nfs/dbraw/zinc/66/36/51/329663651.db2.gz	MYQJFHYOYHDAJK-INIZCTEOSA-N	-1	3	371.412	2.067	20	30		FEEDHM
Cc1cc(F)ccc1N1CCC[C@@H]([N-]S(=O)(=O)c2cccnc2C#N)C1	ZINC000331782631	330200575	/nfs/dbraw/zinc/20/05/75/330200575.db2.gz	AZGXCECEUMOQCT-OAHLLOKOSA-N	-1	3	374.441	2.348	20	30		FEEDHM
Cn1cc([C@H]([N-]S(=O)(=O)c2ccc(C#N)s2)c2ccccc2)cn1	ZINC000367189895	330227875	/nfs/dbraw/zinc/22/78/75/330227875.db2.gz	YOQYFFDUWKRFKD-MRXNPFEDSA-N	-1	3	358.448	2.421	20	30		FEEDHM
C#CCCCS(=O)(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1	ZINC000805011544	674312606	/nfs/dbraw/zinc/31/26/06/674312606.db2.gz	WYTNLPDYLLIKAG-INIZCTEOSA-N	-1	3	370.902	2.343	20	30		FEEDHM
N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]Cc1ccc2c(c1)OCO2	ZINC000155959308	545587668	/nfs/dbraw/zinc/58/76/68/545587668.db2.gz	CNWNZTWUFFWMMN-UHFFFAOYSA-N	-1	3	350.783	2.419	20	30		FEEDHM
CNC(=O)c1cccc(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)c1	ZINC000156387273	545624422	/nfs/dbraw/zinc/62/44/22/545624422.db2.gz	QLUCTBQCMREIOK-UHFFFAOYSA-N	-1	3	363.826	2.050	20	30		FEEDHM
CC(C)(C)[C@@H]([N-]S(C)(=O)=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1	ZINC000156585375	545637043	/nfs/dbraw/zinc/63/70/43/545637043.db2.gz	OYFKEPZCGSKQFY-AWEZNQCLSA-N	-1	3	351.472	2.390	20	30		FEEDHM
CC(C)OC1CCC([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC1	ZINC000159354075	545945555	/nfs/dbraw/zinc/94/55/55/545945555.db2.gz	FOMMJTCZBYAJKK-UHFFFAOYSA-N	-1	3	367.427	2.481	20	30		FEEDHM
CC(C)C[C@H]1OCCC[C@H]1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000478770822	561174519	/nfs/dbraw/zinc/17/45/19/561174519.db2.gz	WFEWAZNTABSNBJ-UKRRQHHQSA-N	-1	3	367.427	2.338	20	30		FEEDHM
C[C@H](C#N)CNC(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1	ZINC000171839384	546226490	/nfs/dbraw/zinc/22/64/90/546226490.db2.gz	IXLFQVSAKJGUBF-SNVBAGLBSA-N	-1	3	369.493	2.178	20	30		FEEDHM
N#CC[N-]S(=O)(=O)c1csc(-c2cccc(Br)c2)n1	ZINC000479982516	561200594	/nfs/dbraw/zinc/20/05/94/561200594.db2.gz	OKSQKAJJXNNUJH-UHFFFAOYSA-N	-1	3	358.242	2.374	20	30		FEEDHM
COC1(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CCC(C)CC1	ZINC000480955732	561221097	/nfs/dbraw/zinc/22/10/97/561221097.db2.gz	NGWRCLRHWKFMPY-UHFFFAOYSA-N	-1	3	367.427	2.340	20	30		FEEDHM
N#Cc1cc(F)ccc1S(=O)(=O)[N-]C1CCN(CC(F)(F)F)CC1	ZINC000178526012	546807703	/nfs/dbraw/zinc/80/77/03/546807703.db2.gz	YKOGQVQUTHQGIX-UHFFFAOYSA-N	-1	3	365.352	2.002	20	30		FEEDHM
CC[C@H](C#N)NC(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1	ZINC000179245975	546919920	/nfs/dbraw/zinc/91/99/20/546919920.db2.gz	NGBWERBRLVRENX-SNVBAGLBSA-N	-1	3	369.493	2.320	20	30		FEEDHM
COc1cc(Br)c(F)cc1S(=O)(=O)[N-]C[C@@H](C)C#N	ZINC000180051201	547044699	/nfs/dbraw/zinc/04/46/99/547044699.db2.gz	OFPPSARYAKZTGT-ZETCQYMHSA-N	-1	3	351.197	2.035	20	30		FEEDHM
CN(C)c1cccc(C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)n1	ZINC000185511237	547995572	/nfs/dbraw/zinc/99/55/72/547995572.db2.gz	RGQSTATWLXYBFK-UHFFFAOYSA-N	-1	3	350.831	2.151	20	30		FEEDHM
C[C@H](CN1CCCCCC1)[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000186765875	548188625	/nfs/dbraw/zinc/18/86/25/548188625.db2.gz	SKCZUUOCDFCLHW-GFCCVEGCSA-N	-1	3	357.426	2.379	20	30		FEEDHM
C[C@@H](CC#N)[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1	ZINC000186808890	548198196	/nfs/dbraw/zinc/19/81/96/548198196.db2.gz	CRVSEHSIQAPGET-NWDGAFQWSA-N	-1	3	358.847	2.336	20	30		FEEDHM
CC(C#N)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1	ZINC000192127699	548358671	/nfs/dbraw/zinc/35/86/71/548358671.db2.gz	MMHLLONLBJWHHR-JTQLQIEISA-N	-1	3	356.450	2.235	20	30		FEEDHM
Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1cccc(-c2nnn[n-]2)c1	ZINC000486427564	561346913	/nfs/dbraw/zinc/34/69/13/561346913.db2.gz	CPZZRRCBDXQPKV-UHFFFAOYSA-N	-1	3	364.413	2.165	20	30		FEEDHM
Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1cccc(-c2nn[n-]n2)c1	ZINC000486427564	561346914	/nfs/dbraw/zinc/34/69/14/561346914.db2.gz	CPZZRRCBDXQPKV-UHFFFAOYSA-N	-1	3	364.413	2.165	20	30		FEEDHM
Cc1ccc(C#N)cc1NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1	ZINC000194881693	548545033	/nfs/dbraw/zinc/54/50/33/548545033.db2.gz	AYDSFHYODKOYRA-UHFFFAOYSA-N	-1	3	369.855	2.499	20	30		FEEDHM
CCCCOc1ncccc1C[N-]S(=O)(=O)c1cnc(C)c(C#N)c1	ZINC000489122017	561403940	/nfs/dbraw/zinc/40/39/40/561403940.db2.gz	IGYDCBLZRLDUPF-UHFFFAOYSA-N	-1	3	360.439	2.314	20	30		FEEDHM
COCC(C)(C)C[N-]S(=O)(=O)c1cccc(Br)c1C#N	ZINC000490317858	561430783	/nfs/dbraw/zinc/43/07/83/561430783.db2.gz	WXWMUEZGBPIIQP-UHFFFAOYSA-N	-1	3	361.261	2.272	20	30		FEEDHM
CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(CC)CCC#N)cc1	ZINC000265665572	550013414	/nfs/dbraw/zinc/01/34/14/550013414.db2.gz	TXOYQCQLMOEYOA-UHFFFAOYSA-N	-1	3	373.500	2.153	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc([C@H]2CN(C(C)C)CCO2)no1	ZINC000272643359	550462429	/nfs/dbraw/zinc/46/24/29/550462429.db2.gz	LWJIHWIFHGHKHJ-MRXNPFEDSA-N	-1	3	371.441	2.226	20	30		FEEDHM
COc1cc(C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)ccc1[O-]	ZINC000276127307	550576896	/nfs/dbraw/zinc/57/68/96/550576896.db2.gz	ZVZQAKPCGUKQCU-KRWDZBQOSA-N	-1	3	351.406	2.423	20	30		FEEDHM
CC[C@H]([N-]S(=O)(=O)c1cccnc1C#N)c1ccc2c(c1)OCCO2	ZINC000276968081	550616604	/nfs/dbraw/zinc/61/66/04/550616604.db2.gz	FIADCSUMLYCNHH-ZDUSSCGKSA-N	-1	3	359.407	2.154	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-]C[C@H]1CCCO[C@H]1c1ccccc1	ZINC000276998116	550619891	/nfs/dbraw/zinc/61/98/91/550619891.db2.gz	JNJOPQSBJDFFSN-QAPCUYQASA-N	-1	3	357.435	2.399	20	30		FEEDHM
Cc1ccccc1C1(C[N-]S(=O)(=O)c2cccnc2C#N)CCOCC1	ZINC000277002660	550620635	/nfs/dbraw/zinc/62/06/35/550620635.db2.gz	KCCSVMPVPUNIDB-UHFFFAOYSA-N	-1	3	371.462	2.288	20	30		FEEDHM
CCOC(=O)c1nc(C2CCN(Cc3cc(C#N)ccc3F)CC2)n[n-]1	ZINC000277927692	550729925	/nfs/dbraw/zinc/72/99/25/550729925.db2.gz	YLLSFEJFBGLVDG-UHFFFAOYSA-N	-1	3	357.389	2.372	20	30		FEEDHM
CCOC(=O)c1nnc(C2CCN(Cc3cc(C#N)ccc3F)CC2)[n-]1	ZINC000277927692	550729926	/nfs/dbraw/zinc/72/99/26/550729926.db2.gz	YLLSFEJFBGLVDG-UHFFFAOYSA-N	-1	3	357.389	2.372	20	30		FEEDHM
CCOC(=O)c1nnc(C2CCN(C(=O)Nc3cccc(C#N)c3)CC2)[n-]1	ZINC000278059140	550744239	/nfs/dbraw/zinc/74/42/39/550744239.db2.gz	YUGSFVAYXHMUIJ-UHFFFAOYSA-N	-1	3	368.397	2.265	20	30		FEEDHM
CCOC(=O)c1nc(C2CCN(C(=O)Nc3cccc(C#N)c3)CC2)n[n-]1	ZINC000278059140	550744241	/nfs/dbraw/zinc/74/42/41/550744241.db2.gz	YUGSFVAYXHMUIJ-UHFFFAOYSA-N	-1	3	368.397	2.265	20	30		FEEDHM
Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2ncc(Cc3ccc(C#N)cc3)s2)n1	ZINC000495295469	561486192	/nfs/dbraw/zinc/48/61/92/561486192.db2.gz	XDUKFLBUWYPESU-UHFFFAOYSA-N	-1	3	368.378	2.500	20	30		FEEDHM
C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)OC	ZINC000280734120	551026271	/nfs/dbraw/zinc/02/62/71/551026271.db2.gz	KFRRCDZBDODXGM-IAQYHMDHSA-N	-1	3	373.858	2.386	20	30		FEEDHM
C[C@@H](C#N)CN(C)S(=O)(=O)[N-][C@@H](c1nccs1)c1ccccc1	ZINC000282761273	551267664	/nfs/dbraw/zinc/26/76/64/551267664.db2.gz	VHWFKFAREHCKEY-GXTWGEPZSA-N	-1	3	350.469	2.158	20	30		FEEDHM
COC(CCCC(C)(C)C[N-]S(=O)(=O)c1cccnc1C#N)OC	ZINC000283227446	551332591	/nfs/dbraw/zinc/33/25/91/551332591.db2.gz	OXAWMLIJUGSJTF-UHFFFAOYSA-N	-1	3	355.460	2.047	20	30		FEEDHM
CC[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)[C@H](O)C(F)(F)F	ZINC000497932743	561511646	/nfs/dbraw/zinc/51/16/46/561511646.db2.gz	BQDORHZANOXDLL-ONGXEEELSA-N	-1	3	356.753	2.192	20	30		FEEDHM
CC[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)[C@H](O)C(F)(F)F	ZINC000497932741	561511695	/nfs/dbraw/zinc/51/16/95/561511695.db2.gz	BQDORHZANOXDLL-KOLCDFICSA-N	-1	3	356.753	2.192	20	30		FEEDHM
CC[C@H](CC#N)[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)N(C)C)c1OC	ZINC000284267416	551511118	/nfs/dbraw/zinc/51/11/18/551511118.db2.gz	LFXYCJLSYKVFGZ-LLVKDONJSA-N	-1	3	373.862	2.021	20	30		FEEDHM
COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@](C)(C#N)CSC)c1	ZINC000284934871	551671218	/nfs/dbraw/zinc/67/12/18/551671218.db2.gz	ADXZJPHWBBKXMY-CYBMUJFWSA-N	-1	3	362.860	2.050	20	30		FEEDHM
Cc1ccccc1CN1CCC([N-]S(=O)(=O)c2ccc(C#N)o2)CC1	ZINC000286592454	551903421	/nfs/dbraw/zinc/90/34/21/551903421.db2.gz	KNQBDMYANVQDAM-UHFFFAOYSA-N	-1	3	359.451	2.403	20	30		FEEDHM
COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]CC1CCC(C#N)CC1	ZINC000289971660	552407517	/nfs/dbraw/zinc/40/75/17/552407517.db2.gz	UKAMKGQDVWLOKS-UHFFFAOYSA-N	-1	3	354.428	2.291	20	30		FEEDHM
N#Cc1cc(F)ccc1S(=O)(=O)[N-]C[C@]1(CO)C[C@H]1c1ccccc1	ZINC000290305027	552457325	/nfs/dbraw/zinc/45/73/25/552457325.db2.gz	XTKHHALNNDOBHK-WMZOPIPTSA-N	-1	3	360.410	2.142	20	30		FEEDHM
Cc1cnn([C@H]2CCN(C(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)C2)c1	ZINC000290323414	552460070	/nfs/dbraw/zinc/46/00/70/552460070.db2.gz	AYQDOJCBQVHXJN-HNNXBMFYSA-N	-1	3	353.426	2.187	20	30		FEEDHM
C=CCC(C)(C)CNS(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1	ZINC000292726249	552753101	/nfs/dbraw/zinc/75/31/01/552753101.db2.gz	NDUWCTNSVVPPHP-UHFFFAOYSA-N	-1	3	364.464	2.078	20	30		FEEDHM
N#Cc1ccc(CN2CCC([C@@H]3OCC[C@H]3[N-]C(=O)C(F)(F)F)CC2)o1	ZINC000295038458	552953104	/nfs/dbraw/zinc/95/31/04/552953104.db2.gz	ONLKDGUURSEDIP-CABCVRRESA-N	-1	3	371.359	2.199	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCN(C2CC2)C[C@@H](C)C1	ZINC000295413454	553002315	/nfs/dbraw/zinc/00/23/15/553002315.db2.gz	SPCFUGONQGQTRG-CYBMUJFWSA-N	-1	3	356.470	2.151	20	30		FEEDHM
C[C@H](CCO)CC[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000296367070	553148543	/nfs/dbraw/zinc/14/85/43/553148543.db2.gz	XEMSITBAQRVIRT-JTQLQIEISA-N	-1	3	350.362	2.264	20	30		FEEDHM
CN1CCN(C(=O)Cc2ccc(/N=C/c3cccc([O-])c3O)cc2)CC1	ZINC000298769143	553470680	/nfs/dbraw/zinc/47/06/80/553470680.db2.gz	HLPYLLUKGABUIP-KGENOOAVSA-N	-1	3	353.422	2.165	20	30		FEEDHM
N#Cc1cccc(-c2c[nH]c(CNC(=O)c3cc(F)cc4nn[n-]c43)n2)c1	ZINC000503679718	561646610	/nfs/dbraw/zinc/64/66/10/561646610.db2.gz	GLLGAJHUSHMTIH-UHFFFAOYSA-N	-1	3	361.340	2.289	20	30		FEEDHM
N#Cc1cccc(-c2c[nH]c(CNC(=O)c3cc(F)cc4[n-]nnc43)n2)c1	ZINC000503679718	561646611	/nfs/dbraw/zinc/64/66/11/561646611.db2.gz	GLLGAJHUSHMTIH-UHFFFAOYSA-N	-1	3	361.340	2.289	20	30		FEEDHM
N#Cc1cccc(-c2c[nH]c(CNC(=O)c3cc(F)cc4n[n-]nc43)n2)c1	ZINC000503679718	561646612	/nfs/dbraw/zinc/64/66/12/561646612.db2.gz	GLLGAJHUSHMTIH-UHFFFAOYSA-N	-1	3	361.340	2.289	20	30		FEEDHM
Cc1[n-][nH]c(=NC(=O)[C@@H]2CN(Cc3ccccc3)C[C@@]23CCOC3)c1C#N	ZINC000602191793	553536444	/nfs/dbraw/zinc/53/64/44/553536444.db2.gz	ZWAXZNMSYNTEJR-FXAWDEMLSA-N	-1	3	365.437	2.067	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-]CCc1ccc(Br)cc1	ZINC000314116891	553758855	/nfs/dbraw/zinc/75/88/55/553758855.db2.gz	ISUZIDYDUMYJKU-UHFFFAOYSA-N	-1	3	366.240	2.237	20	30		FEEDHM
CC(C)(C(=O)NCc1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1)N1CCOCC1	ZINC000328699866	553809332	/nfs/dbraw/zinc/80/93/32/553809332.db2.gz	VWFPXVFCFKRBBK-LJQANCHMSA-N	-1	3	374.441	2.353	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC1	ZINC000329110795	553882136	/nfs/dbraw/zinc/88/21/36/553882136.db2.gz	JRDRIBIQDOWDEI-PXWWUCIGSA-N	-1	3	371.484	2.269	20	30		FEEDHM
CC(=O)Nc1ncc(S(=O)(=O)[N-]C[C@@H]2CCCn3cc(C)nc32)s1	ZINC000329254802	553911739	/nfs/dbraw/zinc/91/17/39/553911739.db2.gz	DDINOHHGDPJDEG-NSHDSACASA-N	-1	3	369.472	2.112	20	30		FEEDHM
CC(=O)Nc1ncc(S(=O)(=O)[N-][C@H]2CCN(C3CCCC3)C2)s1	ZINC000329279008	553916409	/nfs/dbraw/zinc/91/64/09/553916409.db2.gz	MHWBQEQSYBOPPP-NSHDSACASA-N	-1	3	358.489	2.046	20	30		FEEDHM
CSCC[C@@](C)(C#N)[N-]S(=O)(=O)c1cnc2c(Cl)c(C)nn2c1	ZINC000508101946	561751672	/nfs/dbraw/zinc/75/16/72/561751672.db2.gz	JTTGKFQHFIZUDF-ZDUSSCGKSA-N	-1	3	373.891	2.005	20	30		FEEDHM
COc1ccc(Br)c(S(=O)(=O)[N-][C@@H]2CCC[C@H]2C#N)c1	ZINC000331114235	554215333	/nfs/dbraw/zinc/21/53/33/554215333.db2.gz	JXMAXDJUVLNOHU-JOYOIKCWSA-N	-1	3	359.245	2.428	20	30		FEEDHM
C[C@@H](CC#N)N(C)S(=O)(=O)[N-][C@H](C(=O)OC(C)(C)C)c1ccccc1	ZINC000509190047	561789286	/nfs/dbraw/zinc/78/92/86/561789286.db2.gz	LJCFANKJJAQGQM-ZFWWWQNUSA-N	-1	3	367.471	2.138	20	30		FEEDHM
Cc1ccc(C#N)c(NCC[N-]S(=O)(=O)c2ccc(F)cc2Cl)n1	ZINC000509529659	561804118	/nfs/dbraw/zinc/80/41/18/561804118.db2.gz	ZBTUAVXYXIFTPV-UHFFFAOYSA-N	-1	3	368.821	2.445	20	30		FEEDHM
CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)[C@]12CCCO2	ZINC000363975218	555225637	/nfs/dbraw/zinc/22/56/37/555225637.db2.gz	PGPDXGXMYORNSZ-BZUAXINKSA-N	-1	3	370.858	2.217	20	30		FEEDHM
COC(=O)[C@H]1CCCCCN1C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C	ZINC000364703908	555379721	/nfs/dbraw/zinc/37/97/21/555379721.db2.gz	RMBJWAOREQCRBU-MRXNPFEDSA-N	-1	3	359.426	2.153	20	30		FEEDHM
Cc1cccnc1C1(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC1	ZINC000366116401	555756571	/nfs/dbraw/zinc/75/65/71/555756571.db2.gz	UOXKQMNFGUQNDD-UHFFFAOYSA-N	-1	3	372.406	2.180	20	30		FEEDHM
CCOC(=O)c1nc(C2CCN(C(=O)c3cccc(C#N)c3C)CC2)n[n-]1	ZINC000513705149	561947123	/nfs/dbraw/zinc/94/71/23/561947123.db2.gz	NZVJVEDXQDUYKV-UHFFFAOYSA-N	-1	3	367.409	2.181	20	30		FEEDHM
CCOC(=O)c1nnc(C2CCN(C(=O)c3cccc(C#N)c3C)CC2)[n-]1	ZINC000513705149	561947125	/nfs/dbraw/zinc/94/71/25/561947125.db2.gz	NZVJVEDXQDUYKV-UHFFFAOYSA-N	-1	3	367.409	2.181	20	30		FEEDHM
N#CC1CCC(CNC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])CC1	ZINC000368526943	556335453	/nfs/dbraw/zinc/33/54/53/556335453.db2.gz	JRUFCHDGYBNCIU-VMBOVVBDSA-N	-1	3	355.438	2.443	20	30		FEEDHM
C=CCOCC(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O	ZINC000517835316	562098893	/nfs/dbraw/zinc/09/88/93/562098893.db2.gz	BCZBGTVTOYTOTB-UHFFFAOYSA-N	-1	3	352.334	2.218	20	30		FEEDHM
Cc1cc(C)c(C#N)c(N2CCC[C@H](c3n[nH]cc3[N-]S(C)(=O)=O)C2)n1	ZINC000373551736	557716901	/nfs/dbraw/zinc/71/69/01/557716901.db2.gz	LLBBJMJJVPGDAX-ZDUSSCGKSA-N	-1	3	374.470	2.049	20	30		FEEDHM
N#Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2noc(C(F)(F)F)n2)c1	ZINC000520894032	562165653	/nfs/dbraw/zinc/16/56/53/562165653.db2.gz	BPKDSHFPIYRZBK-UHFFFAOYSA-N	-1	3	366.708	2.092	20	30		FEEDHM
N#Cc1c(Cl)nsc1N1CC(S(=O)(=O)[N-]c2ccccc2)C1	ZINC000374723326	557921673	/nfs/dbraw/zinc/92/16/73/557921673.db2.gz	YNNOVDFKYXJCHE-UHFFFAOYSA-N	-1	3	354.844	2.299	20	30		FEEDHM
CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCC#N)ccc2C)cc1	ZINC000522205372	562194138	/nfs/dbraw/zinc/19/41/38/562194138.db2.gz	KVJQFXCYKYXSHX-UHFFFAOYSA-N	-1	3	373.434	2.448	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCC[C@H]1c1ncon1	ZINC000523147213	562209046	/nfs/dbraw/zinc/20/90/46/562209046.db2.gz	UPBSXAGOYFZAAA-HNNXBMFYSA-N	-1	3	355.398	2.345	20	30		FEEDHM
N#CCc1ccc(NC(=O)N2CC(S(=O)(=O)[N-]c3ccccc3)C2)cc1	ZINC000378577846	558587346	/nfs/dbraw/zinc/58/73/46/558587346.db2.gz	FOBPPQYTUVKROY-UHFFFAOYSA-N	-1	3	370.434	2.411	20	30		FEEDHM
CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@]3(CCCCO3)[C@H]2C#N)c1	ZINC000408267815	558662539	/nfs/dbraw/zinc/66/25/39/558662539.db2.gz	FTIDYLVLASCLPS-IEBWSBKVSA-N	-1	3	357.410	2.418	20	30		FEEDHM
Cc1nccc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)n1	ZINC000409596054	558706626	/nfs/dbraw/zinc/70/66/26/558706626.db2.gz	RBJZYXRGNGUXPB-UHFFFAOYSA-N	-1	3	356.329	2.154	20	30		FEEDHM
CC(=O)c1ccc(C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1[O-]	ZINC000412372524	559031732	/nfs/dbraw/zinc/03/17/32/559031732.db2.gz	ZYFOJQOJFVEUJL-OAHLLOKOSA-N	-1	3	351.362	2.155	20	30		FEEDHM
Cc1nccc([N-]S(=O)(=O)c2ccc(C#N)cc2)c1Br	ZINC000527112233	562277002	/nfs/dbraw/zinc/27/70/02/562277002.db2.gz	LNCZIIVAHVYNHG-UHFFFAOYSA-N	-1	3	352.213	2.247	20	30		FEEDHM
CC[C@@](C)(C[N-]S(=O)(=O)c1cc(Br)ccc1C#N)OC	ZINC000416498516	559317947	/nfs/dbraw/zinc/31/79/47/559317947.db2.gz	VQUGZWUJLXZSFY-ZDUSSCGKSA-N	-1	3	361.261	2.414	20	30		FEEDHM
CO[C@](C)(C[N-]S(=O)(=O)c1cc(Br)ccc1C#N)C1CC1	ZINC000416483348	559316641	/nfs/dbraw/zinc/31/66/41/559316641.db2.gz	KQNOSQOXUMPDFX-CQSZACIVSA-N	-1	3	373.272	2.414	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)c1csnn1	ZINC000416636828	559326602	/nfs/dbraw/zinc/32/66/02/559326602.db2.gz	SNILIHFMGNTWGH-SSDOTTSWSA-N	-1	3	362.358	2.468	20	30		FEEDHM
CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(NC(=O)NC[C@H]2CCCO2)cc1	ZINC000416938414	559339172	/nfs/dbraw/zinc/33/91/72/559339172.db2.gz	FPNXRRZTURBZNC-CABCVRRESA-N	-1	3	366.443	2.031	20	30		FEEDHM
COC(=O)[C@@H](CNc1nnc(C)c(C)c1C#N)Cc1ccc([O-])c(F)c1	ZINC000420640950	559494827	/nfs/dbraw/zinc/49/48/27/559494827.db2.gz	TZGNIABDLNFFSC-CYBMUJFWSA-N	-1	3	358.373	2.254	20	30		FEEDHM
CCN(CC)[C@H](C[N-]S(=O)(=O)c1cccnc1C#N)c1ccsc1	ZINC000428238520	559772124	/nfs/dbraw/zinc/77/21/24/559772124.db2.gz	NOPWXTCXJOEZOZ-OAHLLOKOSA-N	-1	3	364.496	2.376	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-][C@H]1CCCN(c2cccc(F)c2)C1	ZINC000428269425	559772633	/nfs/dbraw/zinc/77/26/33/559772633.db2.gz	JLQLXRPRGXCBFT-AWEZNQCLSA-N	-1	3	360.414	2.040	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-][C@H]1CCN(c2cccc(Cl)c2)C1	ZINC000428370430	559774010	/nfs/dbraw/zinc/77/40/10/559774010.db2.gz	QMKMBHZYFLYUKG-ZDUSSCGKSA-N	-1	3	362.842	2.164	20	30		FEEDHM
CO[C@H](C[N-]S(=O)(=O)c1cccnc1C#N)c1cccc(Cl)c1	ZINC000428409591	559775055	/nfs/dbraw/zinc/77/50/55/559775055.db2.gz	NFXRFSCXLUMNSE-CQSZACIVSA-N	-1	3	351.815	2.273	20	30		FEEDHM
C=CCOc1ccccc1C[N-]S(=O)(=O)c1cc(C(=O)OC)c(C)o1	ZINC000431850492	559847152	/nfs/dbraw/zinc/84/71/52/559847152.db2.gz	WSCYENQQXMWTBW-UHFFFAOYSA-N	-1	3	365.407	2.418	20	30		FEEDHM
CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N(CCC#N)C(C)C	ZINC000527354389	562286199	/nfs/dbraw/zinc/28/61/99/562286199.db2.gz	PRRSDJSCHHXDSL-UHFFFAOYSA-N	-1	3	351.428	2.322	20	30		FEEDHM
C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1ccc(Br)cn1	ZINC000435599602	559925800	/nfs/dbraw/zinc/92/58/00/559925800.db2.gz	XJEBBEFNFGZKRM-ZWNOBZJWSA-N	-1	3	361.261	2.104	20	30		FEEDHM
C=C(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-]	ZINC000435601305	559925909	/nfs/dbraw/zinc/92/59/09/559925909.db2.gz	LJSJIBGCVJEFGZ-DZGCQCFKSA-N	-1	3	354.428	2.471	20	30		FEEDHM
COC(=O)CN(CC#N)C(=O)c1cc(OCc2ccccc2)ccc1[O-]	ZINC000436528816	559944685	/nfs/dbraw/zinc/94/46/85/559944685.db2.gz	MMKBBMORRMGYDY-UHFFFAOYSA-N	-1	3	354.362	2.110	20	30		FEEDHM
N#Cc1ccc(-n2ccc(NC(=O)c3c([O-])cccc3O)n2)c(Cl)c1	ZINC000436768575	559951426	/nfs/dbraw/zinc/95/14/26/559951426.db2.gz	IHLDRORBZPIGCZ-UHFFFAOYSA-N	-1	3	354.753	3.061	20	30		FEEDHM
C=CCCCCCN(C)C(=O)NCC[N-]S(=O)(=O)c1cccs1	ZINC000437412815	559964478	/nfs/dbraw/zinc/96/44/78/559964478.db2.gz	NBCKEVVHPHUZJL-UHFFFAOYSA-N	-1	3	359.517	2.414	20	30		FEEDHM
N#Cc1csc(C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)c1	ZINC000438331336	559977265	/nfs/dbraw/zinc/97/72/65/559977265.db2.gz	AHSJRNXGNBYWKJ-UHFFFAOYSA-N	-1	3	355.419	2.360	20	30		FEEDHM
CN(C)[C@@H](C[N-]S(=O)(=O)Cc1ccc(C#N)cc1F)c1ccco1	ZINC000440058046	560003957	/nfs/dbraw/zinc/00/39/57/560003957.db2.gz	BJNOMLFMULEQQW-HNNXBMFYSA-N	-1	3	351.403	2.013	20	30		FEEDHM
C/C=C/C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C(=O)OCC	ZINC000440096005	560004668	/nfs/dbraw/zinc/00/46/68/560004668.db2.gz	YCVXLVPKTBAKGY-MASHWEEQSA-N	-1	3	356.831	2.388	20	30		FEEDHM
COc1ccc(OC)c(C[N-]S(=O)(=O)c2ccc(F)cc2C#N)c1	ZINC000443094403	560070497	/nfs/dbraw/zinc/07/04/97/560070497.db2.gz	OXDIAZGGGJHULG-UHFFFAOYSA-N	-1	3	350.371	2.193	20	30		FEEDHM
N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]Cc1ccc(OCCO)cc1	ZINC000443189257	560074124	/nfs/dbraw/zinc/07/41/24/560074124.db2.gz	JGOKLCTYPTWDBU-UHFFFAOYSA-N	-1	3	366.826	2.061	20	30		FEEDHM
CCCCOCCOCC[N-]S(=O)(=O)c1ccc(Cl)cc1C#N	ZINC000443317801	560079294	/nfs/dbraw/zinc/07/92/94/560079294.db2.gz	YPJBMVRTBYAFLL-UHFFFAOYSA-N	-1	3	360.863	2.323	20	30		FEEDHM
C=CCN(C(=O)c1cc(C)nc(=O)[n-]1)[C@@H](Cc1ccccc1)C(=O)OCC	ZINC000444371140	560111951	/nfs/dbraw/zinc/11/19/51/560111951.db2.gz	LGHBEZNIXMBUAI-KRWDZBQOSA-N	-1	3	369.421	2.293	20	30		FEEDHM
COC(=O)[C@H]([N-]S(=O)(=O)CC1(CC#N)CC1)c1cc(C)cc(C)c1	ZINC000451402301	560304719	/nfs/dbraw/zinc/30/47/19/560304719.db2.gz	ITTFTVNFADSSKM-OAHLLOKOSA-N	-1	3	350.440	2.131	20	30		FEEDHM
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]CC1CCC(C#N)CC1	ZINC000451512234	560311200	/nfs/dbraw/zinc/31/12/00/560311200.db2.gz	REVGAXIRKSZFHQ-MCIGGMRASA-N	-1	3	370.393	2.120	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)CC(C)(C)CC#N)C(=O)N1c2ccccc2C[C@H]1C	ZINC000451992668	560343366	/nfs/dbraw/zinc/34/33/66/560343366.db2.gz	UIACONBETGFNLD-ZIAGYGMSSA-N	-1	3	363.483	2.212	20	30		FEEDHM
C[C@H](C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)N1CCCC[C@@H]1C	ZINC000467156775	560905050	/nfs/dbraw/zinc/90/50/50/560905050.db2.gz	CFXFSSRZIOTLPE-NWDGAFQWSA-N	-1	3	357.426	2.378	20	30		FEEDHM
N#Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccc(OCCO)cc2)c1	ZINC000475815337	561106001	/nfs/dbraw/zinc/10/60/01/561106001.db2.gz	NDBYWKFDEOYVAU-UHFFFAOYSA-N	-1	3	366.826	2.061	20	30		FEEDHM
N#Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2cccc(NC(N)=O)c2)c1	ZINC000476331938	561116784	/nfs/dbraw/zinc/11/67/84/561116784.db2.gz	DUYRQAACSXWQAG-UHFFFAOYSA-N	-1	3	364.814	2.181	20	30		FEEDHM
N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](CO)Cc2ccc(F)cc2)c1	ZINC000476492832	561120870	/nfs/dbraw/zinc/12/08/70/561120870.db2.gz	OWOYYFBPKMUYCT-AWEZNQCLSA-N	-1	3	368.817	2.233	20	30		FEEDHM
CC#CCC[N-]S(=O)(=O)c1cc(F)c(Br)cc1OC	ZINC000476529599	561121839	/nfs/dbraw/zinc/12/18/39/561121839.db2.gz	DIYDGEVVOJRACO-UHFFFAOYSA-N	-1	3	350.209	2.289	20	30		FEEDHM
CCN(CC[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C1CC1	ZINC000477006205	561134148	/nfs/dbraw/zinc/13/41/48/561134148.db2.gz	LISMZZFPPSEFHZ-UHFFFAOYSA-N	-1	3	361.389	2.340	20	30		FEEDHM
C[C@H]1CCN(Cc2ccccc2)C[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)o1	ZINC000528530810	562334496	/nfs/dbraw/zinc/33/44/96/562334496.db2.gz	VFTPXUPXRDVLQC-YOEHRIQHSA-N	-1	3	359.451	2.340	20	30		FEEDHM
CCC[C@H](C#N)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br	ZINC000534900343	562544821	/nfs/dbraw/zinc/54/48/21/562544821.db2.gz	BUMYJAKTUDAOPA-MRVPVSSYSA-N	-1	3	362.205	2.328	20	30		FEEDHM
CCCNS(=O)(=O)c1ccc([N-]S(=O)(=O)CCC(C)(C)C#N)cc1	ZINC000549720440	562638324	/nfs/dbraw/zinc/63/83/24/562638324.db2.gz	KWZXBCBGJYQHIQ-UHFFFAOYSA-N	-1	3	373.500	2.056	20	30		FEEDHM
CSC[C@](C)(C#N)[N-]S(=O)(=O)c1cscc1Br	ZINC000601960957	567887163	/nfs/dbraw/zinc/88/71/63/567887163.db2.gz	VKEONMSNGRBTAX-VIFPVBQESA-N	-1	3	355.304	2.434	20	30		FEEDHM
N#Cc1ccc(F)c(CS(=O)(=O)[N-][C@@H]2COc3ccc(F)cc3C2)c1	ZINC000569382846	568399901	/nfs/dbraw/zinc/39/99/01/568399901.db2.gz	IFEMQDDLCIHHNM-HNNXBMFYSA-N	-1	3	364.373	2.260	20	30		FEEDHM
CC(C)c1nc(S(=O)(=O)[N-]Cc2cc(F)c(C#N)c(F)c2)cn1C	ZINC000569708462	568413225	/nfs/dbraw/zinc/41/32/25/568413225.db2.gz	MDAQEMWNIXOMCI-UHFFFAOYSA-N	-1	3	354.382	2.172	20	30		FEEDHM
CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1ccc2c(c1)OCCO2	ZINC000819773108	607252396	/nfs/dbraw/zinc/25/23/96/607252396.db2.gz	ODESUVZRGOOBFR-UHFFFAOYSA-N	-1	3	350.382	2.152	20	30		FEEDHM
CC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1ccc2c(c1)OCCO2	ZINC000819773108	607252397	/nfs/dbraw/zinc/25/23/97/607252397.db2.gz	ODESUVZRGOOBFR-UHFFFAOYSA-N	-1	3	350.382	2.152	20	30		FEEDHM
Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CN(CCC#N)C(C)C	ZINC000737525605	598852447	/nfs/dbraw/zinc/85/24/47/598852447.db2.gz	UONZPXLODNMZFV-UHFFFAOYSA-N	-1	3	351.418	2.015	20	30		FEEDHM
Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CN(CCC#N)C(C)C	ZINC000737525605	598852448	/nfs/dbraw/zinc/85/24/48/598852448.db2.gz	UONZPXLODNMZFV-UHFFFAOYSA-N	-1	3	351.418	2.015	20	30		FEEDHM
N#Cc1ccc(NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)cc1-c1nnn[n-]1	ZINC000737716613	598914326	/nfs/dbraw/zinc/91/43/26/598914326.db2.gz	SRSHXZZVIXVCPB-BAQGIRSFSA-N	-1	3	361.321	2.298	20	30		FEEDHM
N#Cc1ccc(NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)cc1-c1nn[n-]n1	ZINC000737716613	598914327	/nfs/dbraw/zinc/91/43/27/598914327.db2.gz	SRSHXZZVIXVCPB-BAQGIRSFSA-N	-1	3	361.321	2.298	20	30		FEEDHM
N#Cc1cc(NC(=O)c2ccc(Cn3cccn3)cc2)ccc1-c1nnn[n-]1	ZINC000737709526	598918662	/nfs/dbraw/zinc/91/86/62/598918662.db2.gz	OZAMJGLGRWFRNI-UHFFFAOYSA-N	-1	3	370.376	2.235	20	30		FEEDHM
N#Cc1cc(NC(=O)c2ccc(Cn3cccn3)cc2)ccc1-c1nn[n-]n1	ZINC000737709526	598918665	/nfs/dbraw/zinc/91/86/65/598918665.db2.gz	OZAMJGLGRWFRNI-UHFFFAOYSA-N	-1	3	370.376	2.235	20	30		FEEDHM
N#Cc1cc(NC(=O)[C@H]2Cc3cc(Cl)ccc3O2)ccc1-c1nnn[n-]1	ZINC000737706349	598921317	/nfs/dbraw/zinc/92/13/17/598921317.db2.gz	XGGOPOUUGGDMRA-OAHLLOKOSA-N	-1	3	366.768	2.334	20	30		FEEDHM
N#Cc1cc(NC(=O)[C@H]2Cc3cc(Cl)ccc3O2)ccc1-c1nn[n-]n1	ZINC000737706349	598921319	/nfs/dbraw/zinc/92/13/19/598921319.db2.gz	XGGOPOUUGGDMRA-OAHLLOKOSA-N	-1	3	366.768	2.334	20	30		FEEDHM
N#Cc1cc(NC(=O)c2ccc(N3CCCC3=O)cc2)ccc1-c1nnn[n-]1	ZINC000737709211	598921541	/nfs/dbraw/zinc/92/15/41/598921541.db2.gz	LJFKUBSDZHTMCN-UHFFFAOYSA-N	-1	3	373.376	2.117	20	30		FEEDHM
N#Cc1cc(NC(=O)c2ccc(N3CCCC3=O)cc2)ccc1-c1nn[n-]n1	ZINC000737709211	598921543	/nfs/dbraw/zinc/92/15/43/598921543.db2.gz	LJFKUBSDZHTMCN-UHFFFAOYSA-N	-1	3	373.376	2.117	20	30		FEEDHM
N#Cc1ccc(NC(=O)C=Cc2cnc3ccccc3n2)cc1-c1nnn[n-]1	ZINC000737716955	598925628	/nfs/dbraw/zinc/92/56/28/598925628.db2.gz	XNMBEFCMDAOXCA-BQYQJAHWSA-N	-1	3	368.360	2.333	20	30		FEEDHM
N#Cc1ccc(NC(=O)C=Cc2cnc3ccccc3n2)cc1-c1nn[n-]n1	ZINC000737716955	598925629	/nfs/dbraw/zinc/92/56/29/598925629.db2.gz	XNMBEFCMDAOXCA-BQYQJAHWSA-N	-1	3	368.360	2.333	20	30		FEEDHM
CCCN(CCC)C(=O)CCC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1	ZINC000736473299	598928284	/nfs/dbraw/zinc/92/82/84/598928284.db2.gz	NNRIACREUXKWII-UHFFFAOYSA-N	-1	3	369.429	2.106	20	30		FEEDHM
CCCN(CCC)C(=O)CCC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1	ZINC000736473299	598928286	/nfs/dbraw/zinc/92/82/86/598928286.db2.gz	NNRIACREUXKWII-UHFFFAOYSA-N	-1	3	369.429	2.106	20	30		FEEDHM
COc1cc(C)c(C=NNCc2ccc(-c3nnn[n-]3)cc2)cc1OC	ZINC000821708412	607253855	/nfs/dbraw/zinc/25/38/55/607253855.db2.gz	PHDMMURPNPUXQR-UHFFFAOYSA-N	-1	3	352.398	2.316	20	30		FEEDHM
COc1cc(C)c(C=NNCc2ccc(-c3nn[n-]n3)cc2)cc1OC	ZINC000821708412	607253856	/nfs/dbraw/zinc/25/38/56/607253856.db2.gz	PHDMMURPNPUXQR-UHFFFAOYSA-N	-1	3	352.398	2.316	20	30		FEEDHM
C=CCOCCCC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F	ZINC000819759304	599150128	/nfs/dbraw/zinc/15/01/28/599150128.db2.gz	STXAGKUAUUCBDE-UHFFFAOYSA-N	-1	3	353.329	2.389	20	30		FEEDHM
C=CCOCCCC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F	ZINC000819759304	599150129	/nfs/dbraw/zinc/15/01/29/599150129.db2.gz	STXAGKUAUUCBDE-UHFFFAOYSA-N	-1	3	353.329	2.389	20	30		FEEDHM
CS(=O)(=O)c1ccc(C(=O)C=Cc2cccc(-c3nnn[n-]3)c2)cc1F	ZINC000737174289	599156908	/nfs/dbraw/zinc/15/69/08/599156908.db2.gz	TZCKFCZYUDXTJP-ALCCZGGFSA-N	-1	3	372.381	2.305	20	30		FEEDHM
CS(=O)(=O)c1ccc(C(=O)C=Cc2cccc(-c3nn[n-]n3)c2)cc1F	ZINC000737174289	599156911	/nfs/dbraw/zinc/15/69/11/599156911.db2.gz	TZCKFCZYUDXTJP-ALCCZGGFSA-N	-1	3	372.381	2.305	20	30		FEEDHM
N#Cc1cccc(C(=O)N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)c1	ZINC000737722016	598236592	/nfs/dbraw/zinc/23/65/92/598236592.db2.gz	DWJVXIREFKYEEX-UHFFFAOYSA-N	-1	3	374.404	2.422	20	30		FEEDHM
N#Cc1cccc(C(=O)N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)c1	ZINC000737722016	598236594	/nfs/dbraw/zinc/23/65/94/598236594.db2.gz	DWJVXIREFKYEEX-UHFFFAOYSA-N	-1	3	374.404	2.422	20	30		FEEDHM
O=C(C=Cc1cnc(N2CCOCC2)s1)c1ccc(-c2nnn[n-]2)cc1	ZINC000737808499	598308788	/nfs/dbraw/zinc/30/87/88/598308788.db2.gz	UOZAYZSEWGDVEF-AATRIKPKSA-N	-1	3	368.422	2.056	20	30		FEEDHM
O=C(C=Cc1cnc(N2CCOCC2)s1)c1ccc(-c2nn[n-]n2)cc1	ZINC000737808499	598308789	/nfs/dbraw/zinc/30/87/89/598308789.db2.gz	UOZAYZSEWGDVEF-AATRIKPKSA-N	-1	3	368.422	2.056	20	30		FEEDHM
C=CCCO[C@@H](C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F	ZINC000735416721	598544735	/nfs/dbraw/zinc/54/47/35/598544735.db2.gz	PMYMJOIXZYDBEL-VIFPVBQESA-N	-1	3	353.329	2.388	20	30		FEEDHM
C=CCCO[C@@H](C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F	ZINC000735416721	598544736	/nfs/dbraw/zinc/54/47/36/598544736.db2.gz	PMYMJOIXZYDBEL-VIFPVBQESA-N	-1	3	353.329	2.388	20	30		FEEDHM
N#Cc1ccc(N2CCC[C@H]2C(=O)NCc2cccc(-c3nnn[n-]3)c2)cc1	ZINC000737719248	598577801	/nfs/dbraw/zinc/57/78/01/598577801.db2.gz	RVFWUFNQCVARJQ-SFHVURJKSA-N	-1	3	373.420	2.024	20	30		FEEDHM
N#Cc1ccc(N2CCC[C@H]2C(=O)NCc2cccc(-c3nn[n-]n3)c2)cc1	ZINC000737719248	598577802	/nfs/dbraw/zinc/57/78/02/598577802.db2.gz	RVFWUFNQCVARJQ-SFHVURJKSA-N	-1	3	373.420	2.024	20	30		FEEDHM
N#Cc1cccc(CNC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)c1	ZINC000737722172	598577867	/nfs/dbraw/zinc/57/78/67/598577867.db2.gz	FFEILRHFXMHQAU-GOSISDBHSA-N	-1	3	373.420	2.024	20	30		FEEDHM
N#Cc1ccc(N2CCN(c3ccc(-c4nnn[n-]4)c(Cl)c3)CC2)nc1	ZINC000737719409	598657032	/nfs/dbraw/zinc/65/70/32/598657032.db2.gz	UFKYQBICTZDXCQ-UHFFFAOYSA-N	-1	3	366.816	2.113	20	30		FEEDHM
N#Cc1ccc(N2CCN(c3ccc(-c4nn[n-]n4)c(Cl)c3)CC2)nc1	ZINC000737719409	598657034	/nfs/dbraw/zinc/65/70/34/598657034.db2.gz	UFKYQBICTZDXCQ-UHFFFAOYSA-N	-1	3	366.816	2.113	20	30		FEEDHM
C[C@H](C#N)CN(C)C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1	ZINC000735502448	598684018	/nfs/dbraw/zinc/68/40/18/598684018.db2.gz	DRFGDWCQGXTMKB-GFCCVEGCSA-N	-1	3	363.381	2.286	20	30		FEEDHM
C[C@H](C#N)CN(C)C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1	ZINC000735502448	598684020	/nfs/dbraw/zinc/68/40/20/598684020.db2.gz	DRFGDWCQGXTMKB-GFCCVEGCSA-N	-1	3	363.381	2.286	20	30		FEEDHM
N#Cc1cc(F)ccc1CN1CCN(c2ccccc2-c2nnn[n-]2)CC1	ZINC000737705634	598684694	/nfs/dbraw/zinc/68/46/94/598684694.db2.gz	QMQMKEKUYJTGQF-UHFFFAOYSA-N	-1	3	363.400	2.200	20	30		FEEDHM
N#Cc1cc(F)ccc1CN1CCN(c2ccccc2-c2nn[n-]n2)CC1	ZINC000737705634	598684696	/nfs/dbraw/zinc/68/46/96/598684696.db2.gz	QMQMKEKUYJTGQF-UHFFFAOYSA-N	-1	3	363.400	2.200	20	30		FEEDHM
C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCc1ccc(F)cc1C#N	ZINC000736188804	598706220	/nfs/dbraw/zinc/70/62/20/598706220.db2.gz	QEONIRFCQIXRDE-LLVKDONJSA-N	-1	3	367.340	2.388	20	30		FEEDHM
C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OCc1ccc(F)cc1C#N	ZINC000736188804	598706221	/nfs/dbraw/zinc/70/62/21/598706221.db2.gz	QEONIRFCQIXRDE-LLVKDONJSA-N	-1	3	367.340	2.388	20	30		FEEDHM
N#Cc1ccc(OC2CCN(C(=O)c3cccc(-c4nnn[n-]4)c3)CC2)cc1	ZINC000737720938	598747265	/nfs/dbraw/zinc/74/72/65/598747265.db2.gz	CBPZAEIJPWDPBE-UHFFFAOYSA-N	-1	3	374.404	2.422	20	30		FEEDHM
N#Cc1ccc(OC2CCN(C(=O)c3cccc(-c4nn[n-]n4)c3)CC2)cc1	ZINC000737720938	598747267	/nfs/dbraw/zinc/74/72/67/598747267.db2.gz	CBPZAEIJPWDPBE-UHFFFAOYSA-N	-1	3	374.404	2.422	20	30		FEEDHM
C=CCNC(=O)c1ccccc1NCCOc1cccc(-c2nnn[n-]2)c1	ZINC000735432175	599325087	/nfs/dbraw/zinc/32/50/87/599325087.db2.gz	NIPATOAVORGEGV-UHFFFAOYSA-N	-1	3	364.409	2.273	20	30		FEEDHM
C=CCNC(=O)c1ccccc1NCCOc1cccc(-c2nn[n-]n2)c1	ZINC000735432175	599325090	/nfs/dbraw/zinc/32/50/90/599325090.db2.gz	NIPATOAVORGEGV-UHFFFAOYSA-N	-1	3	364.409	2.273	20	30		FEEDHM
C=CCOc1ccc(OCC(=O)NCc2cccc(-c3nnn[n-]3)c2)cc1	ZINC000819759129	599388325	/nfs/dbraw/zinc/38/83/25/599388325.db2.gz	ORDPURPMNGEZFW-UHFFFAOYSA-N	-1	3	365.393	2.127	20	30		FEEDHM
C=CCOc1ccc(OCC(=O)NCc2cccc(-c3nn[n-]n3)c2)cc1	ZINC000819759129	599388327	/nfs/dbraw/zinc/38/83/27/599388327.db2.gz	ORDPURPMNGEZFW-UHFFFAOYSA-N	-1	3	365.393	2.127	20	30		FEEDHM
COc1ccc2c(c1)C(=O)C(=Cc1cnc3ccc(-c4nnn[n-]4)cn13)CO2	ZINC000737113222	599462648	/nfs/dbraw/zinc/46/26/48/599462648.db2.gz	ADQWZMYZVCEJNT-WUXMJOGZSA-N	-1	3	374.360	2.182	20	30		FEEDHM
COc1ccc2c(c1)C(=O)C(=Cc1cnc3ccc(-c4nn[n-]n4)cn13)CO2	ZINC000737113222	599462650	/nfs/dbraw/zinc/46/26/50/599462650.db2.gz	ADQWZMYZVCEJNT-WUXMJOGZSA-N	-1	3	374.360	2.182	20	30		FEEDHM
COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)CCCNC(=O)[O-]	ZINC000737887694	599798815	/nfs/dbraw/zinc/79/88/15/599798815.db2.gz	YWCXPMCEOCZTGZ-JTQLQIEISA-N	-1	3	367.789	2.352	20	30		FEEDHM
C[C@H](Oc1ccc(C#N)cc1)C(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1	ZINC000824738221	607421931	/nfs/dbraw/zinc/42/19/31/607421931.db2.gz	MYAOLPZYTRVXHW-ZDUSSCGKSA-N	-1	3	374.404	2.311	20	30		FEEDHM
C[C@H](Oc1ccc(C#N)cc1)C(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1	ZINC000824738221	607421932	/nfs/dbraw/zinc/42/19/32/607421932.db2.gz	MYAOLPZYTRVXHW-ZDUSSCGKSA-N	-1	3	374.404	2.311	20	30		FEEDHM
N#CCC[C@@H](NC(=O)CNc1ccc(-c2nn[n-]n2)cc1)c1ccccc1	ZINC000826381478	607429472	/nfs/dbraw/zinc/42/94/72/607429472.db2.gz	NGJLZZCZSKBYIL-QGZVFWFLSA-N	-1	3	361.409	2.440	20	30		FEEDHM
Cc1nsc(N2CCCN([C@@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)n1	ZINC000833023942	601035799	/nfs/dbraw/zinc/03/57/99/601035799.db2.gz	MLMTYDIOMFEOSF-OAHLLOKOSA-N	-1	3	357.439	2.056	20	30		FEEDHM
CCc1nsc(N2CCCN([C@@H](C(=O)[O-])c3cccc(C#N)c3)CC2)n1	ZINC000830351180	601321970	/nfs/dbraw/zinc/32/19/70/601321970.db2.gz	SXFZCLNKRQRDSH-MRXNPFEDSA-N	-1	3	371.466	2.310	20	30		FEEDHM
C#Cc1cccc(NC(=S)NCc2ccc(OC)c(-c3nnn[n-]3)c2)c1	ZINC000823861426	607529062	/nfs/dbraw/zinc/52/90/62/607529062.db2.gz	IEESZIMJIHROEV-UHFFFAOYSA-N	-1	3	364.434	2.343	20	30		FEEDHM
C#Cc1cccc(NC(=S)NCc2ccc(OC)c(-c3nn[n-]n3)c2)c1	ZINC000823861426	607529063	/nfs/dbraw/zinc/52/90/63/607529063.db2.gz	IEESZIMJIHROEV-UHFFFAOYSA-N	-1	3	364.434	2.343	20	30		FEEDHM
Cc1sc(NC(=O)CN[C@@](C)(CNC(=O)[O-])C2CC2)c(C#N)c1C	ZINC000830956392	605171598	/nfs/dbraw/zinc/17/15/98/605171598.db2.gz	HPUHLCWUHMBMFT-INIZCTEOSA-N	-1	3	350.444	2.201	20	30		FEEDHM
C[C@H]1CN(CCC(=O)[O-])CCN1Cc1cc(Cl)ccc1OCC#N	ZINC000833628439	605196554	/nfs/dbraw/zinc/19/65/54/605196554.db2.gz	IFOBUKBHXWFKEI-ZDUSSCGKSA-N	-1	3	351.834	2.223	20	30		FEEDHM
Cn1c2ccccc2nc1C(C#N)C(=O)C[C@@H]1CSCCN1C(=O)[O-]	ZINC000830968784	605345283	/nfs/dbraw/zinc/34/52/83/605345283.db2.gz	JNZODAKONHFXCL-VXGBXAGGSA-N	-1	3	358.423	2.235	20	30		FEEDHM
N#Cc1cc2ccccc2nc1NCCNc1ncccc1-c1nnn[n-]1	ZINC000822823666	606057132	/nfs/dbraw/zinc/05/71/32/606057132.db2.gz	XDRHWEMZXZKVQG-UHFFFAOYSA-N	-1	3	357.381	2.206	20	30		FEEDHM
N#Cc1cc2ccccc2nc1NCCNc1ncccc1-c1nn[n-]n1	ZINC000822823666	606057137	/nfs/dbraw/zinc/05/71/37/606057137.db2.gz	XDRHWEMZXZKVQG-UHFFFAOYSA-N	-1	3	357.381	2.206	20	30		FEEDHM
N#Cc1cccc(N[C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)c1	ZINC000822837198	606243583	/nfs/dbraw/zinc/24/35/83/606243583.db2.gz	JCPHNBYHHUKMKT-ZDUSSCGKSA-N	-1	3	351.395	2.017	20	30		FEEDHM
N#Cc1cccc(N[C@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)c1	ZINC000822837198	606243585	/nfs/dbraw/zinc/24/35/85/606243585.db2.gz	JCPHNBYHHUKMKT-ZDUSSCGKSA-N	-1	3	351.395	2.017	20	30		FEEDHM
Cc1ccc(-c2nnn[n-]2)cc1N[C@H]1CCN(c2ccc(C#N)cc2)C1=O	ZINC000822220225	606248601	/nfs/dbraw/zinc/24/86/01/606248601.db2.gz	IZLPSGOBGWHLEZ-INIZCTEOSA-N	-1	3	359.393	2.264	20	30		FEEDHM
Cc1ccc(-c2nn[n-]n2)cc1N[C@H]1CCN(c2ccc(C#N)cc2)C1=O	ZINC000822220225	606248603	/nfs/dbraw/zinc/24/86/03/606248603.db2.gz	IZLPSGOBGWHLEZ-INIZCTEOSA-N	-1	3	359.393	2.264	20	30		FEEDHM
CSc1nc(C2CC2)cc(C(=O)N[C@@H]2CCC[C@H]2C#N)c1-c1nnn[n-]1	ZINC000821990831	606325568	/nfs/dbraw/zinc/32/55/68/606325568.db2.gz	XAWGARNKMAVSKH-CMPLNLGQSA-N	-1	3	369.454	2.283	20	30		FEEDHM
N#Cc1cc(F)ccc1NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F	ZINC000822823638	606347795	/nfs/dbraw/zinc/34/77/95/606347795.db2.gz	VTFVJADSPBALJZ-UHFFFAOYSA-N	-1	3	355.308	2.338	20	30		FEEDHM
N#Cc1cc(F)ccc1NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F	ZINC000822823638	606347797	/nfs/dbraw/zinc/34/77/97/606347797.db2.gz	VTFVJADSPBALJZ-UHFFFAOYSA-N	-1	3	355.308	2.338	20	30		FEEDHM
N#Cc1c(Cl)nsc1N1CCc2c(sc(N)c2-c2nnn[n-]2)C1	ZINC000822819343	606445641	/nfs/dbraw/zinc/44/56/41/606445641.db2.gz	QMCAHJRZGPPJDO-UHFFFAOYSA-N	-1	3	364.847	2.055	20	30		FEEDHM
N#Cc1c(Cl)nsc1N1CCc2c(sc(N)c2-c2nn[n-]n2)C1	ZINC000822819343	606445642	/nfs/dbraw/zinc/44/56/42/606445642.db2.gz	QMCAHJRZGPPJDO-UHFFFAOYSA-N	-1	3	364.847	2.055	20	30		FEEDHM
Cn1cc(-c2nnn[n-]2)cc1C(=O)OCc1ccc(C#N)cc1OC(F)F	ZINC000822665608	606561206	/nfs/dbraw/zinc/56/12/06/606561206.db2.gz	STHVNLHPKOVUJZ-UHFFFAOYSA-N	-1	3	374.307	2.035	20	30		FEEDHM
Cn1cc(-c2nn[n-]n2)cc1C(=O)OCc1ccc(C#N)cc1OC(F)F	ZINC000822665608	606561208	/nfs/dbraw/zinc/56/12/08/606561208.db2.gz	STHVNLHPKOVUJZ-UHFFFAOYSA-N	-1	3	374.307	2.035	20	30		FEEDHM
CN(CCC#N)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1	ZINC000821598221	606642073	/nfs/dbraw/zinc/64/20/73/606642073.db2.gz	VIECFCRCIAILIM-UHFFFAOYSA-N	-1	3	364.369	2.431	20	30		FEEDHM
COc1c(F)ccc(F)c1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1	ZINC000821698559	606680860	/nfs/dbraw/zinc/68/08/60/606680860.db2.gz	OWSRREWYHVIJOZ-UHFFFAOYSA-N	-1	3	356.292	2.277	20	30		FEEDHM
COc1c(F)ccc(F)c1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1	ZINC000821698559	606680861	/nfs/dbraw/zinc/68/08/61/606680861.db2.gz	OWSRREWYHVIJOZ-UHFFFAOYSA-N	-1	3	356.292	2.277	20	30		FEEDHM
CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1ncc(C#N)s1	ZINC000820032993	607107573	/nfs/dbraw/zinc/10/75/73/607107573.db2.gz	RAAIJCXMQVQAEW-ZDUSSCGKSA-N	-1	3	369.410	2.237	20	30		FEEDHM
CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1ncc(C#N)s1	ZINC000820032993	607107574	/nfs/dbraw/zinc/10/75/74/607107574.db2.gz	RAAIJCXMQVQAEW-ZDUSSCGKSA-N	-1	3	369.410	2.237	20	30		FEEDHM
C[C@H](NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl)c1ccc(C#N)cc1	ZINC000820403923	607232504	/nfs/dbraw/zinc/23/25/04/607232504.db2.gz	MYQWGIGABCAYKB-VIFPVBQESA-N	-1	3	353.773	2.278	20	30		FEEDHM
C[C@H](NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl)c1ccc(C#N)cc1	ZINC000820403923	607232505	/nfs/dbraw/zinc/23/25/05/607232505.db2.gz	MYQWGIGABCAYKB-VIFPVBQESA-N	-1	3	353.773	2.278	20	30		FEEDHM
CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1	ZINC000820005848	607237903	/nfs/dbraw/zinc/23/79/03/607237903.db2.gz	XXGHUNQYTGVEAP-UHFFFAOYSA-N	-1	3	373.376	2.406	20	30		FEEDHM
CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1	ZINC000820005848	607237904	/nfs/dbraw/zinc/23/79/04/607237904.db2.gz	XXGHUNQYTGVEAP-UHFFFAOYSA-N	-1	3	373.376	2.406	20	30		FEEDHM
CN(C)c1ccc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c(F)c1	ZINC000825875829	607785812	/nfs/dbraw/zinc/78/58/12/607785812.db2.gz	ZAAJMEFDYTZMBF-UHFFFAOYSA-N	-1	3	351.345	2.196	20	30		FEEDHM
CN(C)c1ccc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c(F)c1	ZINC000825875829	607785813	/nfs/dbraw/zinc/78/58/13/607785813.db2.gz	ZAAJMEFDYTZMBF-UHFFFAOYSA-N	-1	3	351.345	2.196	20	30		FEEDHM
Cc1sc(NC(=O)CN(C[C@@H](C)C#N)C2CC2)c(-c2nnn[n-]2)c1C	ZINC000826349517	607832127	/nfs/dbraw/zinc/83/21/27/607832127.db2.gz	KMLHPMHXIYMDHN-VIFPVBQESA-N	-1	3	359.459	2.108	20	30		FEEDHM
Cc1sc(NC(=O)CN(C[C@@H](C)C#N)C2CC2)c(-c2nn[n-]n2)c1C	ZINC000826349517	607832128	/nfs/dbraw/zinc/83/21/28/607832128.db2.gz	KMLHPMHXIYMDHN-VIFPVBQESA-N	-1	3	359.459	2.108	20	30		FEEDHM
Cc1cc(C#N)cc(C)c1OC[C@H](O)COc1ccc(-c2nn[n-]n2)cc1	ZINC000826256309	607874384	/nfs/dbraw/zinc/87/43/84/607874384.db2.gz	CQBVNUJRZDXBGK-MRXNPFEDSA-N	-1	3	365.393	2.174	20	30		FEEDHM
C=C[C@@H](CC(=O)Nc1nc2n(c1-c1nnn[n-]1)CCS2)c1ccccc1	ZINC000823883687	608004471	/nfs/dbraw/zinc/00/44/71/608004471.db2.gz	XMOSCMUZJBKMJU-NSHDSACASA-N	-1	3	367.438	2.467	20	30		FEEDHM
C=C[C@@H](CC(=O)Nc1nc2n(c1-c1nn[n-]n1)CCS2)c1ccccc1	ZINC000823883687	608004472	/nfs/dbraw/zinc/00/44/72/608004472.db2.gz	XMOSCMUZJBKMJU-NSHDSACASA-N	-1	3	367.438	2.467	20	30		FEEDHM
N#CCOc1cccc(CC(=O)OCc2cc(F)ccc2-c2nnn[n-]2)c1	ZINC000826381989	608030157	/nfs/dbraw/zinc/03/01/57/608030157.db2.gz	JEQZERIGCPIVRB-UHFFFAOYSA-N	-1	3	367.340	2.194	20	30		FEEDHM
N#CCOc1cccc(CC(=O)OCc2cc(F)ccc2-c2nn[n-]n2)c1	ZINC000826381989	608030158	/nfs/dbraw/zinc/03/01/58/608030158.db2.gz	JEQZERIGCPIVRB-UHFFFAOYSA-N	-1	3	367.340	2.194	20	30		FEEDHM
COCc1cnc(C=CC(=O)c2c(C)n3c(c2-c2nnn[n-]2)CCC3)s1	ZINC000826165238	608213142	/nfs/dbraw/zinc/21/31/42/608213142.db2.gz	LPSQGENONOOXHL-AATRIKPKSA-N	-1	3	370.438	2.422	20	30		FEEDHM
COCc1cnc(C=CC(=O)c2c(C)n3c(c2-c2nn[n-]n2)CCC3)s1	ZINC000826165238	608213144	/nfs/dbraw/zinc/21/31/44/608213144.db2.gz	LPSQGENONOOXHL-AATRIKPKSA-N	-1	3	370.438	2.422	20	30		FEEDHM
COCCn1nc(C)c(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)c1C	ZINC000826163890	608230622	/nfs/dbraw/zinc/23/06/22/608230622.db2.gz	QAFZCHYUTGLOJX-SNAWJCMRSA-N	-1	3	358.427	2.284	20	30		FEEDHM
COCCn1nc(C)c(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)c1C	ZINC000826163890	608230623	/nfs/dbraw/zinc/23/06/23/608230623.db2.gz	QAFZCHYUTGLOJX-SNAWJCMRSA-N	-1	3	358.427	2.284	20	30		FEEDHM
C#CCCCCC(=O)OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1	ZINC000823841636	608323487	/nfs/dbraw/zinc/32/34/87/608323487.db2.gz	RDEZHZMIIPEADF-UHFFFAOYSA-N	-1	3	352.354	2.154	20	30		FEEDHM
C#CCCCCC(=O)OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1	ZINC000823841636	608323488	/nfs/dbraw/zinc/32/34/88/608323488.db2.gz	RDEZHZMIIPEADF-UHFFFAOYSA-N	-1	3	352.354	2.154	20	30		FEEDHM
N#Cc1ccnc(N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c1[N+](=O)[O-]	ZINC000826387785	608442697	/nfs/dbraw/zinc/44/26/97/608442697.db2.gz	QSIYYZFUXRWRQJ-UHFFFAOYSA-N	-1	3	374.364	2.335	20	30		FEEDHM
N#Cc1ccnc(N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c1[N+](=O)[O-]	ZINC000826387785	608442699	/nfs/dbraw/zinc/44/26/99/608442699.db2.gz	QSIYYZFUXRWRQJ-UHFFFAOYSA-N	-1	3	374.364	2.335	20	30		FEEDHM
COc1cccc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)c1OC	ZINC000826214907	608540467	/nfs/dbraw/zinc/54/04/67/608540467.db2.gz	AOXXLIWLXLGNMG-UHFFFAOYSA-N	-1	3	359.777	2.378	20	30		FEEDHM
COc1cccc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)c1OC	ZINC000826214907	608540469	/nfs/dbraw/zinc/54/04/69/608540469.db2.gz	AOXXLIWLXLGNMG-UHFFFAOYSA-N	-1	3	359.777	2.378	20	30		FEEDHM
Clc1cc(-c2nnn[n-]2)cc(N=NCc2cccc3c2OCCO3)n1	ZINC000826350483	608540928	/nfs/dbraw/zinc/54/09/28/608540928.db2.gz	YMTIXSVRDYBPCU-UHFFFAOYSA-N	-1	3	357.761	2.132	20	30		FEEDHM
Clc1cc(-c2nn[n-]n2)cc(N=NCc2cccc3c2OCCO3)n1	ZINC000826350483	608540930	/nfs/dbraw/zinc/54/09/30/608540930.db2.gz	YMTIXSVRDYBPCU-UHFFFAOYSA-N	-1	3	357.761	2.132	20	30		FEEDHM
N#Cc1ccncc1NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1	ZINC000826387852	608796990	/nfs/dbraw/zinc/79/69/90/608796990.db2.gz	UVMILIZAKLMGNZ-UHFFFAOYSA-N	-1	3	362.397	2.330	20	30		FEEDHM
N#Cc1ccncc1NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1	ZINC000826387852	608796993	/nfs/dbraw/zinc/79/69/93/608796993.db2.gz	UVMILIZAKLMGNZ-UHFFFAOYSA-N	-1	3	362.397	2.330	20	30		FEEDHM
C#CCCCCCC(=O)NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1	ZINC000823840649	609162842	/nfs/dbraw/zinc/16/28/42/609162842.db2.gz	AHMXSJTVRZSDOE-UHFFFAOYSA-N	-1	3	363.425	2.457	20	30		FEEDHM
C#CCCCCCC(=O)NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1	ZINC000823840649	609162845	/nfs/dbraw/zinc/16/28/45/609162845.db2.gz	AHMXSJTVRZSDOE-UHFFFAOYSA-N	-1	3	363.425	2.457	20	30		FEEDHM
Cc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)nn1[C@H](C)C1CC1	ZINC000826260494	609188286	/nfs/dbraw/zinc/18/82/86/609188286.db2.gz	QUCSYZKHEKGDPW-LLVKDONJSA-N	-1	3	362.397	2.467	20	30		FEEDHM
Cc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)nn1[C@H](C)C1CC1	ZINC000826260494	609188288	/nfs/dbraw/zinc/18/82/88/609188288.db2.gz	QUCSYZKHEKGDPW-LLVKDONJSA-N	-1	3	362.397	2.467	20	30		FEEDHM
Cc1cc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)nn1[C@@H](C)C1CC1	ZINC000826260648	609188298	/nfs/dbraw/zinc/18/82/98/609188298.db2.gz	YUYKGZOCLJKKCY-NSHDSACASA-N	-1	3	362.397	2.467	20	30		FEEDHM
Cc1cc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)nn1[C@@H](C)C1CC1	ZINC000826260648	609188300	/nfs/dbraw/zinc/18/83/00/609188300.db2.gz	YUYKGZOCLJKKCY-NSHDSACASA-N	-1	3	362.397	2.467	20	30		FEEDHM
CC1CC(C#N)(C(=O)Nc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)C1	ZINC000824867669	609311176	/nfs/dbraw/zinc/31/11/76/609311176.db2.gz	QDRXVEMYDKYOTL-UHFFFAOYSA-N	-1	3	366.360	2.070	20	30		FEEDHM
N#Cc1ccc(CNc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)o1	ZINC000826385086	609320737	/nfs/dbraw/zinc/32/07/37/609320737.db2.gz	WPOIPMYCYHOWEC-UHFFFAOYSA-N	-1	3	350.317	2.268	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2cc(F)c([N+](=O)[O-])cc2F)cc1-c1nnn[n-]1	ZINC000826385626	609384535	/nfs/dbraw/zinc/38/45/35/609384535.db2.gz	USPOYSBOHJBJGP-UHFFFAOYSA-N	-1	3	371.263	2.177	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2cc(F)c([N+](=O)[O-])cc2F)cc1-c1nn[n-]n1	ZINC000826385626	609384538	/nfs/dbraw/zinc/38/45/38/609384538.db2.gz	USPOYSBOHJBJGP-UHFFFAOYSA-N	-1	3	371.263	2.177	20	30		FEEDHM
CC(C)(C)OC(=O)CCNN=Cc1c[nH]c2ccc(-c3nnn[n-]3)cc12	ZINC000824100497	609468790	/nfs/dbraw/zinc/46/87/90/609468790.db2.gz	RWKYOSNRYUHITI-UHFFFAOYSA-N	-1	3	355.402	2.003	20	30		FEEDHM
CC(C)(C)OC(=O)CCNN=Cc1c[nH]c2ccc(-c3nn[n-]n3)cc12	ZINC000824100497	609468793	/nfs/dbraw/zinc/46/87/93/609468793.db2.gz	RWKYOSNRYUHITI-UHFFFAOYSA-N	-1	3	355.402	2.003	20	30		FEEDHM
COc1ccc2c(c1)C(=NNc1ccc(-c3nnn[n-]3)c(Cl)c1)C(=O)N2	ZINC000826211977	609474091	/nfs/dbraw/zinc/47/40/91/609474091.db2.gz	CCRNILMSCRYRFM-UHFFFAOYSA-N	-1	3	369.772	2.297	20	30		FEEDHM
COc1ccc2c(c1)C(=NNc1ccc(-c3nn[n-]n3)c(Cl)c1)C(=O)N2	ZINC000826211977	609474093	/nfs/dbraw/zinc/47/40/93/609474093.db2.gz	CCRNILMSCRYRFM-UHFFFAOYSA-N	-1	3	369.772	2.297	20	30		FEEDHM
C#CCCCCCC(=O)O[C@H](C(=O)OC)c1ccc(-c2nnn[n-]2)cc1	ZINC000823840777	609640987	/nfs/dbraw/zinc/64/09/87/609640987.db2.gz	FUDNJHSZNGYEOL-INIZCTEOSA-N	-1	3	356.382	2.208	20	30		FEEDHM
C#CCCCCCC(=O)O[C@H](C(=O)OC)c1ccc(-c2nn[n-]n2)cc1	ZINC000823840777	609640988	/nfs/dbraw/zinc/64/09/88/609640988.db2.gz	FUDNJHSZNGYEOL-INIZCTEOSA-N	-1	3	356.382	2.208	20	30		FEEDHM
C[S@@](=O)Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C#N)nc2)c1	ZINC000559846256	674558282	/nfs/dbraw/zinc/55/82/82/674558282.db2.gz	VRDWCQAZLIPCSA-JOCHJYFZSA-N	-1	3	369.855	2.286	20	30		FEEDHM
C#CCOc1cccc([N-]S(=O)(=O)CC2(C(=O)OC)CCCC2)c1	ZINC000811684206	674620637	/nfs/dbraw/zinc/62/06/37/674620637.db2.gz	AUHYBUFERFGWGU-UHFFFAOYSA-N	-1	3	351.424	2.174	20	30		FEEDHM
CC(C)COC(=O)N1CCC(=N[N-]S(=O)(=O)Cc2ccccc2)CC1	ZINC000814816009	674881644	/nfs/dbraw/zinc/88/16/44/674881644.db2.gz	HJUUUWXRSNEXLR-UHFFFAOYSA-N	-1	3	367.471	2.350	20	30		FEEDHM
Cc1ccoc1COC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000816100962	675012523	/nfs/dbraw/zinc/01/25/23/675012523.db2.gz	APENSJGFGNXSCZ-LBPRGKRZSA-N	-1	3	362.407	2.149	20	30		FEEDHM
CN1CCN(c2ccccc2[N-]S(=O)(=O)c2ccc(C#N)cc2)CC1	ZINC000007109511	669964015	/nfs/dbraw/zinc/96/40/15/669964015.db2.gz	KISBJCCQXAHPDS-UHFFFAOYSA-N	-1	3	356.451	2.111	20	30		FEEDHM
O=C(COc1cc(Cl)c(Cl)cc1Cl)N[C@H]1CCN([O-])C1=O	ZINC000816690254	675073349	/nfs/dbraw/zinc/07/33/49/675073349.db2.gz	MEUJZHSSYQTNIE-VIFPVBQESA-N	-1	3	353.589	2.132	20	30		FEEDHM
Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N[C@@H]1CCCN([O-])C1=O	ZINC000816755164	675077552	/nfs/dbraw/zinc/07/75/52/675077552.db2.gz	UTJNCOJPCYQJPR-CYBMUJFWSA-N	-1	3	362.817	2.003	20	30		FEEDHM
O=C(N[C@@H]1CCCN([O-])C1=O)c1cc2ccc(OC(F)(F)F)cc2[nH]1	ZINC000816758559	675077972	/nfs/dbraw/zinc/07/79/72/675077972.db2.gz	RVCYAADZYGTDBD-SNVBAGLBSA-N	-1	3	357.288	2.177	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(-c2cnn(C)c2Cl)no1	ZINC000817093002	675097208	/nfs/dbraw/zinc/09/72/08/675097208.db2.gz	POFVWVJESCWANM-UHFFFAOYSA-N	-1	3	358.789	2.498	20	30		FEEDHM
C#Cc1cccc(N(C)C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)c1	ZINC000103102102	670779564	/nfs/dbraw/zinc/77/95/64/670779564.db2.gz	HXNGVQCELIWKKT-UHFFFAOYSA-N	-1	3	368.867	2.324	20	30		FEEDHM
N#Cc1ccc(C(=O)C[N-]S(=O)(=O)Cc2ccc(F)cc2F)cc1	ZINC000572428981	671000676	/nfs/dbraw/zinc/00/06/76/671000676.db2.gz	VUWDANUIMBOIQS-UHFFFAOYSA-N	-1	3	350.346	2.139	20	30		FEEDHM
CCOC(=O)Nc1ccc([N-]S(=O)(=O)CCOCC2CC2)cc1C#N	ZINC000818049204	675193235	/nfs/dbraw/zinc/19/32/35/675193235.db2.gz	WPJNMTBGKIDXHD-UHFFFAOYSA-N	-1	3	367.427	2.295	20	30		FEEDHM
Cc1nc([C@@](C)([N-]S(=O)(=O)CC2(C#N)CCCCC2)C2CC2)no1	ZINC000580274278	671794241	/nfs/dbraw/zinc/79/42/41/671794241.db2.gz	CHUVHVGHABVGJM-HNNXBMFYSA-N	-1	3	352.460	2.397	20	30		FEEDHM
COC(=O)[C@@H]([N-]S(=O)(=O)Cc1ccc(C#N)cc1)C1CCCCC1	ZINC000584254058	672170081	/nfs/dbraw/zinc/17/00/81/672170081.db2.gz	ZNGUOOGPAIHFLL-INIZCTEOSA-N	-1	3	350.440	2.100	20	30		FEEDHM
C=CCCCCCNS(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1	ZINC000584540371	672197823	/nfs/dbraw/zinc/19/78/23/672197823.db2.gz	WNUZNEYSZXIBKW-UHFFFAOYSA-N	-1	3	364.464	2.222	20	30		FEEDHM
COC(=O)C[C@H]([N-]S(=O)(=O)CC1(C#N)CCCC1)c1cccs1	ZINC000612668307	676092663	/nfs/dbraw/zinc/09/26/63/676092663.db2.gz	BZEBZHOSRHQTNR-LBPRGKRZSA-N	-1	3	356.469	2.356	20	30		FEEDHM
C=CCCCS(=O)(=O)[N-][C@@H](Cc1ccncc1)C(=O)OC(C)(C)C	ZINC000594491793	673093715	/nfs/dbraw/zinc/09/37/15/673093715.db2.gz	RHZLNQZHPBYRQC-HNNXBMFYSA-N	-1	3	354.472	2.220	20	30		FEEDHM
C[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)c2ncnn21	ZINC000594810580	673150517	/nfs/dbraw/zinc/15/05/17/673150517.db2.gz	VOBIGHAOWVNHHH-KCJUWKMLSA-N	-1	3	371.344	2.153	20	30		FEEDHM
N#Cc1ccc(NCC[N-]S(=O)(=O)c2cc(F)ccc2Cl)nc1	ZINC000728581843	673204715	/nfs/dbraw/zinc/20/47/15/673204715.db2.gz	HPRZWBRYHCKIIA-UHFFFAOYSA-N	-1	3	354.794	2.136	20	30		FEEDHM
CCN(C[C@H](C)C#N)C(=O)COC(=O)c1cccc(Br)c1[O-]	ZINC000730364051	673278007	/nfs/dbraw/zinc/27/80/07/673278007.db2.gz	IHQHCZRMXBHMPD-SNVBAGLBSA-N	-1	3	369.215	2.320	20	30		FEEDHM
N#Cc1sccc1N1CCN(C(=O)NCc2ccc([O-])c(F)c2)CC1	ZINC000596354381	673379354	/nfs/dbraw/zinc/37/93/54/673379354.db2.gz	CIOBJZYQVPTMQJ-UHFFFAOYSA-N	-1	3	360.414	2.496	20	30		FEEDHM
CC[C@@H](OC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21)c1ccccc1	ZINC000733395132	673414541	/nfs/dbraw/zinc/41/45/41/673414541.db2.gz	VMJGYTHLELXOCK-OAHLLOKOSA-N	-1	3	358.419	2.420	20	30		FEEDHM
C=CCNC(=O)C[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1	ZINC000538526570	673444737	/nfs/dbraw/zinc/44/47/37/673444737.db2.gz	OFQTXFDUFRPISI-UHFFFAOYSA-N	-1	3	371.871	2.044	20	30		FEEDHM
Cc1c(N=Cc2ccc(O)c([O-])c2O)cccc1S(=O)(=O)NC1CC1	ZINC000740763176	673653475	/nfs/dbraw/zinc/65/34/75/673653475.db2.gz	ATJVLZXAEOKGRU-UHFFFAOYSA-N	-1	3	362.407	2.303	20	30		FEEDHM
CCCCN(C(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21)C1CC1	ZINC000742529280	673730054	/nfs/dbraw/zinc/73/00/54/673730054.db2.gz	VIGOFHSLOMVSNJ-ZDUSSCGKSA-N	-1	3	363.483	2.295	20	30		FEEDHM
C#CCCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br	ZINC000746671398	673889357	/nfs/dbraw/zinc/88/93/57/673889357.db2.gz	XGYOHHVZHYCMRR-UHFFFAOYSA-N	-1	3	361.217	2.439	20	30		FEEDHM
Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)N[C@H]1CCN([O-])C1=O	ZINC000820149935	675339860	/nfs/dbraw/zinc/33/98/60/675339860.db2.gz	UICIZWNDUPJZTC-ZDUSSCGKSA-N	-1	3	359.451	2.497	20	30		FEEDHM
CC[C@@H](Cc1cccc(Br)c1)C(=O)N[C@H]1CCN([O-])C1=O	ZINC000820157334	675340135	/nfs/dbraw/zinc/34/01/35/675340135.db2.gz	VYGHAIYMYDKMJJ-AAEUAGOBSA-N	-1	3	355.232	2.124	20	30		FEEDHM
C=CCCC(C)(C)NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1	ZINC000660142931	678293869	/nfs/dbraw/zinc/29/38/69/678293869.db2.gz	INTSQLCNBFSQRO-UHFFFAOYSA-N	-1	3	364.464	2.220	20	30		FEEDHM
CC(C)Oc1ccc([N-]S(=O)(=O)CC(=O)O[C@@H](C#N)C2CC2)cc1	ZINC000747784159	679903218	/nfs/dbraw/zinc/90/32/18/679903218.db2.gz	MAGJFUICOUSUOD-HNNXBMFYSA-N	-1	3	352.412	2.061	20	30		FEEDHM
CCCCCCCCc1nnc([N-]C(=O)c2nc3n(n2)CCCN3)s1	ZINC000748023639	679920608	/nfs/dbraw/zinc/92/06/08/679920608.db2.gz	BKEJHMQJSLRIGI-UHFFFAOYSA-N	-1	3	363.491	2.358	20	30		FEEDHM
C=CCC[C@@H](CO)[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1	ZINC000832597591	680154337	/nfs/dbraw/zinc/15/43/37/680154337.db2.gz	SZVLCTOGPJWSKS-QMMMGPOBSA-N	-1	3	369.668	2.103	20	30		FEEDHM
C=CC[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C)c1)c1ccncc1	ZINC000752416467	680241108	/nfs/dbraw/zinc/24/11/08/680241108.db2.gz	ZXKKHEKUYJYGPJ-OAHLLOKOSA-N	-1	3	363.414	2.176	20	30		FEEDHM
C[C@H](CC(=O)NCCC1=CCCC1)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000753299723	680284765	/nfs/dbraw/zinc/28/47/65/680284765.db2.gz	LHTVGSCGIYETAE-CYBMUJFWSA-N	-1	3	361.467	2.120	20	30		FEEDHM
COC[C@H](C)NC(=S)NN=C(C)c1ccc(Br)cc1[O-]	ZINC000756823854	680499875	/nfs/dbraw/zinc/49/98/75/680499875.db2.gz	PWCTWYJGHKMVFL-QMMMGPOBSA-N	-1	3	360.277	2.378	20	30		FEEDHM
O=C1CN(N=Cc2ccc(Br)c(Br)c2)C(=O)[N-]1	ZINC000757569308	680526063	/nfs/dbraw/zinc/52/60/63/680526063.db2.gz	PBTXVDXZRZNYCD-UHFFFAOYSA-N	-1	3	360.993	2.097	20	30		FEEDHM
CC(N=Nc1ccc(S(=O)(=O)NC2CC2)cn1)c1sccc1[O-]	ZINC000769782279	680994870	/nfs/dbraw/zinc/99/48/70/680994870.db2.gz	XKWYXNRAFMTWCC-UHFFFAOYSA-N	-1	3	352.441	2.126	20	30		FEEDHM
C=CCCCCNC(=O)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F	ZINC000771554945	681059398	/nfs/dbraw/zinc/05/93/98/681059398.db2.gz	ADCNFSYWTXRCJP-UHFFFAOYSA-N	-1	3	358.410	2.492	20	30		FEEDHM
C#C[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Br)[C@@H]1CCCO1	ZINC000773052097	681122560	/nfs/dbraw/zinc/12/25/60/681122560.db2.gz	OUPXBAODPZYUIK-NEPJUHHUSA-N	-1	3	362.220	2.047	20	30		FEEDHM
CC(C)(CCOC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21)C1CC1	ZINC000845885643	681159503	/nfs/dbraw/zinc/15/95/03/681159503.db2.gz	RWHJOCKCZHNLMI-UHFFFAOYSA-N	-1	3	350.440	2.095	20	30		FEEDHM
C[C@]1(CC[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C[C@]1(F)Cl	ZINC000845984291	681169840	/nfs/dbraw/zinc/16/98/40/681169840.db2.gz	WJWRMYJAOSBDNN-QWHCGFSZSA-N	-1	3	361.782	2.449	20	30		FEEDHM
CC(=NNCC(C)(C)S(C)(=O)=O)c1ccc(Br)cc1[O-]	ZINC000774483132	681194156	/nfs/dbraw/zinc/19/41/56/681194156.db2.gz	NCQHORZCDGPCFH-UHFFFAOYSA-N	-1	3	363.277	2.292	20	30		FEEDHM
C=C[C@@H](C)O[N-]C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000846544783	681258175	/nfs/dbraw/zinc/25/81/75/681258175.db2.gz	YWZHVHZRYBLFQJ-CQSZACIVSA-N	-1	3	352.456	2.026	20	30		FEEDHM
N#CC1(COC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)CC1	ZINC000775845182	681341465	/nfs/dbraw/zinc/34/14/65/681341465.db2.gz	DOOPQFJTFKJCCR-UHFFFAOYSA-N	-1	3	363.370	2.415	20	30		FEEDHM
COCCO[C@@H]1COCC[C@H]1/N=C/c1cc(Br)ccc1[O-]	ZINC000776720983	681430025	/nfs/dbraw/zinc/43/00/25/681430025.db2.gz	BHBRXWKMLNQRAM-CUUNBHRASA-N	-1	3	358.232	2.394	20	30		FEEDHM
C[C@](NC(=O)N[C@@H]1CCCN([O-])C1=O)(c1ccc(F)cc1)C(F)(F)F	ZINC000933551479	681431459	/nfs/dbraw/zinc/43/14/59/681431459.db2.gz	XYLBSMWHJUFLIA-RISCZKNCSA-N	-1	3	363.311	2.283	20	30		FEEDHM
O=C(N[C@@H]1CCCN([O-])C1=O)c1ccc(Br)c(Cl)c1F	ZINC000848134858	681478140	/nfs/dbraw/zinc/47/81/40/681478140.db2.gz	ZVXBWZYNSHPSHW-MRVPVSSYSA-N	-1	3	365.586	2.352	20	30		FEEDHM
O=C(CCSc1nc2ccccc2s1)N[C@H]1CCCN([O-])C1=O	ZINC000848138924	681478608	/nfs/dbraw/zinc/47/86/08/681478608.db2.gz	VNZKELVVAFGMBF-NSHDSACASA-N	-1	3	351.453	2.275	20	30		FEEDHM
C=CCCCCCNC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000848293232	681509748	/nfs/dbraw/zinc/50/97/48/681509748.db2.gz	CHVXTKXARYJYCF-AWEZNQCLSA-N	-1	3	363.483	2.366	20	30		FEEDHM
CC[C@H]1C[C@H](C=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CCO1	ZINC000779771147	681751704	/nfs/dbraw/zinc/75/17/04/681751704.db2.gz	JRTPGLVJHSVGIG-HIFRSBDPSA-N	-1	3	355.416	2.205	20	30		FEEDHM
Cc1nc(C)c(C([O-])=C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)s1	ZINC000916963274	685528742	/nfs/dbraw/zinc/52/87/42/685528742.db2.gz	QDVYRQSIBKNSCZ-GFCCVEGCSA-N	-1	3	357.391	2.492	20	30		FEEDHM
C[N-]S(=O)(=O)c1cc(C(=O)OCc2ccc(CC#N)cc2)ccc1F	ZINC000785361050	682290326	/nfs/dbraw/zinc/29/03/26/682290326.db2.gz	DUOZZYGDQCQJKI-UHFFFAOYSA-N	-1	3	362.382	2.157	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)c2nc(C)cs2)ccc1F	ZINC000918635390	685540687	/nfs/dbraw/zinc/54/06/87/685540687.db2.gz	AXEOTHZOPKZBJS-UHFFFAOYSA-N	-1	3	369.443	2.332	20	30		FEEDHM
Cc1ncc(CO)c(C=Nc2ccc(Cl)c(S(C)(=O)=O)c2)c1[O-]	ZINC000788284926	682517140	/nfs/dbraw/zinc/51/71/40/682517140.db2.gz	MOVCLXWHXJSTBG-UHFFFAOYSA-N	-1	3	354.815	2.395	20	30		FEEDHM
O=C(N[C@H]1CCCN([O-])C1=O)c1cc2cc(Br)sc2[nH]1	ZINC000854649016	682575086	/nfs/dbraw/zinc/57/50/86/682575086.db2.gz	OKASIXKIAUFRMB-ZETCQYMHSA-N	-1	3	358.217	2.102	20	30		FEEDHM
CC(C)C[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OCC1(F)CC1	ZINC000789583194	682619570	/nfs/dbraw/zinc/61/95/70/682619570.db2.gz	VTAPETCIAALELA-CYBMUJFWSA-N	-1	3	368.430	2.185	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)NCC[C@H]2CC2(F)F)ccc1F	ZINC000857683212	682903939	/nfs/dbraw/zinc/90/39/39/682903939.db2.gz	BKKGYNIKEBQNNM-NSHDSACASA-N	-1	3	362.373	2.065	20	30		FEEDHM
COC(=O)C[C@H]1CCC(=N[N-]S(=O)(=O)CCc2ccccc2)[C@H]1C	ZINC000794516798	682974709	/nfs/dbraw/zinc/97/47/09/682974709.db2.gz	WNZWHUDIZGMINE-DZGCQCFKSA-N	-1	3	352.456	2.114	20	30		FEEDHM
C[C@@H]1COC(=O)C1=NNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1	ZINC000794902356	683002185	/nfs/dbraw/zinc/00/21/85/683002185.db2.gz	ONUALNKOEZGLQV-GFCCVEGCSA-N	-1	3	359.407	2.448	20	30		FEEDHM
CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]Cc2cccc(C#N)c2)c1	ZINC000795293214	683036059	/nfs/dbraw/zinc/03/60/59/683036059.db2.gz	HNPBWVRKGNYRLE-UHFFFAOYSA-N	-1	3	362.382	2.353	20	30		FEEDHM
C#CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(C(=O)OC)cs1	ZINC000796095838	683126679	/nfs/dbraw/zinc/12/66/79/683126679.db2.gz	IQPGJYMUVXDZII-HNNXBMFYSA-N	-1	3	363.460	2.448	20	30		FEEDHM
C[C@H](CC(=O)NC[C@@H]1CCC[C@H]1C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000799061077	683418738	/nfs/dbraw/zinc/41/87/38/683418738.db2.gz	KGFLBZYXCYEJKI-MCIONIFRSA-N	-1	3	363.483	2.056	20	30		FEEDHM
CC[C@@H](C(=O)N[C@H]1CCCN([O-])C1=O)c1ccc(Br)cc1	ZINC000861827717	683481406	/nfs/dbraw/zinc/48/14/06/683481406.db2.gz	LLUUQPOAFLVOOJ-OLZOCXBDSA-N	-1	3	355.232	2.439	20	30		FEEDHM
O=C(Nc1ncc(Cc2cccc(F)c2)s1)N[C@H]1CCCN([O-])C1=O	ZINC000866107633	684072706	/nfs/dbraw/zinc/07/27/06/684072706.db2.gz	ANGACDFDLORPRL-ZDUSSCGKSA-N	-1	3	364.402	2.375	20	30		FEEDHM
C#CCN1CCC[C@@H](NC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)C1	ZINC000923598818	684311553	/nfs/dbraw/zinc/31/15/53/684311553.db2.gz	XRGFNINNCRSURW-GFCCVEGCSA-N	-1	3	364.471	2.318	20	30		FEEDHM
CN(C(=O)COC(=O)c1cccc2[n-]c(C(F)F)nc21)C(C)(C)C#N	ZINC000924084208	684401789	/nfs/dbraw/zinc/40/17/89/684401789.db2.gz	PWYQVVPXQSZOAS-UHFFFAOYSA-N	-1	3	350.325	2.418	20	30		FEEDHM
C#C[C@@H](C)NC(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21	ZINC000868514676	684504332	/nfs/dbraw/zinc/50/43/32/684504332.db2.gz	QQNKBFTWYZRJKL-NEPJUHHUSA-N	-1	3	353.344	2.390	20	30		FEEDHM
O=C(Cc1ccc(Br)cc1Cl)N[C@H]1CCCN([O-])C1=O	ZINC000868562587	684511787	/nfs/dbraw/zinc/51/17/87/684511787.db2.gz	INZWPOBMWRCXRZ-NSHDSACASA-N	-1	3	361.623	2.141	20	30		FEEDHM
C=C[C@@](C)(O)C(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21	ZINC000871318231	684805126	/nfs/dbraw/zinc/80/51/26/684805126.db2.gz	XGCSKWZMFZSNOZ-MEDUHNTESA-N	-1	3	356.344	2.122	20	30		FEEDHM
Cc1ccc(NC(=O)N[C@@H]2CCCN([O-])C2=O)c(OCC(F)(F)F)c1	ZINC000878437578	686585071	/nfs/dbraw/zinc/58/50/71/686585071.db2.gz	PVIULAAILFGLIT-LLVKDONJSA-N	-1	3	361.320	2.438	20	30		FEEDHM
Cc1cc(NC(=O)N[C@H]2CCCN([O-])C2=O)nn1-c1ccccc1Cl	ZINC000879126882	686748005	/nfs/dbraw/zinc/74/80/05/686748005.db2.gz	NKYVSHRUOUENGL-LBPRGKRZSA-N	-1	3	363.805	2.336	20	30		FEEDHM
O=C(Nc1cc(F)cc(F)c1Br)N[C@H]1CCCN([O-])C1=O	ZINC000879328377	686796378	/nfs/dbraw/zinc/79/63/78/686796378.db2.gz	IYJQZPVGUDYWOR-QMMMGPOBSA-N	-1	3	364.146	2.229	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCCSC[C@@H]2C)ccc1F	ZINC000889912575	688849350	/nfs/dbraw/zinc/84/93/50/688849350.db2.gz	FZTSTIAELMGFAA-LBPRGKRZSA-N	-1	3	372.487	2.258	20	30		FEEDHM
O=C(CCCC[C@H]1SC[C@H]2NC(=O)N[C@H]12)N([O-])Cc1ccc(F)cc1	ZINC000904173263	691009747	/nfs/dbraw/zinc/00/97/47/691009747.db2.gz	IAFDIZSBWVFKQK-FMKPAKJESA-N	-1	3	367.446	2.269	20	30		FEEDHM
O=C(C1SCCCS1)N([O-])CCCN1C(=O)c2ccccc2C1=O	ZINC000904185992	691011075	/nfs/dbraw/zinc/01/10/75/691011075.db2.gz	NFMJXSVAYSQVDN-UHFFFAOYSA-N	-1	3	366.464	2.087	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]C[C@H](OC2CCCC2)C(F)(F)F)nc1	ZINC000907278815	691439371	/nfs/dbraw/zinc/43/93/71/691439371.db2.gz	KRZANJIQKBVPNR-LBPRGKRZSA-N	-1	3	363.361	2.122	20	30		FEEDHM
C=CCCCN(CC)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1	ZINC000908352538	691664881	/nfs/dbraw/zinc/66/48/81/691664881.db2.gz	ZTYAIOHGTQUIQC-UHFFFAOYSA-N	-1	3	364.464	2.174	20	30		FEEDHM
C=CCn1cccc1C([O-])=C(C#N)c1nc(N)nc(Nc2ccccc2)n1	ZINC000488196978	857290704	/nfs/dbraw/zinc/29/07/04/857290704.db2.gz	GCJACFPZXQWIQW-CQSZACIVSA-N	-1	3	359.393	2.097	20	30		FEEDHM
Cc1sc2ncn(CC(=O)Nc3nnc(C(F)(F)F)[n-]3)c(=O)c2c1C	ZINC000043996959	540116718	/nfs/dbraw/zinc/11/67/18/540116718.db2.gz	JIBYCGZEQIIUKY-UHFFFAOYSA-N	-1	3	372.332	2.500	20	30		FEEDHM
Cc1sc2ncn(CC(=O)Nc3nc(C(F)(F)F)n[n-]3)c(=O)c2c1C	ZINC000043996959	540116719	/nfs/dbraw/zinc/11/67/19/540116719.db2.gz	JIBYCGZEQIIUKY-UHFFFAOYSA-N	-1	3	372.332	2.500	20	30		FEEDHM
COc1cccc(CCNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1	ZINC000044612877	540133692	/nfs/dbraw/zinc/13/36/92/540133692.db2.gz	CYTPIJYWAOZXIJ-UHFFFAOYSA-N	-1	3	353.422	2.164	20	30		FEEDHM
COCCN(Cc1ccco1)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C	ZINC000045417290	540212969	/nfs/dbraw/zinc/21/29/69/540212969.db2.gz	QYVXYQFTOMRGAY-UHFFFAOYSA-N	-1	3	357.410	2.064	20	30		FEEDHM
C=C(C)CN(CC)C(=O)c1cc(C2CC2)nc2c1c(=O)[n-]c(=O)n2CCC	ZINC000046195438	540247595	/nfs/dbraw/zinc/24/75/95/540247595.db2.gz	VXVOCABCYFMKHW-UHFFFAOYSA-N	-1	3	370.453	2.410	20	30		FEEDHM
C=CCOCCCC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1	ZINC000080434314	542589635	/nfs/dbraw/zinc/58/96/35/542589635.db2.gz	JFWXPYLYKAYDSW-UHFFFAOYSA-N	-1	3	356.419	2.188	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2c(C)noc2CC)ccc1F	ZINC000089397972	542762453	/nfs/dbraw/zinc/76/24/53/542762453.db2.gz	JRZNZNNZLYIMPT-UHFFFAOYSA-N	-1	3	367.402	2.401	20	30		FEEDHM
C[C@@H]1CCC[C@@](C#N)(NC(=O)CC[N-]S(=O)(=O)c2ccccc2F)C1	ZINC000116812483	543617095	/nfs/dbraw/zinc/61/70/95/543617095.db2.gz	QHKKMIYHPUGYIM-CXAGYDPISA-N	-1	3	367.446	2.083	20	30		FEEDHM
Cn1c2ccccc2nc1C(C#N)=C([O-])c1ccc(S(C)(=O)=O)cc1	ZINC000122256596	543704812	/nfs/dbraw/zinc/70/48/12/543704812.db2.gz	GXFGNLWNRPSWMY-AWEZNQCLSA-N	-1	3	353.403	2.467	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@H](C)[C@@H](n2ccnc2)C1	ZINC000126139236	543920542	/nfs/dbraw/zinc/92/05/42/543920542.db2.gz	JEUBICOLXXBKCH-ACJLOTCBSA-N	-1	3	367.453	2.102	20	30		FEEDHM
COc1cccc2c1CC[C@H]2[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000126529488	543941616	/nfs/dbraw/zinc/94/16/16/543941616.db2.gz	DEEPLNPLTCLHMR-CQSZACIVSA-N	-1	3	373.390	2.441	20	30		FEEDHM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1CCOC2(CCCC2)C1	ZINC000127564508	544000914	/nfs/dbraw/zinc/00/09/14/544000914.db2.gz	FWRVOENESDKRHX-GFCCVEGCSA-N	-1	3	365.411	2.237	20	30		FEEDHM
CC(C)(C)CNC(=O)C(C)(C)[N-]S(=O)(=O)c1cccc(Cl)c1C#N	ZINC000128717695	544068946	/nfs/dbraw/zinc/06/89/46/544068946.db2.gz	IMXUEGUQCXDJKU-UHFFFAOYSA-N	-1	3	371.890	2.431	20	30		FEEDHM
CCO[C@H]1C[C@H](NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C12CCC2	ZINC000152369768	544644724	/nfs/dbraw/zinc/64/47/24/544644724.db2.gz	IVFKOSOBBMFCKD-IRXDYDNUSA-N	-1	3	357.454	2.260	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCN(c3ccccn3)C2)c(Cl)c1	ZINC000180202588	327676159	/nfs/dbraw/zinc/67/61/59/327676159.db2.gz	CHZXGTATTIQIPS-CYBMUJFWSA-N	-1	3	362.842	2.164	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]CCc2cn3ccccc3n2)c(Cl)c1	ZINC000183453548	327819012	/nfs/dbraw/zinc/81/90/12/327819012.db2.gz	GPHMVVPPWNHHJX-UHFFFAOYSA-N	-1	3	360.826	2.380	20	30		FEEDHM
COc1cc(OC)cc(N(C)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1	ZINC000190085961	328187080	/nfs/dbraw/zinc/18/70/80/328187080.db2.gz	CIOWFWWBOLSRCP-UHFFFAOYSA-N	-1	3	369.421	2.476	20	30		FEEDHM
Cn1ccnc1[C@@H]([N-]S(=O)(=O)c1ccccc1C#N)c1cccc(F)c1	ZINC000017521966	324389138	/nfs/dbraw/zinc/38/91/38/324389138.db2.gz	VYGFTDWVIRIKER-KRWDZBQOSA-N	-1	3	370.409	2.499	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-]CCc1ccc(Br)s1	ZINC000232454146	328488063	/nfs/dbraw/zinc/48/80/63/328488063.db2.gz	CYVYXBQEBSYOQI-UHFFFAOYSA-N	-1	3	372.269	2.298	20	30		FEEDHM
C[C@H](O)C[C@H](C)C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000120826194	326291177	/nfs/dbraw/zinc/29/11/77/326291177.db2.gz	XYMJDBYBIFSTFL-UWVGGRQHSA-N	-1	3	350.362	2.262	20	30		FEEDHM
N#Cc1cc(F)ccc1S(=O)(=O)[N-]CCc1ccc(-n2cccn2)cc1	ZINC000156312047	326826035	/nfs/dbraw/zinc/82/60/35/326826035.db2.gz	BWQOWHVSTITEMD-UHFFFAOYSA-N	-1	3	370.409	2.404	20	30		FEEDHM
N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]C1CCC2(CC1)OCCO2	ZINC000156569385	326836210	/nfs/dbraw/zinc/83/62/10/326836210.db2.gz	FRCSPJKZTLMGCW-UHFFFAOYSA-N	-1	3	356.831	2.176	20	30		FEEDHM
COc1ccc(C#N)cc1CN1CCN(C(=O)c2ccc([O-])cc2)CC1	ZINC000157534938	326868159	/nfs/dbraw/zinc/86/81/59/326868159.db2.gz	UMYILINBJHKSTB-UHFFFAOYSA-N	-1	3	351.406	2.230	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc2c(c1)N(C)CCO2	ZINC000173950296	327297011	/nfs/dbraw/zinc/29/70/11/327297011.db2.gz	BJLZREUGVBRKIZ-UHFFFAOYSA-N	-1	3	366.421	2.263	20	30		FEEDHM
Cc1cccc(C)c1NC(=O)C[N-]S(=O)(=O)c1ccc(F)cc1C#N	ZINC000156136250	545602077	/nfs/dbraw/zinc/60/20/77/545602077.db2.gz	NNLLGLXWRZRUGA-UHFFFAOYSA-N	-1	3	361.398	2.231	20	30		FEEDHM
COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H](C#N)C1CCCCC1	ZINC000161153531	546105085	/nfs/dbraw/zinc/10/50/85/546105085.db2.gz	IULKUPUTYCNKQX-CYBMUJFWSA-N	-1	3	354.403	2.363	20	30		FEEDHM
N#Cc1cc(F)ccc1S(=O)(=O)[N-]CCc1cc(-c2ccncc2)n[nH]1	ZINC000479319970	561187275	/nfs/dbraw/zinc/18/72/75/561187275.db2.gz	OIPLLMYHHKRXKH-UHFFFAOYSA-N	-1	3	371.397	2.003	20	30		FEEDHM
COc1ccc(OCC[N-]S(=O)(=O)c2ccc(F)cc2C#N)cc1	ZINC000178500639	546803957	/nfs/dbraw/zinc/80/39/57/546803957.db2.gz	VRLDQIXBJXBSLV-UHFFFAOYSA-N	-1	3	350.371	2.063	20	30		FEEDHM
C=CCOc1cc(OC)ccc1C(=O)NCc1nnc(C(F)(F)F)[n-]1	ZINC000481934730	561245675	/nfs/dbraw/zinc/24/56/75/561245675.db2.gz	KLBCUBDZBAGUEZ-UHFFFAOYSA-N	-1	3	356.304	2.327	20	30		FEEDHM
C=CCOc1cc(OC)ccc1C(=O)NCc1n[n-]c(C(F)(F)F)n1	ZINC000481934730	561245676	/nfs/dbraw/zinc/24/56/76/561245676.db2.gz	KLBCUBDZBAGUEZ-UHFFFAOYSA-N	-1	3	356.304	2.327	20	30		FEEDHM
C=CCOc1cc(OC)ccc1C(=O)NCc1nc(C(F)(F)F)n[n-]1	ZINC000481934730	561245677	/nfs/dbraw/zinc/24/56/77/561245677.db2.gz	KLBCUBDZBAGUEZ-UHFFFAOYSA-N	-1	3	356.304	2.327	20	30		FEEDHM
Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(CN2CCOCC2)cc1	ZINC000180156833	547059514	/nfs/dbraw/zinc/05/95/14/547059514.db2.gz	BQEGDETXVUYQRY-UHFFFAOYSA-N	-1	3	371.462	2.500	20	30		FEEDHM
Cn1cc([C@H]([N-]S(=O)(=O)c2ccccc2C#N)c2ccc(F)cc2)cn1	ZINC000186493786	548143631	/nfs/dbraw/zinc/14/36/31/548143631.db2.gz	HHMVICBGLUJYHA-GOSISDBHSA-N	-1	3	370.409	2.499	20	30		FEEDHM
CC(C)[C@](C)(C#N)[N-]C(=O)C(F)(F)c1ccc(OCC(=O)N(C)C)cc1	ZINC000186611963	548159074	/nfs/dbraw/zinc/15/90/74/548159074.db2.gz	NCJPXZGTRCRFAT-KRWDZBQOSA-N	-1	3	367.396	2.300	20	30		FEEDHM
CC(C)(C)OCc1cc(C[N-]S(=O)(=O)CC2(C#N)CCCC2)no1	ZINC000485949830	561333206	/nfs/dbraw/zinc/33/32/06/561333206.db2.gz	IDNVNJJMOLIGIM-UHFFFAOYSA-N	-1	3	355.460	2.493	20	30		FEEDHM
Cc1nc(N2CCC([N-]S(=O)(=O)c3cccs3)CC2)ccc1C#N	ZINC000487903198	561378448	/nfs/dbraw/zinc/37/84/48/561378448.db2.gz	BCZASPZFWTZIBJ-UHFFFAOYSA-N	-1	3	362.480	2.271	20	30		FEEDHM
CC(C)c1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1ccc(C#N)c(F)c1	ZINC000489582098	561414824	/nfs/dbraw/zinc/41/48/24/561414824.db2.gz	UROZZAMEGKSUBY-AWEZNQCLSA-N	-1	3	363.418	2.226	20	30		FEEDHM
Cc1ncc(CO)c(/C=N/c2ccc(CS(C)(=O)=O)c(F)c2)c1[O-]	ZINC000268482073	550073375	/nfs/dbraw/zinc/07/33/75/550073375.db2.gz	YWPOZAGIMKMJNK-FBCYGCLPSA-N	-1	3	352.387	2.022	20	30		FEEDHM
COC(=O)c1ccc(S(=O)(=O)[N-]C2(c3cccc(C#N)c3)CC2)s1	ZINC000269706837	550219192	/nfs/dbraw/zinc/21/91/92/550219192.db2.gz	NDCLYOLWJFPLEV-UHFFFAOYSA-N	-1	3	362.432	2.374	20	30		FEEDHM
Cc1ncc(CO)c(/C=N/CCOc2cccc(C(F)(F)F)n2)c1[O-]	ZINC000270385271	550267582	/nfs/dbraw/zinc/26/75/82/550267582.db2.gz	AFZXUOGKWGBCJS-DNTJNYDQSA-N	-1	3	355.316	2.500	20	30		FEEDHM
C=C(C)[C@H](Cc1nc(-c2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)no1)OCC	ZINC000273737099	550509830	/nfs/dbraw/zinc/50/98/30/550509830.db2.gz	BJPYZHYGTREIHF-LIRRHRJNSA-N	-1	3	370.409	2.315	20	30		FEEDHM
CC[C@@H](CC#N)NC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1	ZINC000274667378	550548584	/nfs/dbraw/zinc/54/85/84/550548584.db2.gz	RHCKDLXQFYKPMC-NSHDSACASA-N	-1	3	354.432	2.271	20	30		FEEDHM
C[C@@H]1CCC[C@@](C#N)([N-]S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)C1	ZINC000274760055	550552664	/nfs/dbraw/zinc/55/26/64/550552664.db2.gz	QRNKQVPSBAARME-PIGZYNQJSA-N	-1	3	365.430	2.461	20	30		FEEDHM
CC1(C[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)OCCCO1	ZINC000276805542	550598166	/nfs/dbraw/zinc/59/81/66/550598166.db2.gz	GVQQZKUJUJTSAG-UHFFFAOYSA-N	-1	3	364.345	2.008	20	30		FEEDHM
CC(C)(C)OC(=O)C1CCC([N-]S(=O)(=O)c2cccnc2C#N)CC1	ZINC000276941998	550613546	/nfs/dbraw/zinc/61/35/46/550613546.db2.gz	ARVJCVJXNUAYLF-UHFFFAOYSA-N	-1	3	365.455	2.132	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)c1ccc(C#N)nc1)c1nc(C(F)(F)F)cs1	ZINC000278405764	550782272	/nfs/dbraw/zinc/78/22/72/550782272.db2.gz	OLXORZLTZILDBN-ZETCQYMHSA-N	-1	3	362.358	2.468	20	30		FEEDHM
O=C([N-]CC(F)(F)F)C(=O)N[C@H](c1c(F)cccc1F)C(F)(F)F	ZINC000278535517	550796716	/nfs/dbraw/zinc/79/67/16/550796716.db2.gz	ZLKYJDIFIGOYPI-MRVPVSSYSA-N	-1	3	364.192	2.363	20	30		FEEDHM
CCOC(=O)c1nnc(C2CCN(C(=O)c3ccc(CC#N)cc3)CC2)[n-]1	ZINC000278699731	550812555	/nfs/dbraw/zinc/81/25/55/550812555.db2.gz	JMMBEPHWVRMBEM-UHFFFAOYSA-N	-1	3	367.409	2.067	20	30		FEEDHM
CCOC(=O)c1nc(C2CCN(C(=O)c3ccc(CC#N)cc3)CC2)n[n-]1	ZINC000278699731	550812557	/nfs/dbraw/zinc/81/25/57/550812557.db2.gz	JMMBEPHWVRMBEM-UHFFFAOYSA-N	-1	3	367.409	2.067	20	30		FEEDHM
Cc1ccc(C#N)cc1S(=O)(=O)[N-][C@@H](c1cnn(C)c1)C(F)(F)F	ZINC000278835943	550827453	/nfs/dbraw/zinc/82/74/53/550827453.db2.gz	JGKXRYHYUYMYRQ-ZDUSSCGKSA-N	-1	3	358.345	2.182	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@@H](C)OC2(CCOCC2)C1	ZINC000279108355	550854993	/nfs/dbraw/zinc/85/49/93/550854993.db2.gz	DQMXVJPOGKHMRP-CYBMUJFWSA-N	-1	3	373.453	2.005	20	30		FEEDHM
C=C[C@@](C)(O)CC(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O	ZINC000279470147	550893722	/nfs/dbraw/zinc/89/37/22/550893722.db2.gz	PRFAUYBEFYOLKS-CYBMUJFWSA-N	-1	3	366.361	2.343	20	30		FEEDHM
C=C(C)[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1	ZINC000280499260	551000655	/nfs/dbraw/zinc/00/06/55/551000655.db2.gz	BWDNGDBCCVRRED-HZMBPMFUSA-N	-1	3	374.390	2.002	20	30		FEEDHM
C=C(C)[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)OC	ZINC000280734124	551026263	/nfs/dbraw/zinc/02/62/63/551026263.db2.gz	KFRRCDZBDODXGM-NHYWBVRUSA-N	-1	3	373.858	2.386	20	30		FEEDHM
Cn1cc2c(n1)CCC[C@@H]2[N-]S(=O)(=O)c1cc(C#N)ccc1Cl	ZINC000282446773	551230347	/nfs/dbraw/zinc/23/03/47/551230347.db2.gz	GZDWEHMFIOGTGS-AWEZNQCLSA-N	-1	3	350.831	2.301	20	30		FEEDHM
C[C@@H](C#N)CN(C)S(=O)(=O)[N-][C@H](c1nccs1)c1ccccc1	ZINC000282761277	551267529	/nfs/dbraw/zinc/26/75/29/551267529.db2.gz	VHWFKFAREHCKEY-JSGCOSHPSA-N	-1	3	350.469	2.158	20	30		FEEDHM
N#C[C@H](NC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-])C1CCCCC1	ZINC000283211748	551329720	/nfs/dbraw/zinc/32/97/20/551329720.db2.gz	AEYLGLQMKRPXIA-HNNXBMFYSA-N	-1	3	370.384	2.076	20	30		FEEDHM
N#C[C@H](NC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O)C1CCCCC1	ZINC000283211748	551329722	/nfs/dbraw/zinc/32/97/22/551329722.db2.gz	AEYLGLQMKRPXIA-HNNXBMFYSA-N	-1	3	370.384	2.076	20	30		FEEDHM
CCCOc1ccc(/C=N/c2cccc(C(=O)NCC(=O)NC)c2)c([O-])c1	ZINC000283929939	551452300	/nfs/dbraw/zinc/45/23/00/551452300.db2.gz	VQEHVGKYUKCRKO-WSDLNYQXSA-N	-1	3	369.421	2.407	20	30		FEEDHM
CC(=O)Nc1ncc(S(=O)(=O)[N-][C@@H](CCC#N)c2ccccc2)s1	ZINC000287647964	552030081	/nfs/dbraw/zinc/03/00/81/552030081.db2.gz	CEWCBGRWKXWFLL-ZDUSSCGKSA-N	-1	3	364.452	2.425	20	30		FEEDHM
O=c1nc([C@H]2CCCN(CC#Cc3ccc(C(F)(F)F)cc3)C2)[nH][n-]1	ZINC000289366431	552308217	/nfs/dbraw/zinc/30/82/17/552308217.db2.gz	HXGITPHGSSYZLJ-ZDUSSCGKSA-N	-1	3	350.344	2.348	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1COc2ccc(F)cc2C1	ZINC000290712762	552524642	/nfs/dbraw/zinc/52/46/42/552524642.db2.gz	RGRLJMHCQBZALR-OAHLLOKOSA-N	-1	3	369.396	2.467	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc2c1OCC(=O)N2	ZINC000291543598	552635960	/nfs/dbraw/zinc/63/59/60/552635960.db2.gz	XXHCPSRWPJPXRA-UHFFFAOYSA-N	-1	3	366.377	2.178	20	30		FEEDHM
C=CCN(CCC#N)C(=O)c1cc(C(C)C)nc2c1c(=O)[n-]c(=O)n2CC	ZINC000293690675	552847518	/nfs/dbraw/zinc/84/75/18/552847518.db2.gz	HUMIKMYSHPIKKK-UHFFFAOYSA-N	-1	3	369.425	2.182	20	30		FEEDHM
CC(C)(CO)CC[N-]S(=O)(=O)c1cccc(Br)c1C#N	ZINC000295186138	552967918	/nfs/dbraw/zinc/96/79/18/552967918.db2.gz	CLULAPXRFWYRCY-UHFFFAOYSA-N	-1	3	361.261	2.008	20	30		FEEDHM
Cc1nsc(NC(=O)N2CCN(C(=O)c3cccc([O-])c3)CC2)c1C#N	ZINC000297326411	553278677	/nfs/dbraw/zinc/27/86/77/553278677.db2.gz	DACGTIWUQHMZSS-UHFFFAOYSA-N	-1	3	371.422	2.019	20	30		FEEDHM
CC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)[C@@H](O)C(F)(F)F	ZINC000503774998	561648173	/nfs/dbraw/zinc/64/81/73/561648173.db2.gz	PLZPTTQPIFAAFE-MWLCHTKSSA-N	-1	3	356.753	2.192	20	30		FEEDHM
N#Cc1ccc(N2CCC[C@H]([N-]S(=O)(=O)c3ccccc3F)C2=O)cc1	ZINC000503855458	561649092	/nfs/dbraw/zinc/64/90/92/561649092.db2.gz	DACCWGRAZMHSMQ-INIZCTEOSA-N	-1	3	373.409	2.171	20	30		FEEDHM
N#Cc1ccccc1N1CCN(C(=O)c2cc(=O)c3ccccc3[n-]2)CC1	ZINC000505670813	561677111	/nfs/dbraw/zinc/67/71/11/561677111.db2.gz	GBWOOUKMSXJVAF-UHFFFAOYSA-N	-1	3	358.401	2.362	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cnccc1-n1cccn1	ZINC000505888231	561684151	/nfs/dbraw/zinc/68/41/51/561684151.db2.gz	NMPLWPFZNVTHBP-UHFFFAOYSA-N	-1	3	362.393	2.428	20	30		FEEDHM
Cc1ccc2nc(NC(=O)CN3CCN4C(=O)[N-]C(=O)[C@@H]4C3)sc2c1	ZINC000329436302	553946449	/nfs/dbraw/zinc/94/64/49/553946449.db2.gz	LWRGGNDKTUOLHX-NSHDSACASA-N	-1	3	359.411	2.269	20	30		FEEDHM
C[C@@H](NC(=O)C[C@@H]1NC(=O)[N-]C1=O)C1CCN(CC(F)(F)F)CC1	ZINC000329921175	554032551	/nfs/dbraw/zinc/03/25/51/554032551.db2.gz	HLRNIFZPWIQHST-SCZZXKLOSA-N	-1	3	350.341	2.249	20	30		FEEDHM
CCO[C@@H]1C[C@H]([N-]S(=O)(=O)CC2(C#N)CCCCC2)[C@]12CCCO2	ZINC000330034850	554052536	/nfs/dbraw/zinc/05/25/36/554052536.db2.gz	WUORWEAHAFPYQD-ZMSDIMECSA-N	-1	3	356.488	2.106	20	30		FEEDHM
CC(=O)N[C@@H]1CCCN(C(=O)c2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)C1	ZINC000330206070	554084983	/nfs/dbraw/zinc/08/49/83/554084983.db2.gz	CYPASBPSJXVEAX-RDTXWAMCSA-N	-1	3	358.398	2.367	20	30		FEEDHM
N#C[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br	ZINC000331343623	554248777	/nfs/dbraw/zinc/24/87/77/554248777.db2.gz	PAPDMHCFQATINZ-GZMMTYOYSA-N	-1	3	374.216	2.328	20	30		FEEDHM
N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCOC3(CCOCC3)C2)c1	ZINC000331399097	554257881	/nfs/dbraw/zinc/25/78/81/554257881.db2.gz	LHGOCIUYYVFFOA-CYBMUJFWSA-N	-1	3	370.858	2.218	20	30		FEEDHM
N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@@H]1CCCCC[C@H]1O	ZINC000332384672	554436315	/nfs/dbraw/zinc/43/63/15/554436315.db2.gz	YNARSUWORNJZSR-CHWSQXEVSA-N	-1	3	373.272	2.293	20	30		FEEDHM
Cc1nc([C@H](C)[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)n[nH]1	ZINC000511057334	561855009	/nfs/dbraw/zinc/85/50/09/561855009.db2.gz	JSJSTQJJGMLIGB-ZETCQYMHSA-N	-1	3	359.333	2.043	20	30		FEEDHM
CCOC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)Cc1cccc(C#N)c1	ZINC000511878047	561883842	/nfs/dbraw/zinc/88/38/42/561883842.db2.gz	WSWGYAHWIKZPQE-GOSISDBHSA-N	-1	3	372.446	2.152	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCc3c[nH]nc3C2)c(C(F)(F)F)c1	ZINC000366033438	555733066	/nfs/dbraw/zinc/73/30/66/555733066.db2.gz	QZCSDHBMHMKDJG-LLVKDONJSA-N	-1	3	370.356	2.136	20	30		FEEDHM
CSCC[C@@](C)(C#N)[N-]S(=O)(=O)c1cccnc1C(F)(F)F	ZINC000515909486	562025352	/nfs/dbraw/zinc/02/53/52/562025352.db2.gz	WANWMCVIFRLLEY-NSHDSACASA-N	-1	3	353.391	2.414	20	30		FEEDHM
Cc1ncc2c(n1)CC[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)C2	ZINC000371017542	557046652	/nfs/dbraw/zinc/04/66/52/557046652.db2.gz	KESTXPRXTFRYDL-GFCCVEGCSA-N	-1	3	362.842	2.146	20	30		FEEDHM
CS(=O)(=O)[N-]c1c[nH]nc1[C@@H]1CCCN(c2ccc(C#N)cc2F)C1	ZINC000373549997	557716333	/nfs/dbraw/zinc/71/63/33/557716333.db2.gz	GBCTZCXURYNWNN-GFCCVEGCSA-N	-1	3	363.418	2.176	20	30		FEEDHM
N#Cc1cccc(-n2ccc(C(=O)Nc3ccc(-c4nnn[n-]4)cc3)n2)c1	ZINC000373994760	557803787	/nfs/dbraw/zinc/80/37/87/557803787.db2.gz	HRWUBKPNJOTCAI-UHFFFAOYSA-N	-1	3	356.349	2.176	20	30		FEEDHM
N#Cc1cccc(-n2ccc(C(=O)Nc3ccc(-c4nn[n-]n4)cc3)n2)c1	ZINC000373994760	557803789	/nfs/dbraw/zinc/80/37/89/557803789.db2.gz	HRWUBKPNJOTCAI-UHFFFAOYSA-N	-1	3	356.349	2.176	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]Cc2cnc3n2CCCC3)c(Cl)c1	ZINC000375107077	557978949	/nfs/dbraw/zinc/97/89/49/557978949.db2.gz	WZMJVCVVEGFRJZ-UHFFFAOYSA-N	-1	3	350.831	2.223	20	30		FEEDHM
Cc1nn(-c2ccc(F)cc2)cc1C[N-]S(=O)(=O)c1ccc(C#N)o1	ZINC000376276092	558150931	/nfs/dbraw/zinc/15/09/31/558150931.db2.gz	UAAVWPDQYJBDPR-UHFFFAOYSA-N	-1	3	360.370	2.263	20	30		FEEDHM
CC(C)(C#N)CCS(=O)(=O)[N-][C@H]1CCCN(c2ccccc2F)C1=O	ZINC000377841224	558432873	/nfs/dbraw/zinc/43/28/73/558432873.db2.gz	ZWRMAJTZZXKSOP-AWEZNQCLSA-N	-1	3	367.446	2.180	20	30		FEEDHM
COc1ccc(C[N-]S(=O)(=O)c2ccc(C#N)cc2F)cc1[N+](=O)[O-]	ZINC000523572229	562215439	/nfs/dbraw/zinc/21/54/39/562215439.db2.gz	RDNCHEZOICIPMK-UHFFFAOYSA-N	-1	3	365.342	2.093	20	30		FEEDHM
C[C@]1(c2ccc(CNc3nc4c(cc3C#N)CCC4)cc2)NC(=O)[N-]C1=O	ZINC000523579318	562215480	/nfs/dbraw/zinc/21/54/80/562215480.db2.gz	WVPROONVVPAUCM-HXUWFJFHSA-N	-1	3	361.405	2.109	20	30		FEEDHM
CC(C)[C@H](CN(C)Cc1ccccc1)[N-]S(=O)(=O)c1cccnc1C#N	ZINC000398113048	558626137	/nfs/dbraw/zinc/62/61/37/558626137.db2.gz	ZDLJSZFOWSQJOL-SFHVURJKSA-N	-1	3	372.494	2.388	20	30		FEEDHM
CCOC(=O)[C@H](CCC(C)(C)C)[N-]S(=O)(=O)N(CC)C[C@H](C)C#N	ZINC000409494333	558697126	/nfs/dbraw/zinc/69/71/26/558697126.db2.gz	DIIAMPZTBZGEPH-KGLIPLIRSA-N	-1	3	361.508	2.060	20	30		FEEDHM
CC(C)(C)c1cc(C#N)c([N-]C(=O)c2ccnc(S(C)(=O)=O)n2)s1	ZINC000411006488	558831406	/nfs/dbraw/zinc/83/14/06/558831406.db2.gz	JKEFCNNMMKLKQM-UHFFFAOYSA-N	-1	3	364.452	2.363	20	30		FEEDHM
C[C@@]1(C[N-]S(=O)(=O)c2cc(Br)ccc2C#N)CCOC1	ZINC000416390922	559309526	/nfs/dbraw/zinc/30/95/26/559309526.db2.gz	PIMVSPACLSUWNO-ZDUSSCGKSA-N	-1	3	359.245	2.026	20	30		FEEDHM
CO[C@@H]1CCC[C@H]1C[N-]S(=O)(=O)c1cc(Br)ccc1C#N	ZINC000416459032	559314584	/nfs/dbraw/zinc/31/45/84/559314584.db2.gz	QVRCVBZRHKSLLT-WCQYABFASA-N	-1	3	373.272	2.414	20	30		FEEDHM
CCOC(C)(C)C[N-]S(=O)(=O)c1cc(Br)ccc1C#N	ZINC000416470345	559315530	/nfs/dbraw/zinc/31/55/30/559315530.db2.gz	GULIKGFCJRBUQK-UHFFFAOYSA-N	-1	3	361.261	2.414	20	30		FEEDHM
C[C@@H]1COCC[C@@H]1[N-]S(=O)(=O)c1cc(Br)ccc1C#N	ZINC000416471152	559315736	/nfs/dbraw/zinc/31/57/36/559315736.db2.gz	OTEJKVLPGVJNDR-SKDRFNHKSA-N	-1	3	359.245	2.024	20	30		FEEDHM
CC1(C)COC[C@H]1[N-]S(=O)(=O)c1cc(Br)ccc1C#N	ZINC000416493519	559317475	/nfs/dbraw/zinc/31/74/75/559317475.db2.gz	HJLMWLJVOPFYCD-GFCCVEGCSA-N	-1	3	359.245	2.024	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)c1ccn(C)n1	ZINC000416555296	559321603	/nfs/dbraw/zinc/32/16/03/559321603.db2.gz	DWEJPOWNFGNMAQ-VIFPVBQESA-N	-1	3	358.345	2.350	20	30		FEEDHM
COCC[C@H](C)C[N-]S(=O)(=O)c1cc(Br)ccc1C#N	ZINC000416591908	559323718	/nfs/dbraw/zinc/32/37/18/559323718.db2.gz	UVSXLVBOAYFDPK-JTQLQIEISA-N	-1	3	361.261	2.272	20	30		FEEDHM
C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Br)ccc2C#N)CS1	ZINC000416602897	559324495	/nfs/dbraw/zinc/32/44/95/559324495.db2.gz	XNTWTROULUQMOV-GZMMTYOYSA-N	-1	3	361.286	2.493	20	30		FEEDHM
CC(C)C[C@@H](CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)C(=O)[O-]	ZINC000424410478	559663613	/nfs/dbraw/zinc/66/36/13/559663613.db2.gz	KKZXNTVMNJVLOF-SFHVURJKSA-N	-1	3	374.485	2.378	20	30		FEEDHM
CN(C)CCOc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)cc1	ZINC000427314419	559753089	/nfs/dbraw/zinc/75/30/89/559753089.db2.gz	JXHPGIOUXKLUEC-UHFFFAOYSA-N	-1	3	363.414	2.439	20	30		FEEDHM
Cc1nn(-c2ccccc2)c(C)c1C[N-]S(=O)(=O)c1cccnc1C#N	ZINC000428263326	559772523	/nfs/dbraw/zinc/77/25/23/559772523.db2.gz	WERGGNOFPJKLKB-UHFFFAOYSA-N	-1	3	367.434	2.234	20	30		FEEDHM
CCOc1ccc([C@@H](C)[N-]S(=O)(=O)c2cccnc2C#N)cc1OC	ZINC000428269091	559772678	/nfs/dbraw/zinc/77/26/78/559772678.db2.gz	OOZUGBIFMJVQDZ-GFCCVEGCSA-N	-1	3	361.423	2.400	20	30		FEEDHM
CN(C)c1cc(C[N-]S(=O)(=O)c2cccnc2C#N)c2ccccc2n1	ZINC000428416617	559775126	/nfs/dbraw/zinc/77/51/26/559775126.db2.gz	GRTOQVIGVIJWTH-UHFFFAOYSA-N	-1	3	367.434	2.046	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)c1cccnc1C#N)c1ccc(-n2cccn2)cc1	ZINC000428419536	559775182	/nfs/dbraw/zinc/77/51/82/559775182.db2.gz	MTLRXERMPOUFFC-ZDUSSCGKSA-N	-1	3	353.407	2.178	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]Cc2cccnc2OCC(F)F)s1	ZINC000435438845	559923194	/nfs/dbraw/zinc/92/31/94/559923194.db2.gz	RVMRZYGNNUXGJY-UHFFFAOYSA-N	-1	3	359.379	2.137	20	30		FEEDHM
COC(=O)c1cccc(NC(=O)c2ccn(-c3cccc(C#N)c3)n2)c1[O-]	ZINC000436486804	559942930	/nfs/dbraw/zinc/94/29/30/559942930.db2.gz	JWHUFFKLYVMBAV-UHFFFAOYSA-N	-1	3	362.345	2.488	20	30		FEEDHM
C[C@@H](C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1cccc(C#N)c1	ZINC000436634423	559947415	/nfs/dbraw/zinc/94/74/15/559947415.db2.gz	KXBOURCOVYFVNX-OAHLLOKOSA-N	-1	3	363.417	2.352	20	30		FEEDHM
N#Cc1ccc(N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1[N+](=O)[O-]	ZINC000436948831	559957234	/nfs/dbraw/zinc/95/72/34/559957234.db2.gz	PMUXFYSMZPGGJK-UHFFFAOYSA-N	-1	3	352.350	2.134	20	30		FEEDHM
CC#CCCCC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F	ZINC000441413759	560031641	/nfs/dbraw/zinc/03/16/41/560031641.db2.gz	XVMNIXQDZDYNOZ-UHFFFAOYSA-N	-1	3	360.838	2.067	20	30		FEEDHM
C=CCN(CC=C)[C@H](CNC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1)C(C)C	ZINC000441867324	560040181	/nfs/dbraw/zinc/04/01/81/560040181.db2.gz	CVQUSYFTYODHIV-QGZVFWFLSA-N	-1	3	370.453	2.458	20	30		FEEDHM
N#Cc1ccccc1S(=O)(=O)[N-][C@@H](Cc1ccccc1)[C@H](O)C(F)F	ZINC000443218887	560074969	/nfs/dbraw/zinc/07/49/69/560074969.db2.gz	UPVKBGVMKSHYLG-HOCLYGCPSA-N	-1	3	366.389	2.074	20	30		FEEDHM
C[C@H](Cc1cccc(O)c1)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000443384925	560082791	/nfs/dbraw/zinc/08/27/91/560082791.db2.gz	LHTGDQSMIZCRIS-LLVKDONJSA-N	-1	3	361.379	2.082	20	30		FEEDHM
C[C@@H]1C[C@]1(C#N)C(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1	ZINC000448596083	560191953	/nfs/dbraw/zinc/19/19/53/560191953.db2.gz	KDMKAHNAOVUCIF-NOZJJQNGSA-N	-1	3	361.345	2.015	20	30		FEEDHM
CCOC(=O)c1sc([C@@H](C)[N-]S(=O)(=O)CC2(CC#N)CC2)nc1C	ZINC000451300625	560298790	/nfs/dbraw/zinc/29/87/90/560298790.db2.gz	AURFPXPZBQKONL-LLVKDONJSA-N	-1	3	371.484	2.303	20	30		FEEDHM
CCOC(=O)c1sc([C@H](C)[N-]S(=O)(=O)CC2(CC#N)CC2)nc1C	ZINC000451300627	560298851	/nfs/dbraw/zinc/29/88/51/560298851.db2.gz	AURFPXPZBQKONL-NSHDSACASA-N	-1	3	371.484	2.303	20	30		FEEDHM
CCOC(=O)C(CC)(CC)[N-]S(=O)(=O)Cc1ccc(F)cc1C#N	ZINC000451578377	560315833	/nfs/dbraw/zinc/31/58/33/560315833.db2.gz	HDQVJZBKXYHCIY-UHFFFAOYSA-N	-1	3	356.419	2.239	20	30		FEEDHM
CN(C)C(=O)C1([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)CCCCC1	ZINC000451787763	560328402	/nfs/dbraw/zinc/32/84/02/560328402.db2.gz	SXAWDAQHDAHNMP-UHFFFAOYSA-N	-1	3	369.874	2.281	20	30		FEEDHM
CN(CCC#N)S(=O)(=O)[N-][C@H](CCC(C)(C)C)C(=O)OC(C)(C)C	ZINC000451907619	560336372	/nfs/dbraw/zinc/33/63/72/560336372.db2.gz	XODBDFSZCHREKD-CYBMUJFWSA-N	-1	3	361.508	2.203	20	30		FEEDHM
C[C@@H](Cc1cnn(C)c1)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000451969537	560341239	/nfs/dbraw/zinc/34/12/39/560341239.db2.gz	QXHFOUBFKQGIGW-JTQLQIEISA-N	-1	3	372.372	2.220	20	30		FEEDHM
CC(C)CC(=O)NCCc1ccc(S(=O)(=O)[N-][C@@H](C#N)C(C)C)s1	ZINC000463462982	560816101	/nfs/dbraw/zinc/81/61/01/560816101.db2.gz	ANCLMIVSDDXCKD-AWEZNQCLSA-N	-1	3	371.528	2.279	20	30		FEEDHM
C=C[C@@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1C(F)(F)F	ZINC000465123909	560858492	/nfs/dbraw/zinc/85/84/92/560858492.db2.gz	YSQHSQGLGBCKEF-ZJUUUORDSA-N	-1	3	350.362	2.063	20	30		FEEDHM
C[C@H]1C[C@H](C)CN(CCC[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)C1	ZINC000467130304	560904328	/nfs/dbraw/zinc/90/43/28/560904328.db2.gz	GKDIXXZGZZZWTL-STQMWFEESA-N	-1	3	371.453	2.483	20	30		FEEDHM
N#Cc1ccccc1Oc1ccc(NC(=O)c2[nH]c(=O)[n-]c(=O)c2N)cc1	ZINC000468108717	560922545	/nfs/dbraw/zinc/92/25/45/560922545.db2.gz	GNWDCBIGEMSHCM-UHFFFAOYSA-N	-1	3	363.333	2.386	20	30		FEEDHM
N#Cc1ccc(N2CCN(C(=O)CCCc3ccc([O-])c(F)c3)CC2)nc1	ZINC000468648427	560934999	/nfs/dbraw/zinc/93/49/99/560934999.db2.gz	LATLMXSKAOQNFQ-UHFFFAOYSA-N	-1	3	368.412	2.469	20	30		FEEDHM
CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H](C#N)C(C)C)cc1	ZINC000469158216	560948548	/nfs/dbraw/zinc/94/85/48/560948548.db2.gz	YDHSPQFAOLVDFZ-OAHLLOKOSA-N	-1	3	373.500	2.055	20	30		FEEDHM
C[C@H](CN1C[C@H](C)C[C@H](C)C1)[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000470611505	560985687	/nfs/dbraw/zinc/98/56/87/560985687.db2.gz	IWBQFIIPHOXDAL-FRRDWIJNSA-N	-1	3	371.453	2.481	20	30		FEEDHM
N#Cc1ccc(N2CCC[C@@H](NC(=O)NCc3ncccc3[O-])C2)c(F)c1	ZINC000471861299	561013216	/nfs/dbraw/zinc/01/32/16/561013216.db2.gz	NQJQOLFEQBKSFT-CQSZACIVSA-N	-1	3	369.400	2.266	20	30		FEEDHM
CCOC(=O)[C@H](Cc1ccccc1Cl)[N-]S(=O)(=O)CCCC#N	ZINC000472732574	561034020	/nfs/dbraw/zinc/03/40/20/561034020.db2.gz	CFMQNAKNVDJFJK-AWEZNQCLSA-N	-1	3	358.847	2.037	20	30		FEEDHM
COc1ccccc1[C@@H](CO)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1	ZINC000533551707	562512750	/nfs/dbraw/zinc/51/27/50/562512750.db2.gz	OFRUXIUKQVVGPP-OAHLLOKOSA-N	-1	3	366.826	2.232	20	30		FEEDHM
COCC[C@@H](Cc1ccco1)[N-]S(=O)(=O)c1ccc(C#N)cc1F	ZINC000541313361	562608823	/nfs/dbraw/zinc/60/88/23/562608823.db2.gz	TXCZBVGMRNTKRP-ZDUSSCGKSA-N	-1	3	352.387	2.216	20	30		FEEDHM
Cc1cnc([C@H](C)C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)s1	ZINC000541808902	562620198	/nfs/dbraw/zinc/62/01/98/562620198.db2.gz	FTFNSAJXTXZBLU-SECBINFHSA-N	-1	3	366.424	2.313	20	30		FEEDHM
Cc1nnc(-c2cccc(C#N)c2)n1Cc1ccc(-c2nnn[n-]2)cc1F	ZINC000737526055	598828571	/nfs/dbraw/zinc/82/85/71/598828571.db2.gz	VQAPQPOSARVFKO-UHFFFAOYSA-N	-1	3	360.356	2.493	20	30		FEEDHM
Cc1nnc(-c2cccc(C#N)c2)n1Cc1ccc(-c2nn[n-]n2)cc1F	ZINC000737526055	598828573	/nfs/dbraw/zinc/82/85/73/598828573.db2.gz	VQAPQPOSARVFKO-UHFFFAOYSA-N	-1	3	360.356	2.493	20	30		FEEDHM
N#Cc1cc(NC(=O)c2ccc(-n3cccn3)cc2)ccc1-c1nnn[n-]1	ZINC000737707707	598920282	/nfs/dbraw/zinc/92/02/82/598920282.db2.gz	BHOULSXOXZKBAX-UHFFFAOYSA-N	-1	3	356.349	2.176	20	30		FEEDHM
N#Cc1cc(NC(=O)c2ccc(-n3cccn3)cc2)ccc1-c1nn[n-]n1	ZINC000737707707	598920284	/nfs/dbraw/zinc/92/02/84/598920284.db2.gz	BHOULSXOXZKBAX-UHFFFAOYSA-N	-1	3	356.349	2.176	20	30		FEEDHM
COc1ccc(C(C)=NNCc2ccc(-c3nn[n-]n3)cc2)cc1OC	ZINC000821777256	607253366	/nfs/dbraw/zinc/25/33/66/607253366.db2.gz	CNUFKLCNISCDHF-UHFFFAOYSA-N	-1	3	352.398	2.398	20	30		FEEDHM
COc1ccc(C(C)=NNCc2ccc(-c3nnn[n-]3)cc2)cc1OC	ZINC000821777256	607253365	/nfs/dbraw/zinc/25/33/65/607253365.db2.gz	CNUFKLCNISCDHF-UHFFFAOYSA-N	-1	3	352.398	2.398	20	30		FEEDHM
COc1cc2c(cc1C=NNCc1ccc(-c3nnn[n-]3)cc1)O[C@H](C)C2	ZINC000821728648	607253464	/nfs/dbraw/zinc/25/34/64/607253464.db2.gz	XYKDTBZJENMFGR-GFCCVEGCSA-N	-1	3	364.409	2.322	20	30		FEEDHM
COc1cc2c(cc1C=NNCc1ccc(-c3nn[n-]n3)cc1)O[C@H](C)C2	ZINC000821728648	607253465	/nfs/dbraw/zinc/25/34/65/607253465.db2.gz	XYKDTBZJENMFGR-GFCCVEGCSA-N	-1	3	364.409	2.322	20	30		FEEDHM
C(=NNCc1ccc(-c2nnn[n-]2)cc1)c1cnc(-c2ccccc2)nc1	ZINC000819719013	607253552	/nfs/dbraw/zinc/25/35/52/607253552.db2.gz	XCVAAHDOTVAJEJ-UHFFFAOYSA-N	-1	3	356.393	2.447	20	30		FEEDHM
C(=NNCc1ccc(-c2nn[n-]n2)cc1)c1cnc(-c2ccccc2)nc1	ZINC000819719013	607253553	/nfs/dbraw/zinc/25/35/53/607253553.db2.gz	XCVAAHDOTVAJEJ-UHFFFAOYSA-N	-1	3	356.393	2.447	20	30		FEEDHM
CC(C)c1ccc2c(c1)C(=NNCc1ccc(-c3nnn[n-]3)cc1)C(=O)N2	ZINC000820192210	607254225	/nfs/dbraw/zinc/25/42/25/607254225.db2.gz	GMPQIGMYXHGKQH-UHFFFAOYSA-N	-1	3	361.409	2.436	20	30		FEEDHM
CC(C)c1ccc2c(c1)C(=NNCc1ccc(-c3nn[n-]n3)cc1)C(=O)N2	ZINC000820192210	607254226	/nfs/dbraw/zinc/25/42/26/607254226.db2.gz	GMPQIGMYXHGKQH-UHFFFAOYSA-N	-1	3	361.409	2.436	20	30		FEEDHM
Cc1cc(-c2nnn[n-]2)ccc1OS(=O)(=O)c1ccc(C#N)cc1C	ZINC000737222220	599001911	/nfs/dbraw/zinc/00/19/11/599001911.db2.gz	VAUSTFRPOVRXPN-UHFFFAOYSA-N	-1	3	355.379	2.123	20	30		FEEDHM
Cc1cc(-c2nn[n-]n2)ccc1OS(=O)(=O)c1ccc(C#N)cc1C	ZINC000737222220	599001913	/nfs/dbraw/zinc/00/19/13/599001913.db2.gz	VAUSTFRPOVRXPN-UHFFFAOYSA-N	-1	3	355.379	2.123	20	30		FEEDHM
N#C[C@@H](NC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1)C1CC1	ZINC000737676400	599031472	/nfs/dbraw/zinc/03/14/72/599031472.db2.gz	WAIQWCSXSMQLNR-GOSISDBHSA-N	-1	3	374.404	2.478	20	30		FEEDHM
N#C[C@@H](NC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1)C1CC1	ZINC000737676400	599031474	/nfs/dbraw/zinc/03/14/74/599031474.db2.gz	WAIQWCSXSMQLNR-GOSISDBHSA-N	-1	3	374.404	2.478	20	30		FEEDHM
Cc1c(C#N)cccc1N[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O	ZINC000822015122	607258095	/nfs/dbraw/zinc/25/80/95/607258095.db2.gz	DBWAUTQDWAGDOQ-KRWDZBQOSA-N	-1	3	359.393	2.264	20	30		FEEDHM
Cc1c(C#N)cccc1N[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O	ZINC000822015122	607258096	/nfs/dbraw/zinc/25/80/96/607258096.db2.gz	DBWAUTQDWAGDOQ-KRWDZBQOSA-N	-1	3	359.393	2.264	20	30		FEEDHM
N#Cc1ccnc(SCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c1	ZINC000737726989	599165228	/nfs/dbraw/zinc/16/52/28/599165228.db2.gz	AIQYLHRESKLXBZ-UHFFFAOYSA-N	-1	3	362.378	2.476	20	30		FEEDHM
N#Cc1ccnc(SCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c1	ZINC000737726989	599165229	/nfs/dbraw/zinc/16/52/29/599165229.db2.gz	AIQYLHRESKLXBZ-UHFFFAOYSA-N	-1	3	362.378	2.476	20	30		FEEDHM
C[C@H](Oc1ccccc1F)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1	ZINC000736188500	599191379	/nfs/dbraw/zinc/19/13/79/599191379.db2.gz	KMAFJCATBHXCJY-JTQLQIEISA-N	-1	3	352.329	2.283	20	30		FEEDHM
C[C@H](Oc1ccccc1F)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1	ZINC000736188500	599191382	/nfs/dbraw/zinc/19/13/82/599191382.db2.gz	KMAFJCATBHXCJY-JTQLQIEISA-N	-1	3	352.329	2.283	20	30		FEEDHM
C#CCCCNC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1	ZINC000819692758	599192157	/nfs/dbraw/zinc/19/21/57/599192157.db2.gz	JXBAVSUQWNQDFO-UHFFFAOYSA-N	-1	3	351.366	2.182	20	30		FEEDHM
C#CCCCNC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1	ZINC000819692758	599192160	/nfs/dbraw/zinc/19/21/60/599192160.db2.gz	JXBAVSUQWNQDFO-UHFFFAOYSA-N	-1	3	351.366	2.182	20	30		FEEDHM
COc1ccc2c(ccn2CC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c1	ZINC000737119894	599198184	/nfs/dbraw/zinc/19/81/84/599198184.db2.gz	VNGQMEDMHTYNDQ-UHFFFAOYSA-N	-1	3	373.376	2.340	20	30		FEEDHM
COc1ccc2c(ccn2CC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c1	ZINC000737119894	599198185	/nfs/dbraw/zinc/19/81/85/599198185.db2.gz	VNGQMEDMHTYNDQ-UHFFFAOYSA-N	-1	3	373.376	2.340	20	30		FEEDHM
N#Cc1c2[nH]c3ccccc3n2c(=O)cc1CN1CCC(C(=O)[O-])CC1	ZINC000740309419	596919717	/nfs/dbraw/zinc/91/97/17/596919717.db2.gz	HHHVDHUIZZQWEZ-AWEZNQCLSA-N	-1	3	350.378	2.020	20	30		FEEDHM
N#CCOc1ccc(CNC(=S)Nc2ccccc2-c2nnn[n-]2)cc1	ZINC000737697658	598495262	/nfs/dbraw/zinc/49/52/62/598495262.db2.gz	KSOQHKJIOBIDCJ-UHFFFAOYSA-N	-1	3	365.422	2.256	20	30		FEEDHM
N#CCOc1ccc(CNC(=S)Nc2ccccc2-c2nn[n-]n2)cc1	ZINC000737697658	598495263	/nfs/dbraw/zinc/49/52/63/598495263.db2.gz	KSOQHKJIOBIDCJ-UHFFFAOYSA-N	-1	3	365.422	2.256	20	30		FEEDHM
N#Cc1ccc(NC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)cc1	ZINC000737716372	598570609	/nfs/dbraw/zinc/57/06/09/598570609.db2.gz	QCRMIHKXPJNZEZ-QGZVFWFLSA-N	-1	3	359.393	2.346	20	30		FEEDHM
N#Cc1ccc(N2CCC[C@H]2C(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1	ZINC000609101326	598574402	/nfs/dbraw/zinc/57/44/02/598574402.db2.gz	MUBLCUHJAYQMDI-KRWDZBQOSA-N	-1	3	359.393	2.346	20	30		FEEDHM
N#Cc1ccc(N2CCC[C@H]2C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1	ZINC000609101326	598574405	/nfs/dbraw/zinc/57/44/05/598574405.db2.gz	MUBLCUHJAYQMDI-KRWDZBQOSA-N	-1	3	359.393	2.346	20	30		FEEDHM
N#CCN1CCC(Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CC1	ZINC000737694426	598581073	/nfs/dbraw/zinc/58/10/73/598581073.db2.gz	BZUWKKIQVZCDCT-UHFFFAOYSA-N	-1	3	351.336	2.285	20	30		FEEDHM
N#CCN1CCC(Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CC1	ZINC000737694426	598581075	/nfs/dbraw/zinc/58/10/75/598581075.db2.gz	BZUWKKIQVZCDCT-UHFFFAOYSA-N	-1	3	351.336	2.285	20	30		FEEDHM
N#Cc1ccc(CSCC(=O)Nc2ccc(-c3nnn[n-]3)cn2)cc1	ZINC000737717519	598660093	/nfs/dbraw/zinc/66/00/93/598660093.db2.gz	FCMGGOBACULVFC-UHFFFAOYSA-N	-1	3	351.395	2.005	20	30		FEEDHM
N#Cc1ccc(CSCC(=O)Nc2ccc(-c3nn[n-]n3)cn2)cc1	ZINC000737717519	598660094	/nfs/dbraw/zinc/66/00/94/598660094.db2.gz	FCMGGOBACULVFC-UHFFFAOYSA-N	-1	3	351.395	2.005	20	30		FEEDHM
C#Cc1cccc(N(CC)S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c1	ZINC000735391626	598662648	/nfs/dbraw/zinc/66/26/48/598662648.db2.gz	VQXQAIQKHNOYFP-UHFFFAOYSA-N	-1	3	353.407	2.063	20	30		FEEDHM
C#Cc1cccc(N(CC)S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c1	ZINC000735391626	598662650	/nfs/dbraw/zinc/66/26/50/598662650.db2.gz	VQXQAIQKHNOYFP-UHFFFAOYSA-N	-1	3	353.407	2.063	20	30		FEEDHM
C=CCOc1ccccc1CNC(=O)COc1ccc(-c2nn[n-]n2)cc1	ZINC000735437129	598667600	/nfs/dbraw/zinc/66/76/00/598667600.db2.gz	XKTSWPMLDZCUCR-UHFFFAOYSA-N	-1	3	365.393	2.127	20	30		FEEDHM
C#CCCS(=O)(=O)[N-]C[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F	ZINC000808295674	674450612	/nfs/dbraw/zinc/45/06/12/674450612.db2.gz	RTVOMBVLVGZNQR-GFCCVEGCSA-N	-1	3	355.765	2.033	20	30		FEEDHM
CSc1nc(C2CC2)cc(C(=O)NCCCCC#N)c1-c1nnn[n-]1	ZINC000737188635	598754673	/nfs/dbraw/zinc/75/46/73/598754673.db2.gz	CUSCVQSMAJDUEZ-UHFFFAOYSA-N	-1	3	357.443	2.285	20	30		FEEDHM
CC[C@@H](C#N)Oc1cc(CNCc2ccc(-c3nnn[n-]3)o2)ccc1OC	ZINC000820843323	599436894	/nfs/dbraw/zinc/43/68/94/599436894.db2.gz	WLLZKABAQHRIBU-ZDUSSCGKSA-N	-1	3	368.397	2.439	20	30		FEEDHM
CC[C@@H](C#N)Oc1cc(CNCc2ccc(-c3nn[n-]n3)o2)ccc1OC	ZINC000820843323	599436895	/nfs/dbraw/zinc/43/68/95/599436895.db2.gz	WLLZKABAQHRIBU-ZDUSSCGKSA-N	-1	3	368.397	2.439	20	30		FEEDHM
N#Cc1ccc(C(=O)COC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1	ZINC000826384003	607379922	/nfs/dbraw/zinc/37/99/22/607379922.db2.gz	BLAAJDNKJVVASG-UHFFFAOYSA-N	-1	3	369.287	2.056	20	30		FEEDHM
N#Cc1ccc(C(=O)COC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1	ZINC000826384003	607379923	/nfs/dbraw/zinc/37/99/23/607379923.db2.gz	BLAAJDNKJVVASG-UHFFFAOYSA-N	-1	3	369.287	2.056	20	30		FEEDHM
C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@@H](C)c1cccc(C#N)c1	ZINC000820542869	599509643	/nfs/dbraw/zinc/50/96/43/599509643.db2.gz	RSTUDLDULGURMK-STQMWFEESA-N	-1	3	362.393	2.383	20	30		FEEDHM
C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@@H](C)c1cccc(C#N)c1	ZINC000820542869	599509644	/nfs/dbraw/zinc/50/96/44/599509644.db2.gz	RSTUDLDULGURMK-STQMWFEESA-N	-1	3	362.393	2.383	20	30		FEEDHM
C[C@@H](NC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1)c1cccc(C#N)c1	ZINC000820542866	599509646	/nfs/dbraw/zinc/50/96/46/599509646.db2.gz	RSTUDLDULGURMK-OLZOCXBDSA-N	-1	3	362.393	2.383	20	30		FEEDHM
C[C@@H](NC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1)c1cccc(C#N)c1	ZINC000820542866	599509647	/nfs/dbraw/zinc/50/96/47/599509647.db2.gz	RSTUDLDULGURMK-OLZOCXBDSA-N	-1	3	362.393	2.383	20	30		FEEDHM
C[C@@H](Oc1ccccc1C#N)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1	ZINC000820548723	599509951	/nfs/dbraw/zinc/50/99/51/599509951.db2.gz	FVQZMWQAGMHIHL-QWHCGFSZSA-N	-1	3	362.393	2.383	20	30		FEEDHM
C[C@@H](Oc1ccccc1C#N)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1	ZINC000820548723	599509953	/nfs/dbraw/zinc/50/99/53/599509953.db2.gz	FVQZMWQAGMHIHL-QWHCGFSZSA-N	-1	3	362.393	2.383	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)cn2)cc1C(F)(F)F	ZINC000822829940	599634077	/nfs/dbraw/zinc/63/40/77/599634077.db2.gz	QKICNYLMVLVVPO-UHFFFAOYSA-N	-1	3	359.271	2.404	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)cn2)cc1C(F)(F)F	ZINC000822829940	599634078	/nfs/dbraw/zinc/63/40/78/599634078.db2.gz	QKICNYLMVLVVPO-UHFFFAOYSA-N	-1	3	359.271	2.404	20	30		FEEDHM
CCC(CC)CN(CCC#N)CC(=O)NCc1ccc(-c2nnn[n-]2)cc1	ZINC000820892879	599640421	/nfs/dbraw/zinc/64/04/21/599640421.db2.gz	GFKYQIJNPBKARD-UHFFFAOYSA-N	-1	3	369.473	2.135	20	30		FEEDHM
CCC(CC)CN(CCC#N)CC(=O)NCc1ccc(-c2nn[n-]n2)cc1	ZINC000820892879	599640422	/nfs/dbraw/zinc/64/04/22/599640422.db2.gz	GFKYQIJNPBKARD-UHFFFAOYSA-N	-1	3	369.473	2.135	20	30		FEEDHM
C[C@H](OC(=O)C1(C#N)CCCCC1)C(=O)Nc1ccccc1-c1nnn[n-]1	ZINC000820487442	599658591	/nfs/dbraw/zinc/65/85/91/599658591.db2.gz	GRNZJTHCUHUDFI-LBPRGKRZSA-N	-1	3	368.397	2.211	20	30		FEEDHM
C[C@H](OC(=O)C1(C#N)CCCCC1)C(=O)Nc1ccccc1-c1nn[n-]n1	ZINC000820487442	599658592	/nfs/dbraw/zinc/65/85/92/599658592.db2.gz	GRNZJTHCUHUDFI-LBPRGKRZSA-N	-1	3	368.397	2.211	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](C)c1cnn(C)c1	ZINC000819742885	599675358	/nfs/dbraw/zinc/67/53/58/599675358.db2.gz	BKVJKDSCJMIUAI-ZDUSSCGKSA-N	-1	3	366.429	2.059	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](C)c1cnn(C)c1	ZINC000819742885	599675359	/nfs/dbraw/zinc/67/53/59/599675359.db2.gz	BKVJKDSCJMIUAI-ZDUSSCGKSA-N	-1	3	366.429	2.059	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cc(C)n(C)n1	ZINC000823910102	607395522	/nfs/dbraw/zinc/39/55/22/607395522.db2.gz	XJIWMFXVSQUAEC-UHFFFAOYSA-N	-1	3	352.402	2.129	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cc(C)n(C)n1	ZINC000823910102	607395523	/nfs/dbraw/zinc/39/55/23/607395523.db2.gz	XJIWMFXVSQUAEC-UHFFFAOYSA-N	-1	3	352.402	2.129	20	30		FEEDHM
COc1ccc(-c2nnn[n-]2)cc1COC(=O)CCc1ccc(C#N)cc1	ZINC000821741356	607411787	/nfs/dbraw/zinc/41/17/87/607411787.db2.gz	LEXIXFYOLHYGTD-UHFFFAOYSA-N	-1	3	363.377	2.423	20	30		FEEDHM
COc1ccc(-c2nn[n-]n2)cc1COC(=O)CCc1ccc(C#N)cc1	ZINC000821741356	607411789	/nfs/dbraw/zinc/41/17/89/607411789.db2.gz	LEXIXFYOLHYGTD-UHFFFAOYSA-N	-1	3	363.377	2.423	20	30		FEEDHM
CN(Cc1cccc(C#N)c1)C(=O)c1ncc(-c2nnn[n-]2)cc1Cl	ZINC000821613187	607452430	/nfs/dbraw/zinc/45/24/30/607452430.db2.gz	AWOROUIEFRBIOP-UHFFFAOYSA-N	-1	3	353.773	2.059	20	30		FEEDHM
CN(Cc1cccc(C#N)c1)C(=O)c1ncc(-c2nn[n-]n2)cc1Cl	ZINC000821613187	607452431	/nfs/dbraw/zinc/45/24/31/607452431.db2.gz	AWOROUIEFRBIOP-UHFFFAOYSA-N	-1	3	353.773	2.059	20	30		FEEDHM
CS(=O)(=O)Cc1ccc(CN[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1	ZINC000738155685	600594536	/nfs/dbraw/zinc/59/45/36/600594536.db2.gz	VNHXBDSIIFXPSW-KRWDZBQOSA-N	-1	3	358.419	2.018	20	30		FEEDHM
CS(=O)(=O)Cc1ccc(CN[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1	ZINC000738155687	600594570	/nfs/dbraw/zinc/59/45/70/600594570.db2.gz	VNHXBDSIIFXPSW-QGZVFWFLSA-N	-1	3	358.419	2.018	20	30		FEEDHM
Fc1cc(-c2nnn[n-]2)ccc1CN=Nc1c(F)c(F)nc(F)c1F	ZINC000822739668	607463965	/nfs/dbraw/zinc/46/39/65/607463965.db2.gz	BIWZARWFIWOMDT-UHFFFAOYSA-N	-1	3	355.230	2.403	20	30		FEEDHM
Fc1cc(-c2nn[n-]n2)ccc1CN=Nc1c(F)c(F)nc(F)c1F	ZINC000822739668	607463966	/nfs/dbraw/zinc/46/39/66/607463966.db2.gz	BIWZARWFIWOMDT-UHFFFAOYSA-N	-1	3	355.230	2.403	20	30		FEEDHM
N#Cc1cc(Cl)ccc1S(=O)(=O)Oc1ccccc1-c1nnn[n-]1	ZINC000826383480	607574409	/nfs/dbraw/zinc/57/44/09/607574409.db2.gz	CHMINMUXSZMROJ-UHFFFAOYSA-N	-1	3	361.770	2.159	20	30		FEEDHM
N#Cc1cc(Cl)ccc1S(=O)(=O)Oc1ccccc1-c1nn[n-]n1	ZINC000826383480	607574411	/nfs/dbraw/zinc/57/44/11/607574411.db2.gz	CHMINMUXSZMROJ-UHFFFAOYSA-N	-1	3	361.770	2.159	20	30		FEEDHM
C[C@H]1CN(C(=O)[O-])CCN1CC(=O)C(C#N)c1nc2ccccc2s1	ZINC000739158478	602738203	/nfs/dbraw/zinc/73/82/03/602738203.db2.gz	BJRRJLLRUQGTLE-RYUDHWBXSA-N	-1	3	358.423	2.157	20	30		FEEDHM
CCOc1ccccc1NC(=O)C(C#N)C(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1	ZINC000827459593	604221034	/nfs/dbraw/zinc/22/10/34/604221034.db2.gz	IIERHMKLQAEUJM-JHJVBQTASA-N	-1	3	359.382	2.169	20	30		FEEDHM
C[C@@](CNC(=O)[O-])(NCC(=O)Nc1ccc(C#N)c(Cl)c1)C1CC1	ZINC000824951786	604340525	/nfs/dbraw/zinc/34/05/25/604340525.db2.gz	AGLQAOMGKOKCPR-INIZCTEOSA-N	-1	3	350.806	2.176	20	30		FEEDHM
CC(C)(C(=O)[O-])[C@H]1CCCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000833417343	604940559	/nfs/dbraw/zinc/94/05/59/604940559.db2.gz	QDWIDMSCKBTZJN-DOTOQJQBSA-N	-1	3	355.438	2.486	20	30		FEEDHM
CCOC(=O)Nc1ccc(NC(=O)C2(C#N)CC(C)C2)cc1-c1nnn[n-]1	ZINC000825530197	607761830	/nfs/dbraw/zinc/76/18/30/607761830.db2.gz	BFDDUBZZDSQDFK-UHFFFAOYSA-N	-1	3	369.385	2.313	20	30		FEEDHM
CCOC(=O)Nc1ccc(NC(=O)C2(C#N)CC(C)C2)cc1-c1nn[n-]n1	ZINC000825530197	607761831	/nfs/dbraw/zinc/76/18/31/607761831.db2.gz	BFDDUBZZDSQDFK-UHFFFAOYSA-N	-1	3	369.385	2.313	20	30		FEEDHM
CC(C)(C#N)CCCN1CCN(c2oc(C3CC3)nc2-c2nnn[n-]2)CC1	ZINC000819891536	606110347	/nfs/dbraw/zinc/11/03/47/606110347.db2.gz	AEEUPKCRAKDXGA-UHFFFAOYSA-N	-1	3	370.461	2.184	20	30		FEEDHM
CO[C@@H](C)c1nc(CSc2nc(N)c(-c3nnn[n-]3)cc2C#N)cs1	ZINC000821675648	606171057	/nfs/dbraw/zinc/17/10/57/606171057.db2.gz	QDINMTNUYMZBQX-ZETCQYMHSA-N	-1	3	374.455	2.172	20	30		FEEDHM
CO[C@@H](C)c1nc(CSc2nc(N)c(-c3nn[n-]n3)cc2C#N)cs1	ZINC000821675648	606171059	/nfs/dbraw/zinc/17/10/59/606171059.db2.gz	QDINMTNUYMZBQX-ZETCQYMHSA-N	-1	3	374.455	2.172	20	30		FEEDHM
N#Cc1cc(N[C@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)ccc1F	ZINC000822823133	606248716	/nfs/dbraw/zinc/24/87/16/606248716.db2.gz	LPUVKIMYFGHMBF-INIZCTEOSA-N	-1	3	363.356	2.095	20	30		FEEDHM
N#Cc1cc(N[C@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)ccc1F	ZINC000822823133	606248717	/nfs/dbraw/zinc/24/87/17/606248717.db2.gz	LPUVKIMYFGHMBF-INIZCTEOSA-N	-1	3	363.356	2.095	20	30		FEEDHM
C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(F)cc1C#N	ZINC000820527485	606264312	/nfs/dbraw/zinc/26/43/12/606264312.db2.gz	LKMNRMMUAFZDCD-JTQLQIEISA-N	-1	3	352.329	2.283	20	30		FEEDHM
N#Cc1ccnc(S[C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)c1	ZINC000822842559	606311151	/nfs/dbraw/zinc/31/11/51/606311151.db2.gz	OGORULGYJPRSEO-LLVKDONJSA-N	-1	3	369.435	2.092	20	30		FEEDHM
N#Cc1ccnc(S[C@@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)c1	ZINC000822842559	606311153	/nfs/dbraw/zinc/31/11/53/606311153.db2.gz	OGORULGYJPRSEO-LLVKDONJSA-N	-1	3	369.435	2.092	20	30		FEEDHM
C=CCNC(=O)[C@@H](C)SCc1ccc(-c2nnn[n-]2)cc1OC(F)F	ZINC000819751134	606597740	/nfs/dbraw/zinc/59/77/40/606597740.db2.gz	RJKJJPFBMWXPOF-SECBINFHSA-N	-1	3	369.397	2.392	20	30		FEEDHM
C=CCNC(=O)[C@@H](C)SCc1ccc(-c2nn[n-]n2)cc1OC(F)F	ZINC000819751134	606597742	/nfs/dbraw/zinc/59/77/42/606597742.db2.gz	RJKJJPFBMWXPOF-SECBINFHSA-N	-1	3	369.397	2.392	20	30		FEEDHM
COc1cc(C#N)ccc1OC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F	ZINC000821703343	606665473	/nfs/dbraw/zinc/66/54/73/606665473.db2.gz	ZZWAHDMMEORBSL-UHFFFAOYSA-N	-1	3	357.276	2.244	20	30		FEEDHM
COc1cc(C#N)ccc1OC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F	ZINC000821703343	606665474	/nfs/dbraw/zinc/66/54/74/606665474.db2.gz	ZZWAHDMMEORBSL-UHFFFAOYSA-N	-1	3	357.276	2.244	20	30		FEEDHM
Cc1cc(F)cc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c1[N+](=O)[O-]	ZINC000822203140	606732796	/nfs/dbraw/zinc/73/27/96/606732796.db2.gz	GNHATOINEAPMFC-UHFFFAOYSA-N	-1	3	367.300	2.346	20	30		FEEDHM
Cc1cc(F)cc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c1[N+](=O)[O-]	ZINC000822203140	606732798	/nfs/dbraw/zinc/73/27/98/606732798.db2.gz	GNHATOINEAPMFC-UHFFFAOYSA-N	-1	3	367.300	2.346	20	30		FEEDHM
CC(C)C1N=NC(=S)N1N=Cc1c[nH]c2ccc(-c3nnn[n-]3)cc12	ZINC000820211696	607146161	/nfs/dbraw/zinc/14/61/61/607146161.db2.gz	VGLKUUDUAAJSBA-UHFFFAOYSA-N	-1	3	353.415	2.234	20	30		FEEDHM
CC(C)C1N=NC(=S)N1N=Cc1c[nH]c2ccc(-c3nn[n-]n3)cc12	ZINC000820211696	607146162	/nfs/dbraw/zinc/14/61/62/607146162.db2.gz	VGLKUUDUAAJSBA-UHFFFAOYSA-N	-1	3	353.415	2.234	20	30		FEEDHM
N#CCc1ccc(NC(=O)COc2ccc(-c3nnn[n-]3)cc2F)cc1	ZINC000822814511	607171664	/nfs/dbraw/zinc/17/16/64/607171664.db2.gz	GWMOQUNUCXVFOI-UHFFFAOYSA-N	-1	3	352.329	2.089	20	30		FEEDHM
N#CCc1ccc(NC(=O)COc2ccc(-c3nn[n-]n3)cc2F)cc1	ZINC000822814511	607171665	/nfs/dbraw/zinc/17/16/65/607171665.db2.gz	GWMOQUNUCXVFOI-UHFFFAOYSA-N	-1	3	352.329	2.089	20	30		FEEDHM
COc1ccc(OCC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1C	ZINC000821842638	607238433	/nfs/dbraw/zinc/23/84/33/607238433.db2.gz	UVHZYHUOFXHYNE-UHFFFAOYSA-N	-1	3	364.365	2.073	20	30		FEEDHM
COc1ccc(OCC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1C	ZINC000821842638	607238434	/nfs/dbraw/zinc/23/84/34/607238434.db2.gz	UVHZYHUOFXHYNE-UHFFFAOYSA-N	-1	3	364.365	2.073	20	30		FEEDHM
COc1ccc(NC(=S)NN=Cc2ccccc2-c2nnn[n-]2)cc1	ZINC000826209512	607881856	/nfs/dbraw/zinc/88/18/56/607881856.db2.gz	FXSTUIOBAMAOHO-UHFFFAOYSA-N	-1	3	353.411	2.196	20	30		FEEDHM
COc1ccc(NC(=S)NN=Cc2ccccc2-c2nn[n-]n2)cc1	ZINC000826209512	607881857	/nfs/dbraw/zinc/88/18/57/607881857.db2.gz	FXSTUIOBAMAOHO-UHFFFAOYSA-N	-1	3	353.411	2.196	20	30		FEEDHM
CCOC(=O)[C@H]1CCC(=NNCc2ccc(-c3nnn[n-]3)cc2)[C@@H](C)C1	ZINC000825499038	608054126	/nfs/dbraw/zinc/05/41/26/608054126.db2.gz	GDGNXXISVFJRGE-WFASDCNBSA-N	-1	3	356.430	2.312	20	30		FEEDHM
CCOC(=O)[C@H]1CCC(=NNCc2ccc(-c3nn[n-]n3)cc2)[C@@H](C)C1	ZINC000825499038	608054127	/nfs/dbraw/zinc/05/41/27/608054127.db2.gz	GDGNXXISVFJRGE-WFASDCNBSA-N	-1	3	356.430	2.312	20	30		FEEDHM
N#CCc1ccc(C(=O)N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1	ZINC000826382128	608083267	/nfs/dbraw/zinc/08/32/67/608083267.db2.gz	PPPOYDOXTGSJCP-SFHVURJKSA-N	-1	3	374.404	2.146	20	30		FEEDHM
N#CCc1ccc(C(=O)N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1	ZINC000826382128	608083268	/nfs/dbraw/zinc/08/32/68/608083268.db2.gz	PPPOYDOXTGSJCP-SFHVURJKSA-N	-1	3	374.404	2.146	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H]1CCC(=O)C[C@H]1C	ZINC000823910004	608120207	/nfs/dbraw/zinc/12/02/07/608120207.db2.gz	VRKVWXBFLWQTEU-DYVFJYSZSA-N	-1	3	353.426	2.387	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H]1CCC(=O)C[C@H]1C	ZINC000823910004	608120208	/nfs/dbraw/zinc/12/02/08/608120208.db2.gz	VRKVWXBFLWQTEU-DYVFJYSZSA-N	-1	3	353.426	2.387	20	30		FEEDHM
C#Cc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)nc1	ZINC000823862010	608158849	/nfs/dbraw/zinc/15/88/49/608158849.db2.gz	XAHFJKPLKHNPQX-UHFFFAOYSA-N	-1	3	369.728	2.057	20	30		FEEDHM
C#Cc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)nc1	ZINC000823862010	608158850	/nfs/dbraw/zinc/15/88/50/608158850.db2.gz	XAHFJKPLKHNPQX-UHFFFAOYSA-N	-1	3	369.728	2.057	20	30		FEEDHM
CCn1c2ccc(C#N)cc2nc1NC(=O)c1cccc(-c2nnn[n-]2)c1	ZINC000825792667	608175601	/nfs/dbraw/zinc/17/56/01/608175601.db2.gz	CEBXYUBHCOPKAA-UHFFFAOYSA-N	-1	3	358.365	2.360	20	30		FEEDHM
CCn1c2ccc(C#N)cc2nc1NC(=O)c1cccc(-c2nn[n-]n2)c1	ZINC000825792667	608175602	/nfs/dbraw/zinc/17/56/02/608175602.db2.gz	CEBXYUBHCOPKAA-UHFFFAOYSA-N	-1	3	358.365	2.360	20	30		FEEDHM
N#Cc1cccnc1NCCNc1ccc2cc(-c3nnn[n-]3)ccc2n1	ZINC000826387379	608225335	/nfs/dbraw/zinc/22/53/35/608225335.db2.gz	SCKRUJBTEFYFPH-UHFFFAOYSA-N	-1	3	357.381	2.206	20	30		FEEDHM
N#Cc1cccnc1NCCNc1ccc2cc(-c3nn[n-]n3)ccc2n1	ZINC000826387379	608225336	/nfs/dbraw/zinc/22/53/36/608225336.db2.gz	SCKRUJBTEFYFPH-UHFFFAOYSA-N	-1	3	357.381	2.206	20	30		FEEDHM
N#Cc1ccc(C2=CCN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)CC2)cc1	ZINC000826384581	608442662	/nfs/dbraw/zinc/44/26/62/608442662.db2.gz	BDKGEUDYSFOGTQ-UHFFFAOYSA-N	-1	3	374.364	2.335	20	30		FEEDHM
N#Cc1ccc(C2=CCN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)CC2)cc1	ZINC000826384581	608442664	/nfs/dbraw/zinc/44/26/64/608442664.db2.gz	BDKGEUDYSFOGTQ-UHFFFAOYSA-N	-1	3	374.364	2.335	20	30		FEEDHM
C#CCOc1ccc(C(=O)OCc2cccc(-c3nnn[n-]3)c2F)cc1	ZINC000823856279	608448738	/nfs/dbraw/zinc/44/87/38/608448738.db2.gz	OBBXKVCSBPTYSL-UHFFFAOYSA-N	-1	3	352.325	2.375	20	30		FEEDHM
C#CCOc1ccc(C(=O)OCc2cccc(-c3nn[n-]n3)c2F)cc1	ZINC000823856279	608448740	/nfs/dbraw/zinc/44/87/40/608448740.db2.gz	OBBXKVCSBPTYSL-UHFFFAOYSA-N	-1	3	352.325	2.375	20	30		FEEDHM
CN1CCc2cc(C=[NH+][N-]c3cc(-c4nnn[n-]4)cc(Cl)n3)ccc21	ZINC000826044238	608534215	/nfs/dbraw/zinc/53/42/15/608534215.db2.gz	DHFYCEXUOXTSEW-UHFFFAOYSA-N	-1	3	354.805	2.353	20	30		FEEDHM
CN1CCc2cc(C=[NH+][N-]c3cc(-c4nn[n-]n4)cc(Cl)n3)ccc21	ZINC000826044238	608534217	/nfs/dbraw/zinc/53/42/17/608534217.db2.gz	DHFYCEXUOXTSEW-UHFFFAOYSA-N	-1	3	354.805	2.353	20	30		FEEDHM
CCOC(=O)C1CCC(N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)CC1	ZINC000825499248	608536218	/nfs/dbraw/zinc/53/62/18/608536218.db2.gz	JABYDWGNWJFNCC-UHFFFAOYSA-N	-1	3	363.809	2.436	20	30		FEEDHM
CCOC(=O)C1CCC(N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)CC1	ZINC000825499248	608536219	/nfs/dbraw/zinc/53/62/19/608536219.db2.gz	JABYDWGNWJFNCC-UHFFFAOYSA-N	-1	3	363.809	2.436	20	30		FEEDHM
C=CCCCC(=O)NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1	ZINC000823894132	608604792	/nfs/dbraw/zinc/60/47/92/608604792.db2.gz	IGSPQWKCWONNFC-UHFFFAOYSA-N	-1	3	356.430	2.424	20	30		FEEDHM
C=CCCCC(=O)NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1	ZINC000823894132	608604794	/nfs/dbraw/zinc/60/47/94/608604794.db2.gz	IGSPQWKCWONNFC-UHFFFAOYSA-N	-1	3	356.430	2.424	20	30		FEEDHM
CC[C@@H](C)n1nc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1C	ZINC000825080876	609320954	/nfs/dbraw/zinc/32/09/54/609320954.db2.gz	CMQNJQHUMNVYAS-SNVBAGLBSA-N	-1	3	350.386	2.467	20	30		FEEDHM
CC[C@@H](C)n1nc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1C	ZINC000825080876	609320956	/nfs/dbraw/zinc/32/09/56/609320956.db2.gz	CMQNJQHUMNVYAS-SNVBAGLBSA-N	-1	3	350.386	2.467	20	30		FEEDHM
N#CCC1CCN(Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)CC1	ZINC000826381040	609428803	/nfs/dbraw/zinc/42/88/03/609428803.db2.gz	VQNVJWLVGGMKSB-UHFFFAOYSA-N	-1	3	350.386	2.042	20	30		FEEDHM
C#CCCCCCC(=O)Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1	ZINC000823840754	609590405	/nfs/dbraw/zinc/59/04/05/609590405.db2.gz	DVDAXTKFFAKKSM-UHFFFAOYSA-N	-1	3	364.413	2.029	20	30		FEEDHM
C#CCCCCCC(=O)Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1	ZINC000823840754	609590407	/nfs/dbraw/zinc/59/04/07/609590407.db2.gz	DVDAXTKFFAKKSM-UHFFFAOYSA-N	-1	3	364.413	2.029	20	30		FEEDHM
C[C@H](C#N)Oc1ccccc1NC(=O)COc1ccc(-c2nn[n-]n2)cc1	ZINC000824035497	609623536	/nfs/dbraw/zinc/62/35/36/609623536.db2.gz	YVNNBODWWLMQQG-GFCCVEGCSA-N	-1	3	364.365	2.175	20	30		FEEDHM
C[C@H](CC(=O)OC[C@H]1CC1(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000813127475	674722334	/nfs/dbraw/zinc/72/23/34/674722334.db2.gz	LPFXXDYUJPCCNY-VXGBXAGGSA-N	-1	3	350.440	2.093	20	30		FEEDHM
COC(=O)c1cc(C(=O)OCC(=O)Nc2cc(Cl)ccc2C#N)c[n-]1	ZINC000814529777	674861468	/nfs/dbraw/zinc/86/14/68/674861468.db2.gz	QXANNFDZGBUMRM-UHFFFAOYSA-N	-1	3	361.741	2.122	20	30		FEEDHM
Cc1ncc(CO)c(/C=N/CC(=O)Nc2ccc(F)c(F)c2F)c1[O-]	ZINC000005110868	669950170	/nfs/dbraw/zinc/95/01/70/669950170.db2.gz	PSIXEFNANABYSD-DENHBWNVSA-N	-1	3	353.300	2.063	20	30		FEEDHM
C=CC[C@@H](CO)[N-]S(=O)(=O)c1cccc(Br)c1Cl	ZINC000579694280	671753809	/nfs/dbraw/zinc/75/38/09/671753809.db2.gz	ZWEZCHVQDLTGRN-QMMMGPOBSA-N	-1	3	354.653	2.318	20	30		FEEDHM
COCc1nc([N-]C(=O)c2c(F)cc(C#N)cc2F)sc1C(=O)OC	ZINC000579981967	671774758	/nfs/dbraw/zinc/77/47/58/671774758.db2.gz	DVGVTOGFJRMJHW-UHFFFAOYSA-N	-1	3	367.333	2.478	20	30		FEEDHM
N#CC1(CS(=O)(=O)[N-][C@H]2CCN(c3ccc(Cl)cc3)C2=O)CCC1	ZINC000582395037	671997901	/nfs/dbraw/zinc/99/79/01/671997901.db2.gz	HGVIRCSGGFNZQM-AWEZNQCLSA-N	-1	3	367.858	2.059	20	30		FEEDHM
Cc1nc([N-]C(=O)c2occc2Br)n(-c2ccc(C#N)cc2)n1	ZINC000610577608	675982610	/nfs/dbraw/zinc/98/26/10/675982610.db2.gz	ZBJCTSBZODRBGN-UHFFFAOYSA-N	-1	3	372.182	2.477	20	30		FEEDHM
CC(C)(C)[C@H]([N-]S(C)(=O)=O)C(=O)OCC#Cc1ccc(Cl)cc1	ZINC000152335155	672179582	/nfs/dbraw/zinc/17/95/82/672179582.db2.gz	UPIKUDNZSDXZHO-CQSZACIVSA-N	-1	3	357.859	2.199	20	30		FEEDHM
N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CC[C@](O)(C(F)(F)F)C2)c1	ZINC000589923773	672547859	/nfs/dbraw/zinc/54/78/59/672547859.db2.gz	VLUFNHRFROISCU-JOYOIKCWSA-N	-1	3	368.764	2.336	20	30		FEEDHM
C=C[C@H](C)NC(=O)c1c[n-]c2ccc(I)cc2c1=O	ZINC000611305669	676031127	/nfs/dbraw/zinc/03/11/27/676031127.db2.gz	JRAYHQPRXGTFRG-QMMMGPOBSA-N	-1	3	368.174	2.437	20	30		FEEDHM
COc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1ccsc1C#N)CCO2	ZINC000593578491	672949653	/nfs/dbraw/zinc/94/96/53/672949653.db2.gz	MJPSMYPBUFSRIQ-LBPRGKRZSA-N	-1	3	350.421	2.430	20	30		FEEDHM
CN(C)C[C@H]([N-]S(=O)(=O)c1ccsc1C#N)c1ccc(F)cc1	ZINC000593595601	672953875	/nfs/dbraw/zinc/95/38/75/672953875.db2.gz	ICYSNJJXFJIRRK-ZDUSSCGKSA-N	-1	3	353.444	2.340	20	30		FEEDHM
Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)NCC1CCSCC1	ZINC000329461118	673078040	/nfs/dbraw/zinc/07/80/40/673078040.db2.gz	SOAFQDCXFOGMJK-JTQLQIEISA-N	-1	3	361.489	2.058	20	30		FEEDHM
COc1ccc(NC(=S)NN=C2C(=O)Nc3cc([O-])ccc32)cc1F	ZINC000727261151	673163244	/nfs/dbraw/zinc/16/32/44/673163244.db2.gz	SBIPZJYOZNODGM-UHFFFAOYSA-N	-1	3	360.370	2.183	20	30		FEEDHM
CC[C@H](C)[C@@H]1CCCCN1C(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000737587694	673571463	/nfs/dbraw/zinc/57/14/63/673571463.db2.gz	AOJQVSGWHCILHL-ZFWWWQNUSA-N	-1	3	363.483	2.152	20	30		FEEDHM
C#CCN(CC#CC)C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1	ZINC000742130513	673707910	/nfs/dbraw/zinc/70/79/10/673707910.db2.gz	GNVHJQOZEDDDKY-UHFFFAOYSA-N	-1	3	357.207	2.389	20	30		FEEDHM
CC(C)N(CC1CC1)C(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000742536577	673729932	/nfs/dbraw/zinc/72/99/32/673729932.db2.gz	OJPIGTWZQRECER-ZDUSSCGKSA-N	-1	3	363.483	2.151	20	30		FEEDHM
C=CCC[C@@H]([N-]S(=O)(=O)CCc1noc2ccccc12)C(=O)OCC	ZINC000601431780	673861361	/nfs/dbraw/zinc/86/13/61/673861361.db2.gz	DNBMBOVSHLVDLZ-OAHLLOKOSA-N	-1	3	366.439	2.188	20	30		FEEDHM
N#Cc1ncn(CCOc2ccc(Cl)cc2Cl)c1-c1nnn[n-]1	ZINC000826388227	675687736	/nfs/dbraw/zinc/68/77/36/675687736.db2.gz	NURIEZHEVREWQA-UHFFFAOYSA-N	-1	3	350.169	2.321	20	30		FEEDHM
C=CC1CCN(C(=O)C[C@H](C)[N-]S(=O)(=O)c2cccnc2Cl)CC1	ZINC000760569728	680693056	/nfs/dbraw/zinc/69/30/56/680693056.db2.gz	PHWOLYMPHUIASR-LBPRGKRZSA-N	-1	3	371.890	2.217	20	30		FEEDHM
C[C@H]1CC(N=Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)CN1C	ZINC000761816242	680732225	/nfs/dbraw/zinc/73/22/25/680732225.db2.gz	DZMQPMGWELAMAR-NSHDSACASA-N	-1	3	365.484	2.436	20	30		FEEDHM
CS(=O)(=O)[N-]N=C(Cc1ccc(Br)cc1)C(F)(F)F	ZINC000764701335	680819040	/nfs/dbraw/zinc/81/90/40/680819040.db2.gz	YEIAFBYLPRASPY-UHFFFAOYSA-N	-1	3	359.167	2.459	20	30		FEEDHM
CS[C@H](C)CCOC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000835666050	680367474	/nfs/dbraw/zinc/36/74/74/680367474.db2.gz	GYYWAXKWZZVBGX-VXGBXAGGSA-N	-1	3	370.496	2.189	20	30		FEEDHM
CC(C)NS(=O)(=O)c1ccc(N=NCc2ccc([O-])c(F)c2)nc1	ZINC000755646859	680426684	/nfs/dbraw/zinc/42/66/84/680426684.db2.gz	YWWPVEXJOIWQJN-UHFFFAOYSA-N	-1	3	352.391	2.059	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)OCC(=O)[C@@H](C)CC)ccc1F	ZINC000756375988	680475209	/nfs/dbraw/zinc/47/52/09/680475209.db2.gz	ZERGCNXNKPJEBN-NSHDSACASA-N	-1	3	357.403	2.062	20	30		FEEDHM
CC(C)[C@H](CO)O[N-]C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1	ZINC000836499871	680477535	/nfs/dbraw/zinc/47/75/35/680477535.db2.gz	LEVUYYQIGVWHIZ-AWEZNQCLSA-N	-1	3	363.805	2.467	20	30		FEEDHM
CC#CCCOC(=O)[C@@H](CC(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000760296461	680681980	/nfs/dbraw/zinc/68/19/80/680681980.db2.gz	XQCFCIKFRKFXCS-OAHLLOKOSA-N	-1	3	362.451	2.096	20	30		FEEDHM
C[C@H](CC(=O)N[C@]1(C)CC=CCC1)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000838314512	680686056	/nfs/dbraw/zinc/68/60/56/680686056.db2.gz	GBUIPSFZYILLMD-FZKQIMNGSA-N	-1	3	361.467	2.119	20	30		FEEDHM
CC[C@](C)(C#N)[N-]C(=O)C(F)(F)c1ccc(OCC(=O)N(C)C)cc1	ZINC000769478390	680984050	/nfs/dbraw/zinc/98/40/50/680984050.db2.gz	UTXUBZHTPQLKEN-MRXNPFEDSA-N	-1	3	353.369	2.054	20	30		FEEDHM
C#C[C@@H](CCC)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br	ZINC000770393058	681014860	/nfs/dbraw/zinc/01/48/60/681014860.db2.gz	KWDUERNZWDXDKL-VIFPVBQESA-N	-1	3	361.217	2.438	20	30		FEEDHM
C#C[C@@H](CCC)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br	ZINC000770391852	681014693	/nfs/dbraw/zinc/01/46/93/681014693.db2.gz	ZGDJFKBLQBMKFQ-VIFPVBQESA-N	-1	3	361.217	2.438	20	30		FEEDHM
C[C@@H]1CCC[C@@H](COC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)C1	ZINC000770905929	681031784	/nfs/dbraw/zinc/03/17/84/681031784.db2.gz	AJMJIWPDKRDCLG-CHWSQXEVSA-N	-1	3	350.440	2.095	20	30		FEEDHM
Cc1cc(-c2noc(C/N=C3/[N-]S(=O)(=O)c4ccccc43)n2)c(C)o1	ZINC000771616524	681063206	/nfs/dbraw/zinc/06/32/06/681063206.db2.gz	RKXOBWCTDLETOQ-UHFFFAOYSA-N	-1	3	358.379	2.185	20	30		FEEDHM
C=C(C)CO[N-]C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1	ZINC000846538832	681256000	/nfs/dbraw/zinc/25/60/00/681256000.db2.gz	ZWROMTDHHCUFMB-CYBMUJFWSA-N	-1	3	358.485	2.081	20	30		FEEDHM
C[C@@](NC(=O)N[C@H]1CCCN([O-])C1=O)(c1ccc(F)cc1)C(F)(F)F	ZINC000933551480	681431285	/nfs/dbraw/zinc/43/12/85/681431285.db2.gz	XYLBSMWHJUFLIA-SMDDNHRTSA-N	-1	3	363.311	2.283	20	30		FEEDHM
Cc1ccc(/C=C/C(=O)N[C@@H]2CCCN([O-])C2=O)c(Br)c1	ZINC000848139295	681478565	/nfs/dbraw/zinc/47/85/65/681478565.db2.gz	ZHNGKDRZSNKATN-KTRBRXNASA-N	-1	3	353.216	2.267	20	30		FEEDHM
O=C(Nc1ccnn1Cc1ccc(Cl)s1)N[C@H]1CCCN([O-])C1=O	ZINC000933930821	681486708	/nfs/dbraw/zinc/48/67/08/681486708.db2.gz	XRLAYUXRUOFGNJ-JTQLQIEISA-N	-1	3	369.834	2.148	20	30		FEEDHM
CC[C@](C)(C#N)C(=O)[N-]N1C(=O)c2ccc(Br)cc2C1=O	ZINC000848270623	681506150	/nfs/dbraw/zinc/50/61/50/681506150.db2.gz	LJJVFKLNKJSKAH-CQSZACIVSA-N	-1	3	350.172	2.016	20	30		FEEDHM
COc1cc(C=NNCCCn2ccnc2)cc(Br)c1[O-]	ZINC000848419352	681537202	/nfs/dbraw/zinc/53/72/02/681537202.db2.gz	UWEHDGVRQWTCNM-UHFFFAOYSA-N	-1	3	353.220	2.374	20	30		FEEDHM
O=S1(=O)[N-]C(=NN=C2CCN(CCC(F)(F)F)CC2)c2ccccc21	ZINC000779772029	681752327	/nfs/dbraw/zinc/75/23/27/681752327.db2.gz	FESFPHUZGJKJNC-UHFFFAOYSA-N	-1	3	374.388	2.129	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)OCC[C@@H](C)C(C)=O)ccc1F	ZINC000849678435	681781004	/nfs/dbraw/zinc/78/10/04/681781004.db2.gz	DGGMSPOLXBHBKH-LLVKDONJSA-N	-1	3	357.403	2.062	20	30		FEEDHM
C[C@@H](O)[C@H]([N-]S(=O)(=O)Cc1csc(C#N)c1)c1ccccc1F	ZINC000916674882	685526896	/nfs/dbraw/zinc/52/68/96/685526896.db2.gz	RDWZHHHPHWRIIQ-BMIGLBTASA-N	-1	3	354.428	2.300	20	30		FEEDHM
O=S1(=O)CCCN1c1ccc(F)c(N=Cc2ccc(O)c([O-])c2O)c1	ZINC000917558479	685532911	/nfs/dbraw/zinc/53/29/11/685532911.db2.gz	UBBUMFJQIXGQFK-UHFFFAOYSA-N	-1	3	366.370	2.233	20	30		FEEDHM
C[C@H](C#N)N(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)C1CC1	ZINC000855584485	682690202	/nfs/dbraw/zinc/69/02/02/682690202.db2.gz	SDGHXLZJWWGLAV-LLVKDONJSA-N	-1	3	367.446	2.419	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C(C)C)C2CC2)ccc1F	ZINC000856126112	682743905	/nfs/dbraw/zinc/74/39/05/682743905.db2.gz	PNBRORHHIAAOMP-MRXNPFEDSA-N	-1	3	354.447	2.454	20	30		FEEDHM
C[C@H](CC(=O)NC[C@H]1CC[C@@H](C)C1)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000794251401	682949811	/nfs/dbraw/zinc/94/98/11/682949811.db2.gz	NIBUFBPMUOKWMD-MCIONIFRSA-N	-1	3	363.483	2.056	20	30		FEEDHM
C[C@H]1COC(=O)C1=NNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1	ZINC000794902359	683002159	/nfs/dbraw/zinc/00/21/59/683002159.db2.gz	ONUALNKOEZGLQV-LBPRGKRZSA-N	-1	3	359.407	2.448	20	30		FEEDHM
C#CC[C@H](CCOC)NC(=O)NCc1ccc([O-])c(Br)c1	ZINC000859023980	683028225	/nfs/dbraw/zinc/02/82/25/683028225.db2.gz	AOPFFOIBYPDXJO-GFCCVEGCSA-N	-1	3	355.232	2.382	20	30		FEEDHM
C#CC[C@@H](COC)[N-]S(=O)(=O)c1cccc(Br)c1Cl	ZINC000859429229	683108517	/nfs/dbraw/zinc/10/85/17/683108517.db2.gz	CAWDVGYIYMFTMR-VIFPVBQESA-N	-1	3	366.664	2.419	20	30		FEEDHM
C#CC[C@@H](COC)[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F	ZINC000859430264	683108912	/nfs/dbraw/zinc/10/89/12/683108912.db2.gz	QLHPXWWNUHDOKS-VIFPVBQESA-N	-1	3	355.309	2.041	20	30		FEEDHM
C=C(C)[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(C(=O)OCC)ccc1F	ZINC000795973339	683113642	/nfs/dbraw/zinc/11/36/42/683113642.db2.gz	WRHWFHPSYXKCQN-BBRMVZONSA-N	-1	3	371.430	2.262	20	30		FEEDHM
CCN(C[C@H](C)C#N)C(=O)COC(=O)c1cc([O-])cc(Br)c1	ZINC000860201200	683215252	/nfs/dbraw/zinc/21/52/52/683215252.db2.gz	ILLPTQLNXQZUKQ-SNVBAGLBSA-N	-1	3	369.215	2.320	20	30		FEEDHM
COC(=O)c1sc(S(=O)(=O)[N-]CC2(CC#N)CC2)c(C)c1Cl	ZINC000797458396	683253163	/nfs/dbraw/zinc/25/31/63/683253163.db2.gz	HIQRUDQYZQEWID-UHFFFAOYSA-N	-1	3	362.860	2.469	20	30		FEEDHM
C#CCC[C@H](O)C[N-]S(=O)(=O)c1cc(Br)ccc1Cl	ZINC000798485246	683357668	/nfs/dbraw/zinc/35/76/68/683357668.db2.gz	AVKQBLVINBXWGS-JTQLQIEISA-N	-1	3	366.664	2.155	20	30		FEEDHM
C[C@H](CC(=O)NC(C)(C)/C=C/Cl)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000928933246	683524116	/nfs/dbraw/zinc/52/41/16/683524116.db2.gz	JHUYYUVPBFSLIR-ANYFNZRUSA-N	-1	3	369.874	2.151	20	30		FEEDHM
COc1ncc(Br)cc1C/N=C\c1c([O-])c(C)ncc1CO	ZINC000864346208	683840364	/nfs/dbraw/zinc/84/03/64/683840364.db2.gz	QLGGKTXCVQLKOJ-IDUWFGFVSA-N	-1	3	366.215	2.373	20	30		FEEDHM
C#CC[C@@H](CCOC)[N-]S(=O)(=O)c1cc2nc(Cl)ncc2s1	ZINC000867568613	684316959	/nfs/dbraw/zinc/31/69/59/684316959.db2.gz	NIOKGKVREYOJBV-VIFPVBQESA-N	-1	3	359.860	2.051	20	30		FEEDHM
CCCC[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NCC(C)(C)F	ZINC000869626606	684636802	/nfs/dbraw/zinc/63/68/02/684636802.db2.gz	KFIVTGNJXBNUPA-CYBMUJFWSA-N	-1	3	369.462	2.148	20	30		FEEDHM
N#CC1CCC(C[N-]S(=O)(=O)c2cccc(Br)n2)CC1	ZINC000872483551	684961862	/nfs/dbraw/zinc/96/18/62/684961862.db2.gz	FLOAQKQBJHMPOD-UHFFFAOYSA-N	-1	3	358.261	2.452	20	30		FEEDHM
CCOc1ccc(Br)cc1NC(=O)N[C@@H]1CCCN([O-])C1=O	ZINC000878588166	686613953	/nfs/dbraw/zinc/61/39/53/686613953.db2.gz	WISTWYQZCAMAIS-SNVBAGLBSA-N	-1	3	372.219	2.350	20	30		FEEDHM
O=C(Nc1cc(F)c(Br)c(F)c1)N[C@@H]1CCCN([O-])C1=O	ZINC000879107013	686741839	/nfs/dbraw/zinc/74/18/39/686741839.db2.gz	QPKIKXPVVQTLMC-SECBINFHSA-N	-1	3	364.146	2.229	20	30		FEEDHM
C[C@H]1CCN(C[C@@H](O)CC2(C#N)CCC2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F	ZINC000886206050	688214027	/nfs/dbraw/zinc/21/40/27/688214027.db2.gz	HDBRDXYCXSPKAK-XUXIUFHCSA-N	-1	3	361.408	2.209	20	30		FEEDHM
C#CCC1(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCCCC1	ZINC000886654450	688286850	/nfs/dbraw/zinc/28/68/50/688286850.db2.gz	BFQKMTZOOOSNCY-UHFFFAOYSA-N	-1	3	350.440	2.220	20	30		FEEDHM
Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N([O-])Cc1ccc(F)cc1	ZINC000901375108	690641649	/nfs/dbraw/zinc/64/16/49/690641649.db2.gz	DDOCHCXDZUGURC-UHFFFAOYSA-N	-1	3	356.375	2.009	20	30		FEEDHM
CCC[C@H](C#N)[N-]S(=O)(=O)c1ccc(I)s1	ZINC000903613548	690938929	/nfs/dbraw/zinc/93/89/29/690938929.db2.gz	UYMIDNIBJTWUJO-SSDOTTSWSA-N	-1	3	370.237	2.323	20	30		FEEDHM
C=C(Cl)C[C@H](NC(=O)NC[C@H](c1ccc(C)cc1)N(C)C)C(=O)[O-]	ZINC000908859838	691742381	/nfs/dbraw/zinc/74/23/81/691742381.db2.gz	RZUKEBOYYBERNX-LSDHHAIUSA-N	-1	3	353.850	2.493	20	30		FEEDHM
N#CCc1ccc(NC(=O)CC[N-]S(=O)(=O)c2ccccc2F)cc1	ZINC000015029102	539609691	/nfs/dbraw/zinc/60/96/91/539609691.db2.gz	UXLTYDDCUVCVCS-UHFFFAOYSA-N	-1	3	361.398	2.199	20	30		FEEDHM
Cn1ccnc1[C@@H]([N-]S(=O)(=O)c1ccccc1C#N)c1ccccc1F	ZINC000017522140	539642386	/nfs/dbraw/zinc/64/23/86/539642386.db2.gz	KIWKRCKFFYMHEL-KRWDZBQOSA-N	-1	3	370.409	2.499	20	30		FEEDHM
Cn1ccnc1[C@H]([N-]S(=O)(=O)c1ccccc1C#N)c1ccccc1F	ZINC000017522141	539642422	/nfs/dbraw/zinc/64/24/22/539642422.db2.gz	KIWKRCKFFYMHEL-QGZVFWFLSA-N	-1	3	370.409	2.499	20	30		FEEDHM
COC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1)c1cccs1	ZINC000024485764	539733522	/nfs/dbraw/zinc/73/35/22/539733522.db2.gz	HGQXCPWLXIVRTN-ZDUSSCGKSA-N	-1	3	350.421	2.202	20	30		FEEDHM
N#Cc1cc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)cnc1C(F)(F)F	ZINC000549933875	674073233	/nfs/dbraw/zinc/07/32/33/674073233.db2.gz	IFGYSZAXSWTZEG-UHFFFAOYSA-N	-1	3	350.182	2.361	20	30		FEEDHM
N#Cc1cc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)cnc1C(F)(F)F	ZINC000549933875	674073235	/nfs/dbraw/zinc/07/32/35/674073235.db2.gz	IFGYSZAXSWTZEG-UHFFFAOYSA-N	-1	3	350.182	2.361	20	30		FEEDHM
COc1ccccc1-c1n[n-]c(NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)n1	ZINC000048012200	540340297	/nfs/dbraw/zinc/34/02/97/540340297.db2.gz	WYGSWABQLSJLDT-GFCCVEGCSA-N	-1	3	363.377	2.180	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@@H](C)c1ccc(C#N)cc1	ZINC000056752278	540742731	/nfs/dbraw/zinc/74/27/31/540742731.db2.gz	RYNHUYXJPADNRG-RYUDHWBXSA-N	-1	3	363.464	2.164	20	30		FEEDHM
CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1cc2c(cc1[O-])CCCC2	ZINC000540453634	541061686	/nfs/dbraw/zinc/06/16/86/541061686.db2.gz	DESSVLQZQSGGJY-UHFFFAOYSA-N	-1	3	353.426	2.153	20	30		FEEDHM
O=C(CNC(=O)NCc1ccc(F)cc1)Nc1nnc(-c2ccccn2)[n-]1	ZINC000064372334	541203320	/nfs/dbraw/zinc/20/33/20/541203320.db2.gz	SJOZPNCXWQHNHB-UHFFFAOYSA-N	-1	3	369.360	2.093	20	30		FEEDHM
O=C(CNC(=O)NCc1ccc(F)cc1)Nc1nc(-c2ccccn2)n[n-]1	ZINC000064372334	541203324	/nfs/dbraw/zinc/20/33/24/541203324.db2.gz	SJOZPNCXWQHNHB-UHFFFAOYSA-N	-1	3	369.360	2.093	20	30		FEEDHM
O=C(CNC(=O)NCc1ccc(F)cc1)Nc1n[n-]c(-c2ccccn2)n1	ZINC000064372334	541203328	/nfs/dbraw/zinc/20/33/28/541203328.db2.gz	SJOZPNCXWQHNHB-UHFFFAOYSA-N	-1	3	369.360	2.093	20	30		FEEDHM
CN(C)CCNC(=O)c1cccc(C/N=C/c2cc([N+](=O)[O-])ccc2[O-])c1	ZINC000066255536	541295317	/nfs/dbraw/zinc/29/53/17/541295317.db2.gz	YWLXKCURWYXGPS-DEDYPNTBSA-N	-1	3	370.409	2.211	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(C(=O)N(C)C)c1	ZINC000105627320	206008466	/nfs/dbraw/zinc/00/84/66/206008466.db2.gz	FSVLCJPUYZGRIY-UHFFFAOYSA-N	-1	3	366.421	2.137	20	30		FEEDHM
C#CC[N-]S(=O)(=O)c1ccc(Br)cc1Br	ZINC000037575530	206060557	/nfs/dbraw/zinc/06/05/57/206060557.db2.gz	PTFIHFMJZQYGNC-UHFFFAOYSA-N	-1	3	353.035	2.123	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCc1ccc2c(c1)CCO2	ZINC000074626551	542105058	/nfs/dbraw/zinc/10/50/58/542105058.db2.gz	JPNILFAJQVMRRV-UHFFFAOYSA-N	-1	3	365.433	2.090	20	30		FEEDHM
CCC[C@@H](C#N)[N-]S(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1	ZINC000092351544	542859151	/nfs/dbraw/zinc/85/91/51/542859151.db2.gz	MTUNCXMAQOUMEK-LBPRGKRZSA-N	-1	3	371.528	2.423	20	30		FEEDHM
Cc1nc(C)c(CCC(=O)N[C@@](C)(C#N)CCc2ccccc2)c(=O)[n-]1	ZINC000110843135	543369866	/nfs/dbraw/zinc/36/98/66/543369866.db2.gz	VKIXXSCULIBFNP-HXUWFJFHSA-N	-1	3	352.438	2.351	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(-c2nc(C3CCOCC3)no2)ccc1F	ZINC000113755354	543495622	/nfs/dbraw/zinc/49/56/22/543495622.db2.gz	WFGCULGJJIXQCV-UHFFFAOYSA-N	-1	3	367.402	2.234	20	30		FEEDHM
CC[C@@H](C)[C@H]([N-]S(C)(=O)=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1	ZINC000114233555	543508732	/nfs/dbraw/zinc/50/87/32/543508732.db2.gz	ISUVIYKWDMKCQP-DOMZBBRYSA-N	-1	3	351.472	2.390	20	30		FEEDHM
COc1ccc([O-])c(C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)c1	ZINC000123511271	543766574	/nfs/dbraw/zinc/76/65/74/543766574.db2.gz	ZPKBYFBHDKVLQI-SFHVURJKSA-N	-1	3	351.406	2.423	20	30		FEEDHM
C[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CN1C1CC1	ZINC000124010379	543796162	/nfs/dbraw/zinc/79/61/62/543796162.db2.gz	GCABBARAYGEKBL-PWSUYJOCSA-N	-1	3	373.400	2.481	20	30		FEEDHM
CC(C)[C@@H]([N-]S(=O)(=O)c1ccccc1C#N)c1nnc2ccccn21	ZINC000126082873	543916973	/nfs/dbraw/zinc/91/69/73/543916973.db2.gz	MEVUDRLOHQDLDP-MRXNPFEDSA-N	-1	3	355.423	2.277	20	30		FEEDHM
CC[S@@](=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(F)cc2C#N)C1	ZINC000125694729	543897139	/nfs/dbraw/zinc/89/71/39/543897139.db2.gz	MPASFQJQDJQOEP-VVYDWRJNSA-N	-1	3	358.460	2.055	20	30		FEEDHM
N#Cc1cc(F)ccc1S(=O)(=O)[N-]Cc1cccc2c1OCCCO2	ZINC000127940767	544023035	/nfs/dbraw/zinc/02/30/35/544023035.db2.gz	CKEDHLMYHTWJDV-UHFFFAOYSA-N	-1	3	362.382	2.337	20	30		FEEDHM
N#Cc1ccsc1C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1	ZINC000133015934	544252447	/nfs/dbraw/zinc/25/24/47/544252447.db2.gz	OZYXZVRUJQIFND-UHFFFAOYSA-N	-1	3	365.411	2.452	20	30		FEEDHM
C[C@@H](C#N)CN(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1	ZINC000148102640	544448341	/nfs/dbraw/zinc/44/83/41/544448341.db2.gz	VBAUBSCJUMPJKZ-NSHDSACASA-N	-1	3	364.402	2.186	20	30		FEEDHM
C#C[C@@H](C)Oc1ccc(COC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C)cc1	ZINC000802811534	674199629	/nfs/dbraw/zinc/19/96/29/674199629.db2.gz	JWFXHVQXUAMNJK-CJNGLKHVSA-N	-1	3	367.467	2.094	20	30		FEEDHM
COc1cccc(C[N-]S(=O)(=O)c2ccc(C#N)cc2F)c1OC	ZINC000151085132	544504291	/nfs/dbraw/zinc/50/42/91/544504291.db2.gz	MJXYDUFZDFNLIB-UHFFFAOYSA-N	-1	3	350.371	2.193	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCO[C@]3(CCSC3)C2)c(F)c1	ZINC000153008635	544722298	/nfs/dbraw/zinc/72/22/98/544722298.db2.gz	QXFPASWDXXZFPU-SWLSCSKDSA-N	-1	3	356.444	2.030	20	30		FEEDHM
C=C(C)CNC(=O)c1c[n-]c2ccc(I)cc2c1=O	ZINC000153031761	544725088	/nfs/dbraw/zinc/72/50/88/544725088.db2.gz	YGSDTMPGDKQSEW-UHFFFAOYSA-N	-1	3	368.174	2.439	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]Cc2cccnc2-n2ccnc2)c(Cl)c1	ZINC000183474173	327820197	/nfs/dbraw/zinc/82/01/97/327820197.db2.gz	JLVGHBNROWUGFI-UHFFFAOYSA-N	-1	3	373.825	2.271	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C(=O)N1CCCC[C@H]1C	ZINC000184305190	327861113	/nfs/dbraw/zinc/86/11/13/327861113.db2.gz	CZKUPGPHBAQRDG-NEPJUHHUSA-N	-1	3	369.874	2.279	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC([C@@H]2CCCO2)CC1	ZINC000187605489	328035591	/nfs/dbraw/zinc/03/55/91/328035591.db2.gz	FOLBGUWGSXPNHD-SFHVURJKSA-N	-1	3	357.454	2.214	20	30		FEEDHM
Cc1ccccc1C[C@@H](CO)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl	ZINC000188287050	328078403	/nfs/dbraw/zinc/07/84/03/328078403.db2.gz	JVGPIAHQVILSCY-HNNXBMFYSA-N	-1	3	364.854	2.402	20	30		FEEDHM
CCO[C@@H]1C[C@](O)(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)C1(C)C	ZINC000188480344	328089754	/nfs/dbraw/zinc/08/97/54/328089754.db2.gz	JIOMMONTKINOOR-ZBFHGGJFSA-N	-1	3	372.874	2.056	20	30		FEEDHM
Cc1cn2c(n1)CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)C2	ZINC000090168839	325355705	/nfs/dbraw/zinc/35/57/05/325355705.db2.gz	SWTUVTUXMBSYRX-CYBMUJFWSA-N	-1	3	350.831	2.010	20	30		FEEDHM
Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)Nc1ccc(F)c(C#N)c1	ZINC000102879601	325500647	/nfs/dbraw/zinc/50/06/47/325500647.db2.gz	AERHXSDAXHEPKJ-UHFFFAOYSA-N	-1	3	363.352	2.332	20	30		FEEDHM
N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CCCOCC1CCOCC1	ZINC000120696362	326279693	/nfs/dbraw/zinc/27/96/93/326279693.db2.gz	TYRDPJUJKQLNNO-UHFFFAOYSA-N	-1	3	372.874	2.323	20	30		FEEDHM
C[C@@H](O)C[C@@H](C)C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000120826082	326291172	/nfs/dbraw/zinc/29/11/72/326291172.db2.gz	XYMJDBYBIFSTFL-NXEZZACHSA-N	-1	3	350.362	2.262	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCC[C@H](O)C2)c(C(F)(F)F)c1	ZINC000121847066	326371573	/nfs/dbraw/zinc/37/15/73/326371573.db2.gz	HFGBUMVIVKXVJO-NEPJUHHUSA-N	-1	3	362.373	2.406	20	30		FEEDHM
N#Cc1cc(F)ccc1S(=O)(=O)[N-]Cc1cccnc1OCC(F)F	ZINC000121944320	326377121	/nfs/dbraw/zinc/37/71/21/326377121.db2.gz	SZBXIHXVLFBRML-UHFFFAOYSA-N	-1	3	371.340	2.215	20	30		FEEDHM
N#Cc1cc(NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)ccc1F	ZINC000171086598	327116710	/nfs/dbraw/zinc/11/67/10/327116710.db2.gz	PTLDYLIBMBUNNU-UHFFFAOYSA-N	-1	3	368.368	2.393	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCSc2ccncc21	ZINC000175724689	327409095	/nfs/dbraw/zinc/40/90/95/327409095.db2.gz	HWOMNBJSXHVBNH-UHFFFAOYSA-N	-1	3	354.435	2.330	20	30		FEEDHM
CC1(C)C[C@@H]([N-]S(=O)(=O)c2cccnc2C#N)c2cc(N)ccc2O1	ZINC000262238430	328853518	/nfs/dbraw/zinc/85/35/18/328853518.db2.gz	OVSKITANCVZGSF-CYBMUJFWSA-N	-1	3	358.423	2.116	20	30		FEEDHM
N#Cc1ccc(CN2CCN(C(=O)NCc3ccc([O-])c(F)c3)CC2)cc1	ZINC000265775374	329159004	/nfs/dbraw/zinc/15/90/04/329159004.db2.gz	JMVYXMSJXUCUNV-UHFFFAOYSA-N	-1	3	368.412	2.430	20	30		FEEDHM
N#Cc1c(Cl)cccc1S(=O)(=O)[N-]Cc1cccc(-c2nc[nH]n2)c1	ZINC000157605154	545760083	/nfs/dbraw/zinc/76/00/83/545760083.db2.gz	ANWWJBDUQIRYAP-UHFFFAOYSA-N	-1	3	373.825	2.475	20	30		FEEDHM
CC(C)NC(=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(F)cc2C#N)C1	ZINC000157643128	545764945	/nfs/dbraw/zinc/76/49/45/545764945.db2.gz	DPWKZAYDSMKJAH-WFASDCNBSA-N	-1	3	367.446	2.059	20	30		FEEDHM
CS[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1	ZINC000157695686	545772538	/nfs/dbraw/zinc/77/25/38/545772538.db2.gz	NNFDGHPGJILXIN-WDEREUQCSA-N	-1	3	355.441	2.419	20	30		FEEDHM
CC(C)C[C@@H]1OCCC[C@@H]1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000478770823	561174552	/nfs/dbraw/zinc/17/45/52/561174552.db2.gz	WFEWAZNTABSNBJ-ZFWWWQNUSA-N	-1	3	367.427	2.338	20	30		FEEDHM
C=CC[C@H](C)[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1Br	ZINC000173165662	546274451	/nfs/dbraw/zinc/27/44/51/546274451.db2.gz	WRJSXVYYLYIZMM-VIFPVBQESA-N	-1	3	362.245	2.479	20	30		FEEDHM
CC(C)(C)c1nnc(C[N-]S(=O)(=O)Cc2ccc(C#N)cc2F)s1	ZINC000480696738	561214599	/nfs/dbraw/zinc/21/45/99/561214599.db2.gz	XITDPLWPMFCUPW-UHFFFAOYSA-N	-1	3	368.459	2.466	20	30		FEEDHM
CC(C)(C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)CN1CCCC1	ZINC000480754646	561216053	/nfs/dbraw/zinc/21/60/53/561216053.db2.gz	DJZBPVNQLNYHRC-UHFFFAOYSA-N	-1	3	357.426	2.237	20	30		FEEDHM
CN(C)[C@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl)c1ccco1	ZINC000183396607	547650838	/nfs/dbraw/zinc/65/08/38/547650838.db2.gz	QFEURENEMGIRBY-CYBMUJFWSA-N	-1	3	353.831	2.386	20	30		FEEDHM
Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)NC[C@@H](C)C#N)cs2)c1	ZINC000183596916	547687308	/nfs/dbraw/zinc/68/73/08/547687308.db2.gz	TUPUYFWPFMWXLI-NSHDSACASA-N	-1	3	358.423	2.228	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C(=O)N1CCCC[C@H]1C	ZINC000183632565	547692136	/nfs/dbraw/zinc/69/21/36/547692136.db2.gz	GNBAQDIJNVELQJ-VXGBXAGGSA-N	-1	3	369.874	2.279	20	30		FEEDHM
C=CCN(CCOC)C(=O)C(=O)[N-]c1scc(C2CC2)c1C(=O)OC	ZINC000484631608	561301693	/nfs/dbraw/zinc/30/16/93/561301693.db2.gz	ZRSGMHWZBURQKQ-UHFFFAOYSA-N	-1	3	366.439	2.012	20	30		FEEDHM
COC(=O)C[C@@](C)([N-]S(=O)(=O)c1cc(C#N)ccc1C)c1ccccn1	ZINC000485455564	561319473	/nfs/dbraw/zinc/31/94/73/561319473.db2.gz	ZOMGUGGONKERRB-GOSISDBHSA-N	-1	3	373.434	2.019	20	30		FEEDHM
CN(C)C(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C#N)nc2)c1	ZINC000195441990	548640000	/nfs/dbraw/zinc/64/00/00/548640000.db2.gz	IRKJFRDBGQZRRS-UHFFFAOYSA-N	-1	3	364.814	2.109	20	30		FEEDHM
N#Cc1ccc(C(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)s1	ZINC000487584766	561372304	/nfs/dbraw/zinc/37/23/04/561372304.db2.gz	ATZGIHNWVSWDNA-UHFFFAOYSA-N	-1	3	365.411	2.452	20	30		FEEDHM
C#CCCCCNC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1	ZINC000268172487	550037674	/nfs/dbraw/zinc/03/76/74/550037674.db2.gz	GWAYRYBGIUEONC-UHFFFAOYSA-N	-1	3	353.444	2.382	20	30		FEEDHM
CC[C@H](CC#N)[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1	ZINC000273961781	550517028	/nfs/dbraw/zinc/51/70/28/550517028.db2.gz	OWMGCMIUHYWOAB-SECBINFHSA-N	-1	3	362.205	2.328	20	30		FEEDHM
CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H](CC)CC#N)cc1	ZINC000273811837	550512088	/nfs/dbraw/zinc/51/20/88/550512088.db2.gz	AWBYQFJDNSCYCW-ZDUSSCGKSA-N	-1	3	373.500	2.199	20	30		FEEDHM
CC[C@H](CC#N)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br	ZINC000273961977	550517516	/nfs/dbraw/zinc/51/75/16/550517516.db2.gz	PCMVLBKWFQNGHB-MRVPVSSYSA-N	-1	3	362.205	2.328	20	30		FEEDHM
COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@@]2(C#N)CCC[C@@H](C)C2)s1	ZINC000274754360	550552296	/nfs/dbraw/zinc/55/22/96/550552296.db2.gz	PCPHCTDBTHWNEO-BMIGLBTASA-N	-1	3	372.468	2.294	20	30		FEEDHM
C#CCN(C(=O)C(=O)[N-]c1scc(CC(C)C)c1C(=O)OC)C1CC1	ZINC000276106165	550576711	/nfs/dbraw/zinc/57/67/11/550576711.db2.gz	GMZDEGHHBBOCGY-UHFFFAOYSA-N	-1	3	362.451	2.296	20	30		FEEDHM
C#CCC1(C(=O)NCC[N-]S(=O)(=O)c2cccs2)CCCCC1	ZINC000276265163	550577986	/nfs/dbraw/zinc/57/79/86/550577986.db2.gz	BUEKUOZBOJJJHD-UHFFFAOYSA-N	-1	3	354.497	2.116	20	30		FEEDHM
CC[C@@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2ccc(F)c(C#N)c2)n[nH]1	ZINC000276813473	550599070	/nfs/dbraw/zinc/59/90/70/550599070.db2.gz	HPENIGOVPNSEJL-NXEZZACHSA-N	-1	3	351.407	2.368	20	30		FEEDHM
COc1ccc([C@H](OC)[C@@H](C)[N-]S(=O)(=O)c2cccnc2C#N)cc1	ZINC000276937661	550613087	/nfs/dbraw/zinc/61/30/87/550613087.db2.gz	AKTLRDWPZSZMIW-SJKOYZFVSA-N	-1	3	361.423	2.016	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-][C@H](C[C@H]1CCOC1)c1ccccc1	ZINC000276970107	550616598	/nfs/dbraw/zinc/61/65/98/550616598.db2.gz	DOJISWOHPQAUTF-GDBMZVCRSA-N	-1	3	357.435	2.399	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-]Cc1cccc(NC(=O)C2CCC2)c1	ZINC000277110716	550633415	/nfs/dbraw/zinc/63/34/15/550633415.db2.gz	XXBIPEPOZGLJFS-UHFFFAOYSA-N	-1	3	370.434	2.170	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-][C@H]1CCO[C@@H]1c1ccc(Cl)cc1	ZINC000277188219	550641538	/nfs/dbraw/zinc/64/15/38/550641538.db2.gz	OJKLOIHOQVTFTN-XJKSGUPXSA-N	-1	3	363.826	2.415	20	30		FEEDHM
C=C(C)[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1Cl	ZINC000280756815	551028906	/nfs/dbraw/zinc/02/89/06/551028906.db2.gz	MYPHVIBUBMVCIN-WFASDCNBSA-N	-1	3	373.858	2.386	20	30		FEEDHM
C[C@H](CN(C)c1nc2c(c(C#N)c1C#N)CCCCCC2)c1nnn[n-]1	ZINC000281543793	551111468	/nfs/dbraw/zinc/11/14/68/551111468.db2.gz	SFHWKHCAZVAYLL-GFCCVEGCSA-N	-1	3	350.430	2.237	20	30		FEEDHM
C[C@H](CN(C)c1nc2c(c(C#N)c1C#N)CCCCCC2)c1nn[n-]n1	ZINC000281543793	551111470	/nfs/dbraw/zinc/11/14/70/551111470.db2.gz	SFHWKHCAZVAYLL-GFCCVEGCSA-N	-1	3	350.430	2.237	20	30		FEEDHM
C=C[C@](C)(CCOC)C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1	ZINC000281577017	551115337	/nfs/dbraw/zinc/11/53/37/551115337.db2.gz	BFLBTUNHDMOBGF-OAHLLOKOSA-N	-1	3	350.381	2.132	20	30		FEEDHM
C=CC[C@@H](CC)NS(=O)(=O)c1ccc([N-]S(=O)(=O)CC)c(F)c1	ZINC000281681739	551130201	/nfs/dbraw/zinc/13/02/01/551130201.db2.gz	YITOJPCRSSEEOO-LLVKDONJSA-N	-1	3	364.464	2.220	20	30		FEEDHM
COC(=O)c1cc(S(=O)(=O)[N-]CC2CCC(C#N)CC2)cc(F)c1F	ZINC000282545017	551244747	/nfs/dbraw/zinc/24/47/47/551244747.db2.gz	NJZSWJZQLVQKHX-UHFFFAOYSA-N	-1	3	372.393	2.360	20	30		FEEDHM
CSC[C@](C)(C#N)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl	ZINC000284940122	551672619	/nfs/dbraw/zinc/67/26/19/551672619.db2.gz	AMTPCGWCIINRIR-LBPRGKRZSA-N	-1	3	363.848	2.480	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCCN(Cc3cccs3)C2)o1	ZINC000286879384	551936096	/nfs/dbraw/zinc/93/60/96/551936096.db2.gz	MTVJUWTWOFDQCQ-ZDUSSCGKSA-N	-1	3	365.480	2.403	20	30		FEEDHM
CC1(C[N-]S(=O)(=O)c2cccc(Br)c2C#N)CCOCC1	ZINC000287630201	552027466	/nfs/dbraw/zinc/02/74/66/552027466.db2.gz	BJHZKJKELCXGND-UHFFFAOYSA-N	-1	3	373.272	2.416	20	30		FEEDHM
C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cccc(Br)c2C#N)CCO1	ZINC000287944227	552066276	/nfs/dbraw/zinc/06/62/76/552066276.db2.gz	WAVVHVWLIZICFO-NXEZZACHSA-N	-1	3	359.245	2.167	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1COc2ccc(F)cc2C1	ZINC000290712759	552524670	/nfs/dbraw/zinc/52/46/70/552524670.db2.gz	RGRLJMHCQBZALR-HNNXBMFYSA-N	-1	3	369.396	2.467	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-][C@H](c1ccccc1)C1(CO)CCC1	ZINC000292501279	552732670	/nfs/dbraw/zinc/73/26/70/552732670.db2.gz	FZFWUUCEWYHSRS-QGZVFWFLSA-N	-1	3	357.435	2.135	20	30		FEEDHM
Cc1ccc2nc(CNC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)cn2c1	ZINC000298945559	553493353	/nfs/dbraw/zinc/49/33/53/553493353.db2.gz	JFHCMXSTXMJYRM-UHFFFAOYSA-N	-1	3	363.421	2.481	20	30		FEEDHM
CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)CC2(C#N)CCCCC2)[C@@]12CCCO2	ZINC000330034848	554052715	/nfs/dbraw/zinc/05/27/15/554052715.db2.gz	WUORWEAHAFPYQD-INMHGKMJSA-N	-1	3	356.488	2.106	20	30		FEEDHM
N#CC1(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)CCCCC1	ZINC000330415283	554118695	/nfs/dbraw/zinc/11/86/95/554118695.db2.gz	NPYCXTCJIDJXEV-UHFFFAOYSA-N	-1	3	361.876	2.022	20	30		FEEDHM
COCC[C@](C)(C#N)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F	ZINC000508066907	561749831	/nfs/dbraw/zinc/74/98/31/561749831.db2.gz	FVEHDURGGGCUGZ-GFCCVEGCSA-N	-1	3	354.325	2.442	20	30		FEEDHM
C[C@H](CC#N)N(C)S(=O)(=O)[N-][C@@H](C(=O)OC(C)(C)C)c1ccccc1	ZINC000509190046	561789233	/nfs/dbraw/zinc/78/92/33/561789233.db2.gz	LJCFANKJJAQGQM-UKRRQHHQSA-N	-1	3	367.471	2.138	20	30		FEEDHM
CCOC(=O)c1nnc(-c2cccc(CNC(=O)c3ccc(C#N)o3)c2)[n-]1	ZINC000509222873	561791086	/nfs/dbraw/zinc/79/10/86/561791086.db2.gz	DXGIVJNTAFXVMX-UHFFFAOYSA-N	-1	3	365.349	2.043	20	30		FEEDHM
CCOC(=O)c1nc(-c2cccc(CNC(=O)c3ccc(C#N)o3)c2)n[n-]1	ZINC000509222873	561791087	/nfs/dbraw/zinc/79/10/87/561791087.db2.gz	DXGIVJNTAFXVMX-UHFFFAOYSA-N	-1	3	365.349	2.043	20	30		FEEDHM
N#Cc1cc(F)cc(C2(C(=O)NCc3ccc(-c4nnn[n-]4)cc3)CC2)c1	ZINC000510224975	561828910	/nfs/dbraw/zinc/82/89/10/561828910.db2.gz	AWPBACAACNVCLW-UHFFFAOYSA-N	-1	3	362.368	2.225	20	30		FEEDHM
N#Cc1cc(F)cc(C2(C(=O)NCc3ccc(-c4nn[n-]n4)cc3)CC2)c1	ZINC000510224975	561828911	/nfs/dbraw/zinc/82/89/11/561828911.db2.gz	AWPBACAACNVCLW-UHFFFAOYSA-N	-1	3	362.368	2.225	20	30		FEEDHM
CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)NCC(C)(C)C#N)c2)n1	ZINC000510639722	561841817	/nfs/dbraw/zinc/84/18/17/561841817.db2.gz	RKFHKHZCNLKNBN-UHFFFAOYSA-N	-1	3	367.409	2.016	20	30		FEEDHM
COCC[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)C(C)(C)C	ZINC000510646719	561841912	/nfs/dbraw/zinc/84/19/12/561841912.db2.gz	OROZESPZNXJICP-AWEZNQCLSA-N	-1	3	355.416	2.196	20	30		FEEDHM
C=CCn1cccc1-c1nc(-c2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)no1	ZINC000350105920	554760343	/nfs/dbraw/zinc/76/03/43/554760343.db2.gz	DLXDLPRTAYTLMP-LJQANCHMSA-N	-1	3	363.377	2.446	20	30		FEEDHM
N#Cc1cnn(-c2ccc(-c3nc(-c4ccc5n[n-]nc5c4)no3)cc2)c1N	ZINC000350546642	554797214	/nfs/dbraw/zinc/79/72/14/554797214.db2.gz	UGMVLSLNDYIIFX-UHFFFAOYSA-N	-1	3	369.348	2.314	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(-c2cnc3cnccn32)no1	ZINC000350943255	554824593	/nfs/dbraw/zinc/82/45/93/554824593.db2.gz	YWLJMDZXXACVHT-UHFFFAOYSA-N	-1	3	361.365	2.154	20	30		FEEDHM
COc1cccc2c(C(=O)Nc3ccccc3-n3cnc(C#N)n3)[n-]nc21	ZINC000366469613	555852723	/nfs/dbraw/zinc/85/27/23/555852723.db2.gz	WKCAKPYDYUXASG-UHFFFAOYSA-N	-1	3	359.349	2.276	20	30		FEEDHM
COc1cccc2c(C(=O)Nc3ccccc3-n3cnc(C#N)n3)n[n-]c21	ZINC000366469613	555852724	/nfs/dbraw/zinc/85/27/24/555852724.db2.gz	WKCAKPYDYUXASG-UHFFFAOYSA-N	-1	3	359.349	2.276	20	30		FEEDHM
C#Cc1ccc(CN2CCC(n3[n-]cc(C(=O)OCC)c3=N)CC2)cc1	ZINC000367371953	556031005	/nfs/dbraw/zinc/03/10/05/556031005.db2.gz	RCQDZJKMHQTORU-UHFFFAOYSA-N	-1	3	352.438	2.291	20	30		FEEDHM
N#Cc1cc(C(=O)NC2CCN(C(=O)c3cccc([O-])c3)CC2)ccc1F	ZINC000367696478	556117404	/nfs/dbraw/zinc/11/74/04/556117404.db2.gz	HNZJSSHMJGJOEA-UHFFFAOYSA-N	-1	3	367.380	2.438	20	30		FEEDHM
Cn1ccnc1[C@H]([N-]S(=O)(=O)c1ccc(C#N)o1)c1cccc(F)c1	ZINC000367807334	556143851	/nfs/dbraw/zinc/14/38/51/556143851.db2.gz	STIRYIZDBCSGQG-OAHLLOKOSA-N	-1	3	360.370	2.092	20	30		FEEDHM
COc1ccccc1N1CC[C@@H]([N-]S(=O)(=O)c2ccc(C#N)s2)C1	ZINC000368536185	556338455	/nfs/dbraw/zinc/33/84/55/556338455.db2.gz	DELYYKNSJWILNT-GFCCVEGCSA-N	-1	3	363.464	2.186	20	30		FEEDHM
C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)C[C@H](OC)C2CC2)cc1	ZINC000519713471	562141119	/nfs/dbraw/zinc/14/11/19/562141119.db2.gz	NCWAXEZMQQMEOL-HNNXBMFYSA-N	-1	3	353.444	2.161	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-]C1CCN(Cc2ccccc2F)CC1	ZINC000372990181	557604758	/nfs/dbraw/zinc/60/47/58/557604758.db2.gz	OKSPPMZNTOBXAH-UHFFFAOYSA-N	-1	3	374.441	2.035	20	30		FEEDHM
Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccn(C2CCN(C)CC2)n1	ZINC000373201815	557649171	/nfs/dbraw/zinc/64/91/71/557649171.db2.gz	GFCCFYJUTDPIIE-UHFFFAOYSA-N	-1	3	359.455	2.131	20	30		FEEDHM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-]	ZINC000373827279	557767820	/nfs/dbraw/zinc/76/78/20/557767820.db2.gz	TYGOHZHEEAWIFK-KYJSFNMBSA-N	-1	3	358.438	2.094	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H](C3CC3)C2)ccc1F	ZINC000374293158	557859799	/nfs/dbraw/zinc/85/97/99/557859799.db2.gz	GRHTZQVTMFIBIX-AWEZNQCLSA-N	-1	3	352.431	2.162	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-]Cc1cccc(-c2ccccn2)c1	ZINC000375437119	558027048	/nfs/dbraw/zinc/02/70/48/558027048.db2.gz	NDZAXQNTTFKQDD-UHFFFAOYSA-N	-1	3	350.403	2.494	20	30		FEEDHM
N#CC1([N-]S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)CCCCC1	ZINC000408246000	558660413	/nfs/dbraw/zinc/66/04/13/558660413.db2.gz	IDGSUTKPRQPELP-UHFFFAOYSA-N	-1	3	351.403	2.215	20	30		FEEDHM
COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1	ZINC000415443649	559237543	/nfs/dbraw/zinc/23/75/43/559237543.db2.gz	DQMMADRVMCIOGW-QWHCGFSZSA-N	-1	3	367.361	2.202	20	30		FEEDHM
C[C@@]1(CO)CCC[C@@H]1[N-]S(=O)(=O)c1cc(Br)ccc1C#N	ZINC000416405944	559310553	/nfs/dbraw/zinc/31/05/53/559310553.db2.gz	DBWFJUXTFOUBIA-KBPBESRZSA-N	-1	3	373.272	2.150	20	30		FEEDHM
N#Cc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CCC[C@H]1CCO	ZINC000416469704	559315500	/nfs/dbraw/zinc/31/55/00/559315500.db2.gz	DUCQREVXNPFABY-GXFFZTMASA-N	-1	3	373.272	2.150	20	30		FEEDHM
CC[C@@H](O)[C@H](CC)[N-]S(=O)(=O)c1cc(Br)ccc1C#N	ZINC000416497385	559317716	/nfs/dbraw/zinc/31/77/16/559317716.db2.gz	SUAOGEMVEXOSCO-NWDGAFQWSA-N	-1	3	361.261	2.149	20	30		FEEDHM
C=CCCn1cc(C(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)nn1	ZINC000424557770	559669301	/nfs/dbraw/zinc/66/93/01/559669301.db2.gz	IXMVTINVOZRNFN-UHFFFAOYSA-N	-1	3	369.425	2.051	20	30		FEEDHM
C=C(C)COc1cc(CN[C@H](Cn2cc(C)cn2)C(=O)[O-])ccc1OC	ZINC000426721092	559740994	/nfs/dbraw/zinc/74/09/94/559740994.db2.gz	QYHGYIJRYDEBKI-MRXNPFEDSA-N	-1	3	359.426	2.398	20	30		FEEDHM
COC(=O)c1ncccc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C	ZINC000427339841	559753778	/nfs/dbraw/zinc/75/37/78/559753778.db2.gz	POXZWSPDKDJEFQ-UHFFFAOYSA-N	-1	3	354.366	2.029	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-]CCc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000428414483	559774987	/nfs/dbraw/zinc/77/49/87/559774987.db2.gz	QBPFRPZPHDUBGG-UHFFFAOYSA-N	-1	3	366.786	2.036	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)c1cccnc1C#N)c1cnn(Cc2ccccc2)c1	ZINC000428418053	559775134	/nfs/dbraw/zinc/77/51/34/559775134.db2.gz	DRYMDEUVBSIDHZ-AWEZNQCLSA-N	-1	3	367.434	2.238	20	30		FEEDHM
Cc1cc[nH]c2nc(C(C#N)=C([O-])c3c[nH]c(C(=O)N4CCCC4)c3)nc1-2	ZINC000429599066	559802084	/nfs/dbraw/zinc/80/20/84/559802084.db2.gz	QXPCMBVNGPOXBA-CYBMUJFWSA-N	-1	3	362.393	2.321	20	30		FEEDHM
COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](C)C#N)ccc2C)cc1	ZINC000432198255	559854007	/nfs/dbraw/zinc/85/40/07/559854007.db2.gz	LOYPDUAODDOIRU-ZDUSSCGKSA-N	-1	3	373.434	2.446	20	30		FEEDHM
CN(C)c1cc(C#N)cc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)c1	ZINC000432596949	559861497	/nfs/dbraw/zinc/86/14/97/559861497.db2.gz	JSMPEEORGPPWFS-UHFFFAOYSA-N	-1	3	358.423	2.248	20	30		FEEDHM
C/C=C/C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)C(=O)OCC	ZINC000433880471	559889648	/nfs/dbraw/zinc/88/96/48/559889648.db2.gz	AITDXJNWJPZKDC-MASHWEEQSA-N	-1	3	356.831	2.388	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCN(c3c(F)cccc3F)C2)s1	ZINC000435430556	559922726	/nfs/dbraw/zinc/92/27/26/559922726.db2.gz	CPMXITMJWZXYKA-SNVBAGLBSA-N	-1	3	369.418	2.455	20	30		FEEDHM
CCC[C@H]([N-]S(=O)(=O)c1ccc(C#N)s1)c1nnc2ccccn21	ZINC000435436401	559923051	/nfs/dbraw/zinc/92/30/51/559923051.db2.gz	FVEXHUCMEZKSDZ-LBPRGKRZSA-N	-1	3	361.452	2.482	20	30		FEEDHM
C=CCOC[C@H](NC(=O)c1c[n-]nc1-c1ccc(Cl)s1)C(=O)OC	ZINC000435947292	559932924	/nfs/dbraw/zinc/93/29/24/559932924.db2.gz	DNHMPTJVOHTWFR-JTQLQIEISA-N	-1	3	369.830	2.266	20	30		FEEDHM
C=CCN(C(=O)c1ccc(O)cc1[O-])[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000436695778	559949133	/nfs/dbraw/zinc/94/91/33/559949133.db2.gz	FVPVBEDVXBHGGL-CYBMUJFWSA-N	-1	3	365.393	2.463	20	30		FEEDHM
Cc1ccc(C(=O)N2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)c([O-])c1C	ZINC000436744953	559950762	/nfs/dbraw/zinc/95/07/62/559950762.db2.gz	RHHPGANPXGGBBB-SZNDQCEHSA-N	-1	3	361.401	2.495	20	30		FEEDHM
C=CCOC[C@H](NC(=O)c1cc(Cc2ccccc2)ccc1[O-])C(=O)OC	ZINC000436995252	559958923	/nfs/dbraw/zinc/95/89/23/559958923.db2.gz	QFRYVPOOVIUHRP-SFHVURJKSA-N	-1	3	369.417	2.457	20	30		FEEDHM
CN(C)[C@H](C[N-]S(=O)(=O)Cc1ccc(C#N)cc1F)c1ccco1	ZINC000440058047	560003929	/nfs/dbraw/zinc/00/39/29/560003929.db2.gz	BJNOMLFMULEQQW-OAHLLOKOSA-N	-1	3	351.403	2.013	20	30		FEEDHM
CCC(CC)[C@@H](C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)N(C)C	ZINC000440070865	560004188	/nfs/dbraw/zinc/00/41/88/560004188.db2.gz	AGJTWLMHVFXZJQ-OAHLLOKOSA-N	-1	3	359.442	2.481	20	30		FEEDHM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]CCCc1ccc(O)cc1	ZINC000443268144	560076908	/nfs/dbraw/zinc/07/69/08/560076908.db2.gz	FRMGTMDXDDQLAL-UHFFFAOYSA-N	-1	3	361.379	2.083	20	30		FEEDHM
CCN(CC)c1[nH]nc([N-]S(=O)(=O)Cc2ccc(F)cc2)c1C#N	ZINC000444061400	560100515	/nfs/dbraw/zinc/10/05/15/560100515.db2.gz	BKGDUDDAECFSEE-UHFFFAOYSA-N	-1	3	351.407	2.209	20	30		FEEDHM
C[C@@](O)(C[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(F)c1)C(F)(F)F	ZINC000447873356	560171787	/nfs/dbraw/zinc/17/17/87/560171787.db2.gz	RFAJRNOEJBKVAL-SECBINFHSA-N	-1	3	369.258	2.436	20	30		FEEDHM
C=CCCS(=O)(=O)[N-]Cc1noc(-c2cccc(Br)c2)n1	ZINC000447940545	560174053	/nfs/dbraw/zinc/17/40/53/560174053.db2.gz	IAMACSMPVZIZOC-UHFFFAOYSA-N	-1	3	372.244	2.495	20	30		FEEDHM
COc1ncnc(N(C)C)c1[N-]C(=O)c1cc(-c2cccc(C#N)c2)no1	ZINC000448254376	560181614	/nfs/dbraw/zinc/18/16/14/560181614.db2.gz	DFXJYTFTSCTTFU-UHFFFAOYSA-N	-1	3	364.365	2.330	20	30		FEEDHM
CCc1[n-][nH]c(=NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)c1C	ZINC000449849593	560242601	/nfs/dbraw/zinc/24/26/01/560242601.db2.gz	JXQSGIHMLXNERJ-LBPRGKRZSA-N	-1	3	371.828	2.797	20	30		FEEDHM
N#C[C@H]1CN(C(=O)Cc2ccc([O-])c(F)c2)CCN1Cc1ccccc1	ZINC000449872518	560243591	/nfs/dbraw/zinc/24/35/91/560243591.db2.gz	QXRWREJQGYWTOQ-KRWDZBQOSA-N	-1	3	353.397	2.310	20	30		FEEDHM
CC[C@H](O)[C@H](CC)[N-]S(=O)(=O)c1cccc(Br)c1C#N	ZINC000451976326	560341704	/nfs/dbraw/zinc/34/17/04/560341704.db2.gz	BEHJPMQQCNMPRI-RYUDHWBXSA-N	-1	3	361.261	2.149	20	30		FEEDHM
C=CCC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)C(=O)OCC	ZINC000452003445	560344579	/nfs/dbraw/zinc/34/45/79/560344579.db2.gz	ZHDYTLQWRAXEBE-ZDUSSCGKSA-N	-1	3	356.831	2.388	20	30		FEEDHM
C=C(CC)CNS(=O)(=O)c1ccc([N-]S(=O)(=O)C(C)C)c(F)c1	ZINC000452039552	560347084	/nfs/dbraw/zinc/34/70/84/560347084.db2.gz	HGKVLJMRHVIIKM-UHFFFAOYSA-N	-1	3	364.464	2.220	20	30		FEEDHM
COC(=O)[C@H](C[C@@H]1CCCc2ccccc21)[N-]S(=O)(=O)CCCC#N	ZINC000460922585	560755894	/nfs/dbraw/zinc/75/58/94/560755894.db2.gz	BMHVMEGSPASRCB-RDJZCZTQSA-N	-1	3	364.467	2.261	20	30		FEEDHM
CO[C@H](CCNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C(F)(F)F	ZINC000469936066	560969298	/nfs/dbraw/zinc/96/92/98/560969298.db2.gz	SJDIZJOEHSUKJG-CYBMUJFWSA-N	-1	3	359.348	2.292	20	30		FEEDHM
CCc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)N(C)CCC#N)n2)cc1	ZINC000471874605	561013446	/nfs/dbraw/zinc/01/34/46/561013446.db2.gz	HQZXAXNAZGSZAM-LBPRGKRZSA-N	-1	3	363.443	2.040	20	30		FEEDHM
N#CC1(CS(=O)(=O)[N-]C[C@H](c2ccco2)N2CCCCC2)CCC1	ZINC000474573396	561077186	/nfs/dbraw/zinc/07/71/86/561077186.db2.gz	FXPSDGXTZFXKSI-OAHLLOKOSA-N	-1	3	351.472	2.420	20	30		FEEDHM
N#Cc1cccc(CC(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)c1	ZINC000531390907	562444515	/nfs/dbraw/zinc/44/45/15/562444515.db2.gz	IDJLAYNLPKZTGT-UHFFFAOYSA-N	-1	3	373.409	2.319	20	30		FEEDHM
C=C(C)COCCNC(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1	ZINC000534714831	562540956	/nfs/dbraw/zinc/54/09/56/562540956.db2.gz	BSRNYDDCWNJYAV-UHFFFAOYSA-N	-1	3	361.442	2.345	20	30		FEEDHM
CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(-n3ccnn3)cc2)n1	ZINC000534839365	562543513	/nfs/dbraw/zinc/54/35/13/562543513.db2.gz	IFJQFLADIDPVJR-ZDUSSCGKSA-N	-1	3	367.390	2.391	20	30		FEEDHM
CCn1cnc(S(=O)(=O)[N-][C@@H](C#N)c2cccc(C(F)(F)F)c2)c1	ZINC000536126529	562572969	/nfs/dbraw/zinc/57/29/69/562572969.db2.gz	SFQGJRAGWMJJAW-LBPRGKRZSA-N	-1	3	358.345	2.465	20	30		FEEDHM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H](c1cccnc1)C1CC1	ZINC000536158444	562573307	/nfs/dbraw/zinc/57/33/07/562573307.db2.gz	VGMDYMRTCUJHCL-INIZCTEOSA-N	-1	3	358.379	2.291	20	30		FEEDHM
C[C@@]1(CO)CCC[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000536153818	562573372	/nfs/dbraw/zinc/57/33/72/562573372.db2.gz	AFPHCLURMZFNJY-KBPBESRZSA-N	-1	3	362.373	2.406	20	30		FEEDHM
Cc1nc(-c2nc(-c3cccc([C@@]4(C)NC(=O)[N-]C4=O)c3)no2)ccc1C#N	ZINC000546365634	562636523	/nfs/dbraw/zinc/63/65/23/562636523.db2.gz	JLRLYPVBYDNKDB-LJQANCHMSA-N	-1	3	374.360	2.033	20	30		FEEDHM
CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N(C)[C@@H]1CCC[C@H]1C#N	ZINC000602073947	567916742	/nfs/dbraw/zinc/91/67/42/567916742.db2.gz	HOMSDTBMSYLSFD-NWDGAFQWSA-N	-1	3	363.439	2.322	20	30		FEEDHM
COC(=O)c1sc2[n-]c(CN(C)[C@@H]3CCC[C@@H]3C#N)nc(=O)c2c1C	ZINC000602977506	568036334	/nfs/dbraw/zinc/03/63/34/568036334.db2.gz	CDQUVTRVOQUXLR-GHMZBOCLSA-N	-1	3	360.439	2.204	20	30		FEEDHM
C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1	ZINC000736187774	598919624	/nfs/dbraw/zinc/91/96/24/598919624.db2.gz	IURNBTKRBWGBNV-LLVKDONJSA-N	-1	3	359.349	2.016	20	30		FEEDHM
C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1	ZINC000736187774	598919626	/nfs/dbraw/zinc/91/96/26/598919626.db2.gz	IURNBTKRBWGBNV-LLVKDONJSA-N	-1	3	359.349	2.016	20	30		FEEDHM
Cc1ccn(-c2ccc(C(=O)Nc3ccc(C#N)c(-c4nnn[n-]4)c3)cc2)n1	ZINC000737437886	598922716	/nfs/dbraw/zinc/92/27/16/598922716.db2.gz	ZUXQYEAUSMYPKD-UHFFFAOYSA-N	-1	3	370.376	2.485	20	30		FEEDHM
Cc1ccn(-c2ccc(C(=O)Nc3ccc(C#N)c(-c4nn[n-]n4)c3)cc2)n1	ZINC000737437886	598922718	/nfs/dbraw/zinc/92/27/18/598922718.db2.gz	ZUXQYEAUSMYPKD-UHFFFAOYSA-N	-1	3	370.376	2.485	20	30		FEEDHM
Cc1c(C(=O)C=Cc2cnc3ccccn23)c(-c2nnn[n-]2)c2n1CCC2	ZINC000737204258	598936730	/nfs/dbraw/zinc/93/67/30/598936730.db2.gz	YOUUQSVDTJJQPL-BQYQJAHWSA-N	-1	3	359.393	2.467	20	30		FEEDHM
Cc1c(C(=O)C=Cc2cnc3ccccn23)c(-c2nn[n-]n2)c2n1CCC2	ZINC000737204258	598936732	/nfs/dbraw/zinc/93/67/32/598936732.db2.gz	YOUUQSVDTJJQPL-BQYQJAHWSA-N	-1	3	359.393	2.467	20	30		FEEDHM
COc1ccc2c(c1)C(=NNCc1ccc(-c3nnn[n-]3)cc1)CCO2	ZINC000821849476	607254098	/nfs/dbraw/zinc/25/40/98/607254098.db2.gz	JUBXPVCHOIJNLX-UHFFFAOYSA-N	-1	3	350.382	2.152	20	30		FEEDHM
COc1ccc2c(c1)C(=NNCc1ccc(-c3nn[n-]n3)cc1)CCO2	ZINC000821849476	607254099	/nfs/dbraw/zinc/25/40/99/607254099.db2.gz	JUBXPVCHOIJNLX-UHFFFAOYSA-N	-1	3	350.382	2.152	20	30		FEEDHM
C=C(C)COc1cccc(N[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)c1	ZINC000735402303	599096779	/nfs/dbraw/zinc/09/67/79/599096779.db2.gz	QBWMPDRMWZUGLK-QGZVFWFLSA-N	-1	3	364.409	2.460	20	30		FEEDHM
C=C(C)COc1cccc(N[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)c1	ZINC000735402303	599096782	/nfs/dbraw/zinc/09/67/82/599096782.db2.gz	QBWMPDRMWZUGLK-QGZVFWFLSA-N	-1	3	364.409	2.460	20	30		FEEDHM
COC(=O)[C@@H](Sc1cc(-c2nnn[n-]2)ccn1)c1ccc(C#N)cc1	ZINC000736903310	599113760	/nfs/dbraw/zinc/11/37/60/599113760.db2.gz	ZMLFPCVJSYIZOF-AWEZNQCLSA-N	-1	3	352.379	2.140	20	30		FEEDHM
COC(=O)[C@@H](Sc1cc(-c2nn[n-]n2)ccn1)c1ccc(C#N)cc1	ZINC000736903310	599113762	/nfs/dbraw/zinc/11/37/62/599113762.db2.gz	ZMLFPCVJSYIZOF-AWEZNQCLSA-N	-1	3	352.379	2.140	20	30		FEEDHM
COCCN(C(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccc(C#N)cc1	ZINC000736989141	599116005	/nfs/dbraw/zinc/11/60/05/599116005.db2.gz	RQUBJGRADLYWFS-DHZHZOJOSA-N	-1	3	374.404	2.431	20	30		FEEDHM
COCCN(C(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccc(C#N)cc1	ZINC000736989141	599116007	/nfs/dbraw/zinc/11/60/07/599116007.db2.gz	RQUBJGRADLYWFS-DHZHZOJOSA-N	-1	3	374.404	2.431	20	30		FEEDHM
Cc1c(C(=O)C=Cc2csnn2)cnn1-c1ccc(-c2nn[n-]n2)cc1	ZINC000737201318	599157669	/nfs/dbraw/zinc/15/76/69/599157669.db2.gz	CHKNZTUKMBAIEG-QPJJXVBHSA-N	-1	3	364.394	2.108	20	30		FEEDHM
N#Cc1ccnc(SCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c1	ZINC000737727958	599165153	/nfs/dbraw/zinc/16/51/53/599165153.db2.gz	VHJOOFAQWHFEBW-UHFFFAOYSA-N	-1	3	362.378	2.476	20	30		FEEDHM
N#Cc1ccnc(SCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c1	ZINC000737727958	599165155	/nfs/dbraw/zinc/16/51/55/599165155.db2.gz	VHJOOFAQWHFEBW-UHFFFAOYSA-N	-1	3	362.378	2.476	20	30		FEEDHM
N#Cc1c2[nH]c3ccccc3n2c(=O)cc1CN1CCC[C@H](CC(=O)[O-])C1	ZINC000819084406	597080584	/nfs/dbraw/zinc/08/05/84/597080584.db2.gz	POZNJNBNRQSGKZ-UKRRQHHQSA-N	-1	3	364.405	2.410	20	30		FEEDHM
C=C(C)COc1cccc(NC[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)c1	ZINC000819722766	607315463	/nfs/dbraw/zinc/31/54/63/607315463.db2.gz	QMESSTYSYDBRNJ-CYBMUJFWSA-N	-1	3	366.429	2.172	20	30		FEEDHM
C=C(C)COc1cccc(NC[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)c1	ZINC000819722766	607315464	/nfs/dbraw/zinc/31/54/64/607315464.db2.gz	QMESSTYSYDBRNJ-CYBMUJFWSA-N	-1	3	366.429	2.172	20	30		FEEDHM
CCN(CCC#N)C(=O)CSc1ccc(-c2nnn[n-]2)cc1Cl	ZINC000825419181	607843511	/nfs/dbraw/zinc/84/35/11/607843511.db2.gz	JWLKCBGHFYXDGG-UHFFFAOYSA-N	-1	3	350.835	2.374	20	30		FEEDHM
CCN(CCC#N)C(=O)CSc1ccc(-c2nn[n-]n2)cc1Cl	ZINC000825419181	607843512	/nfs/dbraw/zinc/84/35/12/607843512.db2.gz	JWLKCBGHFYXDGG-UHFFFAOYSA-N	-1	3	350.835	2.374	20	30		FEEDHM
CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cccc(C(=O)[O-])c1	ZINC000820539211	598142067	/nfs/dbraw/zinc/14/20/67/598142067.db2.gz	HAPPNJFQFUNHDL-UHFFFAOYSA-N	-1	3	351.406	2.460	20	30		FEEDHM
C=CCNC(=O)NC(=O)[C@H](C)Sc1ccc(-c2nnn[n-]2)cc1Cl	ZINC000823925888	607845083	/nfs/dbraw/zinc/84/50/83/607845083.db2.gz	QCPJAUCFUXBOAN-QMMMGPOBSA-N	-1	3	366.834	2.013	20	30		FEEDHM
C=CCNC(=O)NC(=O)[C@H](C)Sc1ccc(-c2nn[n-]n2)cc1Cl	ZINC000823925888	607845084	/nfs/dbraw/zinc/84/50/84/607845084.db2.gz	QCPJAUCFUXBOAN-QMMMGPOBSA-N	-1	3	366.834	2.013	20	30		FEEDHM
N#Cc1ccnc(N2CCN(c3ccc(-c4nnn[n-]4)c(Cl)c3)CC2)c1	ZINC000737727047	598276047	/nfs/dbraw/zinc/27/60/47/598276047.db2.gz	CQOPQCKZQLLSIA-UHFFFAOYSA-N	-1	3	366.816	2.113	20	30		FEEDHM
N#Cc1ccnc(N2CCN(c3ccc(-c4nn[n-]n4)c(Cl)c3)CC2)c1	ZINC000737727047	598276048	/nfs/dbraw/zinc/27/60/48/598276048.db2.gz	CQOPQCKZQLLSIA-UHFFFAOYSA-N	-1	3	366.816	2.113	20	30		FEEDHM
C=C(Br)CN1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1	ZINC000735398645	598292211	/nfs/dbraw/zinc/29/22/11/598292211.db2.gz	MWXULYQCCAKSOF-UHFFFAOYSA-N	-1	3	367.226	2.036	20	30		FEEDHM
CC(=NNc1ccc(-c2nn[n-]n2)cc1)c1cccc(NS(C)(=O)=O)c1	ZINC000735450817	598295368	/nfs/dbraw/zinc/29/53/68/598295368.db2.gz	DVUUJBPQVCVMCQ-UHFFFAOYSA-N	-1	3	371.426	2.074	20	30		FEEDHM
C=CCCC(=O)O[C@@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2	ZINC000735408542	598358686	/nfs/dbraw/zinc/35/86/86/598358686.db2.gz	NNWFAFZQQSSOOZ-VIFPVBQESA-N	-1	3	361.427	2.253	20	30		FEEDHM
C=CCCC(=O)O[C@@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2	ZINC000735408542	598358688	/nfs/dbraw/zinc/35/86/88/598358688.db2.gz	NNWFAFZQQSSOOZ-VIFPVBQESA-N	-1	3	361.427	2.253	20	30		FEEDHM
CN(C(=O)COc1ccc(-c2nnn[n-]2)c(F)c1)C1(C#N)CCCCC1	ZINC000736737087	598547312	/nfs/dbraw/zinc/54/73/12/598547312.db2.gz	LLZANBFCVFWGIW-UHFFFAOYSA-N	-1	3	358.377	2.069	20	30		FEEDHM
CN(C(=O)COc1ccc(-c2nn[n-]n2)c(F)c1)C1(C#N)CCCCC1	ZINC000736737087	598547314	/nfs/dbraw/zinc/54/73/14/598547314.db2.gz	LLZANBFCVFWGIW-UHFFFAOYSA-N	-1	3	358.377	2.069	20	30		FEEDHM
CCC[C@H](C#N)NC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1	ZINC000736416120	598549706	/nfs/dbraw/zinc/54/97/06/598549706.db2.gz	KVCSQHCJHYBAQZ-CYBMUJFWSA-N	-1	3	366.381	2.461	20	30		FEEDHM
C#CCNC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1	ZINC000735382370	598633279	/nfs/dbraw/zinc/63/32/79/598633279.db2.gz	ZRVKGYJVFZZZJM-UHFFFAOYSA-N	-1	3	366.356	2.340	20	30		FEEDHM
C#CCNC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1	ZINC000735382370	598633280	/nfs/dbraw/zinc/63/32/80/598633280.db2.gz	ZRVKGYJVFZZZJM-UHFFFAOYSA-N	-1	3	366.356	2.340	20	30		FEEDHM
N#Cc1c(F)cccc1N1CCN(c2ccc(F)cc2-c2nnn[n-]2)CC1	ZINC000737704650	598633729	/nfs/dbraw/zinc/63/37/29/598633729.db2.gz	ILNKSHMEDRFCFO-UHFFFAOYSA-N	-1	3	367.363	2.343	20	30		FEEDHM
N#Cc1c(F)cccc1N1CCN(c2ccc(F)cc2-c2nn[n-]n2)CC1	ZINC000737704650	598633731	/nfs/dbraw/zinc/63/37/31/598633731.db2.gz	ILNKSHMEDRFCFO-UHFFFAOYSA-N	-1	3	367.363	2.343	20	30		FEEDHM
N#Cc1cc(F)ccc1CSc1nc(N)c(-c2nnn[n-]2)cc1C#N	ZINC000737703605	598644911	/nfs/dbraw/zinc/64/49/11/598644911.db2.gz	DFZTZHYSASJXJX-UHFFFAOYSA-N	-1	3	352.358	2.019	20	30		FEEDHM
N#Cc1cc(F)ccc1CSc1nc(N)c(-c2nn[n-]n2)cc1C#N	ZINC000737703605	598644913	/nfs/dbraw/zinc/64/49/13/598644913.db2.gz	DFZTZHYSASJXJX-UHFFFAOYSA-N	-1	3	352.358	2.019	20	30		FEEDHM
C#Cc1cccc(N(C)S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)c1	ZINC000735390947	598662457	/nfs/dbraw/zinc/66/24/57/598662457.db2.gz	JEMKRSXLXYMOKQ-UHFFFAOYSA-N	-1	3	373.825	2.327	20	30		FEEDHM
C#Cc1cccc(N(C)S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)c1	ZINC000735390947	598662459	/nfs/dbraw/zinc/66/24/59/598662459.db2.gz	JEMKRSXLXYMOKQ-UHFFFAOYSA-N	-1	3	373.825	2.327	20	30		FEEDHM
C#Cc1cccc(N(C)S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)c1	ZINC000735391472	598662855	/nfs/dbraw/zinc/66/28/55/598662855.db2.gz	TZLSJMKSHKUSGS-UHFFFAOYSA-N	-1	3	373.825	2.327	20	30		FEEDHM
C#Cc1cccc(N(C)S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)c1	ZINC000735391472	598662856	/nfs/dbraw/zinc/66/28/56/598662856.db2.gz	TZLSJMKSHKUSGS-UHFFFAOYSA-N	-1	3	373.825	2.327	20	30		FEEDHM
COC(=O)[C@@H](N[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccc(C#N)cc1	ZINC000821641166	599391670	/nfs/dbraw/zinc/39/16/70/599391670.db2.gz	XGITYVFAPCFWGZ-PXAZEXFGSA-N	-1	3	362.393	2.303	20	30		FEEDHM
COC(=O)[C@@H](N[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccc(C#N)cc1	ZINC000821641166	599391671	/nfs/dbraw/zinc/39/16/71/599391671.db2.gz	XGITYVFAPCFWGZ-PXAZEXFGSA-N	-1	3	362.393	2.303	20	30		FEEDHM
N#Cc1ccc(N2CCN(c3cc(Cl)ccc3-c3nnn[n-]3)CC2)nc1	ZINC000737717460	599414680	/nfs/dbraw/zinc/41/46/80/599414680.db2.gz	DCUCFURRUGNBGD-UHFFFAOYSA-N	-1	3	366.816	2.113	20	30		FEEDHM
N#Cc1ccc(N2CCN(c3cc(Cl)ccc3-c3nn[n-]n3)CC2)nc1	ZINC000737717460	599414682	/nfs/dbraw/zinc/41/46/82/599414682.db2.gz	DCUCFURRUGNBGD-UHFFFAOYSA-N	-1	3	366.816	2.113	20	30		FEEDHM
N#Cc1ccc(N2CCN(c3c(Cl)cccc3-c3nnn[n-]3)CC2)nc1	ZINC000822830182	599491713	/nfs/dbraw/zinc/49/17/13/599491713.db2.gz	WNDSTAUAFCAUHU-UHFFFAOYSA-N	-1	3	366.816	2.113	20	30		FEEDHM
N#Cc1ccc(N2CCN(c3c(Cl)cccc3-c3nn[n-]n3)CC2)nc1	ZINC000822830182	599491715	/nfs/dbraw/zinc/49/17/15/599491715.db2.gz	WNDSTAUAFCAUHU-UHFFFAOYSA-N	-1	3	366.816	2.113	20	30		FEEDHM
N#CC(C(=O)CCSCC(=O)[O-])C(=O)Nc1ccc(F)c(Cl)c1	ZINC000739072957	599798941	/nfs/dbraw/zinc/79/89/41/599798941.db2.gz	ASBMFPPSWLRGCO-VIFPVBQESA-N	-1	3	358.778	2.334	20	30		FEEDHM
N#Cc1cnc(C(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)c(Cl)c1	ZINC000826387542	607422775	/nfs/dbraw/zinc/42/27/75/607422775.db2.gz	ANKSQPKBLXLQTF-UHFFFAOYSA-N	-1	3	365.784	2.206	20	30		FEEDHM
N#Cc1cnc(C(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)c(Cl)c1	ZINC000826387542	607422776	/nfs/dbraw/zinc/42/27/76/607422776.db2.gz	ANKSQPKBLXLQTF-UHFFFAOYSA-N	-1	3	365.784	2.206	20	30		FEEDHM
Fc1cc(-c2nnn[n-]2)ccc1C=NN1C(=S)N=NC1c1ccccc1	ZINC000822740170	607463664	/nfs/dbraw/zinc/46/36/64/607463664.db2.gz	HTZSFISNXXJDTO-UHFFFAOYSA-N	-1	3	366.385	2.435	20	30		FEEDHM
Fc1cc(-c2nn[n-]n2)ccc1C=NN1C(=S)N=NC1c1ccccc1	ZINC000822740170	607463666	/nfs/dbraw/zinc/46/36/66/607463666.db2.gz	HTZSFISNXXJDTO-UHFFFAOYSA-N	-1	3	366.385	2.435	20	30		FEEDHM
N#Cc1cccc([C@H](C(=O)[O-])N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1	ZINC000833074360	601319120	/nfs/dbraw/zinc/31/91/20/601319120.db2.gz	WJKKUMFXYOMWLI-WMLDXEAASA-N	-1	3	367.365	2.174	20	30		FEEDHM
C=C(C)CN1CCC(NC(=O)N(CCC)[C@@H]2CCN(C(=O)[O-])C2)CC1	ZINC000738485717	602680034	/nfs/dbraw/zinc/68/00/34/602680034.db2.gz	PIEQTDLLMIJQMU-MRXNPFEDSA-N	-1	3	352.479	2.201	20	30		FEEDHM
COc1ccc(CNC(=O)Nc2ccc(F)cc2C#N)cc1-c1nnn[n-]1	ZINC000826200444	607620636	/nfs/dbraw/zinc/62/06/36/607620636.db2.gz	QBQQMFPSTGEDNC-UHFFFAOYSA-N	-1	3	367.344	2.208	20	30		FEEDHM
COc1ccc(CNC(=O)Nc2ccc(F)cc2C#N)cc1-c1nn[n-]n1	ZINC000826200444	607620637	/nfs/dbraw/zinc/62/06/37/607620637.db2.gz	QBQQMFPSTGEDNC-UHFFFAOYSA-N	-1	3	367.344	2.208	20	30		FEEDHM
N#CC(C(=O)C[C@@H](Cc1ccccc1)NC(=O)[O-])C(=O)NC1CCCC1	ZINC000831066834	604226043	/nfs/dbraw/zinc/22/60/43/604226043.db2.gz	ZVOQDWGPIFDBLT-CVEARBPZSA-N	-1	3	357.410	2.023	20	30		FEEDHM
N#Cc1ccc(OC[C@H](O)CN2CCC(N(CC3CC3)C(=O)[O-])CC2)cc1	ZINC000831141030	604233764	/nfs/dbraw/zinc/23/37/64/604233764.db2.gz	AYFHOUYFYZVUIO-GOSISDBHSA-N	-1	3	373.453	2.152	20	30		FEEDHM
CC[C@](NCCS(=O)(=O)c1cccc(C#N)c1)(C(=O)[O-])c1ccccc1	ZINC000833644780	604481827	/nfs/dbraw/zinc/48/18/27/604481827.db2.gz	RPDZJVNNLRQSFI-LJQANCHMSA-N	-1	3	372.446	2.312	20	30		FEEDHM
C#CCN1CCC(C(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)CC1	ZINC000825614609	604898725	/nfs/dbraw/zinc/89/87/25/604898725.db2.gz	RDWFXQFXRGTHRL-UHFFFAOYSA-N	-1	3	350.802	2.087	20	30		FEEDHM
N#Cc1ccc(OCCCOC(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1	ZINC000822832726	606144092	/nfs/dbraw/zinc/14/40/92/606144092.db2.gz	FMVMFAXONROYAI-UHFFFAOYSA-N	-1	3	363.377	2.293	20	30		FEEDHM
N#Cc1ccc(OCCCOC(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1	ZINC000822832726	606144094	/nfs/dbraw/zinc/14/40/94/606144094.db2.gz	FMVMFAXONROYAI-UHFFFAOYSA-N	-1	3	363.377	2.293	20	30		FEEDHM
Cc1cc(C(N)=NOCc2cn3ccccc3c2-c2nnn[n-]2)ccc1F	ZINC000822190823	606177237	/nfs/dbraw/zinc/17/72/37/606177237.db2.gz	BQGOCGFKACVLOO-UHFFFAOYSA-N	-1	3	365.372	2.404	20	30		FEEDHM
Cc1cc(C(N)=NOCc2cn3ccccc3c2-c2nn[n-]n2)ccc1F	ZINC000822190823	606177240	/nfs/dbraw/zinc/17/72/40/606177240.db2.gz	BQGOCGFKACVLOO-UHFFFAOYSA-N	-1	3	365.372	2.404	20	30		FEEDHM
COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)O[C@@H](C#N)C(C)C	ZINC000821701270	606205681	/nfs/dbraw/zinc/20/56/81/606205681.db2.gz	IPVJSHNJUBVNGR-HNNXBMFYSA-N	-1	3	359.386	2.126	20	30		FEEDHM
COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)O[C@@H](C#N)C(C)C	ZINC000821701270	606205683	/nfs/dbraw/zinc/20/56/83/606205683.db2.gz	IPVJSHNJUBVNGR-HNNXBMFYSA-N	-1	3	359.386	2.126	20	30		FEEDHM
Cn1cc(-c2nnn[n-]2)cc1C(=O)N1CCCSC1=Nc1ccccc1	ZINC000822628532	606209054	/nfs/dbraw/zinc/20/90/54/606209054.db2.gz	ZHYRGRLBTFQYNQ-UHFFFAOYSA-N	-1	3	367.438	2.472	20	30		FEEDHM
Cn1cc(-c2nn[n-]n2)cc1C(=O)N1CCCSC1=Nc1ccccc1	ZINC000822628532	606209056	/nfs/dbraw/zinc/20/90/56/606209056.db2.gz	ZHYRGRLBTFQYNQ-UHFFFAOYSA-N	-1	3	367.438	2.472	20	30		FEEDHM
Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	ZINC000822650782	606257947	/nfs/dbraw/zinc/25/79/47/606257947.db2.gz	ZNCBNYPVJNMQTL-UHFFFAOYSA-N	-1	3	361.287	2.348	20	30		FEEDHM
Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	ZINC000822650782	606257949	/nfs/dbraw/zinc/25/79/49/606257949.db2.gz	ZNCBNYPVJNMQTL-UHFFFAOYSA-N	-1	3	361.287	2.348	20	30		FEEDHM
N#C[C@@H]1CCC[C@@H]1NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1	ZINC000822802363	606301548	/nfs/dbraw/zinc/30/15/48/606301548.db2.gz	ZPUQREQSHJLHMJ-HOCLYGCPSA-N	-1	3	354.414	2.224	20	30		FEEDHM
N#C[C@@H]1CCC[C@@H]1NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1	ZINC000822802363	606301550	/nfs/dbraw/zinc/30/15/50/606301550.db2.gz	ZPUQREQSHJLHMJ-HOCLYGCPSA-N	-1	3	354.414	2.224	20	30		FEEDHM
COC(=O)[C@@H](c1cccc(C#N)c1)N(C)Cc1ccc(-c2nnn[n-]2)cc1	ZINC000821652390	606316060	/nfs/dbraw/zinc/31/60/60/606316060.db2.gz	RHHDEIBYIZMVLG-QGZVFWFLSA-N	-1	3	362.393	2.084	20	30		FEEDHM
COC(=O)[C@@H](c1cccc(C#N)c1)N(C)Cc1ccc(-c2nn[n-]n2)cc1	ZINC000821652390	606316062	/nfs/dbraw/zinc/31/60/62/606316062.db2.gz	RHHDEIBYIZMVLG-QGZVFWFLSA-N	-1	3	362.393	2.084	20	30		FEEDHM
CSc1nc(C2CC2)cc(C(=O)N[C@H]2CCC[C@H]2C#N)c1-c1nnn[n-]1	ZINC000821990834	606325527	/nfs/dbraw/zinc/32/55/27/606325527.db2.gz	XAWGARNKMAVSKH-JQWIXIFHSA-N	-1	3	369.454	2.283	20	30		FEEDHM
COc1ccccc1NC(=S)NN=Cc1ccc(-c2nnn[n-]2)s1	ZINC000821897135	606369320	/nfs/dbraw/zinc/36/93/20/606369320.db2.gz	DMRQALXBHIURLG-UHFFFAOYSA-N	-1	3	359.440	2.257	20	30		FEEDHM
COC(=O)COc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)cc1	ZINC000821662767	606390219	/nfs/dbraw/zinc/39/02/19/606390219.db2.gz	RTUDVZPIYBKKIW-SOFGYWHQSA-N	-1	3	370.390	2.376	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)CN1C(=O)C(C)(C)C1(C)C	ZINC000819745906	606433433	/nfs/dbraw/zinc/43/34/33/606433433.db2.gz	UKCDLLAXNYWCKJ-UHFFFAOYSA-N	-1	3	354.458	2.459	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)CN1C(=O)C(C)(C)C1(C)C	ZINC000819745906	606433435	/nfs/dbraw/zinc/43/34/35/606433435.db2.gz	UKCDLLAXNYWCKJ-UHFFFAOYSA-N	-1	3	354.458	2.459	20	30		FEEDHM
N#CCCn1ncc2c1ncnc2Oc1cc(Cl)ccc1-c1nnn[n-]1	ZINC000822811362	606790850	/nfs/dbraw/zinc/79/08/50/606790850.db2.gz	XUZFYYKPYPQKAB-UHFFFAOYSA-N	-1	3	367.760	2.366	20	30		FEEDHM
N#CCCn1ncc2c1ncnc2Oc1cc(Cl)ccc1-c1nn[n-]n1	ZINC000822811362	606790851	/nfs/dbraw/zinc/79/08/51/606790851.db2.gz	XUZFYYKPYPQKAB-UHFFFAOYSA-N	-1	3	367.760	2.366	20	30		FEEDHM
C=C(C)COCCNC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C	ZINC000819722245	606804912	/nfs/dbraw/zinc/80/49/12/606804912.db2.gz	FCZLFGSWLKTDAB-UHFFFAOYSA-N	-1	3	360.418	2.368	20	30		FEEDHM
C=C(C)COCCNC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C	ZINC000819722245	606804914	/nfs/dbraw/zinc/80/49/14/606804914.db2.gz	FCZLFGSWLKTDAB-UHFFFAOYSA-N	-1	3	360.418	2.368	20	30		FEEDHM
N#Cc1cc(-c2nnn[n-]2)c(SCc2cccc3nsnc32)nc1N	ZINC000822818846	606980902	/nfs/dbraw/zinc/98/09/02/606980902.db2.gz	HXAMYTHCBALWAV-UHFFFAOYSA-N	-1	3	367.423	2.013	20	30		FEEDHM
N#Cc1cc(-c2nn[n-]n2)c(SCc2cccc3nsnc32)nc1N	ZINC000822818846	606980903	/nfs/dbraw/zinc/98/09/03/606980903.db2.gz	HXAMYTHCBALWAV-UHFFFAOYSA-N	-1	3	367.423	2.013	20	30		FEEDHM
C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCc1cc(F)ccc1C#N	ZINC000820548510	607076682	/nfs/dbraw/zinc/07/66/82/607076682.db2.gz	BAIVQFKMSOEWSW-NSHDSACASA-N	-1	3	367.340	2.388	20	30		FEEDHM
C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OCc1cc(F)ccc1C#N	ZINC000820548510	607076684	/nfs/dbraw/zinc/07/66/84/607076684.db2.gz	BAIVQFKMSOEWSW-NSHDSACASA-N	-1	3	367.340	2.388	20	30		FEEDHM
Cc1ccc(F)c(OCC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c1	ZINC000822241293	607238281	/nfs/dbraw/zinc/23/82/81/607238281.db2.gz	QXQSFXNXZBLACP-UHFFFAOYSA-N	-1	3	352.329	2.203	20	30		FEEDHM
Cc1ccc(F)c(OCC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c1	ZINC000822241293	607238282	/nfs/dbraw/zinc/23/82/82/607238282.db2.gz	QXQSFXNXZBLACP-UHFFFAOYSA-N	-1	3	352.329	2.203	20	30		FEEDHM
C=C(C)[C@@H](CC(=O)OCc1cccc(C(=O)OC)c1-c1nnn[n-]1)OCC	ZINC000823874786	607920506	/nfs/dbraw/zinc/92/05/06/607920506.db2.gz	YVNOBRHUZPWRJP-CQSZACIVSA-N	-1	3	374.397	2.068	20	30		FEEDHM
C=C(C)[C@@H](CC(=O)OCc1cccc(C(=O)OC)c1-c1nn[n-]n1)OCC	ZINC000823874786	607920507	/nfs/dbraw/zinc/92/05/07/607920507.db2.gz	YVNOBRHUZPWRJP-CQSZACIVSA-N	-1	3	374.397	2.068	20	30		FEEDHM
C=C(C)[C@@H](CC(=O)N(CCOC)c1ccc(-c2nnn[n-]2)cc1)OCC	ZINC000823873063	607927178	/nfs/dbraw/zinc/92/71/78/607927178.db2.gz	HHAFFJVHBRSEEC-MRXNPFEDSA-N	-1	3	359.430	2.217	20	30		FEEDHM
C=C(C)[C@@H](CC(=O)N(CCOC)c1ccc(-c2nn[n-]n2)cc1)OCC	ZINC000823873063	607927179	/nfs/dbraw/zinc/92/71/79/607927179.db2.gz	HHAFFJVHBRSEEC-MRXNPFEDSA-N	-1	3	359.430	2.217	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2cccc([C@H]3CCOC3)c2)cc1-c1nnn[n-]1	ZINC000826385426	608065028	/nfs/dbraw/zinc/06/50/28/608065028.db2.gz	MAPNHKPVWRXELC-HNNXBMFYSA-N	-1	3	360.377	2.495	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2cccc([C@H]3CCOC3)c2)cc1-c1nn[n-]n1	ZINC000826385426	608065029	/nfs/dbraw/zinc/06/50/29/608065029.db2.gz	MAPNHKPVWRXELC-HNNXBMFYSA-N	-1	3	360.377	2.495	20	30		FEEDHM
CC(=NNc1ccccc1S(C)(=O)=O)c1ccc(-c2nnn[n-]2)s1	ZINC000823963247	608094733	/nfs/dbraw/zinc/09/47/33/608094733.db2.gz	ZHQNOGXVJMFYIA-UHFFFAOYSA-N	-1	3	362.440	2.168	20	30		FEEDHM
CC(=NNc1ccccc1S(C)(=O)=O)c1ccc(-c2nn[n-]n2)s1	ZINC000823963247	608094734	/nfs/dbraw/zinc/09/47/34/608094734.db2.gz	ZHQNOGXVJMFYIA-UHFFFAOYSA-N	-1	3	362.440	2.168	20	30		FEEDHM
COCC#CCOC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1	ZINC000826147216	608104447	/nfs/dbraw/zinc/10/44/47/608104447.db2.gz	QBACLDNQWLVUDM-UHFFFAOYSA-N	-1	3	364.361	2.466	20	30		FEEDHM
COCC#CCOC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1	ZINC000826147216	608104448	/nfs/dbraw/zinc/10/44/48/608104448.db2.gz	QBACLDNQWLVUDM-UHFFFAOYSA-N	-1	3	364.361	2.466	20	30		FEEDHM
Cc1nn(-c2ccccc2)c(CN2CCC[C@@](C)(C#N)C2)c1-c1nnn[n-]1	ZINC000826332446	608126185	/nfs/dbraw/zinc/12/61/85/608126185.db2.gz	UUXZYNGXJNFHJG-IBGZPJMESA-N	-1	3	362.441	2.487	20	30		FEEDHM
COc1cc(-c2nnn[n-]2)ccc1CON=Cc1c(C)nc2sccn12	ZINC000826173308	608324451	/nfs/dbraw/zinc/32/44/51/608324451.db2.gz	XDBPWFUKOVXXNI-UHFFFAOYSA-N	-1	3	369.410	2.444	20	30		FEEDHM
COc1cc(-c2nn[n-]n2)ccc1CON=Cc1c(C)nc2sccn12	ZINC000826173308	608324453	/nfs/dbraw/zinc/32/44/53/608324453.db2.gz	XDBPWFUKOVXXNI-UHFFFAOYSA-N	-1	3	369.410	2.444	20	30		FEEDHM
CCN(C(=O)c1cc(C#N)cn1C)c1ccc(-c2nnn[n-]2)c(Cl)c1	ZINC000825379653	608347049	/nfs/dbraw/zinc/34/70/49/608347049.db2.gz	JJJIYXWWJWDGHF-UHFFFAOYSA-N	-1	3	355.789	2.397	20	30		FEEDHM
CCN(C(=O)c1cc(C#N)cn1C)c1ccc(-c2nn[n-]n2)c(Cl)c1	ZINC000825379653	608347052	/nfs/dbraw/zinc/34/70/52/608347052.db2.gz	JJJIYXWWJWDGHF-UHFFFAOYSA-N	-1	3	355.789	2.397	20	30		FEEDHM
CC(=O)Nc1ccccc1CN=Nc1cc(-c2nnn[n-]2)cc(Cl)n1	ZINC000824004661	608540194	/nfs/dbraw/zinc/54/01/94/608540194.db2.gz	CCGKZMGHBZQANM-UHFFFAOYSA-N	-1	3	356.777	2.320	20	30		FEEDHM
CC(=O)Nc1ccccc1CN=Nc1cc(-c2nn[n-]n2)cc(Cl)n1	ZINC000824004661	608540195	/nfs/dbraw/zinc/54/01/95/608540195.db2.gz	CCGKZMGHBZQANM-UHFFFAOYSA-N	-1	3	356.777	2.320	20	30		FEEDHM
N#Cc1cccc([C@@H]2CN(Cc3ccc(-c4nnn[n-]4)s3)CCO2)c1	ZINC000826386602	608854942	/nfs/dbraw/zinc/85/49/42/608854942.db2.gz	LOVCOVFWHUOHBH-HNNXBMFYSA-N	-1	3	352.423	2.373	20	30		FEEDHM
C#CCOc1cc(F)ccc1NCc1cnc2ccc(-c3nnn[n-]3)cn12	ZINC000823856624	608859195	/nfs/dbraw/zinc/85/91/95/608859195.db2.gz	VGYVPRZCTRLVHB-UHFFFAOYSA-N	-1	3	363.356	2.278	20	30		FEEDHM
C#CCOc1cc(F)ccc1NCc1cnc2ccc(-c3nn[n-]n3)cn12	ZINC000823856624	608859197	/nfs/dbraw/zinc/85/91/97/608859197.db2.gz	VGYVPRZCTRLVHB-UHFFFAOYSA-N	-1	3	363.356	2.278	20	30		FEEDHM
C=CCN(CC1CCCCC1)C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1	ZINC000823904175	609227806	/nfs/dbraw/zinc/22/78/06/609227806.db2.gz	WLLAEDZBAUOWCH-QGZVFWFLSA-N	-1	3	355.442	2.495	20	30		FEEDHM
C=CCN(CC1CCCCC1)C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1	ZINC000823904175	609227807	/nfs/dbraw/zinc/22/78/07/609227807.db2.gz	WLLAEDZBAUOWCH-QGZVFWFLSA-N	-1	3	355.442	2.495	20	30		FEEDHM
O=C1[C@@H](N=Cc2ccccc2O)CCCN1c1ccc(-c2nn[n-]n2)cc1	ZINC000826476805	609505545	/nfs/dbraw/zinc/50/55/45/609505545.db2.gz	PMQRTIRDDLHRLV-DORSJAEJSA-N	-1	3	362.393	2.187	20	30		FEEDHM
C#C[C@@H]([N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F)[C@@H]1CCCO1	ZINC000813692272	674770447	/nfs/dbraw/zinc/77/04/47/674770447.db2.gz	FWXYKRXQNAEMNU-ZJUUUORDSA-N	-1	3	367.320	2.183	20	30		FEEDHM
Cc1ncc(CO)c(/C=N\[C@H](C)c2ncc(Br)cn2)c1[O-]	ZINC000814183847	674825010	/nfs/dbraw/zinc/82/50/10/674825010.db2.gz	OUBWJSDAGIRHOW-RSKULPTMSA-N	-1	3	351.204	2.321	20	30		FEEDHM
Cc1nc2sc3c(c2c(=O)n1N=Cc1cn(C)[n-]c1=O)CCCCC3	ZINC000814214297	674826802	/nfs/dbraw/zinc/82/68/02/674826802.db2.gz	ABCXNTIYYNKCDN-UHFFFAOYSA-N	-1	3	357.439	2.357	20	30		FEEDHM
O=C(Cc1csc(-c2ccc(Cl)s2)n1)N[C@@H]1CCN([O-])C1=O	ZINC000816696512	675073626	/nfs/dbraw/zinc/07/36/26/675073626.db2.gz	ZWHIJTUDMZOUGV-MRVPVSSYSA-N	-1	3	357.844	2.174	20	30		FEEDHM
Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N[C@H]1CCCN([O-])C1=O	ZINC000816755165	675077512	/nfs/dbraw/zinc/07/75/12/675077512.db2.gz	UTJNCOJPCYQJPR-ZDUSSCGKSA-N	-1	3	362.817	2.003	20	30		FEEDHM
COc1ccc(Nc2nc(C(=O)N[C@H]3CCCN([O-])C3=O)cs2)cc1	ZINC000816756339	675078164	/nfs/dbraw/zinc/07/81/64/675078164.db2.gz	VPFSOUMCBGXXOP-LBPRGKRZSA-N	-1	3	362.411	2.005	20	30		FEEDHM
C#CCNS(=O)(=O)c1ccc(C(=O)Nc2c([O-])cccc2Cl)cc1	ZINC000816768907	675078815	/nfs/dbraw/zinc/07/88/15/675078815.db2.gz	MPCPEYUCCTYYCY-UHFFFAOYSA-N	-1	3	364.810	2.209	20	30		FEEDHM
COC(=O)c1csc(S(=O)(=O)[N-][C@@H](C)c2cccc(C#N)c2)c1	ZINC000610339320	675967067	/nfs/dbraw/zinc/96/70/67/675967067.db2.gz	PQUKJEOWQBCIFS-JTQLQIEISA-N	-1	3	350.421	2.446	20	30		FEEDHM
COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@]2(C#N)CCC[C@H](C)C2)c1	ZINC000130503698	672076426	/nfs/dbraw/zinc/07/64/26/672076426.db2.gz	PKOBWGKGIPBUSQ-ZBEGNZNMSA-N	-1	3	354.403	2.363	20	30		FEEDHM
C[N-]S(=O)(=O)c1cc(C(=O)OCC#Cc2ccc(Cl)cc2)c(C)o1	ZINC000175576181	672369526	/nfs/dbraw/zinc/36/95/26/672369526.db2.gz	GZVGMABXCKYAGE-UHFFFAOYSA-N	-1	3	367.810	2.358	20	30		FEEDHM
C=CCN(CC=C)[C@H](C[N-]S(=O)(=O)c1ncn(C)c1Cl)C(C)C	ZINC000193098058	672712002	/nfs/dbraw/zinc/71/20/02/672712002.db2.gz	JEVRYQTYUSQPJS-CYBMUJFWSA-N	-1	3	360.911	2.050	20	30		FEEDHM
CC(C)C[C@H](C#N)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1	ZINC000726559384	673130337	/nfs/dbraw/zinc/13/03/37/673130337.db2.gz	FLJSVQZWDCAVON-CYBMUJFWSA-N	-1	3	355.435	2.180	20	30		FEEDHM
COc1c(F)cc(Br)cc1S(=O)(=O)[N-][C@H](C)CC#N	ZINC000730812711	673292134	/nfs/dbraw/zinc/29/21/34/673292134.db2.gz	RLPZJMMALOMYSU-SSDOTTSWSA-N	-1	3	351.197	2.177	20	30		FEEDHM
CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)O[C@H](C)CC#N	ZINC000733711024	673433545	/nfs/dbraw/zinc/43/35/45/673433545.db2.gz	QWLVKIJYZCHSFG-OCCSQVGLSA-N	-1	3	363.439	2.129	20	30		FEEDHM
CC(=O)Nc1nc(C)c(S(=O)(=O)[N-][C@@]2(C#N)CCC[C@H](C)C2)s1	ZINC000614080220	676159505	/nfs/dbraw/zinc/15/95/05/676159505.db2.gz	HGKWABSUCBLJCL-XPTSAGLGSA-N	-1	3	356.473	2.161	20	30		FEEDHM
CN1Cc2ccccc2[C@H]([N-]S(=O)(=O)CC2(C#N)CCCCC2)C1=O	ZINC000598940643	673623791	/nfs/dbraw/zinc/62/37/91/673623791.db2.gz	PUZPXDDKYIGQBB-INIZCTEOSA-N	-1	3	361.467	2.093	20	30		FEEDHM
C=CCC[C@H]([N-]S(=O)(=O)CCc1c(F)cccc1F)C(=O)OCC	ZINC000599322892	673658791	/nfs/dbraw/zinc/65/87/91/673658791.db2.gz	UHSJRZIZHXEFSY-HNNXBMFYSA-N	-1	3	361.410	2.325	20	30		FEEDHM
COc1cccc2c1OCCC2=N[N-]S(=O)(=O)CCc1ccccc1	ZINC000743449527	673760195	/nfs/dbraw/zinc/76/01/95/673760195.db2.gz	ZWCZBRYKGLMASR-UHFFFAOYSA-N	-1	3	360.435	2.344	20	30		FEEDHM
O=C(N[C@@H]1CCN([O-])C1=O)c1cnc(OC2CCCCC2)c(Cl)c1	ZINC000820137030	675338667	/nfs/dbraw/zinc/33/86/67/675338667.db2.gz	JOCLUOFBFURCCQ-CYBMUJFWSA-N	-1	3	353.806	2.166	20	30		FEEDHM
O=C(N[C@H]1CCN([O-])C1=O)c1cc(-c2ccccc2C(F)(F)F)on1	ZINC000820137524	675338835	/nfs/dbraw/zinc/33/88/35/675338835.db2.gz	PBOKXPRWRGCCOU-JTQLQIEISA-N	-1	3	355.272	2.080	20	30		FEEDHM
O=C(N[C@H]1CCCN([O-])C1=O)c1csc(-c2c(F)cccc2F)n1	ZINC000820471459	675364349	/nfs/dbraw/zinc/36/43/49/675364349.db2.gz	WGAUSUIWHJNNPY-JTQLQIEISA-N	-1	3	353.350	2.198	20	30		FEEDHM
O=C(N[C@@H]1CCCN([O-])C1=O)C1(c2ccc(Br)cc2)CCC1	ZINC000820481878	675365181	/nfs/dbraw/zinc/36/51/81/675365181.db2.gz	AHTJEFSUMPXXLC-CYBMUJFWSA-N	-1	3	367.243	2.367	20	30		FEEDHM
CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N[C@H]2CCCN([O-])C2=O)c1	ZINC000820482346	675365214	/nfs/dbraw/zinc/36/52/14/675365214.db2.gz	HREAGLAPRVWASY-ZDUSSCGKSA-N	-1	3	353.806	2.045	20	30		FEEDHM
Cc1ccc(Br)c2cc(C(=O)N[C@H]3CCCN([O-])C3=O)[nH]c21	ZINC000820543921	675368778	/nfs/dbraw/zinc/36/87/78/675368778.db2.gz	BEPUJYPQVILVAV-NSHDSACASA-N	-1	3	366.215	2.349	20	30		FEEDHM
N#Cc1ncn(Cc2ncc(-c3cccc(Cl)c3)o2)c1-c1nnn[n-]1	ZINC000826388015	675687771	/nfs/dbraw/zinc/68/77/71/675687771.db2.gz	DXBZQMHEYLSRNO-UHFFFAOYSA-N	-1	3	352.745	2.292	20	30		FEEDHM
COC(=O)c1cc(S(=O)(=O)[N-][C@H]2CCc3cc(C#N)ccc32)oc1C	ZINC000618715258	676350603	/nfs/dbraw/zinc/35/06/03/676350603.db2.gz	BMDHQYACUGEPGM-HNNXBMFYSA-N	-1	3	360.391	2.212	20	30		FEEDHM
COC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccc(C#N)cc2F)c(F)c1	ZINC000619482362	676379710	/nfs/dbraw/zinc/37/97/10/676379710.db2.gz	UDYPVJZSNQNGIK-UHFFFAOYSA-N	-1	3	366.345	2.102	20	30		FEEDHM
C=CCCC1(CNC(=O)C[N-]S(=O)(=O)c2c(C)noc2C)CCCC1	ZINC000622137248	676492735	/nfs/dbraw/zinc/49/27/35/676492735.db2.gz	RHYWFKOZJMAKEC-UHFFFAOYSA-N	-1	3	369.487	2.213	20	30		FEEDHM
CC#CC[C@@H](CO)[N-]S(=O)(=O)c1cccc(Br)c1Cl	ZINC000645885013	677274202	/nfs/dbraw/zinc/27/42/02/677274202.db2.gz	ZXCIXIYHBJZMIR-VIFPVBQESA-N	-1	3	366.664	2.155	20	30		FEEDHM
C=C(C)COc1cccc([N-]S(=O)(=O)C[C@H](OC)[C@@H]2CCOC2)c1	ZINC000656620772	677786203	/nfs/dbraw/zinc/78/62/03/677786203.db2.gz	GVKAECLJMOSWIQ-PBHICJAKSA-N	-1	3	355.456	2.435	20	30		FEEDHM
Cc1nn(CC(F)(F)F)cc1C([O-])=C(C#N)C(=O)Nc1ccccn1	ZINC000763479668	680784150	/nfs/dbraw/zinc/78/41/50/680784150.db2.gz	RPQHNSCEFRULGH-JTQLQIEISA-N	-1	3	351.288	2.110	20	30		FEEDHM
C=CCOc1ccc(COC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C)cc1	ZINC000763643547	680788579	/nfs/dbraw/zinc/78/85/79/680788579.db2.gz	HAJDBSRHBBQJQW-HNNXBMFYSA-N	-1	3	355.456	2.259	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)NC(C)(C)COC(C)C)ccc1F	ZINC000840543813	680830817	/nfs/dbraw/zinc/83/08/17/680830817.db2.gz	VHCZDGYHZRCJBA-UHFFFAOYSA-N	-1	3	372.462	2.223	20	30		FEEDHM
CC(C)(C#N)C[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1	ZINC000831069061	679916243	/nfs/dbraw/zinc/91/62/43/679916243.db2.gz	IMZSUEFZYJIOQO-UHFFFAOYSA-N	-1	3	352.641	2.326	20	30		FEEDHM
C=C[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C	ZINC000832245135	680115266	/nfs/dbraw/zinc/11/52/66/680115266.db2.gz	JLVLVPNYIXCWSI-BDAKNGLRSA-N	-1	3	365.860	2.118	20	30		FEEDHM
CSCC[C@H](C)OC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000835819047	680384652	/nfs/dbraw/zinc/38/46/52/680384652.db2.gz	WULSWIUVMRWGCI-NEPJUHHUSA-N	-1	3	370.496	2.189	20	30		FEEDHM
COC(=O)c1ccc(N=NCc2cc(O)cc(Br)c2[O-])nc1	ZINC000758118035	680556295	/nfs/dbraw/zinc/55/62/95/680556295.db2.gz	LPSCUJSRKMEOHJ-UHFFFAOYSA-N	-1	3	366.171	2.488	20	30		FEEDHM
COC(=O)c1ccc(NN=Cc2cc(O)cc(Br)c2[O-])nc1	ZINC000758118035	680556297	/nfs/dbraw/zinc/55/62/97/680556297.db2.gz	LPSCUJSRKMEOHJ-UHFFFAOYSA-N	-1	3	366.171	2.488	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)OCC2(C#N)CCC2)ccc1F	ZINC000837415167	680599738	/nfs/dbraw/zinc/59/97/38/680599738.db2.gz	OOAXKJKCKSSDBV-UHFFFAOYSA-N	-1	3	352.387	2.141	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2C[C@]2(C)C(C)C)ccc1F	ZINC000838034446	680669791	/nfs/dbraw/zinc/66/97/91/680669791.db2.gz	DRPGNUBVYGHWBQ-DOTOQJQBSA-N	-1	3	354.447	2.454	20	30		FEEDHM
COC[C@H](Cn1ccc(C=N[O-])nc1=O)c1ccc(Br)cc1	ZINC000842031313	680922731	/nfs/dbraw/zinc/92/27/31/680922731.db2.gz	WPFSPYNOAJSTEL-LBPRGKRZSA-N	-1	3	366.215	2.244	20	30		FEEDHM
Cc1ccccc1[C@H](C)OC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000768193389	680940248	/nfs/dbraw/zinc/94/02/48/680940248.db2.gz	SHGZXXZLXGSHTB-ZDUSSCGKSA-N	-1	3	358.419	2.338	20	30		FEEDHM
Cc1ccccc1[C@@H](C)OC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000768193388	680940311	/nfs/dbraw/zinc/94/03/11/680940311.db2.gz	SHGZXXZLXGSHTB-CYBMUJFWSA-N	-1	3	358.419	2.338	20	30		FEEDHM
CC(C)(C)[C@@H]([N-]S(C)(=O)=O)C(=O)OCc1ccccc1C(C)(C)C#N	ZINC000770112826	681006083	/nfs/dbraw/zinc/00/60/83/681006083.db2.gz	HWNIJOXBWXUIGI-HNNXBMFYSA-N	-1	3	366.483	2.495	20	30		FEEDHM
C#C[C@H](CCC)NS(=O)(=O)c1ccc([N-]S(=O)(=O)CCCC)cc1	ZINC000770391870	681014689	/nfs/dbraw/zinc/01/46/89/681014689.db2.gz	ZZGOCAQEBRMAPP-CQSZACIVSA-N	-1	3	372.512	2.309	20	30		FEEDHM
CCOC(=O)[C@@H](CCOC(C)(C)C)/N=C\c1c([O-])c(C)ncc1CO	ZINC000776256760	681377278	/nfs/dbraw/zinc/37/72/78/681377278.db2.gz	GIFMDQSMEPKPTA-RKQRPNFGSA-N	-1	3	352.431	2.144	20	30		FEEDHM
O=C(Cc1cc(Cl)ccc1Br)N[C@@H]1CCCN([O-])C1=O	ZINC000848135408	681478085	/nfs/dbraw/zinc/47/80/85/681478085.db2.gz	CNIOCWASQZILRR-LLVKDONJSA-N	-1	3	361.623	2.141	20	30		FEEDHM
O=C(N[C@H]1CCCN([O-])C1=O)c1ccc(Br)c(Cl)c1F	ZINC000848134859	681478147	/nfs/dbraw/zinc/47/81/47/681478147.db2.gz	ZVXBWZYNSHPSHW-QMMMGPOBSA-N	-1	3	365.586	2.352	20	30		FEEDHM
Cc1ccc(/C=C/C(=O)N[C@H]2CCCN([O-])C2=O)c(Br)c1	ZINC000848139296	681478701	/nfs/dbraw/zinc/47/87/01/681478701.db2.gz	ZHNGKDRZSNKATN-YBJDMEARSA-N	-1	3	353.216	2.267	20	30		FEEDHM
CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCC(C)(C#N)CC2)ccc1F	ZINC000781028163	681896545	/nfs/dbraw/zinc/89/65/45/681896545.db2.gz	MQWQKWYYHCDOPE-UHFFFAOYSA-N	-1	3	367.446	2.278	20	30		FEEDHM
N#CCN1CCC([N-]S(=O)(=O)c2cnc(-c3ccccc3)s2)CC1	ZINC000914076680	685493585	/nfs/dbraw/zinc/49/35/85/685493585.db2.gz	HFVXWUDGWPOCFC-UHFFFAOYSA-N	-1	3	362.480	2.076	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)OC[C@@H]2CCO[C@@H](C)C2)ccc1F	ZINC000782697852	682074292	/nfs/dbraw/zinc/07/42/92/682074292.db2.gz	UHAOWTSDFXKIET-QWHCGFSZSA-N	-1	3	371.430	2.262	20	30		FEEDHM
Cc1n[nH]c(C)c1C=Nn1c(=S)[n-]nc1[C@H]1COc2ccccc2O1	ZINC000915946185	685519883	/nfs/dbraw/zinc/51/98/83/685519883.db2.gz	BWESAFXZTNEOGK-CQSZACIVSA-N	-1	3	356.411	2.301	20	30		FEEDHM
C[C@H](O)[C@@H]([N-]S(=O)(=O)Cc1csc(C#N)c1)c1ccccc1F	ZINC000916674885	685526947	/nfs/dbraw/zinc/52/69/47/685526947.db2.gz	RDWZHHHPHWRIIQ-ZUZCIYMTSA-N	-1	3	354.428	2.300	20	30		FEEDHM
CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@](C)(C#N)C2)ccc1F	ZINC000784747775	682251662	/nfs/dbraw/zinc/25/16/62/682251662.db2.gz	QEARHVMQIFVNPO-KRWDZBQOSA-N	-1	3	367.446	2.278	20	30		FEEDHM
C[C@H](OC(=O)c1cccc(Br)c1[O-])C(=O)NC1(C#N)CCC1	ZINC000787694804	682473346	/nfs/dbraw/zinc/47/33/46/682473346.db2.gz	CYVIRRWJCIBGHX-VIFPVBQESA-N	-1	3	367.199	2.262	20	30		FEEDHM
Cc1cc(S(=O)(=O)[N-]CCNc2ncccc2C#N)sc1Cl	ZINC000788884026	682561986	/nfs/dbraw/zinc/56/19/86/682561986.db2.gz	FPZJVGZQOWHMPU-UHFFFAOYSA-N	-1	3	356.860	2.367	20	30		FEEDHM
C[C@@H](C#N)N(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)C1CC1	ZINC000855584490	682690255	/nfs/dbraw/zinc/69/02/55/682690255.db2.gz	SDGHXLZJWWGLAV-NSHDSACASA-N	-1	3	367.446	2.419	20	30		FEEDHM
Cc1c(Br)c(C)n([N-]C(=O)c2ccnc(F)c2)c(=O)c1C#N	ZINC000791170942	682725788	/nfs/dbraw/zinc/72/57/88/682725788.db2.gz	IYLVPLIUQWWUJT-UHFFFAOYSA-N	-1	3	365.162	2.017	20	30		FEEDHM
C=CCCO[N-]C(=O)CCc1c(C)nc2nc(C(F)(F)F)nn2c1C	ZINC000856029497	682735731	/nfs/dbraw/zinc/73/57/31/682735731.db2.gz	QEDFEIUEHAIIKD-UHFFFAOYSA-N	-1	3	357.336	2.316	20	30		FEEDHM
C[C@H]1CCC(=N[N-]S(=O)(=O)CCc2ccccc2)[C@H](n2cncn2)C1	ZINC000794515806	682974679	/nfs/dbraw/zinc/97/46/79/682974679.db2.gz	NFESWVNHFBSFSV-WMLDXEAASA-N	-1	3	361.471	2.157	20	30		FEEDHM
C#CC[C@H](COC)[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F	ZINC000859430263	683108973	/nfs/dbraw/zinc/10/89/73/683108973.db2.gz	QLHPXWWNUHDOKS-SECBINFHSA-N	-1	3	355.309	2.041	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H]2CCC[C@@H]2C)ccc1F	ZINC000798685881	683379718	/nfs/dbraw/zinc/37/97/18/683379718.db2.gz	SAZHUAYNXJUKFN-JSGCOSHPSA-N	-1	3	354.447	2.456	20	30		FEEDHM
CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H](C#N)C2)ccc1F	ZINC000928228943	683416907	/nfs/dbraw/zinc/41/69/07/683416907.db2.gz	LKVYLBYJBBYXKC-GFCCVEGCSA-N	-1	3	367.446	2.278	20	30		FEEDHM
CC1(C)CCC(C)(C)N(C(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)C1	ZINC000862586857	683602650	/nfs/dbraw/zinc/60/26/50/683602650.db2.gz	GGDBHSAYEGCCGZ-UHFFFAOYSA-N	-1	3	363.483	2.152	20	30		FEEDHM
C#CC[C@H](COC)NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1	ZINC000863800211	683774605	/nfs/dbraw/zinc/77/46/05/683774605.db2.gz	ZURAMVINVOMISP-LLVKDONJSA-N	-1	3	363.211	2.059	20	30		FEEDHM
N#C[C@]1(C(=O)Nc2cc(I)ccc2[O-])CCCOC1	ZINC000867011507	684195752	/nfs/dbraw/zinc/19/57/52/684195752.db2.gz	SCJIYCCLUHFDRF-CYBMUJFWSA-N	-1	3	372.162	2.256	20	30		FEEDHM
Cc1ncc(S(=O)(=O)[N-]C2CCN(c3ccccc3C#N)CC2)s1	ZINC000867611712	684330681	/nfs/dbraw/zinc/33/06/81/684330681.db2.gz	NJSUBTJGNRHYKQ-UHFFFAOYSA-N	-1	3	362.480	2.271	20	30		FEEDHM
CCOC(=O)[C@@H](CC=C(C)C)[N-]S(=O)(=O)Cc1cccc(C#N)c1	ZINC000867759527	684376448	/nfs/dbraw/zinc/37/64/48/684376448.db2.gz	QVYARXZTVMJFNA-MRXNPFEDSA-N	-1	3	350.440	2.266	20	30		FEEDHM
Cc1cc(N2CCSCC2)ccc1NC(=O)N[C@H]1CCCN([O-])C1=O	ZINC000878502684	686596948	/nfs/dbraw/zinc/59/69/48/686596948.db2.gz	FVOUGIAHZZRZKE-HNNXBMFYSA-N	-1	3	364.471	2.050	20	30		FEEDHM
O=C(N[C@@H](CCc1ccccc1)C(F)(F)F)N[C@@H]1CCCN([O-])C1=O	ZINC000879193691	686764654	/nfs/dbraw/zinc/76/46/54/686764654.db2.gz	ZPEJCLFMMJRWEW-OLZOCXBDSA-N	-1	3	359.348	2.230	20	30		FEEDHM
COc1cc(C)c(Br)cc1NC(=O)N[C@H]1CCCN([O-])C1=O	ZINC000879206849	686768769	/nfs/dbraw/zinc/76/87/69/686768769.db2.gz	WXRJWTMIZMVHGY-JTQLQIEISA-N	-1	3	372.219	2.268	20	30		FEEDHM
O=C(Nc1cc(F)cc(Br)c1F)N[C@@H]1CCCN([O-])C1=O	ZINC000879403085	686815357	/nfs/dbraw/zinc/81/53/57/686815357.db2.gz	VXVHNQQCDJJWSJ-MRVPVSSYSA-N	-1	3	364.146	2.229	20	30		FEEDHM
C[S@@](=O)(=NS(=O)(=O)[N-]CCc1ccc(C#N)cc1)C1CCCCC1	ZINC000882386669	687358732	/nfs/dbraw/zinc/35/87/32/687358732.db2.gz	OWFZFVZFFHCDTC-QHCPKHFHSA-N	-1	3	369.512	2.366	20	30		FEEDHM
Cc1cc(=O)[n-]c(N2CCN(c3ncc(C#N)c4ccsc43)CC2)n1	ZINC000884704993	687907902	/nfs/dbraw/zinc/90/79/02/687907902.db2.gz	BOTFNUXYOOYGQN-UHFFFAOYSA-N	-1	3	352.423	2.299	20	30		FEEDHM
N#Cc1ccc(CN2CC[C@H](NCc3ccc(C(=O)[O-])s3)C2=O)cc1	ZINC000903685054	690960669	/nfs/dbraw/zinc/96/06/69/690960669.db2.gz	MJOFEOMUNRIRHW-HNNXBMFYSA-N	-1	3	355.419	2.209	20	30		FEEDHM
COC(=O)c1ccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1	ZINC000015630384	539621299	/nfs/dbraw/zinc/62/12/99/539621299.db2.gz	IKHDJXUPLOPXOA-UHFFFAOYSA-N	-1	3	353.378	2.221	20	30		FEEDHM
N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc3n[n-]nc3c2)CC1	ZINC000029048785	539841501	/nfs/dbraw/zinc/84/15/01/539841501.db2.gz	YIGFLIAHTJMZIP-SFHVURJKSA-N	-1	3	364.384	2.120	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1ccc(OC(C)C)nc1	ZINC000044739902	540138897	/nfs/dbraw/zinc/13/88/97/540138897.db2.gz	YCEOMYQZBOUYDL-UHFFFAOYSA-N	-1	3	368.437	2.295	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@H](C)c1ccc(C#N)cc1	ZINC000056752277	540742611	/nfs/dbraw/zinc/74/26/11/540742611.db2.gz	RYNHUYXJPADNRG-VXGBXAGGSA-N	-1	3	363.464	2.164	20	30		FEEDHM
CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CCC(C#N)CC2)cc1OC	ZINC000067012409	541407070	/nfs/dbraw/zinc/40/70/70/541407070.db2.gz	VEXLTJGALNXWEJ-UHFFFAOYSA-N	-1	3	366.443	2.224	20	30		FEEDHM
CO[C@@H](CNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1ccc(F)cc1	ZINC000073148112	541925615	/nfs/dbraw/zinc/92/56/15/541925615.db2.gz	XQJDTSDAKDXNQJ-SFHVURJKSA-N	-1	3	371.412	2.439	20	30		FEEDHM
COCCOc1ncccc1C([O-])=C(C#N)c1nc2ccccc2n1C	ZINC000093242928	542920489	/nfs/dbraw/zinc/92/04/89/542920489.db2.gz	KYVUSCDSNOGAFM-AWEZNQCLSA-N	-1	3	350.378	2.484	20	30		FEEDHM
C=CCCCN(C)S(=O)(=O)c1ccc([N-]S(=O)(=O)CC)c(F)c1	ZINC000093917118	542945674	/nfs/dbraw/zinc/94/56/74/542945674.db2.gz	FGBHWVXKYZBNKG-UHFFFAOYSA-N	-1	3	364.464	2.174	20	30		FEEDHM
Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cc(S(C)(=O)=O)ccc1F	ZINC000114673390	543529249	/nfs/dbraw/zinc/52/92/49/543529249.db2.gz	UAUIPKAHJINAOX-UHFFFAOYSA-N	-1	3	368.411	2.210	20	30		FEEDHM
COc1ccc([O-])c(C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)c1	ZINC000123511470	543766562	/nfs/dbraw/zinc/76/65/62/543766562.db2.gz	ZPKBYFBHDKVLQI-GOSISDBHSA-N	-1	3	351.406	2.423	20	30		FEEDHM
N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@@H]1CCO[C@@]2(CCSC2)C1	ZINC000127581177	544001355	/nfs/dbraw/zinc/00/13/55/544001355.db2.gz	NIIVTLPNSDPJLT-HIFRSBDPSA-N	-1	3	356.444	2.030	20	30		FEEDHM
N#Cc1ccc(C(=O)NCCCNC(=O)c2cccc([O-])c2)cc1Cl	ZINC000132317521	544226524	/nfs/dbraw/zinc/22/65/24/544226524.db2.gz	SWPAVJOGPYQTNZ-UHFFFAOYSA-N	-1	3	357.797	2.467	20	30		FEEDHM
CCc1ccc([C@@H](COC)NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)o1	ZINC000133521396	544273676	/nfs/dbraw/zinc/27/36/76/544273676.db2.gz	HFPFJXLCSRMPKX-QGZVFWFLSA-N	-1	3	371.437	2.455	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]C2CCN(c3ccccn3)CC2)c(F)c1	ZINC000151069217	544502089	/nfs/dbraw/zinc/50/20/89/544502089.db2.gz	RLMINVBWHIZIIO-UHFFFAOYSA-N	-1	3	360.414	2.040	20	30		FEEDHM
Cc1cc(NCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)cc(C#N)n1	ZINC000553209500	674245479	/nfs/dbraw/zinc/24/54/79/674245479.db2.gz	KGSBKHTZARHLHF-UHFFFAOYSA-N	-1	3	368.821	2.445	20	30		FEEDHM
Cc1nn(C)c(C)c1CCC[N-]S(=O)(=O)c1ccc(C#N)cc1Cl	ZINC000180322004	327681321	/nfs/dbraw/zinc/68/13/21/327681321.db2.gz	JQUQSKVTJANTCR-UHFFFAOYSA-N	-1	3	366.874	2.473	20	30		FEEDHM
N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CCCOCC2CCOCC2)c1	ZINC000184897723	327888152	/nfs/dbraw/zinc/88/81/52/327888152.db2.gz	ZCAICNJSWWFUIA-UHFFFAOYSA-N	-1	3	372.874	2.323	20	30		FEEDHM
Cc1cccc(C[C@@H](CO)[N-]S(=O)(=O)c2cccc(Cl)c2C#N)c1	ZINC000188390998	328084192	/nfs/dbraw/zinc/08/41/92/328084192.db2.gz	JRDVGTWFUBYXMM-AWEZNQCLSA-N	-1	3	364.854	2.402	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H](CCO)c1ccccc1	ZINC000086529628	325267297	/nfs/dbraw/zinc/26/72/97/325267297.db2.gz	MXGKCLFTMVKWDU-QGZVFWFLSA-N	-1	3	367.449	2.078	20	30		FEEDHM
CC[S@](=O)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(F)cc2C#N)C1	ZINC000246101851	328589949	/nfs/dbraw/zinc/58/99/49/328589949.db2.gz	MPASFQJQDJQOEP-QLEMLULZSA-N	-1	3	358.460	2.055	20	30		FEEDHM
Cc1nn(C)c(C)c1C[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1C#N	ZINC000122278063	326390846	/nfs/dbraw/zinc/39/08/46/326390846.db2.gz	ZDILBAXXWOKJQS-JTQLQIEISA-N	-1	3	366.874	2.472	20	30		FEEDHM
Cc1ccc(NCCCNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)nc1	ZINC000126373893	326487955	/nfs/dbraw/zinc/48/79/55/326487955.db2.gz	VTIPLMAVRNHXIG-UHFFFAOYSA-N	-1	3	367.453	2.118	20	30		FEEDHM
N#Cc1ccc(CNCC[N-]S(=O)(=O)c2ccc(Cl)s2)cc1	ZINC000127822549	326513155	/nfs/dbraw/zinc/51/31/55/326513155.db2.gz	KTMATWMHVWVIME-UHFFFAOYSA-N	-1	3	355.872	2.341	20	30		FEEDHM
Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)[N-]OCc3cccnc3)C2)n1	ZINC000152446214	326707588	/nfs/dbraw/zinc/70/75/88/326707588.db2.gz	WBPBAHPZBMBYEO-QGZVFWFLSA-N	-1	3	351.410	2.121	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12	ZINC000152831778	326717374	/nfs/dbraw/zinc/71/73/74/326717374.db2.gz	GXZFJSWJAJZDOB-DSKINZAPSA-N	-1	3	361.445	2.498	20	30		FEEDHM
N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CCCOC[C@@H]1CCCO1	ZINC000156243589	326823336	/nfs/dbraw/zinc/82/33/36/326823336.db2.gz	JFGSAEALQNXNHP-AWEZNQCLSA-N	-1	3	358.847	2.076	20	30		FEEDHM
COc1cc(C)cc(CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1	ZINC000162397503	327024780	/nfs/dbraw/zinc/02/47/80/327024780.db2.gz	DFZYOJVWDUQGPF-UHFFFAOYSA-N	-1	3	353.422	2.429	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c(F)c1	ZINC000167287908	327084275	/nfs/dbraw/zinc/08/42/75/327084275.db2.gz	JWRJVQZCXJBZKP-MAZHCROVSA-N	-1	3	350.415	2.323	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]C[C@@H](c2cccs2)N2CCCC2)o1	ZINC000286422337	330183799	/nfs/dbraw/zinc/18/37/99/330183799.db2.gz	GQAXKNGFNZTMNQ-ZDUSSCGKSA-N	-1	3	351.453	2.328	20	30		FEEDHM
CC(C)n1ncc2c1C[C@H]([N-]S(=O)(=O)c1ccc(C#N)s1)CC2	ZINC000367197055	330228600	/nfs/dbraw/zinc/22/86/00/330228600.db2.gz	VVWIWDIFFJUZPI-GFCCVEGCSA-N	-1	3	350.469	2.233	20	30		FEEDHM
CC(C)[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)c1nnc2ccccn21	ZINC000155684648	545558137	/nfs/dbraw/zinc/55/81/37/545558137.db2.gz	LCBAEKDZIDAMNT-INIZCTEOSA-N	-1	3	373.413	2.416	20	30		FEEDHM
COc1cccc(-c2noc([C@H](C)[N-]S(=O)(=O)CCCCC#N)n2)c1	ZINC000174032924	546290109	/nfs/dbraw/zinc/29/01/09/546290109.db2.gz	PLYNOJLYSYAWRW-LBPRGKRZSA-N	-1	3	364.427	2.419	20	30		FEEDHM
N#Cc1ccc(CSCC(=O)NCc2nnc(C(F)(F)F)[n-]2)cc1	ZINC000481907374	561244997	/nfs/dbraw/zinc/24/49/97/561244997.db2.gz	UROYJWPOOHJLTQ-UHFFFAOYSA-N	-1	3	355.345	2.245	20	30		FEEDHM
N#Cc1ccc(CSCC(=O)NCc2n[n-]c(C(F)(F)F)n2)cc1	ZINC000481907374	561244998	/nfs/dbraw/zinc/24/49/98/561244998.db2.gz	UROYJWPOOHJLTQ-UHFFFAOYSA-N	-1	3	355.345	2.245	20	30		FEEDHM
N#Cc1ccc(CSCC(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1	ZINC000481907374	561244999	/nfs/dbraw/zinc/24/49/99/561244999.db2.gz	UROYJWPOOHJLTQ-UHFFFAOYSA-N	-1	3	355.345	2.245	20	30		FEEDHM
N#Cc1ccc(SCc2cc(=O)n3nc(N)[n-]c3n2)cc1C(F)(F)F	ZINC000180385564	547097572	/nfs/dbraw/zinc/09/75/72/547097572.db2.gz	HTKVWDJBPDCLKW-UHFFFAOYSA-N	-1	3	366.328	2.183	20	30		FEEDHM
CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000183561551	547681091	/nfs/dbraw/zinc/68/10/91/547681091.db2.gz	FRXIHTDJJAVQRO-UHFFFAOYSA-N	-1	3	368.393	2.376	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]CC(=O)Nc2cccc(F)c2)c(Cl)c1	ZINC000183613503	547689673	/nfs/dbraw/zinc/68/96/73/547689673.db2.gz	QBLYAGREBOKQCU-UHFFFAOYSA-N	-1	3	367.789	2.268	20	30		FEEDHM
N#Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2nncn2-c2ccccc2)c1	ZINC000186269012	548109763	/nfs/dbraw/zinc/10/97/63/548109763.db2.gz	UVSWDOBKRLHHOY-UHFFFAOYSA-N	-1	3	373.825	2.271	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCSCC[C@@H]2C)ccc1F	ZINC000190029555	548316542	/nfs/dbraw/zinc/31/65/42/548316542.db2.gz	VVRLPQHYFQPAIB-LBPRGKRZSA-N	-1	3	372.487	2.258	20	30		FEEDHM
O=S(=O)([N-]CC(F)(F)C(F)F)c1ccc(OCC(F)(F)F)nc1	ZINC000192131051	548359728	/nfs/dbraw/zinc/35/97/28/548359728.db2.gz	MSWNDYKUYOWKGA-UHFFFAOYSA-N	-1	3	370.246	2.201	20	30		FEEDHM
COC(=O)c1ccc(CS(=O)(=O)[N-][C@@]2(C#N)CCC[C@H](C)C2)cc1	ZINC000194689826	548515767	/nfs/dbraw/zinc/51/57/67/548515767.db2.gz	FXPHUCFOMBECEN-GUYCJALGSA-N	-1	3	350.440	2.365	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-]Cc1cc(Br)ccc1F	ZINC000236137527	548767142	/nfs/dbraw/zinc/76/71/42/548767142.db2.gz	MONVJVBIHADWOK-UHFFFAOYSA-N	-1	3	370.203	2.333	20	30		FEEDHM
N#C[C@@H]1CN(Cc2cc3c(cc2[O-])OCO3)CCN1Cc1ccccc1	ZINC000246333933	549108657	/nfs/dbraw/zinc/10/86/57/549108657.db2.gz	HEXNDZFEIJNLCL-QGZVFWFLSA-N	-1	3	351.406	2.331	20	30		FEEDHM
COC(=O)[C@H](C)[C@H]([N-]S(=O)(=O)c1cnc(C)c(C#N)c1)c1ccccc1	ZINC000489578104	561414643	/nfs/dbraw/zinc/41/46/43/561414643.db2.gz	AJXGVOIZTJJIPU-PXAZEXFGSA-N	-1	3	373.434	2.090	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2	ZINC000253555363	549695191	/nfs/dbraw/zinc/69/51/91/549695191.db2.gz	SFRZUXSQHSNNJV-BMGDILEWSA-N	-1	3	355.438	2.282	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCN(c3ccccc3F)C2)s1	ZINC000490414307	561432605	/nfs/dbraw/zinc/43/26/05/561432605.db2.gz	NNFJNJRNGMFXIK-LLVKDONJSA-N	-1	3	351.428	2.316	20	30		FEEDHM
CSc1nnc(NC(=O)CCC(=O)N(CCC#N)c2ccccc2)[n-]1	ZINC000264655514	549999076	/nfs/dbraw/zinc/99/90/76/549999076.db2.gz	IIIWAIGBGAXORG-UHFFFAOYSA-N	-1	3	358.427	2.192	20	30		FEEDHM
CSc1n[n-]c(NC(=O)CCC(=O)N(CCC#N)c2ccccc2)n1	ZINC000264655514	549999078	/nfs/dbraw/zinc/99/90/78/549999078.db2.gz	IIIWAIGBGAXORG-UHFFFAOYSA-N	-1	3	358.427	2.192	20	30		FEEDHM
CSc1nc(NC(=O)CCC(=O)N(CCC#N)c2ccccc2)n[n-]1	ZINC000264655514	549999080	/nfs/dbraw/zinc/99/90/80/549999080.db2.gz	IIIWAIGBGAXORG-UHFFFAOYSA-N	-1	3	358.427	2.192	20	30		FEEDHM
CCS(=O)(=O)[N-]c1ccc(NC(=O)N(C)[C@@H](C)CC#N)cc1OC	ZINC000267907411	550035471	/nfs/dbraw/zinc/03/54/71/550035471.db2.gz	JTIGKKFDSALOEL-NSHDSACASA-N	-1	3	354.432	2.223	20	30		FEEDHM
N#CCOc1ccc(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1	ZINC000267926989	550035491	/nfs/dbraw/zinc/03/54/91/550035491.db2.gz	KKMWFJXNAIHPSA-UHFFFAOYSA-N	-1	3	351.406	2.253	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc2c(c1)CNCC2	ZINC000269037799	550147595	/nfs/dbraw/zinc/14/75/95/550147595.db2.gz	BPXHDOJGLUWMPL-UHFFFAOYSA-N	-1	3	350.422	2.493	20	30		FEEDHM
Cc1ncc(CO)c(/C=N/[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)c1[O-]	ZINC000271451051	550376521	/nfs/dbraw/zinc/37/65/21/550376521.db2.gz	URGUKEHLVIYZRB-DYFGUKFHSA-N	-1	3	361.348	2.091	20	30		FEEDHM
C=CCSCCNC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1	ZINC000272403570	550444476	/nfs/dbraw/zinc/44/44/76/550444476.db2.gz	KEJFVEZXCCRCLY-UHFFFAOYSA-N	-1	3	373.475	2.307	20	30		FEEDHM
N#CCCCNC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl	ZINC000273060547	550482991	/nfs/dbraw/zinc/48/29/91/550482991.db2.gz	FBGDHWAPUOBXDI-UHFFFAOYSA-N	-1	3	364.254	2.082	20	30		FEEDHM
C#CCN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)C1CC1	ZINC000274116323	550523918	/nfs/dbraw/zinc/52/39/18/550523918.db2.gz	ZGQGMCCWCGJQDQ-UHFFFAOYSA-N	-1	3	352.431	2.140	20	30		FEEDHM
CC(C)(C#N)c1ccc([N-]S(=O)(=O)c2ccc(-n3cnnn3)cc2)cc1	ZINC000494645315	561473329	/nfs/dbraw/zinc/47/33/29/561473329.db2.gz	BTDLNEJCDZJMGS-UHFFFAOYSA-N	-1	3	368.422	2.264	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-]C[C@H]1CCCO[C@@H]1c1ccccc1	ZINC000276998109	550619898	/nfs/dbraw/zinc/61/98/98/550619898.db2.gz	JNJOPQSBJDFFSN-CRAIPNDOSA-N	-1	3	357.435	2.399	20	30		FEEDHM
COCCN1C(=O)C[C@@H](C/N=C/c2ccccc2[O-])[C@@H]1c1cnn(C)c1C	ZINC000277547009	550683044	/nfs/dbraw/zinc/68/30/44/550683044.db2.gz	WJNBCGFNDBPEFF-TVZYQXFDSA-N	-1	3	370.453	2.089	20	30		FEEDHM
CC[C@H](CC#N)[N-]S(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C	ZINC000278946074	550838980	/nfs/dbraw/zinc/83/89/80/550838980.db2.gz	YWFJCUZTBRCWCO-MRVPVSSYSA-N	-1	3	350.849	2.467	20	30		FEEDHM
C=CCCCNC(=O)C(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1	ZINC000280474934	550997744	/nfs/dbraw/zinc/99/77/44/550997744.db2.gz	NNDNVLLDMDGKKO-UHFFFAOYSA-N	-1	3	354.410	2.433	20	30		FEEDHM
C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1Cl	ZINC000280756813	551028912	/nfs/dbraw/zinc/02/89/12/551028912.db2.gz	MYPHVIBUBMVCIN-IUODEOHRSA-N	-1	3	373.858	2.386	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)c1ccc([N+](=O)[O-])nc1	ZINC000281098877	551062998	/nfs/dbraw/zinc/06/29/98/551062998.db2.gz	FQPFTKYZQIXMPS-UHFFFAOYSA-N	-1	3	355.354	2.175	20	30		FEEDHM
CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)[C@@H](O)C(F)(F)F	ZINC000497978507	561513001	/nfs/dbraw/zinc/51/30/01/561513001.db2.gz	JYKSKHTUBQDERO-MWLCHTKSSA-N	-1	3	356.753	2.192	20	30		FEEDHM
CCOCCCC[N-]S(=O)(=O)c1cccc(Br)c1C#N	ZINC000286726025	551918978	/nfs/dbraw/zinc/91/89/78/551918978.db2.gz	SORZHRHSQKPMNG-UHFFFAOYSA-N	-1	3	361.261	2.416	20	30		FEEDHM
COCCCOc1cccc(C[N-]S(=O)(=O)c2ccc(C#N)o2)c1	ZINC000288002150	552073520	/nfs/dbraw/zinc/07/35/20/552073520.db2.gz	ZXBDBEWBSHVOBE-UHFFFAOYSA-N	-1	3	350.396	2.045	20	30		FEEDHM
C#Cc1ccccc1CC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1	ZINC000290315807	552458907	/nfs/dbraw/zinc/45/89/07/552458907.db2.gz	HSMLZWOXQGCGDN-CYBMUJFWSA-N	-1	3	352.356	2.128	20	30		FEEDHM
N#Cc1ccc(CC(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cc1	ZINC000290392372	552471961	/nfs/dbraw/zinc/47/19/61/552471961.db2.gz	PCGFIPNIYKPOCC-AWEZNQCLSA-N	-1	3	353.344	2.018	20	30		FEEDHM
C=CCn1c(C2CCC2)nnc1N1CCN(C(=O)c2ccc([O-])cc2)CC1	ZINC000290494037	552487980	/nfs/dbraw/zinc/48/79/80/552487980.db2.gz	VFPNSTKEJZWCOG-UHFFFAOYSA-N	-1	3	367.453	2.400	20	30		FEEDHM
N#CCCN(CCN1CCOCC1)Cc1cc([O-])cc(C(F)(F)F)c1	ZINC000290534396	552494385	/nfs/dbraw/zinc/49/43/85/552494385.db2.gz	VMLHUOUJQSQRIB-UHFFFAOYSA-N	-1	3	357.376	2.459	20	30		FEEDHM
Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@]2(C#N)CC2(C)C)c1	ZINC000292605178	552742392	/nfs/dbraw/zinc/74/23/92/552742392.db2.gz	XAZBTJZPAXJFPC-GOSISDBHSA-N	-1	3	354.366	2.363	20	30		FEEDHM
C=CCC(F)(F)C(=O)[N-][C@@H]1CCN(Cc2ccc(OC)cc2OC)C1=O	ZINC000293834335	552860783	/nfs/dbraw/zinc/86/07/83/552860783.db2.gz	AUHVRPBHMHNGQY-CQSZACIVSA-N	-1	3	368.380	2.132	20	30		FEEDHM
COC[C@@H]([N-]S(=O)(=O)Cc1ccc(F)cc1C#N)c1ccc(C)o1	ZINC000295164989	552965297	/nfs/dbraw/zinc/96/52/97/552965297.db2.gz	FSPRGQBIBYETIQ-OAHLLOKOSA-N	-1	3	352.387	2.406	20	30		FEEDHM
CC[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)[C@H](O)C(F)(F)F	ZINC000503775000	561648179	/nfs/dbraw/zinc/64/81/79/561648179.db2.gz	PLZPTTQPIFAAFE-ONGXEEELSA-N	-1	3	356.753	2.192	20	30		FEEDHM
Cc1ncc(CO)c(/C=N/c2ccc(N3CCC(C(N)=O)CC3)cc2)c1[O-]	ZINC000299611044	553588562	/nfs/dbraw/zinc/58/85/62/553588562.db2.gz	YCDOGPQZVOBYAB-FOKLQQMPSA-N	-1	3	368.437	2.040	20	30		FEEDHM
CC(=O)Nc1ncc(S(=O)(=O)[N-]CC(=O)NC2CCCCC2)s1	ZINC000328815285	553826807	/nfs/dbraw/zinc/82/68/07/553826807.db2.gz	ODXQQQDTGOLDLD-UHFFFAOYSA-N	-1	3	360.461	2.319	20	30		FEEDHM
C[C@H](C(=O)Nc1cccc2ncccc21)N1CCN2C(=O)[N-]C(=O)[C@H]2C1	ZINC000328931873	553847209	/nfs/dbraw/zinc/84/72/09/553847209.db2.gz	ZXEANFQBLFZBDR-IAQYHMDHSA-N	-1	3	353.382	2.288	20	30		FEEDHM
C[C@@H]1CC[C@@H](C)N1CC(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-]	ZINC000329118249	553883865	/nfs/dbraw/zinc/88/38/65/553883865.db2.gz	OIBFCWRJAXOGLP-VXGBXAGGSA-N	-1	3	367.471	2.294	20	30		FEEDHM
C[C@@]1(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)CCCOC1	ZINC000329176411	553896093	/nfs/dbraw/zinc/89/60/93/553896093.db2.gz	MURXXYFDNZXUAN-GFCCVEGCSA-N	-1	3	352.865	2.205	20	30		FEEDHM
CO[C@@](C)(C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1[O-])C1CC1	ZINC000329728613	553996490	/nfs/dbraw/zinc/99/64/90/553996490.db2.gz	HHKSMIWQQUJORH-MRXNPFEDSA-N	-1	3	354.428	2.335	20	30		FEEDHM
CCN1CCC[C@H]1C[N-]S(=O)(=O)c1cccc(Br)c1C#N	ZINC000330476666	554126316	/nfs/dbraw/zinc/12/63/16/554126316.db2.gz	LCLFUMVYRRFZKM-NSHDSACASA-N	-1	3	372.288	2.083	20	30		FEEDHM
CSCC[C@](C)(C#N)[N-]S(=O)(=O)c1cnc2c(Cl)c(C)nn2c1	ZINC000508101945	561751859	/nfs/dbraw/zinc/75/18/59/561751859.db2.gz	JTTGKFQHFIZUDF-CYBMUJFWSA-N	-1	3	373.891	2.005	20	30		FEEDHM
C[C@@]1(CO)CCC[C@H]1[N-]S(=O)(=O)c1cccc(Br)c1C#N	ZINC000330678178	554156458	/nfs/dbraw/zinc/15/64/58/554156458.db2.gz	WBJGFTXNLMAVTJ-KGLIPLIRSA-N	-1	3	373.272	2.150	20	30		FEEDHM
C[C@@]1(C[N-]S(=O)(=O)c2cccc(Br)c2C#N)CCCO1	ZINC000330670103	554154718	/nfs/dbraw/zinc/15/47/18/554154718.db2.gz	LFYDPRVFVUZFJU-ZDUSSCGKSA-N	-1	3	359.245	2.168	20	30		FEEDHM
COCC[C@@](C)(C#N)[N-]S(=O)(=O)Cc1ccccc1C(F)(F)F	ZINC000508140708	561753215	/nfs/dbraw/zinc/75/32/15/561753215.db2.gz	AUJGCLQXQXLIAQ-ZDUSSCGKSA-N	-1	3	350.362	2.444	20	30		FEEDHM
N#C[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br	ZINC000331343626	554249517	/nfs/dbraw/zinc/24/95/17/554249517.db2.gz	PAPDMHCFQATINZ-LDYMZIIASA-N	-1	3	374.216	2.328	20	30		FEEDHM
C=CCOc1ccc(C[N-]S(=O)(=O)c2cc(C(=O)OC)co2)cc1	ZINC000509619721	561807638	/nfs/dbraw/zinc/80/76/38/561807638.db2.gz	RJUBFSPTMXBXLX-UHFFFAOYSA-N	-1	3	351.380	2.110	20	30		FEEDHM
C[C@H](C#N)S(=O)(=O)[N-][C@H](c1nc2ccccc2n1C)c1ccccc1	ZINC000510776236	561846147	/nfs/dbraw/zinc/84/61/47/561846147.db2.gz	BZKPECQJTHFKFP-DYVFJYSZSA-N	-1	3	354.435	2.494	20	30		FEEDHM
N#CCC1(CNC(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)CC1	ZINC000366797321	555936214	/nfs/dbraw/zinc/93/62/14/555936214.db2.gz	JZNYSCUPLZAIOQ-UHFFFAOYSA-N	-1	3	356.426	2.446	20	30		FEEDHM
C#CCCCS(=O)(=O)[N-][C@@H](c1nc[nH]n1)c1cccc(C(F)(F)F)c1	ZINC000367774773	556135597	/nfs/dbraw/zinc/13/55/97/556135597.db2.gz	HGMPFWKMMIVZEF-CYBMUJFWSA-N	-1	3	372.372	2.246	20	30		FEEDHM
N#Cc1ccc(CNC(=O)CSc2n[n-]c(-c3ccccn3)n2)cc1	ZINC000514888316	561985201	/nfs/dbraw/zinc/98/52/01/561985201.db2.gz	SOEUYFXDXVZOQO-UHFFFAOYSA-N	-1	3	350.407	2.147	20	30		FEEDHM
C=CCn1c(=O)[n-]nc1SC[C@H]1Cn2c(nnc2-c2cccnc2)S1	ZINC000373198355	557648330	/nfs/dbraw/zinc/64/83/30/557648330.db2.gz	OTXXZCRIHBPIDF-LLVKDONJSA-N	-1	3	373.467	2.090	20	30		FEEDHM
Cc1nnc([C@H]([N-]S(=O)(=O)c2ccc(C#N)s2)c2ccccc2)n1C	ZINC000373819310	557766314	/nfs/dbraw/zinc/76/63/14/557766314.db2.gz	KMIANJBZLNQLKL-OAHLLOKOSA-N	-1	3	373.463	2.125	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]C2CCN(Cc3cscn3)CC2)s1	ZINC000373820605	557766321	/nfs/dbraw/zinc/76/63/21/557766321.db2.gz	XLAGOTQZAYHOEX-UHFFFAOYSA-N	-1	3	368.509	2.019	20	30		FEEDHM
Cc1cn2c(n1)CC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C2	ZINC000374847121	557940112	/nfs/dbraw/zinc/94/01/12/557940112.db2.gz	QNVGDXOQRWHNIV-GFCCVEGCSA-N	-1	3	350.831	2.010	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]C2CCN(CC3CCCCC3)CC2)o1	ZINC000376244229	558146900	/nfs/dbraw/zinc/14/69/00/558146900.db2.gz	SWJUFUNFHUMMPC-UHFFFAOYSA-N	-1	3	351.472	2.474	20	30		FEEDHM
C[C@H]1C[C@@H](C[N-]S(=O)(=O)c2ccc(C#N)o2)CN1Cc1ccccc1	ZINC000376318755	558157180	/nfs/dbraw/zinc/15/71/80/558157180.db2.gz	BERRJIZSPOIIHS-HOCLYGCPSA-N	-1	3	359.451	2.340	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]Cc2cccc(C(=O)NC3CC3)c2)c(F)c1	ZINC000523562925	562215357	/nfs/dbraw/zinc/21/53/57/562215357.db2.gz	ALAQOVYAAWECGZ-UHFFFAOYSA-N	-1	3	373.409	2.068	20	30		FEEDHM
CCc1cnc(S(=O)(=O)Cc2cn(C)nc2-c2ccc(C#N)cc2)[n-]1	ZINC000378625808	558596543	/nfs/dbraw/zinc/59/65/43/558596543.db2.gz	UJUVNSIXADPGMD-UHFFFAOYSA-N	-1	3	355.423	2.218	20	30		FEEDHM
CCc1c[n-]c(S(=O)(=O)Cc2cn(C)nc2-c2ccc(C#N)cc2)n1	ZINC000378625808	558596547	/nfs/dbraw/zinc/59/65/47/558596547.db2.gz	UJUVNSIXADPGMD-UHFFFAOYSA-N	-1	3	355.423	2.218	20	30		FEEDHM
CCN(C[C@H](C)C#N)S(=O)(=O)[N-][C@@H](CC(C)C)C(=O)OC(C)(C)C	ZINC000409498720	558697716	/nfs/dbraw/zinc/69/77/16/558697716.db2.gz	IAQQKCZFYDOJNW-KGLIPLIRSA-N	-1	3	361.508	2.059	20	30		FEEDHM
O=C([N-][C@@H](c1cccc(F)c1F)C(F)(F)F)C(=O)N[C@H]1C[C@@H]1C(F)F	ZINC000411544976	558914276	/nfs/dbraw/zinc/91/42/76/558914276.db2.gz	WEXGIHGFVLRJMT-HKPALBBZSA-N	-1	3	372.240	2.454	20	30		FEEDHM
Cc1cc([N-]S(=O)(=O)c2cncc(C#N)c2)ccc1OCCN(C)C	ZINC000414387898	559160516	/nfs/dbraw/zinc/16/05/16/559160516.db2.gz	KDJCPSQMFXNYPX-UHFFFAOYSA-N	-1	3	360.439	2.003	20	30		FEEDHM
CC(C)n1cnnc1C[N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1	ZINC000414471745	559167045	/nfs/dbraw/zinc/16/70/45/559167045.db2.gz	ROLUXONLPYQKKU-UHFFFAOYSA-N	-1	3	373.360	2.228	20	30		FEEDHM
COc1c(=O)[n-]c(=O)[nH]c1C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1	ZINC000416246546	559301004	/nfs/dbraw/zinc/30/10/04/559301004.db2.gz	MQIGAENLXYEXLY-UHFFFAOYSA-N	-1	3	358.354	2.198	20	30		FEEDHM
CO[C@@](C)(C[N-]S(=O)(=O)c1cc(Br)ccc1C#N)C1CC1	ZINC000416483347	559316542	/nfs/dbraw/zinc/31/65/42/559316542.db2.gz	KQNOSQOXUMPDFX-AWEZNQCLSA-N	-1	3	373.272	2.414	20	30		FEEDHM
Cc1ccc(C[C@H](CO)[N-]S(=O)(=O)c2ccc(F)cc2C#N)cc1C	ZINC000416521510	559319583	/nfs/dbraw/zinc/31/95/83/559319583.db2.gz	YVZOOKVBMVIKLC-QGZVFWFLSA-N	-1	3	362.426	2.196	20	30		FEEDHM
C=C(C)[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cccc(Cl)c1C(=O)OC	ZINC000416530625	559320066	/nfs/dbraw/zinc/32/00/66/559320066.db2.gz	SPHDVTLBCDYYIA-NHYWBVRUSA-N	-1	3	373.858	2.386	20	30		FEEDHM
C[C@@H]1CC[C@@H](C[N-]S(=O)(=O)c2cccc(Br)c2C#N)O1	ZINC000416537348	559320394	/nfs/dbraw/zinc/32/03/94/559320394.db2.gz	SMWTXZDNQIHIIY-ZJUUUORDSA-N	-1	3	359.245	2.167	20	30		FEEDHM
N#CCc1ccc(S(=O)(=O)[N-][C@H]2CCCC(F)(F)[C@@H]2O)c(Cl)c1	ZINC000416625899	559325962	/nfs/dbraw/zinc/32/59/62/559325962.db2.gz	RMXBTRFBGCOTTM-WCQYABFASA-N	-1	3	364.801	2.233	20	30		FEEDHM
C=CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1csnc1C(=O)OC	ZINC000416637178	559326688	/nfs/dbraw/zinc/32/66/88/559326688.db2.gz	UAWQHZYROHQWEF-CYBMUJFWSA-N	-1	3	366.464	2.395	20	30		FEEDHM
N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@@H]1CCC[C@@H](CO)C1	ZINC000416645975	559327430	/nfs/dbraw/zinc/32/74/30/559327430.db2.gz	GKKJPXCABWJUIH-GHMZBOCLSA-N	-1	3	373.272	2.150	20	30		FEEDHM
CC(C)n1cc(C(C)(C)[N-]S(=O)(=O)c2ccc(F)cc2C#N)nn1	ZINC000420760465	559503009	/nfs/dbraw/zinc/50/30/09/559503009.db2.gz	JOOZNDJKKMVPMO-UHFFFAOYSA-N	-1	3	351.407	2.083	20	30		FEEDHM
COC(=O)[C@H](CNC(=O)c1ccc(C#N)cc1C)Cc1ccc([O-])c(F)c1	ZINC000422032973	559561806	/nfs/dbraw/zinc/56/18/06/559561806.db2.gz	AVFDEHCOAPKCLO-HNNXBMFYSA-N	-1	3	370.380	2.473	20	30		FEEDHM
C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1ccc(F)cc1Br	ZINC000425181366	559689854	/nfs/dbraw/zinc/68/98/54/559689854.db2.gz	WFKVAWOKUFRRPN-CABZTGNLSA-N	-1	3	364.236	2.458	20	30		FEEDHM
COC(=O)c1cnc([C@@H](C)[N-]S(=O)(=O)c2cccc(C)c2C#N)s1	ZINC000425198967	559690865	/nfs/dbraw/zinc/69/08/65/559690865.db2.gz	FAVUESMAETWUPL-SNVBAGLBSA-N	-1	3	365.436	2.149	20	30		FEEDHM
C=CCOc1ccc(C(=O)N=c2cc(OC(F)F)n(C)[n-]2)cc1OC	ZINC000427960410	559766416	/nfs/dbraw/zinc/76/64/16/559766416.db2.gz	OORARKUFEGJDJY-UHFFFAOYSA-N	-1	3	353.325	2.847	20	30		FEEDHM
Cc1ccccc1[C@H]([C@H](C)[N-]S(=O)(=O)c1cccnc1C#N)N(C)C	ZINC000428398557	559774701	/nfs/dbraw/zinc/77/47/01/559774701.db2.gz	GAHFDQIQZPFKHD-KSSFIOAISA-N	-1	3	358.467	2.231	20	30		FEEDHM
N#Cc1ccccc1OCC(=O)N=c1cc2ccc(Br)cn2[n-]1	ZINC000430150548	559814187	/nfs/dbraw/zinc/81/41/87/559814187.db2.gz	ZOVHJYQHOLTOJU-UHFFFAOYSA-N	-1	3	371.194	2.986	20	30		FEEDHM
CS(=O)(=O)c1ccc(F)c([N-]C(=O)c2ncc(C#N)cc2Cl)c1	ZINC000431557864	559841373	/nfs/dbraw/zinc/84/13/73/559841373.db2.gz	AREWNBADXODTJV-UHFFFAOYSA-N	-1	3	353.762	2.402	20	30		FEEDHM
CCC[C@H](C)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1C#N	ZINC000431613304	559842621	/nfs/dbraw/zinc/84/26/21/559842621.db2.gz	FEUFKYMUMFFCRV-NSHDSACASA-N	-1	3	357.863	2.042	20	30		FEEDHM
Cc1cc([N-]S(=O)(=O)c2cc(C#N)ccc2C)n(C2CCN(C)CC2)n1	ZINC000432367755	559857473	/nfs/dbraw/zinc/85/74/73/559857473.db2.gz	IVRAQVPUYQFELH-UHFFFAOYSA-N	-1	3	373.482	2.439	20	30		FEEDHM
Cc1cc(C[N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)on1	ZINC000432862173	559866380	/nfs/dbraw/zinc/86/63/80/559866380.db2.gz	YXGTUIWPUQGUBY-UHFFFAOYSA-N	-1	3	356.201	2.096	20	30		FEEDHM
CC1(C)CCCN(C(=O)CCn2[n-]c(=O)c3ccccc3c2=O)[C@@H]1C#N	ZINC000434023109	559892538	/nfs/dbraw/zinc/89/25/38/559892538.db2.gz	SZTPQUBVBAUDCN-OAHLLOKOSA-N	-1	3	354.410	2.033	20	30		FEEDHM
COc1cc(NCC[N-]S(=O)(=O)c2ccc(C#N)s2)cc(OC)c1	ZINC000435421715	559922463	/nfs/dbraw/zinc/92/24/63/559922463.db2.gz	KRAVZGCGUQBZNA-UHFFFAOYSA-N	-1	3	367.452	2.027	20	30		FEEDHM
CCN(CC)C(=O)C1([N-]S(=O)(=O)c2ccc(C#N)s2)CCCCC1	ZINC000435424735	559922521	/nfs/dbraw/zinc/92/25/21/559922521.db2.gz	ADKIKERPXKWCPQ-UHFFFAOYSA-N	-1	3	369.512	2.469	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]Cc2ccccc2Cn2cccn2)s1	ZINC000435431724	559922791	/nfs/dbraw/zinc/92/27/91/559922791.db2.gz	KEQGOFDLJVNXTC-UHFFFAOYSA-N	-1	3	358.448	2.343	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]CC(=O)Nc2cccc3cccnc32)s1	ZINC000435446634	559923364	/nfs/dbraw/zinc/92/33/64/559923364.db2.gz	LDMUFDILLZAEEC-UHFFFAOYSA-N	-1	3	372.431	2.085	20	30		FEEDHM
Cc1c([N-]S(=O)(=O)c2ccc(C#N)s2)c(=O)n(-c2ccccc2)n1C	ZINC000435501678	559924281	/nfs/dbraw/zinc/92/42/81/559924281.db2.gz	QVZPHDMPXJWLRQ-UHFFFAOYSA-N	-1	3	374.447	2.218	20	30		FEEDHM
C=C(C)[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(F)cc(C(=O)OCC)c1	ZINC000435587394	559925620	/nfs/dbraw/zinc/92/56/20/559925620.db2.gz	CNHAQGWLYWWNMF-LRDDRELGSA-N	-1	3	371.430	2.262	20	30		FEEDHM
N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc(O)cc2[O-])cc1	ZINC000436743525	559950579	/nfs/dbraw/zinc/95/05/79/559950579.db2.gz	HJHPHNKLCCUUSD-HNNXBMFYSA-N	-1	3	369.402	2.123	20	30		FEEDHM
N#Cc1ccc(NCC[N-]S(=O)(=O)c2ccc(F)cc2F)c(F)c1	ZINC000440670604	560015964	/nfs/dbraw/zinc/01/59/64/560015964.db2.gz	UZAIRFMBXBQKAL-UHFFFAOYSA-N	-1	3	355.341	2.366	20	30		FEEDHM
N#Cc1ccc(CNCC[N-]S(=O)(=O)c2ccc(F)cc2F)c(F)c1	ZINC000441386949	560030861	/nfs/dbraw/zinc/03/08/61/560030861.db2.gz	PZAKSJUEEBZYRJ-UHFFFAOYSA-N	-1	3	369.368	2.044	20	30		FEEDHM
C=CCC(CC=C)C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F	ZINC000441408421	560031643	/nfs/dbraw/zinc/03/16/43/560031643.db2.gz	IRERFJWRRAHZPD-UHFFFAOYSA-N	-1	3	358.410	2.128	20	30		FEEDHM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]Cc1cc(F)cc(F)c1	ZINC000443095825	560070550	/nfs/dbraw/zinc/07/05/50/560070550.db2.gz	HGINKTCIDVTJJI-UHFFFAOYSA-N	-1	3	353.306	2.223	20	30		FEEDHM
CN(C)[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1ccco1	ZINC000443100728	560070787	/nfs/dbraw/zinc/07/07/87/560070787.db2.gz	GRBBACAILCDZRR-CYBMUJFWSA-N	-1	3	353.831	2.386	20	30		FEEDHM
N#Cc1c(Cl)cccc1S(=O)(=O)[N-]Cc1ccc(OCCO)cc1	ZINC000443187789	560073921	/nfs/dbraw/zinc/07/39/21/560073921.db2.gz	DHLYBRAUEAWPJO-UHFFFAOYSA-N	-1	3	366.826	2.061	20	30		FEEDHM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H]1C[C@H]1Cc1ccccc1	ZINC000443242874	560075898	/nfs/dbraw/zinc/07/58/98/560075898.db2.gz	CKQGHOBUCYAHNO-HIFRSBDPSA-N	-1	3	357.391	2.376	20	30		FEEDHM
COc1cc([C@@H](C#N)NC(=O)Cc2ccc([O-])c(F)c2)cc(OC)c1OC	ZINC000448842857	560202283	/nfs/dbraw/zinc/20/22/83/560202283.db2.gz	AQXSQRRPRKSBQF-CQSZACIVSA-N	-1	3	374.368	2.481	20	30		FEEDHM
Cc1[nH]c(C#N)cc1C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1	ZINC000449981952	560246976	/nfs/dbraw/zinc/24/69/76/560246976.db2.gz	ZKARPCJZNBXDNQ-UHFFFAOYSA-N	-1	3	362.386	2.027	20	30		FEEDHM
Cc1nc(C(C)(C)[N-]S(=O)(=O)c2ccc(CC#N)cc2Cl)no1	ZINC000451151496	560290086	/nfs/dbraw/zinc/29/00/86/560290086.db2.gz	BBKUTDMYJIWGAH-UHFFFAOYSA-N	-1	3	354.819	2.311	20	30		FEEDHM
Cc1cc(C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)ncc1C#N	ZINC000457570419	560575650	/nfs/dbraw/zinc/57/56/50/560575650.db2.gz	GRZBGQOWWQDKRM-UHFFFAOYSA-N	-1	3	364.405	2.002	20	30		FEEDHM
C[C@H]1CCC[C@H](C)N1CC[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000467154692	560905207	/nfs/dbraw/zinc/90/52/07/560905207.db2.gz	ZTTPLMLPRGHERJ-RYUDHWBXSA-N	-1	3	357.426	2.378	20	30		FEEDHM
N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)NCc2ncccc2[O-])n1	ZINC000469931733	560969159	/nfs/dbraw/zinc/96/91/59/560969159.db2.gz	XMKXVHRIMVGTQW-UHFFFAOYSA-N	-1	3	368.784	2.820	20	30		FEEDHM
Cc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)CCCC#N)n2)cc1F	ZINC000471886048	561013767	/nfs/dbraw/zinc/01/37/67/561013767.db2.gz	FJKDKHCWJYMCOQ-NSHDSACASA-N	-1	3	352.391	2.468	20	30		FEEDHM
C=CCN(C(=O)c1csc(=O)[n-]1)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000472101474	561018189	/nfs/dbraw/zinc/01/81/89/561018189.db2.gz	GACSXQFETNHYFZ-NSHDSACASA-N	-1	3	356.411	2.214	20	30		FEEDHM
CC1(C)OC[C@H]2C[C@]21[N-]S(=O)(=O)c1cccc(Br)c1C#N	ZINC000528494602	562332362	/nfs/dbraw/zinc/33/23/62/562332362.db2.gz	QVBXFHAVLUWHJN-OTYXRUKQSA-N	-1	3	371.256	2.167	20	30		FEEDHM
N#Cc1ccc(C2(NC(=O)c3cc(=O)[n-]c(C4CC4)n3)CCOCC2)cc1	ZINC000530060734	562396428	/nfs/dbraw/zinc/39/64/28/562396428.db2.gz	OOYATRUEHODXQB-UHFFFAOYSA-N	-1	3	364.405	2.367	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCc1c[nH]c2ncccc12	ZINC000533100302	562498509	/nfs/dbraw/zinc/49/85/09/562498509.db2.gz	BZDTUAOFKPWZOY-UHFFFAOYSA-N	-1	3	363.421	2.444	20	30		FEEDHM
C=CC[C@H](CO)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F	ZINC000537020758	562584215	/nfs/dbraw/zinc/58/42/15/562584215.db2.gz	NBYJPVRIXRLGFI-VIFPVBQESA-N	-1	3	368.333	2.077	20	30		FEEDHM
CN1CCC(n2cc([N-]S(=O)(=O)c3cccc(CC#N)c3)cn2)CC1	ZINC000601979919	567894980	/nfs/dbraw/zinc/89/49/80/567894980.db2.gz	SSDGPSWGYSRQNQ-UHFFFAOYSA-N	-1	3	359.455	2.017	20	30		FEEDHM
Cc1cc(F)cc2c1[n-]cc(C(=O)N1C[C@@H](C)N(CC#N)[C@@H](C)C1)c2=O	ZINC000603098872	568060307	/nfs/dbraw/zinc/06/03/07/568060307.db2.gz	ILNIWBYURLCIFJ-BETUJISGSA-N	-1	3	356.401	2.034	20	30		FEEDHM
N#CCc1ccc(CS(=O)(=O)[N-]Cc2cc(C(F)(F)F)on2)cc1	ZINC000603386079	568094563	/nfs/dbraw/zinc/09/45/63/568094563.db2.gz	TYIDXUZUBICNTR-UHFFFAOYSA-N	-1	3	359.329	2.379	20	30		FEEDHM
N#C[C@@H](NC(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)cc1	ZINC000737676736	598826151	/nfs/dbraw/zinc/82/61/51/598826151.db2.gz	XJWHVCOHXLXAIE-OAHLLOKOSA-N	-1	3	352.785	2.444	20	30		FEEDHM
N#C[C@@H](NC(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)cc1	ZINC000737676736	598826152	/nfs/dbraw/zinc/82/61/52/598826152.db2.gz	XJWHVCOHXLXAIE-OAHLLOKOSA-N	-1	3	352.785	2.444	20	30		FEEDHM
C[C@@H](CC#N)OC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1	ZINC000735975110	598858263	/nfs/dbraw/zinc/85/82/63/598858263.db2.gz	MWYXWVOMFYHLDF-NSHDSACASA-N	-1	3	353.338	2.498	20	30		FEEDHM
COC(=O)[C@@H](c1ccc(C#N)cc1)N(C)Cc1cccc(-c2nnn[n-]2)c1	ZINC000736905082	598860231	/nfs/dbraw/zinc/86/02/31/598860231.db2.gz	ACQHIGJNXUSMAB-QGZVFWFLSA-N	-1	3	362.393	2.084	20	30		FEEDHM
COC(=O)[C@@H](c1ccc(C#N)cc1)N(C)Cc1cccc(-c2nn[n-]n2)c1	ZINC000736905082	598860232	/nfs/dbraw/zinc/86/02/32/598860232.db2.gz	ACQHIGJNXUSMAB-QGZVFWFLSA-N	-1	3	362.393	2.084	20	30		FEEDHM
C[C@@H](COc1cccc(C#N)c1)OC(=O)Cc1ccc(-c2nnn[n-]2)cc1	ZINC000736036737	598889318	/nfs/dbraw/zinc/88/93/18/598889318.db2.gz	AAZGAIYLXLRIRP-ZDUSSCGKSA-N	-1	3	363.377	2.292	20	30		FEEDHM
C[C@@H](COc1cccc(C#N)c1)OC(=O)Cc1ccc(-c2nn[n-]n2)cc1	ZINC000736036737	598889320	/nfs/dbraw/zinc/88/93/20/598889320.db2.gz	AAZGAIYLXLRIRP-ZDUSSCGKSA-N	-1	3	363.377	2.292	20	30		FEEDHM
COc1ccc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c(OC)c1	ZINC000737072173	598918244	/nfs/dbraw/zinc/91/82/44/598918244.db2.gz	RBRMEVAXJJKRFH-UHFFFAOYSA-N	-1	3	350.338	2.008	20	30		FEEDHM
COc1ccc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c(OC)c1	ZINC000737072173	598918245	/nfs/dbraw/zinc/91/82/45/598918245.db2.gz	RBRMEVAXJJKRFH-UHFFFAOYSA-N	-1	3	350.338	2.008	20	30		FEEDHM
CCOc1ccccc1OCC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1	ZINC000736654905	598918558	/nfs/dbraw/zinc/91/85/58/598918558.db2.gz	MYDWDHATUUMQJV-UHFFFAOYSA-N	-1	3	364.365	2.155	20	30		FEEDHM
CCOc1ccccc1OCC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1	ZINC000736654905	598918560	/nfs/dbraw/zinc/91/85/60/598918560.db2.gz	MYDWDHATUUMQJV-UHFFFAOYSA-N	-1	3	364.365	2.155	20	30		FEEDHM
C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccc(C#N)c(C#N)c1	ZINC000736182913	598919425	/nfs/dbraw/zinc/91/94/25/598919425.db2.gz	HQAMDFKBHBEYRP-LLVKDONJSA-N	-1	3	359.349	2.016	20	30		FEEDHM
C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccc(C#N)c(C#N)c1	ZINC000736182913	598919427	/nfs/dbraw/zinc/91/94/27/598919427.db2.gz	HQAMDFKBHBEYRP-LLVKDONJSA-N	-1	3	359.349	2.016	20	30		FEEDHM
C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1	ZINC000736173284	598920794	/nfs/dbraw/zinc/92/07/94/598920794.db2.gz	GBYUBJKYCOLNPW-JTQLQIEISA-N	-1	3	352.329	2.283	20	30		FEEDHM
C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1	ZINC000736173284	598920795	/nfs/dbraw/zinc/92/07/95/598920795.db2.gz	GBYUBJKYCOLNPW-JTQLQIEISA-N	-1	3	352.329	2.283	20	30		FEEDHM
N#Cc1cc(NC(=O)C=Cc2cnc3ccccc3n2)ccc1-c1nnn[n-]1	ZINC000737705929	598925550	/nfs/dbraw/zinc/92/55/50/598925550.db2.gz	RSUBTJSYFKNVLV-VURMDHGXSA-N	-1	3	368.360	2.333	20	30		FEEDHM
N#Cc1cc(NC(=O)C=Cc2cnc3ccccc3n2)ccc1-c1nn[n-]n1	ZINC000737705929	598925551	/nfs/dbraw/zinc/92/55/51/598925551.db2.gz	RSUBTJSYFKNVLV-VURMDHGXSA-N	-1	3	368.360	2.333	20	30		FEEDHM
Oc1ccc(Br)c(C=NNCc2ccc(-c3nn[n-]n3)cc2)c1	ZINC000823726982	607254891	/nfs/dbraw/zinc/25/48/91/607254891.db2.gz	KATMWDFFKHPUML-UHFFFAOYSA-N	-1	3	373.214	2.459	20	30		FEEDHM
C=CCOc1cccc(N[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)c1	ZINC000735436518	599092453	/nfs/dbraw/zinc/09/24/53/599092453.db2.gz	LUGHVPXPUBZZRG-MRXNPFEDSA-N	-1	3	350.382	2.070	20	30		FEEDHM
C=CCOc1cccc(N[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)c1	ZINC000735436518	599092456	/nfs/dbraw/zinc/09/24/56/599092456.db2.gz	LUGHVPXPUBZZRG-MRXNPFEDSA-N	-1	3	350.382	2.070	20	30		FEEDHM
C=CC[C@@H](C)NC(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1	ZINC000735409826	599213455	/nfs/dbraw/zinc/21/34/55/599213455.db2.gz	MCCIPUWJYGEIEV-CYBMUJFWSA-N	-1	3	356.430	2.384	20	30		FEEDHM
C=CC[C@@H](C)NC(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1	ZINC000735409826	599213457	/nfs/dbraw/zinc/21/34/57/599213457.db2.gz	MCCIPUWJYGEIEV-CYBMUJFWSA-N	-1	3	356.430	2.384	20	30		FEEDHM
N#Cc1ccc(F)c(CN2CCN(c3ccccc3-c3nnn[n-]3)CC2)c1	ZINC000737717158	598253989	/nfs/dbraw/zinc/25/39/89/598253989.db2.gz	ADONWRFSGKPPPA-UHFFFAOYSA-N	-1	3	363.400	2.200	20	30		FEEDHM
N#Cc1ccc(F)c(CN2CCN(c3ccccc3-c3nn[n-]n3)CC2)c1	ZINC000737717158	598253991	/nfs/dbraw/zinc/25/39/91/598253991.db2.gz	ADONWRFSGKPPPA-UHFFFAOYSA-N	-1	3	363.400	2.200	20	30		FEEDHM
C#CCOc1ccc(C=C2N=C(c3ccc(-c4nnn[n-]4)cc3)OC2=O)cc1	ZINC000735379988	598378213	/nfs/dbraw/zinc/37/82/13/598378213.db2.gz	AOLQJBBOXBEGAY-SFQUDFHCSA-N	-1	3	371.356	2.223	20	30		FEEDHM
C#CCOc1ccc(C=C2N=C(c3ccc(-c4nn[n-]n4)cc3)OC2=O)cc1	ZINC000735379988	598378215	/nfs/dbraw/zinc/37/82/15/598378215.db2.gz	AOLQJBBOXBEGAY-SFQUDFHCSA-N	-1	3	371.356	2.223	20	30		FEEDHM
C=C1CCN(C(=O)CSc2nc(C)c(C)c(C)c2-c2nnn[n-]2)CC1	ZINC000735402046	598535508	/nfs/dbraw/zinc/53/55/08/598535508.db2.gz	GAXUFRHVWLQIOL-UHFFFAOYSA-N	-1	3	358.471	2.458	20	30		FEEDHM
C=C1CCN(C(=O)CSc2nc(C)c(C)c(C)c2-c2nn[n-]n2)CC1	ZINC000735402046	598535510	/nfs/dbraw/zinc/53/55/10/598535510.db2.gz	GAXUFRHVWLQIOL-UHFFFAOYSA-N	-1	3	358.471	2.458	20	30		FEEDHM
CC(N=Nc1ccccc1S(C)(=O)=O)c1ccc(-c2nn[n-]n2)cc1	ZINC000735451045	598638607	/nfs/dbraw/zinc/63/86/07/598638607.db2.gz	NLEWTDKMCNLZKE-UHFFFAOYSA-N	-1	3	356.411	2.106	20	30		FEEDHM
C=CCOc1ccccc1CNC(=O)COc1cccc(-c2nnn[n-]2)c1	ZINC000735436643	598667293	/nfs/dbraw/zinc/66/72/93/598667293.db2.gz	QINPYKNWKKCLGJ-UHFFFAOYSA-N	-1	3	365.393	2.127	20	30		FEEDHM
C=CCOc1ccccc1CNC(=O)COc1cccc(-c2nn[n-]n2)c1	ZINC000735436643	598667294	/nfs/dbraw/zinc/66/72/94/598667294.db2.gz	QINPYKNWKKCLGJ-UHFFFAOYSA-N	-1	3	365.393	2.127	20	30		FEEDHM
C[C@H](C#N)CNC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1	ZINC000735506369	598691493	/nfs/dbraw/zinc/69/14/93/598691493.db2.gz	WKNAGRSMNJDHHD-CYBMUJFWSA-N	-1	3	362.393	2.335	20	30		FEEDHM
C[C@H](C#N)CNC(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1	ZINC000735506369	598691495	/nfs/dbraw/zinc/69/14/95/598691495.db2.gz	WKNAGRSMNJDHHD-CYBMUJFWSA-N	-1	3	362.393	2.335	20	30		FEEDHM
N#Cc1ccc(NC(=O)Cn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)cc1	ZINC000737717061	598723110	/nfs/dbraw/zinc/72/31/10/598723110.db2.gz	YDSCJNGWXOQGBS-UHFFFAOYSA-N	-1	3	370.376	2.241	20	30		FEEDHM
N#Cc1ccc(NC(=O)Cn2ccc(-c3ccc(-c4nn[n-]n4)cc3)n2)cc1	ZINC000737717061	598723112	/nfs/dbraw/zinc/72/31/12/598723112.db2.gz	YDSCJNGWXOQGBS-UHFFFAOYSA-N	-1	3	370.376	2.241	20	30		FEEDHM
C=CCCO[C@@H](C)C(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1	ZINC000735416552	598745488	/nfs/dbraw/zinc/74/54/88/598745488.db2.gz	NAHLLMWQCBEZLS-AWEZNQCLSA-N	-1	3	371.441	2.218	20	30		FEEDHM
N#Cc1ccnc(N2CCN(c3ccc(Cl)cc3-c3nnn[n-]3)CC2)c1	ZINC000737727567	598792374	/nfs/dbraw/zinc/79/23/74/598792374.db2.gz	OLSZGBQILBXRFV-UHFFFAOYSA-N	-1	3	366.816	2.113	20	30		FEEDHM
N#Cc1ccnc(N2CCN(c3ccc(Cl)cc3-c3nn[n-]n3)CC2)c1	ZINC000737727567	598792375	/nfs/dbraw/zinc/79/23/75/598792375.db2.gz	OLSZGBQILBXRFV-UHFFFAOYSA-N	-1	3	366.816	2.113	20	30		FEEDHM
COC(=O)[C@H](N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccc(C#N)cc1	ZINC000821641169	599391837	/nfs/dbraw/zinc/39/18/37/599391837.db2.gz	XGITYVFAPCFWGZ-YVEFUNNKSA-N	-1	3	362.393	2.303	20	30		FEEDHM
COC(=O)[C@H](N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccc(C#N)cc1	ZINC000821641169	599391838	/nfs/dbraw/zinc/39/18/38/599391838.db2.gz	XGITYVFAPCFWGZ-YVEFUNNKSA-N	-1	3	362.393	2.303	20	30		FEEDHM
CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCc1cc(C#N)ccc1F	ZINC000821612005	599461832	/nfs/dbraw/zinc/46/18/32/599461832.db2.gz	DOPDLTCJUOTMAN-UHFFFAOYSA-N	-1	3	365.372	2.219	20	30		FEEDHM
CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCc1cc(C#N)ccc1F	ZINC000821612005	599461835	/nfs/dbraw/zinc/46/18/35/599461835.db2.gz	DOPDLTCJUOTMAN-UHFFFAOYSA-N	-1	3	365.372	2.219	20	30		FEEDHM
O=C1C(=Cc2cnc3ccc(-c4nnn[n-]4)cn23)COc2c(F)cccc21	ZINC000738288753	599464247	/nfs/dbraw/zinc/46/42/47/599464247.db2.gz	FNYNLFQFDQANLI-WDZFZDKYSA-N	-1	3	362.324	2.312	20	30		FEEDHM
O=C1C(=Cc2cnc3ccc(-c4nn[n-]n4)cn23)COc2c(F)cccc21	ZINC000738288753	599464249	/nfs/dbraw/zinc/46/42/49/599464249.db2.gz	FNYNLFQFDQANLI-WDZFZDKYSA-N	-1	3	362.324	2.312	20	30		FEEDHM
C[C@@H](NC(=O)[C@H](C)Oc1ccccc1C#N)c1cccc(-c2nnn[n-]2)c1	ZINC000820548722	599509814	/nfs/dbraw/zinc/50/98/14/599509814.db2.gz	FVQZMWQAGMHIHL-OLZOCXBDSA-N	-1	3	362.393	2.383	20	30		FEEDHM
C[C@@H](NC(=O)[C@H](C)Oc1ccccc1C#N)c1cccc(-c2nn[n-]n2)c1	ZINC000820548722	599509816	/nfs/dbraw/zinc/50/98/16/599509816.db2.gz	FVQZMWQAGMHIHL-OLZOCXBDSA-N	-1	3	362.393	2.383	20	30		FEEDHM
N#Cc1cccc(-c2nnc(COC(=O)c3ccc(-c4nnn[n-]4)cc3)o2)c1	ZINC000822837926	599648896	/nfs/dbraw/zinc/64/88/96/599648896.db2.gz	YYYSDTBLVOFAGG-UHFFFAOYSA-N	-1	3	373.332	2.145	20	30		FEEDHM
N#Cc1cccc(-c2nnc(COC(=O)c3ccc(-c4nn[n-]n4)cc3)o2)c1	ZINC000822837926	599648897	/nfs/dbraw/zinc/64/88/97/599648897.db2.gz	YYYSDTBLVOFAGG-UHFFFAOYSA-N	-1	3	373.332	2.145	20	30		FEEDHM
C#CCN(C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1)C1CCCCC1	ZINC000819697768	599677206	/nfs/dbraw/zinc/67/72/06/599677206.db2.gz	KKBSDVZWNGRTDA-UHFFFAOYSA-N	-1	3	368.441	2.223	20	30		FEEDHM
C=C(C)CN(CC)C(=O)[C@@H](C)OC(=O)c1ccc(-c2nnn[n-]2)cc1C	ZINC000823878416	607389156	/nfs/dbraw/zinc/38/91/56/607389156.db2.gz	YGFRWNODQRUOKB-CYBMUJFWSA-N	-1	3	357.414	2.145	20	30		FEEDHM
C=C(C)CN(CC)C(=O)[C@@H](C)OC(=O)c1ccc(-c2nn[n-]n2)cc1C	ZINC000823878416	607389157	/nfs/dbraw/zinc/38/91/57/607389157.db2.gz	YGFRWNODQRUOKB-CYBMUJFWSA-N	-1	3	357.414	2.145	20	30		FEEDHM
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NC1CCC(C(=O)[O-])CC1	ZINC000737370344	600026491	/nfs/dbraw/zinc/02/64/91/600026491.db2.gz	PEXVNCYBJPFSMT-UHFFFAOYSA-N	-1	3	372.469	2.275	20	30		FEEDHM
COc1ccc(Cn2c(C)nnc2-c2cccc(C#N)c2)cc1-c1nnn[n-]1	ZINC000826208487	607548121	/nfs/dbraw/zinc/54/81/21/607548121.db2.gz	MWTHDCAYBBQGKK-UHFFFAOYSA-N	-1	3	372.392	2.362	20	30		FEEDHM
COc1ccc(Cn2c(C)nnc2-c2cccc(C#N)c2)cc1-c1nn[n-]n1	ZINC000826208487	607548123	/nfs/dbraw/zinc/54/81/23/607548123.db2.gz	MWTHDCAYBBQGKK-UHFFFAOYSA-N	-1	3	372.392	2.362	20	30		FEEDHM
CN(C[C@H]1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1)C(=O)[O-]	ZINC000739658519	602542985	/nfs/dbraw/zinc/54/29/85/602542985.db2.gz	FENFOHOIWPOSKW-CHWSQXEVSA-N	-1	3	372.450	2.404	20	30		FEEDHM
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCC[C@@H](NC(=O)[O-])C1	ZINC000739606454	603170120	/nfs/dbraw/zinc/17/01/20/603170120.db2.gz	UAJKIHADDQRONJ-ZWKOTPCHSA-N	-1	3	372.469	2.275	20	30		FEEDHM
C=C(C)CN1CCC(NC(=O)N[C@@H]2CCCC[C@@H]2CNC(=O)[O-])CC1	ZINC000823480655	603768275	/nfs/dbraw/zinc/76/82/75/603768275.db2.gz	KCBBHGUCIINSKF-GDBMZVCRSA-N	-1	3	352.479	2.153	20	30		FEEDHM
COc1cccc(NC(=O)C(C#N)C(=O)[C@@H]2CCC[C@@H](NC(=O)[O-])C2)c1	ZINC000829569668	604219407	/nfs/dbraw/zinc/21/94/07/604219407.db2.gz	FTWLZTMPNZXIAY-LALPHHSUSA-N	-1	3	359.382	2.169	20	30		FEEDHM
CCOC(=O)Nc1ccc(NC(=O)C2(C#N)CCCC2)cc1-c1nnn[n-]1	ZINC000825530812	607759931	/nfs/dbraw/zinc/75/99/31/607759931.db2.gz	FXNDHJAJAUUYRS-UHFFFAOYSA-N	-1	3	369.385	2.458	20	30		FEEDHM
CCOC(=O)Nc1ccc(NC(=O)C2(C#N)CCCC2)cc1-c1nn[n-]n1	ZINC000825530812	607759932	/nfs/dbraw/zinc/75/99/32/607759932.db2.gz	FXNDHJAJAUUYRS-UHFFFAOYSA-N	-1	3	369.385	2.458	20	30		FEEDHM
N#C[C@@H](c1ccc(F)cc1)N1CCN(CC2CCN(C(=O)[O-])CC2)CC1	ZINC000833964729	605772402	/nfs/dbraw/zinc/77/24/02/605772402.db2.gz	OAFPSVFSMRYLAZ-SFHVURJKSA-N	-1	3	360.433	2.398	20	30		FEEDHM
N#C[C@H](c1ccccc1)N1CCN(Cc2ccccc2-c2nn[n-]n2)CC1	ZINC000822801931	606071984	/nfs/dbraw/zinc/07/19/84/606071984.db2.gz	RMCWVSAVIKAFQG-LJQANCHMSA-N	-1	3	359.437	2.249	20	30		FEEDHM
COc1cc(C)nc(N=NC2CCCc3cc(-c4nnn[n-]4)ccc32)n1	ZINC000821712070	606166334	/nfs/dbraw/zinc/16/63/34/606166334.db2.gz	CHTVOLMJDAXMMW-UHFFFAOYSA-N	-1	3	350.386	2.126	20	30		FEEDHM
COc1cc(C)nc(N=NC2CCCc3cc(-c4nn[n-]n4)ccc32)n1	ZINC000821712070	606166336	/nfs/dbraw/zinc/16/63/36/606166336.db2.gz	CHTVOLMJDAXMMW-UHFFFAOYSA-N	-1	3	350.386	2.126	20	30		FEEDHM
N#Cc1cccc(N[C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)c1	ZINC000822837197	606243677	/nfs/dbraw/zinc/24/36/77/606243677.db2.gz	JCPHNBYHHUKMKT-CYBMUJFWSA-N	-1	3	351.395	2.017	20	30		FEEDHM
N#Cc1cccc(N[C@@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)c1	ZINC000822837197	606243679	/nfs/dbraw/zinc/24/36/79/606243679.db2.gz	JCPHNBYHHUKMKT-CYBMUJFWSA-N	-1	3	351.395	2.017	20	30		FEEDHM
CCCNc1ccc(C#N)cc1NC(=O)c1cc(-c2nnn[n-]2)cn1C	ZINC000821128480	606291405	/nfs/dbraw/zinc/29/14/05/606291405.db2.gz	VDHQGTTYPLBWPS-UHFFFAOYSA-N	-1	3	350.386	2.151	20	30		FEEDHM
CCCNc1ccc(C#N)cc1NC(=O)c1cc(-c2nn[n-]n2)cn1C	ZINC000821128480	606291407	/nfs/dbraw/zinc/29/14/07/606291407.db2.gz	VDHQGTTYPLBWPS-UHFFFAOYSA-N	-1	3	350.386	2.151	20	30		FEEDHM
COC(=O)[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1cccc(-c2nnn[n-]2)c1	ZINC000821640627	606309844	/nfs/dbraw/zinc/30/98/44/606309844.db2.gz	LRILIJBACLCRCJ-SJCJKPOMSA-N	-1	3	362.393	2.303	20	30		FEEDHM
COC(=O)[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1cccc(-c2nn[n-]n2)c1	ZINC000821640627	606309846	/nfs/dbraw/zinc/30/98/46/606309846.db2.gz	LRILIJBACLCRCJ-SJCJKPOMSA-N	-1	3	362.393	2.303	20	30		FEEDHM
N#CCCN(CC(F)(F)F)C(=O)C=Cc1ccccc1-c1nnn[n-]1	ZINC000822806783	606372447	/nfs/dbraw/zinc/37/24/47/606372447.db2.gz	TWICSXSEYVHLBE-SREVYHEPSA-N	-1	3	350.304	2.184	20	30		FEEDHM
N#CCCN(CC(F)(F)F)C(=O)C=Cc1ccccc1-c1nn[n-]n1	ZINC000822806783	606372448	/nfs/dbraw/zinc/37/24/48/606372448.db2.gz	TWICSXSEYVHLBE-SREVYHEPSA-N	-1	3	350.304	2.184	20	30		FEEDHM
O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1ccc2c(c1)NC(=O)CO2	ZINC000823542407	606389889	/nfs/dbraw/zinc/38/98/89/606389889.db2.gz	VWYBBPBZHUKOIQ-DUXPYHPUSA-N	-1	3	353.363	2.155	20	30		FEEDHM
CN(C(=O)COc1ccccc1C#N)c1cc(Cl)ccc1-c1nnn[n-]1	ZINC000821570872	606412664	/nfs/dbraw/zinc/41/26/64/606412664.db2.gz	OWLOSXIUSHNOBI-UHFFFAOYSA-N	-1	3	368.784	2.434	20	30		FEEDHM
CN(C(=O)COc1ccccc1C#N)c1cc(Cl)ccc1-c1nn[n-]n1	ZINC000821570872	606412665	/nfs/dbraw/zinc/41/26/65/606412665.db2.gz	OWLOSXIUSHNOBI-UHFFFAOYSA-N	-1	3	368.784	2.434	20	30		FEEDHM
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)cn1	ZINC000822801638	606447404	/nfs/dbraw/zinc/44/74/04/606447404.db2.gz	LOHVAWIYPIUUPM-DOTOQJQBSA-N	-1	3	359.393	2.174	20	30		FEEDHM
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)cn1	ZINC000822801638	606447406	/nfs/dbraw/zinc/44/74/06/606447406.db2.gz	LOHVAWIYPIUUPM-DOTOQJQBSA-N	-1	3	359.393	2.174	20	30		FEEDHM
C[C@H](COc1cccc(C#N)c1)OC(=O)c1cc(-c2nnn[n-]2)cs1	ZINC000820294449	606466057	/nfs/dbraw/zinc/46/60/57/606466057.db2.gz	SPKYNAFGRMRCTK-SNVBAGLBSA-N	-1	3	355.379	2.424	20	30		FEEDHM
C[C@H](COc1cccc(C#N)c1)OC(=O)c1cc(-c2nn[n-]n2)cs1	ZINC000820294449	606466059	/nfs/dbraw/zinc/46/60/59/606466059.db2.gz	SPKYNAFGRMRCTK-SNVBAGLBSA-N	-1	3	355.379	2.424	20	30		FEEDHM
C=CCN(Cc1cccc(C#N)c1)C(=O)Cc1cccc(-c2nnn[n-]2)c1	ZINC000819745471	606537450	/nfs/dbraw/zinc/53/74/50/606537450.db2.gz	FIBPABPNNGCKRG-UHFFFAOYSA-N	-1	3	358.405	2.496	20	30		FEEDHM
C=CCN(Cc1cccc(C#N)c1)C(=O)Cc1cccc(-c2nn[n-]n2)c1	ZINC000819745471	606537452	/nfs/dbraw/zinc/53/74/52/606537452.db2.gz	FIBPABPNNGCKRG-UHFFFAOYSA-N	-1	3	358.405	2.496	20	30		FEEDHM
C[C@](C#N)(CCc1ccccc1)NC(=O)Cc1cccc(-c2nnn[n-]2)c1	ZINC000819844471	606556093	/nfs/dbraw/zinc/55/60/93/606556093.db2.gz	IPGDINYMBLZEJP-HXUWFJFHSA-N	-1	3	360.421	2.440	20	30		FEEDHM
C[C@](C#N)(CCc1ccccc1)NC(=O)Cc1cccc(-c2nn[n-]n2)c1	ZINC000819844471	606556094	/nfs/dbraw/zinc/55/60/94/606556094.db2.gz	IPGDINYMBLZEJP-HXUWFJFHSA-N	-1	3	360.421	2.440	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1C[C@@H](OC)C1(C)C	ZINC000819744072	606616837	/nfs/dbraw/zinc/61/68/37/606616837.db2.gz	VIOLAWCNEITKNH-HZPDHXFCSA-N	-1	3	370.457	2.378	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1C[C@@H](OC)C1(C)C	ZINC000819744072	606616838	/nfs/dbraw/zinc/61/68/38/606616838.db2.gz	VIOLAWCNEITKNH-HZPDHXFCSA-N	-1	3	370.457	2.378	20	30		FEEDHM
CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1c(F)cc(C#N)cc1F	ZINC000821608371	606668150	/nfs/dbraw/zinc/66/81/50/606668150.db2.gz	DHQCLBRHTYATMN-UHFFFAOYSA-N	-1	3	354.320	2.289	20	30		FEEDHM
CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1c(F)cc(C#N)cc1F	ZINC000821608371	606668151	/nfs/dbraw/zinc/66/81/51/606668151.db2.gz	DHQCLBRHTYATMN-UHFFFAOYSA-N	-1	3	354.320	2.289	20	30		FEEDHM
N#Cc1cccc(S(=O)(=O)Nc2cc(-c3nn[n-]n3)ccc2Cl)c1	ZINC000822837701	606711928	/nfs/dbraw/zinc/71/19/28/606711928.db2.gz	SKYPROCCTWQSMK-UHFFFAOYSA-N	-1	3	360.786	2.193	20	30		FEEDHM
O=C(C=NOCCCOc1cccc(-c2nnn[n-]2)c1)Nc1ccccc1	ZINC000822935055	606838261	/nfs/dbraw/zinc/83/82/61/606838261.db2.gz	GFWKKTYZRQKILT-UHFFFAOYSA-N	-1	3	366.381	2.277	20	30		FEEDHM
O=C(C=NOCCCOc1cccc(-c2nn[n-]n2)c1)Nc1ccccc1	ZINC000822935055	606838262	/nfs/dbraw/zinc/83/82/62/606838262.db2.gz	GFWKKTYZRQKILT-UHFFFAOYSA-N	-1	3	366.381	2.277	20	30		FEEDHM
C=CCC(CC=C)C(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1	ZINC000819734279	606916244	/nfs/dbraw/zinc/91/62/44/606916244.db2.gz	KTWCMKGPZUYTHF-UHFFFAOYSA-N	-1	3	366.469	2.279	20	30		FEEDHM
Fc1ccc(CON=Cc2cnn(-c3ccccc3)n2)c(-c2nnn[n-]2)c1	ZINC000822771717	606982838	/nfs/dbraw/zinc/98/28/38/606982838.db2.gz	KISVXQQOKCSTCQ-UHFFFAOYSA-N	-1	3	364.344	2.137	20	30		FEEDHM
Fc1ccc(CON=Cc2cnn(-c3ccccc3)n2)c(-c2nn[n-]n2)c1	ZINC000822771717	606982839	/nfs/dbraw/zinc/98/28/39/606982839.db2.gz	KISVXQQOKCSTCQ-UHFFFAOYSA-N	-1	3	364.344	2.137	20	30		FEEDHM
CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)NCC#Cc1ccccc1	ZINC000819996895	606986675	/nfs/dbraw/zinc/98/66/75/606986675.db2.gz	MYFCTMYMPZRIPS-UHFFFAOYSA-N	-1	3	361.405	2.192	20	30		FEEDHM
CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCC#Cc1ccccc1	ZINC000819996895	606986676	/nfs/dbraw/zinc/98/66/76/606986676.db2.gz	MYFCTMYMPZRIPS-UHFFFAOYSA-N	-1	3	361.405	2.192	20	30		FEEDHM
COc1ccc(C=CC(=O)c2cn(-c3ccccc3)nn2)cc1-c1nnn[n-]1	ZINC000821786978	607023741	/nfs/dbraw/zinc/02/37/41/607023741.db2.gz	MQAHOQTUQFJHQC-VQHVLOKHSA-N	-1	3	373.376	2.352	20	30		FEEDHM
COc1ccc(C=CC(=O)c2cn(-c3ccccc3)nn2)cc1-c1nn[n-]n1	ZINC000821786978	607023742	/nfs/dbraw/zinc/02/37/42/607023742.db2.gz	MQAHOQTUQFJHQC-VQHVLOKHSA-N	-1	3	373.376	2.352	20	30		FEEDHM
COc1cc(-c2nnn[n-]2)ccc1OCCOc1cccc(F)c1C#N	ZINC000826176308	607864452	/nfs/dbraw/zinc/86/44/52/607864452.db2.gz	JTTITUJQWHEYPO-UHFFFAOYSA-N	-1	3	355.329	2.344	20	30		FEEDHM
COc1cc(-c2nn[n-]n2)ccc1OCCOc1cccc(F)c1C#N	ZINC000826176308	607864453	/nfs/dbraw/zinc/86/44/53/607864453.db2.gz	JTTITUJQWHEYPO-UHFFFAOYSA-N	-1	3	355.329	2.344	20	30		FEEDHM
C#CCOCCC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1	ZINC000823850587	607903258	/nfs/dbraw/zinc/90/32/58/607903258.db2.gz	RYKLPOODFLXXGO-UHFFFAOYSA-N	-1	3	367.434	2.251	20	30		FEEDHM
N#Cc1cc(-c2nnn[n-]2)c(N)nc1SCc1csc(C2CC2)n1	ZINC000826383590	607966029	/nfs/dbraw/zinc/96/60/29/607966029.db2.gz	HVKNCTZJUKHMSH-UHFFFAOYSA-N	-1	3	356.440	2.342	20	30		FEEDHM
N#Cc1cc(-c2nn[n-]n2)c(N)nc1SCc1csc(C2CC2)n1	ZINC000826383590	607966030	/nfs/dbraw/zinc/96/60/30/607966030.db2.gz	HVKNCTZJUKHMSH-UHFFFAOYSA-N	-1	3	356.440	2.342	20	30		FEEDHM
C=C[C@@H](CC(=O)NCCNc1ccc(-c2nnn[n-]2)cn1)c1ccccc1	ZINC000823883231	607970952	/nfs/dbraw/zinc/97/09/52/607970952.db2.gz	LQVQLQSBDKMXOE-AWEZNQCLSA-N	-1	3	363.425	2.150	20	30		FEEDHM
C=C[C@@H](CC(=O)NCCNc1ccc(-c2nn[n-]n2)cn1)c1ccccc1	ZINC000823883231	607970953	/nfs/dbraw/zinc/97/09/53/607970953.db2.gz	LQVQLQSBDKMXOE-AWEZNQCLSA-N	-1	3	363.425	2.150	20	30		FEEDHM
C#C[C@H](Cc1ccccc1)OC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1	ZINC000823837519	608011991	/nfs/dbraw/zinc/01/19/91/608011991.db2.gz	DJPOMXKLRITPFV-GOEBONIOSA-N	-1	3	362.389	2.422	20	30		FEEDHM
C#C[C@H](Cc1ccccc1)OC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1	ZINC000823837519	608011992	/nfs/dbraw/zinc/01/19/92/608011992.db2.gz	DJPOMXKLRITPFV-GOEBONIOSA-N	-1	3	362.389	2.422	20	30		FEEDHM
C=CCCC(=O)COC(=O)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(C)C	ZINC000823888388	608056887	/nfs/dbraw/zinc/05/68/87/608056887.db2.gz	LAIQNZJZLBPSHH-INIZCTEOSA-N	-1	3	358.398	2.349	20	30		FEEDHM
C=CCCC(=O)COC(=O)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(C)C	ZINC000823888388	608056888	/nfs/dbraw/zinc/05/68/88/608056888.db2.gz	LAIQNZJZLBPSHH-INIZCTEOSA-N	-1	3	358.398	2.349	20	30		FEEDHM
C=C(C)[C@@H](CC(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1)OCC	ZINC000823873975	608086654	/nfs/dbraw/zinc/08/66/54/608086654.db2.gz	QTDAFHOSCMPMMH-IAGOWNOFSA-N	-1	3	371.441	2.138	20	30		FEEDHM
C=C(C)[C@@H](CC(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1)OCC	ZINC000823873975	608086655	/nfs/dbraw/zinc/08/66/55/608086655.db2.gz	QTDAFHOSCMPMMH-IAGOWNOFSA-N	-1	3	371.441	2.138	20	30		FEEDHM
Cc1oc(NC(=O)[C@@H](C)N2CCC[C@@](C)(C#N)C2)c(-c2nnn[n-]2)c1C	ZINC000826341668	608126155	/nfs/dbraw/zinc/12/61/55/608126155.db2.gz	NDVWGFQBDOPPQN-DIFFPNOSSA-N	-1	3	357.418	2.029	20	30		FEEDHM
COc1ccc(-c2nnn[n-]2)cc1CON=Cc1c(C)nc2sccn12	ZINC000826185087	608152387	/nfs/dbraw/zinc/15/23/87/608152387.db2.gz	XYOUVOZELOPJGJ-UHFFFAOYSA-N	-1	3	369.410	2.444	20	30		FEEDHM
COc1ccc(-c2nn[n-]n2)cc1CON=Cc1c(C)nc2sccn12	ZINC000826185087	608152389	/nfs/dbraw/zinc/15/23/89/608152389.db2.gz	XYOUVOZELOPJGJ-UHFFFAOYSA-N	-1	3	369.410	2.444	20	30		FEEDHM
C=CCCO[C@@H](C)C(=O)Nc1nc2cc(-c3nnn[n-]3)ccc2n1CC	ZINC000823899435	608176514	/nfs/dbraw/zinc/17/65/14/608176514.db2.gz	WCRMORBBXAFBLG-NSHDSACASA-N	-1	3	355.402	2.156	20	30		FEEDHM
C=CCCO[C@@H](C)C(=O)Nc1nc2cc(-c3nn[n-]n3)ccc2n1CC	ZINC000823899435	608176516	/nfs/dbraw/zinc/17/65/16/608176516.db2.gz	WCRMORBBXAFBLG-NSHDSACASA-N	-1	3	355.402	2.156	20	30		FEEDHM
Cc1nn2c(C=NNc3cc(-c4nn[n-]n4)cc(Cl)n3)c(C)nc2s1	ZINC000826334623	608539407	/nfs/dbraw/zinc/53/94/07/608539407.db2.gz	CAIVQDOUKUSUAQ-UHFFFAOYSA-N	-1	3	374.821	2.082	20	30		FEEDHM
C=CC[C@H](CO)CNC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1	ZINC000823888808	608561793	/nfs/dbraw/zinc/56/17/93/608561793.db2.gz	XGAARHGLFVPALO-AWEZNQCLSA-N	-1	3	363.421	2.448	20	30		FEEDHM
C=CC[C@H](CO)CNC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1	ZINC000823888808	608561799	/nfs/dbraw/zinc/56/17/99/608561799.db2.gz	XGAARHGLFVPALO-AWEZNQCLSA-N	-1	3	363.421	2.448	20	30		FEEDHM
N#CC1(COC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)CCCC1	ZINC000826379906	609157600	/nfs/dbraw/zinc/15/76/00/609157600.db2.gz	GNYIASNXIAQTLD-MRXNPFEDSA-N	-1	3	366.425	2.463	20	30		FEEDHM
CC(=Nn1cc(Br)cn1)c1ccc(-c2nnn[n-]2)c(F)c1	ZINC000823962251	609160638	/nfs/dbraw/zinc/16/06/38/609160638.db2.gz	IHOBENUMYGZGDV-UHFFFAOYSA-N	-1	3	350.155	2.237	20	30		FEEDHM
CC(=Nn1cc(Br)cn1)c1ccc(-c2nn[n-]n2)c(F)c1	ZINC000823962251	609160639	/nfs/dbraw/zinc/16/06/39/609160639.db2.gz	IHOBENUMYGZGDV-UHFFFAOYSA-N	-1	3	350.155	2.237	20	30		FEEDHM
Cc1ccc(C#N)c(NCc2nc(-c3cccc(-c4nnn[n-]4)c3)c[nH]2)n1	ZINC000826281029	609166411	/nfs/dbraw/zinc/16/64/11/609166411.db2.gz	ABGQZNGPUSBVJU-UHFFFAOYSA-N	-1	3	357.381	2.444	20	30		FEEDHM
Cc1ccc(C#N)c(NCc2nc(-c3cccc(-c4nn[n-]n4)c3)c[nH]2)n1	ZINC000826281029	609166413	/nfs/dbraw/zinc/16/64/13/609166413.db2.gz	ABGQZNGPUSBVJU-UHFFFAOYSA-N	-1	3	357.381	2.444	20	30		FEEDHM
COc1cc(-c2nnn[n-]2)ccc1COC(=O)Cc1ccccc1CC#N	ZINC000826171853	609243336	/nfs/dbraw/zinc/24/33/36/609243336.db2.gz	AUCDYTLWQVMSQV-UHFFFAOYSA-N	-1	3	363.377	2.227	20	30		FEEDHM
COc1cc(-c2nn[n-]n2)ccc1COC(=O)Cc1ccccc1CC#N	ZINC000826171853	609243337	/nfs/dbraw/zinc/24/33/37/609243337.db2.gz	AUCDYTLWQVMSQV-UHFFFAOYSA-N	-1	3	363.377	2.227	20	30		FEEDHM
N#Cc1cc(CNc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)ccn1	ZINC000826383784	609279558	/nfs/dbraw/zinc/27/95/58/609279558.db2.gz	PXSSTUUFHFJLIA-UHFFFAOYSA-N	-1	3	361.344	2.070	20	30		FEEDHM
Cc1nnc(SCCOc2cccc(-c3nnn[n-]3)c2)c(C#N)c1C	ZINC000826336587	609308334	/nfs/dbraw/zinc/30/83/34/609308334.db2.gz	FCKFUAXAPONZDR-UHFFFAOYSA-N	-1	3	353.411	2.316	20	30		FEEDHM
Cc1nnc(SCCOc2cccc(-c3nn[n-]n3)c2)c(C#N)c1C	ZINC000826336587	609308336	/nfs/dbraw/zinc/30/83/36/609308336.db2.gz	FCKFUAXAPONZDR-UHFFFAOYSA-N	-1	3	353.411	2.316	20	30		FEEDHM
CCn1cc(C(=O)C=Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)cn1	ZINC000825799314	609309070	/nfs/dbraw/zinc/30/90/70/609309070.db2.gz	JAEXUMKPHGKQNG-CMDGGOBGSA-N	-1	3	374.408	2.380	20	30		FEEDHM
CCn1cc(C(=O)C=Cc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)cn1	ZINC000825799314	609309072	/nfs/dbraw/zinc/30/90/72/609309072.db2.gz	JAEXUMKPHGKQNG-CMDGGOBGSA-N	-1	3	374.408	2.380	20	30		FEEDHM
O=C1[C@@H](ON=Cc2cccs2)CCCN1c1ccc(-c2nnn[n-]2)cc1	ZINC000826477650	609428812	/nfs/dbraw/zinc/42/88/12/609428812.db2.gz	ILSJZDUTYAXAFT-HNNXBMFYSA-N	-1	3	368.422	2.474	20	30		FEEDHM
O=C1[C@@H](ON=Cc2cccs2)CCCN1c1ccc(-c2nn[n-]n2)cc1	ZINC000826477650	609428815	/nfs/dbraw/zinc/42/88/15/609428815.db2.gz	ILSJZDUTYAXAFT-HNNXBMFYSA-N	-1	3	368.422	2.474	20	30		FEEDHM
N#Cc1ccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)cc1	ZINC000826386232	609533578	/nfs/dbraw/zinc/53/35/78/609533578.db2.gz	VMZUVJVWVIVKSZ-UHFFFAOYSA-N	-1	3	361.770	2.159	20	30		FEEDHM
N#Cc1ccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)cc1	ZINC000826386232	609533580	/nfs/dbraw/zinc/53/35/80/609533580.db2.gz	VMZUVJVWVIVKSZ-UHFFFAOYSA-N	-1	3	361.770	2.159	20	30		FEEDHM
Cc1cc(C(=O)N[C@H](C#N)C(C)(C)C)nn1-c1cccc(-c2nnn[n-]2)c1	ZINC000826258469	609592083	/nfs/dbraw/zinc/59/20/83/609592083.db2.gz	MNPUUWNFFHVCIT-OAHLLOKOSA-N	-1	3	364.413	2.029	20	30		FEEDHM
Cc1cc(C(=O)N[C@H](C#N)C(C)(C)C)nn1-c1cccc(-c2nn[n-]n2)c1	ZINC000826258469	609592084	/nfs/dbraw/zinc/59/20/84/609592084.db2.gz	MNPUUWNFFHVCIT-OAHLLOKOSA-N	-1	3	364.413	2.029	20	30		FEEDHM
N#Cc1cc([O-])cc(C(=O)OCC(=O)N2CCC[C@H](C(F)(F)F)C2)c1	ZINC000811186551	674586890	/nfs/dbraw/zinc/58/68/90/674586890.db2.gz	QJXNAFMPQDQEOJ-LBPRGKRZSA-N	-1	3	356.300	2.222	20	30		FEEDHM
O=C(CCSc1ccc(Br)cc1)N[C@@H]1CCN([O-])C1=O	ZINC000816693504	675073422	/nfs/dbraw/zinc/07/34/22/675073422.db2.gz	MFNWQMUHJUFVRZ-LLVKDONJSA-N	-1	3	359.245	2.038	20	30		FEEDHM
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N[C@@H]1CCN([O-])C1=O	ZINC000816695540	675073621	/nfs/dbraw/zinc/07/36/21/675073621.db2.gz	FGDKALWWVNRIFS-LLVKDONJSA-N	-1	3	351.815	2.492	20	30		FEEDHM
CC(C)c1c(C(=O)N[C@@H]2CCN([O-])C2=O)cnn1-c1ccc(Cl)cc1	ZINC000816696335	675073885	/nfs/dbraw/zinc/07/38/85/675073885.db2.gz	WPJGNMQIVOYENR-CQSZACIVSA-N	-1	3	362.817	2.369	20	30		FEEDHM
C[C@H](Sc1ccc(Br)cc1)C(=O)N[C@@H]1CCCN([O-])C1=O	ZINC000816755712	675077672	/nfs/dbraw/zinc/07/76/72/675077672.db2.gz	HLDCXJKETQCZDX-JOYOIKCWSA-N	-1	3	373.272	2.426	20	30		FEEDHM
O=C(CCCOc1ccccc1Br)N[C@@H]1CCCN([O-])C1=O	ZINC000816758444	675077949	/nfs/dbraw/zinc/07/79/49/675077949.db2.gz	PTBRMIUQEZYMFQ-GFCCVEGCSA-N	-1	3	371.231	2.105	20	30		FEEDHM
COC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2ccc(C#N)cc2F)c1	ZINC000576972795	671408224	/nfs/dbraw/zinc/40/82/24/671408224.db2.gz	AATLNNVTLIQJBG-UHFFFAOYSA-N	-1	3	352.318	2.424	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)NCCCCSC)ccc1F	ZINC000126310254	672023322	/nfs/dbraw/zinc/02/33/22/672023322.db2.gz	PMRRRNQKLNAOKO-UHFFFAOYSA-N	-1	3	360.476	2.163	20	30		FEEDHM
CCOC(=O)c1ccc(C[N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)o1	ZINC000610590685	675983524	/nfs/dbraw/zinc/98/35/24/675983524.db2.gz	MVEKGRHXTPYBFJ-UHFFFAOYSA-N	-1	3	368.798	2.460	20	30		FEEDHM
C#Cc1cccc(NC(=O)C[N-]S(=O)(=O)c2cc(F)c(C)cc2F)c1	ZINC000178126667	672389185	/nfs/dbraw/zinc/38/91/85/672389185.db2.gz	QWLOEEAFMVVKGB-UHFFFAOYSA-N	-1	3	364.373	2.172	20	30		FEEDHM
O=C(CC(=O)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1)[N-]CC(F)(F)F	ZINC000679445110	672496439	/nfs/dbraw/zinc/49/64/39/672496439.db2.gz	ORHISCRZGMDDTL-WDSKDSINSA-N	-1	3	374.203	2.254	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-][C@H]2CC[C@@](O)(C(F)(F)F)C2)c(Cl)c1	ZINC000589921899	672547373	/nfs/dbraw/zinc/54/73/73/672547373.db2.gz	CPGJZHNVERFMCF-CABZTGNLSA-N	-1	3	368.764	2.336	20	30		FEEDHM
CCNc1ccc(C#N)cc1[N-]S(=O)(=O)C[C@H](OC)C1CCOCC1	ZINC000592351822	672790254	/nfs/dbraw/zinc/79/02/54/672790254.db2.gz	CJAFEXUSIUGBRK-KRWDZBQOSA-N	-1	3	367.471	2.173	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(N)ccc2C)ccc1F	ZINC000237588470	672810637	/nfs/dbraw/zinc/81/06/37/672810637.db2.gz	UDSPOYXGOLTVEZ-UHFFFAOYSA-N	-1	3	363.414	2.433	20	30		FEEDHM
Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N[C@H]1CC(C)(C)OC1(C)C	ZINC000329256006	673074314	/nfs/dbraw/zinc/07/43/14/673074314.db2.gz	XKTRUWUGIVTICJ-JQWIXIFHSA-N	-1	3	373.475	2.261	20	30		FEEDHM
Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-]C[C@@H](O)C(F)(F)F	ZINC000594779588	673139917	/nfs/dbraw/zinc/13/99/17/673139917.db2.gz	KNJJSLAKVQOUKW-LLVKDONJSA-N	-1	3	364.370	2.283	20	30		FEEDHM
C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)c2ncnn21	ZINC000594805924	673149213	/nfs/dbraw/zinc/14/92/13/673149213.db2.gz	DYHUWJLWKAMOSA-LDYMZIIASA-N	-1	3	371.344	2.153	20	30		FEEDHM
Cc1noc(C)c1S(=O)(=O)[N-]C1(c2cccc(C#N)c2)CCOCC1	ZINC000594860734	673168194	/nfs/dbraw/zinc/16/81/94/673168194.db2.gz	DJXJNHMNTPRGHY-UHFFFAOYSA-N	-1	3	361.423	2.147	20	30		FEEDHM
C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)n1ccc(C=N[O-])nc1=O	ZINC000736302634	673518688	/nfs/dbraw/zinc/51/86/88/673518688.db2.gz	OMVZVLDJLCNGIK-SECBINFHSA-N	-1	3	354.288	2.270	20	30		FEEDHM
C=C(Cl)C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1	ZINC000736342157	673520966	/nfs/dbraw/zinc/52/09/66/673520966.db2.gz	MYKVJMJTQCNTKH-UHFFFAOYSA-N	-1	3	355.597	2.388	20	30		FEEDHM
CCCN(CCC)S(=O)(=O)[N-]c1cc(C#N)ccc1OCCOC	ZINC000542237250	673568630	/nfs/dbraw/zinc/56/86/30/673568630.db2.gz	OGYBGZCXSKYJCM-UHFFFAOYSA-N	-1	3	355.460	2.362	20	30		FEEDHM
Cc1ccc(N=Cc2ccc(O)c([O-])c2O)cc1S(=O)(=O)NC1CC1	ZINC000740763306	673653521	/nfs/dbraw/zinc/65/35/21/673653521.db2.gz	GDNFUGANBKPTOK-UHFFFAOYSA-N	-1	3	362.407	2.303	20	30		FEEDHM
COC(=O)c1sc2[n-]c(CN3CCC(CC#N)CC3)nc(=O)c2c1C	ZINC000543809723	673671879	/nfs/dbraw/zinc/67/18/79/673671879.db2.gz	AIOMXXXHQWYYRP-UHFFFAOYSA-N	-1	3	360.439	2.205	20	30		FEEDHM
CCC(C#N)(CC)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1	ZINC000599708374	673708481	/nfs/dbraw/zinc/70/84/81/673708481.db2.gz	WNRRBEDOTFAXTB-UHFFFAOYSA-N	-1	3	363.892	2.126	20	30		FEEDHM
CC(=N[N-]S(=O)(=O)CCc1ccccc1)c1nc2ccccc2n1C	ZINC000743448660	673760122	/nfs/dbraw/zinc/76/01/22/673760122.db2.gz	ZBIPAPXCGNMGJG-UHFFFAOYSA-N	-1	3	356.451	2.459	20	30		FEEDHM
O=C1CN(N=Cc2ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc2)C(=O)[N-]1	ZINC000744810135	673812112	/nfs/dbraw/zinc/81/21/12/673812112.db2.gz	MABRDRZQGBJVNR-SNVBAGLBSA-N	-1	3	369.221	2.444	20	30		FEEDHM
COc1ccc(COC(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1C#N	ZINC000746978734	673899807	/nfs/dbraw/zinc/89/98/07/673899807.db2.gz	NGXMTSJYHPCFQX-UHFFFAOYSA-N	-1	3	360.391	2.295	20	30		FEEDHM
Cn1ccnc1[C@H]1OCCC[C@@H]1[N-]S(=O)(=O)CC1(C#N)CCCCC1	ZINC000548008855	673914266	/nfs/dbraw/zinc/91/42/66/673914266.db2.gz	IXCBZCZERZIVEK-GJZGRUSLSA-N	-1	3	366.487	2.034	20	30		FEEDHM
C=CCn1cc(C[N-]S(=O)(=O)c2cc(C(=O)CC)ccc2Cl)nn1	ZINC000819893236	675320717	/nfs/dbraw/zinc/32/07/17/675320717.db2.gz	PRMRAMMRJQBTEX-UHFFFAOYSA-N	-1	3	368.846	2.189	20	30		FEEDHM
Cc1cc(C)c(CC(=O)N[C@H]2CCN([O-])C2=O)c(C)c1Br	ZINC000820120887	675337189	/nfs/dbraw/zinc/33/71/89/675337189.db2.gz	TXJYSXQOAXWYMA-LBPRGKRZSA-N	-1	3	355.232	2.023	20	30		FEEDHM
O=C(N[C@@H]1CCN([O-])C1=O)c1ccc(Cl)cc1NCC(F)(F)F	ZINC000820126851	675337777	/nfs/dbraw/zinc/33/77/77/675337777.db2.gz	HDXNAVAQKUQNML-SECBINFHSA-N	-1	3	351.712	2.034	20	30		FEEDHM
O=C(CCCC(=O)c1ccc(Cl)c(Cl)c1)N[C@@H]1CCN([O-])C1=O	ZINC000820149914	675339726	/nfs/dbraw/zinc/33/97/26/675339726.db2.gz	TXOURMKLYCGVIW-GFCCVEGCSA-N	-1	3	359.209	2.453	20	30		FEEDHM
CC[C@@H](Cc1cccc(Br)c1)C(=O)N[C@@H]1CCN([O-])C1=O	ZINC000820157336	675340002	/nfs/dbraw/zinc/34/00/02/675340002.db2.gz	VYGHAIYMYDKMJJ-WCQYABFASA-N	-1	3	355.232	2.124	20	30		FEEDHM
CC(C)(C(=O)N[C@H]1CCCN([O-])C1=O)c1ccc(Br)cc1	ZINC000820471237	675364461	/nfs/dbraw/zinc/36/44/61/675364461.db2.gz	QCFNCHUGMBTWBK-LBPRGKRZSA-N	-1	3	355.232	2.223	20	30		FEEDHM
O=C(N[C@@H]1CCCN([O-])C1=O)c1cc(Cl)cc(F)c1Br	ZINC000820477311	675364886	/nfs/dbraw/zinc/36/48/86/675364886.db2.gz	XCFJGAJBAWXUFW-SECBINFHSA-N	-1	3	365.586	2.352	20	30		FEEDHM
O=C(C/C=C/c1ccc(Br)cc1)N[C@@H]1CCCN([O-])C1=O	ZINC000820543932	675368652	/nfs/dbraw/zinc/36/86/52/675368652.db2.gz	BIDBGVPVWUXFQQ-KNVIWWDSSA-N	-1	3	353.216	2.349	20	30		FEEDHM
O=C(N[C@H]1CCCN([O-])C1=O)c1nccc2c(Br)cccc21	ZINC000820544390	675368821	/nfs/dbraw/zinc/36/88/21/675368821.db2.gz	JOMFZRHYTMVMSY-LBPRGKRZSA-N	-1	3	364.199	2.107	20	30		FEEDHM
Cc1cccc2[nH]c(C(C#N)=C([O-])c3ccc(CS(C)(=O)=O)o3)nc21	ZINC000605362951	675811773	/nfs/dbraw/zinc/81/17/73/675811773.db2.gz	ARLXLVSXSJKDJK-GFCCVEGCSA-N	-1	3	357.391	2.499	20	30		FEEDHM
C=CCC[C@H](CO)[N-]S(=O)(=O)c1sc(Br)cc1C	ZINC000651732464	677448083	/nfs/dbraw/zinc/44/80/83/677448083.db2.gz	VXMCCEWFVFXLPY-SECBINFHSA-N	-1	3	354.291	2.424	20	30		FEEDHM
C=CCOCCC[N-]S(=O)(=O)c1ccc(Br)cc1F	ZINC000657147575	677962619	/nfs/dbraw/zinc/96/26/19/677962619.db2.gz	AXKIMJKHQJUVKG-UHFFFAOYSA-N	-1	3	352.225	2.459	20	30		FEEDHM
C#CCCc1noc(CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)n1	ZINC000762010826	680737396	/nfs/dbraw/zinc/73/73/96/680737396.db2.gz	QWUUCPJRFGGYRC-UHFFFAOYSA-N	-1	3	374.249	2.463	20	30		FEEDHM
C[C@@H](CC(=O)OCC1CC(F)(F)C1)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000835489254	680338257	/nfs/dbraw/zinc/33/82/57/680338257.db2.gz	JDSIZAYWBZILEU-JTQLQIEISA-N	-1	3	372.393	2.092	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2C[C@@]2(C)C(C)C)ccc1F	ZINC000838034448	680669808	/nfs/dbraw/zinc/66/98/08/680669808.db2.gz	DRPGNUBVYGHWBQ-RDJZCZTQSA-N	-1	3	354.447	2.454	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)CC(F)(F)F)ccc1F	ZINC000766735725	680886370	/nfs/dbraw/zinc/88/63/70/680886370.db2.gz	PGHNZLQJQGGVQV-VIFPVBQESA-N	-1	3	368.352	2.361	20	30		FEEDHM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)c1cccc(CN2CCCCC2)c1	ZINC000842330812	680939114	/nfs/dbraw/zinc/93/91/14/680939114.db2.gz	VXJCCZZKTBVHOA-UHFFFAOYSA-N	-1	3	363.483	2.282	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)NC2CC3(CCC3)C2)ccc1F	ZINC000846609290	681267454	/nfs/dbraw/zinc/26/74/54/681267454.db2.gz	JAKHLKLFUZSRMX-UHFFFAOYSA-N	-1	3	352.431	2.353	20	30		FEEDHM
CC(C)(C)SCCCOC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000775295470	681294275	/nfs/dbraw/zinc/29/42/75/681294275.db2.gz	CGEFOFDWYZXZOQ-UHFFFAOYSA-N	-1	3	370.496	2.190	20	30		FEEDHM
C[N-]S(=O)(=O)c1cc(C(=O)O[C@@H](C#N)C2CCCCC2)ccc1F	ZINC000776390977	681388406	/nfs/dbraw/zinc/38/84/06/681388406.db2.gz	BCPOVKKEWKYJNY-AWEZNQCLSA-N	-1	3	354.403	2.363	20	30		FEEDHM
N#CC1(c2ccc(C(=O)OCC(=O)[N-]C(=O)c3cccs3)cc2)CC1	ZINC000777177164	681470156	/nfs/dbraw/zinc/47/01/56/681470156.db2.gz	JVZOTKDYZRDKEK-UHFFFAOYSA-N	-1	3	354.387	2.417	20	30		FEEDHM
CC(C)Oc1cc(C(=O)N[C@H]2CCCN([O-])C2=O)ccc1Br	ZINC000848130918	681477524	/nfs/dbraw/zinc/47/75/24/681477524.db2.gz	VIBMLUYYYQOINF-LBPRGKRZSA-N	-1	3	371.231	2.346	20	30		FEEDHM
O=C([N-][C@@H]1CCCN(O)C1=O)C(F)(F)c1ccccc1Br	ZINC000848132151	681478164	/nfs/dbraw/zinc/47/81/64/681478164.db2.gz	ORGOQOAVBARESP-SNVBAGLBSA-N	-1	3	363.158	2.037	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)O[C@H]2COC(C)(C)C2)ccc1F	ZINC000849680943	681781587	/nfs/dbraw/zinc/78/15/87/681781587.db2.gz	ZGWDESDBLURIFD-GFCCVEGCSA-N	-1	3	357.403	2.014	20	30		FEEDHM
CC(C)=CCCOC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000849736827	681794796	/nfs/dbraw/zinc/79/47/96/681794796.db2.gz	XUERQKFDNQPDQM-CYBMUJFWSA-N	-1	3	350.440	2.403	20	30		FEEDHM
N#Cc1ccc(C[N-]S(=O)(=O)c2sccc2Br)nc1	ZINC000780889197	681883542	/nfs/dbraw/zinc/88/35/42/681883542.db2.gz	XUQPBWIJRUKXCW-UHFFFAOYSA-N	-1	3	358.242	2.256	20	30		FEEDHM
Cc1ncc(CO)c(C=NNC(=S)N[C@@H]2CCC[C@H](C)[C@H]2C)c1[O-]	ZINC000916352566	685523756	/nfs/dbraw/zinc/52/37/56/685523756.db2.gz	RUALWOFYIHSMIZ-FIXISWKDSA-N	-1	3	350.488	2.211	20	30		FEEDHM
C=CCCSCCNC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1	ZINC000852488046	682289111	/nfs/dbraw/zinc/28/91/11/682289111.db2.gz	TZCLMYYRGQIWIO-LBPRGKRZSA-N	-1	3	367.437	2.396	20	30		FEEDHM
C#CCOCCN1CC[C@H](c2ccccc2)[C@H]([N-]C(=O)C(F)(F)F)C1	ZINC000852672056	682317426	/nfs/dbraw/zinc/31/74/26/682317426.db2.gz	LHTHGCFSLBPGQN-HZPDHXFCSA-N	-1	3	354.372	2.173	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)OC[C@H]2CC[C@H](C)O2)ccc1F	ZINC000789017129	682573724	/nfs/dbraw/zinc/57/37/24/682573724.db2.gz	AYJKTLLASAQTPL-WCQYABFASA-N	-1	3	357.403	2.014	20	30		FEEDHM
CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OCC1(F)CC1	ZINC000789583195	682619622	/nfs/dbraw/zinc/61/96/22/682619622.db2.gz	VTAPETCIAALELA-ZDUSSCGKSA-N	-1	3	368.430	2.185	20	30		FEEDHM
CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H](CC#N)C2)ccc1F	ZINC000855260420	682645325	/nfs/dbraw/zinc/64/53/25/682645325.db2.gz	ZKGAKIOKDBFJRF-ZDUSSCGKSA-N	-1	3	367.446	2.278	20	30		FEEDHM
CC(C)(C#N)CS(=O)(=O)[N-][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O	ZINC000790049035	682652024	/nfs/dbraw/zinc/65/20/24/682652024.db2.gz	LHPBOGWPRGWSFX-CYBMUJFWSA-N	-1	3	373.837	2.054	20	30		FEEDHM
CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N1CC(C)(C)C1	ZINC000790236329	682661369	/nfs/dbraw/zinc/66/13/69/682661369.db2.gz	GBRMCNSNYPOJMS-AWEZNQCLSA-N	-1	3	363.483	2.008	20	30		FEEDHM
C#CCC[C@H](O)C[N-]S(=O)(=O)c1cccc(Br)c1Cl	ZINC000790331494	682667810	/nfs/dbraw/zinc/66/78/10/682667810.db2.gz	HUQLKZIJYCGUCN-VIFPVBQESA-N	-1	3	366.664	2.155	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2c(C)cnn2CC)ccc1F	ZINC000855752311	682708413	/nfs/dbraw/zinc/70/84/13/682708413.db2.gz	MZDVJZCYJYCIIF-UHFFFAOYSA-N	-1	3	366.418	2.067	20	30		FEEDHM
C[C@H](CC(=O)N(C)C[C@H]1CC1(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000856461469	682785471	/nfs/dbraw/zinc/78/54/71/682785471.db2.gz	GBBISFZBEMJVAN-CHWSQXEVSA-N	-1	3	363.483	2.008	20	30		FEEDHM
CSC[C@@](C)(C#N)[N-]C(=O)C(F)(F)n1cc(-c2ccccc2)nn1	ZINC000857620335	682897406	/nfs/dbraw/zinc/89/74/06/682897406.db2.gz	HNPXDHKSIPBZFS-CQSZACIVSA-N	-1	3	351.382	2.256	20	30		FEEDHM
CCN(CC1CCC1)C(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000794280016	682951865	/nfs/dbraw/zinc/95/18/65/682951865.db2.gz	DPAFDTVCZSEDGZ-ZDUSSCGKSA-N	-1	3	363.483	2.152	20	30		FEEDHM
C#CC[C@H](CCOC)[N-]S(=O)(=O)c1ccc(Br)cc1F	ZINC000859423671	683106874	/nfs/dbraw/zinc/10/68/74/683106874.db2.gz	IHPTVLXAZGCPQQ-LLVKDONJSA-N	-1	3	364.236	2.295	20	30		FEEDHM
O=C(N[C@@H](CCc1ccccc1)C(F)(F)F)N[C@H]1CCCN([O-])C1=O	ZINC000879193695	686764818	/nfs/dbraw/zinc/76/48/18/686764818.db2.gz	ZPEJCLFMMJRWEW-STQMWFEESA-N	-1	3	359.348	2.230	20	30		FEEDHM
O=C(N[C@H](c1c(F)cccc1F)C(F)(F)F)N[C@@H]1CCCN([O-])C1=O	ZINC000879267528	686784202	/nfs/dbraw/zinc/78/42/02/686784202.db2.gz	BXKYFXICMXJHGX-MWLCHTKSSA-N	-1	3	367.274	2.248	20	30		FEEDHM
COC1(CS(=O)(=O)[N-]c2ccc(C3CC3)c(C#N)c2)CCOCC1	ZINC000882791235	687492171	/nfs/dbraw/zinc/49/21/71/687492171.db2.gz	WPFZIVZWVYYYCH-UHFFFAOYSA-N	-1	3	350.440	2.373	20	30		FEEDHM
CCOC(=O)c1csc(C(C#N)=C([O-])c2c3c(nn2C)CCCC3)n1	ZINC000892624575	689219859	/nfs/dbraw/zinc/21/98/59/689219859.db2.gz	PWDMHGOMTSZOTM-NSHDSACASA-N	-1	3	358.423	2.422	20	30		FEEDHM
CCC[C@@H](C#N)[N-]S(=O)(=O)c1ccc(I)s1	ZINC000903613552	690939051	/nfs/dbraw/zinc/93/90/51/690939051.db2.gz	UYMIDNIBJTWUJO-ZETCQYMHSA-N	-1	3	370.237	2.323	20	30		FEEDHM
O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]12)N([O-])Cc1ccc(F)cc1	ZINC000904173271	691009709	/nfs/dbraw/zinc/00/97/09/691009709.db2.gz	IAFDIZSBWVFKQK-IJEWVQPXSA-N	-1	3	367.446	2.269	20	30		FEEDHM
CCS(=O)(=O)N1CCC(C(=O)N([O-])Cc2ccccc2Cl)CC1	ZINC000904187671	691011025	/nfs/dbraw/zinc/01/10/25/691011025.db2.gz	QTLPERYDMZQJTQ-UHFFFAOYSA-N	-1	3	360.863	2.120	20	30		FEEDHM
O=C(N([O-])CCCN1C(=O)c2ccccc2C1=O)C1(C(F)F)CCC1	ZINC000904186030	691011140	/nfs/dbraw/zinc/01/11/40/691011140.db2.gz	ODJNXLHMVHJBAZ-UHFFFAOYSA-N	-1	3	352.337	2.326	20	30		FEEDHM
CCCCN([O-])C(=O)[C@@H]1CCCN1C(=O)c1ccc(OC)cc1OC	ZINC000904209119	691013314	/nfs/dbraw/zinc/01/33/14/691013314.db2.gz	UXZLJMJSQRQLFU-HNNXBMFYSA-N	-1	3	350.415	2.326	20	30		FEEDHM
C#CCN1CCC(C(=O)N[C@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)CC1	ZINC000911063599	939769500	/nfs/dbraw/zinc/76/95/00/939769500.db2.gz	KXDXSGJWKMSPLP-HNNXBMFYSA-N	-1	3	368.355	2.293	20	30		FEEDHM
O=C(CCSc1ccccc1Br)N[C@@H]1CCN([O-])C1=O	ZINC000820173988	675341266	/nfs/dbraw/zinc/34/12/66/675341266.db2.gz	FSDKFTDFPAZQFJ-SNVBAGLBSA-N	-1	3	359.245	2.038	20	30		FEEDHM
COCc1ccc(CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1	ZINC000046654868	540265748	/nfs/dbraw/zinc/26/57/48/540265748.db2.gz	ABJFPIRHZOGUAO-UHFFFAOYSA-N	-1	3	353.422	2.259	20	30		FEEDHM
NC(=O)N[C@H](CC(=O)Nc1nnc(-c2ccccn2)[n-]1)c1ccccc1	ZINC000053525859	540541278	/nfs/dbraw/zinc/54/12/78/540541278.db2.gz	LZHBANFHCRQYGQ-CYBMUJFWSA-N	-1	3	351.370	2.254	20	30		FEEDHM
NC(=O)N[C@H](CC(=O)Nc1nc(-c2ccccn2)n[n-]1)c1ccccc1	ZINC000053525859	540541280	/nfs/dbraw/zinc/54/12/80/540541280.db2.gz	LZHBANFHCRQYGQ-CYBMUJFWSA-N	-1	3	351.370	2.254	20	30		FEEDHM
NC(=O)N[C@H](CC(=O)Nc1n[n-]c(-c2ccccn2)n1)c1ccccc1	ZINC000053525859	540541282	/nfs/dbraw/zinc/54/12/82/540541282.db2.gz	LZHBANFHCRQYGQ-CYBMUJFWSA-N	-1	3	351.370	2.254	20	30		FEEDHM
O=C(c1ccc2c(c1)OCCO2)C(C(=S)[N-]C1CC1)[n+]1cccc([O-])c1	ZINC000054996390	540620485	/nfs/dbraw/zinc/62/04/85/540620485.db2.gz	RRWXHBWMOQLGMD-UHFFFAOYSA-O	-1	3	371.438	2.142	20	30		FEEDHM
COC(=O)COc1cccc(C([O-])=C(C#N)c2nnc3n2CCCCC3)c1	ZINC000064102156	541194715	/nfs/dbraw/zinc/19/47/15/541194715.db2.gz	IEBXEJCLSOXTNY-HNNXBMFYSA-N	-1	3	368.393	2.046	20	30		FEEDHM
COc1ccc(C#N)cc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C	ZINC000064456297	541205843	/nfs/dbraw/zinc/20/58/43/541205843.db2.gz	PESCPVHHRXYELO-UHFFFAOYSA-N	-1	3	350.378	2.315	20	30		FEEDHM
CC(C)[C@](C)(C#N)NC(=O)CN(Cc1ccccc1[O-])C[C@@H]1CCCO1	ZINC000070976306	541755708	/nfs/dbraw/zinc/75/57/08/541755708.db2.gz	KOACMPKWKZSGME-PXNSSMCTSA-N	-1	3	359.470	2.428	20	30		FEEDHM
N#Cc1c(Cl)cccc1S(=O)(=O)[N-]Cc1nnc2n1CCCCC2	ZINC000072990000	541904354	/nfs/dbraw/zinc/90/43/54/541904354.db2.gz	SNUNHDWUAICTCU-UHFFFAOYSA-N	-1	3	365.846	2.008	20	30		FEEDHM
C[C@@H]1CCC[C@@](C#N)(NC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)C1	ZINC000116805137	543616575	/nfs/dbraw/zinc/61/65/75/543616575.db2.gz	YJPABSFFPHWFRM-BDJLRTHQSA-N	-1	3	353.419	2.399	20	30		FEEDHM
C=CCCS(=O)(=O)[N-]c1cc(S(=O)(=O)N2CCCCC2)ccc1C	ZINC000123025218	543738308	/nfs/dbraw/zinc/73/83/08/543738308.db2.gz	CPGBSTJZRYACLF-UHFFFAOYSA-N	-1	3	372.512	2.487	20	30		FEEDHM
CN(C)Cc1ccccc1C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000124087999	543800185	/nfs/dbraw/zinc/80/01/85/543800185.db2.gz	TVXWCLDQIKBMSO-UHFFFAOYSA-N	-1	3	365.405	2.377	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]CCOc2ncccc2Cl)c(F)c1	ZINC000125504640	543885942	/nfs/dbraw/zinc/88/59/42/543885942.db2.gz	SKFKTIHCKHIKNC-UHFFFAOYSA-N	-1	3	355.778	2.103	20	30		FEEDHM
N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@H](CO)Cc1ccccc1	ZINC000125953048	543910455	/nfs/dbraw/zinc/91/04/55/543910455.db2.gz	RORBHJIEVBKTJI-HNNXBMFYSA-N	-1	3	350.827	2.094	20	30		FEEDHM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1[C@H]2Cc3ccccc3[C@@H]12	ZINC000126861917	543960275	/nfs/dbraw/zinc/96/02/75/543960275.db2.gz	LQRQXHHPBRIXPB-JCURWCKSSA-N	-1	3	355.375	2.083	20	30		FEEDHM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H]1CCOC2(CCCC2)C1	ZINC000127564736	544001052	/nfs/dbraw/zinc/00/10/52/544001052.db2.gz	FWRVOENESDKRHX-LBPRGKRZSA-N	-1	3	365.411	2.237	20	30		FEEDHM
N#Cc1cc(F)c(C(=O)NCCCNC(=O)c2cccc([O-])c2)c(F)c1	ZINC000130256357	544144467	/nfs/dbraw/zinc/14/44/67/544144467.db2.gz	JLAWMEXMTFHMEY-UHFFFAOYSA-N	-1	3	359.332	2.092	20	30		FEEDHM
COC(=O)c1csc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1	ZINC000131934788	544212879	/nfs/dbraw/zinc/21/28/79/544212879.db2.gz	WQRWCFVKJFSHBR-UHFFFAOYSA-N	-1	3	359.407	2.283	20	30		FEEDHM
CN(C)[C@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1F)Cc1ccccc1	ZINC000151017035	544496282	/nfs/dbraw/zinc/49/62/82/544496282.db2.gz	PPOBNHHUCDGMPR-INIZCTEOSA-N	-1	3	361.442	2.149	20	30		FEEDHM
CN(C)[C@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1F)c1cccs1	ZINC000151013504	544496530	/nfs/dbraw/zinc/49/65/30/544496530.db2.gz	GEBLQACZABEPGD-CYBMUJFWSA-N	-1	3	353.444	2.340	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](CCCO)c1ccccc1	ZINC000153043314	544725936	/nfs/dbraw/zinc/72/59/36/544725936.db2.gz	CIZVPATWBYXXJG-IBGZPJMESA-N	-1	3	367.449	2.426	20	30		FEEDHM
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)[N-]OCCC(F)(F)F	ZINC000154882896	544961501	/nfs/dbraw/zinc/96/15/01/544961501.db2.gz	HXEWBRSIRGIZDW-UHFFFAOYSA-N	-1	3	355.320	2.151	20	30		FEEDHM
CC1(Cn2cc(C(=O)[N-]c3sc4c(c3C#N)CCCC4)nn2)COC1	ZINC000183706419	327831361	/nfs/dbraw/zinc/83/13/61/327831361.db2.gz	DOWQNRGFYJALGR-UHFFFAOYSA-N	-1	3	357.439	2.379	20	30		FEEDHM
N#Cc1c(F)cccc1C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1	ZINC000186408671	327960625	/nfs/dbraw/zinc/96/06/25/327960625.db2.gz	ILAHIESDMFXFHC-UHFFFAOYSA-N	-1	3	353.353	2.001	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)Cc1ccccc1[N+](=O)[O-]	ZINC000193231440	328364173	/nfs/dbraw/zinc/36/41/73/328364173.db2.gz	ADKJHYZGNHSRAK-UHFFFAOYSA-N	-1	3	368.393	2.363	20	30		FEEDHM
CN(C)S(=O)(=O)c1ccc(F)c([N-]C(=O)c2cc(C#N)cs2)c1	ZINC000084113106	325228142	/nfs/dbraw/zinc/22/81/42/325228142.db2.gz	PGLPEIJZYQZIAO-UHFFFAOYSA-N	-1	3	353.400	2.261	20	30		FEEDHM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C[C@H]1[C@@H]2c3ccccc3C[C@H]12	ZINC000127292192	326503806	/nfs/dbraw/zinc/50/38/06/326503806.db2.gz	PYKGUUOWBVHPQJ-DDUZABMNSA-N	-1	3	369.402	2.331	20	30		FEEDHM
CCO[C@@H]1C[C@@H](NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)[C@]12CCCO2	ZINC000274005060	329908306	/nfs/dbraw/zinc/90/83/06/329908306.db2.gz	PVUDGDBTMQRHSR-MBOZVWFJSA-N	-1	3	373.453	2.051	20	30		FEEDHM
CCO[C@@H]1C[C@H](NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)[C@@]12CCCO2	ZINC000274005062	329908309	/nfs/dbraw/zinc/90/83/09/329908309.db2.gz	PVUDGDBTMQRHSR-QKLQHJQFSA-N	-1	3	373.453	2.051	20	30		FEEDHM
COC(=O)c1c(F)ccc(S(=O)(=O)[N-]CC(C)(C)CCC#N)c1F	ZINC000805138835	674322455	/nfs/dbraw/zinc/32/24/55/674322455.db2.gz	HTBCYBAITNSNNP-UHFFFAOYSA-N	-1	3	360.382	2.360	20	30		FEEDHM
COC(=O)[C@H](CS(=O)(=O)[N-]c1ccc(CC#N)cc1)c1ccccc1	ZINC000477518042	561146791	/nfs/dbraw/zinc/14/67/91/561146791.db2.gz	BNZVULWKYZQTIM-QGZVFWFLSA-N	-1	3	358.419	2.451	20	30		FEEDHM
COC(=O)[C@@H](CS(=O)(=O)[N-]c1ccc(CC#N)cc1)c1ccccc1	ZINC000477518041	561146799	/nfs/dbraw/zinc/14/67/99/561146799.db2.gz	BNZVULWKYZQTIM-KRWDZBQOSA-N	-1	3	358.419	2.451	20	30		FEEDHM
CC(C)CCN(CCC#N)C(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1	ZINC000157665712	545769218	/nfs/dbraw/zinc/76/92/18/545769218.db2.gz	RCCHXPBFAWYNIE-IBGZPJMESA-N	-1	3	356.426	2.143	20	30		FEEDHM
N#Cc1c(N)n(-c2ccccc2)nc1CCC[N-]C(=O)C(F)(F)C(F)F	ZINC000175921978	546371901	/nfs/dbraw/zinc/37/19/01/546371901.db2.gz	UJTLCFXULJLNKV-UHFFFAOYSA-N	-1	3	369.322	2.275	20	30		FEEDHM
N#Cc1c(Cl)cccc1S(=O)(=O)[N-]Cc1ncnn1-c1ccccc1	ZINC000480412930	561208797	/nfs/dbraw/zinc/20/87/97/561208797.db2.gz	RLCBCMGVJOMUTP-UHFFFAOYSA-N	-1	3	373.825	2.271	20	30		FEEDHM
N#Cc1ccc(OCCN2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1	ZINC000177177996	546562289	/nfs/dbraw/zinc/56/22/89/546562289.db2.gz	VYNXFKRVZYIXQR-UHFFFAOYSA-N	-1	3	351.406	2.101	20	30		FEEDHM
CCOc1ccc(C#N)cc1NC(=O)NCc1nnc(C(F)(F)F)[n-]1	ZINC000480821792	561217507	/nfs/dbraw/zinc/21/75/07/561217507.db2.gz	WVIXRDXRNGNEOD-UHFFFAOYSA-N	-1	3	354.292	2.416	20	30		FEEDHM
CCOc1ccc(C#N)cc1NC(=O)NCc1n[n-]c(C(F)(F)F)n1	ZINC000480821792	561217508	/nfs/dbraw/zinc/21/75/08/561217508.db2.gz	WVIXRDXRNGNEOD-UHFFFAOYSA-N	-1	3	354.292	2.416	20	30		FEEDHM
CCOc1ccc(C#N)cc1NC(=O)NCc1nc(C(F)(F)F)n[n-]1	ZINC000480821792	561217509	/nfs/dbraw/zinc/21/75/09/561217509.db2.gz	WVIXRDXRNGNEOD-UHFFFAOYSA-N	-1	3	354.292	2.416	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]C[C@H](CO)c2ccccc2)c(Cl)c1	ZINC000180097529	547051212	/nfs/dbraw/zinc/05/12/12/547051212.db2.gz	IECHYIJRQCMISS-CQSZACIVSA-N	-1	3	350.827	2.266	20	30		FEEDHM
COc1ccc(NC(=O)C(C#N)Cn2[n-]c(C(F)(F)F)cc2=O)cc1	ZINC000181289483	547287288	/nfs/dbraw/zinc/28/72/88/547287288.db2.gz	SQKPJKTVIJFFPI-VIFPVBQESA-N	-1	3	354.288	2.395	20	30		FEEDHM
COC(=O)c1cnc(SCC(=O)Nc2ccc(C#N)c(Cl)c2)[n-]1	ZINC000484552622	561299797	/nfs/dbraw/zinc/29/97/97/561299797.db2.gz	CBKOKNVHURRZFG-UHFFFAOYSA-N	-1	3	350.787	2.452	20	30		FEEDHM
COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@@]1(C#N)CCC[C@@H](C)C1	ZINC000186581852	548154426	/nfs/dbraw/zinc/15/44/26/548154426.db2.gz	LLXHGCCSOFQPRI-HWPZZCPQSA-N	-1	3	354.428	2.434	20	30		FEEDHM
C=CC[C@H](CO)[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1	ZINC000192229656	548361068	/nfs/dbraw/zinc/36/10/68/548361068.db2.gz	FYAWJQGJVKDZIV-MRVPVSSYSA-N	-1	3	354.653	2.318	20	30		FEEDHM
CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC(C)(C)CCC(=O)[O-])cc1	ZINC000262978783	549867591	/nfs/dbraw/zinc/86/75/91/549867591.db2.gz	BRQGLNZFJMFXCE-NSHDSACASA-N	-1	3	367.427	2.137	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N(CCC#N)CC(C)(C)C	ZINC000264250051	549992804	/nfs/dbraw/zinc/99/28/04/549992804.db2.gz	KUGNQVKLLOGDMI-GFCCVEGCSA-N	-1	3	357.501	2.203	20	30		FEEDHM
CCOC(=O)Nc1ccc([N-]S(=O)(=O)C[C@H]2CCCCO2)cc1C#N	ZINC000269708779	550219013	/nfs/dbraw/zinc/21/90/13/550219013.db2.gz	PNKRNGGSLVUFPL-CQSZACIVSA-N	-1	3	367.427	2.437	20	30		FEEDHM
COC(=O)[C@@H]([N-]S(=O)(=O)CCCCC#N)c1ccc(OC)c(Cl)c1	ZINC000274648769	550547521	/nfs/dbraw/zinc/54/75/21/550547521.db2.gz	NFQRBBFVWKVVPX-AWEZNQCLSA-N	-1	3	374.846	2.176	20	30		FEEDHM
CCOC(=O)c1nnc(C2CCN(c3snc(Cl)c3C#N)CC2)[n-]1	ZINC000278133062	550752748	/nfs/dbraw/zinc/75/27/48/550752748.db2.gz	ZMSRDYSAZZNMAN-UHFFFAOYSA-N	-1	3	366.834	2.347	20	30		FEEDHM
CCOC(=O)c1nc(C2CCN(c3snc(Cl)c3C#N)CC2)n[n-]1	ZINC000278133062	550752750	/nfs/dbraw/zinc/75/27/50/550752750.db2.gz	ZMSRDYSAZZNMAN-UHFFFAOYSA-N	-1	3	366.834	2.347	20	30		FEEDHM
CCOC(=O)c1n[n-]c(C2CCN(c3snc(Cl)c3C#N)CC2)n1	ZINC000278133062	550752752	/nfs/dbraw/zinc/75/27/52/550752752.db2.gz	ZMSRDYSAZZNMAN-UHFFFAOYSA-N	-1	3	366.834	2.347	20	30		FEEDHM
CSCCC[N-]C(=S)C(C(=O)c1nccs1)[n+]1cccc([O-])c1	ZINC000278362272	550777248	/nfs/dbraw/zinc/77/72/48/550777248.db2.gz	YNHASBXVRWKKJY-UHFFFAOYSA-O	-1	3	368.529	2.418	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-]CC1CCN(c2ccccc2)CC1	ZINC000280447632	550995020	/nfs/dbraw/zinc/99/50/20/550995020.db2.gz	KXVJNDJDFWIEGS-UHFFFAOYSA-N	-1	3	356.451	2.148	20	30		FEEDHM
CCS(=O)(=O)[N-]c1ccc(NC(=O)c2cc(C#N)oc2C)cc1OC	ZINC000280729177	551026110	/nfs/dbraw/zinc/02/61/10/551026110.db2.gz	JTQYDHIBKZMSDM-UHFFFAOYSA-N	-1	3	363.395	2.482	20	30		FEEDHM
CC(C)(C)n1ncnc1C[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1	ZINC000282357203	551216917	/nfs/dbraw/zinc/21/69/17/551216917.db2.gz	PORSUOSTHNSJMT-UHFFFAOYSA-N	-1	3	353.835	2.037	20	30		FEEDHM
COc1c(F)cc(S(=O)(=O)[N-]CC2CCC(C#N)CC2)cc1[N+](=O)[O-]	ZINC000282694134	551260697	/nfs/dbraw/zinc/26/06/97/551260697.db2.gz	XMEAQHWBSQWCOH-UHFFFAOYSA-N	-1	3	371.390	2.351	20	30		FEEDHM
CC#CCCNC(=O)c1cc(C(C)C)nc2c1c(=O)[n-]c(=O)n2CC(C)C	ZINC000499050207	561542081	/nfs/dbraw/zinc/54/20/81/561542081.db2.gz	XJVRAEUAQMALAJ-UHFFFAOYSA-N	-1	3	370.453	2.420	20	30		FEEDHM
CCOCCOCc1cccc(C[N-]S(=O)(=O)c2ccc(C#N)o2)c1	ZINC000286795063	551926669	/nfs/dbraw/zinc/92/66/69/551926669.db2.gz	YHFVJYXAUUZLNL-UHFFFAOYSA-N	-1	3	364.423	2.183	20	30		FEEDHM
COCCCCC[N-]S(=O)(=O)c1cccc(Br)c1C#N	ZINC000287112733	551965008	/nfs/dbraw/zinc/96/50/08/551965008.db2.gz	ZPEIZFMRMVTILQ-UHFFFAOYSA-N	-1	3	361.261	2.416	20	30		FEEDHM
C=CCCCCCCNC(=O)N1CCC[C@H]1C[C@]1(C)NC(=O)[N-]C1=O	ZINC000288089358	552088852	/nfs/dbraw/zinc/08/88/52/552088852.db2.gz	STOBHUCCPSFINK-KSSFIOAISA-N	-1	3	350.463	2.285	20	30		FEEDHM
C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)o1	ZINC000288191059	552107284	/nfs/dbraw/zinc/10/72/84/552107284.db2.gz	PRFFMWYTULJOCR-YOEHRIQHSA-N	-1	3	359.451	2.340	20	30		FEEDHM
CC1(C)C[C@]1(C#N)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1	ZINC000291006477	552575356	/nfs/dbraw/zinc/57/53/56/552575356.db2.gz	VTNHIOFHRHQCHX-GFCCVEGCSA-N	-1	3	374.216	2.328	20	30		FEEDHM
C=C[C@](C)(CCOC)C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1	ZINC000291486047	552629571	/nfs/dbraw/zinc/62/95/71/552629571.db2.gz	SGBDSWVJZWWVLC-SWLSCSKDSA-N	-1	3	350.381	2.132	20	30		FEEDHM
Cc1nnsc1C[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1	ZINC000292127991	552696705	/nfs/dbraw/zinc/69/67/05/552696705.db2.gz	XMJWGGGIHMDLJS-UHFFFAOYSA-N	-1	3	362.358	2.216	20	30		FEEDHM
N#CC1(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)CCC1	ZINC000501907748	561607880	/nfs/dbraw/zinc/60/78/80/561607880.db2.gz	RDJFFSSAWRAISH-UHFFFAOYSA-N	-1	3	362.386	2.131	20	30		FEEDHM
CC(C)C[C@H]([N-]S(=O)(=O)CC(C)(C)CC#N)C(=O)Nc1nccs1	ZINC000295233741	552973487	/nfs/dbraw/zinc/97/34/87/552973487.db2.gz	XFPSRGYUMSOSMX-LBPRGKRZSA-N	-1	3	372.516	2.356	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H](O)Cc1cccc(F)c1	ZINC000295423006	553004534	/nfs/dbraw/zinc/00/45/34/553004534.db2.gz	PRCUNFNPPQIWGJ-MRXNPFEDSA-N	-1	3	371.412	2.067	20	30		FEEDHM
CC[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)[C@H](O)C(F)F	ZINC000295489218	553015390	/nfs/dbraw/zinc/01/53/90/553015390.db2.gz	AWSJYZGEGJGGKJ-KOLCDFICSA-N	-1	3	372.315	2.260	20	30		FEEDHM
CO[C@H](C)c1nc(C[N-]S(=O)(=O)Cc2ccc(F)cc2C#N)cs1	ZINC000296042776	553095015	/nfs/dbraw/zinc/09/50/15/553095015.db2.gz	ARAUCLDZTNBQCK-SNVBAGLBSA-N	-1	3	369.443	2.481	20	30		FEEDHM
CC(C)ON=C([O-])Nc1ccc(S(=O)(=O)N=C2CCCCCN2)cc1	ZINC000296322919	553140717	/nfs/dbraw/zinc/14/07/17/553140717.db2.gz	LUITZSWYEMPSKC-UHFFFAOYSA-N	-1	3	368.459	2.399	20	30		FEEDHM
CC(C)O[N-]C(=O)Nc1ccc(S(=O)(=O)N=C2CCCCCN2)cc1	ZINC000296322919	553140720	/nfs/dbraw/zinc/14/07/20/553140720.db2.gz	LUITZSWYEMPSKC-UHFFFAOYSA-N	-1	3	368.459	2.399	20	30		FEEDHM
N#Cc1cccc([C@@H]2CN(C(=O)c3cc(F)cc4[n-]nnc43)CCO2)c1	ZINC000503519866	561643477	/nfs/dbraw/zinc/64/34/77/561643477.db2.gz	XHCREYNCSOWBFH-INIZCTEOSA-N	-1	3	351.341	2.182	20	30		FEEDHM
N#Cc1cccc([C@@H]2CN(C(=O)c3cc(F)cc4nn[n-]c43)CCO2)c1	ZINC000503519866	561643478	/nfs/dbraw/zinc/64/34/78/561643478.db2.gz	XHCREYNCSOWBFH-INIZCTEOSA-N	-1	3	351.341	2.182	20	30		FEEDHM
N#Cc1cccc([C@@H]2CN(C(=O)c3cc(F)cc4n[n-]nc43)CCO2)c1	ZINC000503519866	561643479	/nfs/dbraw/zinc/64/34/79/561643479.db2.gz	XHCREYNCSOWBFH-INIZCTEOSA-N	-1	3	351.341	2.182	20	30		FEEDHM
C=CCC[C@@H](CO)[N-]S(=O)(=O)c1cc(Br)ccc1OC	ZINC000315701879	553761046	/nfs/dbraw/zinc/76/10/46/553761046.db2.gz	BBASWSWSWPLMRO-NSHDSACASA-N	-1	3	364.261	2.063	20	30		FEEDHM
O=C(Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)[C@H]1CCNC(=O)C1	ZINC000328705213	553810344	/nfs/dbraw/zinc/81/03/44/553810344.db2.gz	YQTOCLPEDSFKSX-VIFPVBQESA-N	-1	3	355.391	2.221	20	30		FEEDHM
O=C(CC[C@H]1CCOC1)Nc1cc(N2CCCS2(=O)=O)ccc1[O-]	ZINC000328882327	553837988	/nfs/dbraw/zinc/83/79/88/553837988.db2.gz	LTPHDYDDSDTKNK-LBPRGKRZSA-N	-1	3	354.428	2.337	20	30		FEEDHM
C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CCN2C(=O)[N-]C(=O)[C@H]2C1	ZINC000328910375	553843250	/nfs/dbraw/zinc/84/32/50/553843250.db2.gz	NJQPDXVNLBRKNT-OWOQWNNFSA-N	-1	3	360.458	2.377	20	30		FEEDHM
C[C@@H]1CC[C@H](C)N1CC(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-]	ZINC000329118247	553883414	/nfs/dbraw/zinc/88/34/14/553883414.db2.gz	OIBFCWRJAXOGLP-TXEJJXNPSA-N	-1	3	367.471	2.294	20	30		FEEDHM
Cn1nccc1[C@H]1[C@H](CNC(=O)c2csc(=NC3CC3)[n-]2)CCCN1C	ZINC000329212416	553903727	/nfs/dbraw/zinc/90/37/27/553903727.db2.gz	ZWFCNGPIHBMYNV-BLLLJJGKSA-N	-1	3	374.514	2.839	20	30		FEEDHM
CC(=O)Nc1ncc(S(=O)(=O)[N-][C@@H]2CCCC23CCOCC3)s1	ZINC000329287457	553918610	/nfs/dbraw/zinc/91/86/10/553918610.db2.gz	PPRIMAMYTXECIV-LLVKDONJSA-N	-1	3	359.473	2.379	20	30		FEEDHM
C[C@]1(C[C@@H]2CCCN2C(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)NC(=O)[N-]C1=O	ZINC000329522308	553961512	/nfs/dbraw/zinc/96/15/12/553961512.db2.gz	GBWJSZHSJVZPRA-KYZVSKTDSA-N	-1	3	364.446	2.355	20	30		FEEDHM
C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)c1	ZINC000330144570	554073356	/nfs/dbraw/zinc/07/33/56/554073356.db2.gz	RSZIOGHANCPPBT-HONMWMINSA-N	-1	3	356.382	2.147	20	30		FEEDHM
C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)c1	ZINC000330144571	554073626	/nfs/dbraw/zinc/07/36/26/554073626.db2.gz	RSZIOGHANCPPBT-LERXQTSPSA-N	-1	3	356.382	2.147	20	30		FEEDHM
C[C@]1(CO)CCC[C@H]1[N-]S(=O)(=O)c1cccc(Br)c1C#N	ZINC000330678182	554156470	/nfs/dbraw/zinc/15/64/70/554156470.db2.gz	WBJGFTXNLMAVTJ-ZIAGYGMSSA-N	-1	3	373.272	2.150	20	30		FEEDHM
C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N=c1[n-]n(C)cc1C#N	ZINC000610563516	554530155	/nfs/dbraw/zinc/53/01/55/554530155.db2.gz	HAPKEEQJPZGUBR-PBHICJAKSA-N	-1	3	352.442	2.324	20	30		FEEDHM
CN(Cc1ccc(C#N)cc1)C(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1	ZINC000510731483	561844850	/nfs/dbraw/zinc/84/48/50/561844850.db2.gz	FROXDGJROBZMCX-UHFFFAOYSA-N	-1	3	361.398	2.341	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]3OCCC[C@@H]23)c(C(F)(F)F)c1	ZINC000364841315	555413266	/nfs/dbraw/zinc/41/32/66/555413266.db2.gz	SIBMOHHCNGDCJC-CYZMBNFOSA-N	-1	3	360.357	2.423	20	30		FEEDHM
C=CCC(C)(C)C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl	ZINC000513213648	561929490	/nfs/dbraw/zinc/92/94/90/561929490.db2.gz	DGKSZMXEIFSSCQ-UHFFFAOYSA-N	-1	3	362.854	2.476	20	30		FEEDHM
C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)C[C@@H](OC)C2CC2)cc1	ZINC000519713490	562141134	/nfs/dbraw/zinc/14/11/34/562141134.db2.gz	NCWAXEZMQQMEOL-OAHLLOKOSA-N	-1	3	353.444	2.161	20	30		FEEDHM
N#Cc1c(Cl)cccc1S(=O)(=O)[N-]Cc1cnc2n1CCCC2	ZINC000375111750	557979441	/nfs/dbraw/zinc/97/94/41/557979441.db2.gz	JHKCXQCOTARSQH-UHFFFAOYSA-N	-1	3	350.831	2.223	20	30		FEEDHM
CC(C)(CCC#N)CNC(=O)N1CC(S(=O)(=O)[N-]c2ccccc2)C1	ZINC000377031383	558253524	/nfs/dbraw/zinc/25/35/24/558253524.db2.gz	NTGYSFQLWGUAQK-UHFFFAOYSA-N	-1	3	364.471	2.152	20	30		FEEDHM
C=CCC1(C(=O)N2CCC[C@@H](c3n[nH]cc3[N-]S(C)(=O)=O)C2)CCC1	ZINC000377267486	558302244	/nfs/dbraw/zinc/30/22/44/558302244.db2.gz	PVNUAZXVJXUHNX-CYBMUJFWSA-N	-1	3	366.487	2.234	20	30		FEEDHM
C=CCC1(C(=O)N2CCC[C@@H](c3[nH]ncc3[N-]S(C)(=O)=O)C2)CCC1	ZINC000377267486	558302245	/nfs/dbraw/zinc/30/22/45/558302245.db2.gz	PVNUAZXVJXUHNX-CYBMUJFWSA-N	-1	3	366.487	2.234	20	30		FEEDHM
CC[C@H]1CN(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C[C@@]2(CCOC2)O1	ZINC000377273264	558303477	/nfs/dbraw/zinc/30/34/77/558303477.db2.gz	LWIINJOOJNJXJR-MGPUTAFESA-N	-1	3	373.453	2.005	20	30		FEEDHM
C[C@H]1CN(Cc2ccccc2)C[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)s1	ZINC000389986169	558610389	/nfs/dbraw/zinc/61/03/89/558610389.db2.gz	MEQAXSWMDHQVNI-BBRMVZONSA-N	-1	3	361.492	2.419	20	30		FEEDHM
O=C([N-][C@H](c1c(F)cccc1F)C(F)(F)F)C(=O)NC(CF)CF	ZINC000411571765	558919920	/nfs/dbraw/zinc/91/99/20/558919920.db2.gz	QOIXYVSUVUKOOE-SNVBAGLBSA-N	-1	3	360.229	2.108	20	30		FEEDHM
C=CCN1CC[C@H](N(C)C(=O)c2c[n-]c3c(Cl)cccc3c2=O)C1=O	ZINC000412320050	559027381	/nfs/dbraw/zinc/02/73/81/559027381.db2.gz	VHEAJZRUQCKHFO-AWEZNQCLSA-N	-1	3	359.813	2.040	20	30		FEEDHM
C=CCN1CC[C@H](N(C)C(=O)c2cnc3c(Cl)cccc3c2[O-])C1=O	ZINC000412320050	559027382	/nfs/dbraw/zinc/02/73/82/559027382.db2.gz	VHEAJZRUQCKHFO-AWEZNQCLSA-N	-1	3	359.813	2.040	20	30		FEEDHM
CC[C@@H](O)CCC[N-]S(=O)(=O)c1cc(Br)ccc1C#N	ZINC000416406947	559310599	/nfs/dbraw/zinc/31/05/99/559310599.db2.gz	HJMQBVISBDCEOM-GFCCVEGCSA-N	-1	3	361.261	2.150	20	30		FEEDHM
CO[C@H]1c2ccccc2C[C@H]1[N-]S(=O)(=O)Cc1ccc(C#N)cc1F	ZINC000416575562	559322823	/nfs/dbraw/zinc/32/28/23/559322823.db2.gz	CBQAEUFRIYWIAO-MSOLQXFVSA-N	-1	3	360.410	2.429	20	30		FEEDHM
COC(=O)[C@@H](CNC(=O)c1cccc(CC#N)c1)Cc1ccc([O-])c(F)c1	ZINC000422033284	559561812	/nfs/dbraw/zinc/56/18/12/559561812.db2.gz	BTZWRCNMBNAZMD-MRXNPFEDSA-N	-1	3	370.380	2.359	20	30		FEEDHM
N#CCCC[C@@H](N)C(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1	ZINC000424183257	559656844	/nfs/dbraw/zinc/65/68/44/559656844.db2.gz	BCYXIKVGICYIHG-MRXNPFEDSA-N	-1	3	358.442	2.414	20	30		FEEDHM
COC(=O)c1cnc([C@H](C)[N-]S(=O)(=O)c2cccc(C)c2C#N)s1	ZINC000425198966	559690801	/nfs/dbraw/zinc/69/08/01/559690801.db2.gz	FAVUESMAETWUPL-JTQLQIEISA-N	-1	3	365.436	2.149	20	30		FEEDHM
CS(=O)(=O)[N-]c1cc(NC(=O)CNc2cccc(C#N)c2)ccc1F	ZINC000425953117	559725908	/nfs/dbraw/zinc/72/59/08/559725908.db2.gz	REWFVIMWCHPMOK-UHFFFAOYSA-N	-1	3	362.386	2.119	20	30		FEEDHM
COc1ccc(C[N-]S(=O)(=O)c2cccnc2C#N)cc1OC(F)F	ZINC000428229634	559771868	/nfs/dbraw/zinc/77/18/68/559771868.db2.gz	PERHHZYJXDZUML-UHFFFAOYSA-N	-1	3	369.349	2.042	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-]Cc1cc(F)cc(Br)c1	ZINC000428237648	559772063	/nfs/dbraw/zinc/77/20/63/559772063.db2.gz	BKNXMDJOWFZREV-UHFFFAOYSA-N	-1	3	370.203	2.333	20	30		FEEDHM
CC(C)[C@H]([N-]S(=O)(=O)c1cccnc1C#N)c1ccc2c(c1)OCCO2	ZINC000428261573	559772455	/nfs/dbraw/zinc/77/24/55/559772455.db2.gz	QCBSPAGCIVECER-SFHVURJKSA-N	-1	3	373.434	2.400	20	30		FEEDHM
COc1ccc2c(c1)CCC[C@@H]2C[N-]S(=O)(=O)c1cccnc1C#N	ZINC000428387488	559774510	/nfs/dbraw/zinc/77/45/10/559774510.db2.gz	GLHLEMZTJQGZCI-CQSZACIVSA-N	-1	3	357.435	2.360	20	30		FEEDHM
CO[C@@H](C[N-]S(=O)(=O)c1cccnc1C#N)c1cccc(Cl)c1	ZINC000428409590	559775122	/nfs/dbraw/zinc/77/51/22/559775122.db2.gz	NFXRFSCXLUMNSE-AWEZNQCLSA-N	-1	3	351.815	2.273	20	30		FEEDHM
CCOC(=O)c1nc(C2CCN(Cc3cccc(F)c3C#N)CC2)n[n-]1	ZINC000428949602	559786507	/nfs/dbraw/zinc/78/65/07/559786507.db2.gz	YCLXNNFKIPECJS-UHFFFAOYSA-N	-1	3	357.389	2.372	20	30		FEEDHM
CCOC(=O)c1nnc(C2CCN(Cc3cccc(F)c3C#N)CC2)[n-]1	ZINC000428949602	559786508	/nfs/dbraw/zinc/78/65/08/559786508.db2.gz	YCLXNNFKIPECJS-UHFFFAOYSA-N	-1	3	357.389	2.372	20	30		FEEDHM
CCOC(=O)c1n[n-]c(C2CCN(Cc3cccc(F)c3C#N)CC2)n1	ZINC000428949602	559786509	/nfs/dbraw/zinc/78/65/09/559786509.db2.gz	YCLXNNFKIPECJS-UHFFFAOYSA-N	-1	3	357.389	2.372	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]CCc2ccn(-c3ccccc3)n2)s1	ZINC000435439846	559923264	/nfs/dbraw/zinc/92/32/64/559923264.db2.gz	XJEQEVDGPUWTIF-UHFFFAOYSA-N	-1	3	358.448	2.326	20	30		FEEDHM
COc1ccc(OCCC[N-]S(=O)(=O)c2ccc(C#N)s2)cc1	ZINC000435442400	559923298	/nfs/dbraw/zinc/92/32/98/559923298.db2.gz	IGDHGQWCGHOJRJ-UHFFFAOYSA-N	-1	3	352.437	2.376	20	30		FEEDHM
COc1ccccc1O[C@@H](C)C[N-]S(=O)(=O)c1ccc(C#N)s1	ZINC000435445040	559923340	/nfs/dbraw/zinc/92/33/40/559923340.db2.gz	CDGIEHSGZRYXOK-NSHDSACASA-N	-1	3	352.437	2.374	20	30		FEEDHM
N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccccc2[O-])cc1	ZINC000436542316	559944826	/nfs/dbraw/zinc/94/48/26/559944826.db2.gz	FSAVPPYDQLMACU-HNNXBMFYSA-N	-1	3	353.403	2.418	20	30		FEEDHM
COc1cc([C@H](C#N)NC(=O)c2ccc(O)cc2[O-])cc(OC)c1OC	ZINC000436602139	559946345	/nfs/dbraw/zinc/94/63/45/559946345.db2.gz	DMRLQUBWGPODMZ-ZDUSSCGKSA-N	-1	3	358.350	2.118	20	30		FEEDHM
COc1ccc(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c([O-])c1	ZINC000436916907	559956484	/nfs/dbraw/zinc/95/64/84/559956484.db2.gz	BLMLZRCFCVDWGQ-KRWDZBQOSA-N	-1	3	365.389	2.198	20	30		FEEDHM
CCN(C[C@H](C)C#N)C(=O)C(=O)[N-]c1scc(C2CC2)c1C(=O)OC	ZINC000437412569	559964421	/nfs/dbraw/zinc/96/44/21/559964421.db2.gz	QJZUQMNRTHMWTR-SNVBAGLBSA-N	-1	3	363.439	2.359	20	30		FEEDHM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]CCc1cccc(F)c1F	ZINC000443092410	560070341	/nfs/dbraw/zinc/07/03/41/560070341.db2.gz	ZMDVHEGGKAGJPH-UHFFFAOYSA-N	-1	3	367.333	2.266	20	30		FEEDHM
N#Cc1cc(F)ccc1S(=O)(=O)[N-]CCCN1CCc2ccccc21	ZINC000443104846	560070730	/nfs/dbraw/zinc/07/07/30/560070730.db2.gz	OLBXNABZVOMROB-UHFFFAOYSA-N	-1	3	359.426	2.428	20	30		FEEDHM
C=CCN(CC=C)[C@@H](C[N-]S(=O)(=O)c1cn2c(n1)CCCC2)C(C)C	ZINC000444109816	560102011	/nfs/dbraw/zinc/10/20/11/560102011.db2.gz	HOEBZRWLGRFUNB-INIZCTEOSA-N	-1	3	366.531	2.196	20	30		FEEDHM
CC1(C)CCC[C@@](O)(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1	ZINC000445757169	560134745	/nfs/dbraw/zinc/13/47/45/560134745.db2.gz	MNJRSILUSYPNAS-INIZCTEOSA-N	-1	3	367.427	2.076	20	30		FEEDHM
N#Cc1cccc(-c2cc(C(=O)[N-]c3cncnc3-n3cccn3)on2)c1	ZINC000448187787	560180133	/nfs/dbraw/zinc/18/01/33/560180133.db2.gz	FQHAWWBWZFFWOD-UHFFFAOYSA-N	-1	3	357.333	2.441	20	30		FEEDHM
CCOC(=O)c1cc(C(=O)[N-]c2cc(C#N)ccc2OCCOC)on1	ZINC000450830995	560275021	/nfs/dbraw/zinc/27/50/21/560275021.db2.gz	OYLGCCMGKIOTQL-UHFFFAOYSA-N	-1	3	359.338	2.000	20	30		FEEDHM
CO[C@@H](C[N-]S(=O)(=O)Cc1cc(C#N)ccc1F)Cc1ccccc1	ZINC000451662608	560320350	/nfs/dbraw/zinc/32/03/50/560320350.db2.gz	KZUUWFOJSBCUCA-QGZVFWFLSA-N	-1	3	362.426	2.374	20	30		FEEDHM
C=CCC[C@H]([N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)C(=O)OCC	ZINC000452003577	560344708	/nfs/dbraw/zinc/34/47/08/560344708.db2.gz	ZVPRDKDNFIOXMQ-LBPRGKRZSA-N	-1	3	351.346	2.280	20	30		FEEDHM
C=CCC[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])C(=O)OCC	ZINC000456610258	560525714	/nfs/dbraw/zinc/52/57/14/560525714.db2.gz	PLFYZORXIZPWLI-HZPDHXFCSA-N	-1	3	374.437	2.011	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCCC(=O)OC(C)(C)C	ZINC000465274819	560861924	/nfs/dbraw/zinc/86/19/24/560861924.db2.gz	HGZHOGKFSCHZPF-UHFFFAOYSA-N	-1	3	361.442	2.446	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(CC(F)(F)F)[C@H]1CCOC1	ZINC000468987122	560944077	/nfs/dbraw/zinc/94/40/77/560944077.db2.gz	MJUWIXSPJGADJU-LBPRGKRZSA-N	-1	3	371.359	2.388	20	30		FEEDHM
Cc1nc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)sc1SCC#N	ZINC000472915039	561037764	/nfs/dbraw/zinc/03/77/64/561037764.db2.gz	QSNYAPYYYRKSTM-UHFFFAOYSA-N	-1	3	351.369	2.328	20	30		FEEDHM
COC(=O)[C@H](C[N-]S(=O)(=O)CC1(C#N)CCCCC1)c1ccccc1	ZINC000476320963	561116489	/nfs/dbraw/zinc/11/64/89/561116489.db2.gz	NTHPTWHAGYDQRX-MRXNPFEDSA-N	-1	3	364.467	2.337	20	30		FEEDHM
N#Cc1cccc(OCCCCC(=O)N2CCc3nc[n-]c(=O)c3C2)c1	ZINC000476991600	561133809	/nfs/dbraw/zinc/13/38/09/561133809.db2.gz	YUMHXACWJCFGKA-UHFFFAOYSA-N	-1	3	352.394	2.188	20	30		FEEDHM
C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[N-]S(=O)(=O)c1cc(Br)ccc1C#N	ZINC000528544725	562335162	/nfs/dbraw/zinc/33/51/62/562335162.db2.gz	UCTWOSUNJJSYKR-PUXPGTEJSA-N	-1	3	373.272	2.411	20	30		FEEDHM
Cc1cc(C(=O)NC2CCC(Oc3ccccc3C#N)CC2)[n-]c(=O)n1	ZINC000532154199	562468921	/nfs/dbraw/zinc/46/89/21/562468921.db2.gz	NERWLQUYMGDGCB-UHFFFAOYSA-N	-1	3	352.394	2.482	20	30		FEEDHM
COC(=O)c1sc2[n-]c(CN(C[C@@H](C)C#N)C3CC3)nc(=O)c2c1C	ZINC000532818871	562489848	/nfs/dbraw/zinc/48/98/48/562489848.db2.gz	UXWPXBUHBOVNGI-VIFPVBQESA-N	-1	3	360.439	2.204	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c(F)c1	ZINC000532857452	562490828	/nfs/dbraw/zinc/49/08/28/562490828.db2.gz	JWRJVQZCXJBZKP-DAXOMENPSA-N	-1	3	350.415	2.323	20	30		FEEDHM
C[C@@]1(c2ccc(NC(=O)C3(c4cccc(C#N)c4)CC3)cc2)NC(=O)[N-]C1=O	ZINC000533403730	562507605	/nfs/dbraw/zinc/50/76/05/562507605.db2.gz	VPUYBSGCIWCQNK-FQEVSTJZSA-N	-1	3	374.400	2.283	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H]([C@H]2CCOC2)C1	ZINC000533502897	562511110	/nfs/dbraw/zinc/51/11/10/562511110.db2.gz	LVUVBOXPURPTFX-HOTGVXAUSA-N	-1	3	357.454	2.483	20	30		FEEDHM
CN1CC[C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2F)[C@H]1c1ccccc1	ZINC000534638902	562538812	/nfs/dbraw/zinc/53/88/12/562538812.db2.gz	NLWQXAPURDPBLW-FUHWJXTLSA-N	-1	3	359.426	2.421	20	30		FEEDHM
COCC1(CC[N-]S(=O)(=O)c2cc(Br)ccc2C#N)CC1	ZINC000568756396	568181648	/nfs/dbraw/zinc/18/16/48/568181648.db2.gz	GYTMOKJNHGYVIW-UHFFFAOYSA-N	-1	3	373.272	2.416	20	30		FEEDHM
FC(F)(F)c1cccc(N=NCc2cnc3ccc(-c4nn[n-]n4)cn23)n1	ZINC000737636442	598825543	/nfs/dbraw/zinc/82/55/43/598825543.db2.gz	SBWHINDJXJJWIH-UHFFFAOYSA-N	-1	3	373.302	2.374	20	30		FEEDHM
N#C[C@H](NC(=O)COc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1	ZINC000737675108	598826194	/nfs/dbraw/zinc/82/61/94/598826194.db2.gz	MUADAIVYZIBRFX-HNNXBMFYSA-N	-1	3	368.784	2.280	20	30		FEEDHM
N#C[C@H](NC(=O)COc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)cc1	ZINC000737675108	598826195	/nfs/dbraw/zinc/82/61/95/598826195.db2.gz	MUADAIVYZIBRFX-HNNXBMFYSA-N	-1	3	368.784	2.280	20	30		FEEDHM
N#CCSCC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1	ZINC000737697666	598836171	/nfs/dbraw/zinc/83/61/71/598836171.db2.gz	LDPZODUZSDYQHY-UHFFFAOYSA-N	-1	3	370.463	2.468	20	30		FEEDHM
C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H](C#N)c1ccc(F)cc1	ZINC000736169183	598850077	/nfs/dbraw/zinc/85/00/77/598850077.db2.gz	KKEABHDEMSUQDJ-BDJLRTHQSA-N	-1	3	366.356	2.154	20	30		FEEDHM
C=CCCCCCN(C)C(=O)NCCNc1ccc(-c2nnn[n-]2)cn1	ZINC000735408198	598888690	/nfs/dbraw/zinc/88/86/90/598888690.db2.gz	HILOYWYDDYMFEO-UHFFFAOYSA-N	-1	3	358.450	2.061	20	30		FEEDHM
C=CCCCCCN(C)C(=O)NCCNc1ccc(-c2nn[n-]n2)cn1	ZINC000735408198	598888692	/nfs/dbraw/zinc/88/86/92/598888692.db2.gz	HILOYWYDDYMFEO-UHFFFAOYSA-N	-1	3	358.450	2.061	20	30		FEEDHM
C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)Cc1ccc(C#N)cc1	ZINC000736037643	598889325	/nfs/dbraw/zinc/88/93/25/598889325.db2.gz	MYAJDVCYRMDFPF-CYBMUJFWSA-N	-1	3	363.377	2.292	20	30		FEEDHM
C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)Cc1ccc(C#N)cc1	ZINC000736037643	598889326	/nfs/dbraw/zinc/88/93/26/598889326.db2.gz	MYAJDVCYRMDFPF-CYBMUJFWSA-N	-1	3	363.377	2.292	20	30		FEEDHM
N#Cc1cc(NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)ccc1-c1nnn[n-]1	ZINC000737706207	598913950	/nfs/dbraw/zinc/91/39/50/598913950.db2.gz	WNBGDHYZOSFFAG-FPYGCLRLSA-N	-1	3	361.321	2.298	20	30		FEEDHM
N#Cc1cc(NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)ccc1-c1nn[n-]n1	ZINC000737706207	598913952	/nfs/dbraw/zinc/91/39/52/598913952.db2.gz	WNBGDHYZOSFFAG-FPYGCLRLSA-N	-1	3	361.321	2.298	20	30		FEEDHM
N#Cc1cc(NC(=O)c2cccc(N3CCCC3=O)c2)ccc1-c1nnn[n-]1	ZINC000737709465	598917144	/nfs/dbraw/zinc/91/71/44/598917144.db2.gz	OLEATXYQQLQTDS-UHFFFAOYSA-N	-1	3	373.376	2.117	20	30		FEEDHM
N#Cc1cc(NC(=O)c2cccc(N3CCCC3=O)c2)ccc1-c1nn[n-]n1	ZINC000737709465	598917145	/nfs/dbraw/zinc/91/71/45/598917145.db2.gz	OLEATXYQQLQTDS-UHFFFAOYSA-N	-1	3	373.376	2.117	20	30		FEEDHM
COc1ccc(CCC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1F	ZINC000737089650	598918446	/nfs/dbraw/zinc/91/84/46/598918446.db2.gz	ZVMLGCQZOMXAIC-UHFFFAOYSA-N	-1	3	366.356	2.457	20	30		FEEDHM
COc1ccc(CCC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1F	ZINC000737089650	598918448	/nfs/dbraw/zinc/91/84/48/598918448.db2.gz	ZVMLGCQZOMXAIC-UHFFFAOYSA-N	-1	3	366.356	2.457	20	30		FEEDHM
N#Cc1ccc(NC(=O)COc2ccccc2Cl)cc1-c1nnn[n-]1	ZINC000737715993	598920194	/nfs/dbraw/zinc/92/01/94/598920194.db2.gz	JKEXNRXKPZJXGU-UHFFFAOYSA-N	-1	3	354.757	2.409	20	30		FEEDHM
N#Cc1ccc(NC(=O)COc2ccccc2Cl)cc1-c1nn[n-]n1	ZINC000737715993	598920196	/nfs/dbraw/zinc/92/01/96/598920196.db2.gz	JKEXNRXKPZJXGU-UHFFFAOYSA-N	-1	3	354.757	2.409	20	30		FEEDHM
Cc1nn(C)c2sc(C(=O)Nc3ccc(-c4nn[n-]n4)c(C#N)c3)cc12	ZINC000737512259	598922991	/nfs/dbraw/zinc/92/29/91/598922991.db2.gz	WAYLTSIGRZBBMM-UHFFFAOYSA-N	-1	3	364.394	2.247	20	30		FEEDHM
COc1cc(C#N)ccc1OCCOc1ccc(-c2nnn[n-]2)c(F)c1	ZINC000737034810	598939845	/nfs/dbraw/zinc/93/98/45/598939845.db2.gz	LOIMWBGGITVUTQ-UHFFFAOYSA-N	-1	3	355.329	2.344	20	30		FEEDHM
COc1cc(C#N)ccc1OCCOc1ccc(-c2nn[n-]n2)c(F)c1	ZINC000737034810	598939847	/nfs/dbraw/zinc/93/98/47/598939847.db2.gz	LOIMWBGGITVUTQ-UHFFFAOYSA-N	-1	3	355.329	2.344	20	30		FEEDHM
CCCN1c2ccccc2C(=NNCc2ccc(-c3nnn[n-]3)cc2)C1=O	ZINC000821109178	607254573	/nfs/dbraw/zinc/25/45/73/607254573.db2.gz	BBMQTMYOPZGBEB-UHFFFAOYSA-N	-1	3	361.409	2.117	20	30		FEEDHM
CCCN1c2ccccc2C(=NNCc2ccc(-c3nn[n-]n3)cc2)C1=O	ZINC000821109178	607254574	/nfs/dbraw/zinc/25/45/74/607254574.db2.gz	BBMQTMYOPZGBEB-UHFFFAOYSA-N	-1	3	361.409	2.117	20	30		FEEDHM
CNC(=O)c1ccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)cc1	ZINC000821635159	599113739	/nfs/dbraw/zinc/11/37/39/599113739.db2.gz	ORNPTXRCECWWCN-GDNBJRDFSA-N	-1	3	359.389	2.439	20	30		FEEDHM
CNC(=O)c1ccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)cc1	ZINC000821635159	599113742	/nfs/dbraw/zinc/11/37/42/599113742.db2.gz	ORNPTXRCECWWCN-GDNBJRDFSA-N	-1	3	359.389	2.439	20	30		FEEDHM
C=CCOCCCC(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1	ZINC000819750687	599152452	/nfs/dbraw/zinc/15/24/52/599152452.db2.gz	JPBWHQMSTMZZFC-UHFFFAOYSA-N	-1	3	371.441	2.219	20	30		FEEDHM
C=CCOCCCC(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1	ZINC000819750687	599152453	/nfs/dbraw/zinc/15/24/53/599152453.db2.gz	JPBWHQMSTMZZFC-UHFFFAOYSA-N	-1	3	371.441	2.219	20	30		FEEDHM
N#Cc1cccc(-c2nnc(CSc3cc(-c4nnn[n-]4)ccn3)o2)c1	ZINC000737721754	599165069	/nfs/dbraw/zinc/16/50/69/599165069.db2.gz	CGMYZXJLLHKSEQ-UHFFFAOYSA-N	-1	3	362.378	2.476	20	30		FEEDHM
N#Cc1cccc(-c2nnc(CSc3cc(-c4nn[n-]n4)ccn3)o2)c1	ZINC000737721754	599165071	/nfs/dbraw/zinc/16/50/71/599165071.db2.gz	CGMYZXJLLHKSEQ-UHFFFAOYSA-N	-1	3	362.378	2.476	20	30		FEEDHM
N#Cc1ccc(NC(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)cc1-c1nnn[n-]1	ZINC000737715834	599199050	/nfs/dbraw/zinc/19/90/50/599199050.db2.gz	FNTPMKRZXOBBTB-QYJAPNMZSA-N	-1	3	350.382	2.072	20	30		FEEDHM
N#Cc1ccc(NC(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)cc1-c1nn[n-]n1	ZINC000737715834	599199052	/nfs/dbraw/zinc/19/90/52/599199052.db2.gz	FNTPMKRZXOBBTB-QYJAPNMZSA-N	-1	3	350.382	2.072	20	30		FEEDHM
C=CCOc1ccc(OC(=O)COc2cccc(-c3nnn[n-]3)c2)cc1	ZINC000819758663	599203675	/nfs/dbraw/zinc/20/36/75/599203675.db2.gz	DQGXVHCWDWCVDF-UHFFFAOYSA-N	-1	3	352.350	2.416	20	30		FEEDHM
C=CCOc1ccc(OC(=O)COc2cccc(-c3nn[n-]n3)c2)cc1	ZINC000819758663	599203677	/nfs/dbraw/zinc/20/36/77/599203677.db2.gz	DQGXVHCWDWCVDF-UHFFFAOYSA-N	-1	3	352.350	2.416	20	30		FEEDHM
N#CC(=C([O-])c1ccc(-c2nn[nH]n2)[nH]1)c1nc2cc(F)ccc2s1	ZINC000826379630	607777963	/nfs/dbraw/zinc/77/79/63/607777963.db2.gz	XJDQEEQEFRSKQA-MRVPVSSYSA-N	-1	3	353.342	2.434	20	30		FEEDHM
C#CCOc1cccc(NC(=O)c2ncc(-c3nnn[n-]3)cc2Cl)c1	ZINC000819710092	607300279	/nfs/dbraw/zinc/30/02/79/607300279.db2.gz	WCUHCCTWGJLNSW-UHFFFAOYSA-N	-1	3	354.757	2.179	20	30		FEEDHM
C#CCOc1cccc(NC(=O)c2ncc(-c3nn[n-]n3)cc2Cl)c1	ZINC000819710092	607300280	/nfs/dbraw/zinc/30/02/80/607300280.db2.gz	WCUHCCTWGJLNSW-UHFFFAOYSA-N	-1	3	354.757	2.179	20	30		FEEDHM
C[C@H](NC(=O)NCc1cc(C#N)ccc1F)c1ccc(-c2nnn[n-]2)cc1	ZINC000820367883	599262800	/nfs/dbraw/zinc/26/28/00/599262800.db2.gz	UXRVHUGVTSRQBB-NSHDSACASA-N	-1	3	365.372	2.438	20	30		FEEDHM
C[C@H](NC(=O)NCc1cc(C#N)ccc1F)c1ccc(-c2nn[n-]n2)cc1	ZINC000820367883	599262802	/nfs/dbraw/zinc/26/28/02/599262802.db2.gz	UXRVHUGVTSRQBB-NSHDSACASA-N	-1	3	365.372	2.438	20	30		FEEDHM
Cc1ccc(C#N)cc1NC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1	ZINC000822225294	599273770	/nfs/dbraw/zinc/27/37/70/599273770.db2.gz	XBTRXJPQHPDCHS-UHFFFAOYSA-N	-1	3	363.381	2.247	20	30		FEEDHM
C#CCOc1cc(F)ccc1NC(=O)NCc1cccc(-c2nnn[n-]2)c1	ZINC000819702452	599283019	/nfs/dbraw/zinc/28/30/19/599283019.db2.gz	ZKIKPXQITRMNKY-UHFFFAOYSA-N	-1	3	366.356	2.340	20	30		FEEDHM
C#CCOc1cc(F)ccc1NC(=O)NCc1cccc(-c2nn[n-]n2)c1	ZINC000819702452	599283023	/nfs/dbraw/zinc/28/30/23/599283023.db2.gz	ZKIKPXQITRMNKY-UHFFFAOYSA-N	-1	3	366.356	2.340	20	30		FEEDHM
CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC(C#N)CC1	ZINC000735906282	598263356	/nfs/dbraw/zinc/26/33/56/598263356.db2.gz	QRPKHWULAITDQB-UHFFFAOYSA-N	-1	3	355.402	2.421	20	30		FEEDHM
CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC(C#N)CC1	ZINC000735906282	598263357	/nfs/dbraw/zinc/26/33/57/598263357.db2.gz	QRPKHWULAITDQB-UHFFFAOYSA-N	-1	3	355.402	2.421	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H](C)c1nc(C)no1	ZINC000735420131	598302937	/nfs/dbraw/zinc/30/29/37/598302937.db2.gz	MQSPUYFXGJJWTJ-LLVKDONJSA-N	-1	3	368.401	2.017	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H](C)c1nc(C)no1	ZINC000735420131	598302938	/nfs/dbraw/zinc/30/29/38/598302938.db2.gz	MQSPUYFXGJJWTJ-LLVKDONJSA-N	-1	3	368.401	2.017	20	30		FEEDHM
C#CCOc1cccc(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c1	ZINC000735381228	598513979	/nfs/dbraw/zinc/51/39/79/598513979.db2.gz	RNRAUGZLXKSPAC-UHFFFAOYSA-N	-1	3	366.356	2.340	20	30		FEEDHM
C#CCOc1cccc(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c1	ZINC000735381228	598513981	/nfs/dbraw/zinc/51/39/81/598513981.db2.gz	RNRAUGZLXKSPAC-UHFFFAOYSA-N	-1	3	366.356	2.340	20	30		FEEDHM
Cc1cnn(CCCCCSc2nc(N)c(C#N)cc2-c2nnn[n-]2)c1	ZINC000737447907	598641523	/nfs/dbraw/zinc/64/15/23/598641523.db2.gz	GWPCQCZAEDVGRZ-UHFFFAOYSA-N	-1	3	369.458	2.183	20	30		FEEDHM
Cc1cnn(CCCCCSc2nc(N)c(C#N)cc2-c2nn[n-]n2)c1	ZINC000737447907	598641525	/nfs/dbraw/zinc/64/15/25/598641525.db2.gz	GWPCQCZAEDVGRZ-UHFFFAOYSA-N	-1	3	369.458	2.183	20	30		FEEDHM
N#CCN(CC#N)C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1	ZINC000737692799	598669032	/nfs/dbraw/zinc/66/90/32/598669032.db2.gz	JOIBEYIZHFYRAW-UHFFFAOYSA-N	-1	3	359.349	2.148	20	30		FEEDHM
N#CCN(CC#N)C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1	ZINC000737692799	598669033	/nfs/dbraw/zinc/66/90/33/598669033.db2.gz	JOIBEYIZHFYRAW-UHFFFAOYSA-N	-1	3	359.349	2.148	20	30		FEEDHM
CC[C@](C)(C#N)NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1	ZINC000736312673	598686258	/nfs/dbraw/zinc/68/62/58/598686258.db2.gz	JJHYHPZFYNZHNX-GOSISDBHSA-N	-1	3	363.381	2.476	20	30		FEEDHM
CC[C@](C)(C#N)NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1	ZINC000736312673	598686260	/nfs/dbraw/zinc/68/62/60/598686260.db2.gz	JJHYHPZFYNZHNX-GOSISDBHSA-N	-1	3	363.381	2.476	20	30		FEEDHM
C[C@H](Oc1ccccc1C#N)C(=O)OCc1ccc(F)cc1-c1nnn[n-]1	ZINC000736190671	598705978	/nfs/dbraw/zinc/70/59/78/598705978.db2.gz	XECAXIHQWBRIIC-NSHDSACASA-N	-1	3	367.340	2.388	20	30		FEEDHM
C[C@H](Oc1ccccc1C#N)C(=O)OCc1ccc(F)cc1-c1nn[n-]n1	ZINC000736190671	598705980	/nfs/dbraw/zinc/70/59/80/598705980.db2.gz	XECAXIHQWBRIIC-NSHDSACASA-N	-1	3	367.340	2.388	20	30		FEEDHM
C#Cc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)nc1	ZINC000735390321	598736795	/nfs/dbraw/zinc/73/67/95/598736795.db2.gz	XKJNHIVIHBGJCO-UHFFFAOYSA-N	-1	3	356.292	2.097	20	30		FEEDHM
C#Cc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)nc1	ZINC000735390321	598736796	/nfs/dbraw/zinc/73/67/96/598736796.db2.gz	XKJNHIVIHBGJCO-UHFFFAOYSA-N	-1	3	356.292	2.097	20	30		FEEDHM
Cc1cc(C#N)cc(C)c1OS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F	ZINC000822159806	599363346	/nfs/dbraw/zinc/36/33/46/599363346.db2.gz	DLVZPEBHTTZELA-UHFFFAOYSA-N	-1	3	373.369	2.262	20	30		FEEDHM
Cc1cc(C#N)cc(C)c1OS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F	ZINC000822159806	599363348	/nfs/dbraw/zinc/36/33/48/599363348.db2.gz	DLVZPEBHTTZELA-UHFFFAOYSA-N	-1	3	373.369	2.262	20	30		FEEDHM
C=C(Br)CNC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1	ZINC000819718494	599424525	/nfs/dbraw/zinc/42/45/25/599424525.db2.gz	JWKJFBMYLPIVDF-VIFPVBQESA-N	-1	3	351.208	2.136	20	30		FEEDHM
C=C(Br)CNC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1	ZINC000819718494	599424526	/nfs/dbraw/zinc/42/45/26/599424526.db2.gz	JWKJFBMYLPIVDF-VIFPVBQESA-N	-1	3	351.208	2.136	20	30		FEEDHM
O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1ccc2c(c1)NC(=O)CO2	ZINC000823542980	607458706	/nfs/dbraw/zinc/45/87/06/607458706.db2.gz	ZYCGEMRRKNFSMG-HWKANZROSA-N	-1	3	365.324	2.233	20	30		FEEDHM
O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1ccc2c(c1)NC(=O)CO2	ZINC000823542980	607458708	/nfs/dbraw/zinc/45/87/08/607458708.db2.gz	ZYCGEMRRKNFSMG-HWKANZROSA-N	-1	3	365.324	2.233	20	30		FEEDHM
N#Cc1ccc([C@@H](C(=O)[O-])N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1	ZINC000833072187	601013597	/nfs/dbraw/zinc/01/35/97/601013597.db2.gz	PRIZVEKBWSGNPZ-PBHICJAKSA-N	-1	3	367.365	2.174	20	30		FEEDHM
C=CCN(Cc1cccc([N+](=O)[O-])c1)Cc1ccnc(-c2nnn[n-]2)c1	ZINC000823919715	607490075	/nfs/dbraw/zinc/49/00/75/607490075.db2.gz	OGBGHIBEHBSNQG-UHFFFAOYSA-N	-1	3	351.370	2.358	20	30		FEEDHM
C=CCN(Cc1cccc([N+](=O)[O-])c1)Cc1ccnc(-c2nn[n-]n2)c1	ZINC000823919715	607490076	/nfs/dbraw/zinc/49/00/76/607490076.db2.gz	OGBGHIBEHBSNQG-UHFFFAOYSA-N	-1	3	351.370	2.358	20	30		FEEDHM
C=CCN1CCC(NC(=O)N[C@H](CNC(=O)[O-])C2CCCCC2)CC1	ZINC000738490946	602629029	/nfs/dbraw/zinc/62/90/29/602629029.db2.gz	CWJUHHAVZWAACS-MRXNPFEDSA-N	-1	3	352.479	2.153	20	30		FEEDHM
Cc1cccc(S(=O)(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1C#N	ZINC000826302288	607587649	/nfs/dbraw/zinc/58/76/49/607587649.db2.gz	FKDRRVRONRUUDS-LBPRGKRZSA-N	-1	3	368.422	2.086	20	30		FEEDHM
Cc1cccc(S(=O)(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1C#N	ZINC000826302288	607587650	/nfs/dbraw/zinc/58/76/50/607587650.db2.gz	FKDRRVRONRUUDS-LBPRGKRZSA-N	-1	3	368.422	2.086	20	30		FEEDHM
C[C@@H](C(=O)[O-])[C@H](NCCS(=O)(=O)c1cccc(C#N)c1)c1ccccc1	ZINC000833408866	604481915	/nfs/dbraw/zinc/48/19/15/604481915.db2.gz	XPXHCCRGYITQED-KDOFPFPSSA-N	-1	3	372.446	2.384	20	30		FEEDHM
C#CCCSc1nc(N)c(C(=O)Nc2ccccc2)cc1-c1nnn[n-]1	ZINC000823844903	607709166	/nfs/dbraw/zinc/70/91/66/607709166.db2.gz	JRPLBOWMWRQKNH-UHFFFAOYSA-N	-1	3	365.422	2.212	20	30		FEEDHM
C#CCCSc1nc(N)c(C(=O)Nc2ccccc2)cc1-c1nn[n-]n1	ZINC000823844903	607709168	/nfs/dbraw/zinc/70/91/68/607709168.db2.gz	JRPLBOWMWRQKNH-UHFFFAOYSA-N	-1	3	365.422	2.212	20	30		FEEDHM
N#C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1c(Cl)cccc1Cl	ZINC000826380023	607728886	/nfs/dbraw/zinc/72/88/86/607728886.db2.gz	KKXPRSGAUFJWNT-NSHDSACASA-N	-1	3	362.180	2.496	20	30		FEEDHM
N#C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1c(Cl)cccc1Cl	ZINC000826380023	607728887	/nfs/dbraw/zinc/72/88/87/607728887.db2.gz	KKXPRSGAUFJWNT-NSHDSACASA-N	-1	3	362.180	2.496	20	30		FEEDHM
C=CCCO[C@H](C)C(=O)Nc1ccc(NC(=O)OCC)c(-c2nnn[n-]2)c1	ZINC000823898845	607759724	/nfs/dbraw/zinc/75/97/24/607759724.db2.gz	DPNIZJGUOZLFKC-LLVKDONJSA-N	-1	3	374.401	2.355	20	30		FEEDHM
C=CCCO[C@H](C)C(=O)Nc1ccc(NC(=O)OCC)c(-c2nn[n-]n2)c1	ZINC000823898845	607759725	/nfs/dbraw/zinc/75/97/25/607759725.db2.gz	DPNIZJGUOZLFKC-LLVKDONJSA-N	-1	3	374.401	2.355	20	30		FEEDHM
C=CCN1CCC(NC(=O)C(=O)Nc2ccc(C(C)C)cc2C(=O)[O-])CC1	ZINC000833377273	605925102	/nfs/dbraw/zinc/92/51/02/605925102.db2.gz	UJHQJEMSZYXMBL-UHFFFAOYSA-N	-1	3	373.453	2.213	20	30		FEEDHM
FC(F)(F)c1cc(NN=Cc2cnc3cnccn23)ccc1-c1nnn[n-]1	ZINC000822723906	606036554	/nfs/dbraw/zinc/03/65/54/606036554.db2.gz	SINYKHYDKKHIIK-UHFFFAOYSA-N	-1	3	373.302	2.374	20	30		FEEDHM
FC(F)(F)c1cc(NN=Cc2cnc3cnccn23)ccc1-c1nn[n-]n1	ZINC000822723906	606036559	/nfs/dbraw/zinc/03/65/59/606036559.db2.gz	SINYKHYDKKHIIK-UHFFFAOYSA-N	-1	3	373.302	2.374	20	30		FEEDHM
Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1cccc(OCCCC#N)c1	ZINC000822649859	606233076	/nfs/dbraw/zinc/23/30/76/606233076.db2.gz	LLEBRPJCDYXXOF-UHFFFAOYSA-N	-1	3	351.370	2.140	20	30		FEEDHM
Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1cccc(OCCCC#N)c1	ZINC000822649859	606233078	/nfs/dbraw/zinc/23/30/78/606233078.db2.gz	LLEBRPJCDYXXOF-UHFFFAOYSA-N	-1	3	351.370	2.140	20	30		FEEDHM
C[C@@H]1CCc2c(sc(NC(=O)CCN(C)CCC#N)c2-c2nnn[n-]2)C1	ZINC000820727906	606331743	/nfs/dbraw/zinc/33/17/43/606331743.db2.gz	QPDKNQVHWKAHOA-LLVKDONJSA-N	-1	3	373.486	2.227	20	30		FEEDHM
C[C@@H]1CCc2c(sc(NC(=O)CCN(C)CCC#N)c2-c2nn[n-]n2)C1	ZINC000820727906	606331744	/nfs/dbraw/zinc/33/17/44/606331744.db2.gz	QPDKNQVHWKAHOA-LLVKDONJSA-N	-1	3	373.486	2.227	20	30		FEEDHM
Fc1ccccc1C1N=NC(=S)N1N=Cc1ccc(-c2nnn[n-]2)s1	ZINC000822792507	606369217	/nfs/dbraw/zinc/36/92/17/606369217.db2.gz	YZQNCFXBIALPCX-UHFFFAOYSA-N	-1	3	372.414	2.497	20	30		FEEDHM
N#CCCCOc1cccnc1NC(=O)Cc1cccc(-c2nnn[n-]2)c1	ZINC000822806574	606546213	/nfs/dbraw/zinc/54/62/13/606546213.db2.gz	PVEVACVFXPFPPG-UHFFFAOYSA-N	-1	3	363.381	2.125	20	30		FEEDHM
N#CCCCOc1cccnc1NC(=O)Cc1cccc(-c2nn[n-]n2)c1	ZINC000822806574	606546215	/nfs/dbraw/zinc/54/62/15/606546215.db2.gz	PVEVACVFXPFPPG-UHFFFAOYSA-N	-1	3	363.381	2.125	20	30		FEEDHM
C=CCNc1ncc(C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)s1	ZINC000819751565	606773383	/nfs/dbraw/zinc/77/33/83/606773383.db2.gz	WLIIVYZYDOLYFO-SNVBAGLBSA-N	-1	3	355.427	2.412	20	30		FEEDHM
C=CCNc1ncc(C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)s1	ZINC000819751565	606773384	/nfs/dbraw/zinc/77/33/84/606773384.db2.gz	WLIIVYZYDOLYFO-SNVBAGLBSA-N	-1	3	355.427	2.412	20	30		FEEDHM
Cc1nnc(-c2cccc(C#N)c2)n1Cc1ccc(F)c(-c2nnn[n-]2)c1	ZINC000822505592	607010195	/nfs/dbraw/zinc/01/01/95/607010195.db2.gz	OAVHIQPJJFWLBK-UHFFFAOYSA-N	-1	3	360.356	2.493	20	30		FEEDHM
Cc1nnc(-c2cccc(C#N)c2)n1Cc1ccc(F)c(-c2nn[n-]n2)c1	ZINC000822505592	607010197	/nfs/dbraw/zinc/01/01/97/607010197.db2.gz	OAVHIQPJJFWLBK-UHFFFAOYSA-N	-1	3	360.356	2.493	20	30		FEEDHM
N#Cc1cccc(SCC(=O)NCc2cccc(-c3nnn[n-]3)c2)c1	ZINC000822836979	607012403	/nfs/dbraw/zinc/01/24/03/607012403.db2.gz	CSVQFTVECBBTKG-UHFFFAOYSA-N	-1	3	350.407	2.147	20	30		FEEDHM
N#Cc1cccc(SCC(=O)NCc2cccc(-c3nn[n-]n3)c2)c1	ZINC000822836979	607012404	/nfs/dbraw/zinc/01/24/04/607012404.db2.gz	CSVQFTVECBBTKG-UHFFFAOYSA-N	-1	3	350.407	2.147	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1c[nH]c(=O)cc1C	ZINC000819745705	607033960	/nfs/dbraw/zinc/03/39/60/607033960.db2.gz	QARGXRCYWXHWFE-UHFFFAOYSA-N	-1	3	350.382	2.104	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1c[nH]c(=O)cc1C	ZINC000819745705	607033961	/nfs/dbraw/zinc/03/39/61/607033961.db2.gz	QARGXRCYWXHWFE-UHFFFAOYSA-N	-1	3	350.382	2.104	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](C)C[C@@H]1CCOC1	ZINC000819744118	607144640	/nfs/dbraw/zinc/14/46/40/607144640.db2.gz	XBCXQNFIELYPNK-HOCLYGCPSA-N	-1	3	370.457	2.379	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](C)C[C@@H]1CCOC1	ZINC000819744118	607144642	/nfs/dbraw/zinc/14/46/42/607144642.db2.gz	XBCXQNFIELYPNK-HOCLYGCPSA-N	-1	3	370.457	2.379	20	30		FEEDHM
C=C(C)[C@H](CC(=O)N(CCOC)Cc1ccc(-c2nnn[n-]2)cc1)OCC	ZINC000823873075	607881620	/nfs/dbraw/zinc/88/16/20/607881620.db2.gz	HQWMSLQJCCCXJI-KRWDZBQOSA-N	-1	3	373.457	2.213	20	30		FEEDHM
C=C(C)[C@H](CC(=O)N(CCOC)Cc1ccc(-c2nn[n-]n2)cc1)OCC	ZINC000823873075	607881621	/nfs/dbraw/zinc/88/16/21/607881621.db2.gz	HQWMSLQJCCCXJI-KRWDZBQOSA-N	-1	3	373.457	2.213	20	30		FEEDHM
C(=NNc1ccc(-c2nn[n-]n2)cc1)c1c(-n2ccnc2)nc2ccccn12	ZINC000823861559	607885742	/nfs/dbraw/zinc/88/57/42/607885742.db2.gz	NIDLOCKHMPCABP-UHFFFAOYSA-N	-1	3	370.380	2.146	20	30		FEEDHM
C[C@@H](Oc1ccccc1C#N)C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21	ZINC000824756934	607946988	/nfs/dbraw/zinc/94/69/88/607946988.db2.gz	SGURKGPKMFSCLW-GFCCVEGCSA-N	-1	3	360.377	2.095	20	30		FEEDHM
C[C@@H](Oc1ccccc1C#N)C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21	ZINC000824756934	607946989	/nfs/dbraw/zinc/94/69/89/607946989.db2.gz	SGURKGPKMFSCLW-GFCCVEGCSA-N	-1	3	360.377	2.095	20	30		FEEDHM
CCN(C[C@@H](C)C#N)[C@@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2	ZINC000825399264	608154328	/nfs/dbraw/zinc/15/43/28/608154328.db2.gz	NUNBHRCHUMORBH-QWRGUYRKSA-N	-1	3	373.486	2.225	20	30		FEEDHM
CCN(C[C@@H](C)C#N)[C@@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2	ZINC000825399264	608154329	/nfs/dbraw/zinc/15/43/29/608154329.db2.gz	NUNBHRCHUMORBH-QWRGUYRKSA-N	-1	3	373.486	2.225	20	30		FEEDHM
NC(=NOCc1cccc(-c2nnn[n-]2)c1)c1ccc(Br)o1	ZINC000826389307	608154913	/nfs/dbraw/zinc/15/49/13/608154913.db2.gz	VDMZHXOWHNYAKT-UHFFFAOYSA-N	-1	3	363.175	2.059	20	30		FEEDHM
NC(=NOCc1cccc(-c2nn[n-]n2)c1)c1ccc(Br)o1	ZINC000826389307	608154915	/nfs/dbraw/zinc/15/49/15/608154915.db2.gz	VDMZHXOWHNYAKT-UHFFFAOYSA-N	-1	3	363.175	2.059	20	30		FEEDHM
C#Cc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)cn1	ZINC000823861501	608162192	/nfs/dbraw/zinc/16/21/92/608162192.db2.gz	KXBYVWHZBDQDEU-UHFFFAOYSA-N	-1	3	369.728	2.057	20	30		FEEDHM
C#Cc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)cn1	ZINC000823861501	608162193	/nfs/dbraw/zinc/16/21/93/608162193.db2.gz	KXBYVWHZBDQDEU-UHFFFAOYSA-N	-1	3	369.728	2.057	20	30		FEEDHM
C=CCCO[C@H](C)C(=O)Nc1nc2cc(-c3nnn[n-]3)ccc2n1CC	ZINC000823899434	608176842	/nfs/dbraw/zinc/17/68/42/608176842.db2.gz	WCRMORBBXAFBLG-LLVKDONJSA-N	-1	3	355.402	2.156	20	30		FEEDHM
C=CCCO[C@H](C)C(=O)Nc1nc2cc(-c3nn[n-]n3)ccc2n1CC	ZINC000823899434	608176843	/nfs/dbraw/zinc/17/68/43/608176843.db2.gz	WCRMORBBXAFBLG-LLVKDONJSA-N	-1	3	355.402	2.156	20	30		FEEDHM
Cc1nn(-c2ccccc2)c(CN(CCC#N)CC2CC2)c1-c1nnn[n-]1	ZINC000826332433	608316101	/nfs/dbraw/zinc/31/61/01/608316101.db2.gz	UGSOFLIQFSSPEJ-UHFFFAOYSA-N	-1	3	362.441	2.487	20	30		FEEDHM
Cc1nn(-c2ccccc2)c(CN(CCC#N)CC2CC2)c1-c1nn[n-]n1	ZINC000826332433	608316103	/nfs/dbraw/zinc/31/61/03/608316103.db2.gz	UGSOFLIQFSSPEJ-UHFFFAOYSA-N	-1	3	362.441	2.487	20	30		FEEDHM
CCOc1cc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)ccc1O	ZINC000825616142	608535901	/nfs/dbraw/zinc/53/59/01/608535901.db2.gz	XVGDXVJVVKGCBY-UHFFFAOYSA-N	-1	3	359.777	2.465	20	30		FEEDHM
CCOc1cc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)ccc1O	ZINC000825616142	608535903	/nfs/dbraw/zinc/53/59/03/608535903.db2.gz	XVGDXVJVVKGCBY-UHFFFAOYSA-N	-1	3	359.777	2.465	20	30		FEEDHM
N#Cc1ccc(OC2CCC(Nc3ccc(-c4nnn[n-]4)nc3)CC2)nc1	ZINC000826386125	608558633	/nfs/dbraw/zinc/55/86/33/608558633.db2.gz	PYICDPMSLFJMGB-UHFFFAOYSA-N	-1	3	362.397	2.330	20	30		FEEDHM
N#Cc1ccc(OC2CCC(Nc3ccc(-c4nn[n-]n4)nc3)CC2)nc1	ZINC000826386125	608558634	/nfs/dbraw/zinc/55/86/34/608558634.db2.gz	PYICDPMSLFJMGB-UHFFFAOYSA-N	-1	3	362.397	2.330	20	30		FEEDHM
C=CC[C@H](C)NC(=O)NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1	ZINC000823888020	608621818	/nfs/dbraw/zinc/62/18/18/608621818.db2.gz	CVNRPDWXVWEZKD-GRTSSRMGSA-N	-1	3	371.445	2.216	20	30		FEEDHM
C=CC[C@H](C)NC(=O)NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1	ZINC000823888020	608621820	/nfs/dbraw/zinc/62/18/20/608621820.db2.gz	CVNRPDWXVWEZKD-GRTSSRMGSA-N	-1	3	371.445	2.216	20	30		FEEDHM
N#Cc1csc(CN2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)c1	ZINC000826387698	608854669	/nfs/dbraw/zinc/85/46/69/608854669.db2.gz	LOUHKLKXBAVZOL-INIZCTEOSA-N	-1	3	352.423	2.373	20	30		FEEDHM
N#Cc1csc(CN2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)c1	ZINC000826387698	608854672	/nfs/dbraw/zinc/85/46/72/608854672.db2.gz	LOUHKLKXBAVZOL-INIZCTEOSA-N	-1	3	352.423	2.373	20	30		FEEDHM
CCc1nn(C)cc1C=CC(=O)c1c(C)n2c(c1-c1nnn[n-]1)CCC2	ZINC000825763534	608879146	/nfs/dbraw/zinc/87/91/46/608879146.db2.gz	YZICDDJHCPGLQN-FPLPWBNLSA-N	-1	3	351.414	2.115	20	30		FEEDHM
CCc1nn(C)cc1C=CC(=O)c1c(C)n2c(c1-c1nn[n-]n1)CCC2	ZINC000825763534	608879150	/nfs/dbraw/zinc/87/91/50/608879150.db2.gz	YZICDDJHCPGLQN-FPLPWBNLSA-N	-1	3	351.414	2.115	20	30		FEEDHM
Cc1cc(C(=O)O[C@@H](C#N)C(C)C)nn1-c1cccc(-c2nnn[n-]2)c1	ZINC000826261042	609143581	/nfs/dbraw/zinc/14/35/81/609143581.db2.gz	OUWKWOYQNKGFBJ-HNNXBMFYSA-N	-1	3	351.370	2.066	20	30		FEEDHM
Cc1cc(C(=O)O[C@@H](C#N)C(C)C)nn1-c1cccc(-c2nn[n-]n2)c1	ZINC000826261042	609143583	/nfs/dbraw/zinc/14/35/83/609143583.db2.gz	OUWKWOYQNKGFBJ-HNNXBMFYSA-N	-1	3	351.370	2.066	20	30		FEEDHM
CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCC(C)(C#N)CC1	ZINC000824207462	609173217	/nfs/dbraw/zinc/17/32/17/609173217.db2.gz	WYSNIGGVVFMETH-INIZCTEOSA-N	-1	3	368.441	2.422	20	30		FEEDHM
CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCC(C)(C#N)CC1	ZINC000824207462	609173219	/nfs/dbraw/zinc/17/32/19/609173219.db2.gz	WYSNIGGVVFMETH-INIZCTEOSA-N	-1	3	368.441	2.422	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(C)nc1OC	ZINC000823914733	609180091	/nfs/dbraw/zinc/18/00/91/609180091.db2.gz	MTLWKHMJXVZXRX-UHFFFAOYSA-N	-1	3	364.409	2.407	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(C)nc1OC	ZINC000823914733	609180093	/nfs/dbraw/zinc/18/00/93/609180093.db2.gz	MTLWKHMJXVZXRX-UHFFFAOYSA-N	-1	3	364.409	2.407	20	30		FEEDHM
C=CCN(CCc1ccccc1)C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1	ZINC000823903728	609213364	/nfs/dbraw/zinc/21/33/64/609213364.db2.gz	ISOMPYQYSKUGMR-SFHVURJKSA-N	-1	3	363.421	2.157	20	30		FEEDHM
C=CCN(CCc1ccccc1)C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1	ZINC000823903728	609213366	/nfs/dbraw/zinc/21/33/66/609213366.db2.gz	ISOMPYQYSKUGMR-SFHVURJKSA-N	-1	3	363.421	2.157	20	30		FEEDHM
C=CCN(CC1CCCCC1)C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1	ZINC000823904173	609228025	/nfs/dbraw/zinc/22/80/25/609228025.db2.gz	WLLAEDZBAUOWCH-KRWDZBQOSA-N	-1	3	355.442	2.495	20	30		FEEDHM
C=CCN(CC1CCCCC1)C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1	ZINC000823904173	609228027	/nfs/dbraw/zinc/22/80/27/609228027.db2.gz	WLLAEDZBAUOWCH-KRWDZBQOSA-N	-1	3	355.442	2.495	20	30		FEEDHM
CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H]1CCC[C@H]1C#N	ZINC000824319091	609263439	/nfs/dbraw/zinc/26/34/39/609263439.db2.gz	FJAMURDUSBJZIZ-QWHCGFSZSA-N	-1	3	355.402	2.468	20	30		FEEDHM
CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H]1CCC[C@H]1C#N	ZINC000824319091	609263440	/nfs/dbraw/zinc/26/34/40/609263440.db2.gz	FJAMURDUSBJZIZ-QWHCGFSZSA-N	-1	3	355.402	2.468	20	30		FEEDHM
C=CCCOCC(=O)OCc1ccc(-c2nnn[n-]2)cc1Br	ZINC000823899174	609343807	/nfs/dbraw/zinc/34/38/07/609343807.db2.gz	OIBZIGOSTXSDCM-UHFFFAOYSA-N	-1	3	367.203	2.265	20	30		FEEDHM
C=CCCOCC(=O)OCc1ccc(-c2nn[n-]n2)cc1Br	ZINC000823899174	609343809	/nfs/dbraw/zinc/34/38/09/609343809.db2.gz	OIBZIGOSTXSDCM-UHFFFAOYSA-N	-1	3	367.203	2.265	20	30		FEEDHM
C=CCN(C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1)C1CC1	ZINC000823903725	609357471	/nfs/dbraw/zinc/35/74/71/609357471.db2.gz	IRBKNOOANRNVDQ-UHFFFAOYSA-N	-1	3	368.376	2.374	20	30		FEEDHM
COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)OCC(C)(C)C#N	ZINC000826176052	609358706	/nfs/dbraw/zinc/35/87/06/609358706.db2.gz	YMKITYAZUMHYKA-UHFFFAOYSA-N	-1	3	359.386	2.127	20	30		FEEDHM
COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)OCC(C)(C)C#N	ZINC000826176052	609358708	/nfs/dbraw/zinc/35/87/08/609358708.db2.gz	YMKITYAZUMHYKA-UHFFFAOYSA-N	-1	3	359.386	2.127	20	30		FEEDHM
CC(=O)N1Cc2ccccc2C(=O)C(=Cc2ccc(-c3nnn[n-]3)cc2)C1	ZINC000823974851	609405812	/nfs/dbraw/zinc/40/58/12/609405812.db2.gz	TVGYIBILQBSTBB-LICLKQGHSA-N	-1	3	359.389	2.495	20	30		FEEDHM
CC(=O)N1Cc2ccccc2C(=O)C(=Cc2ccc(-c3nn[n-]n3)cc2)C1	ZINC000823974851	609405813	/nfs/dbraw/zinc/40/58/13/609405813.db2.gz	TVGYIBILQBSTBB-LICLKQGHSA-N	-1	3	359.389	2.495	20	30		FEEDHM
N#CCC1CCN(CC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1	ZINC000826381114	609428902	/nfs/dbraw/zinc/42/89/02/609428902.db2.gz	XTEAQHZJHITVMA-UHFFFAOYSA-N	-1	3	359.821	2.084	20	30		FEEDHM
N#CCC1CCN(CC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1	ZINC000826381114	609428903	/nfs/dbraw/zinc/42/89/03/609428903.db2.gz	XTEAQHZJHITVMA-UHFFFAOYSA-N	-1	3	359.821	2.084	20	30		FEEDHM
CC(C)(C#N)CNC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1	ZINC000824059524	609429582	/nfs/dbraw/zinc/42/95/82/609429582.db2.gz	ZNIPBJCBZVMACV-UHFFFAOYSA-N	-1	3	366.381	2.318	20	30		FEEDHM
CC(C)(C#N)CNC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1	ZINC000824059524	609429583	/nfs/dbraw/zinc/42/95/83/609429583.db2.gz	ZNIPBJCBZVMACV-UHFFFAOYSA-N	-1	3	366.381	2.318	20	30		FEEDHM
COC(=O)COc1ccc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)cc1	ZINC000826138366	609441714	/nfs/dbraw/zinc/44/17/14/609441714.db2.gz	RFQLAXUFEBFDGI-JXMROGBWSA-N	-1	3	364.361	2.315	20	30		FEEDHM
COC(=O)COc1ccc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)cc1	ZINC000826138366	609441717	/nfs/dbraw/zinc/44/17/17/609441717.db2.gz	RFQLAXUFEBFDGI-JXMROGBWSA-N	-1	3	364.361	2.315	20	30		FEEDHM
O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1ccnc(Cl)c1	ZINC000826403123	609442462	/nfs/dbraw/zinc/44/24/62/609442462.db2.gz	KKIPLTHPYMZDET-NSCUHMNNSA-N	-1	3	351.757	2.459	20	30		FEEDHM
O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1ccnc(Cl)c1	ZINC000826403123	609442464	/nfs/dbraw/zinc/44/24/64/609442464.db2.gz	KKIPLTHPYMZDET-NSCUHMNNSA-N	-1	3	351.757	2.459	20	30		FEEDHM
C=CCN(CCc1ccco1)S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1	ZINC000823910034	609450039	/nfs/dbraw/zinc/45/00/39/609450039.db2.gz	WROFRZXRFBSKAZ-UHFFFAOYSA-N	-1	3	373.438	2.020	20	30		FEEDHM
C=CCN(CCc1ccco1)S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1	ZINC000823910034	609450042	/nfs/dbraw/zinc/45/00/42/609450042.db2.gz	WROFRZXRFBSKAZ-UHFFFAOYSA-N	-1	3	373.438	2.020	20	30		FEEDHM
O=C1[C@H](N=Cc2ccccc2O)CCCN1c1ccc(-c2nn[n-]n2)cc1	ZINC000826476803	609505757	/nfs/dbraw/zinc/50/57/57/609505757.db2.gz	PMQRTIRDDLHRLV-DDLUMYACSA-N	-1	3	362.393	2.187	20	30		FEEDHM
CCOc1ccc(-c2nc(C)c(C(=O)N[C@H]3CCN([O-])C3=O)s2)cc1	ZINC000816692691	675073384	/nfs/dbraw/zinc/07/33/84/675073384.db2.gz	SZWPIQLOMUCHLT-ZDUSSCGKSA-N	-1	3	361.423	2.237	20	30		FEEDHM
C=CCN(CCC#N)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1	ZINC000816803270	675080130	/nfs/dbraw/zinc/08/01/30/675080130.db2.gz	UZRLJGFSLBIODY-UHFFFAOYSA-N	-1	3	353.419	2.054	20	30		FEEDHM
CN(C)S(=O)(=O)c1cc(C([O-])=C(C#N)c2ccccn2)ccc1Cl	ZINC000046706168	670228762	/nfs/dbraw/zinc/22/87/62/670228762.db2.gz	VKUMYSGMNXKPCV-GFCCVEGCSA-N	-1	3	363.826	2.475	20	30		FEEDHM
COc1ccc(CN(C)C)cc1[N-]S(=O)(=O)c1cnc(C)c(C#N)c1	ZINC000577361332	671590589	/nfs/dbraw/zinc/59/05/89/671590589.db2.gz	NSMXYHSYWBOMFS-UHFFFAOYSA-N	-1	3	360.439	2.133	20	30		FEEDHM
CO[C@H](CS(=O)(=O)[N-]c1cccc(C#N)c1Br)C1CC1	ZINC000579717326	671755961	/nfs/dbraw/zinc/75/59/61/671755961.db2.gz	DWGSEYVECRAPGM-GFCCVEGCSA-N	-1	3	359.245	2.487	20	30		FEEDHM
COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@]2(C#N)CCC[C@H](C)C2)c1	ZINC000130503283	672075989	/nfs/dbraw/zinc/07/59/89/672075989.db2.gz	PKOBWGKGIPBUSQ-MEDUHNTESA-N	-1	3	354.403	2.363	20	30		FEEDHM
C#Cc1cccc(NC(=O)C[N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c1	ZINC000173049638	672347550	/nfs/dbraw/zinc/34/75/50/672347550.db2.gz	STGYJNVIFKHGBJ-UHFFFAOYSA-N	-1	3	368.336	2.002	20	30		FEEDHM
COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]Cc1ccc(C#N)cc1F	ZINC000178537567	672392281	/nfs/dbraw/zinc/39/22/81/672392281.db2.gz	URRCLYKHPYCENY-UHFFFAOYSA-N	-1	3	366.345	2.102	20	30		FEEDHM
CCOC(=O)c1[n-]c(C)c(S(=O)(=O)OCC(F)(F)C(F)F)c1C	ZINC000178855545	672395959	/nfs/dbraw/zinc/39/59/59/672395959.db2.gz	GCDVWLJKRXGEAB-UHFFFAOYSA-N	-1	3	361.313	2.414	20	30		FEEDHM
C=CCOCC[N-]S(=O)(=O)c1cc(F)c(Br)cc1OC	ZINC000679473881	672499527	/nfs/dbraw/zinc/49/95/27/672499527.db2.gz	DHUDHHCSKGBIJW-UHFFFAOYSA-N	-1	3	368.224	2.078	20	30		FEEDHM
COc1ccc(C[N-]S(=O)(=O)c2ccsc2C#N)c(OC)c1OC	ZINC000593535467	672936203	/nfs/dbraw/zinc/93/62/03/672936203.db2.gz	XNKCBASXKNUXPH-UHFFFAOYSA-N	-1	3	368.436	2.124	20	30		FEEDHM
CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)[C@@H](C#N)CC)cc1	ZINC000594578755	673101865	/nfs/dbraw/zinc/10/18/65/673101865.db2.gz	DUJNFYJYPRZJOD-CQSZACIVSA-N	-1	3	373.500	2.151	20	30		FEEDHM
COC(=O)[C@@]1([N-]S(=O)(=O)c2ccc(C#N)cc2F)CC[C@@H](C)CC1	ZINC000594838394	673157828	/nfs/dbraw/zinc/15/78/28/673157828.db2.gz	YNUNSHIAIZYQHX-SXUIPJSXSA-N	-1	3	354.403	2.098	20	30		FEEDHM
CSc1ccc([O-])c(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1	ZINC000596704901	673405828	/nfs/dbraw/zinc/40/58/28/673405828.db2.gz	FKNANIKZBMLODD-UHFFFAOYSA-N	-1	3	354.435	2.343	20	30		FEEDHM
N#Cc1ccc(C=Nn2c(=S)[n-]nc2[C@H]2COc3ccccc3O2)o1	ZINC000743427165	673759504	/nfs/dbraw/zinc/75/95/04/673759504.db2.gz	JSLKVQGYVCXVIW-CQSZACIVSA-N	-1	3	353.363	2.426	20	30		FEEDHM
Cc1cc2c(c(C)c1)NC(=O)C2=N[N-]S(=O)(=O)CCc1ccccc1	ZINC000743449287	673760179	/nfs/dbraw/zinc/76/01/79/673760179.db2.gz	UHXMSHCDKJQHKJ-UHFFFAOYSA-N	-1	3	357.435	2.122	20	30		FEEDHM
O=C(CCCSc1ccc(Br)cc1)N[C@H]1CCN([O-])C1=O	ZINC000820155831	675339774	/nfs/dbraw/zinc/33/97/74/675339774.db2.gz	AFZYJFKYBIGICP-LBPRGKRZSA-N	-1	3	373.272	2.428	20	30		FEEDHM
O=C(Nc1ccc(C(=O)N[C@H]2CCN([O-])C2=O)s1)Nc1ccccc1	ZINC000820185022	675342188	/nfs/dbraw/zinc/34/21/88/675342188.db2.gz	HJYIVHFHUYHQEO-NSHDSACASA-N	-1	3	360.395	2.112	20	30		FEEDHM
O=C([N-][C@@H]1CCCN(O)C1=O)C(F)(F)c1cccc(Br)c1	ZINC000820544422	675368834	/nfs/dbraw/zinc/36/88/34/675368834.db2.gz	KNNCUPRDOZGXTB-SNVBAGLBSA-N	-1	3	363.158	2.037	20	30		FEEDHM
CC(C)(C)[C@@](C)(C#N)NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1	ZINC000824070765	675582748	/nfs/dbraw/zinc/58/27/48/675582748.db2.gz	BTHUNYJIMKTZQR-CQSZACIVSA-N	-1	3	368.850	2.127	20	30		FEEDHM
CC(C)(C)[C@@](C)(C#N)NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1	ZINC000824070765	675582751	/nfs/dbraw/zinc/58/27/51/675582751.db2.gz	BTHUNYJIMKTZQR-CQSZACIVSA-N	-1	3	368.850	2.127	20	30		FEEDHM
C=CC[C@H](CC)[N-]S(=O)(=O)c1cnn2cc(Br)cnc12	ZINC000641475334	677207361	/nfs/dbraw/zinc/20/73/61/677207361.db2.gz	ICAFLIDLUXZPAB-JTQLQIEISA-N	-1	3	359.249	2.125	20	30		FEEDHM
C=C(C)COc1cccc([N-]S(=O)(=O)C[C@@H](OC)[C@@H]2CCOC2)c1	ZINC000656620773	677786691	/nfs/dbraw/zinc/78/66/91/677786691.db2.gz	GVKAECLJMOSWIQ-RHSMWYFYSA-N	-1	3	355.456	2.435	20	30		FEEDHM
CC(=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(O)cc1F	ZINC000748255556	679946529	/nfs/dbraw/zinc/94/65/29/679946529.db2.gz	YQYYSKNUJPSFOW-UHFFFAOYSA-N	-1	3	353.331	2.142	20	30		FEEDHM
Cn1[n-]ccc1=NN=Cc1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2	ZINC000834970640	680285461	/nfs/dbraw/zinc/28/54/61/680285461.db2.gz	ZXKSQVVDBVKMTF-UHFFFAOYSA-N	-1	3	362.459	2.038	20	30		FEEDHM
C#CCSCCNC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-]	ZINC000755391782	680412623	/nfs/dbraw/zinc/41/26/23/680412623.db2.gz	HFRLZOKUDGOCBW-UHFFFAOYSA-N	-1	3	359.407	2.037	20	30		FEEDHM
Fc1ccc(-n2cc(C=N[N-]c3[nH+]cnc4[n-]cnc43)nn2)c(Cl)c1	ZINC000755662094	680427492	/nfs/dbraw/zinc/42/74/92/680427492.db2.gz	WHNGRHKLNGKPLC-UHFFFAOYSA-N	-1	3	357.740	2.172	20	30		FEEDHM
CC[C@@H]1CCC[C@@H]1NC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000757011190	680510453	/nfs/dbraw/zinc/51/04/53/680510453.db2.gz	SDDORNIGECHIRM-GUTXKFCHSA-N	-1	3	363.483	2.199	20	30		FEEDHM
C=C(CC)CNC(=O)[C@@H](CCCC)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000837100634	680552895	/nfs/dbraw/zinc/55/28/95/680552895.db2.gz	ITZYBBLLYGYUGN-OAHLLOKOSA-N	-1	3	363.483	2.366	20	30		FEEDHM
CC(C)C[C@@H]1C[C@H]1NC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000837901350	680659119	/nfs/dbraw/zinc/65/91/19/680659119.db2.gz	PYRAYSRIFAVVFB-GZBFAFLISA-N	-1	3	363.483	2.055	20	30		FEEDHM
O=S(=O)(CCc1ccccc1)[N-]N=Cc1ccn(-c2ccccc2)n1	ZINC000766707588	680885528	/nfs/dbraw/zinc/88/55/28/680885528.db2.gz	XWVRIZCWUOAMEI-UHFFFAOYSA-N	-1	3	354.435	2.368	20	30		FEEDHM
CC(=N[N-]c1nc2c(cnn2C)c(O)n1)c1c(Cl)nc2sccn21	ZINC000769819591	680996387	/nfs/dbraw/zinc/99/63/87/680996387.db2.gz	NYKMVQCHPQDNBH-UHFFFAOYSA-N	-1	3	362.806	2.268	20	30		FEEDHM
C#CC1CCN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)CC1	ZINC000843706993	681014243	/nfs/dbraw/zinc/01/42/43/681014243.db2.gz	PLWMUGOASFXBBV-UHFFFAOYSA-N	-1	3	366.458	2.388	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)OCc2ncc(C)s2)ccc1F	ZINC000771898746	681073655	/nfs/dbraw/zinc/07/36/55/681073655.db2.gz	OTAVCTIWQHLJKV-UHFFFAOYSA-N	-1	3	370.427	2.412	20	30		FEEDHM
CC#CCC[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl	ZINC000772941266	681119176	/nfs/dbraw/zinc/11/91/76/681119176.db2.gz	XNDKXUAMRXJCRS-UHFFFAOYSA-N	-1	3	350.223	2.472	20	30		FEEDHM
CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCC(CC#N)CC2)ccc1F	ZINC000782054107	682002651	/nfs/dbraw/zinc/00/26/51/682002651.db2.gz	YUCFXMNKAXCCMO-UHFFFAOYSA-N	-1	3	367.446	2.278	20	30		FEEDHM
Cc1cc(C)c(N2CC[C@@H]([N-]S(=O)(=O)CC(C)(C)C#N)C2=O)c(C)c1	ZINC000914426080	685507772	/nfs/dbraw/zinc/50/77/72/685507772.db2.gz	XPOKOLNGVPMOII-OAHLLOKOSA-N	-1	3	363.483	2.186	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)NN2[C@@H](C)CCC[C@@H]2C)ccc1F	ZINC000914457173	685508086	/nfs/dbraw/zinc/50/80/86/685508086.db2.gz	MMDDSQJNMHGPIQ-STQMWFEESA-N	-1	3	369.462	2.198	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)OCc2cccnc2)ccc1F	ZINC000914459621	685508114	/nfs/dbraw/zinc/50/81/14/685508114.db2.gz	VLWZBXMMQDPMFS-UHFFFAOYSA-N	-1	3	350.371	2.042	20	30		FEEDHM
CC(C)(C)[C@@H]([N-]S(C)(=O)=O)C(=O)OCc1ccc(C#N)cc1Cl	ZINC000784239074	682209596	/nfs/dbraw/zinc/20/95/96/682209596.db2.gz	YUSBUAAVFUXMDR-ZDUSSCGKSA-N	-1	3	358.847	2.219	20	30		FEEDHM
CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@](C)(C#N)C2)ccc1F	ZINC000784747781	682251703	/nfs/dbraw/zinc/25/17/03/682251703.db2.gz	QEARHVMQIFVNPO-QGZVFWFLSA-N	-1	3	367.446	2.278	20	30		FEEDHM
C#C[C@](C)(CC)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1	ZINC000854703440	682580900	/nfs/dbraw/zinc/58/09/00/682580900.db2.gz	UOVUBEQDBKGIHT-QGZVFWFLSA-N	-1	3	354.447	2.434	20	30		FEEDHM
C[C@@H](CNC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21)C1CCCCC1	ZINC000856224683	682755697	/nfs/dbraw/zinc/75/56/97/682755697.db2.gz	INMRLTYVRKUISP-ZDUSSCGKSA-N	-1	3	363.483	2.058	20	30		FEEDHM
COC(=O)C[C@@H]1CCC(=N[N-]S(=O)(=O)CCc2ccccc2)[C@@H]1C	ZINC000794516800	682974445	/nfs/dbraw/zinc/97/44/45/682974445.db2.gz	WNZWHUDIZGMINE-HIFRSBDPSA-N	-1	3	352.456	2.114	20	30		FEEDHM
C[C@@H]1CCC(=N[N-]S(=O)(=O)CCc2ccccc2)[C@H](n2cncn2)C1	ZINC000794515803	682974491	/nfs/dbraw/zinc/97/44/91/682974491.db2.gz	NFESWVNHFBSFSV-RHSMWYFYSA-N	-1	3	361.471	2.157	20	30		FEEDHM
CO[C@]12CCC[C@@]1([N-]S(=O)(=O)Cc1c(C)cc(C#N)cc1C)CCO2	ZINC000921314305	683418775	/nfs/dbraw/zinc/41/87/75/683418775.db2.gz	MBYBHKPXGGOOIK-MSOLQXFVSA-N	-1	3	364.467	2.280	20	30		FEEDHM
C=CC[C@H]1CCN(C(=O)C[C@H](C)[N-]S(=O)(=O)c2cccnc2Cl)C1	ZINC000862543257	683599949	/nfs/dbraw/zinc/59/99/49/683599949.db2.gz	FXOVCXKCBNAHGL-STQMWFEESA-N	-1	3	371.890	2.217	20	30		FEEDHM
CC(C)(C)[C@@H]([N-]S(C)(=O)=O)C(=O)OCc1cc(Cl)cc(C#N)c1	ZINC000922541119	683743857	/nfs/dbraw/zinc/74/38/57/683743857.db2.gz	HNRNSFKMKMYSAN-ZDUSSCGKSA-N	-1	3	358.847	2.219	20	30		FEEDHM
C[C@]1(c2cccc(Br)c2)C[C@H]1C(=O)N[C@H]1CCCN([O-])C1=O	ZINC000868563936	684511832	/nfs/dbraw/zinc/51/18/32/684511832.db2.gz	YKBZQLSGNCZAOG-HEHGZKQESA-N	-1	3	367.243	2.223	20	30		FEEDHM
O=C(Nc1cc(F)ccc1OCC(F)(F)F)N[C@@H]1CCCN([O-])C1=O	ZINC000878126400	686525955	/nfs/dbraw/zinc/52/59/55/686525955.db2.gz	WVVDAXROIACMTQ-SECBINFHSA-N	-1	3	365.283	2.269	20	30		FEEDHM
CSc1cnn(-c2ccccc2)c1NC(=O)N[C@@H]1CCCN([O-])C1=O	ZINC000878920561	686690480	/nfs/dbraw/zinc/69/04/80/686690480.db2.gz	RNKYFWDRQGEUIX-GFCCVEGCSA-N	-1	3	361.427	2.096	20	30		FEEDHM
C[S@](=O)(=NS(=O)(=O)[N-]CCc1ccc(C#N)cc1)C1CCCCC1	ZINC000882386667	687358552	/nfs/dbraw/zinc/35/85/52/687358552.db2.gz	OWFZFVZFFHCDTC-HSZRJFAPSA-N	-1	3	369.512	2.366	20	30		FEEDHM
CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NC/C=C/Cl	ZINC000891212774	689033266	/nfs/dbraw/zinc/03/32/66/689033266.db2.gz	XJIBJTLRQYKFGN-PPOCWRSBSA-N	-1	3	369.874	2.153	20	30		FEEDHM
C#CCOc1cccc(Cl)c1CN[C@H](C)c1n[n-]c(C(=O)OCC)n1	ZINC000895232825	689681587	/nfs/dbraw/zinc/68/15/87/689681587.db2.gz	JDLKUNNNNGSMPW-LLVKDONJSA-N	-1	3	362.817	2.498	20	30		FEEDHM
C#CCOc1cccc(Cl)c1CN[C@H](C)c1nnc(C(=O)OCC)[n-]1	ZINC000895232825	689681589	/nfs/dbraw/zinc/68/15/89/689681589.db2.gz	JDLKUNNNNGSMPW-LLVKDONJSA-N	-1	3	362.817	2.498	20	30		FEEDHM
COCC[C@@](C)(C#N)[N-]S(=O)(=O)c1cnc(-c2ccccc2)s1	ZINC000903629892	690944304	/nfs/dbraw/zinc/94/43/04/690944304.db2.gz	BYANTRZIPLKGPH-HNNXBMFYSA-N	-1	3	351.453	2.407	20	30		FEEDHM
CS(=O)(=O)NCCc1ccc(C(=O)N([O-])Cc2ccc(F)cc2)s1	ZINC000904173486	691009716	/nfs/dbraw/zinc/00/97/16/691009716.db2.gz	RNOOPBVEYXNFBE-UHFFFAOYSA-N	-1	3	372.443	2.011	20	30		FEEDHM
CC[C@@H]([N-]S(=O)(=O)c1c(C#N)sc2ccccc21)[C@@H](O)C(F)F	ZINC000907226786	691426724	/nfs/dbraw/zinc/42/67/24/691426724.db2.gz	NLNQZWPPLCQUOB-BXKDBHETSA-N	-1	3	360.407	2.456	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]C[C@@H](OC2CCCC2)C(F)(F)F)nc1	ZINC000907278814	691439345	/nfs/dbraw/zinc/43/93/45/691439345.db2.gz	KRZANJIQKBVPNR-GFCCVEGCSA-N	-1	3	363.361	2.122	20	30		FEEDHM
O=C(N[C@@H]1CCCN([O-])C1=O)c1cc(Br)ccc1C1CC1	ZINC000908403491	691673644	/nfs/dbraw/zinc/67/36/44/691673644.db2.gz	RANNSYBMVZDACM-CYBMUJFWSA-N	-1	3	353.216	2.437	20	30		FEEDHM
C#CCN(C)CCCNC(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1	ZINC000909036828	939372559	/nfs/dbraw/zinc/37/25/59/939372559.db2.gz	AZOXRIUIIAKETF-GOSISDBHSA-N	-1	3	353.422	2.220	20	30		FEEDHM
C#CCN1CCC(C(=O)N[C@@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)CC1	ZINC000911063600	939769662	/nfs/dbraw/zinc/76/96/62/939769662.db2.gz	KXDXSGJWKMSPLP-OAHLLOKOSA-N	-1	3	368.355	2.293	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccnc1-n1cccn1	ZINC000046016691	540237409	/nfs/dbraw/zinc/23/74/09/540237409.db2.gz	MVXQJGWWTNNMMT-UHFFFAOYSA-N	-1	3	362.393	2.015	20	30		FEEDHM
C=CCOc1ccc(C(=O)NCCNC(=O)c2ccc([O-])cc2)cc1OC	ZINC000047552739	540318038	/nfs/dbraw/zinc/31/80/38/540318038.db2.gz	ABGXCDMGYFIRRK-UHFFFAOYSA-N	-1	3	370.405	2.125	20	30		FEEDHM
COCCOc1cccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1	ZINC000055571421	540659846	/nfs/dbraw/zinc/65/98/46/540659846.db2.gz	FAKYCUMHGXDMAB-UHFFFAOYSA-N	-1	3	369.421	2.460	20	30		FEEDHM
COc1ccc(C([O-])=C(C#N)c2nc(C)cs2)cc1N1CCNC1=O	ZINC000076764219	542321256	/nfs/dbraw/zinc/32/12/56/542321256.db2.gz	RBDVFRWYOHQLKA-LBPRGKRZSA-N	-1	3	356.407	2.480	20	30		FEEDHM
N#C[C@@H](c1ccccc1)N1CCN(Cc2nc3ccsc3c(=O)[n-]2)CC1	ZINC000078616022	542471449	/nfs/dbraw/zinc/47/14/49/542471449.db2.gz	NDCIZSBVKLRNBY-INIZCTEOSA-N	-1	3	365.462	2.367	20	30		FEEDHM
COC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)c1cccs1	ZINC000156323218	545616878	/nfs/dbraw/zinc/61/68/78/545616878.db2.gz	YCPMAHAFDGELMV-GFCCVEGCSA-N	-1	3	368.411	2.342	20	30		FEEDHM
C=CCn1c(C)cc(C(=O)CSc2nnc3[n-]c(=O)c(C)nn32)c1C	ZINC000106404192	543229034	/nfs/dbraw/zinc/22/90/34/543229034.db2.gz	GHRAMUDUHNIRAW-UHFFFAOYSA-N	-1	3	358.427	2.113	20	30		FEEDHM
[O-]c1ccccc1/C=N/[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1	ZINC000112497339	543449261	/nfs/dbraw/zinc/44/92/61/543449261.db2.gz	MAOTWCMOTWNDBB-VYVDHXHBSA-N	-1	3	367.453	2.107	20	30		FEEDHM
Cc1nn(C)c(C)c1CC[N-]S(=O)(=O)c1ccc(Cl)cc1C#N	ZINC000156423690	545626807	/nfs/dbraw/zinc/62/68/07/545626807.db2.gz	XARJVPHCXGWWRJ-UHFFFAOYSA-N	-1	3	352.847	2.083	20	30		FEEDHM
CN(CC#N)C(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl	ZINC000120861711	543686060	/nfs/dbraw/zinc/68/60/60/543686060.db2.gz	CGEJMUVIYPLMGK-UHFFFAOYSA-N	-1	3	362.238	2.030	20	30		FEEDHM
C[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CN1C1CC1	ZINC000124010634	543796169	/nfs/dbraw/zinc/79/61/69/543796169.db2.gz	GCABBARAYGEKBL-JQWIXIFHSA-N	-1	3	373.400	2.481	20	30		FEEDHM
CCOC(=O)[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C#N)C1	ZINC000126849702	543959664	/nfs/dbraw/zinc/95/96/64/543959664.db2.gz	KBOAGZCRCFRSJJ-MFKMUULPSA-N	-1	3	356.831	2.222	20	30		FEEDHM
COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@]1(C#N)CCC[C@@H](C)C1	ZINC000130487346	544152993	/nfs/dbraw/zinc/15/29/93/544152993.db2.gz	XZGGFITZEQLFLY-BDJLRTHQSA-N	-1	3	354.403	2.363	20	30		FEEDHM
CN(CCC(=O)Nc1cccc(C#N)c1)Cc1nc2ccsc2c(=O)[n-]1	ZINC000131892383	544211128	/nfs/dbraw/zinc/21/11/28/544211128.db2.gz	GLMHZHCPVNTHEH-UHFFFAOYSA-N	-1	3	367.434	2.317	20	30		FEEDHM
N#Cc1ccc(C(=O)Nc2ccc(C[C@H]3NC(=O)[N-]C3=O)cc2)cc1Cl	ZINC000133895272	544287215	/nfs/dbraw/zinc/28/72/15/544287215.db2.gz	NUOJBNHSBHDKEZ-OAHLLOKOSA-N	-1	3	368.780	2.214	20	30		FEEDHM
CC(C)NC(=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2F)C1	ZINC000151199851	544516507	/nfs/dbraw/zinc/51/65/07/544516507.db2.gz	NUYSTQATFKXABM-KGLIPLIRSA-N	-1	3	367.446	2.059	20	30		FEEDHM
Cc1cccc(C[C@@H](CO)[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c1	ZINC000188378468	328083510	/nfs/dbraw/zinc/08/35/10/328083510.db2.gz	PXZZUBRYGNDAMI-HNNXBMFYSA-N	-1	3	364.854	2.402	20	30		FEEDHM
N#Cc1ccc(C(=O)NCc2ccc(CN3CCC(O)CC3)cc2)cc1[O-]	ZINC000188400748	328084785	/nfs/dbraw/zinc/08/47/85/328084785.db2.gz	XSUFHJQMBQZIRH-UHFFFAOYSA-N	-1	3	365.433	2.151	20	30		FEEDHM
COC(=O)c1cccc(CC[N-]S(=O)(=O)c2ccc(C#N)cc2F)c1	ZINC000092269194	325408567	/nfs/dbraw/zinc/40/85/67/325408567.db2.gz	KXNYSXAMEDKLAP-UHFFFAOYSA-N	-1	3	362.382	2.005	20	30		FEEDHM
N#Cc1ccc(N2CCN(Cc3nc4ccsc4c(=O)[n-]3)CC2)c(F)c1	ZINC000101558589	325471987	/nfs/dbraw/zinc/47/19/87/325471987.db2.gz	CNJBAGUXTCTWES-UHFFFAOYSA-N	-1	3	369.425	2.318	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H](O)c1ccc(Cl)cc1	ZINC000121329509	326330221	/nfs/dbraw/zinc/33/02/21/326330221.db2.gz	LTDLSTSVQNNXRT-QGZVFWFLSA-N	-1	3	373.840	2.299	20	30		FEEDHM
CC[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)c1c(C)nn(C)c1C	ZINC000123220431	326424154	/nfs/dbraw/zinc/42/41/54/326424154.db2.gz	PENPAWKTWWMITK-CQSZACIVSA-N	-1	3	350.419	2.477	20	30		FEEDHM
C[C@@]1(c2cccc(C(=O)Nc3ccc(F)c(C#N)c3)c2)NC(=O)[N-]C1=O	ZINC000132227411	326589200	/nfs/dbraw/zinc/58/92/00/326589200.db2.gz	KTAIQYSUPCPQSZ-SFHVURJKSA-N	-1	3	352.325	2.004	20	30		FEEDHM
CC(C)c1nc2n(n1)CCC[C@H]2[N-]S(=O)(=O)c1ccc(C#N)cc1F	ZINC000157142872	326855896	/nfs/dbraw/zinc/85/58/96/326855896.db2.gz	NWULGDYYTPUTNW-CYBMUJFWSA-N	-1	3	363.418	2.226	20	30		FEEDHM
COC[C@@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1ccc(C)o1	ZINC000173704531	327278088	/nfs/dbraw/zinc/27/80/88/327278088.db2.gz	QJYRPEVEBGBQJK-MRXNPFEDSA-N	-1	3	357.410	2.201	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCc1cc(F)ccc1F	ZINC000177096043	327497520	/nfs/dbraw/zinc/49/75/20/327497520.db2.gz	WYGAFNQHAMNVGE-UHFFFAOYSA-N	-1	3	359.376	2.433	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@H](C(C)(C)C)[C@@H](O)C1	ZINC000272130179	329754317	/nfs/dbraw/zinc/75/43/17/329754317.db2.gz	RZCYFVRTFRUAAF-IRXDYDNUSA-N	-1	3	359.470	2.464	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2CCO)c(C(F)(F)F)c1	ZINC000275194142	330020713	/nfs/dbraw/zinc/02/07/13/330020713.db2.gz	PKFMRZFDDPRQNV-DGCLKSJQSA-N	-1	3	362.373	2.406	20	30		FEEDHM
N#Cc1cc(F)ccc1S(=O)(=O)[N-]CCCn1cnc2ccccc21	ZINC000156200064	545607557	/nfs/dbraw/zinc/60/75/57/545607557.db2.gz	MIBOMKKLFRFTGO-UHFFFAOYSA-N	-1	3	358.398	2.416	20	30		FEEDHM
N#C[C@@H](NC(=O)C[N-]S(=O)(=O)c1cccs1)c1ccccc1Cl	ZINC000172030002	546234096	/nfs/dbraw/zinc/23/40/96/546234096.db2.gz	NWGKPCLWRKUQKS-GFCCVEGCSA-N	-1	3	369.855	2.061	20	30		FEEDHM
C[C@](CO)(C[N-]S(=O)(=O)c1ccc(F)cc1C#N)Cc1ccccc1	ZINC000480868024	561218769	/nfs/dbraw/zinc/21/87/69/561218769.db2.gz	DGJYSKBTRWNCJG-GOSISDBHSA-N	-1	3	362.426	2.217	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-]Cc1c(F)cccc1OC(F)F	ZINC000480980065	561222006	/nfs/dbraw/zinc/22/20/06/561222006.db2.gz	LVEBWTVBGAWQEV-UHFFFAOYSA-N	-1	3	357.313	2.172	20	30		FEEDHM
COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@]1(C#N)CCC[C@@H](C)C1	ZINC000186581836	548154381	/nfs/dbraw/zinc/15/43/81/548154381.db2.gz	LLXHGCCSOFQPRI-QLJPJBMISA-N	-1	3	354.428	2.434	20	30		FEEDHM
C=CC[C@H](CO)[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1	ZINC000186663192	548168758	/nfs/dbraw/zinc/16/87/58/548168758.db2.gz	AHADMUJKROWSEA-MRVPVSSYSA-N	-1	3	354.653	2.318	20	30		FEEDHM
C[C@@H](C#N)C[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1	ZINC000187245860	548253474	/nfs/dbraw/zinc/25/34/74/548253474.db2.gz	SWTNNCZCJCWXQT-RYUDHWBXSA-N	-1	3	358.847	2.193	20	30		FEEDHM
C[C@H](C#N)C[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1	ZINC000187245839	548253742	/nfs/dbraw/zinc/25/37/42/548253742.db2.gz	SWTNNCZCJCWXQT-NEPJUHHUSA-N	-1	3	358.847	2.193	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCSC[C@H](C)C2)ccc1F	ZINC000191566066	548348357	/nfs/dbraw/zinc/34/83/57/548348357.db2.gz	VNRYLVRMGGXANN-GFCCVEGCSA-N	-1	3	372.487	2.115	20	30		FEEDHM
C=CC[C@H](CO)C[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F	ZINC000489717551	561417804	/nfs/dbraw/zinc/41/78/04/561417804.db2.gz	HDFQNAHZVVGVLP-VIFPVBQESA-N	-1	3	357.325	2.187	20	30		FEEDHM
C[C@H](CO[N-]C(=O)c1c(F)cc(C#N)cc1F)NC(=O)OC(C)(C)C	ZINC000273034965	550481882	/nfs/dbraw/zinc/48/18/82/550481882.db2.gz	FHIZLKLWSDKGQD-SECBINFHSA-N	-1	3	355.341	2.411	20	30		FEEDHM
C[C@H]1CCN(C(=O)CCNC(=O)C2N=CC=CC2=O)c2c([O-])cccc21	ZINC000274402339	550536056	/nfs/dbraw/zinc/53/60/56/550536056.db2.gz	SQQJJRNKSSRACM-LCIOQVQZSA-N	-1	3	355.394	2.149	20	30		FEEDHM
CC(C)(C)[C@@](C)(C#N)[N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2	ZINC000274406696	550536274	/nfs/dbraw/zinc/53/62/74/550536274.db2.gz	VXQUVWGMYXGANG-MRXNPFEDSA-N	-1	3	353.419	2.317	20	30		FEEDHM
COC(=O)[C@H]([N-]S(=O)(=O)CCCCC#N)c1ccc(OC)c(Cl)c1	ZINC000274648772	550547700	/nfs/dbraw/zinc/54/77/00/550547700.db2.gz	NFQRBBFVWKVVPX-CQSZACIVSA-N	-1	3	374.846	2.176	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-][C@@H]1CCO[C@H](c2ccc(F)cc2)C1	ZINC000277210533	550643645	/nfs/dbraw/zinc/64/36/45/550643645.db2.gz	QQIXMRZYRPFLRN-ZBFHGGJFSA-N	-1	3	361.398	2.291	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1	ZINC000279465648	550893580	/nfs/dbraw/zinc/89/35/80/550893580.db2.gz	WJOVPAMPUMSTEX-NRKGENKXSA-N	-1	3	373.453	2.003	20	30		FEEDHM
C=CCCCNS(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)c(F)c1	ZINC000279821102	550932782	/nfs/dbraw/zinc/93/27/82/550932782.db2.gz	QMBHJAPQIGZBQD-UHFFFAOYSA-N	-1	3	364.464	2.222	20	30		FEEDHM
C=C(C)[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1c(C)csc1C(=O)OC	ZINC000280491532	550999758	/nfs/dbraw/zinc/99/97/58/550999758.db2.gz	BEDLEKQXHRVHEH-RYUDHWBXSA-N	-1	3	359.469	2.103	20	30		FEEDHM
COc1ccc(S(=O)(=O)[N-]CC2CCC(C#N)CC2)c([N+](=O)[O-])c1	ZINC000282507981	551239172	/nfs/dbraw/zinc/23/91/72/551239172.db2.gz	KVJMZEVAMONFIV-UHFFFAOYSA-N	-1	3	353.400	2.212	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCCc2nn(C)cc21	ZINC000282795253	551271121	/nfs/dbraw/zinc/27/11/21/551271121.db2.gz	MKLKNTAKHPBBLQ-MRXNPFEDSA-N	-1	3	353.426	2.136	20	30		FEEDHM
CCCOc1ccc(/C=N/[C@H]2CCCN(c3nccn(C)c3=O)C2)c([O-])c1	ZINC000285225320	551722964	/nfs/dbraw/zinc/72/29/64/551722964.db2.gz	FRVGUJMSIJJNCD-QPNANDPSSA-N	-1	3	370.453	2.363	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC=C(c2ccnn2C)CC1	ZINC000285814818	551814277	/nfs/dbraw/zinc/81/42/77/551814277.db2.gz	VXTOJKGGROMBGF-UHFFFAOYSA-N	-1	3	365.437	2.258	20	30		FEEDHM
C=CC[C@H](C(=O)N1CCC[C@H]1C[C@@]1(C)NC(=O)[N-]C1=O)c1ccccc1	ZINC000287930393	552064630	/nfs/dbraw/zinc/06/46/30/552064630.db2.gz	QTUCKJLXRQFEGT-TWOQFEAHSA-N	-1	3	355.438	2.326	20	30		FEEDHM
C[C@H](O)C[C@H](C)C[N-]S(=O)(=O)c1cccc(Br)c1C#N	ZINC000288052107	552081447	/nfs/dbraw/zinc/08/14/47/552081447.db2.gz	IPWAUZLOLVGKMO-UWVGGRQHSA-N	-1	3	361.261	2.006	20	30		FEEDHM
C=CCCCCCCNC(=O)N1CCC[C@@H]1C[C@@]1(C)NC(=O)[N-]C1=O	ZINC000288089361	552088952	/nfs/dbraw/zinc/08/89/52/552088952.db2.gz	STOBHUCCPSFINK-RDTXWAMCSA-N	-1	3	350.463	2.285	20	30		FEEDHM
CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C	ZINC000288472132	552159442	/nfs/dbraw/zinc/15/94/42/552159442.db2.gz	OTHCLINCRWEUNR-XFJQVIQYSA-N	-1	3	355.438	2.090	20	30		FEEDHM
C=C(C)[C@H](CC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1)OCC	ZINC000291128636	552590582	/nfs/dbraw/zinc/59/05/82/552590582.db2.gz	NZTDHYIBDWLNGR-STQMWFEESA-N	-1	3	350.381	2.275	20	30		FEEDHM
COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CC[C@@H](CC#N)C2)c(Cl)c1	ZINC000295694701	553045792	/nfs/dbraw/zinc/04/57/92/553045792.db2.gz	JMWZHBZVTBYBAL-JQWIXIFHSA-N	-1	3	356.831	2.487	20	30		FEEDHM
CS(=O)(=O)[N-]c1cncc(C(=O)N[C@@H](CCC#N)c2ccccc2)c1	ZINC000502588112	561621614	/nfs/dbraw/zinc/62/16/14/561621614.db2.gz	OKCFMFFJVHWCAJ-INIZCTEOSA-N	-1	3	358.423	2.228	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc(-n3cncn3)cc2)c(Cl)c1	ZINC000503470007	561642094	/nfs/dbraw/zinc/64/20/94/561642094.db2.gz	NRMVCVLGSBOUOD-UHFFFAOYSA-N	-1	3	373.825	2.271	20	30		FEEDHM
COC(=O)CCCC[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000299276505	553541089	/nfs/dbraw/zinc/54/10/89/553541089.db2.gz	MAOHDAKGGKZNTI-UHFFFAOYSA-N	-1	3	364.345	2.199	20	30		FEEDHM
C=CCN(CCc1ccccc1)S(=O)(=O)c1[n-]ncc1C(=O)OCC	ZINC000299366186	553553818	/nfs/dbraw/zinc/55/38/18/553553818.db2.gz	WLBWMATVBKEXKG-UHFFFAOYSA-N	-1	3	363.439	2.006	20	30		FEEDHM
C=CCN(CCc1ccccc1)S(=O)(=O)c1n[n-]cc1C(=O)OCC	ZINC000299366186	553553819	/nfs/dbraw/zinc/55/38/19/553553819.db2.gz	WLBWMATVBKEXKG-UHFFFAOYSA-N	-1	3	363.439	2.006	20	30		FEEDHM
CCCCCCC[C@@]1(C)NC(=O)N([N-]C(=O)c2ccc3nncn3c2)C1=O	ZINC000299539475	553577893	/nfs/dbraw/zinc/57/78/93/553577893.db2.gz	OEZCTYKHAVYJNZ-GOSISDBHSA-N	-1	3	372.429	2.045	20	30		FEEDHM
O=C(Nc1cccc(C(=O)N2CCc3c(=O)[n-]cnc3C2)c1)[C@@H]1CCCO1	ZINC000328972855	553856197	/nfs/dbraw/zinc/85/61/97/553856197.db2.gz	AKPYDVUWSOZADH-INIZCTEOSA-N	-1	3	368.393	2.148	20	30		FEEDHM
C[C@]1(c2cccc(C(=O)N[C@@H]3CCO[C@@]4(CCOC4)C3)c2)NC(=O)[N-]C1=O	ZINC000329117719	553883616	/nfs/dbraw/zinc/88/36/16/553883616.db2.gz	NZGRHLDUHQJLSU-ZMYBRWDISA-N	-1	3	373.409	2.429	20	30		FEEDHM
C[C@@]1(CNC(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)CCCO1	ZINC000329235016	553908209	/nfs/dbraw/zinc/90/82/09/553908209.db2.gz	IGRMHSXTIOVYRZ-INIZCTEOSA-N	-1	3	371.434	2.161	20	30		FEEDHM
N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@@H]1CCC[C@H]1C#N	ZINC000330667860	554153778	/nfs/dbraw/zinc/15/37/78/554153778.db2.gz	JIAOBMCCHMUGDF-JOYOIKCWSA-N	-1	3	354.229	2.291	20	30		FEEDHM
N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@@H]1CCCC[C@@H]1CO	ZINC000330670822	554154641	/nfs/dbraw/zinc/15/46/41/554154641.db2.gz	BYNFKJCIVOXLDS-ZWNOBZJWSA-N	-1	3	373.272	2.150	20	30		FEEDHM
Cc1ccc([C@@H]2OCCC[C@H]2[N-]S(=O)(=O)c2cccnc2C#N)cc1	ZINC000331447257	554266221	/nfs/dbraw/zinc/26/62/21/554266221.db2.gz	SZSXKHOLTKZNNZ-QAPCUYQASA-N	-1	3	357.435	2.460	20	30		FEEDHM
CN(Cc1nc(-c2ccc([O-])cc2)no1)S(=O)(=O)c1ccc(C#N)cc1	ZINC000350589591	554800877	/nfs/dbraw/zinc/80/08/77/554800877.db2.gz	YZJSYIFREAVJLK-UHFFFAOYSA-N	-1	3	370.390	2.135	20	30		FEEDHM
COc1ccc([O-])c(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)c1	ZINC000361596889	554925920	/nfs/dbraw/zinc/92/59/20/554925920.db2.gz	HTXUEGMOBVZULJ-UHFFFAOYSA-N	-1	3	352.394	2.066	20	30		FEEDHM
Cc1nc([C@H]([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)c2ccccc2)n[nH]1	ZINC000362394448	554969630	/nfs/dbraw/zinc/96/96/30/554969630.db2.gz	CYUIALYVGAEGRS-MRXNPFEDSA-N	-1	3	371.397	2.192	20	30		FEEDHM
N#Cc1ccc([N+](=O)[O-])c(N2CC(S(=O)(=O)[N-]c3ccccc3)C2)c1	ZINC000364087078	555247321	/nfs/dbraw/zinc/24/73/21/555247321.db2.gz	YCWCJWZQSOUUKL-UHFFFAOYSA-N	-1	3	358.379	2.097	20	30		FEEDHM
CCc1ccc(C(=O)N2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)c([O-])c1	ZINC000364383225	555303501	/nfs/dbraw/zinc/30/35/01/555303501.db2.gz	ICFNBGYNAOUSLD-QKKBWIMNSA-N	-1	3	361.401	2.440	20	30		FEEDHM
N#Cc1cccc(CS(=O)(=O)[N-]Cc2noc(-c3ccccc3F)n2)c1	ZINC000365309159	555538469	/nfs/dbraw/zinc/53/84/69/555538469.db2.gz	JCFLYBZPCSJSCC-UHFFFAOYSA-N	-1	3	372.381	2.367	20	30		FEEDHM
CCc1cc(C(=O)N2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)ccc1[O-]	ZINC000365888179	555692844	/nfs/dbraw/zinc/69/28/44/555692844.db2.gz	KRYPMACPPFMQSX-BTYIYWSLSA-N	-1	3	361.401	2.440	20	30		FEEDHM
COc1ncccc1C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000515713257	562020094	/nfs/dbraw/zinc/02/00/94/562020094.db2.gz	LWQDWHKXIAVFDE-UHFFFAOYSA-N	-1	3	371.340	2.459	20	30		FEEDHM
CC(C)n1cc(C#N)c(=NC(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2C)[n-]1	ZINC000375453307	558029935	/nfs/dbraw/zinc/02/99/35/558029935.db2.gz	OMMUJDLASAJOAB-CRAIPNDOSA-N	-1	3	351.454	3.042	20	30		FEEDHM
C=CCn1c(=O)[n-]nc1S(=O)(=O)[C@@H](C)c1ncc(-c2ccccc2)o1	ZINC000376755557	558217572	/nfs/dbraw/zinc/21/75/72/558217572.db2.gz	ADMNYNXFTHOLFQ-NSHDSACASA-N	-1	3	360.395	2.360	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]CCc2cn3c(n2)CCCC3)c(Cl)c1	ZINC000378592739	558590855	/nfs/dbraw/zinc/59/08/55/558590855.db2.gz	CZLWPZKIDSEBEE-UHFFFAOYSA-N	-1	3	364.858	2.265	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]CC2(O)Cc3ccccc3C2)c(Cl)c1	ZINC000378610833	558593358	/nfs/dbraw/zinc/59/33/58/558593358.db2.gz	WOGAZQWNBMWZOC-UHFFFAOYSA-N	-1	3	362.838	2.020	20	30		FEEDHM
C=CCCC[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC	ZINC000398051776	558626322	/nfs/dbraw/zinc/62/63/22/558626322.db2.gz	AZAXZVPGSJOCSB-NSHDSACASA-N	-1	3	356.400	2.405	20	30		FEEDHM
O=C([N-][C@H](c1cccc(F)c1F)C(F)(F)F)C(=O)NC(CF)CF	ZINC000411570001	558919712	/nfs/dbraw/zinc/91/97/12/558919712.db2.gz	NSCHGHZXPZSTFZ-SNVBAGLBSA-N	-1	3	360.229	2.108	20	30		FEEDHM
O=C([N-][C@@H](c1c(F)cccc1F)C(F)(F)F)C(=O)NC(CF)CF	ZINC000411571762	558919852	/nfs/dbraw/zinc/91/98/52/558919852.db2.gz	QOIXYVSUVUKOOE-JTQLQIEISA-N	-1	3	360.229	2.108	20	30		FEEDHM
C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2cc(Br)ccc2C#N)CCO1	ZINC000416456565	559314261	/nfs/dbraw/zinc/31/42/61/559314261.db2.gz	WGBNXZFBPIXPNG-GHMZBOCLSA-N	-1	3	373.272	2.414	20	30		FEEDHM
C[C@@H](CCCO)C[N-]S(=O)(=O)c1cc(Br)ccc1C#N	ZINC000416492553	559317276	/nfs/dbraw/zinc/31/72/76/559317276.db2.gz	DLHCWHLZMJXGAY-JTQLQIEISA-N	-1	3	361.261	2.008	20	30		FEEDHM
CC(C)(C)c1nc(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)n[nH]1	ZINC000416544854	559320819	/nfs/dbraw/zinc/32/08/19/559320819.db2.gz	PPFYPJOTJHPEIN-UHFFFAOYSA-N	-1	3	353.835	2.106	20	30		FEEDHM
C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cccc(Br)c2C#N)CS1	ZINC000416602815	559324480	/nfs/dbraw/zinc/32/44/80/559324480.db2.gz	XHVFXPWJRHQLQH-BDAKNGLRSA-N	-1	3	361.286	2.493	20	30		FEEDHM
COC(=O)[C@H](CNc1nnc(C)c(C)c1C#N)Cc1ccc([O-])c(F)c1	ZINC000420640954	559494810	/nfs/dbraw/zinc/49/48/10/559494810.db2.gz	TZGNIABDLNFFSC-ZDUSSCGKSA-N	-1	3	358.373	2.254	20	30		FEEDHM
COC(=O)c1ccc(CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)s1	ZINC000421696954	559549618	/nfs/dbraw/zinc/54/96/18/559549618.db2.gz	AGWSLIVUBVXKOJ-UHFFFAOYSA-N	-1	3	373.434	2.373	20	30		FEEDHM
C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(Br)ccc1F	ZINC000425178152	559689679	/nfs/dbraw/zinc/68/96/79/559689679.db2.gz	JTGIPSBPSOXFJG-CABZTGNLSA-N	-1	3	364.236	2.458	20	30		FEEDHM
COC(=O)c1cnc([C@@H](C)[N-]S(=O)(=O)CC2(C#N)CCCCC2)s1	ZINC000425198379	559690572	/nfs/dbraw/zinc/69/05/72/559690572.db2.gz	DKNIMTXVAKOIFS-LLVKDONJSA-N	-1	3	371.484	2.384	20	30		FEEDHM
COC(=O)c1cnc([C@H](C)[N-]S(=O)(=O)c2cc(C#N)ccc2C)s1	ZINC000425205814	559691161	/nfs/dbraw/zinc/69/11/61/559691161.db2.gz	PBYZCHSYCSHIHJ-JTQLQIEISA-N	-1	3	365.436	2.149	20	30		FEEDHM
COc1ccc(C[N-]S(=O)(=O)c2cccnc2C#N)c(C(F)(F)F)c1	ZINC000428246620	559772192	/nfs/dbraw/zinc/77/21/92/559772192.db2.gz	ROSHJORLJZQPBD-UHFFFAOYSA-N	-1	3	371.340	2.459	20	30		FEEDHM
COC(=O)c1cc([N-]C(=O)c2ncc(C#N)cc2Cl)cc(C(=O)OC)c1	ZINC000431576912	559841749	/nfs/dbraw/zinc/84/17/49/559841749.db2.gz	VYHGOPOUBOSVMR-UHFFFAOYSA-N	-1	3	373.752	2.432	20	30		FEEDHM
CC1(C)CCCN(C(=O)CC[N-]S(=O)(=O)c2ccccc2F)[C@H]1C#N	ZINC000434436579	559900318	/nfs/dbraw/zinc/90/03/18/559900318.db2.gz	ITBUWLOYKAVMBW-HNNXBMFYSA-N	-1	3	367.446	2.035	20	30		FEEDHM
C[C@@](CO)(C[N-]S(=O)(=O)c1ccc(C#N)s1)Cc1ccccc1	ZINC000435425245	559922581	/nfs/dbraw/zinc/92/25/81/559922581.db2.gz	CARSHVJCLUGLSR-INIZCTEOSA-N	-1	3	350.465	2.139	20	30		FEEDHM
CC(C)([N-]S(=O)(=O)c1ccc(C#N)s1)C(=O)NCC1CCCCC1	ZINC000435432340	559922850	/nfs/dbraw/zinc/92/28/50/559922850.db2.gz	IKEJXBYUPQOIGS-UHFFFAOYSA-N	-1	3	369.512	2.373	20	30		FEEDHM
C=C(C)CS(=O)(=O)[N-][C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O	ZINC000435434106	559922942	/nfs/dbraw/zinc/92/29/42/559922942.db2.gz	QNEXFVSVCXMKRL-GFCCVEGCSA-N	-1	3	362.373	2.306	20	30		FEEDHM
CN(C)CCOc1ccc([N-]S(=O)(=O)c2ccc(C#N)s2)cc1	ZINC000435501935	559924341	/nfs/dbraw/zinc/92/43/41/559924341.db2.gz	OKEPSHJWPLUDJR-UHFFFAOYSA-N	-1	3	351.453	2.361	20	30		FEEDHM
CC#CCNC(=O)c1cc(CN2C(=O)c3ccccc3C2=O)cc(C)c1[O-]	ZINC000436709992	559949544	/nfs/dbraw/zinc/94/95/44/559949544.db2.gz	QEXFBZLNKOFLRR-UHFFFAOYSA-N	-1	3	362.385	2.250	20	30		FEEDHM
N#Cc1cccc(NCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)n1	ZINC000440653239	560015484	/nfs/dbraw/zinc/01/54/84/560015484.db2.gz	IAUFFMGDGRJQMW-UHFFFAOYSA-N	-1	3	354.794	2.136	20	30		FEEDHM
CCOC(=O)CCN(C[C@H]1CCCN1CC)C(=O)c1ccc(C#N)c([O-])c1	ZINC000442937545	560062778	/nfs/dbraw/zinc/06/27/78/560062778.db2.gz	CVXJOGRTFKKZDJ-QGZVFWFLSA-N	-1	3	373.453	2.144	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)C(=O)N1CCCC[C@H]1C	ZINC000443079836	560069912	/nfs/dbraw/zinc/06/99/12/560069912.db2.gz	RRXJEZHAYBDLCR-NEPJUHHUSA-N	-1	3	369.874	2.279	20	30		FEEDHM
N#Cc1ccccc1S(=O)(=O)[N-][C@H](Cc1ccccc1)[C@@H](O)C(F)F	ZINC000443218885	560074981	/nfs/dbraw/zinc/07/49/81/560074981.db2.gz	UPVKBGVMKSHYLG-GDBMZVCRSA-N	-1	3	366.389	2.074	20	30		FEEDHM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H]1CCc2c1cccc2O	ZINC000443216882	560074991	/nfs/dbraw/zinc/07/49/91/560074991.db2.gz	OQVMJGSCGMBFCG-ZDUSSCGKSA-N	-1	3	359.363	2.138	20	30		FEEDHM
N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H](CO)c1cccc(F)c1	ZINC000443264193	560076829	/nfs/dbraw/zinc/07/68/29/560076829.db2.gz	OHJITBDTEYRTOP-AWEZNQCLSA-N	-1	3	354.790	2.363	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)CC1(CC#N)CC1)c1nc(Cc2ccccc2)no1	ZINC000451295270	560298612	/nfs/dbraw/zinc/29/86/12/560298612.db2.gz	ZHSYMNUEBBBGTB-ZDUSSCGKSA-N	-1	3	360.439	2.335	20	30		FEEDHM
COC[C@H](C[N-]S(=O)(=O)c1cccnc1C#N)c1ccc(Cl)cc1	ZINC000451817275	560330364	/nfs/dbraw/zinc/33/03/64/560330364.db2.gz	ZCHFPZOHTAZQHI-ZDUSSCGKSA-N	-1	3	365.842	2.315	20	30		FEEDHM
CC[C@H]1CCCCN1CC[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000467162779	560905231	/nfs/dbraw/zinc/90/52/31/560905231.db2.gz	ZUZMKXSZWBGILI-ZDUSSCGKSA-N	-1	3	357.426	2.379	20	30		FEEDHM
C=CCN(C(=O)CCCc1ccc([O-])c(F)c1)[C@@H]1CCS(=O)(=O)C1	ZINC000468656701	560935200	/nfs/dbraw/zinc/93/52/00/560935200.db2.gz	ZAADRLOHDHHLGO-CQSZACIVSA-N	-1	3	355.431	2.056	20	30		FEEDHM
C=CCn1c(=O)[n-]nc1S[C@@H](C)C(=O)NC(=O)Nc1ccccc1F	ZINC000470829173	560991076	/nfs/dbraw/zinc/99/10/76/560991076.db2.gz	BQOALBNXZVSZJU-VIFPVBQESA-N	-1	3	365.390	2.138	20	30		FEEDHM
CS(=O)(=O)[N-]c1cc(C(=O)N[C@@H](C#N)C2CC2)cc(C(F)(F)F)c1	ZINC000472089338	561017619	/nfs/dbraw/zinc/01/76/19/561017619.db2.gz	UCGOVLMYIUEBIT-LBPRGKRZSA-N	-1	3	361.345	2.109	20	30		FEEDHM
C[C@H]1CCN(Cc2ccccc2)C[C@H]1[N-]S(=O)(=O)c1cccnc1C#N	ZINC000528529175	562334163	/nfs/dbraw/zinc/33/41/63/562334163.db2.gz	GWVXGMOPCWXANE-MAUKXSAKSA-N	-1	3	370.478	2.142	20	30		FEEDHM
Cc1noc(C)c1S(=O)(=O)[N-]C1(c2ccc(C#N)cc2)CCOCC1	ZINC000528552368	562335868	/nfs/dbraw/zinc/33/58/68/562335868.db2.gz	KKCMZFAICXQTJS-UHFFFAOYSA-N	-1	3	361.423	2.147	20	30		FEEDHM
CC(C)(C[N-]S(=O)(=O)c1cccc(Cl)c1C#N)C(=O)N1CCCC1	ZINC000528560941	562336461	/nfs/dbraw/zinc/33/64/61/562336461.db2.gz	OFCPAHPNXGVQSG-UHFFFAOYSA-N	-1	3	369.874	2.139	20	30		FEEDHM
COc1ccc(NC(=O)C(C#N)=C([O-])c2cnn(C3CC3)c2)cc1OC	ZINC000528919240	562352778	/nfs/dbraw/zinc/35/27/78/562352778.db2.gz	LNWDCRVLANKJQH-AWEZNQCLSA-N	-1	3	354.366	2.196	20	30		FEEDHM
COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)C1CCCCC1	ZINC000531533540	562448889	/nfs/dbraw/zinc/44/88/89/562448889.db2.gz	NKHIOHXMAGOIHX-OAHLLOKOSA-N	-1	3	354.403	2.098	20	30		FEEDHM
C=CCOc1ccccc1C[N-]S(=O)(=O)c1cc(C(=O)OC)oc1C	ZINC000532854445	562490427	/nfs/dbraw/zinc/49/04/27/562490427.db2.gz	FWFZFLHQOKJSIF-UHFFFAOYSA-N	-1	3	365.407	2.418	20	30		FEEDHM
COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)C1CCCCC1	ZINC000533554799	562512999	/nfs/dbraw/zinc/51/29/99/562512999.db2.gz	VQDKMFQAJPPYGK-OAHLLOKOSA-N	-1	3	354.403	2.098	20	30		FEEDHM
C[C@@H]1CCC[C@](C#N)([N-]S(=O)(=O)c2c(C(F)(F)F)cnn2C)C1	ZINC000601962720	567888065	/nfs/dbraw/zinc/88/80/65/567888065.db2.gz	ONQIYNFHFTXRAH-SKDRFNHKSA-N	-1	3	350.366	2.190	20	30		FEEDHM
COC(=O)[C@@H](N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccc(C#N)cc1	ZINC000736893510	598879242	/nfs/dbraw/zinc/87/92/42/598879242.db2.gz	DSKVMKOVBGAJQG-SJCJKPOMSA-N	-1	3	362.393	2.303	20	30		FEEDHM
COC(=O)[C@@H](N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccc(C#N)cc1	ZINC000736893510	598879244	/nfs/dbraw/zinc/87/92/44/598879244.db2.gz	DSKVMKOVBGAJQG-SJCJKPOMSA-N	-1	3	362.393	2.303	20	30		FEEDHM
C[C@H](Oc1ccc(F)c(F)c1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1	ZINC000736178433	598917709	/nfs/dbraw/zinc/91/77/09/598917709.db2.gz	XPOMESSPLVVYQH-VIFPVBQESA-N	-1	3	370.319	2.423	20	30		FEEDHM
C[C@H](Oc1ccc(F)c(F)c1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1	ZINC000736178433	598917710	/nfs/dbraw/zinc/91/77/10/598917710.db2.gz	XPOMESSPLVVYQH-VIFPVBQESA-N	-1	3	370.319	2.423	20	30		FEEDHM
Clc1ccc2nc(C=NNCc3ccc(-c4nnn[n-]4)cc3)cn2c1	ZINC000822582466	607252897	/nfs/dbraw/zinc/25/28/97/607252897.db2.gz	UPHKHHSOXLKRJG-UHFFFAOYSA-N	-1	3	352.789	2.292	20	30		FEEDHM
Clc1ccc2nc(C=NNCc3ccc(-c4nn[n-]n4)cc3)cn2c1	ZINC000822582466	607252898	/nfs/dbraw/zinc/25/28/98/607252898.db2.gz	UPHKHHSOXLKRJG-UHFFFAOYSA-N	-1	3	352.789	2.292	20	30		FEEDHM
N#Cc1cc(NC(=O)c2cnc(-c3ccccc3)nc2)ccc1-c1nnn[n-]1	ZINC000737709773	598923300	/nfs/dbraw/zinc/92/33/00/598923300.db2.gz	QHRYHTAZNMNJOY-UHFFFAOYSA-N	-1	3	368.360	2.448	20	30		FEEDHM
N#Cc1cc(NC(=O)c2cnc(-c3ccccc3)nc2)ccc1-c1nn[n-]n1	ZINC000737709773	598923302	/nfs/dbraw/zinc/92/33/02/598923302.db2.gz	QHRYHTAZNMNJOY-UHFFFAOYSA-N	-1	3	368.360	2.448	20	30		FEEDHM
COc1ccccc1OCCC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1	ZINC000737152071	598926973	/nfs/dbraw/zinc/92/69/73/598926973.db2.gz	MPSNZSXWKAHLGG-UHFFFAOYSA-N	-1	3	364.365	2.155	20	30		FEEDHM
COc1ccccc1OCCC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1	ZINC000737152071	598926975	/nfs/dbraw/zinc/92/69/75/598926975.db2.gz	MPSNZSXWKAHLGG-UHFFFAOYSA-N	-1	3	364.365	2.155	20	30		FEEDHM
C[C@@H](CC#N)NC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1	ZINC000735963674	598932254	/nfs/dbraw/zinc/93/22/54/598932254.db2.gz	JHRWNPYCSVLDFK-ZDUSSCGKSA-N	-1	3	362.393	2.478	20	30		FEEDHM
C[C@@H](CC#N)NC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1	ZINC000735963674	598932255	/nfs/dbraw/zinc/93/22/55/598932255.db2.gz	JHRWNPYCSVLDFK-ZDUSSCGKSA-N	-1	3	362.393	2.478	20	30		FEEDHM
COc1ccc(OC)c(C(C)=NNCc2ccc(-c3nnn[n-]3)cc2)c1	ZINC000821839281	607255135	/nfs/dbraw/zinc/25/51/35/607255135.db2.gz	SQHUAZQAIKHEBM-UHFFFAOYSA-N	-1	3	352.398	2.398	20	30		FEEDHM
COc1ccc(OC)c(C(C)=NNCc2ccc(-c3nn[n-]n3)cc2)c1	ZINC000821839281	607255136	/nfs/dbraw/zinc/25/51/36/607255136.db2.gz	SQHUAZQAIKHEBM-UHFFFAOYSA-N	-1	3	352.398	2.398	20	30		FEEDHM
C=CC[C@H](NC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1)c1ccncc1	ZINC000735409591	598968902	/nfs/dbraw/zinc/96/89/02/598968902.db2.gz	GMAPMPOXNJPSSP-GUYCJALGSA-N	-1	3	364.409	2.463	20	30		FEEDHM
C=CC[C@H](NC(=O)COc1cccc(-c2nnn[n-]2)c1)c1ccncc1	ZINC000735409500	599033738	/nfs/dbraw/zinc/03/37/38/599033738.db2.gz	FXTCNBOCWWHODD-INIZCTEOSA-N	-1	3	350.382	2.074	20	30		FEEDHM
C=CC[C@H](NC(=O)COc1cccc(-c2nn[n-]n2)c1)c1ccncc1	ZINC000735409500	599033739	/nfs/dbraw/zinc/03/37/39/599033739.db2.gz	FXTCNBOCWWHODD-INIZCTEOSA-N	-1	3	350.382	2.074	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2cccc(-n3cccn3)c2)cc1-c1nnn[n-]1	ZINC000737719444	599114261	/nfs/dbraw/zinc/11/42/61/599114261.db2.gz	QOCYYSYFADQPDC-UHFFFAOYSA-N	-1	3	356.349	2.176	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2cccc(-n3cccn3)c2)cc1-c1nn[n-]n1	ZINC000737719444	599114264	/nfs/dbraw/zinc/11/42/64/599114264.db2.gz	QOCYYSYFADQPDC-UHFFFAOYSA-N	-1	3	356.349	2.176	20	30		FEEDHM
CCn1cc(C=CC(=O)c2cnn(-c3ccc(-c4nn[n-]n4)cc3)c2C)cn1	ZINC000736722083	599156935	/nfs/dbraw/zinc/15/69/35/599156935.db2.gz	MVWRINCKBLCPGG-RUDMXATFSA-N	-1	3	374.408	2.473	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2cccc(Cn3ccnc3)c2)cc1-c1nnn[n-]1	ZINC000737719571	599194830	/nfs/dbraw/zinc/19/48/30/599194830.db2.gz	SLHMBICKTZVZIV-UHFFFAOYSA-N	-1	3	370.376	2.235	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2cccc(Cn3ccnc3)c2)cc1-c1nn[n-]n1	ZINC000737719571	599194831	/nfs/dbraw/zinc/19/48/31/599194831.db2.gz	SLHMBICKTZVZIV-UHFFFAOYSA-N	-1	3	370.376	2.235	20	30		FEEDHM
CC[C@H](C#N)NC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1	ZINC000736310086	598549445	/nfs/dbraw/zinc/54/94/45/598549445.db2.gz	UQNKULAYQIICFP-GFCCVEGCSA-N	-1	3	352.354	2.071	20	30		FEEDHM
N#Cc1ccc(N2CCC[C@H]2C(=O)Oc2ccc(-c3nnn[n-]3)cc2)cc1	ZINC000737719900	598570653	/nfs/dbraw/zinc/57/06/53/598570653.db2.gz	YMDCMEQBLZYHEX-KRWDZBQOSA-N	-1	3	360.377	2.313	20	30		FEEDHM
N#Cc1ccc(N2CCC[C@H]2C(=O)Oc2ccc(-c3nn[n-]n3)cc2)cc1	ZINC000737719900	598570655	/nfs/dbraw/zinc/57/06/55/598570655.db2.gz	YMDCMEQBLZYHEX-KRWDZBQOSA-N	-1	3	360.377	2.313	20	30		FEEDHM
COC(=O)c1ccc(C=CC(=O)c2c(C)n3c(c2-c2nnn[n-]2)CCC3)o1	ZINC000736951777	598638825	/nfs/dbraw/zinc/63/88/25/598638825.db2.gz	SGYQSWGUQBGHAO-FNORWQNLSA-N	-1	3	367.365	2.199	20	30		FEEDHM
COC(=O)c1ccc(C=CC(=O)c2c(C)n3c(c2-c2nn[n-]n2)CCC3)o1	ZINC000736951777	598638826	/nfs/dbraw/zinc/63/88/26/598638826.db2.gz	SGYQSWGUQBGHAO-FNORWQNLSA-N	-1	3	367.365	2.199	20	30		FEEDHM
CC(C)CN(CCC#N)S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1	ZINC000735827146	598723735	/nfs/dbraw/zinc/72/37/35/598723735.db2.gz	GTMSWOOAXNARIB-UHFFFAOYSA-N	-1	3	368.850	2.080	20	30		FEEDHM
CC(C)CN(CCC#N)S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1	ZINC000735827146	598723736	/nfs/dbraw/zinc/72/37/36/598723736.db2.gz	GTMSWOOAXNARIB-UHFFFAOYSA-N	-1	3	368.850	2.080	20	30		FEEDHM
C[C@H](CC#N)N(C)C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1	ZINC000735963340	598753059	/nfs/dbraw/zinc/75/30/59/598753059.db2.gz	DQFZYEWRKKERCY-GFCCVEGCSA-N	-1	3	366.381	2.413	20	30		FEEDHM
C=CCOCC(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1	ZINC000735437433	598816784	/nfs/dbraw/zinc/81/67/84/598816784.db2.gz	IPQRMBUHAGVXMC-UHFFFAOYSA-N	-1	3	356.411	2.055	20	30		FEEDHM
C=CCOCC(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1	ZINC000735437433	598816785	/nfs/dbraw/zinc/81/67/85/598816785.db2.gz	IPQRMBUHAGVXMC-UHFFFAOYSA-N	-1	3	356.411	2.055	20	30		FEEDHM
CC(C)CN(CCC#N)Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1	ZINC000820087643	599575127	/nfs/dbraw/zinc/57/51/27/599575127.db2.gz	VDDDESQBFGTXBC-UHFFFAOYSA-N	-1	3	352.402	2.288	20	30		FEEDHM
CC(C)CN(CCC#N)Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1	ZINC000820087643	599575129	/nfs/dbraw/zinc/57/51/29/599575129.db2.gz	VDDDESQBFGTXBC-UHFFFAOYSA-N	-1	3	352.402	2.288	20	30		FEEDHM
CS(=O)(=O)Cc1ccccc1CN[C@@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000832681995	601381056	/nfs/dbraw/zinc/38/10/56/601381056.db2.gz	NWUIJMMGQFWRCA-QGZVFWFLSA-N	-1	3	358.419	2.018	20	30		FEEDHM
COCc1cccc(CSc2nc(N)c(-c3nnn[n-]3)cc2C#N)c1	ZINC000826164789	607530855	/nfs/dbraw/zinc/53/08/55/607530855.db2.gz	QHSJTXFUSLALAF-UHFFFAOYSA-N	-1	3	353.411	2.154	20	30		FEEDHM
COCc1cccc(CSc2nc(N)c(-c3nn[n-]n3)cc2C#N)c1	ZINC000826164789	607530856	/nfs/dbraw/zinc/53/08/56/607530856.db2.gz	QHSJTXFUSLALAF-UHFFFAOYSA-N	-1	3	353.411	2.154	20	30		FEEDHM
C[C@H]1CN(C(=O)[O-])CCN1CC(=O)C(C#N)c1nc2ccccc2s1	ZINC000739158477	602737987	/nfs/dbraw/zinc/73/79/87/602737987.db2.gz	BJRRJLLRUQGTLE-NWDGAFQWSA-N	-1	3	358.423	2.157	20	30		FEEDHM
Cc1cccc(S(=O)(=O)N(CCC#N)CCC(C)C)c1-c1nnn[n-]1	ZINC000826300839	607609181	/nfs/dbraw/zinc/60/91/81/607609181.db2.gz	IHJYSTYLSPZSGS-UHFFFAOYSA-N	-1	3	362.459	2.126	20	30		FEEDHM
Cc1cccc(S(=O)(=O)N(CCC#N)CCC(C)C)c1-c1nn[n-]n1	ZINC000826300839	607609183	/nfs/dbraw/zinc/60/91/83/607609183.db2.gz	IHJYSTYLSPZSGS-UHFFFAOYSA-N	-1	3	362.459	2.126	20	30		FEEDHM
C[C@@H](C(=O)[O-])[C@@H](NCCS(=O)(=O)c1cccc(C#N)c1)c1ccccc1	ZINC000833408868	604481816	/nfs/dbraw/zinc/48/18/16/604481816.db2.gz	XPXHCCRGYITQED-RDTXWAMCSA-N	-1	3	372.446	2.384	20	30		FEEDHM
COc1ncc(CSc2nc(N)c(-c3nnn[n-]3)cc2C#N)cc1Cl	ZINC000826221995	607710310	/nfs/dbraw/zinc/71/03/10/607710310.db2.gz	DEMBVLFJVOPNFC-UHFFFAOYSA-N	-1	3	374.817	2.065	20	30		FEEDHM
COc1ncc(CSc2nc(N)c(-c3nn[n-]n3)cc2C#N)cc1Cl	ZINC000826221995	607710313	/nfs/dbraw/zinc/71/03/13/607710313.db2.gz	DEMBVLFJVOPNFC-UHFFFAOYSA-N	-1	3	374.817	2.065	20	30		FEEDHM
N#C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1cccc(Cl)c1Cl	ZINC000826379806	607733877	/nfs/dbraw/zinc/73/38/77/607733877.db2.gz	CBCAZJGJHKYPBN-NSHDSACASA-N	-1	3	362.180	2.496	20	30		FEEDHM
N#C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1cccc(Cl)c1Cl	ZINC000826379806	607733878	/nfs/dbraw/zinc/73/38/78/607733878.db2.gz	CBCAZJGJHKYPBN-NSHDSACASA-N	-1	3	362.180	2.496	20	30		FEEDHM
N#C[C@H](OC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1)C1CC1	ZINC000822800934	606206063	/nfs/dbraw/zinc/20/60/63/606206063.db2.gz	BAFWJNUYIUAULR-INIZCTEOSA-N	-1	3	365.349	2.498	20	30		FEEDHM
N#C[C@H](OC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1)C1CC1	ZINC000822800934	606206065	/nfs/dbraw/zinc/20/60/65/606206065.db2.gz	BAFWJNUYIUAULR-INIZCTEOSA-N	-1	3	365.349	2.498	20	30		FEEDHM
C#Cc1cccc(N[C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)c1	ZINC000819709574	606244242	/nfs/dbraw/zinc/24/42/42/606244242.db2.gz	JWYAZCZUBBZJMY-AWEZNQCLSA-N	-1	3	350.407	2.127	20	30		FEEDHM
C#Cc1cccc(N[C@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)c1	ZINC000819709574	606244244	/nfs/dbraw/zinc/24/42/44/606244244.db2.gz	JWYAZCZUBBZJMY-AWEZNQCLSA-N	-1	3	350.407	2.127	20	30		FEEDHM
C#CCOc1ccccc1CNC(=O)Nc1ccc(F)cc1-c1nnn[n-]1	ZINC000819710132	606355006	/nfs/dbraw/zinc/35/50/06/606355006.db2.gz	WYKKPAOTKUSIKT-UHFFFAOYSA-N	-1	3	366.356	2.340	20	30		FEEDHM
C#CCOc1ccccc1CNC(=O)Nc1ccc(F)cc1-c1nn[n-]n1	ZINC000819710132	606355008	/nfs/dbraw/zinc/35/50/08/606355008.db2.gz	WYKKPAOTKUSIKT-UHFFFAOYSA-N	-1	3	366.356	2.340	20	30		FEEDHM
N#Cc1ccc(OCCNC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1	ZINC000822833407	606358128	/nfs/dbraw/zinc/35/81/28/606358128.db2.gz	QCMAXFJVFZZIDH-UHFFFAOYSA-N	-1	3	367.344	2.078	20	30		FEEDHM
N#Cc1ccc(OCCNC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc1	ZINC000822833407	606358129	/nfs/dbraw/zinc/35/81/29/606358129.db2.gz	QCMAXFJVFZZIDH-UHFFFAOYSA-N	-1	3	367.344	2.078	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Cc1cccc(C#N)c1	ZINC000819743701	606536917	/nfs/dbraw/zinc/53/69/17/606536917.db2.gz	OUFAYBIFJJGINJ-UHFFFAOYSA-N	-1	3	358.405	2.496	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Cc1cccc(C#N)c1	ZINC000819743701	606536919	/nfs/dbraw/zinc/53/69/19/606536919.db2.gz	OUFAYBIFJJGINJ-UHFFFAOYSA-N	-1	3	358.405	2.496	20	30		FEEDHM
COc1cc(-c2nnn[n-]2)ccc1OC(=O)c1c(F)cc(C#N)cc1F	ZINC000821699512	606665470	/nfs/dbraw/zinc/66/54/70/606665470.db2.gz	STTYNSCZAKGORP-UHFFFAOYSA-N	-1	3	357.276	2.244	20	30		FEEDHM
COc1cc(-c2nn[n-]n2)ccc1OC(=O)c1c(F)cc(C#N)cc1F	ZINC000821699512	606665471	/nfs/dbraw/zinc/66/54/71/606665471.db2.gz	STTYNSCZAKGORP-UHFFFAOYSA-N	-1	3	357.276	2.244	20	30		FEEDHM
N#Cc1cc(F)c(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)c(F)c1	ZINC000822819044	606683785	/nfs/dbraw/zinc/68/37/85/606683785.db2.gz	JUQIYOLKECDTGC-UHFFFAOYSA-N	-1	3	358.283	2.086	20	30		FEEDHM
N#Cc1cc(F)c(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)c(F)c1	ZINC000822819044	606683786	/nfs/dbraw/zinc/68/37/86/606683786.db2.gz	JUQIYOLKECDTGC-UHFFFAOYSA-N	-1	3	358.283	2.086	20	30		FEEDHM
N#Cc1cc(F)c(C(=O)OCCOc2cccc(-c3nnn[n-]3)c2)c(F)c1	ZINC000822818926	606759404	/nfs/dbraw/zinc/75/94/04/606759404.db2.gz	IUTIRJCKVNPPIA-UHFFFAOYSA-N	-1	3	371.303	2.252	20	30		FEEDHM
N#Cc1cc(F)c(C(=O)OCCOc2cccc(-c3nn[n-]n3)c2)c(F)c1	ZINC000822818926	606759406	/nfs/dbraw/zinc/75/94/06/606759406.db2.gz	IUTIRJCKVNPPIA-UHFFFAOYSA-N	-1	3	371.303	2.252	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)Oc2cc(Cl)ccc2-c2nnn[n-]2)cc1	ZINC000822833902	606793503	/nfs/dbraw/zinc/79/35/03/606793503.db2.gz	ZWCMHKCVCILOPY-UHFFFAOYSA-N	-1	3	361.770	2.159	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)Oc2cc(Cl)ccc2-c2nn[n-]n2)cc1	ZINC000822833902	606793505	/nfs/dbraw/zinc/79/35/05/606793505.db2.gz	ZWCMHKCVCILOPY-UHFFFAOYSA-N	-1	3	361.770	2.159	20	30		FEEDHM
N#CCN1CCC(Nc2ccc(C(F)(F)F)cc2-c2nnn[n-]2)CC1	ZINC000822810509	606934965	/nfs/dbraw/zinc/93/49/65/606934965.db2.gz	JSXJEUSPCQJGST-UHFFFAOYSA-N	-1	3	351.336	2.285	20	30		FEEDHM
N#CCN1CCC(Nc2ccc(C(F)(F)F)cc2-c2nn[n-]n2)CC1	ZINC000822810509	606934966	/nfs/dbraw/zinc/93/49/66/606934966.db2.gz	JSXJEUSPCQJGST-UHFFFAOYSA-N	-1	3	351.336	2.285	20	30		FEEDHM
C=CCC(CC=C)C(=O)OCC(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1	ZINC000819734471	607004455	/nfs/dbraw/zinc/00/44/55/607004455.db2.gz	OUMGBUPSSMXDBV-UHFFFAOYSA-N	-1	3	359.386	2.327	20	30		FEEDHM
N#Cc1cccc(SCCS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c1	ZINC000826387174	607817145	/nfs/dbraw/zinc/81/71/45/607817145.db2.gz	JKDNWBKAUILMGR-UHFFFAOYSA-N	-1	3	371.447	2.304	20	30		FEEDHM
N#Cc1cccc(SCCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c1	ZINC000826387174	607817146	/nfs/dbraw/zinc/81/71/46/607817146.db2.gz	JKDNWBKAUILMGR-UHFFFAOYSA-N	-1	3	371.447	2.304	20	30		FEEDHM
CCOc1cc(-c2nnn[n-]2)ccc1OC[C@H](O)c1ccc(C#N)cc1	ZINC000825609487	607871773	/nfs/dbraw/zinc/87/17/73/607871773.db2.gz	NNLYULXFKXNZJA-HNNXBMFYSA-N	-1	3	351.366	2.249	20	30		FEEDHM
CCOc1cc(-c2nn[n-]n2)ccc1OC[C@H](O)c1ccc(C#N)cc1	ZINC000825609487	607871774	/nfs/dbraw/zinc/87/17/74/607871774.db2.gz	NNLYULXFKXNZJA-HNNXBMFYSA-N	-1	3	351.366	2.249	20	30		FEEDHM
C=C(C)[C@H](CC(=O)OCc1cccc(C(=O)OC)c1-c1nnn[n-]1)OCC	ZINC000823874784	607920528	/nfs/dbraw/zinc/92/05/28/607920528.db2.gz	YVNOBRHUZPWRJP-AWEZNQCLSA-N	-1	3	374.397	2.068	20	30		FEEDHM
C=C(C)[C@H](CC(=O)OCc1cccc(C(=O)OC)c1-c1nn[n-]n1)OCC	ZINC000823874784	607920529	/nfs/dbraw/zinc/92/05/29/607920529.db2.gz	YVNOBRHUZPWRJP-AWEZNQCLSA-N	-1	3	374.397	2.068	20	30		FEEDHM
CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)c1cc(C#N)cs1	ZINC000825792985	608177347	/nfs/dbraw/zinc/17/73/47/608177347.db2.gz	ICNUFFRGXQRFPD-UHFFFAOYSA-N	-1	3	364.394	2.422	20	30		FEEDHM
CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)c1cc(C#N)cs1	ZINC000825792985	608177351	/nfs/dbraw/zinc/17/73/51/608177351.db2.gz	ICNUFFRGXQRFPD-UHFFFAOYSA-N	-1	3	364.394	2.422	20	30		FEEDHM
COc1cc(-c2nnn[n-]2)ccc1COC(=O)c1c(F)cc(C#N)cc1F	ZINC000826172035	608363833	/nfs/dbraw/zinc/36/38/33/608363833.db2.gz	JXTVNEGFIIBNFY-UHFFFAOYSA-N	-1	3	371.303	2.382	20	30		FEEDHM
COc1cc(-c2nn[n-]n2)ccc1COC(=O)c1c(F)cc(C#N)cc1F	ZINC000826172035	608363835	/nfs/dbraw/zinc/36/38/35/608363835.db2.gz	JXTVNEGFIIBNFY-UHFFFAOYSA-N	-1	3	371.303	2.382	20	30		FEEDHM
FC(F)(F)CN1CCC(N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)CC1	ZINC000826367813	608539873	/nfs/dbraw/zinc/53/98/73/608539873.db2.gz	PNIYIACSXQXFBL-UHFFFAOYSA-N	-1	3	374.758	2.341	20	30		FEEDHM
FC(F)(F)CN1CCC(N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)CC1	ZINC000826367813	608539875	/nfs/dbraw/zinc/53/98/75/608539875.db2.gz	PNIYIACSXQXFBL-UHFFFAOYSA-N	-1	3	374.758	2.341	20	30		FEEDHM
CC(N=Nc1nc(-c2ccncc2)no1)c1ccc(-c2nnn[n-]2)c(F)c1	ZINC000823962093	609159526	/nfs/dbraw/zinc/15/95/26/609159526.db2.gz	DTYRGYIEZCXTDH-UHFFFAOYSA-N	-1	3	365.332	2.287	20	30		FEEDHM
CC(N=Nc1nc(-c2ccncc2)no1)c1ccc(-c2nn[n-]n2)c(F)c1	ZINC000823962093	609159528	/nfs/dbraw/zinc/15/95/28/609159528.db2.gz	DTYRGYIEZCXTDH-UHFFFAOYSA-N	-1	3	365.332	2.287	20	30		FEEDHM
N#Cc1ccc(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)c(F)c1	ZINC000826384198	609274742	/nfs/dbraw/zinc/27/47/42/609274742.db2.gz	KZRHXWMQVAXYQD-HWKANZROSA-N	-1	3	359.324	2.421	20	30		FEEDHM
N#Cc1ccc(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)c(F)c1	ZINC000826384198	609274743	/nfs/dbraw/zinc/27/47/43/609274743.db2.gz	KZRHXWMQVAXYQD-HWKANZROSA-N	-1	3	359.324	2.421	20	30		FEEDHM
N#Cc1c(F)cccc1-n1ccc(NC(=O)c2cccc(-c3nnn[n-]3)c2)n1	ZINC000826383312	609287610	/nfs/dbraw/zinc/28/76/10/609287610.db2.gz	UYVLGVADONHXKS-UHFFFAOYSA-N	-1	3	374.339	2.315	20	30		FEEDHM
N#Cc1c(F)cccc1-n1ccc(NC(=O)c2cccc(-c3nn[n-]n3)c2)n1	ZINC000826383312	609287611	/nfs/dbraw/zinc/28/76/11/609287611.db2.gz	UYVLGVADONHXKS-UHFFFAOYSA-N	-1	3	374.339	2.315	20	30		FEEDHM
C=C(C)CN(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C(F)(F)F	ZINC000823878090	609328584	/nfs/dbraw/zinc/32/85/84/609328584.db2.gz	OFYGGXMZGPTJQK-UHFFFAOYSA-N	-1	3	361.349	2.082	20	30		FEEDHM
C=C(C)CN(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C(F)(F)F	ZINC000823878090	609328586	/nfs/dbraw/zinc/32/85/86/609328586.db2.gz	OFYGGXMZGPTJQK-UHFFFAOYSA-N	-1	3	361.349	2.082	20	30		FEEDHM
C#CCCCCNC(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1	ZINC000823840741	609354376	/nfs/dbraw/zinc/35/43/76/609354376.db2.gz	CZSJVAHEXVOSBL-UHFFFAOYSA-N	-1	3	368.376	2.117	20	30		FEEDHM
C#CCOCCOC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1	ZINC000823856323	609387468	/nfs/dbraw/zinc/38/74/68/609387468.db2.gz	OXZWEYYMGNZKIZ-UHFFFAOYSA-N	-1	3	364.361	2.466	20	30		FEEDHM
C#CCOCCOC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1	ZINC000823856323	609387469	/nfs/dbraw/zinc/38/74/69/609387469.db2.gz	OXZWEYYMGNZKIZ-UHFFFAOYSA-N	-1	3	364.361	2.466	20	30		FEEDHM
CC(C)(C#N)CNC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1	ZINC000824059517	609429721	/nfs/dbraw/zinc/42/97/21/609429721.db2.gz	ZKNPKKPIEJQMBA-UHFFFAOYSA-N	-1	3	363.381	2.334	20	30		FEEDHM
CC(C)(C#N)CNC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1	ZINC000824059517	609429723	/nfs/dbraw/zinc/42/97/23/609429723.db2.gz	ZKNPKKPIEJQMBA-UHFFFAOYSA-N	-1	3	363.381	2.334	20	30		FEEDHM
N#C[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1cccc(Cl)c1Cl	ZINC000826380017	609459388	/nfs/dbraw/zinc/45/93/88/609459388.db2.gz	KHSLGDHXKONMBN-LLVKDONJSA-N	-1	3	362.180	2.496	20	30		FEEDHM
N#C[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1cccc(Cl)c1Cl	ZINC000826380017	609459389	/nfs/dbraw/zinc/45/93/89/609459389.db2.gz	KHSLGDHXKONMBN-LLVKDONJSA-N	-1	3	362.180	2.496	20	30		FEEDHM
CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1cccc(-c2nnn[n-]2)c1	ZINC000824098896	609506412	/nfs/dbraw/zinc/50/64/12/609506412.db2.gz	DRKOYTUFMOEMOD-QGZVFWFLSA-N	-1	3	356.386	2.067	20	30		FEEDHM
CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1cccc(-c2nn[n-]n2)c1	ZINC000824098896	609506414	/nfs/dbraw/zinc/50/64/14/609506414.db2.gz	DRKOYTUFMOEMOD-QGZVFWFLSA-N	-1	3	356.386	2.067	20	30		FEEDHM
N#CCCCNC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1	ZINC000826381396	609515681	/nfs/dbraw/zinc/51/56/81/609515681.db2.gz	KCQQMMTXQWFACH-UHFFFAOYSA-N	-1	3	352.354	2.072	20	30		FEEDHM
N#CCCCNC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1	ZINC000826381396	609515683	/nfs/dbraw/zinc/51/56/83/609515683.db2.gz	KCQQMMTXQWFACH-UHFFFAOYSA-N	-1	3	352.354	2.072	20	30		FEEDHM
C[C@H](C#N)Oc1ccccc1NC(=O)COc1cccc(-c2nnn[n-]2)c1	ZINC000824035523	609624943	/nfs/dbraw/zinc/62/49/43/609624943.db2.gz	ZERQGNVEELPNKG-GFCCVEGCSA-N	-1	3	364.365	2.175	20	30		FEEDHM
C[C@H](C#N)Oc1ccccc1NC(=O)COc1cccc(-c2nn[n-]n2)c1	ZINC000824035523	609624945	/nfs/dbraw/zinc/62/49/45/609624945.db2.gz	ZERQGNVEELPNKG-GFCCVEGCSA-N	-1	3	364.365	2.175	20	30		FEEDHM
Cc1cc(F)c(S(=O)(=O)[N-]CC(=O)c2ccc(C#N)cc2)cc1F	ZINC000560060933	674566066	/nfs/dbraw/zinc/56/60/66/674566066.db2.gz	WMPVWTZKTKVXQE-UHFFFAOYSA-N	-1	3	350.346	2.306	20	30		FEEDHM
C=CCC1(S(=O)(=O)[N-]C(=O)C2CCN(Cc3ccccc3)CC2)CC1	ZINC000810985359	674572540	/nfs/dbraw/zinc/57/25/40/674572540.db2.gz	IWFAYJVMPRMFGS-UHFFFAOYSA-N	-1	3	362.495	2.453	20	30		FEEDHM
CC(C)CN(CC(F)(F)F)C(=O)COC(=O)c1cc([O-])cc(C#N)c1	ZINC000811183925	674586729	/nfs/dbraw/zinc/58/67/29/674586729.db2.gz	BFORNETYYBIISY-UHFFFAOYSA-N	-1	3	358.316	2.468	20	30		FEEDHM
C#C[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)ccc1F)c1ccc(F)cc1	ZINC000812527468	674682985	/nfs/dbraw/zinc/68/29/85/674682985.db2.gz	SDMPWJMFOGEROB-HNNXBMFYSA-N	-1	3	365.357	2.404	20	30		FEEDHM
C#CCONC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O	ZINC000812786752	674697901	/nfs/dbraw/zinc/69/79/01/674697901.db2.gz	QUHLRXQVLMWLIT-UHFFFAOYSA-N	-1	3	355.575	2.239	20	30		FEEDHM
C=CCOCCOC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1	ZINC000815191116	674928098	/nfs/dbraw/zinc/92/80/98/674928098.db2.gz	MYOGZANQDWXEMN-UHFFFAOYSA-N	-1	3	368.386	2.314	20	30		FEEDHM
O=C(N[C@@H]1CCN([O-])C1=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1	ZINC000816690759	675073300	/nfs/dbraw/zinc/07/33/00/675073300.db2.gz	BRGPDUPMXIEJNW-CQSZACIVSA-N	-1	3	350.296	2.491	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)NCCc2ccccc2)ccc1F	ZINC000029057099	670094998	/nfs/dbraw/zinc/09/49/98/670094998.db2.gz	MGRPAEWEGKRFJV-UHFFFAOYSA-N	-1	3	362.426	2.263	20	30		FEEDHM
O=C(CSCc1cc(-c2cccs2)on1)N[C@@H]1CCCN([O-])C1=O	ZINC000816754142	675077699	/nfs/dbraw/zinc/07/76/99/675077699.db2.gz	XTNQLCWXAVOCJC-LLVKDONJSA-N	-1	3	367.452	2.133	20	30		FEEDHM
O=C(N[C@@H]1CCCN([O-])C1=O)c1cc2c(cc(Br)cc2F)[nH]1	ZINC000816755497	675077750	/nfs/dbraw/zinc/07/77/50/675077750.db2.gz	BLRMBCGGJDSRRH-SNVBAGLBSA-N	-1	3	370.178	2.180	20	30		FEEDHM
Cc1ccc(O[C@H](C)C(=O)N[C@@H]2CCCN([O-])C2=O)c(Br)c1	ZINC000816759773	675078466	/nfs/dbraw/zinc/07/84/66/675078466.db2.gz	UQZBPBIEQXRGBF-ZYHUDNBSSA-N	-1	3	371.231	2.021	20	30		FEEDHM
CC(C)Oc1cc([N-]S(=O)(=O)CCC(C)(C)C#N)ccc1C(N)=O	ZINC000569224999	670528540	/nfs/dbraw/zinc/52/85/40/670528540.db2.gz	DMTOFWGHSICPBW-UHFFFAOYSA-N	-1	3	353.444	2.254	20	30		FEEDHM
C=C[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F	ZINC000577341249	671589016	/nfs/dbraw/zinc/58/90/16/671589016.db2.gz	UFLNMMPAURFBPV-ZJUUUORDSA-N	-1	3	355.309	2.346	20	30		FEEDHM
CCOC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)CCC(C)(C)C#N	ZINC000582873053	672041563	/nfs/dbraw/zinc/04/15/63/672041563.db2.gz	LXBGTPTZFROGDI-OAHLLOKOSA-N	-1	3	352.456	2.020	20	30		FEEDHM
C[N-]S(=O)(=O)c1cc(C(=O)OC[C@H](C#N)Cc2cccs2)c(C)o1	ZINC000180076821	672408510	/nfs/dbraw/zinc/40/85/10/672408510.db2.gz	WKIXCXZFCPLFAS-NSHDSACASA-N	-1	3	368.436	2.097	20	30		FEEDHM
C=C(C)CN(C)Cc1nc(=O)c2c(C)c(C(=O)OCCOC)sc2[n-]1	ZINC000181324800	672425294	/nfs/dbraw/zinc/42/52/94/672425294.db2.gz	BXQMAAKDQJLSCD-UHFFFAOYSA-N	-1	3	365.455	2.104	20	30		FEEDHM
Cc1ccc(NC(=O)C[N-]S(=O)(=O)CC2(C#N)CCC2)c(Cl)c1	ZINC000589218115	672514169	/nfs/dbraw/zinc/51/41/69/672514169.db2.gz	RZOUHXPJZJBOGT-UHFFFAOYSA-N	-1	3	355.847	2.200	20	30		FEEDHM
COC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(C#N)c(F)c1)c1cccs1	ZINC000589884774	672544571	/nfs/dbraw/zinc/54/45/71/672544571.db2.gz	ULVUWVQQODNGHT-ZDUSSCGKSA-N	-1	3	368.411	2.342	20	30		FEEDHM
CCN(C[C@H](C)C#N)S(=O)(=O)[N-][C@H](Cc1ccccc1)c1ncco1	ZINC000594487458	673090846	/nfs/dbraw/zinc/09/08/46/673090846.db2.gz	IREGJDFJNNXGCE-GDBMZVCRSA-N	-1	3	362.455	2.274	20	30		FEEDHM
CCNC([S-])=C(C([O-])=C1C=CC(=NC(N)=O)C=C1)[n+]1ccc(C)cc1	ZINC000732177137	673356096	/nfs/dbraw/zinc/35/60/96/673356096.db2.gz	DLDBKCBOSWIYGJ-UHFFFAOYSA-O	-1	3	357.459	2.406	20	30		FEEDHM
CCOC(=O)c1n[n-]c(C2CCN(c3nc(C#N)c(Cl)s3)CC2)n1	ZINC000596213306	673368737	/nfs/dbraw/zinc/36/87/37/673368737.db2.gz	ZLTIFXGRZYJSJB-UHFFFAOYSA-N	-1	3	366.834	2.347	20	30		FEEDHM
Cn1cc(Br)cc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1	ZINC000737601308	673571888	/nfs/dbraw/zinc/57/18/88/673571888.db2.gz	CCXRSJKMIKESKS-UHFFFAOYSA-N	-1	3	372.186	2.092	20	30		FEEDHM
Cn1cc(Br)cc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1	ZINC000737601308	673571889	/nfs/dbraw/zinc/57/18/89/673571889.db2.gz	CCXRSJKMIKESKS-UHFFFAOYSA-N	-1	3	372.186	2.092	20	30		FEEDHM
Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(NS(C)(=O)=O)cc1	ZINC000740810233	673655429	/nfs/dbraw/zinc/65/54/29/673655429.db2.gz	RNPROGXPBZEPMG-UHFFFAOYSA-N	-1	3	365.436	2.039	20	30		FEEDHM
CCCC[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OCCCF	ZINC000741442911	673686948	/nfs/dbraw/zinc/68/69/48/673686948.db2.gz	FXLJREDHPMFGEF-CYBMUJFWSA-N	-1	3	356.419	2.187	20	30		FEEDHM
CC[C@@H]1C[C@H](C)CN1C(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000744764482	673810207	/nfs/dbraw/zinc/81/02/07/673810207.db2.gz	UZJBHVGZDNUYBS-MELADBBJSA-N	-1	3	363.483	2.151	20	30		FEEDHM
O=C1CN(N=Cc2cn(-c3ccccc3)nc2-c2cccs2)C(=O)[N-]1	ZINC000744807252	673811793	/nfs/dbraw/zinc/81/17/93/673811793.db2.gz	RSBORCGWUCIRDT-UHFFFAOYSA-N	-1	3	351.391	2.487	20	30		FEEDHM
Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C=NN1CC(=O)[N-]C1=O	ZINC000744810703	673812100	/nfs/dbraw/zinc/81/21/00/673812100.db2.gz	WEHWMQPNOBVVHT-UHFFFAOYSA-N	-1	3	366.208	2.432	20	30		FEEDHM
CCSc1ccc(CC(=O)N[C@H]2CCN([O-])C2=O)c(Br)c1	ZINC000820126400	675337781	/nfs/dbraw/zinc/33/77/81/675337781.db2.gz	AYKXZEOKMAPERP-LBPRGKRZSA-N	-1	3	373.272	2.210	20	30		FEEDHM
O=C(N[C@@H]1CCN([O-])C1=O)c1sc(-c2ccccc2)nc1C(F)F	ZINC000820148618	675339472	/nfs/dbraw/zinc/33/94/72/675339472.db2.gz	ITNYTIGNSYGDGE-SECBINFHSA-N	-1	3	353.350	2.468	20	30		FEEDHM
Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)N[C@@H]1CCN([O-])C1=O	ZINC000820149934	675339877	/nfs/dbraw/zinc/33/98/77/675339877.db2.gz	UICIZWNDUPJZTC-CYBMUJFWSA-N	-1	3	359.451	2.497	20	30		FEEDHM
CC[C@H](Cc1cccc(Br)c1)C(=O)N[C@H]1CCN([O-])C1=O	ZINC000820157337	675340021	/nfs/dbraw/zinc/34/00/21/675340021.db2.gz	VYGHAIYMYDKMJJ-YPMHNXCESA-N	-1	3	355.232	2.124	20	30		FEEDHM
O=C(N[C@@H]1CCN([O-])C1=O)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1	ZINC000820178759	675341568	/nfs/dbraw/zinc/34/15/68/675341568.db2.gz	AHOMDIFLHDJCTN-OUCADQQQSA-N	-1	3	357.435	2.452	20	30		FEEDHM
O=C(CCc1cc(Cl)ccc1Br)N[C@H]1CCN([O-])C1=O	ZINC000820184743	675342091	/nfs/dbraw/zinc/34/20/91/675342091.db2.gz	DAAWHJXIVPRSCZ-NSHDSACASA-N	-1	3	361.623	2.141	20	30		FEEDHM
C#CC[C@@H]([N-]S(=O)(=O)c1coc(C(=O)N(C)C)c1C)c1ccccc1	ZINC000827388309	675752526	/nfs/dbraw/zinc/75/25/26/675752526.db2.gz	GFUSWFIBRMAAFG-OAHLLOKOSA-N	-1	3	360.435	2.333	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)O[C@H](C(C)=O)C(C)C)ccc1F	ZINC000828696614	675837686	/nfs/dbraw/zinc/83/76/86/675837686.db2.gz	OVAMYXQAMIJMMQ-HNNXBMFYSA-N	-1	3	357.403	2.060	20	30		FEEDHM
CC[C@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2ccc(C#N)cc2F)n[nH]1	ZINC000616980268	676264752	/nfs/dbraw/zinc/26/47/52/676264752.db2.gz	JKHWBAJCKITQRI-UWVGGRQHSA-N	-1	3	351.407	2.368	20	30		FEEDHM
CCCC(=O)Nc1cccc(C[N-]S(=O)(=O)c2cccnc2C#N)c1	ZINC000617465847	676287155	/nfs/dbraw/zinc/28/71/55/676287155.db2.gz	MRLCNLVCUPBYQZ-UHFFFAOYSA-N	-1	3	358.423	2.170	20	30		FEEDHM
N#C[C@]1(F)CCN(C(=O)c2c[n-]c3ccc(Br)cc3c2=O)C1	ZINC000618244090	676327625	/nfs/dbraw/zinc/32/76/25/676327625.db2.gz	DVLYTILZQSYDAO-OAHLLOKOSA-N	-1	3	364.174	2.368	20	30		FEEDHM
Cc1ccc(N2CCC[C@H]([N-]S(=O)(=O)CC3(CC#N)CC3)C2=O)cc1	ZINC000830708031	677056536	/nfs/dbraw/zinc/05/65/36/677056536.db2.gz	MOJKPTFECATEOY-INIZCTEOSA-N	-1	3	361.467	2.104	20	30		FEEDHM
C#C[C@H]([N-]S(=O)(=O)c1cnc(Cl)c(Br)c1)C(C)C	ZINC000831374056	679973677	/nfs/dbraw/zinc/97/36/77/679973677.db2.gz	CHJJWUZUOZPWFB-JTQLQIEISA-N	-1	3	351.653	2.434	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)OCc2nc(C)cs2)ccc1F	ZINC000748800485	679996156	/nfs/dbraw/zinc/99/61/56/679996156.db2.gz	CWQXEYZRYVTIPR-UHFFFAOYSA-N	-1	3	370.427	2.412	20	30		FEEDHM
CS[C@H](C)CCOC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000835666046	680367541	/nfs/dbraw/zinc/36/75/41/680367541.db2.gz	GYYWAXKWZZVBGX-NWDGAFQWSA-N	-1	3	370.496	2.189	20	30		FEEDHM
CSC[C@H](C)COC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000835674425	680367942	/nfs/dbraw/zinc/36/79/42/680367942.db2.gz	GJRUJUKBHFLMOT-NEPJUHHUSA-N	-1	3	370.496	2.046	20	30		FEEDHM
O=S(=O)(c1ccc(N=NCc2ccc([O-])c(F)c2)nc1)N1CCCC1	ZINC000755645359	680426172	/nfs/dbraw/zinc/42/61/72/680426172.db2.gz	OOBCZKSKYIILKL-UHFFFAOYSA-N	-1	3	364.402	2.157	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H]2C[C@H]2C2CC2)ccc1F	ZINC000837113826	680554021	/nfs/dbraw/zinc/55/40/21/680554021.db2.gz	DFFYFYVBJZFISC-KBPBESRZSA-N	-1	3	352.431	2.066	20	30		FEEDHM
CC1(C)CCC[C@H](CNC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)C1	ZINC000837115511	680554468	/nfs/dbraw/zinc/55/44/68/680554468.db2.gz	BRPDNVXTKGEMIS-ZDUSSCGKSA-N	-1	3	363.483	2.058	20	30		FEEDHM
O=C1CN(N=Cc2ccc(N3CCCCC3)c(Br)c2)C(=O)[N-]1	ZINC000841615894	680903693	/nfs/dbraw/zinc/90/36/93/680903693.db2.gz	CVKIXLDMABVSQC-UHFFFAOYSA-N	-1	3	365.231	2.325	20	30		FEEDHM
C[C@@H](CC(=O)N(C)CCC(C)(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000844011674	681030915	/nfs/dbraw/zinc/03/09/15/681030915.db2.gz	ALVGZKWZQSVTDL-ZDUSSCGKSA-N	-1	3	365.499	2.398	20	30		FEEDHM
C#C[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1F)[C@H]1CCCO1	ZINC000773053201	681122701	/nfs/dbraw/zinc/12/27/01/681122701.db2.gz	FDQVPOYGMZCQSM-VXGBXAGGSA-N	-1	3	362.220	2.047	20	30		FEEDHM
C[C@@H](CC(=O)N1CCC12CCCC2)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000846305348	681223435	/nfs/dbraw/zinc/22/34/35/681223435.db2.gz	JMSJASRBLFAITP-ZDUSSCGKSA-N	-1	3	361.467	2.049	20	30		FEEDHM
C=C[C@H](C)O[N-]C(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1	ZINC000846542063	681257380	/nfs/dbraw/zinc/25/73/80/681257380.db2.gz	SQQFRQAAGKBPGS-AWEZNQCLSA-N	-1	3	352.456	2.026	20	30		FEEDHM
C=C[C@H](C)O[N-]C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1	ZINC000846547595	681258088	/nfs/dbraw/zinc/25/80/88/681258088.db2.gz	BACDWRAIBNPYKN-GJZGRUSLSA-N	-1	3	352.456	2.018	20	30		FEEDHM
C=C[C@H](C)O[N-]C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1	ZINC000846547601	681258217	/nfs/dbraw/zinc/25/82/17/681258217.db2.gz	BACDWRAIBNPYKN-LSDHHAIUSA-N	-1	3	352.456	2.018	20	30		FEEDHM
O=C(N[C@@H]1CCCN([O-])C1=O)C1(c2cccc(OC(F)(F)F)c2)CC1	ZINC000848130801	681477548	/nfs/dbraw/zinc/47/75/48/681477548.db2.gz	RNUZZCWWBTVPPJ-GFCCVEGCSA-N	-1	3	358.316	2.113	20	30		FEEDHM
C/C(=C/c1ccc(OC(F)(F)F)cc1)C(=O)N[C@@H]1CCCN([O-])C1=O	ZINC000848131551	681477659	/nfs/dbraw/zinc/47/76/59/681477659.db2.gz	ILNTWBKQOVLTCO-ASCRHOAZSA-N	-1	3	358.316	2.485	20	30		FEEDHM
CCCOc1ccc(C(=O)N[C@H]2CCCN([O-])C2=O)c(OCCC)c1	ZINC000848133685	681478187	/nfs/dbraw/zinc/47/81/87/681478187.db2.gz	FFQJKATXPOPOOZ-HNNXBMFYSA-N	-1	3	350.415	2.374	20	30		FEEDHM
Cc1c(Br)c(C)n([N-]C(=O)C2(F)CCCC2)c(=O)c1C#N	ZINC000848375896	681532596	/nfs/dbraw/zinc/53/25/96/681532596.db2.gz	IVNLTCBSEDGEBR-UHFFFAOYSA-N	-1	3	356.195	2.452	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)OC[C@@H](OC)C2CCC2)ccc1F	ZINC000849679416	681781700	/nfs/dbraw/zinc/78/17/00/681781700.db2.gz	MIPORQKMZHSWAY-OAHLLOKOSA-N	-1	3	371.430	2.262	20	30		FEEDHM
O=C(C[S@](=O)Cc1c(F)c(F)c(F)c(F)c1F)[N-]CC(F)(F)F	ZINC000914521850	685508246	/nfs/dbraw/zinc/50/82/46/685508246.db2.gz	PSMBSILNJFXDFK-HSZRJFAPSA-N	-1	3	369.233	2.309	20	30		FEEDHM
COCCCNC(=S)NN=C(C)c1cc(Br)ccc1[O-]	ZINC000916280050	685523147	/nfs/dbraw/zinc/52/31/47/685523147.db2.gz	UWQUBDATLZNHNC-UHFFFAOYSA-N	-1	3	360.277	2.379	20	30		FEEDHM
C=CCS(=O)(=O)CCNC(=O)c1cc(Cc2ccccc2)ccc1[O-]	ZINC000783616554	682159735	/nfs/dbraw/zinc/15/97/35/682159735.db2.gz	JTWWAVHNCBVNQD-UHFFFAOYSA-N	-1	3	359.447	2.314	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)Cc1csc(C#N)c1)C(=O)OCc1ccccc1	ZINC000916788129	685527712	/nfs/dbraw/zinc/52/77/12/685527712.db2.gz	UHJNNUHVZNIRKS-GFCCVEGCSA-N	-1	3	364.448	2.171	20	30		FEEDHM
Cc1ccc(N(C)C(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1C	ZINC000918656918	685540798	/nfs/dbraw/zinc/54/07/98/685540798.db2.gz	ANOKHXZQPMMFPG-UHFFFAOYSA-N	-1	3	357.435	2.005	20	30		FEEDHM
N#Cc1cc([O-])ccc1-c1ccc(S(=O)(=O)N2CCOCC2)s1	ZINC000854200252	682523868	/nfs/dbraw/zinc/52/38/68/682523868.db2.gz	MKRFSOKVFSWOHL-UHFFFAOYSA-N	-1	3	350.421	2.013	20	30		FEEDHM
Cc1c2cc(C(=O)N[C@H]3CCCN([O-])C3=O)[nH]c2ccc1Br	ZINC000854649053	682575073	/nfs/dbraw/zinc/57/50/73/682575073.db2.gz	PBNXRLXPACZOMJ-LBPRGKRZSA-N	-1	3	366.215	2.349	20	30		FEEDHM
C=CCCCNC(=O)[C@@H](CCCC)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000791056923	682721250	/nfs/dbraw/zinc/72/12/50/682721250.db2.gz	PEGKDCDLIPGPEX-OAHLLOKOSA-N	-1	3	363.483	2.366	20	30		FEEDHM
C=CCCO[N-]C(=O)CCc1ccc(S(=O)(=O)N(CC)CC)cc1	ZINC000856029112	682735893	/nfs/dbraw/zinc/73/58/93/682735893.db2.gz	ABQMEDDDBQAHEA-UHFFFAOYSA-N	-1	3	354.472	2.274	20	30		FEEDHM
O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)OCC#Cc1ccccc1	ZINC000791363187	682738136	/nfs/dbraw/zinc/73/81/36/682738136.db2.gz	HSGNXDPXKRBSDZ-UHFFFAOYSA-N	-1	3	369.851	2.275	20	30		FEEDHM
C#CC[C@H](Cc1ccccc1)OC(=O)c1cc(S(=O)(=O)[N-]C)oc1C	ZINC000793373602	682885652	/nfs/dbraw/zinc/88/56/52/682885652.db2.gz	JDADJWZNCVYPIA-OAHLLOKOSA-N	-1	3	361.419	2.288	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)NCC[C@@H]2CC2(F)F)ccc1F	ZINC000857683211	682904012	/nfs/dbraw/zinc/90/40/12/682904012.db2.gz	BKKGYNIKEBQNNM-LLVKDONJSA-N	-1	3	362.373	2.065	20	30		FEEDHM
CC(C)(C)[C@H]1CCCN(C(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)C1	ZINC000794348683	682959923	/nfs/dbraw/zinc/95/99/23/682959923.db2.gz	RTSPNLFMEZCEHI-ZDUSSCGKSA-N	-1	3	363.483	2.010	20	30		FEEDHM
COCCCON=Cc1cc(I)c([O-])c(OC)c1	ZINC000795041293	683010220	/nfs/dbraw/zinc/01/02/20/683010220.db2.gz	BJQLDJQKFIOGAJ-UHFFFAOYSA-N	-1	3	365.167	2.392	20	30		FEEDHM
C#CC[C@@H](CCOC)NC(=O)NCc1ccc([O-])c(Br)c1	ZINC000859023981	683028370	/nfs/dbraw/zinc/02/83/70/683028370.db2.gz	AOPFFOIBYPDXJO-LBPRGKRZSA-N	-1	3	355.232	2.382	20	30		FEEDHM
CCC(CC)COC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000798894000	683402398	/nfs/dbraw/zinc/40/23/98/683402398.db2.gz	WJQQBJYGZWYKIR-LBPRGKRZSA-N	-1	3	352.456	2.483	20	30		FEEDHM
Cn1cc(S(=O)(=O)[N-]C(C)(C)Cc2ccc(C#N)cc2)nc1Cl	ZINC000921448885	683471967	/nfs/dbraw/zinc/47/19/67/683471967.db2.gz	WQFHPWMOBDEFLY-UHFFFAOYSA-N	-1	3	352.847	2.245	20	30		FEEDHM
Cc1cc(C)[n-]c(=NNS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)n1	ZINC000799913460	683510347	/nfs/dbraw/zinc/51/03/47/683510347.db2.gz	RLHZHJYHYBJPFK-UHFFFAOYSA-N	-1	3	371.344	2.289	20	30		FEEDHM
COc1cc(Br)cc(C)c1NC(=O)N[C@@H]1CCCN([O-])C1=O	ZINC000866108010	684072897	/nfs/dbraw/zinc/07/28/97/684072897.db2.gz	LYXOKKDFPCCVGN-SNVBAGLBSA-N	-1	3	372.219	2.268	20	30		FEEDHM
C#C[C@H]1CC[C@H](NC(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)CC1	ZINC000873296216	685106123	/nfs/dbraw/zinc/10/61/23/685106123.db2.gz	DEVYGUGOJUKJGO-IHRRRGAJSA-N	-1	3	359.392	2.279	20	30		FEEDHM
CSc1cnn(-c2ccccc2)c1NC(=O)N[C@H]1CCCN([O-])C1=O	ZINC000878920563	686690570	/nfs/dbraw/zinc/69/05/70/686690570.db2.gz	RNKYFWDRQGEUIX-LBPRGKRZSA-N	-1	3	361.427	2.096	20	30		FEEDHM
O=C(N[C@H](c1c(F)cccc1F)C(F)(F)F)N[C@H]1CCCN([O-])C1=O	ZINC000879267526	686783385	/nfs/dbraw/zinc/78/33/85/686783385.db2.gz	BXKYFXICMXJHGX-GXSJLCMTSA-N	-1	3	367.274	2.248	20	30		FEEDHM
O=C(Nc1cc2c(cc1Br)CCC2)N[C@@H]1CCCN([O-])C1=O	ZINC000879384015	686811144	/nfs/dbraw/zinc/81/11/44/686811144.db2.gz	JLSCQASIEAZTFG-GFCCVEGCSA-N	-1	3	368.231	2.440	20	30		FEEDHM
O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)OCC[C@@H]1CCCC1(F)F	ZINC000883940124	687763142	/nfs/dbraw/zinc/76/31/42/687763142.db2.gz	KOQFOEYJHGOVOO-NSHDSACASA-N	-1	3	372.393	2.094	20	30		FEEDHM
O=C1[C@H](NCC2=Cc3cc(Br)ccc3OC2)CCCN1[O-]	ZINC000895164088	689669666	/nfs/dbraw/zinc/66/96/66/689669666.db2.gz	BUWGCUMYJVRSEU-CYBMUJFWSA-N	-1	3	353.216	2.195	20	30		FEEDHM
O=C(NCC(F)(C(F)(F)F)C(F)(F)F)c1ccc2c(c1)C(=O)[N-]C2=O	ZINC000899096225	690302976	/nfs/dbraw/zinc/30/29/76/690302976.db2.gz	ROJNWINDSSEIRP-UHFFFAOYSA-N	-1	3	372.196	2.133	20	30		FEEDHM
O=C(c1cccc(S(=O)(=O)NC2CC2)c1)N([O-])Cc1ccc(F)cc1	ZINC000901376879	690641596	/nfs/dbraw/zinc/64/15/96/690641596.db2.gz	ZERRSFAPJLGPST-UHFFFAOYSA-N	-1	3	364.398	2.298	20	30		FEEDHM
COCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N([O-])Cc1ccc(F)cc1	ZINC000904178814	691010134	/nfs/dbraw/zinc/01/01/34/691010134.db2.gz	VINZYFVZUZFCDJ-CQSZACIVSA-N	-1	3	356.394	2.473	20	30		FEEDHM
CS(=O)(=O)N1CCC(CC(=O)N([O-])CCCCc2ccccc2)CC1	ZINC000904196392	691011914	/nfs/dbraw/zinc/01/19/14/691011914.db2.gz	UJLPAKMEDJEKRO-UHFFFAOYSA-N	-1	3	368.499	2.289	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)c1c(C#N)sc2ccccc21)[C@H](O)C(F)(F)F	ZINC000907317069	691450237	/nfs/dbraw/zinc/45/02/37/691450237.db2.gz	TWRDXNRZFWHYHK-MADCSZMMSA-N	-1	3	364.370	2.363	20	30		FEEDHM
CCO[C@]12CCC[C@@]1([N-]S(=O)(=O)c1ccc(C#N)cc1F)CCO2	ZINC000908024287	691601317	/nfs/dbraw/zinc/60/13/17/691601317.db2.gz	MYDIKGWOAUGCCF-CVEARBPZSA-N	-1	3	354.403	2.051	20	30		FEEDHM
C=C(Cl)C[C@@H](NC(=O)NCCCN1CCc2ccccc2C1)C(=O)[O-]	ZINC000908821751	691735834	/nfs/dbraw/zinc/73/58/34/691735834.db2.gz	PSWBARLTNXITDL-MRXNPFEDSA-N	-1	3	365.861	2.330	20	30		FEEDHM
CC(C)[C@](C)(C#N)NC(=O)CN1CCC(C(=O)Nc2ccccc2[O-])CC1	ZINC000015043268	539610023	/nfs/dbraw/zinc/61/00/23/539610023.db2.gz	DWRJWWODPIMVQK-FQEVSTJZSA-N	-1	3	372.469	2.097	20	30		FEEDHM
COc1ccc(OC)c(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1	ZINC000019679268	539664949	/nfs/dbraw/zinc/66/49/49/539664949.db2.gz	ICHLLPGKYDBXNG-UHFFFAOYSA-N	-1	3	355.394	2.452	20	30		FEEDHM
C[C@@H](NC(=O)CC[N-]S(=O)(=O)c1cccs1)c1ccc(C#N)cc1	ZINC000045217814	540207155	/nfs/dbraw/zinc/20/71/55/540207155.db2.gz	YSEKILUACVPUGF-GFCCVEGCSA-N	-1	3	363.464	2.166	20	30		FEEDHM
C[C@H](Nc1ccc(C(=O)N=C2[N-]C(=O)CN2)cc1[N+](=O)[O-])c1ccccn1	ZINC000054100862	540568979	/nfs/dbraw/zinc/56/89/79/540568979.db2.gz	VSEXJWLDKOYUDX-JTQLQIEISA-N	-1	3	368.353	2.219	20	30		FEEDHM
COC(=O)c1cccc(OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1	ZINC000060951446	541124236	/nfs/dbraw/zinc/12/42/36/541124236.db2.gz	VQOPWLPEXPUMLY-UHFFFAOYSA-N	-1	3	354.362	2.188	20	30		FEEDHM
C=CCN(CC(F)(F)F)C(=O)CCn1[n-]c(=O)c2ccccc2c1=O	ZINC000066292098	541299091	/nfs/dbraw/zinc/29/90/91/541299091.db2.gz	IVYMKAHZJNIWLS-UHFFFAOYSA-N	-1	3	355.316	2.069	20	30		FEEDHM
CC1CCC(NS(=O)(=O)CC(=O)Nc2nnc(-c3ccco3)[n-]2)CC1	ZINC000076426812	542277782	/nfs/dbraw/zinc/27/77/82/542277782.db2.gz	BMYBJZUEAUQMNY-UHFFFAOYSA-N	-1	3	367.431	2.151	20	30		FEEDHM
CC1CCC(NS(=O)(=O)CC(=O)Nc2nc(-c3ccco3)n[n-]2)CC1	ZINC000076426812	542277787	/nfs/dbraw/zinc/27/77/87/542277787.db2.gz	BMYBJZUEAUQMNY-UHFFFAOYSA-N	-1	3	367.431	2.151	20	30		FEEDHM
CC1CCC(NS(=O)(=O)CC(=O)Nc2n[n-]c(-c3ccco3)n2)CC1	ZINC000076426812	542277792	/nfs/dbraw/zinc/27/77/92/542277792.db2.gz	BMYBJZUEAUQMNY-UHFFFAOYSA-N	-1	3	367.431	2.151	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1cccc(N(C)C)c1	ZINC000109683163	543334692	/nfs/dbraw/zinc/33/46/92/543334692.db2.gz	OTIOIFMVKPLOAN-UHFFFAOYSA-N	-1	3	352.438	2.178	20	30		FEEDHM
COC(=O)CCOc1ccc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)cc1	ZINC000117537517	543635301	/nfs/dbraw/zinc/63/53/01/543635301.db2.gz	CMMNYNHRLUAZIN-UHFFFAOYSA-N	-1	3	374.418	2.495	20	30		FEEDHM
C=CC[C@@H](C)NC(=O)c1cc(C2CC2)nc2c1c(=O)[n-]c(=O)n2CC(C)C	ZINC000116859401	543618315	/nfs/dbraw/zinc/61/83/15/543618315.db2.gz	ZHNPECJVRPAGOG-GFCCVEGCSA-N	-1	3	370.453	2.313	20	30		FEEDHM
C=CCCS(=O)(=O)[N-]c1cc(Br)ccc1-n1cncn1	ZINC000120141179	543676183	/nfs/dbraw/zinc/67/61/83/543676183.db2.gz	XFHSCHNIZSERNZ-UHFFFAOYSA-N	-1	3	357.233	2.348	20	30		FEEDHM
C=CCCS(=O)(=O)[N-]c1cccc(S(=O)(=O)NCc2ccco2)c1	ZINC000123003450	543736639	/nfs/dbraw/zinc/73/66/39/543736639.db2.gz	IUPRBOPRQYVAEO-UHFFFAOYSA-N	-1	3	370.452	2.076	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2CSC)ccc1F	ZINC000123600871	543772115	/nfs/dbraw/zinc/77/21/15/543772115.db2.gz	OBHALINASCAZMX-CYBMUJFWSA-N	-1	3	372.487	2.258	20	30		FEEDHM
CC(C)[C@@H]1OCCC[C@H]1C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000125507564	543885654	/nfs/dbraw/zinc/88/56/54/543885654.db2.gz	NPWMAXRYOODNLA-LRDDRELGSA-N	-1	3	367.427	2.196	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)[C@H](O)Cc1ccccc1	ZINC000129211114	544097619	/nfs/dbraw/zinc/09/76/19/544097619.db2.gz	NAWFUHFVMSCFGE-BLLLJJGKSA-N	-1	3	364.854	2.482	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)[C@H](O)Cc1ccccc1	ZINC000129213728	544097708	/nfs/dbraw/zinc/09/77/08/544097708.db2.gz	OKRFTQXBHIRLLJ-BLLLJJGKSA-N	-1	3	364.854	2.482	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]Cc2cn3cc(Cl)ccc3n2)c(F)c1	ZINC000151049332	544499376	/nfs/dbraw/zinc/49/93/76/544499376.db2.gz	NDQOUOYTXKXKMX-UHFFFAOYSA-N	-1	3	364.789	2.477	20	30		FEEDHM
CN(C)C[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(C#N)cc1F	ZINC000151091288	544504119	/nfs/dbraw/zinc/50/41/19/544504119.db2.gz	FUDGCMQPUXVYSY-MRXNPFEDSA-N	-1	3	361.442	2.149	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H]3CCC[C@@H]3C2)ccc1F	ZINC000152513768	544664199	/nfs/dbraw/zinc/66/41/99/544664199.db2.gz	PCDARRATUPGPHQ-OKILXGFUSA-N	-1	3	352.431	2.162	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]CCC(=O)NC2CCCCC2)c(Cl)c1	ZINC000183525128	327822566	/nfs/dbraw/zinc/82/25/66/327822566.db2.gz	VUUPLJSOYLPKGF-UHFFFAOYSA-N	-1	3	369.874	2.329	20	30		FEEDHM
Cc1ccc(C[C@@H](CO)[N-]S(=O)(=O)c2cccc(Cl)c2C#N)cc1	ZINC000188357952	328082613	/nfs/dbraw/zinc/08/26/13/328082613.db2.gz	HNRNSGWNJYURAJ-AWEZNQCLSA-N	-1	3	364.854	2.402	20	30		FEEDHM
Cc1ccc(C[C@H](CO)[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)cc1	ZINC000188356315	328082365	/nfs/dbraw/zinc/08/23/65/328082365.db2.gz	HPYQSLXVKJTDBZ-MRXNPFEDSA-N	-1	3	364.854	2.402	20	30		FEEDHM
N#Cc1cc(F)ccc1S(=O)(=O)[N-]Cc1cccc(Cn2ccnc2)c1	ZINC000156426549	326830765	/nfs/dbraw/zinc/83/07/65/326830765.db2.gz	LWJNFSMFRFFNGG-UHFFFAOYSA-N	-1	3	370.409	2.421	20	30		FEEDHM
Cc1nc(C)c(CC[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)s1	ZINC000157380953	326863506	/nfs/dbraw/zinc/86/35/06/326863506.db2.gz	FVCZNFLROMPBLG-UHFFFAOYSA-N	-1	3	366.424	2.061	20	30		FEEDHM
Cc1nn(C)c(Cl)c1COC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C	ZINC000170803687	327099901	/nfs/dbraw/zinc/09/99/01/327099901.db2.gz	DBFRVZXUNKFBAT-UHFFFAOYSA-N	-1	3	362.817	2.235	20	30		FEEDHM
Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(NC(=O)CN(C)C)cc1	ZINC000174328519	327320039	/nfs/dbraw/zinc/32/00/39/327320039.db2.gz	ZKRDQWWZKPWOIU-UHFFFAOYSA-N	-1	3	372.450	2.168	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c(Cl)c1	ZINC000248573252	328726929	/nfs/dbraw/zinc/72/69/29/328726929.db2.gz	OSHOIKGCAFTZRS-NILFDRSVSA-N	-1	3	352.843	2.448	20	30		FEEDHM
Cc1ccc(C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)c([O-])c1C	ZINC000271424640	329692807	/nfs/dbraw/zinc/69/28/07/329692807.db2.gz	PFFKUEMIPBTREI-CYBMUJFWSA-N	-1	3	351.410	2.022	20	30		FEEDHM
C=C(C)CNC(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl	ZINC000554084705	674302823	/nfs/dbraw/zinc/30/28/23/674302823.db2.gz	WHYPEHUQXAMTIE-UHFFFAOYSA-N	-1	3	366.270	2.147	20	30		FEEDHM
N#C[C@H]1CN(Cc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)CCO1	ZINC000155606018	545548444	/nfs/dbraw/zinc/54/84/44/545548444.db2.gz	MVBBCCOMLDAXDU-ZDUSSCGKSA-N	-1	3	352.419	2.376	20	30		FEEDHM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]CCc1cc(F)cc(F)c1	ZINC000156962784	545683785	/nfs/dbraw/zinc/68/37/85/545683785.db2.gz	OKSXCTKTOJMAOL-UHFFFAOYSA-N	-1	3	367.333	2.266	20	30		FEEDHM
CNC(=O)COc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)c(C)c1	ZINC000478683872	561172820	/nfs/dbraw/zinc/17/28/20/561172820.db2.gz	HRJZOWUGZWVKFS-UHFFFAOYSA-N	-1	3	373.434	2.101	20	30		FEEDHM
C=CCNS(=O)(=O)c1ccc(C(=O)Nc2cc(F)ccc2[O-])cc1	ZINC000174879805	546304691	/nfs/dbraw/zinc/30/46/91/546304691.db2.gz	ULEJYCDCJYEVQS-UHFFFAOYSA-N	-1	3	350.371	2.248	20	30		FEEDHM
CC(C)c1nnc(C[N-]S(=O)(=O)Cc2ccc(C#N)cc2F)s1	ZINC000480701933	561214744	/nfs/dbraw/zinc/21/47/44/561214744.db2.gz	VCZJYIFFJQPXEK-UHFFFAOYSA-N	-1	3	354.432	2.292	20	30		FEEDHM
CC1(C)CCC[C@](O)(C[N-]S(=O)(=O)Cc2ccc(C#N)cc2F)C1	ZINC000480687837	561214433	/nfs/dbraw/zinc/21/44/33/561214433.db2.gz	IJMQNTWVAQRKCK-QGZVFWFLSA-N	-1	3	354.447	2.448	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)NCc2ncccc2[O-])cc1C(F)(F)F	ZINC000480747842	561215904	/nfs/dbraw/zinc/21/59/04/561215904.db2.gz	VTVWOBWEEJTXAF-UHFFFAOYSA-N	-1	3	357.313	2.156	20	30		FEEDHM
C=CCOC[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)C(=O)OC	ZINC000481584259	561236747	/nfs/dbraw/zinc/23/67/47/561236747.db2.gz	DVFCDMOASAOHGB-JTQLQIEISA-N	-1	3	368.238	2.016	20	30		FEEDHM
N#Cc1ccc(CN2CCCN(C(=O)/C=C/c3cncc([O-])c3)CC2)cc1	ZINC000179401305	546946239	/nfs/dbraw/zinc/94/62/39/546946239.db2.gz	MERAMINDZXANAL-VOTSOKGWSA-N	-1	3	362.433	2.407	20	30		FEEDHM
Cc1ccc(C(=O)NCCC(=O)N(CCC#N)Cc2ccccn2)c([O-])c1	ZINC000183566355	547682245	/nfs/dbraw/zinc/68/22/45/547682245.db2.gz	ISWVEDVCMPOKCB-UHFFFAOYSA-N	-1	3	366.421	2.158	20	30		FEEDHM
N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CCCOC2CCOCC2)c1	ZINC000184919391	547900094	/nfs/dbraw/zinc/90/00/94/547900094.db2.gz	SEYYYKRMIFWFNB-UHFFFAOYSA-N	-1	3	358.847	2.076	20	30		FEEDHM
N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CCc2ccc3c(c2)OCO3)c1	ZINC000186126851	548088670	/nfs/dbraw/zinc/08/86/70/548088670.db2.gz	LNEDZRVWONOUFS-UHFFFAOYSA-N	-1	3	364.810	2.461	20	30		FEEDHM
COc1cc(C#N)cc(OCC(=O)c2ccc([N-]S(C)(=O)=O)cc2)c1	ZINC000486071518	561337528	/nfs/dbraw/zinc/33/75/28/561337528.db2.gz	SEDKWHOHDIBOOL-UHFFFAOYSA-N	-1	3	360.391	2.200	20	30		FEEDHM
Cc1cccn2c1ncc(C([O-])=C(C#N)c1cnc3ccccc3n1)c2=O	ZINC000190884009	548336038	/nfs/dbraw/zinc/33/60/38/548336038.db2.gz	XWHJXNKGXNVCBE-ZDUSSCGKSA-N	-1	3	355.357	2.436	20	30		FEEDHM
C=CCn1c(=O)c2ccc(C(=O)N3CCC[C@H]3CN(C)C)cc2[n-]c1=S	ZINC000263905294	549953568	/nfs/dbraw/zinc/95/35/68/549953568.db2.gz	FZHHSFGDLNHASE-AWEZNQCLSA-N	-1	3	372.494	2.037	20	30		FEEDHM
COc1cc(OC)c(CC/N=C/c2c([O-])c(C)ncc2CO)c(OC)c1	ZINC000264584919	549998577	/nfs/dbraw/zinc/99/85/77/549998577.db2.gz	YGWPZFNNLQKQAX-KEBDBYFISA-N	-1	3	360.410	2.275	20	30		FEEDHM
C=CC[C@@H](C)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1ccccc1C(F)(F)F	ZINC000265315187	550008681	/nfs/dbraw/zinc/00/86/81/550008681.db2.gz	GKMQOOABIGUCAD-GHMZBOCLSA-N	-1	3	364.389	2.453	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)CCCOC(C)C)ccc1F	ZINC000265822047	550014434	/nfs/dbraw/zinc/01/44/34/550014434.db2.gz	UCJUYPYAXIKACT-UHFFFAOYSA-N	-1	3	372.462	2.177	20	30		FEEDHM
COc1ccccc1-c1noc([C@@H](C)[N-]S(=O)(=O)CCCC#N)n1	ZINC000266260182	550018889	/nfs/dbraw/zinc/01/88/89/550018889.db2.gz	DLPVTPYDQLGXBZ-LLVKDONJSA-N	-1	3	350.400	2.029	20	30		FEEDHM
CCN(CCC#N)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1	ZINC000269623531	550211909	/nfs/dbraw/zinc/21/19/09/550211909.db2.gz	IWRLEEYVXUZQRD-UHFFFAOYSA-N	-1	3	355.435	2.278	20	30		FEEDHM
COC(=O)c1cc(S(=O)(=O)[N-]C2(c3cccc(C#N)c3)CC2)oc1C	ZINC000269724495	550220372	/nfs/dbraw/zinc/22/03/72/550220372.db2.gz	QWMVKIHJIIRCDU-UHFFFAOYSA-N	-1	3	360.391	2.214	20	30		FEEDHM
C[C@@H](CO[N-]C(=O)Cc1ccc(OCC#N)cc1)NC(=O)OC(C)(C)C	ZINC000270963578	550325969	/nfs/dbraw/zinc/32/59/69/550325969.db2.gz	RJRZDXMJXPRDNQ-ZDUSSCGKSA-N	-1	3	363.414	2.092	20	30		FEEDHM
C=CCN(C)S(=O)(=O)c1ccc(NC([O-])=NOC2CCCC2)cc1	ZINC000271814533	550403907	/nfs/dbraw/zinc/40/39/07/550403907.db2.gz	OZPVYEAZTHJICM-UHFFFAOYSA-N	-1	3	353.444	2.489	20	30		FEEDHM
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[N-]OC2CCCC2)cc1	ZINC000271814533	550403908	/nfs/dbraw/zinc/40/39/08/550403908.db2.gz	OZPVYEAZTHJICM-UHFFFAOYSA-N	-1	3	353.444	2.489	20	30		FEEDHM
COc1cc(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)ccc1[O-]	ZINC000272579490	550458896	/nfs/dbraw/zinc/45/88/96/550458896.db2.gz	FEQDPPMOYPONDH-QGZVFWFLSA-N	-1	3	351.406	2.251	20	30		FEEDHM
C[C@H](CO[N-]C(=O)Cc1cccc(OCC#N)c1)NC(=O)OC(C)(C)C	ZINC000273125187	550485998	/nfs/dbraw/zinc/48/59/98/550485998.db2.gz	UATLSJJLNHUPNB-CYBMUJFWSA-N	-1	3	363.414	2.092	20	30		FEEDHM
C=CCCO[C@@H](C)c1nc(-c2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)no1	ZINC000273826766	550512848	/nfs/dbraw/zinc/51/28/48/550512848.db2.gz	VWZZRXFSANABIP-VOJFVSQTSA-N	-1	3	356.382	2.445	20	30		FEEDHM
C=CCOC(=O)c1sc2[n-]c(CCOCCOC)nc(=O)c2c1C	ZINC000276358767	550578145	/nfs/dbraw/zinc/57/81/45/550578145.db2.gz	VKAWBDMOLYNZAJ-UHFFFAOYSA-N	-1	3	352.412	2.254	20	30		FEEDHM
CC[C@H]([N-]S(=O)(=O)c1cccnc1C#N)[C@@H](O)c1c(F)cccc1F	ZINC000276944614	550614137	/nfs/dbraw/zinc/61/41/37/550614137.db2.gz	BCMZPHBRULWZSZ-BLLLJJGKSA-N	-1	3	367.377	2.022	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-]Cc1ccc(OC2CCCC2)nc1	ZINC000277030694	550624016	/nfs/dbraw/zinc/62/40/16/550624016.db2.gz	ODBIDOVTFTYGOI-UHFFFAOYSA-N	-1	3	358.423	2.148	20	30		FEEDHM
CCCn1c(=O)[n-]c(=O)c2c(C(=O)N3CC(C)(C#N)C3)cc(C(C)C)nc21	ZINC000281779885	551142577	/nfs/dbraw/zinc/14/25/77/551142577.db2.gz	LKMXMOWOMFTOFI-UHFFFAOYSA-N	-1	3	369.425	2.016	20	30		FEEDHM
CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1)[C@H](O)C(F)(F)F	ZINC000497933960	561511660	/nfs/dbraw/zinc/51/16/60/561511660.db2.gz	HWOCXXCPDHXUJH-QWRGUYRKSA-N	-1	3	356.753	2.192	20	30		FEEDHM
CC(C)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)c1nncn1C	ZINC000285409331	551751748	/nfs/dbraw/zinc/75/17/48/551751748.db2.gz	UUHPYJLFWAWXIR-CYBMUJFWSA-N	-1	3	353.835	2.016	20	30		FEEDHM
C[C@H]1COCC[C@@H]1[N-]S(=O)(=O)c1cccc(Br)c1C#N	ZINC000287255883	551981815	/nfs/dbraw/zinc/98/18/15/551981815.db2.gz	HNKIMFOFSQWYOX-CABZTGNLSA-N	-1	3	359.245	2.024	20	30		FEEDHM
C[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C#N)o2)CCN1Cc1ccccc1	ZINC000287659990	552031287	/nfs/dbraw/zinc/03/12/87/552031287.db2.gz	CSXAVRCGRYZTQT-GDBMZVCRSA-N	-1	3	359.451	2.483	20	30		FEEDHM
C[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C#N)o2)CCN1Cc1ccccc1	ZINC000287659996	552031294	/nfs/dbraw/zinc/03/12/94/552031294.db2.gz	CSXAVRCGRYZTQT-GOEBONIOSA-N	-1	3	359.451	2.483	20	30		FEEDHM
C=C[C@H](CC(=O)N1CCC[C@@H]1C[C@]1(C)NC(=O)[N-]C1=O)c1ccccc1	ZINC000287782964	552046183	/nfs/dbraw/zinc/04/61/83/552046183.db2.gz	IRDZIYGZWYFCHY-KKVAFCGZSA-N	-1	3	355.438	2.326	20	30		FEEDHM
COc1ccc(C[C@](C)(O)C/N=C/c2ccc(O)c([O-])c2O)cc1OC	ZINC000290566476	552499474	/nfs/dbraw/zinc/49/94/74/552499474.db2.gz	NVWLWQVLZZLWDM-LKQKOTCASA-N	-1	3	361.394	2.233	20	30		FEEDHM
C=CCCCS(=O)(=O)[N-]c1cc(-n2nnnc2C2CC2)ccc1F	ZINC000291930954	552675947	/nfs/dbraw/zinc/67/59/47/552675947.db2.gz	WNATYRUEQSDRBU-UHFFFAOYSA-N	-1	3	351.407	2.387	20	30		FEEDHM
C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C[C@@H](O)c1ccc(C#N)cc1	ZINC000292177589	552701860	/nfs/dbraw/zinc/70/18/60/552701860.db2.gz	QGQQTXVALLAIRS-KCPJHIHWSA-N	-1	3	355.360	2.123	20	30		FEEDHM
N#Cc1ccc(O[C@H]2CCN(C(=O)NCc3ccc([O-])c(F)c3)C2)nc1	ZINC000292840289	552763555	/nfs/dbraw/zinc/76/35/55/552763555.db2.gz	BXSLIUWBKVDXKQ-AWEZNQCLSA-N	-1	3	356.357	2.161	20	30		FEEDHM
CCC[C@H](C)C(=O)NCC[N-]S(=O)(=O)c1cc(C#N)ccc1Cl	ZINC000293024012	552781439	/nfs/dbraw/zinc/78/14/39/552781439.db2.gz	PTBPIPPAGFPPJD-NSHDSACASA-N	-1	3	357.863	2.042	20	30		FEEDHM
C=CCC(C)(C)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1	ZINC000293553181	552834996	/nfs/dbraw/zinc/83/49/96/552834996.db2.gz	PDLGINBHMHIAMI-UHFFFAOYSA-N	-1	3	350.893	2.398	20	30		FEEDHM
COCC[C@@H]([N-]S(=O)(=O)Cc1ccc(F)cc1C#N)c1ccco1	ZINC000295219562	552970899	/nfs/dbraw/zinc/97/08/99/552970899.db2.gz	VNSDHSSDVCBDFQ-OAHLLOKOSA-N	-1	3	352.387	2.488	20	30		FEEDHM
CC(C)c1nc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)n[nH]1	ZINC000295232334	552973157	/nfs/dbraw/zinc/97/31/57/552973157.db2.gz	IMKGDMFJBKSRIZ-UHFFFAOYSA-N	-1	3	373.360	2.297	20	30		FEEDHM
C=CCN(Cc1cccc(C#N)c1)C(=O)c1cncc([N-]S(C)(=O)=O)c1	ZINC000502820580	561626485	/nfs/dbraw/zinc/62/64/85/561626485.db2.gz	ZMUXXCQOVPCVHU-UHFFFAOYSA-N	-1	3	370.434	2.153	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)[C@H](CO)c1ccccc1	ZINC000297300959	553275542	/nfs/dbraw/zinc/27/55/42/553275542.db2.gz	UWTZVFVOIKCKDI-GOSISDBHSA-N	-1	3	353.422	2.400	20	30		FEEDHM
Cc1cc([N-]C(=O)[C@H](C)N2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)on1	ZINC000328666135	553804672	/nfs/dbraw/zinc/80/46/72/553804672.db2.gz	CTFSIVIZNYHYTO-QUJCMNEKSA-N	-1	3	365.393	2.305	20	30		FEEDHM
C[C@]1(CNC(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)CCCO1	ZINC000329235018	553908127	/nfs/dbraw/zinc/90/81/27/553908127.db2.gz	IGRMHSXTIOVYRZ-MRXNPFEDSA-N	-1	3	371.434	2.161	20	30		FEEDHM
C[C@]1(C[C@H]2CCCN2C(=O)NCC2(C)CCOCC2)NC(=O)[N-]C1=O	ZINC000329300628	553921139	/nfs/dbraw/zinc/92/11/39/553921139.db2.gz	VRXLWVZHGMZOKI-SJKOYZFVSA-N	-1	3	352.435	2.214	20	30		FEEDHM
N#CC1(CS(=O)(=O)[N-][C@H]2CC(=O)N(c3ccccc3)C2)CCCCC1	ZINC000329992047	554045708	/nfs/dbraw/zinc/04/57/08/554045708.db2.gz	AKECBMYUXSSDBU-HNNXBMFYSA-N	-1	3	361.467	2.185	20	30		FEEDHM
CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)CC2(C#N)CCCCC2)[C@]12CCCO2	ZINC000330034847	554052699	/nfs/dbraw/zinc/05/26/99/554052699.db2.gz	WUORWEAHAFPYQD-BFYDXBDKSA-N	-1	3	356.488	2.106	20	30		FEEDHM
COc1cc(NC(=O)[C@H]2CCCN2C2CC2)ccc1[N-]S(C)(=O)=O	ZINC000330251608	554093617	/nfs/dbraw/zinc/09/36/17/554093617.db2.gz	HTWXOIMBDGGFAA-CQSZACIVSA-N	-1	3	353.444	2.282	20	30		FEEDHM
C[C@]1(C[N-]S(=O)(=O)c2cccc(Br)c2C#N)CCCO1	ZINC000330670102	554154740	/nfs/dbraw/zinc/15/47/40/554154740.db2.gz	LFYDPRVFVUZFJU-CYBMUJFWSA-N	-1	3	359.245	2.168	20	30		FEEDHM
CN(C)C(=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)C1	ZINC000330767864	554168696	/nfs/dbraw/zinc/16/86/96/554168696.db2.gz	XGSJHANVLRQYMJ-OLZOCXBDSA-N	-1	3	369.874	2.137	20	30		FEEDHM
CC(C)[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)c1nncn1C	ZINC000510450842	561834983	/nfs/dbraw/zinc/83/49/83/561834983.db2.gz	YDWJIOAFXFIWDL-ZDUSSCGKSA-N	-1	3	353.835	2.016	20	30		FEEDHM
CC[C@H](C)[C@@H]([N-]S(C)(=O)=O)C(=O)Nc1cccc(OCCCC#N)c1	ZINC000510395862	561833302	/nfs/dbraw/zinc/83/33/02/561833302.db2.gz	JVEHHCQIRQZVIL-XJKSGUPXSA-N	-1	3	367.471	2.272	20	30		FEEDHM
Cc1ccccc1CN1CCC(NC(=O)N=c2[n-]n(C)cc2C#N)CC1	ZINC000610565109	554530629	/nfs/dbraw/zinc/53/06/29/554530629.db2.gz	ZSTWVAIHRJXZFQ-UHFFFAOYSA-N	-1	3	352.442	2.386	20	30		FEEDHM
COC(=O)C[C@H]([N-]S(=O)(=O)c1ccccc1C#N)c1ccc(F)cc1	ZINC000510723148	561844543	/nfs/dbraw/zinc/84/45/43/561844543.db2.gz	ZHVYHVQWPNHYAP-HNNXBMFYSA-N	-1	3	362.382	2.280	20	30		FEEDHM
C=CCn1cccc1-c1nc(-c2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)no1	ZINC000349899748	554748286	/nfs/dbraw/zinc/74/82/86/554748286.db2.gz	PWPLOKKPJLQSHZ-LJQANCHMSA-N	-1	3	363.377	2.446	20	30		FEEDHM
C=C(C)[C@H]1OCC[C@H]1c1nc(-c2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)no1	ZINC000350107499	554760349	/nfs/dbraw/zinc/76/03/49/554760349.db2.gz	IAHHGDIYKFLSNS-LPMFXHHGSA-N	-1	3	368.393	2.240	20	30		FEEDHM
C=C[C@](C)(CC)C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl	ZINC000511978180	561887764	/nfs/dbraw/zinc/88/77/64/561887764.db2.gz	SJQIOHFSUXFCQA-OAHLLOKOSA-N	-1	3	362.854	2.476	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCN[C@@H](c2ccccc2)C1	ZINC000514583378	561967710	/nfs/dbraw/zinc/96/77/10/561967710.db2.gz	VVZKJRAHWITYGL-LJQANCHMSA-N	-1	3	364.449	2.381	20	30		FEEDHM
C=C(C)[C@H](CC(=O)NC1CCN(C(=O)c2cccc([O-])c2)CC1)OCC	ZINC000371052093	557058635	/nfs/dbraw/zinc/05/86/35/557058635.db2.gz	CSIUQERJWNIQJF-SFHVURJKSA-N	-1	3	360.454	2.484	20	30		FEEDHM
Cc1csc(NC(=O)CCn2[n-]c(=O)c3ccccc3c2=O)c1C#N	ZINC000521506038	562177780	/nfs/dbraw/zinc/17/77/80/562177780.db2.gz	DTZBVOQJTRMOAY-UHFFFAOYSA-N	-1	3	354.391	2.373	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)c1cccnc1C#N)c1ccccc1-n1cccn1	ZINC000375949520	558104247	/nfs/dbraw/zinc/10/42/47/558104247.db2.gz	TVYLAAJNCPKUMM-ZDUSSCGKSA-N	-1	3	353.407	2.178	20	30		FEEDHM
C[C@H]1C[C@H](C[N-]S(=O)(=O)c2ccc(C#N)o2)CN1Cc1ccccc1	ZINC000376318752	558157336	/nfs/dbraw/zinc/15/73/36/558157336.db2.gz	BERRJIZSPOIIHS-GOEBONIOSA-N	-1	3	359.451	2.340	20	30		FEEDHM
COc1cc(C(=O)[N-]c2ccncc2C#N)c([N+](=O)[O-])cc1OC(F)F	ZINC000522744640	562203117	/nfs/dbraw/zinc/20/31/17/562203117.db2.gz	DHRQZCBFFWVOMZ-UHFFFAOYSA-N	-1	3	364.264	2.146	20	30		FEEDHM
CC(C)(C#N)CCS(=O)(=O)[N-]Cc1nc(-c2cccc(F)c2)no1	ZINC000377890479	558442654	/nfs/dbraw/zinc/44/26/54/558442654.db2.gz	VRCRNIWMUVRCSE-UHFFFAOYSA-N	-1	3	352.391	2.235	20	30		FEEDHM
C=CC[C@@H](CO)NC(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O	ZINC000410074391	558737439	/nfs/dbraw/zinc/73/74/39/558737439.db2.gz	LBTXEEAWBQNLTB-VIFPVBQESA-N	-1	3	356.300	2.094	20	30		FEEDHM
C=CCN(C)C(=O)C(=O)[N-]c1sc2c(c1C(=O)OCC)CCSC2	ZINC000526105345	562267030	/nfs/dbraw/zinc/26/70/30/562267030.db2.gz	FIFTXIPAPOISOT-UHFFFAOYSA-N	-1	3	368.480	2.297	20	30		FEEDHM
COC(=O)[C@]1(C)CCCN(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C1	ZINC000412917717	559064220	/nfs/dbraw/zinc/06/42/20/559064220.db2.gz	VDLAZDOKLXAKSK-LJQANCHMSA-N	-1	3	359.426	2.010	20	30		FEEDHM
Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCC2(C#N)CCC2)c1	ZINC000416344881	559306759	/nfs/dbraw/zinc/30/67/59/559306759.db2.gz	FFGCPXKYJRORBP-UHFFFAOYSA-N	-1	3	354.366	2.365	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1C#N)C1CCOCC1	ZINC000416429118	559312315	/nfs/dbraw/zinc/31/23/15/559312315.db2.gz	UKPBNCZZQSOVHT-JTQLQIEISA-N	-1	3	373.272	2.414	20	30		FEEDHM
N#Cc1ccc(Br)cc1S(=O)(=O)[N-]CC1(CCO)CCC1	ZINC000416431067	559312354	/nfs/dbraw/zinc/31/23/54/559312354.db2.gz	GSKLXWMYMPMECU-UHFFFAOYSA-N	-1	3	373.272	2.152	20	30		FEEDHM
CO[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1cc(Br)ccc1C#N	ZINC000416459031	559314545	/nfs/dbraw/zinc/31/45/45/559314545.db2.gz	QVRCVBZRHKSLLT-DGCLKSJQSA-N	-1	3	373.272	2.414	20	30		FEEDHM
CO[C@@H](C[N-]S(=O)(=O)c1cc(Br)ccc1C#N)C1CC1	ZINC000416490157	559317206	/nfs/dbraw/zinc/31/72/06/559317206.db2.gz	SUIIWTOVXIYEOF-LBPRGKRZSA-N	-1	3	359.245	2.024	20	30		FEEDHM
C=C(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cccc(Cl)c1C(=O)OC	ZINC000416530626	559320028	/nfs/dbraw/zinc/32/00/28/559320028.db2.gz	SPHDVTLBCDYYIA-XHDPSFHLSA-N	-1	3	373.858	2.386	20	30		FEEDHM
N#Cc1ccc(Br)cc1S(=O)(=O)[N-][C@H]1CCC[C@@H](CO)C1	ZINC000416639801	559326913	/nfs/dbraw/zinc/32/69/13/559326913.db2.gz	ASGKMSMDYVITSB-MFKMUULPSA-N	-1	3	373.272	2.150	20	30		FEEDHM
C[C@@H](C[N-]S(=O)(=O)c1cccnc1C#N)Oc1cccc(Cl)c1	ZINC000428370907	559774019	/nfs/dbraw/zinc/77/40/19/559774019.db2.gz	CFBPTGWKARXXKO-NSHDSACASA-N	-1	3	351.815	2.352	20	30		FEEDHM
Cc1ccccc1[C@@H]([C@H](C)[N-]S(=O)(=O)c1cccnc1C#N)N(C)C	ZINC000428398553	559774770	/nfs/dbraw/zinc/77/47/70/559774770.db2.gz	GAHFDQIQZPFKHD-KBXCAEBGSA-N	-1	3	358.467	2.231	20	30		FEEDHM
CCC[C@H](C)C(=O)NCC[N-]S(=O)(=O)c1ccc(C#N)cc1Cl	ZINC000431632740	559842910	/nfs/dbraw/zinc/84/29/10/559842910.db2.gz	IOFYADCWYXZJDI-NSHDSACASA-N	-1	3	357.863	2.042	20	30		FEEDHM
C/C=C\C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)C(=O)OCC	ZINC000433880467	559889566	/nfs/dbraw/zinc/88/95/66/559889566.db2.gz	AITDXJNWJPZKDC-DXTPNHAXSA-N	-1	3	356.831	2.388	20	30		FEEDHM
Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCC2(CC#N)CC2)c1	ZINC000435958840	559933072	/nfs/dbraw/zinc/93/30/72/559933072.db2.gz	MQKFZRVXCLXOAT-UHFFFAOYSA-N	-1	3	354.366	2.365	20	30		FEEDHM
C=CCn1cccc1C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1	ZINC000436730251	559950169	/nfs/dbraw/zinc/95/01/69/559950169.db2.gz	WBHYMNSGHJCVOZ-UHFFFAOYSA-N	-1	3	353.422	2.414	20	30		FEEDHM
Cc1ccc(C(=O)N2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)c([O-])c1C	ZINC000436744951	559950833	/nfs/dbraw/zinc/95/08/33/559950833.db2.gz	RHHPGANPXGGBBB-QKKBWIMNSA-N	-1	3	361.401	2.495	20	30		FEEDHM
COc1ccc(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c([O-])c1	ZINC000436916909	559956476	/nfs/dbraw/zinc/95/64/76/559956476.db2.gz	BLMLZRCFCVDWGQ-QGZVFWFLSA-N	-1	3	365.389	2.198	20	30		FEEDHM
C[C@@H]1CCC[C@@H](C)N1CC[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000443063287	560068611	/nfs/dbraw/zinc/06/86/11/560068611.db2.gz	ACWIEYGWDIMNRL-CHWSQXEVSA-N	-1	3	366.443	2.008	20	30		FEEDHM
CCc1nc(C(C)(C)[N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)no1	ZINC000443151268	560072991	/nfs/dbraw/zinc/07/29/91/560072991.db2.gz	GFGKPFQWPHNVAZ-UHFFFAOYSA-N	-1	3	354.819	2.371	20	30		FEEDHM
COC(=O)c1cc(F)cc(S(=O)(=O)[N-]CC2CCC(C#N)CC2)c1	ZINC000443224638	560075258	/nfs/dbraw/zinc/07/52/58/560075258.db2.gz	MLZMGWUJZICRTQ-UHFFFAOYSA-N	-1	3	354.403	2.221	20	30		FEEDHM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H]1C[C@@H]1Cc1ccccc1	ZINC000443242891	560076014	/nfs/dbraw/zinc/07/60/14/560076014.db2.gz	CKQGHOBUCYAHNO-ZFWWWQNUSA-N	-1	3	357.391	2.376	20	30		FEEDHM
CC#CCC[N-]S(=O)(=O)c1cc(OC)c(Br)cc1OC	ZINC000444181201	560104229	/nfs/dbraw/zinc/10/42/29/560104229.db2.gz	AOAISYUEDWNMFN-UHFFFAOYSA-N	-1	3	362.245	2.158	20	30		FEEDHM
COC[C@@](C)(C#N)NC(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O	ZINC000444300977	560108690	/nfs/dbraw/zinc/10/86/90/560108690.db2.gz	BWYBMEUTYJHFPN-OAHLLOKOSA-N	-1	3	369.299	2.085	20	30		FEEDHM
C=CCC1(C(=O)NCc2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)CCCC1	ZINC000449831485	560241708	/nfs/dbraw/zinc/24/17/08/560241708.db2.gz	WGIFBPFDOMUQMS-IBGZPJMESA-N	-1	3	355.438	2.494	20	30		FEEDHM
CN(Cc1ccccc1)C1(C[N-]S(=O)(=O)c2ccc(C#N)o2)CCC1	ZINC000451795065	560328901	/nfs/dbraw/zinc/32/89/01/560328901.db2.gz	IFGPPLMKKUAHJW-UHFFFAOYSA-N	-1	3	359.451	2.484	20	30		FEEDHM
N#Cc1c(Br)cccc1S(=O)(=O)[N-]C[C@@H]1CCCC[C@H]1O	ZINC000451957858	560340574	/nfs/dbraw/zinc/34/05/74/560340574.db2.gz	VPVCRLNYRUWKEP-GXFFZTMASA-N	-1	3	373.272	2.150	20	30		FEEDHM
C=CCC[C@H](CO)[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F	ZINC000452025470	560346229	/nfs/dbraw/zinc/34/62/29/560346229.db2.gz	RHURYWALQBPGHQ-SNVBAGLBSA-N	-1	3	364.826	2.043	20	30		FEEDHM
C=C(CC)C[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1Br	ZINC000452040052	560347349	/nfs/dbraw/zinc/34/73/49/560347349.db2.gz	INGURCXMMQHXAD-UHFFFAOYSA-N	-1	3	362.245	2.480	20	30		FEEDHM
C=CCC(C)(C)CNC(=O)NCc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1	ZINC000458192565	560607865	/nfs/dbraw/zinc/60/78/65/560607865.db2.gz	DXAJXWFMRMKYQO-IBGZPJMESA-N	-1	3	358.442	2.143	20	30		FEEDHM
CC(C)O[C@H]1C[C@H]([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1(C)C	ZINC000463846753	560826242	/nfs/dbraw/zinc/82/62/42/560826242.db2.gz	LYZHCKSHYLJGML-GJZGRUSLSA-N	-1	3	367.427	2.337	20	30		FEEDHM
C=CCn1c(=O)[n-]nc1SCCCS(=O)(=O)c1ccc(F)cc1	ZINC000470828668	560991016	/nfs/dbraw/zinc/99/10/16/560991016.db2.gz	YLPGSQNHVQCGQK-UHFFFAOYSA-N	-1	3	357.432	2.265	20	30		FEEDHM
CC1(C)CCC([N-]S(=O)(=O)CC2(C#N)CCCCC2)(C(N)=O)CC1	ZINC000476528600	561121767	/nfs/dbraw/zinc/12/17/67/561121767.db2.gz	AGJMQTMBZAZDMN-UHFFFAOYSA-N	-1	3	355.504	2.204	20	30		FEEDHM
COC(=O)c1ccc(S(=O)(=O)[N-]CCc2cccc(C#N)c2)c(F)c1	ZINC000569043845	568278450	/nfs/dbraw/zinc/27/84/50/568278450.db2.gz	PIGZOAWNXLZGIS-UHFFFAOYSA-N	-1	3	362.382	2.005	20	30		FEEDHM
Cn1c2ccccc2nc1C(C#N)=C([O-])c1nn(C)c2ccccc2c1=O	ZINC000605075006	568553494	/nfs/dbraw/zinc/55/34/94/568553494.db2.gz	MDQCYBXSGMIGQC-CYBMUJFWSA-N	-1	3	357.373	2.310	20	30		FEEDHM
C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H](C#N)c1ccc(F)cc1	ZINC000736169185	598850104	/nfs/dbraw/zinc/85/01/04/598850104.db2.gz	KKEABHDEMSUQDJ-MEDUHNTESA-N	-1	3	366.356	2.154	20	30		FEEDHM
COc1ccc(O[C@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1	ZINC000737107266	598916406	/nfs/dbraw/zinc/91/64/06/598916406.db2.gz	AETIFIFIPJONEY-LLVKDONJSA-N	-1	3	364.365	2.153	20	30		FEEDHM
COc1ccc(O[C@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1	ZINC000737107266	598916407	/nfs/dbraw/zinc/91/64/07/598916407.db2.gz	AETIFIFIPJONEY-LLVKDONJSA-N	-1	3	364.365	2.153	20	30		FEEDHM
N#Cc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1-c1nnn[n-]1	ZINC000737715560	598919268	/nfs/dbraw/zinc/91/92/68/598919268.db2.gz	BCJSWYSEVPYXOT-UHFFFAOYSA-N	-1	3	354.757	2.409	20	30		FEEDHM
N#Cc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1-c1nn[n-]n1	ZINC000737715560	598919269	/nfs/dbraw/zinc/91/92/69/598919269.db2.gz	BCJSWYSEVPYXOT-UHFFFAOYSA-N	-1	3	354.757	2.409	20	30		FEEDHM
COCCOc1cccc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c1	ZINC000737016374	598919876	/nfs/dbraw/zinc/91/98/76/598919876.db2.gz	XCYCTCKDTYEOJN-UHFFFAOYSA-N	-1	3	364.365	2.016	20	30		FEEDHM
COCCOc1cccc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c1	ZINC000737016374	598919877	/nfs/dbraw/zinc/91/98/77/598919877.db2.gz	XCYCTCKDTYEOJN-UHFFFAOYSA-N	-1	3	364.365	2.016	20	30		FEEDHM
CC(=O)Nc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)ccc1F	ZINC000735482811	598926371	/nfs/dbraw/zinc/92/63/71/598926371.db2.gz	VWMMITCVCWWNMM-UHFFFAOYSA-N	-1	3	365.328	2.088	20	30		FEEDHM
CC(=O)Nc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)ccc1F	ZINC000735482811	598926372	/nfs/dbraw/zinc/92/63/72/598926372.db2.gz	VWMMITCVCWWNMM-UHFFFAOYSA-N	-1	3	365.328	2.088	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2cncn2-c2ccc(F)cc2)cc1-c1nnn[n-]1	ZINC000737719438	598927459	/nfs/dbraw/zinc/92/74/59/598927459.db2.gz	QLOIMANYIFUTHD-UHFFFAOYSA-N	-1	3	374.339	2.315	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2cncn2-c2ccc(F)cc2)cc1-c1nn[n-]n1	ZINC000737719438	598927460	/nfs/dbraw/zinc/92/74/60/598927460.db2.gz	QLOIMANYIFUTHD-UHFFFAOYSA-N	-1	3	374.339	2.315	20	30		FEEDHM
Cc1ccc(Cl)c2c1NC(=O)C2=NNCc1ccc(-c2nnn[n-]2)cc1	ZINC000822240179	607254107	/nfs/dbraw/zinc/25/41/07/607254107.db2.gz	VZPNBTOBAJEFDV-UHFFFAOYSA-N	-1	3	367.800	2.275	20	30		FEEDHM
Cc1ccc(Cl)c2c1NC(=O)C2=NNCc1ccc(-c2nn[n-]n2)cc1	ZINC000822240179	607254108	/nfs/dbraw/zinc/25/41/08/607254108.db2.gz	VZPNBTOBAJEFDV-UHFFFAOYSA-N	-1	3	367.800	2.275	20	30		FEEDHM
C[C@](C#N)(NC(=O)COc1ccc(-c2nn[n-]n2)cc1)C1CCCCC1	ZINC000735503007	598969930	/nfs/dbraw/zinc/96/99/30/598969930.db2.gz	FAXIXFCSZLDBOI-GOSISDBHSA-N	-1	3	354.414	2.224	20	30		FEEDHM
N#Cc1ccc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)cn1	ZINC000737712816	598980480	/nfs/dbraw/zinc/98/04/80/598980480.db2.gz	UZFDYAORYHYUOE-UHFFFAOYSA-N	-1	3	351.395	2.326	20	30		FEEDHM
N#Cc1ccc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)cn1	ZINC000737712816	598980481	/nfs/dbraw/zinc/98/04/81/598980481.db2.gz	UZFDYAORYHYUOE-UHFFFAOYSA-N	-1	3	351.395	2.326	20	30		FEEDHM
COc1ccc(C=C2N=C(c3ccc(C#N)cc3)OC2=O)cc1-c1nnn[n-]1	ZINC000737084758	599175266	/nfs/dbraw/zinc/17/52/66/599175266.db2.gz	VJIOCTWTOFLBRL-DHDCSXOGSA-N	-1	3	372.344	2.091	20	30		FEEDHM
COc1ccc(C=C2N=C(c3ccc(C#N)cc3)OC2=O)cc1-c1nn[n-]n1	ZINC000737084758	599175269	/nfs/dbraw/zinc/17/52/69/599175269.db2.gz	VJIOCTWTOFLBRL-DHDCSXOGSA-N	-1	3	372.344	2.091	20	30		FEEDHM
N#Cc1cc(NC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])ccc1-c1nnn[n-]1	ZINC000737708095	599191724	/nfs/dbraw/zinc/19/17/24/599191724.db2.gz	CUXQFGABSWVZIV-UHFFFAOYSA-N	-1	3	371.263	2.177	20	30		FEEDHM
N#Cc1cc(NC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])ccc1-c1nn[n-]n1	ZINC000737708095	599191727	/nfs/dbraw/zinc/19/17/27/599191727.db2.gz	CUXQFGABSWVZIV-UHFFFAOYSA-N	-1	3	371.263	2.177	20	30		FEEDHM
Cc1ccnn1-c1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1	ZINC000737442874	599198129	/nfs/dbraw/zinc/19/81/29/599198129.db2.gz	IEQHINLKDUBANL-UHFFFAOYSA-N	-1	3	370.376	2.485	20	30		FEEDHM
Cc1ccnn1-c1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1	ZINC000737442874	599198131	/nfs/dbraw/zinc/19/81/31/599198131.db2.gz	IEQHINLKDUBANL-UHFFFAOYSA-N	-1	3	370.376	2.485	20	30		FEEDHM
C=CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C(F)(F)F	ZINC000735409915	599210356	/nfs/dbraw/zinc/21/03/56/599210356.db2.gz	OPCIFZWAKSYILQ-MRVPVSSYSA-N	-1	3	361.349	2.128	20	30		FEEDHM
C=CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C(F)(F)F	ZINC000735409915	599210357	/nfs/dbraw/zinc/21/03/57/599210357.db2.gz	OPCIFZWAKSYILQ-MRVPVSSYSA-N	-1	3	361.349	2.128	20	30		FEEDHM
CN(C)CCN(CC(=O)[O-])C(=O)c1cccc(Nc2ccc(C#N)cc2)c1	ZINC000739606388	597053388	/nfs/dbraw/zinc/05/33/88/597053388.db2.gz	PPMYCOXPVGFTEV-UHFFFAOYSA-N	-1	3	366.421	2.390	20	30		FEEDHM
C#CCN(CC#CC)C(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C	ZINC000735374057	599248515	/nfs/dbraw/zinc/24/85/15/599248515.db2.gz	AIOMUSSDOVSZAA-UHFFFAOYSA-N	-1	3	372.432	2.373	20	30		FEEDHM
C#CCOc1ccc(NC(=O)c2ncc(-c3nnn[n-]3)cc2Cl)cc1	ZINC000819709833	607300187	/nfs/dbraw/zinc/30/01/87/607300187.db2.gz	QZHXZSZDSBGSLO-UHFFFAOYSA-N	-1	3	354.757	2.179	20	30		FEEDHM
C#CCOc1ccc(NC(=O)c2ncc(-c3nn[n-]n3)cc2Cl)cc1	ZINC000819709833	607300188	/nfs/dbraw/zinc/30/01/88/607300188.db2.gz	QZHXZSZDSBGSLO-UHFFFAOYSA-N	-1	3	354.757	2.179	20	30		FEEDHM
N#Cc1nc(N)n(Cc2csc(C3CCCCC3)n2)c1-c1nnn[n-]1	ZINC000737728793	598569526	/nfs/dbraw/zinc/56/95/26/598569526.db2.gz	VXTKHEMSHAFIGW-UHFFFAOYSA-N	-1	3	355.431	2.070	20	30		FEEDHM
N#Cc1nc(N)n(Cc2csc(C3CCCCC3)n2)c1-c1nn[n-]n1	ZINC000737728793	598569528	/nfs/dbraw/zinc/56/95/28/598569528.db2.gz	VXTKHEMSHAFIGW-UHFFFAOYSA-N	-1	3	355.431	2.070	20	30		FEEDHM
Fc1ccc(CON=Cc2ccc(-n3cncn3)cc2)c(-c2nnn[n-]2)c1	ZINC000737647241	598675094	/nfs/dbraw/zinc/67/50/94/598675094.db2.gz	AFJDXMFMDUQFLX-UHFFFAOYSA-N	-1	3	364.344	2.137	20	30		FEEDHM
Fc1ccc(CON=Cc2ccc(-n3cncn3)cc2)c(-c2nn[n-]n2)c1	ZINC000737647241	598675096	/nfs/dbraw/zinc/67/50/96/598675096.db2.gz	AFJDXMFMDUQFLX-UHFFFAOYSA-N	-1	3	364.344	2.137	20	30		FEEDHM
N#CCCN(CCC#N)C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1	ZINC000737686654	598684920	/nfs/dbraw/zinc/68/49/20/598684920.db2.gz	KWUUJAORRQPGQC-UHFFFAOYSA-N	-1	3	367.413	2.072	20	30		FEEDHM
N#CCCN(CCC#N)C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1	ZINC000737686654	598684922	/nfs/dbraw/zinc/68/49/22/598684922.db2.gz	KWUUJAORRQPGQC-UHFFFAOYSA-N	-1	3	367.413	2.072	20	30		FEEDHM
N#CC1(NC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)CCC1	ZINC000737678642	598685336	/nfs/dbraw/zinc/68/53/36/598685336.db2.gz	KYUDYJABJUJXNO-UHFFFAOYSA-N	-1	3	361.365	2.230	20	30		FEEDHM
N#CC1(NC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)CCC1	ZINC000737678642	598685338	/nfs/dbraw/zinc/68/53/38/598685338.db2.gz	KYUDYJABJUJXNO-UHFFFAOYSA-N	-1	3	361.365	2.230	20	30		FEEDHM
N#C[C@H](NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1)C1CC1	ZINC000737675542	598691660	/nfs/dbraw/zinc/69/16/60/598691660.db2.gz	PMTYCHASFLYAPM-HNNXBMFYSA-N	-1	3	361.365	2.086	20	30		FEEDHM
N#C[C@H](NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1)C1CC1	ZINC000737675542	598691661	/nfs/dbraw/zinc/69/16/61/598691661.db2.gz	PMTYCHASFLYAPM-HNNXBMFYSA-N	-1	3	361.365	2.086	20	30		FEEDHM
N#Cc1cccc(C(=O)N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)c1	ZINC000737723587	598747103	/nfs/dbraw/zinc/74/71/03/598747103.db2.gz	XTRLBJCWKYWDBV-UHFFFAOYSA-N	-1	3	374.404	2.422	20	30		FEEDHM
C=CCOc1ccc(OCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1	ZINC000819758655	599387761	/nfs/dbraw/zinc/38/77/61/599387761.db2.gz	DLCBXLBWCKLRQF-UHFFFAOYSA-N	-1	3	351.366	2.449	20	30		FEEDHM
C=CCOc1ccc(OCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1	ZINC000819758655	599387764	/nfs/dbraw/zinc/38/77/64/599387764.db2.gz	DLCBXLBWCKLRQF-UHFFFAOYSA-N	-1	3	351.366	2.449	20	30		FEEDHM
N#CC1(NC(=O)c2cccc(OCc3ccccc3-c3nnn[n-]3)c2)CC1	ZINC000737678555	599570021	/nfs/dbraw/zinc/57/00/21/599570021.db2.gz	JVUUROVJGCQROE-UHFFFAOYSA-N	-1	3	360.377	2.232	20	30		FEEDHM
N#CC1(NC(=O)c2cccc(OCc3ccccc3-c3nn[n-]n3)c2)CC1	ZINC000737678555	599570024	/nfs/dbraw/zinc/57/00/24/599570024.db2.gz	JVUUROVJGCQROE-UHFFFAOYSA-N	-1	3	360.377	2.232	20	30		FEEDHM
CCn1ccnc1CN1CCCN([C@H](C(=O)[O-])c2cccc(C#N)c2)CC1	ZINC000830424064	601314947	/nfs/dbraw/zinc/31/49/47/601314947.db2.gz	GXHYIXMNJCLNBZ-IBGZPJMESA-N	-1	3	367.453	2.108	20	30		FEEDHM
O=C(COc1ccccc1-c1nnn[n-]1)OCC#Cc1cccc(Cl)c1	ZINC000823055879	607504931	/nfs/dbraw/zinc/50/49/31/607504931.db2.gz	YNLKJZILMDIAJX-UHFFFAOYSA-N	-1	3	368.780	2.494	20	30		FEEDHM
O=C(COc1ccccc1-c1nn[n-]n1)OCC#Cc1cccc(Cl)c1	ZINC000823055879	607504932	/nfs/dbraw/zinc/50/49/32/607504932.db2.gz	YNLKJZILMDIAJX-UHFFFAOYSA-N	-1	3	368.780	2.494	20	30		FEEDHM
C[C@H](C(=O)[O-])[C@@H](NCC(=O)NCc1ccc(C#N)cc1)c1ccccc1	ZINC000826055392	601650594	/nfs/dbraw/zinc/65/05/94/601650594.db2.gz	ZUQDFKFHMIXABY-IFXJQAMLSA-N	-1	3	351.406	2.226	20	30		FEEDHM
Cc1nnc(-c2cccc(C#N)c2)n1CN1CC[C@H](NC(=O)[O-])[C@@H](C)C1	ZINC000740251515	603397921	/nfs/dbraw/zinc/39/79/21/603397921.db2.gz	CKQBUJWASHLCDE-LRDDRELGSA-N	-1	3	354.414	2.061	20	30		FEEDHM
Cn1cc(CN2CCC(CNC(=O)[O-])CC2)c(-c2ccc(C#N)cc2)n1	ZINC000833949858	605563046	/nfs/dbraw/zinc/56/30/46/605563046.db2.gz	XVJNHMFCTPQRSU-UHFFFAOYSA-N	-1	3	353.426	2.438	20	30		FEEDHM
N#Cc1cc2ccccc2nc1NCCNc1ccc(-c2nnn[n-]2)cn1	ZINC000822823078	606039948	/nfs/dbraw/zinc/03/99/48/606039948.db2.gz	KDLJZHPFSGSJNF-UHFFFAOYSA-N	-1	3	357.381	2.206	20	30		FEEDHM
N#Cc1cc2ccccc2nc1NCCNc1ccc(-c2nn[n-]n2)cn1	ZINC000822823078	606039953	/nfs/dbraw/zinc/03/99/53/606039953.db2.gz	KDLJZHPFSGSJNF-UHFFFAOYSA-N	-1	3	357.381	2.206	20	30		FEEDHM
N#C[C@@H](c1ccccc1)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1	ZINC000822801889	606073306	/nfs/dbraw/zinc/07/33/06/606073306.db2.gz	QFFNXUAFEFKWLM-IBGZPJMESA-N	-1	3	359.437	2.249	20	30		FEEDHM
O=C(C#Cc1ccccc1)NC1CCN(c2ccccc2-c2nnn[n-]2)CC1	ZINC000822912157	606112780	/nfs/dbraw/zinc/11/27/80/606112780.db2.gz	OOVZUDLULSHTRX-UHFFFAOYSA-N	-1	3	372.432	2.003	20	30		FEEDHM
O=C(C#Cc1ccccc1)NC1CCN(c2ccccc2-c2nn[n-]n2)CC1	ZINC000822912157	606112782	/nfs/dbraw/zinc/11/27/82/606112782.db2.gz	OOVZUDLULSHTRX-UHFFFAOYSA-N	-1	3	372.432	2.003	20	30		FEEDHM
C#C[C@H]([N-]S(=O)(=O)c1cnc(NC(C)=O)s1)c1ccc(Cl)cc1	ZINC000810100018	674531560	/nfs/dbraw/zinc/53/15/60/674531560.db2.gz	UFTWZGNUIKMEBO-LBPRGKRZSA-N	-1	3	369.855	2.408	20	30		FEEDHM
CO[C@H](C)c1nc(CSc2nc(N)c(C#N)cc2-c2nnn[n-]2)cs1	ZINC000821675171	606170875	/nfs/dbraw/zinc/17/08/75/606170875.db2.gz	FIUBEGYKJKOEBB-SSDOTTSWSA-N	-1	3	374.455	2.172	20	30		FEEDHM
CO[C@H](C)c1nc(CSc2nc(N)c(C#N)cc2-c2nn[n-]n2)cs1	ZINC000821675171	606170876	/nfs/dbraw/zinc/17/08/76/606170876.db2.gz	FIUBEGYKJKOEBB-SSDOTTSWSA-N	-1	3	374.455	2.172	20	30		FEEDHM
C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccc(F)cc1C#N	ZINC000820541871	606268180	/nfs/dbraw/zinc/26/81/80/606268180.db2.gz	JMIPRFUCZAEGGS-SNVBAGLBSA-N	-1	3	352.329	2.283	20	30		FEEDHM
C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccc(F)cc1C#N	ZINC000820541871	606268182	/nfs/dbraw/zinc/26/81/82/606268182.db2.gz	JMIPRFUCZAEGGS-SNVBAGLBSA-N	-1	3	352.329	2.283	20	30		FEEDHM
N#C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1cccc(C(F)(F)F)c1	ZINC000822801703	606322533	/nfs/dbraw/zinc/32/25/33/606322533.db2.gz	MURWTBLSMUJXQF-GFCCVEGCSA-N	-1	3	361.287	2.208	20	30		FEEDHM
N#C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1cccc(C(F)(F)F)c1	ZINC000822801703	606322535	/nfs/dbraw/zinc/32/25/35/606322535.db2.gz	MURWTBLSMUJXQF-GFCCVEGCSA-N	-1	3	361.287	2.208	20	30		FEEDHM
N#Cc1ccc(F)c(CNC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)c1	ZINC000822829887	606347923	/nfs/dbraw/zinc/34/79/23/606347923.db2.gz	NVNHYCASFIKWAO-UHFFFAOYSA-N	-1	3	355.308	2.338	20	30		FEEDHM
N#Cc1ccc(F)c(CNC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)c1	ZINC000822829887	606347924	/nfs/dbraw/zinc/34/79/24/606347924.db2.gz	NVNHYCASFIKWAO-UHFFFAOYSA-N	-1	3	355.308	2.338	20	30		FEEDHM
N#Cc1cc(F)ccc1NC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1	ZINC000822823677	606358285	/nfs/dbraw/zinc/35/82/85/606358285.db2.gz	XOUFARFXYCVCSN-UHFFFAOYSA-N	-1	3	367.344	2.078	20	30		FEEDHM
C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](C#N)C1CCCCC1	ZINC000820529110	606362275	/nfs/dbraw/zinc/36/22/75/606362275.db2.gz	PDGQEHRSHWORBZ-WBMJQRKESA-N	-1	3	354.414	2.223	20	30		FEEDHM
COCCON=Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1	ZINC000821692777	606370187	/nfs/dbraw/zinc/37/01/87/606370187.db2.gz	BMIBWFKXDZKUQL-UHFFFAOYSA-N	-1	3	353.382	2.443	20	30		FEEDHM
COCCON=Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1	ZINC000821692777	606370189	/nfs/dbraw/zinc/37/01/89/606370189.db2.gz	BMIBWFKXDZKUQL-UHFFFAOYSA-N	-1	3	353.382	2.443	20	30		FEEDHM
N#Cc1csc(C(=O)NCCSCc2ccccc2-c2nnn[n-]2)c1	ZINC000822842754	606484712	/nfs/dbraw/zinc/48/47/12/606484712.db2.gz	XEKKMKDLDKBZQI-UHFFFAOYSA-N	-1	3	370.463	2.463	20	30		FEEDHM
N#Cc1csc(C(=O)NCCSCc2ccccc2-c2nn[n-]n2)c1	ZINC000822842754	606484713	/nfs/dbraw/zinc/48/47/13/606484713.db2.gz	XEKKMKDLDKBZQI-UHFFFAOYSA-N	-1	3	370.463	2.463	20	30		FEEDHM
C=CCCO[C@H](C)C(=O)OCc1ccc(-c2nnn[n-]2)cc1OC(F)F	ZINC000819739912	606558295	/nfs/dbraw/zinc/55/82/95/606558295.db2.gz	KKZLFTNGZQQIMC-SNVBAGLBSA-N	-1	3	368.340	2.493	20	30		FEEDHM
C=CCCO[C@H](C)C(=O)OCc1ccc(-c2nn[n-]n2)cc1OC(F)F	ZINC000819739912	606558296	/nfs/dbraw/zinc/55/82/96/606558296.db2.gz	KKZLFTNGZQQIMC-SNVBAGLBSA-N	-1	3	368.340	2.493	20	30		FEEDHM
CC[C@H](C#N)OC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1	ZINC000820842266	606613485	/nfs/dbraw/zinc/61/34/85/606613485.db2.gz	LHEIEFBVGLYUKP-GFCCVEGCSA-N	-1	3	353.338	2.498	20	30		FEEDHM
COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1c(F)cc(C#N)cc1F	ZINC000821765590	606675353	/nfs/dbraw/zinc/67/53/53/606675353.db2.gz	HERHTZYZGORVNC-UHFFFAOYSA-N	-1	3	356.292	2.277	20	30		FEEDHM
C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCc1ccc(F)c(C#N)c1	ZINC000820548883	606993196	/nfs/dbraw/zinc/99/31/96/606993196.db2.gz	HKTADKXXUQBMND-LLVKDONJSA-N	-1	3	367.340	2.388	20	30		FEEDHM
C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OCc1ccc(F)c(C#N)c1	ZINC000820548883	606993197	/nfs/dbraw/zinc/99/31/97/606993197.db2.gz	HKTADKXXUQBMND-LLVKDONJSA-N	-1	3	367.340	2.388	20	30		FEEDHM
N#Cc1cc(C#N)c(SCc2ccc(F)c(-c3nnn[n-]3)c2)nc1N	ZINC000822818834	607007131	/nfs/dbraw/zinc/00/71/31/607007131.db2.gz	HGXDGPWYAVMTRF-UHFFFAOYSA-N	-1	3	352.358	2.019	20	30		FEEDHM
N#Cc1cc(C#N)c(SCc2ccc(F)c(-c3nn[n-]n3)c2)nc1N	ZINC000822818834	607007133	/nfs/dbraw/zinc/00/71/33/607007133.db2.gz	HGXDGPWYAVMTRF-UHFFFAOYSA-N	-1	3	352.358	2.019	20	30		FEEDHM
O=[N+]([O-])c1cccnc1N=NC1CCCc2cc(-c3nnn[n-]3)ccc21	ZINC000823647962	607037459	/nfs/dbraw/zinc/03/74/59/607037459.db2.gz	QTWFSQCTNGOUON-UHFFFAOYSA-N	-1	3	350.342	2.322	20	30		FEEDHM
O=[N+]([O-])c1cccnc1N=NC1CCCc2cc(-c3nn[n-]n3)ccc21	ZINC000823647962	607037461	/nfs/dbraw/zinc/03/74/61/607037461.db2.gz	QTWFSQCTNGOUON-UHFFFAOYSA-N	-1	3	350.342	2.322	20	30		FEEDHM
N#Cc1ccc(Cl)cc1OC[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1	ZINC000826385563	607878224	/nfs/dbraw/zinc/87/82/24/607878224.db2.gz	RJBODRQKFPNTGH-AWEZNQCLSA-N	-1	3	371.784	2.210	20	30		FEEDHM
FC(F)(F)c1cc(NN=Cc2cnc3ncccn23)ccc1-c1nnn[n-]1	ZINC000826368288	607888105	/nfs/dbraw/zinc/88/81/05/607888105.db2.gz	KFQCYVZFIUNWOI-UHFFFAOYSA-N	-1	3	373.302	2.374	20	30		FEEDHM
FC(F)(F)c1cc(NN=Cc2cnc3ncccn23)ccc1-c1nn[n-]n1	ZINC000826368288	607888106	/nfs/dbraw/zinc/88/81/06/607888106.db2.gz	KFQCYVZFIUNWOI-UHFFFAOYSA-N	-1	3	373.302	2.374	20	30		FEEDHM
C#CC[C@H](NS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1)c1ccccc1	ZINC000823839036	607937702	/nfs/dbraw/zinc/93/77/02/607937702.db2.gz	YVFZRLRBWLQMRL-HNNXBMFYSA-N	-1	3	371.397	2.049	20	30		FEEDHM
COc1ccc(CON=CC(=O)Nc2ccccc2)cc1-c1nnn[n-]1	ZINC000826206902	607972048	/nfs/dbraw/zinc/97/20/48/607972048.db2.gz	QGYPVDPHHRGKJW-UHFFFAOYSA-N	-1	3	352.354	2.016	20	30		FEEDHM
COc1ccc(CON=CC(=O)Nc2ccccc2)cc1-c1nn[n-]n1	ZINC000826206902	607972049	/nfs/dbraw/zinc/97/20/49/607972049.db2.gz	QGYPVDPHHRGKJW-UHFFFAOYSA-N	-1	3	352.354	2.016	20	30		FEEDHM
Fc1ccc(C#CCN2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1	ZINC000826373762	608071825	/nfs/dbraw/zinc/07/18/25/608071825.db2.gz	YWQGCFPTZCZIGC-IBGZPJMESA-N	-1	3	363.396	2.431	20	30		FEEDHM
Fc1ccc(C#CCN2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1	ZINC000826373762	608071826	/nfs/dbraw/zinc/07/18/26/608071826.db2.gz	YWQGCFPTZCZIGC-IBGZPJMESA-N	-1	3	363.396	2.431	20	30		FEEDHM
COCCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cccc(C#N)c1	ZINC000826161768	608139124	/nfs/dbraw/zinc/13/91/24/608139124.db2.gz	YXCGUZCAFNJZPG-UHFFFAOYSA-N	-1	3	364.365	2.016	20	30		FEEDHM
COCCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc(C#N)c1	ZINC000826161768	608139125	/nfs/dbraw/zinc/13/91/25/608139125.db2.gz	YXCGUZCAFNJZPG-UHFFFAOYSA-N	-1	3	364.365	2.016	20	30		FEEDHM
CC(C)(C)OC(=O)N[C@H]1CCCC1=NNCc1ccc(-c2nnn[n-]2)cc1	ZINC000824108400	608288988	/nfs/dbraw/zinc/28/89/88/608288988.db2.gz	FLPNKQOGYSLODF-AWEZNQCLSA-N	-1	3	371.445	2.390	20	30		FEEDHM
CC(C)(C)OC(=O)N[C@H]1CCCC1=NNCc1ccc(-c2nn[n-]n2)cc1	ZINC000824108400	608288989	/nfs/dbraw/zinc/28/89/89/608288989.db2.gz	FLPNKQOGYSLODF-AWEZNQCLSA-N	-1	3	371.445	2.390	20	30		FEEDHM
Cn1cc(C=NNCc2ccc(-c3nnn[n-]3)cc2)c(-c2cccs2)n1	ZINC000826360051	608752465	/nfs/dbraw/zinc/75/24/65/608752465.db2.gz	WCEXDEMSCOYAEK-UHFFFAOYSA-N	-1	3	364.438	2.452	20	30		FEEDHM
Cn1cc(C=NNCc2ccc(-c3nn[n-]n3)cc2)c(-c2cccs2)n1	ZINC000826360051	608752467	/nfs/dbraw/zinc/75/24/67/608752467.db2.gz	WCEXDEMSCOYAEK-UHFFFAOYSA-N	-1	3	364.438	2.452	20	30		FEEDHM
N#CCC[C@@H](NC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1	ZINC000826381592	609254368	/nfs/dbraw/zinc/25/43/68/609254368.db2.gz	RDIPDTOWZMYJFG-SJORKVTESA-N	-1	3	362.393	2.061	20	30		FEEDHM
N#CCC[C@@H](NC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1	ZINC000826381592	609254369	/nfs/dbraw/zinc/25/43/69/609254369.db2.gz	RDIPDTOWZMYJFG-SJORKVTESA-N	-1	3	362.393	2.061	20	30		FEEDHM
Cc1nn(C)cc1C(=O)C=Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1	ZINC000826334300	609309883	/nfs/dbraw/zinc/30/98/83/609309883.db2.gz	PDTABIWQKIINBQ-HJWRWDBZSA-N	-1	3	374.408	2.205	20	30		FEEDHM
Cc1nn(C)cc1C(=O)C=Cc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1	ZINC000826334300	609309885	/nfs/dbraw/zinc/30/98/85/609309885.db2.gz	PDTABIWQKIINBQ-HJWRWDBZSA-N	-1	3	374.408	2.205	20	30		FEEDHM
COc1cc(C)c(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)c(C)n1	ZINC000826177966	609374106	/nfs/dbraw/zinc/37/41/06/609374106.db2.gz	DEYPJHWBRNSDCT-UHFFFAOYSA-N	-1	3	358.793	2.382	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc(CC)[nH]c(=O)c1	ZINC000823914966	609377714	/nfs/dbraw/zinc/37/77/14/609377714.db2.gz	QBRADXHKXBMVBX-UHFFFAOYSA-N	-1	3	364.409	2.358	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc(CC)[nH]c(=O)c1	ZINC000823914966	609377716	/nfs/dbraw/zinc/37/77/16/609377716.db2.gz	QBRADXHKXBMVBX-UHFFFAOYSA-N	-1	3	364.409	2.358	20	30		FEEDHM
C=C(C)CN(C)C(=O)Nc1ccc(NC(=O)OCC)c(-c2nnn[n-]2)c1	ZINC000823872577	609382498	/nfs/dbraw/zinc/38/24/98/609382498.db2.gz	BCVMAFBZQNXJLR-UHFFFAOYSA-N	-1	3	359.390	2.475	20	30		FEEDHM
C=C(C)CN(C)C(=O)Nc1ccc(NC(=O)OCC)c(-c2nn[n-]n2)c1	ZINC000823872577	609382500	/nfs/dbraw/zinc/38/25/00/609382500.db2.gz	BCVMAFBZQNXJLR-UHFFFAOYSA-N	-1	3	359.390	2.475	20	30		FEEDHM
N#Cc1ccc(N2CCC[C@H](Oc3ccc(-c4nn[n-]n4)cc3)C2=O)cc1	ZINC000826385211	609428272	/nfs/dbraw/zinc/42/82/72/609428272.db2.gz	BNLLJIKYPYIOFI-KRWDZBQOSA-N	-1	3	360.377	2.313	20	30		FEEDHM
CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1cccc(-c2nnn[n-]2)c1	ZINC000824098895	609506470	/nfs/dbraw/zinc/50/64/70/609506470.db2.gz	DRKOYTUFMOEMOD-KRWDZBQOSA-N	-1	3	356.386	2.067	20	30		FEEDHM
CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1cccc(-c2nn[n-]n2)c1	ZINC000824098895	609506472	/nfs/dbraw/zinc/50/64/72/609506472.db2.gz	DRKOYTUFMOEMOD-KRWDZBQOSA-N	-1	3	356.386	2.067	20	30		FEEDHM
Cc1cc(COC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)co1	ZINC000816242531	675038251	/nfs/dbraw/zinc/03/82/51/675038251.db2.gz	LLZVLMHWTGXOOL-LLVKDONJSA-N	-1	3	362.407	2.149	20	30		FEEDHM
C#CCNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1	ZINC000018838065	670027742	/nfs/dbraw/zinc/02/77/42/670027742.db2.gz	HLQDXYIUZAQGOM-UHFFFAOYSA-N	-1	3	358.419	2.167	20	30		FEEDHM
COc1cc(-n2cccc2)c(Cl)cc1C(=O)N[C@@H]1CCCN([O-])C1=O	ZINC000816757189	675078194	/nfs/dbraw/zinc/07/81/94/675078194.db2.gz	NISYWCLDYDSQAW-CYBMUJFWSA-N	-1	3	363.801	2.249	20	30		FEEDHM
C[C@@H](Sc1nc2ccccc2s1)C(=O)N[C@@H]1CCCN([O-])C1=O	ZINC000816759080	675078221	/nfs/dbraw/zinc/07/82/21/675078221.db2.gz	DPLFLMOBJQYMTC-MWLCHTKSSA-N	-1	3	351.453	2.273	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N2Cc3ccccc3C2)ccc1F	ZINC000105978172	670807794	/nfs/dbraw/zinc/80/77/94/670807794.db2.gz	DUNJIUGCXMOSKA-UHFFFAOYSA-N	-1	3	360.410	2.446	20	30		FEEDHM
COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(C)nc2c1CCCC2	ZINC000573305241	671105760	/nfs/dbraw/zinc/10/57/60/671105760.db2.gz	NEEWDXKVXBNMHN-UHFFFAOYSA-N	-1	3	357.435	2.372	20	30		FEEDHM
C#CCSCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F	ZINC000163375823	672309194	/nfs/dbraw/zinc/30/91/94/672309194.db2.gz	RPJBMXBEGVPERK-UHFFFAOYSA-N	-1	3	368.358	2.258	20	30		FEEDHM
C#CC[N-]S(=O)(=O)c1csc(-c2ccc(Br)cc2)n1	ZINC000725817727	673092066	/nfs/dbraw/zinc/09/20/66/673092066.db2.gz	LWRLTJVNCMGYRZ-UHFFFAOYSA-N	-1	3	357.254	2.484	20	30		FEEDHM
CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)C[C@@H](OC)[C@@H]1CCOC1	ZINC000594693986	673116731	/nfs/dbraw/zinc/11/67/31/673116731.db2.gz	BFQLMQZHTSQFDA-RHSMWYFYSA-N	-1	3	367.471	2.173	20	30		FEEDHM
CCOC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)c(C)c1)C(F)(F)F	ZINC000594698732	673118566	/nfs/dbraw/zinc/11/85/66/673118566.db2.gz	FOSLLANOZYPYIT-GFCCVEGCSA-N	-1	3	364.345	2.029	20	30		FEEDHM
CC(C)Oc1ccc([N-]S(=O)(=O)CC(=O)OCCCCC#N)cc1	ZINC000733866264	673441137	/nfs/dbraw/zinc/44/11/37/673441137.db2.gz	CFVOZSNWTIEMLP-UHFFFAOYSA-N	-1	3	354.428	2.453	20	30		FEEDHM
COc1ncc(C([O-])=C(C#N)C(=O)Nc2ccc(OC)c(Cl)c2)cn1	ZINC000734080221	673451486	/nfs/dbraw/zinc/45/14/86/673451486.db2.gz	MBYYQCUSVDIEPV-NSHDSACASA-N	-1	3	360.757	2.108	20	30		FEEDHM
CCCN(CCC)C(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000742465481	673728889	/nfs/dbraw/zinc/72/88/89/673728889.db2.gz	GKEAHLOILSZJOU-CYBMUJFWSA-N	-1	3	351.472	2.152	20	30		FEEDHM
CC(C)Oc1ccc([N-]S(=O)(=O)CC(=O)OCC2(CC#N)CC2)cc1	ZINC000744275779	673790710	/nfs/dbraw/zinc/79/07/10/673790710.db2.gz	YUXDGSXXHDLACK-UHFFFAOYSA-N	-1	3	366.439	2.453	20	30		FEEDHM
CC(C)(C)c1nnc(C[N-]S(=O)(=O)c2ccccc2CC#N)s1	ZINC000601369366	673849820	/nfs/dbraw/zinc/84/98/20/673849820.db2.gz	FUYPEQLVNLKGFL-UHFFFAOYSA-N	-1	3	350.469	2.380	20	30		FEEDHM
COc1csc(C([O-])=C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)c1	ZINC000747109649	673907218	/nfs/dbraw/zinc/90/72/18/673907218.db2.gz	ZFZYJDNYUFHCTG-LBPRGKRZSA-N	-1	3	358.375	2.489	20	30		FEEDHM
CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N1C[C@H](C)[C@H]1C	ZINC000818460138	675219824	/nfs/dbraw/zinc/21/98/24/675219824.db2.gz	BURGNCMDRSHBOO-GUTXKFCHSA-N	-1	3	363.483	2.151	20	30		FEEDHM
Cc1cc(CC(C)(C)C(=O)N[C@@H]2CCN([O-])C2=O)ccc1Br	ZINC000820136968	675338830	/nfs/dbraw/zinc/33/88/30/675338830.db2.gz	HYHPZRJHPRUNOP-CYBMUJFWSA-N	-1	3	369.259	2.433	20	30		FEEDHM
O=C(CCSc1ccccc1Br)N[C@H]1CCN([O-])C1=O	ZINC000820173985	675341289	/nfs/dbraw/zinc/34/12/89/675341289.db2.gz	FSDKFTDFPAZQFJ-JTQLQIEISA-N	-1	3	359.245	2.038	20	30		FEEDHM
Cc1cc(C(=O)N[C@@H]2CCN([O-])C2=O)nn1-c1ccc(Cl)cc1Cl	ZINC000820179094	675341558	/nfs/dbraw/zinc/34/15/58/675341558.db2.gz	GAIAKNAJGNXLEB-LLVKDONJSA-N	-1	3	369.208	2.207	20	30		FEEDHM
O=C(N[C@H]1CCCN([O-])C1=O)C1(c2cc(F)cc(C(F)(F)F)c2)CC1	ZINC000820470775	675364427	/nfs/dbraw/zinc/36/44/27/675364427.db2.gz	FUHWVNHQQUBANN-LBPRGKRZSA-N	-1	3	360.307	2.373	20	30		FEEDHM
O=C(N[C@@H]1CCCN([O-])C1=O)c1cc2sc(N3CCCC3)nc2s1	ZINC000820476129	675364940	/nfs/dbraw/zinc/36/49/40/675364940.db2.gz	IGPWXAYNLAEYBB-SECBINFHSA-N	-1	3	366.468	2.068	20	30		FEEDHM
Cc1cc(NC(=O)c2ccco2)sc1C(=O)N[C@@H]1CCCN([O-])C1=O	ZINC000820482052	675365290	/nfs/dbraw/zinc/36/52/90/675365290.db2.gz	CRERAGRCBGYGKN-SNVBAGLBSA-N	-1	3	363.395	2.012	20	30		FEEDHM
O=C(N[C@@H]1CCCN([O-])C1=O)c1nccc2c(Br)cccc21	ZINC000820544389	675368786	/nfs/dbraw/zinc/36/87/86/675368786.db2.gz	JOMFZRHYTMVMSY-GFCCVEGCSA-N	-1	3	364.199	2.107	20	30		FEEDHM
C[C@H](CC(=O)O[C@@H]1CCC1(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000821836604	675455316	/nfs/dbraw/zinc/45/53/16/675455316.db2.gz	IZPDHNDXPNJMRW-BXUZGUMPSA-N	-1	3	350.440	2.236	20	30		FEEDHM
C=C[C@H](C)NC(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1	ZINC000823882985	675575588	/nfs/dbraw/zinc/57/55/88/675575588.db2.gz	HMRMZZHUARECCQ-VIFPVBQESA-N	-1	3	358.793	2.402	20	30		FEEDHM
C=C[C@H](C)NC(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1	ZINC000823882985	675575591	/nfs/dbraw/zinc/57/55/91/675575591.db2.gz	HMRMZZHUARECCQ-VIFPVBQESA-N	-1	3	358.793	2.402	20	30		FEEDHM
COC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)s1)c1cccs1	ZINC000619548056	676384244	/nfs/dbraw/zinc/38/42/44/676384244.db2.gz	PQMPIIARYZTRHT-SNVBAGLBSA-N	-1	3	356.450	2.264	20	30		FEEDHM
C=C(C)COc1cccc([N-]S(=O)(=O)C[C@@H](OC)[C@H]2CCOC2)c1	ZINC000656620774	677786259	/nfs/dbraw/zinc/78/62/59/677786259.db2.gz	GVKAECLJMOSWIQ-WMLDXEAASA-N	-1	3	355.456	2.435	20	30		FEEDHM
CN1CCC(=N[N-]c2cc(C(F)(F)F)nc(-c3ccccn3)n2)C1=O	ZINC000761814543	680732080	/nfs/dbraw/zinc/73/20/80/680732080.db2.gz	CPNHHHQYNILZMV-UHFFFAOYSA-N	-1	3	350.304	2.187	20	30		FEEDHM
C#CCOc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)OC)c2)cc1	ZINC000747615788	679892362	/nfs/dbraw/zinc/89/23/62/679892362.db2.gz	JKGAAKVYDQUZKN-UHFFFAOYSA-N	-1	3	363.366	2.425	20	30		FEEDHM
C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)OCC)ccc1F	ZINC000832347929	680125678	/nfs/dbraw/zinc/12/56/78/680125678.db2.gz	DHZNCVOAGKLRFG-KGLIPLIRSA-N	-1	3	357.403	2.014	20	30		FEEDHM
CO[C@H](C)c1nc(C[N-]S(=O)(=O)c2cccc(F)c2C#N)cs1	ZINC000751493093	680182898	/nfs/dbraw/zinc/18/28/98/680182898.db2.gz	HDKLPSDSLPSMLO-SECBINFHSA-N	-1	3	355.416	2.340	20	30		FEEDHM
C=C(CC)CNC(=O)[C@@H](CC(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000837101402	680552849	/nfs/dbraw/zinc/55/28/49/680552849.db2.gz	VZXADLRUYHTUIO-OAHLLOKOSA-N	-1	3	363.483	2.222	20	30		FEEDHM
C=CCN1CC[C@@H](OC(=O)c2cc(Br)c(F)cc2[O-])C1=O	ZINC000837779788	680647996	/nfs/dbraw/zinc/64/79/96/680647996.db2.gz	GRSSCFFVERYGNG-GFCCVEGCSA-N	-1	3	358.163	2.238	20	30		FEEDHM
CCCCC1N=NC(=S)N1N=Cc1cc(OC)c([O-])cc1[N+](=O)[O-]	ZINC000767090547	680898668	/nfs/dbraw/zinc/89/86/68/680898668.db2.gz	FPAUCLVKRABGRC-UHFFFAOYSA-N	-1	3	351.388	2.414	20	30		FEEDHM
C[C@H](CC(=O)OC[C@@H](C)CC(F)F)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000842437280	680946935	/nfs/dbraw/zinc/94/69/35/680946935.db2.gz	MPWBRNZOHJFSTB-WDEREUQCSA-N	-1	3	374.409	2.338	20	30		FEEDHM
CC(C)NS(=O)(=O)c1ccc(N=NC(C)c2sccc2[O-])nc1	ZINC000769779281	680994692	/nfs/dbraw/zinc/99/46/92/680994692.db2.gz	BKIMCWWKFUZWOO-UHFFFAOYSA-N	-1	3	354.457	2.372	20	30		FEEDHM
C#C[C@@H]([N-]S(=O)(=O)c1cc(C)c(Br)s1)[C@H]1CCCO1	ZINC000773057072	681123258	/nfs/dbraw/zinc/12/32/58/681123258.db2.gz	NZKOCZHECSTIAJ-NXEZZACHSA-N	-1	3	364.286	2.278	20	30		FEEDHM
C[N-]S(=O)(=O)c1cc(C(=O)OCc2cccc(C#N)c2F)ccc1F	ZINC000774968741	681258776	/nfs/dbraw/zinc/25/87/76/681258776.db2.gz	ZITNZLXNIKGCPY-UHFFFAOYSA-N	-1	3	366.345	2.102	20	30		FEEDHM
C[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)OCC2(C#N)CC2)c1Cl	ZINC000775865841	681343198	/nfs/dbraw/zinc/34/31/98/681343198.db2.gz	YLEXKULAMCLUDS-UHFFFAOYSA-N	-1	3	363.222	2.362	20	30		FEEDHM
O=C(N[C@H]1CCCN([O-])C1=O)c1cc2c(cncc2Br)s1	ZINC000848130181	681477537	/nfs/dbraw/zinc/47/75/37/681477537.db2.gz	GJFVGMRVQXZULV-VIFPVBQESA-N	-1	3	370.228	2.169	20	30		FEEDHM
CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCN([O-])C1=O	ZINC000848136617	681478560	/nfs/dbraw/zinc/47/85/60/681478560.db2.gz	ZCWUVTSVRBLKJV-GFCCVEGCSA-N	-1	3	353.400	2.207	20	30		FEEDHM
CCCCOc1ccc(C(=O)N[C@H]2CCCN([O-])C2=O)cc1OCC	ZINC000848138524	681478612	/nfs/dbraw/zinc/47/86/12/681478612.db2.gz	QZMNCCGOSBHYML-AWEZNQCLSA-N	-1	3	350.415	2.374	20	30		FEEDHM
C#C[C@H]1CCCN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)C1	ZINC000848288471	681507896	/nfs/dbraw/zinc/50/78/96/681507896.db2.gz	KVPRBEMRYUYRMP-ZDUSSCGKSA-N	-1	3	366.458	2.388	20	30		FEEDHM
C=CCCSCC[N-]S(=O)(=O)c1ccc(F)c(C(=O)OC)c1F	ZINC000849426495	681730221	/nfs/dbraw/zinc/73/02/21/681730221.db2.gz	ZUISOLBHRBFEMJ-UHFFFAOYSA-N	-1	3	365.423	2.339	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)CC(C)(C)C#N)c1nc(-c2cccc(F)c2)no1	ZINC000790028608	682649014	/nfs/dbraw/zinc/64/90/14/682649014.db2.gz	CVKDJCNGGYOUAN-JTQLQIEISA-N	-1	3	352.391	2.406	20	30		FEEDHM
C=CCCO[N-]C(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1	ZINC000856028718	682735795	/nfs/dbraw/zinc/73/57/95/682735795.db2.gz	ZYARWCHMVBUIKK-UHFFFAOYSA-N	-1	3	366.483	2.418	20	30		FEEDHM
CNS(=O)(=O)c1ccc(C(=O)/C=C/c2c(F)ccc([O-])c2F)cc1	ZINC000794934509	683004610	/nfs/dbraw/zinc/00/46/10/683004610.db2.gz	SRYVGYZNKNPOQH-SOFGYWHQSA-N	-1	3	353.346	2.475	20	30		FEEDHM
CCN(CCC#N)C(=O)COC(=O)c1cc([O-])cc(Br)c1	ZINC000860201242	683215159	/nfs/dbraw/zinc/21/51/59/683215159.db2.gz	JUUKAVATLIQKNU-UHFFFAOYSA-N	-1	3	355.188	2.074	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CC(C)=C[C@@H](C)C2)ccc1F	ZINC000797776765	683272441	/nfs/dbraw/zinc/27/24/41/683272441.db2.gz	BSTLAMUMPOERMG-GFCCVEGCSA-N	-1	3	352.431	2.328	20	30		FEEDHM
CCOC(=O)[C@H](CC=C(C)C)[N-]S(=O)(=O)Cc1cccc(C#N)c1	ZINC000867759526	684376574	/nfs/dbraw/zinc/37/65/74/684376574.db2.gz	QVYARXZTVMJFNA-INIZCTEOSA-N	-1	3	350.440	2.266	20	30		FEEDHM
Cc1ccc(NC(=O)N[C@H]2CCCN([O-])C2=O)c(OCC(F)(F)F)c1	ZINC000878437579	686585039	/nfs/dbraw/zinc/58/50/39/686585039.db2.gz	PVIULAAILFGLIT-NSHDSACASA-N	-1	3	361.320	2.438	20	30		FEEDHM
Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)N[C@H]1CCCN([O-])C1=O	ZINC000879470008	686829051	/nfs/dbraw/zinc/82/90/51/686829051.db2.gz	IMLNWSSHRCSNPN-ZDUSSCGKSA-N	-1	3	363.805	2.336	20	30		FEEDHM
Cc1ccc(F)c(Br)c1NC(=O)N[C@H]1CCCN([O-])C1=O	ZINC000879706710	686892289	/nfs/dbraw/zinc/89/22/89/686892289.db2.gz	RLVOMMLQZAAIKX-VIFPVBQESA-N	-1	3	360.183	2.398	20	30		FEEDHM
CC(=O)c1ccc(Br)c(NC(=O)N[C@@H]2CCCN([O-])C2=O)c1	ZINC000880812295	687087615	/nfs/dbraw/zinc/08/76/15/687087615.db2.gz	STPLGBDDZKMIRJ-LLVKDONJSA-N	-1	3	370.203	2.153	20	30		FEEDHM
N#Cc1cccc(C2([N-]S(=O)(=O)c3cccnc3F)CCOCC2)c1	ZINC000882401015	687360756	/nfs/dbraw/zinc/36/07/56/687360756.db2.gz	PPSZSVVJEMQZDO-UHFFFAOYSA-N	-1	3	361.398	2.077	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)NC(C)(C)CSC)ccc1F	ZINC000890876697	688978401	/nfs/dbraw/zinc/97/84/01/688978401.db2.gz	LLHJCOKRYRNOPS-UHFFFAOYSA-N	-1	3	360.476	2.161	20	30		FEEDHM
O=C1[C@H](NCc2cc(Cl)ccc2OC[C@@H]2CCCO2)CCCN1[O-]	ZINC000895166050	689670426	/nfs/dbraw/zinc/67/04/26/689670426.db2.gz	OQYLEHATIVGOBJ-LSDHHAIUSA-N	-1	3	354.834	2.368	20	30		FEEDHM
Cc1nn(-c2ccc(F)cc2F)c(C)c1CN[C@H]1CCCN([O-])C1=O	ZINC000895166375	689670464	/nfs/dbraw/zinc/67/04/64/689670464.db2.gz	QBIIFQPGGRSCEM-HNNXBMFYSA-N	-1	3	350.369	2.237	20	30		FEEDHM
O=c1cc(N2CC[C@@H](N=Cc3cc(Br)ccc3O)C2)nc[n-]1	ZINC000899231180	690322606	/nfs/dbraw/zinc/32/26/06/690322606.db2.gz	BJIIAPQDSIRBOO-JGSGYBEMSA-N	-1	3	363.215	2.348	20	30		FEEDHM
O=c1cc(N2CC[C@H](N=Cc3cc(Br)ccc3O)C2)nc[n-]1	ZINC000899231182	690322662	/nfs/dbraw/zinc/32/26/62/690322662.db2.gz	BJIIAPQDSIRBOO-MSBCHBQFSA-N	-1	3	363.215	2.348	20	30		FEEDHM
COC(=O)[C@H](CC(F)F)[N-]S(=O)(=O)c1c(C#N)sc2ccccc21	ZINC000907078641	691389328	/nfs/dbraw/zinc/38/93/28/691389328.db2.gz	MUYJTZFPIJJOEH-VIFPVBQESA-N	-1	3	374.390	2.248	20	30		FEEDHM
O=C(N[C@H]1CCCN([O-])C1=O)c1ccc(Nc2nccs2)cc1F	ZINC000908407307	691674521	/nfs/dbraw/zinc/67/45/21/691674521.db2.gz	VNJBKLMYMUUJIK-LBPRGKRZSA-N	-1	3	350.375	2.136	20	30		FEEDHM
C#CCN1CCC(C(=O)N[C@]2(C(=O)[O-])CC[C@@H](C)c3ccccc32)CC1	ZINC001263635601	939829403	/nfs/dbraw/zinc/82/94/03/939829403.db2.gz	NJVORQCJGWOYDT-QVKFZJNVSA-N	-1	3	354.450	2.325	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)OC[C@@H](F)C(F)(F)F)ccc1F	ZINC000800129209	674022188	/nfs/dbraw/zinc/02/21/88/674022188.db2.gz	MVRZODGZTCQUSN-LLVKDONJSA-N	-1	3	373.299	2.347	20	30		FEEDHM
C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)N[C@H]1CCCN([O-])C1=O	ZINC000820470902	675364371	/nfs/dbraw/zinc/36/43/71/675364371.db2.gz	IMGWQAUDRJPYTE-ZANVPECISA-N	-1	3	373.222	2.263	20	30		FEEDHM
N#CC[N-]S(=O)(=O)c1ccc(Br)cc1Br	ZINC000040826989	540011795	/nfs/dbraw/zinc/01/17/95/540011795.db2.gz	YJMLLWIFJWZELR-UHFFFAOYSA-N	-1	3	354.023	2.013	20	30		FEEDHM
N#CC(=C([O-])c1cccc(OCC(N)=O)c1)c1ccc(C(F)(F)F)cn1	ZINC000041552730	540024703	/nfs/dbraw/zinc/02/47/03/540024703.db2.gz	UDOSNBYKSXBDIX-CYBMUJFWSA-N	-1	3	363.295	2.455	20	30		FEEDHM
CC(=O)NCc1ccc(S(=O)(=O)[N-][C@H](C)c2ccc(C#N)cc2)s1	ZINC000042166940	540054389	/nfs/dbraw/zinc/05/43/89/540054389.db2.gz	XVQSGIRHOVFVPY-LLVKDONJSA-N	-1	3	363.464	2.295	20	30		FEEDHM
CO[C@@H](CNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1ccccc1	ZINC000043519614	540102453	/nfs/dbraw/zinc/10/24/53/540102453.db2.gz	HVYZMOCKMVLZIZ-SFHVURJKSA-N	-1	3	353.422	2.300	20	30		FEEDHM
Cc1ccc(F)c(S(=O)(=O)[N-]C2CCN(c3ccc(C#N)cn3)CC2)c1	ZINC000066937603	541397308	/nfs/dbraw/zinc/39/73/08/541397308.db2.gz	IMIMDIHULVRTBL-UHFFFAOYSA-N	-1	3	374.441	2.348	20	30		FEEDHM
C=CCn1c(=O)c2ccc(C(=O)N3CCC[C@@H](N(C)C)C3)cc2[n-]c1=S	ZINC000068486341	541598152	/nfs/dbraw/zinc/59/81/52/541598152.db2.gz	CWJNNKNGBUFOAF-CQSZACIVSA-N	-1	3	372.494	2.037	20	30		FEEDHM
N#CCc1ccc(NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)cc1	ZINC000079648859	542534038	/nfs/dbraw/zinc/53/40/38/542534038.db2.gz	VBRZRYMSWYJWLR-UHFFFAOYSA-N	-1	3	364.405	2.448	20	30		FEEDHM
N#C[C@@H]1COCCN1Cc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1	ZINC000081166929	542637696	/nfs/dbraw/zinc/63/76/96/542637696.db2.gz	ZRFJPMFNBHLHEV-CYBMUJFWSA-N	-1	3	352.419	2.376	20	30		FEEDHM
CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(I)cc1	ZINC000088474170	542751776	/nfs/dbraw/zinc/75/17/76/542751776.db2.gz	KSUAPYTZDZJEJY-SNVBAGLBSA-N	-1	3	350.181	2.335	20	30		FEEDHM
CSc1[n-]c(=O)c(C(=O)NC[C@@H](C)N(C)Cc2ccccc2)cc1C#N	ZINC000111631481	543409632	/nfs/dbraw/zinc/40/96/32/543409632.db2.gz	ORIWJTOETRWOAA-CYBMUJFWSA-N	-1	3	370.478	2.219	20	30		FEEDHM
Cn1cc(N2CC[C@@H](/N=C/c3cc(Br)ccc3[O-])C2=O)cn1	ZINC000117544907	543635539	/nfs/dbraw/zinc/63/55/39/543635539.db2.gz	UUUQOPLDKYEBDG-JYINPYMRSA-N	-1	3	363.215	2.113	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@]1(C#N)CCC[C@@H](C)C1	ZINC000116811942	543617211	/nfs/dbraw/zinc/61/72/11/543617211.db2.gz	FOSFCQKEMGJEMH-LALPHHSUSA-N	-1	3	355.485	2.004	20	30		FEEDHM
N#CCCCCS(=O)(=O)[N-][C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O	ZINC000121764266	543699268	/nfs/dbraw/zinc/69/92/68/543699268.db2.gz	JFVQNTAFALAUGS-AWEZNQCLSA-N	-1	3	373.837	2.198	20	30		FEEDHM
COC(=O)c1sccc1S(=O)(=O)[N-]Cc1cc(C#N)ccc1F	ZINC000122657279	543716394	/nfs/dbraw/zinc/71/63/94/543716394.db2.gz	LMPSBJUIGOTCTK-UHFFFAOYSA-N	-1	3	354.384	2.024	20	30		FEEDHM
Cc1sc(S(=O)(=O)[N-]Cc2ccc(C#N)cc2F)cc1[N+](=O)[O-]	ZINC000123768657	543782101	/nfs/dbraw/zinc/78/21/01/543782101.db2.gz	BLYQBKIOTJROEF-UHFFFAOYSA-N	-1	3	355.372	2.454	20	30		FEEDHM
C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CN1C1CC1	ZINC000124010875	543796216	/nfs/dbraw/zinc/79/62/16/543796216.db2.gz	GCABBARAYGEKBL-ZYHUDNBSSA-N	-1	3	373.400	2.481	20	30		FEEDHM
COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@]1(C#N)CCC[C@@H](C)C1	ZINC000130487761	544153064	/nfs/dbraw/zinc/15/30/64/544153064.db2.gz	XZGGFITZEQLFLY-BZNIZROVSA-N	-1	3	354.403	2.363	20	30		FEEDHM
C=CCCCN(C)C(=O)c1cc(C(C)C)nc2c1c(=O)[n-]c(=O)n2CC	ZINC000135652587	544358396	/nfs/dbraw/zinc/35/83/96/544358396.db2.gz	DVPCYBJWGLXNHE-UHFFFAOYSA-N	-1	3	358.442	2.266	20	30		FEEDHM
C=CCNc1ncc(C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)s1	ZINC000136159136	544367599	/nfs/dbraw/zinc/36/75/99/544367599.db2.gz	VVGYRFVQTCQBEK-UHFFFAOYSA-N	-1	3	372.450	2.045	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]Cc2cnn(-c3ccccc3)c2)c(F)c1	ZINC000151039977	544498257	/nfs/dbraw/zinc/49/82/57/544498257.db2.gz	CAMQTPQKDVBYGL-UHFFFAOYSA-N	-1	3	356.382	2.362	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)C[C@H](O)c1cccs1	ZINC000151269520	544522948	/nfs/dbraw/zinc/52/29/48/544522948.db2.gz	PVCCOHINFYAJLB-BZNIZROVSA-N	-1	3	373.478	2.486	20	30		FEEDHM
CCOC(=O)[C@H](CC)N(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C1CC1	ZINC000189216161	328135336	/nfs/dbraw/zinc/13/53/36/328135336.db2.gz	MMLHWUFUMIPSQW-KRWDZBQOSA-N	-1	3	373.453	2.129	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCN(C)c2ccc(F)cc21	ZINC000081072802	325157738	/nfs/dbraw/zinc/15/77/38/325157738.db2.gz	VHHOONIJOVMZRH-UHFFFAOYSA-N	-1	3	368.412	2.418	20	30		FEEDHM
CCc1nn(Cc2noc(-c3ccccc3[O-])n2)c(=O)c(C#N)c1CC	ZINC000110148068	325684731	/nfs/dbraw/zinc/68/47/31/325684731.db2.gz	NLCICFKZQNPIBQ-UHFFFAOYSA-N	-1	3	351.366	2.044	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCO[C@H](c2ccsc2)C1	ZINC000120767063	326286357	/nfs/dbraw/zinc/28/63/57/326286357.db2.gz	LAXGCBCTZYUNQL-KRWDZBQOSA-N	-1	3	371.462	2.458	20	30		FEEDHM
C[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C[C@H](C)O	ZINC000120826318	326291054	/nfs/dbraw/zinc/29/10/54/326291054.db2.gz	XYMJDBYBIFSTFL-ZJUUUORDSA-N	-1	3	350.362	2.262	20	30		FEEDHM
N#Cc1c(Cl)cccc1S(=O)(=O)[N-]Cc1ccccc1OCCO	ZINC000121655918	326355546	/nfs/dbraw/zinc/35/55/46/326355546.db2.gz	BUJQIZCNYYLESH-UHFFFAOYSA-N	-1	3	366.826	2.061	20	30		FEEDHM
COC(=O)c1ccc(F)c(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1	ZINC000122432895	326396718	/nfs/dbraw/zinc/39/67/18/326396718.db2.gz	YVEFLQGSNVQSBN-UHFFFAOYSA-N	-1	3	371.368	2.360	20	30		FEEDHM
N#Cc1c(Cl)cccc1S(=O)(=O)[N-]Cc1cccc(NC(N)=O)c1	ZINC000123503892	326434094	/nfs/dbraw/zinc/43/40/94/326434094.db2.gz	TZSOXOUBGZOEEY-UHFFFAOYSA-N	-1	3	364.814	2.181	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)C[C@@H](O)c1cccs1	ZINC000151269663	326678423	/nfs/dbraw/zinc/67/84/23/326678423.db2.gz	PVCCOHINFYAJLB-BDJLRTHQSA-N	-1	3	373.478	2.486	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCOc1ccc(Cl)cn1	ZINC000154200516	326753710	/nfs/dbraw/zinc/75/37/10/326753710.db2.gz	SNHVREHJTYCPSJ-UHFFFAOYSA-N	-1	3	374.828	2.040	20	30		FEEDHM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]Cc1cc2ccccc2[nH]1	ZINC000156926519	326848602	/nfs/dbraw/zinc/84/86/02/326848602.db2.gz	CFGJKTLJWPNUOS-UHFFFAOYSA-N	-1	3	356.363	2.426	20	30		FEEDHM
CC(=O)Nc1ccc(CC[N-]S(=O)(=O)c2ccc(F)cc2C#N)cc1	ZINC000157221443	326858802	/nfs/dbraw/zinc/85/88/02/326858802.db2.gz	KTQGAGFOYFXUJQ-UHFFFAOYSA-N	-1	3	361.398	2.177	20	30		FEEDHM
Cc1nc([C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2C)c2ccccc2)n[nH]1	ZINC000172674903	327214197	/nfs/dbraw/zinc/21/41/97/327214197.db2.gz	URDCTXWOWFDOSH-QGZVFWFLSA-N	-1	3	367.434	2.361	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H]1C(=O)OC(C)(C)C	ZINC000177845854	327548744	/nfs/dbraw/zinc/54/87/44/327548744.db2.gz	OJNWHPJNZWGHNT-INIZCTEOSA-N	-1	3	373.453	2.129	20	30		FEEDHM
Cc1cc(F)ccc1N1CCC[C@H]([N-]S(=O)(=O)c2cccnc2C#N)C1	ZINC000331782629	330200512	/nfs/dbraw/zinc/20/05/12/330200512.db2.gz	AZGXCECEUMOQCT-HNNXBMFYSA-N	-1	3	374.441	2.348	20	30		FEEDHM
N#CC(=C([O-])c1ccc(C(=O)NC2CC2)cc1)c1nnc2n1CCCCC2	ZINC000156422485	545626579	/nfs/dbraw/zinc/62/65/79/545626579.db2.gz	HOKLLZBDQOHILO-INIZCTEOSA-N	-1	3	363.421	2.387	20	30		FEEDHM
N#Cc1cc(F)ccc1S(=O)(=O)[N-]Cc1cccc(Cn2cccn2)c1	ZINC000156672479	545646717	/nfs/dbraw/zinc/64/67/17/545646717.db2.gz	ZHJSUWYOVZSLIK-UHFFFAOYSA-N	-1	3	370.409	2.421	20	30		FEEDHM
C=C(C)COCC[N-]S(=O)(=O)c1cc(F)ccc1Br	ZINC000156715672	545651474	/nfs/dbraw/zinc/65/14/74/545651474.db2.gz	BZLPXJVGCVXQQF-UHFFFAOYSA-N	-1	3	352.225	2.459	20	30		FEEDHM
CC(C)c1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1ccc(C#N)cc1F	ZINC000157142717	545705089	/nfs/dbraw/zinc/70/50/89/545705089.db2.gz	NWULGDYYTPUTNW-ZDUSSCGKSA-N	-1	3	363.418	2.226	20	30		FEEDHM
COCC[C@@H]([N-]S(=O)(=O)Cc1ccc(C#N)cc1F)c1ccco1	ZINC000480714661	561215073	/nfs/dbraw/zinc/21/50/73/561215073.db2.gz	ZPFUUOSAWVJRJB-OAHLLOKOSA-N	-1	3	352.387	2.488	20	30		FEEDHM
C[C@@](O)(C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)C1CCCCC1	ZINC000480897870	561219795	/nfs/dbraw/zinc/21/97/95/561219795.db2.gz	MBGGYBWWNXFOHB-MRXNPFEDSA-N	-1	3	367.427	2.076	20	30		FEEDHM
C[C@@]1(c2ccc(C(=O)Nc3ccc(F)c(C#N)c3)cc2)NC(=O)[N-]C1=O	ZINC000177816728	546691486	/nfs/dbraw/zinc/69/14/86/546691486.db2.gz	YFDIBVJEGSFGOF-SFHVURJKSA-N	-1	3	352.325	2.004	20	30		FEEDHM
C=CCOc1ccc(C(=O)NCc2nnc(C(F)(F)F)[n-]2)cc1OC	ZINC000482235715	561250858	/nfs/dbraw/zinc/25/08/58/561250858.db2.gz	DSBFHBCDLMGHRQ-UHFFFAOYSA-N	-1	3	356.304	2.327	20	30		FEEDHM
C=CCOc1ccc(C(=O)NCc2n[n-]c(C(F)(F)F)n2)cc1OC	ZINC000482235715	561250859	/nfs/dbraw/zinc/25/08/59/561250859.db2.gz	DSBFHBCDLMGHRQ-UHFFFAOYSA-N	-1	3	356.304	2.327	20	30		FEEDHM
C=CCOc1ccc(C(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1OC	ZINC000482235715	561250860	/nfs/dbraw/zinc/25/08/60/561250860.db2.gz	DSBFHBCDLMGHRQ-UHFFFAOYSA-N	-1	3	356.304	2.327	20	30		FEEDHM
O=[N+]([O-])c1ccc([O-])c(/C=N/Cc2ccccc2CN2CC[C@H](O)C2)c1	ZINC000180422551	547105569	/nfs/dbraw/zinc/10/55/69/547105569.db2.gz	UCQXEMXEMFTJOM-PQFHHTBUSA-N	-1	3	355.394	2.486	20	30		FEEDHM
C=CCCC[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O	ZINC000180854964	547194765	/nfs/dbraw/zinc/19/47/65/547194765.db2.gz	FJTMVMRQIOHTJH-LLVKDONJSA-N	-1	3	360.863	2.227	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc2c(c1)N(C)CC2	ZINC000181992161	547418362	/nfs/dbraw/zinc/41/83/62/547418362.db2.gz	QEINEGYOGKFRIL-UHFFFAOYSA-N	-1	3	350.422	2.427	20	30		FEEDHM
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@]1(C#N)CCC[C@@H](C)C1	ZINC000182013595	547422226	/nfs/dbraw/zinc/42/22/26/547422226.db2.gz	ODSRUMIMZSHIAP-ABAIWWIYSA-N	-1	3	353.400	2.354	20	30		FEEDHM
Cc1nn(C)c(C)c1C[C@H](C)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl	ZINC000184929249	547902522	/nfs/dbraw/zinc/90/25/22/547902522.db2.gz	FIJGIXPNDYBMLT-JTQLQIEISA-N	-1	3	366.874	2.472	20	30		FEEDHM
COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@]1(C#N)CCC[C@H](C)C1	ZINC000186580006	548154525	/nfs/dbraw/zinc/15/45/25/548154525.db2.gz	QVQQPGZVTZFIFZ-ZBEGNZNMSA-N	-1	3	354.403	2.363	20	30		FEEDHM
COC[C@@H]([N-]S(=O)(=O)c1cccnc1C#N)c1ccc(Cl)cc1	ZINC000487385391	561368841	/nfs/dbraw/zinc/36/88/41/561368841.db2.gz	CERIQHDTBWFDIG-CQSZACIVSA-N	-1	3	351.815	2.273	20	30		FEEDHM
C[C@@H](c1ccccc1)[C@H]([N-]S(=O)(=O)CC1(C#N)CCCCC1)C(N)=O	ZINC000490103131	561426665	/nfs/dbraw/zinc/42/66/65/561426665.db2.gz	MHLOOCPSOPKMDA-HOCLYGCPSA-N	-1	3	363.483	2.037	20	30		FEEDHM
CCCn1c(=O)[n-]c(=O)c2c(C(=O)N[C@H](C#N)C(C)C)cc(C(C)C)nc21	ZINC000264657617	549999765	/nfs/dbraw/zinc/99/97/65/549999765.db2.gz	UQOGHGOLJBSUHZ-CQSZACIVSA-N	-1	3	371.441	2.308	20	30		FEEDHM
COCC[S@@](=O)Cc1cccc(/N=C/c2c([O-])c(C)ncc2CO)c1	ZINC000265281831	550008216	/nfs/dbraw/zinc/00/82/16/550008216.db2.gz	OZKSVFPRXLNPKA-HYVVJVNOSA-N	-1	3	362.451	2.234	20	30		FEEDHM
C=CCn1c(SCCCOC([O-])=NC(N)=O)nnc1-c1ccccc1	ZINC000269267695	550174434	/nfs/dbraw/zinc/17/44/34/550174434.db2.gz	CFJSEJQRNAPIGO-UHFFFAOYSA-N	-1	3	361.427	2.418	20	30		FEEDHM
C=CCn1c(SCCCOC(=O)N=C(N)[O-])nnc1-c1ccccc1	ZINC000269267695	550174435	/nfs/dbraw/zinc/17/44/35/550174435.db2.gz	CFJSEJQRNAPIGO-UHFFFAOYSA-N	-1	3	361.427	2.418	20	30		FEEDHM
C=CCn1c(SCCCOC(=O)[N-]C(N)=O)nnc1-c1ccccc1	ZINC000269267695	550174438	/nfs/dbraw/zinc/17/44/38/550174438.db2.gz	CFJSEJQRNAPIGO-UHFFFAOYSA-N	-1	3	361.427	2.418	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](CO)Cc1ccc(F)cc1	ZINC000271115014	550341760	/nfs/dbraw/zinc/34/17/60/550341760.db2.gz	MYQJFHYOYHDAJK-MRXNPFEDSA-N	-1	3	371.412	2.067	20	30		FEEDHM
N#Cc1ccc(OC2CCC(NC(=O)c3ccc(O)cc3[O-])CC2)nc1	ZINC000271177665	550349067	/nfs/dbraw/zinc/34/90/67/550349067.db2.gz	XKDKIVOESMHRFD-UHFFFAOYSA-N	-1	3	353.378	2.484	20	30		FEEDHM
CC[C@@H](CC#N)[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1	ZINC000273961785	550517375	/nfs/dbraw/zinc/51/73/75/550517375.db2.gz	OWMGCMIUHYWOAB-VIFPVBQESA-N	-1	3	362.205	2.328	20	30		FEEDHM
Cn1ncc2c1CCC[C@@H]2[N-]S(=O)(=O)c1cc(C#N)ccc1Cl	ZINC000274606989	550545905	/nfs/dbraw/zinc/54/59/05/550545905.db2.gz	GMPMKSRGFKWLQE-ZDUSSCGKSA-N	-1	3	350.831	2.301	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1	ZINC000279465643	550893556	/nfs/dbraw/zinc/89/35/56/550893556.db2.gz	WJOVPAMPUMSTEX-LCMPSIMXSA-N	-1	3	373.453	2.003	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-][C@H](CO)CC2CCC2)c(C(F)(F)F)c1	ZINC000280330494	550981506	/nfs/dbraw/zinc/98/15/06/550981506.db2.gz	UTIGKPPVLSLHOM-LBPRGKRZSA-N	-1	3	362.373	2.406	20	30		FEEDHM
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC1CCC(C#N)CC1	ZINC000282682368	551259200	/nfs/dbraw/zinc/25/92/00/551259200.db2.gz	WUATZZLIDVNSHJ-UHFFFAOYSA-N	-1	3	353.400	2.212	20	30		FEEDHM
C[C@H](CC#N)N(C)S(=O)(=O)[N-][C@@H](C)c1nc(-c2cccc(F)c2)no1	ZINC000283046319	551302815	/nfs/dbraw/zinc/30/28/15/551302815.db2.gz	RVTZMMVUTNEPIZ-MNOVXSKESA-N	-1	3	367.406	2.005	20	30		FEEDHM
CC(C)NC(=O)Nc1ccc(C[N-]S(=O)(=O)c2ccc(C#N)o2)cc1	ZINC000286767351	551923798	/nfs/dbraw/zinc/92/37/98/551923798.db2.gz	WANMZLRWYIUZJK-UHFFFAOYSA-N	-1	3	362.411	2.160	20	30		FEEDHM
C#C[C@@H]([N-]S(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl)C(C)(C)C	ZINC000287329724	551990338	/nfs/dbraw/zinc/99/03/38/551990338.db2.gz	GFEFXEGMUJBQLS-CYBMUJFWSA-N	-1	3	363.888	2.070	20	30		FEEDHM
CN(C)C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)o1)c1ccc(Cl)cc1	ZINC000287375095	551995925	/nfs/dbraw/zinc/99/59/25/551995925.db2.gz	NDLHLUMGJJGPAY-CQSZACIVSA-N	-1	3	353.831	2.386	20	30		FEEDHM
C[C@H]1CCN(C[C@@H](O)c2ccc(C#N)cc2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F	ZINC000287441837	552004762	/nfs/dbraw/zinc/00/47/62/552004762.db2.gz	QEGSRGDZLANDAB-RKLWJJNISA-N	-1	3	369.387	2.369	20	30		FEEDHM
C=CC[C@H](C(=O)N1CCC[C@H]1C[C@]1(C)NC(=O)[N-]C1=O)c1ccccc1	ZINC000287930390	552064502	/nfs/dbraw/zinc/06/45/02/552064502.db2.gz	QTUCKJLXRQFEGT-FTRWYGJKSA-N	-1	3	355.438	2.326	20	30		FEEDHM
C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(Br)c2C#N)CCO1	ZINC000287944248	552066316	/nfs/dbraw/zinc/06/63/16/552066316.db2.gz	WAVVHVWLIZICFO-ZJUUUORDSA-N	-1	3	359.245	2.167	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)c1cccc(Br)c1C#N)[C@H]1CCOC1	ZINC000288236974	552116415	/nfs/dbraw/zinc/11/64/15/552116415.db2.gz	SFIDAWGDWHVEMD-UWVGGRQHSA-N	-1	3	359.245	2.024	20	30		FEEDHM
O=c1nc([C@H]2CCCN(CC#Cc3ccc(OC(F)(F)F)cc3)C2)[nH][n-]1	ZINC000289458440	552324695	/nfs/dbraw/zinc/32/46/95/552324695.db2.gz	PVGCTHCWNAKWBX-ZDUSSCGKSA-N	-1	3	366.343	2.228	20	30		FEEDHM
N#Cc1cccc(OCCN2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c1	ZINC000289472478	552327116	/nfs/dbraw/zinc/32/71/16/552327116.db2.gz	NGVUYQJKDKUJSO-AWEZNQCLSA-N	-1	3	355.360	2.328	20	30		FEEDHM
C#Cc1ccccc1CC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1	ZINC000290315810	552459016	/nfs/dbraw/zinc/45/90/16/552459016.db2.gz	HSMLZWOXQGCGDN-ZDUSSCGKSA-N	-1	3	352.356	2.128	20	30		FEEDHM
COC(=O)C1(CS(=O)(=O)[N-]c2cccc(OCC#N)c2)CCCC1	ZINC000290514086	552491010	/nfs/dbraw/zinc/49/10/10/552491010.db2.gz	IQZOOVQAOXAUNJ-UHFFFAOYSA-N	-1	3	352.412	2.064	20	30		FEEDHM
COC[C@]1(C/N=C\c2c([O-])c(C)ncc2CO)OCCc2ccccc21	ZINC000290621788	552508396	/nfs/dbraw/zinc/50/83/96/552508396.db2.gz	UITPVBOIZOYAEG-VFCVOOQNSA-N	-1	3	356.422	2.121	20	30		FEEDHM
Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@]2(C#N)CC2(C)C)c1	ZINC000292605186	552742272	/nfs/dbraw/zinc/74/22/72/552742272.db2.gz	XAZBTJZPAXJFPC-SFHVURJKSA-N	-1	3	354.366	2.363	20	30		FEEDHM
C=CCC(F)(F)C(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1	ZINC000293169685	552795469	/nfs/dbraw/zinc/79/54/69/552795469.db2.gz	VAPXHZHCCZWXPB-UHFFFAOYSA-N	-1	3	364.439	2.229	20	30		FEEDHM
CCOC(=O)c1nnc(C2CCN(C(=O)[C@]3(C#N)CC34CCCC4)CC2)[n-]1	ZINC000295619436	553034554	/nfs/dbraw/zinc/03/45/54/553034554.db2.gz	OITOGKQOOXUHKI-LJQANCHMSA-N	-1	3	371.441	2.161	20	30		FEEDHM
CCOC(=O)c1nc(C2CCN(C(=O)[C@]3(C#N)CC34CCCC4)CC2)n[n-]1	ZINC000295619436	553034556	/nfs/dbraw/zinc/03/45/56/553034556.db2.gz	OITOGKQOOXUHKI-LJQANCHMSA-N	-1	3	371.441	2.161	20	30		FEEDHM
CO[C@@H](C)c1nc(C[N-]S(=O)(=O)Cc2ccc(F)cc2C#N)cs1	ZINC000296042773	553094819	/nfs/dbraw/zinc/09/48/19/553094819.db2.gz	ARAUCLDZTNBQCK-JTQLQIEISA-N	-1	3	369.443	2.481	20	30		FEEDHM
CC(C)(CC#N)CS(=O)(=O)[N-][C@@H]1CCN(c2ccccc2Cl)C1=O	ZINC000296765701	553208687	/nfs/dbraw/zinc/20/86/87/553208687.db2.gz	PMKVVBSFWZCVHI-CYBMUJFWSA-N	-1	3	369.874	2.305	20	30		FEEDHM
Cc1ccc([C@@H](C/N=C/c2c([O-])c(C)ncc2CO)N2CCOCC2)cc1	ZINC000298771968	553470983	/nfs/dbraw/zinc/47/09/83/553470983.db2.gz	ISTHTOVWIKWREK-XLKWYTADSA-N	-1	3	369.465	2.389	20	30		FEEDHM
Cc1ccc([C@H](C/N=C/c2c([O-])c(C)ncc2CO)N2CCOCC2)cc1	ZINC000298771966	553471002	/nfs/dbraw/zinc/47/10/02/553471002.db2.gz	ISTHTOVWIKWREK-CNSRZQHFSA-N	-1	3	369.465	2.389	20	30		FEEDHM
CC[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)[C@@H](O)C(F)(F)F	ZINC000503774991	561648132	/nfs/dbraw/zinc/64/81/32/561648132.db2.gz	PLZPTTQPIFAAFE-GXSJLCMTSA-N	-1	3	356.753	2.192	20	30		FEEDHM
C[C@H](CC#N)N(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1	ZINC000505140937	561666731	/nfs/dbraw/zinc/66/67/31/561666731.db2.gz	FTIQQDFLMOGPOO-LLVKDONJSA-N	-1	3	364.402	2.329	20	30		FEEDHM
Cc1noc([C@H](NC(=O)c2cc(F)cc3nn[n-]c32)C2CCOCC2)n1	ZINC000328641748	553800765	/nfs/dbraw/zinc/80/07/65/553800765.db2.gz	DIWHFGINPZECHR-CYBMUJFWSA-N	-1	3	360.349	2.261	20	30		FEEDHM
Cc1noc([C@H](NC(=O)c2cc(F)cc3[n-]nnc32)C2CCOCC2)n1	ZINC000328641748	553800767	/nfs/dbraw/zinc/80/07/67/553800767.db2.gz	DIWHFGINPZECHR-CYBMUJFWSA-N	-1	3	360.349	2.261	20	30		FEEDHM
Cc1noc([C@H](NC(=O)c2cc(F)cc3n[n-]nc32)C2CCOCC2)n1	ZINC000328641748	553800768	/nfs/dbraw/zinc/80/07/68/553800768.db2.gz	DIWHFGINPZECHR-CYBMUJFWSA-N	-1	3	360.349	2.261	20	30		FEEDHM
CCn1c(=O)[n-]c(=O)c2c(C(=O)NCC3CCOCC3)cc(C3CC3)nc21	ZINC000329531110	553962988	/nfs/dbraw/zinc/96/29/88/553962988.db2.gz	JEPOAVHCYNVTGD-UHFFFAOYSA-N	-1	3	372.425	2.126	20	30		FEEDHM
C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)c1	ZINC000330144569	554073736	/nfs/dbraw/zinc/07/37/36/554073736.db2.gz	RSZIOGHANCPPBT-DDTOSNHZSA-N	-1	3	356.382	2.147	20	30		FEEDHM
C[C@@H](C#N)CN(C)S(=O)(=O)[N-][C@H](C)c1nc(C2CCCCC2)no1	ZINC000330381637	554113802	/nfs/dbraw/zinc/11/38/02/554113802.db2.gz	IJNYOVALFFGQOB-NWDGAFQWSA-N	-1	3	355.464	2.104	20	30		FEEDHM
COc1ccc(Br)c(S(=O)(=O)[N-][C@H]2CCC[C@H]2C#N)c1	ZINC000331114234	554215641	/nfs/dbraw/zinc/21/56/41/554215641.db2.gz	JXMAXDJUVLNOHU-CABZTGNLSA-N	-1	3	359.245	2.428	20	30		FEEDHM
CN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)N=c1[n-]n(C)cc1C#N	ZINC000610565346	554530693	/nfs/dbraw/zinc/53/06/93/554530693.db2.gz	SHFYACDKOWUVIN-INIZCTEOSA-N	-1	3	352.442	2.278	20	30		FEEDHM
Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NCC#Cc1ccccc1	ZINC000510910414	561850513	/nfs/dbraw/zinc/85/05/13/561850513.db2.gz	BORKSNRFYSWUPT-UHFFFAOYSA-N	-1	3	372.428	2.241	20	30		FEEDHM
Cn1ccnc1[C@H]([N-]S(=O)(=O)c1ccc(C#N)o1)c1ccccc1F	ZINC000367807058	556143883	/nfs/dbraw/zinc/14/38/83/556143883.db2.gz	SBPVHINPZNPKMJ-OAHLLOKOSA-N	-1	3	360.370	2.092	20	30		FEEDHM
COC(=O)c1c(F)ccc([N-]S(=O)(=O)c2cccc(C#N)c2)c1F	ZINC000514979336	561989784	/nfs/dbraw/zinc/98/97/84/561989784.db2.gz	CVNYCCOZQSQORF-UHFFFAOYSA-N	-1	3	352.318	2.424	20	30		FEEDHM
Cc1nn(Cc2ccccc2)c(C)c1C[N-]S(=O)(=O)c1ccc(C#N)o1	ZINC000516102410	562030863	/nfs/dbraw/zinc/03/08/63/562030863.db2.gz	GYQYGGNGBFVSSY-UHFFFAOYSA-N	-1	3	370.434	2.491	20	30		FEEDHM
C=CCCCCC[N-]S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O	ZINC000516584346	562049462	/nfs/dbraw/zinc/04/94/62/562049462.db2.gz	WMYYAHPGFRUKDC-UHFFFAOYSA-N	-1	3	360.863	2.229	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]Cc2ccccc2Cn2ccnc2)c(F)c1	ZINC000517439118	562090305	/nfs/dbraw/zinc/09/03/05/562090305.db2.gz	OBSSQFYTTIRINS-UHFFFAOYSA-N	-1	3	370.409	2.421	20	30		FEEDHM
CC(C)(CCC#N)CN1CCC[C@H](c2n[nH]cc2[N-]S(C)(=O)=O)C1	ZINC000371607770	557237970	/nfs/dbraw/zinc/23/79/70/557237970.db2.gz	ORLVSKZOGORXOK-ZDUSSCGKSA-N	-1	3	353.492	2.291	20	30		FEEDHM
CC(C)c1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1ccc(C#N)s1	ZINC000373825920	557767673	/nfs/dbraw/zinc/76/76/73/557767673.db2.gz	VUJPOXPQABRUAM-NSHDSACASA-N	-1	3	351.457	2.148	20	30		FEEDHM
C=CC[C@@H](CC)NC(=O)N1CCC[C@@H](c2n[nH]cc2[N-]S(C)(=O)=O)C1	ZINC000374279230	557857034	/nfs/dbraw/zinc/85/70/34/557857034.db2.gz	JNLDYWUNVFFQRS-CHWSQXEVSA-N	-1	3	369.491	2.025	20	30		FEEDHM
C=CC[C@@H](CC)NC(=O)N1CCC[C@@H](c2[nH]ncc2[N-]S(C)(=O)=O)C1	ZINC000374279230	557857037	/nfs/dbraw/zinc/85/70/37/557857037.db2.gz	JNLDYWUNVFFQRS-CHWSQXEVSA-N	-1	3	369.491	2.025	20	30		FEEDHM
COCCOc1ccc(C#N)cc1NC(=O)c1cc(=O)[n-]c(C2CC2)n1	ZINC000521268811	562173364	/nfs/dbraw/zinc/17/33/64/562173364.db2.gz	MJKQCFDFCRBKHB-UHFFFAOYSA-N	-1	3	354.366	2.209	20	30		FEEDHM
C#CCCCS(=O)(=O)[N-][C@H]1CCCN(c2ccccc2Cl)C1=O	ZINC000376365179	558163687	/nfs/dbraw/zinc/16/36/87/558163687.db2.gz	LWMCGDGJHZTNOC-AWEZNQCLSA-N	-1	3	354.859	2.168	20	30		FEEDHM
COCCn1cc2c(n1)[C@@H]([N-]S(=O)(=O)c1cccc(C)c1C#N)CCC2	ZINC000377410947	558335064	/nfs/dbraw/zinc/33/50/64/558335064.db2.gz	KRHUGVZTRPOXMY-INIZCTEOSA-N	-1	3	374.466	2.066	20	30		FEEDHM
N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)Nc3ccccc3[O-])C2=O)cc1	ZINC000523674676	562217523	/nfs/dbraw/zinc/21/75/23/562217523.db2.gz	KYXDZGBHXVMOPY-OAHLLOKOSA-N	-1	3	364.361	2.108	20	30		FEEDHM
COc1cccc([C@H](C[N-]S(=O)(=O)c2ccc(C#N)s2)N(C)C)c1	ZINC000392245334	558616759	/nfs/dbraw/zinc/61/67/59/558616759.db2.gz	CXGYTZKPPIGODH-HNNXBMFYSA-N	-1	3	365.480	2.210	20	30		FEEDHM
N#Cc1ccc(N2CCC[C@H](NC(=O)c3cccc4nn[n-]c43)C2)c(F)c1	ZINC000525866219	562257867	/nfs/dbraw/zinc/25/78/67/562257867.db2.gz	JDSIFMXPUBOXMQ-ZDUSSCGKSA-N	-1	3	364.384	2.367	20	30		FEEDHM
N#Cc1ccc(N2CCC[C@H](NC(=O)c3cccc4[n-]nnc43)C2)c(F)c1	ZINC000525866219	562257868	/nfs/dbraw/zinc/25/78/68/562257868.db2.gz	JDSIFMXPUBOXMQ-ZDUSSCGKSA-N	-1	3	364.384	2.367	20	30		FEEDHM
N#Cc1ccc(N2CCC[C@H](NC(=O)c3cccc4n[n-]nc43)C2)c(F)c1	ZINC000525866219	562257869	/nfs/dbraw/zinc/25/78/69/562257869.db2.gz	JDSIFMXPUBOXMQ-ZDUSSCGKSA-N	-1	3	364.384	2.367	20	30		FEEDHM
N#CC(=C([O-])c1cccc(C(=O)NC2CC2)c1)c1nnc2n1CCCCC2	ZINC000525890629	562258785	/nfs/dbraw/zinc/25/87/85/562258785.db2.gz	UUIKPXJNRZWNPM-INIZCTEOSA-N	-1	3	363.421	2.387	20	30		FEEDHM
C=CC[C@H](Cc1ccccc1)NC(=O)c1cc(S(=O)(=O)[N-]C)oc1C	ZINC000412845148	559058713	/nfs/dbraw/zinc/05/87/13/559058713.db2.gz	VHAILGHXROWEFO-OAHLLOKOSA-N	-1	3	362.451	2.413	20	30		FEEDHM
CCn1c(=O)[n-]c(=O)c2c(C(=O)NCC3(C#N)CCC3)cc(C(C)C)nc21	ZINC000416359617	559307421	/nfs/dbraw/zinc/30/74/21/559307421.db2.gz	QSCHDUXDYHVIMC-UHFFFAOYSA-N	-1	3	369.425	2.064	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1C#N)[C@@H]1CCOC1	ZINC000416408375	559310818	/nfs/dbraw/zinc/31/08/18/559310818.db2.gz	PPIYBQINMQVJHL-MWLCHTKSSA-N	-1	3	359.245	2.024	20	30		FEEDHM
CO[C@@H](C[N-]S(=O)(=O)c1cc(Br)ccc1C#N)C(C)C	ZINC000416415477	559311362	/nfs/dbraw/zinc/31/13/62/559311362.db2.gz	JUPNQPOCNBKXNN-LBPRGKRZSA-N	-1	3	361.261	2.270	20	30		FEEDHM
C=CC[C@H](CO)C[N-]S(=O)(=O)c1cc(C)c(Br)cc1F	ZINC000416460111	559314557	/nfs/dbraw/zinc/31/45/57/559314557.db2.gz	USQCVFOZMDYWOD-JTQLQIEISA-N	-1	3	366.252	2.360	20	30		FEEDHM
C[C@@H](O)C[C@@H](C)C[N-]S(=O)(=O)c1cc(Br)ccc1C#N	ZINC000416457907	559314428	/nfs/dbraw/zinc/31/44/28/559314428.db2.gz	IGSICJOTCDKKEL-NXEZZACHSA-N	-1	3	361.261	2.006	20	30		FEEDHM
C[C@H](CCO)CC[N-]S(=O)(=O)c1cc(Br)ccc1C#N	ZINC000416489923	559317031	/nfs/dbraw/zinc/31/70/31/559317031.db2.gz	RRPPWNHUCDBMFY-JTQLQIEISA-N	-1	3	361.261	2.008	20	30		FEEDHM
N#CCC1(C[N-]S(=O)(=O)c2cc(Br)ccc2C#N)CC1	ZINC000416522061	559319630	/nfs/dbraw/zinc/31/96/30/559319630.db2.gz	IUUSKZGWPXQPIE-UHFFFAOYSA-N	-1	3	354.229	2.293	20	30		FEEDHM
N#Cc1ccc(Br)cc1S(=O)(=O)[N-][C@H](CO)CC1CCC1	ZINC000416530912	559320090	/nfs/dbraw/zinc/32/00/90/559320090.db2.gz	UAPAKXHZOJMVQS-ZDUSSCGKSA-N	-1	3	373.272	2.150	20	30		FEEDHM
C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cccc(Cl)c1C(=O)OC	ZINC000416530624	559320104	/nfs/dbraw/zinc/32/01/04/559320104.db2.gz	SPHDVTLBCDYYIA-IAQYHMDHSA-N	-1	3	373.858	2.386	20	30		FEEDHM
C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cccc(Br)c1C#N	ZINC000425177166	559689759	/nfs/dbraw/zinc/68/97/59/559689759.db2.gz	DYCRDAQNUBPVSA-GWCFXTLKSA-N	-1	3	371.256	2.190	20	30		FEEDHM
CCOC(=O)c1nc(C2CCN(c3ncc4c(c3C#N)CCC4)CC2)n[n-]1	ZINC000425259915	559693758	/nfs/dbraw/zinc/69/37/58/559693758.db2.gz	NAIVZVKFKKDZDJ-UHFFFAOYSA-N	-1	3	366.425	2.121	20	30		FEEDHM
CCOC(=O)c1nnc(C2CCN(c3ncc4c(c3C#N)CCC4)CC2)[n-]1	ZINC000425259915	559693759	/nfs/dbraw/zinc/69/37/59/559693759.db2.gz	NAIVZVKFKKDZDJ-UHFFFAOYSA-N	-1	3	366.425	2.121	20	30		FEEDHM
CCOC(=O)c1n[n-]c(C2CCN(c3ncc4c(c3C#N)CCC4)CC2)n1	ZINC000425259915	559693760	/nfs/dbraw/zinc/69/37/60/559693760.db2.gz	NAIVZVKFKKDZDJ-UHFFFAOYSA-N	-1	3	366.425	2.121	20	30		FEEDHM
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)CNC(=O)c1cccc([O-])c1	ZINC000427241881	559751213	/nfs/dbraw/zinc/75/12/13/559751213.db2.gz	FYTDCSRGISWIOG-RTBURBONSA-N	-1	3	363.417	2.420	20	30		FEEDHM
COc1ccc(CC[N-]S(=O)(=O)c2cccnc2C#N)c(Cl)c1	ZINC000428369697	559774042	/nfs/dbraw/zinc/77/40/42/559774042.db2.gz	JZASOSWPMKYAPS-UHFFFAOYSA-N	-1	3	351.815	2.136	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-]CCOc1ncc(Cl)cc1Cl	ZINC000428391011	559774576	/nfs/dbraw/zinc/77/45/76/559774576.db2.gz	POBNTAGBYBYDHL-UHFFFAOYSA-N	-1	3	373.221	2.012	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-]CCc1ccccc1OC(F)F	ZINC000428396171	559774641	/nfs/dbraw/zinc/77/46/41/559774641.db2.gz	DJSFYBNDRYPXIM-UHFFFAOYSA-N	-1	3	353.350	2.076	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)c1cccnc1C#N)c1ccc(-n2cccn2)cc1	ZINC000428419532	559775172	/nfs/dbraw/zinc/77/51/72/559775172.db2.gz	MTLRXERMPOUFFC-CYBMUJFWSA-N	-1	3	353.407	2.178	20	30		FEEDHM
CCn1cc([C@H]2OCCC[C@@H]2[N-]S(=O)(=O)CC2(C#N)CCCC2)cn1	ZINC000431721156	559844712	/nfs/dbraw/zinc/84/47/12/559844712.db2.gz	CLXNQZZAJAWZCS-JKSUJKDBSA-N	-1	3	366.487	2.126	20	30		FEEDHM
C=CCC(C)(C)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC	ZINC000432291544	559855632	/nfs/dbraw/zinc/85/56/32/559855632.db2.gz	LFCQILOKLCYALX-UHFFFAOYSA-N	-1	3	356.400	2.262	20	30		FEEDHM
Cc1c(C#N)cccc1NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1	ZINC000433331860	559877329	/nfs/dbraw/zinc/87/73/29/559877329.db2.gz	PVAMWYMXBNPQPT-UHFFFAOYSA-N	-1	3	369.855	2.499	20	30		FEEDHM
CC(=O)Nc1ccc(C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)cn1	ZINC000433357838	559878327	/nfs/dbraw/zinc/87/83/27/559878327.db2.gz	ZMGBIOSBHBDANB-UHFFFAOYSA-N	-1	3	364.814	2.044	20	30		FEEDHM
CCC(CC)[C@H](C[N-]S(=O)(=O)c1ccc(C#N)s1)N1CCOCC1	ZINC000435435543	559923023	/nfs/dbraw/zinc/92/30/23/559923023.db2.gz	YLHSYBAMDPFWML-HNNXBMFYSA-N	-1	3	371.528	2.035	20	30		FEEDHM
C=C(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1ccc(Br)cn1	ZINC000435599601	559925790	/nfs/dbraw/zinc/92/57/90/559925790.db2.gz	XJEBBEFNFGZKRM-MFKMUULPSA-N	-1	3	361.261	2.104	20	30		FEEDHM
C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-]	ZINC000435601307	559925964	/nfs/dbraw/zinc/92/59/64/559925964.db2.gz	LJSJIBGCVJEFGZ-UKRRQHHQSA-N	-1	3	354.428	2.471	20	30		FEEDHM
C=CCCO[C@@H](C)C(=O)N=c1[nH][n-]c(C)c1-c1ccc2c(c1)OCCO2	ZINC000435713197	559928661	/nfs/dbraw/zinc/92/86/61/559928661.db2.gz	JNZRNQADRAVXEQ-ZDUSSCGKSA-N	-1	3	357.410	3.076	20	30		FEEDHM
COc1cccc(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)c1[O-]	ZINC000436659067	559947913	/nfs/dbraw/zinc/94/79/13/559947913.db2.gz	NQRHCMVJYXXBHR-UHFFFAOYSA-N	-1	3	352.325	2.850	20	30		FEEDHM
C[C@@H](C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)N1CCCC[C@@H]1C	ZINC000443104694	560070641	/nfs/dbraw/zinc/07/06/41/560070641.db2.gz	NYSBTDHISMEYOJ-STQMWFEESA-N	-1	3	366.443	2.008	20	30		FEEDHM
O=S(=O)([N-]C[C@@H](O)C(F)(F)F)c1ccc(F)c(C(F)(F)F)c1	ZINC000443133476	560072002	/nfs/dbraw/zinc/07/20/02/560072002.db2.gz	NJRXYFANUQAVOJ-MRVPVSSYSA-N	-1	3	355.231	2.046	20	30		FEEDHM
CO[C@H](C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1ccccc1	ZINC000443314539	560079304	/nfs/dbraw/zinc/07/93/04/560079304.db2.gz	AZMONTZGGMIIFK-OAHLLOKOSA-N	-1	3	361.379	2.132	20	30		FEEDHM
Cc1ccc2[nH]c(C[N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3C#N)nc2c1	ZINC000443331343	560080143	/nfs/dbraw/zinc/08/01/43/560080143.db2.gz	DITOQOLVNWSJLM-UHFFFAOYSA-N	-1	3	371.378	2.130	20	30		FEEDHM
Cc1ccc2nc(C[N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3C#N)[nH]c2c1	ZINC000443331343	560080144	/nfs/dbraw/zinc/08/01/44/560080144.db2.gz	DITOQOLVNWSJLM-UHFFFAOYSA-N	-1	3	371.378	2.130	20	30		FEEDHM
O=C([N-]CC(F)(F)F)C(=O)N[C@@H](c1cccc(F)c1F)C(F)(F)F	ZINC000444365779	560111732	/nfs/dbraw/zinc/11/17/32/560111732.db2.gz	CRZWLAHIGFSREW-QMMMGPOBSA-N	-1	3	364.192	2.363	20	30		FEEDHM
N#Cc1ccc(F)c(CS(=O)(=O)[N-][C@H](c2nc[nH]n2)c2ccccc2)c1	ZINC000445761497	560134899	/nfs/dbraw/zinc/13/48/99/560134899.db2.gz	ZUPVYCCQCYRISH-INIZCTEOSA-N	-1	3	371.397	2.024	20	30		FEEDHM
COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C#N)C2CCCCC2)cc1F	ZINC000446787691	560151710	/nfs/dbraw/zinc/15/17/10/560151710.db2.gz	URHWNOXBXFWQAA-OAHLLOKOSA-N	-1	3	354.403	2.363	20	30		FEEDHM
CCOC(=O)c1nnc(-c2cccc(CNC(=O)C3(C#N)CCCC3)c2)[n-]1	ZINC000447671659	560166305	/nfs/dbraw/zinc/16/63/05/560166305.db2.gz	NEVKNLMANNWGRQ-UHFFFAOYSA-N	-1	3	367.409	2.349	20	30		FEEDHM
CCOC(=O)c1nc(-c2cccc(CNC(=O)C3(C#N)CCCC3)c2)n[n-]1	ZINC000447671659	560166306	/nfs/dbraw/zinc/16/63/06/560166306.db2.gz	NEVKNLMANNWGRQ-UHFFFAOYSA-N	-1	3	367.409	2.349	20	30		FEEDHM
COCc1nc(C[N-]S(=O)(=O)c2ccc(CC#N)cc2Cl)cs1	ZINC000451565375	560315157	/nfs/dbraw/zinc/31/51/57/560315157.db2.gz	HXPLGTHBXDBRTN-UHFFFAOYSA-N	-1	3	371.871	2.487	20	30		FEEDHM
CC[C@H](COCC(F)(F)F)[N-]S(=O)(=O)c1ccc(F)cc1C#N	ZINC000451654491	560319857	/nfs/dbraw/zinc/31/98/57/560319857.db2.gz	OMRRLYGYZKYYGI-LLVKDONJSA-N	-1	3	354.325	2.333	20	30		FEEDHM
CCOC(=O)[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(F)cc1C#N	ZINC000451836555	560331590	/nfs/dbraw/zinc/33/15/90/560331590.db2.gz	IDQSLIICLKBFGK-KGLIPLIRSA-N	-1	3	354.403	2.098	20	30		FEEDHM
N#Cc1cccc([N+](=O)[O-])c1CN1CCN(C(=O)c2ccccc2[O-])CC1	ZINC000459387561	560683699	/nfs/dbraw/zinc/68/36/99/560683699.db2.gz	ZQPXECXOMCLSFW-UHFFFAOYSA-N	-1	3	366.377	2.130	20	30		FEEDHM
COc1ccccc1C(=O)C[N-]S(=O)(=O)c1cccc(Cl)c1C#N	ZINC000464182554	560834852	/nfs/dbraw/zinc/83/48/52/560834852.db2.gz	FFFDGNAAFGXDQB-UHFFFAOYSA-N	-1	3	364.810	2.381	20	30		FEEDHM
CO[C@H](CC[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1)C(F)(F)F	ZINC000468903790	560941819	/nfs/dbraw/zinc/94/18/19/560941819.db2.gz	IXSYFJPYEZZHFS-LLVKDONJSA-N	-1	3	356.753	2.457	20	30		FEEDHM
CO[C@H](CC[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)C(F)(F)F	ZINC000469066337	560946270	/nfs/dbraw/zinc/94/62/70/560946270.db2.gz	UFQJXRKYWRXOAS-LLVKDONJSA-N	-1	3	356.753	2.457	20	30		FEEDHM
C[C@@H](C#N)CN(C)C(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1	ZINC000471854875	561013105	/nfs/dbraw/zinc/01/31/05/561013105.db2.gz	DCDKONGWNKCNHV-VIFPVBQESA-N	-1	3	363.361	2.309	20	30		FEEDHM
C[C@H](CC#N)N(C)C(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1	ZINC000472027678	561016380	/nfs/dbraw/zinc/01/63/80/561016380.db2.gz	AOZAITPWDMLDKJ-SECBINFHSA-N	-1	3	363.361	2.451	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]CCOCC(F)F)c(C(F)(F)F)c1	ZINC000472207086	561021038	/nfs/dbraw/zinc/02/10/38/561021038.db2.gz	OPJQBZLBDKNVIP-UHFFFAOYSA-N	-1	3	358.288	2.137	20	30		FEEDHM
CC(C)c1nc([C@H](C)[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)n[nH]1	ZINC000476506294	561121202	/nfs/dbraw/zinc/12/12/02/561121202.db2.gz	GHILQWWEXGVRBW-VIFPVBQESA-N	-1	3	353.835	2.493	20	30		FEEDHM
C=CCc1cccc(C(C)C)c1NC(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1	ZINC000530553008	562415655	/nfs/dbraw/zinc/41/56/55/562415655.db2.gz	DSHQXGASYYZISA-HNNXBMFYSA-N	-1	3	356.426	2.306	20	30		FEEDHM
Cc1ncc(CNC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)c(=O)[n-]1	ZINC000541344581	562609743	/nfs/dbraw/zinc/60/97/43/562609743.db2.gz	ZGEKFICEOPNREM-UHFFFAOYSA-N	-1	3	364.327	2.360	20	30		FEEDHM
C[C@H]1CCC[C@](C#N)([N-]S(=O)(=O)c2c(C(F)(F)F)cnn2C)C1	ZINC000601962716	567888030	/nfs/dbraw/zinc/88/80/30/567888030.db2.gz	ONQIYNFHFTXRAH-CABZTGNLSA-N	-1	3	350.366	2.190	20	30		FEEDHM
N#Cc1ncccc1NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F	ZINC000568458449	568040126	/nfs/dbraw/zinc/04/01/26/568040126.db2.gz	FKXSHHIRJBEUOW-UHFFFAOYSA-N	-1	3	354.794	2.136	20	30		FEEDHM
COc1ccc(OC)c(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c1	ZINC000737108405	598916756	/nfs/dbraw/zinc/91/67/56/598916756.db2.gz	LIJGEQPDTNCZRH-UHFFFAOYSA-N	-1	3	350.338	2.008	20	30		FEEDHM
COc1ccc(OC)c(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c1	ZINC000737108405	598916758	/nfs/dbraw/zinc/91/67/58/598916758.db2.gz	LIJGEQPDTNCZRH-UHFFFAOYSA-N	-1	3	350.338	2.008	20	30		FEEDHM
CC[C@@H](C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1c(C)noc1C	ZINC000736314828	598918162	/nfs/dbraw/zinc/91/81/62/598918162.db2.gz	UOXMYVIAKHUIJI-CYBMUJFWSA-N	-1	3	351.370	2.476	20	30		FEEDHM
CC[C@@H](C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1c(C)noc1C	ZINC000736314828	598918164	/nfs/dbraw/zinc/91/81/64/598918164.db2.gz	UOXMYVIAKHUIJI-CYBMUJFWSA-N	-1	3	351.370	2.476	20	30		FEEDHM
C=CC[C@@H](NC(=O)COc1ccc(-c2nn[n-]n2)cc1)c1ccncc1	ZINC000735409808	598968862	/nfs/dbraw/zinc/96/88/62/598968862.db2.gz	LMYXQPBXSWZMBL-MRXNPFEDSA-N	-1	3	350.382	2.074	20	30		FEEDHM
C=CC[C@@H](NC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1)c1ccncc1	ZINC000735409589	598969255	/nfs/dbraw/zinc/96/92/55/598969255.db2.gz	GMAPMPOXNJPSSP-CXAGYDPISA-N	-1	3	364.409	2.463	20	30		FEEDHM
CCN(CC#N)C(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1	ZINC000736511303	598998580	/nfs/dbraw/zinc/99/85/80/598998580.db2.gz	FWYWBUZRWYWGHD-UHFFFAOYSA-N	-1	3	362.393	2.431	20	30		FEEDHM
N#C[C@H](NC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1)C1CC1	ZINC000737675581	599031524	/nfs/dbraw/zinc/03/15/24/599031524.db2.gz	PUINLQUNAPXPBA-SFHVURJKSA-N	-1	3	374.404	2.478	20	30		FEEDHM
C=CC[C@@H](NC(=O)COc1cccc(-c2nnn[n-]2)c1)c1ccncc1	ZINC000735409501	599033749	/nfs/dbraw/zinc/03/37/49/599033749.db2.gz	FXTCNBOCWWHODD-MRXNPFEDSA-N	-1	3	350.382	2.074	20	30		FEEDHM
C=CC[C@@H](NC(=O)COc1cccc(-c2nn[n-]n2)c1)c1ccncc1	ZINC000735409501	599033751	/nfs/dbraw/zinc/03/37/51/599033751.db2.gz	FXTCNBOCWWHODD-MRXNPFEDSA-N	-1	3	350.382	2.074	20	30		FEEDHM
N#Cc1ccc(OCCNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1	ZINC000822832948	599049594	/nfs/dbraw/zinc/04/95/94/599049594.db2.gz	JUMGIRNSDBNEPD-UHFFFAOYSA-N	-1	3	351.326	2.137	20	30		FEEDHM
N#Cc1ccc(OCCNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1	ZINC000822832948	599049597	/nfs/dbraw/zinc/04/95/97/599049597.db2.gz	JUMGIRNSDBNEPD-UHFFFAOYSA-N	-1	3	351.326	2.137	20	30		FEEDHM
N#Cc1ccc([C@@H](Sc2ccc(-c3nnn[n-]3)cc2F)C(N)=O)cc1	ZINC000737712106	599167263	/nfs/dbraw/zinc/16/72/63/599167263.db2.gz	NWXRCPUNPGCGGN-CQSZACIVSA-N	-1	3	354.370	2.196	20	30		FEEDHM
N#Cc1ccc([C@@H](Sc2ccc(-c3nn[n-]n3)cc2F)C(N)=O)cc1	ZINC000737712106	599167265	/nfs/dbraw/zinc/16/72/65/599167265.db2.gz	NWXRCPUNPGCGGN-CQSZACIVSA-N	-1	3	354.370	2.196	20	30		FEEDHM
N#Cc1ccc(SCC(=O)NCc2ccc(-c3nnn[n-]3)cc2)c(F)c1	ZINC000737722367	599167399	/nfs/dbraw/zinc/16/73/99/599167399.db2.gz	ICBUPBWYBBJNHK-UHFFFAOYSA-N	-1	3	368.397	2.286	20	30		FEEDHM
N#Cc1ccc(SCC(=O)NCc2ccc(-c3nn[n-]n3)cc2)c(F)c1	ZINC000737722367	599167402	/nfs/dbraw/zinc/16/74/02/599167402.db2.gz	ICBUPBWYBBJNHK-UHFFFAOYSA-N	-1	3	368.397	2.286	20	30		FEEDHM
COc1ccc(CC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1F	ZINC000737083275	599192265	/nfs/dbraw/zinc/19/22/65/599192265.db2.gz	NXFSNZRDDMTFSI-UHFFFAOYSA-N	-1	3	352.329	2.067	20	30		FEEDHM
COc1ccc(CC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1F	ZINC000737083275	599192267	/nfs/dbraw/zinc/19/22/67/599192267.db2.gz	NXFSNZRDDMTFSI-UHFFFAOYSA-N	-1	3	352.329	2.067	20	30		FEEDHM
N#Cc1ccc(NC(=O)C[C@H]2OCCc3ccccc32)cc1-c1nnn[n-]1	ZINC000737715841	599198819	/nfs/dbraw/zinc/19/88/19/599198819.db2.gz	FPWBVPQTFCIMCE-QGZVFWFLSA-N	-1	3	360.377	2.381	20	30		FEEDHM
N#Cc1ccc(NC(=O)C[C@H]2OCCc3ccccc32)cc1-c1nn[n-]n1	ZINC000737715841	599198822	/nfs/dbraw/zinc/19/88/22/599198822.db2.gz	FPWBVPQTFCIMCE-QGZVFWFLSA-N	-1	3	360.377	2.381	20	30		FEEDHM
C=CCCO[C@@H](C)C(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1	ZINC000735416200	598237068	/nfs/dbraw/zinc/23/70/68/598237068.db2.gz	FELZUAHFXDTCSL-AWEZNQCLSA-N	-1	3	371.441	2.218	20	30		FEEDHM
C=CCCO[C@@H](C)C(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1	ZINC000735416200	598237069	/nfs/dbraw/zinc/23/70/69/598237069.db2.gz	FELZUAHFXDTCSL-AWEZNQCLSA-N	-1	3	371.441	2.218	20	30		FEEDHM
N#Cc1c(Cl)nsc1N1CCN(c2ccccc2-c2nnn[n-]2)CC1	ZINC000737704477	598244599	/nfs/dbraw/zinc/24/45/99/598244599.db2.gz	GJHQPESQRDWEDT-UHFFFAOYSA-N	-1	3	372.845	2.175	20	30		FEEDHM
N#Cc1c(Cl)nsc1N1CCN(c2ccccc2-c2nn[n-]n2)CC1	ZINC000737704477	598244601	/nfs/dbraw/zinc/24/46/01/598244601.db2.gz	GJHQPESQRDWEDT-UHFFFAOYSA-N	-1	3	372.845	2.175	20	30		FEEDHM
C#CCOc1ccc(C=C2N=C(c3ccc(-c4nnn[n-]4)cc3)OC2=O)cc1	ZINC000735379982	598378241	/nfs/dbraw/zinc/37/82/41/598378241.db2.gz	AOLQJBBOXBEGAY-ATVHPVEESA-N	-1	3	371.356	2.223	20	30		FEEDHM
C#CCOc1ccc(C=C2N=C(c3ccc(-c4nn[n-]n4)cc3)OC2=O)cc1	ZINC000735379982	598378243	/nfs/dbraw/zinc/37/82/43/598378243.db2.gz	AOLQJBBOXBEGAY-ATVHPVEESA-N	-1	3	371.356	2.223	20	30		FEEDHM
N#CCOc1cccc(C=C2N=C(c3ccc(-c4nnn[n-]4)cc3)OC2=O)c1	ZINC000737698311	598378789	/nfs/dbraw/zinc/37/87/89/598378789.db2.gz	WLFGLXSEXSKRLB-WJDWOHSUSA-N	-1	3	372.344	2.114	20	30		FEEDHM
N#CCOc1cccc(C=C2N=C(c3ccc(-c4nn[n-]n4)cc3)OC2=O)c1	ZINC000737698311	598378790	/nfs/dbraw/zinc/37/87/90/598378790.db2.gz	WLFGLXSEXSKRLB-WJDWOHSUSA-N	-1	3	372.344	2.114	20	30		FEEDHM
C#CCOc1cccc(COC(=O)COc2ccc(-c3nn[n-]n3)cc2)c1	ZINC000735380685	598413947	/nfs/dbraw/zinc/41/39/47/598413947.db2.gz	LEOQHHMXHHZYAM-UHFFFAOYSA-N	-1	3	364.361	2.001	20	30		FEEDHM
C#CCOc1cccc(COC(=O)COc2ccccc2-c2nnn[n-]2)c1	ZINC000735381749	598414298	/nfs/dbraw/zinc/41/42/98/598414298.db2.gz	ZDLSWVSTVLRFDB-UHFFFAOYSA-N	-1	3	364.361	2.001	20	30		FEEDHM
C#CCOc1cccc(COC(=O)COc2ccccc2-c2nn[n-]n2)c1	ZINC000735381749	598414300	/nfs/dbraw/zinc/41/43/00/598414300.db2.gz	ZDLSWVSTVLRFDB-UHFFFAOYSA-N	-1	3	364.361	2.001	20	30		FEEDHM
N#Cc1c(F)cccc1NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1	ZINC000737705864	598459483	/nfs/dbraw/zinc/45/94/83/598459483.db2.gz	RGGWSXHJCJELGA-UHFFFAOYSA-N	-1	3	364.388	2.353	20	30		FEEDHM
N#Cc1c(F)cccc1NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1	ZINC000737705864	598459484	/nfs/dbraw/zinc/45/94/84/598459484.db2.gz	RGGWSXHJCJELGA-UHFFFAOYSA-N	-1	3	364.388	2.353	20	30		FEEDHM
N#CCCCOC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1	ZINC000737687818	598558008	/nfs/dbraw/zinc/55/80/08/598558008.db2.gz	MSKRWGCKAHSFRI-UHFFFAOYSA-N	-1	3	353.338	2.499	20	30		FEEDHM
N#Cc1ccc(N2CCC[C@@H]2C(=O)Oc2ccc(-c3nnn[n-]3)cc2)cc1	ZINC000737719906	598570826	/nfs/dbraw/zinc/57/08/26/598570826.db2.gz	YMDCMEQBLZYHEX-QGZVFWFLSA-N	-1	3	360.377	2.313	20	30		FEEDHM
N#Cc1ccc(N2CCC[C@@H]2C(=O)Oc2ccc(-c3nn[n-]n3)cc2)cc1	ZINC000737719906	598570829	/nfs/dbraw/zinc/57/08/29/598570829.db2.gz	YMDCMEQBLZYHEX-QGZVFWFLSA-N	-1	3	360.377	2.313	20	30		FEEDHM
COC(=O)c1occc1C=CC(=O)c1c(C)n2c(c1-c1nnn[n-]1)CCC2	ZINC000736958119	598640759	/nfs/dbraw/zinc/64/07/59/598640759.db2.gz	ZLLWBNCBZXMTGH-WAYWQWQTSA-N	-1	3	367.365	2.199	20	30		FEEDHM
COC(=O)c1occc1C=CC(=O)c1c(C)n2c(c1-c1nn[n-]n1)CCC2	ZINC000736958119	598640761	/nfs/dbraw/zinc/64/07/61/598640761.db2.gz	ZLLWBNCBZXMTGH-WAYWQWQTSA-N	-1	3	367.365	2.199	20	30		FEEDHM
C#CCN(CC(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1)C1CCCCC1	ZINC000819697320	607363770	/nfs/dbraw/zinc/36/37/70/607363770.db2.gz	AKFVOHPSCIUGQV-UHFFFAOYSA-N	-1	3	356.430	2.283	20	30		FEEDHM
C#CCN(CC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1)C1CCCCC1	ZINC000819697320	607363772	/nfs/dbraw/zinc/36/37/72/607363772.db2.gz	AKFVOHPSCIUGQV-UHFFFAOYSA-N	-1	3	356.430	2.283	20	30		FEEDHM
CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccc(C#N)cn1	ZINC000735734244	598662408	/nfs/dbraw/zinc/66/24/08/598662408.db2.gz	FRGZHFUHUCZHQI-MRXNPFEDSA-N	-1	3	363.381	2.175	20	30		FEEDHM
CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccc(C#N)cn1	ZINC000735734244	598662410	/nfs/dbraw/zinc/66/24/10/598662410.db2.gz	FRGZHFUHUCZHQI-MRXNPFEDSA-N	-1	3	363.381	2.175	20	30		FEEDHM
C=CC1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)CC1	ZINC000735410116	598710620	/nfs/dbraw/zinc/71/06/20/598710620.db2.gz	UPXOHYZPCCBSOH-UHFFFAOYSA-N	-1	3	353.835	2.107	20	30		FEEDHM
C=CC1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)CC1	ZINC000735410116	598710621	/nfs/dbraw/zinc/71/06/21/598710621.db2.gz	UPXOHYZPCCBSOH-UHFFFAOYSA-N	-1	3	353.835	2.107	20	30		FEEDHM
N#Cc1cccc(CS(=O)(=O)[N-]Cc2noc(-c3cccs3)n2)c1	ZINC000557559176	674454082	/nfs/dbraw/zinc/45/40/82/674454082.db2.gz	ITKQNXQTFUOGTL-UHFFFAOYSA-N	-1	3	360.420	2.289	20	30		FEEDHM
N#CCc1cccc(C(=O)Nc2ccnn2-c2ccc(-c3nn[n-]n3)cc2)c1	ZINC000737697861	598807578	/nfs/dbraw/zinc/80/75/78/598807578.db2.gz	NZJCEVHLKWKINL-UHFFFAOYSA-N	-1	3	370.376	2.371	20	30		FEEDHM
C=CCOCC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1	ZINC000735437014	598817104	/nfs/dbraw/zinc/81/71/04/598817104.db2.gz	COSSBLWCAOHJSK-UHFFFAOYSA-N	-1	3	352.354	2.195	20	30		FEEDHM
N#Cc1ccc(-c2nnc(COC(=O)c3ccc(-c4nnn[n-]4)cc3)o2)cc1	ZINC000822823611	599648799	/nfs/dbraw/zinc/64/87/99/599648799.db2.gz	UJUXSFTWGUKVGJ-UHFFFAOYSA-N	-1	3	373.332	2.145	20	30		FEEDHM
N#Cc1ccc(-c2nnc(COC(=O)c3ccc(-c4nn[n-]n4)cc3)o2)cc1	ZINC000822823611	599648800	/nfs/dbraw/zinc/64/88/00/599648800.db2.gz	UJUXSFTWGUKVGJ-UHFFFAOYSA-N	-1	3	373.332	2.145	20	30		FEEDHM
C#CCOc1ccc(C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)cc1	ZINC000819709475	599664543	/nfs/dbraw/zinc/66/45/43/599664543.db2.gz	GJZHLQMABYUHIQ-UHFFFAOYSA-N	-1	3	352.325	2.375	20	30		FEEDHM
C#CCOc1ccc(C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)cc1	ZINC000819709475	599664544	/nfs/dbraw/zinc/66/45/44/599664544.db2.gz	GJZHLQMABYUHIQ-UHFFFAOYSA-N	-1	3	352.325	2.375	20	30		FEEDHM
CC(C)Oc1ccc(NC(=O)c2cc(C#N)cn2C)cc1-c1nnn[n-]1	ZINC000820170123	607402073	/nfs/dbraw/zinc/40/20/73/607402073.db2.gz	RGVQLDRVXCWPLC-UHFFFAOYSA-N	-1	3	351.370	2.116	20	30		FEEDHM
CC(C)Oc1ccc(NC(=O)c2cc(C#N)cn2C)cc1-c1nn[n-]n1	ZINC000820170123	607402074	/nfs/dbraw/zinc/40/20/74/607402074.db2.gz	RGVQLDRVXCWPLC-UHFFFAOYSA-N	-1	3	351.370	2.116	20	30		FEEDHM
N#Cc1ccc([C@H](C(=O)[O-])N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1	ZINC000833072191	601013746	/nfs/dbraw/zinc/01/37/46/601013746.db2.gz	PRIZVEKBWSGNPZ-WMLDXEAASA-N	-1	3	367.365	2.174	20	30		FEEDHM
CS(=O)(=O)Cc1ccccc1CN[C@@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000832681825	601307942	/nfs/dbraw/zinc/30/79/42/601307942.db2.gz	JIDFCJLJHAYKFH-QGZVFWFLSA-N	-1	3	358.419	2.018	20	30		FEEDHM
N#Cc1ccc(C(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc1	ZINC000833070678	601734726	/nfs/dbraw/zinc/73/47/26/601734726.db2.gz	QQWCBIXJVHHZQW-OAQYLSRUSA-N	-1	3	363.417	2.407	20	30		FEEDHM
C[C@@H](NCc1ccc(CS(=O)(=O)CC(=O)[O-])cc1)c1ccc(C#N)cc1	ZINC000827741499	601852187	/nfs/dbraw/zinc/85/21/87/601852187.db2.gz	NQJZFLQNVTZYPY-CQSZACIVSA-N	-1	3	372.446	2.408	20	30		FEEDHM
C=CCN1CCC(NC(=O)Nc2ccc3c(c2)CN(C(=O)[O-])CC3)CC1	ZINC000738491529	602609848	/nfs/dbraw/zinc/60/98/48/602609848.db2.gz	KBZWPAUVBGBGCI-UHFFFAOYSA-N	-1	3	358.442	2.495	20	30		FEEDHM
CCC(CC)CN(CCC#N)S(=O)(=O)c1ccccc1-c1nnn[n-]1	ZINC000825108603	607608203	/nfs/dbraw/zinc/60/82/03/607608203.db2.gz	XSRAZNBJGHCTII-UHFFFAOYSA-N	-1	3	362.459	2.207	20	30		FEEDHM
CCC(CC)CN(CCC#N)S(=O)(=O)c1ccccc1-c1nn[n-]n1	ZINC000825108603	607608204	/nfs/dbraw/zinc/60/82/04/607608204.db2.gz	XSRAZNBJGHCTII-UHFFFAOYSA-N	-1	3	362.459	2.207	20	30		FEEDHM
C=CCNc1ncc(C(=O)OCc2ccc(OC)c(-c3nnn[n-]3)c2)s1	ZINC000823925314	607613197	/nfs/dbraw/zinc/61/31/97/607613197.db2.gz	HTEXRFLABOOKKE-UHFFFAOYSA-N	-1	3	372.410	2.287	20	30		FEEDHM
C=CCNc1ncc(C(=O)OCc2ccc(OC)c(-c3nn[n-]n3)c2)s1	ZINC000823925314	607613198	/nfs/dbraw/zinc/61/31/98/607613198.db2.gz	HTEXRFLABOOKKE-UHFFFAOYSA-N	-1	3	372.410	2.287	20	30		FEEDHM
COc1ccccc1[C@@H](CNCc1cnc2ccc(C#N)cn12)NC(=O)[O-]	ZINC000739959450	603305399	/nfs/dbraw/zinc/30/53/99/603305399.db2.gz	BNMSKUTYLCFUMB-MRXNPFEDSA-N	-1	3	365.393	2.313	20	30		FEEDHM
C=CCNC(=O)c1ccccc1NC(=O)c1ccc(-c2nnn[n-]2)cc1C	ZINC000823925977	607653610	/nfs/dbraw/zinc/65/36/10/607653610.db2.gz	TYRXNNYZQSGNHU-UHFFFAOYSA-N	-1	3	362.393	2.343	20	30		FEEDHM
C=CCNC(=O)c1ccccc1NC(=O)c1ccc(-c2nn[n-]n2)cc1C	ZINC000823925977	607653612	/nfs/dbraw/zinc/65/36/12/607653612.db2.gz	TYRXNNYZQSGNHU-UHFFFAOYSA-N	-1	3	362.393	2.343	20	30		FEEDHM
C=CCn1c(CCN2CCCCC2)nnc1S[C@@H](C(=O)[O-])C1CC1	ZINC000833379850	605072270	/nfs/dbraw/zinc/07/22/70/605072270.db2.gz	OALSYLNDDYEZAZ-OAHLLOKOSA-N	-1	3	350.488	2.448	20	30		FEEDHM
N#Cc1ccc(CN2CCC[C@H](CNC(=O)[C@H]3CCCN3C(=O)[O-])C2)cc1	ZINC000833971751	605519975	/nfs/dbraw/zinc/51/99/75/605519975.db2.gz	MNNKHLMAYJAFTK-QZTJIDSGSA-N	-1	3	370.453	2.029	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2occc2Br)cc1-c1nnn[n-]1	ZINC000822829799	606255309	/nfs/dbraw/zinc/25/53/09/606255309.db2.gz	JWCVJOMJDWNLSX-UHFFFAOYSA-N	-1	3	359.143	2.346	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2occc2Br)cc1-c1nn[n-]n1	ZINC000822829799	606255311	/nfs/dbraw/zinc/25/53/11/606255311.db2.gz	JWCVJOMJDWNLSX-UHFFFAOYSA-N	-1	3	359.143	2.346	20	30		FEEDHM
COC(=O)[C@H](N[C@H](C)c1ccc(-c2nnn[n-]2)cc1)c1cccc(C#N)c1	ZINC000821640642	606299644	/nfs/dbraw/zinc/29/96/44/606299644.db2.gz	MAOCNAINNFYYHO-SJKOYZFVSA-N	-1	3	362.393	2.303	20	30		FEEDHM
COC(=O)[C@H](N[C@H](C)c1ccc(-c2nn[n-]n2)cc1)c1cccc(C#N)c1	ZINC000821640642	606299645	/nfs/dbraw/zinc/29/96/45/606299645.db2.gz	MAOCNAINNFYYHO-SJKOYZFVSA-N	-1	3	362.393	2.303	20	30		FEEDHM
CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@@H]1CCC[C@H]1C#N	ZINC000820032476	606299789	/nfs/dbraw/zinc/29/97/89/606299789.db2.gz	OAGAYBLMDOCLOO-BJJXKVORSA-N	-1	3	354.414	2.079	20	30		FEEDHM
CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@@H]1CCC[C@H]1C#N	ZINC000820032476	606299791	/nfs/dbraw/zinc/29/97/91/606299791.db2.gz	OAGAYBLMDOCLOO-BJJXKVORSA-N	-1	3	354.414	2.079	20	30		FEEDHM
COC(=O)[C@@H](N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1cccc(C#N)c1	ZINC000821640199	606309804	/nfs/dbraw/zinc/30/98/04/606309804.db2.gz	CMWCJQOGQPBOOF-SJCJKPOMSA-N	-1	3	362.393	2.303	20	30		FEEDHM
COC(=O)[C@@H](N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1cccc(C#N)c1	ZINC000821640199	606309806	/nfs/dbraw/zinc/30/98/06/606309806.db2.gz	CMWCJQOGQPBOOF-SJCJKPOMSA-N	-1	3	362.393	2.303	20	30		FEEDHM
C#CCOc1ccc([C@H](C)OC(=O)c2cc(-c3nnn[n-]3)cn2C)cc1	ZINC000819709577	606408703	/nfs/dbraw/zinc/40/87/03/606408703.db2.gz	KAFCBOUNYRQBPO-LBPRGKRZSA-N	-1	3	351.366	2.135	20	30		FEEDHM
C#CCOc1ccc([C@H](C)OC(=O)c2cc(-c3nn[n-]n3)cn2C)cc1	ZINC000819709577	606408705	/nfs/dbraw/zinc/40/87/05/606408705.db2.gz	KAFCBOUNYRQBPO-LBPRGKRZSA-N	-1	3	351.366	2.135	20	30		FEEDHM
C#CCOc1ccccc1[C@@H](C)OC(=O)c1cc(-c2nnn[n-]2)cn1C	ZINC000819709335	606408809	/nfs/dbraw/zinc/40/88/09/606408809.db2.gz	DIMMIRICQMMWRD-GFCCVEGCSA-N	-1	3	351.366	2.135	20	30		FEEDHM
C#CCOc1ccccc1[C@@H](C)OC(=O)c1cc(-c2nn[n-]n2)cn1C	ZINC000819709335	606408810	/nfs/dbraw/zinc/40/88/10/606408810.db2.gz	DIMMIRICQMMWRD-GFCCVEGCSA-N	-1	3	351.366	2.135	20	30		FEEDHM
C#CCOc1ccc(NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1	ZINC000819710206	606677851	/nfs/dbraw/zinc/67/78/51/606677851.db2.gz	ZGFDCMCIGQJOCK-UHFFFAOYSA-N	-1	3	355.304	2.409	20	30		FEEDHM
C#CCOc1ccc(NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1	ZINC000819710206	606677852	/nfs/dbraw/zinc/67/78/52/606677852.db2.gz	ZGFDCMCIGQJOCK-UHFFFAOYSA-N	-1	3	355.304	2.409	20	30		FEEDHM
N#Cc1cc(F)c(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c(F)c1	ZINC000822819597	606681355	/nfs/dbraw/zinc/68/13/55/606681355.db2.gz	XMRLNMDLSYJQJF-UHFFFAOYSA-N	-1	3	351.276	2.141	20	30		FEEDHM
N#Cc1cc(F)c(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c(F)c1	ZINC000822819597	606681356	/nfs/dbraw/zinc/68/13/56/606681356.db2.gz	XMRLNMDLSYJQJF-UHFFFAOYSA-N	-1	3	351.276	2.141	20	30		FEEDHM
COC(=O)[C@H](C)Oc1ccc(C=NNc2ccc(-c3nn[n-]n3)cc2)cc1	ZINC000821640173	606918241	/nfs/dbraw/zinc/91/82/41/606918241.db2.gz	CDOBAPMTDLBUAT-LBPRGKRZSA-N	-1	3	366.381	2.253	20	30		FEEDHM
C#CCOc1cc(F)ccc1NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl	ZINC000819710262	607233906	/nfs/dbraw/zinc/23/39/06/607233906.db2.gz	ZZMJDDXJOFNXQN-UHFFFAOYSA-N	-1	3	372.747	2.319	20	30		FEEDHM
C#CCOc1cc(F)ccc1NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl	ZINC000819710262	607233907	/nfs/dbraw/zinc/23/39/07/607233907.db2.gz	ZZMJDDXJOFNXQN-UHFFFAOYSA-N	-1	3	372.747	2.319	20	30		FEEDHM
C[C@H](Oc1ccccc1C#N)C(=O)Oc1ccc(-c2nnn[n-]2)cc1F	ZINC000820550007	607249962	/nfs/dbraw/zinc/24/99/62/607249962.db2.gz	UMGZCCRAGMMZEY-JTQLQIEISA-N	-1	3	353.313	2.250	20	30		FEEDHM
C[C@H](Oc1ccccc1C#N)C(=O)Oc1ccc(-c2nn[n-]n2)cc1F	ZINC000820550007	607249963	/nfs/dbraw/zinc/24/99/63/607249963.db2.gz	UMGZCCRAGMMZEY-JTQLQIEISA-N	-1	3	353.313	2.250	20	30		FEEDHM
CCN(C(=O)Cc1ccc(OCC#N)cc1)c1ccc(-c2nnn[n-]2)cc1	ZINC000825377001	607800025	/nfs/dbraw/zinc/80/00/25/607800025.db2.gz	QTJPYADCEDMWMU-UHFFFAOYSA-N	-1	3	362.393	2.365	20	30		FEEDHM
CCN(C(=O)Cc1ccc(OCC#N)cc1)c1ccc(-c2nn[n-]n2)cc1	ZINC000825377001	607800026	/nfs/dbraw/zinc/80/00/26/607800026.db2.gz	QTJPYADCEDMWMU-UHFFFAOYSA-N	-1	3	362.393	2.365	20	30		FEEDHM
C[C@@H](C#N)CN(CCC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C1CC1	ZINC000824035464	607831512	/nfs/dbraw/zinc/83/15/12/607831512.db2.gz	YLJQRVBZKWVBIS-NSHDSACASA-N	-1	3	373.848	2.473	20	30		FEEDHM
C[C@@H](C#N)CN(CCC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C1CC1	ZINC000824035464	607831513	/nfs/dbraw/zinc/83/15/13/607831513.db2.gz	YLJQRVBZKWVBIS-NSHDSACASA-N	-1	3	373.848	2.473	20	30		FEEDHM
C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCc2ccc(C#N)cc21	ZINC000824731742	607951486	/nfs/dbraw/zinc/95/14/86/607951486.db2.gz	YAUHLAOJAYKYLI-GFCCVEGCSA-N	-1	3	360.377	2.095	20	30		FEEDHM
C=CCCOCCNC(=O)N(CC=C)Cc1cccc(-c2nnn[n-]2)c1	ZINC000823899429	607959019	/nfs/dbraw/zinc/95/90/19/607959019.db2.gz	WBLFOSMRBSCABJ-UHFFFAOYSA-N	-1	3	356.430	2.157	20	30		FEEDHM
C=CCCOCCNC(=O)N(CC=C)Cc1cccc(-c2nn[n-]n2)c1	ZINC000823899429	607959020	/nfs/dbraw/zinc/95/90/20/607959020.db2.gz	WBLFOSMRBSCABJ-UHFFFAOYSA-N	-1	3	356.430	2.157	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H]1CCC(=O)[C@H](C)C1	ZINC000823909749	608119973	/nfs/dbraw/zinc/11/99/73/608119973.db2.gz	PKIJYBCCVSRZMR-CJNGLKHVSA-N	-1	3	353.426	2.387	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H]1CCC(=O)[C@H](C)C1	ZINC000823909749	608119974	/nfs/dbraw/zinc/11/99/74/608119974.db2.gz	PKIJYBCCVSRZMR-CJNGLKHVSA-N	-1	3	353.426	2.387	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H]1CCC(=O)C[C@@H]1C	ZINC000823910005	608120210	/nfs/dbraw/zinc/12/02/10/608120210.db2.gz	VRKVWXBFLWQTEU-GUYCJALGSA-N	-1	3	353.426	2.387	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H]1CCC(=O)C[C@@H]1C	ZINC000823910005	608120211	/nfs/dbraw/zinc/12/02/11/608120211.db2.gz	VRKVWXBFLWQTEU-GUYCJALGSA-N	-1	3	353.426	2.387	20	30		FEEDHM
COCCOc1ccc(C#N)cc1NC(=O)c1cc(-c2nnn[n-]2)cs1	ZINC000826162665	608137604	/nfs/dbraw/zinc/13/76/04/608137604.db2.gz	MTVSYLWTAAGDGD-UHFFFAOYSA-N	-1	3	370.394	2.077	20	30		FEEDHM
COCCOc1ccc(C#N)cc1NC(=O)c1cc(-c2nn[n-]n2)cs1	ZINC000826162665	608137605	/nfs/dbraw/zinc/13/76/05/608137605.db2.gz	MTVSYLWTAAGDGD-UHFFFAOYSA-N	-1	3	370.394	2.077	20	30		FEEDHM
COC[C@@H](C#N)OC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1	ZINC000826147552	608146822	/nfs/dbraw/zinc/14/68/22/608146822.db2.gz	BFABHYDVCIIELE-MRXNPFEDSA-N	-1	3	364.365	2.306	20	30		FEEDHM
COC[C@H](C#N)OC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1	ZINC000826148097	608147220	/nfs/dbraw/zinc/14/72/20/608147220.db2.gz	YKQNFEAXXUCLOC-INIZCTEOSA-N	-1	3	365.349	2.354	20	30		FEEDHM
COC[C@H](C#N)OC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1	ZINC000826148097	608147221	/nfs/dbraw/zinc/14/72/21/608147221.db2.gz	YKQNFEAXXUCLOC-INIZCTEOSA-N	-1	3	365.349	2.354	20	30		FEEDHM
COCCn1nc(C)c(C(=O)C=Cc2cccc(-c3nnn[n-]3)c2)c1C	ZINC000826163991	608228893	/nfs/dbraw/zinc/22/88/93/608228893.db2.gz	UNKUBQUOIGOION-FPLPWBNLSA-N	-1	3	352.398	2.223	20	30		FEEDHM
COCCn1nc(C)c(C(=O)C=Cc2cccc(-c3nn[n-]n3)c2)c1C	ZINC000826163991	608228895	/nfs/dbraw/zinc/22/88/95/608228895.db2.gz	UNKUBQUOIGOION-FPLPWBNLSA-N	-1	3	352.398	2.223	20	30		FEEDHM
OCC(=NNc1cc(-c2nn[n-]n2)cc(Cl)n1)c1ccc(F)cc1F	ZINC000826507253	608538084	/nfs/dbraw/zinc/53/80/84/608538084.db2.gz	LJKJUUUUCRXXKM-UHFFFAOYSA-N	-1	3	365.731	2.002	20	30		FEEDHM
CCc1ccc2c(c1)C(=NNc1cc(-c3nnn[n-]3)cc(Cl)n1)C(=O)N2	ZINC000825718268	608538799	/nfs/dbraw/zinc/53/87/99/608538799.db2.gz	YHNLROAZNAWPDQ-UHFFFAOYSA-N	-1	3	368.788	2.246	20	30		FEEDHM
CCc1ccc2c(c1)C(=NNc1cc(-c3nn[n-]n3)cc(Cl)n1)C(=O)N2	ZINC000825718268	608538801	/nfs/dbraw/zinc/53/88/01/608538801.db2.gz	YHNLROAZNAWPDQ-UHFFFAOYSA-N	-1	3	368.788	2.246	20	30		FEEDHM
Cc1ccc2c(c1C)NC(=O)C2=NNc1cc(-c2nnn[n-]2)cc(Cl)n1	ZINC000826293838	608539353	/nfs/dbraw/zinc/53/93/53/608539353.db2.gz	CJMCXSFSSCIXNU-UHFFFAOYSA-N	-1	3	368.788	2.300	20	30		FEEDHM
Cc1ccc2c(c1C)NC(=O)C2=NNc1cc(-c2nn[n-]n2)cc(Cl)n1	ZINC000826293838	608539355	/nfs/dbraw/zinc/53/93/55/608539355.db2.gz	CJMCXSFSSCIXNU-UHFFFAOYSA-N	-1	3	368.788	2.300	20	30		FEEDHM
N#Cc1cccnc1NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1	ZINC000826386993	608557159	/nfs/dbraw/zinc/55/71/59/608557159.db2.gz	BGLYIUHLKIIFRW-UHFFFAOYSA-N	-1	3	362.397	2.330	20	30		FEEDHM
N#Cc1cccnc1NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1	ZINC000826386993	608557161	/nfs/dbraw/zinc/55/71/61/608557161.db2.gz	BGLYIUHLKIIFRW-UHFFFAOYSA-N	-1	3	362.397	2.330	20	30		FEEDHM
N#Cc1ccc(CN2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)s1	ZINC000826384784	608854946	/nfs/dbraw/zinc/85/49/46/608854946.db2.gz	JRHPZTHDOSDNDS-INIZCTEOSA-N	-1	3	352.423	2.373	20	30		FEEDHM
N#Cc1ccc(CN2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)s1	ZINC000826384784	608854948	/nfs/dbraw/zinc/85/49/48/608854948.db2.gz	JRHPZTHDOSDNDS-INIZCTEOSA-N	-1	3	352.423	2.373	20	30		FEEDHM
C=CCN(Cc1cccs1)C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1	ZINC000823920013	609189717	/nfs/dbraw/zinc/18/97/17/609189717.db2.gz	WMZDWOACOYXZFU-OAHLLOKOSA-N	-1	3	355.423	2.176	20	30		FEEDHM
C=CCN(Cc1cccs1)C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1	ZINC000823920013	609189718	/nfs/dbraw/zinc/18/97/18/609189718.db2.gz	WMZDWOACOYXZFU-OAHLLOKOSA-N	-1	3	355.423	2.176	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H](C)[C@H]1CCCOC1	ZINC000823909399	609191299	/nfs/dbraw/zinc/19/12/99/609191299.db2.gz	BNPZCQIYFMVLGQ-PBHICJAKSA-N	-1	3	370.457	2.379	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H](C)[C@H]1CCCOC1	ZINC000823909399	609191301	/nfs/dbraw/zinc/19/13/01/609191301.db2.gz	BNPZCQIYFMVLGQ-PBHICJAKSA-N	-1	3	370.457	2.379	20	30		FEEDHM
Cc1c(C(=O)C=Cc2cncnc2)cnn1-c1ccc(-c2nn[n-]n2)cc1	ZINC000826233928	609269957	/nfs/dbraw/zinc/26/99/57/609269957.db2.gz	ADAHHDSWXUSKRG-FARCUNLSSA-N	-1	3	358.365	2.047	20	30		FEEDHM
C[C@@H](C#N)CNC(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1	ZINC000824035477	609411482	/nfs/dbraw/zinc/41/14/82/609411482.db2.gz	YRQMFUFRZMABTK-ZDUSSCGKSA-N	-1	3	361.409	2.493	20	30		FEEDHM
C[C@@H](C#N)CNC(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1	ZINC000824035477	609411484	/nfs/dbraw/zinc/41/14/84/609411484.db2.gz	YRQMFUFRZMABTK-ZDUSSCGKSA-N	-1	3	361.409	2.493	20	30		FEEDHM
Cc1oc(NC(=O)[C@H](C)N2CCC(CC#N)CC2)c(-c2nnn[n-]2)c1C	ZINC000826341513	609431179	/nfs/dbraw/zinc/43/11/79/609431179.db2.gz	JMTFJTJAGSSDOE-NSHDSACASA-N	-1	3	357.418	2.029	20	30		FEEDHM
Cc1oc(NC(=O)[C@H](C)N2CCC(CC#N)CC2)c(-c2nn[n-]n2)c1C	ZINC000826341513	609431181	/nfs/dbraw/zinc/43/11/81/609431181.db2.gz	JMTFJTJAGSSDOE-NSHDSACASA-N	-1	3	357.418	2.029	20	30		FEEDHM
CN1c2ccccc2C(=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)C1=O	ZINC000826011101	609472991	/nfs/dbraw/zinc/47/29/91/609472991.db2.gz	XAVKMLLXHUGSHX-UHFFFAOYSA-N	-1	3	353.773	2.313	20	30		FEEDHM
CN1c2ccccc2C(=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)C1=O	ZINC000826011101	609472992	/nfs/dbraw/zinc/47/29/92/609472992.db2.gz	XAVKMLLXHUGSHX-UHFFFAOYSA-N	-1	3	353.773	2.313	20	30		FEEDHM
O=C1[C@H](N=Cc2ccccc2O)CCCN1c1ccc(-c2nn[n-]n2)cc1	ZINC000826476806	609505560	/nfs/dbraw/zinc/50/55/60/609505560.db2.gz	PMQRTIRDDLHRLV-SDLDRHLBSA-N	-1	3	362.393	2.187	20	30		FEEDHM
N#Cc1ccc(N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)cc1	ZINC000826385410	609575009	/nfs/dbraw/zinc/57/50/09/609575009.db2.gz	LBLSXWYAJFCDHU-KRWDZBQOSA-N	-1	3	359.393	2.346	20	30		FEEDHM
N#Cc1ccc(N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)cc1	ZINC000826385410	609575010	/nfs/dbraw/zinc/57/50/10/609575010.db2.gz	LBLSXWYAJFCDHU-KRWDZBQOSA-N	-1	3	359.393	2.346	20	30		FEEDHM
Cc1cc(C(=O)N[C@@H](C#N)C(C)(C)C)nn1-c1cccc(-c2nnn[n-]2)c1	ZINC000826258468	609591722	/nfs/dbraw/zinc/59/17/22/609591722.db2.gz	MNPUUWNFFHVCIT-HNNXBMFYSA-N	-1	3	364.413	2.029	20	30		FEEDHM
Cc1cc(C(=O)N[C@@H](C#N)C(C)(C)C)nn1-c1cccc(-c2nn[n-]n2)c1	ZINC000826258468	609591723	/nfs/dbraw/zinc/59/17/23/609591723.db2.gz	MNPUUWNFFHVCIT-HNNXBMFYSA-N	-1	3	364.413	2.029	20	30		FEEDHM
C[C@@H](C#N)Oc1ccccc1NC(=O)COc1cccc(-c2nnn[n-]2)c1	ZINC000824035524	609624777	/nfs/dbraw/zinc/62/47/77/609624777.db2.gz	ZERQGNVEELPNKG-LBPRGKRZSA-N	-1	3	364.365	2.175	20	30		FEEDHM
C[C@@H](C#N)Oc1ccccc1NC(=O)COc1cccc(-c2nn[n-]n2)c1	ZINC000824035524	609624778	/nfs/dbraw/zinc/62/47/78/609624778.db2.gz	ZERQGNVEELPNKG-LBPRGKRZSA-N	-1	3	364.365	2.175	20	30		FEEDHM
Cc1nc2sccn2c(=O)c1CCOC(=O)c1cc([O-])cc(C#N)c1	ZINC000811188130	674587202	/nfs/dbraw/zinc/58/72/02/674587202.db2.gz	WQUGINMGKIXAJR-UHFFFAOYSA-N	-1	3	355.375	2.041	20	30		FEEDHM
O=C(N[C@H]1CCN([O-])C1=O)c1ccc(Br)cc1C(F)(F)F	ZINC000816694337	675073876	/nfs/dbraw/zinc/07/38/76/675073876.db2.gz	CWYFRWTXDIFLIG-VIFPVBQESA-N	-1	3	367.121	2.188	20	30		FEEDHM
Cc1cc(Br)cc2cc(C(=O)N[C@H]3CCN([O-])C3=O)oc21	ZINC000816693588	675073881	/nfs/dbraw/zinc/07/38/81/675073881.db2.gz	ODNMIAPQSZZTPN-JTQLQIEISA-N	-1	3	353.172	2.224	20	30		FEEDHM
O=C(CSCc1cc(-c2cccs2)on1)N[C@H]1CCCN([O-])C1=O	ZINC000816754143	675077527	/nfs/dbraw/zinc/07/75/27/675077527.db2.gz	XTNQLCWXAVOCJC-NSHDSACASA-N	-1	3	367.452	2.133	20	30		FEEDHM
CC(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(C#N)cn2)ccc1F	ZINC000110287912	670848294	/nfs/dbraw/zinc/84/82/94/670848294.db2.gz	XVTGARJRDRAYKE-UHFFFAOYSA-N	-1	3	362.386	2.031	20	30		FEEDHM
Cc1nc(C[N-]S(=O)(=O)c2ccc(C#N)cc2F)nc2ccccc12	ZINC000610085110	675952609	/nfs/dbraw/zinc/95/26/09/675952609.db2.gz	ZNYUQLMQKDJCHB-UHFFFAOYSA-N	-1	3	356.382	2.428	20	30		FEEDHM
C/C=C/C[C@H]([N-]S(=O)(=O)Cc1ccc(CC#N)cc1)C(=O)OCC	ZINC000583260642	672078943	/nfs/dbraw/zinc/07/89/43/672078943.db2.gz	VLLZENUVSVALDQ-WMHVBEDNSA-N	-1	3	350.440	2.070	20	30		FEEDHM
Cn1cc(C#N)cc1C(=O)Nc1cc(I)ccc1[O-]	ZINC000610579551	675982475	/nfs/dbraw/zinc/98/24/75/675982475.db2.gz	VCVZRCCTHMTHRE-UHFFFAOYSA-N	-1	3	367.146	2.459	20	30		FEEDHM
O=C(CC(=O)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1)[N-]CC(F)(F)F	ZINC000679445109	672496453	/nfs/dbraw/zinc/49/64/53/672496453.db2.gz	ORHISCRZGMDDTL-PHDIDXHHSA-N	-1	3	374.203	2.254	20	30		FEEDHM
C#CC[C@@H](COC)[N-]S(=O)(=O)c1c(Cl)cccc1Br	ZINC000716889022	673076089	/nfs/dbraw/zinc/07/60/89/673076089.db2.gz	QQCYKLMZPJJWHC-VIFPVBQESA-N	-1	3	366.664	2.419	20	30		FEEDHM
CC(=NNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc([O-])c(F)c1	ZINC000728427360	673200902	/nfs/dbraw/zinc/20/09/02/673200902.db2.gz	OFQHVHSYDAPNDF-UHFFFAOYSA-N	-1	3	367.358	2.450	20	30		FEEDHM
O=S(=O)(Cc1ccccc1)[N-]N=C1CCC(O)(C(F)(F)F)CC1	ZINC000734746872	673471622	/nfs/dbraw/zinc/47/16/22/673471622.db2.gz	XPVLDAMIYPOLOF-UHFFFAOYSA-N	-1	3	350.362	2.329	20	30		FEEDHM
C=CC[C@@H](CO)C[N-]S(=O)(=O)c1sc(C)cc1Br	ZINC000539219298	673478729	/nfs/dbraw/zinc/47/87/29/673478729.db2.gz	JRPPMTJMTPQESO-SECBINFHSA-N	-1	3	354.291	2.282	20	30		FEEDHM
Cc1ccccc1NC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000742464739	673728844	/nfs/dbraw/zinc/72/88/44/673728844.db2.gz	ONNWVEXBMDKHPV-ZDUSSCGKSA-N	-1	3	357.435	2.451	20	30		FEEDHM
N#Cc1ccc(C=Nn2c(=S)[n-]nc2[C@@H]2COc3ccccc3O2)o1	ZINC000743427164	673759521	/nfs/dbraw/zinc/75/95/21/673759521.db2.gz	JSLKVQGYVCXVIW-AWEZNQCLSA-N	-1	3	353.363	2.426	20	30		FEEDHM
O=C1Nc2ccc(Cl)cc2C1=N[N-]S(=O)(=O)CCc1ccccc1	ZINC000743448507	673760225	/nfs/dbraw/zinc/76/02/25/673760225.db2.gz	SBGFSNPRZRFOKY-UHFFFAOYSA-N	-1	3	363.826	2.158	20	30		FEEDHM
CSc1nc(NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)n[n-]1	ZINC000819200029	675269154	/nfs/dbraw/zinc/26/91/54/675269154.db2.gz	QYLIJXNIFHZGLL-SECBINFHSA-N	-1	3	354.436	2.052	20	30		FEEDHM
C[C@@H](CC(=O)N[C@H]1CCN([O-])C1=O)c1ccc(F)c(Br)c1	ZINC000820137044	675338736	/nfs/dbraw/zinc/33/87/36/675338736.db2.gz	JUJVFSUQEXRYQY-UFBFGSQYSA-N	-1	3	359.195	2.188	20	30		FEEDHM
CCCOc1ccc(-c2nc(C(=O)N[C@@H]3CCN([O-])C3=O)cs2)cc1	ZINC000820156053	675340014	/nfs/dbraw/zinc/34/00/14/675340014.db2.gz	CCWLKJIBUAQPRE-CYBMUJFWSA-N	-1	3	361.423	2.319	20	30		FEEDHM
O=C(CCSc1ccnc2cc(Cl)ccc21)N[C@@H]1CCN([O-])C1=O	ZINC000820185701	675342109	/nfs/dbraw/zinc/34/21/09/675342109.db2.gz	QBWAXIHAMNKOMI-GFCCVEGCSA-N	-1	3	365.842	2.477	20	30		FEEDHM
COc1cc(C(=O)N[C@H]2CCN([O-])C2=O)cc(Cl)c1OCC(C)C	ZINC000820184806	675342242	/nfs/dbraw/zinc/34/22/42/675342242.db2.gz	FGFNBEMHBPULFW-LBPRGKRZSA-N	-1	3	356.806	2.103	20	30		FEEDHM
O=C(C/C=C/c1ccc(Br)cc1)N[C@H]1CCCN([O-])C1=O	ZINC000820543926	675368669	/nfs/dbraw/zinc/36/86/69/675368669.db2.gz	BIDBGVPVWUXFQQ-CHWPNHQFSA-N	-1	3	353.216	2.349	20	30		FEEDHM
C=CC[C@@H]1CCCN(C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)C1	ZINC000617783815	676304771	/nfs/dbraw/zinc/30/47/71/676304771.db2.gz	HLULJCTZSQISPG-LLVKDONJSA-N	-1	3	362.904	2.495	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCC(F)(F)C2)ccc1F	ZINC000763833940	680793363	/nfs/dbraw/zinc/79/33/63/680793363.db2.gz	RTGWDGDTGKQSNB-NSHDSACASA-N	-1	3	362.373	2.208	20	30		FEEDHM
N#C[C@]1(C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)CC12CCCC2	ZINC000832216055	680111920	/nfs/dbraw/zinc/11/19/20/680111920.db2.gz	XWEPEHUFDXKSQE-WBMJQRKESA-N	-1	3	357.376	2.378	20	30		FEEDHM
CCCN(CC)C(=O)[C@H](CC(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000751320034	680168068	/nfs/dbraw/zinc/16/80/68/680168068.db2.gz	PGCINWCDWLIGHC-HNNXBMFYSA-N	-1	3	365.499	2.398	20	30		FEEDHM
O=S(=O)(NC1CC1)c1ccc(NN=Cc2cccc(Cl)c2[O-])nc1	ZINC000753164320	680277972	/nfs/dbraw/zinc/27/79/72/680277972.db2.gz	ZZHFBDWXOFRBPM-UHFFFAOYSA-N	-1	3	366.830	2.327	20	30		FEEDHM
[O-]c1c(O)cc(C=NNC2=N[C@H]3CCCC[C@@H]3N2)cc1Br	ZINC000753936638	680325410	/nfs/dbraw/zinc/32/54/10/680325410.db2.gz	SWBDKBNDWKIDAF-QWRGUYRKSA-N	-1	3	353.220	2.054	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)OCC(=O)[C@H](C)CC)ccc1F	ZINC000756375987	680475286	/nfs/dbraw/zinc/47/52/86/680475286.db2.gz	ZERGCNXNKPJEBN-LLVKDONJSA-N	-1	3	357.403	2.062	20	30		FEEDHM
C=CCO[N-]C(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1	ZINC000837042720	680546118	/nfs/dbraw/zinc/54/61/18/680546118.db2.gz	DTJJLIRAZCFLGE-UHFFFAOYSA-N	-1	3	352.456	2.028	20	30		FEEDHM
CCOC(=O)[C@@H]1CCC(=N[N-]S(=O)(=O)Cc2ccccc2)C[C@@H]1C	ZINC000758115645	680556347	/nfs/dbraw/zinc/55/63/47/680556347.db2.gz	GXCXDJIPPKRLRW-XJKSGUPXSA-N	-1	3	352.456	2.461	20	30		FEEDHM
C[C@H](NC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21)[C@H]1CCC[C@@H](C)C1	ZINC000837154749	680561034	/nfs/dbraw/zinc/56/10/34/680561034.db2.gz	OXCLYMZFNYPUON-RDBSUJKOSA-N	-1	3	363.483	2.056	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCC[C@@H]3C[C@@H]32)ccc1F	ZINC000838259278	680681899	/nfs/dbraw/zinc/68/18/99/680681899.db2.gz	BXSGRVDBBJRMST-ZLDLUXBVSA-N	-1	3	352.431	2.208	20	30		FEEDHM
C#CCOc1cccc([C@H](C)OC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C)c1	ZINC000771600704	681062141	/nfs/dbraw/zinc/06/21/41/681062141.db2.gz	WKDRCDYQFJGZKI-XJKSGUPXSA-N	-1	3	367.467	2.267	20	30		FEEDHM
CCOC(=O)[C@H](CCOC(C)(C)C)/N=C/c1c([O-])c(C)ncc1CO	ZINC000776256761	681377338	/nfs/dbraw/zinc/37/73/38/681377338.db2.gz	GIFMDQSMEPKPTA-VYXQJKENSA-N	-1	3	352.431	2.144	20	30		FEEDHM
O=C(N[C@@H]1CCCN([O-])C1=O)c1cnc(-c2c(F)cccc2F)s1	ZINC000848130134	681477655	/nfs/dbraw/zinc/47/76/55/681477655.db2.gz	FTTBEWJWLJJGBV-SNVBAGLBSA-N	-1	3	353.350	2.198	20	30		FEEDHM
O=C(CCc1cc(Br)ccc1F)N[C@@H]1CCCN([O-])C1=O	ZINC000848135295	681478079	/nfs/dbraw/zinc/47/80/79/681478079.db2.gz	LQHYNISKWQAJCN-GFCCVEGCSA-N	-1	3	359.195	2.017	20	30		FEEDHM
O=C(CCc1nc2cc(Cl)ccc2s1)N[C@@H]1CCCN([O-])C1=O	ZINC000848137493	681478664	/nfs/dbraw/zinc/47/86/64/681478664.db2.gz	BKUDBDPJIRBQFI-SNVBAGLBSA-N	-1	3	353.831	2.379	20	30		FEEDHM
COc1ccc(C=NNCCCn2ccnc2)c(Br)c1[O-]	ZINC000848417900	681537374	/nfs/dbraw/zinc/53/73/74/681537374.db2.gz	GZVLHDWMALFVBI-UHFFFAOYSA-N	-1	3	353.220	2.374	20	30		FEEDHM
Nc1nc(Cl)cc(N=NCc2cc(O)c([O-])c(Br)c2)n1	ZINC000778544994	681622766	/nfs/dbraw/zinc/62/27/66/681622766.db2.gz	KGMVJRZATAOZGE-UHFFFAOYSA-N	-1	3	358.583	2.332	20	30		FEEDHM
C#CC1(O)CCN(C(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)CC1	ZINC000912968120	685468086	/nfs/dbraw/zinc/46/80/86/685468086.db2.gz	FILPBULSORFQPX-UHFFFAOYSA-N	-1	3	351.428	2.090	20	30		FEEDHM
COC(=O)C[C@H]1CCC(=N[N-]S(=O)(=O)CCc2ccccc2)[C@@H]1C	ZINC000794516802	682974503	/nfs/dbraw/zinc/97/45/03/682974503.db2.gz	WNZWHUDIZGMINE-UKRRQHHQSA-N	-1	3	352.456	2.114	20	30		FEEDHM
C#CC[C@@H](COC)[N-]S(=O)(=O)c1sc(C)cc1Br	ZINC000859427741	683108107	/nfs/dbraw/zinc/10/81/07/683108107.db2.gz	LYFTVGAGYMVZGK-VIFPVBQESA-N	-1	3	352.275	2.136	20	30		FEEDHM
C=C(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(C(=O)OCC)ccc1F	ZINC000795973347	683113639	/nfs/dbraw/zinc/11/36/39/683113639.db2.gz	WRHWFHPSYXKCQN-XJKSGUPXSA-N	-1	3	371.430	2.262	20	30		FEEDHM
C#CCNC(=S)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21	ZINC000865260965	683958687	/nfs/dbraw/zinc/95/86/87/683958687.db2.gz	LKOUNWKBGOMELB-LLVKDONJSA-N	-1	3	355.385	2.167	20	30		FEEDHM
COCCn1cc(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)cn1	ZINC000870143794	684687332	/nfs/dbraw/zinc/68/73/32/684687332.db2.gz	YJWBOJJZXJUEGI-LBPRGKRZSA-N	-1	3	364.764	2.283	20	30		FEEDHM
O=C(Nc1cc2c(cc1Br)CCC2)N[C@H]1CCCN([O-])C1=O	ZINC000879384016	686811362	/nfs/dbraw/zinc/81/13/62/686811362.db2.gz	JLSCQASIEAZTFG-LBPRGKRZSA-N	-1	3	368.231	2.440	20	30		FEEDHM
O=C(Nc1ccc(Br)c(C2CC2)n1)N[C@@H]1CCCN([O-])C1=O	ZINC000879660176	686881688	/nfs/dbraw/zinc/88/16/88/686881688.db2.gz	NYKAISCODJGELL-SNVBAGLBSA-N	-1	3	369.219	2.223	20	30		FEEDHM
C=C(C)C[C@H](CO)[N-]S(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C	ZINC000882847493	687512020	/nfs/dbraw/zinc/51/20/20/687512020.db2.gz	LDKUWAFVSUXHSB-SECBINFHSA-N	-1	3	367.876	2.102	20	30		FEEDHM
O=C1[C@@H](NCc2cn(-c3ccc(Cl)cc3Cl)nn2)CCCN1[O-]	ZINC000895162731	689669642	/nfs/dbraw/zinc/66/96/42/689669642.db2.gz	NHOFFFYHTUXQBK-LBPRGKRZSA-N	-1	3	356.213	2.044	20	30		FEEDHM
COc1ccc(OCc2nc(CN[C@@H]3CCCN([O-])C3=O)cs2)cc1	ZINC000895167548	689670576	/nfs/dbraw/zinc/67/05/76/689670576.db2.gz	YBDHPJLNPLHXTK-OAHLLOKOSA-N	-1	3	363.439	2.201	20	30		FEEDHM
CC(C)O[C@@]1(CS(=O)(=O)[N-]c2ccc(CCC#N)cc2)CCOC1	ZINC000901739640	690686013	/nfs/dbraw/zinc/68/60/13/690686013.db2.gz	COVZQGWNLIVLMU-KRWDZBQOSA-N	-1	3	352.456	2.469	20	30		FEEDHM
C=CCn1ncc2ccc([N-]S(=O)(=O)CC(C)(C)C(=O)OC)cc21	ZINC000901953762	690719904	/nfs/dbraw/zinc/71/99/04/690719904.db2.gz	KMRYAOITJAZTQN-UHFFFAOYSA-N	-1	3	351.428	2.163	20	30		FEEDHM
CS(=O)(=O)NCc1ccc(C(=O)N([O-])CCCCc2ccccc2)o1	ZINC000904197204	691011955	/nfs/dbraw/zinc/01/19/55/691011955.db2.gz	VUVMUVCSQKLIHA-UHFFFAOYSA-N	-1	3	366.439	2.183	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cn1)c1nc(C(F)(F)F)cs1	ZINC000907162797	691411390	/nfs/dbraw/zinc/41/13/90/691411390.db2.gz	JSZAIGCOCAPTKC-SSDOTTSWSA-N	-1	3	362.358	2.468	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)c1c(C#N)sc2ccccc21)[C@@H](O)C(F)(F)F	ZINC000907317060	691450389	/nfs/dbraw/zinc/45/03/89/691450389.db2.gz	TWRDXNRZFWHYHK-JMCQJSRRSA-N	-1	3	364.370	2.363	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)OC[C@H](F)C(F)(F)F)ccc1F	ZINC000800129211	674022225	/nfs/dbraw/zinc/02/22/25/674022225.db2.gz	MVRZODGZTCQUSN-NSHDSACASA-N	-1	3	373.299	2.347	20	30		FEEDHM
CC(C)(C(=O)N[C@@H]1CCCN([O-])C1=O)c1ccc(Br)cc1	ZINC000820471236	675364365	/nfs/dbraw/zinc/36/43/65/675364365.db2.gz	QCFNCHUGMBTWBK-GFCCVEGCSA-N	-1	3	355.232	2.223	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N=c1cc([C@@H]2CCCO2)[nH][nH]1	ZINC000527499199	539705902	/nfs/dbraw/zinc/70/59/02/539705902.db2.gz	PCPFYERDTLTKQQ-HNNXBMFYSA-N	-1	3	355.398	2.422	20	30		FEEDHM
COc1ccccc1-c1n[n-]c(NC(=O)[C@@H](C)Oc2ccccc2C#N)n1	ZINC000052779009	540488617	/nfs/dbraw/zinc/48/86/17/540488617.db2.gz	DQEYHPVTFJDBPT-GFCCVEGCSA-N	-1	3	363.377	2.180	20	30		FEEDHM
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C[C@@H]1NC(=O)[N-]C1=O	ZINC000056470020	540728580	/nfs/dbraw/zinc/72/85/80/540728580.db2.gz	HBZGGENEQMFLPB-INIZCTEOSA-N	-1	3	364.361	2.196	20	30		FEEDHM
Cc1cc(N2CCN(C)CC2)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1	ZINC000068038682	541541143	/nfs/dbraw/zinc/54/11/43/541541143.db2.gz	GCCSCGUZJLSWTE-UHFFFAOYSA-N	-1	3	370.478	2.419	20	30		FEEDHM
COC(=O)COc1cccc(C([O-])=C(C#N)c2nnc3n2CCCCC3)c1	ZINC000069345931	541679919	/nfs/dbraw/zinc/67/99/19/541679919.db2.gz	IEBXEJCLSOXTNY-OAHLLOKOSA-N	-1	3	368.393	2.046	20	30		FEEDHM
C=CCN(CC=C)[C@H](CNC(=O)c1nc2ccccc2c(=O)[n-]1)C(C)C	ZINC000074273908	542062042	/nfs/dbraw/zinc/06/20/42/542062042.db2.gz	UZEBNKSLMLOLTC-QGZVFWFLSA-N	-1	3	354.454	2.352	20	30		FEEDHM
N#Cc1nnc2ccccc2c1N1CCN(C(=O)c2cccc([O-])c2)CC1	ZINC000077489826	542388326	/nfs/dbraw/zinc/38/83/26/542388326.db2.gz	JJXHTQIWJOOEGE-UHFFFAOYSA-N	-1	3	359.389	2.169	20	30		FEEDHM
CCC[C@H](C#N)[N-]S(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1	ZINC000092351546	542859212	/nfs/dbraw/zinc/85/92/12/542859212.db2.gz	MTUNCXMAQOUMEK-GFCCVEGCSA-N	-1	3	371.528	2.423	20	30		FEEDHM
N#Cc1ccc([N-]C(=O)c2sccc2S(=O)(=O)N2CCCC2)nc1	ZINC000110287321	543354295	/nfs/dbraw/zinc/35/42/95/543354295.db2.gz	KVISVPSYAPCDIS-UHFFFAOYSA-N	-1	3	362.436	2.052	20	30		FEEDHM
COc1cccc(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)c1[O-]	ZINC000114312064	543509699	/nfs/dbraw/zinc/50/96/99/543509699.db2.gz	QOZSVPXMUJZVBT-MRXNPFEDSA-N	-1	3	351.406	2.251	20	30		FEEDHM
COc1ccc([O-])c(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)c1	ZINC000114309151	543509704	/nfs/dbraw/zinc/50/97/04/543509704.db2.gz	KVGUGSGHCBSUOT-INIZCTEOSA-N	-1	3	351.406	2.251	20	30		FEEDHM
CCNc1ccc(C#N)cc1NC(=O)c1cncc([N-]S(C)(=O)=O)c1	ZINC000552109503	674188261	/nfs/dbraw/zinc/18/82/61/674188261.db2.gz	ZEKWEEJJKNXJMB-UHFFFAOYSA-N	-1	3	359.411	2.009	20	30		FEEDHM
CCOC(=O)[C@H](C)C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000124844240	543846744	/nfs/dbraw/zinc/84/67/44/543846744.db2.gz	WNZBYWFIPYVTHA-SECBINFHSA-N	-1	3	364.345	2.055	20	30		FEEDHM
N#Cc1ccc(CN2CCCN(C(=O)c3c([O-])cccc3O)CC2)cc1	ZINC000125601998	543891375	/nfs/dbraw/zinc/89/13/75/543891375.db2.gz	VDLUOECTWRQNOB-UHFFFAOYSA-N	-1	3	351.406	2.318	20	30		FEEDHM
N#Cc1cc(F)c(S(=O)(=O)[N-][C@H]2CCN(CC3CCCC3)C2)c(F)c1	ZINC000125755517	543900358	/nfs/dbraw/zinc/90/03/58/543900358.db2.gz	XDJMQHKRWIILRC-AWEZNQCLSA-N	-1	3	369.437	2.379	20	30		FEEDHM
C#CCCCCNS(=O)(=O)c1ccc([N-]S(=O)(=O)CCCC)cc1	ZINC000126656705	543949067	/nfs/dbraw/zinc/94/90/67/543949067.db2.gz	IFSBIGUUNDXPLQ-UHFFFAOYSA-N	-1	3	372.512	2.310	20	30		FEEDHM
CC(C)([N-]S(=O)(=O)c1ccc(F)cc1C#N)C(=O)NCC1CCCC1	ZINC000128258685	544042229	/nfs/dbraw/zinc/04/22/29/544042229.db2.gz	VCFXPJOQIDRDEU-UHFFFAOYSA-N	-1	3	367.446	2.061	20	30		FEEDHM
C=CCCCN(C)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1	ZINC000133737637	544281757	/nfs/dbraw/zinc/28/17/57/544281757.db2.gz	QWARSEWKOBXCHW-UHFFFAOYSA-N	-1	3	365.908	2.287	20	30		FEEDHM
CCN(CCC#N)C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1	ZINC000138376824	544395724	/nfs/dbraw/zinc/39/57/24/544395724.db2.gz	AJEUXADSFCRFCD-UHFFFAOYSA-N	-1	3	354.432	2.224	20	30		FEEDHM
N#CC[N-]S(=O)(=O)c1csc(-c2ccc(Br)cc2)n1	ZINC000152445161	544653563	/nfs/dbraw/zinc/65/35/63/544653563.db2.gz	OJKGPXLXPBNTLZ-UHFFFAOYSA-N	-1	3	358.242	2.374	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H]3CCC[C@@H]3C2)ccc1F	ZINC000152513859	544663980	/nfs/dbraw/zinc/66/39/80/544663980.db2.gz	PCDARRATUPGPHQ-ZIAGYGMSSA-N	-1	3	352.431	2.162	20	30		FEEDHM
O=C(Nc1cccc(C#Cc2ccccc2)c1)C1CC2(C1)NC(=O)[N-]C2=O	ZINC000154725028	544941697	/nfs/dbraw/zinc/94/16/97/544941697.db2.gz	VMOTYSITRDTMRV-UHFFFAOYSA-N	-1	3	359.385	2.013	20	30		FEEDHM
Cc1cnc([C@H](C)CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)s1	ZINC000184098806	327851102	/nfs/dbraw/zinc/85/11/02/327851102.db2.gz	KNXGGFNNKMEGNK-SNVBAGLBSA-N	-1	3	358.467	2.481	20	30		FEEDHM
N#Cc1ccc([N-]S(=O)(=O)c2cc3c4c(c2)CCCN4C(=O)C3)c(F)c1	ZINC000184898550	327888161	/nfs/dbraw/zinc/88/81/61/327888161.db2.gz	RDDDBAOYTFBMSL-UHFFFAOYSA-N	-1	3	371.393	2.333	20	30		FEEDHM
Cc1ccc(C(=O)NCCC(=O)N(C)Cc2ccc(C#N)cc2)c([O-])c1	ZINC000116652319	326028587	/nfs/dbraw/zinc/02/85/87/326028587.db2.gz	PHCPYYXSEOKNOH-UHFFFAOYSA-N	-1	3	351.406	2.351	20	30		FEEDHM
COc1cccc(C(=O)N2CCN(c3cccc(F)c3C#N)CC2)c1[O-]	ZINC000121371424	326333504	/nfs/dbraw/zinc/33/35/04/326333504.db2.gz	CUUHMMRWEHLQOJ-UHFFFAOYSA-N	-1	3	355.369	2.374	20	30		FEEDHM
Cc1cc([C@](C)(O)C[N-]S(=O)(=O)c2ccc(F)cc2C#N)c(C)o1	ZINC000121903314	326374809	/nfs/dbraw/zinc/37/48/09/326374809.db2.gz	KDSVRMZCXWWYRX-MRXNPFEDSA-N	-1	3	352.387	2.093	20	30		FEEDHM
CC(C)[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)C(=O)OC(C)(C)C	ZINC000126534910	326490772	/nfs/dbraw/zinc/49/07/72/326490772.db2.gz	ANJLEDDWNRCBKD-AWEZNQCLSA-N	-1	3	356.419	2.342	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)CCOCc1ccccc1	ZINC000159270372	326925318	/nfs/dbraw/zinc/92/53/18/326925318.db2.gz	IZCRDNFWSUXJTK-UHFFFAOYSA-N	-1	3	367.449	2.471	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)[C@@H](O)c1ccc(F)cc1	ZINC000161969924	327013842	/nfs/dbraw/zinc/01/38/42/327013842.db2.gz	AURIYQANUBRSJK-BFUOFWGJSA-N	-1	3	371.412	2.173	20	30		FEEDHM
Cc1cc([C@](C)(O)CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c(C)o1	ZINC000174642573	327340785	/nfs/dbraw/zinc/34/07/85/327340785.db2.gz	WCJOMMPRKHFTSQ-HXUWFJFHSA-N	-1	3	371.437	2.030	20	30		FEEDHM
CO[C@]1(C)C[C@H](N(C)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C1(C)C	ZINC000175242022	327382002	/nfs/dbraw/zinc/38/20/02/327382002.db2.gz	LMUMINAEYTVQFG-OXJNMPFZSA-N	-1	3	359.470	2.458	20	30		FEEDHM
CC[C@H]([N-]S(=O)(=O)c1ccccc1C#N)c1nnc2n1CCCCC2	ZINC000269677970	329539521	/nfs/dbraw/zinc/53/95/21/329539521.db2.gz	RHUGQOKEVYPQMO-AWEZNQCLSA-N	-1	3	359.455	2.306	20	30		FEEDHM
COC(=O)c1csc(S(=O)(=O)[N-]C2(c3cccc(C#N)c3)CC2)c1	ZINC000269749259	329545622	/nfs/dbraw/zinc/54/56/22/329545622.db2.gz	ZEXAKQJXZJCSDT-UHFFFAOYSA-N	-1	3	362.432	2.374	20	30		FEEDHM
Cc1nc(C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)ccc1[C@H](C)O	ZINC000272147144	329755834	/nfs/dbraw/zinc/75/58/34/329755834.db2.gz	WODIWLLJTIHANA-NSHDSACASA-N	-1	3	365.842	2.447	20	30		FEEDHM
Cn1cc([C@@H]([N-]S(=O)(=O)c2ccc(C#N)s2)c2ccccc2)cn1	ZINC000367189894	330227771	/nfs/dbraw/zinc/22/77/71/330227771.db2.gz	YOQYFFDUWKRFKD-INIZCTEOSA-N	-1	3	358.448	2.421	20	30		FEEDHM
C=CCNS(=O)(=O)c1cccc(C(=O)N2CCCc3cccc([O-])c32)c1	ZINC000155570979	545543801	/nfs/dbraw/zinc/54/38/01/545543801.db2.gz	WIZMVQWXHCATIB-UHFFFAOYSA-N	-1	3	372.446	2.450	20	30		FEEDHM
N#Cc1cc(F)ccc1S(=O)(=O)[N-]CCNC(=O)CC1CCCCC1	ZINC000157004562	545687104	/nfs/dbraw/zinc/68/71/04/545687104.db2.gz	VPQOBJDTPIWSAQ-UHFFFAOYSA-N	-1	3	367.446	2.062	20	30		FEEDHM
N#CC1(CS(=O)(=O)NCc2ccc([O-])c(Br)c2)CCC1	ZINC000477494466	561146316	/nfs/dbraw/zinc/14/63/16/561146316.db2.gz	MLDXRVZJICLGHS-UHFFFAOYSA-N	-1	3	359.245	2.268	20	30		FEEDHM
CC(C)NC(=O)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(F)cc2C#N)C1	ZINC000157643259	545765082	/nfs/dbraw/zinc/76/50/82/545765082.db2.gz	DPWKZAYDSMKJAH-IUODEOHRSA-N	-1	3	367.446	2.059	20	30		FEEDHM
C=CC[C@@H](C)NS(=O)(=O)c1ccc([N-]S(=O)(=O)CCCC)cc1	ZINC000158927867	545906165	/nfs/dbraw/zinc/90/61/65/545906165.db2.gz	FAZGKNSMPLNBRK-CYBMUJFWSA-N	-1	3	360.501	2.471	20	30		FEEDHM
CC(C)C[C@H]1OCCC[C@@H]1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000478770374	561174565	/nfs/dbraw/zinc/17/45/65/561174565.db2.gz	WFEWAZNTABSNBJ-DZGCQCFKSA-N	-1	3	367.427	2.338	20	30		FEEDHM
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C#N)C1CCCCC1	ZINC000161157129	546104748	/nfs/dbraw/zinc/10/47/48/546104748.db2.gz	ICOYXBFEYWVGKP-CYBMUJFWSA-N	-1	3	353.400	2.354	20	30		FEEDHM
C[C@@H](C#N)CNC(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1	ZINC000171839391	546226551	/nfs/dbraw/zinc/22/65/51/546226551.db2.gz	IXLFQVSAKJGUBF-JTQLQIEISA-N	-1	3	369.493	2.178	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H]3[C@H](C2)C3(C)C)ccc1F	ZINC000174108982	546291969	/nfs/dbraw/zinc/29/19/69/546291969.db2.gz	XFWIDLHRHCPXSY-BETUJISGSA-N	-1	3	352.431	2.018	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCSC(C)(C)C2)ccc1F	ZINC000176628279	546469317	/nfs/dbraw/zinc/46/93/17/546469317.db2.gz	GOUIZMGIBYQWLZ-UHFFFAOYSA-N	-1	3	372.487	2.258	20	30		FEEDHM
CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCc1nnc(C(F)(F)F)[n-]1	ZINC000482236188	561250951	/nfs/dbraw/zinc/25/09/51/561250951.db2.gz	TYFDAZUBHORPMP-ZDUSSCGKSA-N	-1	3	367.331	2.415	20	30		FEEDHM
CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCc1n[n-]c(C(F)(F)F)n1	ZINC000482236188	561250952	/nfs/dbraw/zinc/25/09/52/561250952.db2.gz	TYFDAZUBHORPMP-ZDUSSCGKSA-N	-1	3	367.331	2.415	20	30		FEEDHM
CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCc1nc(C(F)(F)F)n[n-]1	ZINC000482236188	561250953	/nfs/dbraw/zinc/25/09/53/561250953.db2.gz	TYFDAZUBHORPMP-ZDUSSCGKSA-N	-1	3	367.331	2.415	20	30		FEEDHM
CN(C)C(=O)c1cc(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)cn1C	ZINC000180648157	547150833	/nfs/dbraw/zinc/15/08/33/547150833.db2.gz	FLBICXKULKNCEY-UHFFFAOYSA-N	-1	3	366.830	2.053	20	30		FEEDHM
N#CC1(c2ccc(C(=O)Nc3ccc(C[C@@H]4NC(=O)[N-]C4=O)cc3)cc2)CC1	ZINC000181025348	547233617	/nfs/dbraw/zinc/23/36/17/547233617.db2.gz	ZHUWELMMCXEIOS-KRWDZBQOSA-N	-1	3	374.400	2.245	20	30		FEEDHM
COC(=O)c1cccc(CS(=O)(=O)[N-][C@]2(C#N)CCC[C@H](C)C2)c1	ZINC000182012979	547422350	/nfs/dbraw/zinc/42/23/50/547422350.db2.gz	KAILQNRUPKHMBB-SUMWQHHRSA-N	-1	3	350.440	2.365	20	30		FEEDHM
CCN(CC)C(=O)CCC[N-]S(=O)(=O)c1cc(C#N)ccc1Cl	ZINC000186287029	548113186	/nfs/dbraw/zinc/11/31/86/548113186.db2.gz	OTNMCGWSJASCNC-UHFFFAOYSA-N	-1	3	357.863	2.139	20	30		FEEDHM
CC(C)[C@@](C)(C#N)[N-]C(=O)C(F)(F)c1ccc(OCC(=O)N(C)C)cc1	ZINC000186611943	548159338	/nfs/dbraw/zinc/15/93/38/548159338.db2.gz	NCJPXZGTRCRFAT-QGZVFWFLSA-N	-1	3	367.396	2.300	20	30		FEEDHM
C=CCNC(=O)C[N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1	ZINC000187662482	548261591	/nfs/dbraw/zinc/26/15/91/548261591.db2.gz	NGCSMTWQTICYEQ-UHFFFAOYSA-N	-1	3	372.874	2.099	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@]1(C#N)CCC[C@@H](C)C1	ZINC000246872211	549233136	/nfs/dbraw/zinc/23/31/36/549233136.db2.gz	FOSFCQKEMGJEMH-TYNCELHUSA-N	-1	3	355.485	2.004	20	30		FEEDHM
C=CCC(C)(C)CNC(=O)CC[N-]S(=O)(=O)c1ccc(F)c(F)c1	ZINC000489798075	561419205	/nfs/dbraw/zinc/41/92/05/561419205.db2.gz	VSKXPGVCWPKBCF-UHFFFAOYSA-N	-1	3	360.426	2.352	20	30		FEEDHM
C=CCC(C)(C)CNC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1	ZINC000489826729	561419849	/nfs/dbraw/zinc/41/98/49/561419849.db2.gz	PRZXRYLSPCUWAB-UHFFFAOYSA-N	-1	3	350.893	2.398	20	30		FEEDHM
Cc1ccc(C(=O)NCCC(=O)NCc2ccc(OCC#N)cc2)c([O-])c1	ZINC000263927283	549955966	/nfs/dbraw/zinc/95/59/66/549955966.db2.gz	BCKAELSRHDSOKS-UHFFFAOYSA-N	-1	3	367.405	2.039	20	30		FEEDHM
CC(C)[C@@H](C#N)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1	ZINC000264688180	549999606	/nfs/dbraw/zinc/99/96/06/549999606.db2.gz	ABDIXBJYMCDEGY-CYBMUJFWSA-N	-1	3	355.435	2.180	20	30		FEEDHM
CCOC(=O)Nc1ccc([N-]S(=O)(=O)C[C@H]2CCCO2)cc1C#N	ZINC000269671327	550215790	/nfs/dbraw/zinc/21/57/90/550215790.db2.gz	BHJOWRVEPCEOIC-CYBMUJFWSA-N	-1	3	353.400	2.047	20	30		FEEDHM
COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@@H](C#N)C2CCCCC2)s1	ZINC000270156367	550252679	/nfs/dbraw/zinc/25/26/79/550252679.db2.gz	XMFWEQHZBHQLHR-NSHDSACASA-N	-1	3	372.468	2.294	20	30		FEEDHM
CC[C@H]([N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)[C@H](O)C(F)(F)F	ZINC000270884531	550317535	/nfs/dbraw/zinc/31/75/35/550317535.db2.gz	WLYSWWZNCAJQBY-QWRGUYRKSA-N	-1	3	356.753	2.192	20	30		FEEDHM
C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2O[C@H](C)C#N)c(C)o1	ZINC000272552153	550457820	/nfs/dbraw/zinc/45/78/20/550457820.db2.gz	MIRIPFLHNVCUEJ-SNVBAGLBSA-N	-1	3	363.395	2.039	20	30		FEEDHM
CCCC[C@H](ON=C(C)C)C(=O)Nc1ccc(C[C@H]2NC(=O)[N-]C2=O)cc1	ZINC000273676300	550507418	/nfs/dbraw/zinc/50/74/18/550507418.db2.gz	YKPXXLWIDSHPTC-CVEARBPZSA-N	-1	3	374.441	2.347	20	30		FEEDHM
C=CCCO[C@H](C)c1nc(-c2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)no1	ZINC000273826770	550512835	/nfs/dbraw/zinc/51/28/35/550512835.db2.gz	VWZZRXFSANABIP-ZMZPIMSZSA-N	-1	3	356.382	2.445	20	30		FEEDHM
COC(=O)c1c(CC(C)C)csc1[N-]C(=O)C(=O)N(C)C[C@@H](C)C#N	ZINC000275682889	550573755	/nfs/dbraw/zinc/57/37/55/550573755.db2.gz	LFOFCGDVERCXSE-NSHDSACASA-N	-1	3	365.455	2.290	20	30		FEEDHM
CC[C@@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2ccc(F)c(C#N)c2)n[nH]1	ZINC000276813484	550598998	/nfs/dbraw/zinc/59/89/98/550598998.db2.gz	HPENIGOVPNSEJL-ZJUUUORDSA-N	-1	3	351.407	2.368	20	30		FEEDHM
C=CCN1CC[C@H](N(C)Cc2ccc(OC)c([O-])c2Br)C1=O	ZINC000281338053	551086151	/nfs/dbraw/zinc/08/61/51/551086151.db2.gz	SOEKMARKDGMQKC-LBPRGKRZSA-N	-1	3	369.259	2.382	20	30		FEEDHM
C[C@@H](CC#N)N(C)S(=O)(=O)[N-][C@@H](c1nccs1)c1ccccc1	ZINC000283067964	551306577	/nfs/dbraw/zinc/30/65/77/551306577.db2.gz	UOKLPQRZXNDFEE-GXTWGEPZSA-N	-1	3	350.469	2.301	20	30		FEEDHM
CCCOc1ccc(/C=N/[C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)c([O-])c1	ZINC000285256169	551727440	/nfs/dbraw/zinc/72/74/40/551727440.db2.gz	GZQRTYATCAHTEQ-SRKDWSFESA-N	-1	3	356.426	2.305	20	30		FEEDHM
CC(C)(C#N)c1ccc(C(=O)N2CCC[C@H]2C[C@]2(C)NC(=O)[N-]C2=O)cc1	ZINC000286163424	551856068	/nfs/dbraw/zinc/85/60/68/551856068.db2.gz	JNPSWBGIRZDLDG-YWZLYKJASA-N	-1	3	368.437	2.081	20	30		FEEDHM
CSc1nnc(NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)[n-]1	ZINC000286187511	551859066	/nfs/dbraw/zinc/85/90/66/551859066.db2.gz	ZPRJQMUUHOQJJY-UHFFFAOYSA-N	-1	3	360.418	2.392	20	30		FEEDHM
CSc1n[n-]c(NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)n1	ZINC000286187511	551859067	/nfs/dbraw/zinc/85/90/67/551859067.db2.gz	ZPRJQMUUHOQJJY-UHFFFAOYSA-N	-1	3	360.418	2.392	20	30		FEEDHM
CSc1nc(NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)n[n-]1	ZINC000286187511	551859068	/nfs/dbraw/zinc/85/90/68/551859068.db2.gz	ZPRJQMUUHOQJJY-UHFFFAOYSA-N	-1	3	360.418	2.392	20	30		FEEDHM
CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@]2(C#N)CC2(C)C)cc1Cl	ZINC000290988671	552573177	/nfs/dbraw/zinc/57/31/77/552573177.db2.gz	STXIIGXDAMNHFQ-CQSZACIVSA-N	-1	3	359.810	2.408	20	30		FEEDHM
N#Cc1ccc(O[C@@H]2CCN(Cc3cc(=O)oc4cc([O-])ccc34)C2)nc1	ZINC000292272557	552710896	/nfs/dbraw/zinc/71/08/96/552710896.db2.gz	SGYZJRAXOJQEFJ-MRXNPFEDSA-N	-1	3	363.373	2.419	20	30		FEEDHM
CCC(CC)CN(CCC#N)C(=O)c1cncc([N-]S(C)(=O)=O)c1	ZINC000503262918	561638548	/nfs/dbraw/zinc/63/85/48/561638548.db2.gz	ZCFSSEZDAHDIPH-UHFFFAOYSA-N	-1	3	352.460	2.245	20	30		FEEDHM
N#CCCN(C(=O)c1cc(F)cc2[n-]nnc21)c1ccc2c(c1)OCCO2	ZINC000503310118	561639184	/nfs/dbraw/zinc/63/91/84/561639184.db2.gz	JDSJPNSBMPSRQH-UHFFFAOYSA-N	-1	3	367.340	2.429	20	30		FEEDHM
N#CCCN(C(=O)c1cc(F)cc2nn[n-]c21)c1ccc2c(c1)OCCO2	ZINC000503310118	561639185	/nfs/dbraw/zinc/63/91/85/561639185.db2.gz	JDSJPNSBMPSRQH-UHFFFAOYSA-N	-1	3	367.340	2.429	20	30		FEEDHM
N#CCCN(C(=O)c1cc(F)cc2n[n-]nc21)c1ccc2c(c1)OCCO2	ZINC000503310118	561639186	/nfs/dbraw/zinc/63/91/86/561639186.db2.gz	JDSJPNSBMPSRQH-UHFFFAOYSA-N	-1	3	367.340	2.429	20	30		FEEDHM
COc1ccc([C@@H](C/N=C/c2c([O-])c(C)ncc2CO)N(C)C)cc1OC	ZINC000299505542	553573004	/nfs/dbraw/zinc/57/30/04/553573004.db2.gz	VHSMRJKXYOHMLF-LYUVJKPTSA-N	-1	3	373.453	2.327	20	30		FEEDHM
CC(=O)N1CC[C@@H](NC(=O)c2cc(=O)[n-]c(N(C)C)n2)c2ccccc21	ZINC000328710519	553810718	/nfs/dbraw/zinc/81/07/18/553810718.db2.gz	BSBOZHNBKJCSCA-CYBMUJFWSA-N	-1	3	355.398	2.051	20	30		FEEDHM
CCN(C[C@@H](C)C#N)S(=O)(=O)[N-][C@@H](C)c1nc(C2CCCCC2)no1	ZINC000330383900	554114294	/nfs/dbraw/zinc/11/42/94/554114294.db2.gz	KEYIZIQJDDQNMV-STQMWFEESA-N	-1	3	369.491	2.494	20	30		FEEDHM
CC(=O)Nc1ccc([O-])c(C(=O)NC2CCC(S(C)(=O)=O)CC2)c1	ZINC000330458388	554124531	/nfs/dbraw/zinc/12/45/31/554124531.db2.gz	PGEDFKSLFRWBIR-UHFFFAOYSA-N	-1	3	354.428	2.011	20	30		FEEDHM
CSCC[C@](C)(C#N)[N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2	ZINC000508109637	561752124	/nfs/dbraw/zinc/75/21/24/561752124.db2.gz	ANOIXMBKYAQATR-OAHLLOKOSA-N	-1	3	371.459	2.024	20	30		FEEDHM
N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@@H]1CCC[C@@H]1C#N	ZINC000330667858	554154055	/nfs/dbraw/zinc/15/40/55/554154055.db2.gz	JIAOBMCCHMUGDF-BXKDBHETSA-N	-1	3	354.229	2.291	20	30		FEEDHM
C[N-]S(=O)(=O)c1cc(C(=O)N[C@]2(CO)C[C@H](C)CC(C)(C)C2)c(C)o1	ZINC000330876387	554181712	/nfs/dbraw/zinc/18/17/12/554181712.db2.gz	VEPRFBBMLZRIJG-PIGZYNQJSA-N	-1	3	372.487	2.378	20	30		FEEDHM
CCNC(=O)N1CCc2ccc([N-]S(=O)(=O)CC(C)(C)OC)cc21	ZINC000331244479	554236135	/nfs/dbraw/zinc/23/61/35/554236135.db2.gz	SKLXMHRZYWKNCH-UHFFFAOYSA-N	-1	3	355.460	2.150	20	30		FEEDHM
O=C(NC[C@H]1CCCCN1CCO)c1cc(Br)ccc1[O-]	ZINC000331316059	554246600	/nfs/dbraw/zinc/24/66/00/554246600.db2.gz	JDDXTUFOYXZZRD-GFCCVEGCSA-N	-1	3	357.248	2.306	20	30		FEEDHM
O=C(NC[C@@H]1CCCCN1CCO)c1ccc(Br)cc1[O-]	ZINC000331329596	554247936	/nfs/dbraw/zinc/24/79/36/554247936.db2.gz	OCUCMOHUINDZQL-LBPRGKRZSA-N	-1	3	357.248	2.306	20	30		FEEDHM
N#Cc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CCCCC[C@H]1O	ZINC000332366205	554432872	/nfs/dbraw/zinc/43/28/72/554432872.db2.gz	YOWBDTHUOUKHIN-CHWSQXEVSA-N	-1	3	373.272	2.293	20	30		FEEDHM
Cn1cc(C#N)c(=NC(=O)N2CCCN(CCCc3ccccc3)CC2)[n-]1	ZINC000610565593	554530824	/nfs/dbraw/zinc/53/08/24/554530824.db2.gz	ZMVOCLGLYPBDHN-UHFFFAOYSA-N	-1	3	366.469	2.464	20	30		FEEDHM
Cc1cc(CC[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)on1	ZINC000511358754	561866595	/nfs/dbraw/zinc/86/65/95/561866595.db2.gz	JHHGFJIAPXCHLV-UHFFFAOYSA-N	-1	3	359.329	2.395	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)Cc1nccn1C(F)F	ZINC000512771348	561914814	/nfs/dbraw/zinc/91/48/14/561914814.db2.gz	LKMPBACOHVNOED-UHFFFAOYSA-N	-1	3	363.368	2.459	20	30		FEEDHM
C#CCCCS(=O)(=O)[N-]Cc1noc(-c2ccc(Cl)cc2F)n1	ZINC000367751127	556130274	/nfs/dbraw/zinc/13/02/74/556130274.db2.gz	DCNHUFLPPKQWLO-UHFFFAOYSA-N	-1	3	357.794	2.362	20	30		FEEDHM
N#Cc1c(Cl)cccc1S(=O)(=O)[N-]Cc1nnc(C2CC2)s1	ZINC000516633817	562052086	/nfs/dbraw/zinc/05/20/86/562052086.db2.gz	XKZUZCSVWFPFDH-UHFFFAOYSA-N	-1	3	354.844	2.419	20	30		FEEDHM
Cc1nc(C)c(CCC(=O)N2CCC[C@]3(CCCCO3)[C@@H]2C#N)c(=O)[n-]1	ZINC000373369340	557680643	/nfs/dbraw/zinc/68/06/43/557680643.db2.gz	NKEFLPCYTIVRJE-QFBILLFUSA-N	-1	3	358.442	2.186	20	30		FEEDHM
Cn1ccc([C@H]([N-]S(=O)(=O)c2ccccc2C#N)c2ccc(F)cc2)n1	ZINC000374516155	557893700	/nfs/dbraw/zinc/89/37/00/557893700.db2.gz	ZGUWDGLJVVNZSN-GOSISDBHSA-N	-1	3	370.409	2.499	20	30		FEEDHM
N#Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2cccc(-n3cncn3)c2)c1	ZINC000375370622	558016907	/nfs/dbraw/zinc/01/69/07/558016907.db2.gz	QUBCYJFQGNHAOX-UHFFFAOYSA-N	-1	3	373.825	2.271	20	30		FEEDHM
N#Cc1ccc(CC(C#N)C(=O)N2CCC(c3n[n-]c(=S)o3)CC2)cc1	ZINC000375694006	558068821	/nfs/dbraw/zinc/06/88/21/558068821.db2.gz	VAQCGWIYCRWPQV-HNNXBMFYSA-N	-1	3	367.434	2.318	20	30		FEEDHM
C=CCn1c(=O)[n-]nc1S(=O)(=O)[C@H](C)c1ncc(-c2ccccc2)o1	ZINC000376755554	558217375	/nfs/dbraw/zinc/21/73/75/558217375.db2.gz	ADMNYNXFTHOLFQ-LLVKDONJSA-N	-1	3	360.395	2.360	20	30		FEEDHM
CCN(C[C@@H](C)C#N)S(=O)(=O)[N-][C@H](COCC(C)C)c1ccco1	ZINC000409589117	558706034	/nfs/dbraw/zinc/70/60/34/558706034.db2.gz	LKRWFDCAIWYOBJ-LSDHHAIUSA-N	-1	3	357.476	2.309	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCC(=O)NC1CCCCC1	ZINC000409640499	558709534	/nfs/dbraw/zinc/70/95/34/558709534.db2.gz	IWYIQQDFYSDDAK-UHFFFAOYSA-N	-1	3	372.469	2.164	20	30		FEEDHM
COc1ccc(Br)c(CS(=O)(=O)[N-][C@H](C#N)C(C)C)c1	ZINC000410338505	558752241	/nfs/dbraw/zinc/75/22/41/558752241.db2.gz	FAFQJJUBUZMNKQ-CYBMUJFWSA-N	-1	3	361.261	2.425	20	30		FEEDHM
N#Cc1ccc(N2CCC[C@@H](NC(=O)c3cccc4nn[n-]c43)C2)c(F)c1	ZINC000525866218	562257817	/nfs/dbraw/zinc/25/78/17/562257817.db2.gz	JDSIFMXPUBOXMQ-CYBMUJFWSA-N	-1	3	364.384	2.367	20	30		FEEDHM
N#Cc1ccc(N2CCC[C@@H](NC(=O)c3cccc4[n-]nnc43)C2)c(F)c1	ZINC000525866218	562257818	/nfs/dbraw/zinc/25/78/18/562257818.db2.gz	JDSIFMXPUBOXMQ-CYBMUJFWSA-N	-1	3	364.384	2.367	20	30		FEEDHM
N#Cc1ccc(N2CCC[C@@H](NC(=O)c3cccc4n[n-]nc43)C2)c(F)c1	ZINC000525866218	562257819	/nfs/dbraw/zinc/25/78/19/562257819.db2.gz	JDSIFMXPUBOXMQ-CYBMUJFWSA-N	-1	3	364.384	2.367	20	30		FEEDHM
N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CCc2cn3c(n2)SCC3)c1	ZINC000526050621	562265289	/nfs/dbraw/zinc/26/52/89/562265289.db2.gz	OLZLTTLYIGTLGZ-UHFFFAOYSA-N	-1	3	368.871	2.035	20	30		FEEDHM
N#Cc1ccc(Br)cc1S(=O)(=O)[N-][C@H]1CCO[C@H]1C1CC1	ZINC000416441702	559313129	/nfs/dbraw/zinc/31/31/29/559313129.db2.gz	RLLGUNZGNLGCND-JSGCOSHPSA-N	-1	3	371.256	2.167	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1C#N)[C@@H]1CCCOC1	ZINC000416452496	559313839	/nfs/dbraw/zinc/31/38/39/559313839.db2.gz	CZEHAYJRYIAEFT-CMPLNLGQSA-N	-1	3	373.272	2.414	20	30		FEEDHM
C[C@H]1C[C@H](C[N-]S(=O)(=O)c2cc(Br)ccc2C#N)CCO1	ZINC000416456568	559314248	/nfs/dbraw/zinc/31/42/48/559314248.db2.gz	WGBNXZFBPIXPNG-WDEREUQCSA-N	-1	3	373.272	2.414	20	30		FEEDHM
COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-][C@H]1CC[C@@H](CC#N)C1	ZINC000416493717	559317429	/nfs/dbraw/zinc/31/74/29/559317429.db2.gz	IEFOVPBUEGGWFX-QWRGUYRKSA-N	-1	3	356.831	2.487	20	30		FEEDHM
C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(Br)c2C#N)CS1	ZINC000416602818	559324561	/nfs/dbraw/zinc/32/45/61/559324561.db2.gz	XHVFXPWJRHQLQH-RKDXNWHRSA-N	-1	3	361.286	2.493	20	30		FEEDHM
N#Cc1ccc(Br)cc1S(=O)(=O)[N-]CCCC1(O)CCC1	ZINC000420716408	559500105	/nfs/dbraw/zinc/50/01/05/559500105.db2.gz	JRDDQFYHJHTZST-UHFFFAOYSA-N	-1	3	373.272	2.294	20	30		FEEDHM
COC(=O)[C@@H](CNC(=O)c1cccc(C#N)c1C)Cc1ccc([O-])c(F)c1	ZINC000422036706	559562045	/nfs/dbraw/zinc/56/20/45/559562045.db2.gz	JAXLCQWGSBSLHF-OAHLLOKOSA-N	-1	3	370.380	2.473	20	30		FEEDHM
COC(=O)[C@H](CNC(=O)Cc1ccc(C#N)cc1)Cc1ccc([O-])c(F)c1	ZINC000422050527	559562903	/nfs/dbraw/zinc/56/29/03/559562903.db2.gz	XNBNFUPDSJCWSO-INIZCTEOSA-N	-1	3	370.380	2.094	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-][C@@H](c1ccc(F)cc1)[C@H]1CCCO1	ZINC000428225727	559771717	/nfs/dbraw/zinc/77/17/17/559771717.db2.gz	FWGRQNWXYZKVGU-WBVHZDCISA-N	-1	3	361.398	2.291	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-]CCCOc1cccc2cccnc21	ZINC000428252106	559772424	/nfs/dbraw/zinc/77/24/24/559772424.db2.gz	FBKGFOSRPDSPOX-UHFFFAOYSA-N	-1	3	368.418	2.249	20	30		FEEDHM
CC[C@@H](C[N-]S(=O)(=O)c1cccnc1C#N)N1CCc2ccccc2C1	ZINC000428263950	559772591	/nfs/dbraw/zinc/77/25/91/559772591.db2.gz	KXEYYEGOHFHFFM-KRWDZBQOSA-N	-1	3	370.478	2.068	20	30		FEEDHM
COC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2C)cc1	ZINC000431188625	559835567	/nfs/dbraw/zinc/83/55/67/559835567.db2.gz	WZUWJRQOHNYXTL-UHFFFAOYSA-N	-1	3	360.391	2.219	20	30		FEEDHM
CSc1nnc(CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)s1	ZINC000527340808	562286013	/nfs/dbraw/zinc/28/60/13/562286013.db2.gz	BLQKYEJBNZEJGX-UHFFFAOYSA-N	-1	3	363.468	2.098	20	30		FEEDHM
C=CCC(C)(C)CNS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1	ZINC000432261795	559855075	/nfs/dbraw/zinc/85/50/75/559855075.db2.gz	HDIOMCIRMYEIFJ-UHFFFAOYSA-N	-1	3	355.851	2.401	20	30		FEEDHM
C=CCC(C)(C)CNS(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1	ZINC000432261795	559855076	/nfs/dbraw/zinc/85/50/76/559855076.db2.gz	HDIOMCIRMYEIFJ-UHFFFAOYSA-N	-1	3	355.851	2.401	20	30		FEEDHM
N#Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)c1	ZINC000527358526	562286429	/nfs/dbraw/zinc/28/64/29/562286429.db2.gz	IFWRHIXXLRWCMK-UHFFFAOYSA-N	-1	3	363.782	2.343	20	30		FEEDHM
CC(=O)Nc1ccc(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)cn1	ZINC000433342815	559877741	/nfs/dbraw/zinc/87/77/41/559877741.db2.gz	KUHTXVASKMUJMH-UHFFFAOYSA-N	-1	3	364.814	2.044	20	30		FEEDHM
Cn1cc(C[N-]S(=O)(=O)c2ccc(C#N)s2)c(-c2ccccc2)n1	ZINC000435435196	559923113	/nfs/dbraw/zinc/92/31/13/559923113.db2.gz	XFXDSCKIHSEJFJ-UHFFFAOYSA-N	-1	3	358.448	2.499	20	30		FEEDHM
COc1cc(OC)c(C[N-]S(=O)(=O)c2ccc(C#N)s2)c(OC)c1	ZINC000435442800	559923279	/nfs/dbraw/zinc/92/32/79/559923279.db2.gz	KMMDZGWWTBPRER-UHFFFAOYSA-N	-1	3	368.436	2.124	20	30		FEEDHM
C=C(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1ccc(Br)cn1	ZINC000435599600	559925846	/nfs/dbraw/zinc/92/58/46/559925846.db2.gz	XJEBBEFNFGZKRM-GXFFZTMASA-N	-1	3	361.261	2.104	20	30		FEEDHM
C=C(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-]	ZINC000435601306	559925984	/nfs/dbraw/zinc/92/59/84/559925984.db2.gz	LJSJIBGCVJEFGZ-HIFRSBDPSA-N	-1	3	354.428	2.471	20	30		FEEDHM
CC(C)Oc1ccc(NC(=O)C(=O)NCc2ccc([O-])c(F)c2)cc1C#N	ZINC000435830325	559930792	/nfs/dbraw/zinc/93/07/92/559930792.db2.gz	DTPTWWMRRYRAJY-UHFFFAOYSA-N	-1	3	371.368	2.445	20	30		FEEDHM
COc1ccc(C([O-])=C(C#N)c2nc(N)nc(Nc3ccccc3)n2)c(C)c1	ZINC000442643655	560054153	/nfs/dbraw/zinc/05/41/53/560054153.db2.gz	GVZUIUSXWFWPIR-INIZCTEOSA-N	-1	3	374.404	2.426	20	30		FEEDHM
C[C@@H]1CCC[C@H](C)N1CC[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000443063285	560068663	/nfs/dbraw/zinc/06/86/63/560068663.db2.gz	ACWIEYGWDIMNRL-BETUJISGSA-N	-1	3	366.443	2.008	20	30		FEEDHM
Cc1nccn1CCCC[N-]S(=O)(=O)c1cccc(Cl)c1C#N	ZINC000443256299	560076438	/nfs/dbraw/zinc/07/64/38/560076438.db2.gz	XVZOWMSHAPTTBQ-UHFFFAOYSA-N	-1	3	352.847	2.475	20	30		FEEDHM
COC(=O)[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1C#N)CC(C)C	ZINC000443259261	560076603	/nfs/dbraw/zinc/07/66/03/560076603.db2.gz	ZPPWCTWNJCFYTF-NSHDSACASA-N	-1	3	358.847	2.325	20	30		FEEDHM
N#Cc1cnc(NC2CCN(C(=O)c3ccccc3[O-])CC2)c([N+](=O)[O-])c1	ZINC000450293481	560257459	/nfs/dbraw/zinc/25/74/59/560257459.db2.gz	JMRQOHPYZMQJMH-UHFFFAOYSA-N	-1	3	367.365	2.284	20	30		FEEDHM
CC[C@@H]([N-]S(=O)(=O)c1ccc(CC#N)cc1Cl)[C@H](O)C(F)(F)F	ZINC000451356598	560302498	/nfs/dbraw/zinc/30/24/98/560302498.db2.gz	FIJCQILXLNBAPG-PWSUYJOCSA-N	-1	3	370.780	2.386	20	30		FEEDHM
CC[C@H]([N-]S(=O)(=O)c1ccc(CC#N)cc1Cl)[C@H](O)C(F)(F)F	ZINC000451356596	560302512	/nfs/dbraw/zinc/30/25/12/560302512.db2.gz	FIJCQILXLNBAPG-JQWIXIFHSA-N	-1	3	370.780	2.386	20	30		FEEDHM
CC(C)(C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1ccccn1	ZINC000451673005	560321292	/nfs/dbraw/zinc/32/12/92/560321292.db2.gz	RMDMEVXZJVMNLO-UHFFFAOYSA-N	-1	3	360.395	2.118	20	30		FEEDHM
CC[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1C#N)[C@@H](O)CC	ZINC000451976322	560341616	/nfs/dbraw/zinc/34/16/16/560341616.db2.gz	BEHJPMQQCNMPRI-NEPJUHHUSA-N	-1	3	361.261	2.149	20	30		FEEDHM
C=CCC[C@@H]([N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])C(=O)OCC	ZINC000451994104	560343548	/nfs/dbraw/zinc/34/35/48/560343548.db2.gz	NWGJKTLMNNQMJE-GFCCVEGCSA-N	-1	3	356.400	2.079	20	30		FEEDHM
CC(C)[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCC(C)(C)CC#N	ZINC000458018986	560599473	/nfs/dbraw/zinc/59/94/73/560599473.db2.gz	HVSKZEDBLFRDML-HNNXBMFYSA-N	-1	3	369.462	2.185	20	30		FEEDHM
C=C[C@H](C)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1ccccc1C(F)(F)F	ZINC000465123908	560858587	/nfs/dbraw/zinc/85/85/87/560858587.db2.gz	YSQHSQGLGBCKEF-VHSXEESVSA-N	-1	3	350.362	2.063	20	30		FEEDHM
C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NCc1ncccc1[O-]	ZINC000473036489	561040860	/nfs/dbraw/zinc/04/08/60/561040860.db2.gz	PBAOKZJORLGAEC-LBPRGKRZSA-N	-1	3	370.434	2.294	20	30		FEEDHM
O=C(NCc1ncccc1[O-])C(=O)Nc1ccccc1C#Cc1ccccc1	ZINC000473046858	561041196	/nfs/dbraw/zinc/04/11/96/561041196.db2.gz	JTBHKAGMWAHSOO-UHFFFAOYSA-N	-1	3	371.396	2.442	20	30		FEEDHM
CC#CCC[N-]S(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2	ZINC000476503485	561120969	/nfs/dbraw/zinc/12/09/69/561120969.db2.gz	IANLYGFDPZHSDO-UHFFFAOYSA-N	-1	3	371.256	2.026	20	30		FEEDHM
CC(C)c1nc([C@@H](C)[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)n[nH]1	ZINC000476506111	561121174	/nfs/dbraw/zinc/12/11/74/561121174.db2.gz	GHILQWWEXGVRBW-SECBINFHSA-N	-1	3	353.835	2.493	20	30		FEEDHM
COc1ccc(S(=O)(=O)[N-]c2cccc(CNC(=O)CC#N)c2)cc1	ZINC000477019674	561134392	/nfs/dbraw/zinc/13/43/92/561134392.db2.gz	NCNFWIYUZNXKPP-UHFFFAOYSA-N	-1	3	359.407	2.026	20	30		FEEDHM
Cc1cccc(S(=O)(=O)[N-]C[C@@H](n2cccn2)C(F)(F)F)c1C#N	ZINC000528451790	562330118	/nfs/dbraw/zinc/33/01/18/562330118.db2.gz	MSZSWNGPGXQXHS-CYBMUJFWSA-N	-1	3	358.345	2.145	20	30		FEEDHM
C=C(C)C[C@@H](NC(=O)Cc1ccc(Br)cc1[O-])C(=O)OC	ZINC000601788113	567841315	/nfs/dbraw/zinc/84/13/15/567841315.db2.gz	QRLJJNLHZNSSBM-GFCCVEGCSA-N	-1	3	356.216	2.321	20	30		FEEDHM
C[C@@H]1CCC[C@@](C#N)([N-]S(=O)(=O)c2c(C(F)(F)F)cnn2C)C1	ZINC000601962715	567888013	/nfs/dbraw/zinc/88/80/13/567888013.db2.gz	ONQIYNFHFTXRAH-BXKDBHETSA-N	-1	3	350.366	2.190	20	30		FEEDHM
C#Cc1cccc(N(CC)S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)c1	ZINC000735391605	598844776	/nfs/dbraw/zinc/84/47/76/598844776.db2.gz	UUHMMYWFKZCJNW-UHFFFAOYSA-N	-1	3	371.397	2.202	20	30		FEEDHM
C#Cc1cccc(N(CC)S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)c1	ZINC000735391605	598844778	/nfs/dbraw/zinc/84/47/78/598844778.db2.gz	UUHMMYWFKZCJNW-UHFFFAOYSA-N	-1	3	371.397	2.202	20	30		FEEDHM
COC(=O)[C@H](c1ccc(C#N)cc1)N(C)Cc1ccc(-c2nnn[n-]2)cc1	ZINC000736909508	598860138	/nfs/dbraw/zinc/86/01/38/598860138.db2.gz	QHAKJFIHJFAVQD-KRWDZBQOSA-N	-1	3	362.393	2.084	20	30		FEEDHM
COC(=O)[C@H](c1ccc(C#N)cc1)N(C)Cc1ccc(-c2nn[n-]n2)cc1	ZINC000736909508	598860139	/nfs/dbraw/zinc/86/01/39/598860139.db2.gz	QHAKJFIHJFAVQD-KRWDZBQOSA-N	-1	3	362.393	2.084	20	30		FEEDHM
CC[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)c1c(C)noc1C	ZINC000736311963	598918274	/nfs/dbraw/zinc/91/82/74/598918274.db2.gz	CZHZQBUKPKMPHO-ZDUSSCGKSA-N	-1	3	351.370	2.476	20	30		FEEDHM
CC[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1c(C)noc1C	ZINC000736311963	598918276	/nfs/dbraw/zinc/91/82/76/598918276.db2.gz	CZHZQBUKPKMPHO-ZDUSSCGKSA-N	-1	3	351.370	2.476	20	30		FEEDHM
CCOc1ccc(C=NNCc2ccc(-c3nnn[n-]3)cc2)cc1OC	ZINC000821418259	607253332	/nfs/dbraw/zinc/25/33/32/607253332.db2.gz	YFHQAWZYUQXZOR-UHFFFAOYSA-N	-1	3	352.398	2.398	20	30		FEEDHM
CCOc1ccc(C=NNCc2ccc(-c3nn[n-]n3)cc2)cc1OC	ZINC000821418259	607253333	/nfs/dbraw/zinc/25/33/33/607253333.db2.gz	YFHQAWZYUQXZOR-UHFFFAOYSA-N	-1	3	352.398	2.398	20	30		FEEDHM
Cc1ccc(C#N)cc1S(=O)(=O)Oc1ccc(-c2nnn[n-]2)cc1C	ZINC000737221911	598956233	/nfs/dbraw/zinc/95/62/33/598956233.db2.gz	SEFIRFJFCLZPOE-UHFFFAOYSA-N	-1	3	355.379	2.123	20	30		FEEDHM
Cc1ccc(C#N)cc1S(=O)(=O)Oc1ccc(-c2nn[n-]n2)cc1C	ZINC000737221911	598956235	/nfs/dbraw/zinc/95/62/35/598956235.db2.gz	SEFIRFJFCLZPOE-UHFFFAOYSA-N	-1	3	355.379	2.123	20	30		FEEDHM
C=CC[C@H](NC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1)c1ccncc1	ZINC000735409590	598968987	/nfs/dbraw/zinc/96/89/87/598968987.db2.gz	GMAPMPOXNJPSSP-DYVFJYSZSA-N	-1	3	364.409	2.463	20	30		FEEDHM
C=CC[C@@H](NC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1)c1ccncc1	ZINC000735409592	598969348	/nfs/dbraw/zinc/96/93/48/598969348.db2.gz	GMAPMPOXNJPSSP-SUMWQHHRSA-N	-1	3	364.409	2.463	20	30		FEEDHM
COCCN(C(=O)C=Cc1ccccc1C#N)c1ccc(-c2nnn[n-]2)cc1	ZINC000736987360	599114222	/nfs/dbraw/zinc/11/42/22/599114222.db2.gz	CRWSIRCSKLQPRI-FLIBITNWSA-N	-1	3	374.404	2.431	20	30		FEEDHM
COCCN(C(=O)C=Cc1ccccc1C#N)c1ccc(-c2nn[n-]n2)cc1	ZINC000736987360	599114225	/nfs/dbraw/zinc/11/42/25/599114225.db2.gz	CRWSIRCSKLQPRI-FLIBITNWSA-N	-1	3	374.404	2.431	20	30		FEEDHM
Cc1noc(-c2ccccc2C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)n1	ZINC000737535544	599192044	/nfs/dbraw/zinc/19/20/44/599192044.db2.gz	ZIKUDUSWCBPLNR-UHFFFAOYSA-N	-1	3	372.348	2.349	20	30		FEEDHM
Cc1noc(-c2ccccc2C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)n1	ZINC000737535544	599192046	/nfs/dbraw/zinc/19/20/46/599192046.db2.gz	ZIKUDUSWCBPLNR-UHFFFAOYSA-N	-1	3	372.348	2.349	20	30		FEEDHM
N#Cc1ccc(F)c(CNC(=S)Nc2ccccc2-c2nnn[n-]2)c1	ZINC000822830123	599229125	/nfs/dbraw/zinc/22/91/25/599229125.db2.gz	VHUICCLMOHOMDN-UHFFFAOYSA-N	-1	3	353.386	2.364	20	30		FEEDHM
N#Cc1ccc(F)c(CNC(=S)Nc2ccccc2-c2nn[n-]n2)c1	ZINC000822830123	599229128	/nfs/dbraw/zinc/22/91/28/599229128.db2.gz	VHUICCLMOHOMDN-UHFFFAOYSA-N	-1	3	353.386	2.364	20	30		FEEDHM
COc1ccc(-c2nnn[n-]2)cc1NC(=O)NCc1cc(C#N)ccc1F	ZINC000821762236	599274691	/nfs/dbraw/zinc/27/46/91/599274691.db2.gz	IQYWGUFOZSCFEH-UHFFFAOYSA-N	-1	3	367.344	2.208	20	30		FEEDHM
COc1ccc(-c2nn[n-]n2)cc1NC(=O)NCc1cc(C#N)ccc1F	ZINC000821762236	599274693	/nfs/dbraw/zinc/27/46/93/599274693.db2.gz	IQYWGUFOZSCFEH-UHFFFAOYSA-N	-1	3	367.344	2.208	20	30		FEEDHM
N#Cc1ccc(CNC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c(F)c1	ZINC000737718189	598316729	/nfs/dbraw/zinc/31/67/29/598316729.db2.gz	LDNJZYRKLYWDDD-UHFFFAOYSA-N	-1	3	369.335	2.016	20	30		FEEDHM
N#Cc1ccc(CNC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c(F)c1	ZINC000737718189	598316731	/nfs/dbraw/zinc/31/67/31/598316731.db2.gz	LDNJZYRKLYWDDD-UHFFFAOYSA-N	-1	3	369.335	2.016	20	30		FEEDHM
N#CCc1ccc(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1	ZINC000737698188	598322636	/nfs/dbraw/zinc/32/26/36/598322636.db2.gz	URNLVUZTYGWHDD-UHFFFAOYSA-N	-1	3	351.345	2.394	20	30		FEEDHM
N#CCc1ccc(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1	ZINC000737698188	598322638	/nfs/dbraw/zinc/32/26/38/598322638.db2.gz	URNLVUZTYGWHDD-UHFFFAOYSA-N	-1	3	351.345	2.394	20	30		FEEDHM
N#Cc1cc(C#N)c(SCc2ccc(F)cc2-c2nnn[n-]2)nc1N	ZINC000737703815	598645087	/nfs/dbraw/zinc/64/50/87/598645087.db2.gz	FUAKPNVXHNPKBX-UHFFFAOYSA-N	-1	3	352.358	2.019	20	30		FEEDHM
N#Cc1cc(C#N)c(SCc2ccc(F)cc2-c2nn[n-]n2)nc1N	ZINC000737703815	598645088	/nfs/dbraw/zinc/64/50/88/598645088.db2.gz	FUAKPNVXHNPKBX-UHFFFAOYSA-N	-1	3	352.358	2.019	20	30		FEEDHM
N#Cc1ccccc1N1CCN(Cc2ccc(F)cc2-c2nnn[n-]2)CC1	ZINC000737728162	598684477	/nfs/dbraw/zinc/68/44/77/598684477.db2.gz	YSAOAEAXVDNECZ-UHFFFAOYSA-N	-1	3	363.400	2.200	20	30		FEEDHM
N#Cc1ccccc1N1CCN(Cc2ccc(F)cc2-c2nn[n-]n2)CC1	ZINC000737728162	598684479	/nfs/dbraw/zinc/68/44/79/598684479.db2.gz	YSAOAEAXVDNECZ-UHFFFAOYSA-N	-1	3	363.400	2.200	20	30		FEEDHM
CC(C)[C@H](C#N)NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1	ZINC000735692894	598691241	/nfs/dbraw/zinc/69/12/41/598691241.db2.gz	VFYLQZCUOYWHLS-HNNXBMFYSA-N	-1	3	363.381	2.332	20	30		FEEDHM
CC(C)[C@H](C#N)NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1	ZINC000735692894	598691242	/nfs/dbraw/zinc/69/12/42/598691242.db2.gz	VFYLQZCUOYWHLS-HNNXBMFYSA-N	-1	3	363.381	2.332	20	30		FEEDHM
C#Cc1ccc(C(=O)Oc2c(Cl)cc(-c3nnn[n-]3)cc2OC)nc1	ZINC000735389693	598734464	/nfs/dbraw/zinc/73/44/64/598734464.db2.gz	GPTAHFBNZZYZQM-UHFFFAOYSA-N	-1	3	355.741	2.124	20	30		FEEDHM
C#Cc1ccc(C(=O)Oc2c(Cl)cc(-c3nn[n-]n3)cc2OC)nc1	ZINC000735389693	598734465	/nfs/dbraw/zinc/73/44/65/598734465.db2.gz	GPTAHFBNZZYZQM-UHFFFAOYSA-N	-1	3	355.741	2.124	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)/C=C\C1CCOCC1	ZINC000735419018	598753122	/nfs/dbraw/zinc/75/31/22/598753122.db2.gz	OSWIVMJSXZSCNC-SREVYHEPSA-N	-1	3	353.426	2.364	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)/C=C\C1CCOCC1	ZINC000735419018	598753123	/nfs/dbraw/zinc/75/31/23/598753123.db2.gz	OSWIVMJSXZSCNC-SREVYHEPSA-N	-1	3	353.426	2.364	20	30		FEEDHM
CN(c1cccc(-c2nnn[n-]2)c1)S(=O)(=O)c1ccc(Cl)cc1C#N	ZINC000821619047	599340539	/nfs/dbraw/zinc/34/05/39/599340539.db2.gz	HAUNYTNMUCOXPR-UHFFFAOYSA-N	-1	3	374.813	2.217	20	30		FEEDHM
CN(c1cccc(-c2nn[n-]n2)c1)S(=O)(=O)c1ccc(Cl)cc1C#N	ZINC000821619047	599340541	/nfs/dbraw/zinc/34/05/41/599340541.db2.gz	HAUNYTNMUCOXPR-UHFFFAOYSA-N	-1	3	374.813	2.217	20	30		FEEDHM
C=CC[C@H](C)[N-]S(=O)(=O)c1c(C)nn2cc(Br)cnc12	ZINC000631982290	676968547	/nfs/dbraw/zinc/96/85/47/676968547.db2.gz	TVZRPHPTOYKEOK-QMMMGPOBSA-N	-1	3	359.249	2.043	20	30		FEEDHM
C[C@@H](C#N)C(=O)Nc1nnc(SCc2ccc(-c3nn[n-]n3)cc2)s1	ZINC000735506032	599491617	/nfs/dbraw/zinc/49/16/17/599491617.db2.gz	YPXDJBQTGDQRIU-QMMMGPOBSA-N	-1	3	372.439	2.109	20	30		FEEDHM
C[C@@H](NC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1)c1cccc(C#N)c1	ZINC000820530258	599527145	/nfs/dbraw/zinc/52/71/45/599527145.db2.gz	YXMDVSZCNOUXBV-OLZOCXBDSA-N	-1	3	362.393	2.383	20	30		FEEDHM
N#CC1(NC(=O)c2ccc(OCc3ccccc3-c3nnn[n-]3)cc2)CC1	ZINC000737678448	599569965	/nfs/dbraw/zinc/56/99/65/599569965.db2.gz	ICCKODSVSSEQRS-UHFFFAOYSA-N	-1	3	360.377	2.232	20	30		FEEDHM
N#CC1(NC(=O)c2ccc(OCc3ccccc3-c3nn[n-]n3)cc2)CC1	ZINC000737678448	599569967	/nfs/dbraw/zinc/56/99/67/599569967.db2.gz	ICCKODSVSSEQRS-UHFFFAOYSA-N	-1	3	360.377	2.232	20	30		FEEDHM
COc1ccc(C#N)cc1COC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F	ZINC000821770788	607420989	/nfs/dbraw/zinc/42/09/89/607420989.db2.gz	WRJSIGZVEJUENL-UHFFFAOYSA-N	-1	3	371.303	2.382	20	30		FEEDHM
COc1ccc(C#N)cc1COC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F	ZINC000821770788	607420992	/nfs/dbraw/zinc/42/09/92/607420992.db2.gz	WRJSIGZVEJUENL-UHFFFAOYSA-N	-1	3	371.303	2.382	20	30		FEEDHM
C#CCSCCNC(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1	ZINC000819709313	607428625	/nfs/dbraw/zinc/42/86/25/607428625.db2.gz	BYPMMOVJJFDJCZ-UHFFFAOYSA-N	-1	3	360.443	2.142	20	30		FEEDHM
C#CCSCCNC(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1	ZINC000819709313	607428626	/nfs/dbraw/zinc/42/86/26/607428626.db2.gz	BYPMMOVJJFDJCZ-UHFFFAOYSA-N	-1	3	360.443	2.142	20	30		FEEDHM
COc1cc(C#N)ccc1OCCN1Cc2ccccc2C[C@@H]1C(=O)[O-]	ZINC000737844661	600710525	/nfs/dbraw/zinc/71/05/25/600710525.db2.gz	PUPBXZBFIHUSIE-QGZVFWFLSA-N	-1	3	352.390	2.457	20	30		FEEDHM
Cc1nsc(N2CCCN([C@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)n1	ZINC000833023940	601035387	/nfs/dbraw/zinc/03/53/87/601035387.db2.gz	MLMTYDIOMFEOSF-HNNXBMFYSA-N	-1	3	357.439	2.056	20	30		FEEDHM
N#Cc1cccc([C@H](C(=O)[O-])N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1	ZINC000833074359	601319046	/nfs/dbraw/zinc/31/90/46/601319046.db2.gz	WJKKUMFXYOMWLI-RHSMWYFYSA-N	-1	3	367.365	2.174	20	30		FEEDHM
Cc1nnc(-c2cccc(C#N)c2)n1CN1CCC([C@@H](C)NC(=O)[O-])CC1	ZINC000740254100	603081816	/nfs/dbraw/zinc/08/18/16/603081816.db2.gz	UUDWESVMHBVUCH-CYBMUJFWSA-N	-1	3	368.441	2.451	20	30		FEEDHM
N#Cc1ccc(Cl)cc1OS(=O)(=O)c1ccccc1-c1nnn[n-]1	ZINC000826385415	607672750	/nfs/dbraw/zinc/67/27/50/607672750.db2.gz	LGNMGIFNOJGPKW-UHFFFAOYSA-N	-1	3	361.770	2.159	20	30		FEEDHM
CCOc1ccccc1NC(=O)C(C#N)C(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1	ZINC000827459592	604221016	/nfs/dbraw/zinc/22/10/16/604221016.db2.gz	IIERHMKLQAEUJM-FRRDWIJNSA-N	-1	3	359.382	2.169	20	30		FEEDHM
N#Cc1cccc(CN2CCC[C@H](CNC(=O)[C@@H]3CCCN3C(=O)[O-])C2)c1	ZINC000833978880	605517579	/nfs/dbraw/zinc/51/75/79/605517579.db2.gz	ZVQCRARSAWWUDD-MSOLQXFVSA-N	-1	3	370.453	2.029	20	30		FEEDHM
C=C(Cl)CNC(=O)Nc1ccc(NC(=O)OCC)c(-c2nnn[n-]2)c1	ZINC000823883577	607765736	/nfs/dbraw/zinc/76/57/36/607765736.db2.gz	UPMPBSMKXDGVDG-UHFFFAOYSA-N	-1	3	365.781	2.309	20	30		FEEDHM
C=C(Cl)CNC(=O)Nc1ccc(NC(=O)OCC)c(-c2nn[n-]n2)c1	ZINC000823883577	607765737	/nfs/dbraw/zinc/76/57/37/607765737.db2.gz	UPMPBSMKXDGVDG-UHFFFAOYSA-N	-1	3	365.781	2.309	20	30		FEEDHM
N#Cc1c(COC(=O)Cc2cccc(-c3nnn[n-]3)c2)cn2ccccc12	ZINC000822818779	606141393	/nfs/dbraw/zinc/14/13/93/606141393.db2.gz	FNIBLDCOJZZLED-UHFFFAOYSA-N	-1	3	358.361	2.277	20	30		FEEDHM
N#Cc1c(COC(=O)Cc2cccc(-c3nn[n-]n3)c2)cn2ccccc12	ZINC000822818779	606141394	/nfs/dbraw/zinc/14/13/94/606141394.db2.gz	FNIBLDCOJZZLED-UHFFFAOYSA-N	-1	3	358.361	2.277	20	30		FEEDHM
C=CCN(Cc1nc([C@H](C)OC)no1)Cc1cccc(-c2nnn[n-]2)c1	ZINC000819745466	606158535	/nfs/dbraw/zinc/15/85/35/606158535.db2.gz	DYWXMZFNLCMOJC-LBPRGKRZSA-N	-1	3	355.402	2.145	20	30		FEEDHM
C=CCN(Cc1nc([C@H](C)OC)no1)Cc1cccc(-c2nn[n-]n2)c1	ZINC000819745466	606158536	/nfs/dbraw/zinc/15/85/36/606158536.db2.gz	DYWXMZFNLCMOJC-LBPRGKRZSA-N	-1	3	355.402	2.145	20	30		FEEDHM
C=CCN(CC(=O)Nc1ccc(O)cc1)Cc1cccc(-c2nn[n-]n2)c1	ZINC000819740199	606158780	/nfs/dbraw/zinc/15/87/80/606158780.db2.gz	UDCAJZQUWHQRTP-UHFFFAOYSA-N	-1	3	364.409	2.199	20	30		FEEDHM
N#CCCN(Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)CC1CC1	ZINC000822810979	606189902	/nfs/dbraw/zinc/18/99/02/606189902.db2.gz	QCCAZSOZTMYLQP-UHFFFAOYSA-N	-1	3	350.386	2.042	20	30		FEEDHM
N#CCCN(Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)CC1CC1	ZINC000822810979	606189904	/nfs/dbraw/zinc/18/99/04/606189904.db2.gz	QCCAZSOZTMYLQP-UHFFFAOYSA-N	-1	3	350.386	2.042	20	30		FEEDHM
COC(=O)[C@H](N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1cccc(C#N)c1	ZINC000821640643	606299208	/nfs/dbraw/zinc/29/92/08/606299208.db2.gz	MAOCNAINNFYYHO-YVEFUNNKSA-N	-1	3	362.393	2.303	20	30		FEEDHM
COC(=O)[C@H](N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1cccc(C#N)c1	ZINC000821640643	606299210	/nfs/dbraw/zinc/29/92/10/606299210.db2.gz	MAOCNAINNFYYHO-YVEFUNNKSA-N	-1	3	362.393	2.303	20	30		FEEDHM
C#CCOc1cccc(N[C@H](C(=O)OC)c2cccc(-c3nnn[n-]3)c2)c1	ZINC000819710191	606303994	/nfs/dbraw/zinc/30/39/94/606303994.db2.gz	YVSYXJSZTGKVDE-KRWDZBQOSA-N	-1	3	363.377	2.205	20	30		FEEDHM
C#CCOc1cccc(N[C@H](C(=O)OC)c2cccc(-c3nn[n-]n3)c2)c1	ZINC000819710191	606303996	/nfs/dbraw/zinc/30/39/96/606303996.db2.gz	YVSYXJSZTGKVDE-KRWDZBQOSA-N	-1	3	363.377	2.205	20	30		FEEDHM
Cc1sc2ncn(N=Cc3ccc(-c4nnn[n-]4)s3)c(=O)c2c1C	ZINC000822564117	606369235	/nfs/dbraw/zinc/36/92/35/606369235.db2.gz	UTWJASDIHGLAGJ-UHFFFAOYSA-N	-1	3	357.424	2.199	20	30		FEEDHM
C#CC(C)(C)NC(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1	ZINC000819688271	606477557	/nfs/dbraw/zinc/47/75/57/606477557.db2.gz	FDKNNZUBHMOBMD-UHFFFAOYSA-N	-1	3	367.438	2.447	20	30		FEEDHM
C#CC(C)(C)NC(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1	ZINC000819688271	606477559	/nfs/dbraw/zinc/47/75/59/606477559.db2.gz	FDKNNZUBHMOBMD-UHFFFAOYSA-N	-1	3	367.438	2.447	20	30		FEEDHM
COCCN(C(=O)c1cc(-c2nnn[n-]2)cs1)c1ccc(C#N)cc1	ZINC000821689033	606517784	/nfs/dbraw/zinc/51/77/84/606517784.db2.gz	IOFLIQHXXBTPMC-UHFFFAOYSA-N	-1	3	354.395	2.093	20	30		FEEDHM
COCCN(C(=O)c1cc(-c2nn[n-]n2)cs1)c1ccc(C#N)cc1	ZINC000821689033	606517786	/nfs/dbraw/zinc/51/77/86/606517786.db2.gz	IOFLIQHXXBTPMC-UHFFFAOYSA-N	-1	3	354.395	2.093	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCCCC(C)(C)CO	ZINC000819743640	606658060	/nfs/dbraw/zinc/65/80/60/606658060.db2.gz	NAWKLNSOPSJXRT-UHFFFAOYSA-N	-1	3	372.473	2.363	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCCCC(C)(C)CO	ZINC000819743640	606658061	/nfs/dbraw/zinc/65/80/61/606658061.db2.gz	NAWKLNSOPSJXRT-UHFFFAOYSA-N	-1	3	372.473	2.363	20	30		FEEDHM
C[C@@H](CC#N)N(C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F	ZINC000820218925	606658138	/nfs/dbraw/zinc/65/81/38/606658138.db2.gz	BGNSGXULFPQNIO-QMMMGPOBSA-N	-1	3	351.317	2.234	20	30		FEEDHM
C[C@@H](CC#N)N(C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F	ZINC000820218925	606658139	/nfs/dbraw/zinc/65/81/39/606658139.db2.gz	BGNSGXULFPQNIO-QMMMGPOBSA-N	-1	3	351.317	2.234	20	30		FEEDHM
N#CCCN(CC(F)(F)F)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F	ZINC000822806466	606683685	/nfs/dbraw/zinc/68/36/85/606683685.db2.gz	NQNGBQIYIQDDCK-UHFFFAOYSA-N	-1	3	360.246	2.063	20	30		FEEDHM
N#CCCN(CC(F)(F)F)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F	ZINC000822806466	606683686	/nfs/dbraw/zinc/68/36/86/606683686.db2.gz	NQNGBQIYIQDDCK-UHFFFAOYSA-N	-1	3	360.246	2.063	20	30		FEEDHM
N#CCCN(Cc1ccccn1)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1	ZINC000822810352	606772538	/nfs/dbraw/zinc/77/25/38/606772538.db2.gz	GPWOTGNOHOCUSW-UHFFFAOYSA-N	-1	3	366.360	2.349	20	30		FEEDHM
N#CCCN(Cc1ccccn1)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1	ZINC000822810352	606772540	/nfs/dbraw/zinc/77/25/40/606772540.db2.gz	GPWOTGNOHOCUSW-UHFFFAOYSA-N	-1	3	366.360	2.349	20	30		FEEDHM
C#CCCCCNC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F	ZINC000819692762	606953896	/nfs/dbraw/zinc/95/38/96/606953896.db2.gz	KAQNBQDYYBVMOT-UHFFFAOYSA-N	-1	3	350.329	2.393	20	30		FEEDHM
C#CCCCCNC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F	ZINC000819692762	606953898	/nfs/dbraw/zinc/95/38/98/606953898.db2.gz	KAQNBQDYYBVMOT-UHFFFAOYSA-N	-1	3	350.329	2.393	20	30		FEEDHM
CON=Cc1ccc(C(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)cc1	ZINC000821697520	606988613	/nfs/dbraw/zinc/98/86/13/606988613.db2.gz	DCDBNTZEVDESJN-UHFFFAOYSA-N	-1	3	355.329	2.343	20	30		FEEDHM
CON=Cc1ccc(C(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)cc1	ZINC000821697520	606988614	/nfs/dbraw/zinc/98/86/14/606988614.db2.gz	DCDBNTZEVDESJN-UHFFFAOYSA-N	-1	3	355.329	2.343	20	30		FEEDHM
C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCc1cc(F)ccc1C#N	ZINC000820536932	607075586	/nfs/dbraw/zinc/07/55/86/607075586.db2.gz	YWVSCPOSIDOLGT-LLVKDONJSA-N	-1	3	367.340	2.388	20	30		FEEDHM
c1[nH]c2ccc(-c3nnn[n-]3)cc2c1CN=Nc1nc(-c2ccncc2)no1	ZINC000819718249	607147912	/nfs/dbraw/zinc/14/79/12/607147912.db2.gz	BVTLQDWFIAPEQZ-UHFFFAOYSA-N	-1	3	372.352	2.239	20	30		FEEDHM
c1[nH]c2ccc(-c3nn[n-]n3)cc2c1CN=Nc1nc(-c2ccncc2)no1	ZINC000819718249	607147914	/nfs/dbraw/zinc/14/79/14/607147914.db2.gz	BVTLQDWFIAPEQZ-UHFFFAOYSA-N	-1	3	372.352	2.239	20	30		FEEDHM
CN(C(=O)COc1ccc(-c2nnn[n-]2)cc1F)C1(C#N)CCCCC1	ZINC000821570721	607170528	/nfs/dbraw/zinc/17/05/28/607170528.db2.gz	ICZKEHSCLADNSG-UHFFFAOYSA-N	-1	3	358.377	2.069	20	30		FEEDHM
CN(C(=O)COc1ccc(-c2nn[n-]n2)cc1F)C1(C#N)CCCCC1	ZINC000821570721	607170529	/nfs/dbraw/zinc/17/05/29/607170529.db2.gz	ICZKEHSCLADNSG-UHFFFAOYSA-N	-1	3	358.377	2.069	20	30		FEEDHM
CCOC(=O)Nc1ccc(NC[C@@H](C#N)CCC#N)cc1-c1nnn[n-]1	ZINC000825552655	607784988	/nfs/dbraw/zinc/78/49/88/607784988.db2.gz	CHPXWVNYWXSJBC-LLVKDONJSA-N	-1	3	354.374	2.291	20	30		FEEDHM
CCOC(=O)Nc1ccc(NC[C@@H](C#N)CCC#N)cc1-c1nn[n-]n1	ZINC000825552655	607784989	/nfs/dbraw/zinc/78/49/89/607784989.db2.gz	CHPXWVNYWXSJBC-LLVKDONJSA-N	-1	3	354.374	2.291	20	30		FEEDHM
Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CN(C)c1ccc(C#N)cc1	ZINC000826335071	607846352	/nfs/dbraw/zinc/84/63/52/607846352.db2.gz	XAUUQMXSCCEWCA-UHFFFAOYSA-N	-1	3	371.408	2.399	20	30		FEEDHM
Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CN(C)c1ccc(C#N)cc1	ZINC000826335071	607846353	/nfs/dbraw/zinc/84/63/53/607846353.db2.gz	XAUUQMXSCCEWCA-UHFFFAOYSA-N	-1	3	371.408	2.399	20	30		FEEDHM
C#CC[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C)c1ccccc1	ZINC000823837514	607938803	/nfs/dbraw/zinc/93/88/03/607938803.db2.gz	DHWQTWIYMYTTOX-INIZCTEOSA-N	-1	3	367.434	2.218	20	30		FEEDHM
C#CC[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C)c1ccccc1	ZINC000823837514	607938804	/nfs/dbraw/zinc/93/88/04/607938804.db2.gz	DHWQTWIYMYTTOX-INIZCTEOSA-N	-1	3	367.434	2.218	20	30		FEEDHM
N#Cc1cnc(N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)c(Cl)c1	ZINC000826387633	608053544	/nfs/dbraw/zinc/05/35/44/608053544.db2.gz	HQJRQHOZMYCZPA-HNNXBMFYSA-N	-1	3	367.800	2.365	20	30		FEEDHM
N#Cc1cnc(N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)c(Cl)c1	ZINC000826387633	608053545	/nfs/dbraw/zinc/05/35/45/608053545.db2.gz	HQJRQHOZMYCZPA-HNNXBMFYSA-N	-1	3	367.800	2.365	20	30		FEEDHM
C=CCCC(=O)COC(=O)[C@H](Oc1ccccc1-c1nnn[n-]1)C(C)C	ZINC000823888389	608056923	/nfs/dbraw/zinc/05/69/23/608056923.db2.gz	LAIQNZJZLBPSHH-MRXNPFEDSA-N	-1	3	358.398	2.349	20	30		FEEDHM
C=CCCC(=O)COC(=O)[C@H](Oc1ccccc1-c1nn[n-]n1)C(C)C	ZINC000823888389	608056924	/nfs/dbraw/zinc/05/69/24/608056924.db2.gz	LAIQNZJZLBPSHH-MRXNPFEDSA-N	-1	3	358.398	2.349	20	30		FEEDHM
N#Cc1ccsc1C(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1	ZINC000826387643	608081345	/nfs/dbraw/zinc/08/13/45/608081345.db2.gz	HVUNKKOQHVOGHQ-AWEZNQCLSA-N	-1	3	366.406	2.014	20	30		FEEDHM
N#Cc1ccsc1C(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1	ZINC000826387643	608081346	/nfs/dbraw/zinc/08/13/46/608081346.db2.gz	HVUNKKOQHVOGHQ-AWEZNQCLSA-N	-1	3	366.406	2.014	20	30		FEEDHM
Cc1nn(-c2ccccc2)c(CN2CCC[C@](C)(C#N)C2)c1-c1nnn[n-]1	ZINC000826332447	608126132	/nfs/dbraw/zinc/12/61/32/608126132.db2.gz	UUXZYNGXJNFHJG-LJQANCHMSA-N	-1	3	362.441	2.487	20	30		FEEDHM
COCCOc1ccc(-c2nnn[n-]2)cc1NCc1cc(C#N)cs1	ZINC000826161827	608136232	/nfs/dbraw/zinc/13/62/32/608136232.db2.gz	BIIORALRTQBWGD-UHFFFAOYSA-N	-1	3	356.411	2.437	20	30		FEEDHM
COCCOc1ccc(-c2nn[n-]n2)cc1NCc1cc(C#N)cs1	ZINC000826161827	608136233	/nfs/dbraw/zinc/13/62/33/608136233.db2.gz	BIIORALRTQBWGD-UHFFFAOYSA-N	-1	3	356.411	2.437	20	30		FEEDHM
CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCC[C@](C)(C#N)C1	ZINC000824207235	608140134	/nfs/dbraw/zinc/14/01/34/608140134.db2.gz	RXQITTUSORPCTE-VQIMIIECSA-N	-1	3	368.441	2.422	20	30		FEEDHM
CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCC[C@](C)(C#N)C1	ZINC000824207235	608140135	/nfs/dbraw/zinc/14/01/35/608140135.db2.gz	RXQITTUSORPCTE-VQIMIIECSA-N	-1	3	368.441	2.422	20	30		FEEDHM
CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)C1(C#N)CCCC1	ZINC000825787692	608173746	/nfs/dbraw/zinc/17/37/46/608173746.db2.gz	IWQNKWAHDJQLMR-UHFFFAOYSA-N	-1	3	350.386	2.259	20	30		FEEDHM
CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)C1(C#N)CCCC1	ZINC000825787692	608173747	/nfs/dbraw/zinc/17/37/47/608173747.db2.gz	IWQNKWAHDJQLMR-UHFFFAOYSA-N	-1	3	350.386	2.259	20	30		FEEDHM
C#CCOc1ccc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)cc1	ZINC000823856311	608538198	/nfs/dbraw/zinc/53/81/98/608538198.db2.gz	OTRZZZNPRSKRIT-UHFFFAOYSA-N	-1	3	353.773	2.373	20	30		FEEDHM
C#CCOc1ccc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)cc1	ZINC000823856311	608538200	/nfs/dbraw/zinc/53/82/00/608538200.db2.gz	OTRZZZNPRSKRIT-UHFFFAOYSA-N	-1	3	353.773	2.373	20	30		FEEDHM
C=CCN(Cc1cc(C(N)=O)cs1)Cc1cccc(-c2nn[n-]n2)c1	ZINC000823914322	608632558	/nfs/dbraw/zinc/63/25/58/608632558.db2.gz	FSVQTCLGESFRMR-UHFFFAOYSA-N	-1	3	354.439	2.215	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1CCO[C@@H](C)C1	ZINC000823910035	608842988	/nfs/dbraw/zinc/84/29/88/608842988.db2.gz	WUHPBHQQKXIFTH-BBRMVZONSA-N	-1	3	356.430	2.132	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1CCO[C@@H](C)C1	ZINC000823910035	608842989	/nfs/dbraw/zinc/84/29/89/608842989.db2.gz	WUHPBHQQKXIFTH-BBRMVZONSA-N	-1	3	356.430	2.132	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1CCO[C@H](C)C1	ZINC000823910058	608843004	/nfs/dbraw/zinc/84/30/04/608843004.db2.gz	WUHPBHQQKXIFTH-CJNGLKHVSA-N	-1	3	356.430	2.132	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1CCO[C@H](C)C1	ZINC000823910058	608843006	/nfs/dbraw/zinc/84/30/06/608843006.db2.gz	WUHPBHQQKXIFTH-CJNGLKHVSA-N	-1	3	356.430	2.132	20	30		FEEDHM
Cc1sc(NC(=O)CN2CCC(C)(C#N)CC2)c(-c2nnn[n-]2)c1C	ZINC000826349483	609143849	/nfs/dbraw/zinc/14/38/49/609143849.db2.gz	JFZWYLRXCKQOBB-UHFFFAOYSA-N	-1	3	359.459	2.109	20	30		FEEDHM
Cc1sc(NC(=O)CN2CCC(C)(C#N)CC2)c(-c2nn[n-]n2)c1C	ZINC000826349483	609143851	/nfs/dbraw/zinc/14/38/51/609143851.db2.gz	JFZWYLRXCKQOBB-UHFFFAOYSA-N	-1	3	359.459	2.109	20	30		FEEDHM
CC(=NNc1ccccc1S(C)(=O)=O)c1ccc(-c2nn[n-]n2)c(F)c1	ZINC000823962163	609159624	/nfs/dbraw/zinc/15/96/24/609159624.db2.gz	GQSQVFWTMKZZLV-UHFFFAOYSA-N	-1	3	374.401	2.245	20	30		FEEDHM
CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H]1CCC[C@@H]1C#N	ZINC000824319089	609261963	/nfs/dbraw/zinc/26/19/63/609261963.db2.gz	FJAMURDUSBJZIZ-CHWSQXEVSA-N	-1	3	355.402	2.468	20	30		FEEDHM
CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H]1CCC[C@@H]1C#N	ZINC000824319089	609261964	/nfs/dbraw/zinc/26/19/64/609261964.db2.gz	FJAMURDUSBJZIZ-CHWSQXEVSA-N	-1	3	355.402	2.468	20	30		FEEDHM
CNC(=O)c1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1	ZINC000826067930	609270127	/nfs/dbraw/zinc/27/01/27/609270127.db2.gz	NHDHJVCWNUNMJQ-WTKPLQERSA-N	-1	3	351.341	2.262	20	30		FEEDHM
CNC(=O)c1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1	ZINC000826067930	609270129	/nfs/dbraw/zinc/27/01/29/609270129.db2.gz	NHDHJVCWNUNMJQ-WTKPLQERSA-N	-1	3	351.341	2.262	20	30		FEEDHM
N#Cc1ccc2ncc(C=CC(=O)c3ccc(-c4nnn[n-]4)cc3F)n2c1	ZINC000826386521	609274861	/nfs/dbraw/zinc/27/48/61/609274861.db2.gz	IHZBWKZZQGVWDM-HYXAFXHYSA-N	-1	3	359.324	2.421	20	30		FEEDHM
N#Cc1ccc2ncc(C=CC(=O)c3ccc(-c4nn[n-]n4)cc3F)n2c1	ZINC000826386521	609274862	/nfs/dbraw/zinc/27/48/62/609274862.db2.gz	IHZBWKZZQGVWDM-HYXAFXHYSA-N	-1	3	359.324	2.421	20	30		FEEDHM
CC(=NNc1ccccc1S(C)(=O)=O)c1ccc(-c2nn[n-]n2)cc1F	ZINC000823962193	609277215	/nfs/dbraw/zinc/27/72/15/609277215.db2.gz	HNJHNJAYZNEAAY-UHFFFAOYSA-N	-1	3	374.401	2.245	20	30		FEEDHM
CCN(CC)c1ccnc(N=NC(C)c2ccc(-c3nnn[n-]3)cc2F)n1	ZINC000825417387	609277593	/nfs/dbraw/zinc/27/75/93/609277593.db2.gz	QLMXXLPLVUNMEU-UHFFFAOYSA-N	-1	3	369.408	2.478	20	30		FEEDHM
CCN(CC)c1ccnc(N=NC(C)c2ccc(-c3nn[n-]n3)cc2F)n1	ZINC000825417387	609277595	/nfs/dbraw/zinc/27/75/95/609277595.db2.gz	QLMXXLPLVUNMEU-UHFFFAOYSA-N	-1	3	369.408	2.478	20	30		FEEDHM
N#Cc1ccc(O[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)cc1	ZINC000826386202	609428622	/nfs/dbraw/zinc/42/86/22/609428622.db2.gz	UBVXLDPPQXNKSV-KRWDZBQOSA-N	-1	3	360.377	2.313	20	30		FEEDHM
N#Cc1ccc(O[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)cc1	ZINC000826386202	609428623	/nfs/dbraw/zinc/42/86/23/609428623.db2.gz	UBVXLDPPQXNKSV-KRWDZBQOSA-N	-1	3	360.377	2.313	20	30		FEEDHM
N#Cc1cc(-c2nnn[n-]2)c(N)nc1SCCc1cccc(F)c1F	ZINC000826383913	609484432	/nfs/dbraw/zinc/48/44/32/609484432.db2.gz	XEKZUHRMRQCZCS-UHFFFAOYSA-N	-1	3	359.365	2.329	20	30		FEEDHM
N#Cc1cc(-c2nn[n-]n2)c(N)nc1SCCc1cccc(F)c1F	ZINC000826383913	609484434	/nfs/dbraw/zinc/48/44/34/609484434.db2.gz	XEKZUHRMRQCZCS-UHFFFAOYSA-N	-1	3	359.365	2.329	20	30		FEEDHM
Cc1ccnc(N2CCCN(c3ccccc3-c3nnn[n-]3)CC2)c1C#N	ZINC000826310635	609535096	/nfs/dbraw/zinc/53/50/96/609535096.db2.gz	CBBXYFHWOVPKBE-UHFFFAOYSA-N	-1	3	360.425	2.159	20	30		FEEDHM
Cc1ccnc(N2CCCN(c3ccccc3-c3nn[n-]n3)CC2)c1C#N	ZINC000826310635	609535098	/nfs/dbraw/zinc/53/50/98/609535098.db2.gz	CBBXYFHWOVPKBE-UHFFFAOYSA-N	-1	3	360.425	2.159	20	30		FEEDHM
C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cc2cc(Cl)sc2[n-]1	ZINC000811394578	674599419	/nfs/dbraw/zinc/59/94/19/674599419.db2.gz	FRXUGBSDEBCLEM-SSDOTTSWSA-N	-1	3	355.803	2.440	20	30		FEEDHM
COC(=O)c1cc(OC)c(S(=O)(=O)[N-]CC(C)(C)CCC#N)s1	ZINC000561561636	674680049	/nfs/dbraw/zinc/68/00/49/674680049.db2.gz	QYZDHRGWWZVJNS-UHFFFAOYSA-N	-1	3	360.457	2.152	20	30		FEEDHM
N#Cc1ccc(CS(=O)(=O)[N-]Cc2nccc(C(F)F)n2)c(F)c1	ZINC000561564370	674680745	/nfs/dbraw/zinc/68/07/45/674680745.db2.gz	OLWRJZWYWCNNQC-UHFFFAOYSA-N	-1	3	356.329	2.045	20	30		FEEDHM
CC#CC[C@H](CO)[N-]S(=O)(=O)c1cc(Br)ccc1Cl	ZINC000645883015	677274176	/nfs/dbraw/zinc/27/41/76/677274176.db2.gz	IJHSHJMNTKDNFD-SNVBAGLBSA-N	-1	3	366.664	2.155	20	30		FEEDHM
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@@H]1CCN([O-])C1=O	ZINC000816695223	675073705	/nfs/dbraw/zinc/07/37/05/675073705.db2.gz	XSRUGFYGPTWYOA-SNVBAGLBSA-N	-1	3	353.737	2.162	20	30		FEEDHM
O=C(CCCOc1ccccc1Br)N[C@H]1CCCN([O-])C1=O	ZINC000816758445	675078009	/nfs/dbraw/zinc/07/80/09/675078009.db2.gz	PTBRMIUQEZYMFQ-LBPRGKRZSA-N	-1	3	371.231	2.105	20	30		FEEDHM
N#CC1CN(C(=O)c2cc(S(=O)(=O)[N-]C3CC3)c(Cl)cc2Cl)C1	ZINC000817559139	675146968	/nfs/dbraw/zinc/14/69/68/675146968.db2.gz	XAFJXPXFITYKRY-UHFFFAOYSA-N	-1	3	374.249	2.030	20	30		FEEDHM
COC(=O)[C@H]([N-]S(=O)(=O)CCC(C)(C)C#N)c1ccc(Cl)cc1	ZINC000576235748	671354155	/nfs/dbraw/zinc/35/41/55/671354155.db2.gz	AJXOZECBTSGWTH-CYBMUJFWSA-N	-1	3	358.847	2.413	20	30		FEEDHM
C/C=C\C[C@H]([N-]S(=O)(=O)Cc1ccc(CC#N)cc1)C(=O)OCC	ZINC000583260639	672078797	/nfs/dbraw/zinc/07/87/97/672078797.db2.gz	VLLZENUVSVALDQ-IMMZDGJCSA-N	-1	3	350.440	2.070	20	30		FEEDHM
CC(=O)Nc1nc(C)c(S(=O)(=O)[N-][C@@H](C#N)C2CCCCC2)s1	ZINC000611114183	676018947	/nfs/dbraw/zinc/01/89/47/676018947.db2.gz	FMEGGBJCWOBKOB-LBPRGKRZSA-N	-1	3	356.473	2.161	20	30		FEEDHM
COCC[C@](C)(C#N)[N-]S(=O)(=O)c1sc(Br)cc1C	ZINC000593279810	672902011	/nfs/dbraw/zinc/90/20/11/672902011.db2.gz	YQMIXTWCZURRHI-LLVKDONJSA-N	-1	3	367.290	2.416	20	30		FEEDHM
COC(=O)c1cc(C#N)ccc1S(=O)(=O)[N-]C1(C(F)F)CCCC1	ZINC000593596644	672954333	/nfs/dbraw/zinc/95/43/33/672954333.db2.gz	RCZNBCZQSLPDPL-UHFFFAOYSA-N	-1	3	358.366	2.201	20	30		FEEDHM
N#Cc1cc(S(=O)(=O)[N-][C@H](C[C@H]2CCCO2)C(F)(F)F)ccc1F	ZINC000594488734	673092009	/nfs/dbraw/zinc/09/20/09/673092009.db2.gz	VICLQAAMSUFHJQ-ZWNOBZJWSA-N	-1	3	366.336	2.476	20	30		FEEDHM
CO[C@H](CS(=O)(=O)[N-]C1(C#N)CCC(C(C)(C)C)CC1)[C@H]1CCOC1	ZINC000594723043	673123366	/nfs/dbraw/zinc/12/33/66/673123366.db2.gz	JTCYESPSQZDIID-UERKLNTKSA-N	-1	3	372.531	2.456	20	30		FEEDHM
CNC(=O)c1ccc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)cn1	ZINC000728763010	673210770	/nfs/dbraw/zinc/21/07/70/673210770.db2.gz	ANQQMKAFMANUSA-ZDUSSCGKSA-N	-1	3	356.769	2.056	20	30		FEEDHM
Cc1cc(C=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)ccc1F	ZINC000729145785	673225220	/nfs/dbraw/zinc/22/52/20/673225220.db2.gz	WZTQJMHAFQRYJB-UHFFFAOYSA-N	-1	3	351.359	2.496	20	30		FEEDHM
COC(=O)c1csc(S(=O)(=O)[N-]Cc2cc(C#N)ccc2F)c1	ZINC000462720439	673278967	/nfs/dbraw/zinc/27/89/67/673278967.db2.gz	HYZOLYPBUDKTCF-UHFFFAOYSA-N	-1	3	354.384	2.024	20	30		FEEDHM
C=CC[C@H](CO)C[N-]S(=O)(=O)c1cc(F)ccc1Br	ZINC000538119572	673422470	/nfs/dbraw/zinc/42/24/70/673422470.db2.gz	CDOKPAJJXBTDSI-VIFPVBQESA-N	-1	3	352.225	2.051	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-][C@H](CCc2ccccc2)C(F)F)cn1	ZINC000599415235	673672791	/nfs/dbraw/zinc/67/27/91/673672791.db2.gz	LTCVOPKNXDRPEQ-OAHLLOKOSA-N	-1	3	351.378	2.498	20	30		FEEDHM
C=CCCOCC[N-]S(=O)(=O)c1cccc(Br)c1F	ZINC000544351045	673707317	/nfs/dbraw/zinc/70/73/17/673707317.db2.gz	NIWNKZQSMGYOHB-UHFFFAOYSA-N	-1	3	352.225	2.459	20	30		FEEDHM
O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)OCCCC1CCCC1	ZINC000744495866	673799047	/nfs/dbraw/zinc/79/90/47/673799047.db2.gz	RWAGZXQYEPILJT-UHFFFAOYSA-N	-1	3	350.440	2.239	20	30		FEEDHM
C=C(C)CN(CC)C(=O)COC(=O)c1ccc(NC(=O)OC)c([O-])c1	ZINC000745652190	673844636	/nfs/dbraw/zinc/84/46/36/673844636.db2.gz	HMQLDBUDTHQNJY-UHFFFAOYSA-N	-1	3	350.371	2.152	20	30		FEEDHM
CCn1ccnc1[C@H]1OCCC[C@@H]1[N-]S(=O)(=O)CC1(C#N)CCCC1	ZINC000548336176	673950916	/nfs/dbraw/zinc/95/09/16/673950916.db2.gz	SHPPIFQRRRPTAK-GJZGRUSLSA-N	-1	3	366.487	2.126	20	30		FEEDHM
O=C(N[C@@H]1CCN([O-])C1=O)C1(c2cc(Cl)cc(Br)c2)CC1	ZINC000820128089	675337933	/nfs/dbraw/zinc/33/79/33/675337933.db2.gz	TXIMPAYXWDKRMB-LLVKDONJSA-N	-1	3	373.634	2.240	20	30		FEEDHM
O=C(N[C@@H]1CCN([O-])C1=O)c1cc(Br)cc(C(F)(F)F)c1	ZINC000820148484	675339497	/nfs/dbraw/zinc/33/94/97/675339497.db2.gz	HCHLTFKEFRNWLP-SECBINFHSA-N	-1	3	367.121	2.188	20	30		FEEDHM
O=C(CCCCOc1ccc(Br)cc1)N[C@@H]1CCN([O-])C1=O	ZINC000820156063	675340156	/nfs/dbraw/zinc/34/01/56/675340156.db2.gz	CISXKXRLDDRBQF-CYBMUJFWSA-N	-1	3	371.231	2.105	20	30		FEEDHM
C=CCCC[C@@H](C)NS(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F	ZINC000823894403	675576135	/nfs/dbraw/zinc/57/61/35/675576135.db2.gz	PHRIGFBXTDAJTI-LLVKDONJSA-N	-1	3	353.423	2.170	20	30		FEEDHM
C=CCCC[C@@H](C)NS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F	ZINC000823894403	675576136	/nfs/dbraw/zinc/57/61/36/675576136.db2.gz	PHRIGFBXTDAJTI-LLVKDONJSA-N	-1	3	353.423	2.170	20	30		FEEDHM
C=CCN(Cc1ccc(Br)cc1[O-])[C@@H]1CCS(=O)(=O)C1	ZINC000824606712	675613025	/nfs/dbraw/zinc/61/30/25/675613025.db2.gz	WGBLXLWPSVNRGB-CYBMUJFWSA-N	-1	3	360.273	2.330	20	30		FEEDHM
C[C@@H](Sc1cccc(Cl)c1-c1nnn[n-]1)C(=O)N(C)CCC#N	ZINC000824753452	675620176	/nfs/dbraw/zinc/62/01/76/675620176.db2.gz	DDXYPQIRRDISTC-SECBINFHSA-N	-1	3	350.835	2.373	20	30		FEEDHM
C[C@@H](Sc1cccc(Cl)c1-c1nn[n-]n1)C(=O)N(C)CCC#N	ZINC000824753452	675620180	/nfs/dbraw/zinc/62/01/80/675620180.db2.gz	DDXYPQIRRDISTC-SECBINFHSA-N	-1	3	350.835	2.373	20	30		FEEDHM
N#Cc1cc(COc2ccc(Br)cc2-c2nnn[n-]2)ccn1	ZINC000826383818	675687675	/nfs/dbraw/zinc/68/76/75/675687675.db2.gz	RPMOEJYIRCEBGQ-UHFFFAOYSA-N	-1	3	357.171	2.475	20	30		FEEDHM
N#Cc1cc(COc2ccc(Br)cc2-c2nn[n-]n2)ccn1	ZINC000826383818	675687677	/nfs/dbraw/zinc/68/76/77/675687677.db2.gz	RPMOEJYIRCEBGQ-UHFFFAOYSA-N	-1	3	357.171	2.475	20	30		FEEDHM
C=CCC[C@@H](CO)[N-]S(=O)(=O)c1sc(Br)cc1C	ZINC000651732465	677447975	/nfs/dbraw/zinc/44/79/75/677447975.db2.gz	VXMCCEWFVFXLPY-VIFPVBQESA-N	-1	3	354.291	2.424	20	30		FEEDHM
C=CCn1cc(C[N-]S(=O)(=O)Cc2cc(Cl)sc2Cl)nn1	ZINC000651746839	677449008	/nfs/dbraw/zinc/44/90/08/677449008.db2.gz	DYMMGLYLCVXIEM-UHFFFAOYSA-N	-1	3	367.283	2.452	20	30		FEEDHM
CCC1N=NC(=S)N1N=Cc1ccc(OC)c([O-])c1Br	ZINC000761015462	680707656	/nfs/dbraw/zinc/70/76/56/680707656.db2.gz	MVNKWVXOVDNEKN-UHFFFAOYSA-N	-1	3	357.233	2.488	20	30		FEEDHM
CS(=O)(=O)[N-]c1ccccc1NC(=O)Cc1cccc(OCC#N)c1	ZINC000761138938	680712325	/nfs/dbraw/zinc/71/23/25/680712325.db2.gz	BWAVKIMYFUIXFV-UHFFFAOYSA-N	-1	3	359.407	2.142	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(-c2nc([C@]3(C)CCCO3)no2)ccc1F	ZINC000763341337	680780429	/nfs/dbraw/zinc/78/04/29/680780429.db2.gz	PLVYECKMVQBFJK-INIZCTEOSA-N	-1	3	367.402	2.366	20	30		FEEDHM
C=CCOCCCNC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1	ZINC000664380335	678871334	/nfs/dbraw/zinc/87/13/34/678871334.db2.gz	PPUPLVQDFCCFGD-UHFFFAOYSA-N	-1	3	371.459	2.171	20	30		FEEDHM
CC(C)C[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N[C@H]1CC1(C)C	ZINC000840507401	680828040	/nfs/dbraw/zinc/82/80/40/680828040.db2.gz	MFXKTQFGSAADPK-HIFRSBDPSA-N	-1	3	363.483	2.055	20	30		FEEDHM
Cc1cc(S(=O)(=O)N(C)C)cc(N=Cc2ccc(O)c([O-])c2O)c1C	ZINC000747713313	679898194	/nfs/dbraw/zinc/89/81/94/679898194.db2.gz	SCCSAVZTBPKEFY-UHFFFAOYSA-N	-1	3	364.423	2.421	20	30		FEEDHM
O=C1[C@H](/N=C/c2cc(Br)ccc2[O-])CCN1C1CCOCC1	ZINC000747863483	679908747	/nfs/dbraw/zinc/90/87/47/679908747.db2.gz	DSGKQUQDGRYSKM-YFEUJDIGSA-N	-1	3	367.243	2.354	20	30		FEEDHM
C=CC(C)(C)C[N-]S(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl	ZINC000832170440	680105293	/nfs/dbraw/zinc/10/52/93/680105293.db2.gz	OCGYKLIKBNGZCX-UHFFFAOYSA-N	-1	3	357.906	2.296	20	30		FEEDHM
N#C[C@@]1(C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)CC12CCCC2	ZINC000832216051	680111824	/nfs/dbraw/zinc/11/18/24/680111824.db2.gz	XWEPEHUFDXKSQE-MLGOLLRUSA-N	-1	3	357.376	2.378	20	30		FEEDHM
CC(C)C[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NCC1(C)CC1	ZINC000752722096	680255863	/nfs/dbraw/zinc/25/58/63/680255863.db2.gz	LDCNHXQWENRGMQ-CQSZACIVSA-N	-1	3	363.483	2.056	20	30		FEEDHM
N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1cn(CC2CC2)nn1	ZINC000835064629	680292579	/nfs/dbraw/zinc/29/25/79/680292579.db2.gz	GKTDDDNHKDEDJF-NSHDSACASA-N	-1	3	361.764	2.442	20	30		FEEDHM
[O-]c1c(O)cc(C=NNC2=N[C@@H]3CCCC[C@H]3N2)cc1Br	ZINC000753936633	680325225	/nfs/dbraw/zinc/32/52/25/680325225.db2.gz	SWBDKBNDWKIDAF-GHMZBOCLSA-N	-1	3	353.220	2.054	20	30		FEEDHM
COc1ccc(OCC2N=NC(=S)N2N=Cc2ccc([O-])cn2)cc1	ZINC000755533946	680419843	/nfs/dbraw/zinc/41/98/43/680419843.db2.gz	XISLHVASQYVEDP-UHFFFAOYSA-N	-1	3	357.395	2.137	20	30		FEEDHM
CC(C)NS(=O)(=O)c1ccc(N=NCc2cccc(F)c2[O-])nc1	ZINC000755645227	680426208	/nfs/dbraw/zinc/42/62/08/680426208.db2.gz	LZSWABBKPPFQKU-UHFFFAOYSA-N	-1	3	352.391	2.059	20	30		FEEDHM
C=C(C)CCNC(=O)[C@H](CC(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000836827311	680519227	/nfs/dbraw/zinc/51/92/27/680519227.db2.gz	SCXFFYYALKMEDQ-HNNXBMFYSA-N	-1	3	363.483	2.222	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H]2C[C@H]2C(C)C)ccc1F	ZINC000836914185	680530921	/nfs/dbraw/zinc/53/09/21/680530921.db2.gz	CIUZDWQWRLLYMD-KBPBESRZSA-N	-1	3	354.447	2.312	20	30		FEEDHM
CC(C)[N-]S(=O)(=O)c1cc(C(=O)NCC(C)(C)CC#N)ccc1F	ZINC000837889735	680658415	/nfs/dbraw/zinc/65/84/15/680658415.db2.gz	KZNOBEJPHUQZDT-UHFFFAOYSA-N	-1	3	355.435	2.182	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H](C)[C@H](C)[C@H]2C)ccc1F	ZINC000841360813	680874608	/nfs/dbraw/zinc/87/46/08/680874608.db2.gz	MENOXLBLVSQWDW-RWMBFGLXSA-N	-1	3	354.447	2.407	20	30		FEEDHM
CC(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(C#N)ccn2)ccc1F	ZINC000766957223	680894439	/nfs/dbraw/zinc/89/44/39/680894439.db2.gz	NRDJJIWGXDIGDX-UHFFFAOYSA-N	-1	3	362.386	2.031	20	30		FEEDHM
C#C[C@@H](OC(=O)CS(=O)(=O)[N-]c1ccc(OC(C)C)cc1)C1CC1	ZINC000767522898	680915073	/nfs/dbraw/zinc/91/50/73/680915073.db2.gz	XTYVUJZIMYRZBE-MRXNPFEDSA-N	-1	3	351.424	2.171	20	30		FEEDHM
C#C[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1F)[C@@H]1CCCO1	ZINC000773053195	681122691	/nfs/dbraw/zinc/12/26/91/681122691.db2.gz	FDQVPOYGMZCQSM-NEPJUHHUSA-N	-1	3	362.220	2.047	20	30		FEEDHM
C#C[C@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)[C@H]1CCCO1	ZINC000773059404	681123477	/nfs/dbraw/zinc/12/34/77/681123477.db2.gz	WJKYWLOGBXTQOP-NWDGAFQWSA-N	-1	3	351.321	2.304	20	30		FEEDHM
C[C@@H](CC1CCCCC1)NC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000773328307	681136671	/nfs/dbraw/zinc/13/66/71/681136671.db2.gz	XVXKACWHHCNPBI-ZDUSSCGKSA-N	-1	3	363.483	2.200	20	30		FEEDHM
O=C(CCc1cccc(F)c1Br)N[C@@H]1CCCN([O-])C1=O	ZINC000848131779	681478175	/nfs/dbraw/zinc/47/81/75/681478175.db2.gz	KORWGRGOFDDSEV-LLVKDONJSA-N	-1	3	359.195	2.017	20	30		FEEDHM
N#CC(C(=O)Nc1ccc2c(c1)OCCO2)=C([O-])c1cccc(Cl)n1	ZINC000780308704	681813488	/nfs/dbraw/zinc/81/34/88/681813488.db2.gz	COWLQSRPMQJILU-LLVKDONJSA-N	-1	3	357.753	2.467	20	30		FEEDHM
CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)O[C@H]1C=CCC1	ZINC000780561888	681842766	/nfs/dbraw/zinc/84/27/66/681842766.db2.gz	IBGUKARURZOSBI-ZFWWWQNUSA-N	-1	3	362.451	2.402	20	30		FEEDHM
CO[C@H](C[N-]S(=O)(=O)Cc1c(C)cc(C#N)cc1C)C(F)(F)F	ZINC000914110943	685494973	/nfs/dbraw/zinc/49/49/73/685494973.db2.gz	TWZBYUOIPLCVSL-CYBMUJFWSA-N	-1	3	350.362	2.172	20	30		FEEDHM
C#CCOCC[N-]S(=O)(=O)c1cc(Br)ccc1Cl	ZINC000784451092	682227422	/nfs/dbraw/zinc/22/74/22/682227422.db2.gz	CFMNGVQYKUKPSP-UHFFFAOYSA-N	-1	3	352.637	2.031	20	30		FEEDHM
C[C@@H](CC(=O)N(C)C1(C)CCCC1)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000787860374	682485282	/nfs/dbraw/zinc/48/52/82/682485282.db2.gz	WRFZEVBPDIQVGV-ZDUSSCGKSA-N	-1	3	363.483	2.295	20	30		FEEDHM
O=C([N-][C@@H]1CCCN(O)C1=O)C(F)(F)c1ccc(Br)cc1	ZINC000854648467	682575108	/nfs/dbraw/zinc/57/51/08/682575108.db2.gz	DZDYQRDWXIVPDP-SNVBAGLBSA-N	-1	3	363.158	2.037	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)C[C@H]2CC2(C)C)ccc1F	ZINC000856460812	682785136	/nfs/dbraw/zinc/78/51/36/682785136.db2.gz	ANVLXUDVJPHEKA-CYBMUJFWSA-N	-1	3	354.447	2.408	20	30		FEEDHM
CC[C@@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2cccc(F)c2C#N)n[nH]1	ZINC000792784937	682840214	/nfs/dbraw/zinc/84/02/14/682840214.db2.gz	SRGMBWHEDROXGY-ZJUUUORDSA-N	-1	3	351.407	2.368	20	30		FEEDHM
CN(C)S(=O)(=O)c1ccccc1NN=Cc1c(F)ccc([O-])c1F	ZINC000793192966	682870896	/nfs/dbraw/zinc/87/08/96/682870896.db2.gz	ZMEYNXHSBSICJK-UHFFFAOYSA-N	-1	3	355.366	2.367	20	30		FEEDHM
Fc1cncnc1N=NCc1c(Br)n[n-]c1Br	ZINC000793210639	682873224	/nfs/dbraw/zinc/87/32/24/682873224.db2.gz	MEXKKVDHDYKYJV-UHFFFAOYSA-N	-1	3	363.976	2.310	20	30		FEEDHM
C=CCOCCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1	ZINC000797284608	683239993	/nfs/dbraw/zinc/23/99/93/683239993.db2.gz	ZGTAPFBSCZBBRX-UHFFFAOYSA-N	-1	3	359.419	2.262	20	30		FEEDHM
C=CCN1c2ccccc2C(=N[N-]S(=O)(=O)Cc2ccccc2)C1=O	ZINC000920383068	683338114	/nfs/dbraw/zinc/33/81/14/683338114.db2.gz	FQPZAVHDTCLXFI-UHFFFAOYSA-N	-1	3	355.419	2.043	20	30		FEEDHM
COC(=O)c1c(F)ccc(S(=O)(=O)[N-]CC2CCC(C#N)CC2)c1F	ZINC000799821671	683499240	/nfs/dbraw/zinc/49/92/40/683499240.db2.gz	LHTFMDQAFNBPQK-UHFFFAOYSA-N	-1	3	372.393	2.360	20	30		FEEDHM
C[C@H](NCc1ccccc1S(=O)(=O)N(C)C)c1cccc(C#N)c1[O-]	ZINC000866227264	684084574	/nfs/dbraw/zinc/08/45/74/684084574.db2.gz	XONJYUMBJJHSFC-ZDUSSCGKSA-N	-1	3	359.451	2.365	20	30		FEEDHM
O=C(N[C@@H]1CCCN([O-])C1=O)c1cc(-c2cccc(Cl)c2F)no1	ZINC000868563055	684511867	/nfs/dbraw/zinc/51/18/67/684511867.db2.gz	OVJWHNGSFXWQPQ-SNVBAGLBSA-N	-1	3	353.737	2.244	20	30		FEEDHM
O=C(Nc1cc(F)cc(Br)c1F)N[C@H]1CCCN([O-])C1=O	ZINC000879403086	686815265	/nfs/dbraw/zinc/81/52/65/686815265.db2.gz	VXVHNQQCDJJWSJ-QMMMGPOBSA-N	-1	3	364.146	2.229	20	30		FEEDHM
COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@H](O)CC1(C#N)CCC1	ZINC000886065056	688198917	/nfs/dbraw/zinc/19/89/17/688198917.db2.gz	OLVLYMIWEQSOSC-OAHLLOKOSA-N	-1	3	366.845	2.465	20	30		FEEDHM
C=CC[S@@](=O)(=NC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C)c1ccccc1	ZINC000891379301	689056773	/nfs/dbraw/zinc/05/67/73/689056773.db2.gz	CQUILFMNDFJSRC-SHACYNPGSA-N	-1	3	372.512	2.190	20	30		FEEDHM
O=C1[C@H](NCc2cn(-c3ccc(Cl)cc3Cl)nn2)CCCN1[O-]	ZINC000895162728	689669741	/nfs/dbraw/zinc/66/97/41/689669741.db2.gz	NHOFFFYHTUXQBK-GFCCVEGCSA-N	-1	3	356.213	2.044	20	30		FEEDHM
COC(=O)C1CC2(C1)C[C@H](/N=C\c1c(CO)cnc(C)c1[O-])CCS2	ZINC000899232598	690323242	/nfs/dbraw/zinc/32/32/42/690323242.db2.gz	QNZHUBNDXLSWJZ-QVRIGEIUSA-N	-1	3	364.467	2.224	20	30		FEEDHM
CS(=O)(=O)N1CCC[C@H](C(=O)N([O-])Cc2cccc3ccccc32)C1	ZINC000901370997	690641243	/nfs/dbraw/zinc/64/12/43/690641243.db2.gz	KDCPWAQWTFIQCQ-INIZCTEOSA-N	-1	3	362.451	2.229	20	30		FEEDHM
CCS(=O)(=O)N1CCC(C(=O)N([O-])CCCCc2ccccc2)CC1	ZINC000904201668	691012290	/nfs/dbraw/zinc/01/22/90/691012290.db2.gz	YCZOYCOCWWHNIB-UHFFFAOYSA-N	-1	3	368.499	2.289	20	30		FEEDHM
C#CCN(C)CCCNC(=O)N[C@H](C(=O)[O-])c1cccc(C(F)(F)F)c1	ZINC000909037352	939372330	/nfs/dbraw/zinc/37/23/30/939372330.db2.gz	HVDCYZYBAPCEDN-AWEZNQCLSA-N	-1	3	371.359	2.085	20	30		FEEDHM
C=CCN(Cc1ccccc1)C(=O)C[N-]S(=O)(=O)c1cccs1	ZINC000025312087	539755404	/nfs/dbraw/zinc/75/54/04/539755404.db2.gz	GUMKLTDMFLBKSP-UHFFFAOYSA-N	-1	3	350.465	2.241	20	30		FEEDHM
COc1ccccc1-c1n[n-]c(NC(=O)[C@H](C)Oc2ccc(C#N)cc2)n1	ZINC000048012199	540339975	/nfs/dbraw/zinc/33/99/75/540339975.db2.gz	WYGSWABQLSJLDT-LBPRGKRZSA-N	-1	3	363.377	2.180	20	30		FEEDHM
COc1ccc(C([O-])=C(C#N)c2nc(C)cs2)cc1N1CCNC1=O	ZINC000076764222	542320870	/nfs/dbraw/zinc/32/08/70/542320870.db2.gz	RBDVFRWYOHQLKA-GFCCVEGCSA-N	-1	3	356.407	2.480	20	30		FEEDHM
CCN(Cc1cc(Br)ccc1[O-])C(=O)Nc1ncnn1C	ZINC000091184921	542796832	/nfs/dbraw/zinc/79/68/32/542796832.db2.gz	ANMKHLCMOACQMB-UHFFFAOYSA-N	-1	3	354.208	2.351	20	30		FEEDHM
C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc2c(c1)C(=O)[N-]C2=O	ZINC000104149495	543124695	/nfs/dbraw/zinc/12/46/95/543124695.db2.gz	IJINSQZHDPWZQH-UHFFFAOYSA-N	-1	3	350.374	2.407	20	30		FEEDHM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]CCc1cc(F)ccc1F	ZINC000124382136	543818334	/nfs/dbraw/zinc/81/83/34/543818334.db2.gz	BPXRISLMXBAJBL-UHFFFAOYSA-N	-1	3	367.333	2.266	20	30		FEEDHM
CCO[C@@H]1C[C@H](N(C)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C1(C)C	ZINC000127863845	544018086	/nfs/dbraw/zinc/01/80/86/544018086.db2.gz	YBXWQXWDHKWVQL-DLBZAZTESA-N	-1	3	359.470	2.458	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]CC2(CCO)CCC2)c(C(F)(F)F)c1	ZINC000127382082	543989717	/nfs/dbraw/zinc/98/97/17/543989717.db2.gz	ULPKYAZHLIXNLK-UHFFFAOYSA-N	-1	3	362.373	2.408	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)[C@H]1COc2ccccc21	ZINC000128691466	544067428	/nfs/dbraw/zinc/06/74/28/544067428.db2.gz	DWPIPWSSMCDILA-KBXCAEBGSA-N	-1	3	365.433	2.477	20	30		FEEDHM
Cc1nnc(NCC[N-]S(=O)(=O)c2ccc(Cl)s2)c(C#N)c1C	ZINC000128751352	544070956	/nfs/dbraw/zinc/07/09/56/544070956.db2.gz	MKHRIKUIMJQZAQ-UHFFFAOYSA-N	-1	3	371.875	2.070	20	30		FEEDHM
CCN(CCC#N)C(=O)c1sccc1S(=O)(=O)[N-]Cc1ccco1	ZINC000133616249	544277216	/nfs/dbraw/zinc/27/72/16/544277216.db2.gz	HJJZHLSCQPBERT-UHFFFAOYSA-N	-1	3	367.452	2.195	20	30		FEEDHM
CN(C)[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1F)c1cccs1	ZINC000151013459	544496777	/nfs/dbraw/zinc/49/67/77/544496777.db2.gz	GEBLQACZABEPGD-ZDUSSCGKSA-N	-1	3	353.444	2.340	20	30		FEEDHM
C=CCN(C)C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl	ZINC000154222174	544878031	/nfs/dbraw/zinc/87/80/31/544878031.db2.gz	SROIHZIFKIAAMA-UHFFFAOYSA-N	-1	3	351.255	2.306	20	30		FEEDHM
COC(=O)C1([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)CCCCC1	ZINC000183455839	327819047	/nfs/dbraw/zinc/81/90/47/327819047.db2.gz	JJYPRFMYBDHKIR-UHFFFAOYSA-N	-1	3	356.831	2.366	20	30		FEEDHM
N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](CO)Cc2ccccc2)c1	ZINC000190489311	328210903	/nfs/dbraw/zinc/21/09/03/328210903.db2.gz	BURPUFGIGLQMBM-CQSZACIVSA-N	-1	3	350.827	2.094	20	30		FEEDHM
CCc1cccc(NC(=O)C[N-]S(=O)(=O)Cc2cccc(C#N)c2)c1	ZINC000078571942	325051724	/nfs/dbraw/zinc/05/17/24/325051724.db2.gz	MWVHQXXNQMUOHO-UHFFFAOYSA-N	-1	3	357.435	2.179	20	30		FEEDHM
N#Cc1cccc(OCCN2CCN(C(=O)c3ccccc3[O-])CC2)c1	ZINC000080930467	325148593	/nfs/dbraw/zinc/14/85/93/325148593.db2.gz	CBAJECQKQNJOSU-UHFFFAOYSA-N	-1	3	351.406	2.101	20	30		FEEDHM
Cc1oc(C(=O)[N-]c2ccc(F)cc2C#N)cc1S(=O)(=O)N(C)C	ZINC000084795955	325244318	/nfs/dbraw/zinc/24/43/18/325244318.db2.gz	KRVUGOPSQMHJII-UHFFFAOYSA-N	-1	3	351.359	2.101	20	30		FEEDHM
Cc1ccc([C@H]2COCCN2C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)o1	ZINC000116703092	326030009	/nfs/dbraw/zinc/03/00/09/326030009.db2.gz	NUFRORGEMVVZMG-QGZVFWFLSA-N	-1	3	369.421	2.298	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)c1nc2ccccc2n1C	ZINC000120174558	326237441	/nfs/dbraw/zinc/23/74/41/326237441.db2.gz	HQFKBJCKGURPAC-UHFFFAOYSA-N	-1	3	363.421	2.346	20	30		FEEDHM
CC[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)c1c(C)nn(C)c1C	ZINC000123220146	326424042	/nfs/dbraw/zinc/42/40/42/326424042.db2.gz	PENPAWKTWWMITK-AWEZNQCLSA-N	-1	3	350.419	2.477	20	30		FEEDHM
COc1cccc(OCCC[N-]S(=O)(=O)c2ccc(C#N)cc2F)c1	ZINC000151215233	326677316	/nfs/dbraw/zinc/67/73/16/326677316.db2.gz	GYJWFMNFWSIUDE-UHFFFAOYSA-N	-1	3	364.398	2.453	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCSc2ncccc21	ZINC000154495752	326761447	/nfs/dbraw/zinc/76/14/47/326761447.db2.gz	YSZRZYDIBQNOGV-UHFFFAOYSA-N	-1	3	354.435	2.330	20	30		FEEDHM
COc1cc(C)cc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)c1	ZINC000157083255	326853990	/nfs/dbraw/zinc/85/39/90/326853990.db2.gz	NASGOSPSQXFDEW-UHFFFAOYSA-N	-1	3	361.379	2.262	20	30		FEEDHM
N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]Cc1nnc2n1CCCCC2	ZINC000172983596	327228204	/nfs/dbraw/zinc/22/82/04/327228204.db2.gz	JZMNPTAMZRJNTJ-UHFFFAOYSA-N	-1	3	365.846	2.008	20	30		FEEDHM
C[N-]S(=O)(=O)c1ccc(CNC(=O)Nc2cc(C#N)ccc2C)s1	ZINC000175743785	327410143	/nfs/dbraw/zinc/41/01/43/327410143.db2.gz	FRNKMYHGDNMHFW-UHFFFAOYSA-N	-1	3	364.452	2.158	20	30		FEEDHM
N#Cc1cc(F)ccc1S(=O)(=O)[N-]Cc1cc(F)cc2c1OCOC2	ZINC000178531829	327590685	/nfs/dbraw/zinc/59/06/85/327590685.db2.gz	LRLFNJCFURBPQP-UHFFFAOYSA-N	-1	3	366.345	2.181	20	30		FEEDHM
Cc1cc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c(C(N)=O)cc1F	ZINC000265601952	329142032	/nfs/dbraw/zinc/14/20/32/329142032.db2.gz	JSFXXIZGMLECFV-UHFFFAOYSA-N	-1	3	370.384	2.393	20	30		FEEDHM
N#Cc1c(Cl)cccc1S(=O)(=O)[N-]Cc1ccc(NC(N)=O)cc1	ZINC000156318550	545617582	/nfs/dbraw/zinc/61/75/82/545617582.db2.gz	JACQEWRLFXFCRZ-UHFFFAOYSA-N	-1	3	364.814	2.181	20	30		FEEDHM
CN(C)c1cccc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)c1	ZINC000156954928	545681582	/nfs/dbraw/zinc/68/15/82/545681582.db2.gz	VQYVESKHVKRJNJ-UHFFFAOYSA-N	-1	3	360.395	2.011	20	30		FEEDHM
N#Cc1ccc(Cn2cnc([N-]C(=O)c3ncn(-c4ccccc4)n3)n2)cc1	ZINC000158815655	545898088	/nfs/dbraw/zinc/89/80/88/545898088.db2.gz	GVMJIMCZLFBOFH-UHFFFAOYSA-N	-1	3	370.376	2.031	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)c1ccc2c(c1)OCO2	ZINC000160176922	546014808	/nfs/dbraw/zinc/01/48/08/546014808.db2.gz	AJDQCJIDPVXQFA-UHFFFAOYSA-N	-1	3	353.378	2.188	20	30		FEEDHM
N#Cc1ccc(CNC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])c(F)c1	ZINC000171487909	546211787	/nfs/dbraw/zinc/21/17/87/546211787.db2.gz	BNHSCXUDGGCLOK-QGZVFWFLSA-N	-1	3	367.380	2.324	20	30		FEEDHM
C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C#N)c2ccccc2Cl)c(C)o1	ZINC000176075154	546401825	/nfs/dbraw/zinc/40/18/25/546401825.db2.gz	DBTDBUQVRKFARF-ZDUSSCGKSA-N	-1	3	367.814	2.144	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCOCc1ccccc1	ZINC000177057053	546535674	/nfs/dbraw/zinc/53/56/74/546535674.db2.gz	RODPOZPOPVSJSZ-UHFFFAOYSA-N	-1	3	353.422	2.129	20	30		FEEDHM
CC(C)(C)CN(CCC#N)C(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1	ZINC000177659013	546661775	/nfs/dbraw/zinc/66/17/75/546661775.db2.gz	AWGALCADDPBSSK-IBGZPJMESA-N	-1	3	356.426	2.143	20	30		FEEDHM
C=CCOC[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)C(=O)OC	ZINC000481584260	561236707	/nfs/dbraw/zinc/23/67/07/561236707.db2.gz	DVFCDMOASAOHGB-SNVBAGLBSA-N	-1	3	368.238	2.016	20	30		FEEDHM
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCc1nnc(C(F)(F)F)[n-]1	ZINC000482236187	561251032	/nfs/dbraw/zinc/25/10/32/561251032.db2.gz	TYFDAZUBHORPMP-CYBMUJFWSA-N	-1	3	367.331	2.415	20	30		FEEDHM
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCc1n[n-]c(C(F)(F)F)n1	ZINC000482236187	561251033	/nfs/dbraw/zinc/25/10/33/561251033.db2.gz	TYFDAZUBHORPMP-CYBMUJFWSA-N	-1	3	367.331	2.415	20	30		FEEDHM
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCc1nc(C(F)(F)F)n[n-]1	ZINC000482236187	561251034	/nfs/dbraw/zinc/25/10/34/561251034.db2.gz	TYFDAZUBHORPMP-CYBMUJFWSA-N	-1	3	367.331	2.415	20	30		FEEDHM
COc1ccc(COCC[N-]S(=O)(=O)c2ccc(F)cc2C#N)cc1	ZINC000180139724	547057424	/nfs/dbraw/zinc/05/74/24/547057424.db2.gz	CDLFLFCDQVLWGE-UHFFFAOYSA-N	-1	3	364.398	2.201	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]CCCN2CCCCCC2=O)c(Cl)c1	ZINC000183448976	547662161	/nfs/dbraw/zinc/66/21/61/547662161.db2.gz	APWBHTKAADLXMU-UHFFFAOYSA-N	-1	3	369.874	2.283	20	30		FEEDHM
N#CC(=C([O-])c1ccc(N2CCCC2)nc1)c1nnc2n1CCCCC2	ZINC000187226767	548253325	/nfs/dbraw/zinc/25/33/25/548253325.db2.gz	KLOYDVHZOVREPO-HNNXBMFYSA-N	-1	3	350.426	2.490	20	30		FEEDHM
C[C@@H](C#N)C[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1	ZINC000187245820	548253724	/nfs/dbraw/zinc/25/37/24/548253724.db2.gz	SWTNNCZCJCWXQT-NWDGAFQWSA-N	-1	3	358.847	2.193	20	30		FEEDHM
CN(C(N)=O)c1cccc([N-]S(=O)(=O)Cc2ccc(C#N)cc2F)c1	ZINC000487390713	561369030	/nfs/dbraw/zinc/36/90/30/561369030.db2.gz	GAHBKPGGVRKQKK-UHFFFAOYSA-N	-1	3	362.386	2.154	20	30		FEEDHM
C=CCCCS(=O)(=O)[N-][C@@H](c1noc(C)n1)c1ccccc1OC	ZINC000489333777	561408326	/nfs/dbraw/zinc/40/83/26/561408326.db2.gz	SECMHAXQNWZJOQ-OAHLLOKOSA-N	-1	3	351.428	2.362	20	30		FEEDHM
CCCn1c(=O)[n-]c(=O)c2c(C(=O)N[C@@H](C#N)C(C)C)cc(C(C)C)nc21	ZINC000264657614	549999540	/nfs/dbraw/zinc/99/95/40/549999540.db2.gz	UQOGHGOLJBSUHZ-AWEZNQCLSA-N	-1	3	371.441	2.308	20	30		FEEDHM
CC(C)(C)[C@H]([N-]S(C)(=O)=O)C(=O)Nc1cccc(OCCCC#N)c1	ZINC000269255619	550172971	/nfs/dbraw/zinc/17/29/71/550172971.db2.gz	DDNWYSDLZAKGLF-OAHLLOKOSA-N	-1	3	367.471	2.272	20	30		FEEDHM
C=CCCO[C@@H](C)c1nc(-c2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)no1	ZINC000274043877	550520866	/nfs/dbraw/zinc/52/08/66/550520866.db2.gz	UPGWIIGZVHWKCE-VOJFVSQTSA-N	-1	3	356.382	2.445	20	30		FEEDHM
CCOc1ccc(N(CCC#N)C(=O)CNC(=O)c2cccc([O-])c2)cc1	ZINC000274427039	550537199	/nfs/dbraw/zinc/53/71/99/550537199.db2.gz	FGLFGEMIPCUGRH-UHFFFAOYSA-N	-1	3	367.405	2.468	20	30		FEEDHM
COc1cc(C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)ccc1[O-]	ZINC000276127310	550577115	/nfs/dbraw/zinc/57/71/15/550577115.db2.gz	ZVZQAKPCGUKQCU-QGZVFWFLSA-N	-1	3	351.406	2.423	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-][C@@H]1CCO[C@@H](c2ccc(F)cc2)C1	ZINC000277210519	550643706	/nfs/dbraw/zinc/64/37/06/550643706.db2.gz	QQIXMRZYRPFLRN-GDBMZVCRSA-N	-1	3	361.398	2.291	20	30		FEEDHM
CCCCCCC[C@@]1(C)NC(=O)N([N-]C(=O)c2ccc(C(N)=O)cc2)C1=O	ZINC000278831831	550826773	/nfs/dbraw/zinc/82/67/73/550826773.db2.gz	QRBXQWYDXZOZBW-LJQANCHMSA-N	-1	3	374.441	2.101	20	30		FEEDHM
C=CCC[C@H](NC(=O)C[C@@H]1NC(=O)[N-]C1=O)c1ccc(C(F)(F)F)cc1	ZINC000496013897	561491777	/nfs/dbraw/zinc/49/17/77/561491777.db2.gz	KYPNIHLFTCEKOZ-STQMWFEESA-N	-1	3	369.343	2.427	20	30		FEEDHM
C=C(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1Cl	ZINC000280756812	551028935	/nfs/dbraw/zinc/02/89/35/551028935.db2.gz	MYPHVIBUBMVCIN-DOMZBBRYSA-N	-1	3	373.858	2.386	20	30		FEEDHM
Cc1nc(C)c(CCC(=O)Nc2ccnn2-c2ccc(C#N)cc2)c(=O)[n-]1	ZINC000497917374	561511185	/nfs/dbraw/zinc/51/11/85/561511185.db2.gz	ORMNVLQDWMQQIQ-UHFFFAOYSA-N	-1	3	362.393	2.428	20	30		FEEDHM
Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cc4c(c([N+](=O)[O-])c3)OCO4)nc1-2	ZINC000498001113	561513546	/nfs/dbraw/zinc/51/35/46/561513546.db2.gz	NWNZSJZTDFNVIZ-SNVBAGLBSA-N	-1	3	365.305	2.393	20	30		FEEDHM
CC(C)(C#N)c1ccc(C(=O)N2CCC[C@@H]2C[C@]2(C)NC(=O)[N-]C2=O)cc1	ZINC000286163421	551856142	/nfs/dbraw/zinc/85/61/42/551856142.db2.gz	JNPSWBGIRZDLDG-QRWLVFNGSA-N	-1	3	368.437	2.081	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)NC[C@H]2CCCSC2)ccc1F	ZINC000286711107	551917309	/nfs/dbraw/zinc/91/73/09/551917309.db2.gz	GVFSLAJNACXDHT-GFCCVEGCSA-N	-1	3	372.487	2.163	20	30		FEEDHM
C[C@H]1C[C@H]([N-]S(=O)(=O)c2cccc(Br)c2C#N)CCO1	ZINC000287944239	552066372	/nfs/dbraw/zinc/06/63/72/552066372.db2.gz	WAVVHVWLIZICFO-VHSXEESVSA-N	-1	3	359.245	2.167	20	30		FEEDHM
N#Cc1cc(F)cc(OS(=O)(=O)c2c[n-]c(C(=O)N3CCCC3)c2)c1	ZINC000288292134	552127298	/nfs/dbraw/zinc/12/72/98/552127298.db2.gz	GBPZVKZMXSSFFQ-UHFFFAOYSA-N	-1	3	363.370	2.029	20	30		FEEDHM
CC(C)OCc1nc([C@H](C)[N-]S(=O)(=O)Cc2cccc(C#N)c2)no1	ZINC000289620033	552351230	/nfs/dbraw/zinc/35/12/30/552351230.db2.gz	SSZWJZOSQBDMEL-LBPRGKRZSA-N	-1	3	364.427	2.047	20	30		FEEDHM
C=C1CCN(C(=O)C[N-]S(=O)(=O)c2ccccc2C(F)(F)F)CC1	ZINC000290135563	552432608	/nfs/dbraw/zinc/43/26/08/552432608.db2.gz	BDSZHEUWRTWXFL-UHFFFAOYSA-N	-1	3	362.373	2.162	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)[C@H](O)c1ccccc1	ZINC000290265944	552451111	/nfs/dbraw/zinc/45/11/11/552451111.db2.gz	ZMGQRDYLDREOLJ-LIRRHRJNSA-N	-1	3	353.422	2.447	20	30		FEEDHM
C=CCn1c(N2CCN(C(=O)c3ccccc3[O-])CC2)nnc1C(C)(C)C	ZINC000290342257	552463765	/nfs/dbraw/zinc/46/37/65/552463765.db2.gz	JUOZIVRRHBEIOH-UHFFFAOYSA-N	-1	3	369.469	2.430	20	30		FEEDHM
C=CC[C@@H](C)NC(=O)C[N-]S(=O)(=O)c1ccccc1C(F)(F)F	ZINC000290451366	552480881	/nfs/dbraw/zinc/48/08/81/552480881.db2.gz	JTCQVPKLDXFRAK-SNVBAGLBSA-N	-1	3	350.362	2.065	20	30		FEEDHM
CC[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)[C@@H](O)C(F)F	ZINC000295489212	553015190	/nfs/dbraw/zinc/01/51/90/553015190.db2.gz	AWSJYZGEGJGGKJ-GXSJLCMTSA-N	-1	3	372.315	2.260	20	30		FEEDHM
COC(=O)c1cc(S(=O)(=O)[N-][C@H]2CC[C@@H](CC#N)C2)c(F)cc1C	ZINC000295785550	553059008	/nfs/dbraw/zinc/05/90/08/553059008.db2.gz	RBGJYGSOMDLLOH-RYUDHWBXSA-N	-1	3	354.403	2.281	20	30		FEEDHM
CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)c2ccc(O)cc2[O-])C1=O	ZINC000298104952	553384717	/nfs/dbraw/zinc/38/47/17/553384717.db2.gz	XAKUIBUTJGTVRG-GOSISDBHSA-N	-1	3	363.414	2.414	20	30		FEEDHM
N#Cc1cc([N+](=O)[O-])ccc1N1CCN(C(=O)c2ccc([O-])cc2)CC1	ZINC000301536355	553659243	/nfs/dbraw/zinc/65/92/43/553659243.db2.gz	AMDPGWREQWOPBP-UHFFFAOYSA-N	-1	3	352.350	2.134	20	30		FEEDHM
N#Cc1ccc([N+](=O)[O-])c(N2CCN(C(=O)c3ccccc3[O-])CC2)c1	ZINC000302193472	553709985	/nfs/dbraw/zinc/70/99/85/553709985.db2.gz	CQIWJQBQMSEODZ-UHFFFAOYSA-N	-1	3	352.350	2.134	20	30		FEEDHM
C[C@H]1CCN(C(=O)NCC[N-]S(=O)(=O)c2cccs2)CC12CCC2	ZINC000329136920	553887591	/nfs/dbraw/zinc/88/75/91/553887591.db2.gz	HGHJTIHGLQLABN-ZDUSSCGKSA-N	-1	3	371.528	2.453	20	30		FEEDHM
C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCN2C(=O)[N-]C(=O)[C@H]2C1	ZINC000329451744	553949888	/nfs/dbraw/zinc/94/98/88/553949888.db2.gz	OYYPDXBXICXPFK-BXKDBHETSA-N	-1	3	373.438	2.161	20	30		FEEDHM
CCc1n[nH]c(=O)c(C[N-]S(=O)(=O)CC2(C#N)CCCCC2)c1CC	ZINC000329650889	553982766	/nfs/dbraw/zinc/98/27/66/553982766.db2.gz	KBLJGFLUAWMLHE-UHFFFAOYSA-N	-1	3	366.487	2.200	20	30		FEEDHM
C[C@H](NC(=O)C[C@@H]1NC(=O)[N-]C1=O)C1CCN(CC(F)(F)F)CC1	ZINC000329921176	554032233	/nfs/dbraw/zinc/03/22/33/554032233.db2.gz	HLRNIFZPWIQHST-WPRPVWTQSA-N	-1	3	350.341	2.249	20	30		FEEDHM
COC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccc(C#N)cc2)c(Cl)c1	ZINC000507458475	561730094	/nfs/dbraw/zinc/73/00/94/561730094.db2.gz	XMGKRZVUYSIJBX-UHFFFAOYSA-N	-1	3	364.810	2.477	20	30		FEEDHM
CN(C)c1nc(C(=O)NC[C@]2(O)CCC[C@H](C(F)(F)F)C2)cc(=O)[n-]1	ZINC000330441981	554122252	/nfs/dbraw/zinc/12/22/52/554122252.db2.gz	VHKXTPJHBNHQSB-XPTSAGLGSA-N	-1	3	362.352	2.036	20	30		FEEDHM
CNc1ccc(C#N)cc1[N-]S(=O)(=O)C[C@H](C(=O)OC)c1ccccc1	ZINC000507981539	561748064	/nfs/dbraw/zinc/74/80/64/561748064.db2.gz	CAFOPAVXQBUQAT-HNNXBMFYSA-N	-1	3	373.434	2.298	20	30		FEEDHM
C[C@H]1CCCCN1CCNC(=O)N=c1[n-]nc(CC(F)(F)F)s1	ZINC000331137706	554219876	/nfs/dbraw/zinc/21/98/76/554219876.db2.gz	DEAIZDXIFGGAIU-VIFPVBQESA-N	-1	3	351.398	2.843	20	30		FEEDHM
N#Cc1ccc(N2CCC[C@H]([N-]S(=O)(=O)[C@@H]3C[C@@H]4CC[C@H]3C4)C2=O)cc1	ZINC000333192134	554587059	/nfs/dbraw/zinc/58/70/59/554587059.db2.gz	SKRXHPYTVLEVMS-MXSMSXNCSA-N	-1	3	373.478	2.162	20	30		FEEDHM
Cc1oc(C#N)cc1-c1nc(-c2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)no1	ZINC000350122003	554761849	/nfs/dbraw/zinc/76/18/49/554761849.db2.gz	PNWMPKVXALMNCC-SFHVURJKSA-N	-1	3	363.333	2.231	20	30		FEEDHM
COc1cccc(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)c1[O-]	ZINC000363019456	555011946	/nfs/dbraw/zinc/01/19/46/555011946.db2.gz	CQISBWQZONMQFU-UHFFFAOYSA-N	-1	3	352.394	2.066	20	30		FEEDHM
C=C(C)C[C@@H](C)C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl	ZINC000511977834	561887620	/nfs/dbraw/zinc/88/76/20/561887620.db2.gz	QKVLRNCKCSGJPG-LLVKDONJSA-N	-1	3	362.854	2.476	20	30		FEEDHM
N#Cc1cc2c(nc1N1CC(S(=O)(=O)[N-]c3ccccc3)C1)CCC2	ZINC000364027473	555235949	/nfs/dbraw/zinc/23/59/49/555235949.db2.gz	SNTIFAFCHVXKAY-UHFFFAOYSA-N	-1	3	354.435	2.072	20	30		FEEDHM
N#Cc1ccc(NC(=O)N2CC(S(=O)(=O)[N-]c3ccccc3)C2)cc1	ZINC000364363515	555299397	/nfs/dbraw/zinc/29/93/97/555299397.db2.gz	SVCTYYCSKNYNHN-UHFFFAOYSA-N	-1	3	356.407	2.216	20	30		FEEDHM
CCc1ccc(C(=O)N2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)c([O-])c1	ZINC000364383220	555303524	/nfs/dbraw/zinc/30/35/24/555303524.db2.gz	ICFNBGYNAOUSLD-LHSJRXKWSA-N	-1	3	361.401	2.440	20	30		FEEDHM
CC1(C#N)CCN(C(=O)NC2CCN(C(=O)c3cccc([O-])c3)CC2)CC1	ZINC000365021758	555467069	/nfs/dbraw/zinc/46/70/69/555467069.db2.gz	VDDDWHCAVMNJPI-UHFFFAOYSA-N	-1	3	370.453	2.332	20	30		FEEDHM
N#CC(CCN1CCN2C(=O)[N-]C(=O)[C@H]2C1)(c1ccccc1)c1ccccc1	ZINC000516534728	562046487	/nfs/dbraw/zinc/04/64/87/562046487.db2.gz	UYIGDRPKQPOGLQ-LJQANCHMSA-N	-1	3	374.444	2.122	20	30		FEEDHM
Cc1c(Br)cc(C#N)c(=O)n1Cc1cc(=O)[n-]c(C2CC2)n1	ZINC000516957154	562067328	/nfs/dbraw/zinc/06/73/28/562067328.db2.gz	LHGCVRXHEAANRR-UHFFFAOYSA-N	-1	3	361.199	2.212	20	30		FEEDHM
CC(C)n1ncc2c1C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)CC2	ZINC000372774847	557559887	/nfs/dbraw/zinc/55/98/87/557559887.db2.gz	FRKWVQVVWSXSSD-HNNXBMFYSA-N	-1	3	362.430	2.311	20	30		FEEDHM
Cn1ccc([C@@H]([N-]S(=O)(=O)c2ccccc2C#N)c2ccc(F)cc2)n1	ZINC000374516156	557893781	/nfs/dbraw/zinc/89/37/81/557893781.db2.gz	ZGUWDGLJVVNZSN-SFHVURJKSA-N	-1	3	370.409	2.499	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC([C@H]2CCOC2)CC1	ZINC000374945032	557954962	/nfs/dbraw/zinc/95/49/62/557954962.db2.gz	JEXCTOSUTGIYFN-INIZCTEOSA-N	-1	3	357.454	2.483	20	30		FEEDHM
N#Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccnc(-n3ccnc3)c2)c1	ZINC000375376065	558017514	/nfs/dbraw/zinc/01/75/14/558017514.db2.gz	AYJKMNWVCFSWEN-UHFFFAOYSA-N	-1	3	373.825	2.271	20	30		FEEDHM
CC[C@@H]1CN(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C[C@@]2(CCOC2)O1	ZINC000377273263	558303453	/nfs/dbraw/zinc/30/34/53/558303453.db2.gz	LWIINJOOJNJXJR-FOIQADDNSA-N	-1	3	373.453	2.005	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1ccc2c(c1)CCO2	ZINC000523021344	562207524	/nfs/dbraw/zinc/20/75/24/562207524.db2.gz	RTRVRMNXQHAFHT-UHFFFAOYSA-N	-1	3	351.406	2.460	20	30		FEEDHM
N#Cc1cccnc1OC1CCC(NC(=O)c2ccc(O)cc2[O-])CC1	ZINC000526121715	562267591	/nfs/dbraw/zinc/26/75/91/562267591.db2.gz	PFBRNQQCSWGQRF-UHFFFAOYSA-N	-1	3	353.378	2.484	20	30		FEEDHM
C=CCCOCC[N-]S(=O)(=O)c1cc(Br)ccc1C#N	ZINC000416441302	559312982	/nfs/dbraw/zinc/31/29/82/559312982.db2.gz	QMKVNALPZNSJTR-UHFFFAOYSA-N	-1	3	359.245	2.192	20	30		FEEDHM
CC(C)(C)c1nc(C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)n[nH]1	ZINC000416541887	559320639	/nfs/dbraw/zinc/32/06/39/559320639.db2.gz	KLGBKNNQSKNKEJ-UHFFFAOYSA-N	-1	3	353.835	2.106	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]c2ccncc2Br)cc1F	ZINC000427771939	559762040	/nfs/dbraw/zinc/76/20/40/559762040.db2.gz	BNRYFRGMJZQAIE-UHFFFAOYSA-N	-1	3	356.176	2.078	20	30		FEEDHM
C=C(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-]	ZINC000435587764	559925607	/nfs/dbraw/zinc/92/56/07/559925607.db2.gz	JALSFOAIIMLLRV-HIFRSBDPSA-N	-1	3	354.428	2.471	20	30		FEEDHM
COc1ccc(C(=O)N[C@@H](C#N)c2cc(OC)c(OC)c(OC)c2)c([O-])c1	ZINC000436612352	559946531	/nfs/dbraw/zinc/94/65/31/559946531.db2.gz	XLMOPDVNRWPSAL-AWEZNQCLSA-N	-1	3	372.377	2.421	20	30		FEEDHM
N#Cc1ccc2c(c1)N(C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])CC2	ZINC000436715993	559949895	/nfs/dbraw/zinc/94/98/95/559949895.db2.gz	RHGNTPBKMJDZPH-KRWDZBQOSA-N	-1	3	361.401	2.458	20	30		FEEDHM
COc1cccc(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1[O-]	ZINC000436918440	559956547	/nfs/dbraw/zinc/95/65/47/559956547.db2.gz	IMRNXQTUVRQNIA-INIZCTEOSA-N	-1	3	365.389	2.198	20	30		FEEDHM
COc1ccc2c(c1)[n-]cc(C(=O)NCc1cc(C#N)ccc1F)c2=O	ZINC000440330775	560008834	/nfs/dbraw/zinc/00/88/34/560008834.db2.gz	XVLNXALYYULWGJ-UHFFFAOYSA-N	-1	3	351.337	2.477	20	30		FEEDHM
N#Cc1cc(F)ccc1NCC[N-]S(=O)(=O)c1ccc(F)cc1F	ZINC000440657769	560015598	/nfs/dbraw/zinc/01/55/98/560015598.db2.gz	XULSGCSERJJWHJ-UHFFFAOYSA-N	-1	3	355.341	2.366	20	30		FEEDHM
C[C@H](NCC[N-]S(=O)(=O)c1ccc(F)cc1F)c1cccc(C#N)c1	ZINC000442096843	560043875	/nfs/dbraw/zinc/04/38/75/560043875.db2.gz	IVMIBXCXXLRSIC-LBPRGKRZSA-N	-1	3	365.405	2.466	20	30		FEEDHM
COc1cc(C(=O)N[C@@H](C#N)c2cc(OC)c(OC)c(OC)c2)ccc1[O-]	ZINC000442953291	560063690	/nfs/dbraw/zinc/06/36/90/560063690.db2.gz	XGIVWQHAYLNHDQ-ZDUSSCGKSA-N	-1	3	372.377	2.421	20	30		FEEDHM
N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CC(=O)Nc1ccc(F)cc1	ZINC000443033533	560066845	/nfs/dbraw/zinc/06/68/45/560066845.db2.gz	FRVLWASSDDFLPU-UHFFFAOYSA-N	-1	3	367.789	2.268	20	30		FEEDHM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]Cc1ccc2ccccc2n1	ZINC000443128854	560071856	/nfs/dbraw/zinc/07/18/56/560071856.db2.gz	GBUSDMZSBSRAQW-UHFFFAOYSA-N	-1	3	368.374	2.493	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]Cc2ccncc2OCC(F)F)s1	ZINC000443227027	560075360	/nfs/dbraw/zinc/07/53/60/560075360.db2.gz	OPHNVJZVVIQRRT-UHFFFAOYSA-N	-1	3	359.379	2.137	20	30		FEEDHM
CC(C)(CC#N)CS(=O)(=O)[N-][C@H](Cc1ccccc1)[C@@H](O)C(F)F	ZINC000451224609	560294123	/nfs/dbraw/zinc/29/41/23/560294123.db2.gz	DNRXWMMBZUZDPS-ZIAGYGMSSA-N	-1	3	360.426	2.083	20	30		FEEDHM
CC(C)C[C@H]([N-]S(=O)(=O)CC1(CC#N)CC1)C(=O)Nc1nccs1	ZINC000451368782	560303056	/nfs/dbraw/zinc/30/30/56/560303056.db2.gz	MDZNEDSFLSNQQU-LBPRGKRZSA-N	-1	3	370.500	2.110	20	30		FEEDHM
CC[C@@H]([N-]S(=O)(=O)c1ccc(CC#N)cc1Cl)[C@H](O)C(F)F	ZINC000451714952	560324102	/nfs/dbraw/zinc/32/41/02/560324102.db2.gz	WMWIZBSXHAPKMH-PWSUYJOCSA-N	-1	3	352.790	2.089	20	30		FEEDHM
COC(=O)[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl	ZINC000451834933	560331542	/nfs/dbraw/zinc/33/15/42/560331542.db2.gz	DEBLPILCHYFOOD-YPMHNXCESA-N	-1	3	356.831	2.222	20	30		FEEDHM
C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)OC	ZINC000451906095	560336361	/nfs/dbraw/zinc/33/63/61/560336361.db2.gz	DXOKABNLDMBBLH-OLZOCXBDSA-N	-1	3	359.831	2.139	20	30		FEEDHM
N#CCc1cccc(NC(=O)N2CCN(C(=O)c3cccc([O-])c3)CC2)c1	ZINC000455914171	560500024	/nfs/dbraw/zinc/50/00/24/560500024.db2.gz	FTHJWBWKZIDINN-UHFFFAOYSA-N	-1	3	364.405	2.448	20	30		FEEDHM
C=C(CC)CNC(=O)[C@H](CCSC)[N-]S(=O)(=O)c1ccccc1F	ZINC000456831370	560534041	/nfs/dbraw/zinc/53/40/41/560534041.db2.gz	UIYGJPOXPZLGBC-AWEZNQCLSA-N	-1	3	374.503	2.308	20	30		FEEDHM
C=CCN(Cc1cc(=O)[n-]c(-c2ccccc2)n1)[C@@H]1CCS(=O)(=O)C1	ZINC000459372296	560682653	/nfs/dbraw/zinc/68/26/53/560682653.db2.gz	QILYQJQUWZGBDZ-MRXNPFEDSA-N	-1	3	359.451	2.024	20	30		FEEDHM
CC(C)[C@H](C#N)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br	ZINC000463466993	560816162	/nfs/dbraw/zinc/81/61/62/560816162.db2.gz	RQATXRASZVYHDU-JTQLQIEISA-N	-1	3	362.205	2.184	20	30		FEEDHM
N#CC(=C([O-])c1ccccc1OCC(N)=O)c1cc(C(F)(F)F)ccn1	ZINC000464466857	560842504	/nfs/dbraw/zinc/84/25/04/560842504.db2.gz	JJVUKWKYJIBBPN-LBPRGKRZSA-N	-1	3	363.295	2.455	20	30		FEEDHM
CN(CC(=O)NCc1ccc(C#N)cc1)Cc1nc2ccsc2c(=O)[n-]1	ZINC000467287379	560907766	/nfs/dbraw/zinc/90/77/66/560907766.db2.gz	BJOFBRDHTNPMHJ-UHFFFAOYSA-N	-1	3	367.434	2.017	20	30		FEEDHM
C=CCn1c(=O)[n-]nc1SCC(=O)NCc1ccc(OC(F)F)cc1	ZINC000470829809	560991005	/nfs/dbraw/zinc/99/10/05/560991005.db2.gz	FRRVVYVZOGYRHR-UHFFFAOYSA-N	-1	3	370.381	2.180	20	30		FEEDHM
N#Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2cn3ccsc3n2)c1	ZINC000476492841	561120874	/nfs/dbraw/zinc/12/08/74/561120874.db2.gz	OXMDTNZGDIYKHZ-UHFFFAOYSA-N	-1	3	352.828	2.399	20	30		FEEDHM
CC#CCC[N-]S(=O)(=O)c1ccc(CCNC(=O)CC(C)C)s1	ZINC000476520542	561121586	/nfs/dbraw/zinc/12/15/86/561121586.db2.gz	FPJYPIJWDUWXMF-UHFFFAOYSA-N	-1	3	356.513	2.145	20	30		FEEDHM
COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-][C@@H](C#N)C(C)C	ZINC000530156375	562400752	/nfs/dbraw/zinc/40/07/52/562400752.db2.gz	ZXDNSBGJLJUJCR-VIFPVBQESA-N	-1	3	352.334	2.420	20	30		FEEDHM
CCC[C@@H](C#N)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)OC	ZINC000533549573	562512617	/nfs/dbraw/zinc/51/26/17/562512617.db2.gz	QHDYPTQARPZIAH-JTQLQIEISA-N	-1	3	364.345	2.463	20	30		FEEDHM
C=CCCCCCN(C)C(=O)COc1ccc(-c2nnn[n-]2)cc1OC	ZINC000735408584	598838375	/nfs/dbraw/zinc/83/83/75/598838375.db2.gz	PDZWKLFAIJJCRR-UHFFFAOYSA-N	-1	3	359.430	2.459	20	30		FEEDHM
C=CCCCCCN(C)C(=O)COc1ccc(-c2nn[n-]n2)cc1OC	ZINC000735408584	598838377	/nfs/dbraw/zinc/83/83/77/598838377.db2.gz	PDZWKLFAIJJCRR-UHFFFAOYSA-N	-1	3	359.430	2.459	20	30		FEEDHM
C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](C#N)c1ccc(F)cc1	ZINC000736169186	598850094	/nfs/dbraw/zinc/85/00/94/598850094.db2.gz	KKEABHDEMSUQDJ-ZBEGNZNMSA-N	-1	3	366.356	2.154	20	30		FEEDHM
C#CC[C@@H](OC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1)c1ccccn1	ZINC000735375703	598856994	/nfs/dbraw/zinc/85/69/94/598856994.db2.gz	PDQPMLUZNNHVMC-SUMWQHHRSA-N	-1	3	363.377	2.337	20	30		FEEDHM
COc1ccc(SCC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1	ZINC000737114008	598920597	/nfs/dbraw/zinc/92/05/97/598920597.db2.gz	AZURULTZYWQXKY-UHFFFAOYSA-N	-1	3	366.406	2.478	20	30		FEEDHM
COc1ccc(SCC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1	ZINC000737114008	598920599	/nfs/dbraw/zinc/92/05/99/598920599.db2.gz	AZURULTZYWQXKY-UHFFFAOYSA-N	-1	3	366.406	2.478	20	30		FEEDHM
C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1	ZINC000736175685	598920714	/nfs/dbraw/zinc/92/07/14/598920714.db2.gz	QNYGKDQTCHWBFW-SNVBAGLBSA-N	-1	3	352.329	2.283	20	30		FEEDHM
C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1	ZINC000736175685	598920716	/nfs/dbraw/zinc/92/07/16/598920716.db2.gz	QNYGKDQTCHWBFW-SNVBAGLBSA-N	-1	3	352.329	2.283	20	30		FEEDHM
CCN(CC#N)C(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1	ZINC000736511677	598927838	/nfs/dbraw/zinc/92/78/38/598927838.db2.gz	ISCJNOFGSYFEHI-UHFFFAOYSA-N	-1	3	362.393	2.431	20	30		FEEDHM
CCN(CC#N)C(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1	ZINC000736511677	598927839	/nfs/dbraw/zinc/92/78/39/598927839.db2.gz	ISCJNOFGSYFEHI-UHFFFAOYSA-N	-1	3	362.393	2.431	20	30		FEEDHM
COc1cc(C#N)ccc1OCCSc1ccc(-c2nnn[n-]2)cn1	ZINC000737035874	598939006	/nfs/dbraw/zinc/93/90/06/598939006.db2.gz	XIORRKCWOZHTMU-UHFFFAOYSA-N	-1	3	354.395	2.313	20	30		FEEDHM
COc1cc(C#N)ccc1OCCSc1ccc(-c2nn[n-]n2)cn1	ZINC000737035874	598939007	/nfs/dbraw/zinc/93/90/07/598939007.db2.gz	XIORRKCWOZHTMU-UHFFFAOYSA-N	-1	3	354.395	2.313	20	30		FEEDHM
CNC(=O)c1ccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)cc1	ZINC000821635160	599113649	/nfs/dbraw/zinc/11/36/49/599113649.db2.gz	ORNPTXRCECWWCN-XNTDXEJSSA-N	-1	3	359.389	2.439	20	30		FEEDHM
CNC(=O)c1ccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)cc1	ZINC000821635160	599113653	/nfs/dbraw/zinc/11/36/53/599113653.db2.gz	ORNPTXRCECWWCN-XNTDXEJSSA-N	-1	3	359.389	2.439	20	30		FEEDHM
Cn1cc(Br)cc1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1	ZINC000737601360	599196161	/nfs/dbraw/zinc/19/61/61/599196161.db2.gz	CSCRDMSJHQZVTA-UHFFFAOYSA-N	-1	3	372.186	2.092	20	30		FEEDHM
Cn1cc(Br)cc1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1	ZINC000737601360	599196163	/nfs/dbraw/zinc/19/61/63/599196163.db2.gz	CSCRDMSJHQZVTA-UHFFFAOYSA-N	-1	3	372.186	2.092	20	30		FEEDHM
C[C@H](C#N)COC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1	ZINC000819857006	607323112	/nfs/dbraw/zinc/32/31/12/607323112.db2.gz	NYFLZVFAGPHNSO-LLVKDONJSA-N	-1	3	353.338	2.355	20	30		FEEDHM
C[C@H](C#N)COC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1	ZINC000819857006	607323113	/nfs/dbraw/zinc/32/31/13/607323113.db2.gz	NYFLZVFAGPHNSO-LLVKDONJSA-N	-1	3	353.338	2.355	20	30		FEEDHM
C=CCCC(=O)N1CCC(C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1	ZINC000735409316	598327845	/nfs/dbraw/zinc/32/78/45/598327845.db2.gz	ZAPRGNZHFYGELQ-UHFFFAOYSA-N	-1	3	354.414	2.010	20	30		FEEDHM
C=CCCC(=O)N1CCC(C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1	ZINC000735409316	598327846	/nfs/dbraw/zinc/32/78/46/598327846.db2.gz	ZAPRGNZHFYGELQ-UHFFFAOYSA-N	-1	3	354.414	2.010	20	30		FEEDHM
CC[C@@H](C#N)NC(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1	ZINC000736309870	598331570	/nfs/dbraw/zinc/33/15/70/598331570.db2.gz	TWFVSRUWFXYWGE-HNNXBMFYSA-N	-1	3	362.393	2.478	20	30		FEEDHM
CC[C@@H](C#N)NC(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1	ZINC000736309870	598331571	/nfs/dbraw/zinc/33/15/71/598331571.db2.gz	TWFVSRUWFXYWGE-HNNXBMFYSA-N	-1	3	362.393	2.478	20	30		FEEDHM
N#Cc1ccc(N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3F)C2)nc1	ZINC000737719911	598594172	/nfs/dbraw/zinc/59/41/72/598594172.db2.gz	WZKJMSOMUJTOIK-AWEZNQCLSA-N	-1	3	364.388	2.353	20	30		FEEDHM
N#Cc1ccccc1COC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1	ZINC000737727928	598620695	/nfs/dbraw/zinc/62/06/95/598620695.db2.gz	UQYNFHFBNFALFV-SFHVURJKSA-N	-1	3	374.404	2.451	20	30		FEEDHM
CCN(CCC#N)C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1	ZINC000736534267	598701523	/nfs/dbraw/zinc/70/15/23/598701523.db2.gz	JZHQBNWFBHKBNS-UHFFFAOYSA-N	-1	3	366.381	2.414	20	30		FEEDHM
C=C(C)CNC(=S)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1	ZINC000735398643	598732731	/nfs/dbraw/zinc/73/27/31/598732731.db2.gz	MWHWAZDXZTZFSZ-UHFFFAOYSA-N	-1	3	358.471	2.161	20	30		FEEDHM
C=CCc1ccc(OCC(=O)Nc2ccc(-c3nnn[n-]3)cn2)c(OC)c1	ZINC000735443421	598805737	/nfs/dbraw/zinc/80/57/37/598805737.db2.gz	UWSDWKMKCZYZIK-UHFFFAOYSA-N	-1	3	366.381	2.016	20	30		FEEDHM
C=CCc1ccc(OCC(=O)Nc2ccc(-c3nn[n-]n3)cn2)c(OC)c1	ZINC000735443421	598805738	/nfs/dbraw/zinc/80/57/38/598805738.db2.gz	UWSDWKMKCZYZIK-UHFFFAOYSA-N	-1	3	366.381	2.016	20	30		FEEDHM
N#Cc1ccc(C(=O)Nc2ccnn2-c2ccc(-c3nn[n-]n3)cc2)cc1	ZINC000737711154	598807989	/nfs/dbraw/zinc/80/79/89/598807989.db2.gz	FLPCYJORWALZFM-UHFFFAOYSA-N	-1	3	356.349	2.176	20	30		FEEDHM
C=CC1CCN(S(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)CC1	ZINC000819730358	599341171	/nfs/dbraw/zinc/34/11/71/599341171.db2.gz	XJRVAHWWKKOUFN-UHFFFAOYSA-N	-1	3	353.835	2.107	20	30		FEEDHM
C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](C)c1cccc(C#N)c1	ZINC000820530260	599527270	/nfs/dbraw/zinc/52/72/70/599527270.db2.gz	YXMDVSZCNOUXBV-STQMWFEESA-N	-1	3	362.393	2.383	20	30		FEEDHM
N#CCN(C(=O)CSCc1ccc(-c2nnn[n-]2)cc1)C1CCCC1	ZINC000737693698	599551804	/nfs/dbraw/zinc/55/18/04/599551804.db2.gz	IPMUVNHIQSKEEO-UHFFFAOYSA-N	-1	3	356.455	2.395	20	30		FEEDHM
N#CCN(C(=O)CSCc1ccc(-c2nn[n-]n2)cc1)C1CCCC1	ZINC000737693698	599551805	/nfs/dbraw/zinc/55/18/05/599551805.db2.gz	IPMUVNHIQSKEEO-UHFFFAOYSA-N	-1	3	356.455	2.395	20	30		FEEDHM
C#CCOc1ccc(C(=O)OCCOc2cccc(-c3nnn[n-]3)c2)cc1	ZINC000819709768	599664477	/nfs/dbraw/zinc/66/44/77/599664477.db2.gz	OJBUHRXRXMBHCQ-UHFFFAOYSA-N	-1	3	364.361	2.115	20	30		FEEDHM
C#CCOc1ccc(C(=O)OCCOc2cccc(-c3nn[n-]n3)c2)cc1	ZINC000819709768	599664478	/nfs/dbraw/zinc/66/44/78/599664478.db2.gz	OJBUHRXRXMBHCQ-UHFFFAOYSA-N	-1	3	364.361	2.115	20	30		FEEDHM
COc1ccc(NC(=O)C(C#N)C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)cc1OC	ZINC000832389072	601236470	/nfs/dbraw/zinc/23/64/70/601236470.db2.gz	PNSACHPGKKQFQM-YRGRVCCFSA-N	-1	3	374.393	2.242	20	30		FEEDHM
COC(=O)c1cc(CN[C@H](C(=O)[O-])c2cccc(C#N)c2)ccc1OC	ZINC000831249163	601299521	/nfs/dbraw/zinc/29/95/21/601299521.db2.gz	VWDKIYYHJNTHJP-KRWDZBQOSA-N	-1	3	354.362	2.269	20	30		FEEDHM
CN(c1cccnn1)C1CCN([C@H](C(=O)[O-])c2cccc(C#N)c2)CC1	ZINC000830895294	601315924	/nfs/dbraw/zinc/31/59/24/601315924.db2.gz	VZESNZLQUUDSGI-SFHVURJKSA-N	-1	3	351.410	2.075	20	30		FEEDHM
C=CC[C@H](C)NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1	ZINC000823888158	607617889	/nfs/dbraw/zinc/61/78/89/607617889.db2.gz	GOPCPZPRIQINNS-QMMMGPOBSA-N	-1	3	361.349	2.128	20	30		FEEDHM
N#CC(C(=O)C[C@H](Cc1ccccc1)NC(=O)[O-])C(=O)NC1CCCCC1	ZINC000831066130	604222906	/nfs/dbraw/zinc/22/29/06/604222906.db2.gz	VDPPSXKSQOGFNZ-DLBZAZTESA-N	-1	3	371.437	2.413	20	30		FEEDHM
N#Cc1cccc(-c2csc(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)n2)c1	ZINC000826386392	607770622	/nfs/dbraw/zinc/77/06/22/607770622.db2.gz	BWRDBWRDXJKSNL-UHFFFAOYSA-N	-1	3	362.378	2.442	20	30		FEEDHM
N#Cc1cccc(-c2csc(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)n2)c1	ZINC000826386392	607770623	/nfs/dbraw/zinc/77/06/23/607770623.db2.gz	BWRDBWRDXJKSNL-UHFFFAOYSA-N	-1	3	362.378	2.442	20	30		FEEDHM
C[C@@H]1C[C@H](CNC(=O)[O-])CN1CC(=O)C(C#N)c1nc2ccccc2s1	ZINC000833827985	605883538	/nfs/dbraw/zinc/88/35/38/605883538.db2.gz	COCLPCZEAQYBMZ-JHJVBQTASA-N	-1	3	372.450	2.451	20	30		FEEDHM
CCN(C)c1ccc(CSc2nc(N)c(-c3nnn[n-]3)cc2C#N)cc1	ZINC000821165094	606170503	/nfs/dbraw/zinc/17/05/03/606170503.db2.gz	PBGNVEKQGZINNO-UHFFFAOYSA-N	-1	3	366.454	2.464	20	30		FEEDHM
CCN(C)c1ccc(CSc2nc(N)c(-c3nn[n-]n3)cc2C#N)cc1	ZINC000821165094	606170505	/nfs/dbraw/zinc/17/05/05/606170505.db2.gz	PBGNVEKQGZINNO-UHFFFAOYSA-N	-1	3	366.454	2.464	20	30		FEEDHM
N#C[C@H](COC(=O)COc1ccc(-c2nn[n-]n2)cc1)Cc1ccccc1	ZINC000822802243	606182212	/nfs/dbraw/zinc/18/22/12/606182212.db2.gz	XYPSRJUKZQLTDG-OAHLLOKOSA-N	-1	3	363.377	2.171	20	30		FEEDHM
Cn1nnc2cc(C=C3CCc4cc(-c5nnn[n-]5)ccc4C3=O)ccc21	ZINC000822714337	606196217	/nfs/dbraw/zinc/19/62/17/606196217.db2.gz	LKQQZUMYQCSBJC-MDWZMJQESA-N	-1	3	357.377	2.361	20	30		FEEDHM
Cn1nnc2cc(C=C3CCc4cc(-c5nn[n-]n5)ccc4C3=O)ccc21	ZINC000822714337	606196218	/nfs/dbraw/zinc/19/62/18/606196218.db2.gz	LKQQZUMYQCSBJC-MDWZMJQESA-N	-1	3	357.377	2.361	20	30		FEEDHM
N#CCOc1ccc(Cl)cc1COC(=O)c1cc(-c2nnn[n-]2)c[nH]1	ZINC000822814488	606233138	/nfs/dbraw/zinc/23/31/38/606233138.db2.gz	FQXHCIUQFBVEID-UHFFFAOYSA-N	-1	3	358.745	2.108	20	30		FEEDHM
N#CCOc1ccc(Cl)cc1COC(=O)c1cc(-c2nn[n-]n2)c[nH]1	ZINC000822814488	606233140	/nfs/dbraw/zinc/23/31/40/606233140.db2.gz	FQXHCIUQFBVEID-UHFFFAOYSA-N	-1	3	358.745	2.108	20	30		FEEDHM
Cn1cc(C#N)cc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1	ZINC000822665161	606257861	/nfs/dbraw/zinc/25/78/61/606257861.db2.gz	JQDUGHSZGJKXIE-UHFFFAOYSA-N	-1	3	361.287	2.348	20	30		FEEDHM
Cn1cc(C#N)cc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1	ZINC000822665161	606257863	/nfs/dbraw/zinc/25/78/63/606257863.db2.gz	JQDUGHSZGJKXIE-UHFFFAOYSA-N	-1	3	361.287	2.348	20	30		FEEDHM
C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1	ZINC000820548897	606268208	/nfs/dbraw/zinc/26/82/08/606268208.db2.gz	HTYFVGOGEKDJDI-JTQLQIEISA-N	-1	3	352.329	2.283	20	30		FEEDHM
C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1	ZINC000820548897	606268210	/nfs/dbraw/zinc/26/82/10/606268210.db2.gz	HTYFVGOGEKDJDI-JTQLQIEISA-N	-1	3	352.329	2.283	20	30		FEEDHM
CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@H]1CCC[C@@H]1C#N	ZINC000820032478	606299921	/nfs/dbraw/zinc/29/99/21/606299921.db2.gz	OAGAYBLMDOCLOO-INWMFGNUSA-N	-1	3	354.414	2.079	20	30		FEEDHM
CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@H]1CCC[C@@H]1C#N	ZINC000820032478	606299923	/nfs/dbraw/zinc/29/99/23/606299923.db2.gz	OAGAYBLMDOCLOO-INWMFGNUSA-N	-1	3	354.414	2.079	20	30		FEEDHM
COC(=O)[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)Cc1ccc(C#N)cc1	ZINC000821650513	606315842	/nfs/dbraw/zinc/31/58/42/606315842.db2.gz	TWIFKXFHYMILHD-QGZVFWFLSA-N	-1	3	362.393	2.084	20	30		FEEDHM
COC(=O)[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)Cc1ccc(C#N)cc1	ZINC000821650513	606315843	/nfs/dbraw/zinc/31/58/43/606315843.db2.gz	TWIFKXFHYMILHD-QGZVFWFLSA-N	-1	3	362.393	2.084	20	30		FEEDHM
O=C(COc1cccc(-c2nnn[n-]2)c1)OCC#Cc1ccc(Cl)cc1	ZINC000823043991	606437767	/nfs/dbraw/zinc/43/77/67/606437767.db2.gz	OCJZRDRIFSISFK-UHFFFAOYSA-N	-1	3	368.780	2.494	20	30		FEEDHM
O=C(COc1cccc(-c2nn[n-]n2)c1)OCC#Cc1ccc(Cl)cc1	ZINC000823043991	606437769	/nfs/dbraw/zinc/43/77/69/606437769.db2.gz	OCJZRDRIFSISFK-UHFFFAOYSA-N	-1	3	368.780	2.494	20	30		FEEDHM
N#Cc1csc(C(=O)OCCCOc2ccc(-c3nn[n-]n3)cc2)c1	ZINC000822845702	606569661	/nfs/dbraw/zinc/56/96/61/606569661.db2.gz	DYOLXYSAQQQTRJ-UHFFFAOYSA-N	-1	3	355.379	2.426	20	30		FEEDHM
C[C@H](CC#N)N(C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F	ZINC000820218922	606657937	/nfs/dbraw/zinc/65/79/37/606657937.db2.gz	BGNSGXULFPQNIO-MRVPVSSYSA-N	-1	3	351.317	2.234	20	30		FEEDHM
C[C@H](CC#N)N(C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F	ZINC000820218922	606657938	/nfs/dbraw/zinc/65/79/38/606657938.db2.gz	BGNSGXULFPQNIO-MRVPVSSYSA-N	-1	3	351.317	2.234	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CCC(=O)N(CC)CC	ZINC000819743413	606673992	/nfs/dbraw/zinc/67/39/92/606673992.db2.gz	IPAUTQKXTASLHZ-UHFFFAOYSA-N	-1	3	370.457	2.030	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CCC(=O)N(CC)CC	ZINC000819743413	606673993	/nfs/dbraw/zinc/67/39/93/606673993.db2.gz	IPAUTQKXTASLHZ-UHFFFAOYSA-N	-1	3	370.457	2.030	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@@]1(C)CCCO1	ZINC000819744186	606719115	/nfs/dbraw/zinc/71/91/15/606719115.db2.gz	ZKQKZINUGORGTL-GOSISDBHSA-N	-1	3	356.430	2.133	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@@]1(C)CCCO1	ZINC000819744186	606719116	/nfs/dbraw/zinc/71/91/16/606719116.db2.gz	ZKQKZINUGORGTL-GOSISDBHSA-N	-1	3	356.430	2.133	20	30		FEEDHM
N#Cc1ccsc1NC(=O)COc1cc(Cl)ccc1-c1nnn[n-]1	ZINC000822842566	606785360	/nfs/dbraw/zinc/78/53/60/606785360.db2.gz	OJCCZMVRBXUMTN-UHFFFAOYSA-N	-1	3	360.786	2.471	20	30		FEEDHM
N#Cc1ccsc1NC(=O)COc1cc(Cl)ccc1-c1nn[n-]n1	ZINC000822842566	606785365	/nfs/dbraw/zinc/78/53/65/606785365.db2.gz	OJCCZMVRBXUMTN-UHFFFAOYSA-N	-1	3	360.786	2.471	20	30		FEEDHM
N#Cc1ccc(NC(=O)Cc2ccn(-c3ccccc3)n2)cc1-c1nnn[n-]1	ZINC000822829626	606850321	/nfs/dbraw/zinc/85/03/21/606850321.db2.gz	ASFOHJZISJRSPL-UHFFFAOYSA-N	-1	3	370.376	2.105	20	30		FEEDHM
N#Cc1ccc(NC(=O)Cc2ccn(-c3ccccc3)n2)cc1-c1nn[n-]n1	ZINC000822829626	606850322	/nfs/dbraw/zinc/85/03/22/606850322.db2.gz	ASFOHJZISJRSPL-UHFFFAOYSA-N	-1	3	370.376	2.105	20	30		FEEDHM
C#Cc1cccc(NC(=O)CN(C)Cc2ccc(F)c(-c3nnn[n-]3)c2)c1	ZINC000819710215	606962602	/nfs/dbraw/zinc/96/26/02/606962602.db2.gz	ZJIBSGAQKISYAI-UHFFFAOYSA-N	-1	3	364.384	2.058	20	30		FEEDHM
C#Cc1cccc(NC(=O)CN(C)Cc2ccc(F)c(-c3nn[n-]n3)c2)c1	ZINC000819710215	606962604	/nfs/dbraw/zinc/96/26/04/606962604.db2.gz	ZJIBSGAQKISYAI-UHFFFAOYSA-N	-1	3	364.384	2.058	20	30		FEEDHM
N#Cc1ccccc1N1CCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)CC1	ZINC000822842768	606969080	/nfs/dbraw/zinc/96/90/80/606969080.db2.gz	XVPNRQZOEKUNCX-UHFFFAOYSA-N	-1	3	363.400	2.200	20	30		FEEDHM
N#Cc1ccccc1N1CCN(Cc2ccc(F)c(-c3nn[n-]n3)c2)CC1	ZINC000822842768	606969082	/nfs/dbraw/zinc/96/90/82/606969082.db2.gz	XVPNRQZOEKUNCX-UHFFFAOYSA-N	-1	3	363.400	2.200	20	30		FEEDHM
N#Cc1ccc(NC(=O)CNc2ccc(-c3nn[n-]n3)cc2Cl)cc1	ZINC000822829855	607124992	/nfs/dbraw/zinc/12/49/92/607124992.db2.gz	MCYGHQGQXJLODF-UHFFFAOYSA-N	-1	3	353.773	2.442	20	30		FEEDHM
C[C@@H](Oc1ccccc1C#N)C(=O)Oc1ccc(-c2nnn[n-]2)cc1F	ZINC000820550009	607250085	/nfs/dbraw/zinc/25/00/85/607250085.db2.gz	UMGZCCRAGMMZEY-SNVBAGLBSA-N	-1	3	353.313	2.250	20	30		FEEDHM
C[C@@H](Oc1ccccc1C#N)C(=O)Oc1ccc(-c2nn[n-]n2)cc1F	ZINC000820550009	607250086	/nfs/dbraw/zinc/25/00/86/607250086.db2.gz	UMGZCCRAGMMZEY-SNVBAGLBSA-N	-1	3	353.313	2.250	20	30		FEEDHM
C[C@H](C#N)CN(Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)C1CC1	ZINC000824035330	607831317	/nfs/dbraw/zinc/83/13/17/607831317.db2.gz	XGLLZWDHDXBVNR-LLVKDONJSA-N	-1	3	350.386	2.041	20	30		FEEDHM
C[C@H](C#N)CN(Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)C1CC1	ZINC000824035330	607831318	/nfs/dbraw/zinc/83/13/18/607831318.db2.gz	XGLLZWDHDXBVNR-LLVKDONJSA-N	-1	3	350.386	2.041	20	30		FEEDHM
C[C@@H]1CCC[C@@H](NC(=S)NN=Cc2ccccc2-c2nnn[n-]2)[C@H]1C	ZINC000824927281	607883459	/nfs/dbraw/zinc/88/34/59/607883459.db2.gz	NMSGGFVCZZJKHR-TYNCELHUSA-N	-1	3	357.487	2.489	20	30		FEEDHM
C[C@@H]1CCC[C@@H](NC(=S)NN=Cc2ccccc2-c2nn[n-]n2)[C@H]1C	ZINC000824927281	607883460	/nfs/dbraw/zinc/88/34/60/607883460.db2.gz	NMSGGFVCZZJKHR-TYNCELHUSA-N	-1	3	357.487	2.489	20	30		FEEDHM
COc1ccc(NC(=S)NN=Cc2ccccc2-c2nnn[n-]2)cc1F	ZINC000826209478	607888754	/nfs/dbraw/zinc/88/87/54/607888754.db2.gz	DPISHEMRIXMQQO-UHFFFAOYSA-N	-1	3	371.401	2.335	20	30		FEEDHM
COc1ccc(NC(=S)NN=Cc2ccccc2-c2nn[n-]n2)cc1F	ZINC000826209478	607888755	/nfs/dbraw/zinc/88/87/55/607888755.db2.gz	DPISHEMRIXMQQO-UHFFFAOYSA-N	-1	3	371.401	2.335	20	30		FEEDHM
C=C(C)[C@@H](CC(=O)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1)OCC	ZINC000823873595	607894496	/nfs/dbraw/zinc/89/44/96/607894496.db2.gz	NVGULVZNYUEWMK-OAHLLOKOSA-N	-1	3	367.413	2.362	20	30		FEEDHM
CCOC(=O)[C@@H]1CCC(=NNCc2ccc(-c3nnn[n-]3)cc2)C[C@@H]1C	ZINC000825499309	607964810	/nfs/dbraw/zinc/96/48/10/607964810.db2.gz	KEFFKJHWGLXKCO-BLLLJJGKSA-N	-1	3	356.430	2.312	20	30		FEEDHM
CCOC(=O)[C@@H]1CCC(=NNCc2ccc(-c3nn[n-]n3)cc2)C[C@@H]1C	ZINC000825499309	607964811	/nfs/dbraw/zinc/96/48/11/607964811.db2.gz	KEFFKJHWGLXKCO-BLLLJJGKSA-N	-1	3	356.430	2.312	20	30		FEEDHM
Cc1cc(C#N)ccc1C(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1	ZINC000826256915	608084881	/nfs/dbraw/zinc/08/48/81/608084881.db2.gz	GGNSUEXOSQQWHN-SFHVURJKSA-N	-1	3	374.404	2.261	20	30		FEEDHM
Cc1cc(C#N)ccc1C(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1	ZINC000826256915	608084882	/nfs/dbraw/zinc/08/48/82/608084882.db2.gz	GGNSUEXOSQQWHN-SFHVURJKSA-N	-1	3	374.404	2.261	20	30		FEEDHM
COCCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc(C#N)cc1	ZINC000826161595	608138101	/nfs/dbraw/zinc/13/81/01/608138101.db2.gz	POXHVQYWYCBBPG-UHFFFAOYSA-N	-1	3	364.365	2.016	20	30		FEEDHM
COCCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(C#N)cc1	ZINC000826161595	608138102	/nfs/dbraw/zinc/13/81/02/608138102.db2.gz	POXHVQYWYCBBPG-UHFFFAOYSA-N	-1	3	364.365	2.016	20	30		FEEDHM
CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)Cc1cccc(C#N)c1	ZINC000825793627	608174387	/nfs/dbraw/zinc/17/43/87/608174387.db2.gz	YVJHNXRALSDWSV-UHFFFAOYSA-N	-1	3	372.392	2.289	20	30		FEEDHM
CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)Cc1cccc(C#N)c1	ZINC000825793627	608174388	/nfs/dbraw/zinc/17/43/88/608174388.db2.gz	YVJHNXRALSDWSV-UHFFFAOYSA-N	-1	3	372.392	2.289	20	30		FEEDHM
N#Cc1ccc(NCCNc2ccc3cc(-c4nnn[n-]4)ccc3n2)nc1	ZINC000826385543	608222595	/nfs/dbraw/zinc/22/25/95/608222595.db2.gz	QJEAMRCKYQOEFR-UHFFFAOYSA-N	-1	3	357.381	2.206	20	30		FEEDHM
N#Cc1ccc(NCCNc2ccc3cc(-c4nn[n-]n4)ccc3n2)nc1	ZINC000826385543	608222596	/nfs/dbraw/zinc/22/25/96/608222596.db2.gz	QJEAMRCKYQOEFR-UHFFFAOYSA-N	-1	3	357.381	2.206	20	30		FEEDHM
FC(F)(F)COCCNN=C1CCCc2cc(-c3nnn[n-]3)ccc21	ZINC000826368032	608229677	/nfs/dbraw/zinc/22/96/77/608229677.db2.gz	ZJFNZSLDAOUMIP-UHFFFAOYSA-N	-1	3	354.336	2.076	20	30		FEEDHM
FC(F)(F)COCCNN=C1CCCc2cc(-c3nn[n-]n3)ccc21	ZINC000826368032	608229680	/nfs/dbraw/zinc/22/96/80/608229680.db2.gz	ZJFNZSLDAOUMIP-UHFFFAOYSA-N	-1	3	354.336	2.076	20	30		FEEDHM
N#C[C@H](COC(=O)COc1ccc(-c2nn[n-]n2)cc1)Cc1cccs1	ZINC000826379470	608276383	/nfs/dbraw/zinc/27/63/83/608276383.db2.gz	SJAULRNXTMJUDP-GFCCVEGCSA-N	-1	3	369.406	2.233	20	30		FEEDHM
COc1cc(-c2nnn[n-]2)ccc1CON=CC(=O)Nc1ccc(F)cc1	ZINC000826173220	608324328	/nfs/dbraw/zinc/32/43/28/608324328.db2.gz	SRMHFVLBEQUXQX-UHFFFAOYSA-N	-1	3	370.344	2.156	20	30		FEEDHM
COc1cc(-c2nn[n-]n2)ccc1CON=CC(=O)Nc1ccc(F)cc1	ZINC000826173220	608324330	/nfs/dbraw/zinc/32/43/30/608324330.db2.gz	SRMHFVLBEQUXQX-UHFFFAOYSA-N	-1	3	370.344	2.156	20	30		FEEDHM
COc1cc(C(C)N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)ccc1O	ZINC000826177508	608539418	/nfs/dbraw/zinc/53/94/18/608539418.db2.gz	LGSUXMIUDPORPU-UHFFFAOYSA-N	-1	3	359.777	2.465	20	30		FEEDHM
COc1cc(C(C)N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)ccc1O	ZINC000826177508	608539419	/nfs/dbraw/zinc/53/94/19/608539419.db2.gz	LGSUXMIUDPORPU-UHFFFAOYSA-N	-1	3	359.777	2.465	20	30		FEEDHM
O=[N+]([O-])c1cc(C=NNc2cc(-c3nnn[n-]3)cc(Cl)n2)cs1	ZINC000826497470	608539610	/nfs/dbraw/zinc/53/96/10/608539610.db2.gz	IQNQXDQQQPWPRE-UHFFFAOYSA-N	-1	3	350.751	2.331	20	30		FEEDHM
O=[N+]([O-])c1cc(C=NNc2cc(-c3nn[n-]n3)cc(Cl)n2)cs1	ZINC000826497470	608539611	/nfs/dbraw/zinc/53/96/11/608539611.db2.gz	IQNQXDQQQPWPRE-UHFFFAOYSA-N	-1	3	350.751	2.331	20	30		FEEDHM
COc1ccc2c(c1)OCC2N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1	ZINC000826213318	608540161	/nfs/dbraw/zinc/54/01/61/608540161.db2.gz	SUYBYZKOOYMIDK-UHFFFAOYSA-N	-1	3	357.761	2.132	20	30		FEEDHM
COc1ccc2c(c1)OCC2N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1	ZINC000826213318	608540162	/nfs/dbraw/zinc/54/01/62/608540162.db2.gz	SUYBYZKOOYMIDK-UHFFFAOYSA-N	-1	3	357.761	2.132	20	30		FEEDHM
O=C1c2ccccc2CCN1N=Cc1c[nH]c2ccc(-c3nnn[n-]3)cc12	ZINC000826483438	608755591	/nfs/dbraw/zinc/75/55/91/608755591.db2.gz	NPXQOMUXHBTFKT-UHFFFAOYSA-N	-1	3	357.377	2.380	20	30		FEEDHM
O=C1c2ccccc2CCN1N=Cc1c[nH]c2ccc(-c3nn[n-]n3)cc12	ZINC000826483438	608755593	/nfs/dbraw/zinc/75/55/93/608755593.db2.gz	NPXQOMUXHBTFKT-UHFFFAOYSA-N	-1	3	357.377	2.380	20	30		FEEDHM
O=c1ccccn1N=Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1	ZINC000826501926	609161736	/nfs/dbraw/zinc/16/17/36/609161736.db2.gz	MORZHTADRUQSNX-UHFFFAOYSA-N	-1	3	372.388	2.490	20	30		FEEDHM
O=c1ccccn1N=Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1	ZINC000826501926	609161737	/nfs/dbraw/zinc/16/17/37/609161737.db2.gz	MORZHTADRUQSNX-UHFFFAOYSA-N	-1	3	372.388	2.490	20	30		FEEDHM
O=C(OCC#Cc1ccccc1)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1	ZINC000826463194	609255245	/nfs/dbraw/zinc/25/52/45/609255245.db2.gz	VORFKBYYMSOYOX-IBGZPJMESA-N	-1	3	373.416	2.430	20	30		FEEDHM
Cc1cc(NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)nn1CCC#N	ZINC000826270424	609274562	/nfs/dbraw/zinc/27/45/62/609274562.db2.gz	ZLBBWAKTGRFMOD-LBPRGKRZSA-N	-1	3	365.401	2.168	20	30		FEEDHM
Cc1cc(NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)nn1CCC#N	ZINC000826270424	609274563	/nfs/dbraw/zinc/27/45/63/609274563.db2.gz	ZLBBWAKTGRFMOD-LBPRGKRZSA-N	-1	3	365.401	2.168	20	30		FEEDHM
Cc1cc(C)cc(-n2ncc(C=NNCc3ccc(-c4nnn[n-]4)cc3)n2)c1	ZINC000826264136	609277716	/nfs/dbraw/zinc/27/77/16/609277716.db2.gz	DCWNRDMDZYBSAQ-UHFFFAOYSA-N	-1	3	373.424	2.188	20	30		FEEDHM
Cc1cc(C)cc(-n2ncc(C=NNCc3ccc(-c4nn[n-]n4)cc3)n2)c1	ZINC000826264136	609277718	/nfs/dbraw/zinc/27/77/18/609277718.db2.gz	DCWNRDMDZYBSAQ-UHFFFAOYSA-N	-1	3	373.424	2.188	20	30		FEEDHM
CC(C)(C#N)CNc1c(-c2nnn[n-]2)cnc2ccc(OC(F)F)cc21	ZINC000824058688	609389501	/nfs/dbraw/zinc/38/95/01/609389501.db2.gz	AJCHYQMSNFUAHM-UHFFFAOYSA-N	-1	3	359.340	2.400	20	30		FEEDHM
CC(C)(C#N)CNc1c(-c2nn[n-]n2)cnc2ccc(OC(F)F)cc21	ZINC000824058688	609389504	/nfs/dbraw/zinc/38/95/04/609389504.db2.gz	AJCHYQMSNFUAHM-UHFFFAOYSA-N	-1	3	359.340	2.400	20	30		FEEDHM
Cc1oc(NC(=O)[C@@H](C)N2CCC(CC#N)CC2)c(-c2nnn[n-]2)c1C	ZINC000826341512	609431498	/nfs/dbraw/zinc/43/14/98/609431498.db2.gz	JMTFJTJAGSSDOE-LLVKDONJSA-N	-1	3	357.418	2.029	20	30		FEEDHM
Cc1oc(NC(=O)[C@@H](C)N2CCC(CC#N)CC2)c(-c2nn[n-]n2)c1C	ZINC000826341512	609431501	/nfs/dbraw/zinc/43/15/01/609431501.db2.gz	JMTFJTJAGSSDOE-LLVKDONJSA-N	-1	3	357.418	2.029	20	30		FEEDHM
O=C1[C@@H](N=Cc2ccccc2O)CCCN1c1ccc(-c2nn[n-]n2)cc1	ZINC000826476804	609505622	/nfs/dbraw/zinc/50/56/22/609505622.db2.gz	PMQRTIRDDLHRLV-DEFALTHMSA-N	-1	3	362.393	2.187	20	30		FEEDHM
C[C@@H](CC(=O)O[C@@H]1CCCC[C@H]1F)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000810894856	674566881	/nfs/dbraw/zinc/56/68/81/674566881.db2.gz	IFQXNEFIBVQZKR-IACUBPJLSA-N	-1	3	368.430	2.328	20	30		FEEDHM
Cc1ccoc1COC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000816100961	675012676	/nfs/dbraw/zinc/01/26/76/675012676.db2.gz	APENSJGFGNXSCZ-GFCCVEGCSA-N	-1	3	362.407	2.149	20	30		FEEDHM
C=CCCc1ccccc1NC(=O)C[N-]S(=O)(=O)c1c(C)noc1C	ZINC000564692290	675052265	/nfs/dbraw/zinc/05/22/65/675052265.db2.gz	DRNVFZKBFTUTMB-UHFFFAOYSA-N	-1	3	363.439	2.327	20	30		FEEDHM
C[C@@H](C#N)OC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl	ZINC000022301242	670039127	/nfs/dbraw/zinc/03/91/27/670039127.db2.gz	AKLPLDMFZCBKOC-QMMMGPOBSA-N	-1	3	351.211	2.117	20	30		FEEDHM
O=C(COc1ccc(-c2ccccc2)cc1Cl)N[C@H]1CCN([O-])C1=O	ZINC000816693130	675073276	/nfs/dbraw/zinc/07/32/76/675073276.db2.gz	CPNDMCASSDYSIZ-HNNXBMFYSA-N	-1	3	360.797	2.492	20	30		FEEDHM
O=C(N[C@H]1CCN([O-])C1=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1	ZINC000816693629	675073665	/nfs/dbraw/zinc/07/36/65/675073665.db2.gz	OXHIZCOGWULWED-ZDUSSCGKSA-N	-1	3	365.411	2.349	20	30		FEEDHM
O=C(CCSc1ccc(Br)cc1)N[C@H]1CCCN([O-])C1=O	ZINC000816755653	675077589	/nfs/dbraw/zinc/07/75/89/675077589.db2.gz	GBKQYBSAALGRMX-LBPRGKRZSA-N	-1	3	373.272	2.428	20	30		FEEDHM
CCCOc1ccc(C(=O)N[C@H]2CCCN([O-])C2=O)cc1OCCC	ZINC000816752352	675077759	/nfs/dbraw/zinc/07/77/59/675077759.db2.gz	AGXJMEXJJRIFLX-AWEZNQCLSA-N	-1	3	350.415	2.374	20	30		FEEDHM
Cc1ccc(O[C@@H](C)C(=O)N[C@H]2CCCN([O-])C2=O)c(Br)c1	ZINC000816759771	675078394	/nfs/dbraw/zinc/07/83/94/675078394.db2.gz	UQZBPBIEQXRGBF-JQWIXIFHSA-N	-1	3	371.231	2.021	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCC(C=C)CC2)ccc1F	ZINC000110364384	670849213	/nfs/dbraw/zinc/84/92/13/670849213.db2.gz	JGFKOVWGHCEBPE-UHFFFAOYSA-N	-1	3	352.431	2.328	20	30		FEEDHM
C[S@](=O)Cc1ccc(Cl)c([N-]S(=O)(=O)c2cncc(C#N)c2)c1	ZINC000572774379	671043338	/nfs/dbraw/zinc/04/33/38/671043338.db2.gz	GPBUKAIZXYQOJE-QFIPXVFZSA-N	-1	3	369.855	2.286	20	30		FEEDHM
C=C[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1cc(Br)ccc1F	ZINC000579199373	671718471	/nfs/dbraw/zinc/71/84/71/671718471.db2.gz	UEWLBRRSCBBSJQ-MNOVXSKESA-N	-1	3	350.209	2.210	20	30		FEEDHM
N#Cc1c(Br)cccc1S(=O)(=O)[N-]CCOC(F)(F)F	ZINC000579219612	671720216	/nfs/dbraw/zinc/72/02/16/671720216.db2.gz	OWFFENFXQJQTAU-UHFFFAOYSA-N	-1	3	373.150	2.135	20	30		FEEDHM
Cc1nc([N-]C(=O)c2ccc([N+](=O)[O-])s2)n(-c2ccc(C#N)cc2)n1	ZINC000610232635	675959951	/nfs/dbraw/zinc/95/99/51/675959951.db2.gz	FGYFZSGGYGISMD-UHFFFAOYSA-N	-1	3	354.351	2.091	20	30		FEEDHM
Cc1cc(NCC[N-]S(=O)(=O)c2ccc(Cl)s2)cc(C#N)n1	ZINC000583313841	672083476	/nfs/dbraw/zinc/08/34/76/672083476.db2.gz	MIDQDMDXNBZJHB-UHFFFAOYSA-N	-1	3	356.860	2.367	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H](C)[C@@H](C)C2)ccc1F	ZINC000132125667	672094908	/nfs/dbraw/zinc/09/49/08/672094908.db2.gz	VDTBUFDDYVSUFB-STQMWFEESA-N	-1	3	354.447	2.408	20	30		FEEDHM
C#CCN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]CC=C)c1)C1CCCC1	ZINC000163971249	672311299	/nfs/dbraw/zinc/31/12/99/672311299.db2.gz	UCXBFFAMPQVAFK-UHFFFAOYSA-N	-1	3	364.442	2.308	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCS[C@H](CC)C2)ccc1F	ZINC000174789350	672363371	/nfs/dbraw/zinc/36/33/71/672363371.db2.gz	ZGHRPVXRYCBJEU-CYBMUJFWSA-N	-1	3	372.487	2.258	20	30		FEEDHM
COC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)c(F)c1)c1cccs1	ZINC000589884770	672544517	/nfs/dbraw/zinc/54/45/17/672544517.db2.gz	ULVUWVQQODNGHT-CYBMUJFWSA-N	-1	3	368.411	2.342	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CC[C@](O)(C(F)(F)F)C2)c(Cl)c1	ZINC000589921898	672547326	/nfs/dbraw/zinc/54/73/26/672547326.db2.gz	CPGJZHNVERFMCF-BXKDBHETSA-N	-1	3	368.764	2.336	20	30		FEEDHM
CCCCCCCS(=O)(=O)N1CCN(C(=O)c2ccccc2[O-])CC1	ZINC000195281144	672780763	/nfs/dbraw/zinc/78/07/63/672780763.db2.gz	OVVXLRWVGFBSKL-UHFFFAOYSA-N	-1	3	368.499	2.450	20	30		FEEDHM
C#Cc1ccc(C(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)cn1	ZINC000728861793	673213261	/nfs/dbraw/zinc/21/32/61/673213261.db2.gz	PAWLORJMGRXTGO-UHFFFAOYSA-N	-1	3	359.407	2.085	20	30		FEEDHM
C=CC[C@@H](CO)CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1	ZINC000539322623	673483856	/nfs/dbraw/zinc/48/38/56/673483856.db2.gz	DNESIFKTXLLQBP-SNVBAGLBSA-N	-1	3	365.227	2.205	20	30		FEEDHM
C[C@H](COC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21)c1ccccc1	ZINC000735127760	673484797	/nfs/dbraw/zinc/48/47/97/673484797.db2.gz	RHHSUPJIXUXVCA-CYBMUJFWSA-N	-1	3	358.419	2.072	20	30		FEEDHM
O=C(NCCN/C([O-])=C1/N=CC=CC1=O)Nc1nc2ccsc2s1	ZINC000735576708	673496924	/nfs/dbraw/zinc/49/69/24/673496924.db2.gz	HMJNFTWYYUSQOS-KHPPLWFESA-N	-1	3	363.424	2.006	20	30		FEEDHM
C#CCSCCNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1	ZINC000739817971	673636768	/nfs/dbraw/zinc/63/67/68/673636768.db2.gz	PIKPKLGAKSWNPR-UHFFFAOYSA-N	-1	3	365.252	2.387	20	30		FEEDHM
C=CC[C@@H](CO)C[N-]S(=O)(=O)c1cccc(Br)c1F	ZINC000543394130	673644428	/nfs/dbraw/zinc/64/44/28/673644428.db2.gz	NZXGMDGOXJRUJQ-SECBINFHSA-N	-1	3	352.225	2.051	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CC[C@@H](SC)C2)ccc1F	ZINC000742744031	673736619	/nfs/dbraw/zinc/73/66/19/673736619.db2.gz	IYIQIFOESRACET-CHWSQXEVSA-N	-1	3	372.487	2.304	20	30		FEEDHM
Cc1c(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)nnn1C	ZINC000744030520	673779777	/nfs/dbraw/zinc/77/97/77/673779777.db2.gz	HARFFOYHQPCEPM-VIFPVBQESA-N	-1	3	352.181	2.392	20	30		FEEDHM
CCOc1ccc(NC(=O)C[N-]S(=O)(=O)CC2(C#N)CCCC2)cc1	ZINC000546770554	673817287	/nfs/dbraw/zinc/81/72/87/673817287.db2.gz	PBFQTIAXBGQXOM-UHFFFAOYSA-N	-1	3	365.455	2.027	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H]2C[C@H]2C2CCC2)ccc1F	ZINC000819603195	675303986	/nfs/dbraw/zinc/30/39/86/675303986.db2.gz	BXPMPSDGKSDJIZ-GJZGRUSLSA-N	-1	3	366.458	2.456	20	30		FEEDHM
O=C(CCC(=O)c1cc(Cl)sc1Cl)N[C@@H]1CCN([O-])C1=O	ZINC000820149146	675339512	/nfs/dbraw/zinc/33/95/12/675339512.db2.gz	MATUZGFCDRIKAF-SSDOTTSWSA-N	-1	3	351.211	2.124	20	30		FEEDHM
CC(C)(Sc1ccc(Br)cc1)C(=O)N[C@H]1CCN([O-])C1=O	ZINC000820155842	675339820	/nfs/dbraw/zinc/33/98/20/675339820.db2.gz	AHNBDVWZUQRACV-NSHDSACASA-N	-1	3	373.272	2.426	20	30		FEEDHM
O=C(CN(Cc1ccco1)c1cccc(Cl)c1)N[C@@H]1CCN([O-])C1=O	ZINC000820155971	675339990	/nfs/dbraw/zinc/33/99/90/675339990.db2.gz	BXDJPAIKJAZTNS-OAHLLOKOSA-N	-1	3	363.801	2.046	20	30		FEEDHM
Cc1csc(SCc2ccccc2C(=O)N[C@H]2CCN([O-])C2=O)n1	ZINC000820156824	675340103	/nfs/dbraw/zinc/34/01/03/675340103.db2.gz	OHTCDAVKEIIURY-ZDUSSCGKSA-N	-1	3	363.464	2.464	20	30		FEEDHM
O=C(N[C@@H]1CCN([O-])C1=O)c1cccnc1SCc1ccc(F)cc1	ZINC000820175230	675341305	/nfs/dbraw/zinc/34/13/05/675341305.db2.gz	VNDIOGJKORWYCE-CQSZACIVSA-N	-1	3	361.398	2.233	20	30		FEEDHM
O=C(N[C@@H]1CCN([O-])C1=O)c1c2c(sc1-n1cccc1)CSCC2	ZINC000820180390	675341539	/nfs/dbraw/zinc/34/15/39/675341539.db2.gz	XJUQQXGKWKMFAL-LLVKDONJSA-N	-1	3	363.464	2.048	20	30		FEEDHM
Cc1cc(C(=O)N[C@@H]2CCN([O-])C2=O)c2cc(Br)ccc2n1	ZINC000820185337	675342194	/nfs/dbraw/zinc/34/21/94/675342194.db2.gz	NGCVQCMASGCNKD-CYBMUJFWSA-N	-1	3	364.199	2.026	20	30		FEEDHM
Cc1ccc2[nH]c(C(=O)N[C@@H]3CCCN([O-])C3=O)cc2c1Br	ZINC000820544495	675368732	/nfs/dbraw/zinc/36/87/32/675368732.db2.gz	MECVDSIJUSHHAB-LLVKDONJSA-N	-1	3	366.215	2.349	20	30		FEEDHM
Clc1ccc2ncc(C=NNCc3ccc(-c4nnn[n-]4)cc3)n2c1	ZINC000822582088	675493079	/nfs/dbraw/zinc/49/30/79/675493079.db2.gz	PWXGKIKMVALROI-UHFFFAOYSA-N	-1	3	352.789	2.292	20	30		FEEDHM
Clc1ccc2ncc(C=NNCc3ccc(-c4nn[n-]n4)cc3)n2c1	ZINC000822582088	675493082	/nfs/dbraw/zinc/49/30/82/675493082.db2.gz	PWXGKIKMVALROI-UHFFFAOYSA-N	-1	3	352.789	2.292	20	30		FEEDHM
N#Cc1csc(C(=O)OCCCOc2cccc(-c3nnn[n-]3)c2)c1	ZINC000822845928	675510907	/nfs/dbraw/zinc/51/09/07/675510907.db2.gz	IYFSGQYSGVRIDP-UHFFFAOYSA-N	-1	3	355.379	2.426	20	30		FEEDHM
N#Cc1csc(C(=O)OCCCOc2cccc(-c3nn[n-]n3)c2)c1	ZINC000822845928	675510909	/nfs/dbraw/zinc/51/09/09/675510909.db2.gz	IYFSGQYSGVRIDP-UHFFFAOYSA-N	-1	3	355.379	2.426	20	30		FEEDHM
COC(=O)c1cc(S(=O)(=O)[N-]Cc2ccc(C#N)c(Cl)c2)oc1C	ZINC000619753246	676393515	/nfs/dbraw/zinc/39/35/15/676393515.db2.gz	SEZIFYUFIAYJCK-UHFFFAOYSA-N	-1	3	368.798	2.378	20	30		FEEDHM
C=CC(C)(C)CCNS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1	ZINC000625327112	676639330	/nfs/dbraw/zinc/63/93/30/676639330.db2.gz	CKMRQFXZGIAKIL-UHFFFAOYSA-N	-1	3	355.851	2.401	20	30		FEEDHM
C=CC(C)(C)CCNS(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1	ZINC000625327112	676639332	/nfs/dbraw/zinc/63/93/32/676639332.db2.gz	CKMRQFXZGIAKIL-UHFFFAOYSA-N	-1	3	355.851	2.401	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2nccn2C2CC2)ccc1F	ZINC000840570411	680832554	/nfs/dbraw/zinc/83/25/54/680832554.db2.gz	HUFJCTBTMWCPRE-UHFFFAOYSA-N	-1	3	364.402	2.074	20	30		FEEDHM
N#CC1([N-]C(=O)C(F)(F)n2cc(-c3ccccc3)nn2)CCSCC1	ZINC000831199290	679945084	/nfs/dbraw/zinc/94/50/84/679945084.db2.gz	TVEOUBAXHDLFHK-UHFFFAOYSA-N	-1	3	363.393	2.400	20	30		FEEDHM
C#CCN1CCC[C@H]1C(=O)Nc1cc(I)ccc1[O-]	ZINC000748309035	679950488	/nfs/dbraw/zinc/95/04/88/679950488.db2.gz	FXMLSGBDEXFXGR-LBPRGKRZSA-N	-1	3	370.190	2.033	20	30		FEEDHM
C[C@@H](CC(=O)N(C)c1ccsc1)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000912009079	685298229	/nfs/dbraw/zinc/29/82/29/685298229.db2.gz	FKSCDLWEFBROEU-NSHDSACASA-N	-1	3	363.464	2.228	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)NCCC(C)(C)COC)ccc1F	ZINC000832774454	680175211	/nfs/dbraw/zinc/17/52/11/680175211.db2.gz	ZFAXWRGOUXKVAR-UHFFFAOYSA-N	-1	3	372.462	2.083	20	30		FEEDHM
C=CC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)oc1C)c1ccncc1	ZINC000754805239	680379953	/nfs/dbraw/zinc/37/99/53/680379953.db2.gz	ORYMHWHJBRQFOR-CYBMUJFWSA-N	-1	3	350.396	2.365	20	30		FEEDHM
CC(C)[C@@H](CO)O[N-]C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1	ZINC000836499195	680477517	/nfs/dbraw/zinc/47/75/17/680477517.db2.gz	BMNNFLGJCMJDMS-CQSZACIVSA-N	-1	3	363.805	2.467	20	30		FEEDHM
Cc1nc([N-]C(=O)C(F)(F)c2nccs2)n(-c2ccc(C#N)cc2)n1	ZINC000756708234	680493348	/nfs/dbraw/zinc/49/33/48/680493348.db2.gz	WNOKLHVESCLZBV-UHFFFAOYSA-N	-1	3	360.349	2.056	20	30		FEEDHM
COCCCNC(=S)NN=C(C)c1ccc(Br)cc1[O-]	ZINC000756822935	680499867	/nfs/dbraw/zinc/49/98/67/680499867.db2.gz	DEALFXMIMPOCLC-UHFFFAOYSA-N	-1	3	360.277	2.379	20	30		FEEDHM
C=CCO[N-]C(=O)[C@@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1	ZINC000837044331	680546173	/nfs/dbraw/zinc/54/61/73/680546173.db2.gz	LKXFTYSPJXLKFP-GFCCVEGCSA-N	-1	3	354.353	2.374	20	30		FEEDHM
CCOC(=O)[C@H]1CCC(=N[N-]S(=O)(=O)Cc2ccccc2)C[C@@H]1C	ZINC000758115638	680556186	/nfs/dbraw/zinc/55/61/86/680556186.db2.gz	GXCXDJIPPKRLRW-BBRMVZONSA-N	-1	3	352.456	2.461	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)NCCOC(C)(C)CC)ccc1F	ZINC000837280402	680579464	/nfs/dbraw/zinc/57/94/64/680579464.db2.gz	AHSNIOSGZXBKER-UHFFFAOYSA-N	-1	3	372.462	2.225	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H](CC(C)C)OC)ccc1F	ZINC000841348794	680874181	/nfs/dbraw/zinc/87/41/81/680874181.db2.gz	GIWUTXXEOFOMEG-CQSZACIVSA-N	-1	3	372.462	2.081	20	30		FEEDHM
C#C[C@@H](CC)[N-]S(=O)(=O)c1cc(Br)cc(F)c1OC	ZINC000770377032	681014169	/nfs/dbraw/zinc/01/41/69/681014169.db2.gz	OUYURRQMBRDNSM-VIFPVBQESA-N	-1	3	350.209	2.287	20	30		FEEDHM
C#C[C@H](CC)[N-]S(=O)(=O)c1cc(Br)cc(F)c1OC	ZINC000770377031	681014195	/nfs/dbraw/zinc/01/41/95/681014195.db2.gz	OUYURRQMBRDNSM-SECBINFHSA-N	-1	3	350.209	2.287	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@]3(CC3(F)F)C2)ccc1F	ZINC000845017251	681098864	/nfs/dbraw/zinc/09/88/64/681098864.db2.gz	SWMBRHKKZKCFAY-OAHLLOKOSA-N	-1	3	374.384	2.161	20	30		FEEDHM
C#C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)[C@@H]1CCCO1	ZINC000773048947	681122655	/nfs/dbraw/zinc/12/26/55/681122655.db2.gz	IXLYYTOJFWDDFM-NEPJUHHUSA-N	-1	3	351.321	2.304	20	30		FEEDHM
C=C(C)CO[N-]C(=O)CCCNS(=O)(=O)c1ccc2c(c1)CCCC2	ZINC000846540378	681256338	/nfs/dbraw/zinc/25/63/38/681256338.db2.gz	SDLLLVMNAYPQOC-UHFFFAOYSA-N	-1	3	366.483	2.248	20	30		FEEDHM
O=C(CSCc1ccc(Br)cc1)N[C@@H]1CCCN([O-])C1=O	ZINC000848138079	681478758	/nfs/dbraw/zinc/47/87/58/681478758.db2.gz	LPZSNDDMBCMXOX-GFCCVEGCSA-N	-1	3	373.272	2.179	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H](C)[C@@H](F)C2)ccc1F	ZINC000778472743	681615551	/nfs/dbraw/zinc/61/55/51/681615551.db2.gz	XOUKBZHRWMHFHY-FZMZJTMJSA-N	-1	3	358.410	2.110	20	30		FEEDHM
COc1cc(C=NNc2ccc(S(C)(=O)=O)cc2)c([N+](=O)[O-])cc1[O-]	ZINC000914835548	685510080	/nfs/dbraw/zinc/51/00/80/685510080.db2.gz	JVLZEKXVALBPHL-UHFFFAOYSA-N	-1	3	365.367	2.159	20	30		FEEDHM
CC[C@@]1(C)NC(=O)N(N=Cc2cc(Br)c([O-])c(OC)c2)C1=O	ZINC000916330263	685523720	/nfs/dbraw/zinc/52/37/20/685523720.db2.gz	FZGQHXMNEFLJFG-CQSZACIVSA-N	-1	3	370.203	2.218	20	30		FEEDHM
CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)O[C@@H](C)C(F)F	ZINC000786523039	682383500	/nfs/dbraw/zinc/38/35/00/682383500.db2.gz	YTKAGBSQOKYUAU-JQWIXIFHSA-N	-1	3	374.409	2.337	20	30		FEEDHM
C#C[C@H]([N-]C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1)C1CCOCC1	ZINC000853861371	682480542	/nfs/dbraw/zinc/48/05/42/682480542.db2.gz	ZQIASBUKKMZSQI-AWEZNQCLSA-N	-1	3	354.309	2.111	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H]3CCCC[C@@H]32)ccc1F	ZINC000855062467	682626391	/nfs/dbraw/zinc/62/63/91/682626391.db2.gz	OGVAWPRLNSQLTC-ZFWWWQNUSA-N	-1	3	352.431	2.305	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)CC(C)(C)C#N)c1nc(-c2cccc(F)c2)no1	ZINC000790028612	682649142	/nfs/dbraw/zinc/64/91/42/682649142.db2.gz	CVKDJCNGGYOUAN-SNVBAGLBSA-N	-1	3	352.391	2.406	20	30		FEEDHM
N#Cc1ccc(NC(=O)COC(=O)c2cccc3nn[n-]c32)cc1Cl	ZINC000790072801	682654480	/nfs/dbraw/zinc/65/44/80/682654480.db2.gz	BWXJABSKTYMHTK-UHFFFAOYSA-N	-1	3	355.741	2.278	20	30		FEEDHM
N#Cc1ccc(NC(=O)COC(=O)c2cccc3[n-]nnc32)cc1Cl	ZINC000790072801	682654485	/nfs/dbraw/zinc/65/44/85/682654485.db2.gz	BWXJABSKTYMHTK-UHFFFAOYSA-N	-1	3	355.741	2.278	20	30		FEEDHM
N#Cc1ccc(NC(=O)COC(=O)c2cccc3n[n-]nc32)cc1Cl	ZINC000790072801	682654488	/nfs/dbraw/zinc/65/44/88/682654488.db2.gz	BWXJABSKTYMHTK-UHFFFAOYSA-N	-1	3	355.741	2.278	20	30		FEEDHM
COc1cccc([C@@H](C#N)[N-]C(=O)C(F)(F)C2CCOCC2)c1OC	ZINC000790592400	682687291	/nfs/dbraw/zinc/68/72/91/682687291.db2.gz	WSKHURVEIWSVGA-CYBMUJFWSA-N	-1	3	354.353	2.447	20	30		FEEDHM
Cc1cnn(C)c1C=Nn1c(=S)[n-]nc1[C@@H]1COc2ccccc2O1	ZINC000794876576	683000837	/nfs/dbraw/zinc/00/08/37/683000837.db2.gz	HMLLESWQFSCQJQ-AWEZNQCLSA-N	-1	3	356.411	2.003	20	30		FEEDHM
CC(=N[N-]S(=O)(=O)CCc1ccccc1)c1ccc2[nH]c(=O)oc2c1	ZINC000794915672	683002938	/nfs/dbraw/zinc/00/29/38/683002938.db2.gz	SYAOEFLSPIIWTR-UHFFFAOYSA-N	-1	3	359.407	2.420	20	30		FEEDHM
C#CC[C@H](CCOC)[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F	ZINC000859424824	683107303	/nfs/dbraw/zinc/10/73/03/683107303.db2.gz	LKXGBECAPSAYFI-SNVBAGLBSA-N	-1	3	369.336	2.431	20	30		FEEDHM
C#CC[C@H](COC)[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F	ZINC000859429313	683108502	/nfs/dbraw/zinc/10/85/02/683108502.db2.gz	DEONMJSVXMTPNV-SECBINFHSA-N	-1	3	355.309	2.041	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCC(C)=C(C)C2)ccc1F	ZINC000797761125	683271507	/nfs/dbraw/zinc/27/15/07/683271507.db2.gz	DHUXAHDFBYUPPC-UHFFFAOYSA-N	-1	3	352.431	2.472	20	30		FEEDHM
C#CCC[C@H](O)C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F	ZINC000798486763	683358105	/nfs/dbraw/zinc/35/81/05/683358105.db2.gz	JKEXJJGJTGONMQ-JTQLQIEISA-N	-1	3	355.765	2.411	20	30		FEEDHM
C[C@H](CC(=O)OCC#CC(C)(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000798890770	683402426	/nfs/dbraw/zinc/40/24/26/683402426.db2.gz	KYXQNWWFIOIGMR-CYBMUJFWSA-N	-1	3	362.451	2.096	20	30		FEEDHM
CC[C@H](C(=O)N[C@H]1CCCN([O-])C1=O)c1ccc(Br)cc1	ZINC000861827719	683481328	/nfs/dbraw/zinc/48/13/28/683481328.db2.gz	LLUUQPOAFLVOOJ-STQMWFEESA-N	-1	3	355.232	2.439	20	30		FEEDHM
Cc1ncc(CO)c(/C=N/C[C@H](C)c2ccc(S(C)(=O)=O)cc2)c1[O-]	ZINC000864349284	683840410	/nfs/dbraw/zinc/84/04/10/683840410.db2.gz	WNNFHZKEKNLXNK-NJDFMEINSA-N	-1	3	362.451	2.214	20	30		FEEDHM
C=C(Cl)C[C@H]([N-]S(=O)(=O)c1cccc(OC)c1F)C(=O)OCC	ZINC000867590263	684323223	/nfs/dbraw/zinc/32/32/23/684323223.db2.gz	YDAZBTBDWHFCQK-JTQLQIEISA-N	-1	3	365.810	2.187	20	30		FEEDHM
CCOC(=O)[C@@H](CC=C(C)C)[N-]S(=O)(=O)Cc1ccc(CC#N)cc1	ZINC000867759006	684375928	/nfs/dbraw/zinc/37/59/28/684375928.db2.gz	LYDHDCIWFBRKLD-QGZVFWFLSA-N	-1	3	364.467	2.460	20	30		FEEDHM
C[C@]1(c2cccc(Br)c2)C[C@@H]1C(=O)N[C@H]1CCCN([O-])C1=O	ZINC000868563935	684511853	/nfs/dbraw/zinc/51/18/53/684511853.db2.gz	YKBZQLSGNCZAOG-DVOMOZLQSA-N	-1	3	367.243	2.223	20	30		FEEDHM
C=C(C)CS(=O)(=O)[N-][C@H](C(=O)OC)c1cccc(C(F)(F)F)c1	ZINC000872542380	684974868	/nfs/dbraw/zinc/97/48/68/684974868.db2.gz	AHTNFCLLXBEXRP-LBPRGKRZSA-N	-1	3	351.346	2.415	20	30		FEEDHM
CN(C)c1ccc(C#N)cc1CN1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1	ZINC000877773093	686451559	/nfs/dbraw/zinc/45/15/59/686451559.db2.gz	DNVAFNMBWFJDLI-MRXNPFEDSA-N	-1	3	354.376	2.267	20	30		FEEDHM
CN(C)c1nc(CN[C@H]2CCCN([O-])C2=O)c(Cl)n1-c1ccccc1	ZINC000895158465	689669176	/nfs/dbraw/zinc/66/91/76/689669176.db2.gz	JRJMNJIDCAFNDG-ZDUSSCGKSA-N	-1	3	363.849	2.062	20	30		FEEDHM
CCNS(=O)(=O)c1cccc(C(=O)N([O-])Cc2ccc(F)cc2)c1	ZINC000901376205	690641643	/nfs/dbraw/zinc/64/16/43/690641643.db2.gz	QFVQWTAMWNHOKE-UHFFFAOYSA-N	-1	3	352.387	2.156	20	30		FEEDHM
COC(=O)[C@@H](CC(F)F)[N-]S(=O)(=O)c1c(C#N)sc2ccccc21	ZINC000907078640	691389220	/nfs/dbraw/zinc/38/92/20/691389220.db2.gz	MUYJTZFPIJJOEH-SECBINFHSA-N	-1	3	374.390	2.248	20	30		FEEDHM
C[C@](O)(C[N-]S(=O)(=O)c1c(C#N)sc2ccccc21)C(F)(F)F	ZINC000907080082	691389757	/nfs/dbraw/zinc/38/97/57/691389757.db2.gz	YZLDSDUGAHGUER-LBPRGKRZSA-N	-1	3	364.370	2.365	20	30		FEEDHM
C#CCN(C)CCCNC(=O)N[C@](CC)(C(=O)[O-])c1ccc(Cl)cc1	ZINC000909038580	691770206	/nfs/dbraw/zinc/77/02/06/691770206.db2.gz	YPUBFSPBXXDBAM-SFHVURJKSA-N	-1	3	365.861	2.284	20	30		FEEDHM
C=C(Cl)C[C@H](NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1)C(=O)[O-]	ZINC000910264390	691908320	/nfs/dbraw/zinc/90/83/20/691908320.db2.gz	CHVVNOKODQVEOJ-CABCVRRESA-N	-1	3	351.834	2.006	20	30		FEEDHM
Cc1cc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)nn1-c1cccc(C#N)c1	ZINC000505752694	887860134	/nfs/dbraw/zinc/86/01/34/887860134.db2.gz	IPKDCVVQBFGQOC-UHFFFAOYSA-N	-1	3	361.287	2.442	20	30		FEEDHM
Cc1cc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)nn1-c1cccc(C#N)c1	ZINC000505752694	887860140	/nfs/dbraw/zinc/86/01/40/887860140.db2.gz	IPKDCVVQBFGQOC-UHFFFAOYSA-N	-1	3	361.287	2.442	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H](c1cccs1)N(C)C	ZINC000012913851	539578654	/nfs/dbraw/zinc/57/86/54/539578654.db2.gz	HXPOTGDRSKAKSB-MRXNPFEDSA-N	-1	3	372.494	2.277	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCc1ccc([N+](=O)[O-])cc1	ZINC000054168129	540572779	/nfs/dbraw/zinc/57/27/79/540572779.db2.gz	YJVHPINZJYJCAF-UHFFFAOYSA-N	-1	3	368.393	2.063	20	30		FEEDHM
Cc1nc(C2(NC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)CCCC2)no1	ZINC000055552869	540658766	/nfs/dbraw/zinc/65/87/66/540658766.db2.gz	PDRQBFDMKRSZAY-UHFFFAOYSA-N	-1	3	369.425	2.073	20	30		FEEDHM
COc1ccc(Br)cc1S(=O)(=O)[N-][C@H]1CCC[C@H]1C#N	ZINC000061890905	541141685	/nfs/dbraw/zinc/14/16/85/541141685.db2.gz	MAEWFNZOKBZBQS-ONGXEEELSA-N	-1	3	359.245	2.428	20	30		FEEDHM
COc1ccccc1-c1nc(NC(=O)COc2ccc(C(N)=O)cc2)n[n-]1	ZINC000066045419	541279032	/nfs/dbraw/zinc/27/90/32/541279032.db2.gz	PROPGGFCKVXTOF-UHFFFAOYSA-N	-1	3	367.365	2.246	20	30		FEEDHM
O=C(c1ccc2c(c1)COC2)C(C(=S)[N-]C1CC1)[n+]1cccc([O-])c1	ZINC000069047715	541652476	/nfs/dbraw/zinc/65/24/76/541652476.db2.gz	ZGUPUAOPVSYZRQ-UHFFFAOYSA-O	-1	3	355.439	2.401	20	30		FEEDHM
Cc1nc(C)c(CC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c(=O)[n-]1	ZINC000075298853	542167067	/nfs/dbraw/zinc/16/70/67/542167067.db2.gz	OQCMCJUDBNBBOS-ZWKOTPCHSA-N	-1	3	350.422	2.228	20	30		FEEDHM
C=CCNc1ncc(C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)s1	ZINC000126120735	543918752	/nfs/dbraw/zinc/91/87/52/543918752.db2.gz	WRJWJNOXMXUNFR-UHFFFAOYSA-N	-1	3	372.450	2.045	20	30		FEEDHM
N#Cc1cccc(NC(=O)C(=O)NCc2ccc([O-])c(Br)c2)c1	ZINC000132309489	544226720	/nfs/dbraw/zinc/22/67/20/544226720.db2.gz	HIKVICZNIZDKLP-UHFFFAOYSA-N	-1	3	374.194	2.281	20	30		FEEDHM
C=CCNc1ncc(C(=O)N2CCN(C(=O)c3cccc([O-])c3)CC2)s1	ZINC000136243991	544369642	/nfs/dbraw/zinc/36/96/42/544369642.db2.gz	PESQCCODKMNWNF-UHFFFAOYSA-N	-1	3	372.450	2.045	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]CCCN2CCc3ccccc3C2)c(F)c1	ZINC000151056462	544500399	/nfs/dbraw/zinc/50/03/99/544500399.db2.gz	IWNUZCUTWCANMP-UHFFFAOYSA-N	-1	3	373.453	2.424	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc(Cn3ccnc3)cc2)c(F)c1	ZINC000151075010	544503358	/nfs/dbraw/zinc/50/33/58/544503358.db2.gz	HWHMWOLSCTUTAX-UHFFFAOYSA-N	-1	3	370.409	2.421	20	30		FEEDHM
CC[C@H](C)[N-]C(=S)C(C(=O)c1cnn(C)c1)[n+]1cccc([O-])c1Cl	ZINC000151933255	544597345	/nfs/dbraw/zinc/59/73/45/544597345.db2.gz	HCWVBUKFXZBWDY-JTQLQIEISA-O	-1	3	367.882	2.394	20	30		FEEDHM
CC(C)(C)[N-]S(=O)(=O)c1cc(NC(=O)c2ccc(C#N)[nH]2)ccc1F	ZINC000154481913	544911916	/nfs/dbraw/zinc/91/19/16/544911916.db2.gz	KWPVOXDLFPJOGV-UHFFFAOYSA-N	-1	3	364.402	2.355	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)[C@@H]1CCCc2c1cnn2C	ZINC000154548522	544920860	/nfs/dbraw/zinc/92/08/60/544920860.db2.gz	HDMRCRDPWICEJH-QGZVFWFLSA-N	-1	3	367.453	2.066	20	30		FEEDHM
Cc1nn(C)c(C)c1CC[N-]S(=O)(=O)c1ccc(C#N)cc1Cl	ZINC000183480310	327820446	/nfs/dbraw/zinc/82/04/46/327820446.db2.gz	FVYFTTIMEYSUEP-UHFFFAOYSA-N	-1	3	352.847	2.083	20	30		FEEDHM
COC(=O)c1cc(C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)oc1C	ZINC000186258451	327954004	/nfs/dbraw/zinc/95/40/04/327954004.db2.gz	LXWYAMXETSJFLY-UHFFFAOYSA-N	-1	3	368.798	2.378	20	30		FEEDHM
N#Cc1ccc(C(=O)Nc2ccc(CCN3CCOCC3)cc2)cc1[O-]	ZINC000190933667	328241084	/nfs/dbraw/zinc/24/10/84/328241084.db2.gz	ITOJMRUQWOPPPA-UHFFFAOYSA-N	-1	3	351.406	2.391	20	30		FEEDHM
N#Cc1c(CN2CCN(C(=O)c3cccc([O-])c3)CC2)cn2ccccc12	ZINC000081011840	325153437	/nfs/dbraw/zinc/15/34/37/325153437.db2.gz	DENBBRDKDQRJMH-UHFFFAOYSA-N	-1	3	360.417	2.475	20	30		FEEDHM
N#Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)c1	ZINC000088547235	325296516	/nfs/dbraw/zinc/29/65/16/325296516.db2.gz	RMCVYELISFIZRI-UHFFFAOYSA-N	-1	3	361.810	2.298	20	30		FEEDHM
Cc1cn2c(n1)CC[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)C2	ZINC000090167932	325355592	/nfs/dbraw/zinc/35/55/92/325355592.db2.gz	ZQJVFVSEBZQJGW-NSHDSACASA-N	-1	3	350.831	2.010	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1CCOc2ccccc21	ZINC000108744243	325649685	/nfs/dbraw/zinc/64/96/85/325649685.db2.gz	HBEXUHVRDHZRAT-HNNXBMFYSA-N	-1	3	365.433	2.479	20	30		FEEDHM
Cn1cc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc(Cl)c1=O	ZINC000118948383	326112347	/nfs/dbraw/zinc/11/23/47/326112347.db2.gz	AMFCNAXJGHJPDU-UHFFFAOYSA-N	-1	3	358.206	2.365	20	30		FEEDHM
Cc1nn(C)c(C)c1CC[N-]S(=O)(=O)c1cccc(Cl)c1C#N	ZINC000178508968	327589560	/nfs/dbraw/zinc/58/95/60/327589560.db2.gz	RRLYNYIGECMIKK-UHFFFAOYSA-N	-1	3	352.847	2.083	20	30		FEEDHM
COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C	ZINC000253586924	328800124	/nfs/dbraw/zinc/80/01/24/328800124.db2.gz	BWWBUAUSUWKTOV-YEWWUXTCSA-N	-1	3	371.437	2.008	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCN(c3ncccc3Cl)C2)s1	ZINC000367171174	330225531	/nfs/dbraw/zinc/22/55/31/330225531.db2.gz	DZRYMOKEMWHRMH-SNVBAGLBSA-N	-1	3	368.871	2.225	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCc2cccc(O)c21	ZINC000155553928	545541112	/nfs/dbraw/zinc/54/11/12/545541112.db2.gz	FRSJSPUBDMRHKS-UHFFFAOYSA-N	-1	3	351.406	2.481	20	30		FEEDHM
N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@H](CO)Cc1c[nH]c2ccccc12	ZINC000161242782	546113190	/nfs/dbraw/zinc/11/31/90/546113190.db2.gz	OZCUKEOAZRYULR-HNNXBMFYSA-N	-1	3	373.409	2.061	20	30		FEEDHM
C=C(C)CN(CC)C(=O)CS(=O)(=O)c1nnc(CCC2CCCC2)[n-]1	ZINC000171770165	546224578	/nfs/dbraw/zinc/22/45/78/546224578.db2.gz	UFLSISCDNLPPSD-UHFFFAOYSA-N	-1	3	368.503	2.126	20	30		FEEDHM
C=C(C)CN(CC)C(=O)CS(=O)(=O)c1nc(CCC2CCCC2)n[n-]1	ZINC000171770165	546224580	/nfs/dbraw/zinc/22/45/80/546224580.db2.gz	UFLSISCDNLPPSD-UHFFFAOYSA-N	-1	3	368.503	2.126	20	30		FEEDHM
Cc1ccnc([C@H]([N-]S(=O)(=O)Cc2ccc(C#N)cc2F)C2CC2)n1	ZINC000480726926	561215280	/nfs/dbraw/zinc/21/52/80/561215280.db2.gz	BOILXFUHWKBUQZ-MRXNPFEDSA-N	-1	3	360.414	2.367	20	30		FEEDHM
C[C@](O)(C[N-]S(=O)(=O)Cc1ccc(C#N)cc1F)C1CCCCC1	ZINC000480851121	561218197	/nfs/dbraw/zinc/21/81/97/561218197.db2.gz	IGPJLYRLAVVSES-KRWDZBQOSA-N	-1	3	354.447	2.448	20	30		FEEDHM
C=CCOC[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)OC	ZINC000481604012	561237134	/nfs/dbraw/zinc/23/71/34/561237134.db2.gz	JXVDBQDLUJXECJ-GFCCVEGCSA-N	-1	3	368.238	2.016	20	30		FEEDHM
CN(C)S(=O)(=O)c1cc(C(=O)[N-]c2sc3c(c2C#N)CCC3)co1	ZINC000179360936	546940614	/nfs/dbraw/zinc/94/06/14/546940614.db2.gz	KXZBHNFAHRYLQK-UHFFFAOYSA-N	-1	3	365.436	2.204	20	30		FEEDHM
Cc1nn(C)c(C)c1CCC[N-]S(=O)(=O)c1ccc(Cl)cc1C#N	ZINC000181503713	547324778	/nfs/dbraw/zinc/32/47/78/547324778.db2.gz	BENIZFVGBNPQTJ-UHFFFAOYSA-N	-1	3	366.874	2.473	20	30		FEEDHM
COc1cccc2c1CCN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C2	ZINC000182744605	547545504	/nfs/dbraw/zinc/54/55/04/547545504.db2.gz	REWDTCRODUFLAM-UHFFFAOYSA-N	-1	3	365.433	2.390	20	30		FEEDHM
Cc1ccc(C(=O)NCCC(=O)N(CCC#N)Cc2cccnc2)c([O-])c1	ZINC000183497804	547671405	/nfs/dbraw/zinc/67/14/05/547671405.db2.gz	HRYXEJVUVVWOJA-UHFFFAOYSA-N	-1	3	366.421	2.158	20	30		FEEDHM
C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(C(C)(C)C#N)cc2)cn1	ZINC000184775314	547878247	/nfs/dbraw/zinc/87/82/47/547878247.db2.gz	LMHCPCZQDDKBDE-UHFFFAOYSA-N	-1	3	358.423	2.043	20	30		FEEDHM
CSC1(C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)CCOCC1	ZINC000184936628	547903376	/nfs/dbraw/zinc/90/33/76/547903376.db2.gz	VZPLPHAQZLZGID-UHFFFAOYSA-N	-1	3	360.888	2.402	20	30		FEEDHM
Cc1nn(C)c(C)c1CCC[N-]S(=O)(=O)c1cc(C#N)ccc1Cl	ZINC000185677031	548018231	/nfs/dbraw/zinc/01/82/31/548018231.db2.gz	TYKRKUGURARQLZ-UHFFFAOYSA-N	-1	3	366.874	2.473	20	30		FEEDHM
Cc1csc([C@H](C)CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)n1	ZINC000186070804	548080203	/nfs/dbraw/zinc/08/02/03/548080203.db2.gz	STTVEBYLQRQPNX-SNVBAGLBSA-N	-1	3	358.467	2.481	20	30		FEEDHM
C[C@@H](C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1	ZINC000188099438	548271976	/nfs/dbraw/zinc/27/19/76/548271976.db2.gz	SPLDMOMZCBQLCI-AAEUAGOBSA-N	-1	3	358.847	2.478	20	30		FEEDHM
CCc1ccc([C@@H](C#N)NC(=O)c2cncc([N-]S(C)(=O)=O)c2)cc1	ZINC000489953542	561423151	/nfs/dbraw/zinc/42/31/51/561423151.db2.gz	JFVBLMPANRMFLX-MRXNPFEDSA-N	-1	3	358.423	2.010	20	30		FEEDHM
C=CCCC(=O)Nc1c(NCc2ccccc2)c(=O)[n-]c(=O)n1CCOC	ZINC000263772165	549934490	/nfs/dbraw/zinc/93/44/90/549934490.db2.gz	FTBYGVMLHYZCPZ-UHFFFAOYSA-N	-1	3	372.425	2.112	20	30		FEEDHM
Cc1ncc(CO)c(/C=N/[C@H](C)CN2CCN(c3ccccc3)CC2)c1[O-]	ZINC000266011441	550016054	/nfs/dbraw/zinc/01/60/54/550016054.db2.gz	RFBWHYXKHGEFMS-QLPFJNHISA-N	-1	3	368.481	2.218	20	30		FEEDHM
C=CCN(C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)C1CC1	ZINC000272519210	550455147	/nfs/dbraw/zinc/45/51/47/550455147.db2.gz	YDPLYMYYXFSPOH-UHFFFAOYSA-N	-1	3	353.419	2.449	20	30		FEEDHM
C[C@@H]1CCC[C@](C#N)([N-]S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)C1	ZINC000274760049	550552585	/nfs/dbraw/zinc/55/25/85/550552585.db2.gz	QRNKQVPSBAARME-DIFFPNOSSA-N	-1	3	365.430	2.461	20	30		FEEDHM
N#CCCC[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1	ZINC000275126911	550570756	/nfs/dbraw/zinc/57/07/56/550570756.db2.gz	BCFCWKIDZRRKKH-GFCCVEGCSA-N	-1	3	358.847	2.337	20	30		FEEDHM
C=CCCN(C)C(=O)[C@@H](C)[N-]S(=O)(=O)c1ccccc1C(F)(F)F	ZINC000276440734	550578571	/nfs/dbraw/zinc/57/85/71/550578571.db2.gz	SQZCQZKCYXXGGP-LLVKDONJSA-N	-1	3	364.389	2.407	20	30		FEEDHM
COc1ccc([C@H](OC)[C@H](C)[N-]S(=O)(=O)c2cccnc2C#N)cc1	ZINC000276937664	550613147	/nfs/dbraw/zinc/61/31/47/550613147.db2.gz	AKTLRDWPZSZMIW-YVEFUNNKSA-N	-1	3	361.423	2.016	20	30		FEEDHM
CC[C@@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2ccc(F)cc2C#N)n[nH]1	ZINC000277021610	550622912	/nfs/dbraw/zinc/62/29/12/550622912.db2.gz	WUWZNSNIJLBFFD-ZJUUUORDSA-N	-1	3	351.407	2.368	20	30		FEEDHM
C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[N-]S(=O)(=O)c1cccnc1C#N	ZINC000277189903	550641486	/nfs/dbraw/zinc/64/14/86/550641486.db2.gz	OMFYDPVRJGKJOE-RDJZCZTQSA-N	-1	3	370.478	2.142	20	30		FEEDHM
C[C@H]1C[C@H]([N-]S(=O)(=O)c2cccnc2C#N)CCN1Cc1ccccc1	ZINC000277254499	550648290	/nfs/dbraw/zinc/64/82/90/550648290.db2.gz	VZNAKJHWNVAILP-DOTOQJQBSA-N	-1	3	370.478	2.285	20	30		FEEDHM
N#Cc1ccccc1N1CCCN(C(=O)c2cc(F)cc3[n-]nnc32)CC1	ZINC000277625824	550693841	/nfs/dbraw/zinc/69/38/41/550693841.db2.gz	IWDBFQXSQNWKOP-UHFFFAOYSA-N	-1	3	364.384	2.321	20	30		FEEDHM
N#Cc1ccccc1N1CCCN(C(=O)c2cc(F)cc3nn[n-]c32)CC1	ZINC000277625824	550693842	/nfs/dbraw/zinc/69/38/42/550693842.db2.gz	IWDBFQXSQNWKOP-UHFFFAOYSA-N	-1	3	364.384	2.321	20	30		FEEDHM
N#Cc1ccccc1N1CCCN(C(=O)c2cc(F)cc3n[n-]nc32)CC1	ZINC000277625824	550693844	/nfs/dbraw/zinc/69/38/44/550693844.db2.gz	IWDBFQXSQNWKOP-UHFFFAOYSA-N	-1	3	364.384	2.321	20	30		FEEDHM
CCOC(=O)c1nnc(C2CCN(Cc3cc(F)ccc3C#N)CC2)[n-]1	ZINC000277658940	550697858	/nfs/dbraw/zinc/69/78/58/550697858.db2.gz	DPVBRCIRJJNZQP-UHFFFAOYSA-N	-1	3	357.389	2.372	20	30		FEEDHM
CCOC(=O)c1nc(C2CCN(Cc3cc(F)ccc3C#N)CC2)n[n-]1	ZINC000277658940	550697859	/nfs/dbraw/zinc/69/78/59/550697859.db2.gz	DPVBRCIRJJNZQP-UHFFFAOYSA-N	-1	3	357.389	2.372	20	30		FEEDHM
CCOC(=O)c1n[n-]c(C2CCN(Cc3cc(F)ccc3C#N)CC2)n1	ZINC000277658940	550697861	/nfs/dbraw/zinc/69/78/61/550697861.db2.gz	DPVBRCIRJJNZQP-UHFFFAOYSA-N	-1	3	357.389	2.372	20	30		FEEDHM
C=CCN1CC[C@@H](N(C)Cc2cc(=O)oc3cc([O-])c(CC)cc23)C1=O	ZINC000281321484	551084363	/nfs/dbraw/zinc/08/43/63/551084363.db2.gz	LFFMFUSNXPXUKY-MRXNPFEDSA-N	-1	3	356.422	2.280	20	30		FEEDHM
C=CCN(CC(F)(F)F)C(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-]	ZINC000282984056	551293333	/nfs/dbraw/zinc/29/33/33/551293333.db2.gz	JKUOREMHSFOECW-UHFFFAOYSA-N	-1	3	371.290	2.064	20	30		FEEDHM
C=CCN(CC(F)(F)F)C(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O	ZINC000282984056	551293335	/nfs/dbraw/zinc/29/33/35/551293335.db2.gz	JKUOREMHSFOECW-UHFFFAOYSA-N	-1	3	371.290	2.064	20	30		FEEDHM
COCCCn1nccc1/C=C/C(=O)c1ccc([N-]S(C)(=O)=O)cc1	ZINC000283031827	551300416	/nfs/dbraw/zinc/30/04/16/551300416.db2.gz	PNXWZLFTMGTGIB-CMDGGOBGSA-N	-1	3	363.439	2.187	20	30		FEEDHM
C=CCCC[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)N(C)C)c1OC	ZINC000284775176	551629924	/nfs/dbraw/zinc/62/99/24/551629924.db2.gz	WJLYOASLRGFCLM-UHFFFAOYSA-N	-1	3	360.863	2.295	20	30		FEEDHM
COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@](C)(C#N)CSC	ZINC000285166921	551714437	/nfs/dbraw/zinc/71/44/37/551714437.db2.gz	SWBXMEBFEXLWPN-ZDUSSCGKSA-N	-1	3	362.860	2.050	20	30		FEEDHM
Cc1nc([C@H](C)[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)n[nH]1	ZINC000285479456	551763121	/nfs/dbraw/zinc/76/31/21/551763121.db2.gz	VSXJUROEIJUZSM-ZETCQYMHSA-N	-1	3	359.333	2.043	20	30		FEEDHM
C=CCN(C(=O)C[N-]S(=O)(=O)c1ccccc1C(F)(F)F)C1CC1	ZINC000290256913	552449516	/nfs/dbraw/zinc/44/95/16/552449516.db2.gz	AFELTRYABRMYFY-UHFFFAOYSA-N	-1	3	362.373	2.161	20	30		FEEDHM
CC(C)(C)OCc1cc(C[N-]S(=O)(=O)c2ccc(C#N)c(F)c2)no1	ZINC000292579082	552740228	/nfs/dbraw/zinc/74/02/28/552740228.db2.gz	LVCBKZRLGNTPTM-UHFFFAOYSA-N	-1	3	367.402	2.479	20	30		FEEDHM
COc1c([O-])c(CN2CC[C@H](Oc3ccc(C#N)cn3)C2)ccc1[N+](=O)[O-]	ZINC000292800133	552759630	/nfs/dbraw/zinc/75/96/30/552759630.db2.gz	NMAPYTVOIPWFJS-AWEZNQCLSA-N	-1	3	370.365	2.229	20	30		FEEDHM
CO[C@H](C[N-]S(=O)(=O)c1cccc(Br)c1C#N)C1CC1	ZINC000293875403	552864631	/nfs/dbraw/zinc/86/46/31/552864631.db2.gz	SYAIVEUYKCELNH-GFCCVEGCSA-N	-1	3	359.245	2.024	20	30		FEEDHM
C=CCC(F)(F)C(=O)[N-][C@](C)(CNC(=O)C(F)(F)CC=C)COC	ZINC000294340205	552898386	/nfs/dbraw/zinc/89/83/86/552898386.db2.gz	PJKLYVTXVBMFFZ-CYBMUJFWSA-N	-1	3	354.344	2.047	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCN(C2CC2)C[C@H](C)C1	ZINC000295413460	553002496	/nfs/dbraw/zinc/00/24/96/553002496.db2.gz	SPCFUGONQGQTRG-ZDUSSCGKSA-N	-1	3	356.470	2.151	20	30		FEEDHM
CC[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)[C@@H](O)C(F)F	ZINC000295732785	553051633	/nfs/dbraw/zinc/05/16/33/553051633.db2.gz	MTGRYVYXEDZWER-GXSJLCMTSA-N	-1	3	372.315	2.260	20	30		FEEDHM
CS(=O)(=O)[N-]c1cncc(C(=O)N(Cc2ccc(C#N)cc2)C2CC2)c1	ZINC000502235057	561614894	/nfs/dbraw/zinc/61/48/94/561614894.db2.gz	GPCPDNKQYFIMNV-UHFFFAOYSA-N	-1	3	370.434	2.130	20	30		FEEDHM
CS(=O)(=O)[N-]c1cncc(C(=O)N[C@H](C#N)c2ccccc2Cl)c1	ZINC000503350921	561639903	/nfs/dbraw/zinc/63/99/03/561639903.db2.gz	ZRIJEKYMOJQEQT-CQSZACIVSA-N	-1	3	364.814	2.101	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1cn2ccsc2n1	ZINC000298293769	553409161	/nfs/dbraw/zinc/40/91/61/553409161.db2.gz	ZYZLKOGSLPRMCI-UHFFFAOYSA-N	-1	3	355.423	2.234	20	30		FEEDHM
Cc1ccc(NCC[N-]S(=O)(=O)c2ccc(Cl)s2)nc1C#N	ZINC000302637991	553723465	/nfs/dbraw/zinc/72/34/65/553723465.db2.gz	KOETUAGSBBBKIO-UHFFFAOYSA-N	-1	3	356.860	2.367	20	30		FEEDHM
Cn1cnc(S(=O)(=O)[N-]CC(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c1	ZINC000329184538	553897661	/nfs/dbraw/zinc/89/76/61/553897661.db2.gz	OIWABAOBASUHCR-BFHYXJOUSA-N	-1	3	354.476	2.014	20	30		FEEDHM
C[C@@H]1C[C@H](CNC(=O)N2CCC[C@@H]2C[C@@]2(C)NC(=O)[N-]C2=O)CCO1	ZINC000329510435	553960013	/nfs/dbraw/zinc/96/00/13/553960013.db2.gz	BRVMLHYRYLJTJK-HPTBWKMGSA-N	-1	3	352.435	2.213	20	30		FEEDHM
C[C@H](NC(=O)N1CCC[C@@H]1C[C@]1(C)NC(=O)[N-]C1=O)[C@H]1CCCOC1	ZINC000329525516	553962321	/nfs/dbraw/zinc/96/23/21/553962321.db2.gz	HDJSSMNJABCCBS-JRATXPSKSA-N	-1	3	352.435	2.213	20	30		FEEDHM
CSc1nc(=NC(=O)NCC2(N3CCSCC3)CCCC2)s[n-]1	ZINC000330013318	554049808	/nfs/dbraw/zinc/04/98/08/554049808.db2.gz	LZHNSSDGJCCRAZ-UHFFFAOYSA-N	-1	3	373.573	2.369	20	30		FEEDHM
CCn1c(=O)[n-]c(=O)c2c(C(=O)NC[C@H]3CCCC3=O)cc(C3CC3)nc21	ZINC000330041328	554053398	/nfs/dbraw/zinc/05/33/98/554053398.db2.gz	CXTVWDUNUMGYLE-LLVKDONJSA-N	-1	3	370.409	2.068	20	30		FEEDHM
O=C(Nc1cccc(C(=O)N2CCc3nc[n-]c(=O)c3C2)c1)[C@H]1CCCO1	ZINC000330098726	554064037	/nfs/dbraw/zinc/06/40/37/554064037.db2.gz	ZEGNXGCNDOGYMH-MRXNPFEDSA-N	-1	3	368.393	2.148	20	30		FEEDHM
C[C@]1(c2cccc(C(=O)N[C@H]3CCCn4ncnc43)c2)NC(=O)[N-]C1=O	ZINC000330223922	554088149	/nfs/dbraw/zinc/08/81/49/554088149.db2.gz	NHUYVQVDUJWCKE-YVEFUNNKSA-N	-1	3	354.370	2.217	20	30		FEEDHM
COCC[C@@](C)(C#N)[N-]S(=O)(=O)c1ccc(F)cc1Br	ZINC000508069753	561750175	/nfs/dbraw/zinc/75/01/75/561750175.db2.gz	SJYYVDPLYFCBPR-LBPRGKRZSA-N	-1	3	365.224	2.185	20	30		FEEDHM
N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@H]1CCC[C@H]1C#N	ZINC000330667859	554154003	/nfs/dbraw/zinc/15/40/03/554154003.db2.gz	JIAOBMCCHMUGDF-CABZTGNLSA-N	-1	3	354.229	2.291	20	30		FEEDHM
C[C@H](CC#N)N(C)S(=O)(=O)[N-][C@@H](CO)c1c(Cl)cccc1Cl	ZINC000509262831	561792700	/nfs/dbraw/zinc/79/27/00/561792700.db2.gz	IQPCNXYAUOQJEY-SKDRFNHKSA-N	-1	3	366.270	2.095	20	30		FEEDHM
CC(C)(C[N-]S(=O)(=O)c1cccnc1C#N)Oc1cc(F)cc(F)c1	ZINC000509634314	561808264	/nfs/dbraw/zinc/80/82/64/561808264.db2.gz	OQVRELFEYAVQCL-UHFFFAOYSA-N	-1	3	367.377	2.367	20	30		FEEDHM
CCN(C[C@@H](C)C#N)C(=O)c1cc(C2CC2)nc2c1c(=O)[n-]c(=O)n2CC	ZINC000509712248	561811248	/nfs/dbraw/zinc/81/12/48/561811248.db2.gz	CXXPRZGJFRGSEO-NSHDSACASA-N	-1	3	369.425	2.016	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]Cc2cn3c(n2)CCCC3)c(Cl)c1	ZINC000332338577	554428367	/nfs/dbraw/zinc/42/83/67/554428367.db2.gz	RNVFFXQPTGAVDL-UHFFFAOYSA-N	-1	3	350.831	2.223	20	30		FEEDHM
CCN(CC)[C@@H](CNC(=O)N=c1[n-]n(C)cc1C#N)Cc1ccccc1	ZINC000610563721	554529995	/nfs/dbraw/zinc/52/99/95/554529995.db2.gz	KGLRUGJHIUEHLC-QGZVFWFLSA-N	-1	3	354.458	2.366	20	30		FEEDHM
N#Cc1ccc(Br)cc1S(=O)(=O)[N-][C@H]1CC12CCOCC2	ZINC000333213161	554589687	/nfs/dbraw/zinc/58/96/87/554589687.db2.gz	UYQDZSYMISNQTB-ZDUSSCGKSA-N	-1	3	371.256	2.168	20	30		FEEDHM
C[C@@]1(c2ccc(-c3noc(CCCCCC#N)n3)cc2)NC(=O)[N-]C1=O	ZINC000349896752	554748296	/nfs/dbraw/zinc/74/82/96/554748296.db2.gz	JGHCQKLLGYPPKA-SFHVURJKSA-N	-1	3	353.382	2.418	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCOC[C@H]1c1cccn1C	ZINC000364043310	555239455	/nfs/dbraw/zinc/23/94/55/555239455.db2.gz	RQUQJIFRHAUBQK-SFHVURJKSA-N	-1	3	368.437	2.147	20	30		FEEDHM
N#Cc1ccc(-n2ccc(NC(=O)c3n[n-]nc3-c3ccccc3)n2)c(F)c1	ZINC000366627941	555894594	/nfs/dbraw/zinc/89/45/94/555894594.db2.gz	WRMZHAORCCSFAS-UHFFFAOYSA-N	-1	3	373.351	2.920	20	30		FEEDHM
C=CCn1c(SCC(=O)Nc2ccccc2[O-])nnc1-c1cnccn1	ZINC000514117356	561960825	/nfs/dbraw/zinc/96/08/25/561960825.db2.gz	VFTBBQGEQNRENR-UHFFFAOYSA-N	-1	3	368.422	2.358	20	30		FEEDHM
Cn1ccnc1[C@@H]([N-]S(=O)(=O)c1ccc(C#N)o1)c1ccccc1F	ZINC000367807057	556143754	/nfs/dbraw/zinc/14/37/54/556143754.db2.gz	SBPVHINPZNPKMJ-HNNXBMFYSA-N	-1	3	360.370	2.092	20	30		FEEDHM
C=C[C@](C)(CCOC)C(=O)NC1CCN(C(=O)c2cccc([O-])c2)CC1	ZINC000372640912	557527905	/nfs/dbraw/zinc/52/79/05/557527905.db2.gz	RWDZYQZLNCQWTQ-HXUWFJFHSA-N	-1	3	360.454	2.342	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H](C3CC3)C2)ccc1F	ZINC000374293159	557859782	/nfs/dbraw/zinc/85/97/82/557859782.db2.gz	GRHTZQVTMFIBIX-CQSZACIVSA-N	-1	3	352.431	2.162	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)N(C)[C@@H](C)CC#N)c1nc(-c2ccc(F)cc2)no1	ZINC000374547906	557898067	/nfs/dbraw/zinc/89/80/67/557898067.db2.gz	DUQHODRIHVRLHQ-QWRGUYRKSA-N	-1	3	367.406	2.005	20	30		FEEDHM
Cc1oc(-c2ccccc2)nc1CC[N-]S(=O)(=O)c1cccnc1C#N	ZINC000375436500	558027095	/nfs/dbraw/zinc/02/70/95/558027095.db2.gz	GSWIPKKKIUSMHW-UHFFFAOYSA-N	-1	3	368.418	2.438	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]CC2CC[NH+](CCc3ccccc3)CC2)o1	ZINC000376277409	558151314	/nfs/dbraw/zinc/15/13/14/558151314.db2.gz	ZJFUJUZLFVYWFU-UHFFFAOYSA-N	-1	3	373.478	2.384	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]CC2CCN(CCc3ccccc3)CC2)o1	ZINC000376277409	558151315	/nfs/dbraw/zinc/15/13/15/558151315.db2.gz	ZJFUJUZLFVYWFU-UHFFFAOYSA-N	-1	3	373.478	2.384	20	30		FEEDHM
C#CCCCS(=O)(=O)[N-][C@@H]1CCCN(c2ccccc2Cl)C1=O	ZINC000376365180	558163547	/nfs/dbraw/zinc/16/35/47/558163547.db2.gz	LWMCGDGJHZTNOC-CQSZACIVSA-N	-1	3	354.859	2.168	20	30		FEEDHM
Cc1ccc2[n-]cc(C(=O)N3CCN(c4ccc(C#N)nc4)CC3)c(=O)c2c1	ZINC000376467901	558177069	/nfs/dbraw/zinc/17/70/69/558177069.db2.gz	QRNOTXKCLCJFKK-UHFFFAOYSA-N	-1	3	373.416	2.066	20	30		FEEDHM
CC[C@@H]1CN(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C[C@]2(CCOC2)O1	ZINC000377273265	558303466	/nfs/dbraw/zinc/30/34/66/558303466.db2.gz	LWIINJOOJNJXJR-QRWLVFNGSA-N	-1	3	373.453	2.005	20	30		FEEDHM
CCOc1ccc(C#N)cc1NC(=O)C(=O)NCc1ccc([O-])c(F)c1	ZINC000523468759	562213710	/nfs/dbraw/zinc/21/37/10/562213710.db2.gz	WCNZDPLTTXHUIN-UHFFFAOYSA-N	-1	3	357.341	2.057	20	30		FEEDHM
COc1cccc([C@@H](C[N-]S(=O)(=O)c2ccc(C#N)s2)N(C)C)c1	ZINC000392245335	558616804	/nfs/dbraw/zinc/61/68/04/558616804.db2.gz	CXGYTZKPPIGODH-OAHLLOKOSA-N	-1	3	365.480	2.210	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]CCCN2CCc3ccccc32)c(F)c1	ZINC000524148932	562224651	/nfs/dbraw/zinc/22/46/51/562224651.db2.gz	SXYCUQHKEJICBD-UHFFFAOYSA-N	-1	3	359.426	2.428	20	30		FEEDHM
C=CC[C@@H](Cc1ccccc1)NC(=O)c1cc(S(=O)(=O)[N-]C)oc1C	ZINC000412845146	559058644	/nfs/dbraw/zinc/05/86/44/559058644.db2.gz	VHAILGHXROWEFO-HNNXBMFYSA-N	-1	3	362.451	2.413	20	30		FEEDHM
CCCCOCC[N-]S(=O)(=O)c1cc(Br)ccc1C#N	ZINC000416395984	559309936	/nfs/dbraw/zinc/30/99/36/559309936.db2.gz	YRLPGXJFRZUSHB-UHFFFAOYSA-N	-1	3	361.261	2.416	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1C#N)[C@H]1CCOC1	ZINC000416408376	559310755	/nfs/dbraw/zinc/31/07/55/559310755.db2.gz	PPIYBQINMQVJHL-ONGXEEELSA-N	-1	3	359.245	2.024	20	30		FEEDHM
N#Cc1ccc(Br)cc1S(=O)(=O)[N-][C@@H](CO)CC1CCC1	ZINC000416530911	559320102	/nfs/dbraw/zinc/32/01/02/559320102.db2.gz	UAPAKXHZOJMVQS-CYBMUJFWSA-N	-1	3	373.272	2.150	20	30		FEEDHM
CC(C)(C)c1nc(C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)n[nH]1	ZINC000416549335	559321184	/nfs/dbraw/zinc/32/11/84/559321184.db2.gz	YKYXJLWINQLGCE-UHFFFAOYSA-N	-1	3	353.835	2.106	20	30		FEEDHM
C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cccc(Br)c1F	ZINC000425178579	559689689	/nfs/dbraw/zinc/68/96/89/559689689.db2.gz	LXBRTSXWDQCWDP-ONGXEEELSA-N	-1	3	364.236	2.458	20	30		FEEDHM
C=CCn1cc(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C)nn1	ZINC000425178617	559689720	/nfs/dbraw/zinc/68/97/20/559689720.db2.gz	MEQIHKCJBISPMB-UHFFFAOYSA-N	-1	3	360.361	2.270	20	30		FEEDHM
Cn1c2cc([O-])c(NC(=O)[C@H](C#N)CCc3ccccc3)cc2n(C)c1=O	ZINC000427872882	559764436	/nfs/dbraw/zinc/76/44/36/559764436.db2.gz	DMNPLTSFKNOJJU-AWEZNQCLSA-N	-1	3	364.405	2.294	20	30		FEEDHM
CC1(C)C[C@]1(C#N)NC(=O)Cc1csc(NC(=O)c2cccc([O-])c2)n1	ZINC000427886771	559764684	/nfs/dbraw/zinc/76/46/84/559764684.db2.gz	QOPYKHJLQFQUNH-GOSISDBHSA-N	-1	3	370.434	2.452	20	30		FEEDHM
C[C@H](C[N-]S(=O)(=O)c1cccnc1C#N)Oc1cccc(Cl)c1	ZINC000428370905	559774099	/nfs/dbraw/zinc/77/40/99/559774099.db2.gz	CFBPTGWKARXXKO-LLVKDONJSA-N	-1	3	351.815	2.352	20	30		FEEDHM
C=CCn1c(=O)[n-]nc1S(=O)(=O)Cc1nc(-c2ccccc2)oc1C	ZINC000429904785	559808232	/nfs/dbraw/zinc/80/82/32/559808232.db2.gz	SRWIIDAFRGRWHQ-UHFFFAOYSA-N	-1	3	360.395	2.107	20	30		FEEDHM
C[C@](CO)(C[N-]S(=O)(=O)c1ccc(C#N)s1)Cc1ccccc1	ZINC000435425246	559922480	/nfs/dbraw/zinc/92/24/80/559922480.db2.gz	CARSHVJCLUGLSR-MRXNPFEDSA-N	-1	3	350.465	2.139	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]C[C@H](CO)Cc2ccc(F)c(F)c2)s1	ZINC000435434887	559922994	/nfs/dbraw/zinc/92/29/94/559922994.db2.gz	VHGRYWGADJNOGT-LLVKDONJSA-N	-1	3	372.418	2.027	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1	ZINC000435596025	559925866	/nfs/dbraw/zinc/92/58/66/559925866.db2.gz	DYUHBPVXLMVHSO-JOYOIKCWSA-N	-1	3	353.325	2.205	20	30		FEEDHM
C=CCOC[C@@H](NC(=O)c1c[n-]nc1-c1ccc(Cl)s1)C(=O)OC	ZINC000435947293	559932848	/nfs/dbraw/zinc/93/28/48/559932848.db2.gz	DNHMPTJVOHTWFR-SNVBAGLBSA-N	-1	3	369.830	2.266	20	30		FEEDHM
N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc(O)cc2[O-])cc1	ZINC000436743530	559950567	/nfs/dbraw/zinc/95/05/67/559950567.db2.gz	HJHPHNKLCCUUSD-OAHLLOKOSA-N	-1	3	369.402	2.123	20	30		FEEDHM
N#CCc1cccc(C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)c1	ZINC000436947661	559957335	/nfs/dbraw/zinc/95/73/35/559957335.db2.gz	RNTASCWJZUIVJL-UHFFFAOYSA-N	-1	3	363.417	2.493	20	30		FEEDHM
C[C@@H](NCC[N-]S(=O)(=O)c1ccc(F)cc1F)c1ccc(C#N)cc1	ZINC000442097796	560043867	/nfs/dbraw/zinc/04/38/67/560043867.db2.gz	OTWHPKPVXUQWJF-GFCCVEGCSA-N	-1	3	365.405	2.466	20	30		FEEDHM
C=C[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1	ZINC000443197338	560074280	/nfs/dbraw/zinc/07/42/80/560074280.db2.gz	ADUSHFSSKCGBFD-SNVBAGLBSA-N	-1	3	353.835	2.249	20	30		FEEDHM
C=C[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1	ZINC000443197338	560074281	/nfs/dbraw/zinc/07/42/81/560074281.db2.gz	ADUSHFSSKCGBFD-SNVBAGLBSA-N	-1	3	353.835	2.249	20	30		FEEDHM
CO[C@@H](C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1ccccc1	ZINC000443314536	560079301	/nfs/dbraw/zinc/07/93/01/560079301.db2.gz	AZMONTZGGMIIFK-HNNXBMFYSA-N	-1	3	361.379	2.132	20	30		FEEDHM
COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(C#N)c(C)c1)c1ccc(OC)cc1	ZINC000443905957	560095615	/nfs/dbraw/zinc/09/56/15/560095615.db2.gz	YKMCRPGDIVCWGE-QGZVFWFLSA-N	-1	3	374.418	2.068	20	30		FEEDHM
C[C@@H]1C[C@]1(C#N)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1	ZINC000449978339	560246962	/nfs/dbraw/zinc/24/69/62/560246962.db2.gz	MKGPWCYJUJSXQQ-QLJPJBMISA-N	-1	3	353.419	2.391	20	30		FEEDHM
C=CCc1ccccc1OC[C@H](O)CN1CCC[C@H](c2n[n-]c(=O)o2)C1	ZINC000450911307	560278017	/nfs/dbraw/zinc/27/80/17/560278017.db2.gz	WQZDNRMRBRDJJT-JKSUJKDBSA-N	-1	3	359.426	2.123	20	30		FEEDHM
CC[C@@]([N-]S(=O)(=O)CC1(CC#N)CC1)(C(=O)OC)c1ccccc1	ZINC000451177779	560291544	/nfs/dbraw/zinc/29/15/44/560291544.db2.gz	XGXQMGVWNBQCBZ-KRWDZBQOSA-N	-1	3	350.440	2.078	20	30		FEEDHM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C[C@@H]1CCOC2(CCC2)C1	ZINC000451802495	560329568	/nfs/dbraw/zinc/32/95/68/560329568.db2.gz	ODZVBACGDWIYNH-GFCCVEGCSA-N	-1	3	365.411	2.094	20	30		FEEDHM
C=CCC[C@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)C(=O)OCC	ZINC000451989228	560342953	/nfs/dbraw/zinc/34/29/53/560342953.db2.gz	IHNSXMDFHYEKAZ-JTQLQIEISA-N	-1	3	366.361	2.277	20	30		FEEDHM
N#CCc1cccc(NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)c1	ZINC000455920289	560500329	/nfs/dbraw/zinc/50/03/29/560500329.db2.gz	NJJCKEKXOYVXDO-UHFFFAOYSA-N	-1	3	364.405	2.448	20	30		FEEDHM
C/C=C\C[C@@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C(=O)OCC	ZINC000463403814	560812919	/nfs/dbraw/zinc/81/29/19/560812919.db2.gz	ITWNVFSTNJDGOV-GMNBZTITSA-N	-1	3	359.426	2.222	20	30		FEEDHM
CC(C)O[C@H]1C[C@@H]([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1(C)C	ZINC000463846752	560826339	/nfs/dbraw/zinc/82/63/39/560826339.db2.gz	LYZHCKSHYLJGML-CABCVRRESA-N	-1	3	367.427	2.337	20	30		FEEDHM
C=C[C@@H](C)NC(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1	ZINC000465251896	560861429	/nfs/dbraw/zinc/86/14/29/560861429.db2.gz	BZPYFJWMRQSMDL-SECBINFHSA-N	-1	3	351.350	2.223	20	30		FEEDHM
Cc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)CCCC#N)n2)cc1F	ZINC000471886042	561013835	/nfs/dbraw/zinc/01/38/35/561013835.db2.gz	FJKDKHCWJYMCOQ-LLVKDONJSA-N	-1	3	352.391	2.468	20	30		FEEDHM
C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[N-]S(=O)(=O)c1cccc(Br)c1C#N	ZINC000528545432	562335298	/nfs/dbraw/zinc/33/52/98/562335298.db2.gz	XRAKEJRCHFCYRD-PUXPGTEJSA-N	-1	3	373.272	2.411	20	30		FEEDHM
Cc1nnc([C@H](C)[N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)o1	ZINC000531617253	562451848	/nfs/dbraw/zinc/45/18/48/562451848.db2.gz	HSZGGELHDPQFAO-ZETCQYMHSA-N	-1	3	360.317	2.308	20	30		FEEDHM
C=CCCOCCCCC(=O)Nc1cccc([C@]2(C)NC(=O)[N-]C2=O)c1	ZINC000537196386	562587555	/nfs/dbraw/zinc/58/75/55/562587555.db2.gz	MTULABSFKIGYHP-IBGZPJMESA-N	-1	3	359.426	2.443	20	30		FEEDHM
CN1CCC(n2cc([N-]S(=O)(=O)c3ccccc3CC#N)cn2)CC1	ZINC000601979126	567894767	/nfs/dbraw/zinc/89/47/67/567894767.db2.gz	GIAURNDLWINWOS-UHFFFAOYSA-N	-1	3	359.455	2.017	20	30		FEEDHM
N#C[C@@H](NC(=O)CNc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)cc1	ZINC000737676596	598826376	/nfs/dbraw/zinc/82/63/76/598826376.db2.gz	WVCBTDGQQKBDRF-OAHLLOKOSA-N	-1	3	367.800	2.313	20	30		FEEDHM
C=CCCOCC(=O)Nc1c(C)c(C)nn1-c1ccc(-c2nn[n-]n2)cc1	ZINC000735416417	598839245	/nfs/dbraw/zinc/83/92/45/598839245.db2.gz	JJZFRYWETCGMDC-UHFFFAOYSA-N	-1	3	367.413	2.200	20	30		FEEDHM
C#CCSCCNC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C	ZINC000735387597	598889958	/nfs/dbraw/zinc/88/99/58/598889958.db2.gz	AUOCFQRIRPGGLO-UHFFFAOYSA-N	-1	3	372.498	2.401	20	30		FEEDHM
C#CCSCCNC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C	ZINC000735387597	598889959	/nfs/dbraw/zinc/88/99/59/598889959.db2.gz	AUOCFQRIRPGGLO-UHFFFAOYSA-N	-1	3	372.498	2.401	20	30		FEEDHM
CC(C)n1ncc2cc(C(=O)Nc3ccc(C#N)c(-c4nnn[n-]4)c3)cnc21	ZINC000735964599	598916412	/nfs/dbraw/zinc/91/64/12/598916412.db2.gz	AEUOCXJQXBTJHE-UHFFFAOYSA-N	-1	3	373.380	2.316	20	30		FEEDHM
CC(C)n1ncc2cc(C(=O)Nc3ccc(C#N)c(-c4nn[n-]n4)c3)cnc21	ZINC000735964599	598916413	/nfs/dbraw/zinc/91/64/13/598916413.db2.gz	AEUOCXJQXBTJHE-UHFFFAOYSA-N	-1	3	373.380	2.316	20	30		FEEDHM
Cc1cc(C#N)ccc1OS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C	ZINC000737231335	599002411	/nfs/dbraw/zinc/00/24/11/599002411.db2.gz	OELGSVBKTDFJTQ-UHFFFAOYSA-N	-1	3	355.379	2.123	20	30		FEEDHM
Cc1cc(C#N)ccc1OS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C	ZINC000737231335	599002413	/nfs/dbraw/zinc/00/24/13/599002413.db2.gz	OELGSVBKTDFJTQ-UHFFFAOYSA-N	-1	3	355.379	2.123	20	30		FEEDHM
C=CC[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C)c1ccncc1	ZINC000735410169	599004353	/nfs/dbraw/zinc/00/43/53/599004353.db2.gz	WFNRDSFCXLLWBA-HNNXBMFYSA-N	-1	3	370.438	2.166	20	30		FEEDHM
C=CC[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C)c1ccncc1	ZINC000735410169	599004355	/nfs/dbraw/zinc/00/43/55/599004355.db2.gz	WFNRDSFCXLLWBA-HNNXBMFYSA-N	-1	3	370.438	2.166	20	30		FEEDHM
C#CCOc1ccc(F)cc1NC(=O)Cc1ccc(-c2nnn[n-]2)cc1	ZINC000735380718	599094767	/nfs/dbraw/zinc/09/47/67/599094767.db2.gz	LQPXIQXNHCZYTF-UHFFFAOYSA-N	-1	3	351.341	2.199	20	30		FEEDHM
C#CCOc1ccc(F)cc1NC(=O)Cc1ccc(-c2nn[n-]n2)cc1	ZINC000735380718	599094770	/nfs/dbraw/zinc/09/47/70/599094770.db2.gz	LQPXIQXNHCZYTF-UHFFFAOYSA-N	-1	3	351.341	2.199	20	30		FEEDHM
COc1ccc(C=NNC(=S)N[C@H]2CCCC[C@@H]2C)cc1-c1nnn[n-]1	ZINC000737082438	599126067	/nfs/dbraw/zinc/12/60/67/599126067.db2.gz	VEGCTBGLYYCQBU-FZMZJTMJSA-N	-1	3	373.486	2.252	20	30		FEEDHM
COc1ccc(C=NNC(=S)N[C@H]2CCCC[C@@H]2C)cc1-c1nn[n-]n1	ZINC000737082438	599126068	/nfs/dbraw/zinc/12/60/68/599126068.db2.gz	VEGCTBGLYYCQBU-FZMZJTMJSA-N	-1	3	373.486	2.252	20	30		FEEDHM
COc1ccc(C=NNCCCOc2ccccc2)cc1-c1nnn[n-]1	ZINC000737082698	599129281	/nfs/dbraw/zinc/12/92/81/599129281.db2.gz	YGJTYLLDOPPNCC-UHFFFAOYSA-N	-1	3	352.398	2.268	20	30		FEEDHM
COc1ccc(C=NNCCCOc2ccccc2)cc1-c1nn[n-]n1	ZINC000737082698	599129284	/nfs/dbraw/zinc/12/92/84/599129284.db2.gz	YGJTYLLDOPPNCC-UHFFFAOYSA-N	-1	3	352.398	2.268	20	30		FEEDHM
CN(C)c1ccc(CCC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1	ZINC000736774853	599197265	/nfs/dbraw/zinc/19/72/65/599197265.db2.gz	ZFMPFCAFLCBRPV-UHFFFAOYSA-N	-1	3	361.409	2.376	20	30		FEEDHM
CN(C)c1ccc(CCC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1	ZINC000736774853	599197267	/nfs/dbraw/zinc/19/72/67/599197267.db2.gz	ZFMPFCAFLCBRPV-UHFFFAOYSA-N	-1	3	361.409	2.376	20	30		FEEDHM
Cc1ccnn1-c1ccc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1	ZINC000737443753	599197663	/nfs/dbraw/zinc/19/76/63/599197663.db2.gz	JRVAPVWESWWSLF-UHFFFAOYSA-N	-1	3	370.376	2.485	20	30		FEEDHM
Cc1ccnn1-c1ccc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1	ZINC000737443753	599197665	/nfs/dbraw/zinc/19/76/65/599197665.db2.gz	JRVAPVWESWWSLF-UHFFFAOYSA-N	-1	3	370.376	2.485	20	30		FEEDHM
Cn1cc(-c2cccc(C(=O)Nc3ccc(C#N)c(-c4nnn[n-]4)c3)c2)cn1	ZINC000737592346	599194563	/nfs/dbraw/zinc/19/45/63/599194563.db2.gz	NIAPADNQAIVNIV-UHFFFAOYSA-N	-1	3	370.376	2.391	20	30		FEEDHM
Cn1cc(-c2cccc(C(=O)Nc3ccc(C#N)c(-c4nn[n-]n4)c3)c2)cn1	ZINC000737592346	599194566	/nfs/dbraw/zinc/19/45/66/599194566.db2.gz	NIAPADNQAIVNIV-UHFFFAOYSA-N	-1	3	370.376	2.391	20	30		FEEDHM
O=C(C=Cc1cnc(N2CCOCC2)s1)c1cccc(-c2nnn[n-]2)c1	ZINC000737809354	598309079	/nfs/dbraw/zinc/30/90/79/598309079.db2.gz	VKCWWLXRDDNRTM-PLNGDYQASA-N	-1	3	368.422	2.056	20	30		FEEDHM
O=C(C=Cc1cnc(N2CCOCC2)s1)c1cccc(-c2nn[n-]n2)c1	ZINC000737809354	598309081	/nfs/dbraw/zinc/30/90/81/598309081.db2.gz	VKCWWLXRDDNRTM-PLNGDYQASA-N	-1	3	368.422	2.056	20	30		FEEDHM
C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F	ZINC000736170853	598310663	/nfs/dbraw/zinc/31/06/63/598310663.db2.gz	YIAQKAVBNBUSJG-LLVKDONJSA-N	-1	3	366.356	2.308	20	30		FEEDHM
C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F	ZINC000736170853	598310664	/nfs/dbraw/zinc/31/06/64/598310664.db2.gz	YIAQKAVBNBUSJG-LLVKDONJSA-N	-1	3	366.356	2.308	20	30		FEEDHM
C#CCOc1ccccc1OC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1	ZINC000735388036	598423762	/nfs/dbraw/zinc/42/37/62/598423762.db2.gz	PSFDKQISXQPAJA-ZDUSSCGKSA-N	-1	3	364.361	2.252	20	30		FEEDHM
C#CCOc1ccccc1OC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1	ZINC000735388036	598423763	/nfs/dbraw/zinc/42/37/63/598423763.db2.gz	PSFDKQISXQPAJA-ZDUSSCGKSA-N	-1	3	364.361	2.252	20	30		FEEDHM
CC(C)[C@@H](C#N)NC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1	ZINC000735693125	598691288	/nfs/dbraw/zinc/69/12/88/598691288.db2.gz	WQGVGDOXPBWWIK-OAHLLOKOSA-N	-1	3	366.381	2.317	20	30		FEEDHM
C[C@@H](Oc1ccc(C#N)cc1)C(=O)OCc1ccc(F)cc1-c1nnn[n-]1	ZINC000736170799	598704390	/nfs/dbraw/zinc/70/43/90/598704390.db2.gz	XBKQNMLOEFSYPL-LLVKDONJSA-N	-1	3	367.340	2.388	20	30		FEEDHM
C[C@@H](Oc1ccc(C#N)cc1)C(=O)OCc1ccc(F)cc1-c1nn[n-]n1	ZINC000736170799	598704392	/nfs/dbraw/zinc/70/43/92/598704392.db2.gz	XBKQNMLOEFSYPL-LLVKDONJSA-N	-1	3	367.340	2.388	20	30		FEEDHM
N#CCn1c(C(=O)NCc2cccc(-c3nnn[n-]3)c2)cc2ccccc21	ZINC000737698150	598817787	/nfs/dbraw/zinc/81/77/87/598817787.db2.gz	UHLPBOFROFIEKM-UHFFFAOYSA-N	-1	3	357.377	2.275	20	30		FEEDHM
N#CCn1c(C(=O)NCc2cccc(-c3nn[n-]n3)c2)cc2ccccc21	ZINC000737698150	598817789	/nfs/dbraw/zinc/81/77/89/598817789.db2.gz	UHLPBOFROFIEKM-UHFFFAOYSA-N	-1	3	357.377	2.275	20	30		FEEDHM
C#Cc1cccc(NC(=O)CN(C)[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1	ZINC000735390682	599310784	/nfs/dbraw/zinc/31/07/84/599310784.db2.gz	BRCOSQPPLYNCBS-AWEZNQCLSA-N	-1	3	360.421	2.480	20	30		FEEDHM
Cc1ccc(C#N)cc1S(=O)(=O)Oc1c(C)cc(-c2nnn[n-]2)cc1C	ZINC000822224979	599363756	/nfs/dbraw/zinc/36/37/56/599363756.db2.gz	IKVDZSSBTOIWCN-UHFFFAOYSA-N	-1	3	369.406	2.431	20	30		FEEDHM
Cc1ccc(C#N)cc1S(=O)(=O)Oc1c(C)cc(-c2nn[n-]n2)cc1C	ZINC000822224979	599363759	/nfs/dbraw/zinc/36/37/59/599363759.db2.gz	IKVDZSSBTOIWCN-UHFFFAOYSA-N	-1	3	369.406	2.431	20	30		FEEDHM
CC(C)CN(CCC#N)Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1	ZINC000820086879	599575101	/nfs/dbraw/zinc/57/51/01/599575101.db2.gz	HPBSMHJUVSJDIG-UHFFFAOYSA-N	-1	3	352.402	2.288	20	30		FEEDHM
CC(C)CN(CCC#N)Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1	ZINC000820086879	599575103	/nfs/dbraw/zinc/57/51/03/599575103.db2.gz	HPBSMHJUVSJDIG-UHFFFAOYSA-N	-1	3	352.402	2.288	20	30		FEEDHM
COc1ccc(CNC(=O)Nc2ccc(CC#N)cc2)cc1-c1nnn[n-]1	ZINC000826200584	607617367	/nfs/dbraw/zinc/61/73/67/607617367.db2.gz	XLDLOWPMFHHZPF-UHFFFAOYSA-N	-1	3	363.381	2.263	20	30		FEEDHM
COc1ccc(CNC(=O)Nc2ccc(CC#N)cc2)cc1-c1nn[n-]n1	ZINC000826200584	607617369	/nfs/dbraw/zinc/61/73/69/607617369.db2.gz	XLDLOWPMFHHZPF-UHFFFAOYSA-N	-1	3	363.381	2.263	20	30		FEEDHM
CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CC1(NC(=O)[O-])CCC1	ZINC000828031858	604127633	/nfs/dbraw/zinc/12/76/33/604127633.db2.gz	VQYJJERHALZMNJ-UHFFFAOYSA-N	-1	3	358.442	2.029	20	30		FEEDHM
COc1ncc(CSc2nc(N)c(C#N)cc2-c2nnn[n-]2)cc1Cl	ZINC000826222414	607710341	/nfs/dbraw/zinc/71/03/41/607710341.db2.gz	VWCSRDQOLSRXND-UHFFFAOYSA-N	-1	3	374.817	2.065	20	30		FEEDHM
COc1ncc(CSc2nc(N)c(C#N)cc2-c2nn[n-]n2)cc1Cl	ZINC000826222414	607710343	/nfs/dbraw/zinc/71/03/43/607710343.db2.gz	VWCSRDQOLSRXND-UHFFFAOYSA-N	-1	3	374.817	2.065	20	30		FEEDHM
CCOC(=O)Nc1ccc(NC(=O)N(C)[C@@H](C)CC#N)cc1-c1nnn[n-]1	ZINC000825530338	607766176	/nfs/dbraw/zinc/76/61/76/607766176.db2.gz	CRCPQAWSFXOOCT-JTQLQIEISA-N	-1	3	372.389	2.201	20	30		FEEDHM
CCOC(=O)Nc1ccc(NC(=O)N(C)[C@@H](C)CC#N)cc1-c1nn[n-]n1	ZINC000825530338	607766177	/nfs/dbraw/zinc/76/61/77/607766177.db2.gz	CRCPQAWSFXOOCT-JTQLQIEISA-N	-1	3	372.389	2.201	20	30		FEEDHM
C#Cc1cccc(NC(=S)NN=Cc2ccc(-c3nnn[n-]3)s2)c1	ZINC000819709902	606369552	/nfs/dbraw/zinc/36/95/52/606369552.db2.gz	SZWZFQDZDDEILA-UHFFFAOYSA-N	-1	3	353.436	2.230	20	30		FEEDHM
COCCON=Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1	ZINC000821693220	606371075	/nfs/dbraw/zinc/37/10/75/606371075.db2.gz	XUOQHQAAXANDJN-UHFFFAOYSA-N	-1	3	353.382	2.443	20	30		FEEDHM
COCCON=Cc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1	ZINC000821693220	606371077	/nfs/dbraw/zinc/37/10/77/606371077.db2.gz	XUOQHQAAXANDJN-UHFFFAOYSA-N	-1	3	353.382	2.443	20	30		FEEDHM
O=C1C(=Cc2ccc(-c3nnn[n-]3)s2)COc2cc3c(cc21)OCO3	ZINC000823503011	606391637	/nfs/dbraw/zinc/39/16/37/606391637.db2.gz	AGBYLHAEMDMTQO-BAQGIRSFSA-N	-1	3	354.347	2.316	20	30		FEEDHM
C#CCOc1ccc([C@@H](C)OC(=O)c2cc(-c3nnn[n-]3)cn2C)cc1	ZINC000819709576	606408637	/nfs/dbraw/zinc/40/86/37/606408637.db2.gz	KAFCBOUNYRQBPO-GFCCVEGCSA-N	-1	3	351.366	2.135	20	30		FEEDHM
C#CCOc1ccc([C@@H](C)OC(=O)c2cc(-c3nn[n-]n3)cn2C)cc1	ZINC000819709576	606408639	/nfs/dbraw/zinc/40/86/39/606408639.db2.gz	KAFCBOUNYRQBPO-GFCCVEGCSA-N	-1	3	351.366	2.135	20	30		FEEDHM
Cn1cc(-c2nnn[n-]2)cc1C(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1	ZINC000822627088	606447032	/nfs/dbraw/zinc/44/70/32/606447032.db2.gz	JONFWDGJDUCGTO-CVEARBPZSA-N	-1	3	361.409	2.117	20	30		FEEDHM
Cn1cc(-c2nn[n-]n2)cc1C(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1	ZINC000822627088	606447034	/nfs/dbraw/zinc/44/70/34/606447034.db2.gz	JONFWDGJDUCGTO-CVEARBPZSA-N	-1	3	361.409	2.117	20	30		FEEDHM
N#Cc1ccc(CNC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c(F)c1	ZINC000822825757	606678506	/nfs/dbraw/zinc/67/85/06/606678506.db2.gz	OBOKJSSNDLSSEZ-UHFFFAOYSA-N	-1	3	358.283	2.086	20	30		FEEDHM
N#Cc1ccc(CNC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c(F)c1	ZINC000822825757	606678507	/nfs/dbraw/zinc/67/85/07/606678507.db2.gz	OBOKJSSNDLSSEZ-UHFFFAOYSA-N	-1	3	358.283	2.086	20	30		FEEDHM
N#Cc1ccc(NC(=O)CCc2cccc([N+](=O)[O-])c2)cc1-c1nnn[n-]1	ZINC000822829671	606681282	/nfs/dbraw/zinc/68/12/82/606681282.db2.gz	CVBLUOUIBBQQGV-UHFFFAOYSA-N	-1	3	363.337	2.218	20	30		FEEDHM
N#Cc1ccc(NC(=O)CCc2cccc([N+](=O)[O-])c2)cc1-c1nn[n-]n1	ZINC000822829671	606681283	/nfs/dbraw/zinc/68/12/83/606681283.db2.gz	CVBLUOUIBBQQGV-UHFFFAOYSA-N	-1	3	363.337	2.218	20	30		FEEDHM
N#CCc1ccnc(NC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)c1	ZINC000822814381	606945429	/nfs/dbraw/zinc/94/54/29/606945429.db2.gz	FHLXIRRHXQZHRL-UHFFFAOYSA-N	-1	3	365.422	2.200	20	30		FEEDHM
N#CCc1ccnc(NC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)c1	ZINC000822814381	606945430	/nfs/dbraw/zinc/94/54/30/606945430.db2.gz	FHLXIRRHXQZHRL-UHFFFAOYSA-N	-1	3	365.422	2.200	20	30		FEEDHM
N#Cc1cccc(SCC(=O)NCc2ccc(-c3nnn[n-]3)cc2)c1	ZINC000822836956	607013728	/nfs/dbraw/zinc/01/37/28/607013728.db2.gz	BVLDBQWAYNQAAW-UHFFFAOYSA-N	-1	3	350.407	2.147	20	30		FEEDHM
N#Cc1cccc(SCC(=O)NCc2ccc(-c3nn[n-]n3)cc2)c1	ZINC000822836956	607013729	/nfs/dbraw/zinc/01/37/29/607013729.db2.gz	BVLDBQWAYNQAAW-UHFFFAOYSA-N	-1	3	350.407	2.147	20	30		FEEDHM
Cc1nnc(-c2cccc(C(=O)Nc3ccc(-c4nnn[n-]4)c(C#N)c3)c2)o1	ZINC000822505185	607019377	/nfs/dbraw/zinc/01/93/77/607019377.db2.gz	BNRYPJIIJUKLPZ-UHFFFAOYSA-N	-1	3	372.348	2.349	20	30		FEEDHM
Cc1nnc(-c2cccc(C(=O)Nc3ccc(-c4nn[n-]n4)c(C#N)c3)c2)o1	ZINC000822505185	607019379	/nfs/dbraw/zinc/01/93/79/607019379.db2.gz	BNRYPJIIJUKLPZ-UHFFFAOYSA-N	-1	3	372.348	2.349	20	30		FEEDHM
N#Cc1cnc(NC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)s1	ZINC000822842300	607106647	/nfs/dbraw/zinc/10/66/47/607106647.db2.gz	AXOANJXLQDMUMC-UHFFFAOYSA-N	-1	3	357.424	2.067	20	30		FEEDHM
N#Cc1cnc(NC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)s1	ZINC000822842300	607106649	/nfs/dbraw/zinc/10/66/49/607106649.db2.gz	AXOANJXLQDMUMC-UHFFFAOYSA-N	-1	3	357.424	2.067	20	30		FEEDHM
N#Cc1cccc(-c2c[nH]c(CNC(=O)c3ccc(-c4nnn[n-]4)cc3)n2)c1	ZINC000822837210	607187621	/nfs/dbraw/zinc/18/76/21/607187621.db2.gz	JNWDKKCEBPMYDC-UHFFFAOYSA-N	-1	3	370.376	2.058	20	30		FEEDHM
N#Cc1cccc(-c2c[nH]c(CNC(=O)c3ccc(-c4nn[n-]n4)cc3)n2)c1	ZINC000822837210	607187622	/nfs/dbraw/zinc/18/76/22/607187622.db2.gz	JNWDKKCEBPMYDC-UHFFFAOYSA-N	-1	3	370.376	2.058	20	30		FEEDHM
C[C@H](C#N)CN(C(=O)CSCc1ccc(-c2nnn[n-]2)cc1)C1CC1	ZINC000824035059	607823806	/nfs/dbraw/zinc/82/38/06/607823806.db2.gz	SKPKNIUELDVZHR-GFCCVEGCSA-N	-1	3	356.455	2.251	20	30		FEEDHM
C[C@H](C#N)CN(C(=O)CSCc1ccc(-c2nn[n-]n2)cc1)C1CC1	ZINC000824035059	607823807	/nfs/dbraw/zinc/82/38/07/607823807.db2.gz	SKPKNIUELDVZHR-GFCCVEGCSA-N	-1	3	356.455	2.251	20	30		FEEDHM
Cc1noc(C)c1[C@H](C)CC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1	ZINC000826338143	607829981	/nfs/dbraw/zinc/82/99/81/607829981.db2.gz	MCOFPHFLSAUJOT-SECBINFHSA-N	-1	3	351.370	2.476	20	30		FEEDHM
Cc1noc(C)c1[C@H](C)CC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1	ZINC000826338143	607829982	/nfs/dbraw/zinc/82/99/82/607829982.db2.gz	MCOFPHFLSAUJOT-SECBINFHSA-N	-1	3	351.370	2.476	20	30		FEEDHM
Cc1cc(-c2nn[n-]n2)ccc1OC[C@H](O)COc1ccc(CC#N)cc1	ZINC000826255109	607875776	/nfs/dbraw/zinc/87/57/76/607875776.db2.gz	LWCVGNDCBDWUQI-MRXNPFEDSA-N	-1	3	365.393	2.060	20	30		FEEDHM
C#CC[C@@H](NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl)c1ccccc1	ZINC000823837289	607956094	/nfs/dbraw/zinc/95/60/94/607956094.db2.gz	AHEYMZPBHBAJIT-CQSZACIVSA-N	-1	3	352.785	2.410	20	30		FEEDHM
C#CC[C@@H](NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl)c1ccccc1	ZINC000823837289	607956095	/nfs/dbraw/zinc/95/60/95/607956095.db2.gz	AHEYMZPBHBAJIT-CQSZACIVSA-N	-1	3	352.785	2.410	20	30		FEEDHM
N#Cc1cccc([C@H]2CN(Cc3cc(-c4nnn[n-]4)ccc3F)CCO2)c1	ZINC000826386939	608069316	/nfs/dbraw/zinc/06/93/16/608069316.db2.gz	ZBOPNHBLZZQYHP-GOSISDBHSA-N	-1	3	364.384	2.451	20	30		FEEDHM
N#Cc1cccc([C@H]2CN(Cc3cc(-c4nn[n-]n4)ccc3F)CCO2)c1	ZINC000826386939	608069317	/nfs/dbraw/zinc/06/93/17/608069317.db2.gz	ZBOPNHBLZZQYHP-GOSISDBHSA-N	-1	3	364.384	2.451	20	30		FEEDHM
Cc1oc(NC(=O)[C@H](C)N2CCC[C@@](C)(C#N)C2)c(-c2nnn[n-]2)c1C	ZINC000826341669	608126108	/nfs/dbraw/zinc/12/61/08/608126108.db2.gz	NDVWGFQBDOPPQN-GTNSWQLSSA-N	-1	3	357.418	2.029	20	30		FEEDHM
C=CCOCCCC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl	ZINC000823925441	608162384	/nfs/dbraw/zinc/16/23/84/608162384.db2.gz	KNTJQIPDPFXPOZ-UHFFFAOYSA-N	-1	3	366.765	2.350	20	30		FEEDHM
C=CCOCCCC(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl	ZINC000823925441	608162387	/nfs/dbraw/zinc/16/23/87/608162387.db2.gz	KNTJQIPDPFXPOZ-UHFFFAOYSA-N	-1	3	366.765	2.350	20	30		FEEDHM
N#Cc1cccc(CN2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)c1F	ZINC000826386837	608419059	/nfs/dbraw/zinc/41/90/59/608419059.db2.gz	UVFZZXGOZDHXFN-KRWDZBQOSA-N	-1	3	364.384	2.451	20	30		FEEDHM
N#Cc1cccc(CN2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)c1F	ZINC000826386837	608419061	/nfs/dbraw/zinc/41/90/61/608419061.db2.gz	UVFZZXGOZDHXFN-KRWDZBQOSA-N	-1	3	364.384	2.451	20	30		FEEDHM
C=CCOc1cccnc1C(=O)OCCOc1cccc(-c2nnn[n-]2)c1	ZINC000823931834	608456992	/nfs/dbraw/zinc/45/69/92/608456992.db2.gz	GXRNRGPPMBYHKO-UHFFFAOYSA-N	-1	3	367.365	2.062	20	30		FEEDHM
C=CCOc1cccnc1C(=O)OCCOc1cccc(-c2nn[n-]n2)c1	ZINC000823931834	608456993	/nfs/dbraw/zinc/45/69/93/608456993.db2.gz	GXRNRGPPMBYHKO-UHFFFAOYSA-N	-1	3	367.365	2.062	20	30		FEEDHM
Cc1c(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)sc2nccn12	ZINC000826234618	608494433	/nfs/dbraw/zinc/49/44/33/608494433.db2.gz	GJBMOFGMSXEOJZ-UHFFFAOYSA-N	-1	3	350.367	2.008	20	30		FEEDHM
Cc1c(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)sc2nccn12	ZINC000826234618	608494434	/nfs/dbraw/zinc/49/44/34/608494434.db2.gz	GJBMOFGMSXEOJZ-UHFFFAOYSA-N	-1	3	350.367	2.008	20	30		FEEDHM
C=CCN(Cc1ccc(C(=O)N(C)C)[nH]1)Cc1cccc(-c2nn[n-]n2)c1	ZINC000823915351	608631893	/nfs/dbraw/zinc/63/18/93/608631893.db2.gz	VVEKSBHWGQDHMV-UHFFFAOYSA-N	-1	3	365.441	2.085	20	30		FEEDHM
CC1(C#N)CCN(Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)CC1	ZINC000824777624	609142334	/nfs/dbraw/zinc/14/23/34/609142334.db2.gz	KUJILNICFZWSBX-UHFFFAOYSA-N	-1	3	350.386	2.042	20	30		FEEDHM
CC1(C#N)CCN(Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)CC1	ZINC000824777624	609142337	/nfs/dbraw/zinc/14/23/37/609142337.db2.gz	KUJILNICFZWSBX-UHFFFAOYSA-N	-1	3	350.386	2.042	20	30		FEEDHM
C=CCSCCNC(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1	ZINC000823937205	609248340	/nfs/dbraw/zinc/24/83/40/609248340.db2.gz	MJOAAIWCQXCFRG-UHFFFAOYSA-N	-1	3	374.470	2.011	20	30		FEEDHM
C=CCSCCNC(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1	ZINC000823937205	609248342	/nfs/dbraw/zinc/24/83/42/609248342.db2.gz	MJOAAIWCQXCFRG-UHFFFAOYSA-N	-1	3	374.470	2.011	20	30		FEEDHM
C=CCCO[C@H](C)C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1	ZINC000823899505	609290075	/nfs/dbraw/zinc/29/00/75/609290075.db2.gz	XHYUTIIYYGRMFW-LLVKDONJSA-N	-1	3	371.376	2.111	20	30		FEEDHM
N#Cc1ccc(CNC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)c(F)c1	ZINC000826385063	609292411	/nfs/dbraw/zinc/29/24/11/609292411.db2.gz	VPDAJUIHAARCBX-UHFFFAOYSA-N	-1	3	356.748	2.461	20	30		FEEDHM
N#Cc1ccc(CNC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)c(F)c1	ZINC000826385063	609292414	/nfs/dbraw/zinc/29/24/14/609292414.db2.gz	VPDAJUIHAARCBX-UHFFFAOYSA-N	-1	3	356.748	2.461	20	30		FEEDHM
Cc1nnc(SCC(=O)c2cccc(-c3nnn[n-]3)c2)c(C#N)c1C	ZINC000826336633	609306052	/nfs/dbraw/zinc/30/60/52/609306052.db2.gz	HCMZIKGKCHCOIW-UHFFFAOYSA-N	-1	3	351.395	2.120	20	30		FEEDHM
Cc1nnc(SCC(=O)c2cccc(-c3nn[n-]n3)c2)c(C#N)c1C	ZINC000826336633	609306054	/nfs/dbraw/zinc/30/60/54/609306054.db2.gz	HCMZIKGKCHCOIW-UHFFFAOYSA-N	-1	3	351.395	2.120	20	30		FEEDHM
Cn1cc(C=NO[C@H]2CCCCO2)c(-c2ccc(-c3nnn[n-]3)cc2)n1	ZINC000826360433	609306816	/nfs/dbraw/zinc/30/68/16/609306816.db2.gz	KDAOYZWGTRHTGR-HNNXBMFYSA-N	-1	3	353.386	2.144	20	30		FEEDHM
Cn1cc(C=NO[C@H]2CCCCO2)c(-c2ccc(-c3nn[n-]n3)cc2)n1	ZINC000826360433	609306819	/nfs/dbraw/zinc/30/68/19/609306819.db2.gz	KDAOYZWGTRHTGR-HNNXBMFYSA-N	-1	3	353.386	2.144	20	30		FEEDHM
CC(C)(C#N)CNC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1	ZINC000824059034	609429792	/nfs/dbraw/zinc/42/97/92/609429792.db2.gz	LHTJORKCRLBSJV-UHFFFAOYSA-N	-1	3	366.381	2.318	20	30		FEEDHM
O=C1CCC(N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)c2ccccc2N1	ZINC000826479966	609469916	/nfs/dbraw/zinc/46/99/16/609469916.db2.gz	NGFUHOYFQPRRFB-UHFFFAOYSA-N	-1	3	368.788	2.464	20	30		FEEDHM
O=C1CCC(N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)c2ccccc2N1	ZINC000826479966	609469918	/nfs/dbraw/zinc/46/99/18/609469918.db2.gz	NGFUHOYFQPRRFB-UHFFFAOYSA-N	-1	3	368.788	2.464	20	30		FEEDHM
N#CCCCNC(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1	ZINC000826381264	609493514	/nfs/dbraw/zinc/49/35/14/609493514.db2.gz	DQOIWOHCBJOMGK-UHFFFAOYSA-N	-1	3	368.426	2.339	20	30		FEEDHM
N#CCCCNC(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1	ZINC000826381264	609493516	/nfs/dbraw/zinc/49/35/16/609493516.db2.gz	DQOIWOHCBJOMGK-UHFFFAOYSA-N	-1	3	368.426	2.339	20	30		FEEDHM
N#CCCCNC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1	ZINC000826381694	609516095	/nfs/dbraw/zinc/51/60/95/609516095.db2.gz	VMEGXZGRTPDQRD-UHFFFAOYSA-N	-1	3	362.393	2.479	20	30		FEEDHM
N#CCCCNC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1	ZINC000826381694	609516100	/nfs/dbraw/zinc/51/61/00/609516100.db2.gz	VMEGXZGRTPDQRD-UHFFFAOYSA-N	-1	3	362.393	2.479	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)Oc2cccc(-c3nnn[n-]3)c2)c(Cl)c1	ZINC000826386078	609535935	/nfs/dbraw/zinc/53/59/35/609535935.db2.gz	OBOFPDGTESGIBA-UHFFFAOYSA-N	-1	3	361.770	2.159	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)Oc2cccc(-c3nn[n-]n3)c2)c(Cl)c1	ZINC000826386078	609535937	/nfs/dbraw/zinc/53/59/37/609535937.db2.gz	OBOFPDGTESGIBA-UHFFFAOYSA-N	-1	3	361.770	2.159	20	30		FEEDHM
CC(C)(CO)[C@H]([N-]S(=O)(=O)c1cccc(F)c1C#N)c1cccnc1	ZINC000815052417	674907864	/nfs/dbraw/zinc/90/78/64/674907864.db2.gz	NQYZVQDTOYGPMO-MRXNPFEDSA-N	-1	3	363.414	2.130	20	30		FEEDHM
C[C@H](Sc1ccc(Br)cc1)C(=O)N[C@@H]1CCN([O-])C1=O	ZINC000816692530	675073272	/nfs/dbraw/zinc/07/32/72/675073272.db2.gz	QCCRLYOUEOVHDI-GZMMTYOYSA-N	-1	3	359.245	2.036	20	30		FEEDHM
CC(C)Oc1ccc(-c2nc(C(=O)N[C@@H]3CCN([O-])C3=O)cs2)cc1	ZINC000816695110	675073600	/nfs/dbraw/zinc/07/36/00/675073600.db2.gz	VRSYGSPXTUCUSI-CYBMUJFWSA-N	-1	3	361.423	2.317	20	30		FEEDHM
Cc1nc(COc2cccc(C(=O)N[C@@H]3CCCN([O-])C3=O)c2)cs1	ZINC000816757606	675078210	/nfs/dbraw/zinc/07/82/10/675078210.db2.gz	WXMHFUIVPAREHS-OAHLLOKOSA-N	-1	3	361.423	2.141	20	30		FEEDHM
C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(N(C)C)cc2)c1	ZINC000077687752	670571040	/nfs/dbraw/zinc/57/10/40/670571040.db2.gz	JNZIXSQLEALXKB-UHFFFAOYSA-N	-1	3	359.451	2.469	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(CCC)[nH]n2)ccc1F	ZINC000110014582	670846260	/nfs/dbraw/zinc/84/62/60/670846260.db2.gz	VRYJJPHTZJEPLF-UHFFFAOYSA-N	-1	3	366.418	2.218	20	30		FEEDHM
N#Cc1ccc(N2CCC[C@H]2C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1	ZINC000609112259	675910602	/nfs/dbraw/zinc/91/06/02/675910602.db2.gz	GEGFZYZSQPMABS-NSHDSACASA-N	-1	3	350.304	2.303	20	30		FEEDHM
N#Cc1ccc(N2CCC[C@H]2C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1	ZINC000609112259	675910605	/nfs/dbraw/zinc/91/06/05/675910605.db2.gz	GEGFZYZSQPMABS-NSHDSACASA-N	-1	3	350.304	2.303	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(O)cc2F)ccc1F	ZINC000119455971	671900117	/nfs/dbraw/zinc/90/01/17/671900117.db2.gz	SNOAZONPZDLNPJ-UHFFFAOYSA-N	-1	3	368.361	2.387	20	30		FEEDHM
CC[C@@](C)(C#N)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1	ZINC000127249675	672034273	/nfs/dbraw/zinc/03/42/73/672034273.db2.gz	HHYRJBZDGNODFP-INIZCTEOSA-N	-1	3	355.435	2.325	20	30		FEEDHM
C/C=C/C[C@@H]([N-]S(=O)(=O)Cc1ccc(CC#N)cc1)C(=O)OCC	ZINC000583260640	672078917	/nfs/dbraw/zinc/07/89/17/672078917.db2.gz	VLLZENUVSVALDQ-LLCTXKFZSA-N	-1	3	350.440	2.070	20	30		FEEDHM
COc1ccc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)c(C)c1	ZINC000611026679	676012895	/nfs/dbraw/zinc/01/28/95/676012895.db2.gz	NRQSKUHYKJOMEK-UHFFFAOYSA-N	-1	3	361.379	2.262	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1C#N)c1ccon1	ZINC000588121478	672451634	/nfs/dbraw/zinc/45/16/34/672451634.db2.gz	FQPAYLRGWPSCJH-MRVPVSSYSA-N	-1	3	356.201	2.348	20	30		FEEDHM
C#CCCCNC(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1	ZINC000183962264	672486058	/nfs/dbraw/zinc/48/60/58/672486058.db2.gz	CWWUCDIYSSNHOD-UHFFFAOYSA-N	-1	3	357.435	2.482	20	30		FEEDHM
C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1ccc(C(=O)OCC)cc1F	ZINC000593600992	672955116	/nfs/dbraw/zinc/95/51/16/672955116.db2.gz	JVNIGABTPQZVAX-KGLIPLIRSA-N	-1	3	357.403	2.014	20	30		FEEDHM
CCOC(=O)[C@H]([N-]S(=O)(=O)N(CC)C[C@H](C)C#N)C1CCCCCC1	ZINC000594482310	673086018	/nfs/dbraw/zinc/08/60/18/673086018.db2.gz	TZQYLQZIWJSVJG-GDBMZVCRSA-N	-1	3	373.519	2.204	20	30		FEEDHM
CC(C)CC(CC(C)C)NC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000728847234	673213201	/nfs/dbraw/zinc/21/32/01/673213201.db2.gz	PICMCQRACUPUJP-UHFFFAOYSA-N	-1	3	365.499	2.302	20	30		FEEDHM
N#CC1(CS(=O)(=O)[N-][C@H](CO)c2cc(F)ccc2F)CCCCC1	ZINC000613926736	676153465	/nfs/dbraw/zinc/15/34/65/676153465.db2.gz	SNRTYECOAVMIEF-OAHLLOKOSA-N	-1	3	358.410	2.392	20	30		FEEDHM
CCCN(CC(C)C)C(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000742528667	673730016	/nfs/dbraw/zinc/73/00/16/673730016.db2.gz	XNRBAVCAKMHOOQ-AWEZNQCLSA-N	-1	3	365.499	2.398	20	30		FEEDHM
C[C@@H](CC(=O)NC1(C)CCCCC1)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000742571339	673731124	/nfs/dbraw/zinc/73/11/24/673731124.db2.gz	JBWURJLJKHDGQX-ZDUSSCGKSA-N	-1	3	363.483	2.343	20	30		FEEDHM
COc1csc(C([O-])=C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)c1	ZINC000747109648	673907344	/nfs/dbraw/zinc/90/73/44/673907344.db2.gz	ZFZYJDNYUFHCTG-GFCCVEGCSA-N	-1	3	358.375	2.489	20	30		FEEDHM
C=CCN(C(=O)[C@H](C)[N-]S(=O)(=O)c1c(C)noc1C)c1ccccc1	ZINC000615001685	676199385	/nfs/dbraw/zinc/19/93/85/676199385.db2.gz	HMCWKDCLJAVGMX-ZDUSSCGKSA-N	-1	3	363.439	2.177	20	30		FEEDHM
O=C(N[C@H]1CCN([O-])C1=O)c1sc(-c2ccccc2)nc1C(F)F	ZINC000820148620	675339487	/nfs/dbraw/zinc/33/94/87/675339487.db2.gz	ITNYTIGNSYGDGE-VIFPVBQESA-N	-1	3	353.350	2.468	20	30		FEEDHM
CCN(CC)c1ccnc(N=NC(C)c2ccc(-c3nnn[n-]3)s2)n1	ZINC000825418180	675652045	/nfs/dbraw/zinc/65/20/45/675652045.db2.gz	YDAXYHVCZNLLHI-UHFFFAOYSA-N	-1	3	357.447	2.401	20	30		FEEDHM
C=CCN(C(=O)C[C@H](C)[N-]S(=O)(=O)c1cccnc1Cl)C(C)C	ZINC000760526691	680691662	/nfs/dbraw/zinc/69/16/62/680691662.db2.gz	KERYYXLQCNEHLX-LBPRGKRZSA-N	-1	3	359.879	2.215	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2scnc2C)ccc1F	ZINC000760955152	680705803	/nfs/dbraw/zinc/70/58/03/680705803.db2.gz	HQLVVHLUAQVAEL-UHFFFAOYSA-N	-1	3	355.416	2.307	20	30		FEEDHM
C#CCOc1ccccc1[C@@H](C)OC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C	ZINC000764637946	680817525	/nfs/dbraw/zinc/81/75/25/680817525.db2.gz	FMKJNDYHVRRDSQ-CZUORRHYSA-N	-1	3	367.467	2.267	20	30		FEEDHM
C[C@H](CC(=O)N(C)[C@@H](C)C1(C)CC1)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000752784133	680260158	/nfs/dbraw/zinc/26/01/58/680260158.db2.gz	ZIXJNNRJKCBJPU-OLZOCXBDSA-N	-1	3	363.483	2.151	20	30		FEEDHM
COc1cc(C(=O)OCC(=O)Nc2sccc2C#N)cc(OC)c1[O-]	ZINC000754280259	680347873	/nfs/dbraw/zinc/34/78/73/680347873.db2.gz	MBEDLIXZGMISLS-UHFFFAOYSA-N	-1	3	362.363	2.138	20	30		FEEDHM
O=S(=O)(CCc1ccccc1)[N-]N=Cc1cnc([C@@H]2CCCO2)s1	ZINC000755752807	680433538	/nfs/dbraw/zinc/43/35/38/680433538.db2.gz	CRKKJDLINOLAKJ-HNNXBMFYSA-N	-1	3	365.480	2.491	20	30		FEEDHM
CC#CCCOC(=O)[C@H](CCCC)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000760284144	680681557	/nfs/dbraw/zinc/68/15/57/680681557.db2.gz	MNRALQBSWYTOLV-HNNXBMFYSA-N	-1	3	362.451	2.241	20	30		FEEDHM
COC[C@@H](Cn1ccc(C=N[O-])nc1=O)c1ccc(Br)cc1	ZINC000842031311	680922667	/nfs/dbraw/zinc/92/26/67/680922667.db2.gz	WPFSPYNOAJSTEL-GFCCVEGCSA-N	-1	3	366.215	2.244	20	30		FEEDHM
N#Cc1ccc([N-]S(=O)(=O)c2ccc(N3CCOC3=O)cc2)c(F)c1	ZINC000771151655	681044101	/nfs/dbraw/zinc/04/41/01/681044101.db2.gz	PFSMAVWJMLSEHA-UHFFFAOYSA-N	-1	3	361.354	2.455	20	30		FEEDHM
C#C[C@@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)[C@@H]1CCCO1	ZINC000773059402	681123302	/nfs/dbraw/zinc/12/33/02/681123302.db2.gz	WJKYWLOGBXTQOP-NEPJUHHUSA-N	-1	3	351.321	2.304	20	30		FEEDHM
C=C(CC)COC(=O)C[N-]S(=O)(=O)c1ccc(Br)s1	ZINC000773501451	681144928	/nfs/dbraw/zinc/14/49/28/681144928.db2.gz	STYRBGUXRUZYPO-UHFFFAOYSA-N	-1	3	368.274	2.298	20	30		FEEDHM
CC(C)[C@@H]1C[C@H]1COC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000774855647	681242760	/nfs/dbraw/zinc/24/27/60/681242760.db2.gz	ZEAOBMHZPWELRE-IPYPFGDCSA-N	-1	3	364.467	2.339	20	30		FEEDHM
C=C[C@@H](C)O[N-]C(=O)CC[C@@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O	ZINC000846544291	681257907	/nfs/dbraw/zinc/25/79/07/681257907.db2.gz	GGDWJAQTRMBKGC-MFKMUULPSA-N	-1	3	351.790	2.167	20	30		FEEDHM
O=C(N[C@H]1CCCN([O-])C1=O)C1(c2cccc(OC(F)(F)F)c2)CC1	ZINC000848130802	681477638	/nfs/dbraw/zinc/47/76/38/681477638.db2.gz	RNUZZCWWBTVPPJ-LBPRGKRZSA-N	-1	3	358.316	2.113	20	30		FEEDHM
O=C(CCc1cc(Br)ccc1F)N[C@H]1CCCN([O-])C1=O	ZINC000848135296	681478065	/nfs/dbraw/zinc/47/80/65/681478065.db2.gz	LQHYNISKWQAJCN-LBPRGKRZSA-N	-1	3	359.195	2.017	20	30		FEEDHM
O=C([N-][C@H]1CCCN(O)C1=O)C(F)(F)c1ccccc1Br	ZINC000848132149	681478107	/nfs/dbraw/zinc/47/81/07/681478107.db2.gz	ORGOQOAVBARESP-JTQLQIEISA-N	-1	3	363.158	2.037	20	30		FEEDHM
CCOc1ccc(NC(=S)NN=Cc2c([O-])c(C)ncc2CO)cc1	ZINC000915926336	685519666	/nfs/dbraw/zinc/51/96/66/685519666.db2.gz	ICKOXJRULSWINY-UHFFFAOYSA-N	-1	3	360.439	2.307	20	30		FEEDHM
CC(C)C[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)O[C@@H](C)C1CC1	ZINC000786985241	682427233	/nfs/dbraw/zinc/42/72/33/682427233.db2.gz	LIIHKFKHPYHCMT-SWLSCSKDSA-N	-1	3	364.467	2.482	20	30		FEEDHM
C[C@H](CC(=O)OC[C@H](C)C1CC1)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000789608116	682621444	/nfs/dbraw/zinc/62/14/44/682621444.db2.gz	RNFGQMBCWQLPOY-NWDGAFQWSA-N	-1	3	350.440	2.093	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)NC[C@@]2(C)CC2(F)F)ccc1F	ZINC000855798518	682713378	/nfs/dbraw/zinc/71/33/78/682713378.db2.gz	DMNOSUFCCCRNGV-CQSZACIVSA-N	-1	3	362.373	2.065	20	30		FEEDHM
CC[C@](C)(NC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21)C1CC1	ZINC000855881269	682720948	/nfs/dbraw/zinc/72/09/48/682720948.db2.gz	XJTJFOTVHKAMLK-SGTLLEGYSA-N	-1	3	363.483	2.199	20	30		FEEDHM
C[C@@H](OC(=O)c1cc([O-])cc(Br)c1)C(=O)N(C)CCC#N	ZINC000860203096	683215613	/nfs/dbraw/zinc/21/56/13/683215613.db2.gz	WOCJPWDDRZUTIO-SECBINFHSA-N	-1	3	355.188	2.072	20	30		FEEDHM
COc1cc(OC)c(OC)cc1C=N[N-]S(=O)(=O)Cc1ccccc1	ZINC000920382929	683337740	/nfs/dbraw/zinc/33/77/40/683337740.db2.gz	CNBGRWYIFHIGSL-UHFFFAOYSA-N	-1	3	364.423	2.166	20	30		FEEDHM
C=CC[C@@H](CC)NC(=O)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F	ZINC000799034833	683415666	/nfs/dbraw/zinc/41/56/66/683415666.db2.gz	LTMWYOWXXCXWLV-SNVBAGLBSA-N	-1	3	358.410	2.490	20	30		FEEDHM
C=CCCC[C@H]([N-]S(=O)(=O)Cc1ccc(F)cc1C#N)C(=O)OC	ZINC000921383372	683448538	/nfs/dbraw/zinc/44/85/38/683448538.db2.gz	VMXJSGBIMJLLCL-HNNXBMFYSA-N	-1	3	354.403	2.015	20	30		FEEDHM
C#CCCCCC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F	ZINC000799405666	683452968	/nfs/dbraw/zinc/45/29/68/683452968.db2.gz	DRARTZGMYOBEIN-UHFFFAOYSA-N	-1	3	360.838	2.067	20	30		FEEDHM
CC(C)C1(COC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)CC1	ZINC000799675456	683479977	/nfs/dbraw/zinc/47/99/77/683479977.db2.gz	JDLBTOCINGXPSM-CYBMUJFWSA-N	-1	3	364.467	2.483	20	30		FEEDHM
N#CCCN(CCN1CCOCC1)Cc1c([O-])cccc1Br	ZINC000862210143	683549937	/nfs/dbraw/zinc/54/99/37/683549937.db2.gz	AWQKEQFBTIXMKB-UHFFFAOYSA-N	-1	3	368.275	2.203	20	30		FEEDHM
C=CC[C@H]1CCN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)C1	ZINC000862543186	683599559	/nfs/dbraw/zinc/59/95/59/683599559.db2.gz	DVIVAECIQXAYED-LBPRGKRZSA-N	-1	3	352.431	2.305	20	30		FEEDHM
CC1(C)CCC(C)(NC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)CC1	ZINC000862965237	683656537	/nfs/dbraw/zinc/65/65/37/683656537.db2.gz	LXNOCDZBTCTGIR-UHFFFAOYSA-N	-1	3	363.483	2.200	20	30		FEEDHM
O=c1[n-]c(CN=Cc2cc(Br)ccc2O)nc2c1COCC2	ZINC000864348595	683840399	/nfs/dbraw/zinc/84/03/99/683840399.db2.gz	NFCFVBSXDJKBTG-UBKPWBPPSA-N	-1	3	364.199	2.342	20	30		FEEDHM
COCCn1ncc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)c1C	ZINC000870138426	684687130	/nfs/dbraw/zinc/68/71/30/684687130.db2.gz	FGUVODFGPTUDIW-GFCCVEGCSA-N	-1	3	360.801	2.453	20	30		FEEDHM
C#C[C@](C)(CC)NC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1	ZINC000878407864	686580641	/nfs/dbraw/zinc/58/06/41/686580641.db2.gz	CPFRQLVHHSPUML-MRXNPFEDSA-N	-1	3	353.444	2.380	20	30		FEEDHM
O=C(N[C@@H](c1c(F)cccc1F)C(F)(F)F)N[C@@H]1CCCN([O-])C1=O	ZINC000879267527	686783473	/nfs/dbraw/zinc/78/34/73/686783473.db2.gz	BXKYFXICMXJHGX-KOLCDFICSA-N	-1	3	367.274	2.248	20	30		FEEDHM
CCOC(=O)[C@](C)([N-]S(=O)(=O)CC1(CC#N)CC1)c1ccccc1	ZINC000885845171	688167327	/nfs/dbraw/zinc/16/73/27/688167327.db2.gz	GPFZESWQQRHPHM-MRXNPFEDSA-N	-1	3	350.440	2.078	20	30		FEEDHM
C#CCC1(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)CCC1	ZINC000886788176	688312338	/nfs/dbraw/zinc/31/23/38/688312338.db2.gz	VAHWAKSZTFBSJG-UHFFFAOYSA-N	-1	3	352.431	2.188	20	30		FEEDHM
CS[C@@H](C)CCC(=O)N([O-])CCCN1C(=O)c2ccccc2C1=O	ZINC000904184292	691010640	/nfs/dbraw/zinc/01/06/40/691010640.db2.gz	OGSKNAIOMODNIR-LBPRGKRZSA-N	-1	3	350.440	2.422	20	30		FEEDHM
C[C@H](CC(=O)N([O-])CCCN1C(=O)c2ccccc2C1=O)C(F)(F)F	ZINC000904186217	691011019	/nfs/dbraw/zinc/01/10/19/691011019.db2.gz	RFIICGKGLSSYLO-SNVBAGLBSA-N	-1	3	358.316	2.479	20	30		FEEDHM
CCS(=O)(=O)N1CCC[C@@H](C(=O)N([O-])Cc2ccccc2Cl)C1	ZINC000904188367	691011121	/nfs/dbraw/zinc/01/11/21/691011121.db2.gz	CFTWZYVRGZNMFO-CYBMUJFWSA-N	-1	3	360.863	2.120	20	30		FEEDHM
CCS(=O)(=O)N1CCC[C@H](C(=O)N([O-])Cc2ccccc2Cl)C1	ZINC000904188368	691011137	/nfs/dbraw/zinc/01/11/37/691011137.db2.gz	CFTWZYVRGZNMFO-ZDUSSCGKSA-N	-1	3	360.863	2.120	20	30		FEEDHM
CCCCN([O-])C(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1	ZINC000904207218	691013253	/nfs/dbraw/zinc/01/32/53/691013253.db2.gz	VYYXQXBRPFIPHN-UHFFFAOYSA-N	-1	3	354.472	2.414	20	30		FEEDHM
CCc1oc(C=N[N-]S(=O)(=O)CCc2ccccc2)cc1C(=O)OC	ZINC000800813785	674077931	/nfs/dbraw/zinc/07/79/31/674077931.db2.gz	JEXFIEVHZISBFB-UHFFFAOYSA-N	-1	3	364.423	2.125	20	30		FEEDHM
COc1ccc(C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)c([O-])c1	ZINC000046622910	540264391	/nfs/dbraw/zinc/26/43/91/540264391.db2.gz	MBKSORBBRDZJQL-UHFFFAOYSA-N	-1	3	368.393	2.100	20	30		FEEDHM
Cc1cc([N-]C(=O)[C@@H](C)N2CCCN(c3ccccc3C#N)CC2)on1	ZINC000052801306	540489607	/nfs/dbraw/zinc/48/96/07/540489607.db2.gz	SNILYKORXJBOKN-OAHLLOKOSA-N	-1	3	353.426	2.394	20	30		FEEDHM
CCN1CCC(N(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C2CC2)CC1	ZINC000057371308	540791991	/nfs/dbraw/zinc/79/19/91/540791991.db2.gz	GFLVCDKDGYHIHT-UHFFFAOYSA-N	-1	3	370.497	2.271	20	30		FEEDHM
N#Cc1ccc(CS(=O)(=O)CC(=O)Nc2cc(Cl)ccc2[O-])cc1	ZINC000067145555	541424052	/nfs/dbraw/zinc/42/40/52/541424052.db2.gz	UUGPGNDQAAXFMO-UHFFFAOYSA-N	-1	3	364.810	2.471	20	30		FEEDHM
Cc1nc([C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2)c2ccccc2)n[nH]1	ZINC000068460743	541594952	/nfs/dbraw/zinc/59/49/52/541594952.db2.gz	AQCIFFGSODAZNZ-INIZCTEOSA-N	-1	3	353.407	2.053	20	30		FEEDHM
CC(C)[C@H]([N-]S(=O)(=O)CCCCC#N)c1nc(-c2cccnc2)no1	ZINC000068909574	541639908	/nfs/dbraw/zinc/63/99/08/541639908.db2.gz	XBSKAXZIAKJGAX-AWEZNQCLSA-N	-1	3	363.443	2.442	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)NCC(C)(C)SC)ccc1F	ZINC000075364470	542174307	/nfs/dbraw/zinc/17/43/07/542174307.db2.gz	XFGSIBPRKOQANY-UHFFFAOYSA-N	-1	3	360.476	2.161	20	30		FEEDHM
N#C[C@H]1COCCN1Cc1nc(=O)c2c(-c3ccccc3)csc2[n-]1	ZINC000089130015	542758214	/nfs/dbraw/zinc/75/82/14/542758214.db2.gz	CCFBBDXFYGUTRR-ZDUSSCGKSA-N	-1	3	352.419	2.376	20	30		FEEDHM
N#Cc1cc(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)ccc1F	ZINC000102879512	543083857	/nfs/dbraw/zinc/08/38/57/543083857.db2.gz	QIHRPALXBWDZOL-UHFFFAOYSA-N	-1	3	373.818	2.329	20	30		FEEDHM
Cc1nc(C(=O)N(C)C)ccc1C([O-])=C(C#N)c1nc2ccccc2n1C	ZINC000103796061	543117048	/nfs/dbraw/zinc/11/70/48/543117048.db2.gz	UOUMLONJIHVEBO-CQSZACIVSA-N	-1	3	361.405	2.469	20	30		FEEDHM
C=CC1CCN(C(=O)c2cc(C3CC3)nc3c2c(=O)[n-]c(=O)n3CC)CC1	ZINC000110968570	543376455	/nfs/dbraw/zinc/37/64/55/543376455.db2.gz	CYLAEKNEHQZHKK-UHFFFAOYSA-N	-1	3	368.437	2.020	20	30		FEEDHM
C=C(C)C[N-]S(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2	ZINC000119177479	543665434	/nfs/dbraw/zinc/66/54/34/543665434.db2.gz	ZUKBNQMFLBJFGW-UHFFFAOYSA-N	-1	3	359.245	2.188	20	30		FEEDHM
C#CCCCCC(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1	ZINC000119530887	543668799	/nfs/dbraw/zinc/66/87/99/543668799.db2.gz	KUJWFGSAILQIFZ-UHFFFAOYSA-N	-1	3	354.497	2.211	20	30		FEEDHM
C=CCCS(=O)(=O)[N-]c1ccc(C(=O)N2CCOCC2)c(Cl)c1	ZINC000120090030	543675735	/nfs/dbraw/zinc/67/57/35/543675735.db2.gz	XARALFKHKPNDGT-UHFFFAOYSA-N	-1	3	358.847	2.130	20	30		FEEDHM
C[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(F)cc2C#N)C(=O)N1c1ccccc1	ZINC000122609014	543713198	/nfs/dbraw/zinc/71/31/98/543713198.db2.gz	PVZRHOGSHDSVFI-WBMJQRKESA-N	-1	3	373.409	2.170	20	30		FEEDHM
C[C@@H](C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)N1CCC[C@H](C)C1	ZINC000124251186	543809984	/nfs/dbraw/zinc/80/99/84/543809984.db2.gz	GDYLMQWRBGPVNB-RYUDHWBXSA-N	-1	3	357.426	2.235	20	30		FEEDHM
N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCN(C3CCCC3)C2)c(F)c1	ZINC000125210314	543868231	/nfs/dbraw/zinc/86/82/31/543868231.db2.gz	LIPRUCYTJXWOLR-GFCCVEGCSA-N	-1	3	355.410	2.132	20	30		FEEDHM
CC(C)c1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1ccc(F)cc1C#N	ZINC000126128760	543919667	/nfs/dbraw/zinc/91/96/67/543919667.db2.gz	HEGMGSMYBLISNL-ZDUSSCGKSA-N	-1	3	363.418	2.226	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]CCc2cnn(-c3ccccc3)c2)c(F)c1	ZINC000151041205	544499062	/nfs/dbraw/zinc/49/90/62/544499062.db2.gz	WDTHGDJBIKMVQI-UHFFFAOYSA-N	-1	3	370.409	2.404	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCN(c3ccccc3)C2=O)c(F)c1	ZINC000151194321	544515464	/nfs/dbraw/zinc/51/54/64/544515464.db2.gz	AKMIFPBYIIGGRI-MRXNPFEDSA-N	-1	3	373.409	2.171	20	30		FEEDHM
Cc1cc(S(=O)(=O)[N-]CC2CCN(CC#N)CC2)c(Cl)cc1F	ZINC000151821004	544584260	/nfs/dbraw/zinc/58/42/60/544584260.db2.gz	OXVYGQHWPHPFBN-UHFFFAOYSA-N	-1	3	359.854	2.301	20	30		FEEDHM
Cn1cc(C(=O)C(C(=S)[N-]C(C)(C)C)[n+]2cc([O-])cc(Cl)c2)cn1	ZINC000151930281	544596426	/nfs/dbraw/zinc/59/64/26/544596426.db2.gz	ZAJMPIXFXGVNJD-UHFFFAOYSA-O	-1	3	367.882	2.394	20	30		FEEDHM
CC(C)(C)[N-]S(=O)(=O)c1cc(NC(=O)c2c[nH]c(C#N)c2)ccc1F	ZINC000182109347	327761385	/nfs/dbraw/zinc/76/13/85/327761385.db2.gz	YDWICYQMSMULHV-UHFFFAOYSA-N	-1	3	364.402	2.355	20	30		FEEDHM
N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H](O)Cc2ccccc2)c1	ZINC000184874668	327886788	/nfs/dbraw/zinc/88/67/88/327886788.db2.gz	VNYZUQICRXAQMJ-AWEZNQCLSA-N	-1	3	350.827	2.094	20	30		FEEDHM
CN(CCC[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)CC(F)(F)F	ZINC000186285497	327955372	/nfs/dbraw/zinc/95/53/72/327955372.db2.gz	ZFXJUPZJOSKZPH-UHFFFAOYSA-N	-1	3	369.796	2.374	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(-c2nnco2)cc1	ZINC000044575538	324561776	/nfs/dbraw/zinc/56/17/76/324561776.db2.gz	WJPUVCWVHNEGNW-UHFFFAOYSA-N	-1	3	363.377	2.485	20	30		FEEDHM
COC(=O)Cc1nnc(NC(=O)c2ccccc2-c2ccccc2C#N)[n-]1	ZINC000118662468	326096201	/nfs/dbraw/zinc/09/62/01/326096201.db2.gz	QJMKMCAECSHMNN-UHFFFAOYSA-N	-1	3	361.361	2.311	20	30		FEEDHM
COC(=O)Cc1n[n-]c(NC(=O)c2ccccc2-c2ccccc2C#N)n1	ZINC000118662468	326096203	/nfs/dbraw/zinc/09/62/03/326096203.db2.gz	QJMKMCAECSHMNN-UHFFFAOYSA-N	-1	3	361.361	2.311	20	30		FEEDHM
COC(=O)Cc1nc(NC(=O)c2ccccc2-c2ccccc2C#N)n[n-]1	ZINC000118662468	326096205	/nfs/dbraw/zinc/09/62/05/326096205.db2.gz	QJMKMCAECSHMNN-UHFFFAOYSA-N	-1	3	361.361	2.311	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2	ZINC000121817292	326370049	/nfs/dbraw/zinc/37/00/49/326370049.db2.gz	KCGUYUYFEMJRPW-IPELMVKDSA-N	-1	3	369.465	2.260	20	30		FEEDHM
CC(C)[C@H](O)CC[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000122066116	326382633	/nfs/dbraw/zinc/38/26/33/326382633.db2.gz	BTOZEFNKAAXSDQ-GFCCVEGCSA-N	-1	3	350.362	2.262	20	30		FEEDHM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]CCc1cc2ccccc2[nH]1	ZINC000128251627	326520633	/nfs/dbraw/zinc/52/06/33/326520633.db2.gz	ZHZORMNACGZADM-UHFFFAOYSA-N	-1	3	370.390	2.469	20	30		FEEDHM
N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@@H](CO)Cc1c[nH]c2ccccc12	ZINC000161242906	326992886	/nfs/dbraw/zinc/99/28/86/326992886.db2.gz	OZCUKEOAZRYULR-OAHLLOKOSA-N	-1	3	373.409	2.061	20	30		FEEDHM
COC[C@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1ccc(C)o1	ZINC000173704542	327278187	/nfs/dbraw/zinc/27/81/87/327278187.db2.gz	QJYRPEVEBGBQJK-INIZCTEOSA-N	-1	3	357.410	2.201	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)c1nc(C(C)(C)C)no1	ZINC000174669468	327342529	/nfs/dbraw/zinc/34/25/29/327342529.db2.gz	MBZXHMRJEMZECL-LBPRGKRZSA-N	-1	3	371.441	2.354	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)C(=O)Nc1ccccc1	ZINC000264830504	329065293	/nfs/dbraw/zinc/06/52/93/329065293.db2.gz	LHOHPHPIRFJUJD-AWEZNQCLSA-N	-1	3	366.421	2.352	20	30		FEEDHM
N#Cc1ccc(OC2CCC(NC(=O)c3c([O-])cccc3O)CC2)nc1	ZINC000271232980	329675470	/nfs/dbraw/zinc/67/54/70/329675470.db2.gz	ABFXIBIZQJWYJZ-UHFFFAOYSA-N	-1	3	353.378	2.484	20	30		FEEDHM
COc1cccc(C[N-]S(=O)(=O)c2ccc(F)cc2C#N)c1OC	ZINC000156625260	545640513	/nfs/dbraw/zinc/64/05/13/545640513.db2.gz	HAJLHBBXGPGTMX-UHFFFAOYSA-N	-1	3	350.371	2.193	20	30		FEEDHM
CCOC(=O)c1sc([C@@H](C)[N-]S(=O)(=O)CC2(C#N)CCC2)nc1C	ZINC000477562454	561147998	/nfs/dbraw/zinc/14/79/98/561147998.db2.gz	WGUQIDNJLRDITK-LLVKDONJSA-N	-1	3	371.484	2.303	20	30		FEEDHM
COc1cc(Br)c(S(=O)(=O)[N-][C@H](C)C#N)cc1Cl	ZINC000160640193	546059280	/nfs/dbraw/zinc/05/92/80/546059280.db2.gz	NUVGQJSAVCZMSO-ZCFIWIBFSA-N	-1	3	353.625	2.301	20	30		FEEDHM
CCc1noc(CC)c1C[N-]S(=O)(=O)Cc1ccc(C#N)cc1F	ZINC000480743056	561215748	/nfs/dbraw/zinc/21/57/48/561215748.db2.gz	YFKNPEJMJOTCNJ-UHFFFAOYSA-N	-1	3	351.403	2.430	20	30		FEEDHM
CCc1cnc(C[N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)o1	ZINC000480875204	561219115	/nfs/dbraw/zinc/21/91/15/561219115.db2.gz	ABIPRZFTNJIDCB-UHFFFAOYSA-N	-1	3	370.228	2.350	20	30		FEEDHM
Cc1c(C#N)cccc1NC(=O)NCC[N-]S(=O)(=O)c1cccs1	ZINC000178806958	546852764	/nfs/dbraw/zinc/85/27/64/546852764.db2.gz	SIMXQLYLCDLMMH-UHFFFAOYSA-N	-1	3	364.452	2.028	20	30		FEEDHM
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@]1(C#N)CCC[C@H](C)C1	ZINC000182013614	547422566	/nfs/dbraw/zinc/42/25/66/547422566.db2.gz	ODSRUMIMZSHIAP-NHYWBVRUSA-N	-1	3	353.400	2.354	20	30		FEEDHM
N#CCN(CC#N)C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1	ZINC000182272787	547464951	/nfs/dbraw/zinc/46/49/51/547464951.db2.gz	SVXIFMSBZYWSJR-GOSISDBHSA-N	-1	3	362.389	2.129	20	30		FEEDHM
N#Cc1ccc(CN2CCCN(C(=O)c3cccc4[n-]nnc43)CC2)cc1	ZINC000182687091	547533663	/nfs/dbraw/zinc/53/36/63/547533663.db2.gz	NSLLKGSYXRNVIQ-UHFFFAOYSA-N	-1	3	360.421	2.178	20	30		FEEDHM
N#Cc1ccc(CN2CCCN(C(=O)c3cccc4nn[n-]c43)CC2)cc1	ZINC000182687091	547533667	/nfs/dbraw/zinc/53/36/67/547533667.db2.gz	NSLLKGSYXRNVIQ-UHFFFAOYSA-N	-1	3	360.421	2.178	20	30		FEEDHM
COC(=O)c1cc(S(=O)(=O)[N-][C@@]2(C#N)CCc3ccccc3C2)c(C)o1	ZINC000185150732	547941816	/nfs/dbraw/zinc/94/18/16/547941816.db2.gz	VOBXTSNZRORBPZ-SFHVURJKSA-N	-1	3	374.418	2.104	20	30		FEEDHM
COc1ccccc1[C@](N)(C(=O)[N-]CC(F)(F)C(F)F)C(F)(F)F	ZINC000485466848	561319901	/nfs/dbraw/zinc/31/99/01/561319901.db2.gz	QAKLNVHHMBMFGV-LBPRGKRZSA-N	-1	3	362.245	2.428	20	30		FEEDHM
C[C@@H](C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1	ZINC000188099486	548271744	/nfs/dbraw/zinc/27/17/44/548271744.db2.gz	SPLDMOMZCBQLCI-WCQYABFASA-N	-1	3	358.847	2.478	20	30		FEEDHM
COc1cccc(C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)c1[O-]	ZINC000192935803	548376757	/nfs/dbraw/zinc/37/67/57/548376757.db2.gz	DFMWSFONZDAMCS-QGZVFWFLSA-N	-1	3	351.406	2.423	20	30		FEEDHM
C=CCCCCCN1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1	ZINC000489044264	561402097	/nfs/dbraw/zinc/40/20/97/561402097.db2.gz	PIRGWVOLMKDMDX-UHFFFAOYSA-N	-1	3	357.442	2.184	20	30		FEEDHM
COC(=O)[C@@H](C)[C@H]([N-]S(=O)(=O)c1cnc(C)c(C#N)c1)c1ccccc1	ZINC000489578105	561414611	/nfs/dbraw/zinc/41/46/11/561414611.db2.gz	AJXGVOIZTJJIPU-SJCJKPOMSA-N	-1	3	373.434	2.090	20	30		FEEDHM
C=CCCCS(=O)(=O)[N-][C@H]1CN(c2ccc(Br)cc2)C1=O	ZINC000490450191	561433420	/nfs/dbraw/zinc/43/34/20/561433420.db2.gz	AGPUSPOBRHJVJN-ZDUSSCGKSA-N	-1	3	373.272	2.050	20	30		FEEDHM
CC(C)CCN(CCC#N)C(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1	ZINC000264127715	549982462	/nfs/dbraw/zinc/98/24/62/549982462.db2.gz	YDNKNXIYRHRVPK-CYBMUJFWSA-N	-1	3	357.501	2.203	20	30		FEEDHM
N#Cc1ccc([N-]S(=O)(=O)c2ccccc2Cn2cncn2)c(F)c1	ZINC000493078716	561454333	/nfs/dbraw/zinc/45/43/33/561454333.db2.gz	KYVYMQIPCVWMJP-UHFFFAOYSA-N	-1	3	357.370	2.138	20	30		FEEDHM
CC(C)CO[N-]C(=O)Nc1cccc(S(=O)(=O)N=C2CCCN2C)c1	ZINC000269685527	550217038	/nfs/dbraw/zinc/21/70/38/550217038.db2.gz	MHPZZXFBNROECL-XDJHFCHBSA-N	-1	3	368.459	2.209	20	30		FEEDHM
Cc1ncc(CO)c(/C=N/C[C@H]2CC(=O)N(Cc3ccccc3)C2)c1[O-]	ZINC000270420854	550270750	/nfs/dbraw/zinc/27/07/50/550270750.db2.gz	LBTPDNMJKDPNAQ-PPAWOMOGSA-N	-1	3	353.422	2.056	20	30		FEEDHM
C[C@@]1(c2ccc(-c3noc(C4(C#N)CCCC4)n3)cc2)NC(=O)[N-]C1=O	ZINC000273849194	550513603	/nfs/dbraw/zinc/51/36/03/550513603.db2.gz	YBGJKIZZJVMILT-KRWDZBQOSA-N	-1	3	351.366	2.127	20	30		FEEDHM
CCOC(=O)c1c(C2CC2)csc1[N-]C(=O)C(=O)N(C)C[C@H](C)C#N	ZINC000275655234	550573315	/nfs/dbraw/zinc/57/33/15/550573315.db2.gz	HBRHZNXXPVXFTQ-SNVBAGLBSA-N	-1	3	363.439	2.359	20	30		FEEDHM
COC(=O)NCCc1ccc(S(=O)(=O)[N-][C@@](C)(C#N)C(C)(C)C)s1	ZINC000276222456	550577607	/nfs/dbraw/zinc/57/76/07/550577607.db2.gz	FYUAWKSLFDCDIL-HNNXBMFYSA-N	-1	3	373.500	2.253	20	30		FEEDHM
CC1CCN(c2ccc(C[N-]S(=O)(=O)c3cccnc3C#N)cn2)CC1	ZINC000277045046	550625530	/nfs/dbraw/zinc/62/55/30/550625530.db2.gz	PREWGBXHYDGZEH-UHFFFAOYSA-N	-1	3	371.466	2.063	20	30		FEEDHM
C=CCCCNC(=O)[C@@H](CCSC)[N-]S(=O)(=O)c1ccccc1F	ZINC000279272078	550872090	/nfs/dbraw/zinc/87/20/90/550872090.db2.gz	VNNAYMVKDXXEDV-CQSZACIVSA-N	-1	3	374.503	2.308	20	30		FEEDHM
N#Cc1ccc(CN2CCC(c3nc(=O)[n-][nH]3)CC2)c(Br)c1	ZINC000281057152	551058927	/nfs/dbraw/zinc/05/89/27/551058927.db2.gz	RKXHLYAEILUSTI-UHFFFAOYSA-N	-1	3	362.231	2.112	20	30		FEEDHM
N#Cc1ccc(OCCN2CCC(C[N-]C(=O)C(F)(F)F)CC2)cc1	ZINC000281391099	551091257	/nfs/dbraw/zinc/09/12/57/551091257.db2.gz	PURAQKXKPVITQP-UHFFFAOYSA-N	-1	3	355.360	2.328	20	30		FEEDHM
N#CC1(CCCN2CCN(C(=O)c3ccccc3[O-])CC2)CCOCC1	ZINC000282090782	551178997	/nfs/dbraw/zinc/17/89/97/551178997.db2.gz	VFPPUEQPDDVQOY-UHFFFAOYSA-N	-1	3	357.454	2.251	20	30		FEEDHM
CC1([N-]C(=S)C(C(=O)c2nccs2)[n+]2cc([O-])ccc2F)CC1	ZINC000284067077	551477902	/nfs/dbraw/zinc/47/79/02/551477902.db2.gz	JXNBVSCKXHPCMW-UHFFFAOYSA-O	-1	3	352.436	2.356	20	30		FEEDHM
C#CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cnc(NC(C)=O)s1	ZINC000286682510	551914034	/nfs/dbraw/zinc/91/40/34/551914034.db2.gz	LHHKDXISBLWVMV-AWEZNQCLSA-N	-1	3	363.464	2.014	20	30		FEEDHM
CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C	ZINC000288472129	552159418	/nfs/dbraw/zinc/15/94/18/552159418.db2.gz	OTHCLINCRWEUNR-XBRIKIQZSA-N	-1	3	355.438	2.090	20	30		FEEDHM
COC(=O)CCCO[N-]C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1	ZINC000288788042	552212843	/nfs/dbraw/zinc/21/28/43/552212843.db2.gz	JVBJEZOLIQUIST-UHFFFAOYSA-N	-1	3	361.276	2.463	20	30		FEEDHM
C=C[C@@](C)(CCOC)c1nc(-c2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)no1	ZINC000288968933	552245386	/nfs/dbraw/zinc/24/53/86/552245386.db2.gz	QMJFMIXCUMFDJI-OALUTQOASA-N	-1	3	370.409	2.271	20	30		FEEDHM
CC(C)(CO)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)nc1)c1cccs1	ZINC000289260125	552290669	/nfs/dbraw/zinc/29/06/69/552290669.db2.gz	ABCLSWWHZJOCMQ-AWEZNQCLSA-N	-1	3	351.453	2.053	20	30		FEEDHM
CC(C)(CO)[C@@H]([N-]S(=O)(=O)c1cccnc1C#N)c1cccs1	ZINC000289792002	552379233	/nfs/dbraw/zinc/37/92/33/552379233.db2.gz	ITIOXUMYNOIDRA-AWEZNQCLSA-N	-1	3	351.453	2.053	20	30		FEEDHM
C=C[C@](C)(CCOC)c1nc(-c2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)no1	ZINC000290210278	552442834	/nfs/dbraw/zinc/44/28/34/552442834.db2.gz	OOXQYZHJEXVTIL-MOPGFXCFSA-N	-1	3	370.409	2.271	20	30		FEEDHM
C=CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCC2CC2)cc1	ZINC000291893925	552672562	/nfs/dbraw/zinc/67/25/62/552672562.db2.gz	PGHYMHDOPHOBHC-UHFFFAOYSA-N	-1	3	358.485	2.083	20	30		FEEDHM
C=CCC(F)(F)C(=O)[N-][C@H]1CCN(Cc2ccc(OC)cc2OC)C1=O	ZINC000293834332	552860793	/nfs/dbraw/zinc/86/07/93/552860793.db2.gz	AUHVRPBHMHNGQY-AWEZNQCLSA-N	-1	3	368.380	2.132	20	30		FEEDHM
N#C[C@@]1(C(=O)N2CCN(C(=O)c3cccc([O-])c3)CC2)CC12CCCC2	ZINC000295395808	552999642	/nfs/dbraw/zinc/99/96/42/552999642.db2.gz	YVJFHORDFIAHJG-HXUWFJFHSA-N	-1	3	353.422	2.151	20	30		FEEDHM
N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)[N-]C2=NCCS2)CC1	ZINC000298312236	553411069	/nfs/dbraw/zinc/41/10/69/553411069.db2.gz	IZKPCRZXENBKIP-UHFFFAOYSA-N	-1	3	371.422	2.242	20	30		FEEDHM
N#Cc1cccc([C@H]2CN(C(=O)c3cc(F)cc4[n-]nnc43)CCO2)c1	ZINC000503519867	561643335	/nfs/dbraw/zinc/64/33/35/561643335.db2.gz	XHCREYNCSOWBFH-MRXNPFEDSA-N	-1	3	351.341	2.182	20	30		FEEDHM
N#Cc1cccc([C@H]2CN(C(=O)c3cc(F)cc4nn[n-]c43)CCO2)c1	ZINC000503519867	561643336	/nfs/dbraw/zinc/64/33/36/561643336.db2.gz	XHCREYNCSOWBFH-MRXNPFEDSA-N	-1	3	351.341	2.182	20	30		FEEDHM
N#Cc1cccc([C@H]2CN(C(=O)c3cc(F)cc4n[n-]nc43)CCO2)c1	ZINC000503519867	561643337	/nfs/dbraw/zinc/64/33/37/561643337.db2.gz	XHCREYNCSOWBFH-MRXNPFEDSA-N	-1	3	351.341	2.182	20	30		FEEDHM
COC(=O)c1ccc(C[N-]S(=O)(=O)c2ccccc2C#N)nc1C1CC1	ZINC000503799526	561648378	/nfs/dbraw/zinc/64/83/78/561648378.db2.gz	LWVIFGWUOAWFKE-UHFFFAOYSA-N	-1	3	371.418	2.096	20	30		FEEDHM
CCC[C@H](C)CS(=O)(=O)[N-][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000503777018	561648164	/nfs/dbraw/zinc/64/81/64/561648164.db2.gz	SXGOPRGRFQMXRD-WMLDXEAASA-N	-1	3	363.483	2.409	20	30		FEEDHM
Cc1nc([N-]C(=O)c2nc3nc(C)cc(C)n3n2)sc1SCC#N	ZINC000504819536	561662610	/nfs/dbraw/zinc/66/26/10/561662610.db2.gz	QSBDIFPHSUVZCG-UHFFFAOYSA-N	-1	3	359.440	2.374	20	30		FEEDHM
O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)[C@@H]1CCNC(=O)C1	ZINC000328706310	553810316	/nfs/dbraw/zinc/81/03/16/553810316.db2.gz	AHNCXFOERDCLSD-MRVPVSSYSA-N	-1	3	365.864	2.003	20	30		FEEDHM
CS(=O)(=O)[N-]c1cc(NC(=O)c2ccc(F)c(C#N)c2)ccc1F	ZINC000505953324	561685937	/nfs/dbraw/zinc/68/59/37/561685937.db2.gz	HIRJTXINAQJKTE-UHFFFAOYSA-N	-1	3	351.334	2.460	20	30		FEEDHM
C[C@]1(C[C@@H]2CCCN2C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)NC(=O)[N-]C1=O	ZINC000329522307	553961577	/nfs/dbraw/zinc/96/15/77/553961577.db2.gz	GBWJSZHSJVZPRA-KHSSZTOVSA-N	-1	3	364.446	2.355	20	30		FEEDHM
CC(=O)N1CCC(CNC(=O)c2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)CC1	ZINC000330272384	554096961	/nfs/dbraw/zinc/09/69/61/554096961.db2.gz	XODCQGJGHCSNFV-IBGZPJMESA-N	-1	3	372.425	2.349	20	30		FEEDHM
N#C[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1	ZINC000331113639	554215698	/nfs/dbraw/zinc/21/56/98/554215698.db2.gz	JPKHSMQLQANEFF-PELKAZGASA-N	-1	3	374.216	2.328	20	30		FEEDHM
CO[C@H](C)CS(=O)(=O)[N-]c1ccc(OCC(F)(F)F)c(C#N)c1	ZINC000509104260	561785065	/nfs/dbraw/zinc/78/50/65/561785065.db2.gz	UUSRNNUESFOLAT-SECBINFHSA-N	-1	3	352.334	2.276	20	30		FEEDHM
Cn1cc(C#N)c(=NC(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)[n-]1	ZINC000610561132	554528377	/nfs/dbraw/zinc/52/83/77/554528377.db2.gz	PPTLJFXAJWZLFB-ZDUSSCGKSA-N	-1	3	358.471	2.387	20	30		FEEDHM
Cn1cc(C#N)c(=NC(=O)NCC2(N3CCOC(C)(C)C3)CCCCC2)[n-]1	ZINC000610565055	554530779	/nfs/dbraw/zinc/53/07/79/554530779.db2.gz	OQSJDQKZCLDYGE-UHFFFAOYSA-N	-1	3	374.489	2.227	20	30		FEEDHM
N#CC1(CS(=O)(=O)[N-][C@@H]2CCCN(C3CCCCC3)C2=O)CCCC1	ZINC000333118493	554574864	/nfs/dbraw/zinc/57/48/64/554574864.db2.gz	UPKNDVURQPXLSX-MRXNPFEDSA-N	-1	3	367.515	2.313	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)c1cnn(C)c1)c1nc(-c2ccc(C#N)cc2)cs1	ZINC000361811574	554936243	/nfs/dbraw/zinc/93/62/43/554936243.db2.gz	INBZZLYZXJRQST-LLVKDONJSA-N	-1	3	373.463	2.455	20	30		FEEDHM
CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)[C@@]12CCCO2	ZINC000363975562	555225643	/nfs/dbraw/zinc/22/56/43/555225643.db2.gz	PGPDXGXMYORNSZ-OAGGEKHMSA-N	-1	3	370.858	2.217	20	30		FEEDHM
N#Cc1ccc(N2CCC([N-]S(=O)(=O)c3ccccc3F)CC2)nc1	ZINC000364735303	555389028	/nfs/dbraw/zinc/38/90/28/555389028.db2.gz	FBDZKNLWUPTFPR-UHFFFAOYSA-N	-1	3	360.414	2.040	20	30		FEEDHM
CS(=O)(=O)[N-]c1cc(C(=O)NCC#Cc2cccc(F)c2)ccc1F	ZINC000513215117	561929663	/nfs/dbraw/zinc/92/96/63/561929663.db2.gz	TZSZHVOKQSZARD-UHFFFAOYSA-N	-1	3	364.373	2.118	20	30		FEEDHM
CC(C)(C#N)CCS(=O)(=O)[N-][C@@H]1CCN(c2ccc(Cl)cc2)C1=O	ZINC000367691083	556115309	/nfs/dbraw/zinc/11/53/09/556115309.db2.gz	ZZPNBEXPWHSUGZ-CQSZACIVSA-N	-1	3	369.874	2.305	20	30		FEEDHM
CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(=O)[n-]c(C2CC2)n1	ZINC000515310484	562004603	/nfs/dbraw/zinc/00/46/03/562004603.db2.gz	SDBHUHGARQPEHI-UHFFFAOYSA-N	-1	3	365.437	2.135	20	30		FEEDHM
C#CCN1CCC(C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)CC1	ZINC000368867988	556433559	/nfs/dbraw/zinc/43/35/59/556433559.db2.gz	TWYCZUDAEPIAMC-UHFFFAOYSA-N	-1	3	350.422	2.029	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-][C@H](c1ccccc1)c1ccncc1	ZINC000370648246	556930931	/nfs/dbraw/zinc/93/09/31/556930931.db2.gz	OZKHXOWRBKRVQE-GOSISDBHSA-N	-1	3	350.403	2.416	20	30		FEEDHM
Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccn(C2CCN(C)CC2)n1	ZINC000373204891	557649414	/nfs/dbraw/zinc/64/94/14/557649414.db2.gz	PMMRRVOKMPWBCO-UHFFFAOYSA-N	-1	3	359.455	2.131	20	30		FEEDHM
C=CC[C@H](CC)NC(=O)N1CCC[C@H](c2n[nH]cc2[N-]S(C)(=O)=O)C1	ZINC000374279233	557857013	/nfs/dbraw/zinc/85/70/13/557857013.db2.gz	JNLDYWUNVFFQRS-STQMWFEESA-N	-1	3	369.491	2.025	20	30		FEEDHM
C=CC[C@H](CC)NC(=O)N1CCC[C@H](c2[nH]ncc2[N-]S(C)(=O)=O)C1	ZINC000374279233	557857015	/nfs/dbraw/zinc/85/70/15/557857015.db2.gz	JNLDYWUNVFFQRS-STQMWFEESA-N	-1	3	369.491	2.025	20	30		FEEDHM
CCN(C[C@H](C)C#N)S(=O)(=O)[N-]Cc1nnc(-c2ccccc2)s1	ZINC000374459632	557886873	/nfs/dbraw/zinc/88/68/73/557886873.db2.gz	CPHNNPPLKDOZFS-GFCCVEGCSA-N	-1	3	365.484	2.021	20	30		FEEDHM
Cc1cn2c(n1)CC[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C2	ZINC000374847122	557940212	/nfs/dbraw/zinc/94/02/12/557940212.db2.gz	QNVGDXOQRWHNIV-LBPRGKRZSA-N	-1	3	350.831	2.010	20	30		FEEDHM
Cc1cccc(CN2CCC([N-]S(=O)(=O)c3ccc(C#N)o3)CC2)c1	ZINC000376247755	558147468	/nfs/dbraw/zinc/14/74/68/558147468.db2.gz	PLCMJJRWTAUFMR-UHFFFAOYSA-N	-1	3	359.451	2.403	20	30		FEEDHM
C[C@]1(C[N-]S(=O)(=O)c2cccnc2C#N)CCCN1Cc1ccccc1	ZINC000398114422	558626195	/nfs/dbraw/zinc/62/61/95/558626195.db2.gz	TYOWRQPIMNOTTM-LJQANCHMSA-N	-1	3	370.478	2.286	20	30		FEEDHM
CCN(CCC#N)S(=O)(=O)[N-][C@@H](c1ccco1)c1ccccc1OC	ZINC000409501299	558698053	/nfs/dbraw/zinc/69/80/53/558698053.db2.gz	LTYUYWMILIVMFE-QGZVFWFLSA-N	-1	3	363.439	2.448	20	30		FEEDHM
CCN(CCC#N)S(=O)(=O)[N-][C@H](C)c1nc(-c2cccc(F)c2)no1	ZINC000410148915	558742193	/nfs/dbraw/zinc/74/21/93/558742193.db2.gz	SWEBXYSZBGOWLX-LLVKDONJSA-N	-1	3	367.406	2.007	20	30		FEEDHM
CN(CC(F)F)C(=O)C(=O)[N-][C@H](c1cccc(F)c1F)C(F)(F)F	ZINC000411207831	558853471	/nfs/dbraw/zinc/85/34/71/558853471.db2.gz	JDTALWMYSCPGTB-SNVBAGLBSA-N	-1	3	360.229	2.408	20	30		FEEDHM
C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)C[C@H]2CCCCO2)cc1	ZINC000525365606	562246805	/nfs/dbraw/zinc/24/68/05/562246805.db2.gz	OXMTYQKXSSWAAK-OAHLLOKOSA-N	-1	3	353.444	2.305	20	30		FEEDHM
N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CCc1cn2c(n1)SCC2	ZINC000527043134	562274402	/nfs/dbraw/zinc/27/44/02/562274402.db2.gz	XZCVBQBDNRBWSG-UHFFFAOYSA-N	-1	3	368.871	2.035	20	30		FEEDHM
N#Cc1ccc(Br)cc1S(=O)(=O)[N-]CC1CCOCC1	ZINC000416385796	559309321	/nfs/dbraw/zinc/30/93/21/559309321.db2.gz	QHZKBEFZQRTTLQ-UHFFFAOYSA-N	-1	3	359.245	2.026	20	30		FEEDHM
C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1cccc(Cl)c1C(=O)OC	ZINC000416495220	559317655	/nfs/dbraw/zinc/31/76/55/559317655.db2.gz	MFFKLOYUOZRRRH-NEPJUHHUSA-N	-1	3	359.831	2.139	20	30		FEEDHM
CCn1ccc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)n1	ZINC000416577830	559323023	/nfs/dbraw/zinc/32/30/23/559323023.db2.gz	GFHDZRNYNZSVGM-UHFFFAOYSA-N	-1	3	358.345	2.272	20	30		FEEDHM
N#Cc1c(Br)cccc1S(=O)(=O)[N-]CC1(C#N)CCC1	ZINC000416671728	559328912	/nfs/dbraw/zinc/32/89/12/559328912.db2.gz	PDMWIZDNGOWSTD-UHFFFAOYSA-N	-1	3	354.229	2.293	20	30		FEEDHM
C=CC[C@@H](CC)NC(=O)C(=O)[N-]c1sc2c(c1C(=O)OC)CCOC2	ZINC000419718564	559455892	/nfs/dbraw/zinc/45/58/92/559455892.db2.gz	WEXWCYKNXLUESK-SNVBAGLBSA-N	-1	3	366.439	2.017	20	30		FEEDHM
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCC(C)(C)C(=O)[O-]	ZINC000424393998	559662853	/nfs/dbraw/zinc/66/28/53/559662853.db2.gz	BRRMFNFBOKCXKX-UHFFFAOYSA-N	-1	3	360.458	2.132	20	30		FEEDHM
CC(C)C(=O)Nc1ccc(C[N-]S(=O)(=O)c2cccnc2C#N)cc1	ZINC000428260661	559772566	/nfs/dbraw/zinc/77/25/66/559772566.db2.gz	RXVDAJFDOMTWGD-UHFFFAOYSA-N	-1	3	358.423	2.026	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]Cc2cn3cc(Cl)ccc3n2)s1	ZINC000435425516	559922539	/nfs/dbraw/zinc/92/25/39/559922539.db2.gz	DNKQJRHTHURKKC-UHFFFAOYSA-N	-1	3	352.828	2.399	20	30		FEEDHM
COc1ccc(CC[N-]S(=O)(=O)c2ccc(C#N)s2)c(OC)c1	ZINC000435436138	559923049	/nfs/dbraw/zinc/92/30/49/559923049.db2.gz	DKPJAKRBYAKDDV-UHFFFAOYSA-N	-1	3	352.437	2.158	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]CCc2cc(F)cc3c2OCOC3)s1	ZINC000435441340	559923285	/nfs/dbraw/zinc/92/32/85/559923285.db2.gz	BLOAYALIQZESKN-UHFFFAOYSA-N	-1	3	368.411	2.146	20	30		FEEDHM
COC(=O)[C@H](C[N-]S(=O)(=O)c1ccc(C#N)s1)c1ccc(C)cc1	ZINC000435443234	559923428	/nfs/dbraw/zinc/92/34/28/559923428.db2.gz	MTGYQHDIOPJDSO-CQSZACIVSA-N	-1	3	364.448	2.163	20	30		FEEDHM
C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cc(F)ccc1OCCOC	ZINC000435588723	559925650	/nfs/dbraw/zinc/92/56/50/559925650.db2.gz	ODBYUKOJYZLAHW-CXAGYDPISA-N	-1	3	373.446	2.110	20	30		FEEDHM
Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(C)C2(C#N)CCC2)c1	ZINC000436673605	559948308	/nfs/dbraw/zinc/94/83/08/559948308.db2.gz	RNTYCYMWOMBNKP-UHFFFAOYSA-N	-1	3	354.366	2.459	20	30		FEEDHM
N#Cc1cc(C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)ccc1F	ZINC000436756438	559951018	/nfs/dbraw/zinc/95/10/18/559951018.db2.gz	QWOJPXKDUGLUGB-UHFFFAOYSA-N	-1	3	353.353	2.001	20	30		FEEDHM
N#Cc1ccccc1S(=O)(=O)[N-][C@H](Cc1ccccc1)[C@H](O)C(F)F	ZINC000443218888	560074915	/nfs/dbraw/zinc/07/49/15/560074915.db2.gz	UPVKBGVMKSHYLG-ZBFHGGJFSA-N	-1	3	366.389	2.074	20	30		FEEDHM
COC(=O)C1([N-]S(=O)(=O)Cc2ccc(F)cc2C#N)CCC(C)CC1	ZINC000451078477	560285918	/nfs/dbraw/zinc/28/59/18/560285918.db2.gz	GEQVHVSXZZNOAW-UHFFFAOYSA-N	-1	3	368.430	2.239	20	30		FEEDHM
CC(C)c1nnc(C[N-]S(=O)(=O)Cc2ccc(F)cc2C#N)s1	ZINC000451297456	560298710	/nfs/dbraw/zinc/29/87/10/560298710.db2.gz	OMPVLQCAAJXAKU-UHFFFAOYSA-N	-1	3	354.432	2.292	20	30		FEEDHM
C=CCC[C@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])C(=O)OCC	ZINC000451987268	560342788	/nfs/dbraw/zinc/34/27/88/560342788.db2.gz	GGXSFMQOQLAZOM-LBPRGKRZSA-N	-1	3	356.400	2.079	20	30		FEEDHM
C=CCC[C@@H](CO)[N-]S(=O)(=O)c1sc(C)cc1Br	ZINC000452017230	560345641	/nfs/dbraw/zinc/34/56/41/560345641.db2.gz	AITKMEIKPFSRIP-VIFPVBQESA-N	-1	3	354.291	2.424	20	30		FEEDHM
C=C(CC)CNS(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)c(F)c1	ZINC000452046388	560347703	/nfs/dbraw/zinc/34/77/03/560347703.db2.gz	WALWEHLLDZYBMX-UHFFFAOYSA-N	-1	3	364.464	2.222	20	30		FEEDHM
N#CCc1cccc(NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)c1	ZINC000455920671	560500334	/nfs/dbraw/zinc/50/03/34/560500334.db2.gz	NTNGGGHHGBDPNY-UHFFFAOYSA-N	-1	3	364.405	2.448	20	30		FEEDHM
COC(=O)[C@H](C[C@H]1CCCc2ccccc21)[N-]S(=O)(=O)CCCC#N	ZINC000460922586	560755976	/nfs/dbraw/zinc/75/59/76/560755976.db2.gz	BMHVMEGSPASRCB-WBVHZDCISA-N	-1	3	364.467	2.261	20	30		FEEDHM
C[C@@H]1CCC[C@@H](C)N1CC[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000467154694	560905061	/nfs/dbraw/zinc/90/50/61/560905061.db2.gz	ZTTPLMLPRGHERJ-VXGBXAGGSA-N	-1	3	357.426	2.378	20	30		FEEDHM
N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2COc3ccccc3O2)c1	ZINC000475551287	561099846	/nfs/dbraw/zinc/09/98/46/561099846.db2.gz	XWATVIJGWXVVAA-LBPRGKRZSA-N	-1	3	364.810	2.330	20	30		FEEDHM
CN1CCC(n2ccc([N-]S(=O)(=O)c3ccccc3CC#N)n2)CC1	ZINC000530284613	562405377	/nfs/dbraw/zinc/40/53/77/562405377.db2.gz	SUOYRTMHJRNFSY-UHFFFAOYSA-N	-1	3	359.455	2.017	20	30		FEEDHM
COc1ccccc1[C@H](CO)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1	ZINC000533551705	562512853	/nfs/dbraw/zinc/51/28/53/562512853.db2.gz	OFRUXIUKQVVGPP-HNNXBMFYSA-N	-1	3	366.826	2.232	20	30		FEEDHM
C=C(C)[C@H](CC(=O)Nc1cc(N2CCCS2(=O)=O)ccc1[O-])OCC	ZINC000533964464	562522398	/nfs/dbraw/zinc/52/23/98/562522398.db2.gz	SWDQISXROUTYMQ-INIZCTEOSA-N	-1	3	368.455	2.242	20	30		FEEDHM
COc1ccccc1C(=O)CNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C	ZINC000534210906	562527675	/nfs/dbraw/zinc/52/76/75/562527675.db2.gz	ITYONUARKCQHAJ-UHFFFAOYSA-N	-1	3	367.405	2.216	20	30		FEEDHM
C=CCN(C(=O)c1cc(C2CC2)nc2c1c(=O)[n-]c(=O)n2CC)C1CC1	ZINC000536880618	562581634	/nfs/dbraw/zinc/58/16/34/562581634.db2.gz	CNKKQFMWCKOELC-UHFFFAOYSA-N	-1	3	354.410	2.185	20	30		FEEDHM
CSc1[n-]c(=O)c(C(=O)N[C@H]2CN(C)C[C@@H]2c2ccccc2)cc1C#N	ZINC000540901622	562596196	/nfs/dbraw/zinc/59/61/96/562596196.db2.gz	NSQVIEGTBTZYQG-CVEARBPZSA-N	-1	3	368.462	2.208	20	30		FEEDHM
C=CCSCCNC(=O)c1cc(C2CC2)nc2c1c(=O)[n-]c(=O)n2CC	ZINC000540959031	562598464	/nfs/dbraw/zinc/59/84/64/562598464.db2.gz	BDHDXHGNJXWTBH-UHFFFAOYSA-N	-1	3	374.466	2.043	20	30		FEEDHM
CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N(C)[C@H]1CCC[C@H]1C#N	ZINC000602073948	567916800	/nfs/dbraw/zinc/91/68/00/567916800.db2.gz	HOMSDTBMSYLSFD-RYUDHWBXSA-N	-1	3	363.439	2.322	20	30		FEEDHM
Cc1nc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)sc1SCC#N	ZINC000603908782	568178351	/nfs/dbraw/zinc/17/83/51/568178351.db2.gz	WQODGVCFBQINBR-UHFFFAOYSA-N	-1	3	351.369	2.328	20	30		FEEDHM
Cc1nnc(-c2cccc(C#N)c2)n1CCOc1ccc(-c2nn[n-]n2)cc1	ZINC000737524508	598828701	/nfs/dbraw/zinc/82/87/01/598828701.db2.gz	MGZIUHLIYDQJBH-UHFFFAOYSA-N	-1	3	372.392	2.384	20	30		FEEDHM
COC(=O)[C@@H](c1ccc(C#N)cc1)N(C)Cc1ccc(-c2nnn[n-]2)cc1	ZINC000736909510	598860175	/nfs/dbraw/zinc/86/01/75/598860175.db2.gz	QHAKJFIHJFAVQD-QGZVFWFLSA-N	-1	3	362.393	2.084	20	30		FEEDHM
COC(=O)[C@@H](c1ccc(C#N)cc1)N(C)Cc1ccc(-c2nn[n-]n2)cc1	ZINC000736909510	598860176	/nfs/dbraw/zinc/86/01/76/598860176.db2.gz	QHAKJFIHJFAVQD-QGZVFWFLSA-N	-1	3	362.393	2.084	20	30		FEEDHM
C[C@@H](Oc1ccc(F)c(F)c1)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1	ZINC000736174890	598917622	/nfs/dbraw/zinc/91/76/22/598917622.db2.gz	PKCRWRIOUAJGCP-SECBINFHSA-N	-1	3	370.319	2.423	20	30		FEEDHM
C[C@@H](Oc1ccc(F)c(F)c1)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1	ZINC000736174890	598917625	/nfs/dbraw/zinc/91/76/25/598917625.db2.gz	PKCRWRIOUAJGCP-SECBINFHSA-N	-1	3	370.319	2.423	20	30		FEEDHM
Fc1ccc(-n2cc(C=NNCc3ccc(-c4nnn[n-]4)cc3)cn2)cc1	ZINC000822761544	607252868	/nfs/dbraw/zinc/25/28/68/607252868.db2.gz	OQOCODBUHJJLFH-UHFFFAOYSA-N	-1	3	362.372	2.315	20	30		FEEDHM
Fc1ccc(-n2cc(C=NNCc3ccc(-c4nn[n-]n4)cc3)cn2)cc1	ZINC000822761544	607252869	/nfs/dbraw/zinc/25/28/69/607252869.db2.gz	OQOCODBUHJJLFH-UHFFFAOYSA-N	-1	3	362.372	2.315	20	30		FEEDHM
COc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc(OC)c1C	ZINC000737039761	598926083	/nfs/dbraw/zinc/92/60/83/598926083.db2.gz	BYHKVHRQOYRYGE-UHFFFAOYSA-N	-1	3	364.365	2.316	20	30		FEEDHM
COc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc(OC)c1C	ZINC000737039761	598926084	/nfs/dbraw/zinc/92/60/84/598926084.db2.gz	BYHKVHRQOYRYGE-UHFFFAOYSA-N	-1	3	364.365	2.316	20	30		FEEDHM
C#Cc1cccc(N(CC)S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)c1	ZINC000735391201	598930619	/nfs/dbraw/zinc/93/06/19/598930619.db2.gz	ONOJXDOYDPYVTE-UHFFFAOYSA-N	-1	3	367.434	2.372	20	30		FEEDHM
C#Cc1cccc(N(CC)S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)c1	ZINC000735391201	598930620	/nfs/dbraw/zinc/93/06/20/598930620.db2.gz	ONOJXDOYDPYVTE-UHFFFAOYSA-N	-1	3	367.434	2.372	20	30		FEEDHM
CCN(CC)c1ncc(C=NNCc2ccc(-c3nn[n-]n3)cc2)s1	ZINC000821197008	607253867	/nfs/dbraw/zinc/25/38/67/607253867.db2.gz	DPSUXEJSDLLLHB-UHFFFAOYSA-N	-1	3	356.459	2.293	20	30		FEEDHM
CN(C)c1nc(Cl)c(C=NNCc2ccc(-c3nnn[n-]3)cc2)s1	ZINC000821591019	607254061	/nfs/dbraw/zinc/25/40/61/607254061.db2.gz	QMLGKYGPDJPEQJ-UHFFFAOYSA-N	-1	3	362.850	2.166	20	30		FEEDHM
CN(C)c1nc(Cl)c(C=NNCc2ccc(-c3nn[n-]n3)cc2)s1	ZINC000821591019	607254062	/nfs/dbraw/zinc/25/40/62/607254062.db2.gz	QMLGKYGPDJPEQJ-UHFFFAOYSA-N	-1	3	362.850	2.166	20	30		FEEDHM
Cc1ccc(S(=O)(=O)CC(C)N=Nc2cccc(-c3nnn[n-]3)c2)cc1	ZINC000736039377	598977698	/nfs/dbraw/zinc/97/76/98/598977698.db2.gz	IWYKRUGWCZALSF-UHFFFAOYSA-N	-1	3	370.438	2.437	20	30		FEEDHM
Cc1ccc(S(=O)(=O)CC(C)N=Nc2cccc(-c3nn[n-]n3)c2)cc1	ZINC000736039377	598977700	/nfs/dbraw/zinc/97/77/00/598977700.db2.gz	IWYKRUGWCZALSF-UHFFFAOYSA-N	-1	3	370.438	2.437	20	30		FEEDHM
C=CCOCCCC(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1	ZINC000819751136	599150187	/nfs/dbraw/zinc/15/01/87/599150187.db2.gz	RKFANWUFDYQXGU-UHFFFAOYSA-N	-1	3	371.441	2.219	20	30		FEEDHM
Cc1cc(C)n([C@@H](C)CC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)n1	ZINC000737257827	599191474	/nfs/dbraw/zinc/19/14/74/599191474.db2.gz	VNATZIULLQPQPG-LBPRGKRZSA-N	-1	3	350.386	2.142	20	30		FEEDHM
Cc1cc(C)n([C@@H](C)CC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)n1	ZINC000737257827	599191477	/nfs/dbraw/zinc/19/14/77/599191477.db2.gz	VNATZIULLQPQPG-LBPRGKRZSA-N	-1	3	350.386	2.142	20	30		FEEDHM
N#Cc1cc(NC(=O)c2cc3c(s2)CCOC3)ccc1-c1nnn[n-]1	ZINC000737709443	599196136	/nfs/dbraw/zinc/19/61/36/599196136.db2.gz	OEUPVEFISLTHSB-UHFFFAOYSA-N	-1	3	352.379	2.125	20	30		FEEDHM
N#Cc1cc(NC(=O)c2cc3c(s2)CCOC3)ccc1-c1nn[n-]n1	ZINC000737709443	599196140	/nfs/dbraw/zinc/19/61/40/599196140.db2.gz	OEUPVEFISLTHSB-UHFFFAOYSA-N	-1	3	352.379	2.125	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2ccc(C(F)(F)F)cn2)cc1-c1nnn[n-]1	ZINC000737720084	599200293	/nfs/dbraw/zinc/20/02/93/599200293.db2.gz	YGFIFDQNQXDBIU-UHFFFAOYSA-N	-1	3	359.271	2.404	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2ccc(C(F)(F)F)cn2)cc1-c1nn[n-]n1	ZINC000737720084	599200294	/nfs/dbraw/zinc/20/02/94/599200294.db2.gz	YGFIFDQNQXDBIU-UHFFFAOYSA-N	-1	3	359.271	2.404	20	30		FEEDHM
C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@]1(C#N)CCC[C@@H](C)C1	ZINC000736244235	599201404	/nfs/dbraw/zinc/20/14/04/599201404.db2.gz	GABPSEMXOJVHMS-FHSNZYRGSA-N	-1	3	354.414	2.223	20	30		FEEDHM
C=CC[C@@H](C)NC(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1	ZINC000735409927	599213793	/nfs/dbraw/zinc/21/37/93/599213793.db2.gz	OWUYUPJRTODJEX-CYBMUJFWSA-N	-1	3	356.430	2.384	20	30		FEEDHM
N#CCn1cc(NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cn1	ZINC000737703922	598324619	/nfs/dbraw/zinc/32/46/19/598324619.db2.gz	COBNXOKSTMLTMK-UHFFFAOYSA-N	-1	3	359.806	2.049	20	30		FEEDHM
N#CCn1cc(NC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cn1	ZINC000737703922	598324621	/nfs/dbraw/zinc/32/46/21/598324621.db2.gz	COBNXOKSTMLTMK-UHFFFAOYSA-N	-1	3	359.806	2.049	20	30		FEEDHM
C=CCCC(=O)N1CCN(c2c(-c3nnn[n-]3)cnc3ccccc32)CC1	ZINC000735408531	598328265	/nfs/dbraw/zinc/32/82/65/598328265.db2.gz	NFHQUFQSNCSFRZ-UHFFFAOYSA-N	-1	3	363.425	2.030	20	30		FEEDHM
C=CCCC(=O)N1CCN(c2c(-c3nn[n-]n3)cnc3ccccc32)CC1	ZINC000735408531	598328267	/nfs/dbraw/zinc/32/82/67/598328267.db2.gz	NFHQUFQSNCSFRZ-UHFFFAOYSA-N	-1	3	363.425	2.030	20	30		FEEDHM
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1ccc(-c2nnn[n-]2)cn1	ZINC000735831786	598442392	/nfs/dbraw/zinc/44/23/92/598442392.db2.gz	VOLIFKDHXPJOLE-UHFFFAOYSA-N	-1	3	361.409	2.432	20	30		FEEDHM
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1ccc(-c2nn[n-]n2)cn1	ZINC000735831786	598442393	/nfs/dbraw/zinc/44/23/93/598442393.db2.gz	VOLIFKDHXPJOLE-UHFFFAOYSA-N	-1	3	361.409	2.432	20	30		FEEDHM
Cc1nc(C)c(-c2nnn[n-]2)c(SCc2ccc(OCC#N)cc2)n1	ZINC000737471052	598531933	/nfs/dbraw/zinc/53/19/33/598531933.db2.gz	MQZYAPNYSWEWFW-UHFFFAOYSA-N	-1	3	353.411	2.468	20	30		FEEDHM
Cc1nc(C)c(-c2nn[n-]n2)c(SCc2ccc(OCC#N)cc2)n1	ZINC000737471052	598531935	/nfs/dbraw/zinc/53/19/35/598531935.db2.gz	MQZYAPNYSWEWFW-UHFFFAOYSA-N	-1	3	353.411	2.468	20	30		FEEDHM
N#Cc1ccc(N2CCC[C@@H]2C(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1	ZINC000609168666	598570386	/nfs/dbraw/zinc/57/03/86/598570386.db2.gz	ALGYAYQZZQKSBU-QGZVFWFLSA-N	-1	3	359.393	2.346	20	30		FEEDHM
N#Cc1ccc(N2CCC[C@@H]2C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1	ZINC000609168666	598570388	/nfs/dbraw/zinc/57/03/88/598570388.db2.gz	ALGYAYQZZQKSBU-QGZVFWFLSA-N	-1	3	359.393	2.346	20	30		FEEDHM
C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1	ZINC000736170462	598588815	/nfs/dbraw/zinc/58/88/15/598588815.db2.gz	UTVOCBTVYSKQNA-SNVBAGLBSA-N	-1	3	352.329	2.283	20	30		FEEDHM
C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1	ZINC000736170462	598588817	/nfs/dbraw/zinc/58/88/17/598588817.db2.gz	UTVOCBTVYSKQNA-SNVBAGLBSA-N	-1	3	352.329	2.283	20	30		FEEDHM
N#Cc1cc(-c2nnn[n-]2)c(SCc2ccc(F)cc2C#N)nc1N	ZINC000737703364	598644964	/nfs/dbraw/zinc/64/49/64/598644964.db2.gz	BJKWBYNNSNNOJW-UHFFFAOYSA-N	-1	3	352.358	2.019	20	30		FEEDHM
N#Cc1cc(-c2nn[n-]n2)c(SCc2ccc(F)cc2C#N)nc1N	ZINC000737703364	598644965	/nfs/dbraw/zinc/64/49/65/598644965.db2.gz	BJKWBYNNSNNOJW-UHFFFAOYSA-N	-1	3	352.358	2.019	20	30		FEEDHM
C=CCOc1ccccc1CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1	ZINC000735435913	598677662	/nfs/dbraw/zinc/67/76/62/598677662.db2.gz	BJRVLGJFELNWBH-UHFFFAOYSA-N	-1	3	353.342	2.347	20	30		FEEDHM
C=CCOc1ccccc1CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1	ZINC000735435913	598677664	/nfs/dbraw/zinc/67/76/64/598677664.db2.gz	BJRVLGJFELNWBH-UHFFFAOYSA-N	-1	3	353.342	2.347	20	30		FEEDHM
CC(C)C[C@H](C#N)NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1	ZINC000735757114	598685983	/nfs/dbraw/zinc/68/59/83/598685983.db2.gz	TVSQTJNOAPYLBP-OAHLLOKOSA-N	-1	3	356.430	2.470	20	30		FEEDHM
CC(C)C[C@H](C#N)NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1	ZINC000735757114	598685985	/nfs/dbraw/zinc/68/59/85/598685985.db2.gz	TVSQTJNOAPYLBP-OAHLLOKOSA-N	-1	3	356.430	2.470	20	30		FEEDHM
C[C@H](C#N)CNC(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1	ZINC000735502185	598691372	/nfs/dbraw/zinc/69/13/72/598691372.db2.gz	BTMXUPZMSVSUFG-CYBMUJFWSA-N	-1	3	362.393	2.335	20	30		FEEDHM
C[C@H](C#N)CNC(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1	ZINC000735502185	598691374	/nfs/dbraw/zinc/69/13/74/598691374.db2.gz	BTMXUPZMSVSUFG-CYBMUJFWSA-N	-1	3	362.393	2.335	20	30		FEEDHM
Cc1c(NN=Cc2cnc3ccc(-c4nnn[n-]4)cn23)cccc1[N+](=O)[O-]	ZINC000737217935	599458273	/nfs/dbraw/zinc/45/82/73/599458273.db2.gz	HKWXRNHXYJXHBC-UHFFFAOYSA-N	-1	3	363.341	2.177	20	30		FEEDHM
Cc1c(NN=Cc2cnc3ccc(-c4nn[n-]n4)cn23)cccc1[N+](=O)[O-]	ZINC000737217935	599458276	/nfs/dbraw/zinc/45/82/76/599458276.db2.gz	HKWXRNHXYJXHBC-UHFFFAOYSA-N	-1	3	363.341	2.177	20	30		FEEDHM
C[C@@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1cccc(C#N)c1	ZINC000820365134	599483971	/nfs/dbraw/zinc/48/39/71/599483971.db2.gz	HPQYKFZYRNQYFG-LLVKDONJSA-N	-1	3	365.372	2.438	20	30		FEEDHM
C[C@@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1cccc(C#N)c1	ZINC000820365134	599483973	/nfs/dbraw/zinc/48/39/73/599483973.db2.gz	HPQYKFZYRNQYFG-LLVKDONJSA-N	-1	3	365.372	2.438	20	30		FEEDHM
C=CCCCN(C)C(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C	ZINC000735408231	599514726	/nfs/dbraw/zinc/51/47/26/599514726.db2.gz	IOTHPMXLQQADTD-UHFFFAOYSA-N	-1	3	372.429	2.017	20	30		FEEDHM
C=CCCCN(C)C(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C	ZINC000735408231	599514727	/nfs/dbraw/zinc/51/47/27/599514727.db2.gz	IOTHPMXLQQADTD-UHFFFAOYSA-N	-1	3	372.429	2.017	20	30		FEEDHM
CC[C@@H](Sc1nc(N)c(C#N)cc1-c1nnn[n-]1)C(=O)c1ccccc1	ZINC000736390690	599517923	/nfs/dbraw/zinc/51/79/23/599517923.db2.gz	JJYBBUSVHKKXLO-CYBMUJFWSA-N	-1	3	365.422	2.469	20	30		FEEDHM
CC[C@@H](Sc1nc(N)c(C#N)cc1-c1nn[n-]n1)C(=O)c1ccccc1	ZINC000736390690	599517926	/nfs/dbraw/zinc/51/79/26/599517926.db2.gz	JJYBBUSVHKKXLO-CYBMUJFWSA-N	-1	3	365.422	2.469	20	30		FEEDHM
N#Cc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)nc1	ZINC000822822901	599634080	/nfs/dbraw/zinc/63/40/80/599634080.db2.gz	HIMQHIIETRBMQT-UHFFFAOYSA-N	-1	3	359.271	2.404	20	30		FEEDHM
N#Cc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)nc1	ZINC000822822901	599634081	/nfs/dbraw/zinc/63/40/81/599634081.db2.gz	HIMQHIIETRBMQT-UHFFFAOYSA-N	-1	3	359.271	2.404	20	30		FEEDHM
C=CCNc1ncc(C(=O)OCc2cc(-c3nn[n-]n3)ccc2OC)s1	ZINC000819751601	607420661	/nfs/dbraw/zinc/42/06/61/607420661.db2.gz	XODRIXOFTQSGBG-UHFFFAOYSA-N	-1	3	372.410	2.287	20	30		FEEDHM
N#CCC[C@@H](NC(=O)COc1cccc(-c2nnn[n-]2)c1)c1ccccc1	ZINC000826381284	607429384	/nfs/dbraw/zinc/42/93/84/607429384.db2.gz	FWFVMIZVJUUINW-QGZVFWFLSA-N	-1	3	362.393	2.407	20	30		FEEDHM
N#CCC[C@@H](NC(=O)COc1cccc(-c2nn[n-]n2)c1)c1ccccc1	ZINC000826381284	607429385	/nfs/dbraw/zinc/42/93/85/607429385.db2.gz	FWFVMIZVJUUINW-QGZVFWFLSA-N	-1	3	362.393	2.407	20	30		FEEDHM
C=C(C)CN1CCC(NC(=O)Nc2nnc(CCCC(=O)[O-])s2)CC1	ZINC000736095299	600636807	/nfs/dbraw/zinc/63/68/07/600636807.db2.gz	PHBFPJKRBWZICX-UHFFFAOYSA-N	-1	3	367.475	2.107	20	30		FEEDHM
CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1	ZINC000830608894	600914262	/nfs/dbraw/zinc/91/42/62/600914262.db2.gz	JUOUSTDXISCMJC-ZWKOTPCHSA-N	-1	3	357.454	2.339	20	30		FEEDHM
Cc1occc1C(=O)NC1CCN([C@@H](C(=O)[O-])c2cccc(C#N)c2)CC1	ZINC000833030304	601314169	/nfs/dbraw/zinc/31/41/69/601314169.db2.gz	UEXNTNNKLFMVCA-GOSISDBHSA-N	-1	3	367.405	2.480	20	30		FEEDHM
C[C@@H]1CN(CC(=O)C(C#N)c2nc3ccccc3s2)CC[C@H]1NC(=O)[O-]	ZINC000739179507	602773214	/nfs/dbraw/zinc/77/32/14/602773214.db2.gz	WICYQYAFCNKFBU-JHJVBQTASA-N	-1	3	372.450	2.451	20	30		FEEDHM
O=C(COc1cccc(-c2nnn[n-]2)c1)OCC#Cc1ccccc1Cl	ZINC000826418816	607603304	/nfs/dbraw/zinc/60/33/04/607603304.db2.gz	XMROFHFRDXTKOL-UHFFFAOYSA-N	-1	3	368.780	2.494	20	30		FEEDHM
O=C(COc1cccc(-c2nn[n-]n2)c1)OCC#Cc1ccccc1Cl	ZINC000826418816	607603305	/nfs/dbraw/zinc/60/33/05/607603305.db2.gz	XMROFHFRDXTKOL-UHFFFAOYSA-N	-1	3	368.780	2.494	20	30		FEEDHM
Cc1cccc(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)cc2C)c1C#N	ZINC000826255474	607603615	/nfs/dbraw/zinc/60/36/15/607603615.db2.gz	YXJFUMVOQQQJHP-UHFFFAOYSA-N	-1	3	355.379	2.123	20	30		FEEDHM
Cc1cccc(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)cc2C)c1C#N	ZINC000826255474	607603616	/nfs/dbraw/zinc/60/36/16/607603616.db2.gz	YXJFUMVOQQQJHP-UHFFFAOYSA-N	-1	3	355.379	2.123	20	30		FEEDHM
C=C1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)CC1	ZINC000823882576	607610974	/nfs/dbraw/zinc/61/09/74/607610974.db2.gz	AAFJUTCWYSXQAJ-UHFFFAOYSA-N	-1	3	373.360	2.226	20	30		FEEDHM
C[C@@H]1C[C@@H](CNC(=O)[O-])CN1CC(=O)C(C#N)c1nc2ccccc2s1	ZINC000833827979	605882866	/nfs/dbraw/zinc/88/28/66/605882866.db2.gz	COCLPCZEAQYBMZ-AGIUHOORSA-N	-1	3	372.450	2.451	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2cc(-c3ccccn3)no2)cc1-c1nnn[n-]1	ZINC000822829825	606149680	/nfs/dbraw/zinc/14/96/80/606149680.db2.gz	KXGGIQXHTOGCAV-UHFFFAOYSA-N	-1	3	358.321	2.041	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2cc(-c3ccccn3)no2)cc1-c1nn[n-]n1	ZINC000822829825	606149681	/nfs/dbraw/zinc/14/96/81/606149681.db2.gz	KXGGIQXHTOGCAV-UHFFFAOYSA-N	-1	3	358.321	2.041	20	30		FEEDHM
CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N(CCC#N)CC1CC1	ZINC000821406937	606151939	/nfs/dbraw/zinc/15/19/39/606151939.db2.gz	MGYYJHKLEALXAV-UHFFFAOYSA-N	-1	3	355.402	2.423	20	30		FEEDHM
CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N(CCC#N)CC1CC1	ZINC000821406937	606151940	/nfs/dbraw/zinc/15/19/40/606151940.db2.gz	MGYYJHKLEALXAV-UHFFFAOYSA-N	-1	3	355.402	2.423	20	30		FEEDHM
O=C(C=NOCc1cn2ccccc2c1-c1nnn[n-]1)Nc1ccccc1	ZINC000822935716	606176272	/nfs/dbraw/zinc/17/62/72/606176272.db2.gz	MMVJFHXCKOOBKC-UHFFFAOYSA-N	-1	3	361.365	2.261	20	30		FEEDHM
O=C(C=NOCc1cn2ccccc2c1-c1nn[n-]n1)Nc1ccccc1	ZINC000822935716	606176273	/nfs/dbraw/zinc/17/62/73/606176273.db2.gz	MMVJFHXCKOOBKC-UHFFFAOYSA-N	-1	3	361.365	2.261	20	30		FEEDHM
N#C[C@@H](COC(=O)COc1ccccc1-c1nnn[n-]1)Cc1ccccc1	ZINC000822802214	606182220	/nfs/dbraw/zinc/18/22/20/606182220.db2.gz	XDUDRCULZUGAAM-HNNXBMFYSA-N	-1	3	363.377	2.171	20	30		FEEDHM
N#C[C@@H](COC(=O)COc1ccccc1-c1nn[n-]n1)Cc1ccccc1	ZINC000822802214	606182221	/nfs/dbraw/zinc/18/22/21/606182221.db2.gz	XDUDRCULZUGAAM-HNNXBMFYSA-N	-1	3	363.377	2.171	20	30		FEEDHM
Cn1nnc2cc(C=C3CCc4cc(-c5nnn[n-]5)ccc4C3=O)ccc21	ZINC000822714336	606196365	/nfs/dbraw/zinc/19/63/65/606196365.db2.gz	LKQQZUMYQCSBJC-JYRVWZFOSA-N	-1	3	357.377	2.361	20	30		FEEDHM
Cn1nnc2cc(C=C3CCc4cc(-c5nn[n-]n5)ccc4C3=O)ccc21	ZINC000822714336	606196366	/nfs/dbraw/zinc/19/63/66/606196366.db2.gz	LKQQZUMYQCSBJC-JYRVWZFOSA-N	-1	3	357.377	2.361	20	30		FEEDHM
C=CCN(Cc1ccc(OC)cc1)C(=O)c1cc(-c2nnn[n-]2)cn1C	ZINC000819743683	606232022	/nfs/dbraw/zinc/23/20/22/606232022.db2.gz	ODVXFNUYDVJZSV-UHFFFAOYSA-N	-1	3	352.398	2.042	20	30		FEEDHM
C=CCN(Cc1ccc(OC)cc1)C(=O)c1cc(-c2nn[n-]n2)cn1C	ZINC000819743683	606232024	/nfs/dbraw/zinc/23/20/24/606232024.db2.gz	ODVXFNUYDVJZSV-UHFFFAOYSA-N	-1	3	352.398	2.042	20	30		FEEDHM
N#Cc1cc(N[C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)ccc1F	ZINC000822823266	606248810	/nfs/dbraw/zinc/24/88/10/606248810.db2.gz	NZNUAVCGTBRYRY-ZDUSSCGKSA-N	-1	3	369.385	2.156	20	30		FEEDHM
N#Cc1cc(N[C@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)ccc1F	ZINC000822823266	606248812	/nfs/dbraw/zinc/24/88/12/606248812.db2.gz	NZNUAVCGTBRYRY-ZDUSSCGKSA-N	-1	3	369.385	2.156	20	30		FEEDHM
COC(=O)[C@H](N[C@H](C)c1cccc(C#N)c1)c1cccc(-c2nnn[n-]2)c1	ZINC000821640628	606309549	/nfs/dbraw/zinc/30/95/49/606309549.db2.gz	LRILIJBACLCRCJ-SJKOYZFVSA-N	-1	3	362.393	2.303	20	30		FEEDHM
COC(=O)[C@H](N[C@H](C)c1cccc(C#N)c1)c1cccc(-c2nn[n-]n2)c1	ZINC000821640628	606309550	/nfs/dbraw/zinc/30/95/50/606309550.db2.gz	LRILIJBACLCRCJ-SJKOYZFVSA-N	-1	3	362.393	2.303	20	30		FEEDHM
N#C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1c(Cl)cccc1Cl	ZINC000822801276	606320514	/nfs/dbraw/zinc/32/05/14/606320514.db2.gz	GTRFYJNJKIQMHH-LLVKDONJSA-N	-1	3	362.180	2.496	20	30		FEEDHM
N#C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1c(Cl)cccc1Cl	ZINC000822801276	606320517	/nfs/dbraw/zinc/32/05/17/606320517.db2.gz	GTRFYJNJKIQMHH-LLVKDONJSA-N	-1	3	362.180	2.496	20	30		FEEDHM
Cc1nc(-c2nnn[n-]2)c(N=NC2CN(Cc3ccccc3)C[C@@H]2C)o1	ZINC000822423507	606340175	/nfs/dbraw/zinc/34/01/75/606340175.db2.gz	LKXHIHFKJKYDJE-NSHDSACASA-N	-1	3	352.402	2.083	20	30		FEEDHM
C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H](C#N)C1CCCCC1	ZINC000820529109	606362640	/nfs/dbraw/zinc/36/26/40/606362640.db2.gz	PDGQEHRSHWORBZ-MLGOLLRUSA-N	-1	3	354.414	2.223	20	30		FEEDHM
Cn1c(N=NCc2ccc(-c3nnn[n-]3)s2)nnc1-c1ccccc1	ZINC000822600054	606370635	/nfs/dbraw/zinc/37/06/35/606370635.db2.gz	JBTNYHNZWQJHBG-UHFFFAOYSA-N	-1	3	351.399	2.170	20	30		FEEDHM
Cn1c(N=NCc2ccc(-c3nn[n-]n3)s2)nnc1-c1ccccc1	ZINC000822600054	606370636	/nfs/dbraw/zinc/37/06/36/606370636.db2.gz	JBTNYHNZWQJHBG-UHFFFAOYSA-N	-1	3	351.399	2.170	20	30		FEEDHM
C#CCOc1cccc([C@@H](C)OC(=O)c2cc(-c3nnn[n-]3)cn2C)c1	ZINC000819709633	606408906	/nfs/dbraw/zinc/40/89/06/606408906.db2.gz	NFTISIUIVSLKOZ-GFCCVEGCSA-N	-1	3	351.366	2.135	20	30		FEEDHM
C#CCOc1cccc([C@@H](C)OC(=O)c2cc(-c3nn[n-]n3)cn2C)c1	ZINC000819709633	606408907	/nfs/dbraw/zinc/40/89/07/606408907.db2.gz	NFTISIUIVSLKOZ-GFCCVEGCSA-N	-1	3	351.366	2.135	20	30		FEEDHM
O=C(C=NOCCOc1ccc(-c2nn[n-]n2)cc1)Nc1cccc(F)c1	ZINC000822937133	606613924	/nfs/dbraw/zinc/61/39/24/606613924.db2.gz	ZWRYLXXTWNIRPV-UHFFFAOYSA-N	-1	3	370.344	2.026	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)Cc1cc(=O)c(OC)co1	ZINC000819745397	606746846	/nfs/dbraw/zinc/74/68/46/606746846.db2.gz	BCLBBCNYZPBVKB-UHFFFAOYSA-N	-1	3	353.382	2.017	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)Cc1cc(=O)c(OC)co1	ZINC000819745397	606746847	/nfs/dbraw/zinc/74/68/47/606746847.db2.gz	BCLBBCNYZPBVKB-UHFFFAOYSA-N	-1	3	353.382	2.017	20	30		FEEDHM
CC1CC(C#N)(C(=O)N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)C1	ZINC000820643367	606905263	/nfs/dbraw/zinc/90/52/63/606905263.db2.gz	VKCMMISGHUPMGL-UHFFFAOYSA-N	-1	3	366.425	2.176	20	30		FEEDHM
N#CCc1ccnc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)c1	ZINC000822815739	606945312	/nfs/dbraw/zinc/94/53/12/606945312.db2.gz	ZSPCMHOUASUAGN-UHFFFAOYSA-N	-1	3	351.395	2.059	20	30		FEEDHM
N#CCc1ccnc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)c1	ZINC000822815739	606945313	/nfs/dbraw/zinc/94/53/13/606945313.db2.gz	ZSPCMHOUASUAGN-UHFFFAOYSA-N	-1	3	351.395	2.059	20	30		FEEDHM
C=CCC(CC=C)C(=O)O[C@H](C(=O)OC)c1ccc(-c2nnn[n-]2)cc1	ZINC000819734828	607004078	/nfs/dbraw/zinc/00/40/78/607004078.db2.gz	UVVKRMDMNIALLW-HNNXBMFYSA-N	-1	3	356.382	2.392	20	30		FEEDHM
C=CCC(CC=C)C(=O)O[C@H](C(=O)OC)c1ccc(-c2nn[n-]n2)cc1	ZINC000819734828	607004080	/nfs/dbraw/zinc/00/40/80/607004080.db2.gz	UVVKRMDMNIALLW-HNNXBMFYSA-N	-1	3	356.382	2.392	20	30		FEEDHM
C[C@@H](NC(=O)c1ncc(C#N)cc1Cl)c1ccc(-c2nnn[n-]2)cc1	ZINC000820402347	607232534	/nfs/dbraw/zinc/23/25/34/607232534.db2.gz	CUODDWPYAHLMEG-SECBINFHSA-N	-1	3	353.773	2.278	20	30		FEEDHM
C[C@@H](NC(=O)c1ncc(C#N)cc1Cl)c1ccc(-c2nn[n-]n2)cc1	ZINC000820402347	607232535	/nfs/dbraw/zinc/23/25/35/607232535.db2.gz	CUODDWPYAHLMEG-SECBINFHSA-N	-1	3	353.773	2.278	20	30		FEEDHM
C[C@@H](C#N)CN(CC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1)C1CC1	ZINC000824034121	607831250	/nfs/dbraw/zinc/83/12/50/607831250.db2.gz	HFFXLIGLDPIRBA-JTQLQIEISA-N	-1	3	359.821	2.083	20	30		FEEDHM
C[C@@H](C#N)CN(CC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1)C1CC1	ZINC000824034121	607831251	/nfs/dbraw/zinc/83/12/51/607831251.db2.gz	HFFXLIGLDPIRBA-JTQLQIEISA-N	-1	3	359.821	2.083	20	30		FEEDHM
C[C@@H](C#N)CN(Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)C1CC1	ZINC000824035331	607831352	/nfs/dbraw/zinc/83/13/52/607831352.db2.gz	XGLLZWDHDXBVNR-NSHDSACASA-N	-1	3	350.386	2.041	20	30		FEEDHM
C[C@@H](C#N)CN(Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)C1CC1	ZINC000824035331	607831353	/nfs/dbraw/zinc/83/13/53/607831353.db2.gz	XGLLZWDHDXBVNR-NSHDSACASA-N	-1	3	350.386	2.041	20	30		FEEDHM
C[C@H](C#N)CN(CC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1)C1CC1	ZINC000824034124	607831445	/nfs/dbraw/zinc/83/14/45/607831445.db2.gz	HFFXLIGLDPIRBA-SNVBAGLBSA-N	-1	3	359.821	2.083	20	30		FEEDHM
C[C@H](C#N)CN(CC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1)C1CC1	ZINC000824034124	607831446	/nfs/dbraw/zinc/83/14/46/607831446.db2.gz	HFFXLIGLDPIRBA-SNVBAGLBSA-N	-1	3	359.821	2.083	20	30		FEEDHM
N#Cc1ccc(OC[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1	ZINC000826386208	607872719	/nfs/dbraw/zinc/87/27/19/607872719.db2.gz	UGVREGZGXFKWIF-CYBMUJFWSA-N	-1	3	371.784	2.210	20	30		FEEDHM
N#CC1(NC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)CCSCC1	ZINC000826380102	607909544	/nfs/dbraw/zinc/90/95/44/607909544.db2.gz	NFFXRHYNAXKMJZ-UHFFFAOYSA-N	-1	3	374.495	2.005	20	30		FEEDHM
N#CC1(NC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)CCSCC1	ZINC000826380102	607909545	/nfs/dbraw/zinc/90/95/45/607909545.db2.gz	NFFXRHYNAXKMJZ-UHFFFAOYSA-N	-1	3	374.495	2.005	20	30		FEEDHM
N#Cc1ccc(NC(=O)C=Cc2ccc(Cl)nc2)cc1-c1nnn[n-]1	ZINC000826385528	608005198	/nfs/dbraw/zinc/00/51/98/608005198.db2.gz	QACFGOKDYHXDHP-KXFIGUGUSA-N	-1	3	351.757	2.439	20	30		FEEDHM
N#Cc1ccc(NC(=O)C=Cc2ccc(Cl)nc2)cc1-c1nn[n-]n1	ZINC000826385528	608005199	/nfs/dbraw/zinc/00/51/99/608005199.db2.gz	QACFGOKDYHXDHP-KXFIGUGUSA-N	-1	3	351.757	2.439	20	30		FEEDHM
N#CCOc1cccc(CC(=O)OCc2cc(-c3nnn[n-]3)ccc2F)c1	ZINC000826382072	608029131	/nfs/dbraw/zinc/02/91/31/608029131.db2.gz	NDTLDPCZJAFJQW-UHFFFAOYSA-N	-1	3	367.340	2.194	20	30		FEEDHM
N#CCOc1cccc(CC(=O)OCc2cc(-c3nn[n-]n3)ccc2F)c1	ZINC000826382072	608029132	/nfs/dbraw/zinc/02/91/32/608029132.db2.gz	NDTLDPCZJAFJQW-UHFFFAOYSA-N	-1	3	367.340	2.194	20	30		FEEDHM
C[C@@]1(C#N)CCCN(C(=O)CSCc2ccc(-c3nnn[n-]3)cc2)C1	ZINC000824777470	608140196	/nfs/dbraw/zinc/14/01/96/608140196.db2.gz	IZOIPTNDLPZQQM-KRWDZBQOSA-N	-1	3	356.455	2.252	20	30		FEEDHM
C[C@@]1(C#N)CCCN(C(=O)CSCc2ccc(-c3nn[n-]n3)cc2)C1	ZINC000824777470	608140197	/nfs/dbraw/zinc/14/01/97/608140197.db2.gz	IZOIPTNDLPZQQM-KRWDZBQOSA-N	-1	3	356.455	2.252	20	30		FEEDHM
CCOc1ccc(O)c(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)c1	ZINC000825643927	608535896	/nfs/dbraw/zinc/53/58/96/608535896.db2.gz	WVEYOTLVYPBEBP-UHFFFAOYSA-N	-1	3	359.777	2.465	20	30		FEEDHM
COc1cc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)cc2c1OCO2	ZINC000826178629	608539046	/nfs/dbraw/zinc/53/90/46/608539046.db2.gz	FVZMOLMYIGJXFB-UHFFFAOYSA-N	-1	3	373.760	2.098	20	30		FEEDHM
COc1cc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)cc2c1OCO2	ZINC000826178629	608539047	/nfs/dbraw/zinc/53/90/47/608539047.db2.gz	FVZMOLMYIGJXFB-UHFFFAOYSA-N	-1	3	373.760	2.098	20	30		FEEDHM
N#Cc1ccc(CN2CCN(c3cccc(F)c3-c3nnn[n-]3)CC2)s1	ZINC000826385031	608596253	/nfs/dbraw/zinc/59/62/53/608596253.db2.gz	UQDGUHFOEPNFHL-UHFFFAOYSA-N	-1	3	369.429	2.261	20	30		FEEDHM
N#Cc1ccc(CN2CCN(c3cccc(F)c3-c3nn[n-]n3)CC2)s1	ZINC000826385031	608596255	/nfs/dbraw/zinc/59/62/55/608596255.db2.gz	UQDGUHFOEPNFHL-UHFFFAOYSA-N	-1	3	369.429	2.261	20	30		FEEDHM
C[C@H](C#N)Oc1ccccc1NC(=O)NCc1cccc(-c2nnn[n-]2)c1	ZINC000824034749	609164227	/nfs/dbraw/zinc/16/42/27/609164227.db2.gz	OLUKIUKRSCBVFB-GFCCVEGCSA-N	-1	3	363.381	2.479	20	30		FEEDHM
C[C@H](C#N)Oc1ccccc1NC(=O)NCc1cccc(-c2nn[n-]n2)c1	ZINC000824034749	609164228	/nfs/dbraw/zinc/16/42/28/609164228.db2.gz	OLUKIUKRSCBVFB-GFCCVEGCSA-N	-1	3	363.381	2.479	20	30		FEEDHM
C=C(C)COc1cccc(NC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c1	ZINC000823878419	609220427	/nfs/dbraw/zinc/22/04/27/609220427.db2.gz	YIWWJWCSXQULPH-KRWDZBQOSA-N	-1	3	365.393	2.494	20	30		FEEDHM
C=C(C)COc1cccc(NC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c1	ZINC000823878419	609220429	/nfs/dbraw/zinc/22/04/29/609220429.db2.gz	YIWWJWCSXQULPH-KRWDZBQOSA-N	-1	3	365.393	2.494	20	30		FEEDHM
CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H]1CCC[C@@H]1C#N	ZINC000824319090	609263190	/nfs/dbraw/zinc/26/31/90/609263190.db2.gz	FJAMURDUSBJZIZ-OLZOCXBDSA-N	-1	3	355.402	2.468	20	30		FEEDHM
CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H]1CCC[C@@H]1C#N	ZINC000824319090	609263191	/nfs/dbraw/zinc/26/31/91/609263191.db2.gz	FJAMURDUSBJZIZ-OLZOCXBDSA-N	-1	3	355.402	2.468	20	30		FEEDHM
COc1ccc(C#N)cc1CSc1nnc(C)c(C)c1-c1nnn[n-]1	ZINC000826186619	609304940	/nfs/dbraw/zinc/30/49/40/609304940.db2.gz	CLCLFHIMOABULP-UHFFFAOYSA-N	-1	3	353.411	2.446	20	30		FEEDHM
COc1ccc(C#N)cc1CSc1nnc(C)c(C)c1-c1nn[n-]n1	ZINC000826186619	609304942	/nfs/dbraw/zinc/30/49/42/609304942.db2.gz	CLCLFHIMOABULP-UHFFFAOYSA-N	-1	3	353.411	2.446	20	30		FEEDHM
CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC(CC#N)CC1	ZINC000825621177	609403724	/nfs/dbraw/zinc/40/37/24/609403724.db2.gz	OOFHAQNUOQNZTR-UHFFFAOYSA-N	-1	3	355.402	2.423	20	30		FEEDHM
CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC(CC#N)CC1	ZINC000825621177	609403725	/nfs/dbraw/zinc/40/37/25/609403725.db2.gz	OOFHAQNUOQNZTR-UHFFFAOYSA-N	-1	3	355.402	2.423	20	30		FEEDHM
CC(C)(C#N)CNC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F	ZINC000824059516	609404787	/nfs/dbraw/zinc/40/47/87/609404787.db2.gz	ZIJGTCTZSXYUJM-UHFFFAOYSA-N	-1	3	351.317	2.139	20	30		FEEDHM
CC(C)(C#N)CNC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F	ZINC000824059516	609404789	/nfs/dbraw/zinc/40/47/89/609404789.db2.gz	ZIJGTCTZSXYUJM-UHFFFAOYSA-N	-1	3	351.317	2.139	20	30		FEEDHM
Cc1c(C(=O)C=Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)cnn1C	ZINC000826234451	609406673	/nfs/dbraw/zinc/40/66/73/609406673.db2.gz	XIEJLFRORSOTGI-CMDGGOBGSA-N	-1	3	374.408	2.205	20	30		FEEDHM
Cc1c(C(=O)C=Cc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)cnn1C	ZINC000826234451	609406674	/nfs/dbraw/zinc/40/66/74/609406674.db2.gz	XIEJLFRORSOTGI-CMDGGOBGSA-N	-1	3	374.408	2.205	20	30		FEEDHM
CC(C)(C#N)CNC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1	ZINC000824059190	609411669	/nfs/dbraw/zinc/41/16/69/609411669.db2.gz	OHIOZYMALVOKCH-UHFFFAOYSA-N	-1	3	351.414	2.215	20	30		FEEDHM
CC(C)(C#N)CNC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1	ZINC000824059190	609411670	/nfs/dbraw/zinc/41/16/70/609411670.db2.gz	OHIOZYMALVOKCH-UHFFFAOYSA-N	-1	3	351.414	2.215	20	30		FEEDHM
COCCOc1ccc(C#N)cc1NCc1ccc(-c2nnn[n-]2)cc1	ZINC000826162457	609485946	/nfs/dbraw/zinc/48/59/46/609485946.db2.gz	CRFCWQRFTZUSOS-UHFFFAOYSA-N	-1	3	350.382	2.376	20	30		FEEDHM
COCCOc1ccc(C#N)cc1NCc1ccc(-c2nn[n-]n2)cc1	ZINC000826162457	609485948	/nfs/dbraw/zinc/48/59/48/609485948.db2.gz	CRFCWQRFTZUSOS-UHFFFAOYSA-N	-1	3	350.382	2.376	20	30		FEEDHM
Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CN1CCC[C@](C)(C#N)C1	ZINC000826334995	609501140	/nfs/dbraw/zinc/50/11/40/609501140.db2.gz	SPIYPZKXFBHNQX-GOSISDBHSA-N	-1	3	363.429	2.017	20	30		FEEDHM
Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CN1CCC[C@](C)(C#N)C1	ZINC000826334995	609501142	/nfs/dbraw/zinc/50/11/42/609501142.db2.gz	SPIYPZKXFBHNQX-GOSISDBHSA-N	-1	3	363.429	2.017	20	30		FEEDHM
N#Cc1ccc(N2CCC[C@@H](Nc3ccc(-c4nn[n-]n4)cc3)C2=O)cc1	ZINC000826385658	609575801	/nfs/dbraw/zinc/57/58/01/609575801.db2.gz	VWTCGZYUCJVZOU-QGZVFWFLSA-N	-1	3	359.393	2.346	20	30		FEEDHM
N#Cc1ccc(C(=O)C[N-]S(=O)(=O)Cc2c(F)cccc2F)cc1	ZINC000560057504	674565636	/nfs/dbraw/zinc/56/56/36/674565636.db2.gz	RIKHNTSDAOHMCM-UHFFFAOYSA-N	-1	3	350.346	2.139	20	30		FEEDHM
N#Cc1ccnc(NCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)c1	ZINC000561307999	674655205	/nfs/dbraw/zinc/65/52/05/674655205.db2.gz	GHASEMWQQYPVPN-UHFFFAOYSA-N	-1	3	354.794	2.136	20	30		FEEDHM
C=CCC(F)(F)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F	ZINC000816570591	675065805	/nfs/dbraw/zinc/06/58/05/675065805.db2.gz	ZLZPWBUQNGOKAW-UHFFFAOYSA-N	-1	3	370.780	2.085	20	30		FEEDHM
O=C(N[C@@H]1CCN([O-])C1=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	ZINC000816692926	675073469	/nfs/dbraw/zinc/07/34/69/675073469.db2.gz	YNHVMPZRMDFMEU-SECBINFHSA-N	-1	3	356.222	2.444	20	30		FEEDHM
CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCN([O-])C1=O	ZINC000816753663	675077504	/nfs/dbraw/zinc/07/75/04/675077504.db2.gz	MVIFJDONJBNPKT-LBPRGKRZSA-N	-1	3	353.400	2.205	20	30		FEEDHM
C[C@H](Sc1ccc(Br)cc1)C(=O)N[C@H]1CCCN([O-])C1=O	ZINC000816755711	675077679	/nfs/dbraw/zinc/07/76/79/675077679.db2.gz	HLDCXJKETQCZDX-CABZTGNLSA-N	-1	3	373.272	2.426	20	30		FEEDHM
COCc1c(C(=O)N[C@H]2CCCN([O-])C2=O)sc2cccc(F)c21	ZINC000816756944	675077906	/nfs/dbraw/zinc/07/79/06/675077906.db2.gz	IURPLIFFNBFNQK-NSHDSACASA-N	-1	3	352.387	2.297	20	30		FEEDHM
CN(C)S(=O)(=O)c1cc(C([O-])=C(C#N)c2ccccn2)ccc1Cl	ZINC000046706166	670228779	/nfs/dbraw/zinc/22/87/79/670228779.db2.gz	VKUMYSGMNXKPCV-LBPRGKRZSA-N	-1	3	363.826	2.475	20	30		FEEDHM
Cc1oc(C([O-])=C(C#N)c2ccccn2)cc1S(=O)(=O)N1CCCC1	ZINC000049458762	670277806	/nfs/dbraw/zinc/27/78/06/670277806.db2.gz	ZWDUFKXVHXJUSY-CYBMUJFWSA-N	-1	3	359.407	2.258	20	30		FEEDHM
COC(=O)c1c(F)ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)c1F	ZINC000580682820	671824409	/nfs/dbraw/zinc/82/44/09/671824409.db2.gz	HFFAXDKCYKGZLA-UHFFFAOYSA-N	-1	3	352.318	2.424	20	30		FEEDHM
COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C#N)C2CCCCC2)c(F)c1	ZINC000582820451	672036365	/nfs/dbraw/zinc/03/63/65/672036365.db2.gz	RIIHCAROXCOKFP-CQSZACIVSA-N	-1	3	354.403	2.363	20	30		FEEDHM
N#Cc1cccnc1OC1CCC([N-]S(=O)(=O)c2cscn2)CC1	ZINC000592050922	672742950	/nfs/dbraw/zinc/74/29/50/672742950.db2.gz	XNKWGCUITRMCPM-UHFFFAOYSA-N	-1	3	364.452	2.078	20	30		FEEDHM
N#CC(=C([O-])c1cnn(CC(F)(F)F)c1)c1nnc2n1CCCCC2	ZINC000682499681	672765396	/nfs/dbraw/zinc/76/53/96/672765396.db2.gz	XZKPSTTUVKXSII-NSHDSACASA-N	-1	3	352.320	2.253	20	30		FEEDHM
CCN(CC)c1ccc(C[N-]S(=O)(=O)c2ccsc2C#N)cn1	ZINC000593529390	672934954	/nfs/dbraw/zinc/93/49/54/672934954.db2.gz	AEAVURWJRDSSPW-UHFFFAOYSA-N	-1	3	350.469	2.339	20	30		FEEDHM
COc1ccc([C@@H](CCO)[N-]S(=O)(=O)c2ccsc2C#N)cc1	ZINC000593549432	672939980	/nfs/dbraw/zinc/93/99/80/672939980.db2.gz	HRMFQPODZGXMNN-CYBMUJFWSA-N	-1	3	352.437	2.030	20	30		FEEDHM
Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)NCC1C[C@H](C)O[C@@H](C)C1	ZINC000328925015	673069552	/nfs/dbraw/zinc/06/95/52/673069552.db2.gz	NYHSFHCOGDBLSZ-NHCYSSNCSA-N	-1	3	373.475	2.118	20	30		FEEDHM
CCOC(=O)[C@@H]([N-]S(=O)(=O)N(CC)C[C@H](C)C#N)C1CCCCCC1	ZINC000594482316	673086125	/nfs/dbraw/zinc/08/61/25/673086125.db2.gz	TZQYLQZIWJSVJG-ZBFHGGJFSA-N	-1	3	373.519	2.204	20	30		FEEDHM
Cc1ncc(CO)c(C=NNc2ccc(S(=O)(=O)C(F)F)cc2)c1[O-]	ZINC000726424921	673121713	/nfs/dbraw/zinc/12/17/13/673121713.db2.gz	PSYFBJYZBRXWNU-UHFFFAOYSA-N	-1	3	371.365	2.030	20	30		FEEDHM
O=S(=O)(Cc1ccccc1)[N-]N=Cc1cnn(-c2ccc(F)cc2)c1	ZINC000728174497	673195303	/nfs/dbraw/zinc/19/53/03/673195303.db2.gz	UNBFZSSXFZLKSD-UHFFFAOYSA-N	-1	3	358.398	2.465	20	30		FEEDHM
COC(=O)c1cc(C#N)ccc1S(=O)(=O)[N-]CC(F)(F)C(C)(C)C	ZINC000595384334	673239178	/nfs/dbraw/zinc/23/91/78/673239178.db2.gz	WJARACXLTRTBTC-UHFFFAOYSA-N	-1	3	360.382	2.305	20	30		FEEDHM
COc1ccccc1-c1cc(C[N-]S(=O)(=O)CC2(C#N)CCC2)on1	ZINC000595404941	673244173	/nfs/dbraw/zinc/24/41/73/673244173.db2.gz	PCEZWVSERZLBKH-UHFFFAOYSA-N	-1	3	361.423	2.463	20	30		FEEDHM
C=CCN(Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1)[C@H](C)COC	ZINC000595638102	673277438	/nfs/dbraw/zinc/27/74/38/673277438.db2.gz	CMZNXFKINUQNAJ-SNVBAGLBSA-N	-1	3	365.455	2.103	20	30		FEEDHM
C[C@@H](COC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21)c1ccccc1	ZINC000735127762	673484836	/nfs/dbraw/zinc/48/48/36/673484836.db2.gz	RHHSUPJIXUXVCA-ZDUSSCGKSA-N	-1	3	358.419	2.072	20	30		FEEDHM
CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OCCCF	ZINC000741442913	673686923	/nfs/dbraw/zinc/68/69/23/673686923.db2.gz	FXLJREDHPMFGEF-ZDUSSCGKSA-N	-1	3	356.419	2.187	20	30		FEEDHM
N#CC1(CS(=O)(=O)[N-][C@H]2CCCN(c3ccccc3)C2=O)CCCC1	ZINC000544724392	673728761	/nfs/dbraw/zinc/72/87/61/673728761.db2.gz	JQNYHVQMBHNJAE-INIZCTEOSA-N	-1	3	361.467	2.185	20	30		FEEDHM
CCCN(CCC)C(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000742465482	673728792	/nfs/dbraw/zinc/72/87/92/673728792.db2.gz	GKEAHLOILSZJOU-ZDUSSCGKSA-N	-1	3	351.472	2.152	20	30		FEEDHM
C[C@H](CC(=O)N1CCC[C@H](C)[C@@H]1C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000742700987	673735258	/nfs/dbraw/zinc/73/52/58/673735258.db2.gz	AYTRCLSFKOAXIZ-MJBXVCDLSA-N	-1	3	363.483	2.151	20	30		FEEDHM
C=CCNC(=O)c1ccc(NC(=O)c2cc(-c3nnn[n-]3)cs2)cc1	ZINC000819750586	675312801	/nfs/dbraw/zinc/31/28/01/675312801.db2.gz	GKJSTRWUWFIYHU-UHFFFAOYSA-N	-1	3	354.395	2.096	20	30		FEEDHM
C=CCNC(=O)c1ccc(NC(=O)c2cc(-c3nn[n-]n3)cs2)cc1	ZINC000819750586	675312802	/nfs/dbraw/zinc/31/28/02/675312802.db2.gz	GKJSTRWUWFIYHU-UHFFFAOYSA-N	-1	3	354.395	2.096	20	30		FEEDHM
CC(C)(C(=O)N[C@H]1CCN([O-])C1=O)c1csc(-c2ccccc2F)n1	ZINC000820136923	675338695	/nfs/dbraw/zinc/33/86/95/675338695.db2.gz	GXZXTCSYKXGAOB-LBPRGKRZSA-N	-1	3	363.414	2.333	20	30		FEEDHM
O=C(Cc1csc(Cc2cccc(Cl)c2)n1)N[C@@H]1CCN([O-])C1=O	ZINC000820143002	675339237	/nfs/dbraw/zinc/33/92/37/675339237.db2.gz	ALKJPVMYUHLTHR-CYBMUJFWSA-N	-1	3	365.842	2.036	20	30		FEEDHM
Cc1cc(C(=O)N[C@H]2CCN([O-])C2=O)nn1-c1ccc(Cl)cc1Cl	ZINC000820179095	675341545	/nfs/dbraw/zinc/34/15/45/675341545.db2.gz	GAIAKNAJGNXLEB-NSHDSACASA-N	-1	3	369.208	2.207	20	30		FEEDHM
O=C(N[C@H]1CCCN([O-])C1=O)c1cc2sc(N3CCCC3)nc2s1	ZINC000820476130	675364935	/nfs/dbraw/zinc/36/49/35/675364935.db2.gz	IGPWXAYNLAEYBB-VIFPVBQESA-N	-1	3	366.468	2.068	20	30		FEEDHM
CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N[C@@H]2CCCN([O-])C2=O)c1	ZINC000820482345	675365370	/nfs/dbraw/zinc/36/53/70/675365370.db2.gz	HREAGLAPRVWASY-CYBMUJFWSA-N	-1	3	353.806	2.045	20	30		FEEDHM
Cc1ccc(Br)c2[nH]c(C(=O)N[C@@H]3CCCN([O-])C3=O)cc21	ZINC000820543827	675368639	/nfs/dbraw/zinc/36/86/39/675368639.db2.gz	ALMRVJTXTQZYJT-LLVKDONJSA-N	-1	3	366.215	2.349	20	30		FEEDHM
NC(=NOCCOc1ccccc1-c1nnn[n-]1)c1ccc(Cl)cc1	ZINC000826387984	675687738	/nfs/dbraw/zinc/68/77/38/675687738.db2.gz	CRVCDPILYMZPEX-UHFFFAOYSA-N	-1	3	358.789	2.236	20	30		FEEDHM
NC(=NOCCOc1ccccc1-c1nn[n-]n1)c1ccc(Cl)cc1	ZINC000826387984	675687739	/nfs/dbraw/zinc/68/77/39/675687739.db2.gz	CRVCDPILYMZPEX-UHFFFAOYSA-N	-1	3	358.789	2.236	20	30		FEEDHM
C=C[C@@H](C(=O)OC)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1	ZINC000619718991	676392172	/nfs/dbraw/zinc/39/21/72/676392172.db2.gz	MBSXTSWFLXUVEO-AWEZNQCLSA-N	-1	3	352.818	2.424	20	30		FEEDHM
CC#CC[C@H](CO)[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F	ZINC000645884624	677274189	/nfs/dbraw/zinc/27/41/89/677274189.db2.gz	LMLQSHLHZFMPKT-SNVBAGLBSA-N	-1	3	355.765	2.411	20	30		FEEDHM
C[C@@H](CC(=O)OCCC1(C)CC1)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000764249066	680803995	/nfs/dbraw/zinc/80/39/95/680803995.db2.gz	XXYKNHARUJBUKR-LBPRGKRZSA-N	-1	3	350.440	2.237	20	30		FEEDHM
C=C(Cl)COC(=O)C[N-]S(=O)(=O)c1ccc(Br)s1	ZINC000750225167	680107169	/nfs/dbraw/zinc/10/71/69/680107169.db2.gz	MTHFSYYGXSQNOH-UHFFFAOYSA-N	-1	3	374.665	2.085	20	30		FEEDHM
CCC1(NC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)CCCC1	ZINC000834303982	680210463	/nfs/dbraw/zinc/21/04/63/680210463.db2.gz	GBXJZGPPDPRBBK-CYBMUJFWSA-N	-1	3	363.483	2.343	20	30		FEEDHM
CC(C)[N-]S(=O)(=O)c1cc(C(=O)N(C[C@H](C)C#N)C2CC2)ccc1F	ZINC000754186141	680342332	/nfs/dbraw/zinc/34/23/32/680342332.db2.gz	QPVBZNOXSSWCNY-GFCCVEGCSA-N	-1	3	367.446	2.277	20	30		FEEDHM
CCCCCCCCNC(=O)Cn1cc(Br)c(=O)[n-]c1=O	ZINC000754851594	680384503	/nfs/dbraw/zinc/38/45/03/680384503.db2.gz	UOLRUYCSQMCCTQ-UHFFFAOYSA-N	-1	3	360.252	2.188	20	30		FEEDHM
CC(C)[C@H](CO)O[N-]C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1	ZINC000836499193	680477616	/nfs/dbraw/zinc/47/76/16/680477616.db2.gz	BMNNFLGJCMJDMS-AWEZNQCLSA-N	-1	3	363.805	2.467	20	30		FEEDHM
C=CCO[N-]C(=O)CCCN1C(=O)c2ccc(Br)cc2C1=O	ZINC000837042984	680546095	/nfs/dbraw/zinc/54/60/95/680546095.db2.gz	IHLKHEHNWQQIOJ-UHFFFAOYSA-N	-1	3	367.199	2.059	20	30		FEEDHM
CCC1CN(C(=O)[C@@H](CC(C)C)/N=C2/[N-]S(=O)(=O)c3ccccc32)C1	ZINC000837264288	680576222	/nfs/dbraw/zinc/57/62/22/680576222.db2.gz	RBOBWPHQHMNLFT-OAHLLOKOSA-N	-1	3	363.483	2.008	20	30		FEEDHM
Cc1cc(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)cc2)ccc1C#N	ZINC000766548628	680881054	/nfs/dbraw/zinc/88/10/54/680881054.db2.gz	SAYLFUGVDSHTJL-UHFFFAOYSA-N	-1	3	365.436	2.039	20	30		FEEDHM
COc1cc(C=NN2C(=S)N=NC2C(C)(C)C)c([N+](=O)[O-])cc1[O-]	ZINC000767105682	680899150	/nfs/dbraw/zinc/89/91/50/680899150.db2.gz	GSALZLJJBAOVQP-UHFFFAOYSA-N	-1	3	351.388	2.369	20	30		FEEDHM
C=CCn1c(=O)c2ccc(-c3nc([C@@H]4CCCN4)no3)cc2[n-]c1=S	ZINC000842646204	680956995	/nfs/dbraw/zinc/95/69/95/680956995.db2.gz	PRZFFYHFAZSROP-LBPRGKRZSA-N	-1	3	355.423	2.346	20	30		FEEDHM
CC(N=Nc1ccc(S(=O)(=O)N2CCCC2)cn1)c1sccc1[O-]	ZINC000769779355	680994719	/nfs/dbraw/zinc/99/47/19/680994719.db2.gz	CGSJOTNSPHGIJY-UHFFFAOYSA-N	-1	3	366.468	2.469	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H](C)CC(F)F)ccc1F	ZINC000843634414	681012725	/nfs/dbraw/zinc/01/27/25/681012725.db2.gz	VPIBEZVSGRRBHH-JTQLQIEISA-N	-1	3	364.389	2.311	20	30		FEEDHM
CN1CCN(c2ccc(C=Nn3c(=S)[n-]nc3C(F)(F)F)cc2)CC1	ZINC000771555962	681059490	/nfs/dbraw/zinc/05/94/90/681059490.db2.gz	RRHVRCAGJKAGMC-UHFFFAOYSA-N	-1	3	370.404	2.220	20	30		FEEDHM
C#C[C@H]([N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl)[C@H]1CCCO1	ZINC000773054000	681122819	/nfs/dbraw/zinc/12/28/19/681122819.db2.gz	RTYWNAHCPXYRIR-CMPLNLGQSA-N	-1	3	358.803	2.016	20	30		FEEDHM
C[C@]1(CC[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C[C@@]1(F)Cl	ZINC000845984293	681169862	/nfs/dbraw/zinc/16/98/62/681169862.db2.gz	WJWRMYJAOSBDNN-STQMWFEESA-N	-1	3	361.782	2.449	20	30		FEEDHM
O=C(N[C@H]1CCCN([O-])C1=O)c1cnc(-c2ccc(F)c(F)c2)s1	ZINC000848136205	681478542	/nfs/dbraw/zinc/47/85/42/681478542.db2.gz	UCKMHXMUMSVJBX-NSHDSACASA-N	-1	3	353.350	2.198	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)OC[C@H](OC)C2CCC2)ccc1F	ZINC000849679413	681781725	/nfs/dbraw/zinc/78/17/25/681781725.db2.gz	MIPORQKMZHSWAY-HNNXBMFYSA-N	-1	3	371.430	2.262	20	30		FEEDHM
CCN(C(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21)c1ccc(C)cc1	ZINC000914761109	685509592	/nfs/dbraw/zinc/50/95/92/685509592.db2.gz	KWDBJJDBCMWMDR-UHFFFAOYSA-N	-1	3	357.435	2.087	20	30		FEEDHM
[O-]c1ccc(Br)cc1C=NNC(=S)NC[C@@H]1CCCO1	ZINC000916311461	685523613	/nfs/dbraw/zinc/52/36/13/685523613.db2.gz	KBSPLUOCJRMYLJ-NSHDSACASA-N	-1	3	358.261	2.132	20	30		FEEDHM
C[C@H](CC(=O)N1[C@H](C)CCC1(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000854897637	682607148	/nfs/dbraw/zinc/60/71/48/682607148.db2.gz	DQAKOUKIPWJQIM-CHWSQXEVSA-N	-1	3	363.483	2.293	20	30		FEEDHM
C[C@H](CC(=O)NCCCC1CCC1)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000855802075	682713883	/nfs/dbraw/zinc/71/38/83/682713883.db2.gz	DYVWQMXBIGBDNM-CYBMUJFWSA-N	-1	3	363.483	2.200	20	30		FEEDHM
C=CCN(C(=O)c1cc2sccc2c([O-])c1)[C@@H]1CCS(=O)(=O)C1	ZINC000791328125	682735047	/nfs/dbraw/zinc/73/50/47/682735047.db2.gz	CRNHDQCIAJHZOZ-GFCCVEGCSA-N	-1	3	351.449	2.422	20	30		FEEDHM
C[C@H](CC(=O)N(C)C[C@@H]1CC1(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000856461471	682785416	/nfs/dbraw/zinc/78/54/16/682785416.db2.gz	GBBISFZBEMJVAN-OLZOCXBDSA-N	-1	3	363.483	2.008	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)NC(C)(C)C(F)F)ccc1F	ZINC000792595274	682822133	/nfs/dbraw/zinc/82/21/33/682822133.db2.gz	ZLAAFHNXAHKJMN-UHFFFAOYSA-N	-1	3	350.362	2.064	20	30		FEEDHM
CC(=N[N-]S(=O)(=O)Cc1ccccc1)c1cccc(N2CCC2=O)c1	ZINC000794901464	683002153	/nfs/dbraw/zinc/00/21/53/683002153.db2.gz	MJKIIFLDKQODGA-UHFFFAOYSA-N	-1	3	357.435	2.267	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)Cc2occc2C)ccc1F	ZINC000795027041	683009373	/nfs/dbraw/zinc/00/93/73/683009373.db2.gz	NIYIRJLTVBLOCJ-UHFFFAOYSA-N	-1	3	366.414	2.464	20	30		FEEDHM
C#CC[C@H](COC)[N-]S(=O)(=O)c1cccc(Cl)c1Br	ZINC000859429616	683108566	/nfs/dbraw/zinc/10/85/66/683108566.db2.gz	GPIVHZSGKYBGKA-SECBINFHSA-N	-1	3	366.664	2.419	20	30		FEEDHM
C#CC[C@@H](COC)[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F	ZINC000859429316	683108603	/nfs/dbraw/zinc/10/86/03/683108603.db2.gz	DEONMJSVXMTPNV-VIFPVBQESA-N	-1	3	355.309	2.041	20	30		FEEDHM
C#CC[C@@H](COC)[N-]S(=O)(=O)c1cc(Cl)ccc1Br	ZINC000859430540	683109067	/nfs/dbraw/zinc/10/90/67/683109067.db2.gz	SHQLRIUGQNKYEY-JTQLQIEISA-N	-1	3	366.664	2.419	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)OC[C@H](OCC)C2CC2)ccc1F	ZINC000859490585	683118657	/nfs/dbraw/zinc/11/86/57/683118657.db2.gz	FHKHCEVKEDBWJM-HNNXBMFYSA-N	-1	3	371.430	2.262	20	30		FEEDHM
C#CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(C(=O)OC)c(C)o1	ZINC000796096930	683127248	/nfs/dbraw/zinc/12/72/48/683127248.db2.gz	ISDPCMKOHJXNJE-OAHLLOKOSA-N	-1	3	361.419	2.288	20	30		FEEDHM
CC1=C(C)CN(C(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)CC1	ZINC000796468806	683163521	/nfs/dbraw/zinc/16/35/21/683163521.db2.gz	ZAGNSQDDLMUZDV-AWEZNQCLSA-N	-1	3	361.467	2.072	20	30		FEEDHM
N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1cnn2c1OCCC2	ZINC000796746595	683192138	/nfs/dbraw/zinc/19/21/38/683192138.db2.gz	NYJSXHZSGWUZNC-JTQLQIEISA-N	-1	3	362.748	2.419	20	30		FEEDHM
C#Cc1cncc(C(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)c1	ZINC000798163774	683315564	/nfs/dbraw/zinc/31/55/64/683315564.db2.gz	HGTJRUQTCPCLDJ-UHFFFAOYSA-N	-1	3	359.407	2.085	20	30		FEEDHM
N#Cc1ccc([N-]S(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)c(F)c1	ZINC000799124509	683425299	/nfs/dbraw/zinc/42/52/99/683425299.db2.gz	MAVVLRYBORDEMF-UHFFFAOYSA-N	-1	3	353.762	2.250	20	30		FEEDHM
C[C@@H](NCc1ccccc1S(=O)(=O)N(C)C)c1cccc(C#N)c1[O-]	ZINC000866227263	684084643	/nfs/dbraw/zinc/08/46/43/684084643.db2.gz	XONJYUMBJJHSFC-CYBMUJFWSA-N	-1	3	359.451	2.365	20	30		FEEDHM
C=CCN1CCC([N-]S(=O)(=O)c2cc(Cl)cnc2Cl)CC1	ZINC000866744444	684143973	/nfs/dbraw/zinc/14/39/73/684143973.db2.gz	KVGXLEJUZQYAIU-UHFFFAOYSA-N	-1	3	350.271	2.317	20	30		FEEDHM
C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc2nc(Cl)ncc2s1	ZINC000867428584	684277576	/nfs/dbraw/zinc/27/75/76/684277576.db2.gz	LYQMXUJSYLBHFO-WPRPVWTQSA-N	-1	3	359.860	2.214	20	30		FEEDHM
C#C[C@H]([N-]S(=O)(=O)c1cscc1Br)C1CCOCC1	ZINC000867529299	684305470	/nfs/dbraw/zinc/30/54/70/684305470.db2.gz	GMXNJLDSMCEQRO-NSHDSACASA-N	-1	3	364.286	2.217	20	30		FEEDHM
C[C@H](CC(=O)N[C@@H](C)CC1CCC1)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000871087424	684785747	/nfs/dbraw/zinc/78/57/47/684785747.db2.gz	AYITULJCORMNSN-QWHCGFSZSA-N	-1	3	363.483	2.199	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]CCOC(F)(F)C(F)(F)F)s1	ZINC000872560940	684978614	/nfs/dbraw/zinc/97/86/14/684978614.db2.gz	QXFUJWMPHNEXNN-UHFFFAOYSA-N	-1	3	350.290	2.070	20	30		FEEDHM
CN(C)c1ccc(C#N)cc1CN1CC[C@](C)([N-]C(=O)C(F)(F)F)C1	ZINC000877773092	686451777	/nfs/dbraw/zinc/45/17/77/686451777.db2.gz	DNVAFNMBWFJDLI-INIZCTEOSA-N	-1	3	354.376	2.267	20	30		FEEDHM
C#C[C@@](C)(CC)NC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1	ZINC000878407863	686580415	/nfs/dbraw/zinc/58/04/15/686580415.db2.gz	CPFRQLVHHSPUML-INIZCTEOSA-N	-1	3	353.444	2.380	20	30		FEEDHM
Cc1c(F)c(Br)ccc1NC(=O)N[C@@H]1CCCN([O-])C1=O	ZINC000880077022	686994689	/nfs/dbraw/zinc/99/46/89/686994689.db2.gz	VZBONLMTDLAGRT-SNVBAGLBSA-N	-1	3	360.183	2.398	20	30		FEEDHM
C=C(C)C[C@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)C(=O)OCC	ZINC000882644310	687425216	/nfs/dbraw/zinc/42/52/16/687425216.db2.gz	AJGFRAXMQMQCRQ-JTQLQIEISA-N	-1	3	366.361	2.277	20	30		FEEDHM
O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)OCC[C@H]1CCCC1(F)F	ZINC000883940123	687763105	/nfs/dbraw/zinc/76/31/05/687763105.db2.gz	KOQFOEYJHGOVOO-LLVKDONJSA-N	-1	3	372.393	2.094	20	30		FEEDHM
CCS(=O)(=O)c1ccccc1CC/N=C\c1c([O-])c(C)ncc1CO	ZINC000899225880	690322481	/nfs/dbraw/zinc/32/24/81/690322481.db2.gz	FXYCNYCLHHZOMM-ODLFYWEKSA-N	-1	3	362.451	2.043	20	30		FEEDHM
CON(C)S(=O)(=O)c1ccc(C(=O)N([O-])Cc2ccc(F)cc2)cc1	ZINC000901375114	690641671	/nfs/dbraw/zinc/64/16/71/690641671.db2.gz	COERBVIKHQWZMX-UHFFFAOYSA-N	-1	3	368.386	2.039	20	30		FEEDHM
CC(C)O[C@]1(CS(=O)(=O)[N-]c2ccc(CCC#N)cc2)CCOC1	ZINC000901739641	690686156	/nfs/dbraw/zinc/68/61/56/690686156.db2.gz	COVZQGWNLIVLMU-QGZVFWFLSA-N	-1	3	352.456	2.469	20	30		FEEDHM
C=CCN1CCC(NC(=O)N[C@@H](C(=O)[O-])c2cc(F)ccc2F)CC1	ZINC000908946887	691757494	/nfs/dbraw/zinc/75/74/94/691757494.db2.gz	VUQGRGHZWGIEJM-OAHLLOKOSA-N	-1	3	353.369	2.040	20	30		FEEDHM
COC(=O)c1sc(S(=O)(=O)[N-][C@@H]2CC[C@H](C#N)C2)c(C)c1Cl	ZINC000819897066	675321438	/nfs/dbraw/zinc/32/14/38/675321438.db2.gz	BGOOMDFPOSMHGN-DTWKUNHWSA-N	-1	3	362.860	2.467	20	30		FEEDHM
COc1ccccc1N1C[C@@H](C(=O)Nc2nnc(C(F)(F)F)[n-]2)CC1=O	ZINC000026255078	539781418	/nfs/dbraw/zinc/78/14/18/539781418.db2.gz	YZDWUGMNRSOBOZ-QMMMGPOBSA-N	-1	3	369.303	2.473	20	30		FEEDHM
COc1ccccc1N1C[C@@H](C(=O)Nc2nc(C(F)(F)F)n[n-]2)CC1=O	ZINC000026255078	539781422	/nfs/dbraw/zinc/78/14/22/539781422.db2.gz	YZDWUGMNRSOBOZ-QMMMGPOBSA-N	-1	3	369.303	2.473	20	30		FEEDHM
Cc1ncc(CO)c(/C=N/c2ccc(NC(=O)[C@@H]3CCCO3)cc2)c1[O-]	ZINC000029736779	539863285	/nfs/dbraw/zinc/86/32/85/539863285.db2.gz	BHLPNQLKDXAVQC-GVLJNOETSA-N	-1	3	355.394	2.456	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCc2ccc(O)cc2C1	ZINC000041661541	540029620	/nfs/dbraw/zinc/02/96/20/540029620.db2.gz	WSKRUFGTTSHZJO-UHFFFAOYSA-N	-1	3	351.406	2.087	20	30		FEEDHM
C[C@]1(c2cccc(NC(=O)CCc3ccc(C#N)cc3)c2)NC(=O)[N-]C1=O	ZINC000047167367	540293362	/nfs/dbraw/zinc/29/33/62/540293362.db2.gz	RHFMAMNHWSOIFL-HXUWFJFHSA-N	-1	3	362.389	2.184	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(CCN(C)C)c1ccccc1	ZINC000063829402	541187365	/nfs/dbraw/zinc/18/73/65/541187365.db2.gz	PRWTXQRCTQRBAF-UHFFFAOYSA-N	-1	3	366.465	2.391	20	30		FEEDHM
O=C(CCCCOc1ccc(Br)cc1)N=C1[N-]C(=O)CN1	ZINC000066621647	541348645	/nfs/dbraw/zinc/34/86/45/541348645.db2.gz	JJBCGDJLLGRZOP-UHFFFAOYSA-N	-1	3	354.204	2.441	20	30		FEEDHM
Cc1nc2ccccc2c(=O)n1CC(=O)Nc1nnc(-c2ccco2)[n-]1	ZINC000074352260	542073505	/nfs/dbraw/zinc/07/35/05/542073505.db2.gz	AVIYACWHCNSVSB-UHFFFAOYSA-N	-1	3	350.338	2.371	20	30		FEEDHM
Cc1nc2ccccc2c(=O)n1CC(=O)Nc1nc(-c2ccco2)n[n-]1	ZINC000074352260	542073510	/nfs/dbraw/zinc/07/35/10/542073510.db2.gz	AVIYACWHCNSVSB-UHFFFAOYSA-N	-1	3	350.338	2.371	20	30		FEEDHM
Cc1nc2ccccc2c(=O)n1CC(=O)Nc1n[n-]c(-c2ccco2)n1	ZINC000074352260	542073515	/nfs/dbraw/zinc/07/35/15/542073515.db2.gz	AVIYACWHCNSVSB-UHFFFAOYSA-N	-1	3	350.338	2.371	20	30		FEEDHM
Cc1nc(C)c(CC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)c(=O)[n-]1	ZINC000075298855	542167248	/nfs/dbraw/zinc/16/72/48/542167248.db2.gz	OQCMCJUDBNBBOS-QZTJIDSGSA-N	-1	3	350.422	2.228	20	30		FEEDHM
CS(=O)(=O)[N-]c1cc(C(=O)Nc2ccc(F)c(C#N)c2)ccc1F	ZINC000076881166	542327833	/nfs/dbraw/zinc/32/78/33/542327833.db2.gz	LWWYTEONUKIYNR-UHFFFAOYSA-N	-1	3	351.334	2.460	20	30		FEEDHM
N#Cc1nnc2ccccc2c1N1CCN(C(=O)c2ccccc2[O-])CC1	ZINC000077189464	542352717	/nfs/dbraw/zinc/35/27/17/542352717.db2.gz	GETHLLRQJZOTOU-UHFFFAOYSA-N	-1	3	359.389	2.169	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(CCC#N)CC(F)(F)F	ZINC000080856831	542611944	/nfs/dbraw/zinc/61/19/44/542611944.db2.gz	PHJGMVQOBJJDOF-UHFFFAOYSA-N	-1	3	354.332	2.101	20	30		FEEDHM
Cc1nc([C@@H]([N-]S(=O)(=O)CCCC#N)c2ccc(Cl)cc2)no1	ZINC000092335987	542857838	/nfs/dbraw/zinc/85/78/38/542857838.db2.gz	DSAQFGMFDAQUNL-ZDUSSCGKSA-N	-1	3	354.819	2.344	20	30		FEEDHM
N#Cc1ccccc1N1CCN(C(=O)c2c[n-]c3ccccc3c2=O)CC1	ZINC000101519728	543028648	/nfs/dbraw/zinc/02/86/48/543028648.db2.gz	IRRCAVCGYCAXMT-UHFFFAOYSA-N	-1	3	358.401	2.362	20	30		FEEDHM
Cc1c(C([O-])=C(C#N)c2ccccn2)nnn1-c1ccc2c(c1)OCCO2	ZINC000109184440	543317290	/nfs/dbraw/zinc/31/72/90/543317290.db2.gz	VDOJKDVGGWKCKP-CQSZACIVSA-N	-1	3	361.361	2.232	20	30		FEEDHM
C=CCCS(=O)(=O)[N-]c1cc(S(=O)(=O)C(F)F)ccc1NCC	ZINC000120207898	543677189	/nfs/dbraw/zinc/67/71/89/543677189.db2.gz	UQXMJJPKJGUDOG-UHFFFAOYSA-N	-1	3	368.427	2.433	20	30		FEEDHM
C[C@H](CC[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)[S@](C)=O	ZINC000124144791	543803077	/nfs/dbraw/zinc/80/30/77/543803077.db2.gz	LTJKIWQYIQUHMD-PVBMHHQDSA-N	-1	3	368.402	2.012	20	30		FEEDHM
N#CCN(CC#N)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1	ZINC000126646025	543948735	/nfs/dbraw/zinc/94/87/35/543948735.db2.gz	KOYWSAZRJLKBIY-UHFFFAOYSA-N	-1	3	372.381	2.116	20	30		FEEDHM
CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(F)cc1I	ZINC000127884820	544019367	/nfs/dbraw/zinc/01/93/67/544019367.db2.gz	QIXDTLLPDXUPHN-MRVPVSSYSA-N	-1	3	368.171	2.474	20	30		FEEDHM
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCc1ccc([O-])c(F)c1	ZINC000133049366	544253774	/nfs/dbraw/zinc/25/37/74/544253774.db2.gz	ZSVQDWUIYGGSFT-UHFFFAOYSA-N	-1	3	367.384	2.312	20	30		FEEDHM
N#Cc1cc(NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)ccc1F	ZINC000136813606	544379791	/nfs/dbraw/zinc/37/97/91/544379791.db2.gz	KMPIIDLKNMMDKA-UHFFFAOYSA-N	-1	3	368.368	2.393	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]CCN2CCc3sccc3C2)c(F)c1	ZINC000151096816	544504746	/nfs/dbraw/zinc/50/47/46/544504746.db2.gz	QJQSOQIHCFIOHU-UHFFFAOYSA-N	-1	3	365.455	2.095	20	30		FEEDHM
C#CCCCC(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl	ZINC000803490422	674245944	/nfs/dbraw/zinc/24/59/44/674245944.db2.gz	HKAWSTOVXWRVDK-UHFFFAOYSA-N	-1	3	363.266	2.191	20	30		FEEDHM
Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(-n2cnnn2)ccc1Cl	ZINC000180788256	327701897	/nfs/dbraw/zinc/70/18/97/327701897.db2.gz	RWROSXRSAQRVCZ-UHFFFAOYSA-N	-1	3	374.813	2.297	20	30		FEEDHM
COC(=O)[C@@H](C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)CC(C)C	ZINC000184923289	327890079	/nfs/dbraw/zinc/89/00/79/327890079.db2.gz	AULLSZQCLNGEGM-GFCCVEGCSA-N	-1	3	358.847	2.325	20	30		FEEDHM
N#Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2cccc3c2OCO3)c1	ZINC000186386531	327959602	/nfs/dbraw/zinc/95/96/02/327959602.db2.gz	CAOOXPRMCHWOSB-UHFFFAOYSA-N	-1	3	350.783	2.419	20	30		FEEDHM
Cc1cccc(C[C@H](CO)[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)c1	ZINC000188388699	328084050	/nfs/dbraw/zinc/08/40/50/328084050.db2.gz	GHTCXZDUWQZRGX-MRXNPFEDSA-N	-1	3	364.854	2.402	20	30		FEEDHM
COc1cnccc1[C@H](C)NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C	ZINC000189532699	328153641	/nfs/dbraw/zinc/15/36/41/328153641.db2.gz	NQIWAIUQIJHDGK-ZDUSSCGKSA-N	-1	3	354.410	2.077	20	30		FEEDHM
N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H](CO)Cc1ccccc1	ZINC000190490018	328210988	/nfs/dbraw/zinc/21/09/88/328210988.db2.gz	PUJSVZAZBOPMMV-CYBMUJFWSA-N	-1	3	350.827	2.094	20	30		FEEDHM
COc1cccc(CN(CCN(C)C)C(=O)c2ccc(C#N)c([O-])c2)c1	ZINC000191948900	328290112	/nfs/dbraw/zinc/29/01/12/328290112.db2.gz	OQNYCQMNIFRCDC-UHFFFAOYSA-N	-1	3	353.422	2.476	20	30		FEEDHM
COC(=O)C1([N-]S(=O)(=O)Cc2cccc(C#N)c2)CCCCCC1	ZINC000192967829	328349401	/nfs/dbraw/zinc/34/94/01/328349401.db2.gz	MUUKVIQYUTXJFY-UHFFFAOYSA-N	-1	3	350.440	2.244	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H](CCO)c1ccccc1	ZINC000086529629	325267311	/nfs/dbraw/zinc/26/73/11/325267311.db2.gz	MXGKCLFTMVKWDU-KRWDZBQOSA-N	-1	3	367.449	2.078	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCN(C)c2ccccc21	ZINC000110478762	325687923	/nfs/dbraw/zinc/68/79/23/325687923.db2.gz	OQJJXWKFZBJHEH-UHFFFAOYSA-N	-1	3	350.422	2.279	20	30		FEEDHM
CC(C)[C@H]1OCCC[C@@H]1C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000125507772	326472982	/nfs/dbraw/zinc/47/29/82/326472982.db2.gz	NPWMAXRYOODNLA-MLGOLLRUSA-N	-1	3	367.427	2.196	20	30		FEEDHM
CN(C)c1ncccc1C[N-]S(=O)(=O)c1cccc(Cl)c1C#N	ZINC000156480229	326832666	/nfs/dbraw/zinc/83/26/66/326832666.db2.gz	NEEBWMZJSGAOQK-UHFFFAOYSA-N	-1	3	350.831	2.151	20	30		FEEDHM
N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C[C@H](O)Cc1ccccc1	ZINC000161062314	326986734	/nfs/dbraw/zinc/98/67/34/326986734.db2.gz	KHWGIHWDZCUQSG-CYBMUJFWSA-N	-1	3	350.827	2.094	20	30		FEEDHM
N#Cc1ccccc1N1CCN(C(=O)NCc2ccc([O-])c(F)c2)CC1	ZINC000163754099	327058106	/nfs/dbraw/zinc/05/81/06/327058106.db2.gz	JCKCCRCJCDMNTP-UHFFFAOYSA-N	-1	3	354.385	2.435	20	30		FEEDHM
C[C@H]1C[C@@H]([N-]S(=O)(=O)Cc2cccc(C#N)c2)C(=O)N1c1ccccc1	ZINC000173685420	327276920	/nfs/dbraw/zinc/27/69/20/327276920.db2.gz	YTWRUTIVFPJDAL-KBXCAEBGSA-N	-1	3	369.446	2.172	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC(=O)N(C)C1CCCCC1	ZINC000267123935	329294373	/nfs/dbraw/zinc/29/43/73/329294373.db2.gz	AYMXGCKTJSZCKE-UHFFFAOYSA-N	-1	3	372.469	2.116	20	30		FEEDHM
COCCOc1ccc(C#N)cc1NC(=O)CCc1c(C)nc(C)[n-]c1=O	ZINC000273167770	329842529	/nfs/dbraw/zinc/84/25/29/329842529.db2.gz	VKJHIJRKARBVQK-UHFFFAOYSA-N	-1	3	370.409	2.267	20	30		FEEDHM
CC(C)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)c1nnc2ccccn21	ZINC000155684738	545558195	/nfs/dbraw/zinc/55/81/95/545558195.db2.gz	LCBAEKDZIDAMNT-MRXNPFEDSA-N	-1	3	373.413	2.416	20	30		FEEDHM
COC(=O)c1cc(C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)oc1C	ZINC000156410512	545625394	/nfs/dbraw/zinc/62/53/94/545625394.db2.gz	YMAJEXADIOIKMA-UHFFFAOYSA-N	-1	3	368.798	2.378	20	30		FEEDHM
C[N-]S(=O)(=O)c1ccc(CNC(=O)c2ccc(C#N)c(Cl)c2)s1	ZINC000159890123	545989157	/nfs/dbraw/zinc/98/91/57/545989157.db2.gz	CYPBSDKABDDLSX-UHFFFAOYSA-N	-1	3	369.855	2.111	20	30		FEEDHM
C=C(C)COCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F	ZINC000163471892	546144579	/nfs/dbraw/zinc/14/45/79/546144579.db2.gz	VMTLZVWYSWLEGL-UHFFFAOYSA-N	-1	3	368.333	2.485	20	30		FEEDHM
N#CCCCCS(=O)(=O)[N-][C@@H]1CCN(c2cccc(Cl)c2)C1=O	ZINC000175661595	546329582	/nfs/dbraw/zinc/32/95/82/546329582.db2.gz	YNUFYZZGTAVTDP-CQSZACIVSA-N	-1	3	355.847	2.059	20	30		FEEDHM
Cc1nc(S(=O)(=O)[N-]CC#Cc2ccc(C(F)(F)F)cc2)cn1C	ZINC000176734071	546481400	/nfs/dbraw/zinc/48/14/00/546481400.db2.gz	RXEBTJDUNRCVNL-UHFFFAOYSA-N	-1	3	357.357	2.077	20	30		FEEDHM
CO[C@H](C)c1nc(C[N-]S(=O)(=O)Cc2ccc(C#N)cc2F)cs1	ZINC000480742308	561215739	/nfs/dbraw/zinc/21/57/39/561215739.db2.gz	WEEURAXLQRKEOE-SNVBAGLBSA-N	-1	3	369.443	2.481	20	30		FEEDHM
CN(C)[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl)c1ccco1	ZINC000183396590	547650738	/nfs/dbraw/zinc/65/07/38/547650738.db2.gz	QFEURENEMGIRBY-ZDUSSCGKSA-N	-1	3	353.831	2.386	20	30		FEEDHM
C#C[C@H](C)NC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl	ZINC000185360844	547975653	/nfs/dbraw/zinc/97/56/53/547975653.db2.gz	PPNRJEVWIUJPHQ-QMMMGPOBSA-N	-1	3	361.250	2.186	20	30		FEEDHM
C[C@@H](CC#N)[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1	ZINC000186808924	548198345	/nfs/dbraw/zinc/19/83/45/548198345.db2.gz	CRVSEHSIQAPGET-RYUDHWBXSA-N	-1	3	358.847	2.336	20	30		FEEDHM
CC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C#N)nc2)c1	ZINC000195445227	548640791	/nfs/dbraw/zinc/64/07/91/548640791.db2.gz	GLNUIBUHLVTXLG-UHFFFAOYSA-N	-1	3	350.787	2.366	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1cccc(NC(N)=O)c1	ZINC000488608296	561392954	/nfs/dbraw/zinc/39/29/54/561392954.db2.gz	DQQFMOGJNHFWNP-UHFFFAOYSA-N	-1	3	367.409	2.015	20	30		FEEDHM
Cc1cc(N2CCC(/N=C/c3c([O-])c(C)ncc3CO)CC2)nc(C)n1	ZINC000267456721	550031542	/nfs/dbraw/zinc/03/15/42/550031542.db2.gz	TYCFILOATWAXJZ-UFFVCSGVSA-N	-1	3	355.442	2.083	20	30		FEEDHM
Cc1cc(-c2noc([C@H](C)[N-]S(=O)(=O)CCCC#N)n2)ccc1F	ZINC000268440316	550065606	/nfs/dbraw/zinc/06/56/06/550065606.db2.gz	CROVOOOLBYKSBG-NSHDSACASA-N	-1	3	352.391	2.468	20	30		FEEDHM
Cc1ncc(CO)c(/C=N/[C@H]2CC(=O)N(c3c(F)cccc3F)C2)c1[O-]	ZINC000271451053	550376517	/nfs/dbraw/zinc/37/65/17/550376517.db2.gz	URGUKEHLVIYZRB-UOERRNGJSA-N	-1	3	361.348	2.091	20	30		FEEDHM
N#Cc1ccc(N2CCC[C@@H]([N-]S(=O)(=O)Cc3ccccc3)C2=O)cc1	ZINC000272395487	550443400	/nfs/dbraw/zinc/44/34/00/550443400.db2.gz	JCXBAORKRZJJCJ-GOSISDBHSA-N	-1	3	369.446	2.173	20	30		FEEDHM
C=CCCO[C@@H](C)c1nc(-c2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)no1	ZINC000274043876	550520765	/nfs/dbraw/zinc/52/07/65/550520765.db2.gz	UPGWIIGZVHWKCE-BBATYDOGSA-N	-1	3	356.382	2.445	20	30		FEEDHM
CCOC(=O)[C@@H]([N-]S(=O)(=O)CCCCC#N)c1ccc(OC)c(F)c1	ZINC000274702353	550549883	/nfs/dbraw/zinc/54/98/83/550549883.db2.gz	WBJXHHXLWOZJNX-HNNXBMFYSA-N	-1	3	372.418	2.052	20	30		FEEDHM
C=CCCN(C)C(=O)c1cc(C2CC2)nc2c1c(=O)[n-]c(=O)n2CCC	ZINC000276145765	550576903	/nfs/dbraw/zinc/57/69/03/550576903.db2.gz	OBGKZVXIQZGXLC-UHFFFAOYSA-N	-1	3	356.426	2.433	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-][C@H]1CCO[C@H](c2ccc(F)cc2)C1	ZINC000277210528	550643714	/nfs/dbraw/zinc/64/37/14/550643714.db2.gz	QQIXMRZYRPFLRN-HOCLYGCPSA-N	-1	3	361.398	2.291	20	30		FEEDHM
C=C[C@](C)(O)CC(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O	ZINC000279470154	550893860	/nfs/dbraw/zinc/89/38/60/550893860.db2.gz	PRFAUYBEFYOLKS-ZDUSSCGKSA-N	-1	3	366.361	2.343	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCCO[C@@H]1CCCCO1	ZINC000280816527	551035134	/nfs/dbraw/zinc/03/51/34/551035134.db2.gz	RVIHOOVFJNSXHM-GOSISDBHSA-N	-1	3	361.442	2.258	20	30		FEEDHM
C=CCN1CC[C@@H](N(C)C(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)C1=O	ZINC000282092952	551179888	/nfs/dbraw/zinc/17/98/88/551179888.db2.gz	VLCXEPYUOXXQOM-OAHLLOKOSA-N	-1	3	357.385	2.247	20	30		FEEDHM
Cc1ncc(CO)c(/C=N/[C@H]2CCN(C(=O)Nc3ccccc3)C2)c1[O-]	ZINC000282617314	551252565	/nfs/dbraw/zinc/25/25/65/551252565.db2.gz	NYMFRTLXSMUOPA-CTJICSLTSA-N	-1	3	354.410	2.313	20	30		FEEDHM
Cc1nc([N-]C(=O)c2ccc(S(C)(=O)=O)o2)sc1SCC#N	ZINC000497803521	561509147	/nfs/dbraw/zinc/50/91/47/561509147.db2.gz	FSHVMASIZGGODJ-UHFFFAOYSA-N	-1	3	357.438	2.316	20	30		FEEDHM
Cc1noc(C(C)(C)[N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)n1	ZINC000284586161	551583402	/nfs/dbraw/zinc/58/34/02/551583402.db2.gz	HLYAVDXFGNYGPL-UHFFFAOYSA-N	-1	3	374.344	2.482	20	30		FEEDHM
C#CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1c(C)nn(C)c1Cl	ZINC000285332550	551739763	/nfs/dbraw/zinc/73/97/63/551739763.db2.gz	NZXOLOAYQWNLQW-AWEZNQCLSA-N	-1	3	351.859	2.295	20	30		FEEDHM
C#CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cnc(NC(C)=O)s1	ZINC000286682512	551914171	/nfs/dbraw/zinc/91/41/71/551914171.db2.gz	LHHKDXISBLWVMV-CQSZACIVSA-N	-1	3	363.464	2.014	20	30		FEEDHM
CCOC(=O)c1nnc(C2CCN(C(=O)c3ccc(F)c(C#N)c3)CC2)[n-]1	ZINC000287081866	551961487	/nfs/dbraw/zinc/96/14/87/551961487.db2.gz	NIMSTFYRHXXXGG-UHFFFAOYSA-N	-1	3	371.372	2.012	20	30		FEEDHM
CCOC(=O)c1nc(C2CCN(C(=O)c3ccc(F)c(C#N)c3)CC2)n[n-]1	ZINC000287081866	551961489	/nfs/dbraw/zinc/96/14/89/551961489.db2.gz	NIMSTFYRHXXXGG-UHFFFAOYSA-N	-1	3	371.372	2.012	20	30		FEEDHM
C[C@@H]1COCC[C@H]1[N-]S(=O)(=O)c1cccc(Br)c1C#N	ZINC000287255878	551981857	/nfs/dbraw/zinc/98/18/57/551981857.db2.gz	HNKIMFOFSQWYOX-BXKDBHETSA-N	-1	3	359.245	2.024	20	30		FEEDHM
CC[C@@]([N-]S(=O)(=O)Cc1ccc(C#N)cc1)(C(=O)OC)c1ccccc1	ZINC000288259312	552120996	/nfs/dbraw/zinc/12/09/96/552120996.db2.gz	HHTGQYJECBFFPQ-IBGZPJMESA-N	-1	3	372.446	2.456	20	30		FEEDHM
N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CCCO[C@H]2CCCCO2)c1	ZINC000289178563	552278209	/nfs/dbraw/zinc/27/82/09/552278209.db2.gz	NDCXTKLPIAIGNH-HNNXBMFYSA-N	-1	3	358.847	2.423	20	30		FEEDHM
N#Cc1ccc(CN2CCC[C@H](c3nc(=O)[n-][nH]3)C2)c(Br)c1	ZINC000289349281	552305311	/nfs/dbraw/zinc/30/53/11/552305311.db2.gz	FYKKMHPXILACRK-LBPRGKRZSA-N	-1	3	362.231	2.112	20	30		FEEDHM
N#Cc1ccc(CC(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cc1	ZINC000290392374	552472088	/nfs/dbraw/zinc/47/20/88/552472088.db2.gz	PCGFIPNIYKPOCC-CQSZACIVSA-N	-1	3	353.344	2.018	20	30		FEEDHM
C=CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)C(C)C)cc1	ZINC000291930969	552676142	/nfs/dbraw/zinc/67/61/42/552676142.db2.gz	WNQJVMJMLOSHIV-UHFFFAOYSA-N	-1	3	360.501	2.423	20	30		FEEDHM
C#CCO[C@@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O	ZINC000294431008	552905824	/nfs/dbraw/zinc/90/58/24/552905824.db2.gz	AIJQOKGCMGXIFV-VIFPVBQESA-N	-1	3	364.345	2.054	20	30		FEEDHM
CC(C)c1nc(C[N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)n[nH]1	ZINC000295354798	552992719	/nfs/dbraw/zinc/99/27/19/552992719.db2.gz	ROTJGMHNACGQLW-UHFFFAOYSA-N	-1	3	373.360	2.297	20	30		FEEDHM
CCC[C@H](C)CS(=O)(=O)[N-][C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000503777019	561648097	/nfs/dbraw/zinc/64/80/97/561648097.db2.gz	SXGOPRGRFQMXRD-YOEHRIQHSA-N	-1	3	363.483	2.409	20	30		FEEDHM
CC(C)c1nc([C@H](C)[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)n[nH]1	ZINC000503862709	561649252	/nfs/dbraw/zinc/64/92/52/561649252.db2.gz	QKVVRYUOTISJHD-VIFPVBQESA-N	-1	3	353.835	2.493	20	30		FEEDHM
CCOC(=O)[C@@H]1CCCCN1C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C	ZINC000299663908	553599623	/nfs/dbraw/zinc/59/96/23/553599623.db2.gz	NRYDWZOTFDEVOI-INIZCTEOSA-N	-1	3	359.426	2.153	20	30		FEEDHM
CC[C@@](C)([N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C(=O)OC	ZINC000299665767	553599918	/nfs/dbraw/zinc/59/99/18/553599918.db2.gz	WZVPKZLVNHWSHQ-CYBMUJFWSA-N	-1	3	364.345	2.197	20	30		FEEDHM
Cc1ccc(N2CCC([N-]S(=O)(=O)c3cccs3)CC2)nc1C#N	ZINC000302617442	553723573	/nfs/dbraw/zinc/72/35/73/553723573.db2.gz	DKUPNAUTMRKBLI-UHFFFAOYSA-N	-1	3	362.480	2.271	20	30		FEEDHM
Cc1nc(S(=O)(=O)[N-]CC(=O)N[C@H]2CCCc3sccc32)cn1C	ZINC000329777182	554003831	/nfs/dbraw/zinc/00/38/31/554003831.db2.gz	OTAAZOLMDSNKLT-LBPRGKRZSA-N	-1	3	368.484	2.102	20	30		FEEDHM
CC(=O)N1CC[C@H](NC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)C1	ZINC000329898461	554027111	/nfs/dbraw/zinc/02/71/11/554027111.db2.gz	DUXFUKBISCMRGC-HNNXBMFYSA-N	-1	3	355.398	2.104	20	30		FEEDHM
CS(=O)(=O)N1CCC[C@@H](NC(=O)c2cc([O-])ccc2C(F)(F)F)C1	ZINC000330428820	554120639	/nfs/dbraw/zinc/12/06/39/554120639.db2.gz	LGGZSUVMMFCCAI-SECBINFHSA-N	-1	3	366.361	2.140	20	30		FEEDHM
COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@@](C)(C#N)CCSC	ZINC000508074676	561750331	/nfs/dbraw/zinc/75/03/31/561750331.db2.gz	RUSNCCVVCRNRCI-CYBMUJFWSA-N	-1	3	362.498	2.157	20	30		FEEDHM
C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCCO[C@H]2C(C)(C)C)cn1	ZINC000330992839	554198626	/nfs/dbraw/zinc/19/86/26/554198626.db2.gz	HMUJVERSZMEEIN-SWLSCSKDSA-N	-1	3	369.487	2.136	20	30		FEEDHM
Cc1ccc(C(=O)NCCC(=O)N2CCC[C@](O)(C(F)(F)F)C2)c([O-])c1	ZINC000331230228	554234320	/nfs/dbraw/zinc/23/43/20/554234320.db2.gz	HRSYUXJNAMVMMX-MRXNPFEDSA-N	-1	3	374.359	2.311	20	30		FEEDHM
N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCOC2(CCOCC2)C1	ZINC000331373143	554253180	/nfs/dbraw/zinc/25/31/80/554253180.db2.gz	CPHCBOHXCISXQX-CQSZACIVSA-N	-1	3	370.858	2.218	20	30		FEEDHM
Cn1cc(C#N)c(=NC(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)[n-]1	ZINC000610562951	554529244	/nfs/dbraw/zinc/52/92/44/554529244.db2.gz	MDHNCQXRPDFGMO-MRXNPFEDSA-N	-1	3	352.442	2.325	20	30		FEEDHM
Cc1nc(C(=O)NC2CCN(C(=O)c3cccc([O-])c3)CC2)ccc1C#N	ZINC000363156387	555042261	/nfs/dbraw/zinc/04/22/61/555042261.db2.gz	KGDSOVJRKKOBLT-UHFFFAOYSA-N	-1	3	364.405	2.002	20	30		FEEDHM
C=C[C@@](C)(CC)C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl	ZINC000511978179	561887614	/nfs/dbraw/zinc/88/76/14/561887614.db2.gz	SJQIOHFSUXFCQA-HNNXBMFYSA-N	-1	3	362.854	2.476	20	30		FEEDHM
Cc1nc(C(=O)N=c2nc(-c3ccccc3Cl)[n-]n2C)ccc1C#N	ZINC000365808024	555671991	/nfs/dbraw/zinc/67/19/91/555671991.db2.gz	HNKJKTMKAANUEP-UHFFFAOYSA-N	-1	3	352.785	2.385	20	30		FEEDHM
N#CC(CCN1CCN2C(=O)[N-]C(=O)[C@@H]2C1)(c1ccccc1)c1ccccc1	ZINC000516534727	562046384	/nfs/dbraw/zinc/04/63/84/562046384.db2.gz	UYIGDRPKQPOGLQ-IBGZPJMESA-N	-1	3	374.444	2.122	20	30		FEEDHM
N#Cc1ncn(C2CCN(Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])CC2)n1	ZINC000373481753	557701655	/nfs/dbraw/zinc/70/16/55/557701655.db2.gz	QNQBKZJCGFCWPR-UHFFFAOYSA-N	-1	3	362.777	2.254	20	30		FEEDHM
N#Cc1ccc(N2CCN(C(=O)Cc3ccc([O-])cc3Cl)CC2)cn1	ZINC000374908245	557949799	/nfs/dbraw/zinc/94/97/99/557949799.db2.gz	FVXDWKRWNDYKBP-UHFFFAOYSA-N	-1	3	356.813	2.204	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H](CO)Cc1ccccc1	ZINC000522858577	562204935	/nfs/dbraw/zinc/20/49/35/562204935.db2.gz	XASJQSGPFJMJPI-QGZVFWFLSA-N	-1	3	367.449	2.176	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@H](C2CCOCC2)C1	ZINC000378280577	558518813	/nfs/dbraw/zinc/51/88/13/558518813.db2.gz	FWSYQMORLCCEQS-INIZCTEOSA-N	-1	3	357.454	2.483	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]Cc2cccc(-n3ccnc3)c2)c(F)c1	ZINC000523569416	562215398	/nfs/dbraw/zinc/21/53/98/562215398.db2.gz	VNXMQZFMOFVQJM-UHFFFAOYSA-N	-1	3	356.382	2.362	20	30		FEEDHM
CCCC[C@H]([N-]S(=O)(=O)N(CC)C[C@@H](C)C#N)C(=O)OC(C)(C)C	ZINC000409505001	558698504	/nfs/dbraw/zinc/69/85/04/558698504.db2.gz	WLURYMMBKHZPMQ-KBPBESRZSA-N	-1	3	361.508	2.203	20	30		FEEDHM
Cc1nc(NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)sc1SCC#N	ZINC000524648776	562231607	/nfs/dbraw/zinc/23/16/07/562231607.db2.gz	IHSNITVNPPVBPD-UHFFFAOYSA-N	-1	3	358.404	2.203	20	30		FEEDHM
CC(C)(C)n1ncnc1C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl	ZINC000409913935	558726912	/nfs/dbraw/zinc/72/69/12/558726912.db2.gz	ZHJJPZVXIZZJEE-UHFFFAOYSA-N	-1	3	353.835	2.037	20	30		FEEDHM
CC(C)c1nc(S(=O)(=O)[N-][C@]2(C#N)CCc3ccccc3C2)cn1C	ZINC000414463120	559165712	/nfs/dbraw/zinc/16/57/12/559165712.db2.gz	ZZBSWAPKZBERLH-GOSISDBHSA-N	-1	3	358.467	2.273	20	30		FEEDHM
CCC(O)(CC)C[N-]S(=O)(=O)c1cc(Br)ccc1C#N	ZINC000416404349	559310341	/nfs/dbraw/zinc/31/03/41/559310341.db2.gz	PZVATUSKMDDQKQ-UHFFFAOYSA-N	-1	3	361.261	2.150	20	30		FEEDHM
CCC1(C[N-]S(=O)(=O)c2cc(Br)ccc2C#N)COC1	ZINC000416496059	559317804	/nfs/dbraw/zinc/31/78/04/559317804.db2.gz	OFFOTBQKWPDSHI-UHFFFAOYSA-N	-1	3	359.245	2.026	20	30		FEEDHM
C[C@H]1CSC[C@H]1[N-]S(=O)(=O)c1cc(Br)ccc1C#N	ZINC000416480663	559316274	/nfs/dbraw/zinc/31/62/74/559316274.db2.gz	AWSRXCWSLTWLRX-GZMMTYOYSA-N	-1	3	361.286	2.351	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCC[C@@H](CO)C2)c(C(F)(F)F)c1	ZINC000416645487	559327267	/nfs/dbraw/zinc/32/72/67/559327267.db2.gz	UOJZANWYWZWJKD-NEPJUHHUSA-N	-1	3	362.373	2.406	20	30		FEEDHM
N#CC1(CNC(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)CCC1	ZINC000416949366	559339789	/nfs/dbraw/zinc/33/97/89/559339789.db2.gz	CKAWWHZNHTZMCW-UHFFFAOYSA-N	-1	3	366.418	2.082	20	30		FEEDHM
COc1ccc(Br)c(S(=O)(=O)[N-][C@@H]2CC[C@H](C#N)C2)c1	ZINC000425189957	559690153	/nfs/dbraw/zinc/69/01/53/559690153.db2.gz	PHOKCUBHFQNIIW-VHSXEESVSA-N	-1	3	359.245	2.428	20	30		FEEDHM
CC(C)C[C@H](C[N-]S(=O)(=O)c1cccnc1C#N)C(=O)OC(C)(C)C	ZINC000425191438	559690357	/nfs/dbraw/zinc/69/03/57/559690357.db2.gz	WBHWATCCGMFHAT-CYBMUJFWSA-N	-1	3	367.471	2.236	20	30		FEEDHM
C=CCCn1cc(C(=O)[N-]c2cc3c(cc2[N+](=O)[O-])OCCCO3)nn1	ZINC000425416611	559701202	/nfs/dbraw/zinc/70/12/02/559701202.db2.gz	KRSCEJOGSKAJBB-UHFFFAOYSA-N	-1	3	359.342	2.176	20	30		FEEDHM
Cc1nc(SCC(=O)Nc2c(C)[nH]c(=O)[n-]c2=O)c(C#N)c(C)c1C	ZINC000427133021	559748718	/nfs/dbraw/zinc/74/87/18/559748718.db2.gz	JQZSKEVCDUWHAZ-UHFFFAOYSA-N	-1	3	359.411	2.119	20	30		FEEDHM
Cc1cnc(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)c([O-])c1	ZINC000428046113	559768540	/nfs/dbraw/zinc/76/85/40/559768540.db2.gz	DFHKFYAHUOGYQX-UHFFFAOYSA-N	-1	3	350.422	2.384	20	30		FEEDHM
CC(C)(C[N-]S(=O)(=O)c1cccnc1C#N)N1CCc2ccccc2C1	ZINC000428238188	559772047	/nfs/dbraw/zinc/77/20/47/559772047.db2.gz	KWIAYKSQKOEBGX-UHFFFAOYSA-N	-1	3	370.478	2.068	20	30		FEEDHM
CCc1ccc([C@@H](C[N-]S(=O)(=O)c2cccnc2C#N)N(C)C)cc1	ZINC000428241697	559772093	/nfs/dbraw/zinc/77/20/93/559772093.db2.gz	RNXAPMWCVBFAPJ-QGZVFWFLSA-N	-1	3	358.467	2.097	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)c1cccnc1C#N)c1cccc(-n2cccn2)c1	ZINC000428366504	559774021	/nfs/dbraw/zinc/77/40/21/559774021.db2.gz	YBKVZOTTZOMVJC-ZDUSSCGKSA-N	-1	3	353.407	2.178	20	30		FEEDHM
Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cccc(S(C)(=O)=O)c3)nc1-2	ZINC000429566640	559801551	/nfs/dbraw/zinc/80/15/51/559801551.db2.gz	DMWKIPNLJBOTAA-ZDUSSCGKSA-N	-1	3	354.391	2.160	20	30		FEEDHM
CCC[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C(=O)OCC	ZINC000433472454	559882619	/nfs/dbraw/zinc/88/26/19/559882619.db2.gz	WEOHZPMQRLQDCR-LBPRGKRZSA-N	-1	3	358.847	2.469	20	30		FEEDHM
COc1ccc([N+](=O)[O-])cc1C[N-]S(=O)(=O)c1ccc(C#N)s1	ZINC000435435531	559922982	/nfs/dbraw/zinc/92/29/82/559922982.db2.gz	BRGJSRCMFPPJGX-UHFFFAOYSA-N	-1	3	353.381	2.015	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]CCCN2CCc3ccccc3C2)s1	ZINC000435442446	559923156	/nfs/dbraw/zinc/92/31/56/559923156.db2.gz	INCOKTWUVCPRNE-UHFFFAOYSA-N	-1	3	361.492	2.346	20	30		FEEDHM
C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-]	ZINC000435580055	559925422	/nfs/dbraw/zinc/92/54/22/559925422.db2.gz	OMWGYZJVSNDKTD-CZUORRHYSA-N	-1	3	354.428	2.471	20	30		FEEDHM
Cc1nnc(NC2CCN(C(=O)c3ccccc3[O-])CC2)c(C#N)c1C	ZINC000436578599	559945771	/nfs/dbraw/zinc/94/57/71/559945771.db2.gz	RQCZUSHEVBHFLT-UHFFFAOYSA-N	-1	3	351.410	2.387	20	30		FEEDHM
C=CCOc1cc(OC)ccc1C(=O)NCCNC(=O)c1ccc([O-])cc1	ZINC000436786755	559952043	/nfs/dbraw/zinc/95/20/43/559952043.db2.gz	ZCNHUDPKOJGMJC-UHFFFAOYSA-N	-1	3	370.405	2.125	20	30		FEEDHM
COc1ccc(C#N)cc1NC(=O)CCNC(=O)c1ccc(C)cc1[O-]	ZINC000436955665	559957533	/nfs/dbraw/zinc/95/75/33/559957533.db2.gz	HSIQVAZNOMOKLF-UHFFFAOYSA-N	-1	3	353.378	2.340	20	30		FEEDHM
C/C=C/C[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C(=O)OCC	ZINC000440096004	560004641	/nfs/dbraw/zinc/00/46/41/560004641.db2.gz	YCVXLVPKTBAKGY-LQPUYASZSA-N	-1	3	356.831	2.388	20	30		FEEDHM
COc1ccc(CC[N-]S(=O)(=O)c2ccc(F)cc2C#N)c(OC)c1	ZINC000443036475	560067151	/nfs/dbraw/zinc/06/71/51/560067151.db2.gz	FCQIKWKCXPNMRP-UHFFFAOYSA-N	-1	3	364.398	2.236	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1nnc2ccccn21	ZINC000443089772	560070259	/nfs/dbraw/zinc/07/02/59/560070259.db2.gz	AZSQRTJKGUQIOS-JTQLQIEISA-N	-1	3	361.814	2.294	20	30		FEEDHM
N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CCCN1CCCCCC1=O	ZINC000443096264	560070491	/nfs/dbraw/zinc/07/04/91/560070491.db2.gz	VCALIHNEKYOENK-UHFFFAOYSA-N	-1	3	369.874	2.283	20	30		FEEDHM
CN(C)[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N)c1ccco1	ZINC000443106667	560070989	/nfs/dbraw/zinc/07/09/89/560070989.db2.gz	WOQKEMJZIWRXOA-CYBMUJFWSA-N	-1	3	353.831	2.386	20	30		FEEDHM
N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](CO)c1ccc(F)cc1	ZINC000443273001	560077234	/nfs/dbraw/zinc/07/72/34/560077234.db2.gz	NTWZTPOCAHEKBQ-AWEZNQCLSA-N	-1	3	354.790	2.363	20	30		FEEDHM
N#CCN1CCC[C@@H](CNC(=O)Cc2ccc(Br)cc2[O-])C1	ZINC000444670399	560118046	/nfs/dbraw/zinc/11/80/46/560118046.db2.gz	HZELLSGTGZXSJZ-LBPRGKRZSA-N	-1	3	366.259	2.049	20	30		FEEDHM
N#Cc1ccc(N2CCC[C@H](NC(=O)Cc3ccc([O-])c(F)c3)C2=O)cc1	ZINC000450509937	560264577	/nfs/dbraw/zinc/26/45/77/560264577.db2.gz	MDWCDCKDUZELOI-KRWDZBQOSA-N	-1	3	367.380	2.257	20	30		FEEDHM
C=CC(C)(C)CNS(=O)(=O)c1ccc([N-]S(=O)(=O)CC)c(F)c1	ZINC000451816374	560330368	/nfs/dbraw/zinc/33/03/68/560330368.db2.gz	YSZNOIXHDIOAGJ-UHFFFAOYSA-N	-1	3	364.464	2.078	20	30		FEEDHM
C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1Cl	ZINC000451912130	560336733	/nfs/dbraw/zinc/33/67/33/560336733.db2.gz	RWIPGRAGEPDPJG-OLZOCXBDSA-N	-1	3	359.831	2.139	20	30		FEEDHM
C=CCC[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C(=O)OCC	ZINC000451986699	560342750	/nfs/dbraw/zinc/34/27/50/560342750.db2.gz	FTGZDHHPZLTZPC-ZDUSSCGKSA-N	-1	3	356.831	2.388	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nc(CN(C)C)cs1	ZINC000457302851	560561389	/nfs/dbraw/zinc/56/13/89/560561389.db2.gz	ZCWGLBGOKMIEPL-UHFFFAOYSA-N	-1	3	359.455	2.365	20	30		FEEDHM
Cn1c2cc([O-])c(NC(=O)CCc3ccc(C#N)cc3)cc2n(C)c1=O	ZINC000461607244	560776242	/nfs/dbraw/zinc/77/62/42/560776242.db2.gz	IHNXSANLHLBTQH-UHFFFAOYSA-N	-1	3	350.378	2.026	20	30		FEEDHM
C[C@@H](C(=O)Nc1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1)c1cccc(C#N)c1	ZINC000461919131	560788077	/nfs/dbraw/zinc/78/80/77/560788077.db2.gz	MFLPNTJMYFQJSC-MPBGBICISA-N	-1	3	362.389	2.355	20	30		FEEDHM
C=CCCN(C)S(=O)(=O)c1ccc([N-]S(=O)(=O)CCCC)cc1	ZINC000466727371	560893826	/nfs/dbraw/zinc/89/38/26/560893826.db2.gz	ICBGGICDOPBOCM-UHFFFAOYSA-N	-1	3	360.501	2.425	20	30		FEEDHM
C[C@@H](C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)N1CCCC[C@@H]1C	ZINC000467156776	560905162	/nfs/dbraw/zinc/90/51/62/560905162.db2.gz	CFXFSSRZIOTLPE-RYUDHWBXSA-N	-1	3	357.426	2.378	20	30		FEEDHM
N#Cc1cc(C(=O)N2CCN(C(=O)c3cccc([O-])c3)CC2)ccc1F	ZINC000469720727	560962736	/nfs/dbraw/zinc/96/27/36/560962736.db2.gz	KMQYLZNCZNPCDI-UHFFFAOYSA-N	-1	3	353.353	2.001	20	30		FEEDHM
N#Cc1ccc(-n2ccc(NC(=O)NCc3ncccc3[O-])n2)c(Cl)c1	ZINC000469923369	560968989	/nfs/dbraw/zinc/96/89/89/560968989.db2.gz	LOZKFJHFBJJKHL-UHFFFAOYSA-N	-1	3	368.784	2.820	20	30		FEEDHM
C=CCn1c(=O)[n-]nc1S[C@H](C)C(=O)Nc1ccc(OC)c(OC)c1	ZINC000470817715	560990788	/nfs/dbraw/zinc/99/07/88/560990788.db2.gz	RKCVYHTYKQDVGH-SNVBAGLBSA-N	-1	3	364.427	2.306	20	30		FEEDHM
C=CCn1c(=O)[n-]nc1SCC(=O)NCCc1cccc2cccnc21	ZINC000470833253	560991010	/nfs/dbraw/zinc/99/10/10/560991010.db2.gz	SMPTZSBICSGSNW-UHFFFAOYSA-N	-1	3	369.450	2.169	20	30		FEEDHM
C=CCn1c(=O)[n-]nc1SCc1nc(-c2ccc3c(c2)OCO3)no1	ZINC000470836994	560991215	/nfs/dbraw/zinc/99/12/15/560991215.db2.gz	QQLBTIVXYCMUIE-UHFFFAOYSA-N	-1	3	359.367	2.241	20	30		FEEDHM
C=C(C)CN(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)[N-]C)nc1	ZINC000473383143	561049055	/nfs/dbraw/zinc/04/90/55/561049055.db2.gz	MRRJIXZCBSAOCY-UHFFFAOYSA-N	-1	3	359.451	2.208	20	30		FEEDHM
N#Cc1cc(Br)cc(S(=O)(=O)[N-]CCOC(F)(F)F)c1	ZINC000474378365	561072747	/nfs/dbraw/zinc/07/27/47/561072747.db2.gz	TWIQLOSMUYTLKS-UHFFFAOYSA-N	-1	3	373.150	2.135	20	30		FEEDHM
N#CC1(CS(=O)(=O)[N-]C[C@@H](c2ccco2)N2CCCCC2)CCC1	ZINC000474573395	561077200	/nfs/dbraw/zinc/07/72/00/561077200.db2.gz	FXPSDGXTZFXKSI-HNNXBMFYSA-N	-1	3	351.472	2.420	20	30		FEEDHM
COc1cccc(CC[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)n1	ZINC000476342261	561117157	/nfs/dbraw/zinc/11/71/57/561117157.db2.gz	OBWZERBPUZGBRP-UHFFFAOYSA-N	-1	3	351.815	2.136	20	30		FEEDHM
N#Cc1ccc(Oc2ccc(C(=O)N3CCc4nc[n-]c(=O)c4C3)cc2)nc1	ZINC000476973738	561133381	/nfs/dbraw/zinc/13/33/81/561133381.db2.gz	YMHUQEHGPMNSLA-UHFFFAOYSA-N	-1	3	373.372	2.440	20	30		FEEDHM
CCn1cnc(S(=O)(=O)[N-][C@H](C#N)c2cccc(C(F)(F)F)c2)c1	ZINC000536126521	562572928	/nfs/dbraw/zinc/57/29/28/562572928.db2.gz	SFQGJRAGWMJJAW-GFCCVEGCSA-N	-1	3	358.345	2.465	20	30		FEEDHM
COc1ccccc1[C@@H](CO)NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C	ZINC000536478479	562576604	/nfs/dbraw/zinc/57/66/04/562576604.db2.gz	KCNKKNCCICFAOX-QGZVFWFLSA-N	-1	3	369.421	2.067	20	30		FEEDHM
N#CCN(C(=O)Cc1csc(NC(=O)c2cccc([O-])c2)n1)C1CC1	ZINC000537196363	562587565	/nfs/dbraw/zinc/58/75/65/562587565.db2.gz	KXYDYDKHVGSPLA-UHFFFAOYSA-N	-1	3	356.407	2.158	20	30		FEEDHM
CSc1[n-]c(=O)c(C(=O)N[C@@H]2CN(C)C[C@@H]2c2ccccc2)cc1C#N	ZINC000540901624	562596060	/nfs/dbraw/zinc/59/60/60/562596060.db2.gz	NSQVIEGTBTZYQG-HZPDHXFCSA-N	-1	3	368.462	2.208	20	30		FEEDHM
COc1nsc(C[N-]S(=O)(=O)CCCCC#N)c1Br	ZINC000603401228	568093216	/nfs/dbraw/zinc/09/32/16/568093216.db2.gz	JYQKJUXPOFGLKG-UHFFFAOYSA-N	-1	3	368.278	2.027	20	30		FEEDHM
COC[C@@H]([N-]S(=O)(=O)c1cncc(C#N)c1)c1cccc(Cl)c1	ZINC000568920065	568252383	/nfs/dbraw/zinc/25/23/83/568252383.db2.gz	POWHJQRWRNRGCF-OAHLLOKOSA-N	-1	3	351.815	2.273	20	30		FEEDHM
CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1ccc([S@](C)=O)cc1	ZINC000819772648	607252474	/nfs/dbraw/zinc/25/24/74/607252474.db2.gz	IIJWNARTJRSLNX-VWLOTQADSA-N	-1	3	354.439	2.118	20	30		FEEDHM
CC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1ccc([S@](C)=O)cc1	ZINC000819772648	607252475	/nfs/dbraw/zinc/25/24/75/607252475.db2.gz	IIJWNARTJRSLNX-VWLOTQADSA-N	-1	3	354.439	2.118	20	30		FEEDHM
CC(C)(C)c1cccc(OCCCn2c(N)nc(C#N)c2-c2nnn[n-]2)c1	ZINC000735652811	598900262	/nfs/dbraw/zinc/90/02/62/598900262.db2.gz	SDSQOJOIOJMTPO-UHFFFAOYSA-N	-1	3	366.429	2.284	20	30		FEEDHM
CC(C)(C)c1cccc(OCCCn2c(N)nc(C#N)c2-c2nn[n-]n2)c1	ZINC000735652811	598900263	/nfs/dbraw/zinc/90/02/63/598900263.db2.gz	SDSQOJOIOJMTPO-UHFFFAOYSA-N	-1	3	366.429	2.284	20	30		FEEDHM
COc1ccc(OC)c(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c1	ZINC000737109415	598916743	/nfs/dbraw/zinc/91/67/43/598916743.db2.gz	PYMAFAFYJQRHLI-UHFFFAOYSA-N	-1	3	350.338	2.008	20	30		FEEDHM
COc1ccc(OC)c(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c1	ZINC000737109415	598916745	/nfs/dbraw/zinc/91/67/45/598916745.db2.gz	PYMAFAFYJQRHLI-UHFFFAOYSA-N	-1	3	350.338	2.008	20	30		FEEDHM
N#Cc1cc(NC(=O)c2cncc(Br)c2)ccc1-c1nnn[n-]1	ZINC000737711057	598918850	/nfs/dbraw/zinc/91/88/50/598918850.db2.gz	XZWCMDAOPUKFGA-UHFFFAOYSA-N	-1	3	370.170	2.148	20	30		FEEDHM
N#Cc1cc(NC(=O)c2cncc(Br)c2)ccc1-c1nn[n-]n1	ZINC000737711057	598918851	/nfs/dbraw/zinc/91/88/51/598918851.db2.gz	XZWCMDAOPUKFGA-UHFFFAOYSA-N	-1	3	370.170	2.148	20	30		FEEDHM
N#C[C@@H]1CN(Cc2cccc(-c3nnn[n-]3)c2)CCN1Cc1ccccc1	ZINC000737678950	598919148	/nfs/dbraw/zinc/91/91/48/598919148.db2.gz	MYXWWUGGUZMFPC-LJQANCHMSA-N	-1	3	359.437	2.077	20	30		FEEDHM
N#C[C@@H]1CN(Cc2cccc(-c3nn[n-]n3)c2)CCN1Cc1ccccc1	ZINC000737678950	598919150	/nfs/dbraw/zinc/91/91/50/598919150.db2.gz	MYXWWUGGUZMFPC-LJQANCHMSA-N	-1	3	359.437	2.077	20	30		FEEDHM
Cc1cnn(-c2ccc(C(=O)Nc3ccc(-c4nnn[n-]4)c(C#N)c3)cc2)c1	ZINC000737444565	598925813	/nfs/dbraw/zinc/92/58/13/598925813.db2.gz	NIBIHHLJVDKZAX-UHFFFAOYSA-N	-1	3	370.376	2.485	20	30		FEEDHM
Cc1cnn(-c2ccc(C(=O)Nc3ccc(-c4nn[n-]n4)c(C#N)c3)cc2)c1	ZINC000737444565	598925814	/nfs/dbraw/zinc/92/58/14/598925814.db2.gz	NIBIHHLJVDKZAX-UHFFFAOYSA-N	-1	3	370.376	2.485	20	30		FEEDHM
N#Cc1cc(NC(=O)c2cc(=O)c3ccccc3o2)ccc1-c1nnn[n-]1	ZINC000737709389	598927089	/nfs/dbraw/zinc/92/70/89/598927089.db2.gz	NSOPTTZAXUVROM-UHFFFAOYSA-N	-1	3	358.317	2.097	20	30		FEEDHM
N#Cc1cc(NC(=O)c2cc(=O)c3ccccc3o2)ccc1-c1nn[n-]n1	ZINC000737709389	598927091	/nfs/dbraw/zinc/92/70/91/598927091.db2.gz	NSOPTTZAXUVROM-UHFFFAOYSA-N	-1	3	358.317	2.097	20	30		FEEDHM
C[C@H](CC#N)NC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1	ZINC000735963189	599026456	/nfs/dbraw/zinc/02/64/56/599026456.db2.gz	BNPLTTOUTGLQBF-CYBMUJFWSA-N	-1	3	362.393	2.478	20	30		FEEDHM
C[C@H](CC#N)NC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1	ZINC000735963189	599026458	/nfs/dbraw/zinc/02/64/58/599026458.db2.gz	BNPLTTOUTGLQBF-CYBMUJFWSA-N	-1	3	362.393	2.478	20	30		FEEDHM
CC[C@H](C#N)NC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1	ZINC000736308273	599026470	/nfs/dbraw/zinc/02/64/70/599026470.db2.gz	BOWQYFBOQJBKQO-MRXNPFEDSA-N	-1	3	362.393	2.478	20	30		FEEDHM
CC[C@H](C#N)NC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1	ZINC000736308273	599026471	/nfs/dbraw/zinc/02/64/71/599026471.db2.gz	BOWQYFBOQJBKQO-MRXNPFEDSA-N	-1	3	362.393	2.478	20	30		FEEDHM
N#Cc1cccc(CNC(=O)CSc2ccc(-c3nnn[n-]3)cc2F)c1	ZINC000737722049	599170147	/nfs/dbraw/zinc/17/01/47/599170147.db2.gz	FEHKYZXECDNCQI-UHFFFAOYSA-N	-1	3	368.397	2.286	20	30		FEEDHM
N#Cc1cccc(CNC(=O)CSc2ccc(-c3nn[n-]n3)cc2F)c1	ZINC000737722049	599170149	/nfs/dbraw/zinc/17/01/49/599170149.db2.gz	FEHKYZXECDNCQI-UHFFFAOYSA-N	-1	3	368.397	2.286	20	30		FEEDHM
C[C@](C#N)(NC(=O)c1cncc([N-]S(C)(=O)=O)c1)C1CCCCC1	ZINC000556763168	674418209	/nfs/dbraw/zinc/41/82/09/674418209.db2.gz	FBSGQALDHZYDQX-MRXNPFEDSA-N	-1	3	350.444	2.045	20	30		FEEDHM
N#CCn1c(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc2ccccc21	ZINC000737697487	599194626	/nfs/dbraw/zinc/19/46/26/599194626.db2.gz	HRPHSGMPXRFHAU-UHFFFAOYSA-N	-1	3	368.360	2.469	20	30		FEEDHM
N#CCn1c(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc2ccccc21	ZINC000737697487	599194629	/nfs/dbraw/zinc/19/46/29/599194629.db2.gz	HRPHSGMPXRFHAU-UHFFFAOYSA-N	-1	3	368.360	2.469	20	30		FEEDHM
C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@]1(C#N)CCC[C@@H](C)C1	ZINC000736244236	599201421	/nfs/dbraw/zinc/20/14/21/599201421.db2.gz	GABPSEMXOJVHMS-SNUQEOBHSA-N	-1	3	354.414	2.223	20	30		FEEDHM
C=CC[C@H](C)NC(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1	ZINC000735409827	599213584	/nfs/dbraw/zinc/21/35/84/599213584.db2.gz	MCCIPUWJYGEIEV-ZDUSSCGKSA-N	-1	3	356.430	2.384	20	30		FEEDHM
C=CC[C@H](C)NC(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1	ZINC000735409827	599213586	/nfs/dbraw/zinc/21/35/86/599213586.db2.gz	MCCIPUWJYGEIEV-ZDUSSCGKSA-N	-1	3	356.430	2.384	20	30		FEEDHM
C#Cc1cccc(NC(=S)NCc2cc(-c3nnn[n-]3)ccc2F)c1	ZINC000819709631	599227439	/nfs/dbraw/zinc/22/74/39/599227439.db2.gz	NCPDIWIEUHMGPI-UHFFFAOYSA-N	-1	3	352.398	2.474	20	30		FEEDHM
C#Cc1cccc(NC(=S)NCc2cc(-c3nn[n-]n3)ccc2F)c1	ZINC000819709631	599227441	/nfs/dbraw/zinc/22/74/41/599227441.db2.gz	NCPDIWIEUHMGPI-UHFFFAOYSA-N	-1	3	352.398	2.474	20	30		FEEDHM
N#Cc1ccc(OCCNC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1	ZINC000822833808	599281811	/nfs/dbraw/zinc/28/18/11/599281811.db2.gz	VWJBZJRSIAMBJQ-UHFFFAOYSA-N	-1	3	367.344	2.078	20	30		FEEDHM
N#Cc1ccc(OCCNC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1	ZINC000822833808	599281813	/nfs/dbraw/zinc/28/18/13/599281813.db2.gz	VWJBZJRSIAMBJQ-UHFFFAOYSA-N	-1	3	367.344	2.078	20	30		FEEDHM
CN(C)c1ccc(NC(=S)NN=Cc2ccc(-c3nnn[n-]3)cc2)cc1	ZINC000736781395	598277185	/nfs/dbraw/zinc/27/71/85/598277185.db2.gz	ZHQNUORQNZSRHV-UHFFFAOYSA-N	-1	3	366.454	2.253	20	30		FEEDHM
CN(C)c1ccc(NC(=S)NN=Cc2ccc(-c3nn[n-]n3)cc2)cc1	ZINC000736781395	598277186	/nfs/dbraw/zinc/27/71/86/598277186.db2.gz	ZHQNUORQNZSRHV-UHFFFAOYSA-N	-1	3	366.454	2.253	20	30		FEEDHM
C#CCNC(=O)[C@@H](C)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1	ZINC000735381040	598284183	/nfs/dbraw/zinc/28/41/83/598284183.db2.gz	KNTWKGQXYRSIJK-CYBMUJFWSA-N	-1	3	362.393	2.209	20	30		FEEDHM
C#CCNC(=O)[C@@H](C)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1	ZINC000735381040	598284184	/nfs/dbraw/zinc/28/41/84/598284184.db2.gz	KNTWKGQXYRSIJK-CYBMUJFWSA-N	-1	3	362.393	2.209	20	30		FEEDHM
N#Cc1cc(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)ccc1F	ZINC000737707817	598324807	/nfs/dbraw/zinc/32/48/07/598324807.db2.gz	BRLBIPQPZAJJLN-UHFFFAOYSA-N	-1	3	355.308	2.338	20	30		FEEDHM
N#Cc1cc(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)ccc1F	ZINC000737707817	598324808	/nfs/dbraw/zinc/32/48/08/598324808.db2.gz	BRLBIPQPZAJJLN-UHFFFAOYSA-N	-1	3	355.308	2.338	20	30		FEEDHM
O=C(CNc1ccc(-c2nn[n-]n2)cc1)OCC#Cc1ccc(F)cc1	ZINC000823009612	607353245	/nfs/dbraw/zinc/35/32/45/607353245.db2.gz	OZDCLURFSWBFTN-UHFFFAOYSA-N	-1	3	351.341	2.013	20	30		FEEDHM
CC(C)(C)n1cc(C#N)cc1NC(=O)COc1ccccc1-c1nnn[n-]1	ZINC000735662735	598488316	/nfs/dbraw/zinc/48/83/16/598488316.db2.gz	WMFHIYGXJQZDTJ-UHFFFAOYSA-N	-1	3	365.397	2.312	20	30		FEEDHM
CC(C)(C)n1cc(C#N)cc1NC(=O)COc1ccccc1-c1nn[n-]n1	ZINC000735662735	598488318	/nfs/dbraw/zinc/48/83/18/598488318.db2.gz	WMFHIYGXJQZDTJ-UHFFFAOYSA-N	-1	3	365.397	2.312	20	30		FEEDHM
O=C(NCC#Cc1ccccc1)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1	ZINC000738040119	598580017	/nfs/dbraw/zinc/58/00/17/598580017.db2.gz	SUVLNTIPEXFNSR-LJQANCHMSA-N	-1	3	372.432	2.003	20	30		FEEDHM
N#CCOc1ccc(CC(=O)OCc2ccc(F)cc2-c2nnn[n-]2)cc1	ZINC000737696687	598725105	/nfs/dbraw/zinc/72/51/05/598725105.db2.gz	UTQZQQNCMUOOOG-UHFFFAOYSA-N	-1	3	367.340	2.194	20	30		FEEDHM
N#CCOc1ccc(CC(=O)OCc2ccc(F)cc2-c2nn[n-]n2)cc1	ZINC000737696687	598725107	/nfs/dbraw/zinc/72/51/07/598725107.db2.gz	UTQZQQNCMUOOOG-UHFFFAOYSA-N	-1	3	367.340	2.194	20	30		FEEDHM
N#CCC[C@H](C#N)CN1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1	ZINC000737684979	598789309	/nfs/dbraw/zinc/78/93/09/598789309.db2.gz	RNRNWXIMLIKKND-CQSZACIVSA-N	-1	3	351.414	2.153	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccn(C(C)C)n1	ZINC000735420893	598803004	/nfs/dbraw/zinc/80/30/04/598803004.db2.gz	VIMKDUXKQNNJLS-UHFFFAOYSA-N	-1	3	351.414	2.473	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccn(C(C)C)n1	ZINC000735420893	598803006	/nfs/dbraw/zinc/80/30/06/598803006.db2.gz	VIMKDUXKQNNJLS-UHFFFAOYSA-N	-1	3	351.414	2.473	20	30		FEEDHM
CCn1nc(C)c(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)c1C	ZINC000736728711	599463071	/nfs/dbraw/zinc/46/30/71/599463071.db2.gz	PBFNOUYPFSMLCV-SREVYHEPSA-N	-1	3	362.397	2.244	20	30		FEEDHM
CCn1nc(C)c(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)c1C	ZINC000736728711	599463073	/nfs/dbraw/zinc/46/30/73/599463073.db2.gz	PBFNOUYPFSMLCV-SREVYHEPSA-N	-1	3	362.397	2.244	20	30		FEEDHM
N#CCN(Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)C1CCCC1	ZINC000822810341	599577264	/nfs/dbraw/zinc/57/72/64/599577264.db2.gz	FUOXLUJZXSBIEP-UHFFFAOYSA-N	-1	3	350.386	2.185	20	30		FEEDHM
N#CCN(Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)C1CCCC1	ZINC000822810341	599577267	/nfs/dbraw/zinc/57/72/67/599577267.db2.gz	FUOXLUJZXSBIEP-UHFFFAOYSA-N	-1	3	350.386	2.185	20	30		FEEDHM
C[C@H](OC(=O)C1(C#N)CCC1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1	ZINC000820486895	599661944	/nfs/dbraw/zinc/66/19/44/599661944.db2.gz	DIMLKHQYEULTFA-VIFPVBQESA-N	-1	3	374.788	2.084	20	30		FEEDHM
C[C@H](OC(=O)C1(C#N)CCC1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1	ZINC000820486895	599661945	/nfs/dbraw/zinc/66/19/45/599661945.db2.gz	DIMLKHQYEULTFA-VIFPVBQESA-N	-1	3	374.788	2.084	20	30		FEEDHM
N#C[C@@H](c1ccccc1)N1CCN(Cc2ccc(-c3nnn[n-]3)s2)CC1	ZINC000822801172	607388282	/nfs/dbraw/zinc/38/82/82/607388282.db2.gz	FYGFYNZMYXOECM-INIZCTEOSA-N	-1	3	365.466	2.311	20	30		FEEDHM
N#C[C@@H](c1ccccc1)N1CCN(Cc2ccc(-c3nn[n-]n3)s2)CC1	ZINC000822801172	607388284	/nfs/dbraw/zinc/38/82/84/607388284.db2.gz	FYGFYNZMYXOECM-INIZCTEOSA-N	-1	3	365.466	2.311	20	30		FEEDHM
C=CCCO[C@H](C)C(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1	ZINC000825676238	601733626	/nfs/dbraw/zinc/73/36/26/601733626.db2.gz	ZSFXOFLLQFUHCN-OXQOHEQNSA-N	-1	3	360.454	2.203	20	30		FEEDHM
N#Cc1ccc(N2CC[C@@H](NCC3(NC(=O)[O-])CCCCC3)C2=O)cc1	ZINC000740317043	603243616	/nfs/dbraw/zinc/24/36/16/603243616.db2.gz	OURREOZUSPPTEV-MRXNPFEDSA-N	-1	3	356.426	2.224	20	30		FEEDHM
COc1ccc(CNC(=O)Nc2cccc(C#N)c2C)cc1-c1nnn[n-]1	ZINC000826200425	607620528	/nfs/dbraw/zinc/62/05/28/607620528.db2.gz	PEMYCSMHBHSINW-UHFFFAOYSA-N	-1	3	363.381	2.377	20	30		FEEDHM
COc1ccc(CNC(=O)Nc2cccc(C#N)c2C)cc1-c1nn[n-]n1	ZINC000826200425	607620529	/nfs/dbraw/zinc/62/05/29/607620529.db2.gz	PEMYCSMHBHSINW-UHFFFAOYSA-N	-1	3	363.381	2.377	20	30		FEEDHM
C=CCN1CCC(NC(=O)[C@@H](NC(=O)[O-])c2cccc(Cl)c2)CC1	ZINC000738491591	603304774	/nfs/dbraw/zinc/30/47/74/603304774.db2.gz	KVRMHCRORDTKKC-HNNXBMFYSA-N	-1	3	351.834	2.415	20	30		FEEDHM
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(CNC(=O)[O-])o1	ZINC000828029812	603352474	/nfs/dbraw/zinc/35/24/74/603352474.db2.gz	BCJONXJMEXDOAR-UHFFFAOYSA-N	-1	3	370.409	2.123	20	30		FEEDHM
CN(Cc1ccc(C#N)cc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[O-]	ZINC000828350349	603398635	/nfs/dbraw/zinc/39/86/35/603398635.db2.gz	DMUTUYKQYPMDGC-OALUTQOASA-N	-1	3	353.422	2.230	20	30		FEEDHM
C[C@H]1CCCN(CCC(=O)Nc2sccc2C#N)[C@H]1CNC(=O)[O-]	ZINC000825925184	603715008	/nfs/dbraw/zinc/71/50/08/603715008.db2.gz	NLROTYITWUZUTA-AAEUAGOBSA-N	-1	3	350.444	2.316	20	30		FEEDHM
Cc1cc(-c2nnn[n-]2)cc(C)c1OS(=O)(=O)c1ccc(F)cc1C#N	ZINC000826242968	607648918	/nfs/dbraw/zinc/64/89/18/607648918.db2.gz	NZYYEYZSRPNLRG-UHFFFAOYSA-N	-1	3	373.369	2.262	20	30		FEEDHM
Cc1cc(-c2nn[n-]n2)cc(C)c1OS(=O)(=O)c1ccc(F)cc1C#N	ZINC000826242968	607648919	/nfs/dbraw/zinc/64/89/19/607648919.db2.gz	NZYYEYZSRPNLRG-UHFFFAOYSA-N	-1	3	373.369	2.262	20	30		FEEDHM
Cc1cccc(S(=O)(=O)Oc2c(C)cc(-c3nnn[n-]3)cc2C)c1C#N	ZINC000826304117	607649731	/nfs/dbraw/zinc/64/97/31/607649731.db2.gz	WYRRMANXCVIAJF-UHFFFAOYSA-N	-1	3	369.406	2.431	20	30		FEEDHM
Cc1cccc(S(=O)(=O)Oc2c(C)cc(-c3nn[n-]n3)cc2C)c1C#N	ZINC000826304117	607649733	/nfs/dbraw/zinc/64/97/33/607649733.db2.gz	WYRRMANXCVIAJF-UHFFFAOYSA-N	-1	3	369.406	2.431	20	30		FEEDHM
O=[N+]([O-])c1ccc2[nH]cc(C=NNCc3ccc(-c4nnn[n-]4)cc3)c2c1	ZINC000826499245	607655935	/nfs/dbraw/zinc/65/59/35/607655935.db2.gz	AXCPXNDZTIFAGH-UHFFFAOYSA-N	-1	3	362.353	2.380	20	30		FEEDHM
O=[N+]([O-])c1ccc2[nH]cc(C=NNCc3ccc(-c4nn[n-]n4)cc3)c2c1	ZINC000826499245	607655936	/nfs/dbraw/zinc/65/59/36/607655936.db2.gz	AXCPXNDZTIFAGH-UHFFFAOYSA-N	-1	3	362.353	2.380	20	30		FEEDHM
N#CC(C(=O)C[C@@H](Cc1ccccc1)NC(=O)[O-])C(=O)NC1CCCC1	ZINC000831066836	604225717	/nfs/dbraw/zinc/22/57/17/604225717.db2.gz	ZVOQDWGPIFDBLT-HZPDHXFCSA-N	-1	3	357.410	2.023	20	30		FEEDHM
C[C@H](C(=O)[O-])N1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1	ZINC000819895345	604617142	/nfs/dbraw/zinc/61/71/42/604617142.db2.gz	FVEMRQWEDHNOBP-RISCZKNCSA-N	-1	3	352.232	2.104	20	30		FEEDHM
C=CCOCCCC(=O)Nc1ccc(NC(=O)OCC)c(-c2nnn[n-]2)c1	ZINC000823925215	607761648	/nfs/dbraw/zinc/76/16/48/607761648.db2.gz	GAFWAYUNBLGEJD-UHFFFAOYSA-N	-1	3	374.401	2.356	20	30		FEEDHM
C=CCOCCCC(=O)Nc1ccc(NC(=O)OCC)c(-c2nn[n-]n2)c1	ZINC000823925215	607761649	/nfs/dbraw/zinc/76/16/49/607761649.db2.gz	GAFWAYUNBLGEJD-UHFFFAOYSA-N	-1	3	374.401	2.356	20	30		FEEDHM
Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1cccc(C#Cc2ccccn2)c1	ZINC000822649856	606219071	/nfs/dbraw/zinc/21/90/71/606219071.db2.gz	LHBHLVGGYDKLKV-UHFFFAOYSA-N	-1	3	369.388	2.252	20	30		FEEDHM
Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1cccc(C#Cc2ccccn2)c1	ZINC000822649856	606219072	/nfs/dbraw/zinc/21/90/72/606219072.db2.gz	LHBHLVGGYDKLKV-UHFFFAOYSA-N	-1	3	369.388	2.252	20	30		FEEDHM
CCOc1ccc(N(CCC#N)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1	ZINC000821421646	606320096	/nfs/dbraw/zinc/32/00/96/606320096.db2.gz	BGZHIVYZODEWLF-UHFFFAOYSA-N	-1	3	351.370	2.154	20	30		FEEDHM
CCOc1ccc(N(CCC#N)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1	ZINC000821421646	606320097	/nfs/dbraw/zinc/32/00/97/606320097.db2.gz	BGZHIVYZODEWLF-UHFFFAOYSA-N	-1	3	351.370	2.154	20	30		FEEDHM
C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H](C#N)C1CCCCC1	ZINC000820529106	606362297	/nfs/dbraw/zinc/36/22/97/606362297.db2.gz	PDGQEHRSHWORBZ-BLLLJJGKSA-N	-1	3	354.414	2.223	20	30		FEEDHM
O=C1C(=Cc2ccc(-c3nnn[n-]3)s2)COc2cc3c(cc21)OCO3	ZINC000823503014	606391463	/nfs/dbraw/zinc/39/14/63/606391463.db2.gz	AGBYLHAEMDMTQO-FPYGCLRLSA-N	-1	3	354.347	2.316	20	30		FEEDHM
N#Cc1cc(COC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)ccn1	ZINC000822819465	606517457	/nfs/dbraw/zinc/51/74/57/606517457.db2.gz	SQGXPWOCVQUZHP-UHFFFAOYSA-N	-1	3	366.406	2.110	20	30		FEEDHM
N#Cc1cc(COC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)ccn1	ZINC000822819465	606517459	/nfs/dbraw/zinc/51/74/59/606517459.db2.gz	SQGXPWOCVQUZHP-UHFFFAOYSA-N	-1	3	366.406	2.110	20	30		FEEDHM
CN(CCC#N)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1	ZINC000821598256	606642114	/nfs/dbraw/zinc/64/21/14/606642114.db2.gz	WGWHAYHXEBJDAN-UHFFFAOYSA-N	-1	3	364.369	2.431	20	30		FEEDHM
CN(CCC#N)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1	ZINC000821598256	606642115	/nfs/dbraw/zinc/64/21/15/606642115.db2.gz	WGWHAYHXEBJDAN-UHFFFAOYSA-N	-1	3	364.369	2.431	20	30		FEEDHM
N#CCOc1cc(F)ccc1NC(=O)NCc1cccc(-c2nnn[n-]2)c1	ZINC000822810932	606772978	/nfs/dbraw/zinc/77/29/78/606772978.db2.gz	OUMJUMCZTXPRHC-UHFFFAOYSA-N	-1	3	367.344	2.230	20	30		FEEDHM
N#CCOc1cc(F)ccc1NC(=O)NCc1cccc(-c2nn[n-]n2)c1	ZINC000822810932	606772979	/nfs/dbraw/zinc/77/29/79/606772979.db2.gz	OUMJUMCZTXPRHC-UHFFFAOYSA-N	-1	3	367.344	2.230	20	30		FEEDHM
N#Cc1cc(NC(=O)c2ccncc2Br)ccc1-c1nnn[n-]1	ZINC000822823593	606957791	/nfs/dbraw/zinc/95/77/91/606957791.db2.gz	TVYPRBBUKBVLIM-UHFFFAOYSA-N	-1	3	370.170	2.148	20	30		FEEDHM
N#Cc1cc(NC(=O)c2ccncc2Br)ccc1-c1nn[n-]n1	ZINC000822823593	606957793	/nfs/dbraw/zinc/95/77/93/606957793.db2.gz	TVYPRBBUKBVLIM-UHFFFAOYSA-N	-1	3	370.170	2.148	20	30		FEEDHM
C#CCOc1ccc(C(=O)OCc2cc(F)ccc2-c2nnn[n-]2)cc1	ZINC000819709582	607083077	/nfs/dbraw/zinc/08/30/77/607083077.db2.gz	KLBSIWYXIUZNEH-UHFFFAOYSA-N	-1	3	352.325	2.375	20	30		FEEDHM
C#CCOc1ccc(C(=O)OCc2cc(F)ccc2-c2nn[n-]n2)cc1	ZINC000819709582	607083078	/nfs/dbraw/zinc/08/30/78/607083078.db2.gz	KLBSIWYXIUZNEH-UHFFFAOYSA-N	-1	3	352.325	2.375	20	30		FEEDHM
CC1(C)c2cc(C(=O)Nc3ccc(C#N)c(-c4nnn[n-]4)c3)ccc2NC1=O	ZINC000820585776	607238012	/nfs/dbraw/zinc/23/80/12/607238012.db2.gz	PQSXOEXKGAXSDA-UHFFFAOYSA-N	-1	3	373.376	2.220	20	30		FEEDHM
CC1(C)c2cc(C(=O)Nc3ccc(C#N)c(-c4nn[n-]n4)c3)ccc2NC1=O	ZINC000820585776	607238013	/nfs/dbraw/zinc/23/80/13/607238013.db2.gz	PQSXOEXKGAXSDA-UHFFFAOYSA-N	-1	3	373.376	2.220	20	30		FEEDHM
Cc1onc(-c2ccccn2)c1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1	ZINC000822554382	607238587	/nfs/dbraw/zinc/23/85/87/607238587.db2.gz	ZQNGXBUMISSFMD-UHFFFAOYSA-N	-1	3	372.348	2.349	20	30		FEEDHM
Cc1onc(-c2ccccn2)c1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1	ZINC000822554382	607238588	/nfs/dbraw/zinc/23/85/88/607238588.db2.gz	ZQNGXBUMISSFMD-UHFFFAOYSA-N	-1	3	372.348	2.349	20	30		FEEDHM
N#Cc1ccccc1SCCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1	ZINC000826387485	607817061	/nfs/dbraw/zinc/81/70/61/607817061.db2.gz	XKVDWJBZURRYGN-UHFFFAOYSA-N	-1	3	371.447	2.304	20	30		FEEDHM
N#Cc1ccccc1SCCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1	ZINC000826387485	607817062	/nfs/dbraw/zinc/81/70/62/607817062.db2.gz	XKVDWJBZURRYGN-UHFFFAOYSA-N	-1	3	371.447	2.304	20	30		FEEDHM
Cc1cc(C#N)cc(C)c1OC[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1	ZINC000826256308	607874241	/nfs/dbraw/zinc/87/42/41/607874241.db2.gz	CQBVNUJRZDXBGK-INIZCTEOSA-N	-1	3	365.393	2.174	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H](C)C1CCOCC1	ZINC000823909474	607888506	/nfs/dbraw/zinc/88/85/06/607888506.db2.gz	FPJPTIPTCYDOAS-AWEZNQCLSA-N	-1	3	355.442	2.444	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H](C)C1CCOCC1	ZINC000823909474	607888507	/nfs/dbraw/zinc/88/85/07/607888507.db2.gz	FPJPTIPTCYDOAS-AWEZNQCLSA-N	-1	3	355.442	2.444	20	30		FEEDHM
C=C(C)[C@H](CC(=O)O[C@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1)OCC	ZINC000823872475	607920284	/nfs/dbraw/zinc/92/02/84/607920284.db2.gz	ACCXPGHOAZCCKS-DOMZBBRYSA-N	-1	3	373.413	2.108	20	30		FEEDHM
C=C(C)[C@H](CC(=O)O[C@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1)OCC	ZINC000823872475	607920285	/nfs/dbraw/zinc/92/02/85/607920285.db2.gz	ACCXPGHOAZCCKS-DOMZBBRYSA-N	-1	3	373.413	2.108	20	30		FEEDHM
C=C[C@@H](CC(=O)NCCNc1ncccc1-c1nnn[n-]1)c1ccccc1	ZINC000823883337	607978430	/nfs/dbraw/zinc/97/84/30/607978430.db2.gz	OVIJJILSYDLPLE-AWEZNQCLSA-N	-1	3	363.425	2.150	20	30		FEEDHM
C=C[C@@H](CC(=O)NCCNc1ncccc1-c1nn[n-]n1)c1ccccc1	ZINC000823883337	607978431	/nfs/dbraw/zinc/97/84/31/607978431.db2.gz	OVIJJILSYDLPLE-AWEZNQCLSA-N	-1	3	363.425	2.150	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2cccc(OCC(F)F)n2)cc1-c1nnn[n-]1	ZINC000826385693	608028198	/nfs/dbraw/zinc/02/81/98/608028198.db2.gz	XDBMOCJGBZXPNS-UHFFFAOYSA-N	-1	3	371.307	2.030	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2cccc(OCC(F)F)n2)cc1-c1nn[n-]n1	ZINC000826385693	608028199	/nfs/dbraw/zinc/02/81/99/608028199.db2.gz	XDBMOCJGBZXPNS-UHFFFAOYSA-N	-1	3	371.307	2.030	20	30		FEEDHM
Cc1cc(C)c(C#N)c(N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)n1	ZINC000826263251	608052311	/nfs/dbraw/zinc/05/23/11/608052311.db2.gz	RIDRPDGCGYHHSK-KRWDZBQOSA-N	-1	3	361.409	2.328	20	30		FEEDHM
Cc1cc(C)c(C#N)c(N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)n1	ZINC000826263251	608052312	/nfs/dbraw/zinc/05/23/12/608052312.db2.gz	RIDRPDGCGYHHSK-KRWDZBQOSA-N	-1	3	361.409	2.328	20	30		FEEDHM
N#Cc1cccc([C@H]2CN(C(=O)c3cc(-c4nnn[n-]4)cs3)CCO2)c1	ZINC000826386732	608080312	/nfs/dbraw/zinc/08/03/12/608080312.db2.gz	QSVVFIVUJRJANK-CQSZACIVSA-N	-1	3	366.406	2.014	20	30		FEEDHM
N#Cc1cccc([C@H]2CN(C(=O)c3cc(-c4nn[n-]n4)cs3)CCO2)c1	ZINC000826386732	608080313	/nfs/dbraw/zinc/08/03/13/608080313.db2.gz	QSVVFIVUJRJANK-CQSZACIVSA-N	-1	3	366.406	2.014	20	30		FEEDHM
N#CCc1cccc(C(=O)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)c1	ZINC000826382610	608084896	/nfs/dbraw/zinc/08/48/96/608084896.db2.gz	MUULTYUFELJFSP-GOSISDBHSA-N	-1	3	374.404	2.146	20	30		FEEDHM
N#CCc1cccc(C(=O)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)c1	ZINC000826382610	608084897	/nfs/dbraw/zinc/08/48/97/608084897.db2.gz	MUULTYUFELJFSP-GOSISDBHSA-N	-1	3	374.404	2.146	20	30		FEEDHM
C[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCC[C@@](C)(C#N)C1	ZINC000824046823	608125602	/nfs/dbraw/zinc/12/56/02/608125602.db2.gz	VSQPZMFXRYZFJK-GTNSWQLSSA-N	-1	3	373.848	2.473	20	30		FEEDHM
C[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCC[C@@](C)(C#N)C1	ZINC000824046823	608125603	/nfs/dbraw/zinc/12/56/03/608125603.db2.gz	VSQPZMFXRYZFJK-GTNSWQLSSA-N	-1	3	373.848	2.473	20	30		FEEDHM
CCCC(C#N)(CCC)NS(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C	ZINC000825225034	608158178	/nfs/dbraw/zinc/15/81/78/608158178.db2.gz	KBINPLKDNNPSFD-UHFFFAOYSA-N	-1	3	362.459	2.316	20	30		FEEDHM
CCCC(C#N)(CCC)NS(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C	ZINC000825225034	608158180	/nfs/dbraw/zinc/15/81/80/608158180.db2.gz	KBINPLKDNNPSFD-UHFFFAOYSA-N	-1	3	362.459	2.316	20	30		FEEDHM
Cc1cc(C(=O)NC2=NO[C@H](C)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1	ZINC000826258859	608209763	/nfs/dbraw/zinc/20/97/63/608209763.db2.gz	ZDTXSDOVXQWKGU-LLVKDONJSA-N	-1	3	365.397	2.126	20	30		FEEDHM
CCN(C(=O)c1ccc(C#N)cn1)c1ccc(-c2nnn[n-]2)c(Cl)c1	ZINC000825379111	608345509	/nfs/dbraw/zinc/34/55/09/608345509.db2.gz	ATIBDPKDJKCEAE-UHFFFAOYSA-N	-1	3	353.773	2.453	20	30		FEEDHM
CCN(C(=O)c1ccc(C#N)cn1)c1ccc(-c2nn[n-]n2)c(Cl)c1	ZINC000825379111	608345511	/nfs/dbraw/zinc/34/55/11/608345511.db2.gz	ATIBDPKDJKCEAE-UHFFFAOYSA-N	-1	3	353.773	2.453	20	30		FEEDHM
C=CCOc1cccnc1C(=O)Oc1ccc(-c2nnn[n-]2)cc1OC	ZINC000823932024	608538904	/nfs/dbraw/zinc/53/89/04/608538904.db2.gz	KPGNCTXIUANVAW-UHFFFAOYSA-N	-1	3	353.338	2.054	20	30		FEEDHM
C=CCOc1cccnc1C(=O)Oc1ccc(-c2nn[n-]n2)cc1OC	ZINC000823932024	608538905	/nfs/dbraw/zinc/53/89/05/608538905.db2.gz	KPGNCTXIUANVAW-UHFFFAOYSA-N	-1	3	353.338	2.054	20	30		FEEDHM
Cc1ccc(C)c2c1NC(=O)C2=NNc1cc(-c2nnn[n-]2)cc(Cl)n1	ZINC000826285226	608538987	/nfs/dbraw/zinc/53/89/87/608538987.db2.gz	SLYADVUXZOEWQI-UHFFFAOYSA-N	-1	3	368.788	2.300	20	30		FEEDHM
Cc1ccc(C)c2c1NC(=O)C2=NNc1cc(-c2nn[n-]n2)cc(Cl)n1	ZINC000826285226	608538988	/nfs/dbraw/zinc/53/89/88/608538988.db2.gz	SLYADVUXZOEWQI-UHFFFAOYSA-N	-1	3	368.788	2.300	20	30		FEEDHM
CS(=O)(=O)c1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1	ZINC000826224143	609274063	/nfs/dbraw/zinc/27/40/63/609274063.db2.gz	QNMKBTBWORNITP-RUDMXATFSA-N	-1	3	372.381	2.305	20	30		FEEDHM
CS(=O)(=O)c1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1	ZINC000826224143	609274065	/nfs/dbraw/zinc/27/40/65/609274065.db2.gz	QNMKBTBWORNITP-RUDMXATFSA-N	-1	3	372.381	2.305	20	30		FEEDHM
Cc1nnc(SCc2ccc(OCC#N)cc2)c(-c2nnn[n-]2)c1C	ZINC000826337283	609306574	/nfs/dbraw/zinc/30/65/74/609306574.db2.gz	JABBKWUMCMCSPS-UHFFFAOYSA-N	-1	3	353.411	2.468	20	30		FEEDHM
Cc1nnc(SCc2ccc(OCC#N)cc2)c(-c2nn[n-]n2)c1C	ZINC000826337283	609306576	/nfs/dbraw/zinc/30/65/76/609306576.db2.gz	JABBKWUMCMCSPS-UHFFFAOYSA-N	-1	3	353.411	2.468	20	30		FEEDHM
CN(CCO)c1ccc(C=[NH+][N-]c2ccc(-c3nn[n-]n3)c(Cl)c2)cc1	ZINC000825941625	609473445	/nfs/dbraw/zinc/47/34/45/609473445.db2.gz	MJFLIWCZAGFKBB-UHFFFAOYSA-N	-1	3	371.832	2.395	20	30		FEEDHM
CC(=N[N-]S(=O)(=O)Cc1ccccc1)[C@@H](C)NC(=O)OC(C)(C)C	ZINC000811639963	674618122	/nfs/dbraw/zinc/61/81/22/674618122.db2.gz	KSQLFHGLLVOHNF-GFCCVEGCSA-N	-1	3	355.460	2.395	20	30		FEEDHM
C#C[C@H](NC(=O)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F)C(C)(C)C	ZINC000813778153	674779858	/nfs/dbraw/zinc/77/98/58/674779858.db2.gz	QLNJVWYQWSDUMS-ZDUSSCGKSA-N	-1	3	370.421	2.183	20	30		FEEDHM
N#Cc1cccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)c1	ZINC000024554903	670056098	/nfs/dbraw/zinc/05/60/98/670056098.db2.gz	ZKUNAVSUWPWHGZ-UHFFFAOYSA-N	-1	3	359.382	2.390	20	30		FEEDHM
Cc1cc(SCC(=O)N[C@@H]2CCN([O-])C2=O)c(C)cc1Br	ZINC000816689920	675073427	/nfs/dbraw/zinc/07/34/27/675073427.db2.gz	BJPSARXWVCCWSA-LLVKDONJSA-N	-1	3	373.272	2.264	20	30		FEEDHM
CC(C)Oc1cc(Br)ccc1C(=O)N[C@H]1CCCN([O-])C1=O	ZINC000816753831	675077667	/nfs/dbraw/zinc/07/76/67/675077667.db2.gz	QEBAQIMJFLFHRA-LBPRGKRZSA-N	-1	3	371.231	2.346	20	30		FEEDHM
O=C(CCc1cc(F)ccc1Br)N[C@@H]1CCCN([O-])C1=O	ZINC000816756182	675077943	/nfs/dbraw/zinc/07/79/43/675077943.db2.gz	RWPNYLXGWUXSPX-GFCCVEGCSA-N	-1	3	359.195	2.017	20	30		FEEDHM
C[C@H](Cc1ccc(Br)cc1)C(=O)N[C@@H]1CCCN([O-])C1=O	ZINC000816759298	675078275	/nfs/dbraw/zinc/07/82/75/675078275.db2.gz	JVGOPVIQVKGGNI-ZWNOBZJWSA-N	-1	3	355.232	2.124	20	30		FEEDHM
CC(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C#N)C(C)(C)C)ccc1F	ZINC000085431101	670680518	/nfs/dbraw/zinc/68/05/18/670680518.db2.gz	QKGIIAMMUFMYAI-CQSZACIVSA-N	-1	3	355.435	2.180	20	30		FEEDHM
C=CC1CCN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)CC1	ZINC000110364568	670849225	/nfs/dbraw/zinc/84/92/25/670849225.db2.gz	ZIABLZZDZUNCBV-UHFFFAOYSA-N	-1	3	352.431	2.305	20	30		FEEDHM
Cn1cc(C(=O)[N-]c2nnc(SCc3ccc(C#N)cc3)s2)nn1	ZINC000577415106	671594523	/nfs/dbraw/zinc/59/45/23/671594523.db2.gz	RJEYLNQLQYXIKP-UHFFFAOYSA-N	-1	3	357.424	2.083	20	30		FEEDHM
CC[C@@H](C)C[C@H]([N-]S(=O)(=O)Cc1ccc(CC#N)cc1)C(=O)OC	ZINC000578502054	671669810	/nfs/dbraw/zinc/66/98/10/671669810.db2.gz	FTXTXJCHNXTBKW-CJNGLKHVSA-N	-1	3	352.456	2.150	20	30		FEEDHM
N#CCC1(CS(=O)(=O)[N-][C@@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1	ZINC000581172588	671869815	/nfs/dbraw/zinc/86/98/15/671869815.db2.gz	CEGCFNQHLKVPBC-CQSZACIVSA-N	-1	3	367.858	2.059	20	30		FEEDHM
C[N-]S(=O)(=O)c1cc(C(=O)OC[C@H](C#N)Cc2ccccc2)c(C)o1	ZINC000122196808	671963357	/nfs/dbraw/zinc/96/33/57/671963357.db2.gz	FFMNUGYYWUFSOE-AWEZNQCLSA-N	-1	3	362.407	2.035	20	30		FEEDHM
C=CCN(CC1CCCCC1)C(=O)C[N-]S(=O)(=O)c1c(C)noc1C	ZINC000584440802	672188043	/nfs/dbraw/zinc/18/80/43/672188043.db2.gz	JMACENOXQMWHTR-UHFFFAOYSA-N	-1	3	369.487	2.165	20	30		FEEDHM
COc1cc(C#N)cc(Cl)c1OC(=O)CCc1c(C)nc(C)[n-]c1=O	ZINC000183634693	672474442	/nfs/dbraw/zinc/47/44/42/672474442.db2.gz	BJLNDYNMFKEZOE-UHFFFAOYSA-N	-1	3	361.785	2.459	20	30		FEEDHM
N#Cc1nc(NCCCN=c2[n-]c(C#N)c(Cl)s2)sc1Cl	ZINC000590570620	672590907	/nfs/dbraw/zinc/59/09/07/672590907.db2.gz	ZADRQBYDPKFPEQ-UHFFFAOYSA-N	-1	3	359.267	2.408	20	30		FEEDHM
CCOC(=O)c1ccc(C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)o1	ZINC000611539767	676043332	/nfs/dbraw/zinc/04/33/32/676043332.db2.gz	ZZDGJJKHXPWJGY-UHFFFAOYSA-N	-1	3	368.798	2.460	20	30		FEEDHM
Cc1cc(=O)[n-]c(-c2ccc(NS(=O)(=O)CCC(C)(C)C#N)cc2)n1	ZINC000593193741	672889598	/nfs/dbraw/zinc/88/95/98/672889598.db2.gz	DAAYQBZVJGLJKM-UHFFFAOYSA-N	-1	3	360.439	2.427	20	30		FEEDHM
CN(C)C(=O)C[C@H]([N-]S(=O)(=O)c1ccsc1C#N)c1ccccc1	ZINC000593538959	672937489	/nfs/dbraw/zinc/93/74/89/672937489.db2.gz	WECIMZQNLSPXJC-ZDUSSCGKSA-N	-1	3	363.464	2.118	20	30		FEEDHM
COC(=O)c1cc(C#N)ccc1S(=O)(=O)[N-]C(C)(C)CC(F)(F)F	ZINC000593580980	672950428	/nfs/dbraw/zinc/95/04/28/672950428.db2.gz	NZPAXLUTWOSQSD-UHFFFAOYSA-N	-1	3	364.345	2.354	20	30		FEEDHM
O=C(NCc1nc(C(F)(F)F)n[n-]1)N1CCCC[C@@H]1[C@H]1CNC(=O)C1	ZINC000330164593	673086344	/nfs/dbraw/zinc/08/63/44/673086344.db2.gz	WDEMXXHPESQIFV-RKDXNWHRSA-N	-1	3	360.340	2.068	20	30		FEEDHM
CC(C)C[C@@H](C#N)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1	ZINC000726559385	673130345	/nfs/dbraw/zinc/13/03/45/673130345.db2.gz	FLJSVQZWDCAVON-ZDUSSCGKSA-N	-1	3	355.435	2.180	20	30		FEEDHM
C=CCC1([N-]S(=O)(=O)c2ccc(C(=O)OC)cc2F)CCOCC1	ZINC000594846361	673160971	/nfs/dbraw/zinc/16/09/71/673160971.db2.gz	RAVICVXCKPXPEI-UHFFFAOYSA-N	-1	3	357.403	2.016	20	30		FEEDHM
C=CC[C@H](CO)C[N-]S(=O)(=O)c1cc(C)c(Br)s1	ZINC000538120441	673422764	/nfs/dbraw/zinc/42/27/64/673422764.db2.gz	ZSOHJPOFWRTTRB-VIFPVBQESA-N	-1	3	354.291	2.282	20	30		FEEDHM
CC(=O)Nc1nc(C)c(S(=O)(=O)[N-][C@]2(C#N)CCC[C@H](C)C2)s1	ZINC000614080218	676159499	/nfs/dbraw/zinc/15/94/99/676159499.db2.gz	HGKWABSUCBLJCL-LKFCYVNXSA-N	-1	3	356.473	2.161	20	30		FEEDHM
C[C@H](CC(=O)N(C)[C@@H](C)C(C)(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000742522171	673729730	/nfs/dbraw/zinc/72/97/30/673729730.db2.gz	MSFVSNXLARKWLZ-OLZOCXBDSA-N	-1	3	365.499	2.397	20	30		FEEDHM
O=C1Nc2cccc(Cl)c2C1=N[N-]S(=O)(=O)CCc1ccccc1	ZINC000743448710	673760071	/nfs/dbraw/zinc/76/00/71/673760071.db2.gz	BKYMDJKYUKZWJT-UHFFFAOYSA-N	-1	3	363.826	2.158	20	30		FEEDHM
CCCOc1c(Br)cc(C=NN2CC(=O)[N-]C2=O)cc1OC	ZINC000744810512	673812089	/nfs/dbraw/zinc/81/20/89/673812089.db2.gz	RDUGMELYKBHGRI-UHFFFAOYSA-N	-1	3	370.203	2.132	20	30		FEEDHM
O=C(COc1c(Cl)cc(Cl)cc1Cl)N[C@H]1CCN([O-])C1=O	ZINC000820137243	675338782	/nfs/dbraw/zinc/33/87/82/675338782.db2.gz	LMQTVBDPRSAKFR-VIFPVBQESA-N	-1	3	353.589	2.132	20	30		FEEDHM
N#Cc1ccccc1Sc1ccccc1C(=O)N[C@H]1CCN([O-])C1=O	ZINC000820178972	675341573	/nfs/dbraw/zinc/34/15/73/675341573.db2.gz	CNLSUZRFDBYVHX-AWEZNQCLSA-N	-1	3	353.403	2.429	20	30		FEEDHM
O=C(Nc1ccccc1C(=O)N[C@@H]1CCCN([O-])C1=O)c1ccsc1	ZINC000820482588	675365246	/nfs/dbraw/zinc/36/52/46/675365246.db2.gz	NUCMLYJXCITFIJ-CQSZACIVSA-N	-1	3	359.407	2.110	20	30		FEEDHM
C[C@@H](OC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21)c1ccc(F)cc1	ZINC000821692735	675445818	/nfs/dbraw/zinc/44/58/18/675445818.db2.gz	YMMBLRULDXSUKI-LLVKDONJSA-N	-1	3	362.382	2.169	20	30		FEEDHM
NC(=NOCc1cccc(-c2nnn[n-]2)c1)c1ccc(Br)cc1	ZINC000826388787	675687803	/nfs/dbraw/zinc/68/78/03/675687803.db2.gz	JHZGEMUQQPKZFQ-UHFFFAOYSA-N	-1	3	373.214	2.466	20	30		FEEDHM
NC(=NOCc1cccc(-c2nn[n-]n2)c1)c1ccc(Br)cc1	ZINC000826388787	675687806	/nfs/dbraw/zinc/68/78/06/675687806.db2.gz	JHZGEMUQQPKZFQ-UHFFFAOYSA-N	-1	3	373.214	2.466	20	30		FEEDHM
CCOC(=O)[C@H]([N-]S(=O)(=O)c1cccc(CC#N)c1)c1ccccc1	ZINC000619488391	676380503	/nfs/dbraw/zinc/38/05/03/676380503.db2.gz	YSLFILIWPQAFAS-QGZVFWFLSA-N	-1	3	358.419	2.335	20	30		FEEDHM
CCN(CCC1CC1)C(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000760989545	680706874	/nfs/dbraw/zinc/70/68/74/680706874.db2.gz	ZPGVEECDQZBXIG-CYBMUJFWSA-N	-1	3	363.483	2.152	20	30		FEEDHM
COc1ccc(CN=Nc2nccnc2OC)c(Br)c1[O-]	ZINC000763410599	680782445	/nfs/dbraw/zinc/78/24/45/680782445.db2.gz	BTAJXYQRMQYTAH-UHFFFAOYSA-N	-1	3	353.176	2.408	20	30		FEEDHM
C[C@H](CC(=O)OCCC1(C)CC1)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000764249063	680804044	/nfs/dbraw/zinc/80/40/44/680804044.db2.gz	XXYKNHARUJBUKR-GFCCVEGCSA-N	-1	3	350.440	2.237	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)O[C@H]2CCC(C)(C)C2=O)ccc1F	ZINC000840198385	680806727	/nfs/dbraw/zinc/80/67/27/680806727.db2.gz	GVZJATYFCIUEAB-ZDUSSCGKSA-N	-1	3	369.414	2.205	20	30		FEEDHM
O=C(CC(=O)OCc1c(F)c(F)c(F)c(F)c1F)[N-]CC(F)(F)F	ZINC000764576246	680815431	/nfs/dbraw/zinc/81/54/31/680815431.db2.gz	DBBODFRPCBHDDL-UHFFFAOYSA-N	-1	3	365.176	2.494	20	30		FEEDHM
C#CCOc1ccc([C@H](C)OC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C)cc1	ZINC000764634823	680817519	/nfs/dbraw/zinc/81/75/19/680817519.db2.gz	WEDIHVSVQIDKEF-BBRMVZONSA-N	-1	3	367.467	2.267	20	30		FEEDHM
C=CCC[C@@H](CO)[N-]S(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C	ZINC000832597217	680154246	/nfs/dbraw/zinc/15/42/46/680154246.db2.gz	PAZMTXPBAKMUOP-VIFPVBQESA-N	-1	3	367.876	2.102	20	30		FEEDHM
C[C@H](C#N)CN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)C1CC1	ZINC000754175737	680341729	/nfs/dbraw/zinc/34/17/29/680341729.db2.gz	UOCNLNXRUABKIX-LLVKDONJSA-N	-1	3	365.430	2.031	20	30		FEEDHM
C#C[C@H](CC)NC(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1	ZINC000754676848	680370286	/nfs/dbraw/zinc/37/02/86/680370286.db2.gz	YHBLYRGHOGOMRE-GFCCVEGCSA-N	-1	3	357.435	2.480	20	30		FEEDHM
CC(C)[C@H]1CCN(C(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)C1	ZINC000755623310	680424939	/nfs/dbraw/zinc/42/49/39/680424939.db2.gz	RBEIRJNDSCWESA-KGLIPLIRSA-N	-1	3	363.483	2.008	20	30		FEEDHM
Cn1nc(Br)c2c1ncnc2N=NCc1ccc([O-])c(F)c1	ZINC000755683437	680428500	/nfs/dbraw/zinc/42/85/00/680428500.db2.gz	QINUKRMINQBSEO-UHFFFAOYSA-N	-1	3	365.166	2.417	20	30		FEEDHM
CC1(C)CCC[C@@H](OC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)C1	ZINC000836163503	680430793	/nfs/dbraw/zinc/43/07/93/680430793.db2.gz	CCSCAXWOTCCIPS-GFCCVEGCSA-N	-1	3	350.440	2.237	20	30		FEEDHM
CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N1CC(CC)C1	ZINC000837264432	680576138	/nfs/dbraw/zinc/57/61/38/680576138.db2.gz	VEEAPCZUZVYWDF-HNNXBMFYSA-N	-1	3	363.483	2.152	20	30		FEEDHM
C#C[C@@H](C)N(C)C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl	ZINC000769655807	680990538	/nfs/dbraw/zinc/99/05/38/680990538.db2.gz	IZIQBQGXQIREDV-SNVBAGLBSA-N	-1	3	363.266	2.142	20	30		FEEDHM
Cc1cscc1-c1noc(C/N=C2/[N-]S(=O)(=O)c3ccccc32)n1	ZINC000771524784	681058232	/nfs/dbraw/zinc/05/82/32/681058232.db2.gz	JNVCDRXGKQGQOF-UHFFFAOYSA-N	-1	3	360.420	2.345	20	30		FEEDHM
C=CCCCCNC(=O)C[C@H](C)[N-]S(=O)(=O)c1cccnc1Cl	ZINC000771555550	681059456	/nfs/dbraw/zinc/05/94/56/681059456.db2.gz	HUGHVEIAHPYCQR-LBPRGKRZSA-N	-1	3	359.879	2.264	20	30		FEEDHM
CC(C)C(NC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21)C(C)C	ZINC000771745295	681067711	/nfs/dbraw/zinc/06/77/11/681067711.db2.gz	AYVVQAVOMYUEDB-CYBMUJFWSA-N	-1	3	365.499	2.301	20	30		FEEDHM
CC[C@@H]1CC[C@H](C)N1C(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000772873511	681115940	/nfs/dbraw/zinc/11/59/40/681115940.db2.gz	SJLGQBQYIRTGNE-MELADBBJSA-N	-1	3	363.483	2.293	20	30		FEEDHM
C=C(C)CO[N-]C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000846538206	681256316	/nfs/dbraw/zinc/25/63/16/681256316.db2.gz	RNAPZEBZWRKAJD-UHFFFAOYSA-N	-1	3	352.456	2.028	20	30		FEEDHM
CSC(C)(C)COC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000775317858	681297375	/nfs/dbraw/zinc/29/73/75/681297375.db2.gz	DDEHZMCXTLRAHS-LLVKDONJSA-N	-1	3	370.496	2.189	20	30		FEEDHM
N#CCOc1cc(F)ccc1NC(=O)NCc1nc(C(F)(F)F)n[n-]1	ZINC000775670362	681323193	/nfs/dbraw/zinc/32/31/93/681323193.db2.gz	HVXZDAPMIOPQQH-UHFFFAOYSA-N	-1	3	358.255	2.187	20	30		FEEDHM
CC(C)(C#N)CCOC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1	ZINC000776383678	681388083	/nfs/dbraw/zinc/38/80/83/681388083.db2.gz	XBIGUPNHHHOBSU-UHFFFAOYSA-N	-1	3	350.849	2.163	20	30		FEEDHM
C[N-]S(=O)(=O)c1cc(C(=O)O[C@H](C#N)C2CCCCC2)ccc1F	ZINC000776390978	681388311	/nfs/dbraw/zinc/38/83/11/681388311.db2.gz	BCPOVKKEWKYJNY-CQSZACIVSA-N	-1	3	354.403	2.363	20	30		FEEDHM
CC1(C#N)CCN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)CC1	ZINC000781028155	681896224	/nfs/dbraw/zinc/89/62/24/681896224.db2.gz	KTQGPJPLEMQSBO-UHFFFAOYSA-N	-1	3	365.430	2.032	20	30		FEEDHM
N#Cc1ccc(C2(C(=O)OCC(=O)[N-]C(=O)c3cccs3)CC2)cc1	ZINC000781400992	681930683	/nfs/dbraw/zinc/93/06/83/681930683.db2.gz	MUCSBLTVKBEVKV-UHFFFAOYSA-N	-1	3	354.387	2.151	20	30		FEEDHM
C[C@@H](CC(=O)OC[C@H]1C[C@H]2C[C@H]2C1)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000851414825	682062316	/nfs/dbraw/zinc/06/23/16/682062316.db2.gz	HFCIOCPFMNVRIH-XDQVBPFNSA-N	-1	3	362.451	2.093	20	30		FEEDHM
C#CCOCC[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1	ZINC000784451225	682227531	/nfs/dbraw/zinc/22/75/31/682227531.db2.gz	DZPBKQFKLXKPKY-UHFFFAOYSA-N	-1	3	356.856	2.392	20	30		FEEDHM
C=C[C@@H]1CCCCN1C(=O)C[C@@H](C)[N-]S(=O)(=O)c1cccnc1Cl	ZINC000787682744	682472709	/nfs/dbraw/zinc/47/27/09/682472709.db2.gz	ZDNVBGMDPIMCFJ-CHWSQXEVSA-N	-1	3	371.890	2.359	20	30		FEEDHM
CC(C)(Oc1ccc(Br)cc1)C(=O)N[C@@H]1CCCN([O-])C1=O	ZINC000854649001	682575145	/nfs/dbraw/zinc/57/51/45/682575145.db2.gz	OAPRSLAYOAKUAN-GFCCVEGCSA-N	-1	3	371.231	2.103	20	30		FEEDHM
C=CCCO[N-]C(=O)Cc1ccc(S(=O)(=O)CC(F)(F)F)cc1	ZINC000856031796	682736393	/nfs/dbraw/zinc/73/63/93/682736393.db2.gz	BNHRMFYKSWEBMM-UHFFFAOYSA-N	-1	3	351.346	2.189	20	30		FEEDHM
C=CCCC(C)(C)NC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000856374371	682771937	/nfs/dbraw/zinc/77/19/37/682771937.db2.gz	YNUZGGLQEXRLBR-ZDUSSCGKSA-N	-1	3	363.483	2.365	20	30		FEEDHM
C[C@@H](CC(=O)OCCCCCF)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000791972444	682778470	/nfs/dbraw/zinc/77/84/70/682778470.db2.gz	YMLNSAWGMXNDPW-LBPRGKRZSA-N	-1	3	356.419	2.187	20	30		FEEDHM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]CC[C@H]1CC1(Cl)Cl	ZINC000856753394	682806453	/nfs/dbraw/zinc/80/64/53/682806453.db2.gz	YVSAPAQJHZRSRH-QMMMGPOBSA-N	-1	3	364.210	2.329	20	30		FEEDHM
O=C1CN(N=Cc2ccc(Br)cc2C(F)(F)F)C(=O)[N-]1	ZINC000794484296	682972431	/nfs/dbraw/zinc/97/24/31/682972431.db2.gz	SZZVSUFPVNFSPT-UHFFFAOYSA-N	-1	3	350.094	2.354	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1nc2c(s1)CCC2	ZINC000927662633	683287513	/nfs/dbraw/zinc/28/75/13/683287513.db2.gz	FYUXSTGUSFACDM-UHFFFAOYSA-N	-1	3	356.451	2.470	20	30		FEEDHM
C=C(Cl)C[C@H]([N-]S(=O)(=O)c1cccc(F)c1C#N)C(=O)OCC	ZINC000867592356	684324424	/nfs/dbraw/zinc/32/44/24/684324424.db2.gz	ZEKYTPRXDSTXDQ-LBPRGKRZSA-N	-1	3	360.794	2.050	20	30		FEEDHM
N#Cc1ccc2c(c1)C[C@H]([N-]S(=O)(=O)c1cnccc1C(F)(F)F)C2	ZINC000867861791	684412681	/nfs/dbraw/zinc/41/26/81/684412681.db2.gz	HXWNIRMOZQITLI-CYBMUJFWSA-N	-1	3	367.352	2.418	20	30		FEEDHM
N#Cc1cnc(Cl)c(CN2CCN(C(=O)c3ccccc3[O-])CC2)c1	ZINC000876613755	686228716	/nfs/dbraw/zinc/22/87/16/686228716.db2.gz	CXJJAAYQMWGCNJ-UHFFFAOYSA-N	-1	3	356.813	2.270	20	30		FEEDHM
C=CCc1cc(CN2CC(C[N-]C(=O)C(F)(F)F)C2)cc(OC)c1O	ZINC000877777237	686454864	/nfs/dbraw/zinc/45/48/64/686454864.db2.gz	RLQAMNKOKFVKOB-UHFFFAOYSA-N	-1	3	358.360	2.240	20	30		FEEDHM
COc1cc(C)c(Br)cc1NC(=O)N[C@@H]1CCCN([O-])C1=O	ZINC000879206850	686768665	/nfs/dbraw/zinc/76/86/65/686768665.db2.gz	WXRJWTMIZMVHGY-SNVBAGLBSA-N	-1	3	372.219	2.268	20	30		FEEDHM
O=C(Nc1cc(Br)c(F)cc1F)N[C@H]1CCCN([O-])C1=O	ZINC000879330259	686796675	/nfs/dbraw/zinc/79/66/75/686796675.db2.gz	XJSZXZQUTZFHJM-VIFPVBQESA-N	-1	3	364.146	2.229	20	30		FEEDHM
C=C[C@@H](C(=O)OC)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21	ZINC000879467498	686828268	/nfs/dbraw/zinc/82/82/68/686828268.db2.gz	IEMPEYPKLWLGKA-YPMHNXCESA-N	-1	3	356.344	2.386	20	30		FEEDHM
CCOC(=O)CSc1nnc([N-]C(=O)c2ccc(C#N)s2)s1	ZINC000486667645	686923023	/nfs/dbraw/zinc/92/30/23/686923023.db2.gz	QTNAXXUDRADONP-UHFFFAOYSA-N	-1	3	354.438	2.379	20	30		FEEDHM
C=C(C)C[C@@H]([N-]S(=O)(=O)CC[C@H]1CC1(Cl)Cl)C(=O)OCC	ZINC000882645115	687425723	/nfs/dbraw/zinc/42/57/23/687425723.db2.gz	KNXJJLXRSJSYEF-WDEREUQCSA-N	-1	3	358.287	2.388	20	30		FEEDHM
C=C(C)C[C@@H](CO)[N-]S(=O)(=O)c1cc(F)ccc1Br	ZINC000882848101	687512688	/nfs/dbraw/zinc/51/26/88/687512688.db2.gz	ZEMABIPDUHANPX-JTQLQIEISA-N	-1	3	352.225	2.194	20	30		FEEDHM
C[C@H]1CCN(C[C@H](O)CC2(C#N)CCC2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F	ZINC000886206049	688213891	/nfs/dbraw/zinc/21/38/91/688213891.db2.gz	HDBRDXYCXSPKAK-FQUUOJAGSA-N	-1	3	361.408	2.209	20	30		FEEDHM
Cn1cc(N2C[C@@H](C(=O)N([O-])Cc3ccccc3Cl)CCC2=O)cn1	ZINC000900678565	690547323	/nfs/dbraw/zinc/54/73/23/690547323.db2.gz	JNNUULJEZFJAJG-ZDUSSCGKSA-N	-1	3	362.817	2.235	20	30		FEEDHM
O=C(c1c(Br)nc2n1CCOC2)N([O-])Cc1ccc(F)cc1	ZINC000904178327	691010275	/nfs/dbraw/zinc/01/02/75/691010275.db2.gz	FZZIVDYOOGNMDE-UHFFFAOYSA-N	-1	3	370.178	2.347	20	30		FEEDHM
COC(=O)[C@@H](Cc1c[nH]c2ccccc12)/N=C/c1c([O-])c(C)ncc1CO	ZINC000005334587	539408110	/nfs/dbraw/zinc/40/81/10/539408110.db2.gz	SZNGDTDXVMJWPK-ZICLHRSZSA-N	-1	3	367.405	2.272	20	30		FEEDHM
C=CCNC(=O)[C@@H](C)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1	ZINC000053019794	540505460	/nfs/dbraw/zinc/50/54/60/540505460.db2.gz	GWGYCWUQIHKUKS-GFCCVEGCSA-N	-1	3	365.861	2.387	20	30		FEEDHM
CCOC(=O)c1csc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)n1	ZINC000060949290	541124162	/nfs/dbraw/zinc/12/41/62/541124162.db2.gz	ADKFMMYAHHKUMT-UHFFFAOYSA-N	-1	3	374.422	2.068	20	30		FEEDHM
COc1ccc(C(=O)N2CCOCC2)cc1/N=C/c1cccc([O-])c1O	ZINC000062692403	541153348	/nfs/dbraw/zinc/15/33/48/541153348.db2.gz	HAGNWEQBFPSTTP-UDWIEESQSA-N	-1	3	356.378	2.329	20	30		FEEDHM
C#CCN1CCC(C(=O)N2CCC(c3n[n-]c(=S)n3CC)CC2)CC1	ZINC000068452487	541594510	/nfs/dbraw/zinc/59/45/10/541594510.db2.gz	RRQJQRYAMIVRTE-UHFFFAOYSA-N	-1	3	361.515	2.012	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCCc1nc(C(C)C)no1	ZINC000068989697	541646687	/nfs/dbraw/zinc/64/66/87/541646687.db2.gz	GVFNHUCIGKYQOB-UHFFFAOYSA-N	-1	3	371.441	2.051	20	30		FEEDHM
CCN(CC#N)C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl	ZINC000069008146	541647980	/nfs/dbraw/zinc/64/79/80/541647980.db2.gz	KKELDRGYZRWIMD-UHFFFAOYSA-N	-1	3	364.254	2.034	20	30		FEEDHM
COc1cc(OCC(=O)Nc2nnc(-c3ccccn3)[n-]2)ccc1[N+](=O)[O-]	ZINC000070822290	541745128	/nfs/dbraw/zinc/74/51/28/541745128.db2.gz	AVYLJHAEZUJRRG-UHFFFAOYSA-N	-1	3	370.325	2.451	20	30		FEEDHM
COc1cc(OCC(=O)Nc2nc(-c3ccccn3)n[n-]2)ccc1[N+](=O)[O-]	ZINC000070822290	541745130	/nfs/dbraw/zinc/74/51/30/541745130.db2.gz	AVYLJHAEZUJRRG-UHFFFAOYSA-N	-1	3	370.325	2.451	20	30		FEEDHM
COc1cc(OCC(=O)Nc2n[n-]c(-c3ccccn3)n2)ccc1[N+](=O)[O-]	ZINC000070822290	541745131	/nfs/dbraw/zinc/74/51/31/541745131.db2.gz	AVYLJHAEZUJRRG-UHFFFAOYSA-N	-1	3	370.325	2.451	20	30		FEEDHM
Cc1nc(C)c(CC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)c(=O)[n-]1	ZINC000075298856	542166908	/nfs/dbraw/zinc/16/69/08/542166908.db2.gz	OQCMCJUDBNBBOS-MSOLQXFVSA-N	-1	3	350.422	2.228	20	30		FEEDHM
COc1ccccc1-c1nc(NC(=O)CNC(=O)c2ccoc2C)n[n-]1	ZINC000076969319	542337117	/nfs/dbraw/zinc/33/71/17/542337117.db2.gz	JJVQKDPOGMKBLW-UHFFFAOYSA-N	-1	3	355.354	2.400	20	30		FEEDHM
C[N-]S(=O)(=O)c1cc(C(=O)N(CCC#N)c2ccc(F)cc2)c(C)o1	ZINC000081753612	542675624	/nfs/dbraw/zinc/67/56/24/542675624.db2.gz	PTALVGLOZKIDIJ-UHFFFAOYSA-N	-1	3	365.386	2.196	20	30		FEEDHM
COC(=O)c1ccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c(F)c1	ZINC000103934969	543118595	/nfs/dbraw/zinc/11/85/95/543118595.db2.gz	PJPFPVABPLIUEI-UHFFFAOYSA-N	-1	3	371.368	2.360	20	30		FEEDHM
N#Cc1cccc(OCCCN2CCN(C(=O)c3ccc([O-])cc3)CC2)c1	ZINC000122670730	543717056	/nfs/dbraw/zinc/71/70/56/543717056.db2.gz	IATCWXKEVJSYLG-UHFFFAOYSA-N	-1	3	365.433	2.491	20	30		FEEDHM
N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C[C@H](CO)c1ccccc1	ZINC000125442171	543881904	/nfs/dbraw/zinc/88/19/04/543881904.db2.gz	VBHYZMRLDHZHCJ-CYBMUJFWSA-N	-1	3	350.827	2.266	20	30		FEEDHM
N#CCN1CCC(C[N-]S(=O)(=O)c2ccccc2C(F)(F)F)CC1	ZINC000129108566	544091211	/nfs/dbraw/zinc/09/12/11/544091211.db2.gz	TYKIYVAJRBDXFK-UHFFFAOYSA-N	-1	3	361.389	2.219	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)[C@@H](O)Cc1ccccc1	ZINC000129211762	544097927	/nfs/dbraw/zinc/09/79/27/544097927.db2.gz	NAWFUHFVMSCFGE-WBMJQRKESA-N	-1	3	364.854	2.482	20	30		FEEDHM
C#CCSCC[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F	ZINC000151713710	544572038	/nfs/dbraw/zinc/57/20/38/544572038.db2.gz	JNIIVTMSIAXMCR-UHFFFAOYSA-N	-1	3	364.851	2.082	20	30		FEEDHM
CN(C)c1cccc(C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)n1	ZINC000180210783	327676507	/nfs/dbraw/zinc/67/65/07/327676507.db2.gz	MMXPZCURCSHWDV-UHFFFAOYSA-N	-1	3	350.831	2.151	20	30		FEEDHM
N#Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccc(NC(N)=O)cc2)c1	ZINC000186228019	327952912	/nfs/dbraw/zinc/95/29/12/327952912.db2.gz	UUBBPLWHCIGRPD-UHFFFAOYSA-N	-1	3	364.814	2.181	20	30		FEEDHM
COC(=O)c1scc(C)c1S(=O)(=O)[N-]Cc1cc(C#N)ccc1F	ZINC000190163153	328191994	/nfs/dbraw/zinc/19/19/94/328191994.db2.gz	OFBWRYQMNBYEGG-UHFFFAOYSA-N	-1	3	368.411	2.332	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCCC[C@@H]1n1cccn1	ZINC000080512674	325134105	/nfs/dbraw/zinc/13/41/05/325134105.db2.gz	CFHNIAVUSVYXQB-MSOLQXFVSA-N	-1	3	367.453	2.293	20	30		FEEDHM
CC1([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)Cc2ccccc2C1	ZINC000092268330	325408560	/nfs/dbraw/zinc/40/85/60/325408560.db2.gz	AETUQHNVKMPGGD-UHFFFAOYSA-N	-1	3	357.391	2.302	20	30		FEEDHM
CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C12CCC2	ZINC000122145747	326385426	/nfs/dbraw/zinc/38/54/26/326385426.db2.gz	VHAZOOOAJSKPJJ-GJZGRUSLSA-N	-1	3	365.411	2.092	20	30		FEEDHM
CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C12CCC2	ZINC000122145520	326385610	/nfs/dbraw/zinc/38/56/10/326385610.db2.gz	VHAZOOOAJSKPJJ-LSDHHAIUSA-N	-1	3	365.411	2.092	20	30		FEEDHM
COC(=O)c1c(F)cccc1S(=O)(=O)[N-]Cc1cc(C#N)ccc1F	ZINC000122655028	326404569	/nfs/dbraw/zinc/40/45/69/326404569.db2.gz	DSAHYPODBQSHCE-UHFFFAOYSA-N	-1	3	366.345	2.102	20	30		FEEDHM
CCC1(CC)[C@H]([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C[C@@H]1OC	ZINC000127002855	326498603	/nfs/dbraw/zinc/49/86/03/326498603.db2.gz	WSXYHLXYYVJIAO-CABCVRRESA-N	-1	3	367.427	2.338	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H]([C@H]1CCCO1)C(F)(F)F	ZINC000158901452	326911647	/nfs/dbraw/zinc/91/16/47/326911647.db2.gz	BFXWGQDGBJOKNE-HIFRSBDPSA-N	-1	3	372.343	2.449	20	30		FEEDHM
Cc1nc([C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2C)c2ccccc2)n[nH]1	ZINC000172674898	327214188	/nfs/dbraw/zinc/21/41/88/327214188.db2.gz	URDCTXWOWFDOSH-KRWDZBQOSA-N	-1	3	367.434	2.361	20	30		FEEDHM
CC[C@@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)[C@H](O)C(F)(F)F	ZINC000274645549	329967529	/nfs/dbraw/zinc/96/75/29/329967529.db2.gz	AXBBULKLUBBGAH-KOLCDFICSA-N	-1	3	356.753	2.192	20	30		FEEDHM
CC(C)C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)C(=O)OC(C)C	ZINC000157579992	545757823	/nfs/dbraw/zinc/75/78/23/545757823.db2.gz	IKMIEBLNKAXCDA-AWEZNQCLSA-N	-1	3	356.419	2.342	20	30		FEEDHM
CCOC(=O)c1ccc(C[N-]S(=O)(=O)Cc2cc(C#N)ccc2F)o1	ZINC000164310710	546150143	/nfs/dbraw/zinc/15/01/43/546150143.db2.gz	SIWNNLCPFFTLBK-UHFFFAOYSA-N	-1	3	366.370	2.087	20	30		FEEDHM
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]Cc1ccc(C#N)cc1F	ZINC000170940635	546184095	/nfs/dbraw/zinc/18/40/95/546184095.db2.gz	SGKNLEQXYGYQRQ-UHFFFAOYSA-N	-1	3	365.342	2.093	20	30		FEEDHM
C=CCN1CCC([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)CC1	ZINC000176694583	546477125	/nfs/dbraw/zinc/47/71/25/546477125.db2.gz	VEFKYURROWPDFJ-UHFFFAOYSA-N	-1	3	373.862	2.485	20	30		FEEDHM
C=C(C)CN(C)C(=O)[C@@H](C)[N-]S(=O)(=O)c1ccccc1C(F)(F)F	ZINC000183046633	547592642	/nfs/dbraw/zinc/59/26/42/547592642.db2.gz	IGEJGXSKLHJOEJ-LLVKDONJSA-N	-1	3	364.389	2.407	20	30		FEEDHM
Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N[C@H](C)CC#N)cs2)c1	ZINC000183638026	547693001	/nfs/dbraw/zinc/69/30/01/547693001.db2.gz	FZWKMLLBAKONNP-LLVKDONJSA-N	-1	3	358.423	2.370	20	30		FEEDHM
Cc1nn(C)c(C)c1C[C@H](C)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl	ZINC000183746259	547711000	/nfs/dbraw/zinc/71/10/00/547711000.db2.gz	LTAHOFAMDNUAEE-JTQLQIEISA-N	-1	3	366.874	2.472	20	30		FEEDHM
Cc1ccc2c(c1)nc(C[N-]S(=O)(=O)c1ccc(F)cc1C#N)n2C	ZINC000184359235	547813720	/nfs/dbraw/zinc/81/37/20/547813720.db2.gz	RSNDVRKCQJTCRO-UHFFFAOYSA-N	-1	3	358.398	2.371	20	30		FEEDHM
Cc1nn(C)c(C)c1C[C@@H](C)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl	ZINC000184929230	547902516	/nfs/dbraw/zinc/90/25/16/547902516.db2.gz	FIJGIXPNDYBMLT-SNVBAGLBSA-N	-1	3	366.874	2.472	20	30		FEEDHM
Cc1cc(C)c(N2CC[C@@H]([N-]S(=O)(=O)CCCCC#N)C2=O)c(C)c1	ZINC000188626134	548284649	/nfs/dbraw/zinc/28/46/49/548284649.db2.gz	YCNPQTFSLJATCP-MRXNPFEDSA-N	-1	3	363.483	2.330	20	30		FEEDHM
N#Cc1ccc(CS(=O)(=O)c2nnc(Cc3ccccc3)[n-]2)cc1F	ZINC000195289944	548613588	/nfs/dbraw/zinc/61/35/88/548613588.db2.gz	CTNLEDMJBHVLSU-UHFFFAOYSA-N	-1	3	356.382	2.380	20	30		FEEDHM
N#Cc1ccc(SCC(=O)NCCCNC(=O)c2cccc([O-])c2)cc1	ZINC000489957924	561423239	/nfs/dbraw/zinc/42/32/39/561423239.db2.gz	OUCNCYCMEQJKKU-UHFFFAOYSA-N	-1	3	369.446	2.292	20	30		FEEDHM
C=CCN(CC=C)[C@H](CNC(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1)C(C)C	ZINC000263362185	549897758	/nfs/dbraw/zinc/89/77/58/549897758.db2.gz	SEJDBVRCEZLYRK-YESZJQIVSA-N	-1	3	351.491	2.437	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N(CCC#N)CC(C)(C)C	ZINC000264250054	549993226	/nfs/dbraw/zinc/99/32/26/549993226.db2.gz	KUGNQVKLLOGDMI-LBPRGKRZSA-N	-1	3	357.501	2.203	20	30		FEEDHM
C=C(C)CN1CCC(NC(=O)CCc2c(C)nc(SC)[n-]c2=O)CC1	ZINC000264449557	549995834	/nfs/dbraw/zinc/99/58/34/549995834.db2.gz	CNNKCSBTOHKUIB-UHFFFAOYSA-N	-1	3	364.515	2.302	20	30		FEEDHM
C#CCN(CC)C(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1	ZINC000274178896	550526719	/nfs/dbraw/zinc/52/67/19/550526719.db2.gz	IPEUYUHUHKGZTF-UHFFFAOYSA-N	-1	3	357.435	2.434	20	30		FEEDHM
N#CCCC[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1	ZINC000275126915	550570769	/nfs/dbraw/zinc/57/07/69/550570769.db2.gz	BCFCWKIDZRRKKH-LBPRGKRZSA-N	-1	3	358.847	2.337	20	30		FEEDHM
CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)C(C)(C)C#N)cc1	ZINC000275646134	550573508	/nfs/dbraw/zinc/57/35/08/550573508.db2.gz	CAGVPWOTQAGVQN-UHFFFAOYSA-N	-1	3	373.500	2.151	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@H](O)Cc2ccccc21	ZINC000279550176	550902206	/nfs/dbraw/zinc/90/22/06/550902206.db2.gz	PCHJHDAPWCREAQ-OAHLLOKOSA-N	-1	3	351.406	2.159	20	30		FEEDHM
C=C(C)[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(OC)c(OC)cc1F	ZINC000280497450	551000757	/nfs/dbraw/zinc/00/07/57/551000757.db2.gz	BRUCPEUCKCSYJE-ZBEGNZNMSA-N	-1	3	359.419	2.102	20	30		FEEDHM
CC[C@@]([N-]S(=O)(=O)CCCC#N)(C(=O)OC)c1ccc(Cl)cc1	ZINC000285405702	551751125	/nfs/dbraw/zinc/75/11/25/551751125.db2.gz	UKQBEFJGSRVOGM-HNNXBMFYSA-N	-1	3	358.847	2.341	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCOC[C@H]1CC(F)F	ZINC000286790374	551926120	/nfs/dbraw/zinc/92/61/20/551926120.db2.gz	TWQFYXSCCVLRSA-GFCCVEGCSA-N	-1	3	353.369	2.091	20	30		FEEDHM
C[C@H]1COCC[C@H]1[N-]S(=O)(=O)c1cccc(Br)c1C#N	ZINC000287255887	551981859	/nfs/dbraw/zinc/98/18/59/551981859.db2.gz	HNKIMFOFSQWYOX-JOYOIKCWSA-N	-1	3	359.245	2.024	20	30		FEEDHM
CC1(C)C[C@]1(C#N)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br	ZINC000290904258	552559128	/nfs/dbraw/zinc/55/91/28/552559128.db2.gz	FRDHNDQMDZYNJL-GFCCVEGCSA-N	-1	3	374.216	2.328	20	30		FEEDHM
COc1ccc(Br)c(S(=O)(=O)[N-][C@@]2(C#N)CC2(C)C)c1	ZINC000290940386	552565609	/nfs/dbraw/zinc/56/56/09/552565609.db2.gz	LIFUUMPDYVAOJA-CYBMUJFWSA-N	-1	3	359.245	2.428	20	30		FEEDHM
CN(C)C(=O)COc1ccc(C(F)(F)C(=O)[N-][C@]2(C#N)CC2(C)C)cc1	ZINC000291403245	552621354	/nfs/dbraw/zinc/62/13/54/552621354.db2.gz	IEAFAPYQSAPZQC-KRWDZBQOSA-N	-1	3	365.380	2.054	20	30		FEEDHM
C=CCCCS(=O)(=O)[N-][C@@H](C(=O)OCC)c1ccc(OC)c(F)c1	ZINC000292530141	552735509	/nfs/dbraw/zinc/73/55/09/552735509.db2.gz	IWEHPSGVTXYQJQ-OAHLLOKOSA-N	-1	3	359.419	2.324	20	30		FEEDHM
CCc1cc(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)ccc1[O-]	ZINC000292872757	552767408	/nfs/dbraw/zinc/76/74/08/552767408.db2.gz	LOMVHDOYGOFTIC-GOSISDBHSA-N	-1	3	363.417	2.357	20	30		FEEDHM
COCC[C@H]([N-]S(=O)(=O)Cc1ccc(F)cc1C#N)c1ccco1	ZINC000295219559	552971220	/nfs/dbraw/zinc/97/12/20/552971220.db2.gz	VNSDHSSDVCBDFQ-HNNXBMFYSA-N	-1	3	352.387	2.488	20	30		FEEDHM
CC[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)[C@H](O)C(F)F	ZINC000295489231	553015349	/nfs/dbraw/zinc/01/53/49/553015349.db2.gz	AWSJYZGEGJGGKJ-ONGXEEELSA-N	-1	3	372.315	2.260	20	30		FEEDHM
CCCN(Cc1ccc(C#N)cc1)C(=O)c1cncc([N-]S(C)(=O)=O)c1	ZINC000502191338	561614051	/nfs/dbraw/zinc/61/40/51/561614051.db2.gz	IJDRYOUOLXVAHR-UHFFFAOYSA-N	-1	3	372.450	2.377	20	30		FEEDHM
COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CC[C@@H](CC#N)C2)c1	ZINC000295681939	553043901	/nfs/dbraw/zinc/04/39/01/553043901.db2.gz	IFEAPWHCODQKRB-JQWIXIFHSA-N	-1	3	356.831	2.487	20	30		FEEDHM
CCOC(=O)c1cc(F)c(OC)c(S(=O)(=O)[N-][C@H](C#N)C(C)(C)C)c1	ZINC000502425417	561618195	/nfs/dbraw/zinc/61/81/95/561618195.db2.gz	NEDNXTKAFQFTCO-CYBMUJFWSA-N	-1	3	372.418	2.228	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CC[C@@H](CC#N)C2)ccc1F	ZINC000296980225	553238149	/nfs/dbraw/zinc/23/81/49/553238149.db2.gz	QYAMZKDFYAKAOF-JSGCOSHPSA-N	-1	3	365.430	2.102	20	30		FEEDHM
N#Cc1ccc(N2CCN(C(=O)c3ccc([O-])cc3)CC2)c([N+](=O)[O-])c1	ZINC000301583051	553663281	/nfs/dbraw/zinc/66/32/81/553663281.db2.gz	UEMFLXFCDNIALH-UHFFFAOYSA-N	-1	3	352.350	2.134	20	30		FEEDHM
CC(C)CCN(CCC#N)C(=O)CNC(=O)c1c[n-]c2ccccc2c1=O	ZINC000505174572	561667271	/nfs/dbraw/zinc/66/72/71/561667271.db2.gz	IILPUWOBJLOFBZ-UHFFFAOYSA-N	-1	3	368.437	2.046	20	30		FEEDHM
C=CCC[C@H](CO)[N-]S(=O)(=O)c1ccc(Br)cc1F	ZINC000316001443	553761012	/nfs/dbraw/zinc/76/10/12/553761012.db2.gz	HHUASMQCGSPQNL-SNVBAGLBSA-N	-1	3	352.225	2.194	20	30		FEEDHM
O=C(CN1CC(=O)[N-]C1=O)NC[C@H](NCc1ccccc1)C(F)(F)F	ZINC000328592375	553794573	/nfs/dbraw/zinc/79/45/73/553794573.db2.gz	JXWGVFFBYUWTIF-NSHDSACASA-N	-1	3	358.320	2.056	20	30		FEEDHM
C[C@@H](C(=O)Nc1cccc2ncccc21)N1CCN2C(=O)[N-]C(=O)[C@H]2C1	ZINC000328931875	553847093	/nfs/dbraw/zinc/84/70/93/553847093.db2.gz	ZXEANFQBLFZBDR-XHDPSFHLSA-N	-1	3	353.382	2.288	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(Cc2ncc[nH]2)CC1	ZINC000329199932	553901058	/nfs/dbraw/zinc/90/10/58/553901058.db2.gz	WAOOGWWVMKUBCJ-UHFFFAOYSA-N	-1	3	367.453	2.413	20	30		FEEDHM
COCC[C@](C)(C#N)[N-]S(=O)(=O)Cc1cccc(C(F)(F)F)c1	ZINC000508069346	561750178	/nfs/dbraw/zinc/75/01/78/561750178.db2.gz	QQNBUAUZNDCCRO-CYBMUJFWSA-N	-1	3	350.362	2.444	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@](O)(C(F)(F)F)C1	ZINC000331025792	554202715	/nfs/dbraw/zinc/20/27/15/554202715.db2.gz	AYCFEMLNEOISRK-MRXNPFEDSA-N	-1	3	371.359	2.124	20	30		FEEDHM
COC(C)(C)C[C@@H](C)NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1	ZINC000331231696	554234315	/nfs/dbraw/zinc/23/43/15/554234315.db2.gz	IMQMLSWWWVILLA-CQSZACIVSA-N	-1	3	363.458	2.268	20	30		FEEDHM
CC(C)[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1)c1nncn1C	ZINC000510368281	561832650	/nfs/dbraw/zinc/83/26/50/561832650.db2.gz	BRQKAFRJPMDYRA-ZDUSSCGKSA-N	-1	3	353.835	2.016	20	30		FEEDHM
N#Cc1ccc(N2CCC[C@@H]([N-]S(=O)(=O)[C@H]3C[C@@H]4CC[C@H]3C4)C2=O)cc1	ZINC000333192131	554586755	/nfs/dbraw/zinc/58/67/55/554586755.db2.gz	SKRXHPYTVLEVMS-ATLSCFEFSA-N	-1	3	373.478	2.162	20	30		FEEDHM
N#Cc1c(F)cccc1C(=O)NC1CCN(C(=O)c2cccc([O-])c2)CC1	ZINC000364173232	555262915	/nfs/dbraw/zinc/26/29/15/555262915.db2.gz	SJDXSIKCDCDDQW-UHFFFAOYSA-N	-1	3	367.380	2.438	20	30		FEEDHM
N#Cc1cc(F)ccc1S(=O)(=O)[N-]C1(c2noc(C(F)F)n2)CCC1	ZINC000366227450	555787065	/nfs/dbraw/zinc/78/70/65/555787065.db2.gz	JIYIZIKPQJFQQL-UHFFFAOYSA-N	-1	3	372.328	2.376	20	30		FEEDHM
CCO[C@@H]1C[C@H]([N-]S(=O)(=O)CC2(C#N)CCC2)[C@H]1Oc1ccccc1	ZINC000514693081	561974272	/nfs/dbraw/zinc/97/42/72/561974272.db2.gz	DHHNTIULRIZYAG-GVDBMIGSSA-N	-1	3	364.467	2.225	20	30		FEEDHM
Cn1ccnc1[C@@H]([N-]S(=O)(=O)c1ccc(C#N)o1)c1cccc(F)c1	ZINC000367807333	556143856	/nfs/dbraw/zinc/14/38/56/556143856.db2.gz	STIRYIZDBCSGQG-HNNXBMFYSA-N	-1	3	360.370	2.092	20	30		FEEDHM
N#Cc1csc(C(=O)NC2CCN(C(=O)c3cccc([O-])c3)CC2)c1	ZINC000370721750	556949358	/nfs/dbraw/zinc/94/93/58/556949358.db2.gz	JAPYQRHZYJFUAF-UHFFFAOYSA-N	-1	3	355.419	2.360	20	30		FEEDHM
CCOC(=O)c1nc(C2CCN(Cc3cc(C#N)ccc3OC)CC2)n[n-]1	ZINC000373116358	557631950	/nfs/dbraw/zinc/63/19/50/557631950.db2.gz	VAYFDRMNXOAVJW-UHFFFAOYSA-N	-1	3	369.425	2.241	20	30		FEEDHM
N#CC(=C([O-])c1c[nH]c(C(=O)N2CCCC2)c1)c1nnc2n1CCCCC2	ZINC000519899492	562147486	/nfs/dbraw/zinc/14/74/86/562147486.db2.gz	LVKBKFFAYZYPHN-CQSZACIVSA-N	-1	3	366.425	2.059	20	30		FEEDHM
CC(C)c1nc2n(n1)CCC[C@H]2[N-]S(=O)(=O)c1ccc(C#N)s1	ZINC000373825919	557767644	/nfs/dbraw/zinc/76/76/44/557767644.db2.gz	VUJPOXPQABRUAM-LLVKDONJSA-N	-1	3	351.457	2.148	20	30		FEEDHM
CC[C@H](C)[C@H]([N-]S(=O)(=O)N(CC)C[C@@H](C)C#N)C(=O)OC(C)(C)C	ZINC000409507321	558698917	/nfs/dbraw/zinc/69/89/17/558698917.db2.gz	IOSKAJPXCZRUHQ-IHRRRGAJSA-N	-1	3	361.508	2.059	20	30		FEEDHM
N#Cc1ccc(Br)cc1S(=O)(=O)[N-][C@H]1CCCSC1	ZINC000416418829	559311640	/nfs/dbraw/zinc/31/16/40/559311640.db2.gz	QMOICNUUEBHOLH-NSHDSACASA-N	-1	3	361.286	2.495	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1C#N)[C@H]1CCCOC1	ZINC000416452498	559313912	/nfs/dbraw/zinc/31/39/12/559313912.db2.gz	CZEHAYJRYIAEFT-PWSUYJOCSA-N	-1	3	373.272	2.414	20	30		FEEDHM
C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2cc(Br)ccc2C#N)CCO1	ZINC000416456566	559314256	/nfs/dbraw/zinc/31/42/56/559314256.db2.gz	WGBNXZFBPIXPNG-MNOVXSKESA-N	-1	3	373.272	2.414	20	30		FEEDHM
CSC1(C[N-]S(=O)(=O)c2cc(Br)ccc2C#N)CC1	ZINC000416477357	559316194	/nfs/dbraw/zinc/31/61/94/559316194.db2.gz	SDDSZEPRPLRGKG-UHFFFAOYSA-N	-1	3	361.286	2.495	20	30		FEEDHM
CO[C@@H]([C@@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1C#N)C1CC1	ZINC000416496900	559317814	/nfs/dbraw/zinc/31/78/14/559317814.db2.gz	RFMRJHKSECDWNW-OTYXRUKQSA-N	-1	3	373.272	2.413	20	30		FEEDHM
COCC[C@@](C)(C#N)[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F	ZINC000421243967	559533249	/nfs/dbraw/zinc/53/32/49/559533249.db2.gz	FIXYCIXLLNQOMV-ZDUSSCGKSA-N	-1	3	352.334	2.024	20	30		FEEDHM
N#Cc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])s1	ZINC000421920129	559556627	/nfs/dbraw/zinc/55/66/27/559556627.db2.gz	OJUWETICAQLTHA-HNNXBMFYSA-N	-1	3	355.419	2.246	20	30		FEEDHM
CC(C)C[C@H](CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)C(=O)[O-]	ZINC000424410476	559663543	/nfs/dbraw/zinc/66/35/43/559663543.db2.gz	KKZXNTVMNJVLOF-GOSISDBHSA-N	-1	3	374.485	2.378	20	30		FEEDHM
C=CCC1(C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)CCOCC1	ZINC000424668551	559672935	/nfs/dbraw/zinc/67/29/35/559672935.db2.gz	RAWIGXGOTNIEOF-UHFFFAOYSA-N	-1	3	372.465	2.486	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(CCO)Cc1cccc(F)c1	ZINC000427551601	559757788	/nfs/dbraw/zinc/75/77/88/559757788.db2.gz	XVVWJJQRIFCIQK-UHFFFAOYSA-N	-1	3	371.412	2.369	20	30		FEEDHM
CN(C)[C@H](C[N-]S(=O)(=O)c1cccnc1C#N)c1ccccc1Cl	ZINC000428249248	559772213	/nfs/dbraw/zinc/77/22/13/559772213.db2.gz	UUPXVVRNKYTNTN-OAHLLOKOSA-N	-1	3	364.858	2.188	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-][C@@H]1CCN(c2cccc(Cl)c2)C1	ZINC000428370429	559774077	/nfs/dbraw/zinc/77/40/77/559774077.db2.gz	QMKMBHZYFLYUKG-CYBMUJFWSA-N	-1	3	362.842	2.164	20	30		FEEDHM
CCC[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1C#N)C(=O)OCC	ZINC000433471131	559882499	/nfs/dbraw/zinc/88/24/99/559882499.db2.gz	MTWBDFFBHRCNDB-NSHDSACASA-N	-1	3	358.847	2.469	20	30		FEEDHM
COC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(C#N)s1)c1ccc(F)cc1	ZINC000435437437	559923135	/nfs/dbraw/zinc/92/31/35/559923135.db2.gz	KNSMOCHCYRRLJD-ZDUSSCGKSA-N	-1	3	368.411	2.342	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]C[C@]2(CO)C[C@@H]2c2ccc(F)cc2)s1	ZINC000435446588	559923342	/nfs/dbraw/zinc/92/33/42/559923342.db2.gz	KQPVYXFEMZSVSF-ZBFHGGJFSA-N	-1	3	366.439	2.203	20	30		FEEDHM
Cc1nn(C)c(N2CCN(C(=O)c3ccc(C(C)C)cc3[O-])CC2)c1C#N	ZINC000436897409	559955788	/nfs/dbraw/zinc/95/57/88/559955788.db2.gz	YFADKAXFPAOQSY-UHFFFAOYSA-N	-1	3	367.453	2.392	20	30		FEEDHM
COC(=O)c1cccc2nc(NC(=O)COc3ccccc3C#N)[n-]c21	ZINC000438351075	559977940	/nfs/dbraw/zinc/97/79/40/559977940.db2.gz	FPNAZMMEQPEYRD-UHFFFAOYSA-N	-1	3	350.334	2.239	20	30		FEEDHM
COC(=O)c1cccc2[n-]c(NC(=O)COc3ccccc3C#N)nc21	ZINC000438351075	559977941	/nfs/dbraw/zinc/97/79/41/559977941.db2.gz	FPNAZMMEQPEYRD-UHFFFAOYSA-N	-1	3	350.334	2.239	20	30		FEEDHM
N#Cc1ccc(NCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)cn1	ZINC000440675546	560016128	/nfs/dbraw/zinc/01/61/28/560016128.db2.gz	QGGYWJHEKOBZRV-UHFFFAOYSA-N	-1	3	354.794	2.136	20	30		FEEDHM
N#Cc1ccc(CNCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)s1	ZINC000441387069	560030884	/nfs/dbraw/zinc/03/08/84/560030884.db2.gz	QHNLZYLZEZSZJK-UHFFFAOYSA-N	-1	3	373.862	2.480	20	30		FEEDHM
CC(C)n1cc2c(n1)C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)CC2	ZINC000443510335	560085807	/nfs/dbraw/zinc/08/58/07/560085807.db2.gz	NQACINZHECPXMD-HNNXBMFYSA-N	-1	3	362.430	2.311	20	30		FEEDHM
COc1cc([C@H](C#N)NC(=O)Cc2ccc([O-])c(F)c2)cc(OC)c1OC	ZINC000448842856	560202191	/nfs/dbraw/zinc/20/21/91/560202191.db2.gz	AQXSQRRPRKSBQF-AWEZNQCLSA-N	-1	3	374.368	2.481	20	30		FEEDHM
Cc1ccsc1[C@H](CO)[N-]S(=O)(=O)Cc1ccc(F)cc1C#N	ZINC000451283026	560298030	/nfs/dbraw/zinc/29/80/30/560298030.db2.gz	DZPMAPMBXSWIAP-AWEZNQCLSA-N	-1	3	354.428	2.220	20	30		FEEDHM
CC(C)(CC#N)CS(=O)(=O)[N-]Cc1noc(-c2ccccc2F)n1	ZINC000451475626	560309207	/nfs/dbraw/zinc/30/92/07/560309207.db2.gz	CNKRYPFTCAYOND-UHFFFAOYSA-N	-1	3	352.391	2.235	20	30		FEEDHM
COC(=O)[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl	ZINC000451834040	560331352	/nfs/dbraw/zinc/33/13/52/560331352.db2.gz	BMLHLDRSMMICJU-YPMHNXCESA-N	-1	3	356.831	2.222	20	30		FEEDHM
N#Cc1ccc(OCC[N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)cc1	ZINC000462414969	560809141	/nfs/dbraw/zinc/80/91/41/560809141.db2.gz	ZUEODEPNQOSZCR-UHFFFAOYSA-N	-1	3	356.325	2.333	20	30		FEEDHM
C[C@H](C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C)c1cccc(C#N)c1	ZINC000462457202	560810825	/nfs/dbraw/zinc/81/08/25/560810825.db2.gz	UJZZEIOICBWVLC-NSHDSACASA-N	-1	3	350.378	2.196	20	30		FEEDHM
CC(C)[C@@H](C#N)[N-]S(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1	ZINC000468916160	560942262	/nfs/dbraw/zinc/94/22/62/560942262.db2.gz	LNNRQZIMWNBBFS-CYBMUJFWSA-N	-1	3	371.528	2.279	20	30		FEEDHM
C=CCn1c(=O)[n-]nc1S[C@H](C)C(=O)NC(=O)Nc1ccccc1F	ZINC000470829172	560991029	/nfs/dbraw/zinc/99/10/29/560991029.db2.gz	BQOALBNXZVSZJU-SECBINFHSA-N	-1	3	365.390	2.138	20	30		FEEDHM
CCOC(=O)[C@H](Cc1ccccc1Cl)[N-]S(=O)(=O)CCCCC#N	ZINC000472733832	561033997	/nfs/dbraw/zinc/03/39/97/561033997.db2.gz	FHDSDLOIDAKXDM-HNNXBMFYSA-N	-1	3	372.874	2.427	20	30		FEEDHM
N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CCNC(=O)CC2CCCC2)c1	ZINC000475578965	561100357	/nfs/dbraw/zinc/10/03/57/561100357.db2.gz	FBTWUVCKTJNXQT-UHFFFAOYSA-N	-1	3	369.874	2.186	20	30		FEEDHM
N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](CO)Cc2ccc(F)cc2)c1	ZINC000476492838	561120866	/nfs/dbraw/zinc/12/08/66/561120866.db2.gz	OWOYYFBPKMUYCT-CQSZACIVSA-N	-1	3	368.817	2.233	20	30		FEEDHM
N#CCN1CCC[C@H](CNC(=O)c2cc([O-])cc(Br)c2)C1	ZINC000530263369	562404568	/nfs/dbraw/zinc/40/45/68/562404568.db2.gz	QHAKGXFVIKQOSP-LLVKDONJSA-N	-1	3	352.232	2.120	20	30		FEEDHM
CCCNc1ccc(C#N)cc1NC(=O)CNC(=O)c1ccc([O-])cc1	ZINC000531360228	562443362	/nfs/dbraw/zinc/44/33/62/562443362.db2.gz	RXGIVAADIHWNBL-UHFFFAOYSA-N	-1	3	352.394	2.454	20	30		FEEDHM
Cc1cc(C[N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)no1	ZINC000531490120	562447696	/nfs/dbraw/zinc/44/76/96/562447696.db2.gz	MDALWQZTVMQUMF-UHFFFAOYSA-N	-1	3	356.201	2.096	20	30		FEEDHM
COC(=O)[C@H]([N-]S(=O)(=O)Cc1cccc(C#N)c1)C1CCCCC1	ZINC000532297525	562473056	/nfs/dbraw/zinc/47/30/56/562473056.db2.gz	KHKZTNVNGSREBU-MRXNPFEDSA-N	-1	3	350.440	2.100	20	30		FEEDHM
N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CCc1ccc2c(c1)OCO2	ZINC000533096146	562498293	/nfs/dbraw/zinc/49/82/93/562498293.db2.gz	PNDNIQTUYKFCNH-UHFFFAOYSA-N	-1	3	364.810	2.461	20	30		FEEDHM
CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(-n3ccnn3)cc2)n1	ZINC000534839364	562543460	/nfs/dbraw/zinc/54/34/60/562543460.db2.gz	IFJQFLADIDPVJR-CYBMUJFWSA-N	-1	3	367.390	2.391	20	30		FEEDHM
CN(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)cn1C	ZINC000536992278	562583711	/nfs/dbraw/zinc/58/37/11/562583711.db2.gz	WXURFVCTTDPGGB-UHFFFAOYSA-N	-1	3	366.830	2.053	20	30		FEEDHM
Cc1cccc2[nH]c(C(C#N)=C([O-])c3ccc(=O)n(-c4cnn(C)c4)c3)nc21	ZINC000545489360	562628001	/nfs/dbraw/zinc/62/80/01/562628001.db2.gz	VLYHODSGNWMCOU-OAHLLOKOSA-N	-1	3	372.388	2.246	20	30		FEEDHM
N#CC1(NC(=O)c2cc(F)c[n-]c2=O)CCN(Cc2ccccc2)CC1	ZINC000602142482	567935712	/nfs/dbraw/zinc/93/57/12/567935712.db2.gz	KHKRGQQQTDVJFL-UHFFFAOYSA-N	-1	3	354.385	2.214	20	30		FEEDHM
CC[C@]1(C[N-]S(=O)(=O)c2cccnc2C#N)OCCc2ccccc21	ZINC000568566067	568045672	/nfs/dbraw/zinc/04/56/72/568045672.db2.gz	CASDHOQAAMKHAR-GOSISDBHSA-N	-1	3	357.435	2.110	20	30		FEEDHM
CC[C@H](C)C[C@@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C(=O)OC	ZINC000568624061	568100423	/nfs/dbraw/zinc/10/04/23/568100423.db2.gz	FSTCJQJDWBFCQG-GXFFZTMASA-N	-1	3	358.847	2.468	20	30		FEEDHM
CC(=O)Nc1ccc(O)c(C(C)=NNCc2ccc(-c3nn[n-]n3)cc2)c1	ZINC000819818850	607252496	/nfs/dbraw/zinc/25/24/96/607252496.db2.gz	WFDRXZWBVYXOSL-UHFFFAOYSA-N	-1	3	365.397	2.045	20	30		FEEDHM
Cc1nnc(-c2cccc(C#N)c2)n1CCOc1ccccc1-c1nnn[n-]1	ZINC000737524536	598825673	/nfs/dbraw/zinc/82/56/73/598825673.db2.gz	MSTKEAYNYHWCAF-UHFFFAOYSA-N	-1	3	372.392	2.384	20	30		FEEDHM
Cc1nnc(-c2cccc(C#N)c2)n1CCOc1ccccc1-c1nn[n-]n1	ZINC000737524536	598825675	/nfs/dbraw/zinc/82/56/75/598825675.db2.gz	MSTKEAYNYHWCAF-UHFFFAOYSA-N	-1	3	372.392	2.384	20	30		FEEDHM
Cc1nnc(-c2cccc(C#N)c2)n1CCOc1cccc(-c2nnn[n-]2)c1	ZINC000737524521	598826547	/nfs/dbraw/zinc/82/65/47/598826547.db2.gz	MMFNQZYZUQQPRE-UHFFFAOYSA-N	-1	3	372.392	2.384	20	30		FEEDHM
Cc1nnc(-c2cccc(C#N)c2)n1CCOc1cccc(-c2nn[n-]n2)c1	ZINC000737524521	598826548	/nfs/dbraw/zinc/82/65/48/598826548.db2.gz	MMFNQZYZUQQPRE-UHFFFAOYSA-N	-1	3	372.392	2.384	20	30		FEEDHM
N#Cc1ccc(NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)cc1-c1nnn[n-]1	ZINC000737716615	598914337	/nfs/dbraw/zinc/91/43/37/598914337.db2.gz	SRSHXZZVIXVCPB-FPYGCLRLSA-N	-1	3	361.321	2.298	20	30		FEEDHM
N#Cc1ccc(NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)cc1-c1nn[n-]n1	ZINC000737716615	598914339	/nfs/dbraw/zinc/91/43/39/598914339.db2.gz	SRSHXZZVIXVCPB-FPYGCLRLSA-N	-1	3	361.321	2.298	20	30		FEEDHM
COCCOc1ccccc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1	ZINC000737014007	598920631	/nfs/dbraw/zinc/92/06/31/598920631.db2.gz	DQYPLNZVMISLIC-UHFFFAOYSA-N	-1	3	364.365	2.016	20	30		FEEDHM
COCCOc1ccccc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1	ZINC000737014007	598920633	/nfs/dbraw/zinc/92/06/33/598920633.db2.gz	DQYPLNZVMISLIC-UHFFFAOYSA-N	-1	3	364.365	2.016	20	30		FEEDHM
N#Cc1cc(NC(=O)c2cccc(NC(=O)C3CC3)c2)ccc1-c1nnn[n-]1	ZINC000737708555	598926681	/nfs/dbraw/zinc/92/66/81/598926681.db2.gz	HBQDUYWKBHTONC-UHFFFAOYSA-N	-1	3	373.376	2.339	20	30		FEEDHM
N#Cc1cc(NC(=O)c2cccc(NC(=O)C3CC3)c2)ccc1-c1nn[n-]n1	ZINC000737708555	598926682	/nfs/dbraw/zinc/92/66/82/598926682.db2.gz	HBQDUYWKBHTONC-UHFFFAOYSA-N	-1	3	373.376	2.339	20	30		FEEDHM
N#Cc1cc(NC(=O)C2=NO[C@H](c3ccccc3)C2)ccc1-c1nnn[n-]1	ZINC000737705793	598926861	/nfs/dbraw/zinc/92/68/61/598926861.db2.gz	RFRAWQDKMMKPCO-INIZCTEOSA-N	-1	3	359.349	2.194	20	30		FEEDHM
N#Cc1cc(NC(=O)C2=NO[C@H](c3ccccc3)C2)ccc1-c1nn[n-]n1	ZINC000737705793	598926862	/nfs/dbraw/zinc/92/68/62/598926862.db2.gz	RFRAWQDKMMKPCO-INIZCTEOSA-N	-1	3	359.349	2.194	20	30		FEEDHM
C#CCOc1ccc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)cc1	ZINC000735380272	599071900	/nfs/dbraw/zinc/07/19/00/599071900.db2.gz	IAMBCAJFJAFLRZ-UHFFFAOYSA-N	-1	3	351.341	2.294	20	30		FEEDHM
C#CCOc1ccc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)cc1	ZINC000735380272	599071903	/nfs/dbraw/zinc/07/19/03/599071903.db2.gz	IAMBCAJFJAFLRZ-UHFFFAOYSA-N	-1	3	351.341	2.294	20	30		FEEDHM
COc1ccc(C=NNc2ccc(Br)nc2)cc1-c1nnn[n-]1	ZINC000737083296	599128985	/nfs/dbraw/zinc/12/89/85/599128985.db2.gz	OXSUWVLCPNXTOT-UHFFFAOYSA-N	-1	3	374.202	2.479	20	30		FEEDHM
COc1ccc(C=NNc2ccc(Br)nc2)cc1-c1nn[n-]n1	ZINC000737083296	599128987	/nfs/dbraw/zinc/12/89/87/599128987.db2.gz	OXSUWVLCPNXTOT-UHFFFAOYSA-N	-1	3	374.202	2.479	20	30		FEEDHM
N#Cc1cc(NC(=O)[C@H]2C[C@@]23CCOc2ccccc23)ccc1-c1nnn[n-]1	ZINC000737703973	599192285	/nfs/dbraw/zinc/19/22/85/599192285.db2.gz	GNKSYFMERXAJRY-OXQOHEQNSA-N	-1	3	372.388	2.417	20	30		FEEDHM
N#Cc1cc(NC(=O)[C@H]2C[C@@]23CCOc2ccccc23)ccc1-c1nn[n-]n1	ZINC000737703973	599192287	/nfs/dbraw/zinc/19/22/87/599192287.db2.gz	GNKSYFMERXAJRY-OXQOHEQNSA-N	-1	3	372.388	2.417	20	30		FEEDHM
C=CC[C@H](C)NC(=O)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1	ZINC000735409367	599213426	/nfs/dbraw/zinc/21/34/26/599213426.db2.gz	DKQVFUAVNLNYSR-AWEZNQCLSA-N	-1	3	355.446	2.053	20	30		FEEDHM
C=CC[C@H](C)NC(=O)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1	ZINC000735409367	599213427	/nfs/dbraw/zinc/21/34/27/599213427.db2.gz	DKQVFUAVNLNYSR-AWEZNQCLSA-N	-1	3	355.446	2.053	20	30		FEEDHM
N#Cc1c2[nH]c3ccccc3n2c(=O)cc1CN1CCC[C@H](CC(=O)[O-])C1	ZINC000819084404	597080519	/nfs/dbraw/zinc/08/05/19/597080519.db2.gz	POZNJNBNRQSGKZ-HIFRSBDPSA-N	-1	3	364.405	2.410	20	30		FEEDHM
N#CC1(C(=O)NC2CCN(c3ccccc3-c3nnn[n-]3)CC2)CCCC1	ZINC000737676138	599279858	/nfs/dbraw/zinc/27/98/58/599279858.db2.gz	UZZWRDZULILNIJ-UHFFFAOYSA-N	-1	3	365.441	2.036	20	30		FEEDHM
N#CC1(C(=O)NC2CCN(c3ccccc3-c3nn[n-]n3)CC2)CCCC1	ZINC000737676138	599279860	/nfs/dbraw/zinc/27/98/60/599279860.db2.gz	UZZWRDZULILNIJ-UHFFFAOYSA-N	-1	3	365.441	2.036	20	30		FEEDHM
N#Cc1cc(NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)ccc1F	ZINC000822823652	599280009	/nfs/dbraw/zinc/28/00/09/599280009.db2.gz	WRIDOCNPTRWDQP-UHFFFAOYSA-N	-1	3	355.308	2.338	20	30		FEEDHM
N#Cc1cc(NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)ccc1F	ZINC000822823652	599280010	/nfs/dbraw/zinc/28/00/10/599280010.db2.gz	WRIDOCNPTRWDQP-UHFFFAOYSA-N	-1	3	355.308	2.338	20	30		FEEDHM
C#CCN(C(=O)NCc1ccc(-c2nnn[n-]2)cc1F)C1CCCCC1	ZINC000735374895	598327421	/nfs/dbraw/zinc/32/74/21/598327421.db2.gz	OXBGUBOVZKCMSB-UHFFFAOYSA-N	-1	3	356.405	2.483	20	30		FEEDHM
C#CCN(C(=O)NCc1ccc(-c2nn[n-]n2)cc1F)C1CCCCC1	ZINC000735374895	598327423	/nfs/dbraw/zinc/32/74/23/598327423.db2.gz	OXBGUBOVZKCMSB-UHFFFAOYSA-N	-1	3	356.405	2.483	20	30		FEEDHM
CC[C@H](C#N)NC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1	ZINC000736310338	598331788	/nfs/dbraw/zinc/33/17/88/598331788.db2.gz	XUVWGWNVSSRQFR-LLVKDONJSA-N	-1	3	352.354	2.071	20	30		FEEDHM
CC[C@H](C#N)NC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1	ZINC000736310338	598331789	/nfs/dbraw/zinc/33/17/89/598331789.db2.gz	XUVWGWNVSSRQFR-LLVKDONJSA-N	-1	3	352.354	2.071	20	30		FEEDHM
N#Cc1nc(N)n(CCCOc2ccc3ccccc3c2)c1-c1nnn[n-]1	ZINC000737728884	598495368	/nfs/dbraw/zinc/49/53/68/598495368.db2.gz	XXKSXFKKOXIYJB-UHFFFAOYSA-N	-1	3	360.381	2.139	20	30		FEEDHM
N#Cc1nc(N)n(CCCOc2ccc3ccccc3c2)c1-c1nn[n-]n1	ZINC000737728884	598495370	/nfs/dbraw/zinc/49/53/70/598495370.db2.gz	XXKSXFKKOXIYJB-UHFFFAOYSA-N	-1	3	360.381	2.139	20	30		FEEDHM
C=C1CCN([C@H](C)C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)CC1	ZINC000735403449	598504617	/nfs/dbraw/zinc/50/46/17/598504617.db2.gz	WIIZCYYWFLBAAI-LLVKDONJSA-N	-1	3	358.471	2.396	20	30		FEEDHM
C=C1CCN([C@H](C)C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)CC1	ZINC000735403449	598504618	/nfs/dbraw/zinc/50/46/18/598504618.db2.gz	WIIZCYYWFLBAAI-LLVKDONJSA-N	-1	3	358.471	2.396	20	30		FEEDHM
Cc1cccc(N(CCC#N)S(=O)(=O)c2ccccc2-c2nnn[n-]2)c1	ZINC000737396800	598534903	/nfs/dbraw/zinc/53/49/03/598534903.db2.gz	RNBRGNTZQDVSNH-UHFFFAOYSA-N	-1	3	368.422	2.284	20	30		FEEDHM
Cc1cccc(N(CCC#N)S(=O)(=O)c2ccccc2-c2nn[n-]n2)c1	ZINC000737396800	598534905	/nfs/dbraw/zinc/53/49/05/598534905.db2.gz	RNBRGNTZQDVSNH-UHFFFAOYSA-N	-1	3	368.422	2.284	20	30		FEEDHM
CCC[C@@H](C#N)NC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1	ZINC000736416121	598549825	/nfs/dbraw/zinc/54/98/25/598549825.db2.gz	KVCSQHCJHYBAQZ-ZDUSSCGKSA-N	-1	3	366.381	2.461	20	30		FEEDHM
N#Cc1ccc(N2CCC[C@@H]2C(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1	ZINC000609521392	598576617	/nfs/dbraw/zinc/57/66/17/598576617.db2.gz	ZJXJRLHLLFXITC-GOSISDBHSA-N	-1	3	373.420	2.024	20	30		FEEDHM
N#Cc1ccc(N2CCC[C@@H]2C(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1	ZINC000609521392	598576619	/nfs/dbraw/zinc/57/66/19/598576619.db2.gz	ZJXJRLHLLFXITC-GOSISDBHSA-N	-1	3	373.420	2.024	20	30		FEEDHM
C[C@@H](NC(=O)Cc1ccc(OCC#N)cc1)c1ccc(-c2nnn[n-]2)cc1	ZINC000736110699	598649734	/nfs/dbraw/zinc/64/97/34/598649734.db2.gz	JWDNCILBRRMLKN-CYBMUJFWSA-N	-1	3	362.393	2.189	20	30		FEEDHM
C[C@@H](NC(=O)Cc1ccc(OCC#N)cc1)c1ccc(-c2nn[n-]n2)cc1	ZINC000736110699	598649735	/nfs/dbraw/zinc/64/97/35/598649735.db2.gz	JWDNCILBRRMLKN-CYBMUJFWSA-N	-1	3	362.393	2.189	20	30		FEEDHM
Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc(-c2nnn[n-]2)cn1	ZINC000737548316	598663019	/nfs/dbraw/zinc/66/30/19/598663019.db2.gz	NSXWQLLTKZMBKY-UHFFFAOYSA-N	-1	3	360.337	2.078	20	30		FEEDHM
Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc(-c2nn[n-]n2)cn1	ZINC000737548316	598663021	/nfs/dbraw/zinc/66/30/21/598663021.db2.gz	NSXWQLLTKZMBKY-UHFFFAOYSA-N	-1	3	360.337	2.078	20	30		FEEDHM
C[C@](C#N)(CCc1ccccc1)NC(=O)Cc1ccc(-c2nnn[n-]2)cc1	ZINC000735506100	598691601	/nfs/dbraw/zinc/69/16/01/598691601.db2.gz	ZFDDGDKUTGBHAG-HXUWFJFHSA-N	-1	3	360.421	2.440	20	30		FEEDHM
C[C@](C#N)(CCc1ccccc1)NC(=O)Cc1ccc(-c2nn[n-]n2)cc1	ZINC000735506100	598691603	/nfs/dbraw/zinc/69/16/03/598691603.db2.gz	ZFDDGDKUTGBHAG-HXUWFJFHSA-N	-1	3	360.421	2.440	20	30		FEEDHM
COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N(CCC#N)CCC(C)C	ZINC000737026497	598752944	/nfs/dbraw/zinc/75/29/44/598752944.db2.gz	WVMZCXKDBAMCTJ-UHFFFAOYSA-N	-1	3	372.429	2.042	20	30		FEEDHM
COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N(CCC#N)CCC(C)C	ZINC000737026497	598752945	/nfs/dbraw/zinc/75/29/45/598752945.db2.gz	WVMZCXKDBAMCTJ-UHFFFAOYSA-N	-1	3	372.429	2.042	20	30		FEEDHM
C=C(C)CNC(=S)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1	ZINC000735398434	598788662	/nfs/dbraw/zinc/78/86/62/598788662.db2.gz	HFHLFWJEGISILM-UHFFFAOYSA-N	-1	3	358.471	2.161	20	30		FEEDHM
C=C(C)CNC(=S)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1	ZINC000735398434	598788664	/nfs/dbraw/zinc/78/86/64/598788664.db2.gz	HFHLFWJEGISILM-UHFFFAOYSA-N	-1	3	358.471	2.161	20	30		FEEDHM
N#Cc1ccc(-n2nccc2NC(=O)c2cccc(-c3nnn[n-]3)c2)cc1	ZINC000737709754	598807848	/nfs/dbraw/zinc/80/78/48/598807848.db2.gz	NQFHCTWWTNHXRB-UHFFFAOYSA-N	-1	3	356.349	2.176	20	30		FEEDHM
N#Cc1ccc(-n2nccc2NC(=O)c2cccc(-c3nn[n-]n3)c2)cc1	ZINC000737709754	598807850	/nfs/dbraw/zinc/80/78/50/598807850.db2.gz	NQFHCTWWTNHXRB-UHFFFAOYSA-N	-1	3	356.349	2.176	20	30		FEEDHM
Brc1cnn(N=Cc2c[nH]c3ccc(-c4nnn[n-]4)cc23)c1	ZINC000823832475	607782986	/nfs/dbraw/zinc/78/29/86/607782986.db2.gz	PGPAFCQOOZWIQN-UHFFFAOYSA-N	-1	3	357.175	2.189	20	30		FEEDHM
Brc1cnn(N=Cc2c[nH]c3ccc(-c4nn[n-]n4)cc23)c1	ZINC000823832475	607782987	/nfs/dbraw/zinc/78/29/87/607782987.db2.gz	PGPAFCQOOZWIQN-UHFFFAOYSA-N	-1	3	357.175	2.189	20	30		FEEDHM
C[C@@H](Oc1ccccc1C#N)C(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1	ZINC000824756498	607420578	/nfs/dbraw/zinc/42/05/78/607420578.db2.gz	OHLCTNGEEBHYJZ-CYBMUJFWSA-N	-1	3	374.404	2.311	20	30		FEEDHM
C[C@@H](Oc1ccccc1C#N)C(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1	ZINC000824756498	607420579	/nfs/dbraw/zinc/42/05/79/607420579.db2.gz	OHLCTNGEEBHYJZ-CYBMUJFWSA-N	-1	3	374.404	2.311	20	30		FEEDHM
C=CCCCN(C)C(=O)C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1	ZINC000819739756	607437541	/nfs/dbraw/zinc/43/75/41/607437541.db2.gz	GIGGBRSUKQBYJQ-UHFFFAOYSA-N	-1	3	372.429	2.017	20	30		FEEDHM
C=CCCCN(C)C(=O)C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1	ZINC000819739756	607437543	/nfs/dbraw/zinc/43/75/43/607437543.db2.gz	GIGGBRSUKQBYJQ-UHFFFAOYSA-N	-1	3	372.429	2.017	20	30		FEEDHM
Cc1occc1C(=O)NC1CCN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CC1	ZINC000738986891	600567759	/nfs/dbraw/zinc/56/77/59/600567759.db2.gz	UYQHYWWIJJPEBD-GOSISDBHSA-N	-1	3	367.405	2.480	20	30		FEEDHM
Cc1nc(CN2CCCN([C@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)oc1C	ZINC000738858426	600570057	/nfs/dbraw/zinc/57/00/57/600570057.db2.gz	RNNXXBMEDWPINA-IBGZPJMESA-N	-1	3	368.437	2.497	20	30		FEEDHM
O=C1c2ccccc2S(=O)(=O)CC1=Cc1ccc(-c2nnn[n-]2)cc1F	ZINC000823504610	607457298	/nfs/dbraw/zinc/45/72/98/607457298.db2.gz	RVPWJIPDLOPFIA-KPKJPENVSA-N	-1	3	370.365	2.059	20	30		FEEDHM
O=C1c2ccccc2S(=O)(=O)CC1=Cc1ccc(-c2nn[n-]n2)cc1F	ZINC000823504610	607457299	/nfs/dbraw/zinc/45/72/99/607457299.db2.gz	RVPWJIPDLOPFIA-KPKJPENVSA-N	-1	3	370.365	2.059	20	30		FEEDHM
CC[C@](NCCS(=O)(=O)c1ccc(C#N)cc1)(C(=O)[O-])c1ccccc1	ZINC000828988951	601376557	/nfs/dbraw/zinc/37/65/57/601376557.db2.gz	LEBNSECZOBQPPV-LJQANCHMSA-N	-1	3	372.446	2.312	20	30		FEEDHM
C=CCn1c(SCC(=O)c2cccc(-c3nnn[n-]3)c2)nnc1C1CC1	ZINC000823937380	607655917	/nfs/dbraw/zinc/65/59/17/607655917.db2.gz	VILIHMOJABMECC-UHFFFAOYSA-N	-1	3	367.438	2.497	20	30		FEEDHM
C=CCn1c(SCC(=O)c2cccc(-c3nn[n-]n3)c2)nnc1C1CC1	ZINC000823937380	607655918	/nfs/dbraw/zinc/65/59/18/607655918.db2.gz	VILIHMOJABMECC-UHFFFAOYSA-N	-1	3	367.438	2.497	20	30		FEEDHM
C=CCN1CCC(NC(=O)N2CCC(CN(CC)C(=O)[O-])CC2)CC1	ZINC000823506258	604116958	/nfs/dbraw/zinc/11/69/58/604116958.db2.gz	FEDHJLDERHAYRV-UHFFFAOYSA-N	-1	3	352.479	2.058	20	30		FEEDHM
N#C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1cccc(C(F)(F)F)c1	ZINC000826379814	607735406	/nfs/dbraw/zinc/73/54/06/607735406.db2.gz	CLQGWSVHXCXLRZ-LBPRGKRZSA-N	-1	3	361.287	2.208	20	30		FEEDHM
N#C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1cccc(C(F)(F)F)c1	ZINC000826379814	607735407	/nfs/dbraw/zinc/73/54/07/607735407.db2.gz	CLQGWSVHXCXLRZ-LBPRGKRZSA-N	-1	3	361.287	2.208	20	30		FEEDHM
N#C[C@@H](c1ccccc1)N1CCN(Cc2cccc(-c3nn[n-]n3)c2)CC1	ZINC000822802201	606072680	/nfs/dbraw/zinc/07/26/80/606072680.db2.gz	WUBJGVHSULPART-IBGZPJMESA-N	-1	3	359.437	2.249	20	30		FEEDHM
CCN(CCC#N)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F	ZINC000821207953	606153378	/nfs/dbraw/zinc/15/33/78/606153378.db2.gz	ZONXDMPWJYLCGH-UHFFFAOYSA-N	-1	3	351.317	2.236	20	30		FEEDHM
CCN(CCC#N)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F	ZINC000821207953	606153381	/nfs/dbraw/zinc/15/33/81/606153381.db2.gz	ZONXDMPWJYLCGH-UHFFFAOYSA-N	-1	3	351.317	2.236	20	30		FEEDHM
Cc1ccc(C#N)cc1N[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O	ZINC000822225113	606248446	/nfs/dbraw/zinc/24/84/46/606248446.db2.gz	OVMDUIKVGWPLQB-INIZCTEOSA-N	-1	3	359.393	2.264	20	30		FEEDHM
Cc1ccc(C#N)cc1N[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O	ZINC000822225113	606248447	/nfs/dbraw/zinc/24/84/47/606248447.db2.gz	OVMDUIKVGWPLQB-INIZCTEOSA-N	-1	3	359.393	2.264	20	30		FEEDHM
N#C[C@H]1CCC[C@H]1NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1	ZINC000822802359	606301839	/nfs/dbraw/zinc/30/18/39/606301839.db2.gz	ZPUQREQSHJLHMJ-GDBMZVCRSA-N	-1	3	354.414	2.224	20	30		FEEDHM
N#C[C@H]1CCC[C@H]1NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1	ZINC000822802359	606301841	/nfs/dbraw/zinc/30/18/41/606301841.db2.gz	ZPUQREQSHJLHMJ-GDBMZVCRSA-N	-1	3	354.414	2.224	20	30		FEEDHM
O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1ccc2c(c1)NC(=O)CO2	ZINC000823542408	606390110	/nfs/dbraw/zinc/39/01/10/606390110.db2.gz	VWYBBPBZHUKOIQ-RQOWECAXSA-N	-1	3	353.363	2.155	20	30		FEEDHM
N#Cc1c2c(sc1NC(=O)Cc1cccc(-c3nnn[n-]3)c1)CCC2	ZINC000822819130	606489125	/nfs/dbraw/zinc/48/91/25/606489125.db2.gz	LJEWREYNIFIGLK-UHFFFAOYSA-N	-1	3	350.407	2.470	20	30		FEEDHM
N#Cc1c2c(sc1NC(=O)Cc1cccc(-c3nn[n-]n3)c1)CCC2	ZINC000822819130	606489126	/nfs/dbraw/zinc/48/91/26/606489126.db2.gz	LJEWREYNIFIGLK-UHFFFAOYSA-N	-1	3	350.407	2.470	20	30		FEEDHM
CC(=NOCc1ccc(-c2nnn[n-]2)cc1OC(F)F)c1cnn(C)c1	ZINC000819781979	606594322	/nfs/dbraw/zinc/59/43/22/606594322.db2.gz	GKXVLVVXKWEFFB-UHFFFAOYSA-N	-1	3	363.328	2.142	20	30		FEEDHM
CC(=NOCc1ccc(-c2nn[n-]n2)cc1OC(F)F)c1cnn(C)c1	ZINC000819781979	606594324	/nfs/dbraw/zinc/59/43/24/606594324.db2.gz	GKXVLVVXKWEFFB-UHFFFAOYSA-N	-1	3	363.328	2.142	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)Nc2cc(-c3nn[n-]n3)ccc2Cl)cc1	ZINC000822833528	606713038	/nfs/dbraw/zinc/71/30/38/606713038.db2.gz	QVRNZFRFHJDTCD-UHFFFAOYSA-N	-1	3	360.786	2.193	20	30		FEEDHM
N#Cc1cc(F)c(C(=O)OCCOc2ccccc2-c2nnn[n-]2)c(F)c1	ZINC000822819077	606759054	/nfs/dbraw/zinc/75/90/54/606759054.db2.gz	KDYSWJDCIGZKOK-UHFFFAOYSA-N	-1	3	371.303	2.252	20	30		FEEDHM
N#Cc1cc(F)c(C(=O)OCCOc2ccccc2-c2nn[n-]n2)c(F)c1	ZINC000822819077	606759056	/nfs/dbraw/zinc/75/90/56/606759056.db2.gz	KDYSWJDCIGZKOK-UHFFFAOYSA-N	-1	3	371.303	2.252	20	30		FEEDHM
N#Cc1cc(-c2nnn[n-]2)c(N)nc1SCc1cccc2nsnc21	ZINC000822818590	606980920	/nfs/dbraw/zinc/98/09/20/606980920.db2.gz	CWPSWUZNOJGAHM-UHFFFAOYSA-N	-1	3	367.423	2.013	20	30		FEEDHM
N#Cc1cc(-c2nn[n-]n2)c(N)nc1SCc1cccc2nsnc21	ZINC000822818590	606980921	/nfs/dbraw/zinc/98/09/21/606980921.db2.gz	CWPSWUZNOJGAHM-UHFFFAOYSA-N	-1	3	367.423	2.013	20	30		FEEDHM
CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cc(CC#N)ccn1	ZINC000820001479	607062936	/nfs/dbraw/zinc/06/29/36/607062936.db2.gz	OMMGOKZWMHOVBT-UHFFFAOYSA-N	-1	3	363.381	2.124	20	30		FEEDHM
CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cc(CC#N)ccn1	ZINC000820001479	607062938	/nfs/dbraw/zinc/06/29/38/607062938.db2.gz	OMMGOKZWMHOVBT-UHFFFAOYSA-N	-1	3	363.381	2.124	20	30		FEEDHM
CC(C)CCNC(=S)NN=Cc1c[nH]c2ccc(-c3nnn[n-]3)cc12	ZINC000820076488	607146211	/nfs/dbraw/zinc/14/62/11/607146211.db2.gz	JOJZOQGGOFEGAL-UHFFFAOYSA-N	-1	3	356.459	2.192	20	30		FEEDHM
CC(C)CCNC(=S)NN=Cc1c[nH]c2ccc(-c3nn[n-]n3)cc12	ZINC000820076488	607146213	/nfs/dbraw/zinc/14/62/13/607146213.db2.gz	JOJZOQGGOFEGAL-UHFFFAOYSA-N	-1	3	356.459	2.192	20	30		FEEDHM
N#Cc1ccc(NC(=O)COc2cccc(-c3nnn[n-]3)c2)c(Cl)c1	ZINC000822830057	607241832	/nfs/dbraw/zinc/24/18/32/607241832.db2.gz	SZEBJHMXWPUAJX-UHFFFAOYSA-N	-1	3	354.757	2.409	20	30		FEEDHM
N#Cc1ccc(NC(=O)COc2cccc(-c3nn[n-]n3)c2)c(Cl)c1	ZINC000822830057	607241833	/nfs/dbraw/zinc/24/18/33/607241833.db2.gz	SZEBJHMXWPUAJX-UHFFFAOYSA-N	-1	3	354.757	2.409	20	30		FEEDHM
CCn1nccc1C=CC(=O)c1cnn(-c2ccc(-c3nn[n-]n3)cc2)c1C	ZINC000825806936	607807839	/nfs/dbraw/zinc/80/78/39/607807839.db2.gz	KMWWXMHDHLXHTB-HJWRWDBZSA-N	-1	3	374.408	2.473	20	30		FEEDHM
CCCCCCCCNC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1	ZINC000825271544	607859804	/nfs/dbraw/zinc/85/98/04/607859804.db2.gz	KYGWSDHNLAXHDQ-UHFFFAOYSA-N	-1	3	362.409	2.421	20	30		FEEDHM
CCCCCCCCNC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1	ZINC000825271544	607859805	/nfs/dbraw/zinc/85/98/05/607859805.db2.gz	KYGWSDHNLAXHDQ-UHFFFAOYSA-N	-1	3	362.409	2.421	20	30		FEEDHM
CCC#C[C@H](C)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1	ZINC000825029352	607958171	/nfs/dbraw/zinc/95/81/71/607958171.db2.gz	QJVOMMASWJFDHL-ZDUSSCGKSA-N	-1	3	367.413	2.039	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=S)NC[C@@H]1CCCCO1	ZINC000823915324	607966284	/nfs/dbraw/zinc/96/62/84/607966284.db2.gz	UVYYQXGXGLWZCI-INIZCTEOSA-N	-1	3	372.498	2.298	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=S)NC[C@@H]1CCCCO1	ZINC000823915324	607966285	/nfs/dbraw/zinc/96/62/85/607966285.db2.gz	UVYYQXGXGLWZCI-INIZCTEOSA-N	-1	3	372.498	2.298	20	30		FEEDHM
N#Cc1cccc([C@@H]2CN(C(=O)c3sccc3-c3nnn[n-]3)CCO2)c1	ZINC000826386345	608081291	/nfs/dbraw/zinc/08/12/91/608081291.db2.gz	ALBMSLXWHAYDDP-AWEZNQCLSA-N	-1	3	366.406	2.014	20	30		FEEDHM
N#Cc1cccc([C@@H]2CN(C(=O)c3sccc3-c3nn[n-]n3)CCO2)c1	ZINC000826386345	608081292	/nfs/dbraw/zinc/08/12/92/608081292.db2.gz	ALBMSLXWHAYDDP-AWEZNQCLSA-N	-1	3	366.406	2.014	20	30		FEEDHM
Cc1oc(NC(=O)[C@@H](C)N2CCC[C@](C)(C#N)C2)c(-c2nnn[n-]2)c1C	ZINC000826341670	608126261	/nfs/dbraw/zinc/12/62/61/608126261.db2.gz	NDVWGFQBDOPPQN-PIGZYNQJSA-N	-1	3	357.418	2.029	20	30		FEEDHM
COCCOc1ccc(C#N)cc1NCc1ccc(-c2nnn[n-]2)s1	ZINC000826162626	608135740	/nfs/dbraw/zinc/13/57/40/608135740.db2.gz	KVONRGNXFUIWTN-UHFFFAOYSA-N	-1	3	356.411	2.437	20	30		FEEDHM
O=C(C#Cc1ccccc1)OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1	ZINC000826397181	608318050	/nfs/dbraw/zinc/31/80/50/608318050.db2.gz	WKJMORCZKDKIAG-UHFFFAOYSA-N	-1	3	372.344	2.012	20	30		FEEDHM
O=C(C#Cc1ccccc1)OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1	ZINC000826397181	608318052	/nfs/dbraw/zinc/31/80/52/608318052.db2.gz	WKJMORCZKDKIAG-UHFFFAOYSA-N	-1	3	372.344	2.012	20	30		FEEDHM
COc1cc(-c2nnn[n-]2)ccc1COC(=O)c1ccccc1OCC#N	ZINC000826172416	608349601	/nfs/dbraw/zinc/34/96/01/608349601.db2.gz	FCDHCNCRMXGXOR-UHFFFAOYSA-N	-1	3	365.349	2.135	20	30		FEEDHM
COc1cc(-c2nn[n-]n2)ccc1COC(=O)c1ccccc1OCC#N	ZINC000826172416	608349603	/nfs/dbraw/zinc/34/96/03/608349603.db2.gz	FCDHCNCRMXGXOR-UHFFFAOYSA-N	-1	3	365.349	2.135	20	30		FEEDHM
C[C@H](Oc1ccc(C#N)cc1)C(=O)OCc1cccc(-c2nnn[n-]2)c1F	ZINC000824738248	608437821	/nfs/dbraw/zinc/43/78/21/608437821.db2.gz	NUMUWIYHEIMANB-NSHDSACASA-N	-1	3	367.340	2.388	20	30		FEEDHM
C[C@H](Oc1ccc(C#N)cc1)C(=O)OCc1cccc(-c2nn[n-]n2)c1F	ZINC000824738248	608437822	/nfs/dbraw/zinc/43/78/22/608437822.db2.gz	NUMUWIYHEIMANB-NSHDSACASA-N	-1	3	367.340	2.388	20	30		FEEDHM
C=CC[C@H](CO)CNC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1	ZINC000823888232	608489156	/nfs/dbraw/zinc/48/91/56/608489156.db2.gz	HXNFTASBSYVPTF-VIFPVBQESA-N	-1	3	370.335	2.192	20	30		FEEDHM
C=CC[C@H](CO)CNC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1	ZINC000823888232	608489158	/nfs/dbraw/zinc/48/91/58/608489158.db2.gz	HXNFTASBSYVPTF-VIFPVBQESA-N	-1	3	370.335	2.192	20	30		FEEDHM
N#Cc1csc(CN2CCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)c1	ZINC000826387685	608502595	/nfs/dbraw/zinc/50/25/95/608502595.db2.gz	KSUIZQMEAITDGX-UHFFFAOYSA-N	-1	3	365.466	2.118	20	30		FEEDHM
C#CC[C@@H](NCC(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1)c1ccccc1	ZINC000823838669	608518941	/nfs/dbraw/zinc/51/89/41/608518941.db2.gz	SPLRPZCPUVQLQQ-OAHLLOKOSA-N	-1	3	364.409	2.369	20	30		FEEDHM
COc1ccc(O)c(C(C)N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)c1	ZINC000826210367	608537671	/nfs/dbraw/zinc/53/76/71/608537671.db2.gz	OKKWZEYFHYQAPB-UHFFFAOYSA-N	-1	3	359.777	2.465	20	30		FEEDHM
COc1ccc(O)c(C(C)N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)c1	ZINC000826210367	608537673	/nfs/dbraw/zinc/53/76/73/608537673.db2.gz	OKKWZEYFHYQAPB-UHFFFAOYSA-N	-1	3	359.777	2.465	20	30		FEEDHM
Clc1cc(-c2nnn[n-]2)cc([N-][NH+]=Cc2ccc(N3CCCC3)nc2)n1	ZINC000826350093	608541080	/nfs/dbraw/zinc/54/10/80/608541080.db2.gz	ICJZBFMCWMQVGE-UHFFFAOYSA-N	-1	3	369.820	2.356	20	30		FEEDHM
Clc1cc(-c2nn[n-]n2)cc([N-][NH+]=Cc2ccc(N3CCCC3)nc2)n1	ZINC000826350093	608541082	/nfs/dbraw/zinc/54/10/82/608541082.db2.gz	ICJZBFMCWMQVGE-UHFFFAOYSA-N	-1	3	369.820	2.356	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCC1(OC)CCC1	ZINC000823909428	609187312	/nfs/dbraw/zinc/18/73/12/609187312.db2.gz	DDBVBPJNHZLJKZ-UHFFFAOYSA-N	-1	3	356.430	2.133	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCC1(OC)CCC1	ZINC000823909428	609187313	/nfs/dbraw/zinc/18/73/13/609187313.db2.gz	DDBVBPJNHZLJKZ-UHFFFAOYSA-N	-1	3	356.430	2.133	20	30		FEEDHM
O=C(C=Cc1ccccc1-n1cncn1)c1ccc(-c2nnn[n-]2)cc1F	ZINC000826402086	609271176	/nfs/dbraw/zinc/27/11/76/609271176.db2.gz	MNWZCHAQURFMAK-SOFGYWHQSA-N	-1	3	361.340	2.483	20	30		FEEDHM
O=C(C=Cc1ccccc1-n1cncn1)c1ccc(-c2nn[n-]n2)cc1F	ZINC000826402086	609271177	/nfs/dbraw/zinc/27/11/77/609271177.db2.gz	MNWZCHAQURFMAK-SOFGYWHQSA-N	-1	3	361.340	2.483	20	30		FEEDHM
CC(C)CN(CCC#N)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl	ZINC000824255642	609544369	/nfs/dbraw/zinc/54/43/69/609544369.db2.gz	RIUUOGUEAMPFTI-UHFFFAOYSA-N	-1	3	368.850	2.080	20	30		FEEDHM
CC(C)CN(CCC#N)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl	ZINC000824255642	609544372	/nfs/dbraw/zinc/54/43/72/609544372.db2.gz	RIUUOGUEAMPFTI-UHFFFAOYSA-N	-1	3	368.850	2.080	20	30		FEEDHM
CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)OCc1ccccc1-c1nnn[n-]1	ZINC000824099833	609624724	/nfs/dbraw/zinc/62/47/24/609624724.db2.gz	JMNYELQEEJMVOR-GOSISDBHSA-N	-1	3	371.397	2.172	20	30		FEEDHM
CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)OCc1ccccc1-c1nn[n-]n1	ZINC000824099833	609624725	/nfs/dbraw/zinc/62/47/25/609624725.db2.gz	JMNYELQEEJMVOR-GOSISDBHSA-N	-1	3	371.397	2.172	20	30		FEEDHM
CN(C)[C@H](C[N-]S(=O)(=O)c1ccc(C#N)o1)c1ccc(Cl)cc1	ZINC000561511441	674673883	/nfs/dbraw/zinc/67/38/83/674673883.db2.gz	MVJIRDXFKFWUCQ-CQSZACIVSA-N	-1	3	353.831	2.386	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)OCC2(COC)CCC2)ccc1F	ZINC000812578844	674685901	/nfs/dbraw/zinc/68/59/01/674685901.db2.gz	WJVOECHUSUCWDH-UHFFFAOYSA-N	-1	3	371.430	2.264	20	30		FEEDHM
C#C[C@@H]([N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])c1ccc(F)cc1	ZINC000812525698	674682533	/nfs/dbraw/zinc/68/25/33/674682533.db2.gz	KGGMBXSOGBIJBV-CQSZACIVSA-N	-1	3	364.354	2.395	20	30		FEEDHM
C#C[C@@H](NC(=O)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F)C(C)(C)C	ZINC000813778152	674779992	/nfs/dbraw/zinc/77/99/92/674779992.db2.gz	QLNJVWYQWSDUMS-CYBMUJFWSA-N	-1	3	370.421	2.183	20	30		FEEDHM
COCc1nc(Cl)cc(NN=Cc2cc(OC)c([O-])cc2[N+](=O)[O-])n1	ZINC000814975680	674890981	/nfs/dbraw/zinc/89/09/81/674890981.db2.gz	PJNOOGNLGSXYPK-UHFFFAOYSA-N	-1	3	367.749	2.345	20	30		FEEDHM
N#CC1(CS(=O)(=O)[N-]c2ccc3c(c2)N(C(N)=O)CC3)CCCCC1	ZINC000571231022	670838677	/nfs/dbraw/zinc/83/86/77/670838677.db2.gz	UQHIYDHVGBDPEG-UHFFFAOYSA-N	-1	3	362.455	2.344	20	30		FEEDHM
CC(C)(C)[C@H]([N-]S(C)(=O)=O)C(=O)OC[C@H](C#N)Cc1ccc(F)cc1	ZINC000156874353	672251834	/nfs/dbraw/zinc/25/18/34/672251834.db2.gz	AAFBGRDFRWCJGK-DZGCQCFKSA-N	-1	3	370.446	2.015	20	30		FEEDHM
COc1ccccc1[C@H](CO)[N-]S(=O)(=O)c1cccc(Cl)c1C#N	ZINC000611021886	676011761	/nfs/dbraw/zinc/01/17/61/676011761.db2.gz	MHUKVBXJRZNPPS-AWEZNQCLSA-N	-1	3	366.826	2.232	20	30		FEEDHM
N#Cc1ccc(C(=O)Nc2cc(I)ccc2[O-])[nH]1	ZINC000611156566	676021668	/nfs/dbraw/zinc/02/16/68/676021668.db2.gz	LXKBDMKXHJGAIC-UHFFFAOYSA-N	-1	3	353.119	2.449	20	30		FEEDHM
N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H]1CC[C@@](O)(C(F)(F)F)C1	ZINC000589924452	672548403	/nfs/dbraw/zinc/54/84/03/672548403.db2.gz	XVNHVLRTHLETEB-PELKAZGASA-N	-1	3	368.764	2.336	20	30		FEEDHM
CC[C@H]([N-]S(=O)(=O)Cc1ccc(F)cc1C#N)C(=O)OC(C)(C)C	ZINC000592101466	672756573	/nfs/dbraw/zinc/75/65/73/672756573.db2.gz	XUCMYCAEWNKQAT-AWEZNQCLSA-N	-1	3	356.419	2.237	20	30		FEEDHM
C#CC[C@@H](COC)[N-]S(=O)(=O)c1cc(C)c(Br)s1	ZINC000716877713	673075916	/nfs/dbraw/zinc/07/59/16/673075916.db2.gz	GHMJSXOOVJCATD-VIFPVBQESA-N	-1	3	352.275	2.136	20	30		FEEDHM
CC(C)[N-]S(=O)(=O)c1cc(C(=O)N(CCC#N)C(C)C)ccc1F	ZINC000726532780	673128318	/nfs/dbraw/zinc/12/83/18/673128318.db2.gz	RHUCINCMMDSPQM-UHFFFAOYSA-N	-1	3	355.435	2.277	20	30		FEEDHM
N#CCC1(CS(=O)(=O)[N-]C[C@H](OC2CCCC2)C(F)(F)F)CC1	ZINC000594819732	673152276	/nfs/dbraw/zinc/15/22/76/673152276.db2.gz	VGOWFYKRHXSNDL-LBPRGKRZSA-N	-1	3	354.394	2.490	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)c1cc(Br)cc(C#N)c1)c1ccon1	ZINC000538271972	673430222	/nfs/dbraw/zinc/43/02/22/673430222.db2.gz	YABSVGMIGGYTPK-QMMMGPOBSA-N	-1	3	356.201	2.348	20	30		FEEDHM
CC[C@H](C)[C@H]1CCCCN1C(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000737587691	673571459	/nfs/dbraw/zinc/57/14/59/673571459.db2.gz	AOJQVSGWHCILHL-DZGCQCFKSA-N	-1	3	363.483	2.152	20	30		FEEDHM
CC(=O)Nc1nc(C)c(S(=O)(=O)[N-][C@@]2(C#N)CCC[C@@H](C)C2)s1	ZINC000614080219	676159561	/nfs/dbraw/zinc/15/95/61/676159561.db2.gz	HGKWABSUCBLJCL-OTYXRUKQSA-N	-1	3	356.473	2.161	20	30		FEEDHM
COc1cc(C=NN=c2cc[nH]c(N(C)C)n2)cc(Br)c1[O-]	ZINC000739412427	673631360	/nfs/dbraw/zinc/63/13/60/673631360.db2.gz	YUPHRWFCIJZEGY-UHFFFAOYSA-N	-1	3	366.219	2.465	20	30		FEEDHM
C[C@H](CC(=O)N(C)[C@H](C)C(C)(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000742522169	673729770	/nfs/dbraw/zinc/72/97/70/673729770.db2.gz	MSFVSNXLARKWLZ-CHWSQXEVSA-N	-1	3	365.499	2.397	20	30		FEEDHM
CCC1(CC)CN(C(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)C1	ZINC000818107442	675196602	/nfs/dbraw/zinc/19/66/02/675196602.db2.gz	BMKOQBQOXIIYQY-ZDUSSCGKSA-N	-1	3	363.483	2.152	20	30		FEEDHM
COC(=O)c1[n-]cnc1NC(=O)CSc1nc(C)c(C)c(C)c1C#N	ZINC000566569250	675225373	/nfs/dbraw/zinc/22/53/73/675225373.db2.gz	MOGADNCQRLTIAX-UHFFFAOYSA-N	-1	3	359.411	2.119	20	30		FEEDHM
COC(=O)c1nc[n-]c1NC(=O)CSc1nc(C)c(C)c(C)c1C#N	ZINC000566569250	675225375	/nfs/dbraw/zinc/22/53/75/675225375.db2.gz	MOGADNCQRLTIAX-UHFFFAOYSA-N	-1	3	359.411	2.119	20	30		FEEDHM
C[C@H](CC(=O)N1CC[C@@H](C)C[C@H]1C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000819683458	675308931	/nfs/dbraw/zinc/30/89/31/675308931.db2.gz	JYPKULCCAPQVTF-MGPQQGTHSA-N	-1	3	363.483	2.151	20	30		FEEDHM
O=C(N[C@H]1CCN([O-])C1=O)c1cc(Br)cc(C(F)(F)F)c1	ZINC000820148485	675339379	/nfs/dbraw/zinc/33/93/79/675339379.db2.gz	HCHLTFKEFRNWLP-VIFPVBQESA-N	-1	3	367.121	2.188	20	30		FEEDHM
O=C(CCc1nc2cc(C(F)(F)F)ccc2s1)N[C@@H]1CCN([O-])C1=O	ZINC000820156751	675340161	/nfs/dbraw/zinc/34/01/61/675340161.db2.gz	MTWSBMBVKVUYOQ-SECBINFHSA-N	-1	3	373.356	2.354	20	30		FEEDHM
C=CC[C@@H](CC)[N-]S(=O)(=O)c1cnn2cc(Br)cnc12	ZINC000641475335	677207369	/nfs/dbraw/zinc/20/73/69/677207369.db2.gz	ICAFLIDLUXZPAB-SNVBAGLBSA-N	-1	3	359.249	2.125	20	30		FEEDHM
C=CCOCCC[N-]S(=O)(=O)c1cc(Br)ccc1F	ZINC000657147763	677962454	/nfs/dbraw/zinc/96/24/54/677962454.db2.gz	GQHITTCRWNIFAN-UHFFFAOYSA-N	-1	3	352.225	2.459	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCC(F)(F)C2)ccc1F	ZINC000763833938	680793458	/nfs/dbraw/zinc/79/34/58/680793458.db2.gz	RTGWDGDTGKQSNB-LLVKDONJSA-N	-1	3	362.373	2.208	20	30		FEEDHM
C=C(Cl)C[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1	ZINC000765184231	680834181	/nfs/dbraw/zinc/83/41/81/680834181.db2.gz	HXJSQUGVSMLBGH-UHFFFAOYSA-N	-1	3	355.597	2.388	20	30		FEEDHM
Cc1ncc(CO)c(/C=N\CC(=O)Nc2ccc(F)c(F)c2F)c1[O-]	ZINC000747713171	679898013	/nfs/dbraw/zinc/89/80/13/679898013.db2.gz	PSIXEFNANABYSD-SDPNRITHSA-N	-1	3	353.300	2.063	20	30		FEEDHM
COC(=O)CCCN1CCC(N=Nc2ccc(C(=O)[O-])cc2F)CC1	ZINC000835012085	680286026	/nfs/dbraw/zinc/28/60/26/680286026.db2.gz	MUAAJFLTCNDMTE-UHFFFAOYSA-N	-1	3	351.378	2.341	20	30		FEEDHM
CC(C)[C@@H](CO)O[N-]C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1	ZINC000836499872	680477584	/nfs/dbraw/zinc/47/75/84/680477584.db2.gz	LEVUYYQIGVWHIZ-CQSZACIVSA-N	-1	3	363.805	2.467	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N(OC)C2CCCC2)ccc1F	ZINC000757632437	680528885	/nfs/dbraw/zinc/52/88/85/680528885.db2.gz	ZWOFFQHIXLEAOV-UHFFFAOYSA-N	-1	3	356.419	2.236	20	30		FEEDHM
CC(C)(C)C[C@H]1CCN(C(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)C1	ZINC000837163273	680562379	/nfs/dbraw/zinc/56/23/79/680562379.db2.gz	AAROFERCNNIHJE-CYBMUJFWSA-N	-1	3	363.483	2.010	20	30		FEEDHM
CC(C)[C@@]1(C)C[C@H]1NC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000838043728	680670290	/nfs/dbraw/zinc/67/02/90/680670290.db2.gz	VLUNLSYOCZENEU-CDHAZOANSA-N	-1	3	363.483	2.055	20	30		FEEDHM
C[C@@H](CC(=O)N(C)C1CC(C)(C)C1)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000838150721	680676209	/nfs/dbraw/zinc/67/62/09/680676209.db2.gz	OVXFQNOPFIKOLZ-LBPRGKRZSA-N	-1	3	363.483	2.151	20	30		FEEDHM
COc1cc(C=NNC(=S)NCc2ccccc2)c([N+](=O)[O-])cc1[O-]	ZINC000767064805	680897866	/nfs/dbraw/zinc/89/78/66/680897866.db2.gz	VUYZNJURSROVNL-UHFFFAOYSA-N	-1	3	360.395	2.307	20	30		FEEDHM
C#C[C@H](C)N(C)C(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1	ZINC000769655815	680990582	/nfs/dbraw/zinc/99/05/82/680990582.db2.gz	JYMYDXNPBAZQBZ-LBPRGKRZSA-N	-1	3	357.435	2.432	20	30		FEEDHM
C#CC[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccccc1	ZINC000770131169	681006722	/nfs/dbraw/zinc/00/67/22/681006722.db2.gz	GVHZEJMRYMHPCD-MRXNPFEDSA-N	-1	3	358.419	2.258	20	30		FEEDHM
C#C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)[C@H]1CCCO1	ZINC000773048948	681122644	/nfs/dbraw/zinc/12/26/44/681122644.db2.gz	IXLYYTOJFWDDFM-NWDGAFQWSA-N	-1	3	351.321	2.304	20	30		FEEDHM
C#C[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Br)[C@H]1CCCO1	ZINC000773052098	681122858	/nfs/dbraw/zinc/12/28/58/681122858.db2.gz	OUPXBAODPZYUIK-NWDGAFQWSA-N	-1	3	362.220	2.047	20	30		FEEDHM
C=C(C)CO[N-]C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1	ZINC000846538834	681256188	/nfs/dbraw/zinc/25/61/88/681256188.db2.gz	ZWROMTDHHCUFMB-ZDUSSCGKSA-N	-1	3	358.485	2.081	20	30		FEEDHM
CSc1nc(NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)n[n-]1	ZINC000847408332	681375328	/nfs/dbraw/zinc/37/53/28/681375328.db2.gz	VWZCGABQCUSNTD-SNVBAGLBSA-N	-1	3	368.463	2.442	20	30		FEEDHM
COc1cc(C=NNc2cccc(S(C)(=O)=O)c2)c([N+](=O)[O-])cc1[O-]	ZINC000776261253	681377328	/nfs/dbraw/zinc/37/73/28/681377328.db2.gz	IRACTZDGIUEHAB-UHFFFAOYSA-N	-1	3	365.367	2.159	20	30		FEEDHM
CC(=O)NCc1ccc(C(=O)COC(=O)c2cc([O-])cc(C#N)c2)s1	ZINC000776278791	681378605	/nfs/dbraw/zinc/37/86/05/681378605.db2.gz	GOMPVOVHLLGXQC-UHFFFAOYSA-N	-1	3	358.375	2.001	20	30		FEEDHM
C[C@@H](CC(=O)N[C@H]1CCCN([O-])C1=O)c1ccc(Br)cc1	ZINC000848136808	681478638	/nfs/dbraw/zinc/47/86/38/681478638.db2.gz	RLLYOOQDNRERPZ-GWCFXTLKSA-N	-1	3	355.232	2.439	20	30		FEEDHM
CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)O[C@H](C#N)CC	ZINC000781136650	681904013	/nfs/dbraw/zinc/90/40/13/681904013.db2.gz	FCDWRCAHHRGYOL-JSGCOSHPSA-N	-1	3	363.439	2.129	20	30		FEEDHM
O=c1nc(C=N[O-])ccn1Cc1ccc(Br)c2cccnc12	ZINC000784049890	682196898	/nfs/dbraw/zinc/19/68/98/682196898.db2.gz	IFBYRIVWVCGOHH-UHFFFAOYSA-N	-1	3	359.183	2.410	20	30		FEEDHM
Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H]1CCc2cc(C#N)ccc21	ZINC000785398329	682294601	/nfs/dbraw/zinc/29/46/01/682294601.db2.gz	HUNSALABHHERET-CYBMUJFWSA-N	-1	3	350.831	2.219	20	30		FEEDHM
CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N[C@H]1C=CCC1	ZINC000855421540	682668566	/nfs/dbraw/zinc/66/85/66/682668566.db2.gz	OCVLTECTUZWMKL-ZFWWWQNUSA-N	-1	3	361.467	2.119	20	30		FEEDHM
C#CCO[N-]C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S	ZINC000855603057	682692474	/nfs/dbraw/zinc/69/24/74/682692474.db2.gz	KUWOQSZYQRWTIB-ZRDIBKRKSA-N	-1	3	366.489	2.411	20	30		FEEDHM
C=CCCO[N-]C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000856029377	682735968	/nfs/dbraw/zinc/73/59/68/682735968.db2.gz	LADTVJGEXRSKFU-UHFFFAOYSA-N	-1	3	352.456	2.028	20	30		FEEDHM
CCCC[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N(C)C1CCC1	ZINC000796683973	683185245	/nfs/dbraw/zinc/18/52/45/683185245.db2.gz	QWVFNIJLQVBKKR-OAHLLOKOSA-N	-1	3	363.483	2.295	20	30		FEEDHM
COc1ccc(NC(=O)C(C#N)=C([O-])c2cn(C3CC3)nn2)cc1Cl	ZINC000860473757	683248783	/nfs/dbraw/zinc/24/87/83/683248783.db2.gz	RLYZQEXEGAZVPC-NSHDSACASA-N	-1	3	359.773	2.236	20	30		FEEDHM
CC(=O)Nc1ccc(O)c(C(C)=N[N-]S(=O)(=O)Cc2ccccc2)c1	ZINC000920383558	683338222	/nfs/dbraw/zinc/33/82/22/683338222.db2.gz	LELYDODMQLGBLX-UHFFFAOYSA-N	-1	3	361.423	2.194	20	30		FEEDHM
C#CC[C@H](CCOC)[N-]S(=O)(=O)c1cc2nc(Cl)ncc2s1	ZINC000867568612	684316871	/nfs/dbraw/zinc/31/68/71/684316871.db2.gz	NIOKGKVREYOJBV-SECBINFHSA-N	-1	3	359.860	2.051	20	30		FEEDHM
C=C(Cl)C[C@@H]([N-]S(=O)(=O)c1sccc1OC)C(=O)OCC	ZINC000867592301	684324508	/nfs/dbraw/zinc/32/45/08/684324508.db2.gz	XYHQRRKSKSXONI-SECBINFHSA-N	-1	3	353.849	2.109	20	30		FEEDHM
C=CCCC(C)(C)C[N-]S(=O)(=O)c1cn(C)nc1Br	ZINC000867601282	684326857	/nfs/dbraw/zinc/32/68/57/684326857.db2.gz	KSAANYQSZVFLAO-UHFFFAOYSA-N	-1	3	350.282	2.453	20	30		FEEDHM
C=CCCS(=O)(=O)[N-][C@@H](C(=O)OC)c1cccc(C(F)(F)F)c1	ZINC000872544259	684975326	/nfs/dbraw/zinc/97/53/26/684975326.db2.gz	WTENWDRDTYUQSZ-GFCCVEGCSA-N	-1	3	351.346	2.415	20	30		FEEDHM
O=C(Nc1c(F)cc(F)cc1Br)N[C@@H]1CCCN([O-])C1=O	ZINC000879315241	686792998	/nfs/dbraw/zinc/79/29/98/686792998.db2.gz	HJFUTEGEKFMMIJ-SECBINFHSA-N	-1	3	364.146	2.229	20	30		FEEDHM
Cc1cc(=O)[n-]c(N2CCN(c3ccc(C#N)cc3Br)CC2)n1	ZINC000884704609	687907875	/nfs/dbraw/zinc/90/78/75/687907875.db2.gz	NBILMDBSZUWIEF-UHFFFAOYSA-N	-1	3	374.242	2.451	20	30		FEEDHM
N#Cc1ccc(NC(=S)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)cc1Cl	ZINC000899677856	690404154	/nfs/dbraw/zinc/40/41/54/690404154.db2.gz	IKFAPRMRZAGJBB-LBPRGKRZSA-N	-1	3	374.857	2.273	20	30		FEEDHM
C=CCOC[C@H](NCc1cc(Br)cc2c1OCC2)C(=O)[O-]	ZINC000901809232	690696776	/nfs/dbraw/zinc/69/67/76/690696776.db2.gz	PKPCKCMRWHMXRK-ZDUSSCGKSA-N	-1	3	356.216	2.129	20	30		FEEDHM
N#Cc1ccc(NC(=O)CCn2[n-]c(=O)c3ccccc3c2=O)cc1Cl	ZINC000008280577	539482478	/nfs/dbraw/zinc/48/24/78/539482478.db2.gz	JVUYOBLPHFVMSF-UHFFFAOYSA-N	-1	3	368.780	2.244	20	30		FEEDHM
C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccccc1[N-]S(C)(=O)=O	ZINC000024887154	539743661	/nfs/dbraw/zinc/74/36/61/539743661.db2.gz	BFYCFIQHSLWWNM-LBPRGKRZSA-N	-1	3	359.407	2.336	20	30		FEEDHM
C=CCNC(=O)c1cc(CN2C(=O)c3ccccc3C2=O)cc(C)c1[O-]	ZINC000031551633	539910732	/nfs/dbraw/zinc/91/07/32/539910732.db2.gz	DOXCDHNBCQYDAX-UHFFFAOYSA-N	-1	3	350.374	2.413	20	30		FEEDHM
C=CCN(CC=C)C(=O)c1cc(C2CC2)nc2c1c(=O)[n-]c(=O)n2CCC	ZINC000032033116	539925902	/nfs/dbraw/zinc/92/59/02/539925902.db2.gz	TZYCSOGOQODFAT-UHFFFAOYSA-N	-1	3	368.437	2.186	20	30		FEEDHM
C=CCN(CC=C)C(=O)c1cc(C(C)C)nc2c1c(=O)[n-]c(=O)n2CCC	ZINC000045169118	540205743	/nfs/dbraw/zinc/20/57/43/540205743.db2.gz	KVYGLOBGSNJUIA-UHFFFAOYSA-N	-1	3	370.453	2.432	20	30		FEEDHM
CCS(=O)(=O)[N-]c1ccc(NC(=O)N(C)C[C@H](C)C#N)cc1OC	ZINC000065801233	541262580	/nfs/dbraw/zinc/26/25/80/541262580.db2.gz	UANJFTAFXPVWIQ-LLVKDONJSA-N	-1	3	354.432	2.080	20	30		FEEDHM
Cc1nc([C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2)c2ccccc2)n[nH]1	ZINC000068460740	541595104	/nfs/dbraw/zinc/59/51/04/541595104.db2.gz	AQCIFFGSODAZNZ-MRXNPFEDSA-N	-1	3	353.407	2.053	20	30		FEEDHM
COc1ccc(COCC[N-]S(=O)(=O)c2ccc(C#N)cc2F)cc1	ZINC000093022880	542903763	/nfs/dbraw/zinc/90/37/63/542903763.db2.gz	CJZNZHVWUNIOOM-UHFFFAOYSA-N	-1	3	364.398	2.201	20	30		FEEDHM
CC(C)(C)CN(CCC#N)C(=O)CC[N-]S(=O)(=O)c1ccccc1F	ZINC000104626328	543136019	/nfs/dbraw/zinc/13/60/19/543136019.db2.gz	RYSBNJMSCNSWCU-UHFFFAOYSA-N	-1	3	369.462	2.282	20	30		FEEDHM
O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1ccc2c(c1)C(=O)[N-]C2=O	ZINC000104834423	543146621	/nfs/dbraw/zinc/14/66/21/543146621.db2.gz	ONQPTCIIUBUGHB-UHFFFAOYSA-N	-1	3	372.302	2.371	20	30		FEEDHM
N#CCCCCS(=O)(=O)[N-][C@H]1CCN(c2ccccc2Cl)C1=O	ZINC000111348013	543397985	/nfs/dbraw/zinc/39/79/85/543397985.db2.gz	MBEIHGIVMGFGFB-ZDUSSCGKSA-N	-1	3	355.847	2.059	20	30		FEEDHM
CCN(C[C@@H](C)C#N)C(=O)[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(C)C	ZINC000116574006	543610693	/nfs/dbraw/zinc/61/06/93/543610693.db2.gz	BJIDOFOQFHCRMO-BBRMVZONSA-N	-1	3	369.462	2.137	20	30		FEEDHM
C=CC[C@H](C)NC(=O)[C@H](CCSC)[N-]S(=O)(=O)c1ccccc1F	ZINC000116858480	543618226	/nfs/dbraw/zinc/61/82/26/543618226.db2.gz	MOGPZHMXOUDKEH-JSGCOSHPSA-N	-1	3	374.503	2.307	20	30		FEEDHM
C=CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1	ZINC000123066669	543740660	/nfs/dbraw/zinc/74/06/60/543740660.db2.gz	XNTHVYAKKIHQBX-CQSZACIVSA-N	-1	3	372.512	2.425	20	30		FEEDHM
C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(F)cc2C#N)C(=O)N1c1ccccc1	ZINC000122609469	543712969	/nfs/dbraw/zinc/71/29/69/543712969.db2.gz	PVZRHOGSHDSVFI-MLGOLLRUSA-N	-1	3	373.409	2.170	20	30		FEEDHM
CCOC(=O)[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2C#N)C1	ZINC000126850563	543959700	/nfs/dbraw/zinc/95/97/00/543959700.db2.gz	QFLQHPKZDMZHIT-MNOVXSKESA-N	-1	3	356.831	2.222	20	30		FEEDHM
C=CCCS(=O)(=O)[N-][C@@H](c1nc[nH]n1)c1cccc(C(F)(F)F)c1	ZINC000128308712	544044683	/nfs/dbraw/zinc/04/46/83/544044683.db2.gz	HKTDBMGNGCBXBD-GFCCVEGCSA-N	-1	3	360.361	2.408	20	30		FEEDHM
Cc1cc(Br)c(S(=O)(=O)[N-]CC#N)cc1Br	ZINC000129578897	544119120	/nfs/dbraw/zinc/11/91/20/544119120.db2.gz	YIEHYVKAIIHYRD-UHFFFAOYSA-N	-1	3	368.050	2.322	20	30		FEEDHM
COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@]1(C#N)CCC[C@H](C)C1	ZINC000130487557	544153121	/nfs/dbraw/zinc/15/31/21/544153121.db2.gz	XZGGFITZEQLFLY-MEDUHNTESA-N	-1	3	354.403	2.363	20	30		FEEDHM
C=CCOc1ccc(C(=O)NCC[N-]S(=O)(=O)c2cccs2)cc1	ZINC000133412155	544268391	/nfs/dbraw/zinc/26/83/91/544268391.db2.gz	OSTVOWKMZUZVOK-UHFFFAOYSA-N	-1	3	366.464	2.021	20	30		FEEDHM
C#C[C@H](C)Oc1ccc(COC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C)cc1	ZINC000802811536	674199609	/nfs/dbraw/zinc/19/96/09/674199609.db2.gz	JWFXHVQXUAMNJK-XJKSGUPXSA-N	-1	3	367.467	2.094	20	30		FEEDHM
Cc1noc(C)c1[C@@H](C)CNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C	ZINC000152948474	544714938	/nfs/dbraw/zinc/71/49/38/544714938.db2.gz	WVVJFFVBYGSJQL-JTQLQIEISA-N	-1	3	356.426	2.321	20	30		FEEDHM
N#CCC[C@H](NC(=O)C[N-]S(=O)(=O)c1cccs1)c1ccccc1	ZINC000153308091	544759577	/nfs/dbraw/zinc/75/95/77/544759577.db2.gz	HTNNHSJQKSUNIB-AWEZNQCLSA-N	-1	3	363.464	2.188	20	30		FEEDHM
Cc1ccc(CN(CCO)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1	ZINC000180981533	327710970	/nfs/dbraw/zinc/71/09/70/327710970.db2.gz	ICTMLZOOBKWIIP-UHFFFAOYSA-N	-1	3	367.449	2.126	20	30		FEEDHM
Cc1cccc(C[C@H](CO)[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c1	ZINC000188378494	328083571	/nfs/dbraw/zinc/08/35/71/328083571.db2.gz	PXZZUBRYGNDAMI-OAHLLOKOSA-N	-1	3	364.854	2.402	20	30		FEEDHM
Cc1cc(CCNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc(C)c1O	ZINC000188722239	328106543	/nfs/dbraw/zinc/10/65/43/328106543.db2.gz	WVEGENZAUJDEON-UHFFFAOYSA-N	-1	3	367.449	2.477	20	30		FEEDHM
N#Cc1ccc(C(=O)NCc2ccccc2CN2CCC[C@@H]2CO)cc1[O-]	ZINC000189198636	328134414	/nfs/dbraw/zinc/13/44/14/328134414.db2.gz	ZNMLTZMHWGOMHX-LJQANCHMSA-N	-1	3	365.433	2.151	20	30		FEEDHM
N#Cc1ccc(Br)c(CS(=O)(=O)c2nc(C3CC3)n[n-]2)c1	ZINC000191722599	328278817	/nfs/dbraw/zinc/27/88/17/328278817.db2.gz	XZGABTBTKPFTGV-UHFFFAOYSA-N	-1	3	367.228	2.290	20	30		FEEDHM
N#Cc1ccc(Br)c(CS(=O)(=O)c2nnc(C3CC3)[n-]2)c1	ZINC000191722599	328278819	/nfs/dbraw/zinc/27/88/19/328278819.db2.gz	XZGABTBTKPFTGV-UHFFFAOYSA-N	-1	3	367.228	2.290	20	30		FEEDHM
N#Cc1ccc(NC(=O)NCCNC(=O)c2ccc([O-])cc2)cc1Cl	ZINC000119556815	326174903	/nfs/dbraw/zinc/17/49/03/326174903.db2.gz	HVWRKJXTWFDEQO-UHFFFAOYSA-N	-1	3	358.785	2.469	20	30		FEEDHM
CSC1(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)CCOCC1	ZINC000122325488	326392486	/nfs/dbraw/zinc/39/24/86/326392486.db2.gz	OHKPACCVPJRSMN-UHFFFAOYSA-N	-1	3	360.888	2.402	20	30		FEEDHM
C[C@@H](CCc1cccn1C)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000122455260	326397430	/nfs/dbraw/zinc/39/74/30/326397430.db2.gz	CHOYNPLBJLVSEA-LBPRGKRZSA-N	-1	3	362.411	2.105	20	30		FEEDHM
CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(C#N)cc3F)ccc21	ZINC000135379322	326640318	/nfs/dbraw/zinc/64/03/18/326640318.db2.gz	ZXCJYLWTHYPKLD-UHFFFAOYSA-N	-1	3	359.382	2.407	20	30		FEEDHM
C[C@H]1CCCC[C@H]1OCC[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000156514834	326834277	/nfs/dbraw/zinc/83/42/77/326834277.db2.gz	GXZKJPNDQGIYQI-SWLSCSKDSA-N	-1	3	367.427	2.340	20	30		FEEDHM
CC(C)CC(=O)N1CCC([N-]S(=O)(=O)c2ccc(F)cc2C#N)CC1	ZINC000156799274	326844396	/nfs/dbraw/zinc/84/43/96/326844396.db2.gz	DACSZJVEBZRJBO-UHFFFAOYSA-N	-1	3	367.446	2.013	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)C[C@H](O)c1ccccc1	ZINC000161768236	327008650	/nfs/dbraw/zinc/00/86/50/327008650.db2.gz	WXDPXDCTSSRQTO-YJYMSZOUSA-N	-1	3	367.449	2.424	20	30		FEEDHM
COc1ccc(CCNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1F	ZINC000170847836	327102380	/nfs/dbraw/zinc/10/23/80/327102380.db2.gz	GPPIDPFCAGGDRC-UHFFFAOYSA-N	-1	3	371.412	2.303	20	30		FEEDHM
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCOc1ccc(C#N)cc1	ZINC000173536353	327264702	/nfs/dbraw/zinc/26/47/02/327264702.db2.gz	YRJCYSMXMIUNBM-UHFFFAOYSA-N	-1	3	361.379	2.132	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc(C2CCOCC2)[nH]n1	ZINC000266342917	329213312	/nfs/dbraw/zinc/21/33/12/329213312.db2.gz	WTWRMMGIFNBGDB-UHFFFAOYSA-N	-1	3	369.425	2.464	20	30		FEEDHM
CN(C)C(=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)C1	ZINC000274849851	329985955	/nfs/dbraw/zinc/98/59/55/329985955.db2.gz	HKFXQCYBBFHBCP-OLZOCXBDSA-N	-1	3	369.874	2.137	20	30		FEEDHM
CC(C)n1ncc2c1C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)s1)CC2	ZINC000367197056	330228473	/nfs/dbraw/zinc/22/84/73/330228473.db2.gz	VVWIWDIFFJUZPI-LBPRGKRZSA-N	-1	3	350.469	2.233	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)NCC(C)(C)CCC#N)ccc1F	ZINC000805280866	674328870	/nfs/dbraw/zinc/32/88/70/674328870.db2.gz	NXXGUYPUBKMEOC-UHFFFAOYSA-N	-1	3	367.446	2.350	20	30		FEEDHM
N#Cc1c(Cl)cccc1S(=O)(=O)[N-]Cc1ccc(-n2cncn2)cc1	ZINC000156540918	545634278	/nfs/dbraw/zinc/63/42/78/545634278.db2.gz	LGWAHRQBYRSFCW-UHFFFAOYSA-N	-1	3	373.825	2.271	20	30		FEEDHM
C=CCCOCC[N-]S(=O)(=O)c1cc(Br)ccc1F	ZINC000163408848	546144664	/nfs/dbraw/zinc/14/46/64/546144664.db2.gz	QYJZHOBGOYOLOY-UHFFFAOYSA-N	-1	3	352.225	2.459	20	30		FEEDHM
COC(=O)c1cc(S(=O)(=O)[N-][C@H](C)CC#N)c(Cl)cc1Cl	ZINC000175249982	546307779	/nfs/dbraw/zinc/30/77/79/546307779.db2.gz	CFUHGQKQFMJHCP-SSDOTTSWSA-N	-1	3	351.211	2.360	20	30		FEEDHM
COC1CCC(C)(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC1	ZINC000480415553	561208723	/nfs/dbraw/zinc/20/87/23/561208723.db2.gz	UADZCQMNKBHHEH-UHFFFAOYSA-N	-1	3	367.427	2.340	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)Cc1ccc(C#N)cc1F)C(=O)Nc1ccccc1	ZINC000481051031	561224014	/nfs/dbraw/zinc/22/40/14/561224014.db2.gz	NGMWQPYPSQZPIU-GFCCVEGCSA-N	-1	3	361.398	2.144	20	30		FEEDHM
CC1(C#N)CN(C(=O)c2c[n-]c3c(OC(F)(F)F)cccc3c2=O)C1	ZINC000482619990	561256840	/nfs/dbraw/zinc/25/68/40/561256840.db2.gz	YGSNQMJBKHKUEO-UHFFFAOYSA-N	-1	3	351.284	2.412	20	30		FEEDHM
CC(C)Cn1cnc(S(=O)(=O)[N-][C@]2(C#N)CCc3ccccc3C2)c1	ZINC000185147920	547940702	/nfs/dbraw/zinc/94/07/02/547940702.db2.gz	ZXMZHOCWAJGEDY-GOSISDBHSA-N	-1	3	358.467	2.269	20	30		FEEDHM
C=C[C@@](C)(CCOC)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1	ZINC000188995247	548292101	/nfs/dbraw/zinc/29/21/01/548292101.db2.gz	ZBQKOCLEBZKSIP-KRWDZBQOSA-N	-1	3	370.446	2.434	20	30		FEEDHM
N#CCCCC[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1	ZINC000264664610	549999857	/nfs/dbraw/zinc/99/98/57/549999857.db2.gz	NSSOMXPNQKJYCP-UHFFFAOYSA-N	-1	3	362.205	2.329	20	30		FEEDHM
CC(C)[C@H](C#N)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1	ZINC000264688184	549999900	/nfs/dbraw/zinc/99/99/00/549999900.db2.gz	ABDIXBJYMCDEGY-ZDUSSCGKSA-N	-1	3	355.435	2.180	20	30		FEEDHM
CCOC(=O)COc1ccc(CC/N=C/c2c([O-])c(C)ncc2CO)cc1	ZINC000266363861	550019457	/nfs/dbraw/zinc/01/94/57/550019457.db2.gz	SOAHIDMTXUDSFQ-SRZZPIQSSA-N	-1	3	372.421	2.191	20	30		FEEDHM
CC(C)[C@](C)(C#N)NC(=O)CN(Cc1ccccc1[O-])C[C@H]1CCCO1	ZINC000268090692	550037261	/nfs/dbraw/zinc/03/72/61/550037261.db2.gz	KOACMPKWKZSGME-XLIONFOSSA-N	-1	3	359.470	2.428	20	30		FEEDHM
C=C(Cl)C[N-]S(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1	ZINC000271253349	550358038	/nfs/dbraw/zinc/35/80/38/550358038.db2.gz	ILUCGWLYKKXCQY-UHFFFAOYSA-N	-1	3	364.920	2.484	20	30		FEEDHM
C=CCN(CCc1ccco1)C(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1	ZINC000272628203	550461540	/nfs/dbraw/zinc/46/15/40/550461540.db2.gz	MTCRUFNMQZFZFW-FQEVSTJZSA-N	-1	3	367.405	2.205	20	30		FEEDHM
CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H](CC)CC#N)cc1	ZINC000273811835	550512047	/nfs/dbraw/zinc/51/20/47/550512047.db2.gz	AWBYQFJDNSCYCW-CYBMUJFWSA-N	-1	3	373.500	2.199	20	30		FEEDHM
CCCCCCC[C@@]1(C)NC(=O)N([N-]C(=O)c2ccc(OC)nc2)C1=O	ZINC000278786929	550821978	/nfs/dbraw/zinc/82/19/78/550821978.db2.gz	MEHJBTFJLBRRCW-GOSISDBHSA-N	-1	3	362.430	2.406	20	30		FEEDHM
CC(C)(C#N)c1ccc(C(=O)NCCNC(=O)c2ccc([O-])cc2)cc1	ZINC000279840432	550934731	/nfs/dbraw/zinc/93/47/31/550934731.db2.gz	JNNBNZBDIMNWBV-UHFFFAOYSA-N	-1	3	351.406	2.353	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc([C@H]2CCCOC2)[nH]n1	ZINC000279891132	550940409	/nfs/dbraw/zinc/94/04/09/550940409.db2.gz	HOIYOXXLMWKTEU-ZDUSSCGKSA-N	-1	3	369.425	2.464	20	30		FEEDHM
C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cc(OC)c(OC)cc1F	ZINC000280497444	551000669	/nfs/dbraw/zinc/00/06/69/551000669.db2.gz	BRUCPEUCKCSYJE-BDJLRTHQSA-N	-1	3	359.419	2.102	20	30		FEEDHM
N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCO[C@@H]1c1cccnc1	ZINC000284971986	551680128	/nfs/dbraw/zinc/68/01/28/551680128.db2.gz	JXJBARMRAKYUCD-GOEBONIOSA-N	-1	3	363.826	2.415	20	30		FEEDHM
CC[C@@H]([N-]S(=O)(=O)c1cccnc1C#N)c1ccc(OC)c(OC)c1	ZINC000285312210	551736233	/nfs/dbraw/zinc/73/62/33/551736233.db2.gz	MWYILRGLMMDJJW-CYBMUJFWSA-N	-1	3	361.423	2.400	20	30		FEEDHM
N#Cc1c(Br)cccc1S(=O)(=O)[N-]C[C@@H]1CCCOC1	ZINC000286540862	551897797	/nfs/dbraw/zinc/89/77/97/551897797.db2.gz	GYWOZOYLOISPQW-JTQLQIEISA-N	-1	3	359.245	2.026	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCOC[C@@H]1CC(F)F	ZINC000286790376	551926251	/nfs/dbraw/zinc/92/62/51/551926251.db2.gz	TWQFYXSCCVLRSA-LBPRGKRZSA-N	-1	3	353.369	2.091	20	30		FEEDHM
CN(C)C[C@H]([N-]S(=O)(=O)c1ccc(C#N)o1)c1ccc(Cl)cc1	ZINC000287375090	551995995	/nfs/dbraw/zinc/99/59/95/551995995.db2.gz	NDLHLUMGJJGPAY-AWEZNQCLSA-N	-1	3	353.831	2.386	20	30		FEEDHM
C=CCN(CCC#N)C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1	ZINC000291866805	552669945	/nfs/dbraw/zinc/66/99/45/552669945.db2.gz	WICUKSNQBHQSLV-UHFFFAOYSA-N	-1	3	366.443	2.390	20	30		FEEDHM
Cn1cc(C(=O)C(C(=S)[N-]C2CCC2)[n+]2cc([O-])cc(Cl)c2)cn1	ZINC000292259235	552709944	/nfs/dbraw/zinc/70/99/44/552709944.db2.gz	FLKUZDQUMFUKEZ-UHFFFAOYSA-O	-1	3	365.866	2.148	20	30		FEEDHM
COC(=O)[C@H](CC(C)C)N(C)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C	ZINC000293543810	552833943	/nfs/dbraw/zinc/83/39/43/552833943.db2.gz	AWZOIBJKOXVDEH-INIZCTEOSA-N	-1	3	361.442	2.254	20	30		FEEDHM
CO[C@@H](C[N-]S(=O)(=O)c1cccc(Br)c1C#N)C1CC1	ZINC000293875406	552864453	/nfs/dbraw/zinc/86/44/53/552864453.db2.gz	SYAIVEUYKCELNH-LBPRGKRZSA-N	-1	3	359.245	2.024	20	30		FEEDHM
COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CC[C@@H](CC#N)C1	ZINC000295826017	553064363	/nfs/dbraw/zinc/06/43/63/553064363.db2.gz	VGKNLKCONYYAMC-JQWIXIFHSA-N	-1	3	356.831	2.487	20	30		FEEDHM
COCC[C@H]([N-]S(=O)(=O)Cc1cc(C#N)ccc1F)c1ccco1	ZINC000503710221	561647444	/nfs/dbraw/zinc/64/74/44/561647444.db2.gz	WVRMUWHIKYBSNF-HNNXBMFYSA-N	-1	3	352.387	2.488	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-][C@@H](CO)Cc2ccc(F)cc2)c(Cl)c1	ZINC000503859738	561649140	/nfs/dbraw/zinc/64/91/40/561649140.db2.gz	VAGJKEJHXHLFNE-CQSZACIVSA-N	-1	3	368.817	2.233	20	30		FEEDHM
COc1ccc(C(=O)N2CCN(C)CC2)cc1/N=C/c1cccc([O-])c1O	ZINC000299311433	553546047	/nfs/dbraw/zinc/54/60/47/553546047.db2.gz	VOAUKUGOOGJLMP-FYJGNVAPSA-N	-1	3	369.421	2.245	20	30		FEEDHM
O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCC(C(=O)Nc2cccc(F)c2)CC1	ZINC000328997680	553861514	/nfs/dbraw/zinc/86/15/14/553861514.db2.gz	UVLDEWSMMGFBCE-ZDUSSCGKSA-N	-1	3	362.361	2.295	20	30		FEEDHM
Cc1ncsc1[N-]C(=O)c1sccc1S(=O)(=O)N1CCOCC1	ZINC000329550781	553966380	/nfs/dbraw/zinc/96/63/80/553966380.db2.gz	FPYJUORWOKYFNZ-UHFFFAOYSA-N	-1	3	373.481	2.170	20	30		FEEDHM
CSCC[C@@](C)(C#N)[N-]S(=O)(=O)c1cnccc1C(F)(F)F	ZINC000508087001	561751010	/nfs/dbraw/zinc/75/10/10/561751010.db2.gz	FCDCTJZNNRPZJL-NSHDSACASA-N	-1	3	353.391	2.414	20	30		FEEDHM
CC(C)[C@](C)(O)C[N-]S(=O)(=O)c1cccc(Br)c1C#N	ZINC000330665855	554153336	/nfs/dbraw/zinc/15/33/36/554153336.db2.gz	HJGCCKOXILLZKR-CYBMUJFWSA-N	-1	3	361.261	2.006	20	30		FEEDHM
Cc1ccc(C(=O)NCCC(=O)N2CCC[C@@](O)(C(F)(F)F)C2)c([O-])c1	ZINC000331230227	554234306	/nfs/dbraw/zinc/23/43/06/554234306.db2.gz	HRSYUXJNAMVMMX-INIZCTEOSA-N	-1	3	374.359	2.311	20	30		FEEDHM
C[C@H]1C[C@@H](NC(=O)N=c2[n-]n(C)cc2C#N)CCN1Cc1ccccc1	ZINC000610572110	554531830	/nfs/dbraw/zinc/53/18/30/554531830.db2.gz	CCTDQOKPANOKDJ-YOEHRIQHSA-N	-1	3	352.442	2.466	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)c1cccnc1C#N)c1ccc(-c2cncnc2)cc1	ZINC000364348932	555296484	/nfs/dbraw/zinc/29/64/84/555296484.db2.gz	BDEHQWIENKMKIB-ZDUSSCGKSA-N	-1	3	365.418	2.450	20	30		FEEDHM
C[C@@H](C[N-]S(=O)(=O)c1cccnc1C#N)c1nc(-c2ccccc2)no1	ZINC000365402775	555565575	/nfs/dbraw/zinc/56/55/75/555565575.db2.gz	DAEXBTIXZYTNAK-LBPRGKRZSA-N	-1	3	369.406	2.085	20	30		FEEDHM
N#Cc1ncn(C2CCN(C(=O)c3cc([O-])ccc3C(F)(F)F)CC2)n1	ZINC000369146408	556516387	/nfs/dbraw/zinc/51/63/87/556516387.db2.gz	AKLNQHMLAYIXBG-UHFFFAOYSA-N	-1	3	365.315	2.351	20	30		FEEDHM
CSCC[C@](C)(C#N)[N-]S(=O)(=O)c1cccnc1C(F)(F)F	ZINC000515909485	562025341	/nfs/dbraw/zinc/02/53/41/562025341.db2.gz	WANWMCVIFRLLEY-LLVKDONJSA-N	-1	3	353.391	2.414	20	30		FEEDHM
CS(=O)(=O)[N-]c1c[nH]nc1[C@H]1CCCN(Cc2ccccc2C#N)C1	ZINC000373126334	557634136	/nfs/dbraw/zinc/63/41/36/557634136.db2.gz	UHVLJJQPYAQMLR-HNNXBMFYSA-N	-1	3	359.455	2.032	20	30		FEEDHM
N#CC(=C([O-])c1c[nH]c(C(=O)N2CCCC2)c1)c1nnc2n1CCCCC2	ZINC000519899491	562147441	/nfs/dbraw/zinc/14/74/41/562147441.db2.gz	LVKBKFFAYZYPHN-AWEZNQCLSA-N	-1	3	366.425	2.059	20	30		FEEDHM
Cn1cc([C@H]([N-]S(=O)(=O)c2ccccc2C#N)c2ccccc2)cn1	ZINC000376355758	558162412	/nfs/dbraw/zinc/16/24/12/558162412.db2.gz	TYZIMCCTEYVWBY-GOSISDBHSA-N	-1	3	352.419	2.360	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-][C@@H](c1ccccc1)c1ccccn1	ZINC000376981590	558247736	/nfs/dbraw/zinc/24/77/36/558247736.db2.gz	IXDWKEUANODGPI-SFHVURJKSA-N	-1	3	350.403	2.416	20	30		FEEDHM
N#CCc1ccc(C(=O)N2CC(S(=O)(=O)[N-]c3ccccc3)C2)cc1	ZINC000377246141	558297427	/nfs/dbraw/zinc/29/74/27/558297427.db2.gz	RGBIBPUXKXRYOF-UHFFFAOYSA-N	-1	3	355.419	2.019	20	30		FEEDHM
C[C@H]1Cc2ccccc2N1CC[N-]S(=O)(=O)c1ccc(C#N)cc1F	ZINC000523573041	562215625	/nfs/dbraw/zinc/21/56/25/562215625.db2.gz	LQEMZZSGWPPHAY-ZDUSSCGKSA-N	-1	3	359.426	2.427	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)CC1(C#N)CCCCC1)C(=O)N1CCCC[C@@H]1C	ZINC000408229312	558658855	/nfs/dbraw/zinc/65/88/55/558658855.db2.gz	PRMIVNYNBOAEMW-LSDHHAIUSA-N	-1	3	355.504	2.169	20	30		FEEDHM
CCN(CCC#N)S(=O)(=O)[N-][C@H](C(=O)OC(C)(C)C)c1ccccc1	ZINC000409481557	558696002	/nfs/dbraw/zinc/69/60/02/558696002.db2.gz	BORFVSMQJDXXCM-HNNXBMFYSA-N	-1	3	367.471	2.139	20	30		FEEDHM
CC1(C)OC[C@@H]2C[C@@]21[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000528491871	562332153	/nfs/dbraw/zinc/33/21/53/562332153.db2.gz	FSDNVFOZOYYIJL-IINYFYTJSA-N	-1	3	360.357	2.423	20	30		FEEDHM
Cc1cc([N-]S(=O)(=O)c2ccc(C#N)nc2)ccc1OCCN(C)C	ZINC000414387334	559160452	/nfs/dbraw/zinc/16/04/52/559160452.db2.gz	IVSJZPWPSGMPLB-UHFFFAOYSA-N	-1	3	360.439	2.003	20	30		FEEDHM
COCCCCC[N-]S(=O)(=O)c1cc(Br)ccc1C#N	ZINC000416386264	559309298	/nfs/dbraw/zinc/30/92/98/559309298.db2.gz	RIUJPKQRCXFSOD-UHFFFAOYSA-N	-1	3	361.261	2.416	20	30		FEEDHM
N#Cc1ccc(Br)cc1S(=O)(=O)[N-]C[C@H]1CCC[C@@H](O)C1	ZINC000416407426	559310688	/nfs/dbraw/zinc/31/06/88/559310688.db2.gz	KEVXGORXGNRWED-GXFFZTMASA-N	-1	3	373.272	2.150	20	30		FEEDHM
CC(C)n1ncnc1C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000416482459	559316492	/nfs/dbraw/zinc/31/64/92/559316492.db2.gz	GILFTZLWHUSKKZ-UHFFFAOYSA-N	-1	3	373.360	2.228	20	30		FEEDHM
C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Br)ccc2C#N)CS1	ZINC000416602902	559324521	/nfs/dbraw/zinc/32/45/21/559324521.db2.gz	XNTWTROULUQMOV-LDYMZIIASA-N	-1	3	361.286	2.493	20	30		FEEDHM
COC1([C@H](C)[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)CCOCC1	ZINC000420755111	559502613	/nfs/dbraw/zinc/50/26/13/559502613.db2.gz	BNRXJGJVOOBOLY-NSHDSACASA-N	-1	3	358.847	2.074	20	30		FEEDHM
C=CCn1cccc1C(=O)NC[C@@H](Cc1ccc([O-])c(F)c1)C(=O)OC	ZINC000422033827	559561858	/nfs/dbraw/zinc/56/18/58/559561858.db2.gz	CQPRSKLUMKANDE-CQSZACIVSA-N	-1	3	360.385	2.281	20	30		FEEDHM
COC(=O)[C@H](CNC(=O)c1cc(C#N)oc1C)Cc1ccc([O-])c(F)c1	ZINC000422035166	559562036	/nfs/dbraw/zinc/56/20/36/559562036.db2.gz	GNAMCPYAXGCYCZ-LBPRGKRZSA-N	-1	3	360.341	2.066	20	30		FEEDHM
C=CCn1cc(C[N-]S(=O)(=O)Cc2ccccc2C(F)(F)F)nn1	ZINC000425180958	559689814	/nfs/dbraw/zinc/68/98/14/559689814.db2.gz	UYHACZOEQVPDQC-UHFFFAOYSA-N	-1	3	360.361	2.103	20	30		FEEDHM
CNc1ccc(C#N)cc1[N-]S(=O)(=O)CC1(C(=O)OC)CCCCC1	ZINC000427312340	559752996	/nfs/dbraw/zinc/75/29/96/559752996.db2.gz	GBPWRHNESNMPSS-UHFFFAOYSA-N	-1	3	365.455	2.465	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-]Cc1ccc(OC(F)(F)F)cc1	ZINC000428249256	559772230	/nfs/dbraw/zinc/77/22/30/559772230.db2.gz	UWGPUDDORJOJRM-UHFFFAOYSA-N	-1	3	357.313	2.330	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-]Cc1ccc(OCC(F)(F)F)cc1	ZINC000428260136	559772338	/nfs/dbraw/zinc/77/23/38/559772338.db2.gz	KQRZSNHWOLCLAJ-UHFFFAOYSA-N	-1	3	371.340	2.373	20	30		FEEDHM
Cc1ccccc1[C@@H]([C@@H](C)[N-]S(=O)(=O)c1cccnc1C#N)N(C)C	ZINC000428398560	559774737	/nfs/dbraw/zinc/77/47/37/559774737.db2.gz	GAHFDQIQZPFKHD-RDTXWAMCSA-N	-1	3	358.467	2.231	20	30		FEEDHM
C[C@@H](Cc1nc2ccccc2s1)[N-]S(=O)(=O)c1cccnc1C#N	ZINC000428401126	559774800	/nfs/dbraw/zinc/77/48/00/559774800.db2.gz	PAJLTOUARATHOX-NSHDSACASA-N	-1	3	358.448	2.472	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)c1ccccc1C#N)c1ncc(Br)cn1	ZINC000431625253	559842842	/nfs/dbraw/zinc/84/28/42/559842842.db2.gz	OEEATEFVTWAKHN-VIFPVBQESA-N	-1	3	367.228	2.150	20	30		FEEDHM
COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@@H](C)C#N)c2)cc1	ZINC000432346709	559856924	/nfs/dbraw/zinc/85/69/24/559856924.db2.gz	KCQAKNXHDZVRFP-ZDUSSCGKSA-N	-1	3	373.434	2.446	20	30		FEEDHM
CCC[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N)C(=O)OCC	ZINC000433472833	559882666	/nfs/dbraw/zinc/88/26/66/559882666.db2.gz	XUYNELGEPKIJKY-NSHDSACASA-N	-1	3	358.847	2.469	20	30		FEEDHM
CCC1CCC([N-]S(=O)(=O)Cc2cccc(C#N)c2)(C(=O)OC)CC1	ZINC000433755468	559887438	/nfs/dbraw/zinc/88/74/38/559887438.db2.gz	GPAXYNGFGZEEHL-UHFFFAOYSA-N	-1	3	364.467	2.490	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CCCC(C)(C)[C@H]1C#N	ZINC000434433176	559900282	/nfs/dbraw/zinc/90/02/82/559900282.db2.gz	PRYFQJYKDHDDJK-SWLSCSKDSA-N	-1	3	367.446	2.033	20	30		FEEDHM
COC(=O)[C@H](C[N-]S(=O)(=O)CC1(C#N)CCCC1)c1ccc(F)cc1	ZINC000434773655	559909010	/nfs/dbraw/zinc/90/90/10/559909010.db2.gz	KEKDEGHSURCSGR-OAHLLOKOSA-N	-1	3	368.430	2.086	20	30		FEEDHM
Cc1cc(C)c(NC(=O)C[N-]S(=O)(=O)c2ccc(C#N)s2)c(C)c1	ZINC000435435553	559922962	/nfs/dbraw/zinc/92/29/62/559922962.db2.gz	YMZXVRPPLRWOAP-UHFFFAOYSA-N	-1	3	363.464	2.462	20	30		FEEDHM
COc1cccc(OCCC[N-]S(=O)(=O)c2ccc(C#N)s2)c1	ZINC000435435508	559922980	/nfs/dbraw/zinc/92/29/80/559922980.db2.gz	BPAFWLRANNQLEZ-UHFFFAOYSA-N	-1	3	352.437	2.376	20	30		FEEDHM
CC(C)n1cc2c(n1)C[C@H]([N-]S(=O)(=O)c1ccc(C#N)s1)CC2	ZINC000435443057	559923406	/nfs/dbraw/zinc/92/34/06/559923406.db2.gz	OLDJCFQPBXZQBD-GFCCVEGCSA-N	-1	3	350.469	2.233	20	30		FEEDHM
C=C(C)[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(F)ccc1OCCOC	ZINC000435588725	559925660	/nfs/dbraw/zinc/92/56/60/559925660.db2.gz	ODBYUKOJYZLAHW-GUYCJALGSA-N	-1	3	373.446	2.110	20	30		FEEDHM
CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N(CC)C[C@@H](C)C#N	ZINC000437388859	559963973	/nfs/dbraw/zinc/96/39/73/559963973.db2.gz	RTJQGCWGSKPPPJ-JTQLQIEISA-N	-1	3	351.428	2.180	20	30		FEEDHM
CCCc1c([N-]S(=O)(=O)N2CCCC2)cnn1-c1cccc(C#N)c1	ZINC000438841012	559984347	/nfs/dbraw/zinc/98/43/47/559984347.db2.gz	KHKZSQTUQSJFHC-UHFFFAOYSA-N	-1	3	359.455	2.449	20	30		FEEDHM
N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CCCO[C@H]1CCCCO1	ZINC000439199712	559990045	/nfs/dbraw/zinc/99/00/45/559990045.db2.gz	MZBUYVUTLRXDIF-HNNXBMFYSA-N	-1	3	358.847	2.423	20	30		FEEDHM
N#Cc1cccc(CNCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)c1	ZINC000441326334	560028644	/nfs/dbraw/zinc/02/86/44/560028644.db2.gz	FAFBJNMWHJIWDA-UHFFFAOYSA-N	-1	3	367.833	2.419	20	30		FEEDHM
C=CCN(CC=C)[C@@H](CNC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1)C(C)C	ZINC000441867321	560040136	/nfs/dbraw/zinc/04/01/36/560040136.db2.gz	CVQUSYFTYODHIV-KRWDZBQOSA-N	-1	3	370.453	2.458	20	30		FEEDHM
CN(C)CCOc1ccc(CCNC(=O)c2ccc(C#N)c([O-])c2)cc1	ZINC000442956047	560063696	/nfs/dbraw/zinc/06/36/96/560063696.db2.gz	NDDBWLPMARYLSU-UHFFFAOYSA-N	-1	3	353.422	2.177	20	30		FEEDHM
CN(C)[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1ccco1	ZINC000443100730	560070607	/nfs/dbraw/zinc/07/06/07/560070607.db2.gz	GRBBACAILCDZRR-ZDUSSCGKSA-N	-1	3	353.831	2.386	20	30		FEEDHM
COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2F)cc1F	ZINC000446634444	560148824	/nfs/dbraw/zinc/14/88/24/560148824.db2.gz	LYANUKGGPANZIZ-UHFFFAOYSA-N	-1	3	352.318	2.424	20	30		FEEDHM
C=CCCS(=O)(=O)[N-][C@@H]1CCN(c2cccc(Br)c2)C1=O	ZINC000447856075	560171362	/nfs/dbraw/zinc/17/13/62/560171362.db2.gz	XPBNXKZPPCNQLO-CYBMUJFWSA-N	-1	3	373.272	2.050	20	30		FEEDHM
CCS(=O)(=O)[N-]c1ccc(NC(=O)c2cc(C#N)[nH]c2C)cc1OC	ZINC000448746756	560197712	/nfs/dbraw/zinc/19/77/12/560197712.db2.gz	CQWGEQZXCZFLBX-UHFFFAOYSA-N	-1	3	362.411	2.217	20	30		FEEDHM
CC1(C)OCC[C@H]1[N-]S(=O)(=O)c1cccc(Br)c1C#N	ZINC000451704417	560323335	/nfs/dbraw/zinc/32/33/35/560323335.db2.gz	XGIUTRPTSIJJHZ-GFCCVEGCSA-N	-1	3	359.245	2.167	20	30		FEEDHM
N#Cc1ccc(N2CCC[C@@H](NC(=O)Cc3ccc([O-])c(F)c3)C2=O)cc1	ZINC000450509938	560264586	/nfs/dbraw/zinc/26/45/86/560264586.db2.gz	MDWCDCKDUZELOI-QGZVFWFLSA-N	-1	3	367.380	2.257	20	30		FEEDHM
C=C(C)CCNS(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)c(F)c1	ZINC000451802332	560329449	/nfs/dbraw/zinc/32/94/49/560329449.db2.gz	LLIJEMVEOHWYFO-UHFFFAOYSA-N	-1	3	364.464	2.222	20	30		FEEDHM
C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1C(=O)OC	ZINC000451910385	560336590	/nfs/dbraw/zinc/33/65/90/560336590.db2.gz	NEXBJIWDBBXWJB-OLZOCXBDSA-N	-1	3	359.831	2.139	20	30		FEEDHM
Cn1c2cc([O-])c(NC(=O)CSc3ccc(C#N)cc3)cc2n(C)c1=O	ZINC000461629366	560777785	/nfs/dbraw/zinc/77/77/85/560777785.db2.gz	FSSXYAZBFYYJCS-UHFFFAOYSA-N	-1	3	368.418	2.185	20	30		FEEDHM
CC(C)[C@H](C#N)[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1	ZINC000463465538	560816098	/nfs/dbraw/zinc/81/60/98/560816098.db2.gz	ZKOFIDNLUOKYMK-NSHDSACASA-N	-1	3	362.205	2.184	20	30		FEEDHM
COC[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1OC)c1ccc(F)cc1	ZINC000464216180	560836273	/nfs/dbraw/zinc/83/62/73/560836273.db2.gz	UFXUMFKSPBUWBT-HNNXBMFYSA-N	-1	3	364.398	2.372	20	30		FEEDHM
C[C@@H]1C[C@@H](C)CN(CCC[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)C1	ZINC000467130303	560904349	/nfs/dbraw/zinc/90/43/49/560904349.db2.gz	GKDIXXZGZZZWTL-CHWSQXEVSA-N	-1	3	371.453	2.483	20	30		FEEDHM
N#Cc1cccnc1OC1CCC(NC(=O)NCc2ncccc2[O-])CC1	ZINC000472173586	561020345	/nfs/dbraw/zinc/02/03/45/561020345.db2.gz	PCPFMNAMFGCKGC-UHFFFAOYSA-N	-1	3	367.409	2.243	20	30		FEEDHM
C=CCCCCNC(=O)c1cc(C2CC2)nc2c1c(=O)[n-]c(=O)n2CC	ZINC000474673934	561080253	/nfs/dbraw/zinc/08/02/53/561080253.db2.gz	FCWRCSRPNJPABX-UHFFFAOYSA-N	-1	3	356.426	2.481	20	30		FEEDHM
Cc1cccc(NCC[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)n1	ZINC000476331411	561116693	/nfs/dbraw/zinc/11/66/93/561116693.db2.gz	MLJBKEQPCGSEAJ-UHFFFAOYSA-N	-1	3	350.831	2.306	20	30		FEEDHM
C[C@@H]1CCN(Cc2ccccc2)C[C@H]1[N-]S(=O)(=O)c1ccc(C#N)o1	ZINC000528530807	562334359	/nfs/dbraw/zinc/33/43/59/562334359.db2.gz	VFTPXUPXRDVLQC-RHSMWYFYSA-N	-1	3	359.451	2.340	20	30		FEEDHM
COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-][C@H](C#N)C(C)C	ZINC000530156374	562400721	/nfs/dbraw/zinc/40/07/21/562400721.db2.gz	ZXDNSBGJLJUJCR-SECBINFHSA-N	-1	3	352.334	2.420	20	30		FEEDHM
CCS(=O)(=O)[N-]c1ccc(NC(=O)C2(C#N)CC(C)C2)cc1OC	ZINC000532319247	562473796	/nfs/dbraw/zinc/47/37/96/562473796.db2.gz	BVOKUWOFIGAYDM-UHFFFAOYSA-N	-1	3	351.428	2.335	20	30		FEEDHM
COc1ccccc1[C@H](CO)[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1	ZINC000533094179	562498101	/nfs/dbraw/zinc/49/81/01/562498101.db2.gz	KLAPWOFHZKAFQP-HNNXBMFYSA-N	-1	3	366.826	2.232	20	30		FEEDHM
C[C@@]1(c2ccc(CNCc3ccc(C#N)cc3F)cc2)NC(=O)[N-]C1=O	ZINC000533449484	562509216	/nfs/dbraw/zinc/50/92/16/562509216.db2.gz	ZXXSTSMFZIEGNU-IBGZPJMESA-N	-1	3	352.369	2.042	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](CO)c1cccc(F)c1	ZINC000536221640	562573591	/nfs/dbraw/zinc/57/35/91/562573591.db2.gz	REZNMOAZHXZXQO-KRWDZBQOSA-N	-1	3	357.385	2.197	20	30		FEEDHM
N#Cc1cc(C(=O)NCCCNC(=O)c2cccc([O-])c2)ccc1Cl	ZINC000541764309	562619354	/nfs/dbraw/zinc/61/93/54/562619354.db2.gz	CAJPRERCIVTHSW-UHFFFAOYSA-N	-1	3	357.797	2.467	20	30		FEEDHM
Cc1cccc2[nH]c(C(C#N)=C([O-])c3ccc(=O)n(-c4cnn(C)c4)c3)nc21	ZINC000545489359	562627890	/nfs/dbraw/zinc/62/78/90/562627890.db2.gz	VLYHODSGNWMCOU-HNNXBMFYSA-N	-1	3	372.388	2.246	20	30		FEEDHM
COc1cc(C#N)ccc1NC(=O)CCn1[n-]c(=O)c2ccccc2c1=O	ZINC000546004101	562632631	/nfs/dbraw/zinc/63/26/31/562632631.db2.gz	JGEMORCDIFDYNC-UHFFFAOYSA-N	-1	3	364.361	2.011	20	30		FEEDHM
C[C@@H]1CN(C(=O)c2cc([O-])cc(Br)c2)C[C@@H](C)N1CC#N	ZINC000603092941	568059899	/nfs/dbraw/zinc/05/98/99/568059899.db2.gz	NJGOFADUQIRULY-GHMZBOCLSA-N	-1	3	352.232	2.213	20	30		FEEDHM
N#CCCCCS(=O)(=O)[N-][C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F	ZINC000603424831	568096411	/nfs/dbraw/zinc/09/64/11/568096411.db2.gz	QJIRMHBRVLNMIA-ZIAGYGMSSA-N	-1	3	364.389	2.134	20	30		FEEDHM
CC[C@H](C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1c(C)noc1C	ZINC000736314831	598918268	/nfs/dbraw/zinc/91/82/68/598918268.db2.gz	UOXMYVIAKHUIJI-ZDUSSCGKSA-N	-1	3	351.370	2.476	20	30		FEEDHM
CC[C@H](C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1c(C)noc1C	ZINC000736314831	598918270	/nfs/dbraw/zinc/91/82/70/598918270.db2.gz	UOXMYVIAKHUIJI-ZDUSSCGKSA-N	-1	3	351.370	2.476	20	30		FEEDHM
N#Cc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1-c1nnn[n-]1	ZINC000737718163	598918762	/nfs/dbraw/zinc/91/87/62/598918762.db2.gz	KKVZRAYPGXDCGC-UHFFFAOYSA-N	-1	3	374.404	2.425	20	30		FEEDHM
N#Cc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1-c1nn[n-]n1	ZINC000737718163	598918764	/nfs/dbraw/zinc/91/87/64/598918764.db2.gz	KKVZRAYPGXDCGC-UHFFFAOYSA-N	-1	3	374.404	2.425	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2ccc(-n3cccn3)cc2)cc1-c1nnn[n-]1	ZINC000737719564	598920806	/nfs/dbraw/zinc/92/08/06/598920806.db2.gz	RYUQQGXQAUOATJ-UHFFFAOYSA-N	-1	3	356.349	2.176	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2ccc(-n3cccn3)cc2)cc1-c1nn[n-]n1	ZINC000737719564	598920807	/nfs/dbraw/zinc/92/08/07/598920807.db2.gz	RYUQQGXQAUOATJ-UHFFFAOYSA-N	-1	3	356.349	2.176	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1-c1nnn[n-]1	ZINC000737719826	598922162	/nfs/dbraw/zinc/92/21/62/598922162.db2.gz	WIMZVVQSQATJCD-UHFFFAOYSA-N	-1	3	373.376	2.117	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1-c1nn[n-]n1	ZINC000737719826	598922163	/nfs/dbraw/zinc/92/21/63/598922163.db2.gz	WIMZVVQSQATJCD-UHFFFAOYSA-N	-1	3	373.376	2.117	20	30		FEEDHM
COc1cccc(SCC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c1	ZINC000737139993	598925324	/nfs/dbraw/zinc/92/53/24/598925324.db2.gz	AISUZYGPBQSZBK-UHFFFAOYSA-N	-1	3	366.406	2.478	20	30		FEEDHM
COc1cccc(SCC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c1	ZINC000737139993	598925326	/nfs/dbraw/zinc/92/53/26/598925326.db2.gz	AISUZYGPBQSZBK-UHFFFAOYSA-N	-1	3	366.406	2.478	20	30		FEEDHM
COc1ccccc1C1(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)CC1	ZINC000737148300	598927139	/nfs/dbraw/zinc/92/71/39/598927139.db2.gz	QLUYYADQKZZEQO-UHFFFAOYSA-N	-1	3	360.377	2.417	20	30		FEEDHM
COc1ccccc1C1(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)CC1	ZINC000737148300	598927142	/nfs/dbraw/zinc/92/71/42/598927142.db2.gz	QLUYYADQKZZEQO-UHFFFAOYSA-N	-1	3	360.377	2.417	20	30		FEEDHM
COC(=O)Nc1cccc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c1	ZINC000736940644	598927956	/nfs/dbraw/zinc/92/79/56/598927956.db2.gz	RMMVGMNNEMSWOZ-UHFFFAOYSA-N	-1	3	363.337	2.169	20	30		FEEDHM
COC(=O)Nc1cccc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c1	ZINC000736940644	598927958	/nfs/dbraw/zinc/92/79/58/598927958.db2.gz	RMMVGMNNEMSWOZ-UHFFFAOYSA-N	-1	3	363.337	2.169	20	30		FEEDHM
O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1ccc2c(c1)COC2	ZINC000822935434	599112858	/nfs/dbraw/zinc/11/28/58/599112858.db2.gz	KXLKOPDTKHIOOF-SNAWJCMRSA-N	-1	3	358.361	2.441	20	30		FEEDHM
O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1ccc2c(c1)COC2	ZINC000822935434	599112861	/nfs/dbraw/zinc/11/28/61/599112861.db2.gz	KXLKOPDTKHIOOF-SNAWJCMRSA-N	-1	3	358.361	2.441	20	30		FEEDHM
COC(=O)c1occc1C=C1CCc2cc(-c3nnn[n-]3)ccc2C1=O	ZINC000821671343	599113730	/nfs/dbraw/zinc/11/37/30/599113730.db2.gz	RXDWOOAMEMPFNC-PKNBQFBNSA-N	-1	3	350.334	2.459	20	30		FEEDHM
COC(=O)c1occc1C=C1CCc2cc(-c3nn[n-]n3)ccc2C1=O	ZINC000821671343	599113733	/nfs/dbraw/zinc/11/37/33/599113733.db2.gz	RXDWOOAMEMPFNC-PKNBQFBNSA-N	-1	3	350.334	2.459	20	30		FEEDHM
N#Cc1ccccc1NC(=S)NCCOc1ccc(-c2nn[n-]n2)cc1	ZINC000737727194	599176535	/nfs/dbraw/zinc/17/65/35/599176535.db2.gz	FXEBBEVZKGFJLR-UHFFFAOYSA-N	-1	3	365.422	2.104	20	30		FEEDHM
N#Cc1ccc(NC(=O)[C@H]2C[C@]23CCOc2ccccc23)cc1-c1nnn[n-]1	ZINC000737716480	599192838	/nfs/dbraw/zinc/19/28/38/599192838.db2.gz	QZZVDHLGIQUWLT-UZLBHIALSA-N	-1	3	372.388	2.417	20	30		FEEDHM
N#Cc1ccc(NC(=O)[C@H]2C[C@]23CCOc2ccccc23)cc1-c1nn[n-]n1	ZINC000737716480	599192841	/nfs/dbraw/zinc/19/28/41/599192841.db2.gz	QZZVDHLGIQUWLT-UZLBHIALSA-N	-1	3	372.388	2.417	20	30		FEEDHM
C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@]1(C#N)CCC[C@@H](C)C1	ZINC000736244238	599201889	/nfs/dbraw/zinc/20/18/89/599201889.db2.gz	GABPSEMXOJVHMS-VFVRVIDISA-N	-1	3	354.414	2.223	20	30		FEEDHM
C#CCNC(=O)[C@H](C)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1	ZINC000735381042	598284162	/nfs/dbraw/zinc/28/41/62/598284162.db2.gz	KNTWKGQXYRSIJK-ZDUSSCGKSA-N	-1	3	362.393	2.209	20	30		FEEDHM
C#CCNC(=O)[C@H](C)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1	ZINC000735381042	598284163	/nfs/dbraw/zinc/28/41/63/598284163.db2.gz	KNTWKGQXYRSIJK-ZDUSSCGKSA-N	-1	3	362.393	2.209	20	30		FEEDHM
COc1ccc(C#N)cc1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F	ZINC000737065820	598324004	/nfs/dbraw/zinc/32/40/04/598324004.db2.gz	PKLHCKWLHCGAHL-UHFFFAOYSA-N	-1	3	367.344	2.208	20	30		FEEDHM
COc1ccc(C#N)cc1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F	ZINC000737065820	598324005	/nfs/dbraw/zinc/32/40/05/598324005.db2.gz	PKLHCKWLHCGAHL-UHFFFAOYSA-N	-1	3	367.344	2.208	20	30		FEEDHM
C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCC#Cc1ccc(F)cc1	ZINC000820524893	607350091	/nfs/dbraw/zinc/35/00/91/607350091.db2.gz	BYIJVGALPAXBFX-CYBMUJFWSA-N	-1	3	366.352	2.368	20	30		FEEDHM
C[C@@H](C#N)CN(C)C(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1	ZINC000735503709	598329520	/nfs/dbraw/zinc/32/95/20/598329520.db2.gz	LNGXSNAHSDQJLQ-LBPRGKRZSA-N	-1	3	366.381	2.270	20	30		FEEDHM
C[C@@H](C#N)CN(C)C(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1	ZINC000735503709	598329522	/nfs/dbraw/zinc/32/95/22/598329522.db2.gz	LNGXSNAHSDQJLQ-LBPRGKRZSA-N	-1	3	366.381	2.270	20	30		FEEDHM
C#CCOc1cccc(NC(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)c1	ZINC000735381566	598494550	/nfs/dbraw/zinc/49/45/50/598494550.db2.gz	VXBYJXODIQNOEL-CYBMUJFWSA-N	-1	3	363.377	2.285	20	30		FEEDHM
C[C@H](C#N)CN(C)C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1	ZINC000735501935	598547315	/nfs/dbraw/zinc/54/73/15/598547315.db2.gz	APHDPFVFTJXSMV-GFCCVEGCSA-N	-1	3	366.381	2.270	20	30		FEEDHM
CN(CCC#N)C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1	ZINC000736792867	598547946	/nfs/dbraw/zinc/54/79/46/598547946.db2.gz	TVVLLFFRPGXARA-UHFFFAOYSA-N	-1	3	352.354	2.024	20	30		FEEDHM
Cc1cc(C(=O)NC2(C#N)CCC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1	ZINC000737235631	598611875	/nfs/dbraw/zinc/61/18/75/598611875.db2.gz	WQVGRITZABMYNN-UHFFFAOYSA-N	-1	3	361.409	2.450	20	30		FEEDHM
N#CCCCCNC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1	ZINC000737687019	598749061	/nfs/dbraw/zinc/74/90/61/598749061.db2.gz	GKJPZAHITAQNDK-UHFFFAOYSA-N	-1	3	366.381	2.462	20	30		FEEDHM
N#CCCCCNC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1	ZINC000737687019	598749062	/nfs/dbraw/zinc/74/90/62/598749062.db2.gz	GKJPZAHITAQNDK-UHFFFAOYSA-N	-1	3	366.381	2.462	20	30		FEEDHM
N#CCCN(Cc1ccccn1)C(=O)C=Cc1ccccc1-c1nnn[n-]1	ZINC000737694951	598753568	/nfs/dbraw/zinc/75/35/68/598753568.db2.gz	QRAHEPZUFZUEKG-MDZDMXLPSA-N	-1	3	359.393	2.217	20	30		FEEDHM
N#CCCN(Cc1ccccn1)C(=O)C=Cc1ccccc1-c1nn[n-]n1	ZINC000737694951	598753569	/nfs/dbraw/zinc/75/35/69/598753569.db2.gz	QRAHEPZUFZUEKG-MDZDMXLPSA-N	-1	3	359.393	2.217	20	30		FEEDHM
Cc1cc(-c2nnn[n-]2)cc(C)c1OS(=O)(=O)c1ccc(C#N)cc1	ZINC000822135998	599360469	/nfs/dbraw/zinc/36/04/69/599360469.db2.gz	IBBKGNVEJLAISI-UHFFFAOYSA-N	-1	3	355.379	2.123	20	30		FEEDHM
Cc1cc(-c2nn[n-]n2)cc(C)c1OS(=O)(=O)c1ccc(C#N)cc1	ZINC000822135998	599360472	/nfs/dbraw/zinc/36/04/72/599360472.db2.gz	IBBKGNVEJLAISI-UHFFFAOYSA-N	-1	3	355.379	2.123	20	30		FEEDHM
C=C(Cl)CNC(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1	ZINC000735402559	599454455	/nfs/dbraw/zinc/45/44/55/599454455.db2.gz	XABKMRJWMXOVEW-UHFFFAOYSA-N	-1	3	362.821	2.172	20	30		FEEDHM
COc1ccc(NC(=O)C(C#N)C(=O)CCCNC(=O)[O-])cc1Cl	ZINC000738024130	599798742	/nfs/dbraw/zinc/79/87/42/599798742.db2.gz	AGQBAKZAXHWSNA-JTQLQIEISA-N	-1	3	353.762	2.044	20	30		FEEDHM
COc1ccc(NC(=O)C(C#N)C(=O)CCCN(C)C(=O)[O-])cc1Cl	ZINC000738027037	599912363	/nfs/dbraw/zinc/91/23/63/599912363.db2.gz	UIIOCGGHUHZXSV-NSHDSACASA-N	-1	3	367.789	2.386	20	30		FEEDHM
O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1ccc2c(c1)NC(=O)CO2	ZINC000823542981	607458954	/nfs/dbraw/zinc/45/89/54/607458954.db2.gz	ZYCGEMRRKNFSMG-HYXAFXHYSA-N	-1	3	365.324	2.233	20	30		FEEDHM
O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1ccc2c(c1)NC(=O)CO2	ZINC000823542981	607458955	/nfs/dbraw/zinc/45/89/55/607458955.db2.gz	ZYCGEMRRKNFSMG-HYXAFXHYSA-N	-1	3	365.324	2.233	20	30		FEEDHM
C[C@H](NC(=O)[O-])[C@@H]1CCCCN1C[C@@H](O)COc1ccc(CC#N)cc1	ZINC000739012003	602274216	/nfs/dbraw/zinc/27/42/16/602274216.db2.gz	RFVWVQDFACUAOU-LESCRADOSA-N	-1	3	361.442	2.003	20	30		FEEDHM
N#Cc1c2c(sc1NC(=O)CCN1CCC(NC(=O)[O-])CC1)CCC2	ZINC000740310876	602375436	/nfs/dbraw/zinc/37/54/36/602375436.db2.gz	KREPBBJHTMWKPT-UHFFFAOYSA-N	-1	3	362.455	2.169	20	30		FEEDHM
C=C(C)CN1CCC(NC(=O)N[C@H](C)[C@@H]2CCCN(C(=O)[O-])C2)CC1	ZINC000738485728	602680220	/nfs/dbraw/zinc/68/02/20/602680220.db2.gz	PUIDKWXYHRETCJ-HUUCEWRRSA-N	-1	3	352.479	2.105	20	30		FEEDHM
C=CCN1CCC(NC(=O)N2CCC[C@@H]([C@H]3CCCN3C(=O)[O-])C2)CC1	ZINC000738491172	602715284	/nfs/dbraw/zinc/71/52/84/602715284.db2.gz	GWKXTUILZDLGDW-NVXWUHKLSA-N	-1	3	364.490	2.201	20	30		FEEDHM
C=CCN1CCC(NC(=O)[C@H](NC(=O)[O-])c2cccc(Cl)c2)CC1	ZINC000738491592	603304320	/nfs/dbraw/zinc/30/43/20/603304320.db2.gz	KVRMHCRORDTKKC-OAHLLOKOSA-N	-1	3	351.834	2.415	20	30		FEEDHM
N#Cc1c(NC(=O)CCN2CCC[C@H]2CNC(=O)[O-])sc2c1CCC2	ZINC000831114399	603572667	/nfs/dbraw/zinc/57/26/67/603572667.db2.gz	NBKYPJQICMTDMA-NSHDSACASA-N	-1	3	362.455	2.169	20	30		FEEDHM
C=C(C)CN1CCC(NC(=O)N(C)C2CCC(NC(=O)[O-])CC2)CC1	ZINC000823480529	603649119	/nfs/dbraw/zinc/64/91/19/603649119.db2.gz	FQQJGCPTGLMBTP-UHFFFAOYSA-N	-1	3	352.479	2.247	20	30		FEEDHM
Cc1cccc(S(=O)(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1C#N	ZINC000826303032	607656900	/nfs/dbraw/zinc/65/69/00/607656900.db2.gz	YIPUENIRBVZLID-LBPRGKRZSA-N	-1	3	368.422	2.086	20	30		FEEDHM
Cc1cccc(S(=O)(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1C#N	ZINC000826303032	607656902	/nfs/dbraw/zinc/65/69/02/607656902.db2.gz	YIPUENIRBVZLID-LBPRGKRZSA-N	-1	3	368.422	2.086	20	30		FEEDHM
Cc1sc(NC(=O)CN[C@](C)(CNC(=O)[O-])C2CC2)c(C#N)c1C	ZINC000830956400	605172086	/nfs/dbraw/zinc/17/20/86/605172086.db2.gz	HPUHLCWUHMBMFT-MRXNPFEDSA-N	-1	3	350.444	2.201	20	30		FEEDHM
C#CCNC(=O)C1CCN([C@H](C(=O)[O-])c2ccccc2C(F)(F)F)CC1	ZINC000833365288	605264072	/nfs/dbraw/zinc/26/40/72/605264072.db2.gz	GCCXPNDCTUIWCP-HNNXBMFYSA-N	-1	3	368.355	2.293	20	30		FEEDHM
C#C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)co1)c1ccc(Cl)cc1	ZINC000810100631	674531585	/nfs/dbraw/zinc/53/15/85/674531585.db2.gz	OLMVFBATVDLVAU-CYBMUJFWSA-N	-1	3	353.783	2.372	20	30		FEEDHM
Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1sc2c(c1C#N)CCCC2	ZINC000822655670	606209360	/nfs/dbraw/zinc/20/93/60/606209360.db2.gz	SMFASPDLWNUGMR-UHFFFAOYSA-N	-1	3	353.411	2.269	20	30		FEEDHM
Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1sc2c(c1C#N)CCCC2	ZINC000822655670	606209362	/nfs/dbraw/zinc/20/93/62/606209362.db2.gz	SMFASPDLWNUGMR-UHFFFAOYSA-N	-1	3	353.411	2.269	20	30		FEEDHM
N#Cc1ccc(N[C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)cc1	ZINC000822829880	606243732	/nfs/dbraw/zinc/24/37/32/606243732.db2.gz	NFLGFUNSLPITQY-ZDUSSCGKSA-N	-1	3	351.395	2.017	20	30		FEEDHM
N#Cc1ccc(N[C@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)cc1	ZINC000822829880	606243734	/nfs/dbraw/zinc/24/37/34/606243734.db2.gz	NFLGFUNSLPITQY-ZDUSSCGKSA-N	-1	3	351.395	2.017	20	30		FEEDHM
N#Cc1cc(N[C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)ccc1F	ZINC000822823265	606248971	/nfs/dbraw/zinc/24/89/71/606248971.db2.gz	NZNUAVCGTBRYRY-CYBMUJFWSA-N	-1	3	369.385	2.156	20	30		FEEDHM
N#Cc1cc(N[C@@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)ccc1F	ZINC000822823265	606248973	/nfs/dbraw/zinc/24/89/73/606248973.db2.gz	NZNUAVCGTBRYRY-CYBMUJFWSA-N	-1	3	369.385	2.156	20	30		FEEDHM
C=CCNC(=O)Nc1ccc(NC(=O)c2cc(-c3nnn[n-]3)cs2)cc1	ZINC000819751566	606553382	/nfs/dbraw/zinc/55/33/82/606553382.db2.gz	WNWUYLUTKPCKJU-UHFFFAOYSA-N	-1	3	369.410	2.488	20	30		FEEDHM
C=CCNC(=O)Nc1ccc(NC(=O)c2cc(-c3nn[n-]n3)cs2)cc1	ZINC000819751566	606553383	/nfs/dbraw/zinc/55/33/83/606553383.db2.gz	WNWUYLUTKPCKJU-UHFFFAOYSA-N	-1	3	369.410	2.488	20	30		FEEDHM
CC(C)(C)[C@H](C#N)NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1	ZINC000819898871	606641166	/nfs/dbraw/zinc/64/11/66/606641166.db2.gz	JTSOINXLIXUNAI-HNNXBMFYSA-N	-1	3	356.430	2.470	20	30		FEEDHM
CC(C)(C)[C@H](C#N)NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1	ZINC000819898871	606641167	/nfs/dbraw/zinc/64/11/67/606641167.db2.gz	JTSOINXLIXUNAI-HNNXBMFYSA-N	-1	3	356.430	2.470	20	30		FEEDHM
N#Cc1ccc(CC(=O)OCCCOc2cccc(-c3nnn[n-]3)c2)cc1	ZINC000822826094	606948582	/nfs/dbraw/zinc/94/85/82/606948582.db2.gz	UOFHUANUFCNJRQ-UHFFFAOYSA-N	-1	3	363.377	2.293	20	30		FEEDHM
N#Cc1ccc(CC(=O)OCCCOc2cccc(-c3nn[n-]n3)c2)cc1	ZINC000822826094	606948583	/nfs/dbraw/zinc/94/85/83/606948583.db2.gz	UOFHUANUFCNJRQ-UHFFFAOYSA-N	-1	3	363.377	2.293	20	30		FEEDHM
CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1ccc(C#N)cc1	ZINC000819997155	606991916	/nfs/dbraw/zinc/99/19/16/606991916.db2.gz	SBOYAQHVACGANV-UHFFFAOYSA-N	-1	3	362.393	2.212	20	30		FEEDHM
CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1ccc(C#N)cc1	ZINC000819997155	606991917	/nfs/dbraw/zinc/99/19/17/606991917.db2.gz	SBOYAQHVACGANV-UHFFFAOYSA-N	-1	3	362.393	2.212	20	30		FEEDHM
C=CCC(CC=C)C(=O)O[C@@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O	ZINC000819734288	607002565	/nfs/dbraw/zinc/00/25/65/607002565.db2.gz	KZQFSZNDOFLXRI-CYBMUJFWSA-N	-1	3	373.438	2.345	20	30		FEEDHM
C=CCC(CC=C)C(=O)O[C@@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O	ZINC000819734288	607002567	/nfs/dbraw/zinc/00/25/67/607002567.db2.gz	KZQFSZNDOFLXRI-CYBMUJFWSA-N	-1	3	373.438	2.345	20	30		FEEDHM
CON=Cc1ccc(C(=O)OCc2cc(F)ccc2-c2nnn[n-]2)cc1	ZINC000821697607	607072229	/nfs/dbraw/zinc/07/22/29/607072229.db2.gz	HWOTZEQAPKEGNN-UHFFFAOYSA-N	-1	3	355.329	2.343	20	30		FEEDHM
CON=Cc1ccc(C(=O)OCc2cc(F)ccc2-c2nn[n-]n2)cc1	ZINC000821697607	607072230	/nfs/dbraw/zinc/07/22/30/607072230.db2.gz	HWOTZEQAPKEGNN-UHFFFAOYSA-N	-1	3	355.329	2.343	20	30		FEEDHM
N#Cc1cccc(C(=O)NCc2nc(-c3cccc(-c4nnn[n-]4)c3)c[nH]2)c1	ZINC000822837184	607188568	/nfs/dbraw/zinc/18/85/68/607188568.db2.gz	ISQLWQLCRSYUEX-UHFFFAOYSA-N	-1	3	370.376	2.058	20	30		FEEDHM
N#Cc1cccc(C(=O)NCc2nc(-c3cccc(-c4nn[n-]n4)c3)c[nH]2)c1	ZINC000822837184	607188569	/nfs/dbraw/zinc/18/85/69/607188569.db2.gz	ISQLWQLCRSYUEX-UHFFFAOYSA-N	-1	3	370.376	2.058	20	30		FEEDHM
Cc1noc(C)c1[C@H](C)CC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1	ZINC000826338032	607830055	/nfs/dbraw/zinc/83/00/55/607830055.db2.gz	ITTSDICAXIVNAR-SECBINFHSA-N	-1	3	351.370	2.476	20	30		FEEDHM
Cc1noc(C)c1[C@H](C)CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1	ZINC000826338032	607830056	/nfs/dbraw/zinc/83/00/56/607830056.db2.gz	ITTSDICAXIVNAR-SECBINFHSA-N	-1	3	351.370	2.476	20	30		FEEDHM
CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N(C[C@@H](C)C#N)C1CC1	ZINC000825621655	607834974	/nfs/dbraw/zinc/83/49/74/607834974.db2.gz	WKVLRZAEZUZYID-NSHDSACASA-N	-1	3	355.402	2.421	20	30		FEEDHM
CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N(C[C@@H](C)C#N)C1CC1	ZINC000825621655	607834975	/nfs/dbraw/zinc/83/49/75/607834975.db2.gz	WKVLRZAEZUZYID-NSHDSACASA-N	-1	3	355.402	2.421	20	30		FEEDHM
CCCCCCCCNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1	ZINC000825271546	607855578	/nfs/dbraw/zinc/85/55/78/607855578.db2.gz	KYNPUOAHSJRFHW-UHFFFAOYSA-N	-1	3	358.446	2.073	20	30		FEEDHM
CCCCCCCCNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1	ZINC000825271546	607855579	/nfs/dbraw/zinc/85/55/79/607855579.db2.gz	KYNPUOAHSJRFHW-UHFFFAOYSA-N	-1	3	358.446	2.073	20	30		FEEDHM
C[C@@H]1CCC[C@H](NC(=S)NN=Cc2ccccc2-c2nnn[n-]2)[C@@H]1C	ZINC000824927279	607883279	/nfs/dbraw/zinc/88/32/79/607883279.db2.gz	NMSGGFVCZZJKHR-JMSVASOKSA-N	-1	3	357.487	2.489	20	30		FEEDHM
C[C@@H]1CCC[C@H](NC(=S)NN=Cc2ccccc2-c2nn[n-]n2)[C@@H]1C	ZINC000824927279	607883280	/nfs/dbraw/zinc/88/32/80/607883280.db2.gz	NMSGGFVCZZJKHR-JMSVASOKSA-N	-1	3	357.487	2.489	20	30		FEEDHM
COc1ccc(CON=C(N)c2ccc(Cl)cc2)cc1-c1nnn[n-]1	ZINC000826206977	607972084	/nfs/dbraw/zinc/97/20/84/607972084.db2.gz	URKQHWQUZYFCDD-UHFFFAOYSA-N	-1	3	358.789	2.366	20	30		FEEDHM
COc1ccc(CON=C(N)c2ccc(Cl)cc2)cc1-c1nn[n-]n1	ZINC000826206977	607972085	/nfs/dbraw/zinc/97/20/85/607972085.db2.gz	URKQHWQUZYFCDD-UHFFFAOYSA-N	-1	3	358.789	2.366	20	30		FEEDHM
C[C@]1(C#N)CCCN(Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)C1	ZINC000824779076	608125725	/nfs/dbraw/zinc/12/57/25/608125725.db2.gz	SIEMTIWMRCKTPI-QGZVFWFLSA-N	-1	3	350.386	2.042	20	30		FEEDHM
C[C@]1(C#N)CCCN(Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)C1	ZINC000824779076	608125726	/nfs/dbraw/zinc/12/57/26/608125726.db2.gz	SIEMTIWMRCKTPI-QGZVFWFLSA-N	-1	3	350.386	2.042	20	30		FEEDHM
C[C@]1(C#N)CCCN(CC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)C1	ZINC000824779441	608125796	/nfs/dbraw/zinc/12/57/96/608125796.db2.gz	VIFHZDYOTKXGCZ-MRXNPFEDSA-N	-1	3	359.821	2.084	20	30		FEEDHM
C[C@]1(C#N)CCCN(CC(=O)Nc2cc(Cl)ccc2-c2nn[n-]n2)C1	ZINC000824779441	608125797	/nfs/dbraw/zinc/12/57/97/608125797.db2.gz	VIFHZDYOTKXGCZ-MRXNPFEDSA-N	-1	3	359.821	2.084	20	30		FEEDHM
COCCOc1ccc(C#N)cc1NC(=O)c1sccc1-c1nnn[n-]1	ZINC000826162745	608139282	/nfs/dbraw/zinc/13/92/82/608139282.db2.gz	QKQXYNPLNYWIAQ-UHFFFAOYSA-N	-1	3	370.394	2.077	20	30		FEEDHM
COCCOc1ccc(C#N)cc1NC(=O)c1sccc1-c1nn[n-]n1	ZINC000826162745	608139283	/nfs/dbraw/zinc/13/92/83/608139283.db2.gz	QKQXYNPLNYWIAQ-UHFFFAOYSA-N	-1	3	370.394	2.077	20	30		FEEDHM
COc1ccccc1SCC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1	ZINC000826220878	608158171	/nfs/dbraw/zinc/15/81/71/608158171.db2.gz	FAVYSOXWMBBGCJ-UHFFFAOYSA-N	-1	3	366.406	2.478	20	30		FEEDHM
COc1ccccc1SCC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1	ZINC000826220878	608158172	/nfs/dbraw/zinc/15/81/72/608158172.db2.gz	FAVYSOXWMBBGCJ-UHFFFAOYSA-N	-1	3	366.406	2.478	20	30		FEEDHM
N#C[C@H](COC(=O)Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccs1	ZINC000826380279	608276398	/nfs/dbraw/zinc/27/63/98/608276398.db2.gz	UDEYALUTVSDDTK-CYBMUJFWSA-N	-1	3	353.407	2.396	20	30		FEEDHM
N#C[C@H](COC(=O)Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccs1	ZINC000826380279	608276400	/nfs/dbraw/zinc/27/64/00/608276400.db2.gz	UDEYALUTVSDDTK-CYBMUJFWSA-N	-1	3	353.407	2.396	20	30		FEEDHM
Cc1cccn2c(CN=Nc3cc(-c4nnn[n-]4)cc(Cl)n3)cnc12	ZINC000826307897	608537479	/nfs/dbraw/zinc/53/74/79/608537479.db2.gz	ALBYBWOWGIHPMA-UHFFFAOYSA-N	-1	3	353.777	2.317	20	30		FEEDHM
Cc1cccn2c(CN=Nc3cc(-c4nn[n-]n4)cc(Cl)n3)cnc12	ZINC000826307897	608537480	/nfs/dbraw/zinc/53/74/80/608537480.db2.gz	ALBYBWOWGIHPMA-UHFFFAOYSA-N	-1	3	353.777	2.317	20	30		FEEDHM
COCCN(Cc1ccc(-c2nnn[n-]2)s1)Cc1ccc(C#N)cc1	ZINC000826158741	608566704	/nfs/dbraw/zinc/56/67/04/608566704.db2.gz	AOIYREVPVDEBRM-UHFFFAOYSA-N	-1	3	354.439	2.448	20	30		FEEDHM
COCCN(Cc1ccc(C#N)s1)Cc1ccc(-c2nn[n-]n2)cc1	ZINC000826158833	608567204	/nfs/dbraw/zinc/56/72/04/608567204.db2.gz	FJNODUYZMZOHDO-UHFFFAOYSA-N	-1	3	354.439	2.448	20	30		FEEDHM
CC(C)(CCC#N)CN1CCN(c2oc(C3CC3)nc2-c2nnn[n-]2)CC1	ZINC000824152793	608589605	/nfs/dbraw/zinc/58/96/05/608589605.db2.gz	NGEQSAXBVNSBKX-UHFFFAOYSA-N	-1	3	370.461	2.184	20	30		FEEDHM
N#Cc1ccc(CN2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)s1	ZINC000826385122	608640766	/nfs/dbraw/zinc/64/07/66/608640766.db2.gz	YDYGZBBJTAATDE-UHFFFAOYSA-N	-1	3	369.429	2.261	20	30		FEEDHM
Cn1cc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)c(C(C)(C)C)n1	ZINC000826360663	608752460	/nfs/dbraw/zinc/75/24/60/608752460.db2.gz	SXCHNOHDBPLPCZ-UHFFFAOYSA-N	-1	3	359.825	2.392	20	30		FEEDHM
Cn1cc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)c(C(C)(C)C)n1	ZINC000826360663	608752462	/nfs/dbraw/zinc/75/24/62/608752462.db2.gz	SXCHNOHDBPLPCZ-UHFFFAOYSA-N	-1	3	359.825	2.392	20	30		FEEDHM
O=C1c2ccccc2S(=O)(=O)CC1=Cc1ccc(F)c(-c2nnn[n-]2)c1	ZINC000826476060	608878075	/nfs/dbraw/zinc/87/80/75/608878075.db2.gz	ZVUPFJSTESQZNO-YRNVUSSQSA-N	-1	3	370.365	2.059	20	30		FEEDHM
O=C1c2ccccc2S(=O)(=O)CC1=Cc1ccc(F)c(-c2nn[n-]n2)c1	ZINC000826476060	608878076	/nfs/dbraw/zinc/87/80/76/608878076.db2.gz	ZVUPFJSTESQZNO-YRNVUSSQSA-N	-1	3	370.365	2.059	20	30		FEEDHM
CC1(C#N)CCN(CC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)CC1	ZINC000824778440	609142271	/nfs/dbraw/zinc/14/22/71/609142271.db2.gz	OWJAGFAGONYHGG-UHFFFAOYSA-N	-1	3	359.821	2.084	20	30		FEEDHM
CC1(C#N)CCN(CC(=O)Nc2cc(Cl)ccc2-c2nn[n-]n2)CC1	ZINC000824778440	609142274	/nfs/dbraw/zinc/14/22/74/609142274.db2.gz	OWJAGFAGONYHGG-UHFFFAOYSA-N	-1	3	359.821	2.084	20	30		FEEDHM
CC(=NNC(=S)Nc1cccnc1)c1ccc(-c2nnn[n-]2)c(F)c1	ZINC000823953536	609157431	/nfs/dbraw/zinc/15/74/31/609157431.db2.gz	FOTSWHZYNVXGCO-UHFFFAOYSA-N	-1	3	356.390	2.111	20	30		FEEDHM
CC(=NNC(=S)Nc1cccnc1)c1ccc(-c2nn[n-]n2)c(F)c1	ZINC000823953536	609157432	/nfs/dbraw/zinc/15/74/32/609157432.db2.gz	FOTSWHZYNVXGCO-UHFFFAOYSA-N	-1	3	356.390	2.111	20	30		FEEDHM
Cc1ccc(N(CCC#N)C(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1	ZINC000826289744	609215636	/nfs/dbraw/zinc/21/56/36/609215636.db2.gz	LFFFDJPDZZYESB-QGZVFWFLSA-N	-1	3	362.393	2.155	20	30		FEEDHM
Cc1ccc(N(CCC#N)C(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1	ZINC000826289744	609215638	/nfs/dbraw/zinc/21/56/38/609215638.db2.gz	LFFFDJPDZZYESB-QGZVFWFLSA-N	-1	3	362.393	2.155	20	30		FEEDHM
COC[C@H](C)NN=Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1	ZINC000826149696	609306079	/nfs/dbraw/zinc/30/60/79/609306079.db2.gz	MYJPHDVAIIHYKD-AWEZNQCLSA-N	-1	3	366.425	2.404	20	30		FEEDHM
COC[C@H](C)NN=Cc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1	ZINC000826149696	609306080	/nfs/dbraw/zinc/30/60/80/609306080.db2.gz	MYJPHDVAIIHYKD-AWEZNQCLSA-N	-1	3	366.425	2.404	20	30		FEEDHM
C[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCC(CC#N)CC1	ZINC000824045242	609428201	/nfs/dbraw/zinc/42/82/01/609428201.db2.gz	JUUGUSPJYBPMBW-NSHDSACASA-N	-1	3	373.848	2.473	20	30		FEEDHM
C[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCC(CC#N)CC1	ZINC000824045242	609428202	/nfs/dbraw/zinc/42/82/02/609428202.db2.gz	JUUGUSPJYBPMBW-NSHDSACASA-N	-1	3	373.848	2.473	20	30		FEEDHM
Cc1ncc(CO)c(/C=N/[C@@H](C)c2ncc(Br)cn2)c1[O-]	ZINC000814183844	674825088	/nfs/dbraw/zinc/82/50/88/674825088.db2.gz	OUBWJSDAGIRHOW-CKOTXCHGSA-N	-1	3	351.204	2.321	20	30		FEEDHM
N#Cc1csc(C=Nn2c(=S)[n-]nc2[C@@H]2COc3ccccc3O2)n1	ZINC000814741444	674877811	/nfs/dbraw/zinc/87/78/11/674877811.db2.gz	BBPUENPPHMZMBM-LBPRGKRZSA-N	-1	3	370.419	2.290	20	30		FEEDHM
C[C@H](C#N)OC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl	ZINC000022301240	670039162	/nfs/dbraw/zinc/03/91/62/670039162.db2.gz	AKLPLDMFZCBKOC-MRVPVSSYSA-N	-1	3	351.211	2.117	20	30		FEEDHM
O=C(N[C@@H]1CCN([O-])C1=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1	ZINC000816693628	675073618	/nfs/dbraw/zinc/07/36/18/675073618.db2.gz	OXHIZCOGWULWED-CYBMUJFWSA-N	-1	3	365.411	2.349	20	30		FEEDHM
Cc1cc(C(=O)N[C@H]2CCCN([O-])C2=O)nc(-c2ccc(Cl)cc2)n1	ZINC000816754733	675077622	/nfs/dbraw/zinc/07/76/22/675077622.db2.gz	KOZZAVBOWBZVSS-ZDUSSCGKSA-N	-1	3	360.801	2.215	20	30		FEEDHM
CCc1c(C(=O)N[C@@H]2CCCN([O-])C2=O)cnn1-c1cccc(Cl)c1	ZINC000816755105	675077785	/nfs/dbraw/zinc/07/77/85/675077785.db2.gz	SSRPSNCAFRLXJY-CQSZACIVSA-N	-1	3	362.817	2.198	20	30		FEEDHM
C#CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC)cc2)ccc1C	ZINC000045903316	670210468	/nfs/dbraw/zinc/21/04/68/670210468.db2.gz	RBSSEASSRZXLPL-UHFFFAOYSA-N	-1	3	358.419	2.167	20	30		FEEDHM
CCOCc1nc([C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)no1	ZINC000574265916	671219979	/nfs/dbraw/zinc/21/99/79/671219979.db2.gz	MCGGRCQKXSXAGN-SECBINFHSA-N	-1	3	370.818	2.171	20	30		FEEDHM
C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(Cl)cc2[O-])c1	ZINC000153612539	672201547	/nfs/dbraw/zinc/20/15/47/672201547.db2.gz	LIQLYALBTIIWTL-UHFFFAOYSA-N	-1	3	364.810	2.209	20	30		FEEDHM
C#CCCCCNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1	ZINC000156519899	672247581	/nfs/dbraw/zinc/24/75/81/672247581.db2.gz	MYFBGXHLKZRUIC-UHFFFAOYSA-N	-1	3	354.447	2.436	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](COCC)C(C)C)ccc1F	ZINC000189531632	672617564	/nfs/dbraw/zinc/61/75/64/672617564.db2.gz	YXBUHSJPGSUGNO-HNNXBMFYSA-N	-1	3	372.462	2.081	20	30		FEEDHM
CC(C)(C#N)CNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1	ZINC000611688465	676050554	/nfs/dbraw/zinc/05/05/54/676050554.db2.gz	NYPYDPCNVDZDAS-UHFFFAOYSA-N	-1	3	364.402	2.234	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)NCC2(SC)CCC2)ccc1F	ZINC000194499149	672760979	/nfs/dbraw/zinc/76/09/79/672760979.db2.gz	WLAQWHFWNUBMND-UHFFFAOYSA-N	-1	3	372.487	2.306	20	30		FEEDHM
CO[C@@H](CS(=O)(=O)[N-]c1ccc(C#N)cc1Cl)C1CCOCC1	ZINC000592352264	672790516	/nfs/dbraw/zinc/79/05/16/672790516.db2.gz	YOZYXTAKPXKNNY-HNNXBMFYSA-N	-1	3	358.847	2.395	20	30		FEEDHM
CC(=O)N1CC[C@H]([N-]S(=O)(=O)c2ccsc2C#N)c2ccccc21	ZINC000593568058	672945920	/nfs/dbraw/zinc/94/59/20/672945920.db2.gz	UEUBPQYSMMWTCP-ZDUSSCGKSA-N	-1	3	361.448	2.396	20	30		FEEDHM
CO[C@H](CS(=O)(=O)[N-]C1(C#N)CCC(C(C)(C)C)CC1)[C@@H]1CCOC1	ZINC000594723042	673123597	/nfs/dbraw/zinc/12/35/97/673123597.db2.gz	JTCYESPSQZDIID-JBCIKUTRSA-N	-1	3	372.531	2.456	20	30		FEEDHM
N#CCSc1ccccc1C(=O)NCc1ccc(-c2nnn[n-]2)cc1	ZINC000732085591	673353129	/nfs/dbraw/zinc/35/31/29/673353129.db2.gz	MHIFMNBQABTWAP-UHFFFAOYSA-N	-1	3	350.407	2.412	20	30		FEEDHM
N#CCSc1ccccc1C(=O)NCc1ccc(-c2nn[n-]n2)cc1	ZINC000732085591	673353134	/nfs/dbraw/zinc/35/31/34/673353134.db2.gz	MHIFMNBQABTWAP-UHFFFAOYSA-N	-1	3	350.407	2.412	20	30		FEEDHM
C[C@@H](OC(=O)c1cncc([O-])c1)C(=O)Nc1sc2c(c1C#N)CCC2	ZINC000732394005	673366337	/nfs/dbraw/zinc/36/63/37/673366337.db2.gz	HRNWVFXACTZMSK-SECBINFHSA-N	-1	3	357.391	2.393	20	30		FEEDHM
C#CCOc1ccccc1C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-]	ZINC000734151295	673454168	/nfs/dbraw/zinc/45/41/68/673454168.db2.gz	ZNPKPTPCAZDRLU-UHFFFAOYSA-N	-1	3	360.391	2.394	20	30		FEEDHM
N#CC1(CS(=O)(=O)[N-][C@@H](CO)c2cc(F)ccc2F)CCCCC1	ZINC000613926735	676153557	/nfs/dbraw/zinc/15/35/57/676153557.db2.gz	SNRTYECOAVMIEF-HNNXBMFYSA-N	-1	3	358.410	2.392	20	30		FEEDHM
COC(=O)[C@@]1([N-]S(=O)(=O)Cc2cccc(C#N)c2)CCCC(C)(C)C1	ZINC000599411589	673671762	/nfs/dbraw/zinc/67/17/62/673671762.db2.gz	HPFIWZXYNFGQAJ-GOSISDBHSA-N	-1	3	364.467	2.490	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H](C)S[C@@H](C)C2)ccc1F	ZINC000742773845	673737959	/nfs/dbraw/zinc/73/79/59/673737959.db2.gz	WRDYTWAUBWPENP-RYUDHWBXSA-N	-1	3	372.487	2.256	20	30		FEEDHM
CCN(CC)c1ncc(C=N[N-]S(=O)(=O)CCc2ccccc2)s1	ZINC000743449228	673760204	/nfs/dbraw/zinc/76/02/04/673760204.db2.gz	RJBJHIZTTJDGJD-UHFFFAOYSA-N	-1	3	366.512	2.485	20	30		FEEDHM
Cc1cc(C)n(-c2nncn2N=Cc2cc(Br)ccc2[O-])n1	ZINC000744747426	673809709	/nfs/dbraw/zinc/80/97/09/673809709.db2.gz	NENCTVVQBJJHJZ-UHFFFAOYSA-N	-1	3	361.203	2.431	20	30		FEEDHM
COc1ccc(Nc2nc(Cl)c(C=NN3CC(=O)[N-]C3=O)s2)cc1	ZINC000744810470	673812122	/nfs/dbraw/zinc/81/21/22/673812122.db2.gz	QDDUFJMBIDYRHB-UHFFFAOYSA-N	-1	3	365.802	2.434	20	30		FEEDHM
O=S(=O)(Cc1ccccc1)[N-]N=C1CCOc2cc3c(cc21)OCO3	ZINC000745592071	673842028	/nfs/dbraw/zinc/84/20/28/673842028.db2.gz	OFXRGXRULGVJBV-UHFFFAOYSA-N	-1	3	360.391	2.022	20	30		FEEDHM
C[C@@H](Sc1ccnc2cc(Cl)ccc21)C(=O)N[C@H]1CCN([O-])C1=O	ZINC000820149509	675339852	/nfs/dbraw/zinc/33/98/52/675339852.db2.gz	PPBLLZCAUAEWAY-SKDRFNHKSA-N	-1	3	365.842	2.475	20	30		FEEDHM
O=C(N[C@@H]1CCCN([O-])C1=O)c1ccccc1CSC1=NCCS1	ZINC000820482489	675365259	/nfs/dbraw/zinc/36/52/59/675365259.db2.gz	LFGBTULPEFRRKN-CYBMUJFWSA-N	-1	3	365.480	2.133	20	30		FEEDHM
Clc1nc2sccn2c1C=NNCc1ccc(-c2nn[n-]n2)cc1	ZINC000822591505	675493839	/nfs/dbraw/zinc/49/38/39/675493839.db2.gz	TVLXPCWHWAWFPO-UHFFFAOYSA-N	-1	3	358.818	2.353	20	30		FEEDHM
OC1(C(F)(F)F)CCC(=NNCc2ccc(-c3nnn[n-]3)cc2)CC1	ZINC000823699118	675567864	/nfs/dbraw/zinc/56/78/64/675567864.db2.gz	SPECKGSRRUOFBW-UHFFFAOYSA-N	-1	3	354.336	2.180	20	30		FEEDHM
OC1(C(F)(F)F)CCC(=NNCc2ccc(-c3nn[n-]n3)cc2)CC1	ZINC000823699118	675567867	/nfs/dbraw/zinc/56/78/67/675567867.db2.gz	SPECKGSRRUOFBW-UHFFFAOYSA-N	-1	3	354.336	2.180	20	30		FEEDHM
CCOc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1cccnc1C#N)CCO2	ZINC000617478105	676287749	/nfs/dbraw/zinc/28/77/49/676287749.db2.gz	FQALYYXWBZWOMA-AWEZNQCLSA-N	-1	3	359.407	2.154	20	30		FEEDHM
C=CCc1cc(C[N-]S(=O)(=O)c2c[nH]c(=O)s2)cc(OC)c1OC	ZINC000631850605	676960319	/nfs/dbraw/zinc/96/03/19/676960319.db2.gz	XTJBTCDQRRKADM-UHFFFAOYSA-N	-1	3	370.452	2.073	20	30		FEEDHM
CC(=N[N-]c1[nH+]cnc2[n-]cnc21)c1ccc(-n2cncn2)cc1Cl	ZINC000764683159	680818593	/nfs/dbraw/zinc/81/85/93/680818593.db2.gz	SDVYGUILIZHGSH-UHFFFAOYSA-N	-1	3	353.777	2.423	20	30		FEEDHM
CCCCC1N=NC(=S)N1N=Cc1ccc([O-])c(OC)c1[N+](=O)[O-]	ZINC000834922175	680282368	/nfs/dbraw/zinc/28/23/68/680282368.db2.gz	NCWRYRFAEWQLNU-UHFFFAOYSA-N	-1	3	351.388	2.414	20	30		FEEDHM
C=CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)oc1C)c1ccncc1	ZINC000754805244	680380619	/nfs/dbraw/zinc/38/06/19/680380619.db2.gz	ORYMHWHJBRQFOR-ZDUSSCGKSA-N	-1	3	350.396	2.365	20	30		FEEDHM
O=S(=O)(Cc1ccccc1)[N-]N=Cc1cnc([C@H]2CCCO2)s1	ZINC000755662396	680427414	/nfs/dbraw/zinc/42/74/14/680427414.db2.gz	OOKYKMNRQDKHJE-CQSZACIVSA-N	-1	3	351.453	2.448	20	30		FEEDHM
Cn1cc(S(=O)(=O)[N-][C@@H]2CCCc3cc(C#N)ccc32)nc1Cl	ZINC000841572428	680900759	/nfs/dbraw/zinc/90/07/59/680900759.db2.gz	NMRZFFLMIXYEMK-CYBMUJFWSA-N	-1	3	350.831	2.301	20	30		FEEDHM
CCOC(=O)Nc1ccc([N-]S(=O)(=O)C[C@H](OC)C2CC2)cc1C#N	ZINC000842585022	680953348	/nfs/dbraw/zinc/95/33/48/680953348.db2.gz	PBJQKARXVIVECZ-HNNXBMFYSA-N	-1	3	367.427	2.293	20	30		FEEDHM
COc1c(F)cc(Br)cc1S(=O)(=O)[N-][C@H](C#N)C(C)C	ZINC000768882702	680963171	/nfs/dbraw/zinc/96/31/71/680963171.db2.gz	VAJWRNWSTDJMFP-SNVBAGLBSA-N	-1	3	365.224	2.423	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)OCc2ncccc2C)ccc1F	ZINC000771899456	681073627	/nfs/dbraw/zinc/07/36/27/681073627.db2.gz	VSEBYMLSIWNGAL-UHFFFAOYSA-N	-1	3	364.398	2.350	20	30		FEEDHM
Cc1nnc(COCC([O-])=C(C#N)C(=O)C2(c3ccccc3)CC2)s1	ZINC000845844871	681156290	/nfs/dbraw/zinc/15/62/90/681156290.db2.gz	UZUZRNQBKQEYMW-AWEZNQCLSA-N	-1	3	355.419	2.373	20	30		FEEDHM
C=C[C@@H](C)O[N-]C(=O)CC[C@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O	ZINC000846544295	681257959	/nfs/dbraw/zinc/25/79/59/681257959.db2.gz	GGDWJAQTRMBKGC-ZWNOBZJWSA-N	-1	3	351.790	2.167	20	30		FEEDHM
C=C[C@H](C)O[N-]C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000846544782	681257995	/nfs/dbraw/zinc/25/79/95/681257995.db2.gz	YWZHVHZRYBLFQJ-AWEZNQCLSA-N	-1	3	352.456	2.026	20	30		FEEDHM
C=CCc1cc(C=O)cc(OC)c1OS(=O)(=O)c1c(C)n[n-]c1C	ZINC000775471689	681309355	/nfs/dbraw/zinc/30/93/55/681309355.db2.gz	VUUPCDNARWMMKG-UHFFFAOYSA-N	-1	3	350.396	2.344	20	30		FEEDHM
O=C(N[C@H]1CCCN([O-])C1=O)C1(c2cc(F)cc(Br)c2)CC1	ZINC000848132177	681478071	/nfs/dbraw/zinc/47/80/71/681478071.db2.gz	IFCFCVQDAGAYPS-LBPRGKRZSA-N	-1	3	371.206	2.116	20	30		FEEDHM
O=C(Cc1ccc(Cl)cc1Br)N[C@@H]1CCCN([O-])C1=O	ZINC000848136669	681478606	/nfs/dbraw/zinc/47/86/06/681478606.db2.gz	PMDJEGPJHVMRJZ-LLVKDONJSA-N	-1	3	361.623	2.141	20	30		FEEDHM
CCCN(C(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21)C(C)C	ZINC000848291734	681508529	/nfs/dbraw/zinc/50/85/29/681508529.db2.gz	CSXHRQGDEJRHRU-ZDUSSCGKSA-N	-1	3	351.472	2.151	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)O[C@@H]2COC(C)(C)C2)ccc1F	ZINC000849680944	681781720	/nfs/dbraw/zinc/78/17/20/681781720.db2.gz	ZGWDESDBLURIFD-LBPRGKRZSA-N	-1	3	357.403	2.014	20	30		FEEDHM
O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)OCc1sccc1Cl	ZINC000785919756	682337066	/nfs/dbraw/zinc/33/70/66/682337066.db2.gz	UGMXFPHWKBEJIW-UHFFFAOYSA-N	-1	3	370.839	2.183	20	30		FEEDHM
CCCC[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N1CC(C)(C)C1	ZINC000790230302	682661517	/nfs/dbraw/zinc/66/15/17/682661517.db2.gz	GITCPTQJEGCJIM-CQSZACIVSA-N	-1	3	363.483	2.152	20	30		FEEDHM
CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@](C)(C#N)C2)ccc1F	ZINC000856195609	682752669	/nfs/dbraw/zinc/75/26/69/682752669.db2.gz	RGXPBXZRUKGGPN-QGZVFWFLSA-N	-1	3	367.446	2.278	20	30		FEEDHM
COc1ccc(NC(=O)C(C#N)=C([O-])c2cn(C(C)C)nn2)cc1Cl	ZINC000796745810	683192280	/nfs/dbraw/zinc/19/22/80/683192280.db2.gz	MVKGHYGXXRAHRF-LLVKDONJSA-N	-1	3	361.789	2.482	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)NCc2ccoc2C)ccc1F	ZINC000919855016	683303967	/nfs/dbraw/zinc/30/39/67/683303967.db2.gz	FAJSBYXLYYIFHE-UHFFFAOYSA-N	-1	3	352.387	2.121	20	30		FEEDHM
C#CC[C@H](COC)OC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1	ZINC000861281484	683380904	/nfs/dbraw/zinc/38/09/04/683380904.db2.gz	FKMAOWQMQWDYQK-CYBMUJFWSA-N	-1	3	371.430	2.098	20	30		FEEDHM
C#CCN1CCC([N-]S(=O)(=O)c2csnc2-c2ccccc2)CC1	ZINC000921436907	683467649	/nfs/dbraw/zinc/46/76/49/683467649.db2.gz	GYRRNMAXQZEVIP-UHFFFAOYSA-N	-1	3	361.492	2.186	20	30		FEEDHM
C=CCN(Cc1c([O-])cccc1Br)[C@H]1CCS(=O)(=O)C1	ZINC000862230424	683554498	/nfs/dbraw/zinc/55/44/98/683554498.db2.gz	GUYPUSITCSDZED-NSHDSACASA-N	-1	3	360.273	2.330	20	30		FEEDHM
C=CCN(Cc1c([O-])cccc1Br)[C@@H]1CCS(=O)(=O)C1	ZINC000862230423	683554826	/nfs/dbraw/zinc/55/48/26/683554826.db2.gz	GUYPUSITCSDZED-LLVKDONJSA-N	-1	3	360.273	2.330	20	30		FEEDHM
Cc1ncc(CO)c(/C=N\Cc2ccnc(N3CCSCC3)c2)c1[O-]	ZINC000864346839	683840390	/nfs/dbraw/zinc/84/03/90/683840390.db2.gz	FHLNQFRFOVDNOS-ODLFYWEKSA-N	-1	3	358.467	2.155	20	30		FEEDHM
Cc1ncc(CO)c(/C=N/[C@H]2C[C@H](S(=O)(=O)c3ccccc3)C2)c1[O-]	ZINC000864347677	683840485	/nfs/dbraw/zinc/84/04/85/683840485.db2.gz	VZEKHXSAXJZZEU-DGOXLAIBSA-N	-1	3	360.435	2.012	20	30		FEEDHM
C#CCCNC(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21	ZINC000868252902	684470866	/nfs/dbraw/zinc/47/08/66/684470866.db2.gz	NAISMXWLRUPRES-LBPRGKRZSA-N	-1	3	353.344	2.392	20	30		FEEDHM
C=C(Cl)C[C@@H](NC(=O)c1cc(OC)c([O-])c(OC)c1)C(=O)OCC	ZINC000870030065	684677225	/nfs/dbraw/zinc/67/72/25/684677225.db2.gz	ZNELVBMVYOZHRE-LLVKDONJSA-N	-1	3	357.790	2.214	20	30		FEEDHM
C=CC(C)(C)CCC[N-]S(=O)(=O)c1cn(C)nc1Br	ZINC000872544946	684975396	/nfs/dbraw/zinc/97/53/96/684975396.db2.gz	MDSJBSHRXGGNFQ-UHFFFAOYSA-N	-1	3	350.282	2.453	20	30		FEEDHM
O=C(Nc1ccc(F)cc1OCC(F)(F)F)N[C@@H]1CCCN([O-])C1=O	ZINC000878729919	686645043	/nfs/dbraw/zinc/64/50/43/686645043.db2.gz	BKUINONECPOBJA-SNVBAGLBSA-N	-1	3	365.283	2.269	20	30		FEEDHM
O=C(Nc1ncc(Cc2ccccc2F)s1)N[C@H]1CCCN([O-])C1=O	ZINC000879583003	686863416	/nfs/dbraw/zinc/86/34/16/686863416.db2.gz	UVIGLQVVNIWWKM-ZDUSSCGKSA-N	-1	3	364.402	2.375	20	30		FEEDHM
CCOc1c(Br)cc(CN[C@@H]2CCCN([O-])C2=O)cc1OC	ZINC000895164516	689669874	/nfs/dbraw/zinc/66/98/74/689669874.db2.gz	DCSZNZFLICEKDM-GFCCVEGCSA-N	-1	3	373.247	2.326	20	30		FEEDHM
C=CCN(Cc1cccs1)C(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1	ZINC000898819000	690254644	/nfs/dbraw/zinc/25/46/44/690254644.db2.gz	ZWBOFEUPOMHSSZ-CYBMUJFWSA-N	-1	3	359.455	2.220	20	30		FEEDHM
C[C@]1(CC(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)CCS(=O)(=O)N1	ZINC000900679367	690547083	/nfs/dbraw/zinc/54/70/83/690547083.db2.gz	OIKYTGBBRZODQZ-CYBMUJFWSA-N	-1	3	367.254	2.183	20	30		FEEDHM
CC(C)(C)NS(=O)(=O)CC(=O)N([O-])Cc1cccc2ccccc21	ZINC000904171990	691009841	/nfs/dbraw/zinc/00/98/41/691009841.db2.gz	WRLNGLFFXNEYQT-UHFFFAOYSA-N	-1	3	350.440	2.276	20	30		FEEDHM
O=C(N([O-])CCCN1C(=O)c2ccccc2C1=O)C1(C(F)(F)F)CC1	ZINC000904183627	691010549	/nfs/dbraw/zinc/01/05/49/691010549.db2.gz	TWKZRKZZEZFIIA-UHFFFAOYSA-N	-1	3	356.300	2.233	20	30		FEEDHM
C[C@@H](C(=O)N([O-])Cc1ccccc1Cl)S(=O)(=O)C1CCOCC1	ZINC000904190799	691011629	/nfs/dbraw/zinc/01/16/29/691011629.db2.gz	QEVUNQLYWKFFCR-NSHDSACASA-N	-1	3	361.847	2.040	20	30		FEEDHM
C#CCn1cc(CNC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)cn1	ZINC000907788324	691561008	/nfs/dbraw/zinc/56/10/08/691561008.db2.gz	FCQQDPVSNHQPKV-UHFFFAOYSA-N	-1	3	361.427	2.250	20	30		FEEDHM
C=C(Cl)C[C@H](NC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C)C(=O)[O-]	ZINC000908859836	691742228	/nfs/dbraw/zinc/74/22/28/691742228.db2.gz	RZUKEBOYYBERNX-GJZGRUSLSA-N	-1	3	353.850	2.493	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc(OC(F)F)n(C)n1	ZINC000491009187	889385617	/nfs/dbraw/zinc/38/56/17/889385617.db2.gz	ZWKNKDJBINPKAN-UHFFFAOYSA-N	-1	3	365.340	2.182	20	30		FEEDHM
O=S(=O)(Cc1ccccc1C/N=C/c1ccccc1[O-])N1CCOCC1	ZINC000017701228	539643247	/nfs/dbraw/zinc/64/32/47/539643247.db2.gz	YRXUTXBIZDVTII-XSFVSMFZSA-N	-1	3	374.462	2.173	20	30		FEEDHM
COC(=O)C[C@@H]([N-]S(=O)(=O)c1cccc(C#N)c1)c1cccs1	ZINC000024485745	539733028	/nfs/dbraw/zinc/73/30/28/539733028.db2.gz	MNCDPEUDPVMUOG-CYBMUJFWSA-N	-1	3	350.421	2.202	20	30		FEEDHM
CCNC(=O)c1ccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1	ZINC000042104172	540051010	/nfs/dbraw/zinc/05/10/10/540051010.db2.gz	LJCAJFXYWILUKF-UHFFFAOYSA-N	-1	3	366.421	2.184	20	30		FEEDHM
CN(C)S(=O)(=O)c1ccc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)cc1	ZINC000046441074	540257308	/nfs/dbraw/zinc/25/73/08/540257308.db2.gz	VYUMIVRLOGYVGT-AWEZNQCLSA-N	-1	3	368.418	2.303	20	30		FEEDHM
Cc1cc([C@@H]2CCCN2C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)on1	ZINC000047265521	540300220	/nfs/dbraw/zinc/30/02/20/540300220.db2.gz	HWNAHZQCIGQZQW-INIZCTEOSA-N	-1	3	354.410	2.456	20	30		FEEDHM
Cc1nn(C)c2ncc(NC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)cc12	ZINC000055396143	540650641	/nfs/dbraw/zinc/65/06/41/540650641.db2.gz	WMGCGMKPHHFAIZ-UHFFFAOYSA-N	-1	3	364.409	2.025	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]C2CCN(C3CC3)CC2)c(C(F)(F)F)c1	ZINC000056007904	540694390	/nfs/dbraw/zinc/69/43/90/540694390.db2.gz	RDCRGGCXPUXKQG-UHFFFAOYSA-N	-1	3	373.400	2.482	20	30		FEEDHM
CC(=O)Nc1ccc(OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1	ZINC000060950888	541124044	/nfs/dbraw/zinc/12/40/44/541124044.db2.gz	KNUMYKLYEPMPAW-UHFFFAOYSA-N	-1	3	353.378	2.360	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCN(C)c2ccccc2C1	ZINC000068862248	541635934	/nfs/dbraw/zinc/63/59/34/541635934.db2.gz	HPUVKUVTMCCMBJ-UHFFFAOYSA-N	-1	3	364.449	2.275	20	30		FEEDHM
N#Cc1cc([N+](=O)[O-])ccc1N1CCN(C(=O)c2cccc([O-])c2)CC1	ZINC000060355995	132303709	/nfs/dbraw/zinc/30/37/09/132303709.db2.gz	MSULVPZNJUYYGN-UHFFFAOYSA-N	-1	3	352.350	2.134	20	30		FEEDHM
Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NCc1ccc(C#N)cc1F	ZINC000105601027	543177774	/nfs/dbraw/zinc/17/77/74/543177774.db2.gz	GYESGCSFHKXCSQ-UHFFFAOYSA-N	-1	3	365.368	2.080	20	30		FEEDHM
C=C(C)CN1CCC(NC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)CC1	ZINC000106035533	543186195	/nfs/dbraw/zinc/18/61/95/543186195.db2.gz	MMEQNIWUMZOSES-UHFFFAOYSA-N	-1	3	371.485	2.141	20	30		FEEDHM
N#C[C@@H]1CN(C(=O)c2c[n-]c3ccccc3c2=O)CCN1Cc1ccccc1	ZINC000114441242	543515692	/nfs/dbraw/zinc/51/56/92/543515692.db2.gz	KGFFRZIBILAJAP-QGZVFWFLSA-N	-1	3	372.428	2.378	20	30		FEEDHM
N#C[C@H]1CN(Cc2cc3c(cc2[O-])OCO3)CCN1Cc1ccccc1	ZINC000114445745	543516232	/nfs/dbraw/zinc/51/62/32/543516232.db2.gz	HEXNDZFEIJNLCL-KRWDZBQOSA-N	-1	3	351.406	2.331	20	30		FEEDHM
C=CC[C@@H](C)NC(=O)C(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1	ZINC000117078318	543623587	/nfs/dbraw/zinc/62/35/87/543623587.db2.gz	OVSPLSQRHBSHLW-GFCCVEGCSA-N	-1	3	354.410	2.019	20	30		FEEDHM
C=CCCS(=O)(=O)[N-]c1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1	ZINC000120101241	543675600	/nfs/dbraw/zinc/67/56/00/543675600.db2.gz	AONVDXSWJKSMLH-KBPBESRZSA-N	-1	3	352.456	2.254	20	30		FEEDHM
N#Cc1ccc(C(=O)NCC(=O)Nc2cc(Br)ccc2[O-])cc1	ZINC000126520630	543941147	/nfs/dbraw/zinc/94/11/47/543941147.db2.gz	RQPCBJUIMAAXOJ-UHFFFAOYSA-N	-1	3	374.194	2.395	20	30		FEEDHM
CCC1(CC)[C@H](OC)C[C@@H]1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000127003597	543967629	/nfs/dbraw/zinc/96/76/29/543967629.db2.gz	WSXYHLXYYVJIAO-LSDHHAIUSA-N	-1	3	367.427	2.338	20	30		FEEDHM
CCCOc1ccc(/C=N/C[C@H]2CCC[C@@H]2NS(C)(=O)=O)c([O-])c1	ZINC000129371120	544108371	/nfs/dbraw/zinc/10/83/71/544108371.db2.gz	IPVRNEBLJFEVPW-QHQMAFQBSA-N	-1	3	354.472	2.318	20	30		FEEDHM
N#CCCCS(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)OC1CCCC1	ZINC000134609467	544315164	/nfs/dbraw/zinc/31/51/64/544315164.db2.gz	AZRGKZXBXMPWOH-KRWDZBQOSA-N	-1	3	364.467	2.307	20	30		FEEDHM
CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C#N)cc2F)c1	ZINC000135376731	544344683	/nfs/dbraw/zinc/34/46/83/544344683.db2.gz	PKGRCCHNQPRMMV-UHFFFAOYSA-N	-1	3	368.411	2.292	20	30		FEEDHM
N#CCC[C@@H](NC(=O)C[N-]S(=O)(=O)c1cccs1)c1ccccc1	ZINC000153307989	544759706	/nfs/dbraw/zinc/75/97/06/544759706.db2.gz	HTNNHSJQKSUNIB-CQSZACIVSA-N	-1	3	363.464	2.188	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2F)cc1Cl	ZINC000084650617	325242034	/nfs/dbraw/zinc/24/20/34/325242034.db2.gz	YAGWFRIADLDMRP-UHFFFAOYSA-N	-1	3	353.762	2.250	20	30		FEEDHM
Cn1ccnc1-c1cc(NC(=O)C(C)(C)Oc2ccc(C#N)cc2)n[n-]1	ZINC000119779046	326197327	/nfs/dbraw/zinc/19/73/27/326197327.db2.gz	MKASLNXGVHYYRE-UHFFFAOYSA-N	-1	3	350.382	2.478	20	30		FEEDHM
Cn1ccnc1-c1cc(NC(=O)C(C)(C)Oc2ccc(C#N)cc2)[n-]n1	ZINC000119779046	326197331	/nfs/dbraw/zinc/19/73/31/326197331.db2.gz	MKASLNXGVHYYRE-UHFFFAOYSA-N	-1	3	350.382	2.478	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCC[C@@H](O)C2)c(C(F)(F)F)c1	ZINC000121847458	326371704	/nfs/dbraw/zinc/37/17/04/326371704.db2.gz	HFGBUMVIVKXVJO-NWDGAFQWSA-N	-1	3	362.373	2.406	20	30		FEEDHM
Cc1nn(C)c(C)c1C[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1C#N	ZINC000122277867	326390804	/nfs/dbraw/zinc/39/08/04/326390804.db2.gz	ZDILBAXXWOKJQS-SNVBAGLBSA-N	-1	3	366.874	2.472	20	30		FEEDHM
N#Cc1cc(F)ccc1S(=O)(=O)[N-]C[C@@H]1CC(=O)Nc2ccccc21	ZINC000125165988	326466595	/nfs/dbraw/zinc/46/65/95/326466595.db2.gz	QQYLLDGOVKIGMP-LBPRGKRZSA-N	-1	3	359.382	2.102	20	30		FEEDHM
Cc1c(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)cnn1C	ZINC000152615542	326711948	/nfs/dbraw/zinc/71/19/48/326711948.db2.gz	BDSXGAWSBLTTBV-UHFFFAOYSA-N	-1	3	358.345	2.098	20	30		FEEDHM
N#Cc1cc(F)ccc1NC(=O)NCCCNC(=O)c1cccc([O-])c1	ZINC000161844978	327010339	/nfs/dbraw/zinc/01/03/39/327010339.db2.gz	BWOSWZJZXOQEOL-UHFFFAOYSA-N	-1	3	356.357	2.345	20	30		FEEDHM
CCc1nn(C)c(CC)c1C[N-]S(=O)(=O)c1ccc(C#N)cc1F	ZINC000167642214	327085577	/nfs/dbraw/zinc/08/55/77/327085577.db2.gz	YRUYUWKPKPUSRE-UHFFFAOYSA-N	-1	3	350.419	2.034	20	30		FEEDHM
COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C	ZINC000253586921	328799963	/nfs/dbraw/zinc/79/99/63/328799963.db2.gz	BWWBUAUSUWKTOV-JOQOYGCGSA-N	-1	3	371.437	2.008	20	30		FEEDHM
N#Cc1cc([N+](=O)[O-])cnc1N1CCC(C(=O)Nc2ccccc2[O-])CC1	ZINC000266419536	329221111	/nfs/dbraw/zinc/22/11/11/329221111.db2.gz	FFVQRLKFDQTNPF-UHFFFAOYSA-N	-1	3	367.365	2.422	20	30		FEEDHM
CCO[C@@H]1C[C@H](NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)[C@]12CCCO2	ZINC000274005066	329908202	/nfs/dbraw/zinc/90/82/02/329908202.db2.gz	PVUDGDBTMQRHSR-SQGPQFPESA-N	-1	3	373.453	2.051	20	30		FEEDHM
C[C@@H](COCC(F)(F)F)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl	ZINC000274617819	329965066	/nfs/dbraw/zinc/96/50/66/329965066.db2.gz	JUEXAKIPBHWZCX-QMMMGPOBSA-N	-1	3	356.753	2.457	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc(-n3ccnc3)c(F)c2)s1	ZINC000367098738	330216811	/nfs/dbraw/zinc/21/68/11/330216811.db2.gz	HVZMUMNSJMJMLG-UHFFFAOYSA-N	-1	3	362.411	2.423	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc(CO)c(F)c2)c(Cl)c1	ZINC000183688070	518196638	/nfs/dbraw/zinc/19/66/38/518196638.db2.gz	HIEUWTSFVYHINF-UHFFFAOYSA-N	-1	3	354.790	2.322	20	30		FEEDHM
Cc1nc(NCC[N-]S(=O)(=O)c2ccc(Cl)s2)ccc1C#N	ZINC000488122327	538718256	/nfs/dbraw/zinc/71/82/56/538718256.db2.gz	HGTPHQUKKOVVQV-UHFFFAOYSA-N	-1	3	356.860	2.367	20	30		FEEDHM
CN(CCC[N-]S(=O)(=O)c1ccc(Cl)cc1C#N)CC(F)(F)F	ZINC000156498170	545632165	/nfs/dbraw/zinc/63/21/65/545632165.db2.gz	OTGWRBMXSUILKQ-UHFFFAOYSA-N	-1	3	369.796	2.374	20	30		FEEDHM
N#Cc1c(Cl)cccc1S(=O)(=O)[N-]Cc1cccc2c1OCO2	ZINC000156684393	545648244	/nfs/dbraw/zinc/64/82/44/545648244.db2.gz	LKEDHHFRSQGSEX-UHFFFAOYSA-N	-1	3	350.783	2.419	20	30		FEEDHM
CC(C)(C)CN(CCC#N)C(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1	ZINC000158712045	545887245	/nfs/dbraw/zinc/88/72/45/545887245.db2.gz	NJHXZHVKNTYCQT-LJQANCHMSA-N	-1	3	356.426	2.143	20	30		FEEDHM
N#Cc1cc(NC(=O)NCCCNC(=O)c2cccc([O-])c2)ccc1F	ZINC000159523332	545960564	/nfs/dbraw/zinc/96/05/64/545960564.db2.gz	BBHRGCVQDWMEKW-UHFFFAOYSA-N	-1	3	356.357	2.345	20	30		FEEDHM
CCCn1c(=O)[n-]c(=O)c2c(C(=O)NCCCCC#N)cc(C(C)C)nc21	ZINC000171593356	546215000	/nfs/dbraw/zinc/21/50/00/546215000.db2.gz	KYUZFXWRVBZXSX-UHFFFAOYSA-N	-1	3	371.441	2.042	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]Cc2nnc(C3CC3)o2)c(C(F)(F)F)c1	ZINC000479315331	561187081	/nfs/dbraw/zinc/18/70/81/561187081.db2.gz	MTSXVVNFGDLJOF-UHFFFAOYSA-N	-1	3	372.328	2.316	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)CC(C)(C)OC)ccc1F	ZINC000173875464	546288342	/nfs/dbraw/zinc/28/83/42/546288342.db2.gz	QSBINANNHBLIDT-LBPRGKRZSA-N	-1	3	372.462	2.223	20	30		FEEDHM
C=CCN1CCC([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])CC1	ZINC000178333608	546777061	/nfs/dbraw/zinc/77/70/61/546777061.db2.gz	VBJINHJWWUQXBZ-UHFFFAOYSA-N	-1	3	353.444	2.140	20	30		FEEDHM
COc1ccc(OC)c(CC[N-]S(=O)(=O)c2ccc(F)cc2C#N)c1	ZINC000178520003	546807558	/nfs/dbraw/zinc/80/75/58/546807558.db2.gz	BVXQBIQOWSFNRQ-UHFFFAOYSA-N	-1	3	364.398	2.236	20	30		FEEDHM
COc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@H](C)CC#N	ZINC000183607850	547688771	/nfs/dbraw/zinc/68/87/71/547688771.db2.gz	MSKCEQLQNVIJMX-SSDOTTSWSA-N	-1	3	351.197	2.177	20	30		FEEDHM
C=CCC[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]C)nc1)c1ccccc1	ZINC000186199899	548098563	/nfs/dbraw/zinc/09/85/63/548098563.db2.gz	JMMQZNARENPODW-MRXNPFEDSA-N	-1	3	359.451	2.427	20	30		FEEDHM
C[C@H](CC#N)[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1	ZINC000186808909	548197663	/nfs/dbraw/zinc/19/76/63/548197663.db2.gz	CRVSEHSIQAPGET-VXGBXAGGSA-N	-1	3	358.847	2.336	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCSC[C@@H](C)C2)ccc1F	ZINC000191566082	548348010	/nfs/dbraw/zinc/34/80/10/548348010.db2.gz	VNRYLVRMGGXANN-LBPRGKRZSA-N	-1	3	372.487	2.115	20	30		FEEDHM
C=CC[C@@H](CO)[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1	ZINC000192229651	548361385	/nfs/dbraw/zinc/36/13/85/548361385.db2.gz	FYAWJQGJVKDZIV-QMMMGPOBSA-N	-1	3	354.653	2.318	20	30		FEEDHM
C[C@@H](CO[N-]C(=O)Cc1cccc(OCC#N)c1)NC(=O)OC(C)(C)C	ZINC000273125190	550486126	/nfs/dbraw/zinc/48/61/26/550486126.db2.gz	UATLSJJLNHUPNB-ZDUSSCGKSA-N	-1	3	363.414	2.092	20	30		FEEDHM
CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)[N-]CCCC#N)s1	ZINC000273440508	550498628	/nfs/dbraw/zinc/49/86/28/550498628.db2.gz	BRURECMKNFEXKK-UHFFFAOYSA-N	-1	3	357.501	2.035	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-]C[C@@H](c1ccco1)N1CCCCC1	ZINC000276973702	550617110	/nfs/dbraw/zinc/61/71/10/550617110.db2.gz	GCLGCJZOINFGPZ-HNNXBMFYSA-N	-1	3	360.439	2.052	20	30		FEEDHM
CCOC(=O)c1nnc(C2CCN(c3ccc([N+](=O)[O-])cc3C#N)CC2)[n-]1	ZINC000277806433	550716248	/nfs/dbraw/zinc/71/62/48/550716248.db2.gz	HMGNDMNAXUYPEG-UHFFFAOYSA-N	-1	3	370.369	2.145	20	30		FEEDHM
CCOC(=O)c1nc(C2CCN(c3ccc([N+](=O)[O-])cc3C#N)CC2)n[n-]1	ZINC000277806433	550716250	/nfs/dbraw/zinc/71/62/50/550716250.db2.gz	HMGNDMNAXUYPEG-UHFFFAOYSA-N	-1	3	370.369	2.145	20	30		FEEDHM
CCOC(=O)c1n[n-]c(C2CCN(c3ccc([N+](=O)[O-])cc3C#N)CC2)n1	ZINC000277806433	550716251	/nfs/dbraw/zinc/71/62/51/550716251.db2.gz	HMGNDMNAXUYPEG-UHFFFAOYSA-N	-1	3	370.369	2.145	20	30		FEEDHM
CCOC(=O)c1nnc(C2CCN(C(=O)Nc3ccc(C#N)cc3)CC2)[n-]1	ZINC000278014370	550738992	/nfs/dbraw/zinc/73/89/92/550738992.db2.gz	VRZSGIJYGRLAQD-UHFFFAOYSA-N	-1	3	368.397	2.265	20	30		FEEDHM
CCOC(=O)c1nc(C2CCN(C(=O)Nc3ccc(C#N)cc3)CC2)n[n-]1	ZINC000278014370	550738994	/nfs/dbraw/zinc/73/89/94/550738994.db2.gz	VRZSGIJYGRLAQD-UHFFFAOYSA-N	-1	3	368.397	2.265	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1	ZINC000279465655	550893489	/nfs/dbraw/zinc/89/34/89/550893489.db2.gz	WJOVPAMPUMSTEX-VHPWJVAPSA-N	-1	3	373.453	2.003	20	30		FEEDHM
C=C(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1ccc(Cl)cc1C(=O)OC	ZINC000280500922	551000825	/nfs/dbraw/zinc/00/08/25/551000825.db2.gz	CBECVOZQGHGXBR-XHDPSFHLSA-N	-1	3	373.858	2.386	20	30		FEEDHM
C=CC[C@@H](CC)[N-]S(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl	ZINC000281454261	551099298	/nfs/dbraw/zinc/09/92/98/551099298.db2.gz	IBGBIDHSBNTLLC-MRVPVSSYSA-N	-1	3	357.906	2.438	20	30		FEEDHM
N#CC1CCC(CNC(=O)CNC(=O)c2c[n-]c3ccccc3c2=O)CC1	ZINC000282409698	551224628	/nfs/dbraw/zinc/22/46/28/551224628.db2.gz	SDJMFUWVJAELAI-UHFFFAOYSA-N	-1	3	366.421	2.116	20	30		FEEDHM
CC[C@@H](CC#N)[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)N(C)C)c1OC	ZINC000284267419	551511044	/nfs/dbraw/zinc/51/10/44/551511044.db2.gz	LFXYCJLSYKVFGZ-NSHDSACASA-N	-1	3	373.862	2.021	20	30		FEEDHM
CCNC(=O)C[C@H]1CCCCN1C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C	ZINC000284780812	551631409	/nfs/dbraw/zinc/63/14/09/551631409.db2.gz	FEMATSGAPFDMLN-OAHLLOKOSA-N	-1	3	372.469	2.116	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-]Cc1c(F)cccc1N1CCCC1	ZINC000285626218	551785228	/nfs/dbraw/zinc/78/52/28/551785228.db2.gz	NDQXMVSVEKEPAF-UHFFFAOYSA-N	-1	3	360.414	2.171	20	30		FEEDHM
C=CCOc1ccc(C[N-]S(=O)(=O)c2c(C)nn(C)c2Cl)cc1	ZINC000285747103	551804571	/nfs/dbraw/zinc/80/45/71/551804571.db2.gz	VJRACGAVXDCCHS-UHFFFAOYSA-N	-1	3	355.847	2.425	20	30		FEEDHM
C[C@@H]1COCC[C@H]1C[N-]S(=O)(=O)c1cccc(Br)c1C#N	ZINC000286861458	551934270	/nfs/dbraw/zinc/93/42/70/551934270.db2.gz	XYINVWCXMJUNGQ-MNOVXSKESA-N	-1	3	373.272	2.272	20	30		FEEDHM
Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1	ZINC000287614471	552025565	/nfs/dbraw/zinc/02/55/65/552025565.db2.gz	SQHWGAWUECIKJM-UHFFFAOYSA-N	-1	3	371.372	2.062	20	30		FEEDHM
C[C@@H](CO)CCC[N-]S(=O)(=O)c1cccc(Br)c1C#N	ZINC000287937266	552065559	/nfs/dbraw/zinc/06/55/59/552065559.db2.gz	VNTMKSSOGJECES-SNVBAGLBSA-N	-1	3	361.261	2.008	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)NCC(C)(C)COCC)ccc1F	ZINC000289300127	552297246	/nfs/dbraw/zinc/29/72/46/552297246.db2.gz	VFVZDAJHIIYIKU-UHFFFAOYSA-N	-1	3	372.462	2.083	20	30		FEEDHM
N#Cc1ccc(CNC(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cc1	ZINC000290760699	552533585	/nfs/dbraw/zinc/53/35/85/552533585.db2.gz	UHOBXLWPPJHOOL-CQSZACIVSA-N	-1	3	368.359	2.158	20	30		FEEDHM
N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H](CO)Cc1ccc(F)cc1	ZINC000501161275	561591530	/nfs/dbraw/zinc/59/15/30/561591530.db2.gz	FROBLLWPSLNPKJ-ZDUSSCGKSA-N	-1	3	368.817	2.233	20	30		FEEDHM
CN(C)C(=O)COc1ccc(C(F)(F)C(=O)[N-][C@@]2(C#N)CC2(C)C)cc1	ZINC000291404302	552621257	/nfs/dbraw/zinc/62/12/57/552621257.db2.gz	IEAFAPYQSAPZQC-QGZVFWFLSA-N	-1	3	365.380	2.054	20	30		FEEDHM
Cn1c2cc([O-])c(NC(=O)c3ccc(C4(C#N)CC4)cc3)cc2n(C)c1=O	ZINC000291629720	552645481	/nfs/dbraw/zinc/64/54/81/552645481.db2.gz	URWBPYIQURCVMN-UHFFFAOYSA-N	-1	3	362.389	2.390	20	30		FEEDHM
CC[C@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2ccc(C#N)c(F)c2)n[nH]1	ZINC000292589100	552740919	/nfs/dbraw/zinc/74/09/19/552740919.db2.gz	MJIWULLJAXQBKA-UWVGGRQHSA-N	-1	3	351.407	2.368	20	30		FEEDHM
CO[C@H](C)c1nc(C[N-]S(=O)(=O)c2ccc(C#N)c(F)c2)cs1	ZINC000292800198	552759524	/nfs/dbraw/zinc/75/95/24/552759524.db2.gz	ZFFHLZAJXYMREV-SECBINFHSA-N	-1	3	355.416	2.340	20	30		FEEDHM
C[C@@H](C#N)N(C)C(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C(C)(C)C)c1	ZINC000294457315	552907462	/nfs/dbraw/zinc/90/74/62/552907462.db2.gz	SZRBZTXKSGFAJW-JTQLQIEISA-N	-1	3	357.863	2.401	20	30		FEEDHM
C[C@H](C#N)N(C)C(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C(C)(C)C)c1	ZINC000294457322	552907546	/nfs/dbraw/zinc/90/75/46/552907546.db2.gz	SZRBZTXKSGFAJW-SNVBAGLBSA-N	-1	3	357.863	2.401	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@]2(CCCO2)[C@H]1C1CC1	ZINC000294753466	552931782	/nfs/dbraw/zinc/93/17/82/552931782.db2.gz	IVPVTHNEAAIYQR-UYAOXDASSA-N	-1	3	355.438	2.378	20	30		FEEDHM
N#Cc1cnc(N2CCC(C(=O)Nc3ccccc3[O-])CC2)c([N+](=O)[O-])c1	ZINC000296672783	553196355	/nfs/dbraw/zinc/19/63/55/553196355.db2.gz	ZPCNYNAYHHEDCE-UHFFFAOYSA-N	-1	3	367.365	2.422	20	30		FEEDHM
COCCOc1ccc(C#N)cc1NC(=O)c1cc(F)cc2[n-]nnc21	ZINC000502824789	561626551	/nfs/dbraw/zinc/62/65/51/561626551.db2.gz	IODRRGYUQJDVBS-UHFFFAOYSA-N	-1	3	355.329	2.246	20	30		FEEDHM
COCCOc1ccc(C#N)cc1NC(=O)c1cc(F)cc2nn[n-]c21	ZINC000502824789	561626552	/nfs/dbraw/zinc/62/65/52/561626552.db2.gz	IODRRGYUQJDVBS-UHFFFAOYSA-N	-1	3	355.329	2.246	20	30		FEEDHM
COCCOc1ccc(C#N)cc1NC(=O)c1cc(F)cc2n[n-]nc21	ZINC000502824789	561626553	/nfs/dbraw/zinc/62/65/53/561626553.db2.gz	IODRRGYUQJDVBS-UHFFFAOYSA-N	-1	3	355.329	2.246	20	30		FEEDHM
C=CCN(Cc1ccccc1F)C(=O)c1cncc([N-]S(C)(=O)=O)c1	ZINC000502845357	561627410	/nfs/dbraw/zinc/62/74/10/561627410.db2.gz	VBYMKWZXBNFIOV-UHFFFAOYSA-N	-1	3	363.414	2.421	20	30		FEEDHM
Cc1ncc(CO)c(/C=N/Cc2cccc(CN3CCCC3=O)c2)c1[O-]	ZINC000298445386	553425583	/nfs/dbraw/zinc/42/55/83/553425583.db2.gz	WNLIDFGEDQVCLU-SRZZPIQSSA-N	-1	3	353.422	2.329	20	30		FEEDHM
Cn1cc(I)c(=NC(=O)[C@]2(C#N)CC23CCCC3)[n-]1	ZINC000602384795	553573633	/nfs/dbraw/zinc/57/36/33/553573633.db2.gz	ALZLAJDGJLMZKN-CYBMUJFWSA-N	-1	3	370.194	2.437	20	30		FEEDHM
CC(C)(C(=O)NCc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1)N1CCOCC1	ZINC000328699865	553809238	/nfs/dbraw/zinc/80/92/38/553809238.db2.gz	VWFPXVFCFKRBBK-IBGZPJMESA-N	-1	3	374.441	2.353	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@@H]1CCO[C@H]1C1CC1	ZINC000328869207	553835841	/nfs/dbraw/zinc/83/58/41/553835841.db2.gz	HMWDSOPLTJXBAN-ZBINZKHDSA-N	-1	3	356.419	2.017	20	30		FEEDHM
COc1cc(NC(=O)[C@@H]2CCCN2C2CC2)ccc1[N-]S(C)(=O)=O	ZINC000330251607	554093634	/nfs/dbraw/zinc/09/36/34/554093634.db2.gz	HTWXOIMBDGGFAA-AWEZNQCLSA-N	-1	3	353.444	2.282	20	30		FEEDHM
CCN(C[C@H](C)C#N)S(=O)(=O)[N-][C@H](C)c1nc(C2CCCCC2)no1	ZINC000330383897	554114515	/nfs/dbraw/zinc/11/45/15/554114515.db2.gz	KEYIZIQJDDQNMV-CHWSQXEVSA-N	-1	3	369.491	2.494	20	30		FEEDHM
N#Cc1c(Br)cccc1S(=O)(=O)[N-]C[C@@H]1CCCS1	ZINC000330663869	554153330	/nfs/dbraw/zinc/15/33/30/554153330.db2.gz	FKJCJCZEGDJRPD-VIFPVBQESA-N	-1	3	361.286	2.495	20	30		FEEDHM
N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@H]1CCCC[C@@H]1CO	ZINC000330670820	554154937	/nfs/dbraw/zinc/15/49/37/554154937.db2.gz	BYNFKJCIVOXLDS-MFKMUULPSA-N	-1	3	373.272	2.150	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1n[nH]c(-c2ccncc2)n1	ZINC000364015575	555233790	/nfs/dbraw/zinc/23/37/90/555233790.db2.gz	VYYSDTJEVGTFHF-UHFFFAOYSA-N	-1	3	363.381	2.027	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CC3(C2)CCCC3)ccc1F	ZINC000364445953	555315627	/nfs/dbraw/zinc/31/56/27/555315627.db2.gz	HWVVTWLMKKLCGX-UHFFFAOYSA-N	-1	3	352.431	2.306	20	30		FEEDHM
N#CC1(NC(=O)c2ccc(O)cc2[O-])CCN(Cc2ccccc2)CC1	ZINC000365392085	555562698	/nfs/dbraw/zinc/56/26/98/555562698.db2.gz	GPCYWQFTMMGXMY-UHFFFAOYSA-N	-1	3	351.406	2.386	20	30		FEEDHM
N#Cc1cccc(CS(=O)(=O)[N-]Cc2nc(-c3cccc(F)c3)no2)c1	ZINC000365957360	555711004	/nfs/dbraw/zinc/71/10/04/555711004.db2.gz	WJEKNEQUWWWFFL-UHFFFAOYSA-N	-1	3	372.381	2.367	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]C2(c3noc(C(F)F)n3)CCC2)s1	ZINC000366201629	555779565	/nfs/dbraw/zinc/77/95/65/555779565.db2.gz	GNWNEPWMRRVHJI-UHFFFAOYSA-N	-1	3	360.367	2.298	20	30		FEEDHM
Cc1oc(C#N)cc1C(=O)NC1CCN(C(=O)c2cccc([O-])c2)CC1	ZINC000370469130	556882244	/nfs/dbraw/zinc/88/22/44/556882244.db2.gz	NVUHZESRSDOIEY-UHFFFAOYSA-N	-1	3	353.378	2.200	20	30		FEEDHM
COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C)c1ccc(OC)cc1	ZINC000516942086	562066422	/nfs/dbraw/zinc/06/64/22/562066422.db2.gz	ZNMQRLWOJVXJLB-QGZVFWFLSA-N	-1	3	374.418	2.068	20	30		FEEDHM
CC1(C)C[C@@]1(C#N)[N-]S(=O)(=O)c1cc(Br)cc2c1OCC2	ZINC000519573046	562135280	/nfs/dbraw/zinc/13/52/80/562135280.db2.gz	SSZNHRRDCLZDCV-AWEZNQCLSA-N	-1	3	371.256	2.355	20	30		FEEDHM
N#CCCCS(=O)(=O)[N-]Cc1noc(-c2ccc(Cl)cc2F)n1	ZINC000373301724	557668903	/nfs/dbraw/zinc/66/89/03/557668903.db2.gz	FQNPVKHBAFSHOO-UHFFFAOYSA-N	-1	3	358.782	2.252	20	30		FEEDHM
C=C(C)C[C@@H](C)C(=O)N1CCC[C@@H](c2n[nH]cc2[N-]S(C)(=O)=O)C1	ZINC000373361690	557679193	/nfs/dbraw/zinc/67/91/93/557679193.db2.gz	LNITULHFWWJFMR-CHWSQXEVSA-N	-1	3	354.476	2.090	20	30		FEEDHM
C=C(C)C[C@@H](C)C(=O)N1CCC[C@@H](c2[nH]ncc2[N-]S(C)(=O)=O)C1	ZINC000373361690	557679196	/nfs/dbraw/zinc/67/91/96/557679196.db2.gz	LNITULHFWWJFMR-CHWSQXEVSA-N	-1	3	354.476	2.090	20	30		FEEDHM
N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@@H]1CCO[C@H]1C1CC1	ZINC000376388449	558166722	/nfs/dbraw/zinc/16/67/22/558166722.db2.gz	YORKQSYOQFOHPT-OCCSQVGLSA-N	-1	3	371.256	2.167	20	30		FEEDHM
CC(C)c1nn([C@@H]2CCS(=O)(=O)C2)cc1C([O-])=C(C#N)c1ccccn1	ZINC000525277165	562244859	/nfs/dbraw/zinc/24/48/59/562244859.db2.gz	RWNKIFYCDLTIQC-ZIAGYGMSSA-N	-1	3	372.450	2.251	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]CCc2nc(-c3ccccc3)n[nH]2)c(F)c1	ZINC000525895092	562258813	/nfs/dbraw/zinc/25/88/13/562258813.db2.gz	XBYCAHUWKGBIFM-UHFFFAOYSA-N	-1	3	371.397	2.003	20	30		FEEDHM
Cc1nccn1C[C@@H](C)C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl	ZINC000414459591	559165582	/nfs/dbraw/zinc/16/55/82/559165582.db2.gz	BOVMRPQDAMTNDM-NSHDSACASA-N	-1	3	352.847	2.331	20	30		FEEDHM
N#Cc1ccc(Br)cc1S(=O)(=O)[N-]C[C@@H]1CCCOC1	ZINC000416375943	559308407	/nfs/dbraw/zinc/30/84/07/559308407.db2.gz	XAVOKSUZMMPSMF-JTQLQIEISA-N	-1	3	359.245	2.026	20	30		FEEDHM
CO[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(Br)ccc1C#N	ZINC000416492774	559317327	/nfs/dbraw/zinc/31/73/27/559317327.db2.gz	FFZCLODUSZLFES-VXGBXAGGSA-N	-1	3	359.245	2.167	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](CO)C2)c(C(F)(F)F)c1	ZINC000416645490	559327216	/nfs/dbraw/zinc/32/72/16/559327216.db2.gz	UOJZANWYWZWJKD-VXGBXAGGSA-N	-1	3	362.373	2.406	20	30		FEEDHM
N#Cc1cc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2F)ccc1Cl	ZINC000425984558	559726826	/nfs/dbraw/zinc/72/68/26/559726826.db2.gz	JDUSBRQADNSTMB-UHFFFAOYSA-N	-1	3	353.762	2.250	20	30		FEEDHM
CC(C)Oc1ccc(NC(=O)CNC(=O)c2cccc([O-])c2)cc1C#N	ZINC000427778975	559762228	/nfs/dbraw/zinc/76/22/28/559762228.db2.gz	KKKHXJYFQMMPIN-UHFFFAOYSA-N	-1	3	353.378	2.420	20	30		FEEDHM
CC(C)OC(=O)C[C@H]([N-]S(=O)(=O)c1cccnc1C#N)c1ccccc1	ZINC000428268778	559772614	/nfs/dbraw/zinc/77/26/14/559772614.db2.gz	NDMWQZNGIHPZSA-HNNXBMFYSA-N	-1	3	373.434	2.315	20	30		FEEDHM
CSCc1cc(F)ccc1C[N-]S(=O)(=O)c1cccnc1C#N	ZINC000428396506	559774633	/nfs/dbraw/zinc/77/46/33/559774633.db2.gz	HHPNJUKUAQGWSY-UHFFFAOYSA-N	-1	3	351.428	2.434	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-][C@H]1CCN(c2ccc(Cl)cc2)C1	ZINC000428409754	559775111	/nfs/dbraw/zinc/77/51/11/559775111.db2.gz	WJAXWKLFVMUGBG-ZDUSSCGKSA-N	-1	3	362.842	2.164	20	30		FEEDHM
CCC[C@@H](C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C(=O)OCC	ZINC000433466480	559882367	/nfs/dbraw/zinc/88/23/67/559882367.db2.gz	BLERHZMLYDKNEH-LBPRGKRZSA-N	-1	3	358.847	2.469	20	30		FEEDHM
CC1(C)CCCN(C(=O)CCn2[n-]c(=O)c3ccccc3c2=O)[C@H]1C#N	ZINC000434023104	559892564	/nfs/dbraw/zinc/89/25/64/559892564.db2.gz	SZTPQUBVBAUDCN-HNNXBMFYSA-N	-1	3	354.410	2.033	20	30		FEEDHM
C[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C#N)s2)C(=O)N1c1ccccc1	ZINC000435439689	559923300	/nfs/dbraw/zinc/92/33/00/559923300.db2.gz	WIWBHCHAXOTIPJ-RISCZKNCSA-N	-1	3	361.448	2.092	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]CCCc2ccc3c(c2)OCCO3)s1	ZINC000435444680	559923440	/nfs/dbraw/zinc/92/34/40/559923440.db2.gz	ZAAKGBMCNIFFQQ-UHFFFAOYSA-N	-1	3	364.448	2.302	20	30		FEEDHM
C=C(C)[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1ccc(Br)cn1	ZINC000435599599	559925832	/nfs/dbraw/zinc/92/58/32/559925832.db2.gz	XJEBBEFNFGZKRM-GWCFXTLKSA-N	-1	3	361.261	2.104	20	30		FEEDHM
Cc1cc(S(=O)(=O)[N-]c2cc(S(C)(=O)=O)ccc2F)ccc1C#N	ZINC000435753948	559929574	/nfs/dbraw/zinc/92/95/74/559929574.db2.gz	UAWIQTIOSKBRBP-UHFFFAOYSA-N	-1	3	368.411	2.210	20	30		FEEDHM
N#Cc1ccc2c(c1)N(C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])CC2	ZINC000436715995	559949881	/nfs/dbraw/zinc/94/98/81/559949881.db2.gz	RHGNTPBKMJDZPH-QGZVFWFLSA-N	-1	3	361.401	2.458	20	30		FEEDHM
CC(=O)c1ccc(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cc1[O-]	ZINC000436841492	559953821	/nfs/dbraw/zinc/95/38/21/559953821.db2.gz	AVNHBDVKFBYFRC-UHFFFAOYSA-N	-1	3	363.417	2.424	20	30		FEEDHM
Cn1nnnc1-c1cccc(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)c1	ZINC000437923117	559971577	/nfs/dbraw/zinc/97/15/77/559971577.db2.gz	WTZZCRIWINCBCK-UHFFFAOYSA-N	-1	3	374.813	2.203	20	30		FEEDHM
CCC(CC)[C@H](C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)N(C)C	ZINC000440070864	560004270	/nfs/dbraw/zinc/00/42/70/560004270.db2.gz	AGJTWLMHVFXZJQ-HNNXBMFYSA-N	-1	3	359.442	2.481	20	30		FEEDHM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H]1CCc2ccccc2C1	ZINC000443038598	560067110	/nfs/dbraw/zinc/06/71/10/560067110.db2.gz	PAEABJDWQQSKRW-AWEZNQCLSA-N	-1	3	357.391	2.302	20	30		FEEDHM
C[C@H]1CCC[C@H](C)N1CC[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000443063289	560068727	/nfs/dbraw/zinc/06/87/27/560068727.db2.gz	ACWIEYGWDIMNRL-STQMWFEESA-N	-1	3	366.443	2.008	20	30		FEEDHM
N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H](CO)c1ccc(F)cc1	ZINC000443273469	560077136	/nfs/dbraw/zinc/07/71/36/560077136.db2.gz	OJSLGGLCDHTFIO-AWEZNQCLSA-N	-1	3	354.790	2.363	20	30		FEEDHM
C=CCOC[C@@H](NC(=O)CCc1ccc2ccccc2c1[O-])C(=O)OC	ZINC000451383808	560303632	/nfs/dbraw/zinc/30/36/32/560303632.db2.gz	MEQNEGUXEYRJEF-QGZVFWFLSA-N	-1	3	357.406	2.338	20	30		FEEDHM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C[C@H]1CCOC2(CCC2)C1	ZINC000451802502	560329503	/nfs/dbraw/zinc/32/95/03/560329503.db2.gz	ODZVBACGDWIYNH-LBPRGKRZSA-N	-1	3	365.411	2.094	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)CC(C)(C)CC#N)C(=O)N1c2ccccc2C[C@@H]1C	ZINC000451992658	560343314	/nfs/dbraw/zinc/34/33/14/560343314.db2.gz	UIACONBETGFNLD-KBPBESRZSA-N	-1	3	363.483	2.212	20	30		FEEDHM
C=CCC[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C(=O)OCC	ZINC000452000515	560344297	/nfs/dbraw/zinc/34/42/97/560344297.db2.gz	VHSBVLHVQSGIOC-ZDUSSCGKSA-N	-1	3	356.831	2.388	20	30		FEEDHM
C=CCC[C@H](CO)[N-]S(=O)(=O)c1sc(C)cc1Br	ZINC000452017227	560345748	/nfs/dbraw/zinc/34/57/48/560345748.db2.gz	AITKMEIKPFSRIP-SECBINFHSA-N	-1	3	354.291	2.424	20	30		FEEDHM
C=CCC1(NC(=O)[C@H](C)[N-]S(=O)(=O)c2c(C)noc2C)CCCCC1	ZINC000456388238	560518608	/nfs/dbraw/zinc/51/86/08/560518608.db2.gz	WFHABYPDGJTVDU-ZDUSSCGKSA-N	-1	3	369.487	2.353	20	30		FEEDHM
CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@H]2CCC[C@@H]2C#N)cc1OC	ZINC000461436679	560771616	/nfs/dbraw/zinc/77/16/16/560771616.db2.gz	PWUNQGIPIMAMPB-YPMHNXCESA-N	-1	3	366.443	2.271	20	30		FEEDHM
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)c1cc(-c2ccco2)[n-]n1	ZINC000461743240	560781263	/nfs/dbraw/zinc/78/12/63/560781263.db2.gz	TZZZOMGQTTZYNI-UHFFFAOYSA-N	-1	3	359.349	2.683	20	30		FEEDHM
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)c1cc(-c2ccco2)n[n-]1	ZINC000461743240	560781264	/nfs/dbraw/zinc/78/12/64/560781264.db2.gz	TZZZOMGQTTZYNI-UHFFFAOYSA-N	-1	3	359.349	2.683	20	30		FEEDHM
C/C=C/C[C@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C(=O)OCC	ZINC000463403816	560812906	/nfs/dbraw/zinc/81/29/06/560812906.db2.gz	ITWNVFSTNJDGOV-YERXGYGTSA-N	-1	3	359.426	2.222	20	30		FEEDHM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H]1COc2ccc(F)cc21	ZINC000466512802	560888570	/nfs/dbraw/zinc/88/85/70/560888570.db2.gz	GESMASXHQOHYLK-LBPRGKRZSA-N	-1	3	363.326	2.018	20	30		FEEDHM
C=CCN(C(=O)c1csc(=O)[n-]1)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000472101473	561018077	/nfs/dbraw/zinc/01/80/77/561018077.db2.gz	GACSXQFETNHYFZ-LLVKDONJSA-N	-1	3	356.411	2.214	20	30		FEEDHM
Cc1cc(C(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)[n-]c(=O)n1	ZINC000473562581	561052766	/nfs/dbraw/zinc/05/27/66/561052766.db2.gz	RCCUSTODEPHLED-MRXNPFEDSA-N	-1	3	371.828	2.167	20	30		FEEDHM
C=CCNC(=O)c1ccc(NC(=O)c2c(C)[n-]c(=O)nc2SC)cc1	ZINC000474518702	561075880	/nfs/dbraw/zinc/07/58/80/561075880.db2.gz	IKYWEZNTNJCIOY-UHFFFAOYSA-N	-1	3	358.423	2.381	20	30		FEEDHM
COC(=O)c1cc(C[N-]S(=O)(=O)CC2(C#N)CCCCC2)oc1C	ZINC000475540229	561099757	/nfs/dbraw/zinc/09/97/57/561099757.db2.gz	DQGSFKGMLOKVDW-UHFFFAOYSA-N	-1	3	354.428	2.268	20	30		FEEDHM
CC1(C)OC[C@@H]2C[C@@]21[N-]S(=O)(=O)c1cccc(Br)c1C#N	ZINC000528494593	562332281	/nfs/dbraw/zinc/33/22/81/562332281.db2.gz	QVBXFHAVLUWHJN-LKFCYVNXSA-N	-1	3	371.256	2.167	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H]1c1ccc(=O)[nH]n1	ZINC000530073151	562397110	/nfs/dbraw/zinc/39/71/10/562397110.db2.gz	PFQUUFXPTUEDJC-MRXNPFEDSA-N	-1	3	367.409	2.068	20	30		FEEDHM
COC(=O)CC1([N-]S(=O)(=O)c2ccc(C#N)cc2F)CCCCC1	ZINC000530856957	562426363	/nfs/dbraw/zinc/42/63/63/562426363.db2.gz	SOMKLQGTIVXROY-UHFFFAOYSA-N	-1	3	354.403	2.242	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCN(C)c2ncccc21	ZINC000530912286	562428374	/nfs/dbraw/zinc/42/83/74/562428374.db2.gz	FLXFFLQJDFLQLW-UHFFFAOYSA-N	-1	3	351.410	2.086	20	30		FEEDHM
COCC[C@](C)(C#N)[N-]S(=O)(=O)c1cscc1Br	ZINC000601959280	567886544	/nfs/dbraw/zinc/88/65/44/567886544.db2.gz	IYERWOITAUGPEX-SNVBAGLBSA-N	-1	3	353.263	2.108	20	30		FEEDHM
COc1ccc(CN2CCN(CCC#N)CC2)c(Br)c1[O-]	ZINC000602747916	568022402	/nfs/dbraw/zinc/02/24/02/568022402.db2.gz	JDAKKPWLFMEOJT-UHFFFAOYSA-N	-1	3	354.248	2.195	20	30		FEEDHM
CC[C@@]1(C[N-]S(=O)(=O)c2cccnc2C#N)OCCc2ccccc21	ZINC000568566068	568045762	/nfs/dbraw/zinc/04/57/62/568045762.db2.gz	CASDHOQAAMKHAR-SFHVURJKSA-N	-1	3	357.435	2.110	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1csc2cncn21	ZINC000735420359	598904310	/nfs/dbraw/zinc/90/43/10/598904310.db2.gz	PAGVLWBWSIHAGN-UHFFFAOYSA-N	-1	3	365.422	2.404	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1csc2cncn21	ZINC000735420359	598904311	/nfs/dbraw/zinc/90/43/11/598904311.db2.gz	PAGVLWBWSIHAGN-UHFFFAOYSA-N	-1	3	365.422	2.404	20	30		FEEDHM
C#CCSCCNC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C	ZINC000735388293	598907209	/nfs/dbraw/zinc/90/72/09/598907209.db2.gz	WWBMIPCWROVLQZ-UHFFFAOYSA-N	-1	3	358.471	2.153	20	30		FEEDHM
C#CCSCCNC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C	ZINC000735388293	598907210	/nfs/dbraw/zinc/90/72/10/598907210.db2.gz	WWBMIPCWROVLQZ-UHFFFAOYSA-N	-1	3	358.471	2.153	20	30		FEEDHM
N#Cc1cc(NC(=O)c2cccnc2N2CCCCC2)ccc1-c1nnn[n-]1	ZINC000737709360	598914374	/nfs/dbraw/zinc/91/43/74/598914374.db2.gz	NNXSIKPGWPNGNE-UHFFFAOYSA-N	-1	3	374.408	2.376	20	30		FEEDHM
N#Cc1cc(NC(=O)c2cccnc2N2CCCCC2)ccc1-c1nn[n-]n1	ZINC000737709360	598914376	/nfs/dbraw/zinc/91/43/76/598914376.db2.gz	NNXSIKPGWPNGNE-UHFFFAOYSA-N	-1	3	374.408	2.376	20	30		FEEDHM
CCC(=O)Nc1cccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c1	ZINC000736309453	598914795	/nfs/dbraw/zinc/91/47/95/598914795.db2.gz	OOCNXBYKRQQZPV-UHFFFAOYSA-N	-1	3	361.365	2.339	20	30		FEEDHM
CCC(=O)Nc1cccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c1	ZINC000736309453	598914796	/nfs/dbraw/zinc/91/47/96/598914796.db2.gz	OOCNXBYKRQQZPV-UHFFFAOYSA-N	-1	3	361.365	2.339	20	30		FEEDHM
N#Cc1cc(NC(=O)c2cc3c(c(Cl)c2)OCO3)ccc1-c1nnn[n-]1	ZINC000737709164	598916738	/nfs/dbraw/zinc/91/67/38/598916738.db2.gz	KIFJLOHJJUAXOU-UHFFFAOYSA-N	-1	3	368.740	2.373	20	30		FEEDHM
N#Cc1cc(NC(=O)c2cc3c(c(Cl)c2)OCO3)ccc1-c1nn[n-]n1	ZINC000737709164	598916739	/nfs/dbraw/zinc/91/67/39/598916739.db2.gz	KIFJLOHJJUAXOU-UHFFFAOYSA-N	-1	3	368.740	2.373	20	30		FEEDHM
N#Cc1ccc(NC(=O)[C@H]2Cc3cc(Cl)ccc3O2)cc1-c1nnn[n-]1	ZINC000737716183	598921911	/nfs/dbraw/zinc/92/19/11/598921911.db2.gz	LZEHXMMPQIZRKJ-OAHLLOKOSA-N	-1	3	366.768	2.334	20	30		FEEDHM
N#Cc1ccc(NC(=O)[C@H]2Cc3cc(Cl)ccc3O2)cc1-c1nn[n-]n1	ZINC000737716183	598921913	/nfs/dbraw/zinc/92/19/13/598921913.db2.gz	LZEHXMMPQIZRKJ-OAHLLOKOSA-N	-1	3	366.768	2.334	20	30		FEEDHM
COc1cc(C#N)ccc1OCCSc1cc(-c2nnn[n-]2)ccn1	ZINC000737034461	598939042	/nfs/dbraw/zinc/93/90/42/598939042.db2.gz	JHBDZILSQZLCHE-UHFFFAOYSA-N	-1	3	354.395	2.313	20	30		FEEDHM
COc1cc(C#N)ccc1OCCSc1cc(-c2nn[n-]n2)ccn1	ZINC000737034461	598939043	/nfs/dbraw/zinc/93/90/43/598939043.db2.gz	JHBDZILSQZLCHE-UHFFFAOYSA-N	-1	3	354.395	2.313	20	30		FEEDHM
Cc1ccc(C#N)cc1S(=O)(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1	ZINC000737305269	598952268	/nfs/dbraw/zinc/95/22/68/598952268.db2.gz	GHCYJGDRUVZXSX-GFCCVEGCSA-N	-1	3	368.422	2.086	20	30		FEEDHM
Cc1ccc(C#N)cc1S(=O)(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1	ZINC000737305269	598952269	/nfs/dbraw/zinc/95/22/69/598952269.db2.gz	GHCYJGDRUVZXSX-GFCCVEGCSA-N	-1	3	368.422	2.086	20	30		FEEDHM
C[C@@H](COc1cccc(C#N)c1)OC(=O)c1sccc1-c1nnn[n-]1	ZINC000736036837	599027780	/nfs/dbraw/zinc/02/77/80/599027780.db2.gz	AYDZYBCZGPVOPW-JTQLQIEISA-N	-1	3	355.379	2.424	20	30		FEEDHM
N#C[C@H](NC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1)C1CC1	ZINC000737676404	599031735	/nfs/dbraw/zinc/03/17/35/599031735.db2.gz	WAIQWCSXSMQLNR-SFHVURJKSA-N	-1	3	374.404	2.478	20	30		FEEDHM
N#C[C@H](NC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1)C1CC1	ZINC000737676404	599031736	/nfs/dbraw/zinc/03/17/36/599031736.db2.gz	WAIQWCSXSMQLNR-SFHVURJKSA-N	-1	3	374.404	2.478	20	30		FEEDHM
N#Cc1ccc(NCCOc2ccc(-c3nn[n-]n3)cc2)c([N+](=O)[O-])c1	ZINC000822829790	599049479	/nfs/dbraw/zinc/04/94/79/599049479.db2.gz	JDXUABUMOODCSI-UHFFFAOYSA-N	-1	3	351.326	2.137	20	30		FEEDHM
N#Cc1ccc(CNC(=O)CSc2ccc(-c3nnn[n-]3)cc2F)cc1	ZINC000737712766	599167148	/nfs/dbraw/zinc/16/71/48/599167148.db2.gz	SRBWPCOGWBJFQX-UHFFFAOYSA-N	-1	3	368.397	2.286	20	30		FEEDHM
N#Cc1ccc(CNC(=O)CSc2ccc(-c3nn[n-]n3)cc2F)cc1	ZINC000737712766	599167150	/nfs/dbraw/zinc/16/71/50/599167150.db2.gz	SRBWPCOGWBJFQX-UHFFFAOYSA-N	-1	3	368.397	2.286	20	30		FEEDHM
N#Cc1ccc(F)c(CNC(=O)CCc2ccc(-c3nnn[n-]3)cc2)c1	ZINC000822825629	599174663	/nfs/dbraw/zinc/17/46/63/599174663.db2.gz	JDUKSHAFTDZGRM-UHFFFAOYSA-N	-1	3	350.357	2.126	20	30		FEEDHM
N#Cc1ccc(F)c(CNC(=O)CCc2ccc(-c3nn[n-]n3)cc2)c1	ZINC000822825629	599174665	/nfs/dbraw/zinc/17/46/65/599174665.db2.gz	JDUKSHAFTDZGRM-UHFFFAOYSA-N	-1	3	350.357	2.126	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2ccccc2-n2cccn2)cc1-c1nnn[n-]1	ZINC000737720006	599199130	/nfs/dbraw/zinc/19/91/30/599199130.db2.gz	XQNDNQPWPSPTLN-UHFFFAOYSA-N	-1	3	356.349	2.176	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2ccccc2-n2cccn2)cc1-c1nn[n-]n1	ZINC000737720006	599199132	/nfs/dbraw/zinc/19/91/32/599199132.db2.gz	XQNDNQPWPSPTLN-UHFFFAOYSA-N	-1	3	356.349	2.176	20	30		FEEDHM
C[C@@H](C#N)COC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1	ZINC000819857339	607323254	/nfs/dbraw/zinc/32/32/54/607323254.db2.gz	RIBIHBTYHUKWBF-NSHDSACASA-N	-1	3	353.338	2.355	20	30		FEEDHM
C[C@@H](C#N)COC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1	ZINC000819857339	607323255	/nfs/dbraw/zinc/32/32/55/607323255.db2.gz	RIBIHBTYHUKWBF-NSHDSACASA-N	-1	3	353.338	2.355	20	30		FEEDHM
C#Cc1cccc(NC(=S)NCc2ccc(-c3nnn[n-]3)cc2F)c1	ZINC000735391320	598296938	/nfs/dbraw/zinc/29/69/38/598296938.db2.gz	PGSBHQOOEORFIM-UHFFFAOYSA-N	-1	3	352.398	2.474	20	30		FEEDHM
C#Cc1cccc(NC(=S)NCc2ccc(-c3nn[n-]n3)cc2F)c1	ZINC000735391320	598296939	/nfs/dbraw/zinc/29/69/39/598296939.db2.gz	PGSBHQOOEORFIM-UHFFFAOYSA-N	-1	3	352.398	2.474	20	30		FEEDHM
C[C@H](Oc1ccccc1C#N)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F	ZINC000736189968	598309557	/nfs/dbraw/zinc/30/95/57/598309557.db2.gz	VFLGZNJWNLTSNP-NSHDSACASA-N	-1	3	366.356	2.308	20	30		FEEDHM
C[C@H](Oc1ccccc1C#N)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F	ZINC000736189968	598309558	/nfs/dbraw/zinc/30/95/58/598309558.db2.gz	VFLGZNJWNLTSNP-NSHDSACASA-N	-1	3	366.356	2.308	20	30		FEEDHM
N#CCOc1ccc(C=C2N=C(c3ccc(-c4nnn[n-]4)cc3)OC2=O)cc1	ZINC000737696757	598379014	/nfs/dbraw/zinc/37/90/14/598379014.db2.gz	VYTYSKULYLGMNY-LFIBNONCSA-N	-1	3	372.344	2.114	20	30		FEEDHM
N#CCOc1ccc(C=C2N=C(c3ccc(-c4nn[n-]n4)cc3)OC2=O)cc1	ZINC000737696757	598379016	/nfs/dbraw/zinc/37/90/16/598379016.db2.gz	VYTYSKULYLGMNY-LFIBNONCSA-N	-1	3	372.344	2.114	20	30		FEEDHM
CN(C(=O)CNc1ccc(F)c(-c2nnn[n-]2)c1)C1(C#N)CCCCC1	ZINC000736732409	598602873	/nfs/dbraw/zinc/60/28/73/598602873.db2.gz	DTAAPBAMQUCQII-UHFFFAOYSA-N	-1	3	357.393	2.103	20	30		FEEDHM
CN(C(=O)CNc1ccc(F)c(-c2nn[n-]n2)c1)C1(C#N)CCCCC1	ZINC000736732409	598602874	/nfs/dbraw/zinc/60/28/74/598602874.db2.gz	DTAAPBAMQUCQII-UHFFFAOYSA-N	-1	3	357.393	2.103	20	30		FEEDHM
N#Cc1ccc(N2CCC[C@H]2C(=O)OCc2cccc(-c3nnn[n-]3)c2)cc1	ZINC000737718577	598620667	/nfs/dbraw/zinc/62/06/67/598620667.db2.gz	NRGOGPSPJIMDBJ-SFHVURJKSA-N	-1	3	374.404	2.451	20	30		FEEDHM
N#Cc1ccc(N2CCC[C@H]2C(=O)OCc2cccc(-c3nn[n-]n3)c2)cc1	ZINC000737718577	598620669	/nfs/dbraw/zinc/62/06/69/598620669.db2.gz	NRGOGPSPJIMDBJ-SFHVURJKSA-N	-1	3	374.404	2.451	20	30		FEEDHM
N#Cc1ccc(COC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)cc1	ZINC000737718741	598620714	/nfs/dbraw/zinc/62/07/14/598620714.db2.gz	OZGNDSXIWXLPKS-SFHVURJKSA-N	-1	3	374.404	2.451	20	30		FEEDHM
C=CC1CCN(C(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)CC1	ZINC000735403349	598666421	/nfs/dbraw/zinc/66/64/21/598666421.db2.gz	USUVVDYMUOYFLR-KRWDZBQOSA-N	-1	3	352.442	2.260	20	30		FEEDHM
N#CCOc1ccccc1C(=O)OCc1ccc(F)cc1-c1nnn[n-]1	ZINC000737697995	598709548	/nfs/dbraw/zinc/70/95/48/598709548.db2.gz	PRZRTUSPBGKGNN-UHFFFAOYSA-N	-1	3	353.313	2.265	20	30		FEEDHM
N#CCOc1ccccc1C(=O)OCc1ccc(F)cc1-c1nn[n-]n1	ZINC000737697995	598709549	/nfs/dbraw/zinc/70/95/49/598709549.db2.gz	PRZRTUSPBGKGNN-UHFFFAOYSA-N	-1	3	353.313	2.265	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cnc(C)nc1	ZINC000735421384	598717408	/nfs/dbraw/zinc/71/74/08/598717408.db2.gz	XVXYGTBQFTYFSK-UHFFFAOYSA-N	-1	3	350.386	2.185	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cnc(C)nc1	ZINC000735421384	598717409	/nfs/dbraw/zinc/71/74/09/598717409.db2.gz	XVXYGTBQFTYFSK-UHFFFAOYSA-N	-1	3	350.386	2.185	20	30		FEEDHM
COC(=O)[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc(-c2nnn[n-]2)cc1	ZINC000821640613	599391662	/nfs/dbraw/zinc/39/16/62/599391662.db2.gz	LNSCYHUXXSFOPQ-SJCJKPOMSA-N	-1	3	362.393	2.303	20	30		FEEDHM
COC(=O)[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc(-c2nn[n-]n2)cc1	ZINC000821640613	599391664	/nfs/dbraw/zinc/39/16/64/599391664.db2.gz	LNSCYHUXXSFOPQ-SJCJKPOMSA-N	-1	3	362.393	2.303	20	30		FEEDHM
Cc1nn(-c2ccccc2)c(COC(=O)C2(C#N)CCC2)c1-c1nnn[n-]1	ZINC000737503834	599497479	/nfs/dbraw/zinc/49/74/79/599497479.db2.gz	MCDUPBMCHXCNDM-UHFFFAOYSA-N	-1	3	363.381	2.098	20	30		FEEDHM
N#CCn1c(=O)c2ccccc2nc1CN1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21	ZINC000833068937	600986819	/nfs/dbraw/zinc/98/68/19/600986819.db2.gz	ICBAHQHXBHXIBI-COXVUDFISA-N	-1	3	366.421	2.138	20	30		FEEDHM
N#Cc1c(Cl)cccc1S(=O)(=O)Oc1cccc(-c2nnn[n-]2)c1	ZINC000826383001	607578152	/nfs/dbraw/zinc/57/81/52/607578152.db2.gz	FLSIPEZUABWWHF-UHFFFAOYSA-N	-1	3	361.770	2.159	20	30		FEEDHM
N#Cc1c(Cl)cccc1S(=O)(=O)Oc1cccc(-c2nn[n-]n2)c1	ZINC000826383001	607578154	/nfs/dbraw/zinc/57/81/54/607578154.db2.gz	FLSIPEZUABWWHF-UHFFFAOYSA-N	-1	3	361.770	2.159	20	30		FEEDHM
C=CCOc1ccc(C(=O)NCc2ccc(OC)c(-c3nnn[n-]3)c2)cc1	ZINC000823931692	607582117	/nfs/dbraw/zinc/58/21/17/607582117.db2.gz	DEMGCNDATGQETE-UHFFFAOYSA-N	-1	3	365.393	2.370	20	30		FEEDHM
C=CCOc1ccc(C(=O)NCc2ccc(OC)c(-c3nn[n-]n3)c2)cc1	ZINC000823931692	607582119	/nfs/dbraw/zinc/58/21/19/607582119.db2.gz	DEMGCNDATGQETE-UHFFFAOYSA-N	-1	3	365.393	2.370	20	30		FEEDHM
COc1ccc(CNC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1C#N	ZINC000826197074	607582567	/nfs/dbraw/zinc/58/25/67/607582567.db2.gz	YRGIQMQGIMLGJL-VQHVLOKHSA-N	-1	3	360.377	2.077	20	30		FEEDHM
COc1ccc(CNC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1C#N	ZINC000826197074	607582568	/nfs/dbraw/zinc/58/25/68/607582568.db2.gz	YRGIQMQGIMLGJL-VQHVLOKHSA-N	-1	3	360.377	2.077	20	30		FEEDHM
C[C@@H]1CN(CC(=O)C(C#N)c2nc3ccccc3s2)CC[C@@H]1NC(=O)[O-]	ZINC000739179510	602773766	/nfs/dbraw/zinc/77/37/66/602773766.db2.gz	WICYQYAFCNKFBU-UPJWGTAASA-N	-1	3	372.450	2.451	20	30		FEEDHM
COc1ccc(CNC(=O)Nc2ccc(F)c(C#N)c2)cc1-c1nnn[n-]1	ZINC000826200578	607618601	/nfs/dbraw/zinc/61/86/01/607618601.db2.gz	XAZVWGCHXKOQCD-UHFFFAOYSA-N	-1	3	367.344	2.208	20	30		FEEDHM
COc1ccc(CNC(=O)Nc2ccc(F)c(C#N)c2)cc1-c1nn[n-]n1	ZINC000826200578	607618603	/nfs/dbraw/zinc/61/86/03/607618603.db2.gz	XAZVWGCHXKOQCD-UHFFFAOYSA-N	-1	3	367.344	2.208	20	30		FEEDHM
C[C@@H]1CCCN(CCC(=O)Nc2sccc2C#N)[C@@H]1CNC(=O)[O-]	ZINC000825925185	603715440	/nfs/dbraw/zinc/71/54/40/603715440.db2.gz	NLROTYITWUZUTA-DGCLKSJQSA-N	-1	3	350.444	2.316	20	30		FEEDHM
CCOc1ccccc1NC(=O)C(C#N)C(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1	ZINC000827459596	604221235	/nfs/dbraw/zinc/22/12/35/604221235.db2.gz	IIERHMKLQAEUJM-YNEHKIRRSA-N	-1	3	359.382	2.169	20	30		FEEDHM
N#Cc1ccc(OC[C@@H](O)CN2CCC(N(CC3CC3)C(=O)[O-])CC2)cc1	ZINC000831141032	604233700	/nfs/dbraw/zinc/23/37/00/604233700.db2.gz	AYFHOUYFYZVUIO-SFHVURJKSA-N	-1	3	373.453	2.152	20	30		FEEDHM
N#C[C@H](COC(=O)COc1cccc(-c2nnn[n-]2)c1)Cc1ccccc1	ZINC000822801613	606182119	/nfs/dbraw/zinc/18/21/19/606182119.db2.gz	LBSPBKQFKVFYBA-OAHLLOKOSA-N	-1	3	363.377	2.171	20	30		FEEDHM
N#C[C@H](COC(=O)COc1cccc(-c2nn[n-]n2)c1)Cc1ccccc1	ZINC000822801613	606182120	/nfs/dbraw/zinc/18/21/20/606182120.db2.gz	LBSPBKQFKVFYBA-OAHLLOKOSA-N	-1	3	363.377	2.171	20	30		FEEDHM
COc1ccccc1NC(=S)NN=Cc1cc(-c2nnn[n-]2)cs1	ZINC000821898507	606203888	/nfs/dbraw/zinc/20/38/88/606203888.db2.gz	PMDGLPGPTPEFCK-UHFFFAOYSA-N	-1	3	359.440	2.257	20	30		FEEDHM
COc1ccccc1NC(=S)NN=Cc1cc(-c2nn[n-]n2)cs1	ZINC000821898507	606203890	/nfs/dbraw/zinc/20/38/90/606203890.db2.gz	PMDGLPGPTPEFCK-UHFFFAOYSA-N	-1	3	359.440	2.257	20	30		FEEDHM
COC(=O)[C@@H](N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1cccc(C#N)c1	ZINC000821640641	606299564	/nfs/dbraw/zinc/29/95/64/606299564.db2.gz	MAOCNAINNFYYHO-SJCJKPOMSA-N	-1	3	362.393	2.303	20	30		FEEDHM
COC(=O)[C@@H](N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1cccc(C#N)c1	ZINC000821640641	606299565	/nfs/dbraw/zinc/29/95/65/606299565.db2.gz	MAOCNAINNFYYHO-SJCJKPOMSA-N	-1	3	362.393	2.303	20	30		FEEDHM
C[C@H]1CCc2c(sc(NC(=O)CCN(C)CCC#N)c2-c2nnn[n-]2)C1	ZINC000820727907	606331588	/nfs/dbraw/zinc/33/15/88/606331588.db2.gz	QPDKNQVHWKAHOA-NSHDSACASA-N	-1	3	373.486	2.227	20	30		FEEDHM
C[C@H]1CCc2c(sc(NC(=O)CCN(C)CCC#N)c2-c2nn[n-]n2)C1	ZINC000820727907	606331590	/nfs/dbraw/zinc/33/15/90/606331590.db2.gz	QPDKNQVHWKAHOA-NSHDSACASA-N	-1	3	373.486	2.227	20	30		FEEDHM
N#Cc1cc(F)ccc1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F	ZINC000822823256	606349636	/nfs/dbraw/zinc/34/96/36/606349636.db2.gz	NJCYPVYIHZCWRL-UHFFFAOYSA-N	-1	3	355.308	2.338	20	30		FEEDHM
N#Cc1cc(F)ccc1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F	ZINC000822823256	606349638	/nfs/dbraw/zinc/34/96/38/606349638.db2.gz	NJCYPVYIHZCWRL-UHFFFAOYSA-N	-1	3	355.308	2.338	20	30		FEEDHM
N#Cc1ccc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2OC(F)F)cn1	ZINC000822826027	606561545	/nfs/dbraw/zinc/56/15/45/606561545.db2.gz	RQBBNPMFUYLQOK-UHFFFAOYSA-N	-1	3	372.291	2.092	20	30		FEEDHM
N#Cc1ccc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2OC(F)F)cn1	ZINC000822826027	606561546	/nfs/dbraw/zinc/56/15/46/606561546.db2.gz	RQBBNPMFUYLQOK-UHFFFAOYSA-N	-1	3	372.291	2.092	20	30		FEEDHM
Cc1sc(NC(=O)CN(CCC#N)CC(C)C)c(-c2nnn[n-]2)c1C	ZINC000822556400	606694304	/nfs/dbraw/zinc/69/43/04/606694304.db2.gz	BSEWLUOABBIKCI-UHFFFAOYSA-N	-1	3	361.475	2.355	20	30		FEEDHM
Cc1sc(NC(=O)CN(CCC#N)CC(C)C)c(-c2nn[n-]n2)c1C	ZINC000822556400	606694305	/nfs/dbraw/zinc/69/43/05/606694305.db2.gz	BSEWLUOABBIKCI-UHFFFAOYSA-N	-1	3	361.475	2.355	20	30		FEEDHM
N#CCOc1cc(F)ccc1NCCOc1cccc(-c2nnn[n-]2)c1	ZINC000822810120	606708748	/nfs/dbraw/zinc/70/87/48/606708748.db2.gz	CFMLDKTZHWTHLS-UHFFFAOYSA-N	-1	3	354.345	2.399	20	30		FEEDHM
N#CCOc1cc(F)ccc1NCCOc1cccc(-c2nn[n-]n2)c1	ZINC000822810120	606708750	/nfs/dbraw/zinc/70/87/50/606708750.db2.gz	CFMLDKTZHWTHLS-UHFFFAOYSA-N	-1	3	354.345	2.399	20	30		FEEDHM
N#Cc1ccc(Cl)c(NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c1	ZINC000822825674	606712146	/nfs/dbraw/zinc/71/21/46/606712146.db2.gz	LAKGKRPWBKRPEJ-UHFFFAOYSA-N	-1	3	360.786	2.193	20	30		FEEDHM
C=CCNc1nnc(SC[C@H](O)c2ccc(-c3nnn[n-]3)cc2)s1	ZINC000819751611	606845616	/nfs/dbraw/zinc/84/56/16/606845616.db2.gz	XQOHAXDCLBBNAA-NSHDSACASA-N	-1	3	361.456	2.142	20	30		FEEDHM
C=CCNc1nnc(SC[C@H](O)c2ccc(-c3nn[n-]n3)cc2)s1	ZINC000819751611	606845618	/nfs/dbraw/zinc/84/56/18/606845618.db2.gz	XQOHAXDCLBBNAA-NSHDSACASA-N	-1	3	361.456	2.142	20	30		FEEDHM
C#CCCCCNC(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1	ZINC000819692339	606988206	/nfs/dbraw/zinc/98/82/06/606988206.db2.gz	DBKLBNHTNXVBFK-UHFFFAOYSA-N	-1	3	368.441	2.223	20	30		FEEDHM
N#Cc1cc(CSc2nc(N)c(-c3nnn[n-]3)cc2C#N)ccc1F	ZINC000822818511	607007241	/nfs/dbraw/zinc/00/72/41/607007241.db2.gz	BAPXSARFWFWLIY-UHFFFAOYSA-N	-1	3	352.358	2.019	20	30		FEEDHM
N#Cc1cc(CSc2nc(N)c(-c3nn[n-]n3)cc2C#N)ccc1F	ZINC000822818511	607007243	/nfs/dbraw/zinc/00/72/43/607007243.db2.gz	BAPXSARFWFWLIY-UHFFFAOYSA-N	-1	3	352.358	2.019	20	30		FEEDHM
N#Cc1cc(CSc2nc(N)c(C#N)cc2-c2nnn[n-]2)ccc1F	ZINC000822819550	607007574	/nfs/dbraw/zinc/00/75/74/607007574.db2.gz	VLTZIESPTCRJEY-UHFFFAOYSA-N	-1	3	352.358	2.019	20	30		FEEDHM
N#Cc1cc(CSc2nc(N)c(C#N)cc2-c2nn[n-]n2)ccc1F	ZINC000822819550	607007576	/nfs/dbraw/zinc/00/75/76/607007576.db2.gz	VLTZIESPTCRJEY-UHFFFAOYSA-N	-1	3	352.358	2.019	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccnn1C(C)C	ZINC000819745376	607010475	/nfs/dbraw/zinc/01/04/75/607010475.db2.gz	ACIIJVHVIAUWGV-UHFFFAOYSA-N	-1	3	351.414	2.473	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccnn1C(C)C	ZINC000819745376	607010476	/nfs/dbraw/zinc/01/04/76/607010476.db2.gz	ACIIJVHVIAUWGV-UHFFFAOYSA-N	-1	3	351.414	2.473	20	30		FEEDHM
N#Cc1ccc(OCC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1	ZINC000822833869	607242387	/nfs/dbraw/zinc/24/23/87/607242387.db2.gz	YJZXUZFSCLYFDM-UHFFFAOYSA-N	-1	3	354.757	2.409	20	30		FEEDHM
N#Cc1ccc(OCC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1	ZINC000822833869	607242388	/nfs/dbraw/zinc/24/23/88/607242388.db2.gz	YJZXUZFSCLYFDM-UHFFFAOYSA-N	-1	3	354.757	2.409	20	30		FEEDHM
Cc1noc(C)c1[C@@H](C)CC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1	ZINC000826338144	607830128	/nfs/dbraw/zinc/83/01/28/607830128.db2.gz	MCOFPHFLSAUJOT-VIFPVBQESA-N	-1	3	351.370	2.476	20	30		FEEDHM
Cc1noc(C)c1[C@@H](C)CC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1	ZINC000826338144	607830129	/nfs/dbraw/zinc/83/01/29/607830129.db2.gz	MCOFPHFLSAUJOT-VIFPVBQESA-N	-1	3	351.370	2.476	20	30		FEEDHM
CCOc1cc(C#N)ccc1OC[C@@H](O)c1ccc(-c2nnn[n-]2)cc1	ZINC000825615784	607871882	/nfs/dbraw/zinc/87/18/82/607871882.db2.gz	KMTWEHUDWDOLRA-OAHLLOKOSA-N	-1	3	351.366	2.249	20	30		FEEDHM
CCOc1cc(C#N)ccc1OC[C@@H](O)c1ccc(-c2nn[n-]n2)cc1	ZINC000825615784	607871883	/nfs/dbraw/zinc/87/18/83/607871883.db2.gz	KMTWEHUDWDOLRA-OAHLLOKOSA-N	-1	3	351.366	2.249	20	30		FEEDHM
Fc1ccc(C2N=NC(=S)N2N=Cc2ccccc2-c2nnn[n-]2)cc1	ZINC000826372616	607885382	/nfs/dbraw/zinc/88/53/82/607885382.db2.gz	FOIAMCQHXDXREQ-UHFFFAOYSA-N	-1	3	366.385	2.435	20	30		FEEDHM
Fc1ccc(C2N=NC(=S)N2N=Cc2ccccc2-c2nn[n-]n2)cc1	ZINC000826372616	607885383	/nfs/dbraw/zinc/88/53/83/607885383.db2.gz	FOIAMCQHXDXREQ-UHFFFAOYSA-N	-1	3	366.385	2.435	20	30		FEEDHM
C#CC[C@H](NS(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C)c1ccccc1	ZINC000823837986	607937859	/nfs/dbraw/zinc/93/78/59/607937859.db2.gz	KBWHSWHXOKNOLH-INIZCTEOSA-N	-1	3	367.434	2.218	20	30		FEEDHM
C#CC[C@H](NS(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C)c1ccccc1	ZINC000823837986	607937860	/nfs/dbraw/zinc/93/78/60/607937860.db2.gz	KBWHSWHXOKNOLH-INIZCTEOSA-N	-1	3	367.434	2.218	20	30		FEEDHM
C=CCCOCCNC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1	ZINC000823899550	607958952	/nfs/dbraw/zinc/95/89/52/607958952.db2.gz	YBTKQQSLZQNZQX-UHFFFAOYSA-N	-1	3	356.430	2.133	20	30		FEEDHM
C=CCCOCCNC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1	ZINC000823899550	607958953	/nfs/dbraw/zinc/95/89/53/607958953.db2.gz	YBTKQQSLZQNZQX-UHFFFAOYSA-N	-1	3	356.430	2.133	20	30		FEEDHM
COc1ccc(OC)c(C=NOCc2ccc(OC)c(-c3nnn[n-]3)c2)c1	ZINC000826211040	607972238	/nfs/dbraw/zinc/97/22/38/607972238.db2.gz	NDAKEDWESWYWFY-UHFFFAOYSA-N	-1	3	369.381	2.443	20	30		FEEDHM
COc1ccc(OC)c(C=NOCc2ccc(OC)c(-c3nn[n-]n3)c2)c1	ZINC000826211040	607972239	/nfs/dbraw/zinc/97/22/39/607972239.db2.gz	NDAKEDWESWYWFY-UHFFFAOYSA-N	-1	3	369.381	2.443	20	30		FEEDHM
O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1ccc(Cl)nc1	ZINC000826403646	607982101	/nfs/dbraw/zinc/98/21/01/607982101.db2.gz	XYYVUKBHDZKDOR-ONEGZZNKSA-N	-1	3	351.757	2.459	20	30		FEEDHM
O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1ccc(Cl)nc1	ZINC000826403646	607982102	/nfs/dbraw/zinc/98/21/02/607982102.db2.gz	XYYVUKBHDZKDOR-ONEGZZNKSA-N	-1	3	351.757	2.459	20	30		FEEDHM
N#Cc1c(Cl)nsc1N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1	ZINC000826383062	608053373	/nfs/dbraw/zinc/05/33/73/608053373.db2.gz	IQYGEENRUINVNT-GFCCVEGCSA-N	-1	3	373.829	2.426	20	30		FEEDHM
N#Cc1c(Cl)nsc1N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1	ZINC000826383062	608053374	/nfs/dbraw/zinc/05/33/74/608053374.db2.gz	IQYGEENRUINVNT-GFCCVEGCSA-N	-1	3	373.829	2.426	20	30		FEEDHM
N#Cc1ccc(F)c(CN2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)c1	ZINC000826385416	608069044	/nfs/dbraw/zinc/06/90/44/608069044.db2.gz	LIDSMWDNIIXWJW-GOSISDBHSA-N	-1	3	364.384	2.451	20	30		FEEDHM
N#Cc1ccc(F)c(CN2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)c1	ZINC000826385416	608069045	/nfs/dbraw/zinc/06/90/45/608069045.db2.gz	LIDSMWDNIIXWJW-GOSISDBHSA-N	-1	3	364.384	2.451	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cnc(NC)s1	ZINC000823914298	608120180	/nfs/dbraw/zinc/12/01/80/608120180.db2.gz	DYNKYGQMNMVOCD-UHFFFAOYSA-N	-1	3	355.427	2.193	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cnc(NC)s1	ZINC000823914298	608120181	/nfs/dbraw/zinc/12/01/81/608120181.db2.gz	DYNKYGQMNMVOCD-UHFFFAOYSA-N	-1	3	355.427	2.193	20	30		FEEDHM
C[C@]1(C#N)CCCN(Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)C1	ZINC000824778448	608125850	/nfs/dbraw/zinc/12/58/50/608125850.db2.gz	PCCINGOAHLAZEP-QGZVFWFLSA-N	-1	3	350.386	2.042	20	30		FEEDHM
C[C@]1(C#N)CCCN(Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)C1	ZINC000824778448	608125851	/nfs/dbraw/zinc/12/58/51/608125851.db2.gz	PCCINGOAHLAZEP-QGZVFWFLSA-N	-1	3	350.386	2.042	20	30		FEEDHM
C#C[C@@H](Cc1ccccc1)OC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1	ZINC000823838352	608332385	/nfs/dbraw/zinc/33/23/85/608332385.db2.gz	ONBDSOMSPLPDNN-YOEHRIQHSA-N	-1	3	362.389	2.422	20	30		FEEDHM
CC(C)C[C@@H](C#N)NC(=O)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(C)C	ZINC000824229622	608497074	/nfs/dbraw/zinc/49/70/74/608497074.db2.gz	SZTSANWDROZGJZ-BBRMVZONSA-N	-1	3	356.430	2.325	20	30		FEEDHM
CC(C)C[C@@H](C#N)NC(=O)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(C)C	ZINC000824229622	608497076	/nfs/dbraw/zinc/49/70/76/608497076.db2.gz	SZTSANWDROZGJZ-BBRMVZONSA-N	-1	3	356.430	2.325	20	30		FEEDHM
N#Cc1ccc(CN2CCN(Cc3ccc(-c4nnn[n-]4)s3)CC2)cc1	ZINC000826384680	608502911	/nfs/dbraw/zinc/50/29/11/608502911.db2.gz	FIYJCNCNQDFMSP-UHFFFAOYSA-N	-1	3	365.466	2.118	20	30		FEEDHM
N#Cc1ccc(CN2CCN(Cc3ccc(-c4nn[n-]n4)s3)CC2)cc1	ZINC000826384680	608502913	/nfs/dbraw/zinc/50/29/13/608502913.db2.gz	FIYJCNCNQDFMSP-UHFFFAOYSA-N	-1	3	365.466	2.118	20	30		FEEDHM
COc1ccc(C(C)N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)c(O)c1	ZINC000826187686	608540424	/nfs/dbraw/zinc/54/04/24/608540424.db2.gz	BMDLMGLQLGDFNR-UHFFFAOYSA-N	-1	3	359.777	2.465	20	30		FEEDHM
COc1ccc(C(C)N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)c(O)c1	ZINC000826187686	608540426	/nfs/dbraw/zinc/54/04/26/608540426.db2.gz	BMDLMGLQLGDFNR-UHFFFAOYSA-N	-1	3	359.777	2.465	20	30		FEEDHM
C=CC[C@H](CO)CNC(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl	ZINC000823888691	608562830	/nfs/dbraw/zinc/56/28/30/608562830.db2.gz	UFWMCSKVRSXWPB-QMMMGPOBSA-N	-1	3	356.213	2.088	20	30		FEEDHM
C=CC[C@H](CO)CNC(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl	ZINC000823888691	608562831	/nfs/dbraw/zinc/56/28/31/608562831.db2.gz	UFWMCSKVRSXWPB-QMMMGPOBSA-N	-1	3	356.213	2.088	20	30		FEEDHM
CSCCN=c1scc(C)n1N=Cc1ccc(-c2nnn[n-]2)cc1	ZINC000826229205	608751955	/nfs/dbraw/zinc/75/19/55/608751955.db2.gz	UBWHYPLVAQPACN-UHFFFAOYSA-N	-1	3	359.484	2.184	20	30		FEEDHM
CSCCN=c1scc(C)n1N=Cc1ccc(-c2nn[n-]n2)cc1	ZINC000826229205	608751957	/nfs/dbraw/zinc/75/19/57/608751957.db2.gz	UBWHYPLVAQPACN-UHFFFAOYSA-N	-1	3	359.484	2.184	20	30		FEEDHM
CSCCN=c1scc(C)n1N=Cc1ccc(-c2nnn[n-]2)s1	ZINC000826229017	608753930	/nfs/dbraw/zinc/75/39/30/608753930.db2.gz	LLFQGXWQOVNXEG-UHFFFAOYSA-N	-1	3	365.513	2.246	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](C)[C@H]1CCCOC1	ZINC000823909402	609191454	/nfs/dbraw/zinc/19/14/54/609191454.db2.gz	BNPZCQIYFMVLGQ-YOEHRIQHSA-N	-1	3	370.457	2.379	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](C)[C@H]1CCCOC1	ZINC000823909402	609191455	/nfs/dbraw/zinc/19/14/55/609191455.db2.gz	BNPZCQIYFMVLGQ-YOEHRIQHSA-N	-1	3	370.457	2.379	20	30		FEEDHM
CC(C)(C)Nc1ccc(C(N)=NOCc2ccc(-c3nnn[n-]3)cc2)nc1	ZINC000824093919	609219001	/nfs/dbraw/zinc/21/90/01/609219001.db2.gz	NPRYKNHRAVPQLI-UHFFFAOYSA-N	-1	3	366.429	2.309	20	30		FEEDHM
CC(C)(C)Nc1ccc(C(N)=NOCc2ccc(-c3nn[n-]n3)cc2)nc1	ZINC000824093919	609219003	/nfs/dbraw/zinc/21/90/03/609219003.db2.gz	NPRYKNHRAVPQLI-UHFFFAOYSA-N	-1	3	366.429	2.309	20	30		FEEDHM
O=C(OCC#Cc1ccccc1)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1	ZINC000826463195	609255441	/nfs/dbraw/zinc/25/54/41/609255441.db2.gz	VORFKBYYMSOYOX-LJQANCHMSA-N	-1	3	373.416	2.430	20	30		FEEDHM
O=C(C=Cc1cnc(N2CCCC2)nc1)c1ccc(-c2nnn[n-]2)cc1F	ZINC000826403124	609271042	/nfs/dbraw/zinc/27/10/42/609271042.db2.gz	KLDNSEDVOLPHAJ-UTCJRWHESA-N	-1	3	365.372	2.292	20	30		FEEDHM
O=C(C=Cc1cnc(N2CCCC2)nc1)c1ccc(-c2nn[n-]n2)cc1F	ZINC000826403124	609271044	/nfs/dbraw/zinc/27/10/44/609271044.db2.gz	KLDNSEDVOLPHAJ-UTCJRWHESA-N	-1	3	365.372	2.292	20	30		FEEDHM
COc1ccc(CSc2nnc(C)c(C)c2C#N)cc1-c1nnn[n-]1	ZINC000826208032	609305210	/nfs/dbraw/zinc/30/52/10/609305210.db2.gz	PSQCKEYKIZKSSY-UHFFFAOYSA-N	-1	3	353.411	2.446	20	30		FEEDHM
COc1ccc(CSc2nnc(C)c(C)c2C#N)cc1-c1nn[n-]n1	ZINC000826208032	609305211	/nfs/dbraw/zinc/30/52/11/609305211.db2.gz	PSQCKEYKIZKSSY-UHFFFAOYSA-N	-1	3	353.411	2.446	20	30		FEEDHM
CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCC(CC#N)CC1	ZINC000824171877	609423275	/nfs/dbraw/zinc/42/32/75/609423275.db2.gz	GEHMJTFULPMFCK-UHFFFAOYSA-N	-1	3	354.414	2.176	20	30		FEEDHM
CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC(CC#N)CC1	ZINC000824171877	609423277	/nfs/dbraw/zinc/42/32/77/609423277.db2.gz	GEHMJTFULPMFCK-UHFFFAOYSA-N	-1	3	354.414	2.176	20	30		FEEDHM
CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1ccc(-c2nnn[n-]2)cc1	ZINC000824099480	609506291	/nfs/dbraw/zinc/50/62/91/609506291.db2.gz	HHDAXLFYGLUNLF-QGZVFWFLSA-N	-1	3	356.386	2.067	20	30		FEEDHM
CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1ccc(-c2nn[n-]n2)cc1	ZINC000824099480	609506292	/nfs/dbraw/zinc/50/62/92/609506292.db2.gz	HHDAXLFYGLUNLF-QGZVFWFLSA-N	-1	3	356.386	2.067	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)Oc2ccccc2-c2nnn[n-]2)c(Cl)c1	ZINC000826386200	609535702	/nfs/dbraw/zinc/53/57/02/609535702.db2.gz	TWRIZXABNMKCAM-UHFFFAOYSA-N	-1	3	361.770	2.159	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)Oc2ccccc2-c2nn[n-]n2)c(Cl)c1	ZINC000826386200	609535704	/nfs/dbraw/zinc/53/57/04/609535704.db2.gz	TWRIZXABNMKCAM-UHFFFAOYSA-N	-1	3	361.770	2.159	20	30		FEEDHM
C#C[C@H]([N-]S(=O)(=O)c1ccsc1C(=O)OC)c1ccc(F)cc1	ZINC000812526803	674682895	/nfs/dbraw/zinc/68/28/95/674682895.db2.gz	RVUSSPAZFYEYJP-LBPRGKRZSA-N	-1	3	353.396	2.327	20	30		FEEDHM
C#C[C@H]([N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)OC)c1ccc(F)cc1	ZINC000812527062	674682933	/nfs/dbraw/zinc/68/29/33/674682933.db2.gz	WPTUCGNNAVHMPP-AWEZNQCLSA-N	-1	3	365.382	2.475	20	30		FEEDHM
N#Cc1cccc(CC[N-]S(=O)(=O)c2cccnc2C(F)(F)F)c1	ZINC000562871417	674818213	/nfs/dbraw/zinc/81/82/13/674818213.db2.gz	KZWREFDPSNYGIS-UHFFFAOYSA-N	-1	3	355.341	2.493	20	30		FEEDHM
CC[C@]1(C)NC(=O)N([N-]C(=O)c2sc3ccc(C#N)cc3c2C)C1=O	ZINC000816542068	675063909	/nfs/dbraw/zinc/06/39/09/675063909.db2.gz	BTVRPKHBLGNBPF-KRWDZBQOSA-N	-1	3	356.407	2.447	20	30		FEEDHM
Cc1noc(C)c1CSc1ccccc1C(=O)N[C@H]1CCN([O-])C1=O	ZINC000816696885	675073892	/nfs/dbraw/zinc/07/38/92/675073892.db2.gz	LDFQLWBHEARSOJ-AWEZNQCLSA-N	-1	3	361.423	2.304	20	30		FEEDHM
CCN(CCC/N=C/c1cc(Br)ccc1[O-])S(C)(=O)=O	ZINC000048627841	670270315	/nfs/dbraw/zinc/27/03/15/670270315.db2.gz	HIWYWMUOFJYNSV-XNTDXEJSSA-N	-1	3	363.277	2.245	20	30		FEEDHM
C=CCOC(=O)c1sc2[n-]c(Cc3nccn3CC)nc(=O)c2c1C	ZINC000083937049	670661953	/nfs/dbraw/zinc/66/19/53/670661953.db2.gz	WYRDVFPDTZCJCP-UHFFFAOYSA-N	-1	3	358.423	2.443	20	30		FEEDHM
N#CCN1CCC([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)CC1	ZINC000609334442	675918707	/nfs/dbraw/zinc/91/87/07/675918707.db2.gz	WLGFZXWVWQTQCH-UHFFFAOYSA-N	-1	3	365.352	2.111	20	30		FEEDHM
CC[C@@H](C)C[C@@H]([N-]S(=O)(=O)Cc1ccc(CC#N)cc1)C(=O)OC	ZINC000578502055	671669846	/nfs/dbraw/zinc/66/98/46/671669846.db2.gz	FTXTXJCHNXTBKW-CZUORRHYSA-N	-1	3	352.456	2.150	20	30		FEEDHM
C=C[C@@H]1OCC[C@H]1NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1	ZINC000581769884	671935809	/nfs/dbraw/zinc/93/58/09/671935809.db2.gz	PSNHAZIKVVABDC-DOMZBBRYSA-N	-1	3	363.211	2.364	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(F)nc2)ccc1F	ZINC000135046192	672129009	/nfs/dbraw/zinc/12/90/09/672129009.db2.gz	CVPZPMQCFZLTPP-UHFFFAOYSA-N	-1	3	353.350	2.076	20	30		FEEDHM
C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2[O-])cc1	ZINC000153614009	672201598	/nfs/dbraw/zinc/20/15/98/672201598.db2.gz	FUIFGHJCICEHPL-UHFFFAOYSA-N	-1	3	364.810	2.209	20	30		FEEDHM
CCOC(=O)c1sc(C[N-]S(=O)(=O)CC2(C#N)CCCC2)nc1C	ZINC000612678946	676093123	/nfs/dbraw/zinc/09/31/23/676093123.db2.gz	MWVIEUSSILVGDY-UHFFFAOYSA-N	-1	3	371.484	2.132	20	30		FEEDHM
Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N[C@@H]1CC(C)(C)OC1(C)C	ZINC000329256005	673074507	/nfs/dbraw/zinc/07/45/07/673074507.db2.gz	XKTRUWUGIVTICJ-CMPLNLGQSA-N	-1	3	373.475	2.261	20	30		FEEDHM
C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)c2ncnn21	ZINC000594810585	673150446	/nfs/dbraw/zinc/15/04/46/673150446.db2.gz	VOBIGHAOWVNHHH-LDYMZIIASA-N	-1	3	371.344	2.153	20	30		FEEDHM
COc1c(F)cc(Br)cc1S(=O)(=O)[N-][C@@H](C)CC#N	ZINC000730812713	673292077	/nfs/dbraw/zinc/29/20/77/673292077.db2.gz	RLPZJMMALOMYSU-ZETCQYMHSA-N	-1	3	351.197	2.177	20	30		FEEDHM
CCN(C[C@@H](C)C#N)C(=O)COC(=O)c1cccc(Br)c1[O-]	ZINC000730364049	673278018	/nfs/dbraw/zinc/27/80/18/673278018.db2.gz	IHQHCZRMXBHMPD-JTQLQIEISA-N	-1	3	369.215	2.320	20	30		FEEDHM
CCc1cnccc1[C@H](C)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000539118523	673475045	/nfs/dbraw/zinc/47/50/45/673475045.db2.gz	MSJPRIFBCSQPER-NSHDSACASA-N	-1	3	360.395	2.463	20	30		FEEDHM
Cc1ccccc1NC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000742464738	673728794	/nfs/dbraw/zinc/72/87/94/673728794.db2.gz	ONNWVEXBMDKHPV-CYBMUJFWSA-N	-1	3	357.435	2.451	20	30		FEEDHM
CC(C)[C@@H]1CCCN1C(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000742583346	673731556	/nfs/dbraw/zinc/73/15/56/673731556.db2.gz	PJWHKVLLRVFXTM-HIFRSBDPSA-N	-1	3	363.483	2.151	20	30		FEEDHM
CCc1ccc2c(c1)C(=N[N-]S(=O)(=O)CCc1ccccc1)C(=O)N2	ZINC000743449195	673760156	/nfs/dbraw/zinc/76/01/56/673760156.db2.gz	PYAJKCZEVFLUIG-UHFFFAOYSA-N	-1	3	357.435	2.067	20	30		FEEDHM
C#CCN(CC)C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl	ZINC000745868027	673854594	/nfs/dbraw/zinc/85/45/94/673854594.db2.gz	VEOLUKOAJUSAEI-UHFFFAOYSA-N	-1	3	363.266	2.144	20	30		FEEDHM
CCCC[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N1CCC1(C)C	ZINC000747400448	673926378	/nfs/dbraw/zinc/92/63/78/673926378.db2.gz	RTMGJTYLAYRYRK-CQSZACIVSA-N	-1	3	363.483	2.295	20	30		FEEDHM
N#Cc1cc(N2CCC(c3n[n-]c(=O)o3)CC2)ncc1Br	ZINC000603371413	673927175	/nfs/dbraw/zinc/92/71/75/673927175.db2.gz	MLVYEMNIRBQTIB-UHFFFAOYSA-N	-1	3	350.176	2.188	20	30		FEEDHM
C[C@@H](CC(=O)N1CC[C@@H](C)C[C@H]1C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000819683457	675308823	/nfs/dbraw/zinc/30/88/23/675308823.db2.gz	JYPKULCCAPQVTF-HZSPNIEDSA-N	-1	3	363.483	2.151	20	30		FEEDHM
CC(C)(Cc1ccc(Br)cc1)C(=O)N[C@H]1CCN([O-])C1=O	ZINC000820120428	675337174	/nfs/dbraw/zinc/33/71/74/675337174.db2.gz	NWTMPADKTBJTPA-LBPRGKRZSA-N	-1	3	355.232	2.124	20	30		FEEDHM
O=C(COc1c(Cl)cc(Cl)cc1Cl)N[C@@H]1CCN([O-])C1=O	ZINC000820137242	675338757	/nfs/dbraw/zinc/33/87/57/675338757.db2.gz	LMQTVBDPRSAKFR-SECBINFHSA-N	-1	3	353.589	2.132	20	30		FEEDHM
Cc1cc(C(=O)N[C@H]2CCN([O-])C2=O)nn1-c1ccc(Cl)c(Cl)c1	ZINC000820178959	675341449	/nfs/dbraw/zinc/34/14/49/675341449.db2.gz	CDBJQBDQLMFBRP-LBPRGKRZSA-N	-1	3	369.208	2.207	20	30		FEEDHM
CCc1ccc(-c2nc(CC(=O)N[C@@H]3CCCN([O-])C3=O)cs2)cc1	ZINC000820477048	675364923	/nfs/dbraw/zinc/36/49/23/675364923.db2.gz	SUWBKQJWMYWMDR-OAHLLOKOSA-N	-1	3	359.451	2.411	20	30		FEEDHM
C=CCCC[C@H](C)NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1	ZINC000823894405	675576129	/nfs/dbraw/zinc/57/61/29/675576129.db2.gz	PIFZBJWUTNHMRO-JTQLQIEISA-N	-1	3	362.821	2.320	20	30		FEEDHM
C=CCCC[C@H](C)NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1	ZINC000823894405	675576130	/nfs/dbraw/zinc/57/61/30/675576130.db2.gz	PIFZBJWUTNHMRO-JTQLQIEISA-N	-1	3	362.821	2.320	20	30		FEEDHM
Cc1c(Cl)cnc(NCCNc2ncccc2C#N)c1-c1nnn[n-]1	ZINC000826240540	675685265	/nfs/dbraw/zinc/68/52/65/675685265.db2.gz	YTOSTWNKWJJPNA-UHFFFAOYSA-N	-1	3	355.793	2.014	20	30		FEEDHM
Cc1c(Cl)cnc(NCCNc2ncccc2C#N)c1-c1nn[n-]n1	ZINC000826240540	675685267	/nfs/dbraw/zinc/68/52/67/675685267.db2.gz	YTOSTWNKWJJPNA-UHFFFAOYSA-N	-1	3	355.793	2.014	20	30		FEEDHM
C=CC[C@H]([N-]S(=O)(=O)c1coc(C(=O)N(C)C)c1C)c1ccncc1	ZINC000827160213	675735006	/nfs/dbraw/zinc/73/50/06/675735006.db2.gz	MMSVCWQASRPPPQ-AWEZNQCLSA-N	-1	3	363.439	2.281	20	30		FEEDHM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1	ZINC000620310002	676413045	/nfs/dbraw/zinc/41/30/45/676413045.db2.gz	HVGQWCLFWPOWSE-PHIMTYICSA-N	-1	3	360.888	2.389	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(-c2nc([C@@]3(C)CCCO3)no2)ccc1F	ZINC000763341340	680780486	/nfs/dbraw/zinc/78/04/86/680780486.db2.gz	PLVYECKMVQBFJK-MRXNPFEDSA-N	-1	3	367.402	2.366	20	30		FEEDHM
CC(=NNC1=NC(=O)C(=O)[N-]1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	ZINC000765593808	680847539	/nfs/dbraw/zinc/84/75/39/680847539.db2.gz	KMMXBSGKABUQFO-UHFFFAOYSA-N	-1	3	366.221	2.050	20	30		FEEDHM
C#CCOc1ccc(COC(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1	ZINC000765722637	680852667	/nfs/dbraw/zinc/85/26/67/680852667.db2.gz	DWVYAVBJADFEHH-UHFFFAOYSA-N	-1	3	359.403	2.427	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2c(C)noc2C)ccc1F	ZINC000748636665	679982206	/nfs/dbraw/zinc/98/22/06/679982206.db2.gz	PFQWHSDDMZNSNV-UHFFFAOYSA-N	-1	3	353.375	2.147	20	30		FEEDHM
C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccc(C#N)cc2)ccc1F	ZINC000752508779	680246199	/nfs/dbraw/zinc/24/61/99/680246199.db2.gz	ZUZXBIBSEQSZOR-LLVKDONJSA-N	-1	3	361.398	2.096	20	30		FEEDHM
CCOC(=O)C(F)(F)[C@@H]1CCC(=N[N-]S(=O)(=O)Cc2ccccc2)C1	ZINC000752728359	680256416	/nfs/dbraw/zinc/25/64/16/680256416.db2.gz	ZRLRFBAMIRQZCN-CYBMUJFWSA-N	-1	3	374.409	2.461	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)OCC[C@H]2CCCCO2)ccc1F	ZINC000754775789	680377376	/nfs/dbraw/zinc/37/73/76/680377376.db2.gz	TXCSCCYDXLJJAN-CQSZACIVSA-N	-1	3	371.430	2.406	20	30		FEEDHM
Oc1ccc(C=Nn2c(=S)[n-]nc2[C@H]2COc3ccccc3O2)nc1	ZINC000755542211	680420632	/nfs/dbraw/zinc/42/06/32/680420632.db2.gz	LIIHFWXNCBKULF-CQSZACIVSA-N	-1	3	355.379	2.062	20	30		FEEDHM
CC(C)[C@@H]1CCN(C(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)C1	ZINC000755623313	680424905	/nfs/dbraw/zinc/42/49/05/680424905.db2.gz	RBEIRJNDSCWESA-ZIAGYGMSSA-N	-1	3	363.483	2.008	20	30		FEEDHM
O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]N=Cc2c(O)cccc2Cl)cc1	ZINC000755675507	680427691	/nfs/dbraw/zinc/42/76/91/680427691.db2.gz	YJSBZEDLEOKXTI-UHFFFAOYSA-N	-1	3	369.786	2.407	20	30		FEEDHM
C#CC[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C)c1)c1ccccc1	ZINC000757577667	680526700	/nfs/dbraw/zinc/52/67/00/680526700.db2.gz	IOCCOYUTLCEDPB-INIZCTEOSA-N	-1	3	360.410	2.228	20	30		FEEDHM
CCOC(=O)[C@@H]1CCC(=N[N-]S(=O)(=O)Cc2ccccc2)C[C@H]1C	ZINC000758115642	680556310	/nfs/dbraw/zinc/55/63/10/680556310.db2.gz	GXCXDJIPPKRLRW-CZUORRHYSA-N	-1	3	352.456	2.461	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)CC(F)(F)F)ccc1F	ZINC000766735724	680886406	/nfs/dbraw/zinc/88/64/06/680886406.db2.gz	PGHNZLQJQGGVQV-SECBINFHSA-N	-1	3	368.352	2.361	20	30		FEEDHM
C#CCOc1cccc([C@@H](C)OC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C)c1	ZINC000771600703	681062114	/nfs/dbraw/zinc/06/21/14/681062114.db2.gz	WKDRCDYQFJGZKI-CZUORRHYSA-N	-1	3	367.467	2.267	20	30		FEEDHM
C[C@@H](Sc1nncn1C)C(=O)C(C#N)=C([O-])C1(c2ccccc2)CC1	ZINC000845840581	681155930	/nfs/dbraw/zinc/15/59/30/681155930.db2.gz	MRYBKKJMPSPUQL-TZMCWYRMSA-N	-1	3	354.435	2.305	20	30		FEEDHM
C#C[C@@H]1CCCN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)C1	ZINC000848288470	681507814	/nfs/dbraw/zinc/50/78/14/681507814.db2.gz	KVPRBEMRYUYRMP-CYBMUJFWSA-N	-1	3	366.458	2.388	20	30		FEEDHM
C=CCC1([N-]S(=O)(=O)c2ccc(Cl)c3nonc32)CCOCC1	ZINC000849452157	681741393	/nfs/dbraw/zinc/74/13/93/681741393.db2.gz	MUYUOGYJBDOJPG-UHFFFAOYSA-N	-1	3	357.819	2.280	20	30		FEEDHM
N#Cc1ccc(C[N-]S(=O)(=O)c2cc(F)ccc2Br)nc1	ZINC000780885869	681882848	/nfs/dbraw/zinc/88/28/48/681882848.db2.gz	CESKGTCNHKVPNK-UHFFFAOYSA-N	-1	3	370.203	2.333	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)OC[C@@H]2CCCCO2)ccc1F	ZINC000914459187	685508070	/nfs/dbraw/zinc/50/80/70/685508070.db2.gz	KCMPKTHQEYXENG-ZDUSSCGKSA-N	-1	3	357.403	2.016	20	30		FEEDHM
Cc1cc(C=NN2CC(=O)[N-]C2=O)c(C)n1-c1ccc(F)c(F)c1F	ZINC000914695233	685509233	/nfs/dbraw/zinc/50/92/33/685509233.db2.gz	LEINRFDSXNNGQD-UHFFFAOYSA-N	-1	3	350.300	2.397	20	30		FEEDHM
CC[C@]1(C)NC(=O)N(N=Cc2cc(Br)c([O-])c(OC)c2)C1=O	ZINC000916330262	685523708	/nfs/dbraw/zinc/52/37/08/685523708.db2.gz	FZGQHXMNEFLJFG-AWEZNQCLSA-N	-1	3	370.203	2.218	20	30		FEEDHM
C=CCCSCCNC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1	ZINC000852488242	682289064	/nfs/dbraw/zinc/28/90/64/682289064.db2.gz	YWUPBMJDAYLZSB-UHFFFAOYSA-N	-1	3	367.437	2.396	20	30		FEEDHM
COCCC1N=NC(=S)N1N=Cc1ccc(Br)cc1[O-]	ZINC000853314554	682404644	/nfs/dbraw/zinc/40/46/44/682404644.db2.gz	VMJOJTYTQVETHY-UHFFFAOYSA-N	-1	3	357.233	2.106	20	30		FEEDHM
C#C[C@H]([N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1)C1CCOCC1	ZINC000853860190	682480564	/nfs/dbraw/zinc/48/05/64/682480564.db2.gz	AVQQUNVMANXPQV-AWEZNQCLSA-N	-1	3	354.309	2.111	20	30		FEEDHM
C#C[C@@H]([N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1)C1CCOCC1	ZINC000853860191	682480654	/nfs/dbraw/zinc/48/06/54/682480654.db2.gz	AVQQUNVMANXPQV-CQSZACIVSA-N	-1	3	354.309	2.111	20	30		FEEDHM
C#CCOCCc1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1	ZINC000789867526	682635461	/nfs/dbraw/zinc/63/54/61/682635461.db2.gz	HXWVDECPSBICSR-UHFFFAOYSA-N	-1	3	374.198	2.477	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H]2CCC[C@@H]3C[C@@H]32)ccc1F	ZINC000855773901	682709708	/nfs/dbraw/zinc/70/97/08/682709708.db2.gz	FODJAAPTSWNEDG-SNPRPXQTSA-N	-1	3	366.458	2.456	20	30		FEEDHM
C=CC(C)(C)C(=O)NCc1nc(CNC(=O)OC(C)(C)C)cc(=O)[n-]1	ZINC000856334296	682767249	/nfs/dbraw/zinc/76/72/49/682767249.db2.gz	RZURLLRSDPLQGE-UHFFFAOYSA-N	-1	3	350.419	2.035	20	30		FEEDHM
COC(=O)C[C@@H]1CCC(=N[N-]S(=O)(=O)CCc2ccccc2)[C@H]1C	ZINC000794516804	682974650	/nfs/dbraw/zinc/97/46/50/682974650.db2.gz	WNZWHUDIZGMINE-ZFWWWQNUSA-N	-1	3	352.456	2.114	20	30		FEEDHM
N#Cc1ccc(C[N-]S(=O)(=O)c2cccc(Br)c2F)nc1	ZINC000798452230	683350403	/nfs/dbraw/zinc/35/04/03/683350403.db2.gz	CRUOJDZODJCSNP-UHFFFAOYSA-N	-1	3	370.203	2.333	20	30		FEEDHM
C#C[C@@H](NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)C(C)C	ZINC000799045008	683417278	/nfs/dbraw/zinc/41/72/78/683417278.db2.gz	XOWTYKWWAJAOOC-CQSZACIVSA-N	-1	3	363.414	2.342	20	30		FEEDHM
O=C(N[C@H]1CCCN([O-])C1=O)c1ccc(OC(F)(F)F)c(Cl)c1	ZINC000861828231	683481414	/nfs/dbraw/zinc/48/14/14/683481414.db2.gz	PNZCRMHEXVLYJL-VIFPVBQESA-N	-1	3	352.696	2.349	20	30		FEEDHM
COC(=O)C1(C#N)CCN(C(=O)c2cc([O-])cc(Br)c2)CC1	ZINC000861901609	683496333	/nfs/dbraw/zinc/49/63/33/683496333.db2.gz	UGQNFRVPQOQEKN-UHFFFAOYSA-N	-1	3	367.199	2.074	20	30		FEEDHM
C#CCC1([N-]S(=O)(=O)c2cn(C)nc2Br)CCCCC1	ZINC000922029657	683641956	/nfs/dbraw/zinc/64/19/56/683641956.db2.gz	YOLNXWFLHDUZQE-UHFFFAOYSA-N	-1	3	360.277	2.187	20	30		FEEDHM
C[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OCCCC(C)(F)F	ZINC000922146749	683669476	/nfs/dbraw/zinc/66/94/76/683669476.db2.gz	DRMKTPIUKDSQJT-SNVBAGLBSA-N	-1	3	360.382	2.092	20	30		FEEDHM
[O-]c1cccc(Br)c1C=NNC(=S)NC[C@@H]1CCCO1	ZINC000863068677	683675038	/nfs/dbraw/zinc/67/50/38/683675038.db2.gz	IOVSLOJVEJPTJL-VIFPVBQESA-N	-1	3	358.261	2.132	20	30		FEEDHM
C=C[C@@H](C)[N-]S(=O)(=O)N=[S@@](C)(=O)c1cccc(Br)c1	ZINC000866950103	684185642	/nfs/dbraw/zinc/18/56/42/684185642.db2.gz	XRGAERDPLDLVIV-LZVRBXCZSA-N	-1	3	367.290	2.315	20	30		FEEDHM
CSc1cc(C(=O)N[C@@H]2CCCN([O-])C2=O)ccc1Br	ZINC000868563277	684511880	/nfs/dbraw/zinc/51/18/80/684511880.db2.gz	PSTHCHUIHNDUNJ-SNVBAGLBSA-N	-1	3	359.245	2.281	20	30		FEEDHM
C=C[C@H](C(=O)OC)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21	ZINC000879467494	686828738	/nfs/dbraw/zinc/82/87/38/686828738.db2.gz	IEMPEYPKLWLGKA-DGCLKSJQSA-N	-1	3	356.344	2.386	20	30		FEEDHM
COC(=O)[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccsc2C#N)c2ccccc21	ZINC000882653762	687428650	/nfs/dbraw/zinc/42/86/50/687428650.db2.gz	BMLDUBKWRXWDAT-OLZOCXBDSA-N	-1	3	362.432	2.300	20	30		FEEDHM
O=C(Nc1ncc(-c2ccccc2F)s1)N[C@@H]1CCCN([O-])C1=O	ZINC000888764133	688666338	/nfs/dbraw/zinc/66/63/38/688666338.db2.gz	BVEFCACRZJHIJW-LLVKDONJSA-N	-1	3	350.375	2.451	20	30		FEEDHM
C#C[C@H]1CCCCN1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1	ZINC000890647945	688950969	/nfs/dbraw/zinc/95/09/69/688950969.db2.gz	PGWWHTBYUHPCTH-AWEZNQCLSA-N	-1	3	352.431	2.140	20	30		FEEDHM
O=C1[C@@H](NCc2nc(-c3cccc(Br)c3)c[nH]2)CCCN1[O-]	ZINC000895166847	689670303	/nfs/dbraw/zinc/67/03/03/689670303.db2.gz	SHUYDENZTUAAHS-LBPRGKRZSA-N	-1	3	365.231	2.309	20	30		FEEDHM
COC1(CS(=O)(=O)[N-]c2ccc(C#N)cc2C2CC2)CCOCC1	ZINC000901966678	690723279	/nfs/dbraw/zinc/72/32/79/690723279.db2.gz	SITZSCWOMZUFSX-UHFFFAOYSA-N	-1	3	350.440	2.373	20	30		FEEDHM
O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]12)N([O-])Cc1ccc(F)cc1	ZINC000904173272	691009869	/nfs/dbraw/zinc/00/98/69/691009869.db2.gz	IAFDIZSBWVFKQK-YCPHGPKFSA-N	-1	3	367.446	2.269	20	30		FEEDHM
O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)N([O-])Cc1ccccc1Cl	ZINC000904187865	691011149	/nfs/dbraw/zinc/01/11/49/691011149.db2.gz	VJGPLBAGAYYABS-CHWSQXEVSA-N	-1	3	350.802	2.233	20	30		FEEDHM
C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccccc1[N-]S(C)(=O)=O	ZINC000029830790	539865049	/nfs/dbraw/zinc/86/50/49/539865049.db2.gz	OUDFXGIGLHIDAU-LBPRGKRZSA-N	-1	3	359.407	2.336	20	30		FEEDHM
COc1cc(F)c(S(=O)(=O)[N-]Cc2cccc(C#N)c2)cc1OC	ZINC000042007834	540045528	/nfs/dbraw/zinc/04/55/28/540045528.db2.gz	JUEWPBRBIZBOSV-UHFFFAOYSA-N	-1	3	350.371	2.193	20	30		FEEDHM
Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NCc1ccc(C#N)cc1	ZINC000065737670	541256504	/nfs/dbraw/zinc/25/65/04/541256504.db2.gz	HOPKWMORYWLGDM-UHFFFAOYSA-N	-1	3	373.416	2.261	20	30		FEEDHM
N#Cc1cccc(Oc2ccc(NC(=O)CC[C@@H]3NC(=O)[N-]C3=O)cc2)c1	ZINC000066840965	541378754	/nfs/dbraw/zinc/37/87/54/541378754.db2.gz	USNSKAYNTJPSRF-INIZCTEOSA-N	-1	3	364.361	2.277	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1cccc([N+](=O)[O-])c1	ZINC000067070791	541413939	/nfs/dbraw/zinc/41/39/39/541413939.db2.gz	NJMQUUFLXCTJMW-UHFFFAOYSA-N	-1	3	354.366	2.021	20	30		FEEDHM
CCS(=O)(=O)[N-]c1ccc(NC(=O)N(C)C[C@@H](C)C#N)cc1OC	ZINC000068628851	541614474	/nfs/dbraw/zinc/61/44/74/541614474.db2.gz	UANJFTAFXPVWIQ-NSHDSACASA-N	-1	3	354.432	2.080	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCOc2ccccc2C1	ZINC000080439304	542589535	/nfs/dbraw/zinc/58/95/35/542589535.db2.gz	LGVOWZQKEBSXAU-UHFFFAOYSA-N	-1	3	351.406	2.217	20	30		FEEDHM
CC[C@H](C)[C@@H]([N-]S(C)(=O)=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1	ZINC000114233562	543508867	/nfs/dbraw/zinc/50/88/67/543508867.db2.gz	ISUVIYKWDMKCQP-SWLSCSKDSA-N	-1	3	351.472	2.390	20	30		FEEDHM
Cc1nnnn1-c1ccc(F)c([N-]S(=O)(=O)c2cc(C#N)ccc2C)c1	ZINC000114674032	543529039	/nfs/dbraw/zinc/52/90/39/543529039.db2.gz	JLCPMXGYXUIVEO-UHFFFAOYSA-N	-1	3	372.385	2.091	20	30		FEEDHM
C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)n1ccc(C=N[O-])nc1=O	ZINC000802728670	674193598	/nfs/dbraw/zinc/19/35/98/674193598.db2.gz	CVKSEMGAWWLTLY-SNVBAGLBSA-N	-1	3	366.780	2.064	20	30		FEEDHM
C[C@@H]1CCC[C@](C#N)(NC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)C1	ZINC000116805142	543616223	/nfs/dbraw/zinc/61/62/23/543616223.db2.gz	YJPABSFFPHWFRM-BZNIZROVSA-N	-1	3	353.419	2.399	20	30		FEEDHM
CC(C)(C)N1CCC([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)CC1	ZINC000124320735	543814229	/nfs/dbraw/zinc/81/42/29/543814229.db2.gz	GNPIVWBNZWUJNM-UHFFFAOYSA-N	-1	3	357.426	2.378	20	30		FEEDHM
C[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CN1C1CC1	ZINC000124011105	543796338	/nfs/dbraw/zinc/79/63/38/543796338.db2.gz	GCABBARAYGEKBL-CMPLNLGQSA-N	-1	3	373.400	2.481	20	30		FEEDHM
Cc1sc(S(=O)(=O)[N-]CCOc2ccc(C#N)cc2)cc1[N+](=O)[O-]	ZINC000124685294	543836616	/nfs/dbraw/zinc/83/66/16/543836616.db2.gz	JHUDHLKUKPSDSC-UHFFFAOYSA-N	-1	3	367.408	2.194	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCC[C@@H]1CCCC[C@@H]1O	ZINC000134477554	544309952	/nfs/dbraw/zinc/30/99/52/544309952.db2.gz	WTSBCVFWNHKBCA-YJBOKZPZSA-N	-1	3	359.470	2.244	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H]3CCC[C@H]3C2)ccc1F	ZINC000152513954	544664210	/nfs/dbraw/zinc/66/42/10/544664210.db2.gz	PCDARRATUPGPHQ-KBPBESRZSA-N	-1	3	352.431	2.162	20	30		FEEDHM
Cc1noc(C)c1[C@H](C)CNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C	ZINC000152948354	544715571	/nfs/dbraw/zinc/71/55/71/544715571.db2.gz	WVVJFFVBYGSJQL-SNVBAGLBSA-N	-1	3	356.426	2.321	20	30		FEEDHM
CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]Cc1cc(C#N)ccc1F	ZINC000180798513	327702475	/nfs/dbraw/zinc/70/24/75/327702475.db2.gz	UUVXJRABORPMRL-UHFFFAOYSA-N	-1	3	366.370	2.118	20	30		FEEDHM
COC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)nc1)c1ccc(Cl)cc1	ZINC000192929111	328347368	/nfs/dbraw/zinc/34/73/68/328347368.db2.gz	MSOKDYXERFJCAT-OAHLLOKOSA-N	-1	3	351.815	2.273	20	30		FEEDHM
Cc1sc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c(C(N)=O)c1C	ZINC000119658573	326185205	/nfs/dbraw/zinc/18/52/05/326185205.db2.gz	DSIKXRNLWXTYEZ-UHFFFAOYSA-N	-1	3	372.450	2.212	20	30		FEEDHM
CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1ccc(Cc2nnn[n-]2)cc1	ZINC000120816115	326290891	/nfs/dbraw/zinc/29/08/91/326290891.db2.gz	HTJFWNSSUOPMLY-UHFFFAOYSA-N	-1	3	362.393	2.458	20	30		FEEDHM
CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1ccc(Cc2nn[n-]n2)cc1	ZINC000120816115	326290895	/nfs/dbraw/zinc/29/08/95/326290895.db2.gz	HTJFWNSSUOPMLY-UHFFFAOYSA-N	-1	3	362.393	2.458	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)[C@@H](O)Cc1ccccc1	ZINC000129211537	326536405	/nfs/dbraw/zinc/53/64/05/326536405.db2.gz	NAWFUHFVMSCFGE-LRDDRELGSA-N	-1	3	364.854	2.482	20	30		FEEDHM
COc1ccc(CN(C)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1O	ZINC000135518712	326643041	/nfs/dbraw/zinc/64/30/41/326643041.db2.gz	QVINLFMYTJDNHS-UHFFFAOYSA-N	-1	3	369.421	2.169	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)[C@H](O)c1ccc(F)cc1	ZINC000161969701	327013575	/nfs/dbraw/zinc/01/35/75/327013575.db2.gz	AURIYQANUBRSJK-YJYMSZOUSA-N	-1	3	371.412	2.173	20	30		FEEDHM
Cc1ccc(C(=O)NCCC(=O)NCc2cc(C#N)ccc2F)c([O-])c1	ZINC000174547565	327333972	/nfs/dbraw/zinc/33/39/72/327333972.db2.gz	WQGPGGYXGKFINF-UHFFFAOYSA-N	-1	3	355.369	2.148	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]C2CCC(O)(c3cccnc3)CC2)s1	ZINC000367198891	330228705	/nfs/dbraw/zinc/22/87/05/330228705.db2.gz	GYLCFQLLNDMUBG-UHFFFAOYSA-N	-1	3	363.464	2.123	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)OCC(=O)CC(C)(C)C)ccc1F	ZINC000805392392	674334669	/nfs/dbraw/zinc/33/46/69/674334669.db2.gz	QIRSURBYFMSYRE-UHFFFAOYSA-N	-1	3	371.430	2.452	20	30		FEEDHM
N#Cc1cc(F)ccc1S(=O)(=O)[N-]Cc1ccn(-c2ccccc2)n1	ZINC000156601345	545639042	/nfs/dbraw/zinc/63/90/42/545639042.db2.gz	UYOITBZSAZMXQU-UHFFFAOYSA-N	-1	3	356.382	2.362	20	30		FEEDHM
C[C@H](C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)N(C)c1ccccc1	ZINC000156762268	545656254	/nfs/dbraw/zinc/65/62/54/545656254.db2.gz	DXMIABBNGDANFR-CYBMUJFWSA-N	-1	3	374.422	2.270	20	30		FEEDHM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]CCc1ccc(F)cc1F	ZINC000157498465	545748786	/nfs/dbraw/zinc/74/87/86/545748786.db2.gz	BPVNWTVOUPFPNT-UHFFFAOYSA-N	-1	3	367.333	2.266	20	30		FEEDHM
CC(C)CCN(CCC#N)C(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1	ZINC000157665576	545768908	/nfs/dbraw/zinc/76/89/08/545768908.db2.gz	RCCHXPBFAWYNIE-LJQANCHMSA-N	-1	3	356.426	2.143	20	30		FEEDHM
Cc1ccc(C#N)cc1NC(=O)NCC[N-]S(=O)(=O)c1cccs1	ZINC000158531637	545869899	/nfs/dbraw/zinc/86/98/99/545869899.db2.gz	BKDVUMJMEHBEHL-UHFFFAOYSA-N	-1	3	364.452	2.028	20	30		FEEDHM
Cc1noc(C)c1[C@H](C)C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000158686570	545884620	/nfs/dbraw/zinc/88/46/20/545884620.db2.gz	XLDTXNQWFYLNBD-SECBINFHSA-N	-1	3	364.383	2.153	20	30		FEEDHM
COC(=O)c1cc(F)cc([N-]S(=O)(=O)c2cccc(C#N)c2)c1F	ZINC000478693363	561172935	/nfs/dbraw/zinc/17/29/35/561172935.db2.gz	CXGXOLOWLAWBFA-UHFFFAOYSA-N	-1	3	352.318	2.424	20	30		FEEDHM
N#Cc1ccc(Cn2cnc([N-]C(=O)c3ncc(C#N)cc3Cl)n2)cc1	ZINC000480209041	561204904	/nfs/dbraw/zinc/20/49/04/561204904.db2.gz	MCPDSAXCAHDNGH-UHFFFAOYSA-N	-1	3	363.768	2.370	20	30		FEEDHM
N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C[C@@H]1COc2ccccc2O1	ZINC000480302367	561206730	/nfs/dbraw/zinc/20/67/30/561206730.db2.gz	UGPOCIQGLXUVQT-LLVKDONJSA-N	-1	3	364.810	2.330	20	30		FEEDHM
C=CCS(=O)(=O)[N-]C(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1CCC	ZINC000528972919	562354756	/nfs/dbraw/zinc/35/47/56/562354756.db2.gz	DZSPIHMSPAGOCL-IAGOWNOFSA-N	-1	3	350.484	2.167	20	30		FEEDHM
Cc1ccsc1[C@@H](CO)[N-]S(=O)(=O)Cc1ccc(C#N)cc1F	ZINC000480727644	561215377	/nfs/dbraw/zinc/21/53/77/561215377.db2.gz	DDAMNZCCKGWZFS-CQSZACIVSA-N	-1	3	354.428	2.220	20	30		FEEDHM
N#Cc1c(Cl)cccc1S(=O)(=O)[N-]Cc1cccc(-n2cncn2)c1	ZINC000178547311	546810941	/nfs/dbraw/zinc/81/09/41/546810941.db2.gz	CIGXAGVLFAKLSZ-UHFFFAOYSA-N	-1	3	373.825	2.271	20	30		FEEDHM
Cc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)c(=O)n(C)c1	ZINC000481585877	561236786	/nfs/dbraw/zinc/23/67/86/561236786.db2.gz	IYJVHWRCRHVGML-UHFFFAOYSA-N	-1	3	371.340	2.385	20	30		FEEDHM
COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@H](C#N)C1CCCCC1	ZINC000179237684	546918727	/nfs/dbraw/zinc/91/87/27/546918727.db2.gz	WIROCRJJKHAXPZ-CYBMUJFWSA-N	-1	3	354.428	2.434	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)[C@H](O)Cc1ccccc1	ZINC000180188199	547065582	/nfs/dbraw/zinc/06/55/82/547065582.db2.gz	GXAXVUSOLXCIRE-BLLLJJGKSA-N	-1	3	364.854	2.482	20	30		FEEDHM
COc1c2cnn(C)c2ncc1C([O-])=C(C#N)c1nc2ccccc2n1C	ZINC000181462902	547318795	/nfs/dbraw/zinc/31/87/95/547318795.db2.gz	CEJNRXNMDHMGGD-LLVKDONJSA-N	-1	3	360.377	2.354	20	30		FEEDHM
Cc1nn(CCS(C)(=O)=O)c(C)c1C(=O)/C=C/c1cc([O-])cc(F)c1	ZINC000184760646	547875720	/nfs/dbraw/zinc/87/57/20/547875720.db2.gz	WEGPBFXYRJVSPO-SNAWJCMRSA-N	-1	3	366.414	2.285	20	30		FEEDHM
CC[C@@H](CC#N)[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1	ZINC000186428442	548134298	/nfs/dbraw/zinc/13/42/98/548134298.db2.gz	VBCQMVFJTRSLPD-QMMMGPOBSA-N	-1	3	362.205	2.328	20	30		FEEDHM
N#CC1(NC(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)CCOCC1	ZINC000187033997	548245207	/nfs/dbraw/zinc/24/52/07/548245207.db2.gz	VDVKGHKYIMMDNJ-UHFFFAOYSA-N	-1	3	350.374	2.426	20	30		FEEDHM
C[C@H](CC#N)NC(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1	ZINC000194621164	548506651	/nfs/dbraw/zinc/50/66/51/548506651.db2.gz	KUKCDNDLSMLOFV-SNVBAGLBSA-N	-1	3	369.493	2.320	20	30		FEEDHM
C=C(C)COCC[N-]S(=O)(=O)c1ccc(Br)c(F)c1	ZINC000230219715	548759046	/nfs/dbraw/zinc/75/90/46/548759046.db2.gz	VXQSQABEJVRBOE-UHFFFAOYSA-N	-1	3	352.225	2.459	20	30		FEEDHM
Cc1ncc(CO)c(/C=N/CC2(CN3CCOCC3)CCCCC2)c1[O-]	ZINC000267575106	550033076	/nfs/dbraw/zinc/03/30/76/550033076.db2.gz	PHXNVBFVWGABOE-CIAFOILYSA-N	-1	3	361.486	2.290	20	30		FEEDHM
C=CCCOCCNC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-]	ZINC000273285695	550493260	/nfs/dbraw/zinc/49/32/60/550493260.db2.gz	BBLZPISDDOQFHC-UHFFFAOYSA-N	-1	3	359.382	2.263	20	30		FEEDHM
C=CCCO[C@H](C)c1nc(-c2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)no1	ZINC000273826758	550512773	/nfs/dbraw/zinc/51/27/73/550512773.db2.gz	VWZZRXFSANABIP-ADLMAVQZSA-N	-1	3	356.382	2.445	20	30		FEEDHM
C#CCN(C(=O)c1cc(C(C)C)nc2c1c(=O)[n-]c(=O)n2CCC)C1CC1	ZINC000274130658	550524288	/nfs/dbraw/zinc/52/42/88/550524288.db2.gz	VJZIMBYSSUEYIC-UHFFFAOYSA-N	-1	3	368.437	2.268	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-]C[C@H](c1ccco1)N1CCCCC1	ZINC000276973705	550617225	/nfs/dbraw/zinc/61/72/25/550617225.db2.gz	GCLGCJZOINFGPZ-OAHLLOKOSA-N	-1	3	360.439	2.052	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@H](C)OC2(CCOCC2)C1	ZINC000279108359	550855038	/nfs/dbraw/zinc/85/50/38/550855038.db2.gz	DQMXVJPOGKHMRP-ZDUSSCGKSA-N	-1	3	373.453	2.005	20	30		FEEDHM
C=C(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cncc(Br)c1	ZINC000280489847	550999414	/nfs/dbraw/zinc/99/94/14/550999414.db2.gz	AZZBUUKAMNABNF-GXFFZTMASA-N	-1	3	361.261	2.104	20	30		FEEDHM
C#CCN(CC#N)C(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C(C)(C)C)c1	ZINC000281026808	551056075	/nfs/dbraw/zinc/05/60/75/551056075.db2.gz	BMFMNGMQUSIZIS-UHFFFAOYSA-N	-1	3	367.858	2.016	20	30		FEEDHM
Cc1nc(C(C)(C)[N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)no1	ZINC000282762884	551267513	/nfs/dbraw/zinc/26/75/13/551267513.db2.gz	VNTWJRPCRBOXLM-UHFFFAOYSA-N	-1	3	374.344	2.482	20	30		FEEDHM
COc1cc([C@@H](C)[N-]S(=O)(=O)c2ccc(C#N)o2)cc(OC)c1OC	ZINC000286521285	551895434	/nfs/dbraw/zinc/89/54/34/551895434.db2.gz	FTWJHEHJZWMHHJ-SNVBAGLBSA-N	-1	3	366.395	2.217	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCC(=O)N[C@H]1C(C)(C)C	ZINC000286569520	551901098	/nfs/dbraw/zinc/90/10/98/551901098.db2.gz	MHJVPJNNFLCYQS-CRAIPNDOSA-N	-1	3	372.469	2.018	20	30		FEEDHM
CCN1CCC([N-]S(=O)(=O)c2cccc(Br)c2C#N)CC1	ZINC000286703911	551916726	/nfs/dbraw/zinc/91/67/26/551916726.db2.gz	RJCUCZIQDYTXCB-UHFFFAOYSA-N	-1	3	372.288	2.083	20	30		FEEDHM
C=C(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cccnc1C(F)(F)F	ZINC000287484888	552010478	/nfs/dbraw/zinc/01/04/78/552010478.db2.gz	SZINIDIBHPLKOP-CMPLNLGQSA-N	-1	3	350.362	2.360	20	30		FEEDHM
CC1([N-]S(=O)(=O)c2cccc(Br)c2C#N)CCOCC1	ZINC000287872701	552057337	/nfs/dbraw/zinc/05/73/37/552057337.db2.gz	QDEFSUOAWIARMY-UHFFFAOYSA-N	-1	3	359.245	2.168	20	30		FEEDHM
COc1ccc(C[C@@](C)(O)C/N=C/c2ccc(O)c([O-])c2O)cc1OC	ZINC000290566474	552499183	/nfs/dbraw/zinc/49/91/83/552499183.db2.gz	NVWLWQVLZZLWDM-DKLCPLSMSA-N	-1	3	361.394	2.233	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]c2cc([C@@H]3CCCOC3)n[nH]2)cc1F	ZINC000291806456	552663573	/nfs/dbraw/zinc/66/35/73/552663573.db2.gz	BYTCULFBMHYHRC-LLVKDONJSA-N	-1	3	350.375	2.115	20	30		FEEDHM
COC[C@H]([N-]S(=O)(=O)Cc1ccc(F)cc1C#N)c1ccc(C)o1	ZINC000295164988	552965300	/nfs/dbraw/zinc/96/53/00/552965300.db2.gz	FSPRGQBIBYETIQ-HNNXBMFYSA-N	-1	3	352.387	2.406	20	30		FEEDHM
Cn1cc(I)c(=NC(=O)[C@@]2(C#N)CC23CCCC3)[n-]1	ZINC000602384800	553573624	/nfs/dbraw/zinc/57/36/24/553573624.db2.gz	ALZLAJDGJLMZKN-ZDUSSCGKSA-N	-1	3	370.194	2.437	20	30		FEEDHM
C=CCC(C)(C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC	ZINC000326899739	553784474	/nfs/dbraw/zinc/78/44/74/553784474.db2.gz	KSYATBMPMDOIGY-UHFFFAOYSA-N	-1	3	356.400	2.262	20	30		FEEDHM
CS(=O)(=O)[N-]c1cc(NC(=O)Cc2c(F)cccc2C#N)ccc1F	ZINC000505938177	561685526	/nfs/dbraw/zinc/68/55/26/561685526.db2.gz	KPFAKHDCIOCFGL-UHFFFAOYSA-N	-1	3	365.361	2.389	20	30		FEEDHM
Cc1nnc([C@H]2CCCN(C(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)C2)[nH]1	ZINC000329490007	553956400	/nfs/dbraw/zinc/95/64/00/553956400.db2.gz	UYUUPPNUBMHRMD-AWEZNQCLSA-N	-1	3	368.441	2.041	20	30		FEEDHM
CCn1c(=O)[n-]c(=O)c2c(C(=O)NC[C@@H]3CCCC3=O)cc(C3CC3)nc21	ZINC000330041330	554053719	/nfs/dbraw/zinc/05/37/19/554053719.db2.gz	CXTVWDUNUMGYLE-NSHDSACASA-N	-1	3	370.409	2.068	20	30		FEEDHM
COCC[C@](C)(C#N)[N-]S(=O)(=O)c1ccc(Br)c(F)c1	ZINC000508068989	561750235	/nfs/dbraw/zinc/75/02/35/561750235.db2.gz	PRLVTTDUSCYEPW-GFCCVEGCSA-N	-1	3	365.224	2.185	20	30		FEEDHM
CSCC[C@](C)(C#N)[N-]S(=O)(=O)c1cnccc1C(F)(F)F	ZINC000508086993	561751052	/nfs/dbraw/zinc/75/10/52/561751052.db2.gz	FCDCTJZNNRPZJL-LLVKDONJSA-N	-1	3	353.391	2.414	20	30		FEEDHM
CCCS(=O)(=O)N1CCC(NC(=O)c2cc(CC)ccc2[O-])CC1	ZINC000331230697	554234348	/nfs/dbraw/zinc/23/43/48/554234348.db2.gz	HMMZMBIBADBFTF-UHFFFAOYSA-N	-1	3	354.472	2.463	20	30		FEEDHM
CO[C@@H](C)CS(=O)(=O)[N-]c1ccc2c(c1)CCC(=O)N2CCCC#N	ZINC000509386670	561797436	/nfs/dbraw/zinc/79/74/36/561797436.db2.gz	LZQOJQJCWFHGKG-ZDUSSCGKSA-N	-1	3	365.455	2.046	20	30		FEEDHM
C=C(C)CN(CC)C(=O)c1cc(C2CC2)nc2c1c(=O)[n-]c(=O)n2CC	ZINC000509702180	561811102	/nfs/dbraw/zinc/81/11/02/561811102.db2.gz	OIPIKAYOMTWFNJ-UHFFFAOYSA-N	-1	3	356.426	2.433	20	30		FEEDHM
N#Cc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CC12CCOCC2	ZINC000333213159	554589637	/nfs/dbraw/zinc/58/96/37/554589637.db2.gz	UYQDZSYMISNQTB-CYBMUJFWSA-N	-1	3	371.256	2.168	20	30		FEEDHM
COc1cc(C(=O)N2CCC[C@]3(CCCCO3)[C@@H]2C#N)cc(OC)c1[O-]	ZINC000366187858	555775556	/nfs/dbraw/zinc/77/55/56/555775556.db2.gz	ZIEMVSVGYGWUQP-QFBILLFUSA-N	-1	3	360.410	2.477	20	30		FEEDHM
C=C(C)CN(CC)C(=O)C[N-]S(=O)(=O)c1ccccc1C(F)(F)F	ZINC000514954416	561988507	/nfs/dbraw/zinc/98/85/07/561988507.db2.gz	BIYNFEJMVDRGFJ-UHFFFAOYSA-N	-1	3	364.389	2.408	20	30		FEEDHM
C=CCCCCC[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000518796090	562118795	/nfs/dbraw/zinc/11/87/95/562118795.db2.gz	QMMRPVCAKIQKJR-UHFFFAOYSA-N	-1	3	356.400	2.391	20	30		FEEDHM
C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CC(S(=O)(=O)[N-]c2ccccc2)C1	ZINC000373275031	557663054	/nfs/dbraw/zinc/66/30/54/557663054.db2.gz	OUKYRRFDQIVKGZ-IAGOWNOFSA-N	-1	3	364.467	2.010	20	30		FEEDHM
Cc1c([O-])ccc2c(CN3CCC(n4cnc(C#N)n4)CC3)cc(=O)oc12	ZINC000373414120	557689083	/nfs/dbraw/zinc/68/90/83/557689083.db2.gz	VGYVJLQNVBZGTH-UHFFFAOYSA-N	-1	3	365.393	2.107	20	30		FEEDHM
COc1ccc(S(=O)(=O)[N-]c2cccc(CNC(=O)[C@H](C)C#N)c2)cc1	ZINC000522977130	562206931	/nfs/dbraw/zinc/20/69/31/562206931.db2.gz	XPXMUTWFWLYPOB-CYBMUJFWSA-N	-1	3	373.434	2.272	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCC[C@@H]1c1ncon1	ZINC000523147214	562209068	/nfs/dbraw/zinc/20/90/68/562209068.db2.gz	UPBSXAGOYFZAAA-OAHLLOKOSA-N	-1	3	355.398	2.345	20	30		FEEDHM
C=C1CCN(C(=O)c2cc(C3CC3)nc3c2c(=O)[n-]c(=O)n3CC)CC1	ZINC000524703522	562232631	/nfs/dbraw/zinc/23/26/31/562232631.db2.gz	FRNVPNMASUVRIF-UHFFFAOYSA-N	-1	3	354.410	2.187	20	30		FEEDHM
C=CC[C@@H](CC)NC(=O)c1cc(C2CC2)nc2c1c(=O)[n-]c(=O)n2CC	ZINC000410131150	558740742	/nfs/dbraw/zinc/74/07/42/558740742.db2.gz	PLLQKSROMXCFFP-GFCCVEGCSA-N	-1	3	356.426	2.479	20	30		FEEDHM
CC[C@@](C)(C#N)NC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1	ZINC000526888073	562269150	/nfs/dbraw/zinc/26/91/50/562269150.db2.gz	XDEMKLLGHXODLC-ZDUSSCGKSA-N	-1	3	363.361	2.499	20	30		FEEDHM
N#Cc1ccc(Br)cc1S(=O)(=O)[N-]C[C@@H]1CCC[C@H](O)C1	ZINC000416407427	559310665	/nfs/dbraw/zinc/31/06/65/559310665.db2.gz	KEVXGORXGNRWED-MFKMUULPSA-N	-1	3	373.272	2.150	20	30		FEEDHM
C[C@@H]1CC[C@H](C[N-]S(=O)(=O)c2cc(Br)ccc2C#N)O1	ZINC000416539184	559320540	/nfs/dbraw/zinc/32/05/40/559320540.db2.gz	YBVFKSRKTWRHIO-BXKDBHETSA-N	-1	3	359.245	2.167	20	30		FEEDHM
C=CCn1cccc1C(=O)NC[C@H](Cc1ccc([O-])c(F)c1)C(=O)OC	ZINC000422033825	559561742	/nfs/dbraw/zinc/56/17/42/559561742.db2.gz	CQPRSKLUMKANDE-AWEZNQCLSA-N	-1	3	360.385	2.281	20	30		FEEDHM
C=CCC1(C(=O)N2CCN(C(=O)c3cccc([O-])c3)CC2)CCOCC1	ZINC000424705704	559674281	/nfs/dbraw/zinc/67/42/81/559674281.db2.gz	ANFOLAGTAZXGDK-UHFFFAOYSA-N	-1	3	358.438	2.050	20	30		FEEDHM
C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(F)ccc1Br	ZINC000425177206	559689699	/nfs/dbraw/zinc/68/96/99/559689699.db2.gz	FCYHBLGWNSUATG-CABZTGNLSA-N	-1	3	364.236	2.458	20	30		FEEDHM
CN(CCOCc1ccc(C#N)cc1)C(=O)c1cc(F)cc2[n-]nnc21	ZINC000426023422	559727915	/nfs/dbraw/zinc/72/79/15/559727915.db2.gz	QJGAQNXWBKLLLY-UHFFFAOYSA-N	-1	3	353.357	2.257	20	30		FEEDHM
CN(CCOCc1ccc(C#N)cc1)C(=O)c1cc(F)cc2nn[n-]c21	ZINC000426023422	559727916	/nfs/dbraw/zinc/72/79/16/559727916.db2.gz	QJGAQNXWBKLLLY-UHFFFAOYSA-N	-1	3	353.357	2.257	20	30		FEEDHM
CN(CCOCc1ccc(C#N)cc1)C(=O)c1cc(F)cc2n[n-]nc21	ZINC000426023422	559727917	/nfs/dbraw/zinc/72/79/17/559727917.db2.gz	QJGAQNXWBKLLLY-UHFFFAOYSA-N	-1	3	353.357	2.257	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-]Cc1ccccc1OCC(F)(F)F	ZINC000428242209	559772095	/nfs/dbraw/zinc/77/20/95/559772095.db2.gz	LSBOOKILEMXXSB-UHFFFAOYSA-N	-1	3	371.340	2.373	20	30		FEEDHM
CCOc1ccc([C@H](C)[N-]S(=O)(=O)c2cccnc2C#N)cc1OC	ZINC000428269092	559772686	/nfs/dbraw/zinc/77/26/86/559772686.db2.gz	OOZUGBIFMJVQDZ-LBPRGKRZSA-N	-1	3	361.423	2.400	20	30		FEEDHM
CCOC(=O)[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)s1)c1ccccc1	ZINC000435434209	559922903	/nfs/dbraw/zinc/92/29/03/559922903.db2.gz	WOQPTPUYEUNUFF-AWEZNQCLSA-N	-1	3	364.448	2.245	20	30		FEEDHM
C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-]	ZINC000435587765	559925582	/nfs/dbraw/zinc/92/55/82/559925582.db2.gz	JALSFOAIIMLLRV-UKRRQHHQSA-N	-1	3	354.428	2.471	20	30		FEEDHM
C=C(C)[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-]	ZINC000435601308	559925978	/nfs/dbraw/zinc/92/59/78/559925978.db2.gz	LJSJIBGCVJEFGZ-ZFWWWQNUSA-N	-1	3	354.428	2.471	20	30		FEEDHM
CCCN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)[C@@H](C)C(=O)OCC	ZINC000436326854	559940035	/nfs/dbraw/zinc/94/00/35/559940035.db2.gz	QQBYWWNZZBGQGM-AWEZNQCLSA-N	-1	3	361.442	2.399	20	30		FEEDHM
Cc1ccc(C(=O)NCCC(=O)N[C@@H](C#N)c2ccccc2F)c([O-])c1	ZINC000436967956	559957836	/nfs/dbraw/zinc/95/78/36/559957836.db2.gz	ZTTQYHICPRFZFJ-INIZCTEOSA-N	-1	3	355.369	2.341	20	30		FEEDHM
COc1cc(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)ccc1C#N	ZINC000442812346	560058000	/nfs/dbraw/zinc/05/80/00/560058000.db2.gz	QQOKTLKLJZSFMT-UHFFFAOYSA-N	-1	3	351.406	2.230	20	30		FEEDHM
N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CCC(=O)NC1CCCCC1	ZINC000443011663	560065808	/nfs/dbraw/zinc/06/58/08/560065808.db2.gz	QPNQZIYUJOCSQD-UHFFFAOYSA-N	-1	3	369.874	2.329	20	30		FEEDHM
CCOC(=O)[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)[C@H](C)CC	ZINC000443305097	560078681	/nfs/dbraw/zinc/07/86/81/560078681.db2.gz	CHNVFUFLBTYZQP-QMTHXVAHSA-N	-1	3	358.847	2.468	20	30		FEEDHM
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]CC1CCC(C#N)CC1	ZINC000451512233	560311236	/nfs/dbraw/zinc/31/12/36/560311236.db2.gz	REVGAXIRKSZFHQ-HTAVTVPLSA-N	-1	3	370.393	2.120	20	30		FEEDHM
C=CCC[C@H](CO)[N-]S(=O)(=O)c1cc(Br)ccc1F	ZINC000452018609	560345779	/nfs/dbraw/zinc/34/57/79/560345779.db2.gz	CRCMAQZZDCGKTD-SNVBAGLBSA-N	-1	3	352.225	2.194	20	30		FEEDHM
Cc1cccnc1CCC[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000451806431	560329808	/nfs/dbraw/zinc/32/98/08/560329808.db2.gz	DPDIZECFJARSEW-UHFFFAOYSA-N	-1	3	360.395	2.081	20	30		FEEDHM
COC[C@@H](C[N-]S(=O)(=O)c1cccnc1C#N)c1ccc(Cl)cc1	ZINC000451817274	560330404	/nfs/dbraw/zinc/33/04/04/560330404.db2.gz	ZCHFPZOHTAZQHI-CYBMUJFWSA-N	-1	3	365.842	2.315	20	30		FEEDHM
C=CCC[C@@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)C(=O)OCC	ZINC000451989229	560342883	/nfs/dbraw/zinc/34/28/83/560342883.db2.gz	IHNSXMDFHYEKAZ-SNVBAGLBSA-N	-1	3	366.361	2.277	20	30		FEEDHM
CO[C@](C)(C[N-]S(=O)(=O)c1cccc(Br)c1C#N)C1CC1	ZINC000462128627	560798361	/nfs/dbraw/zinc/79/83/61/560798361.db2.gz	XJBFGYLIMKNNPE-CQSZACIVSA-N	-1	3	373.272	2.414	20	30		FEEDHM
C=C[C@@H](C)[N-]S(=O)(=O)c1ccc(C(=O)OCC)cc1Br	ZINC000465476596	560865931	/nfs/dbraw/zinc/86/59/31/560865931.db2.gz	XQPUCPCWNOQGHQ-SECBINFHSA-N	-1	3	362.245	2.479	20	30		FEEDHM
C=CCn1c(=O)[n-]nc1S[C@@H](C)C(=O)Nc1cccc(NC(C)=O)c1	ZINC000470830904	560990983	/nfs/dbraw/zinc/99/09/83/560990983.db2.gz	KMBIWNSZILSSPS-JTQLQIEISA-N	-1	3	361.427	2.247	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]CCNc2ccccn2)c(C(F)(F)F)c1	ZINC000472323708	561024191	/nfs/dbraw/zinc/02/41/91/561024191.db2.gz	UPXDTFVDILXNCS-UHFFFAOYSA-N	-1	3	370.356	2.362	20	30		FEEDHM
C=CC[C@@H](CO)C[N-]S(=O)(=O)c1ccc(Br)cc1F	ZINC000476510433	561121325	/nfs/dbraw/zinc/12/13/25/561121325.db2.gz	NSBBNDXUSPFIEJ-SECBINFHSA-N	-1	3	352.225	2.051	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCN2C2CCCCC2)c(F)c1	ZINC000528470744	562330802	/nfs/dbraw/zinc/33/08/02/562330802.db2.gz	BCNOQZQMICHADJ-OAHLLOKOSA-N	-1	3	351.447	2.383	20	30		FEEDHM
C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[N-]S(=O)(=O)c1cc(Br)ccc1C#N	ZINC000528544721	562335198	/nfs/dbraw/zinc/33/51/98/562335198.db2.gz	UCTWOSUNJJSYKR-LFNDISMMSA-N	-1	3	373.272	2.411	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c(F)c1	ZINC000532857451	562490831	/nfs/dbraw/zinc/49/08/31/562490831.db2.gz	JWRJVQZCXJBZKP-APHBMKBZSA-N	-1	3	350.415	2.323	20	30		FEEDHM
N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C[C@H](CO)Cc1ccccc1	ZINC000534409031	562533551	/nfs/dbraw/zinc/53/35/51/562533551.db2.gz	KKCRMABYVLVDIL-CQSZACIVSA-N	-1	3	364.854	2.341	20	30		FEEDHM
N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H](CO)Cc1ccccc1	ZINC000534407080	562533572	/nfs/dbraw/zinc/53/35/72/562533572.db2.gz	VTHWGGIHAWJGRO-CQSZACIVSA-N	-1	3	364.854	2.341	20	30		FEEDHM
Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-][C@H](C#N)C1CCCCC1	ZINC000601962673	567887805	/nfs/dbraw/zinc/88/78/05/567887805.db2.gz	NSYKJENKGHKSLO-LLVKDONJSA-N	-1	3	350.366	2.190	20	30		FEEDHM
COC(=O)[C@@H](CC1CCCCC1)[N-]S(=O)(=O)Cc1ccc(C#N)cc1	ZINC000584676941	568192955	/nfs/dbraw/zinc/19/29/55/568192955.db2.gz	DUOKEZGEKXBVBD-QGZVFWFLSA-N	-1	3	364.467	2.490	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc2c1CCNC2	ZINC000570201422	568460966	/nfs/dbraw/zinc/46/09/66/568460966.db2.gz	LIDMPTNZNIAVTP-UHFFFAOYSA-N	-1	3	350.422	2.493	20	30		FEEDHM
CC[C@H](C#N)Oc1cccc(CNC(=O)c2cccc(-c3nnn[n-]3)c2)c1	ZINC000736310191	598867199	/nfs/dbraw/zinc/86/71/99/598867199.db2.gz	WCHZPYFVIATZNR-MRXNPFEDSA-N	-1	3	362.393	2.478	20	30		FEEDHM
CC[C@H](C#N)Oc1cccc(CNC(=O)c2cccc(-c3nn[n-]n3)c2)c1	ZINC000736310191	598867201	/nfs/dbraw/zinc/86/72/01/598867201.db2.gz	WCHZPYFVIATZNR-MRXNPFEDSA-N	-1	3	362.393	2.478	20	30		FEEDHM
C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)Cc1ccc(C#N)cc1	ZINC000736037644	598889124	/nfs/dbraw/zinc/88/91/24/598889124.db2.gz	MYAJDVCYRMDFPF-ZDUSSCGKSA-N	-1	3	363.377	2.292	20	30		FEEDHM
C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)Cc1ccc(C#N)cc1	ZINC000736037644	598889125	/nfs/dbraw/zinc/88/91/25/598889125.db2.gz	MYAJDVCYRMDFPF-ZDUSSCGKSA-N	-1	3	363.377	2.292	20	30		FEEDHM
C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1	ZINC000736167215	598916430	/nfs/dbraw/zinc/91/64/30/598916430.db2.gz	CMQAJHJQQUOFJF-LLVKDONJSA-N	-1	3	359.349	2.016	20	30		FEEDHM
C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1	ZINC000736167215	598916431	/nfs/dbraw/zinc/91/64/31/598916431.db2.gz	CMQAJHJQQUOFJF-LLVKDONJSA-N	-1	3	359.349	2.016	20	30		FEEDHM
COCCOc1ccccc1C=NNCc1ccc(-c2nnn[n-]2)cc1	ZINC000821693693	607254431	/nfs/dbraw/zinc/25/44/31/607254431.db2.gz	JROQHDPRCGPTAE-UHFFFAOYSA-N	-1	3	352.398	2.016	20	30		FEEDHM
COCCOc1ccccc1C=NNCc1ccc(-c2nn[n-]n2)cc1	ZINC000821693693	607254432	/nfs/dbraw/zinc/25/44/32/607254432.db2.gz	JROQHDPRCGPTAE-UHFFFAOYSA-N	-1	3	352.398	2.016	20	30		FEEDHM
Cc1cc(C)c(C#N)c(S[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)n1	ZINC000737239755	599011679	/nfs/dbraw/zinc/01/16/79/599011679.db2.gz	GGPUFEVMFCXYOJ-CQSZACIVSA-N	-1	3	365.422	2.069	20	30		FEEDHM
Cc1cc(C)c(C#N)c(S[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)n1	ZINC000737239755	599011680	/nfs/dbraw/zinc/01/16/80/599011680.db2.gz	GGPUFEVMFCXYOJ-CQSZACIVSA-N	-1	3	365.422	2.069	20	30		FEEDHM
COc1ccc(CN=Nc2oc(C(C)C)nc2C#N)cc1-c1nnn[n-]1	ZINC000737084155	599128852	/nfs/dbraw/zinc/12/88/52/599128852.db2.gz	YBINPRWHNRXVTP-UHFFFAOYSA-N	-1	3	352.358	2.304	20	30		FEEDHM
COc1ccc(CN=Nc2oc(C(C)C)nc2C#N)cc1-c1nn[n-]n1	ZINC000737084155	599128855	/nfs/dbraw/zinc/12/88/55/599128855.db2.gz	YBINPRWHNRXVTP-UHFFFAOYSA-N	-1	3	352.358	2.304	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Cc1ccn(C(C)C)n1	ZINC000819744170	599144981	/nfs/dbraw/zinc/14/49/81/599144981.db2.gz	YVWGZBCDVINCLP-UHFFFAOYSA-N	-1	3	365.441	2.401	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Cc1ccn(C(C)C)n1	ZINC000819744170	599144984	/nfs/dbraw/zinc/14/49/84/599144984.db2.gz	YVWGZBCDVINCLP-UHFFFAOYSA-N	-1	3	365.441	2.401	20	30		FEEDHM
N#Cc1cc(NC(=O)[C@@H]2C[C@]23CCOc2ccccc23)ccc1-c1nnn[n-]1	ZINC000737703961	599192179	/nfs/dbraw/zinc/19/21/79/599192179.db2.gz	GNKSYFMERXAJRY-JXFKEZNVSA-N	-1	3	372.388	2.417	20	30		FEEDHM
N#Cc1cc(NC(=O)[C@@H]2C[C@]23CCOc2ccccc23)ccc1-c1nn[n-]n1	ZINC000737703961	599192182	/nfs/dbraw/zinc/19/21/82/599192182.db2.gz	GNKSYFMERXAJRY-JXFKEZNVSA-N	-1	3	372.388	2.417	20	30		FEEDHM
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(C(=O)[O-])c1	ZINC000820539595	598138289	/nfs/dbraw/zinc/13/82/89/598138289.db2.gz	RWDACCICUCYPLK-UHFFFAOYSA-N	-1	3	351.406	2.460	20	30		FEEDHM
CCC(CC)CN(CCC#N)S(=O)(=O)c1cccc(-c2nnn[n-]2)c1	ZINC000736338069	598253904	/nfs/dbraw/zinc/25/39/04/598253904.db2.gz	OYWTWWTUSLUFAP-UHFFFAOYSA-N	-1	3	362.459	2.207	20	30		FEEDHM
CCC(CC)CN(CCC#N)S(=O)(=O)c1cccc(-c2nn[n-]n2)c1	ZINC000736338069	598253906	/nfs/dbraw/zinc/25/39/06/598253906.db2.gz	OYWTWWTUSLUFAP-UHFFFAOYSA-N	-1	3	362.459	2.207	20	30		FEEDHM
CN(C(=O)CCc1ccc(C#N)cc1)c1ccc(-c2nnn[n-]2)cc1F	ZINC000736731371	598281228	/nfs/dbraw/zinc/28/12/28/598281228.db2.gz	BEHZXDISDXEUBS-UHFFFAOYSA-N	-1	3	350.357	2.473	20	30		FEEDHM
CN(C(=O)CCc1ccc(C#N)cc1)c1ccc(-c2nn[n-]n2)cc1F	ZINC000736731371	598281230	/nfs/dbraw/zinc/28/12/30/598281230.db2.gz	BEHZXDISDXEUBS-UHFFFAOYSA-N	-1	3	350.357	2.473	20	30		FEEDHM
O=C(C=Cc1cnc(N2CCOCC2)s1)c1ccc(-c2nnn[n-]2)cc1	ZINC000737808501	598309109	/nfs/dbraw/zinc/30/91/09/598309109.db2.gz	UOZAYZSEWGDVEF-WAYWQWQTSA-N	-1	3	368.422	2.056	20	30		FEEDHM
O=C(C=Cc1cnc(N2CCOCC2)s1)c1ccc(-c2nn[n-]n2)cc1	ZINC000737808501	598309111	/nfs/dbraw/zinc/30/91/11/598309111.db2.gz	UOZAYZSEWGDVEF-WAYWQWQTSA-N	-1	3	368.422	2.056	20	30		FEEDHM
Cc1c(C)n(C2CCCCC2)c(NC(=O)CN(C)CC#N)c1-c1nnn[n-]1	ZINC000737204284	598524815	/nfs/dbraw/zinc/52/48/15/598524815.db2.gz	YWDXZYULFUVEPO-UHFFFAOYSA-N	-1	3	370.461	2.184	20	30		FEEDHM
Cc1c(C)n(C2CCCCC2)c(NC(=O)CN(C)CC#N)c1-c1nn[n-]n1	ZINC000737204284	598524816	/nfs/dbraw/zinc/52/48/16/598524816.db2.gz	YWDXZYULFUVEPO-UHFFFAOYSA-N	-1	3	370.461	2.184	20	30		FEEDHM
CCOc1ccc(N(CCC#N)C(=O)c2ccc(-c3nnn[n-]3)cn2)cc1	ZINC000736645192	598535952	/nfs/dbraw/zinc/53/59/52/598535952.db2.gz	XMCLBUNHCLQBCP-UHFFFAOYSA-N	-1	3	363.381	2.221	20	30		FEEDHM
CCOc1ccc(N(CCC#N)C(=O)c2ccc(-c3nn[n-]n3)cn2)cc1	ZINC000736645192	598535953	/nfs/dbraw/zinc/53/59/53/598535953.db2.gz	XMCLBUNHCLQBCP-UHFFFAOYSA-N	-1	3	363.381	2.221	20	30		FEEDHM
C[C@@H](CC#N)NC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1	ZINC000735963841	598549265	/nfs/dbraw/zinc/54/92/65/598549265.db2.gz	OVGVOOZERGTDRT-NSHDSACASA-N	-1	3	352.354	2.071	20	30		FEEDHM
N#Cc1cccc(NC(=O)Cn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)c1	ZINC000737730120	598567973	/nfs/dbraw/zinc/56/79/73/598567973.db2.gz	GIEFAHKSLNOBQL-UHFFFAOYSA-N	-1	3	370.376	2.241	20	30		FEEDHM
N#Cc1cccc(NC(=O)Cn2ccc(-c3ccc(-c4nn[n-]n4)cc3)n2)c1	ZINC000737730120	598567975	/nfs/dbraw/zinc/56/79/75/598567975.db2.gz	GIEFAHKSLNOBQL-UHFFFAOYSA-N	-1	3	370.376	2.241	20	30		FEEDHM
N#Cc1ccccc1C=CC(=O)OCC(=O)c1cccc(-c2nnn[n-]2)c1	ZINC000826387201	607362284	/nfs/dbraw/zinc/36/22/84/607362284.db2.gz	KLICDKLYFDWQAI-CMDGGOBGSA-N	-1	3	359.345	2.178	20	30		FEEDHM
N#Cc1ccccc1C=CC(=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1	ZINC000826387201	607362286	/nfs/dbraw/zinc/36/22/86/607362286.db2.gz	KLICDKLYFDWQAI-CMDGGOBGSA-N	-1	3	359.345	2.178	20	30		FEEDHM
CN(C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)C1(C#N)CCC1	ZINC000736733841	598685399	/nfs/dbraw/zinc/68/53/99/598685399.db2.gz	XTYMTTSMLRYKRR-UHFFFAOYSA-N	-1	3	354.414	2.320	20	30		FEEDHM
CN(C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)C1(C#N)CCC1	ZINC000736733841	598685400	/nfs/dbraw/zinc/68/54/00/598685400.db2.gz	XTYMTTSMLRYKRR-UHFFFAOYSA-N	-1	3	354.414	2.320	20	30		FEEDHM
C#CCCS(=O)(=O)[N-][C@H](Cc1cccc2ccccc21)C(=O)OCC	ZINC000808307446	674451465	/nfs/dbraw/zinc/45/14/65/674451465.db2.gz	QOJXQFDRBLVEDT-GOSISDBHSA-N	-1	3	359.447	2.257	20	30		FEEDHM
C=CCCO[C@H](C)C(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1	ZINC000735416553	598745247	/nfs/dbraw/zinc/74/52/47/598745247.db2.gz	NAHLLMWQCBEZLS-CQSZACIVSA-N	-1	3	371.441	2.218	20	30		FEEDHM
N#Cc1ccc(OC2CCN(C(=O)c3ccc(-c4nnn[n-]4)cc3)CC2)cc1	ZINC000737722381	598747449	/nfs/dbraw/zinc/74/74/49/598747449.db2.gz	UGMZHEMNVJVITA-UHFFFAOYSA-N	-1	3	374.404	2.422	20	30		FEEDHM
N#Cc1ccc(OC2CCN(C(=O)c3ccc(-c4nn[n-]n4)cc3)CC2)cc1	ZINC000737722381	598747451	/nfs/dbraw/zinc/74/74/51/598747451.db2.gz	UGMZHEMNVJVITA-UHFFFAOYSA-N	-1	3	374.404	2.422	20	30		FEEDHM
c1cc(-c2nnn[n-]2)oc1CN=Nc1nc(-c2ccccn2)nc2c1CCC2	ZINC000819718200	599339547	/nfs/dbraw/zinc/33/95/47/599339547.db2.gz	AGFKEWOZCJDJOX-UHFFFAOYSA-N	-1	3	373.380	2.246	20	30		FEEDHM
N#Cc1ccc(Cl)cc1N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1	ZINC000737717662	599414458	/nfs/dbraw/zinc/41/44/58/599414458.db2.gz	IAEPGEXDEWUYMT-UHFFFAOYSA-N	-1	3	366.816	2.113	20	30		FEEDHM
N#Cc1ccc(Cl)cc1N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1	ZINC000737717662	599414463	/nfs/dbraw/zinc/41/44/63/599414463.db2.gz	IAEPGEXDEWUYMT-UHFFFAOYSA-N	-1	3	366.816	2.113	20	30		FEEDHM
N#Cc1cccc(C(=O)COC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c1	ZINC000826386833	607380106	/nfs/dbraw/zinc/38/01/06/607380106.db2.gz	URCDMFCLAFZJCF-UHFFFAOYSA-N	-1	3	369.287	2.056	20	30		FEEDHM
N#Cc1cccc(C(=O)COC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1	ZINC000826386833	607380108	/nfs/dbraw/zinc/38/01/08/607380108.db2.gz	URCDMFCLAFZJCF-UHFFFAOYSA-N	-1	3	369.287	2.056	20	30		FEEDHM
C[C@@H](NC(=O)NCc1cc(C#N)ccc1F)c1cccc(-c2nnn[n-]2)c1	ZINC000820368152	599460778	/nfs/dbraw/zinc/46/07/78/599460778.db2.gz	WYGBFNKVMZCMBF-LLVKDONJSA-N	-1	3	365.372	2.438	20	30		FEEDHM
C[C@@H](NC(=O)NCc1cc(C#N)ccc1F)c1cccc(-c2nn[n-]n2)c1	ZINC000820368152	599460780	/nfs/dbraw/zinc/46/07/80/599460780.db2.gz	WYGBFNKVMZCMBF-LLVKDONJSA-N	-1	3	365.372	2.438	20	30		FEEDHM
C#CCOc1ccc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2F)cc1	ZINC000819710113	599664446	/nfs/dbraw/zinc/66/44/46/599664446.db2.gz	WLMJYIDQALEWGK-UHFFFAOYSA-N	-1	3	352.325	2.375	20	30		FEEDHM
C#CCOc1ccc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2F)cc1	ZINC000819710113	599664447	/nfs/dbraw/zinc/66/44/47/599664447.db2.gz	WLMJYIDQALEWGK-UHFFFAOYSA-N	-1	3	352.325	2.375	20	30		FEEDHM
C=C(C)CN1CCC(NC(=O)NCc2ccc(OC)c(C(=O)[O-])c2)CC1	ZINC000736095447	599983041	/nfs/dbraw/zinc/98/30/41/599983041.db2.gz	XNIRUAQSYMEEMC-UHFFFAOYSA-N	-1	3	361.442	2.233	20	30		FEEDHM
C=C(C)COCCNC(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1	ZINC000819722928	607425148	/nfs/dbraw/zinc/42/51/48/607425148.db2.gz	RHRRDIZDNCYFFD-UHFFFAOYSA-N	-1	3	360.418	2.368	20	30		FEEDHM
C=C(C)COCCNC(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1	ZINC000819722928	607425151	/nfs/dbraw/zinc/42/51/51/607425151.db2.gz	RHRRDIZDNCYFFD-UHFFFAOYSA-N	-1	3	360.418	2.368	20	30		FEEDHM
O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)Nc1cccc(F)c1Cl	ZINC000809194039	674487755	/nfs/dbraw/zinc/48/77/55/674487755.db2.gz	JVFJSUORJKPNIC-UHFFFAOYSA-N	-1	3	367.789	2.156	20	30		FEEDHM
Fc1cc(-c2nnn[n-]2)ccc1C=NN1C(=S)N=NC1c1ccco1	ZINC000822740526	607463874	/nfs/dbraw/zinc/46/38/74/607463874.db2.gz	LLDWHIVXIPSDCP-UHFFFAOYSA-N	-1	3	356.346	2.028	20	30		FEEDHM
Fc1cc(-c2nn[n-]n2)ccc1C=NN1C(=S)N=NC1c1ccco1	ZINC000822740526	607463875	/nfs/dbraw/zinc/46/38/75/607463875.db2.gz	LLDWHIVXIPSDCP-UHFFFAOYSA-N	-1	3	356.346	2.028	20	30		FEEDHM
COc1ccc(CNc2ccc([N+](=O)[O-])cc2C#N)cc1-c1nnn[n-]1	ZINC000826203994	607559992	/nfs/dbraw/zinc/55/99/92/607559992.db2.gz	QXUIAORWTDVYMW-UHFFFAOYSA-N	-1	3	351.326	2.267	20	30		FEEDHM
COc1ccc(CNc2ccc([N+](=O)[O-])cc2C#N)cc1-c1nn[n-]n1	ZINC000826203994	607559993	/nfs/dbraw/zinc/55/99/93/607559993.db2.gz	QXUIAORWTDVYMW-UHFFFAOYSA-N	-1	3	351.326	2.267	20	30		FEEDHM
Cc1cccc(S(=O)(=O)Oc2ccc(CC#N)cc2)c1-c1nnn[n-]1	ZINC000826304245	607577469	/nfs/dbraw/zinc/57/74/69/607577469.db2.gz	DIBIPWIZOLMSBA-UHFFFAOYSA-N	-1	3	355.379	2.009	20	30		FEEDHM
COc1ccc(COC(=O)CCc2ccc(C#N)cc2)cc1-c1nnn[n-]1	ZINC000826205032	607598633	/nfs/dbraw/zinc/59/86/33/607598633.db2.gz	HYEGFPMFSMNXAG-UHFFFAOYSA-N	-1	3	363.377	2.423	20	30		FEEDHM
COc1ccc(COC(=O)CCc2ccc(C#N)cc2)cc1-c1nn[n-]n1	ZINC000826205032	607598635	/nfs/dbraw/zinc/59/86/35/607598635.db2.gz	HYEGFPMFSMNXAG-UHFFFAOYSA-N	-1	3	363.377	2.423	20	30		FEEDHM
Cc1csc(=NC[C@@H]2CCCO2)n1N=Cc1cccc(-c2nnn[n-]2)c1	ZINC000826320243	607634099	/nfs/dbraw/zinc/63/40/99/607634099.db2.gz	KKISRSXVEOQXAD-HNNXBMFYSA-N	-1	3	369.454	2.000	20	30		FEEDHM
Cc1csc(=NC[C@@H]2CCCO2)n1N=Cc1cccc(-c2nn[n-]n2)c1	ZINC000826320243	607634100	/nfs/dbraw/zinc/63/41/00/607634100.db2.gz	KKISRSXVEOQXAD-HNNXBMFYSA-N	-1	3	369.454	2.000	20	30		FEEDHM
C=C(C)CN1CCC(NC(=O)N[C@H]2CCCC[C@H]2CNC(=O)[O-])CC1	ZINC000823480657	603769198	/nfs/dbraw/zinc/76/91/98/603769198.db2.gz	KCBBHGUCIINSKF-HOCLYGCPSA-N	-1	3	352.479	2.153	20	30		FEEDHM
C=C(C)CN1CCC(NC(=O)N2CCC[C@@H]([C@H](C)NC(=O)[O-])C2)CC1	ZINC000823481033	604141696	/nfs/dbraw/zinc/14/16/96/604141696.db2.gz	VWJMGOAPYVCODL-LSDHHAIUSA-N	-1	3	352.479	2.105	20	30		FEEDHM
N#CC(C(=O)C[C@H](Cc1ccccc1)NC(=O)[O-])C(=O)NC1CCCCC1	ZINC000831066137	604223073	/nfs/dbraw/zinc/22/30/73/604223073.db2.gz	VDPPSXKSQOGFNZ-IRXDYDNUSA-N	-1	3	371.437	2.413	20	30		FEEDHM
C#CCN1CCC(C(=O)Nc2cc(C(=O)[O-])ccc2-n2cc(C)cn2)CC1	ZINC000833364405	604486131	/nfs/dbraw/zinc/48/61/31/604486131.db2.gz	LQVSRHPDWUDEBR-UHFFFAOYSA-N	-1	3	366.421	2.163	20	30		FEEDHM
C[C@H](C(=O)[O-])N1CCN([C@H](C#N)c2ccc(Br)cc2)CC1	ZINC000819895333	604617185	/nfs/dbraw/zinc/61/71/85/604617185.db2.gz	FVEMRQWEDHNOBP-BXUZGUMPSA-N	-1	3	352.232	2.104	20	30		FEEDHM
Cn1c2ccccc2nc1C(C#N)C(=O)C[C@H]1CSCCN1C(=O)[O-]	ZINC000830968782	605344723	/nfs/dbraw/zinc/34/47/23/605344723.db2.gz	JNZODAKONHFXCL-NWDGAFQWSA-N	-1	3	358.423	2.235	20	30		FEEDHM
N#Cc1cccc(CN2CCC[C@H](CNC(=O)[C@H]3CCCN3C(=O)[O-])C2)c1	ZINC000833978881	605517858	/nfs/dbraw/zinc/51/78/58/605517858.db2.gz	ZVQCRARSAWWUDD-QZTJIDSGSA-N	-1	3	370.453	2.029	20	30		FEEDHM
C#C[C@@H]([N-]S(=O)(=O)c1cnc(NC(C)=O)s1)c1ccc(Cl)cc1	ZINC000810100015	674531602	/nfs/dbraw/zinc/53/16/02/674531602.db2.gz	UFTWZGNUIKMEBO-GFCCVEGCSA-N	-1	3	369.855	2.408	20	30		FEEDHM
Cc1c(C(=O)C=Cc2ccc3c(c2)nnn3C)c(-c2nnn[n-]2)c2n1CCC2	ZINC000822016010	606195552	/nfs/dbraw/zinc/19/55/52/606195552.db2.gz	SHWVNHIJMSRAKX-SOFGYWHQSA-N	-1	3	374.408	2.101	20	30		FEEDHM
Cc1c(C(=O)C=Cc2ccc3c(c2)nnn3C)c(-c2nn[n-]n2)c2n1CCC2	ZINC000822016010	606195553	/nfs/dbraw/zinc/19/55/53/606195553.db2.gz	SHWVNHIJMSRAKX-SOFGYWHQSA-N	-1	3	374.408	2.101	20	30		FEEDHM
Cc1ccc(C#N)cc1N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O	ZINC000822225114	606248662	/nfs/dbraw/zinc/24/86/62/606248662.db2.gz	OVMDUIKVGWPLQB-MRXNPFEDSA-N	-1	3	359.393	2.264	20	30		FEEDHM
Cc1ccc(C#N)cc1N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O	ZINC000822225114	606248664	/nfs/dbraw/zinc/24/86/64/606248664.db2.gz	OVMDUIKVGWPLQB-MRXNPFEDSA-N	-1	3	359.393	2.264	20	30		FEEDHM
N#Cc1ccc(OS(=O)(=O)c2ccccc2-c2nnn[n-]2)c(Cl)c1	ZINC000822833818	606378523	/nfs/dbraw/zinc/37/85/23/606378523.db2.gz	WGFBRLWOPIBQRJ-UHFFFAOYSA-N	-1	3	361.770	2.159	20	30		FEEDHM
C#CCOc1cccc(NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c1	ZINC000819709280	606677857	/nfs/dbraw/zinc/67/78/57/606677857.db2.gz	APQOBIGXCCBDOA-UHFFFAOYSA-N	-1	3	355.304	2.409	20	30		FEEDHM
C#CCOc1cccc(NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1	ZINC000819709280	606677858	/nfs/dbraw/zinc/67/78/58/606677858.db2.gz	APQOBIGXCCBDOA-UHFFFAOYSA-N	-1	3	355.304	2.409	20	30		FEEDHM
N#Cc1ccc(Cl)cc1OS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1	ZINC000822826254	606793838	/nfs/dbraw/zinc/79/38/38/606793838.db2.gz	VMXDJGYKGQLCJW-UHFFFAOYSA-N	-1	3	361.770	2.159	20	30		FEEDHM
N#Cc1ccc(Cl)cc1OS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1	ZINC000822826254	606793839	/nfs/dbraw/zinc/79/38/39/606793839.db2.gz	VMXDJGYKGQLCJW-UHFFFAOYSA-N	-1	3	361.770	2.159	20	30		FEEDHM
C=C(C)COCCNC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F	ZINC000819722215	606805275	/nfs/dbraw/zinc/80/52/75/606805275.db2.gz	CQOSLLCZYJQZMO-UHFFFAOYSA-N	-1	3	368.344	2.182	20	30		FEEDHM
C=C(C)COCCNC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F	ZINC000819722215	606805276	/nfs/dbraw/zinc/80/52/76/606805276.db2.gz	CQOSLLCZYJQZMO-UHFFFAOYSA-N	-1	3	368.344	2.182	20	30		FEEDHM
C=C(C)COCCNC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1	ZINC000819722306	606812254	/nfs/dbraw/zinc/81/22/54/606812254.db2.gz	GJVYZXRBPZCDBB-UHFFFAOYSA-N	-1	3	356.430	2.133	20	30		FEEDHM
C=C(C)COCCNC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1	ZINC000819722306	606812255	/nfs/dbraw/zinc/81/22/55/606812255.db2.gz	GJVYZXRBPZCDBB-UHFFFAOYSA-N	-1	3	356.430	2.133	20	30		FEEDHM
Cc1nc(-c2nnn[n-]2)c(N=NC2C[C@@H](C)N(Cc3ccccc3)C2)o1	ZINC000822424155	606861759	/nfs/dbraw/zinc/86/17/59/606861759.db2.gz	SETYEISRHWYPNA-LLVKDONJSA-N	-1	3	352.402	2.225	20	30		FEEDHM
C=CCC(CC=C)C(=O)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1	ZINC000819734079	606943815	/nfs/dbraw/zinc/94/38/15/606943815.db2.gz	HSKIMEZVDGKEAS-UHFFFAOYSA-N	-1	3	370.432	2.423	20	30		FEEDHM
N#Cc1cccc(CNC(=O)CSc2cccc(-c3nnn[n-]3)c2)c1	ZINC000822836947	607012250	/nfs/dbraw/zinc/01/22/50/607012250.db2.gz	BKCALGDYBHGMFP-UHFFFAOYSA-N	-1	3	350.407	2.147	20	30		FEEDHM
N#Cc1cccc(CNC(=O)CSc2cccc(-c3nn[n-]n3)c2)c1	ZINC000822836947	607012252	/nfs/dbraw/zinc/01/22/52/607012252.db2.gz	BKCALGDYBHGMFP-UHFFFAOYSA-N	-1	3	350.407	2.147	20	30		FEEDHM
N#Cc1ccc(F)cc1COC(=O)CNc1ccc(-c2nn[n-]n2)cc1	ZINC000822830080	607081003	/nfs/dbraw/zinc/08/10/03/607081003.db2.gz	UBISOGVWORIUGE-UHFFFAOYSA-N	-1	3	352.329	2.033	20	30		FEEDHM
CCCCC1N=NC(=S)N1N=Cc1c[nH]c2ccc(-c3nnn[n-]3)cc12	ZINC000821083031	607145386	/nfs/dbraw/zinc/14/53/86/607145386.db2.gz	RTNSPLJEGMHSQC-UHFFFAOYSA-N	-1	3	367.442	2.453	20	30		FEEDHM
CCCCC1N=NC(=S)N1N=Cc1c[nH]c2ccc(-c3nn[n-]n3)cc12	ZINC000821083031	607145388	/nfs/dbraw/zinc/14/53/88/607145388.db2.gz	RTNSPLJEGMHSQC-UHFFFAOYSA-N	-1	3	367.442	2.453	20	30		FEEDHM
Cc1ccc(F)c(OCC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c1	ZINC000822240989	607238182	/nfs/dbraw/zinc/23/81/82/607238182.db2.gz	HUKDSHMYCXDADN-UHFFFAOYSA-N	-1	3	352.329	2.203	20	30		FEEDHM
Cc1ccc(F)c(OCC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c1	ZINC000822240989	607238183	/nfs/dbraw/zinc/23/81/83/607238183.db2.gz	HUKDSHMYCXDADN-UHFFFAOYSA-N	-1	3	352.329	2.203	20	30		FEEDHM
C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Oc1ccc(C#N)cc1F	ZINC000820535718	607249442	/nfs/dbraw/zinc/24/94/42/607249442.db2.gz	QHPGUWDWYJDFBW-SNVBAGLBSA-N	-1	3	353.313	2.250	20	30		FEEDHM
C=CCOc1ccc(OC[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)cc1	ZINC000823932098	607876856	/nfs/dbraw/zinc/87/68/56/607876856.db2.gz	OLWONOMGWNICPO-HNNXBMFYSA-N	-1	3	368.393	2.250	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H](C)C1CCOCC1	ZINC000823909475	607888278	/nfs/dbraw/zinc/88/82/78/607888278.db2.gz	FPJPTIPTCYDOAS-CQSZACIVSA-N	-1	3	355.442	2.444	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H](C)C1CCOCC1	ZINC000823909475	607888279	/nfs/dbraw/zinc/88/82/79/607888279.db2.gz	FPJPTIPTCYDOAS-CQSZACIVSA-N	-1	3	355.442	2.444	20	30		FEEDHM
CN(C)c1ccc(NC(=S)NN=Cc2ccccc2-c2nnn[n-]2)cc1	ZINC000825880208	607888594	/nfs/dbraw/zinc/88/85/94/607888594.db2.gz	YJTSOGNKGFLULT-UHFFFAOYSA-N	-1	3	366.454	2.253	20	30		FEEDHM
CN(C)c1ccc(NC(=S)NN=Cc2ccccc2-c2nn[n-]n2)cc1	ZINC000825880208	607888595	/nfs/dbraw/zinc/88/85/95/607888595.db2.gz	YJTSOGNKGFLULT-UHFFFAOYSA-N	-1	3	366.454	2.253	20	30		FEEDHM
C=C(C)[C@H](CC(=O)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1)OCC	ZINC000823873592	607894494	/nfs/dbraw/zinc/89/44/94/607894494.db2.gz	NVGULVZNYUEWMK-HNNXBMFYSA-N	-1	3	367.413	2.362	20	30		FEEDHM
C=CCCOCCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1	ZINC000823899030	607934782	/nfs/dbraw/zinc/93/47/82/607934782.db2.gz	ILGCZUOEYRMKLN-UHFFFAOYSA-N	-1	3	355.358	2.328	20	30		FEEDHM
C=CCCOCCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1	ZINC000823899030	607934783	/nfs/dbraw/zinc/93/47/83/607934783.db2.gz	ILGCZUOEYRMKLN-UHFFFAOYSA-N	-1	3	355.358	2.328	20	30		FEEDHM
C#CC[C@H](NS(=O)(=O)c1cccc(C)c1-c1nnn[n-]1)c1ccccc1	ZINC000823837736	607938659	/nfs/dbraw/zinc/93/86/59/607938659.db2.gz	GMVNSJZGOQZQBA-HNNXBMFYSA-N	-1	3	367.434	2.218	20	30		FEEDHM
C#CC[C@H](NS(=O)(=O)c1cccc(C)c1-c1nn[n-]n1)c1ccccc1	ZINC000823837736	607938660	/nfs/dbraw/zinc/93/86/60/607938660.db2.gz	GMVNSJZGOQZQBA-HNNXBMFYSA-N	-1	3	367.434	2.218	20	30		FEEDHM
N#Cc1ccc2c(c1)N(C(=O)CSc1ccc(-c3nnn[n-]3)cc1)CC2	ZINC000826386233	607953539	/nfs/dbraw/zinc/95/35/39/607953539.db2.gz	VPJVKUMHJAMMNJ-UHFFFAOYSA-N	-1	3	362.418	2.420	20	30		FEEDHM
N#Cc1ccc2c(c1)N(C(=O)CSc1ccc(-c3nn[n-]n3)cc1)CC2	ZINC000826386233	607953540	/nfs/dbraw/zinc/95/35/40/607953540.db2.gz	VPJVKUMHJAMMNJ-UHFFFAOYSA-N	-1	3	362.418	2.420	20	30		FEEDHM
COc1ccc(CON=CC(=O)Nc2ccc(F)cc2)cc1-c1nnn[n-]1	ZINC000826206629	607972226	/nfs/dbraw/zinc/97/22/26/607972226.db2.gz	FFPAECNSGDMNBR-UHFFFAOYSA-N	-1	3	370.344	2.156	20	30		FEEDHM
COc1ccc(CON=CC(=O)Nc2ccc(F)cc2)cc1-c1nn[n-]n1	ZINC000826206629	607972227	/nfs/dbraw/zinc/97/22/27/607972227.db2.gz	FFPAECNSGDMNBR-UHFFFAOYSA-N	-1	3	370.344	2.156	20	30		FEEDHM
N#Cc1cc(F)ccc1CN1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1	ZINC000826384220	608069066	/nfs/dbraw/zinc/06/90/66/608069066.db2.gz	LWRKNIZCKXGIKG-SFHVURJKSA-N	-1	3	364.384	2.451	20	30		FEEDHM
N#Cc1cc(F)ccc1CN1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1	ZINC000826384220	608069067	/nfs/dbraw/zinc/06/90/67/608069067.db2.gz	LWRKNIZCKXGIKG-SFHVURJKSA-N	-1	3	364.384	2.451	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)CN1C[C@@H](C2CC2)CC1=O	ZINC000823914667	608096892	/nfs/dbraw/zinc/09/68/92/608096892.db2.gz	LLGUSBZKBYVLDM-KRWDZBQOSA-N	-1	3	352.442	2.071	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)CN1C[C@@H](C2CC2)CC1=O	ZINC000823914667	608096893	/nfs/dbraw/zinc/09/68/93/608096893.db2.gz	LLGUSBZKBYVLDM-KRWDZBQOSA-N	-1	3	352.442	2.071	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)Cn1cnc(-c2ccccn2)n1	ZINC000823915549	608096929	/nfs/dbraw/zinc/09/69/29/608096929.db2.gz	ZTXFOQNGHYYMFJ-UHFFFAOYSA-N	-1	3	373.424	2.166	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)Cn1cnc(-c2ccccn2)n1	ZINC000823915549	608096930	/nfs/dbraw/zinc/09/69/30/608096930.db2.gz	ZTXFOQNGHYYMFJ-UHFFFAOYSA-N	-1	3	373.424	2.166	20	30		FEEDHM
Cc1sc(NC(=O)CN2CCC[C@](C)(C#N)C2)c(-c2nnn[n-]2)c1C	ZINC000826349244	608126163	/nfs/dbraw/zinc/12/61/63/608126163.db2.gz	AOZPZHYHXUKTEY-MRXNPFEDSA-N	-1	3	359.459	2.109	20	30		FEEDHM
Cc1sc(NC(=O)CN2CCC[C@](C)(C#N)C2)c(-c2nn[n-]n2)c1C	ZINC000826349244	608126164	/nfs/dbraw/zinc/12/61/64/608126164.db2.gz	AOZPZHYHXUKTEY-MRXNPFEDSA-N	-1	3	359.459	2.109	20	30		FEEDHM
Cc1ccc(C#N)c(N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)n1	ZINC000826281061	608283879	/nfs/dbraw/zinc/28/38/79/608283879.db2.gz	BMWOGZBRXUECHW-UHFFFAOYSA-N	-1	3	361.409	2.490	20	30		FEEDHM
COc1cc(-c2nnn[n-]2)ccc1CON=C(N)c1ccc(F)c(C)c1	ZINC000826173217	608324081	/nfs/dbraw/zinc/32/40/81/608324081.db2.gz	SOPPCRWTBYLEEC-UHFFFAOYSA-N	-1	3	356.361	2.160	20	30		FEEDHM
COc1cc(-c2nn[n-]n2)ccc1CON=C(N)c1ccc(F)c(C)c1	ZINC000826173217	608324083	/nfs/dbraw/zinc/32/40/83/608324083.db2.gz	SOPPCRWTBYLEEC-UHFFFAOYSA-N	-1	3	356.361	2.160	20	30		FEEDHM
Cc1cc(C#N)ccc1OS(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F	ZINC000826257080	608330083	/nfs/dbraw/zinc/33/00/83/608330083.db2.gz	MUCHOKTWJBICOX-UHFFFAOYSA-N	-1	3	373.369	2.095	20	30		FEEDHM
Cc1cc(C#N)ccc1OS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F	ZINC000826257080	608330085	/nfs/dbraw/zinc/33/00/85/608330085.db2.gz	MUCHOKTWJBICOX-UHFFFAOYSA-N	-1	3	373.369	2.095	20	30		FEEDHM
CC(C)C[C@H](C#N)NC(=O)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(C)C	ZINC000824229624	608497221	/nfs/dbraw/zinc/49/72/21/608497221.db2.gz	SZTSANWDROZGJZ-CJNGLKHVSA-N	-1	3	356.430	2.325	20	30		FEEDHM
CC(C)C[C@H](C#N)NC(=O)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(C)C	ZINC000824229624	608497222	/nfs/dbraw/zinc/49/72/22/608497222.db2.gz	SZTSANWDROZGJZ-CJNGLKHVSA-N	-1	3	356.430	2.325	20	30		FEEDHM
N#Cc1cccc(OC2CCN(Cc3ccc(-c4nnn[n-]4)o3)CC2)c1	ZINC000826387531	608604095	/nfs/dbraw/zinc/60/40/95/608604095.db2.gz	ZXFGDYMLJREDRL-UHFFFAOYSA-N	-1	3	350.382	2.375	20	30		FEEDHM
CC(=NNc1nc2ccccc2c(=O)[nH]1)c1ccc(-c2nnn[n-]2)cc1F	ZINC000823962236	609277242	/nfs/dbraw/zinc/27/72/42/609277242.db2.gz	HXMVJDAKDPPCFK-UHFFFAOYSA-N	-1	3	364.344	2.491	20	30		FEEDHM
CC(=NNc1nc2ccccc2c(=O)[nH]1)c1ccc(-c2nn[n-]n2)cc1F	ZINC000823962236	609277244	/nfs/dbraw/zinc/27/72/44/609277244.db2.gz	HXMVJDAKDPPCFK-UHFFFAOYSA-N	-1	3	364.344	2.491	20	30		FEEDHM
Cn1cc(C=NOCC(F)(F)F)c(-c2ccc(-c3nnn[n-]3)cc2)n1	ZINC000826360573	609306548	/nfs/dbraw/zinc/30/65/48/609306548.db2.gz	PQPXPDOTLXIEIX-UHFFFAOYSA-N	-1	3	351.292	2.180	20	30		FEEDHM
Cn1cc(C=NOCC(F)(F)F)c(-c2ccc(-c3nn[n-]n3)cc2)n1	ZINC000826360573	609306550	/nfs/dbraw/zinc/30/65/50/609306550.db2.gz	PQPXPDOTLXIEIX-UHFFFAOYSA-N	-1	3	351.292	2.180	20	30		FEEDHM
Cc1c(C(=O)C=Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)cnn1C	ZINC000826234452	609406661	/nfs/dbraw/zinc/40/66/61/609406661.db2.gz	XIEJLFRORSOTGI-HJWRWDBZSA-N	-1	3	374.408	2.205	20	30		FEEDHM
Cc1c(C(=O)C=Cc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)cnn1C	ZINC000826234452	609406662	/nfs/dbraw/zinc/40/66/62/609406662.db2.gz	XIEJLFRORSOTGI-HJWRWDBZSA-N	-1	3	374.408	2.205	20	30		FEEDHM
C[C@@H](C#N)Oc1ccccc1NC(=O)COc1ccc(-c2nn[n-]n2)cc1	ZINC000824035498	609623468	/nfs/dbraw/zinc/62/34/68/609623468.db2.gz	YVNNBODWWLMQQG-LBPRGKRZSA-N	-1	3	364.365	2.175	20	30		FEEDHM
CC(C)C[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OC1CC(C)C1	ZINC000813234692	674731026	/nfs/dbraw/zinc/73/10/26/674731026.db2.gz	MMLKEDWTMSOUPE-SSDMNJCBSA-N	-1	3	364.467	2.482	20	30		FEEDHM
CC(C)c1c(C(=O)N[C@H]2CCN([O-])C2=O)cnn1-c1cccc(Cl)c1	ZINC000816691917	675073264	/nfs/dbraw/zinc/07/32/64/675073264.db2.gz	BZBURXKATWNJGR-AWEZNQCLSA-N	-1	3	362.817	2.369	20	30		FEEDHM
Cc1nn(-c2ccc(C(=O)N[C@H]3CCCN([O-])C3=O)cc2)c(C)c1Cl	ZINC000816755490	675077561	/nfs/dbraw/zinc/07/75/61/675077561.db2.gz	BHNUGRMPPAQFIQ-AWEZNQCLSA-N	-1	3	362.817	2.253	20	30		FEEDHM
CCCOc1ccc(C(=O)N[C@@H]2CCCN([O-])C2=O)cc1OCCC	ZINC000816752353	675077572	/nfs/dbraw/zinc/07/75/72/675077572.db2.gz	AGXJMEXJJRIFLX-CQSZACIVSA-N	-1	3	350.415	2.374	20	30		FEEDHM
O=C(Nc1cccc(C(=O)N[C@@H]2CCCN([O-])C2=O)c1)c1cccs1	ZINC000816758670	675078028	/nfs/dbraw/zinc/07/80/28/675078028.db2.gz	VDMWRSFGEBPADI-CYBMUJFWSA-N	-1	3	359.407	2.110	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(O)cc2)ccc1F	ZINC000057559843	670369888	/nfs/dbraw/zinc/36/98/88/670369888.db2.gz	FJGJTSQGGPPWAQ-UHFFFAOYSA-N	-1	3	350.371	2.248	20	30		FEEDHM
N#CCN1CCC([N-]S(=O)(=O)c2csc(-c3ccccc3)n2)CC1	ZINC000609334312	675918621	/nfs/dbraw/zinc/91/86/21/675918621.db2.gz	LMKMHJGSTXBVBW-UHFFFAOYSA-N	-1	3	362.480	2.076	20	30		FEEDHM
COCc1nc(C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)cs1	ZINC000583781936	672125635	/nfs/dbraw/zinc/12/56/35/672125635.db2.gz	KCVJYVZIIKKLPH-UHFFFAOYSA-N	-1	3	357.844	2.293	20	30		FEEDHM
Cc1sc(C(N)=O)cc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C	ZINC000610725034	675992125	/nfs/dbraw/zinc/99/21/25/675992125.db2.gz	ZAJJLOGXZFOVLE-UHFFFAOYSA-N	-1	3	358.423	2.316	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)Cc2nccs2)ccc1F	ZINC000173852565	672355118	/nfs/dbraw/zinc/35/51/18/672355118.db2.gz	VXHHMOVVEBAVLC-UHFFFAOYSA-N	-1	3	369.443	2.019	20	30		FEEDHM
C=C[C@](C)(O)C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1	ZINC000612383651	676079848	/nfs/dbraw/zinc/07/98/48/676079848.db2.gz	ZZYYSHVISLHYPM-KRWDZBQOSA-N	-1	3	352.818	2.160	20	30		FEEDHM
CC(=O)N1CC[C@@H]([N-]S(=O)(=O)c2ccsc2C#N)c2ccccc21	ZINC000593568057	672946000	/nfs/dbraw/zinc/94/60/00/672946000.db2.gz	UEUBPQYSMMWTCP-CYBMUJFWSA-N	-1	3	361.448	2.396	20	30		FEEDHM
CC(=O)Nc1ncc(S(=O)(=O)[N-]C(C)(C)c2cccc(C#N)c2)s1	ZINC000594808604	673149815	/nfs/dbraw/zinc/14/98/15/673149815.db2.gz	OGNHKSBCCIPIRG-UHFFFAOYSA-N	-1	3	364.452	2.187	20	30		FEEDHM
COC[C@H]([N-]S(=O)(=O)c1ccc(C#N)s1)c1cccc(OC)c1	ZINC000594829785	673154793	/nfs/dbraw/zinc/15/47/93/673154793.db2.gz	OESAQHJLHJXRMS-AWEZNQCLSA-N	-1	3	352.437	2.294	20	30		FEEDHM
COC(=O)c1cc(OC)c(S(=O)(=O)[N-]CC2(C#N)CCCCC2)s1	ZINC000594869355	673172181	/nfs/dbraw/zinc/17/21/81/673172181.db2.gz	HXLIORUJCUBYJD-UHFFFAOYSA-N	-1	3	372.468	2.296	20	30		FEEDHM
Cc1ccsc1[C@@H](CO)NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C	ZINC000538891357	673465462	/nfs/dbraw/zinc/46/54/62/673465462.db2.gz	QOSVATRUJGADMT-OAHLLOKOSA-N	-1	3	359.451	2.428	20	30		FEEDHM
C[C@@H](C(=O)Nc1ccc(Br)cc1)n1ccc(C=N[O-])nc1=O	ZINC000736302848	673519131	/nfs/dbraw/zinc/51/91/31/673519131.db2.gz	SWINSYVJRQCNNG-VIFPVBQESA-N	-1	3	365.187	2.014	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCO[C@@](C)(C(F)F)C1	ZINC000598573732	673585358	/nfs/dbraw/zinc/58/53/58/673585358.db2.gz	RPLYSAVCSNPYRQ-QGZVFWFLSA-N	-1	3	353.369	2.091	20	30		FEEDHM
N#CC(=C([O-])c1ccc(Br)cc1-n1cncn1)c1ccncn1	ZINC000544814989	673733976	/nfs/dbraw/zinc/73/39/76/673733976.db2.gz	RDVRJMAVHPSZTF-GFCCVEGCSA-N	-1	3	369.182	2.310	20	30		FEEDHM
C=CCO[N-]C(=O)CCCS(=O)(=O)c1cccc(Br)c1	ZINC000819559563	675299994	/nfs/dbraw/zinc/29/99/94/675299994.db2.gz	PHSWXJOUPVGXMG-UHFFFAOYSA-N	-1	3	362.245	2.237	20	30		FEEDHM
CCOC(=O)[C@@H]([N-]S(=O)(=O)Cc1ccc(CC#N)cc1)[C@H](C)CC	ZINC000567781515	675322121	/nfs/dbraw/zinc/32/21/21/675322121.db2.gz	HNVUXLIUXUFPSD-CJNGLKHVSA-N	-1	3	352.456	2.150	20	30		FEEDHM
O=C(N[C@H]1CCN([O-])C1=O)C1(c2cc(Cl)cc(Br)c2)CC1	ZINC000820128090	675338209	/nfs/dbraw/zinc/33/82/09/675338209.db2.gz	TXIMPAYXWDKRMB-NSHDSACASA-N	-1	3	373.634	2.240	20	30		FEEDHM
CC(C)(C(=O)N[C@@H]1CCN([O-])C1=O)c1csc(-c2ccccc2F)n1	ZINC000820136922	675338798	/nfs/dbraw/zinc/33/87/98/675338798.db2.gz	GXZXTCSYKXGAOB-GFCCVEGCSA-N	-1	3	363.414	2.333	20	30		FEEDHM
Cc1ccc(OCCC(=O)N[C@@H]2CCCN([O-])C2=O)c(Br)c1	ZINC000820481896	675365187	/nfs/dbraw/zinc/36/51/87/675365187.db2.gz	ARUXPLXSXPKAIA-GFCCVEGCSA-N	-1	3	371.231	2.023	20	30		FEEDHM
C=C[C@@H](C)NC(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1	ZINC000823882984	675575630	/nfs/dbraw/zinc/57/56/30/675575630.db2.gz	HMRMZZHUARECCQ-SECBINFHSA-N	-1	3	358.793	2.402	20	30		FEEDHM
C=C[C@@H](C)NC(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1	ZINC000823882984	675575632	/nfs/dbraw/zinc/57/56/32/675575632.db2.gz	HMRMZZHUARECCQ-SECBINFHSA-N	-1	3	358.793	2.402	20	30		FEEDHM
C=CCCC[C@@H](C)NC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl	ZINC000823894472	675576143	/nfs/dbraw/zinc/57/61/43/675576143.db2.gz	QYCVWVKEQSQYIF-SNVBAGLBSA-N	-1	3	362.821	2.320	20	30		FEEDHM
C=CCCC[C@@H](C)NC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl	ZINC000823894472	675576144	/nfs/dbraw/zinc/57/61/44/675576144.db2.gz	QYCVWVKEQSQYIF-SNVBAGLBSA-N	-1	3	362.821	2.320	20	30		FEEDHM
C=CCCNC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl	ZINC000617612741	676295194	/nfs/dbraw/zinc/29/51/94/676295194.db2.gz	LTKVTIACFCIQKS-UHFFFAOYSA-N	-1	3	351.255	2.354	20	30		FEEDHM
C=C(C)CC[N-]S(=O)(=O)c1c(C)nn2cc(Br)cnc12	ZINC000632409855	676992520	/nfs/dbraw/zinc/99/25/20/676992520.db2.gz	LZDALSKPONNYHX-UHFFFAOYSA-N	-1	3	359.249	2.045	20	30		FEEDHM
C=CCCn1cc(C[N-]S(=O)(=O)Cc2c(F)cccc2Cl)nn1	ZINC000632635349	677006845	/nfs/dbraw/zinc/00/68/45/677006845.db2.gz	RBMCCDFZXYNLAP-UHFFFAOYSA-N	-1	3	358.826	2.266	20	30		FEEDHM
C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@](COC)(C(=O)[O-])C1	ZINC000635020571	677087604	/nfs/dbraw/zinc/08/76/04/677087604.db2.gz	ORWDLLYBHKKLOW-KSSFIOAISA-N	-1	3	366.483	2.074	20	30		FEEDHM
C=CCN(C(=O)C[C@@H](C)[N-]S(=O)(=O)c1cccnc1Cl)C(C)C	ZINC000760526688	680691709	/nfs/dbraw/zinc/69/17/09/680691709.db2.gz	KERYYXLQCNEHLX-GFCCVEGCSA-N	-1	3	359.879	2.215	20	30		FEEDHM
Cc1nn(CC(F)(F)F)cc1C([O-])=C(C#N)C(=O)Nc1ccccn1	ZINC000763479673	680784076	/nfs/dbraw/zinc/78/40/76/680784076.db2.gz	RPQHNSCEFRULGH-SNVBAGLBSA-N	-1	3	351.288	2.110	20	30		FEEDHM
CN(C)Cc1cccc(C(=O)[N-]S(=O)(=O)CC2(C#N)CCCCC2)c1	ZINC000835302479	680316785	/nfs/dbraw/zinc/31/67/85/680316785.db2.gz	DSHNZECQHUKIBG-UHFFFAOYSA-N	-1	3	363.483	2.282	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C[C@H](C)C#N)C2CC2)ccc1F	ZINC000754174642	680341697	/nfs/dbraw/zinc/34/16/97/680341697.db2.gz	JEKUFXZKUDMTEY-GFCCVEGCSA-N	-1	3	365.430	2.054	20	30		FEEDHM
C=C(Cl)C[N-]S(=O)(=O)c1cc(Br)cc2c1OCC2	ZINC000758473598	680584052	/nfs/dbraw/zinc/58/40/52/680584052.db2.gz	RRBQCZBWUQFEJU-UHFFFAOYSA-N	-1	3	352.637	2.415	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)OCC2(OC)CCC2)ccc1F	ZINC000837415324	680599680	/nfs/dbraw/zinc/59/96/80/680599680.db2.gz	PZFMZYIIOXNJHV-UHFFFAOYSA-N	-1	3	357.403	2.016	20	30		FEEDHM
Cn1ncc2c1nc(N=NCc1ccc(OC(F)(F)F)cc1)[n-]c2=O	ZINC000769818197	680996206	/nfs/dbraw/zinc/99/62/06/680996206.db2.gz	GWVGSEWQCVAEPF-UHFFFAOYSA-N	-1	3	352.276	2.414	20	30		FEEDHM
C#C[C@H](NC(=O)NCc1ccc([O-])c(Br)c1)[C@H]1CCCO1	ZINC000773558450	681148226	/nfs/dbraw/zinc/14/82/26/681148226.db2.gz	MTMUFVVMFZVBCF-GXTWGEPZSA-N	-1	3	353.216	2.135	20	30		FEEDHM
C[C@H](Sc1nncn1C)C(=O)C(C#N)=C([O-])C1(c2ccccc2)CC1	ZINC000845840577	681155867	/nfs/dbraw/zinc/15/58/67/681155867.db2.gz	MRYBKKJMPSPUQL-JSGCOSHPSA-N	-1	3	354.435	2.305	20	30		FEEDHM
CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]CC2(C#N)CCCC2)c1	ZINC000845965528	681166086	/nfs/dbraw/zinc/16/60/86/681166086.db2.gz	IWZSFEXNNSYDGW-UHFFFAOYSA-N	-1	3	354.403	2.365	20	30		FEEDHM
C#CCN(Cc1ccc(F)cc1)C(=O)NCc1nc(C(F)(F)F)n[n-]1	ZINC000776256274	681376503	/nfs/dbraw/zinc/37/65/03/681376503.db2.gz	KMJBACAJQLXMQU-UHFFFAOYSA-N	-1	3	355.295	2.308	20	30		FEEDHM
COCCO[C@@H]1COCC[C@@H]1/N=C\c1cc(Br)ccc1[O-]	ZINC000776720985	681429999	/nfs/dbraw/zinc/42/99/99/681429999.db2.gz	BHBRXWKMLNQRAM-LVFRSWPXSA-N	-1	3	358.232	2.394	20	30		FEEDHM
CC(C)(C)[C@H]([N-]S(C)(=O)=O)C(=O)OCc1ccc(C2(C#N)CC2)cc1	ZINC000777140974	681468736	/nfs/dbraw/zinc/46/87/36/681468736.db2.gz	WMNONIBBJIHQMR-OAHLLOKOSA-N	-1	3	364.467	2.249	20	30		FEEDHM
O=C(N[C@@H]1CCCN([O-])C1=O)[C@@H]1C[C@H]1c1cccc(Br)c1	ZINC000848133008	681478061	/nfs/dbraw/zinc/47/80/61/681478061.db2.gz	XZWPFYCPUUAWRR-YNEHKIRRSA-N	-1	3	353.216	2.049	20	30		FEEDHM
O=C(N[C@H]1CCCN([O-])C1=O)c1cc2ccccc2n1CC(F)(F)F	ZINC000848134151	681478128	/nfs/dbraw/zinc/47/81/28/681478128.db2.gz	OKEQNWZCGWACKN-NSHDSACASA-N	-1	3	355.316	2.314	20	30		FEEDHM
Cc1nc(-c2ccc(C)cc2)c(CC(=O)N[C@H]2CCCN([O-])C2=O)s1	ZINC000848137552	681478656	/nfs/dbraw/zinc/47/86/56/681478656.db2.gz	GROIKFKQJXLSQX-AWEZNQCLSA-N	-1	3	359.451	2.466	20	30		FEEDHM
O=C(N[C@@H]1CCCN([O-])C1=O)c1c[nH]c2cccc(Br)c12	ZINC000848136194	681478697	/nfs/dbraw/zinc/47/86/97/681478697.db2.gz	TZESYVZMVHPTBR-LLVKDONJSA-N	-1	3	352.188	2.040	20	30		FEEDHM
N#CCC1CCN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)CC1	ZINC000782055602	682002917	/nfs/dbraw/zinc/00/29/17/682002917.db2.gz	LUTRVCFWSHJAQB-UHFFFAOYSA-N	-1	3	365.430	2.032	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)NCc2ccc(Cl)o2)ccc1F	ZINC000914466745	685508134	/nfs/dbraw/zinc/50/81/34/685508134.db2.gz	NUXLLDHLPHUBEM-UHFFFAOYSA-N	-1	3	372.805	2.466	20	30		FEEDHM
C=C(C)[C@H](CO)N1CC[C@H](c2ccccc2)[C@H]([N-]C(=O)C(F)(F)F)C1	ZINC000852673573	682317735	/nfs/dbraw/zinc/31/77/35/682317735.db2.gz	KRTICNZUVRQFMT-OAGGEKHMSA-N	-1	3	356.388	2.460	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCCC[C@@H]2C=C)ccc1F	ZINC000785866573	682332975	/nfs/dbraw/zinc/33/29/75/682332975.db2.gz	HUTFXBUQOJUJHD-AWEZNQCLSA-N	-1	3	352.431	2.471	20	30		FEEDHM
C=CCCN(C)C(=O)[C@H](CC(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000787357632	682452842	/nfs/dbraw/zinc/45/28/42/682452842.db2.gz	OBDSNKNFESPIQH-HNNXBMFYSA-N	-1	3	363.483	2.174	20	30		FEEDHM
C#C[C@@H]([N-]C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1)C1CCOCC1	ZINC000853861372	682480588	/nfs/dbraw/zinc/48/05/88/682480588.db2.gz	ZQIASBUKKMZSQI-CQSZACIVSA-N	-1	3	354.309	2.111	20	30		FEEDHM
CCC(C)(C)[C@H](C)NC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000855368909	682662143	/nfs/dbraw/zinc/66/21/43/682662143.db2.gz	WVENWKVQSXAJNJ-STQMWFEESA-N	-1	3	365.499	2.445	20	30		FEEDHM
C#C[C@@H](CCC)NC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1	ZINC000790604736	682687577	/nfs/dbraw/zinc/68/75/77/682687577.db2.gz	XTMDPYIGYYHEGA-LBPRGKRZSA-N	-1	3	353.444	2.380	20	30		FEEDHM
C#CC[C@@H](CCOC)[N-]S(=O)(=O)c1ccc(Br)cc1F	ZINC000859423672	683106741	/nfs/dbraw/zinc/10/67/41/683106741.db2.gz	IHPTVLXAZGCPQQ-NSHDSACASA-N	-1	3	364.236	2.295	20	30		FEEDHM
Cc1cc(COC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)c(C)s1	ZINC000920500839	683347189	/nfs/dbraw/zinc/34/71/89/683347189.db2.gz	LKBXNHXBOIRBDC-UHFFFAOYSA-N	-1	3	364.448	2.147	20	30		FEEDHM
Cc1ccc(N=Cc2ccc(O)c([O-])c2O)cc1S(=O)(=O)N(C)C	ZINC000920942701	683382729	/nfs/dbraw/zinc/38/27/29/683382729.db2.gz	OPIJTWNZXLCFIH-UHFFFAOYSA-N	-1	3	350.396	2.113	20	30		FEEDHM
C=CCC[N-]S(=O)(=O)N=[S@@](C)(=O)c1cccc(Br)c1	ZINC000867505460	684297862	/nfs/dbraw/zinc/29/78/62/684297862.db2.gz	VJLFRRYPPSGFAQ-SFHVURJKSA-N	-1	3	367.290	2.316	20	30		FEEDHM
CC(C)(C)[S@](=O)Cc1cccc(NC(=O)N[C@@H]2CCCN([O-])C2=O)c1	ZINC000878737623	686647075	/nfs/dbraw/zinc/64/70/75/686647075.db2.gz	PPZYZZBALOTBQD-DLUDVSRJSA-N	-1	3	367.471	2.236	20	30		FEEDHM
O=C(Nc1ccc(N2CCCCC2)c(F)c1)N[C@H]1CCCN([O-])C1=O	ZINC000881188095	687116430	/nfs/dbraw/zinc/11/64/30/687116430.db2.gz	WGXHQFMHRCDTIL-AWEZNQCLSA-N	-1	3	350.394	2.318	20	30		FEEDHM
C=C(C)C[C@H](CO)[N-]S(=O)(=O)c1sc(C)cc1Br	ZINC000882848348	687512756	/nfs/dbraw/zinc/51/27/56/687512756.db2.gz	GGZXUMTYLKSGPK-SECBINFHSA-N	-1	3	354.291	2.424	20	30		FEEDHM
O=c1[nH]c(=O)n(C2CC2)cc1CN=Cc1cc(Br)ccc1[O-]	ZINC000887270156	688396894	/nfs/dbraw/zinc/39/68/94/688396894.db2.gz	ISSVMOLJLWYZPL-FMQZQXMHSA-N	-1	3	364.199	2.371	20	30		FEEDHM
CCCCC1(NC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)CC1	ZINC000889530277	688786062	/nfs/dbraw/zinc/78/60/62/688786062.db2.gz	KWBOEZLHPLEWDU-ZDUSSCGKSA-N	-1	3	363.483	2.343	20	30		FEEDHM
C=CC[S@](=O)(=NC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C)c1ccccc1	ZINC000891379298	689056733	/nfs/dbraw/zinc/05/67/33/689056733.db2.gz	CQUILFMNDFJSRC-JBEBIEQOSA-N	-1	3	372.512	2.190	20	30		FEEDHM
Cc1coc(COC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)c1	ZINC000893749267	689397949	/nfs/dbraw/zinc/39/79/49/689397949.db2.gz	RDRGUXCGQRHXQQ-GFCCVEGCSA-N	-1	3	362.407	2.149	20	30		FEEDHM
N#CC[C@H]([N-]S(=O)(=O)c1c(Cl)nc2ccccn21)C(F)(F)F	ZINC000901774515	690692827	/nfs/dbraw/zinc/69/28/27/690692827.db2.gz	SKKGZKOSHTXUQW-ZETCQYMHSA-N	-1	3	352.725	2.111	20	30		FEEDHM
O=C([C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2)N([O-])Cc1cc(Cl)cc(Cl)c1	ZINC000904178352	691010219	/nfs/dbraw/zinc/01/02/19/691010219.db2.gz	GPDZXLZHYODLGC-NFFDBFGFSA-N	-1	3	372.204	2.432	20	30		FEEDHM
C[C@@H](C(=O)N([O-])Cc1ccccc1Cl)N1C(=O)NC2(CCCC2)C1=O	ZINC000904188604	691011160	/nfs/dbraw/zinc/01/11/60/691011160.db2.gz	GSFDPCDDCJXVAQ-NSHDSACASA-N	-1	3	365.817	2.311	20	30		FEEDHM
C=C(Cl)C[C@H](NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C)C(=O)[O-]	ZINC000909071399	691774414	/nfs/dbraw/zinc/77/44/14/691774414.db2.gz	XMLBUSYCQJJTRF-RCBQFDQVSA-N	-1	3	365.861	2.402	20	30		FEEDHM
Cc1cccc(OCCNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1	ZINC000018147497	539647224	/nfs/dbraw/zinc/64/72/24/539647224.db2.gz	KRBWZJBRFULNGY-UHFFFAOYSA-N	-1	3	353.422	2.300	20	30		FEEDHM
Cc1ncc(CO)c(/C=N/c2ccc(NC(=O)[C@H]3CCCO3)cc2)c1[O-]	ZINC000029736780	539863327	/nfs/dbraw/zinc/86/33/27/539863327.db2.gz	BHLPNQLKDXAVQC-LYUVJKPTSA-N	-1	3	355.394	2.456	20	30		FEEDHM
Cc1nc(C)c(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)c(=O)[n-]1	ZINC000031264934	539903459	/nfs/dbraw/zinc/90/34/59/539903459.db2.gz	ZQMJSCJNFITXML-UHFFFAOYSA-N	-1	3	363.339	2.116	20	30		FEEDHM
O=C(Nc1nnc(-c2ccccn2)[n-]1)c1ccc(=O)n(Cc2ccccc2)n1	ZINC000053525777	540540700	/nfs/dbraw/zinc/54/07/00/540540700.db2.gz	VZTKRWGIFHDTSF-UHFFFAOYSA-N	-1	3	373.376	2.108	20	30		FEEDHM
O=C(Nc1nc(-c2ccccn2)n[n-]1)c1ccc(=O)n(Cc2ccccc2)n1	ZINC000053525777	540540704	/nfs/dbraw/zinc/54/07/04/540540704.db2.gz	VZTKRWGIFHDTSF-UHFFFAOYSA-N	-1	3	373.376	2.108	20	30		FEEDHM
O=C(Nc1n[n-]c(-c2ccccn2)n1)c1ccc(=O)n(Cc2ccccc2)n1	ZINC000053525777	540540708	/nfs/dbraw/zinc/54/07/08/540540708.db2.gz	VZTKRWGIFHDTSF-UHFFFAOYSA-N	-1	3	373.376	2.108	20	30		FEEDHM
CCn1c2ccccc2n(CC(=O)Nc2nnc(-c3ccccn3)[n-]2)c1=O	ZINC000053525735	540540967	/nfs/dbraw/zinc/54/09/67/540540967.db2.gz	OCAULJMYFALQGK-UHFFFAOYSA-N	-1	3	363.381	2.291	20	30		FEEDHM
CCn1c2ccccc2n(CC(=O)Nc2nc(-c3ccccn3)n[n-]2)c1=O	ZINC000053525735	540540969	/nfs/dbraw/zinc/54/09/69/540540969.db2.gz	OCAULJMYFALQGK-UHFFFAOYSA-N	-1	3	363.381	2.291	20	30		FEEDHM
CCn1c2ccccc2n(CC(=O)Nc2n[n-]c(-c3ccccn3)n2)c1=O	ZINC000053525735	540540972	/nfs/dbraw/zinc/54/09/72/540540972.db2.gz	OCAULJMYFALQGK-UHFFFAOYSA-N	-1	3	363.381	2.291	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]CCN2CCCCC2)c(C(F)(F)F)c1	ZINC000055592549	540662611	/nfs/dbraw/zinc/66/26/11/540662611.db2.gz	LJXDIIMYEFHFQP-UHFFFAOYSA-N	-1	3	361.389	2.341	20	30		FEEDHM
COc1ccccc1-c1nc(NC(=O)CCn2cc([N+](=O)[O-])cn2)n[n-]1	ZINC000066045416	541278881	/nfs/dbraw/zinc/27/88/81/541278881.db2.gz	YZHGHIMMCNUKON-UHFFFAOYSA-N	-1	3	357.330	2.263	20	30		FEEDHM
C[C@H](CC#N)Sc1ccccc1[N-]C(=O)c1cn(CC(=O)N(C)C)nn1	ZINC000066802153	541374584	/nfs/dbraw/zinc/37/45/84/541374584.db2.gz	BJQRRGGMBOJXNF-GFCCVEGCSA-N	-1	3	372.454	2.013	20	30		FEEDHM
C#CCN1CCC(C(=O)Nc2cccc(-c3nc(CC)cc(=O)[n-]3)c2)CC1	ZINC000067710000	541503559	/nfs/dbraw/zinc/50/35/59/541503559.db2.gz	YVCXKVHNMDCDDT-UHFFFAOYSA-N	-1	3	364.449	2.283	20	30		FEEDHM
Cc1ccc(C#N)cc1NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F	ZINC000069304260	541676711	/nfs/dbraw/zinc/67/67/11/541676711.db2.gz	CZHGLAHGYMVOSB-LBPRGKRZSA-N	-1	3	361.398	2.311	20	30		FEEDHM
N#CCCN(CCC#N)C(=O)CN(Cc1ccccc1[O-])C[C@H]1CCCO1	ZINC000070975973	541755916	/nfs/dbraw/zinc/75/59/16/541755916.db2.gz	ZEBYNLXFEZSEDR-GOSISDBHSA-N	-1	3	370.453	2.029	20	30		FEEDHM
Cc1cc(S(=O)(=O)[N-]CC(=O)c2ccc(C#N)cc2)c(F)cc1F	ZINC000551200515	674130233	/nfs/dbraw/zinc/13/02/33/674130233.db2.gz	OXWKOTWEOJEOCS-UHFFFAOYSA-N	-1	3	350.346	2.306	20	30		FEEDHM
CSc1[n-]c(=O)c(C(=O)NCc2ccc(CN(C)C)cc2)cc1C#N	ZINC000074344964	542072169	/nfs/dbraw/zinc/07/21/69/542072169.db2.gz	JULALTFXCGOACS-UHFFFAOYSA-N	-1	3	356.451	2.372	20	30		FEEDHM
CSc1[n-]c(=O)c(C(=O)NC[C@H](Cc2ccccc2)N(C)C)cc1C#N	ZINC000074344450	542071349	/nfs/dbraw/zinc/07/13/49/542071349.db2.gz	HJZQYNJHDFUYBB-HNNXBMFYSA-N	-1	3	370.478	2.283	20	30		FEEDHM
O=C(Nc1nnc(-c2ccco2)[n-]1)[C@H]1CC(=O)N(Cc2ccccn2)C1	ZINC000075816728	542204848	/nfs/dbraw/zinc/20/48/48/542204848.db2.gz	BPJICJBUCHOURF-NSHDSACASA-N	-1	3	352.354	2.096	20	30		FEEDHM
O=C(Nc1nc(-c2ccco2)n[n-]1)[C@H]1CC(=O)N(Cc2ccccn2)C1	ZINC000075816728	542204852	/nfs/dbraw/zinc/20/48/52/542204852.db2.gz	BPJICJBUCHOURF-NSHDSACASA-N	-1	3	352.354	2.096	20	30		FEEDHM
O=C(Nc1n[n-]c(-c2ccco2)n1)[C@H]1CC(=O)N(Cc2ccccn2)C1	ZINC000075816728	542204856	/nfs/dbraw/zinc/20/48/56/542204856.db2.gz	BPJICJBUCHOURF-NSHDSACASA-N	-1	3	352.354	2.096	20	30		FEEDHM
COc1cccc(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)c1[O-]	ZINC000078227418	542448417	/nfs/dbraw/zinc/44/84/17/542448417.db2.gz	GTGDKGFRGPMCRA-UHFFFAOYSA-N	-1	3	351.406	2.230	20	30		FEEDHM
C[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(F)cc2C#N)C(=O)N1c1ccccc1	ZINC000122609233	543713438	/nfs/dbraw/zinc/71/34/38/543713438.db2.gz	PVZRHOGSHDSVFI-LRDDRELGSA-N	-1	3	373.409	2.170	20	30		FEEDHM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@]1(C#N)CCC[C@H](C)C1	ZINC000130479745	544152690	/nfs/dbraw/zinc/15/26/90/544152690.db2.gz	MSQKZKAYZNPTOW-XHDPSFHLSA-N	-1	3	353.400	2.354	20	30		FEEDHM
C=C(C)CCOC(=O)C1([N-]S(=O)(=O)c2c(C)noc2C)CCCC1	ZINC000803504036	674246913	/nfs/dbraw/zinc/24/69/13/674246913.db2.gz	SIAVNYFPVOXAAC-UHFFFAOYSA-N	-1	3	356.444	2.392	20	30		FEEDHM
N#Cc1cnccc1NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl	ZINC000553601158	674274477	/nfs/dbraw/zinc/27/44/77/674274477.db2.gz	JSRSENKCLZBVIO-UHFFFAOYSA-N	-1	3	371.249	2.072	20	30		FEEDHM
C#C[C@H](NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1ccc(Cl)cc1F	ZINC000804418169	674285601	/nfs/dbraw/zinc/28/56/01/674285601.db2.gz	FDNYQLOKMDHKLN-HNNXBMFYSA-N	-1	3	356.740	2.467	20	30		FEEDHM
Cc1ccccc1C[C@@H](CO)[N-]S(=O)(=O)c1cccc(Cl)c1C#N	ZINC000188280744	328077844	/nfs/dbraw/zinc/07/78/44/328077844.db2.gz	JIPGEAAWTYRMLB-AWEZNQCLSA-N	-1	3	364.854	2.402	20	30		FEEDHM
COCCOc1ccc(F)cc1S(=O)(=O)[N-]Cc1cccc(C#N)c1	ZINC000188943217	328119205	/nfs/dbraw/zinc/11/92/05/328119205.db2.gz	YIKZRNWRSHTPSP-UHFFFAOYSA-N	-1	3	364.398	2.201	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCc1ccc(F)c(F)c1	ZINC000190269942	328197455	/nfs/dbraw/zinc/19/74/55/328197455.db2.gz	FAUMISAOHXUVEA-UHFFFAOYSA-N	-1	3	359.376	2.433	20	30		FEEDHM
Cc1nc(C)c(CCC(=O)Nc2cc(C#N)ccc2OC(F)F)c(=O)[n-]1	ZINC000076194303	324922774	/nfs/dbraw/zinc/92/27/74/324922774.db2.gz	FTIVOPSEYCGMTL-UHFFFAOYSA-N	-1	3	362.336	2.431	20	30		FEEDHM
CNC(=O)c1cc(C)ccc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C	ZINC000078189934	325035452	/nfs/dbraw/zinc/03/54/52/325035452.db2.gz	UCZDJEWZIILYGP-UHFFFAOYSA-N	-1	3	366.421	2.103	20	30		FEEDHM
COC(=O)C1(N(C)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)CCCCC1	ZINC000089360295	325313373	/nfs/dbraw/zinc/31/33/73/325313373.db2.gz	GZXMQEZBHAVZGM-UHFFFAOYSA-N	-1	3	373.453	2.130	20	30		FEEDHM
Cc1cn2c(n1)CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)C2	ZINC000090168837	325355697	/nfs/dbraw/zinc/35/56/97/325355697.db2.gz	SWTUVTUXMBSYRX-ZDUSSCGKSA-N	-1	3	350.831	2.010	20	30		FEEDHM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]CCC[C@@H]1CCCC[C@H]1O	ZINC000127877522	326514134	/nfs/dbraw/zinc/51/41/34/326514134.db2.gz	ZKOYIASDTIFRSS-SWLSCSKDSA-N	-1	3	367.427	2.076	20	30		FEEDHM
Cc1cccc(S(=O)(=O)[N-]Cc2cn(C)nc2C(F)(F)F)c1C#N	ZINC000129447839	326540631	/nfs/dbraw/zinc/54/06/31/326540631.db2.gz	VXFVINYBITZESQ-UHFFFAOYSA-N	-1	3	358.345	2.098	20	30		FEEDHM
N#Cc1cccc(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)c1	ZINC000133884174	326616260	/nfs/dbraw/zinc/61/62/60/326616260.db2.gz	YARUBLPFMZFHJU-UHFFFAOYSA-N	-1	3	355.828	2.190	20	30		FEEDHM
Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)[N-]c1ccc(C#N)cc1F	ZINC000135363530	326640030	/nfs/dbraw/zinc/64/00/30/326640030.db2.gz	GPCLCCOUEOXVHO-UHFFFAOYSA-N	-1	3	368.411	2.210	20	30		FEEDHM
N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2	ZINC000155768572	326804243	/nfs/dbraw/zinc/80/42/43/326804243.db2.gz	RQNCHVNLBWKHBF-VQISRLSMSA-N	-1	3	352.843	2.448	20	30		FEEDHM
N#Cc1cc(F)ccc1S(=O)(=O)[N-]Cc1cccc(N2CCCC2=O)c1	ZINC000156484676	326832960	/nfs/dbraw/zinc/83/29/60/326832960.db2.gz	OZENCKOYXDLEBC-UHFFFAOYSA-N	-1	3	373.409	2.303	20	30		FEEDHM
COc1ccc(OCCC[N-]S(=O)(=O)c2ccc(F)cc2C#N)cc1	ZINC000156747774	326842729	/nfs/dbraw/zinc/84/27/29/326842729.db2.gz	QTJWHKUXLXJFKH-UHFFFAOYSA-N	-1	3	364.398	2.453	20	30		FEEDHM
N#Cc1ccc(CNC(=O)CO[N-]C(=O)CCCc2ccccc2)cc1	ZINC000264763150	329058027	/nfs/dbraw/zinc/05/80/27/329058027.db2.gz	DPGDEJJZVKDLPC-UHFFFAOYSA-N	-1	3	351.406	2.245	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]CCN2CCc3sccc3C2)s1	ZINC000367109897	330217881	/nfs/dbraw/zinc/21/78/81/330217881.db2.gz	VTAZCYBYJIDLNM-UHFFFAOYSA-N	-1	3	353.494	2.018	20	30		FEEDHM
CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CC[C@@H]1C	ZINC000804855576	674303923	/nfs/dbraw/zinc/30/39/23/674303923.db2.gz	RYASJMBOGMGLSH-CFVMTHIKSA-N	-1	3	363.483	2.055	20	30		FEEDHM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]CC1(c2ccccc2)CC1	ZINC000156298808	545615387	/nfs/dbraw/zinc/61/53/87/545615387.db2.gz	LMXPKLIYSMBOQD-UHFFFAOYSA-N	-1	3	357.391	2.477	20	30		FEEDHM
CCCn1c(=O)[n-]c(=O)c2c(C(=O)N[C@@](C)(C#N)CC)cc(C(C)C)nc21	ZINC000162054153	546136609	/nfs/dbraw/zinc/13/66/09/546136609.db2.gz	JMUQZOZSXQHYHH-LJQANCHMSA-N	-1	3	371.441	2.040	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1CCCO[C@H]1C(C)C	ZINC000177964317	546713949	/nfs/dbraw/zinc/71/39/49/546713949.db2.gz	OZDYCUAZGWYPDV-KXBFYZLASA-N	-1	3	359.470	2.363	20	30		FEEDHM
CC(C)(Oc1ccc(C#N)cc1)C(=O)NCc1nnc(C(F)(F)F)[n-]1	ZINC000481887849	561244767	/nfs/dbraw/zinc/24/47/67/561244767.db2.gz	DAMYFHLSVPOWTK-UHFFFAOYSA-N	-1	3	353.304	2.169	20	30		FEEDHM
CC(C)(Oc1ccc(C#N)cc1)C(=O)NCc1n[n-]c(C(F)(F)F)n1	ZINC000481887849	561244768	/nfs/dbraw/zinc/24/47/68/561244768.db2.gz	DAMYFHLSVPOWTK-UHFFFAOYSA-N	-1	3	353.304	2.169	20	30		FEEDHM
CC(C)(Oc1ccc(C#N)cc1)C(=O)NCc1nc(C(F)(F)F)n[n-]1	ZINC000481887849	561244769	/nfs/dbraw/zinc/24/47/69/561244769.db2.gz	DAMYFHLSVPOWTK-UHFFFAOYSA-N	-1	3	353.304	2.169	20	30		FEEDHM
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000179435764	546953970	/nfs/dbraw/zinc/95/39/70/546953970.db2.gz	UFGPOTJTNYNUEY-UHFFFAOYSA-N	-1	3	368.393	2.376	20	30		FEEDHM
CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-]Cc2ccc(C#N)cc2)c1	ZINC000180587831	547136973	/nfs/dbraw/zinc/13/69/73/547136973.db2.gz	KBMCACAKQJZUPT-UHFFFAOYSA-N	-1	3	362.382	2.353	20	30		FEEDHM
Cn1c(=O)[nH]c(=O)c2cc(C([O-])=C(C#N)c3nccc4ccccc43)cnc21	ZINC000483192386	561269955	/nfs/dbraw/zinc/26/99/55/561269955.db2.gz	DCFRNQTUSBZOKW-HNNXBMFYSA-N	-1	3	371.356	2.072	20	30		FEEDHM
C=CCN1CCC([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)CC1	ZINC000183650963	547695443	/nfs/dbraw/zinc/69/54/43/547695443.db2.gz	ULKNMRWHQWESSE-UHFFFAOYSA-N	-1	3	373.862	2.485	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C(=O)N1CCCC[C@@H]1C	ZINC000184305211	547804526	/nfs/dbraw/zinc/80/45/26/547804526.db2.gz	CZKUPGPHBAQRDG-RYUDHWBXSA-N	-1	3	369.874	2.279	20	30		FEEDHM
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc([N+](=O)[O-])cc1[O-]	ZINC000184669735	547862939	/nfs/dbraw/zinc/86/29/39/547862939.db2.gz	MRPQXIKMDOXZLW-UHFFFAOYSA-N	-1	3	368.393	2.376	20	30		FEEDHM
CC(C#N)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccccc2F)cc1	ZINC000192128915	548359780	/nfs/dbraw/zinc/35/97/80/548359780.db2.gz	IQVXIUSHMVSLHK-LLVKDONJSA-N	-1	3	368.411	2.312	20	30		FEEDHM
Cn1c2ccc(S(=O)(=O)[N-]c3ccc(C#N)cc3Cl)cc2oc1=O	ZINC000486492361	561348911	/nfs/dbraw/zinc/34/89/11/561348911.db2.gz	WPPVYWINVQYWDP-UHFFFAOYSA-N	-1	3	363.782	2.457	20	30		FEEDHM
CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCCCCC#N)cc1	ZINC000265632449	550012657	/nfs/dbraw/zinc/01/26/57/550012657.db2.gz	FAVGYIFSRROAQX-UHFFFAOYSA-N	-1	3	373.500	2.201	20	30		FEEDHM
Cc1ccc([C@H](O)C[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)o1	ZINC000269749690	550222501	/nfs/dbraw/zinc/22/25/01/550222501.db2.gz	HBCLXRLXQHRLBH-GFCCVEGCSA-N	-1	3	374.340	2.490	20	30		FEEDHM
Cc1ncc(CO)c(/C=N/[C@H]2CCCN(c3ccccc3F)C2=O)c1[O-]	ZINC000270499036	550277937	/nfs/dbraw/zinc/27/79/37/550277937.db2.gz	MFYOKTHBGIXOPD-CPHRPENTSA-N	-1	3	357.385	2.342	20	30		FEEDHM
CCCOc1ccc(/C=N/[C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)c([O-])c1	ZINC000271814243	550404035	/nfs/dbraw/zinc/40/40/35/550404035.db2.gz	NYLURTGWKSSDIS-QEEVONDNSA-N	-1	3	367.467	2.336	20	30		FEEDHM
CC[C@@H](CC#N)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br	ZINC000273961980	550517501	/nfs/dbraw/zinc/51/75/01/550517501.db2.gz	PCMVLBKWFQNGHB-QMMMGPOBSA-N	-1	3	362.205	2.328	20	30		FEEDHM
CCOC(=O)[C@H]([N-]S(=O)(=O)CCCCC#N)c1ccc(OC)c(F)c1	ZINC000274702354	550549935	/nfs/dbraw/zinc/54/99/35/550549935.db2.gz	WBJXHHXLWOZJNX-OAHLLOKOSA-N	-1	3	372.418	2.052	20	30		FEEDHM
C#CCC1(C(=O)Nc2ccc(C[C@H]3NC(=O)[N-]C3=O)cc2)CCCCC1	ZINC000276527449	550578928	/nfs/dbraw/zinc/57/89/28/550578928.db2.gz	KPPFTYSLLOQUEJ-MRXNPFEDSA-N	-1	3	353.422	2.349	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-][C@@H](C[C@@H]1CCOC1)c1ccccc1	ZINC000276970112	550616649	/nfs/dbraw/zinc/61/66/49/550616649.db2.gz	DOJISWOHPQAUTF-HOCLYGCPSA-N	-1	3	357.435	2.399	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-][C@H](C[C@@H]1CCOC1)c1ccccc1	ZINC000276970110	550616738	/nfs/dbraw/zinc/61/67/38/550616738.db2.gz	DOJISWOHPQAUTF-GOEBONIOSA-N	-1	3	357.435	2.399	20	30		FEEDHM
C=CC[C@@H](CO)[N-]S(=O)(=O)c1cccc(Cl)c1Br	ZINC000277120436	550634311	/nfs/dbraw/zinc/63/43/11/550634311.db2.gz	WTKDDKBDGQRHOP-QMMMGPOBSA-N	-1	3	354.653	2.318	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc([C@H]2CCCO2)nn1C	ZINC000279255448	550870548	/nfs/dbraw/zinc/87/05/48/550870548.db2.gz	HPEHDJATLDVWMI-MRXNPFEDSA-N	-1	3	369.425	2.432	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCCO[C@H]1CCCCO1	ZINC000280816530	551035223	/nfs/dbraw/zinc/03/52/23/551035223.db2.gz	RVIHOOVFJNSXHM-SFHVURJKSA-N	-1	3	361.442	2.258	20	30		FEEDHM
C=CC[C@@H](CO)[N-]S(=O)(=O)c1ccc(Cl)cc1Br	ZINC000282806197	551272550	/nfs/dbraw/zinc/27/25/50/551272550.db2.gz	ZPLOQILKGARAGV-VIFPVBQESA-N	-1	3	354.653	2.318	20	30		FEEDHM
N#Cc1ccc(CN2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)c(Br)c1	ZINC000289349278	552305234	/nfs/dbraw/zinc/30/52/34/552305234.db2.gz	FYKKMHPXILACRK-GFCCVEGCSA-N	-1	3	362.231	2.112	20	30		FEEDHM
COc1ccc(CN2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cc1C#N	ZINC000289403785	552315553	/nfs/dbraw/zinc/31/55/53/552315553.db2.gz	GCFUIVFEBJLPQW-CYBMUJFWSA-N	-1	3	355.360	2.457	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)[C@@H](O)c1ccccc1	ZINC000290265940	552451088	/nfs/dbraw/zinc/45/10/88/552451088.db2.gz	ZMGQRDYLDREOLJ-IFXJQAMLSA-N	-1	3	353.422	2.447	20	30		FEEDHM
C[C@@H](CC#N)N(C)C(=O)C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1	ZINC000290459034	552481993	/nfs/dbraw/zinc/48/19/93/552481993.db2.gz	TZJFFEIYMYTMPZ-VIFPVBQESA-N	-1	3	364.254	2.032	20	30		FEEDHM
CO[C@H](C)c1nc(C[N-]S(=O)(=O)Cc2cc(C#N)ccc2F)cs1	ZINC000501011650	561587695	/nfs/dbraw/zinc/58/76/95/561587695.db2.gz	DPDXZWAIDPJJCD-SNVBAGLBSA-N	-1	3	369.443	2.481	20	30		FEEDHM
O=C(c1ccc2c(c1)OCO2)C(C(=S)[N-]C1CCC1)[n+]1cccc([O-])c1	ZINC000292326924	552716272	/nfs/dbraw/zinc/71/62/72/552716272.db2.gz	MZABIPQQQQGOLC-UHFFFAOYSA-O	-1	3	371.438	2.489	20	30		FEEDHM
C=CCCCS(=O)(=O)[N-][C@H](C(=O)OC)c1ccc(OC)c(Cl)c1	ZINC000292779110	552757782	/nfs/dbraw/zinc/75/77/82/552757782.db2.gz	XZTVYYYAXNQAHD-AWEZNQCLSA-N	-1	3	361.847	2.448	20	30		FEEDHM
C=CCCc1ccccc1NC(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C	ZINC000504276386	561655319	/nfs/dbraw/zinc/65/53/19/561655319.db2.gz	CUFBKWRNTAEQSV-UHFFFAOYSA-N	-1	3	350.378	2.405	20	30		FEEDHM
COC(=O)c1c(C)nc(=O)[n-]c1S[C@@H](C)C(=O)Nc1ccccc1C#N	ZINC000506437197	561698800	/nfs/dbraw/zinc/69/88/00/561698800.db2.gz	AXILIUNDHDNBTQ-JTQLQIEISA-N	-1	3	372.406	2.268	20	30		FEEDHM
C[C@@H]1CN(C(C)(C)CNC(=O)c2csc(=NC3CC3)[n-]2)C[C@@H](C)O1	ZINC000329418297	553943196	/nfs/dbraw/zinc/94/31/96/553943196.db2.gz	DROGNPIWLSQHOI-VXGBXAGGSA-N	-1	3	352.504	2.910	20	30		FEEDHM
Cc1ccc(NC(=O)NC(=O)[C@@H](C)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)c(C)c1	ZINC000329462907	553951073	/nfs/dbraw/zinc/95/10/73/553951073.db2.gz	UDAGYEYTZSYUIU-TZMCWYRMSA-N	-1	3	373.413	2.270	20	30		FEEDHM
O=C(Cn1cc(Br)c(=O)[n-]c1=O)NC1CCC2(CC2)CC1	ZINC000329945829	554036574	/nfs/dbraw/zinc/03/65/74/554036574.db2.gz	JGNQYOCMVHLWNK-UHFFFAOYSA-N	-1	3	356.220	2.391	20	30		FEEDHM
COCC[C@](C)(C#N)[N-]S(=O)(=O)c1ccc(F)cc1Br	ZINC000508069752	561750057	/nfs/dbraw/zinc/75/00/57/561750057.db2.gz	SJYYVDPLYFCBPR-GFCCVEGCSA-N	-1	3	365.224	2.185	20	30		FEEDHM
COc1ccc(Br)c(S(=O)(=O)[N-][C@H]2CCC[C@@H]2C#N)c1	ZINC000331114236	554215545	/nfs/dbraw/zinc/21/55/45/554215545.db2.gz	JXMAXDJUVLNOHU-SKDRFNHKSA-N	-1	3	359.245	2.428	20	30		FEEDHM
C[C@@H]1CCCCN1CCNC(=O)N=c1[n-]nc(CC(F)(F)F)s1	ZINC000331137705	554219681	/nfs/dbraw/zinc/21/96/81/554219681.db2.gz	DEAIZDXIFGGAIU-SECBINFHSA-N	-1	3	351.398	2.843	20	30		FEEDHM
CC1CCN(CCNC(=O)N=c2[n-]nc(CC(F)(F)F)s2)CC1	ZINC000331145148	554221486	/nfs/dbraw/zinc/22/14/86/554221486.db2.gz	GINHAULJDFDHGU-UHFFFAOYSA-N	-1	3	351.398	2.701	20	30		FEEDHM
CN(C)C(=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2C#N)C1	ZINC000331295084	554242892	/nfs/dbraw/zinc/24/28/92/554242892.db2.gz	YHXVEGKVPIZPSO-RYUDHWBXSA-N	-1	3	369.874	2.137	20	30		FEEDHM
N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCOC2(CCOCC2)C1	ZINC000331373142	554253065	/nfs/dbraw/zinc/25/30/65/554253065.db2.gz	CPHCBOHXCISXQX-AWEZNQCLSA-N	-1	3	370.858	2.218	20	30		FEEDHM
C[C@@H]1C[C@@H](NC(=O)N=c2[n-]n(C)cc2C#N)CCN1Cc1ccccc1	ZINC000610572107	554531889	/nfs/dbraw/zinc/53/18/89/554531889.db2.gz	CCTDQOKPANOKDJ-PBHICJAKSA-N	-1	3	352.442	2.466	20	30		FEEDHM
CC1(C)SC[C@@H]1[N-]S(=O)(=O)c1cc(Br)ccc1C#N	ZINC000333090366	554570852	/nfs/dbraw/zinc/57/08/52/554570852.db2.gz	AVUHVTOGKCUTGK-NSHDSACASA-N	-1	3	361.286	2.493	20	30		FEEDHM
COC(=O)CCc1nnc([N-]C(=O)c2cc(C#N)ccc2Cl)s1	ZINC000512759992	561914444	/nfs/dbraw/zinc/91/44/44/561914444.db2.gz	ZSRXFRNITMPUAM-UHFFFAOYSA-N	-1	3	350.787	2.421	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-][C@H](c1ccccc1)c1cccnc1	ZINC000365405909	555566773	/nfs/dbraw/zinc/56/67/73/555566773.db2.gz	PPHDMGGRDKHZKK-GOSISDBHSA-N	-1	3	350.403	2.416	20	30		FEEDHM
CN1CC[C@@H]([N-]S(=O)(=O)c2ccc(C#N)s2)[C@H]1c1ccc(F)cc1	ZINC000366622345	555892962	/nfs/dbraw/zinc/89/29/62/555892962.db2.gz	NGRFDQDNYNTYBS-GDBMZVCRSA-N	-1	3	365.455	2.483	20	30		FEEDHM
C[C@@]1(c2ccc(CNc3ccc([N+](=O)[O-])cc3C#N)cc2)NC(=O)[N-]C1=O	ZINC000514222759	561964508	/nfs/dbraw/zinc/96/45/08/561964508.db2.gz	RBMRXUWWRBEOQB-SFHVURJKSA-N	-1	3	365.349	2.133	20	30		FEEDHM
COc1cc(C(=O)N2CC(Oc3ccc(C#N)cc3)C2)cc(OC)c1[O-]	ZINC000368162923	556234231	/nfs/dbraw/zinc/23/42/31/556234231.db2.gz	RDOYPQHDKNZHGW-UHFFFAOYSA-N	-1	3	354.362	2.184	20	30		FEEDHM
Cc1ncc2c(n1)CC[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)C2	ZINC000371017545	557046850	/nfs/dbraw/zinc/04/68/50/557046850.db2.gz	KESTXPRXTFRYDL-LBPRGKRZSA-N	-1	3	362.842	2.146	20	30		FEEDHM
CCCc1nc(=NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)s[n-]1	ZINC000517628880	562094060	/nfs/dbraw/zinc/09/40/60/562094060.db2.gz	LKLRMEGVJRRXST-UHFFFAOYSA-N	-1	3	372.498	2.380	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C	ZINC000371774035	557289659	/nfs/dbraw/zinc/28/96/59/557289659.db2.gz	WYXQNCRNIWTPLB-BMGDILEWSA-N	-1	3	357.454	2.480	20	30		FEEDHM
N#Cc1ccc(N2CCC[C@@H](NC(=O)Cc3cncc([O-])c3)C2)c(F)c1	ZINC000519179930	562126710	/nfs/dbraw/zinc/12/67/10/562126710.db2.gz	CGYBGBDDZIVMMZ-OAHLLOKOSA-N	-1	3	354.385	2.126	20	30		FEEDHM
CCOC(=O)c1nc(C2CCN(Cc3ccc(F)cc3C#N)CC2)n[n-]1	ZINC000373106078	557629792	/nfs/dbraw/zinc/62/97/92/557629792.db2.gz	FNLJIBGLXNKKBD-UHFFFAOYSA-N	-1	3	357.389	2.372	20	30		FEEDHM
CCOC(=O)c1nnc(C2CCN(Cc3ccc(F)cc3C#N)CC2)[n-]1	ZINC000373106078	557629793	/nfs/dbraw/zinc/62/97/93/557629793.db2.gz	FNLJIBGLXNKKBD-UHFFFAOYSA-N	-1	3	357.389	2.372	20	30		FEEDHM
CCOC(=O)c1n[n-]c(C2CCN(Cc3ccc(F)cc3C#N)CC2)n1	ZINC000373106078	557629795	/nfs/dbraw/zinc/62/97/95/557629795.db2.gz	FNLJIBGLXNKKBD-UHFFFAOYSA-N	-1	3	357.389	2.372	20	30		FEEDHM
CC(C)(C#N)CCS(=O)(=O)[N-][C@@H]1CCN(c2ccccc2Cl)C1=O	ZINC000377826374	558428048	/nfs/dbraw/zinc/42/80/48/558428048.db2.gz	LWBGDQSFQSEVFB-CYBMUJFWSA-N	-1	3	369.874	2.305	20	30		FEEDHM
CC[C@@](C)(C#N)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1	ZINC000523670518	562217339	/nfs/dbraw/zinc/21/73/39/562217339.db2.gz	GFDROALWGNJRFO-INIZCTEOSA-N	-1	3	364.402	2.377	20	30		FEEDHM
C[C@@]1(c2ccc(CNc3ccc(C#N)cc3[N+](=O)[O-])cc2)NC(=O)[N-]C1=O	ZINC000523863088	562220948	/nfs/dbraw/zinc/22/09/48/562220948.db2.gz	MWHCXJBBXOLQCU-SFHVURJKSA-N	-1	3	365.349	2.133	20	30		FEEDHM
CCN(CCC#N)S(=O)(=O)[N-][C@H](c1nccs1)c1ccccc1	ZINC000410116444	558739428	/nfs/dbraw/zinc/73/94/28/558739428.db2.gz	JSHVXINAVPNYMY-AWEZNQCLSA-N	-1	3	350.469	2.302	20	30		FEEDHM
C=C(CC)CNC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1C(F)(F)F	ZINC000412403737	559033382	/nfs/dbraw/zinc/03/33/82/559033382.db2.gz	PBBHLCHUOGGWPL-NSHDSACASA-N	-1	3	364.389	2.455	20	30		FEEDHM
C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCCc3cc(C#N)ccc32)c(C)o1	ZINC000416342071	559306647	/nfs/dbraw/zinc/30/66/47/559306647.db2.gz	OMWZGIZGAVXMEW-INIZCTEOSA-N	-1	3	373.434	2.175	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1C#N)[C@@H]1CCOC1	ZINC000416408373	559310850	/nfs/dbraw/zinc/31/08/50/559310850.db2.gz	PPIYBQINMQVJHL-GXSJLCMTSA-N	-1	3	359.245	2.024	20	30		FEEDHM
N#Cc1ccc(Br)cc1S(=O)(=O)[N-]C[C@H]1CCCS1	ZINC000416423394	559312158	/nfs/dbraw/zinc/31/21/58/559312158.db2.gz	UWZNOCLAYPPEPA-LLVKDONJSA-N	-1	3	361.286	2.495	20	30		FEEDHM
C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2C#N)CCO1	ZINC000416454928	559314189	/nfs/dbraw/zinc/31/41/89/559314189.db2.gz	TZDXQXLSPXMACS-BXKDBHETSA-N	-1	3	359.245	2.167	20	30		FEEDHM
CC(C)[C@](C)(O)C[N-]S(=O)(=O)c1cc(Br)ccc1C#N	ZINC000416462624	559314806	/nfs/dbraw/zinc/31/48/06/559314806.db2.gz	RMSHRLHSQQZUTQ-CYBMUJFWSA-N	-1	3	361.261	2.006	20	30		FEEDHM
C=C(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cccc(Cl)c1C(=O)OC	ZINC000416530623	559320069	/nfs/dbraw/zinc/32/00/69/559320069.db2.gz	SPHDVTLBCDYYIA-ABAIWWIYSA-N	-1	3	373.858	2.386	20	30		FEEDHM
C[C@H](C#N)S(=O)(=O)[N-][C@@H](CO)c1ccc(Cl)cc1C(F)(F)F	ZINC000416533108	559320153	/nfs/dbraw/zinc/32/01/53/559320153.db2.gz	WUXNXGCPUNAHLK-HQJQHLMTSA-N	-1	3	356.753	2.224	20	30		FEEDHM
Cc1ncc(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCCO3)cc1C#N	ZINC000427129748	559748558	/nfs/dbraw/zinc/74/85/58/559748558.db2.gz	AJJRGGPSLAGKLY-UHFFFAOYSA-N	-1	3	365.798	2.487	20	30		FEEDHM
CCc1ccc([C@H](C[N-]S(=O)(=O)c2cccnc2C#N)N(C)C)cc1	ZINC000428241685	559772004	/nfs/dbraw/zinc/77/20/04/559772004.db2.gz	RNXAPMWCVBFAPJ-KRWDZBQOSA-N	-1	3	358.467	2.097	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-]CCc1ccccc1C(F)(F)F	ZINC000428249599	559772188	/nfs/dbraw/zinc/77/21/88/559772188.db2.gz	OQAZPXZDMCHYMX-UHFFFAOYSA-N	-1	3	355.341	2.493	20	30		FEEDHM
CC[C@H](C[N-]S(=O)(=O)c1cccnc1C#N)N1CCc2ccccc2C1	ZINC000428263951	559772517	/nfs/dbraw/zinc/77/25/17/559772517.db2.gz	KXEYYEGOHFHFFM-QGZVFWFLSA-N	-1	3	370.478	2.068	20	30		FEEDHM
COc1ccccc1C1(C[N-]S(=O)(=O)c2cccnc2C#N)CCC1	ZINC000428370540	559774027	/nfs/dbraw/zinc/77/40/27/559774027.db2.gz	RDIMMFZJJBEGCC-UHFFFAOYSA-N	-1	3	357.435	2.362	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-]CCCCc1ccc([N+](=O)[O-])cc1	ZINC000428379361	559774319	/nfs/dbraw/zinc/77/43/19/559774319.db2.gz	WIAWHJTUXRDXNM-UHFFFAOYSA-N	-1	3	360.395	2.163	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1Cc2cccc(O)c2C1	ZINC000430251698	559816246	/nfs/dbraw/zinc/81/62/46/559816246.db2.gz	DOHUXARFQGHWCN-CQSZACIVSA-N	-1	3	351.406	2.198	20	30		FEEDHM
COc1ccncc1C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000431604543	559842440	/nfs/dbraw/zinc/84/24/40/559842440.db2.gz	OIHCEGFVCZXYDD-UHFFFAOYSA-N	-1	3	371.340	2.459	20	30		FEEDHM
N#Cc1cccnc1OC1CCC(NC(=O)c2cccc3nn[n-]c32)CC1	ZINC000527363700	562286616	/nfs/dbraw/zinc/28/66/16/562286616.db2.gz	HQNGFODPHZWQQH-UHFFFAOYSA-N	-1	3	362.393	2.345	20	30		FEEDHM
N#Cc1cccnc1OC1CCC(NC(=O)c2cccc3[n-]nnc32)CC1	ZINC000527363700	562286617	/nfs/dbraw/zinc/28/66/17/562286617.db2.gz	HQNGFODPHZWQQH-UHFFFAOYSA-N	-1	3	362.393	2.345	20	30		FEEDHM
N#Cc1cccnc1OC1CCC(NC(=O)c2cccc3n[n-]nc32)CC1	ZINC000527363700	562286618	/nfs/dbraw/zinc/28/66/18/562286618.db2.gz	HQNGFODPHZWQQH-UHFFFAOYSA-N	-1	3	362.393	2.345	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]CC(=O)Nc2ccc(Cl)cc2)s1	ZINC000435433327	559922841	/nfs/dbraw/zinc/92/28/41/559922841.db2.gz	RIEGZBPPFAJJRT-UHFFFAOYSA-N	-1	3	355.828	2.190	20	30		FEEDHM
C=C(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-]	ZINC000435580057	559925462	/nfs/dbraw/zinc/92/54/62/559925462.db2.gz	OMWGYZJVSNDKTD-XJKSGUPXSA-N	-1	3	354.428	2.471	20	30		FEEDHM
N#Cc1cccc(-c2cc(C(=O)[N-]c3cccc(S(N)(=O)=O)c3)on2)c1	ZINC000436278991	559939205	/nfs/dbraw/zinc/93/92/05/559939205.db2.gz	FXQJCPOJOSQHSY-UHFFFAOYSA-N	-1	3	368.374	2.113	20	30		FEEDHM
COc1ccc(C(=O)N[C@H](C#N)c2cc(OC)c(OC)c(OC)c2)c([O-])c1	ZINC000436612353	559946555	/nfs/dbraw/zinc/94/65/55/559946555.db2.gz	XLMOPDVNRWPSAL-CQSZACIVSA-N	-1	3	372.377	2.421	20	30		FEEDHM
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)c1ccc([O-])cc1	ZINC000436673011	559948455	/nfs/dbraw/zinc/94/84/55/559948455.db2.gz	NGBTUMMSKJMCJK-UHFFFAOYSA-N	-1	3	351.406	2.037	20	30		FEEDHM
COc1ccc(C([O-])=C(C#N)c2nc(N)nc(Nc3ccccc3)n2)c(C)c1	ZINC000442643658	560054196	/nfs/dbraw/zinc/05/41/96/560054196.db2.gz	GVZUIUSXWFWPIR-MRXNPFEDSA-N	-1	3	374.404	2.426	20	30		FEEDHM
CCOC(=O)CCN(C[C@@H]1CCCN1CC)C(=O)c1ccc(C#N)c([O-])c1	ZINC000442937543	560062758	/nfs/dbraw/zinc/06/27/58/560062758.db2.gz	CVXJOGRTFKKZDJ-KRWDZBQOSA-N	-1	3	373.453	2.144	20	30		FEEDHM
COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]CC1CCC(C#N)CC1	ZINC000443229496	560075559	/nfs/dbraw/zinc/07/55/59/560075559.db2.gz	UYZXPWNFSNOPSW-UHFFFAOYSA-N	-1	3	354.403	2.221	20	30		FEEDHM
CCc1nc([C@H](C)[N-]S(=O)(=O)c2ccc(CC#N)cc2Cl)n[nH]1	ZINC000451360440	560302703	/nfs/dbraw/zinc/30/27/03/560302703.db2.gz	YICWYELHAJFYAQ-VIFPVBQESA-N	-1	3	353.835	2.126	20	30		FEEDHM
CC(C)[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CCO1	ZINC000451818016	560330549	/nfs/dbraw/zinc/33/05/49/560330549.db2.gz	NHNHVELBXVCJIQ-WFASDCNBSA-N	-1	3	367.427	2.196	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)CC(C)(C)CC#N)C(=O)N1c2ccccc2C[C@@H]1C	ZINC000451992665	560343386	/nfs/dbraw/zinc/34/33/86/560343386.db2.gz	UIACONBETGFNLD-UONOGXRCSA-N	-1	3	363.483	2.212	20	30		FEEDHM
C=C(CC)CNS(=O)(=O)c1ccc([N-]S(=O)(=O)CCCC)cc1	ZINC000452045095	560347454	/nfs/dbraw/zinc/34/74/54/560347454.db2.gz	SLNFEBFPKGRXLG-UHFFFAOYSA-N	-1	3	360.501	2.473	20	30		FEEDHM
C=CCCN(C)C(=O)c1sccc1S(=O)(=O)[N-]Cc1ccco1	ZINC000466646238	560891922	/nfs/dbraw/zinc/89/19/22/560891922.db2.gz	AKOLAEBDYGHHQU-UHFFFAOYSA-N	-1	3	354.453	2.468	20	30		FEEDHM
CC(C)[C@@H](C#N)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F	ZINC000469051303	560945912	/nfs/dbraw/zinc/94/59/12/560945912.db2.gz	VRPCQIJXJPPRTK-SNVBAGLBSA-N	-1	3	351.306	2.440	20	30		FEEDHM
N#Cc1cccc(N2CCN(C(=O)CCCc3ccc([O-])c(F)c3)CC2)n1	ZINC000469549368	560957773	/nfs/dbraw/zinc/95/77/73/560957773.db2.gz	JXVRULNPSIJQNX-UHFFFAOYSA-N	-1	3	368.412	2.469	20	30		FEEDHM
CC(C)[C@@H](C#N)NC(=O)Cc1csc(NC(=O)c2cccc([O-])c2)n1	ZINC000470578864	560985079	/nfs/dbraw/zinc/98/50/79/560985079.db2.gz	OONKPPZBQRJDIZ-CQSZACIVSA-N	-1	3	358.423	2.308	20	30		FEEDHM
C=CCn1c(=O)[n-]nc1SCC(=O)Nc1ccc2c(c1)OCCCO2	ZINC000470816773	560990338	/nfs/dbraw/zinc/99/03/38/560990338.db2.gz	KXOGQRDBZJHAKG-UHFFFAOYSA-N	-1	3	362.411	2.062	20	30		FEEDHM
CC[C@@H](CC#N)NC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1	ZINC000472518809	561028476	/nfs/dbraw/zinc/02/84/76/561028476.db2.gz	SDLNMQTZGDRSIE-NSHDSACASA-N	-1	3	363.361	2.499	20	30		FEEDHM
N#CCCSc1ccccc1NC(=O)C(=O)NCc1ncccc1[O-]	ZINC000473035329	561040853	/nfs/dbraw/zinc/04/08/53/561040853.db2.gz	MOVCPUOIYNXTSB-UHFFFAOYSA-N	-1	3	356.407	2.048	20	30		FEEDHM
COc1ccccc1OCC[N-]S(=O)(=O)c1ccc(F)cc1C#N	ZINC000532775623	562488282	/nfs/dbraw/zinc/48/82/82/562488282.db2.gz	ITQSUSUXLWDWEQ-UHFFFAOYSA-N	-1	3	350.371	2.063	20	30		FEEDHM
N#Cc1ccc(C2=CCN(C(=O)CNC(=O)c3ccc([O-])cc3)CC2)cc1	ZINC000534336427	562532064	/nfs/dbraw/zinc/53/20/64/562532064.db2.gz	NAPPJTMRLIOOMD-UHFFFAOYSA-N	-1	3	361.401	2.310	20	30		FEEDHM
CC(C)n1cnc(S(=O)(=O)[N-]Cc2nc(-c3cccc(C#N)c3)c[nH]2)c1	ZINC000541818099	562620449	/nfs/dbraw/zinc/62/04/49/562620449.db2.gz	NNGNZJGMKWMESU-UHFFFAOYSA-N	-1	3	370.438	2.204	20	30		FEEDHM
C=CCSCC[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2	ZINC000541903744	562622880	/nfs/dbraw/zinc/62/28/80/562622880.db2.gz	XFBOVUGGKYZSAZ-UHFFFAOYSA-N	-1	3	360.888	2.422	20	30		FEEDHM
COC(=O)Cc1nc(NC(=O)c2sc3ccc(C#N)cc3c2C)n[n-]1	ZINC000556222888	674392637	/nfs/dbraw/zinc/39/26/37/674392637.db2.gz	IKTKNDGBBPWSCR-UHFFFAOYSA-N	-1	3	355.379	2.167	20	30		FEEDHM
C[C@H]1CN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)C[C@H](C)N1CC#N	ZINC000602862401	568049895	/nfs/dbraw/zinc/04/98/95/568049895.db2.gz	NRNUYLPLSJHYQR-STQMWFEESA-N	-1	3	351.410	2.500	20	30		FEEDHM
Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CCOc1ccc(C#N)cc1	ZINC000737522971	598827732	/nfs/dbraw/zinc/82/77/32/598827732.db2.gz	FVBUCYREKWRAFV-UHFFFAOYSA-N	-1	3	372.392	2.384	20	30		FEEDHM
Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CCOc1ccc(C#N)cc1	ZINC000737522971	598827733	/nfs/dbraw/zinc/82/77/33/598827733.db2.gz	FVBUCYREKWRAFV-UHFFFAOYSA-N	-1	3	372.392	2.384	20	30		FEEDHM
C#CC[C@@H](OC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1)c1ccccn1	ZINC000735375700	598857175	/nfs/dbraw/zinc/85/71/75/598857175.db2.gz	PDQPMLUZNNHVMC-CXAGYDPISA-N	-1	3	363.377	2.337	20	30		FEEDHM
COC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)N(C)Cc1cccc(C#N)c1	ZINC000736901764	598859508	/nfs/dbraw/zinc/85/95/08/598859508.db2.gz	OCRYBUHOKXONFW-KRWDZBQOSA-N	-1	3	362.393	2.084	20	30		FEEDHM
COC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N(C)Cc1cccc(C#N)c1	ZINC000736901764	598859509	/nfs/dbraw/zinc/85/95/09/598859509.db2.gz	OCRYBUHOKXONFW-KRWDZBQOSA-N	-1	3	362.393	2.084	20	30		FEEDHM
N#Cc1cc(NC(=O)CSCc2ccccn2)ccc1-c1nnn[n-]1	ZINC000737710298	598915859	/nfs/dbraw/zinc/91/58/59/598915859.db2.gz	WRSQDFPKPFCKAI-UHFFFAOYSA-N	-1	3	351.395	2.005	20	30		FEEDHM
N#Cc1cc(NC(=O)CSCc2ccccn2)ccc1-c1nn[n-]n1	ZINC000737710298	598915860	/nfs/dbraw/zinc/91/58/60/598915860.db2.gz	WRSQDFPKPFCKAI-UHFFFAOYSA-N	-1	3	351.395	2.005	20	30		FEEDHM
CN(C)c1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1F	ZINC000736774197	598916302	/nfs/dbraw/zinc/91/63/02/598916302.db2.gz	SDVRDLJBHMSCGX-UHFFFAOYSA-N	-1	3	351.345	2.196	20	30		FEEDHM
CN(C)c1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1F	ZINC000736774197	598916303	/nfs/dbraw/zinc/91/63/03/598916303.db2.gz	SDVRDLJBHMSCGX-UHFFFAOYSA-N	-1	3	351.345	2.196	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2cccc(N3CCCC3=O)c2)cc1-c1nnn[n-]1	ZINC000737718297	598917678	/nfs/dbraw/zinc/91/76/78/598917678.db2.gz	GYMNDTZLKUJYEH-UHFFFAOYSA-N	-1	3	373.376	2.117	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2cccc(N3CCCC3=O)c2)cc1-c1nn[n-]n1	ZINC000737718297	598917680	/nfs/dbraw/zinc/91/76/80/598917680.db2.gz	GYMNDTZLKUJYEH-UHFFFAOYSA-N	-1	3	373.376	2.117	20	30		FEEDHM
N#Cc1ccc(NC(=O)C=Cc2ccc3c(c2)OCO3)cc1-c1nnn[n-]1	ZINC000737716287	598925948	/nfs/dbraw/zinc/92/59/48/598925948.db2.gz	OPFDNHFAEVRNET-QHHAFSJGSA-N	-1	3	360.333	2.119	20	30		FEEDHM
N#Cc1ccc(NC(=O)C=Cc2ccc3c(c2)OCO3)cc1-c1nn[n-]n1	ZINC000737716287	598925949	/nfs/dbraw/zinc/92/59/49/598925949.db2.gz	OPFDNHFAEVRNET-QHHAFSJGSA-N	-1	3	360.333	2.119	20	30		FEEDHM
COc1cc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc(OC)c1C	ZINC000737044019	598926191	/nfs/dbraw/zinc/92/61/91/598926191.db2.gz	ZIOIPBBKMBBQPL-UHFFFAOYSA-N	-1	3	364.365	2.316	20	30		FEEDHM
COc1cc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc(OC)c1C	ZINC000737044019	598926192	/nfs/dbraw/zinc/92/61/92/598926192.db2.gz	ZIOIPBBKMBBQPL-UHFFFAOYSA-N	-1	3	364.365	2.316	20	30		FEEDHM
CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1ccc(C#N)nc1	ZINC000736625634	598983210	/nfs/dbraw/zinc/98/32/10/598983210.db2.gz	DEKDOFIGPWGMAX-UHFFFAOYSA-N	-1	3	370.756	2.405	20	30		FEEDHM
CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1ccc(C#N)nc1	ZINC000736625634	598983212	/nfs/dbraw/zinc/98/32/12/598983212.db2.gz	DEKDOFIGPWGMAX-UHFFFAOYSA-N	-1	3	370.756	2.405	20	30		FEEDHM
COc1ccc(C=CC(=O)c2ccc(O)c(OC)c2)cc1-c1nnn[n-]1	ZINC000737034936	599152601	/nfs/dbraw/zinc/15/26/01/599152601.db2.gz	MSXNDCUSTYPCEF-UTCJRWHESA-N	-1	3	352.350	2.486	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cc(CC)nn1C	ZINC000735419919	599187548	/nfs/dbraw/zinc/18/75/48/599187548.db2.gz	KCLXUICWEARZGR-UHFFFAOYSA-N	-1	3	366.429	2.383	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cc(CC)nn1C	ZINC000735419919	599187550	/nfs/dbraw/zinc/18/75/50/599187550.db2.gz	KCLXUICWEARZGR-UHFFFAOYSA-N	-1	3	366.429	2.383	20	30		FEEDHM
N#Cc1cc(NC(=O)[C@H]2C[C@]23CCOc2ccccc23)ccc1-c1nnn[n-]1	ZINC000737703979	599192170	/nfs/dbraw/zinc/19/21/70/599192170.db2.gz	GNKSYFMERXAJRY-UZLBHIALSA-N	-1	3	372.388	2.417	20	30		FEEDHM
N#Cc1cc(NC(=O)[C@H]2C[C@]23CCOc2ccccc23)ccc1-c1nn[n-]n1	ZINC000737703979	599192171	/nfs/dbraw/zinc/19/21/71/599192171.db2.gz	GNKSYFMERXAJRY-UZLBHIALSA-N	-1	3	372.388	2.417	20	30		FEEDHM
C[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)N(C)Cc1ccccc1	ZINC000735551715	599192952	/nfs/dbraw/zinc/19/29/52/599192952.db2.gz	RXQYQTGQWRKJCQ-ZDUSSCGKSA-N	-1	3	361.409	2.197	20	30		FEEDHM
N#Cc1cc(NC(=O)c2ccc3c(c2)CCCC(=O)N3)ccc1-c1nnn[n-]1	ZINC000737707586	599200430	/nfs/dbraw/zinc/20/04/30/599200430.db2.gz	AFONUQYAWSSOPZ-UHFFFAOYSA-N	-1	3	373.376	2.265	20	30		FEEDHM
N#Cc1cc(NC(=O)c2ccc3c(c2)CCCC(=O)N3)ccc1-c1nn[n-]n1	ZINC000737707586	599200431	/nfs/dbraw/zinc/20/04/31/599200431.db2.gz	AFONUQYAWSSOPZ-UHFFFAOYSA-N	-1	3	373.376	2.265	20	30		FEEDHM
C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@]1(C#N)CCC[C@@H](C)C1	ZINC000736245752	599201732	/nfs/dbraw/zinc/20/17/32/599201732.db2.gz	WEIJLGOUHSKNLI-FHSNZYRGSA-N	-1	3	354.414	2.223	20	30		FEEDHM
C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@]1(C#N)CCC[C@@H](C)C1	ZINC000736245752	599201734	/nfs/dbraw/zinc/20/17/34/599201734.db2.gz	WEIJLGOUHSKNLI-FHSNZYRGSA-N	-1	3	354.414	2.223	20	30		FEEDHM
C=CCNc1ncc(C(=O)OCCOc2cccc(-c3nnn[n-]3)c2)s1	ZINC000819750628	607263341	/nfs/dbraw/zinc/26/33/41/607263341.db2.gz	HXYDLIBDQOVDIC-UHFFFAOYSA-N	-1	3	372.410	2.157	20	30		FEEDHM
C=CCNc1ncc(C(=O)OCCOc2cccc(-c3nn[n-]n3)c2)s1	ZINC000819750628	607263342	/nfs/dbraw/zinc/26/33/42/607263342.db2.gz	HXYDLIBDQOVDIC-UHFFFAOYSA-N	-1	3	372.410	2.157	20	30		FEEDHM
C#CCSCCNC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1	ZINC000819709591	599288670	/nfs/dbraw/zinc/28/86/70/599288670.db2.gz	LBZUDDSCWUKUCH-UHFFFAOYSA-N	-1	3	370.360	2.373	20	30		FEEDHM
C#CCSCCNC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1	ZINC000819709591	599288671	/nfs/dbraw/zinc/28/86/71/599288671.db2.gz	LBZUDDSCWUKUCH-UHFFFAOYSA-N	-1	3	370.360	2.373	20	30		FEEDHM
N#Cc1ccc(CNC(=O)CCc2ccc(-c3nnn[n-]3)cc2)c(F)c1	ZINC000737710756	598303721	/nfs/dbraw/zinc/30/37/21/598303721.db2.gz	CAHZDFUVXJOFBF-UHFFFAOYSA-N	-1	3	350.357	2.126	20	30		FEEDHM
N#Cc1ccc(CNC(=O)CCc2ccc(-c3nn[n-]n3)cc2)c(F)c1	ZINC000737710756	598303723	/nfs/dbraw/zinc/30/37/23/598303723.db2.gz	CAHZDFUVXJOFBF-UHFFFAOYSA-N	-1	3	350.357	2.126	20	30		FEEDHM
Cc1nc(SCC(=O)N[C@@H](C#N)CC(C)C)c(-c2nnn[n-]2)c(C)c1C	ZINC000737482282	598333961	/nfs/dbraw/zinc/33/39/61/598333961.db2.gz	GXOOQJIGKQBYOY-CYBMUJFWSA-N	-1	3	373.486	2.334	20	30		FEEDHM
Cc1nc(SCC(=O)N[C@@H](C#N)CC(C)C)c(-c2nn[n-]n2)c(C)c1C	ZINC000737482282	598333963	/nfs/dbraw/zinc/33/39/63/598333963.db2.gz	GXOOQJIGKQBYOY-CYBMUJFWSA-N	-1	3	373.486	2.334	20	30		FEEDHM
N#Cc1ccc(N2CCC(Nc3cccc(F)c3-c3nnn[n-]3)CC2)nc1	ZINC000737717595	598459304	/nfs/dbraw/zinc/45/93/04/598459304.db2.gz	HJUJFRDXWKGJEN-UHFFFAOYSA-N	-1	3	364.388	2.353	20	30		FEEDHM
N#Cc1ccc(N2CCC(Nc3cccc(F)c3-c3nn[n-]n3)CC2)nc1	ZINC000737717595	598459305	/nfs/dbraw/zinc/45/93/05/598459305.db2.gz	HJUJFRDXWKGJEN-UHFFFAOYSA-N	-1	3	364.388	2.353	20	30		FEEDHM
C=CCCO[C@H](C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F	ZINC000735416720	598544732	/nfs/dbraw/zinc/54/47/32/598544732.db2.gz	PMYMJOIXZYDBEL-SECBINFHSA-N	-1	3	353.329	2.388	20	30		FEEDHM
C=CCCO[C@H](C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F	ZINC000735416720	598544733	/nfs/dbraw/zinc/54/47/33/598544733.db2.gz	PMYMJOIXZYDBEL-SECBINFHSA-N	-1	3	353.329	2.388	20	30		FEEDHM
CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CSc1ccc(C#N)cc1	ZINC000736820041	598652461	/nfs/dbraw/zinc/65/24/61/598652461.db2.gz	JLCGLEYMNSRYKW-UHFFFAOYSA-N	-1	3	364.434	2.489	20	30		FEEDHM
CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CSc1ccc(C#N)cc1	ZINC000736820041	598652463	/nfs/dbraw/zinc/65/24/63/598652463.db2.gz	JLCGLEYMNSRYKW-UHFFFAOYSA-N	-1	3	364.434	2.489	20	30		FEEDHM
N#Cc1cccnc1N1CCN(c2ccc(Cl)cc2-c2nnn[n-]2)CC1	ZINC000737727858	598792483	/nfs/dbraw/zinc/79/24/83/598792483.db2.gz	UACRBWNGTVHFCJ-UHFFFAOYSA-N	-1	3	366.816	2.113	20	30		FEEDHM
N#Cc1cccnc1N1CCN(c2ccc(Cl)cc2-c2nn[n-]n2)CC1	ZINC000737727858	598792485	/nfs/dbraw/zinc/79/24/85/598792485.db2.gz	UACRBWNGTVHFCJ-UHFFFAOYSA-N	-1	3	366.816	2.113	20	30		FEEDHM
CN(Cc1nnc(-c2cccc(C#N)c2)o1)Cc1cccc(-c2nnn[n-]2)c1	ZINC000821613529	599558967	/nfs/dbraw/zinc/55/89/67/599558967.db2.gz	RDISWOVZDXUZKF-UHFFFAOYSA-N	-1	3	372.392	2.420	20	30		FEEDHM
CN(Cc1nnc(-c2cccc(C#N)c2)o1)Cc1cccc(-c2nn[n-]n2)c1	ZINC000821613529	599558969	/nfs/dbraw/zinc/55/89/69/599558969.db2.gz	RDISWOVZDXUZKF-UHFFFAOYSA-N	-1	3	372.392	2.420	20	30		FEEDHM
C#CCOc1ccc(C(=O)OCCOc2ccccc2-c2nnn[n-]2)cc1	ZINC000819709907	599664634	/nfs/dbraw/zinc/66/46/34/599664634.db2.gz	UBVYRBWOPQDEEV-UHFFFAOYSA-N	-1	3	364.361	2.115	20	30		FEEDHM
C#CCOc1ccc(C(=O)OCCOc2ccccc2-c2nn[n-]n2)cc1	ZINC000819709907	599664635	/nfs/dbraw/zinc/66/46/35/599664635.db2.gz	UBVYRBWOPQDEEV-UHFFFAOYSA-N	-1	3	364.361	2.115	20	30		FEEDHM
COc1cc(CN[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc(OC)c1OC	ZINC000831999911	601298450	/nfs/dbraw/zinc/29/84/50/601298450.db2.gz	CLRWLBILZWJQOP-QGZVFWFLSA-N	-1	3	356.378	2.500	20	30		FEEDHM
N#Cc1cccc([C@H](NCc2ccc(CN3CCOCC3)cc2)C(=O)[O-])c1	ZINC000833074721	601298972	/nfs/dbraw/zinc/29/89/72/601298972.db2.gz	DVBZZPOJPSPUTI-FQEVSTJZSA-N	-1	3	365.433	2.306	20	30		FEEDHM
CN(c1cccnn1)C1CCN([C@@H](C(=O)[O-])c2cccc(C#N)c2)CC1	ZINC000830895291	601315066	/nfs/dbraw/zinc/31/50/66/601315066.db2.gz	VZESNZLQUUDSGI-GOSISDBHSA-N	-1	3	351.410	2.075	20	30		FEEDHM
C=CCCO[C@H](C)C(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1	ZINC000825676240	601733923	/nfs/dbraw/zinc/73/39/23/601733923.db2.gz	ZSFXOFLLQFUHCN-UZLBHIALSA-N	-1	3	360.454	2.203	20	30		FEEDHM
COc1ccc(CNC(=S)Nc2ccccc2C#N)cc1-c1nnn[n-]1	ZINC000826201935	607529794	/nfs/dbraw/zinc/52/97/94/607529794.db2.gz	IPHUJNZLCUPXAN-UHFFFAOYSA-N	-1	3	365.422	2.234	20	30		FEEDHM
COc1ccc(CNC(=S)Nc2ccccc2C#N)cc1-c1nn[n-]n1	ZINC000826201935	607529796	/nfs/dbraw/zinc/52/97/96/607529796.db2.gz	IPHUJNZLCUPXAN-UHFFFAOYSA-N	-1	3	365.422	2.234	20	30		FEEDHM
Cc1sc(NC(=O)CN[C@](C)(CNC(=O)[O-])C(C)C)c(C#N)c1C	ZINC000830956521	603754421	/nfs/dbraw/zinc/75/44/21/603754421.db2.gz	IMLNFXLLJCZTRX-MRXNPFEDSA-N	-1	3	352.460	2.447	20	30		FEEDHM
N#Cc1ccc(CN2CCC[C@H](CNC(=O)[C@@H]3CCCN3C(=O)[O-])C2)cc1	ZINC000833971750	605520510	/nfs/dbraw/zinc/52/05/10/605520510.db2.gz	MNNKHLMAYJAFTK-MSOLQXFVSA-N	-1	3	370.453	2.029	20	30		FEEDHM
C[C@@H]1C[C@@H](CNC(=O)[O-])CN1CC(=O)C(C#N)c1nc2ccccc2s1	ZINC000833827982	605883093	/nfs/dbraw/zinc/88/30/93/605883093.db2.gz	COCLPCZEAQYBMZ-FRRDWIJNSA-N	-1	3	372.450	2.451	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCc1ccn(C)c1	ZINC000819745408	606184467	/nfs/dbraw/zinc/18/44/67/606184467.db2.gz	BJVIXEOLNSLROT-UHFFFAOYSA-N	-1	3	351.414	2.103	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCc1ccn(C)c1	ZINC000819745408	606184469	/nfs/dbraw/zinc/18/44/69/606184469.db2.gz	BJVIXEOLNSLROT-UHFFFAOYSA-N	-1	3	351.414	2.103	20	30		FEEDHM
CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(C#N)cn1C	ZINC000821123795	606291569	/nfs/dbraw/zinc/29/15/69/606291569.db2.gz	ZLBSTUKAZIBXGC-UHFFFAOYSA-N	-1	3	350.386	2.151	20	30		FEEDHM
O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1ccc2c(c1)NC(=O)CO2	ZINC000823541259	606305036	/nfs/dbraw/zinc/30/50/36/606305036.db2.gz	NIPMHGNMRDTUIL-NSCUHMNNSA-N	-1	3	353.363	2.155	20	30		FEEDHM
O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1ccc2c(c1)NC(=O)CO2	ZINC000823541259	606305038	/nfs/dbraw/zinc/30/50/38/606305038.db2.gz	NIPMHGNMRDTUIL-NSCUHMNNSA-N	-1	3	353.363	2.155	20	30		FEEDHM
CSc1nc(C2CC2)cc(C(=O)N[C@H]2CCC[C@@H]2C#N)c1-c1nnn[n-]1	ZINC000821990837	606325657	/nfs/dbraw/zinc/32/56/57/606325657.db2.gz	XAWGARNKMAVSKH-PWSUYJOCSA-N	-1	3	369.454	2.283	20	30		FEEDHM
COc1ccc(NC(=S)NN=Cc2ccc(-c3nnn[n-]3)s2)cc1	ZINC000821835439	606369300	/nfs/dbraw/zinc/36/93/00/606369300.db2.gz	KXYMRHRWPHSENV-UHFFFAOYSA-N	-1	3	359.440	2.257	20	30		FEEDHM
CN(C(=O)c1c(F)cc(C#N)cc1F)c1ccc(-c2nnn[n-]2)cc1F	ZINC000821572100	606676994	/nfs/dbraw/zinc/67/69/94/606676994.db2.gz	RHXJZNSGJNZIKR-UHFFFAOYSA-N	-1	3	358.283	2.432	20	30		FEEDHM
CN(C(=O)c1c(F)cc(C#N)cc1F)c1ccc(-c2nn[n-]n2)cc1F	ZINC000821572100	606676995	/nfs/dbraw/zinc/67/69/95/606676995.db2.gz	RHXJZNSGJNZIKR-UHFFFAOYSA-N	-1	3	358.283	2.432	20	30		FEEDHM
C#CCOc1ccccc1CNC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F	ZINC000819709501	606679600	/nfs/dbraw/zinc/67/96/00/606679600.db2.gz	HEQKHMKVIZDPBL-UHFFFAOYSA-N	-1	3	369.331	2.087	20	30		FEEDHM
C#CCOc1ccccc1CNC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F	ZINC000819709501	606679601	/nfs/dbraw/zinc/67/96/01/606679601.db2.gz	HEQKHMKVIZDPBL-UHFFFAOYSA-N	-1	3	369.331	2.087	20	30		FEEDHM
C#CCOCCOC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C	ZINC000819701867	606823138	/nfs/dbraw/zinc/82/31/38/606823138.db2.gz	OOVJLWKEOZTAAK-UHFFFAOYSA-N	-1	3	365.393	2.081	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1CCCc2n[nH]cc21	ZINC000819743637	606901950	/nfs/dbraw/zinc/90/19/50/606901950.db2.gz	MYFXTDGHHRTDFS-OAHLLOKOSA-N	-1	3	363.425	2.225	20	30		FEEDHM
CC1CC(C#N)(C(=O)N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)C1	ZINC000820642914	606905009	/nfs/dbraw/zinc/90/50/09/606905009.db2.gz	MRXAKMLFBGKKHL-UHFFFAOYSA-N	-1	3	366.425	2.176	20	30		FEEDHM
CC1CC(C#N)(C(=O)N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)C1	ZINC000820642914	606905010	/nfs/dbraw/zinc/90/50/10/606905010.db2.gz	MRXAKMLFBGKKHL-UHFFFAOYSA-N	-1	3	366.425	2.176	20	30		FEEDHM
C#CCOc1ccccc1CNc1nnc(CC)c(CC)c1-c1nnn[n-]1	ZINC000819709565	606935163	/nfs/dbraw/zinc/93/51/63/606935163.db2.gz	JKRKDGZYZAPDCE-UHFFFAOYSA-N	-1	3	363.425	2.406	20	30		FEEDHM
C#CCOc1ccccc1CNc1nnc(CC)c(CC)c1-c1nn[n-]n1	ZINC000819709565	606935165	/nfs/dbraw/zinc/93/51/65/606935165.db2.gz	JKRKDGZYZAPDCE-UHFFFAOYSA-N	-1	3	363.425	2.406	20	30		FEEDHM
CCc1nnc(NCc2cc(-c3nnn[n-]3)ccc2F)c(C#N)c1CC	ZINC000821541852	606940736	/nfs/dbraw/zinc/94/07/36/606940736.db2.gz	BIVDGZNLVSJDHA-UHFFFAOYSA-N	-1	3	352.377	2.404	20	30		FEEDHM
CCc1nnc(NCc2cc(-c3nn[n-]n3)ccc2F)c(C#N)c1CC	ZINC000821541852	606940737	/nfs/dbraw/zinc/94/07/37/606940737.db2.gz	BIVDGZNLVSJDHA-UHFFFAOYSA-N	-1	3	352.377	2.404	20	30		FEEDHM
C[C@H](Oc1ccccc1C#N)C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1	ZINC000820549729	606993205	/nfs/dbraw/zinc/99/32/05/606993205.db2.gz	QZFAOKQUKIEVTA-NSHDSACASA-N	-1	3	367.340	2.388	20	30		FEEDHM
C[C@H](Oc1ccccc1C#N)C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1	ZINC000820549729	606993206	/nfs/dbraw/zinc/99/32/06/606993206.db2.gz	QZFAOKQUKIEVTA-NSHDSACASA-N	-1	3	367.340	2.388	20	30		FEEDHM
N#Cc1ccc(NC(=O)COc2ccccc2-c2nnn[n-]2)c(Cl)c1	ZINC000822829630	607190211	/nfs/dbraw/zinc/19/02/11/607190211.db2.gz	AVYLACCQPFODLF-UHFFFAOYSA-N	-1	3	354.757	2.409	20	30		FEEDHM
N#Cc1ccc(NC(=O)COc2ccccc2-c2nn[n-]n2)c(Cl)c1	ZINC000822829630	607190212	/nfs/dbraw/zinc/19/02/12/607190212.db2.gz	AVYLACCQPFODLF-UHFFFAOYSA-N	-1	3	354.757	2.409	20	30		FEEDHM
C[C@@H](NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl)c1ccc(C#N)cc1	ZINC000820403922	607232598	/nfs/dbraw/zinc/23/25/98/607232598.db2.gz	MYQWGIGABCAYKB-SECBINFHSA-N	-1	3	353.773	2.278	20	30		FEEDHM
C[C@@H](NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl)c1ccc(C#N)cc1	ZINC000820403922	607232599	/nfs/dbraw/zinc/23/25/99/607232599.db2.gz	MYQWGIGABCAYKB-SECBINFHSA-N	-1	3	353.773	2.278	20	30		FEEDHM
Cc1onc(-c2ccncc2)c1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1	ZINC000822553478	607238313	/nfs/dbraw/zinc/23/83/13/607238313.db2.gz	KWPKTAFHWBNLAO-UHFFFAOYSA-N	-1	3	372.348	2.349	20	30		FEEDHM
Cc1onc(-c2ccncc2)c1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1	ZINC000822553478	607238314	/nfs/dbraw/zinc/23/83/14/607238314.db2.gz	KWPKTAFHWBNLAO-UHFFFAOYSA-N	-1	3	372.348	2.349	20	30		FEEDHM
C[C@H](C#N)CN(Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)C1CC1	ZINC000824033857	607831524	/nfs/dbraw/zinc/83/15/24/607831524.db2.gz	CKWQSMNGZOFAOK-LLVKDONJSA-N	-1	3	350.386	2.041	20	30		FEEDHM
C[C@H](C#N)CN(Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)C1CC1	ZINC000824033857	607831525	/nfs/dbraw/zinc/83/15/25/607831525.db2.gz	CKWQSMNGZOFAOK-LLVKDONJSA-N	-1	3	350.386	2.041	20	30		FEEDHM
N#Cc1cc(NC(=O)C=Cc2ccc(Cl)nc2)ccc1-c1nnn[n-]1	ZINC000826384214	608005016	/nfs/dbraw/zinc/00/50/16/608005016.db2.gz	LTGNZTROGKDRSW-KXFIGUGUSA-N	-1	3	351.757	2.439	20	30		FEEDHM
N#Cc1cc(NC(=O)C=Cc2ccc(Cl)nc2)ccc1-c1nn[n-]n1	ZINC000826384214	608005017	/nfs/dbraw/zinc/00/50/17/608005017.db2.gz	LTGNZTROGKDRSW-KXFIGUGUSA-N	-1	3	351.757	2.439	20	30		FEEDHM
N#Cc1cccc([C@H]2CN(Cc3cc(F)ccc3-c3nnn[n-]3)CCO2)c1	ZINC000826386384	608070540	/nfs/dbraw/zinc/07/05/40/608070540.db2.gz	BNBYPKSCJZPLMQ-GOSISDBHSA-N	-1	3	364.384	2.451	20	30		FEEDHM
N#Cc1cccc([C@H]2CN(Cc3cc(F)ccc3-c3nn[n-]n3)CCO2)c1	ZINC000826386384	608070541	/nfs/dbraw/zinc/07/05/41/608070541.db2.gz	BNBYPKSCJZPLMQ-GOSISDBHSA-N	-1	3	364.384	2.451	20	30		FEEDHM
N#Cc1cccc([C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)cs3)CCO2)c1	ZINC000826386731	608080407	/nfs/dbraw/zinc/08/04/07/608080407.db2.gz	QSVVFIVUJRJANK-AWEZNQCLSA-N	-1	3	366.406	2.014	20	30		FEEDHM
N#Cc1cccc([C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)cs3)CCO2)c1	ZINC000826386731	608080408	/nfs/dbraw/zinc/08/04/08/608080408.db2.gz	QSVVFIVUJRJANK-AWEZNQCLSA-N	-1	3	366.406	2.014	20	30		FEEDHM
Cn1cc(CN2CCC[C@@](C)(C#N)C2)c(-c2ccc(-c3nnn[n-]3)cc2)n1	ZINC000826360699	608126251	/nfs/dbraw/zinc/12/62/51/608126251.db2.gz	UUDAPFJIIQCDOH-IBGZPJMESA-N	-1	3	362.441	2.393	20	30		FEEDHM
Cn1cc(CN2CCC[C@@](C)(C#N)C2)c(-c2ccc(-c3nn[n-]n3)cc2)n1	ZINC000826360699	608126252	/nfs/dbraw/zinc/12/62/52/608126252.db2.gz	UUDAPFJIIQCDOH-IBGZPJMESA-N	-1	3	362.441	2.393	20	30		FEEDHM
Cn1cc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c(-c2ccccc2)n1	ZINC000826358793	608260994	/nfs/dbraw/zinc/26/09/94/608260994.db2.gz	ITZLQMUOXIJVEN-UHFFFAOYSA-N	-1	3	370.376	2.391	20	30		FEEDHM
Cn1cc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c(-c2ccccc2)n1	ZINC000826358793	608260996	/nfs/dbraw/zinc/26/09/96/608260996.db2.gz	ITZLQMUOXIJVEN-UHFFFAOYSA-N	-1	3	370.376	2.391	20	30		FEEDHM
Cc1c(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)sc2nccn12	ZINC000826234934	608494425	/nfs/dbraw/zinc/49/44/25/608494425.db2.gz	VHAVYBABSCIORW-UHFFFAOYSA-N	-1	3	350.367	2.008	20	30		FEEDHM
Cc1c(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)sc2nccn12	ZINC000826234934	608494426	/nfs/dbraw/zinc/49/44/26/608494426.db2.gz	VHAVYBABSCIORW-UHFFFAOYSA-N	-1	3	350.367	2.008	20	30		FEEDHM
COc1ccc(CN=Nc2cc(C#N)cc(Cl)n2)cc1-c1nn[n-]n1	ZINC000826190794	608534139	/nfs/dbraw/zinc/53/41/39/608534139.db2.gz	NQBSKUVHHUDKSP-UHFFFAOYSA-N	-1	3	354.761	2.241	20	30		FEEDHM
Cc1cc2c(c(C)c1)NC(=O)C2=NNc1cc(-c2nnn[n-]2)cc(Cl)n1	ZINC000826264030	608541198	/nfs/dbraw/zinc/54/11/98/608541198.db2.gz	ZVFIBYIZSSKIAA-UHFFFAOYSA-N	-1	3	368.788	2.300	20	30		FEEDHM
Cc1cc2c(c(C)c1)NC(=O)C2=NNc1cc(-c2nn[n-]n2)cc(Cl)n1	ZINC000826264030	608541199	/nfs/dbraw/zinc/54/11/99/608541199.db2.gz	ZVFIBYIZSSKIAA-UHFFFAOYSA-N	-1	3	368.788	2.300	20	30		FEEDHM
CCN1c2ccccc2C(=NNc2cc(-c3nnn[n-]3)cc(Cl)n2)C1=O	ZINC000825444825	608542284	/nfs/dbraw/zinc/54/22/84/608542284.db2.gz	RZAHXFZXBNXJDY-UHFFFAOYSA-N	-1	3	368.788	2.098	20	30		FEEDHM
CCN1c2ccccc2C(=NNc2cc(-c3nn[n-]n3)cc(Cl)n2)C1=O	ZINC000825444825	608542286	/nfs/dbraw/zinc/54/22/86/608542286.db2.gz	RZAHXFZXBNXJDY-UHFFFAOYSA-N	-1	3	368.788	2.098	20	30		FEEDHM
N#CCc1ccccc1CC(=O)OCc1cn2ccccc2c1-c1nnn[n-]1	ZINC000826382867	609244829	/nfs/dbraw/zinc/24/48/29/609244829.db2.gz	YJFNTCQNSSKKQF-UHFFFAOYSA-N	-1	3	372.388	2.471	20	30		FEEDHM
N#CCc1ccccc1CC(=O)OCc1cn2ccccc2c1-c1nn[n-]n1	ZINC000826382867	609244831	/nfs/dbraw/zinc/24/48/31/609244831.db2.gz	YJFNTCQNSSKKQF-UHFFFAOYSA-N	-1	3	372.388	2.471	20	30		FEEDHM
O=C(C=Cc1ccc(-n2cncn2)cc1)c1ccc(-c2nnn[n-]2)cc1F	ZINC000826399995	609270527	/nfs/dbraw/zinc/27/05/27/609270527.db2.gz	MIWFKUDXPWPXOM-FPYGCLRLSA-N	-1	3	361.340	2.483	20	30		FEEDHM
O=C(C=Cc1ccc(-n2cncn2)cc1)c1ccc(-c2nn[n-]n2)cc1F	ZINC000826399995	609270528	/nfs/dbraw/zinc/27/05/28/609270528.db2.gz	MIWFKUDXPWPXOM-FPYGCLRLSA-N	-1	3	361.340	2.483	20	30		FEEDHM
N#CCCN(Cc1ccccn1)C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1	ZINC000826381324	609301016	/nfs/dbraw/zinc/30/10/16/609301016.db2.gz	HJNFFGZGWXIZNP-UHFFFAOYSA-N	-1	3	367.800	2.471	20	30		FEEDHM
N#CCCN(Cc1ccccn1)C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1	ZINC000826381324	609301018	/nfs/dbraw/zinc/30/10/18/609301018.db2.gz	HJNFFGZGWXIZNP-UHFFFAOYSA-N	-1	3	367.800	2.471	20	30		FEEDHM
Brc1cccc(C=NNCc2ccc(-c3nnn[n-]3)cc2)n1	ZINC000823832532	609305724	/nfs/dbraw/zinc/30/57/24/609305724.db2.gz	PZZPIESMSQFOQV-UHFFFAOYSA-N	-1	3	358.203	2.148	20	30		FEEDHM
Brc1cccc(C=NNCc2ccc(-c3nn[n-]n3)cc2)n1	ZINC000823832532	609305726	/nfs/dbraw/zinc/30/57/26/609305726.db2.gz	PZZPIESMSQFOQV-UHFFFAOYSA-N	-1	3	358.203	2.148	20	30		FEEDHM
CC[C@@H](C)n1nc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1C	ZINC000825083116	609321644	/nfs/dbraw/zinc/32/16/44/609321644.db2.gz	XNNFOBAOPOPEFY-SNVBAGLBSA-N	-1	3	350.386	2.467	20	30		FEEDHM
CC[C@@H](C)n1nc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1C	ZINC000825083116	609321646	/nfs/dbraw/zinc/32/16/46/609321646.db2.gz	XNNFOBAOPOPEFY-SNVBAGLBSA-N	-1	3	350.386	2.467	20	30		FEEDHM
C[C@@H](C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)N1CCc2ccccc21	ZINC000824045060	609383366	/nfs/dbraw/zinc/38/33/66/609383366.db2.gz	FIGSTKCRAZSJEN-LBPRGKRZSA-N	-1	3	359.393	2.128	20	30		FEEDHM
C[C@@H](C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)N1CCc2ccccc21	ZINC000824045060	609383369	/nfs/dbraw/zinc/38/33/69/609383369.db2.gz	FIGSTKCRAZSJEN-LBPRGKRZSA-N	-1	3	359.393	2.128	20	30		FEEDHM
COCCOc1ccc(C#N)cc1NCc1cccc(-c2nnn[n-]2)c1	ZINC000826162545	609483296	/nfs/dbraw/zinc/48/32/96/609483296.db2.gz	HRQJLACSTJBCIQ-UHFFFAOYSA-N	-1	3	350.382	2.376	20	30		FEEDHM
COCCOc1ccc(C#N)cc1NCc1cccc(-c2nn[n-]n2)c1	ZINC000826162545	609483298	/nfs/dbraw/zinc/48/32/98/609483298.db2.gz	HRQJLACSTJBCIQ-UHFFFAOYSA-N	-1	3	350.382	2.376	20	30		FEEDHM
N#CCn1cc([N-]S(=O)(=O)CCc2ccccc2Br)cn1	ZINC000812267923	674660390	/nfs/dbraw/zinc/66/03/90/674660390.db2.gz	OBCUPMPHUGOOEK-UHFFFAOYSA-N	-1	3	369.244	2.154	20	30		FEEDHM
CC(C)C[C@H]([N-]S(=O)(=O)CCC(C)(C)C#N)C(=O)Nc1nccs1	ZINC000561998219	674714681	/nfs/dbraw/zinc/71/46/81/674714681.db2.gz	SEMFCJVNBHERAG-LBPRGKRZSA-N	-1	3	372.516	2.356	20	30		FEEDHM
CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OC1CC(C)C1	ZINC000813234690	674731090	/nfs/dbraw/zinc/73/10/90/674731090.db2.gz	MMLKEDWTMSOUPE-PIMMBPRGSA-N	-1	3	364.467	2.482	20	30		FEEDHM
CC#CC[C@@H](CO)[N-]S(=O)(=O)c1c(Cl)cccc1Br	ZINC000645884385	677274174	/nfs/dbraw/zinc/27/41/74/677274174.db2.gz	DDJYXWINANJSDT-VIFPVBQESA-N	-1	3	366.664	2.155	20	30		FEEDHM
Cc1nccc(C=Nn2c(=S)[n-]nc2[C@H]2COc3ccccc3O2)n1	ZINC000814741869	674877799	/nfs/dbraw/zinc/87/77/99/674877799.db2.gz	SBNRPPBHWVNXSQ-CQSZACIVSA-N	-1	3	354.395	2.060	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)NCc2ccccc2F)ccc1F	ZINC000029005689	670094029	/nfs/dbraw/zinc/09/40/29/670094029.db2.gz	ZPRRAMCWRMNWTB-UHFFFAOYSA-N	-1	3	366.389	2.359	20	30		FEEDHM
O=C(N[C@@H]1CCCN([O-])C1=O)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F	ZINC000816756248	675077995	/nfs/dbraw/zinc/07/79/95/675077995.db2.gz	SWUVXZVWRGHTDB-GRYCIOLGSA-N	-1	3	358.316	2.185	20	30		FEEDHM
CC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2cncc(C#N)c2)c1	ZINC000573672964	671149743	/nfs/dbraw/zinc/14/97/43/671149743.db2.gz	LATSFZHJQJFXRI-UHFFFAOYSA-N	-1	3	350.787	2.366	20	30		FEEDHM
Cc1nsc(NCC[N-]S(=O)(=O)c2ccc(Cl)s2)c1C#N	ZINC000575891914	671329112	/nfs/dbraw/zinc/32/91/12/671329112.db2.gz	XOXAXQZMBREKJO-UHFFFAOYSA-N	-1	3	362.889	2.429	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H](C)[C@@H](C)C2)ccc1F	ZINC000132125526	672094883	/nfs/dbraw/zinc/09/48/83/672094883.db2.gz	VDTBUFDDYVSUFB-OLZOCXBDSA-N	-1	3	354.447	2.408	20	30		FEEDHM
C[N-]S(=O)(=O)c1cc(C(=O)OC[C@@H](C#N)Cc2cccs2)c(C)o1	ZINC000180076836	672408376	/nfs/dbraw/zinc/40/83/76/672408376.db2.gz	WKIXCXZFCPLFAS-LLVKDONJSA-N	-1	3	368.436	2.097	20	30		FEEDHM
COc1ccc2c(c1)OCC[C@H]2[N-]S(=O)(=O)c1ccsc1C#N	ZINC000593553943	672941311	/nfs/dbraw/zinc/94/13/11/672941311.db2.gz	VBYWHTFMDPHYJV-GFCCVEGCSA-N	-1	3	350.421	2.430	20	30		FEEDHM
Cc1ncc(S(=O)(=O)[N-]c2ccncc2Br)cc1C#N	ZINC000312515828	673028575	/nfs/dbraw/zinc/02/85/75/673028575.db2.gz	HNQONSGCVIBCMD-UHFFFAOYSA-N	-1	3	353.201	2.220	20	30		FEEDHM
C=CCC1([N-]S(=O)(=O)c2ccc(C(=O)OCC)cc2F)CCOCC1	ZINC000594845985	673160475	/nfs/dbraw/zinc/16/04/75/673160475.db2.gz	PKNFOENVLHBJGJ-UHFFFAOYSA-N	-1	3	371.430	2.406	20	30		FEEDHM
Cn1cc(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)c(=O)[nH]c1=O	ZINC000613392322	676127416	/nfs/dbraw/zinc/12/74/16/676127416.db2.gz	NSELKGFGLXNVCF-NSHDSACASA-N	-1	3	352.375	2.099	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C[C@H](C)OC)C(C)C)ccc1F	ZINC000740803461	673655094	/nfs/dbraw/zinc/65/50/94/673655094.db2.gz	QIAVTHNDGKAXBJ-ZDUSSCGKSA-N	-1	3	372.462	2.176	20	30		FEEDHM
CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OCCCF	ZINC000741447395	673687113	/nfs/dbraw/zinc/68/71/13/673687113.db2.gz	DQLVOYLKHNPKAS-ZDUSSCGKSA-N	-1	3	356.419	2.043	20	30		FEEDHM
Cc1ncc(CNC(=O)NCCSCc2ccccc2C#N)c(=O)[n-]1	ZINC000544125287	673692567	/nfs/dbraw/zinc/69/25/67/673692567.db2.gz	FXTNGZXFUOOPIM-UHFFFAOYSA-N	-1	3	357.439	2.095	20	30		FEEDHM
C[C@@H](CC(=O)N1CCC(C)(C)CC1)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000742618597	673732602	/nfs/dbraw/zinc/73/26/02/673732602.db2.gz	ILLGUBRRCGPILR-ZDUSSCGKSA-N	-1	3	363.483	2.152	20	30		FEEDHM
Cc1c(C([O-])=C(C#N)C(=O)Nc2ccc(SC(F)F)cc2)nnn1C	ZINC000744027136	673779827	/nfs/dbraw/zinc/77/98/27/673779827.db2.gz	JMWINWAQUUHYMM-NSHDSACASA-N	-1	3	365.365	2.399	20	30		FEEDHM
C[C@H](CC(=O)N1C[C@@H](C)CC1(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000746654084	673888311	/nfs/dbraw/zinc/88/83/11/673888311.db2.gz	JRVAOTQBEUFWRV-QWHCGFSZSA-N	-1	3	363.483	2.151	20	30		FEEDHM
CC(C)(C)[C@H]([N-]S(C)(=O)=O)C(=O)OCC#Cc1ccccc1Cl	ZINC000747091205	673906313	/nfs/dbraw/zinc/90/63/13/673906313.db2.gz	YJBVUSXAKNUEDP-CQSZACIVSA-N	-1	3	357.859	2.199	20	30		FEEDHM
CCOC(=O)[C@H]([N-]S(=O)(=O)Cc1ccc(CC#N)cc1)[C@H](C)CC	ZINC000567781516	675322171	/nfs/dbraw/zinc/32/21/71/675322171.db2.gz	HNVUXLIUXUFPSD-CZUORRHYSA-N	-1	3	352.456	2.150	20	30		FEEDHM
COc1ccc(C(=O)N[C@H]2CCCN([O-])C2=O)c(OCCC(C)C)c1	ZINC000820482080	675365303	/nfs/dbraw/zinc/36/53/03/675365303.db2.gz	DBDNFKAGQDRIFK-HNNXBMFYSA-N	-1	3	350.415	2.230	20	30		FEEDHM
COc1ccc(C(=O)N[C@@H]2CCCN([O-])C2=O)c(OCCC(C)C)c1	ZINC000820482082	675365346	/nfs/dbraw/zinc/36/53/46/675365346.db2.gz	DBDNFKAGQDRIFK-OAHLLOKOSA-N	-1	3	350.415	2.230	20	30		FEEDHM
CN(C)c1ccc2c(c1)NC(=O)C2=N[N-]c1ccc(C(F)(F)F)nn1	ZINC000761827563	680732449	/nfs/dbraw/zinc/73/24/49/680732449.db2.gz	GQYRURQIGPHBJL-UHFFFAOYSA-N	-1	3	350.304	2.330	20	30		FEEDHM
N#CCSc1ccccc1C(=O)NCCNC(=O)c1ccc([O-])cc1	ZINC000761955574	680735857	/nfs/dbraw/zinc/73/58/57/680735857.db2.gz	ACIGQJKZMQLHDP-UHFFFAOYSA-N	-1	3	355.419	2.168	20	30		FEEDHM
C#CCOc1ccc([C@H](C)OC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C)cc1	ZINC000764634828	680817582	/nfs/dbraw/zinc/81/75/82/680817582.db2.gz	WEDIHVSVQIDKEF-XJKSGUPXSA-N	-1	3	367.467	2.267	20	30		FEEDHM
C[C@@H](OC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21)c1ccco1	ZINC000764783615	680821086	/nfs/dbraw/zinc/82/10/86/680821086.db2.gz	VRYWUDYSYDWBCZ-NWDGAFQWSA-N	-1	3	362.407	2.401	20	30		FEEDHM
C#CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCCCC2)cc1	ZINC000840945447	680855725	/nfs/dbraw/zinc/85/57/25/680855725.db2.gz	OKFHQPFVPSBWMW-UHFFFAOYSA-N	-1	3	370.496	2.016	20	30		FEEDHM
CCOc1cc(C=NNS(=O)(=O)C(C)C)cc(Br)c1[O-]	ZINC000749745862	680071302	/nfs/dbraw/zinc/07/13/02/680071302.db2.gz	TVPXBSBAESIBBV-UHFFFAOYSA-N	-1	3	365.249	2.215	20	30		FEEDHM
CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NCC1(C)CC1	ZINC000752722155	680255972	/nfs/dbraw/zinc/25/59/72/680255972.db2.gz	NPFUHQXUGZQTSC-AWEZNQCLSA-N	-1	3	363.483	2.200	20	30		FEEDHM
[O-]c1c(O)cc(C=NNC2=N[C@@H]3CCCC[C@@H]3N2)cc1Br	ZINC000753936635	680325260	/nfs/dbraw/zinc/32/52/60/680325260.db2.gz	SWBDKBNDWKIDAF-PHIMTYICSA-N	-1	3	353.220	2.054	20	30		FEEDHM
CC(C)[N-]S(=O)(=O)c1cc(C(=O)N(C[C@@H](C)C#N)C2CC2)ccc1F	ZINC000754186144	680342308	/nfs/dbraw/zinc/34/23/08/680342308.db2.gz	QPVBZNOXSSWCNY-LBPRGKRZSA-N	-1	3	367.446	2.277	20	30		FEEDHM
CCCC1(CNC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)CC1	ZINC000759853567	680670046	/nfs/dbraw/zinc/67/00/46/680670046.db2.gz	MUVFIKRGHZLSRB-CYBMUJFWSA-N	-1	3	363.483	2.200	20	30		FEEDHM
C[C@H](CC(=O)N1C[C@H](C)[C@H](C)[C@H]1C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000841460113	680883536	/nfs/dbraw/zinc/88/35/36/680883536.db2.gz	GKNSLNJAEWJXET-RFQIPJPRSA-N	-1	3	363.483	2.007	20	30		FEEDHM
C#C[C@H](C)N(C)C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl	ZINC000769655806	680990522	/nfs/dbraw/zinc/99/05/22/680990522.db2.gz	IZIQBQGXQIREDV-JTQLQIEISA-N	-1	3	363.266	2.142	20	30		FEEDHM
C#C[C@@H](CC)[N-]S(=O)(=O)c1cc(F)c(Br)cc1OC	ZINC000770379819	681014291	/nfs/dbraw/zinc/01/42/91/681014291.db2.gz	VDWZWBRDMJDJHQ-QMMMGPOBSA-N	-1	3	350.209	2.287	20	30		FEEDHM
COCCc1nc(C)c(C(C)=N[N-]S(=O)(=O)Cc2ccccc2)s1	ZINC000770600620	681021304	/nfs/dbraw/zinc/02/13/04/681021304.db2.gz	AWNYFLWTQAMYMS-UHFFFAOYSA-N	-1	3	367.496	2.484	20	30		FEEDHM
C=Cn1cc(C=Nn2c(=S)[n-]nc2[C@@H]2COc3ccccc3O2)cn1	ZINC000773018287	681121687	/nfs/dbraw/zinc/12/16/87/681121687.db2.gz	LCHXSLWTSCDTFX-AWEZNQCLSA-N	-1	3	354.395	2.259	20	30		FEEDHM
O=C(N[C@@H]1CCCN([O-])C1=O)c1cc2ccccc2n1CC(F)(F)F	ZINC000848134150	681478067	/nfs/dbraw/zinc/47/80/67/681478067.db2.gz	OKEQNWZCGWACKN-LLVKDONJSA-N	-1	3	355.316	2.314	20	30		FEEDHM
O=C(CCSc1nc2ccccc2s1)N[C@@H]1CCCN([O-])C1=O	ZINC000848138923	681478720	/nfs/dbraw/zinc/47/87/20/681478720.db2.gz	VNZKELVVAFGMBF-LLVKDONJSA-N	-1	3	351.453	2.275	20	30		FEEDHM
C=C(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cc(C(=O)OC)cc(C)c1F	ZINC000848453938	681548168	/nfs/dbraw/zinc/54/81/68/681548168.db2.gz	UQBNZSDTOUXMEL-WBMJQRKESA-N	-1	3	371.430	2.180	20	30		FEEDHM
C=CCN(CCc1ccco1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000779142575	681684300	/nfs/dbraw/zinc/68/43/00/681684300.db2.gz	XSJQLSOAWWMTKD-UHFFFAOYSA-N	-1	3	364.423	2.228	20	30		FEEDHM
C[C@@H](CC(=O)NCC1CC(C)(C)C1)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000781116621	681903365	/nfs/dbraw/zinc/90/33/65/681903365.db2.gz	CWAGRRXEGFQIRG-LBPRGKRZSA-N	-1	3	363.483	2.056	20	30		FEEDHM
CO[C@@H](C[N-]S(=O)(=O)Cc1c(C)cc(C#N)cc1C)C(F)(F)F	ZINC000914110944	685494955	/nfs/dbraw/zinc/49/49/55/685494955.db2.gz	TWZBYUOIPLCVSL-ZDUSSCGKSA-N	-1	3	350.362	2.172	20	30		FEEDHM
CC(=NNC(=S)NC(C)(C)C)c1ccc([O-])c(CN2CCOCC2)c1	ZINC000916344764	685523760	/nfs/dbraw/zinc/52/37/60/685523760.db2.gz	WODIQNNIDMMMBM-UHFFFAOYSA-N	-1	3	364.515	2.211	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)Cc2ccoc2)ccc1F	ZINC000918664271	685540832	/nfs/dbraw/zinc/54/08/32/685540832.db2.gz	ACLOKMPIIKCGLZ-UHFFFAOYSA-N	-1	3	352.387	2.155	20	30		FEEDHM
N#CCCN(CCC#N)C(=O)COC(=O)c1cc2sccc2c([O-])c1	ZINC000786139912	682353037	/nfs/dbraw/zinc/35/30/37/682353037.db2.gz	KPJFFXCEVURCNX-UHFFFAOYSA-N	-1	3	357.391	2.420	20	30		FEEDHM
C=C[C@H]1CCCCN1C(=O)C[C@H](C)[N-]S(=O)(=O)c1cccnc1Cl	ZINC000787682750	682472777	/nfs/dbraw/zinc/47/27/77/682472777.db2.gz	ZDNVBGMDPIMCFJ-STQMWFEESA-N	-1	3	371.890	2.359	20	30		FEEDHM
C#CC[C@H](Cc1ccccc1)OC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C	ZINC000793375057	682885963	/nfs/dbraw/zinc/88/59/63/682885963.db2.gz	NXYUITVIGJFGBA-HZPDHXFCSA-N	-1	3	351.468	2.128	20	30		FEEDHM
N#CCc1cccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)cc2)c1	ZINC000794577907	682980801	/nfs/dbraw/zinc/98/08/01/682980801.db2.gz	BXEPVNNRBHOANK-UHFFFAOYSA-N	-1	3	357.435	2.390	20	30		FEEDHM
C=C(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cc(C(=O)OCC)ccc1F	ZINC000795973342	683113718	/nfs/dbraw/zinc/11/37/18/683113718.db2.gz	WRHWFHPSYXKCQN-CJNGLKHVSA-N	-1	3	371.430	2.262	20	30		FEEDHM
N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1cn2c(n1)COCC2	ZINC000860474349	683248795	/nfs/dbraw/zinc/24/87/95/683248795.db2.gz	YZQYQLVTXNWDKK-SNVBAGLBSA-N	-1	3	362.748	2.167	20	30		FEEDHM
N#Cc1ccc(NCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)nc1	ZINC000516098176	689916085	/nfs/dbraw/zinc/91/60/85/689916085.db2.gz	LIADGIHGYMIYAF-UHFFFAOYSA-N	-1	3	354.794	2.136	20	30		FEEDHM
N#Cc1cc(C(F)(F)F)cc(N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)n1	ZINC000897345240	690009174	/nfs/dbraw/zinc/00/91/74/690009174.db2.gz	JORHXVUQKUMVDT-JTQLQIEISA-N	-1	3	350.304	2.158	20	30		FEEDHM
C=C1CN(C(=O)c2cc(S(=O)(=O)[N-]C3CC3)c(Cl)cc2Cl)C1	ZINC000898692230	690230798	/nfs/dbraw/zinc/23/07/98/690230798.db2.gz	MVKXFPIARNLOCR-UHFFFAOYSA-N	-1	3	361.250	2.446	20	30		FEEDHM
CS(=O)(=O)N1CCC(C(=O)N([O-])Cc2cccc3ccccc32)CC1	ZINC000901371481	690641117	/nfs/dbraw/zinc/64/11/17/690641117.db2.gz	UYTXYVUFKDBVMI-UHFFFAOYSA-N	-1	3	362.451	2.229	20	30		FEEDHM
O=C([C@H]1CCC(F)(F)C1)N([O-])CCCN1C(=O)c2ccccc2C1=O	ZINC000904186258	691011108	/nfs/dbraw/zinc/01/11/08/691011108.db2.gz	TWVJYXUPZZSCEN-NSHDSACASA-N	-1	3	352.337	2.326	20	30		FEEDHM
O=C([C@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F)N([O-])Cc1ccccc1Cl	ZINC000904192415	691011499	/nfs/dbraw/zinc/01/14/99/691011499.db2.gz	KZJQCUPUKTXLJW-UWVGGRQHSA-N	-1	3	371.764	2.281	20	30		FEEDHM
C#CCCN1CCN(C(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)CC1	ZINC000906484441	691276059	/nfs/dbraw/zinc/27/60/59/691276059.db2.gz	YMLCXAWCMOYPKG-UHFFFAOYSA-N	-1	3	364.471	2.271	20	30		FEEDHM
C=CC(C)(C)NS(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)c(F)c1	ZINC000908461669	691683665	/nfs/dbraw/zinc/68/36/65/691683665.db2.gz	DWRZWIMGXXQNJS-UHFFFAOYSA-N	-1	3	364.464	2.220	20	30		FEEDHM
C=C(Cl)C[C@H](NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C)C(=O)[O-]	ZINC000909071400	691774369	/nfs/dbraw/zinc/77/43/69/691774369.db2.gz	XMLBUSYCQJJTRF-UHOFOFEASA-N	-1	3	365.861	2.402	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(N2CCCC2)nc1	ZINC000009976883	539510681	/nfs/dbraw/zinc/51/06/81/539510681.db2.gz	ULSWBQXVGSIQKL-UHFFFAOYSA-N	-1	3	365.437	2.430	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCCN(C)c1ccccc1	ZINC000017827072	539643810	/nfs/dbraw/zinc/64/38/10/539643810.db2.gz	COQYCBXZGYSDAQ-UHFFFAOYSA-N	-1	3	366.465	2.439	20	30		FEEDHM
N#Cc1c(N)n(-c2ccccc2)nc1CCCNC(=O)c1ccccc1[O-]	ZINC000029290154	539849455	/nfs/dbraw/zinc/84/94/55/539849455.db2.gz	FNZMWYADRAXRBK-UHFFFAOYSA-N	-1	3	361.405	2.394	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(OCC#N)c1	ZINC000046063745	540240683	/nfs/dbraw/zinc/24/06/83/540240683.db2.gz	HQVMBVNLWWCITR-UHFFFAOYSA-N	-1	3	350.378	2.337	20	30		FEEDHM
COC(=O)c1ccsc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C	ZINC000059326025	540864195	/nfs/dbraw/zinc/86/41/95/540864195.db2.gz	YUHHKYUKILCEOI-UHFFFAOYSA-N	-1	3	359.407	2.283	20	30		FEEDHM
N#Cc1ccc(C(=O)C[N-]S(=O)(=O)c2cnccc2C(F)(F)F)cc1	ZINC000551201940	674130549	/nfs/dbraw/zinc/13/05/49/674130549.db2.gz	UBSQUSPKRDCSID-UHFFFAOYSA-N	-1	3	369.324	2.133	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCc2c1cccc2O	ZINC000102824461	543082174	/nfs/dbraw/zinc/08/21/74/543082174.db2.gz	OWHWZJXDYHJONX-QGZVFWFLSA-N	-1	3	351.406	2.305	20	30		FEEDHM
CN1CCC[C@@H](C[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1	ZINC000108406664	543289292	/nfs/dbraw/zinc/28/92/92/543289292.db2.gz	LPLFLFMPNLGVFF-LBPRGKRZSA-N	-1	3	361.389	2.197	20	30		FEEDHM
COc1ccc(-c2noc(CCc3c(C)[n-]c(=O)c(C#N)c3C)n2)cn1	ZINC000109591123	543328265	/nfs/dbraw/zinc/32/82/65/543328265.db2.gz	ZSNUOJIGOQIBRL-UHFFFAOYSA-N	-1	3	351.366	2.102	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc(C(N)=O)ccc1Cl	ZINC000109719506	543335709	/nfs/dbraw/zinc/33/57/09/543335709.db2.gz	HYVJZYJMPNWECT-UHFFFAOYSA-N	-1	3	372.812	2.187	20	30		FEEDHM
COc1ccccc1O[C@@H](C)C[N-]S(=O)(=O)c1ccc(F)cc1C#N	ZINC000122953551	543733428	/nfs/dbraw/zinc/73/34/28/543733428.db2.gz	AJXLFBDFYCXDSU-LBPRGKRZSA-N	-1	3	364.398	2.452	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N(CC(F)F)C(C)C)ccc1F	ZINC000123356455	543757098	/nfs/dbraw/zinc/75/70/98/543757098.db2.gz	WZEVIVYBABKWEV-UHFFFAOYSA-N	-1	3	364.389	2.406	20	30		FEEDHM
COc1ccc(C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)c([O-])c1	ZINC000123509456	543766224	/nfs/dbraw/zinc/76/62/24/543766224.db2.gz	HAPQMEBCOVHELM-SFHVURJKSA-N	-1	3	351.406	2.423	20	30		FEEDHM
CCOC(=O)C1CCC(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)CC1	ZINC000124691265	543837422	/nfs/dbraw/zinc/83/74/22/543837422.db2.gz	NXRWBORIELWLFB-UHFFFAOYSA-N	-1	3	373.453	2.034	20	30		FEEDHM
Cn1c(C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)nnc1C1CCC1	ZINC000125785845	543901383	/nfs/dbraw/zinc/90/13/83/543901383.db2.gz	LIKTUPPWRVPWRQ-UHFFFAOYSA-N	-1	3	365.846	2.086	20	30		FEEDHM
N#Cc1cc(F)ccc1S(=O)(=O)[N-]CCOc1ccc(Cl)cn1	ZINC000126550419	543942902	/nfs/dbraw/zinc/94/29/02/543942902.db2.gz	HVTDCCIWQMZLHY-UHFFFAOYSA-N	-1	3	355.778	2.103	20	30		FEEDHM
C#C[C@H](C)Oc1ccc(COC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C)cc1	ZINC000802811533	674199596	/nfs/dbraw/zinc/19/95/96/674199596.db2.gz	JWFXHVQXUAMNJK-BBRMVZONSA-N	-1	3	367.467	2.094	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]Cc2cccc(Cn3cccn3)c2)c(F)c1	ZINC000151092428	544504188	/nfs/dbraw/zinc/50/41/88/544504188.db2.gz	KOHSJBFFCYCEEQ-UHFFFAOYSA-N	-1	3	370.409	2.421	20	30		FEEDHM
C[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1F)N(C)Cc1ccccc1	ZINC000151178120	544513829	/nfs/dbraw/zinc/51/38/29/544513829.db2.gz	IPUIHGLAVNFMAW-AWEZNQCLSA-N	-1	3	361.442	2.496	20	30		FEEDHM
C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](CCC#N)c2ccccc2)c(C)o1	ZINC000153503217	544783473	/nfs/dbraw/zinc/78/34/73/544783473.db2.gz	PINGHPBKOHCRPB-HNNXBMFYSA-N	-1	3	361.423	2.271	20	30		FEEDHM
CC(C)C(=O)N1CCC([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)CC1	ZINC000183472609	327820094	/nfs/dbraw/zinc/82/00/94/327820094.db2.gz	OAMQXAVTHADDCM-UHFFFAOYSA-N	-1	3	369.874	2.137	20	30		FEEDHM
CCO[C@H]1C[C@](O)(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)C1(C)C	ZINC000188480365	328089718	/nfs/dbraw/zinc/08/97/18/328089718.db2.gz	JIOMMONTKINOOR-HOCLYGCPSA-N	-1	3	372.874	2.056	20	30		FEEDHM
N#Cc1ccc(C2(C(=O)NCCCNC(=O)c3cccc([O-])c3)CC2)cc1	ZINC000188778313	328110228	/nfs/dbraw/zinc/11/02/28/328110228.db2.gz	OWZUJXGGNYYWDL-UHFFFAOYSA-N	-1	3	363.417	2.232	20	30		FEEDHM
C[C@H](CN1CCC[C@@H](C)C1)[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000189146852	328131176	/nfs/dbraw/zinc/13/11/76/328131176.db2.gz	GELVSELWBOTGLW-VXGBXAGGSA-N	-1	3	357.426	2.235	20	30		FEEDHM
N#Cc1cc(F)ccc1S(=O)(=O)[N-]Cc1noc(-c2ccccc2)n1	ZINC000193709116	328390939	/nfs/dbraw/zinc/39/09/39/328390939.db2.gz	YUIJBCNGOISQAF-UHFFFAOYSA-N	-1	3	358.354	2.226	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)CCOc1ccccc1F	ZINC000016112880	324384865	/nfs/dbraw/zinc/38/48/65/324384865.db2.gz	DGOGPBWDANWFNH-UHFFFAOYSA-N	-1	3	371.412	2.473	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@H](OCCC(C)C)C1	ZINC000081608360	325188494	/nfs/dbraw/zinc/18/84/94/325188494.db2.gz	QVEWVKPYLNLMGQ-MRXNPFEDSA-N	-1	3	359.470	2.460	20	30		FEEDHM
N#Cc1ccc(OC2CCC(NC(=O)c3ccc4n[n-]nc4c3)CC2)nc1	ZINC000121118542	326315041	/nfs/dbraw/zinc/31/50/41/326315041.db2.gz	KUFIGFXKWDFOQO-UHFFFAOYSA-N	-1	3	362.393	2.345	20	30		FEEDHM
COc1cc(C#N)ccc1CN1CCN(C(=O)c2ccccc2[O-])CC1	ZINC000121438040	326338774	/nfs/dbraw/zinc/33/87/74/326338774.db2.gz	OWPZNILJBFMDBI-UHFFFAOYSA-N	-1	3	351.406	2.230	20	30		FEEDHM
CC(C)[C@@H]1OCCC[C@@H]1C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000125507979	326473017	/nfs/dbraw/zinc/47/30/17/326473017.db2.gz	NPWMAXRYOODNLA-WBMJQRKESA-N	-1	3	367.427	2.196	20	30		FEEDHM
CSc1[n-]c(=O)c(C(=O)N2CCN(C3CCCCC3)CC2)cc1C#N	ZINC000151273484	326678566	/nfs/dbraw/zinc/67/85/66/326678566.db2.gz	LSKUKJNIGZLKHA-UHFFFAOYSA-N	-1	3	360.483	2.059	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)[C@H]1CCCc2c1cnn2C	ZINC000154548625	326762960	/nfs/dbraw/zinc/76/29/60/326762960.db2.gz	HDMRCRDPWICEJH-KRWDZBQOSA-N	-1	3	367.453	2.066	20	30		FEEDHM
CC(C)(C)n1cc(C#N)c([N-]C(=O)c2cc(S(C)(=O)=O)cs2)n1	ZINC000156257707	326823936	/nfs/dbraw/zinc/82/39/36/326823936.db2.gz	AIWIDSFTMULXJV-UHFFFAOYSA-N	-1	3	352.441	2.227	20	30		FEEDHM
N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CCc1cn2c(n1)CCCC2	ZINC000156380844	326829111	/nfs/dbraw/zinc/82/91/11/326829111.db2.gz	UTQMBAOHKYDWFI-UHFFFAOYSA-N	-1	3	364.858	2.265	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCN(c2cccs2)CC1	ZINC000156575255	326836606	/nfs/dbraw/zinc/83/66/06/326836606.db2.gz	BFPSGAHLPBANAZ-UHFFFAOYSA-N	-1	3	370.478	2.206	20	30		FEEDHM
CCc1nn(Cc2cc(=O)oc3c(C)c([O-])ccc23)c(=O)c(C#N)c1CC	ZINC000264671586	329046777	/nfs/dbraw/zinc/04/67/77/329046777.db2.gz	WWHZTQNALMRELE-UHFFFAOYSA-N	-1	3	365.389	2.409	20	30		FEEDHM
C[C@@H](OC(=O)c1cnn[n-]1)C(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC000805602880	674346990	/nfs/dbraw/zinc/34/69/90/674346990.db2.gz	DEUPNCHNZMBEBB-SECBINFHSA-N	-1	3	359.411	2.191	20	30		FEEDHM
C[C@@H](OC(=O)c1c[n-]nn1)C(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC000805602880	674346993	/nfs/dbraw/zinc/34/69/93/674346993.db2.gz	DEUPNCHNZMBEBB-SECBINFHSA-N	-1	3	359.411	2.191	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)[C@H](O)Cc1ccccc1	ZINC000185327874	518178348	/nfs/dbraw/zinc/17/83/48/518178348.db2.gz	PUAMHYPVSPPNJU-MLGOLLRUSA-N	-1	3	364.854	2.482	20	30		FEEDHM
N#Cc1cc(F)ccc1S(=O)(=O)[N-]Cc1ccccc1Cn1cccn1	ZINC000156288218	545614093	/nfs/dbraw/zinc/61/40/93/545614093.db2.gz	ANTJRWNPUQVINF-UHFFFAOYSA-N	-1	3	370.409	2.421	20	30		FEEDHM
CCOc1ccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1CO	ZINC000156915696	545677024	/nfs/dbraw/zinc/67/70/24/545677024.db2.gz	GRSWYHZKIXRBAT-UHFFFAOYSA-N	-1	3	369.421	2.326	20	30		FEEDHM
Cc1nc([C@H]([N-]S(=O)(=O)c2ccccc2C#N)c2ccccc2)n[nH]1	ZINC000157141004	545706022	/nfs/dbraw/zinc/70/60/22/545706022.db2.gz	TYLOYDJAARJYML-MRXNPFEDSA-N	-1	3	353.407	2.053	20	30		FEEDHM
C=CCN1CCC([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1	ZINC000171536459	546212713	/nfs/dbraw/zinc/21/27/13/546212713.db2.gz	IBYLRGFBILCGJL-UHFFFAOYSA-N	-1	3	359.835	2.177	20	30		FEEDHM
N#CCCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1	ZINC000171713890	546220300	/nfs/dbraw/zinc/22/03/00/546220300.db2.gz	LJZXHTBLFJYYQS-UHFFFAOYSA-N	-1	3	362.205	2.329	20	30		FEEDHM
N#CCCCCS(=O)(=O)[N-][C@@H]1CCCN(c2ccccc2Cl)C1=O	ZINC000173330921	546278048	/nfs/dbraw/zinc/27/80/48/546278048.db2.gz	DDBNOPOFOANWFY-CQSZACIVSA-N	-1	3	369.874	2.449	20	30		FEEDHM
C[C@](O)(C[N-]S(=O)(=O)Cc1cc(C#N)ccc1F)C1CCCCC1	ZINC000480849656	561218165	/nfs/dbraw/zinc/21/81/65/561218165.db2.gz	ZVRRJGWTCVIAEO-KRWDZBQOSA-N	-1	3	354.447	2.448	20	30		FEEDHM
COc1cc(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)ccc1O	ZINC000178575279	546813773	/nfs/dbraw/zinc/81/37/73/546813773.db2.gz	AOCWSGTZRPYOMO-UHFFFAOYSA-N	-1	3	352.799	2.404	20	30		FEEDHM
CC[C@@H](CC#N)NC(=O)Cc1csc(NC(=O)c2cccc([O-])c2)n1	ZINC000183813516	547723878	/nfs/dbraw/zinc/72/38/78/547723878.db2.gz	JQALVFJWYJYKFQ-LBPRGKRZSA-N	-1	3	358.423	2.452	20	30		FEEDHM
N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1	ZINC000185500155	547994009	/nfs/dbraw/zinc/99/40/09/547994009.db2.gz	HWXHQOJZYWXMAO-GLQYFDAESA-N	-1	3	352.843	2.448	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)NCC(C)(C)CCOC)ccc1F	ZINC000185842409	548043205	/nfs/dbraw/zinc/04/32/05/548043205.db2.gz	NPVWTTNBUDGQMZ-UHFFFAOYSA-N	-1	3	372.462	2.083	20	30		FEEDHM
C[C@@H](CN1CCCCCC1)[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000186765854	548188770	/nfs/dbraw/zinc/18/87/70/548188770.db2.gz	SKCZUUOCDFCLHW-LBPRGKRZSA-N	-1	3	357.426	2.379	20	30		FEEDHM
CC(C)c1nnc(CC[N-]S(=O)(=O)c2ccc(F)cc2C#N)s1	ZINC000490445016	561433368	/nfs/dbraw/zinc/43/33/68/561433368.db2.gz	NCPSXXRFBYMNBG-UHFFFAOYSA-N	-1	3	354.432	2.193	20	30		FEEDHM
C=CCCOCCNC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1	ZINC000270165453	550253159	/nfs/dbraw/zinc/25/31/59/550253159.db2.gz	VEXGTSYLRUEQTN-UHFFFAOYSA-N	-1	3	371.459	2.171	20	30		FEEDHM
CCc1nc([C@@H](C)[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)n[nH]1	ZINC000270597455	550287636	/nfs/dbraw/zinc/28/76/36/550287636.db2.gz	UXKCOPRPESIOGJ-MRVPVSSYSA-N	-1	3	373.360	2.297	20	30		FEEDHM
CC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)[C@H](O)C(F)(F)F	ZINC000270884530	550317591	/nfs/dbraw/zinc/31/75/91/550317591.db2.gz	WLYSWWZNCAJQBY-MNOVXSKESA-N	-1	3	356.753	2.192	20	30		FEEDHM
CC(C)CC(=O)NCCc1ccc(S(=O)(=O)[N-]CCCCC#N)s1	ZINC000271179019	550349028	/nfs/dbraw/zinc/34/90/28/550349028.db2.gz	CAUYQRLNBLWQCG-UHFFFAOYSA-N	-1	3	371.528	2.425	20	30		FEEDHM
C=CCN(CCc1ccco1)C(=O)CC[N-]S(=O)(=O)c1cccs1	ZINC000272566324	550458049	/nfs/dbraw/zinc/45/80/49/550458049.db2.gz	UXEBLGVUGOVDEJ-UHFFFAOYSA-N	-1	3	368.480	2.267	20	30		FEEDHM
C=CCS(=O)(=O)CC[N-]S(=O)(=O)Cc1c(Cl)cccc1Cl	ZINC000272884848	550475069	/nfs/dbraw/zinc/47/50/69/550475069.db2.gz	WJSVJKHPNYTYHO-UHFFFAOYSA-N	-1	3	372.295	2.014	20	30		FEEDHM
N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2COC3(CCCC3)O2)c1	ZINC000274765307	550553103	/nfs/dbraw/zinc/55/31/03/550553103.db2.gz	OJKCWDCVFLWHHS-LBPRGKRZSA-N	-1	3	356.831	2.176	20	30		FEEDHM
CC1(C)CCCN(C(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)[C@@H]1C#N	ZINC000277623074	550693231	/nfs/dbraw/zinc/69/32/31/550693231.db2.gz	WKKPVUFNIZOOEH-CQSZACIVSA-N	-1	3	353.419	2.352	20	30		FEEDHM
Cc1cc(C#N)ccc1S(=O)(=O)[N-][C@H](c1cnn(C)c1)C(F)(F)F	ZINC000278622525	550805362	/nfs/dbraw/zinc/80/53/62/550805362.db2.gz	GBOJCHRZEOJUHJ-CYBMUJFWSA-N	-1	3	358.345	2.182	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-][C@@H](CO)CC2CCC2)c(C(F)(F)F)c1	ZINC000280330492	550981619	/nfs/dbraw/zinc/98/16/19/550981619.db2.gz	UTIGKPPVLSLHOM-GFCCVEGCSA-N	-1	3	362.373	2.406	20	30		FEEDHM
CC(C)(O)C(C)(C)[N-]S(=O)(=O)c1cccc(Br)c1C#N	ZINC000283491299	551375545	/nfs/dbraw/zinc/37/55/45/551375545.db2.gz	IOUPRWBDIDUCQL-UHFFFAOYSA-N	-1	3	361.261	2.149	20	30		FEEDHM
N#Cc1nc(NC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)[n-]c1C#N	ZINC000287686987	552034469	/nfs/dbraw/zinc/03/44/69/552034469.db2.gz	SYKSHQMIVOIINA-ZDUSSCGKSA-N	-1	3	370.363	2.249	20	30		FEEDHM
COc1ccc(Br)cc1S(=O)(=O)[N-][C@]1(C#N)CC1(C)C	ZINC000291020764	552577110	/nfs/dbraw/zinc/57/71/10/552577110.db2.gz	XMBZTLMLJXMXPV-ZDUSSCGKSA-N	-1	3	359.245	2.428	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc2c(c1)CNCCO2	ZINC000291123637	552589936	/nfs/dbraw/zinc/58/99/36/552589936.db2.gz	VIFRNZRSDIWATE-UHFFFAOYSA-N	-1	3	366.421	2.329	20	30		FEEDHM
C=CCN(CCC#N)C(=O)C(=O)[N-]c1scc(C2CC2)c1C(=O)OC	ZINC000293068466	552785662	/nfs/dbraw/zinc/78/56/62/552785662.db2.gz	BWPLAOIMJSYUEV-UHFFFAOYSA-N	-1	3	361.423	2.279	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)C[C@@H](O)Cc1ccccc1	ZINC000293601558	552839263	/nfs/dbraw/zinc/83/92/63/552839263.db2.gz	GZMGSSYYTUMOCL-KRWDZBQOSA-N	-1	3	367.449	2.270	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@H](CO)c2ccccc21	ZINC000293884793	552865011	/nfs/dbraw/zinc/86/50/11/552865011.db2.gz	KAKVZOFEJUJFAT-CQSZACIVSA-N	-1	3	351.406	2.331	20	30		FEEDHM
CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)c2ccc3nncn3c2)C1=O	ZINC000299539478	553578041	/nfs/dbraw/zinc/57/80/41/553578041.db2.gz	OEZCTYKHAVYJNZ-SFHVURJKSA-N	-1	3	372.429	2.045	20	30		FEEDHM
N#Cc1ccc([N+](=O)[O-])c(N2CCN(C(=O)c3cccc([O-])c3)CC2)c1	ZINC000302210931	553710708	/nfs/dbraw/zinc/71/07/08/553710708.db2.gz	MKEOAHZZQQOWGP-UHFFFAOYSA-N	-1	3	352.350	2.134	20	30		FEEDHM
N#Cc1ccc([N+](=O)[O-])c(N2CCN(C(=O)c3ccc([O-])cc3)CC2)c1	ZINC000302221130	553711893	/nfs/dbraw/zinc/71/18/93/553711893.db2.gz	SBLZEOVDZUPCHI-UHFFFAOYSA-N	-1	3	352.350	2.134	20	30		FEEDHM
N#Cc1cc(N2CCN(C(=O)c3ccc([O-])cc3)CC2)ccc1[N+](=O)[O-]	ZINC000302629406	553723639	/nfs/dbraw/zinc/72/36/39/553723639.db2.gz	IUSWJSIMGLHYGK-UHFFFAOYSA-N	-1	3	352.350	2.134	20	30		FEEDHM
CCN(CC)[C@@H](C[N-]S(=O)(=O)c1cccnc1C#N)c1ccccc1	ZINC000328020495	553793059	/nfs/dbraw/zinc/79/30/59/553793059.db2.gz	TXUMLMFYBLXHJL-KRWDZBQOSA-N	-1	3	358.467	2.315	20	30		FEEDHM
C[C@H](C(=O)Nc1nc2ccccc2s1)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1	ZINC000328929244	553846784	/nfs/dbraw/zinc/84/67/84/553846784.db2.gz	YKAZDRXWTDINQT-KOLCDFICSA-N	-1	3	359.411	2.349	20	30		FEEDHM
CC(=O)Nc1ncc(S(=O)(=O)[N-][C@@H]2CCN(C3CCCC3)C2)s1	ZINC000329279006	553916619	/nfs/dbraw/zinc/91/66/19/553916619.db2.gz	MHWBQEQSYBOPPP-LLVKDONJSA-N	-1	3	358.489	2.046	20	30		FEEDHM
Cc1cc([N-]C(=O)[C@H](C)N2CCN(c3ccc(C#N)cc3F)CC2)on1	ZINC000507193734	561720689	/nfs/dbraw/zinc/72/06/89/561720689.db2.gz	DYGZECKNYSKAMC-ZDUSSCGKSA-N	-1	3	357.389	2.143	20	30		FEEDHM
COc1ccc2c(c1)OC[C@H]([N-]S(=O)(=O)CC1(C#N)CCCCC1)C2	ZINC000330008968	554048587	/nfs/dbraw/zinc/04/85/87/554048587.db2.gz	FVWBDEGTMZXOSS-OAHLLOKOSA-N	-1	3	364.467	2.392	20	30		FEEDHM
CSc1cc2c(cc1[N-]C(=O)c1cn([C@@H]3CCOC3)nn1)OCCO2	ZINC000330057164	554056649	/nfs/dbraw/zinc/05/66/49/554056649.db2.gz	XACSEKQLLUXTCX-SNVBAGLBSA-N	-1	3	362.411	2.369	20	30		FEEDHM
CCN(CC)C(=O)C1(NC(=O)c2cc(=O)[n-]c(N(C)C)n2)CCCCC1	ZINC000330917353	554188037	/nfs/dbraw/zinc/18/80/37/554188037.db2.gz	LUHDXKURUALNKK-UHFFFAOYSA-N	-1	3	363.462	2.124	20	30		FEEDHM
Cc1ccc([C@H]2OCCC[C@@H]2[N-]S(=O)(=O)c2cccnc2C#N)cc1	ZINC000331447256	554266229	/nfs/dbraw/zinc/26/62/29/554266229.db2.gz	SZSXKHOLTKZNNZ-MAUKXSAKSA-N	-1	3	357.435	2.460	20	30		FEEDHM
COC(=O)[C@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1cccs1	ZINC000509158499	561787699	/nfs/dbraw/zinc/78/76/99/561787699.db2.gz	ZEGORAKSULTATH-MRXNPFEDSA-N	-1	3	373.434	2.300	20	30		FEEDHM
CCN(C[C@H](C)C#N)C(=O)c1cc(C2CC2)nc2c1c(=O)[n-]c(=O)n2CC	ZINC000509712242	561811240	/nfs/dbraw/zinc/81/12/40/561811240.db2.gz	CXXPRZGJFRGSEO-LLVKDONJSA-N	-1	3	369.425	2.016	20	30		FEEDHM
N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@H]1CC12CCOCC2	ZINC000333141194	554578879	/nfs/dbraw/zinc/57/88/79/554578879.db2.gz	YTOQXDXVUOWVQJ-ZDUSSCGKSA-N	-1	3	371.256	2.168	20	30		FEEDHM
C=CCC(C)(C)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F	ZINC000512541087	561908824	/nfs/dbraw/zinc/90/88/24/561908824.db2.gz	CQPBELWBMARTIL-UHFFFAOYSA-N	-1	3	362.854	2.476	20	30		FEEDHM
Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NCC#Cc1cccc(F)c1	ZINC000513913905	561954241	/nfs/dbraw/zinc/95/42/41/561954241.db2.gz	WXZSDDPKZYQNQT-UHFFFAOYSA-N	-1	3	364.380	2.472	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCC3(CC3)CC2)ccc1F	ZINC000366695948	555911361	/nfs/dbraw/zinc/91/13/61/555911361.db2.gz	ZTKIJCWSWQTGCL-UHFFFAOYSA-N	-1	3	352.431	2.306	20	30		FEEDHM
N#Cc1ccc(CS(=O)(=O)[N-][C@@H]2CCCN(c3ccccc3)C2=O)cc1	ZINC000367956916	556182348	/nfs/dbraw/zinc/18/23/48/556182348.db2.gz	HOWJHELRYDZCIO-GOSISDBHSA-N	-1	3	369.446	2.173	20	30		FEEDHM
COC(=O)c1scc(C)c1S(=O)(=O)[N-]CCc1cccc(C#N)c1	ZINC000517001493	562070170	/nfs/dbraw/zinc/07/01/70/562070170.db2.gz	FOYDTMNMQOHNEN-UHFFFAOYSA-N	-1	3	364.448	2.236	20	30		FEEDHM
Cc1nnc([C@@H]([N-]S(=O)(=O)c2ccccc2C#N)c2ccccc2)n1C	ZINC000372164225	557397144	/nfs/dbraw/zinc/39/71/44/557397144.db2.gz	TXKSMXFVOVGCEA-KRWDZBQOSA-N	-1	3	367.434	2.063	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-]Cc1ccc(-c2ccncc2)cc1	ZINC000372989168	557604786	/nfs/dbraw/zinc/60/47/86/557604786.db2.gz	HFEAHMCTYXNXFD-UHFFFAOYSA-N	-1	3	350.403	2.494	20	30		FEEDHM
Cc1nc(C)c(CCC(=O)N2CCC[C@@]3(CCCCO3)[C@H]2C#N)c(=O)[n-]1	ZINC000373369338	557680945	/nfs/dbraw/zinc/68/09/45/557680945.db2.gz	NKEFLPCYTIVRJE-APWZRJJASA-N	-1	3	358.442	2.186	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1cnc2n1CCCC2	ZINC000375386383	558019166	/nfs/dbraw/zinc/01/91/66/558019166.db2.gz	HIUOHJASSKPFHT-UHFFFAOYSA-N	-1	3	353.426	2.058	20	30		FEEDHM
C#CCCCS(=O)(=O)[N-][C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O	ZINC000376314051	558156800	/nfs/dbraw/zinc/15/68/00/558156800.db2.gz	MPBDSWNLPQIORU-CYBMUJFWSA-N	-1	3	374.384	2.144	20	30		FEEDHM
N#Cc1ccc(C2=CCN(C(=O)c3ccc4c(c3)C(=O)[N-]C4=O)CC2)cc1	ZINC000378356648	558537815	/nfs/dbraw/zinc/53/78/15/558537815.db2.gz	VYRVJPSSGSCNHN-UHFFFAOYSA-N	-1	3	357.369	2.371	20	30		FEEDHM
CN(Cc1ccccc1)CC(C)(C)[N-]S(=O)(=O)c1cccnc1C#N	ZINC000379707631	558602298	/nfs/dbraw/zinc/60/22/98/558602298.db2.gz	TZPJZPBDWAWHGJ-UHFFFAOYSA-N	-1	3	358.467	2.142	20	30		FEEDHM
COC(=O)[C@@]1(C)CCCN(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C1	ZINC000412917714	559064237	/nfs/dbraw/zinc/06/42/37/559064237.db2.gz	VDLAZDOKLXAKSK-IBGZPJMESA-N	-1	3	359.426	2.010	20	30		FEEDHM
CC(C)[C@H](C#N)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000414462868	559165832	/nfs/dbraw/zinc/16/58/32/559165832.db2.gz	ZJDUDIGCHSBWOZ-VIFPVBQESA-N	-1	3	351.306	2.440	20	30		FEEDHM
CS(=O)(=O)[N-]c1cncc(C(=O)N[C@H]2CCCc3cc(C#N)ccc32)c1	ZINC000416338803	559306455	/nfs/dbraw/zinc/30/64/55/559306455.db2.gz	FCDQYASKNJDNDB-KRWDZBQOSA-N	-1	3	370.434	2.132	20	30		FEEDHM
C[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2C#N)CCO1	ZINC000416454930	559314164	/nfs/dbraw/zinc/31/41/64/559314164.db2.gz	TZDXQXLSPXMACS-JOYOIKCWSA-N	-1	3	359.245	2.167	20	30		FEEDHM
CCOC(=O)c1cc(F)c(OC)c(S(=O)(=O)[N-]CC(C)(C)CC#N)c1	ZINC000416529219	559319957	/nfs/dbraw/zinc/31/99/57/559319957.db2.gz	JPVCWQXVWCDBCQ-UHFFFAOYSA-N	-1	3	372.418	2.229	20	30		FEEDHM
C[C@H]1C[C@H]([N-]S(=O)(=O)c2cccc(Br)c2C#N)CS1	ZINC000416602817	559324567	/nfs/dbraw/zinc/32/45/67/559324567.db2.gz	XHVFXPWJRHQLQH-IUCAKERBSA-N	-1	3	361.286	2.493	20	30		FEEDHM
N#Cc1cc(F)ccc1S(=O)(=O)[N-]CC(=O)C1CCC(F)(F)CC1	ZINC000425195329	559690498	/nfs/dbraw/zinc/69/04/98/559690498.db2.gz	QPUFSQIAGMJBAS-UHFFFAOYSA-N	-1	3	360.357	2.370	20	30		FEEDHM
Cn1c2cc([O-])c(NC(=O)[C@@H](C#N)CCc3ccccc3)cc2n(C)c1=O	ZINC000427872885	559764442	/nfs/dbraw/zinc/76/44/42/559764442.db2.gz	DMNPLTSFKNOJJU-CQSZACIVSA-N	-1	3	364.405	2.294	20	30		FEEDHM
C=C[C@@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1	ZINC000428036849	559768059	/nfs/dbraw/zinc/76/80/59/559768059.db2.gz	IKFVMOAQAKHWRK-QGZVFWFLSA-N	-1	3	371.462	2.485	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-][C@@H]1CCCN(c2cccc(F)c2)C1	ZINC000428269427	559772626	/nfs/dbraw/zinc/77/26/26/559772626.db2.gz	JLQLXRPRGXCBFT-CQSZACIVSA-N	-1	3	360.414	2.040	20	30		FEEDHM
COc1ccc2c(c1)CCC[C@H]2C[N-]S(=O)(=O)c1cccnc1C#N	ZINC000428387486	559774458	/nfs/dbraw/zinc/77/44/58/559774458.db2.gz	GLHLEMZTJQGZCI-AWEZNQCLSA-N	-1	3	357.435	2.360	20	30		FEEDHM
CCS(=O)(=O)[N-]c1ccc(NC(=O)NCC2(CC#N)CC2)cc1OC	ZINC000429803063	559806011	/nfs/dbraw/zinc/80/60/11/559806011.db2.gz	PQPOSZBETIUSAQ-UHFFFAOYSA-N	-1	3	366.443	2.272	20	30		FEEDHM
CCC[C@@H](C)C(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1C#N	ZINC000431634561	559842952	/nfs/dbraw/zinc/84/29/52/559842952.db2.gz	HGHLEJGZBZSHHL-LLVKDONJSA-N	-1	3	357.863	2.042	20	30		FEEDHM
C[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)s1)N1CCc2ccccc2C1	ZINC000435434064	559922814	/nfs/dbraw/zinc/92/28/14/559922814.db2.gz	QIJRNGIWPLAZNC-ZDUSSCGKSA-N	-1	3	361.492	2.345	20	30		FEEDHM
C=C(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cc(F)cc(C(=O)OCC)c1	ZINC000435587396	559925556	/nfs/dbraw/zinc/92/55/56/559925556.db2.gz	CNHAQGWLYWWNMF-WBMJQRKESA-N	-1	3	371.430	2.262	20	30		FEEDHM
C=CCCOCCCCC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1	ZINC000436661770	559947984	/nfs/dbraw/zinc/94/79/84/559947984.db2.gz	HAUQSWUREDZZDH-UHFFFAOYSA-N	-1	3	360.454	2.440	20	30		FEEDHM
C=CCC[C@@H](NC(=O)CN1CC(=O)[N-]C1=O)c1ccc(C(F)(F)F)cc1	ZINC000441550504	560035574	/nfs/dbraw/zinc/03/55/74/560035574.db2.gz	LQQAONJIEJJTMA-CYBMUJFWSA-N	-1	3	369.343	2.381	20	30		FEEDHM
CCOC(=O)[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)[C@@H](C)CC	ZINC000443305095	560078656	/nfs/dbraw/zinc/07/86/56/560078656.db2.gz	CHNVFUFLBTYZQP-HZMBPMFUSA-N	-1	3	358.847	2.468	20	30		FEEDHM
C=CCCS(=O)(=O)[N-][C@H]1CCN(c2cccc(Br)c2)C1=O	ZINC000447856076	560171284	/nfs/dbraw/zinc/17/12/84/560171284.db2.gz	XPBNXKZPPCNQLO-ZDUSSCGKSA-N	-1	3	373.272	2.050	20	30		FEEDHM
CCOC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)CC(C)(C)CC#N	ZINC000451105170	560287397	/nfs/dbraw/zinc/28/73/97/560287397.db2.gz	SZDDNNPSYJQNPV-HNNXBMFYSA-N	-1	3	352.456	2.020	20	30		FEEDHM
Cc1ccnc([C@@H]([N-]S(=O)(=O)Cc2ccc(F)cc2C#N)C2CC2)n1	ZINC000451363595	560302842	/nfs/dbraw/zinc/30/28/42/560302842.db2.gz	BMUMONLROOTEBC-INIZCTEOSA-N	-1	3	360.414	2.367	20	30		FEEDHM
CC[C@@H](COCC(F)(F)F)[N-]S(=O)(=O)c1ccc(F)cc1C#N	ZINC000451654501	560319844	/nfs/dbraw/zinc/31/98/44/560319844.db2.gz	OMRRLYGYZKYYGI-NSHDSACASA-N	-1	3	354.325	2.333	20	30		FEEDHM
CC[C@@H](O)[C@@H](CC)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000451977295	560341707	/nfs/dbraw/zinc/34/17/07/560341707.db2.gz	NYFMGDSUCGECLY-VXGBXAGGSA-N	-1	3	350.362	2.405	20	30		FEEDHM
C=CCC[C@@H]([N-]S(=O)(=O)c1cnccc1C(F)(F)F)C(=O)OCC	ZINC000451982804	560342237	/nfs/dbraw/zinc/34/22/37/560342237.db2.gz	BWROWTFHRXFHCM-LLVKDONJSA-N	-1	3	366.361	2.277	20	30		FEEDHM
C=CCC[C@@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C(=O)OCC	ZINC000452000513	560344241	/nfs/dbraw/zinc/34/42/41/560344241.db2.gz	VHSBVLHVQSGIOC-CYBMUJFWSA-N	-1	3	356.831	2.388	20	30		FEEDHM
CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]Cc1ccc(C#N)c(F)c1	ZINC000452049559	560348109	/nfs/dbraw/zinc/34/81/09/560348109.db2.gz	SWPBUNLQNCKQAO-UHFFFAOYSA-N	-1	3	366.370	2.118	20	30		FEEDHM
N#Cc1cccc([N+](=O)[O-])c1CN1CCN(C(=O)c2ccc([O-])cc2)CC1	ZINC000459348746	560681460	/nfs/dbraw/zinc/68/14/60/560681460.db2.gz	MXUSINJQAOESOV-UHFFFAOYSA-N	-1	3	366.377	2.130	20	30		FEEDHM
COC(=O)[C@@H](C[C@@H]1CCCc2ccccc21)[N-]S(=O)(=O)CCCC#N	ZINC000460922583	560755849	/nfs/dbraw/zinc/75/58/49/560755849.db2.gz	BMHVMEGSPASRCB-DOTOQJQBSA-N	-1	3	364.467	2.261	20	30		FEEDHM
CC(=O)Nc1ccc([O-])c(C(=O)N2CC(Oc3ccc(C#N)cc3)C2)c1	ZINC000461743201	560781247	/nfs/dbraw/zinc/78/12/47/560781247.db2.gz	SKUVPVCWMYXPOB-UHFFFAOYSA-N	-1	3	351.362	2.126	20	30		FEEDHM
C[C@H](C(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1)c1cccc(C#N)c1	ZINC000462032444	560793303	/nfs/dbraw/zinc/79/33/03/560793303.db2.gz	QMVATBLCQMGVRD-HNNXBMFYSA-N	-1	3	363.417	2.352	20	30		FEEDHM
N#CC(=C([O-])c1cccc(OCC(N)=O)c1)c1cc(C(F)(F)F)ccn1	ZINC000464411905	560841006	/nfs/dbraw/zinc/84/10/06/560841006.db2.gz	OSHGJBJGZVSSQG-CYBMUJFWSA-N	-1	3	363.295	2.455	20	30		FEEDHM
N#Cc1ccc(NC(=O)CCn2[n-]c(=O)c3ccccc3c2=O)cc1F	ZINC000464644987	560847496	/nfs/dbraw/zinc/84/74/96/560847496.db2.gz	UPQKNLHYPWOORT-UHFFFAOYSA-N	-1	3	352.325	2.142	20	30		FEEDHM
COCCN(Cc1cncs1)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C	ZINC000468570328	560933157	/nfs/dbraw/zinc/93/31/57/560933157.db2.gz	QCMVPTDSPWZXKM-UHFFFAOYSA-N	-1	3	374.466	2.340	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]Cc2noc(C(F)(F)F)n2)c(Cl)c1	ZINC000470244331	560977461	/nfs/dbraw/zinc/97/74/61/560977461.db2.gz	XOCGPWVDFQGCCN-UHFFFAOYSA-N	-1	3	366.708	2.092	20	30		FEEDHM
CS(=O)(=O)[N-]c1cc(C(=O)NC2(C#N)CCC2)cc(C(F)(F)F)c1	ZINC000471881595	561013596	/nfs/dbraw/zinc/01/35/96/561013596.db2.gz	FEUYKVJXXFQTMD-UHFFFAOYSA-N	-1	3	361.345	2.253	20	30		FEEDHM
N#Cc1cnc2ccccc2c1N1CCN(C(=O)c2csc(=O)[n-]2)CC1	ZINC000471954760	561014994	/nfs/dbraw/zinc/01/49/94/561014994.db2.gz	PVSIBDKOZFCBQL-UHFFFAOYSA-N	-1	3	365.418	2.231	20	30		FEEDHM
C=CCCCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1	ZINC000474681572	561080266	/nfs/dbraw/zinc/08/02/66/561080266.db2.gz	ZYSNMLPBOXDTEY-UHFFFAOYSA-N	-1	3	359.451	2.390	20	30		FEEDHM
C[C@@H]1CCN(Cc2ccccc2)C[C@H]1[N-]S(=O)(=O)c1cccnc1C#N	ZINC000528529172	562334220	/nfs/dbraw/zinc/33/42/20/562334220.db2.gz	GWVXGMOPCWXANE-CRAIPNDOSA-N	-1	3	370.478	2.142	20	30		FEEDHM
CC(C)(C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C(=O)N1CCCC1	ZINC000528559742	562336322	/nfs/dbraw/zinc/33/63/22/562336322.db2.gz	BBMACSYISJKSAN-UHFFFAOYSA-N	-1	3	369.874	2.139	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1CCN1C1CCCC1	ZINC000530026627	562395027	/nfs/dbraw/zinc/39/50/27/562395027.db2.gz	MMHQIQMPCRNAQG-INIZCTEOSA-N	-1	3	356.470	2.341	20	30		FEEDHM
COC(=O)CCC1CCN(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)CC1	ZINC000530759982	562423101	/nfs/dbraw/zinc/42/31/01/562423101.db2.gz	CKQLPEFZZHVMJS-UHFFFAOYSA-N	-1	3	373.453	2.400	20	30		FEEDHM
N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C[C@@H](CO)Cc1ccccc1	ZINC000534409030	562533591	/nfs/dbraw/zinc/53/35/91/562533591.db2.gz	KKCRMABYVLVDIL-AWEZNQCLSA-N	-1	3	364.854	2.341	20	30		FEEDHM
C[C@@]1(c2ccc(-c3noc(Cc4ccc(C#N)cc4)n3)cc2)NC(=O)[N-]C1=O	ZINC000545532090	562628613	/nfs/dbraw/zinc/62/86/13/562628613.db2.gz	JKTJSQBOAMGITJ-FQEVSTJZSA-N	-1	3	373.372	2.254	20	30		FEEDHM
N#CCCCCS(=O)(=O)[N-][C@H](Cc1ccccc1)[C@H](O)C(F)(F)F	ZINC000603424828	568096384	/nfs/dbraw/zinc/09/63/84/568096384.db2.gz	QJIRMHBRVLNMIA-KGLIPLIRSA-N	-1	3	364.389	2.134	20	30		FEEDHM
COC(=O)[C@H](CC1CCCCC1)[N-]S(=O)(=O)Cc1ccc(C#N)cc1	ZINC000584676940	568186000	/nfs/dbraw/zinc/18/60/00/568186000.db2.gz	DUOKEZGEKXBVBD-KRWDZBQOSA-N	-1	3	364.467	2.490	20	30		FEEDHM
COC[C@H]([N-]S(=O)(=O)c1cncc(C#N)c1)c1cccc(Cl)c1	ZINC000568920064	568252398	/nfs/dbraw/zinc/25/23/98/568252398.db2.gz	POWHJQRWRNRGCF-HNNXBMFYSA-N	-1	3	351.815	2.273	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nnc2[n-][nH+]c(C)c(C)c1-2	ZINC000609488814	568441955	/nfs/dbraw/zinc/44/19/55/568441955.db2.gz	NQNDRBHLFSEQNU-UHFFFAOYSA-N	-1	3	365.397	2.130	20	30		FEEDHM
C[C@@]1(C[N-]S(=O)(=O)c2cccc(Br)c2C#N)CCOC1	ZINC000570649259	568493514	/nfs/dbraw/zinc/49/35/14/568493514.db2.gz	MYYBOUNWPRWLAJ-ZDUSSCGKSA-N	-1	3	359.245	2.026	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)CN1C[C@@H](C(C)C)CC1=O	ZINC000735426195	598828022	/nfs/dbraw/zinc/82/80/22/598828022.db2.gz	LOYPMUKKVDUOTM-KRWDZBQOSA-N	-1	3	354.458	2.317	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)CN1C[C@@H](C(C)C)CC1=O	ZINC000735426195	598828024	/nfs/dbraw/zinc/82/80/24/598828024.db2.gz	LOYPMUKKVDUOTM-KRWDZBQOSA-N	-1	3	354.458	2.317	20	30		FEEDHM
COC(=O)[C@@H](N[C@H](C)c1ccc(C#N)cc1)c1ccc(-c2nnn[n-]2)cc1	ZINC000736896912	598880140	/nfs/dbraw/zinc/88/01/40/598880140.db2.gz	PCNCBOKXFKKFEP-PXAZEXFGSA-N	-1	3	362.393	2.303	20	30		FEEDHM
COC(=O)[C@@H](N[C@H](C)c1ccc(C#N)cc1)c1ccc(-c2nn[n-]n2)cc1	ZINC000736896912	598880141	/nfs/dbraw/zinc/88/01/41/598880141.db2.gz	PCNCBOKXFKKFEP-PXAZEXFGSA-N	-1	3	362.393	2.303	20	30		FEEDHM
C#CC(C)(C)NC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1	ZINC000735374915	598910767	/nfs/dbraw/zinc/91/07/67/598910767.db2.gz	FRIBJPUCSLVRBO-UHFFFAOYSA-N	-1	3	351.366	2.180	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2cnc(-c3ccccc3)nc2)cc1-c1nnn[n-]1	ZINC000737720159	598923544	/nfs/dbraw/zinc/92/35/44/598923544.db2.gz	YZNPZUNCYYEHAG-UHFFFAOYSA-N	-1	3	368.360	2.448	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2cnc(-c3ccccc3)nc2)cc1-c1nn[n-]n1	ZINC000737720159	598923546	/nfs/dbraw/zinc/92/35/46/598923546.db2.gz	YZNPZUNCYYEHAG-UHFFFAOYSA-N	-1	3	368.360	2.448	20	30		FEEDHM
COc1cccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c1OC	ZINC000737122077	598926139	/nfs/dbraw/zinc/92/61/39/598926139.db2.gz	QUULIGQMCMDJKW-UHFFFAOYSA-N	-1	3	350.338	2.008	20	30		FEEDHM
COc1cccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c1OC	ZINC000737122077	598926140	/nfs/dbraw/zinc/92/61/40/598926140.db2.gz	QUULIGQMCMDJKW-UHFFFAOYSA-N	-1	3	350.338	2.008	20	30		FEEDHM
COc1cc(-c2nnn[n-]2)ccc1OCCON=Cc1ccccc1F	ZINC000737031578	598977709	/nfs/dbraw/zinc/97/77/09/598977709.db2.gz	ALDFGSYOQLLURP-UHFFFAOYSA-N	-1	3	357.345	2.444	20	30		FEEDHM
COc1cc(-c2nn[n-]n2)ccc1OCCON=Cc1ccccc1F	ZINC000737031578	598977710	/nfs/dbraw/zinc/97/77/10/598977710.db2.gz	ALDFGSYOQLLURP-UHFFFAOYSA-N	-1	3	357.345	2.444	20	30		FEEDHM
Cc1cc(C#N)ccc1S(=O)(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1	ZINC000737231317	598999766	/nfs/dbraw/zinc/99/97/66/598999766.db2.gz	NRIXEBRFDNENSF-GFCCVEGCSA-N	-1	3	368.422	2.086	20	30		FEEDHM
Cc1cc(C#N)ccc1S(=O)(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1	ZINC000737231317	598999768	/nfs/dbraw/zinc/99/97/68/598999768.db2.gz	NRIXEBRFDNENSF-GFCCVEGCSA-N	-1	3	368.422	2.086	20	30		FEEDHM
C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)c1sccc1C#N	ZINC000736039412	599027704	/nfs/dbraw/zinc/02/77/04/599027704.db2.gz	JAPJGOHPWLIOQX-SNVBAGLBSA-N	-1	3	355.379	2.424	20	30		FEEDHM
C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)c1sccc1C#N	ZINC000736039412	599027706	/nfs/dbraw/zinc/02/77/06/599027706.db2.gz	JAPJGOHPWLIOQX-SNVBAGLBSA-N	-1	3	355.379	2.424	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCc1cc(CC)no1	ZINC000735420771	599060045	/nfs/dbraw/zinc/06/00/45/599060045.db2.gz	UAOSBAHPEQAABQ-UHFFFAOYSA-N	-1	3	367.413	2.315	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCc1cc(CC)no1	ZINC000735420771	599060048	/nfs/dbraw/zinc/06/00/48/599060048.db2.gz	UAOSBAHPEQAABQ-UHFFFAOYSA-N	-1	3	367.413	2.315	20	30		FEEDHM
Cc1cc(C)n([C@H](C)CC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)n1	ZINC000737257825	599191873	/nfs/dbraw/zinc/19/18/73/599191873.db2.gz	VNATZIULLQPQPG-GFCCVEGCSA-N	-1	3	350.386	2.142	20	30		FEEDHM
Cc1cc(C)n([C@H](C)CC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)n1	ZINC000737257825	599191875	/nfs/dbraw/zinc/19/18/75/599191875.db2.gz	VNATZIULLQPQPG-GFCCVEGCSA-N	-1	3	350.386	2.142	20	30		FEEDHM
Cc1noc2nc(C)cc(C(=O)Nc3ccc(-c4nnn[n-]4)c(C#N)c3)c12	ZINC000737236365	599192008	/nfs/dbraw/zinc/19/20/08/599192008.db2.gz	JHHUCTNNXBXNBR-UHFFFAOYSA-N	-1	3	360.337	2.144	20	30		FEEDHM
Cc1noc2nc(C)cc(C(=O)Nc3ccc(-c4nn[n-]n4)c(C#N)c3)c12	ZINC000737236365	599192011	/nfs/dbraw/zinc/19/20/11/599192011.db2.gz	JHHUCTNNXBXNBR-UHFFFAOYSA-N	-1	3	360.337	2.144	20	30		FEEDHM
N#CCc1ccc(NC(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)cc1	ZINC000822814912	599253106	/nfs/dbraw/zinc/25/31/06/599253106.db2.gz	LGPHJBKCUMSBFM-UHFFFAOYSA-N	-1	3	363.381	2.133	20	30		FEEDHM
C=C(C)COc1cccc(NC[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)c1	ZINC000819722767	607315469	/nfs/dbraw/zinc/31/54/69/607315469.db2.gz	QMESSTYSYDBRNJ-ZDUSSCGKSA-N	-1	3	366.429	2.172	20	30		FEEDHM
C=C(C)COc1cccc(NC[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)c1	ZINC000819722767	607315470	/nfs/dbraw/zinc/31/54/70/607315470.db2.gz	QMESSTYSYDBRNJ-ZDUSSCGKSA-N	-1	3	366.429	2.172	20	30		FEEDHM
C#CCOc1ccc(F)cc1NC(=O)NCc1cccc(-c2nnn[n-]2)c1	ZINC000819709637	599282672	/nfs/dbraw/zinc/28/26/72/599282672.db2.gz	NHVLJTMUFWZYEF-UHFFFAOYSA-N	-1	3	366.356	2.340	20	30		FEEDHM
C#CCOc1ccc(F)cc1NC(=O)NCc1cccc(-c2nn[n-]n2)c1	ZINC000819709637	599282673	/nfs/dbraw/zinc/28/26/73/599282673.db2.gz	NHVLJTMUFWZYEF-UHFFFAOYSA-N	-1	3	366.356	2.340	20	30		FEEDHM
CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(C(=O)[O-])cc1	ZINC000820539663	598155485	/nfs/dbraw/zinc/15/54/85/598155485.db2.gz	VGIOSMIVUHLORE-UHFFFAOYSA-N	-1	3	351.406	2.460	20	30		FEEDHM
C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N(C)c1ccc(C#N)cc1F	ZINC000736183551	598309756	/nfs/dbraw/zinc/30/97/56/598309756.db2.gz	UCDVGZKWISYUBP-LLVKDONJSA-N	-1	3	366.356	2.308	20	30		FEEDHM
C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N(C)c1ccc(C#N)cc1F	ZINC000736183551	598309758	/nfs/dbraw/zinc/30/97/58/598309758.db2.gz	UCDVGZKWISYUBP-LLVKDONJSA-N	-1	3	366.356	2.308	20	30		FEEDHM
C#CCOc1ccccc1OC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1	ZINC000735388035	598423640	/nfs/dbraw/zinc/42/36/40/598423640.db2.gz	PSFDKQISXQPAJA-CYBMUJFWSA-N	-1	3	364.361	2.252	20	30		FEEDHM
C#CCOc1ccccc1OC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1	ZINC000735388035	598423642	/nfs/dbraw/zinc/42/36/42/598423642.db2.gz	PSFDKQISXQPAJA-CYBMUJFWSA-N	-1	3	364.361	2.252	20	30		FEEDHM
CC(=NNC(=S)NCc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cc1	ZINC000735450880	598425668	/nfs/dbraw/zinc/42/56/68/598425668.db2.gz	IAQDJWNHHVDKGY-UHFFFAOYSA-N	-1	3	369.429	2.394	20	30		FEEDHM
CC(=NNC(=S)NCc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1	ZINC000735450880	598425671	/nfs/dbraw/zinc/42/56/71/598425671.db2.gz	IAQDJWNHHVDKGY-UHFFFAOYSA-N	-1	3	369.429	2.394	20	30		FEEDHM
Fc1ccc(CNC(=S)NN=Cc2ccc(-c3nnn[n-]3)cc2)cc1	ZINC000737649264	598426344	/nfs/dbraw/zinc/42/63/44/598426344.db2.gz	MUNUMKMGAWLATR-UHFFFAOYSA-N	-1	3	355.402	2.004	20	30		FEEDHM
Fc1ccc(CNC(=S)NN=Cc2ccc(-c3nn[n-]n3)cc2)cc1	ZINC000737649264	598426346	/nfs/dbraw/zinc/42/63/46/598426346.db2.gz	MUNUMKMGAWLATR-UHFFFAOYSA-N	-1	3	355.402	2.004	20	30		FEEDHM
Fc1cc(C=[NH+][N-]c2cccc(-c3nn[n-]n3)c2)ccc1N1CCOCC1	ZINC000737644808	598438900	/nfs/dbraw/zinc/43/89/00/598438900.db2.gz	MPLSDPJHXJNGJH-UHFFFAOYSA-N	-1	3	367.388	2.288	20	30		FEEDHM
C#Cc1cccc(N(CC)S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)c1	ZINC000735390638	598509590	/nfs/dbraw/zinc/50/95/90/598509590.db2.gz	ACDVERXXICUGNS-UHFFFAOYSA-N	-1	3	367.434	2.204	20	30		FEEDHM
C#Cc1cccc(N(CC)S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)c1	ZINC000735390638	598509592	/nfs/dbraw/zinc/50/95/92/598509592.db2.gz	ACDVERXXICUGNS-UHFFFAOYSA-N	-1	3	367.434	2.204	20	30		FEEDHM
Cc1cccc(N(CCC#N)S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c1	ZINC000737395677	598534934	/nfs/dbraw/zinc/53/49/34/598534934.db2.gz	DVVNEUJWOQJNSD-UHFFFAOYSA-N	-1	3	368.422	2.284	20	30		FEEDHM
Cc1cccc(N(CCC#N)S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c1	ZINC000737395677	598534936	/nfs/dbraw/zinc/53/49/36/598534936.db2.gz	DVVNEUJWOQJNSD-UHFFFAOYSA-N	-1	3	368.422	2.284	20	30		FEEDHM
N#Cc1cccc(COC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)c1	ZINC000737730029	598620765	/nfs/dbraw/zinc/62/07/65/598620765.db2.gz	DNLYMDWBDGMGBH-SFHVURJKSA-N	-1	3	374.404	2.451	20	30		FEEDHM
C#Cc1cccc(N(CC)S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)c1	ZINC000735390732	598662783	/nfs/dbraw/zinc/66/27/83/598662783.db2.gz	DIWPGVVAYSFNRP-UHFFFAOYSA-N	-1	3	371.397	2.202	20	30		FEEDHM
C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCc1ccc(F)cc1C#N	ZINC000736167327	598704350	/nfs/dbraw/zinc/70/43/50/598704350.db2.gz	DKRKOKCRLUXTRZ-NSHDSACASA-N	-1	3	367.340	2.388	20	30		FEEDHM
C#Cc1ccc(C(=O)Oc2c(Cl)cc(-c3nnn[n-]3)cc2OC)cn1	ZINC000735389719	598734326	/nfs/dbraw/zinc/73/43/26/598734326.db2.gz	HJZHTIQJFUTYID-UHFFFAOYSA-N	-1	3	355.741	2.124	20	30		FEEDHM
C#Cc1ccc(C(=O)Oc2c(Cl)cc(-c3nn[n-]n3)cc2OC)cn1	ZINC000735389719	598734328	/nfs/dbraw/zinc/73/43/28/598734328.db2.gz	HJZHTIQJFUTYID-UHFFFAOYSA-N	-1	3	355.741	2.124	20	30		FEEDHM
C=CCOc1ccccc1C(=O)OCCNc1ncccc1-c1nnn[n-]1	ZINC000735436085	598736452	/nfs/dbraw/zinc/73/64/52/598736452.db2.gz	FFLTZSATWNNQSQ-UHFFFAOYSA-N	-1	3	366.381	2.095	20	30		FEEDHM
C=CCOc1ccccc1C(=O)OCCNc1ncccc1-c1nn[n-]n1	ZINC000735436085	598736453	/nfs/dbraw/zinc/73/64/53/598736453.db2.gz	FFLTZSATWNNQSQ-UHFFFAOYSA-N	-1	3	366.381	2.095	20	30		FEEDHM
C=CCOc1ccc(OCC(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1	ZINC000819758670	599387905	/nfs/dbraw/zinc/38/79/05/599387905.db2.gz	FHCYPCRBPWCSIP-UHFFFAOYSA-N	-1	3	351.366	2.449	20	30		FEEDHM
C=CCOc1ccc(OCC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1	ZINC000819758670	599387908	/nfs/dbraw/zinc/38/79/08/599387908.db2.gz	FHCYPCRBPWCSIP-UHFFFAOYSA-N	-1	3	351.366	2.449	20	30		FEEDHM
CN(Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)Cc1cccc(C#N)c1	ZINC000821613607	599559617	/nfs/dbraw/zinc/55/96/17/599559617.db2.gz	UUJTZUXFMYWJSZ-UHFFFAOYSA-N	-1	3	372.392	2.420	20	30		FEEDHM
CN(Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)Cc1cccc(C#N)c1	ZINC000821613607	599559620	/nfs/dbraw/zinc/55/96/20/599559620.db2.gz	UUJTZUXFMYWJSZ-UHFFFAOYSA-N	-1	3	372.392	2.420	20	30		FEEDHM
O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1cn(-c2ccccc2)nn1	ZINC000822922263	607460209	/nfs/dbraw/zinc/46/02/09/607460209.db2.gz	FBSFIHSMABHIAJ-CMDGGOBGSA-N	-1	3	361.340	2.483	20	30		FEEDHM
O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1cn(-c2ccccc2)nn1	ZINC000822922263	607460211	/nfs/dbraw/zinc/46/02/11/607460211.db2.gz	FBSFIHSMABHIAJ-CMDGGOBGSA-N	-1	3	361.340	2.483	20	30		FEEDHM
O=[N+]([O-])c1ccc(N=NCc2ccc(-c3nnn[n-]3)cc2F)c([N+](=O)[O-])c1	ZINC000823639534	607462711	/nfs/dbraw/zinc/46/27/11/607462711.db2.gz	CLBMLGSFDGNMEL-UHFFFAOYSA-N	-1	3	372.276	2.268	20	30		FEEDHM
O=[N+]([O-])c1ccc(N=NCc2ccc(-c3nn[n-]n3)cc2F)c([N+](=O)[O-])c1	ZINC000823639534	607462713	/nfs/dbraw/zinc/46/27/13/607462713.db2.gz	CLBMLGSFDGNMEL-UHFFFAOYSA-N	-1	3	372.276	2.268	20	30		FEEDHM
CCc1nsc(N2CCCN([C@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)n1	ZINC000830351453	601053413	/nfs/dbraw/zinc/05/34/13/601053413.db2.gz	XLGWOVMQJAUWNP-INIZCTEOSA-N	-1	3	371.466	2.310	20	30		FEEDHM
N#Cc1cccc(OC2CCN(Cc3ccnc(-c4nnn[n-]4)c3)CC2)c1	ZINC000826387399	607495839	/nfs/dbraw/zinc/49/58/39/607495839.db2.gz	SVNBCVDZPMPGKI-UHFFFAOYSA-N	-1	3	361.409	2.177	20	30		FEEDHM
Cc1sc(NC(=O)CN(CCC(=O)[O-])C2CCOCC2)c(C#N)c1C	ZINC000833034146	601423302	/nfs/dbraw/zinc/42/33/02/601423302.db2.gz	PLRKNZCEBUAXTG-UHFFFAOYSA-N	-1	3	365.455	2.131	20	30		FEEDHM
CN(C[C@@H]1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1)C(=O)[O-]	ZINC000739658535	602543080	/nfs/dbraw/zinc/54/30/80/602543080.db2.gz	FENFOHOIWPOSKW-STQMWFEESA-N	-1	3	372.450	2.404	20	30		FEEDHM
N#Cc1c(Cl)cccc1S(=O)(=O)Oc1ccccc1-c1nnn[n-]1	ZINC000826383293	607573918	/nfs/dbraw/zinc/57/39/18/607573918.db2.gz	SUCWCWHLDDBGID-UHFFFAOYSA-N	-1	3	361.770	2.159	20	30		FEEDHM
N#Cc1c(Cl)cccc1S(=O)(=O)Oc1ccccc1-c1nn[n-]n1	ZINC000826383293	607573919	/nfs/dbraw/zinc/57/39/19/607573919.db2.gz	SUCWCWHLDDBGID-UHFFFAOYSA-N	-1	3	361.770	2.159	20	30		FEEDHM
C=C(C)CN1CCC(NC(=O)N[C@@H](C)[C@H]2CCCN(C(=O)[O-])C2)CC1	ZINC000738485727	602680118	/nfs/dbraw/zinc/68/01/18/602680118.db2.gz	PUIDKWXYHRETCJ-GJZGRUSLSA-N	-1	3	352.479	2.105	20	30		FEEDHM
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCC[C@H](NC(=O)[O-])C1	ZINC000739606452	603170067	/nfs/dbraw/zinc/17/00/67/603170067.db2.gz	UAJKIHADDQRONJ-ROUUACIJSA-N	-1	3	372.469	2.275	20	30		FEEDHM
C=C(C)CN1CCC(NC(=O)N[C@@H]2CCCC[C@H]2CNC(=O)[O-])CC1	ZINC000823480656	603769123	/nfs/dbraw/zinc/76/91/23/603769123.db2.gz	KCBBHGUCIINSKF-GOEBONIOSA-N	-1	3	352.479	2.153	20	30		FEEDHM
CN(C(=O)[O-])[C@H]1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1	ZINC000827882200	603843954	/nfs/dbraw/zinc/84/39/54/603843954.db2.gz	LTZOZKCQYVQQOC-RYUDHWBXSA-N	-1	3	358.423	2.157	20	30		FEEDHM
N#C[C@H]1CCC[C@@H]1NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1	ZINC000822802365	606301857	/nfs/dbraw/zinc/30/18/57/606301857.db2.gz	ZPUQREQSHJLHMJ-ZBFHGGJFSA-N	-1	3	354.414	2.224	20	30		FEEDHM
N#C[C@H]1CCC[C@@H]1NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1	ZINC000822802365	606301859	/nfs/dbraw/zinc/30/18/59/606301859.db2.gz	ZPUQREQSHJLHMJ-ZBFHGGJFSA-N	-1	3	354.414	2.224	20	30		FEEDHM
N#C[C@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1cccc(Cl)c1Cl	ZINC000822801736	606320470	/nfs/dbraw/zinc/32/04/70/606320470.db2.gz	NKAPLWLFZDYVDT-NSHDSACASA-N	-1	3	362.180	2.496	20	30		FEEDHM
N#C[C@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1cccc(Cl)c1Cl	ZINC000822801736	606320472	/nfs/dbraw/zinc/32/04/72/606320472.db2.gz	NKAPLWLFZDYVDT-NSHDSACASA-N	-1	3	362.180	2.496	20	30		FEEDHM
Cc1nc(SCC(=O)N[C@H]2CCC[C@H]2C#N)c(-c2nnn[n-]2)c(C)c1C	ZINC000822453894	606325447	/nfs/dbraw/zinc/32/54/47/606325447.db2.gz	PXBLFBCQOGFIEX-STQMWFEESA-N	-1	3	371.470	2.088	20	30		FEEDHM
Cc1nc(SCC(=O)N[C@H]2CCC[C@H]2C#N)c(-c2nn[n-]n2)c(C)c1C	ZINC000822453894	606325449	/nfs/dbraw/zinc/32/54/49/606325449.db2.gz	PXBLFBCQOGFIEX-STQMWFEESA-N	-1	3	371.470	2.088	20	30		FEEDHM
COc1cccc(C#CCOC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1	ZINC000821853852	606397020	/nfs/dbraw/zinc/39/70/20/606397020.db2.gz	BPOOYEMIKBRVLT-QXMHVHEDSA-N	-1	3	360.373	2.483	20	30		FEEDHM
COc1cccc(C#CCOC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1	ZINC000821853852	606397022	/nfs/dbraw/zinc/39/70/22/606397022.db2.gz	BPOOYEMIKBRVLT-QXMHVHEDSA-N	-1	3	360.373	2.483	20	30		FEEDHM
COCCN(Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)c(C#N)n1	ZINC000821690549	606462661	/nfs/dbraw/zinc/46/26/61/606462661.db2.gz	PPBHBLNAQTYYAW-UHFFFAOYSA-N	-1	3	369.816	2.440	20	30		FEEDHM
COCCN(Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)c(C#N)n1	ZINC000821690549	606462662	/nfs/dbraw/zinc/46/26/62/606462662.db2.gz	PPBHBLNAQTYYAW-UHFFFAOYSA-N	-1	3	369.816	2.440	20	30		FEEDHM
CC[C@@H](C#N)OC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1	ZINC000820842267	606613733	/nfs/dbraw/zinc/61/37/33/606613733.db2.gz	LHEIEFBVGLYUKP-LBPRGKRZSA-N	-1	3	353.338	2.498	20	30		FEEDHM
CCN(CCC#N)C(=O)CNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1	ZINC000821206831	606707399	/nfs/dbraw/zinc/70/73/99/606707399.db2.gz	GBERBYRGUHZAFY-UHFFFAOYSA-N	-1	3	367.335	2.060	20	30		FEEDHM
CCN(CCC#N)C(=O)CNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1	ZINC000821206831	606707400	/nfs/dbraw/zinc/70/74/00/606707400.db2.gz	GBERBYRGUHZAFY-UHFFFAOYSA-N	-1	3	367.335	2.060	20	30		FEEDHM
C#CCOCCOC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1	ZINC000819702316	606823432	/nfs/dbraw/zinc/82/34/32/606823432.db2.gz	YKIBVQODWCWNDG-UHFFFAOYSA-N	-1	3	364.361	2.466	20	30		FEEDHM
C#CCOCCOC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1	ZINC000819702316	606823434	/nfs/dbraw/zinc/82/34/34/606823434.db2.gz	YKIBVQODWCWNDG-UHFFFAOYSA-N	-1	3	364.361	2.466	20	30		FEEDHM
N#Cc1ccccc1OCC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl	ZINC000822842492	607190115	/nfs/dbraw/zinc/19/01/15/607190115.db2.gz	KVDQSURFAJGTKX-UHFFFAOYSA-N	-1	3	354.757	2.409	20	30		FEEDHM
N#Cc1ccccc1OCC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl	ZINC000822842492	607190116	/nfs/dbraw/zinc/19/01/16/607190116.db2.gz	KVDQSURFAJGTKX-UHFFFAOYSA-N	-1	3	354.757	2.409	20	30		FEEDHM
C=CCN(c1ccccc1)S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1	ZINC000819745611	607207002	/nfs/dbraw/zinc/20/70/02/607207002.db2.gz	LYUFNLRPBCCRMP-UHFFFAOYSA-N	-1	3	355.423	2.389	20	30		FEEDHM
C=CCN(c1ccccc1)S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1	ZINC000819745611	607207003	/nfs/dbraw/zinc/20/70/03/607207003.db2.gz	LYUFNLRPBCCRMP-UHFFFAOYSA-N	-1	3	355.423	2.389	20	30		FEEDHM
CCCCCCCCNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F	ZINC000825271076	607859822	/nfs/dbraw/zinc/85/98/22/607859822.db2.gz	GJIPCUQKISZJFY-UHFFFAOYSA-N	-1	3	362.409	2.421	20	30		FEEDHM
CCCCCCCCNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F	ZINC000825271076	607859823	/nfs/dbraw/zinc/85/98/23/607859823.db2.gz	GJIPCUQKISZJFY-UHFFFAOYSA-N	-1	3	362.409	2.421	20	30		FEEDHM
FC(F)(F)c1cc(NN=Cc2cnn3cccnc23)ccc1-c1nnn[n-]1	ZINC000826368247	607888625	/nfs/dbraw/zinc/88/86/25/607888625.db2.gz	IWJYQIRABPRKCO-UHFFFAOYSA-N	-1	3	373.302	2.374	20	30		FEEDHM
FC(F)(F)c1cc(NN=Cc2cnn3cccnc23)ccc1-c1nn[n-]n1	ZINC000826368247	607888626	/nfs/dbraw/zinc/88/86/26/607888626.db2.gz	IWJYQIRABPRKCO-UHFFFAOYSA-N	-1	3	373.302	2.374	20	30		FEEDHM
C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCc2ccc(C#N)cc21	ZINC000824744606	607946964	/nfs/dbraw/zinc/94/69/64/607946964.db2.gz	CCZORYDDEDIZLO-GFCCVEGCSA-N	-1	3	360.377	2.095	20	30		FEEDHM
C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCc2ccc(C#N)cc21	ZINC000824744606	607946965	/nfs/dbraw/zinc/94/69/65/607946965.db2.gz	CCZORYDDEDIZLO-GFCCVEGCSA-N	-1	3	360.377	2.095	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2cccnc2OCC(F)F)cc1-c1nnn[n-]1	ZINC000826385223	608028321	/nfs/dbraw/zinc/02/83/21/608028321.db2.gz	BYOBZIQCXIYGNZ-UHFFFAOYSA-N	-1	3	371.307	2.030	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2cccnc2OCC(F)F)cc1-c1nn[n-]n1	ZINC000826385223	608028322	/nfs/dbraw/zinc/02/83/22/608028322.db2.gz	BYOBZIQCXIYGNZ-UHFFFAOYSA-N	-1	3	371.307	2.030	20	30		FEEDHM
N#CCOc1cccc(CC(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)c1	ZINC000826382196	608029974	/nfs/dbraw/zinc/02/99/74/608029974.db2.gz	SFIPBNOAJZSOTO-UHFFFAOYSA-N	-1	3	367.340	2.194	20	30		FEEDHM
N#CCOc1cccc(CC(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)c1	ZINC000826382196	608029975	/nfs/dbraw/zinc/02/99/75/608029975.db2.gz	SFIPBNOAJZSOTO-UHFFFAOYSA-N	-1	3	367.340	2.194	20	30		FEEDHM
CCN(C[C@H](C)C#N)[C@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1	ZINC000825399358	608154421	/nfs/dbraw/zinc/15/44/21/608154421.db2.gz	QYNMLDXEUNKQHU-GHMZBOCLSA-N	-1	3	361.837	2.329	20	30		FEEDHM
CCN(C[C@H](C)C#N)[C@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1	ZINC000825399358	608154422	/nfs/dbraw/zinc/15/44/22/608154422.db2.gz	QYNMLDXEUNKQHU-GHMZBOCLSA-N	-1	3	361.837	2.329	20	30		FEEDHM
CCn1c2ccc(C#N)cc2nc1NC(=O)Cc1cccc(-c2nnn[n-]2)c1	ZINC000825793052	608174723	/nfs/dbraw/zinc/17/47/23/608174723.db2.gz	KXSHEWWPSDRCPA-UHFFFAOYSA-N	-1	3	372.392	2.289	20	30		FEEDHM
CCn1c2ccc(C#N)cc2nc1NC(=O)Cc1cccc(-c2nn[n-]n2)c1	ZINC000825793052	608174725	/nfs/dbraw/zinc/17/47/25/608174725.db2.gz	KXSHEWWPSDRCPA-UHFFFAOYSA-N	-1	3	372.392	2.289	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)Cn1ccc(Br)n1	ZINC000823915452	608478089	/nfs/dbraw/zinc/47/80/89/608478089.db2.gz	YIMMUIKMKHUGAO-UHFFFAOYSA-N	-1	3	374.246	2.471	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)Cn1ccc(Br)n1	ZINC000823915452	608478092	/nfs/dbraw/zinc/47/80/92/608478092.db2.gz	YIMMUIKMKHUGAO-UHFFFAOYSA-N	-1	3	374.246	2.471	20	30		FEEDHM
N#Cc1ccc(C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cn1	ZINC000826384040	608485661	/nfs/dbraw/zinc/48/56/61/608485661.db2.gz	DFNCIKRNZJLDON-UHFFFAOYSA-N	-1	3	357.377	2.063	20	30		FEEDHM
N#Cc1ccc(C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cn1	ZINC000826384040	608485662	/nfs/dbraw/zinc/48/56/62/608485662.db2.gz	DFNCIKRNZJLDON-UHFFFAOYSA-N	-1	3	357.377	2.063	20	30		FEEDHM
CCOc1cccc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)c1O	ZINC000825649826	608542419	/nfs/dbraw/zinc/54/24/19/608542419.db2.gz	YWVASKRKFGBMJC-UHFFFAOYSA-N	-1	3	359.777	2.465	20	30		FEEDHM
CCOc1cccc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)c1O	ZINC000825649826	608542421	/nfs/dbraw/zinc/54/24/21/608542421.db2.gz	YWVASKRKFGBMJC-UHFFFAOYSA-N	-1	3	359.777	2.465	20	30		FEEDHM
COc1cc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)ccc1[N+](=O)[O-]	ZINC000826178537	608883672	/nfs/dbraw/zinc/88/36/72/608883672.db2.gz	BQEUADRSVMKLFA-UHFFFAOYSA-N	-1	3	374.748	2.278	20	30		FEEDHM
Cc1oc(NC(=O)[C@H](C)N2CCC(C)(C#N)CC2)c(-c2nnn[n-]2)c1C	ZINC000826341774	609143457	/nfs/dbraw/zinc/14/34/57/609143457.db2.gz	PRFWOIDWOKDHJT-NSHDSACASA-N	-1	3	357.418	2.029	20	30		FEEDHM
N#CC1(COC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)CCCC1	ZINC000826379905	609157589	/nfs/dbraw/zinc/15/75/89/609157589.db2.gz	GNYIASNXIAQTLD-INIZCTEOSA-N	-1	3	366.425	2.463	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cccc2nccn21	ZINC000823915561	609179897	/nfs/dbraw/zinc/17/98/97/609179897.db2.gz	ZWHVGDBRZQDITO-UHFFFAOYSA-N	-1	3	359.393	2.343	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cccc2nccn21	ZINC000823915561	609179898	/nfs/dbraw/zinc/17/98/98/609179898.db2.gz	ZWHVGDBRZQDITO-UHFFFAOYSA-N	-1	3	359.393	2.343	20	30		FEEDHM
N#Cc1cc(NC(=O)COc2cccc3cccnc32)ccc1-c1nnn[n-]1	ZINC000826384421	609234464	/nfs/dbraw/zinc/23/44/64/609234464.db2.gz	UZPWSJBWWCESEE-UHFFFAOYSA-N	-1	3	371.360	2.304	20	30		FEEDHM
N#Cc1cc(NC(=O)COc2cccc3cccnc32)ccc1-c1nn[n-]n1	ZINC000826384421	609234465	/nfs/dbraw/zinc/23/44/65/609234465.db2.gz	UZPWSJBWWCESEE-UHFFFAOYSA-N	-1	3	371.360	2.304	20	30		FEEDHM
N#Cc1ccc(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)c(F)c1	ZINC000826384199	609274688	/nfs/dbraw/zinc/27/46/88/609274688.db2.gz	KZRHXWMQVAXYQD-HYXAFXHYSA-N	-1	3	359.324	2.421	20	30		FEEDHM
N#Cc1ccc(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)c(F)c1	ZINC000826384199	609274689	/nfs/dbraw/zinc/27/46/89/609274689.db2.gz	KZRHXWMQVAXYQD-HYXAFXHYSA-N	-1	3	359.324	2.421	20	30		FEEDHM
C[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)N1CCc2ccccc21	ZINC000824044890	609383148	/nfs/dbraw/zinc/38/31/48/609383148.db2.gz	ANBIJVABRKRXOV-GFCCVEGCSA-N	-1	3	359.393	2.128	20	30		FEEDHM
C[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)N1CCc2ccccc21	ZINC000824044890	609383150	/nfs/dbraw/zinc/38/31/50/609383150.db2.gz	ANBIJVABRKRXOV-GFCCVEGCSA-N	-1	3	359.393	2.128	20	30		FEEDHM
Cc1cc(C(=O)N[C@H](C#N)CC(C)C)nn1-c1cccc(-c2nnn[n-]2)c1	ZINC000826258644	609604858	/nfs/dbraw/zinc/60/48/58/609604858.db2.gz	QSCWJOUMSWTLLA-AWEZNQCLSA-N	-1	3	364.413	2.029	20	30		FEEDHM
Cc1cc(C(=O)N[C@H](C#N)CC(C)C)nn1-c1cccc(-c2nn[n-]n2)c1	ZINC000826258644	609604861	/nfs/dbraw/zinc/60/48/61/609604861.db2.gz	QSCWJOUMSWTLLA-AWEZNQCLSA-N	-1	3	364.413	2.029	20	30		FEEDHM
C#C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccc(F)cc1	ZINC000812754492	674696584	/nfs/dbraw/zinc/69/65/84/674696584.db2.gz	RXKCPXACCQLSNJ-OAHLLOKOSA-N	-1	3	362.382	2.007	20	30		FEEDHM
CC(C)c1c(C(=O)N[C@@H]2CCN([O-])C2=O)cnn1-c1cccc(Cl)c1	ZINC000816691918	675073309	/nfs/dbraw/zinc/07/33/09/675073309.db2.gz	BZBURXKATWNJGR-CQSZACIVSA-N	-1	3	362.817	2.369	20	30		FEEDHM
C[C@@H](Sc1ccc(Br)cc1)C(=O)N[C@@H]1CCCN([O-])C1=O	ZINC000816755710	675077602	/nfs/dbraw/zinc/07/76/02/675077602.db2.gz	HLDCXJKETQCZDX-BXKDBHETSA-N	-1	3	373.272	2.426	20	30		FEEDHM
CC(C)Oc1cc(Br)ccc1C(=O)N[C@@H]1CCCN([O-])C1=O	ZINC000816753830	675077659	/nfs/dbraw/zinc/07/76/59/675077659.db2.gz	QEBAQIMJFLFHRA-GFCCVEGCSA-N	-1	3	371.231	2.346	20	30		FEEDHM
N#Cc1cccc([N-]S(=O)(=O)CCOCC2CC2)c1Br	ZINC000582959044	672049661	/nfs/dbraw/zinc/04/96/61/672049661.db2.gz	XAIABRNKYKNVMF-UHFFFAOYSA-N	-1	3	359.245	2.489	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H](OC(F)F)C1	ZINC000611573687	676044860	/nfs/dbraw/zinc/04/48/60/676044860.db2.gz	SOKSWOAZZNXODB-GFCCVEGCSA-N	-1	3	353.369	2.439	20	30		FEEDHM
CCN(C[C@H](C)C#N)S(=O)(=O)[N-][C@@H](Cc1ccccc1)c1ncco1	ZINC000594487461	673090961	/nfs/dbraw/zinc/09/09/61/673090961.db2.gz	IREGJDFJNNXGCE-ZBFHGGJFSA-N	-1	3	362.455	2.274	20	30		FEEDHM
CO[C@H](CS(=O)(=O)[N-]c1cccc(OCCCC#N)c1)[C@@H]1CCOC1	ZINC000594696171	673117573	/nfs/dbraw/zinc/11/75/73/673117573.db2.gz	XQJFPSBMGYSTGU-RHSMWYFYSA-N	-1	3	368.455	2.162	20	30		FEEDHM
C=CCC1([N-]S(=O)(=O)c2cc(F)ccc2C(=O)OC)CCOCC1	ZINC000594843485	673159401	/nfs/dbraw/zinc/15/94/01/673159401.db2.gz	BJFMPVXRDPWPJD-UHFFFAOYSA-N	-1	3	357.403	2.016	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(F)cn2)ccc1F	ZINC000728476450	673202187	/nfs/dbraw/zinc/20/21/87/673202187.db2.gz	PJEVXILJBROIHM-UHFFFAOYSA-N	-1	3	353.350	2.076	20	30		FEEDHM
CNC(=O)c1ccc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)cn1	ZINC000728766687	673211032	/nfs/dbraw/zinc/21/10/32/673211032.db2.gz	GFBJGVIMXOWZIU-NSHDSACASA-N	-1	3	356.769	2.056	20	30		FEEDHM
CC(C)N(C(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21)C1CCCCC1	ZINC000728823598	673212736	/nfs/dbraw/zinc/21/27/36/673212736.db2.gz	UFYVBJORLSPZRD-UHFFFAOYSA-N	-1	3	363.483	2.295	20	30		FEEDHM
COC(=O)c1sc2[n-]c(CN3CCC[C@H](CC#N)C3)nc(=O)c2c1C	ZINC000595617498	673273978	/nfs/dbraw/zinc/27/39/78/673273978.db2.gz	WQHLVLAGXLINAO-LLVKDONJSA-N	-1	3	360.439	2.205	20	30		FEEDHM
CCCNC([S-])=C(C([O-])=C1C=CC(=NC(N)=O)C=C1)[n+]1ccccc1	ZINC000732179328	673356240	/nfs/dbraw/zinc/35/62/40/673356240.db2.gz	HHTARPDUEUIBGZ-UHFFFAOYSA-O	-1	3	357.459	2.487	20	30		FEEDHM
O=S(=O)(Cc1ccccc1)[N-]N=Cc1nccn1Cc1ccccc1	ZINC000734096148	673452049	/nfs/dbraw/zinc/45/20/49/673452049.db2.gz	IPDICHSDEGGKDR-UHFFFAOYSA-N	-1	3	354.435	2.385	20	30		FEEDHM
COC(=O)CCCc1nnc([N-]C(=O)c2cc(F)c(C#N)c(F)c2)s1	ZINC000597284394	673463447	/nfs/dbraw/zinc/46/34/47/673463447.db2.gz	BJYHIBQLFLOLLT-UHFFFAOYSA-N	-1	3	366.349	2.436	20	30		FEEDHM
N#Cc1cncc(S(=O)(=O)[N-][C@H](CCc2ccccc2)C(F)F)c1	ZINC000599416082	673672765	/nfs/dbraw/zinc/67/27/65/673672765.db2.gz	BQWLZTNJUFCYOV-OAHLLOKOSA-N	-1	3	351.378	2.498	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCO[C@@H](C(F)F)CC1	ZINC000601804423	673898267	/nfs/dbraw/zinc/89/82/67/673898267.db2.gz	VPFKQVHHRODSHF-CQSZACIVSA-N	-1	3	353.369	2.091	20	30		FEEDHM
CC[C@@H](Cc1ccccc1Br)C(=O)N[C@@H]1CCN([O-])C1=O	ZINC000820186565	675342083	/nfs/dbraw/zinc/34/20/83/675342083.db2.gz	ZKGFJCFYJFEERW-GXFFZTMASA-N	-1	3	355.232	2.124	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1nc(C(F)F)no1	ZINC000820209948	675343847	/nfs/dbraw/zinc/34/38/47/675343847.db2.gz	XKGDWUNCJNVWMB-UHFFFAOYSA-N	-1	3	352.297	2.272	20	30		FEEDHM
C=CC[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)C1	ZINC000657094221	677943138	/nfs/dbraw/zinc/94/31/38/677943138.db2.gz	OTZVPYACTSBAMK-NSHDSACASA-N	-1	3	367.862	2.497	20	30		FEEDHM
C=CC[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)C1	ZINC000657094221	677943140	/nfs/dbraw/zinc/94/31/40/677943140.db2.gz	OTZVPYACTSBAMK-NSHDSACASA-N	-1	3	367.862	2.497	20	30		FEEDHM
N#CCN1CCC(Nc2ccc(Br)cc2-c2nnn[n-]2)CC1	ZINC000826381876	675687440	/nfs/dbraw/zinc/68/74/40/675687440.db2.gz	CMWFXMXNUHGAOK-UHFFFAOYSA-N	-1	3	362.235	2.029	20	30		FEEDHM
N#CCN1CCC(Nc2ccc(Br)cc2-c2nn[n-]n2)CC1	ZINC000826381876	675687441	/nfs/dbraw/zinc/68/74/41/675687441.db2.gz	CMWFXMXNUHGAOK-UHFFFAOYSA-N	-1	3	362.235	2.029	20	30		FEEDHM
CCC[C@H](C#N)[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1	ZINC000829713792	675888210	/nfs/dbraw/zinc/88/82/10/675888210.db2.gz	OMIHKEQQDUDUDB-SSDOTTSWSA-N	-1	3	352.641	2.468	20	30		FEEDHM
C=CCOCC[N-]S(=O)(=O)c1cc(C)c(Br)cc1F	ZINC000668181151	679154092	/nfs/dbraw/zinc/15/40/92/679154092.db2.gz	GGQFMRCXAMKSHT-UHFFFAOYSA-N	-1	3	352.225	2.378	20	30		FEEDHM
CC(C)C[C@H](C)NC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000752226187	680230896	/nfs/dbraw/zinc/23/08/96/680230896.db2.gz	GIMIICPXDBLYIU-STQMWFEESA-N	-1	3	351.472	2.055	20	30		FEEDHM
COc1cc2c(c(C=N[N-]S(=O)(=O)Cc3ccccc3)c1)O[C@H](C)C2	ZINC000755661814	680427409	/nfs/dbraw/zinc/42/74/09/680427409.db2.gz	JOZOPUXECHGNAS-CYBMUJFWSA-N	-1	3	360.435	2.472	20	30		FEEDHM
COC(=O)c1sc2[n-]c(CN(CCC#N)CC(C)C)nc(=O)c2c1C	ZINC000755670460	680427748	/nfs/dbraw/zinc/42/77/48/680427748.db2.gz	NCRODNWMRJXEDN-UHFFFAOYSA-N	-1	3	362.455	2.451	20	30		FEEDHM
C[Si](C)(C)C#CCCNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-]	ZINC000912329578	685353918	/nfs/dbraw/zinc/35/39/18/685353918.db2.gz	NLKJOLOPMUSBPV-MRXNPFEDSA-N	-1	3	358.514	2.384	20	30		FEEDHM
N#CC1(C[N-]S(=O)(=O)c2cnc(Cl)c(Br)c2)CCC1	ZINC000841571987	680900712	/nfs/dbraw/zinc/90/07/12/680900712.db2.gz	JXIHESIHJPEVSB-UHFFFAOYSA-N	-1	3	364.652	2.470	20	30		FEEDHM
Cc1cc(C)n(-c2nncn2N=Cc2cc([O-])ccc2Br)n1	ZINC000769797634	680995344	/nfs/dbraw/zinc/99/53/44/680995344.db2.gz	WTODUVWUMXSRKH-UHFFFAOYSA-N	-1	3	361.203	2.431	20	30		FEEDHM
C#CCOc1cccc([C@@H](C)OC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C)c1	ZINC000771600702	681062125	/nfs/dbraw/zinc/06/21/25/681062125.db2.gz	WKDRCDYQFJGZKI-CJNGLKHVSA-N	-1	3	367.467	2.267	20	30		FEEDHM
C#C[C@@H](NC(=O)NCc1ccc([O-])c(Br)c1)[C@@H]1CCCO1	ZINC000773558452	681148206	/nfs/dbraw/zinc/14/82/06/681148206.db2.gz	MTMUFVVMFZVBCF-OCCSQVGLSA-N	-1	3	353.216	2.135	20	30		FEEDHM
C[C@@H](C#N)Oc1ccccc1NC(=O)NCc1nc(C(F)(F)F)n[n-]1	ZINC000775722461	681328125	/nfs/dbraw/zinc/32/81/25/681328125.db2.gz	JDZQVBUTZDFDND-QMMMGPOBSA-N	-1	3	354.292	2.436	20	30		FEEDHM
CC[C@@H](C#N)N(C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1	ZINC000847168355	681339537	/nfs/dbraw/zinc/33/95/37/681339537.db2.gz	OMCQTTJZEFNZCC-LBPRGKRZSA-N	-1	3	355.435	2.277	20	30		FEEDHM
COCCO[C@@H]1COCC[C@H]1/N=C\c1cc(Br)ccc1[O-]	ZINC000776720984	681429978	/nfs/dbraw/zinc/42/99/78/681429978.db2.gz	BHBRXWKMLNQRAM-FKPVXGFXSA-N	-1	3	358.232	2.394	20	30		FEEDHM
CC(C)(C(=O)N[C@@H]1CCCN([O-])C1=O)c1ccccc1Br	ZINC000848132979	681478006	/nfs/dbraw/zinc/47/80/06/681478006.db2.gz	RFHDQMPALCUQLL-GFCCVEGCSA-N	-1	3	355.232	2.223	20	30		FEEDHM
O=C(N[C@H]1CCCN([O-])C1=O)c1nc2ccccc2cc1Br	ZINC000848131873	681478083	/nfs/dbraw/zinc/47/80/83/681478083.db2.gz	FGIRAMPLIKSLNW-LBPRGKRZSA-N	-1	3	364.199	2.107	20	30		FEEDHM
O=C(N[C@@H]1CCCN([O-])C1=O)c1ccn(-c2ccc(Cl)cc2Cl)n1	ZINC000848136231	681478647	/nfs/dbraw/zinc/47/86/47/681478647.db2.gz	UTZNDIYSPQNVAN-GFCCVEGCSA-N	-1	3	369.208	2.289	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)NOC2CCCCC2)ccc1F	ZINC000777959955	681548503	/nfs/dbraw/zinc/54/85/03/681548503.db2.gz	KWGXBHAGQSIDJY-UHFFFAOYSA-N	-1	3	356.419	2.284	20	30		FEEDHM
COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-]C2(C#N)CCCCC2)c1	ZINC000848693301	681603093	/nfs/dbraw/zinc/60/30/93/681603093.db2.gz	COWRTVPFVIDFJY-UHFFFAOYSA-N	-1	3	354.403	2.426	20	30		FEEDHM
CC[C@@H]1C[C@@H](C=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CCO1	ZINC000779771145	681751729	/nfs/dbraw/zinc/75/17/29/681751729.db2.gz	JRTPGLVJHSVGIG-DZGCQCFKSA-N	-1	3	355.416	2.205	20	30		FEEDHM
Cc1cccc(C)c1NC(=O)C[N-]S(=O)(=O)Cc1csc(C#N)c1	ZINC000913848019	685486506	/nfs/dbraw/zinc/48/65/06/685486506.db2.gz	RASSBTZZBCDGKW-UHFFFAOYSA-N	-1	3	363.464	2.295	20	30		FEEDHM
Cc1cc(C#N)cc(C)c1CS(=O)(=O)[N-][C@@H]1CCCCC12OCCO2	ZINC000914272899	685501957	/nfs/dbraw/zinc/50/19/57/685501957.db2.gz	QRPGUEVSEQGGDF-QGZVFWFLSA-N	-1	3	364.467	2.280	20	30		FEEDHM
CCC(F)(F)COC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000851491253	682074746	/nfs/dbraw/zinc/07/47/46/682074746.db2.gz	QYTGEUGPERUGLI-SNVBAGLBSA-N	-1	3	360.382	2.092	20	30		FEEDHM
CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OCC1(F)CC1	ZINC000789588148	682620436	/nfs/dbraw/zinc/62/04/36/682620436.db2.gz	YIAMFUVEOVGBHN-ZDUSSCGKSA-N	-1	3	368.430	2.329	20	30		FEEDHM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]CC[C@@H]1CC1(Cl)Cl	ZINC000856753388	682806232	/nfs/dbraw/zinc/80/62/32/682806232.db2.gz	YVSAPAQJHZRSRH-MRVPVSSYSA-N	-1	3	364.210	2.329	20	30		FEEDHM
C#CC[C@H](CCOC)[N-]S(=O)(=O)c1cccc(Br)c1F	ZINC000859423603	683106787	/nfs/dbraw/zinc/10/67/87/683106787.db2.gz	HCHBPYYRZAVAGA-SNVBAGLBSA-N	-1	3	364.236	2.295	20	30		FEEDHM
C#CC[C@H](COC)[N-]S(=O)(=O)c1cccc(Br)c1Cl	ZINC000859429227	683108638	/nfs/dbraw/zinc/10/86/38/683108638.db2.gz	CAWDVGYIYMFTMR-SECBINFHSA-N	-1	3	366.664	2.419	20	30		FEEDHM
COc1ccc(NC(=O)C(C#N)=C([O-])c2cn(C(C)C)nn2)cc1Cl	ZINC000796745827	683192336	/nfs/dbraw/zinc/19/23/36/683192336.db2.gz	MVKGHYGXXRAHRF-NSHDSACASA-N	-1	3	361.789	2.482	20	30		FEEDHM
O=S(=O)(Cc1ccccc1)[N-]N=Cc1cnn(Cc2ccccc2)c1	ZINC000920383599	683338174	/nfs/dbraw/zinc/33/81/74/683338174.db2.gz	LVTJUCGHIOFFON-UHFFFAOYSA-N	-1	3	354.435	2.385	20	30		FEEDHM
Cc1ncc(CO)c(/C=N/C[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c1[O-]	ZINC000864349282	683840754	/nfs/dbraw/zinc/84/07/54/683840754.db2.gz	WNNFHZKEKNLXNK-AINDZBIGSA-N	-1	3	362.451	2.214	20	30		FEEDHM
CC1(c2ccc(C[N-]S(=O)(=O)c3ccsc3C#N)cc2)OCCO1	ZINC000867585558	684321953	/nfs/dbraw/zinc/32/19/53/684321953.db2.gz	BRDZKYKQMXRNIL-UHFFFAOYSA-N	-1	3	364.448	2.318	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H]3CC=CC[C@@H]3C2)ccc1F	ZINC000871517061	684825794	/nfs/dbraw/zinc/82/57/94/684825794.db2.gz	YZUPXPIIFHWQOA-GASCZTMLSA-N	-1	3	364.442	2.328	20	30		FEEDHM
CCOc1ccc(Br)cc1NC(=O)N[C@H]1CCCN([O-])C1=O	ZINC000878588165	686614189	/nfs/dbraw/zinc/61/41/89/686614189.db2.gz	WISTWYQZCAMAIS-JTQLQIEISA-N	-1	3	372.219	2.350	20	30		FEEDHM
Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)N[C@@H]1CCCN([O-])C1=O	ZINC000879470000	686829303	/nfs/dbraw/zinc/82/93/03/686829303.db2.gz	IMLNWSSHRCSNPN-CYBMUJFWSA-N	-1	3	363.805	2.336	20	30		FEEDHM
O=C(Nc1ccc(SC(F)(F)F)nc1)N[C@H]1CCCN([O-])C1=O	ZINC000879876854	686935534	/nfs/dbraw/zinc/93/55/34/686935534.db2.gz	JSCHVGPOAQSJEZ-QMMMGPOBSA-N	-1	3	350.322	2.195	20	30		FEEDHM
CC(=O)c1ccc(Br)c(NC(=O)N[C@H]2CCCN([O-])C2=O)c1	ZINC000880812296	687087636	/nfs/dbraw/zinc/08/76/36/687087636.db2.gz	STPLGBDDZKMIRJ-NSHDSACASA-N	-1	3	370.203	2.153	20	30		FEEDHM
N#Cc1cc(C(F)(F)F)cc(N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)n1	ZINC000897345241	690009398	/nfs/dbraw/zinc/00/93/98/690009398.db2.gz	JORHXVUQKUMVDT-SNVBAGLBSA-N	-1	3	350.304	2.158	20	30		FEEDHM
CCNS(=O)(=O)c1ccc(C)c(C(=O)N([O-])Cc2ccc(F)cc2)c1	ZINC000901376708	690641568	/nfs/dbraw/zinc/64/15/68/690641568.db2.gz	XFJULVQSOALINM-UHFFFAOYSA-N	-1	3	366.414	2.464	20	30		FEEDHM
C#C[C@@H](NC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1)[C@@H]1CCCO1	ZINC000907485466	691499045	/nfs/dbraw/zinc/49/90/45/691499045.db2.gz	GDDSOCZTDPRDPZ-MNOVXSKESA-N	-1	3	351.428	2.401	20	30		FEEDHM
O=C(Cc1cc(Br)ccc1Cl)N[C@@H]1CCCN([O-])C1=O	ZINC000908405120	691674083	/nfs/dbraw/zinc/67/40/83/691674083.db2.gz	DZFACDLZIQADND-LLVKDONJSA-N	-1	3	361.623	2.141	20	30		FEEDHM
C=C(C)CN1CCC(NC(=O)N[C@H](C(=O)[O-])c2ccc3c(c2)CCO3)CC1	ZINC000908945282	939360744	/nfs/dbraw/zinc/36/07/44/939360744.db2.gz	FAHKLNNICRIJLW-SFHVURJKSA-N	-1	3	373.453	2.087	20	30		FEEDHM
C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccccc1[N-]S(C)(=O)=O	ZINC000029830784	539865559	/nfs/dbraw/zinc/86/55/59/539865559.db2.gz	OUDFXGIGLHIDAU-GFCCVEGCSA-N	-1	3	359.407	2.336	20	30		FEEDHM
CO[C@H](CNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1ccccc1	ZINC000043519617	540102415	/nfs/dbraw/zinc/10/24/15/540102415.db2.gz	HVYZMOCKMVLZIZ-GOSISDBHSA-N	-1	3	353.422	2.300	20	30		FEEDHM
COC(=O)C1(C#N)CCN(Cc2cc(Br)ccc2[O-])CC1	ZINC000824867683	675625942	/nfs/dbraw/zinc/62/59/42/675625942.db2.gz	UXZYPRXBUBFRKM-UHFFFAOYSA-N	-1	3	353.216	2.433	20	30		FEEDHM
CCCN(CC#N)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1	ZINC000056485168	540729969	/nfs/dbraw/zinc/72/99/69/540729969.db2.gz	XAFDXNWZLGJQSH-UHFFFAOYSA-N	-1	3	355.435	2.278	20	30		FEEDHM
COc1ccc(N(C)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1OC	ZINC000064322015	541200983	/nfs/dbraw/zinc/20/09/83/541200983.db2.gz	MWMVYIONFFBFLC-UHFFFAOYSA-N	-1	3	369.421	2.476	20	30		FEEDHM
CCN(CC#N)C(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C(C)(C)C)c1	ZINC000068231263	541566236	/nfs/dbraw/zinc/56/62/36/541566236.db2.gz	UQYFBVRRYXJXNH-UHFFFAOYSA-N	-1	3	357.863	2.402	20	30		FEEDHM
N#Cc1ccc(Oc2ccc(NC(=O)CC[C@H]3NC(=O)[N-]C3=O)cc2)cc1	ZINC000068916836	541640620	/nfs/dbraw/zinc/64/06/20/541640620.db2.gz	IKZYRACKLSAUPX-MRXNPFEDSA-N	-1	3	364.361	2.277	20	30		FEEDHM
C=CCn1c(=O)c2ccc(C(=O)NC[C@@H](C)N(C)C3CC3)cc2[n-]c1=S	ZINC000069534137	541694717	/nfs/dbraw/zinc/69/47/17/541694717.db2.gz	YLYPJGBBMQFCOC-GFCCVEGCSA-N	-1	3	372.494	2.084	20	30		FEEDHM
O=C(Nc1nnc(-c2ccco2)[n-]1)[C@@H]1CC(=O)N(Cc2ccccn2)C1	ZINC000075816726	542204611	/nfs/dbraw/zinc/20/46/11/542204611.db2.gz	BPJICJBUCHOURF-LLVKDONJSA-N	-1	3	352.354	2.096	20	30		FEEDHM
O=C(Nc1nc(-c2ccco2)n[n-]1)[C@@H]1CC(=O)N(Cc2ccccn2)C1	ZINC000075816726	542204614	/nfs/dbraw/zinc/20/46/14/542204614.db2.gz	BPJICJBUCHOURF-LLVKDONJSA-N	-1	3	352.354	2.096	20	30		FEEDHM
O=C(Nc1n[n-]c(-c2ccco2)n1)[C@@H]1CC(=O)N(Cc2ccccn2)C1	ZINC000075816726	542204616	/nfs/dbraw/zinc/20/46/16/542204616.db2.gz	BPJICJBUCHOURF-LLVKDONJSA-N	-1	3	352.354	2.096	20	30		FEEDHM
N#CC1(C(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)CCCC1	ZINC000076920854	542329788	/nfs/dbraw/zinc/32/97/88/542329788.db2.gz	RSZGTLCYOHSWMB-UHFFFAOYSA-N	-1	3	351.403	2.289	20	30		FEEDHM
CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)[N-]CCCCC#N)s1	ZINC000092304855	542856099	/nfs/dbraw/zinc/85/60/99/542856099.db2.gz	SXCZEDJAJOZMQT-UHFFFAOYSA-N	-1	3	371.528	2.425	20	30		FEEDHM
CCc1ccc([C@@H](CO)NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1	ZINC000092680636	542881033	/nfs/dbraw/zinc/88/10/33/542881033.db2.gz	WWEPULUHXBYJFV-LJQANCHMSA-N	-1	3	367.449	2.208	20	30		FEEDHM
C=C(C)CN1CCC(NC(=O)c2nn(-c3ccccc3F)cc2[O-])CC1	ZINC000106290784	543221675	/nfs/dbraw/zinc/22/16/75/543221675.db2.gz	CTRNUUMIANKVEC-UHFFFAOYSA-N	-1	3	358.417	2.487	20	30		FEEDHM
C[C@H](C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)N1CCC(C)CC1	ZINC000124622330	543833435	/nfs/dbraw/zinc/83/34/35/543833435.db2.gz	HQESTLDKOPAYFI-GFCCVEGCSA-N	-1	3	357.426	2.235	20	30		FEEDHM
Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)nc2)c(OCCN(C)C)c1	ZINC000127396248	543990226	/nfs/dbraw/zinc/99/02/26/543990226.db2.gz	ZCBMNEVVTZTSDQ-UHFFFAOYSA-N	-1	3	360.439	2.003	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)c1ccc(F)c(C#N)c1)c1cn(-c2ccccc2)nn1	ZINC000129672113	544122852	/nfs/dbraw/zinc/12/28/52/544122852.db2.gz	KTPYPMDRZAGTMY-LBPRGKRZSA-N	-1	3	371.397	2.318	20	30		FEEDHM
COc1ccc(CC[N-]S(=O)(=O)c2ccc(C#N)cc2F)cc1OC	ZINC000151002268	544494735	/nfs/dbraw/zinc/49/47/35/544494735.db2.gz	VZWKFGMDONBAAT-UHFFFAOYSA-N	-1	3	364.398	2.236	20	30		FEEDHM
CN(C)[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1F)c1cccc(F)c1	ZINC000151017245	544496383	/nfs/dbraw/zinc/49/63/83/544496383.db2.gz	ODISMBIUVLGQQV-INIZCTEOSA-N	-1	3	365.405	2.418	20	30		FEEDHM
CN(C)[C@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1F)c1ccc(F)cc1	ZINC000151087276	544504158	/nfs/dbraw/zinc/50/41/58/544504158.db2.gz	NHUZGCDQFISFBH-MRXNPFEDSA-N	-1	3	365.405	2.418	20	30		FEEDHM
C=C(C)CNC(=O)[C@@H](C)[N-]S(=O)(=O)c1ccccc1C(F)(F)F	ZINC000153011496	544723456	/nfs/dbraw/zinc/72/34/56/544723456.db2.gz	HBEKBTUIHREBJD-SNVBAGLBSA-N	-1	3	350.362	2.065	20	30		FEEDHM
COc1cc(S(=O)(=O)[N-][C@@H](C)CC#N)c(OC)cc1Br	ZINC000153866998	544833263	/nfs/dbraw/zinc/83/32/63/544833263.db2.gz	SGDKJTFIYLSFGA-QMMMGPOBSA-N	-1	3	363.233	2.047	20	30		FEEDHM
CC(C)(C(=O)NCc1nc(C(F)(F)F)n[n-]1)c1cc(F)cc(C#N)c1	ZINC000803121619	674223872	/nfs/dbraw/zinc/22/38/72/674223872.db2.gz	NISKDQRCHVDEKW-UHFFFAOYSA-N	-1	3	355.295	2.428	20	30		FEEDHM
C=C(C)CCOC(=O)C[N-]S(=O)(=O)c1ccc(Br)s1	ZINC000803327344	674235905	/nfs/dbraw/zinc/23/59/05/674235905.db2.gz	IQSIPTYXAPICCH-UHFFFAOYSA-N	-1	3	368.274	2.298	20	30		FEEDHM
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000183425016	327817058	/nfs/dbraw/zinc/81/70/58/327817058.db2.gz	BENCQNODECSUBR-UHFFFAOYSA-N	-1	3	368.393	2.376	20	30		FEEDHM
CCOc1ncccc1C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl	ZINC000183469703	327819743	/nfs/dbraw/zinc/81/97/43/327819743.db2.gz	XFXQGABIRXWISO-UHFFFAOYSA-N	-1	3	351.815	2.484	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(OC(C)C)nn1	ZINC000191304894	328259199	/nfs/dbraw/zinc/25/91/99/328259199.db2.gz	GSCKIMGTCRTDAW-UHFFFAOYSA-N	-1	3	355.398	2.012	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CCc2c1cccc2O	ZINC000102824463	325499418	/nfs/dbraw/zinc/49/94/18/325499418.db2.gz	OWHWZJXDYHJONX-KRWDZBQOSA-N	-1	3	351.406	2.305	20	30		FEEDHM
COc1cc(C#N)ccc1CN1CCN(C(=O)c2cccc([O-])c2)CC1	ZINC000121441603	326338730	/nfs/dbraw/zinc/33/87/30/326338730.db2.gz	MDNNJAWNFQSJEL-UHFFFAOYSA-N	-1	3	351.406	2.230	20	30		FEEDHM
COC(=O)[C@@H](C)[C@@H]([N-]S(=O)(=O)c1ccccc1C#N)c1ccccc1	ZINC000124434380	326453776	/nfs/dbraw/zinc/45/37/76/326453776.db2.gz	KKHRQZDTSWYHDW-SUMWQHHRSA-N	-1	3	358.419	2.387	20	30		FEEDHM
COc1cc(CN(C)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)ccc1O	ZINC000135352758	326639767	/nfs/dbraw/zinc/63/97/67/326639767.db2.gz	AXGGYHPSRNHOMU-UHFFFAOYSA-N	-1	3	369.421	2.169	20	30		FEEDHM
CS[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1	ZINC000157696104	326872379	/nfs/dbraw/zinc/87/23/79/326872379.db2.gz	NNFDGHPGJILXIN-MNOVXSKESA-N	-1	3	355.441	2.419	20	30		FEEDHM
N#Cc1ccc(OCC[N-]S(=O)(=O)Cc2c(F)cccc2F)cc1	ZINC000163749189	327057621	/nfs/dbraw/zinc/05/76/21/327057621.db2.gz	IOFMTYBBGDZFDD-UHFFFAOYSA-N	-1	3	352.362	2.335	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc([S@@](C)=O)cc1	ZINC000173094803	327235149	/nfs/dbraw/zinc/23/51/49/327235149.db2.gz	NZPJUPZHDYKAGV-RUZDIDTESA-N	-1	3	357.435	2.172	20	30		FEEDHM
COC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(C#N)o1)c1cccc(Cl)c1	ZINC000805022111	674313480	/nfs/dbraw/zinc/31/34/80/674313480.db2.gz	KDIVVKPWRHEAQQ-ZDUSSCGKSA-N	-1	3	368.798	2.387	20	30		FEEDHM
C=CCNS(=O)(=O)c1ccc(C(=O)N2CCCc3cccc([O-])c32)cc1	ZINC000155620654	545550131	/nfs/dbraw/zinc/55/01/31/545550131.db2.gz	STCXXLUHNNTXOY-UHFFFAOYSA-N	-1	3	372.446	2.450	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1ccnc(OC(C)C)c1	ZINC000157598415	545760302	/nfs/dbraw/zinc/76/03/02/545760302.db2.gz	GVPMPTYHPXZIBW-UHFFFAOYSA-N	-1	3	368.437	2.295	20	30		FEEDHM
COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H](C#N)C1CCCCC1	ZINC000161153432	546105289	/nfs/dbraw/zinc/10/52/89/546105289.db2.gz	IULKUPUTYCNKQX-ZDUSSCGKSA-N	-1	3	354.403	2.363	20	30		FEEDHM
C[C@H](C#N)CNC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1	ZINC000176475015	546450743	/nfs/dbraw/zinc/45/07/43/546450743.db2.gz	ZFLXLHQRGIHEKQ-SNVBAGLBSA-N	-1	3	356.423	2.184	20	30		FEEDHM
C[N-]S(=O)(=O)c1cc(C(=O)N(CCC#N)CC(C)(C)C)ccc1F	ZINC000177466332	546624789	/nfs/dbraw/zinc/62/47/89/546624789.db2.gz	PZEIANZEVHGKKY-UHFFFAOYSA-N	-1	3	355.435	2.136	20	30		FEEDHM
C=CCOC[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)OC	ZINC000481604013	561237189	/nfs/dbraw/zinc/23/71/89/561237189.db2.gz	JXVDBQDLUJXECJ-LBPRGKRZSA-N	-1	3	368.238	2.016	20	30		FEEDHM
Cc1nccn1CCCC[N-]S(=O)(=O)c1ccc(C#N)cc1Cl	ZINC000183730705	547708425	/nfs/dbraw/zinc/70/84/25/547708425.db2.gz	ZJPSGCAMAJWANC-UHFFFAOYSA-N	-1	3	352.847	2.475	20	30		FEEDHM
COc1ccccc1[C@@](N)(C(=O)[N-]CC(F)(F)C(F)F)C(F)(F)F	ZINC000485466847	561319844	/nfs/dbraw/zinc/31/98/44/561319844.db2.gz	QAKLNVHHMBMFGV-GFCCVEGCSA-N	-1	3	362.245	2.428	20	30		FEEDHM
C=C(C)C[C@@H](C)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1	ZINC000186085046	548082147	/nfs/dbraw/zinc/08/21/47/548082147.db2.gz	VXPQCZJGSJUQKI-SNVBAGLBSA-N	-1	3	350.893	2.398	20	30		FEEDHM
Cc1cccn2c1ncc(C([O-])=C(C#N)c1cnc3ccccc3n1)c2=O	ZINC000190884024	548336016	/nfs/dbraw/zinc/33/60/16/548336016.db2.gz	XWHJXNKGXNVCBE-CYBMUJFWSA-N	-1	3	355.357	2.436	20	30		FEEDHM
COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)cn1C	ZINC000486512110	561349525	/nfs/dbraw/zinc/34/95/25/561349525.db2.gz	XOWDFECFQRTZKY-UHFFFAOYSA-N	-1	3	353.787	2.138	20	30		FEEDHM
CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)CSCC#N	ZINC000264275801	549993939	/nfs/dbraw/zinc/99/39/39/549993939.db2.gz	OIHMXDYWMMBZJZ-UHFFFAOYSA-N	-1	3	367.374	2.272	20	30		FEEDHM
C=CCCOCCNC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O	ZINC000270311910	550260849	/nfs/dbraw/zinc/26/08/49/550260849.db2.gz	YZBVWKWLSHGBHJ-UHFFFAOYSA-N	-1	3	356.426	2.194	20	30		FEEDHM
Cc1ncc(CO)c(/C=N/C[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1[O-]	ZINC000270420853	550270653	/nfs/dbraw/zinc/27/06/53/550270653.db2.gz	LBTPDNMJKDPNAQ-CTJICSLTSA-N	-1	3	353.422	2.056	20	30		FEEDHM
Cc1ncc(CO)c(/C=N/c2ccc(CN3C(=O)CCCC3=O)cc2)c1[O-]	ZINC000273639523	550506481	/nfs/dbraw/zinc/50/64/81/550506481.db2.gz	CNDVPJPRNMPVPJ-LSHDLFTRSA-N	-1	3	367.405	2.378	20	30		FEEDHM
COC(=O)c1ccsc1[N-]C(=O)C(=O)N(CCC#N)CCC(C)C	ZINC000276034714	550576197	/nfs/dbraw/zinc/57/61/97/550576197.db2.gz	QWRZDANYULWOMX-UHFFFAOYSA-N	-1	3	351.428	2.262	20	30		FEEDHM
O=C(CCOCC(F)(F)C(F)(F)F)Nc1nnc(C(F)(F)F)[n-]1	ZINC000276905316	550609553	/nfs/dbraw/zinc/60/95/53/550609553.db2.gz	VOKASOONRUAVEE-UHFFFAOYSA-N	-1	3	356.173	2.366	20	30		FEEDHM
O=C(CCOCC(F)(F)C(F)(F)F)Nc1nc(C(F)(F)F)n[n-]1	ZINC000276905316	550609555	/nfs/dbraw/zinc/60/95/55/550609555.db2.gz	VOKASOONRUAVEE-UHFFFAOYSA-N	-1	3	356.173	2.366	20	30		FEEDHM
Cc1ncc(CO)c(/C=N/C[C@@H]2CN(Cc3ccccc3)CCCO2)c1[O-]	ZINC000277519290	550680070	/nfs/dbraw/zinc/68/00/70/550680070.db2.gz	VAAXLJTYBNMBAY-VVJWVBNBSA-N	-1	3	369.465	2.298	20	30		FEEDHM
C=C(C)[C@H](CC(=O)N1CCC(c2nnc(C(=O)OCC)[n-]2)CC1)OCC	ZINC000277716181	550705524	/nfs/dbraw/zinc/70/55/24/550705524.db2.gz	NCLROGFMJPFURU-AWEZNQCLSA-N	-1	3	364.446	2.059	20	30		FEEDHM
C=C(C)[C@H](CC(=O)N1CCC(c2n[n-]c(C(=O)OCC)n2)CC1)OCC	ZINC000277716181	550705526	/nfs/dbraw/zinc/70/55/26/550705526.db2.gz	NCLROGFMJPFURU-AWEZNQCLSA-N	-1	3	364.446	2.059	20	30		FEEDHM
Cc1nc(Cn2cc(C(=O)[N-]c3sc4c(c3C#N)CCCC4)nn2)no1	ZINC000278212601	550761387	/nfs/dbraw/zinc/76/13/87/550761387.db2.gz	ICUVVSTWCGZJMP-UHFFFAOYSA-N	-1	3	369.410	2.082	20	30		FEEDHM
C=C(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1c(C)csc1C(=O)OC	ZINC000280491528	550999765	/nfs/dbraw/zinc/99/97/65/550999765.db2.gz	BEDLEKQXHRVHEH-NWDGAFQWSA-N	-1	3	359.469	2.103	20	30		FEEDHM
N#Cc1ccccc1OCCN1CCC(C[N-]C(=O)C(F)(F)F)CC1	ZINC000281523623	551108984	/nfs/dbraw/zinc/10/89/84/551108984.db2.gz	ZOADDKYGNQNOKI-UHFFFAOYSA-N	-1	3	355.360	2.328	20	30		FEEDHM
N#CC1(CCCN2CCN(C(=O)c3cccc([O-])c3)CC2)CCOCC1	ZINC000282134181	551185041	/nfs/dbraw/zinc/18/50/41/551185041.db2.gz	YZSVUTFAQAWICU-UHFFFAOYSA-N	-1	3	357.454	2.251	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1C#N)[C@@H]1CCCO1	ZINC000283587457	551392130	/nfs/dbraw/zinc/39/21/30/551392130.db2.gz	RTNSBUUDGOSICT-SKDRFNHKSA-N	-1	3	359.245	2.167	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)c1cccc(Br)c1C#N)[C@H]1CCCO1	ZINC000283587453	551392313	/nfs/dbraw/zinc/39/23/13/551392313.db2.gz	RTNSBUUDGOSICT-JOYOIKCWSA-N	-1	3	359.245	2.167	20	30		FEEDHM
CC(C)[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)c1nncn1C	ZINC000285409332	551751858	/nfs/dbraw/zinc/75/18/58/551751858.db2.gz	UUHPYJLFWAWXIR-ZDUSSCGKSA-N	-1	3	353.835	2.016	20	30		FEEDHM
CC(C)(CCO)C[N-]S(=O)(=O)c1cccc(Br)c1C#N	ZINC000288347440	552137841	/nfs/dbraw/zinc/13/78/41/552137841.db2.gz	XZHSCWJRGNLUCE-UHFFFAOYSA-N	-1	3	361.261	2.008	20	30		FEEDHM
N#Cc1cc(F)ccc1S(=O)(=O)[N-]C[C@@]1(CO)C[C@H]1c1ccccc1	ZINC000290305024	552457134	/nfs/dbraw/zinc/45/71/34/552457134.db2.gz	XTKHHALNNDOBHK-FUHWJXTLSA-N	-1	3	360.410	2.142	20	30		FEEDHM
CNc1ccc(C#N)cc1[N-]S(=O)(=O)CC1(C(=O)OC)CCCC1	ZINC000290552390	552497004	/nfs/dbraw/zinc/49/70/04/552497004.db2.gz	QPLWBPHDSIZFIG-UHFFFAOYSA-N	-1	3	351.428	2.075	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]c2cc([C@H]3CCCOC3)n[nH]2)cc1F	ZINC000291806458	552663538	/nfs/dbraw/zinc/66/35/38/552663538.db2.gz	BYTCULFBMHYHRC-NSHDSACASA-N	-1	3	350.375	2.115	20	30		FEEDHM
CC[C@H]([N-]S(=O)(=O)c1cccc(Br)c1C#N)C(C)(C)O	ZINC000293703164	552848622	/nfs/dbraw/zinc/84/86/22/552848622.db2.gz	DASMVCUCQPTHMW-LBPRGKRZSA-N	-1	3	361.261	2.149	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)c1ccc(C#N)cc1	ZINC000294245432	552890708	/nfs/dbraw/zinc/89/07/08/552890708.db2.gz	WGESWBAOIIKCAN-VIFPVBQESA-N	-1	3	358.345	2.350	20	30		FEEDHM
CCN(CC)[C@H](C[N-]S(=O)(=O)c1cccnc1C#N)c1ccccc1	ZINC000328020498	553793000	/nfs/dbraw/zinc/79/30/00/553793000.db2.gz	TXUMLMFYBLXHJL-QGZVFWFLSA-N	-1	3	358.467	2.315	20	30		FEEDHM
O=C(Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)[C@@H]1CCNC(=O)C1	ZINC000328705212	553810179	/nfs/dbraw/zinc/81/01/79/553810179.db2.gz	YQTOCLPEDSFKSX-SECBINFHSA-N	-1	3	355.391	2.221	20	30		FEEDHM
O=C(CCC(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1)NC1CCCC1	ZINC000328754945	553816792	/nfs/dbraw/zinc/81/67/92/553816792.db2.gz	DXRQILHKOOPKAK-UHFFFAOYSA-N	-1	3	373.453	2.356	20	30		FEEDHM
Cn1ncc2c1CCC[C@@H]2NC(=O)N1CCC[C@@H]1C[C@]1(C)NC(=O)[N-]C1=O	ZINC000329228809	553907014	/nfs/dbraw/zinc/90/70/14/553907014.db2.gz	CAJLWVRIILZLCC-YNKQFZHNSA-N	-1	3	374.445	2.209	20	30		FEEDHM
Cn1ncc2c1CCC[C@@H]2NC(=O)N1CCC[C@@H]1C[C@@]1(C)NC(=O)[N-]C1=O	ZINC000329228807	553907065	/nfs/dbraw/zinc/90/70/65/553907065.db2.gz	CAJLWVRIILZLCC-SUFBMKPHSA-N	-1	3	374.445	2.209	20	30		FEEDHM
C[C@@H]1CN(C(C)(C)CNC(=O)c2csc(=NC3CC3)[n-]2)C[C@H](C)O1	ZINC000329418295	553942956	/nfs/dbraw/zinc/94/29/56/553942956.db2.gz	DROGNPIWLSQHOI-TXEJJXNPSA-N	-1	3	352.504	2.910	20	30		FEEDHM
N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H]1CCOC2(CCOCC2)C1	ZINC000331391395	554256279	/nfs/dbraw/zinc/25/62/79/554256279.db2.gz	JJXALJWAKYLZGY-LBPRGKRZSA-N	-1	3	370.858	2.218	20	30		FEEDHM
N#CC1(C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2[O-])CCCCC1	ZINC000332442935	554446905	/nfs/dbraw/zinc/44/69/05/554446905.db2.gz	XIKVICOJRGRZPO-UHFFFAOYSA-N	-1	3	363.439	2.345	20	30		FEEDHM
CC(C)(C(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1cc(F)cc(C#N)c1	ZINC000510211163	561828519	/nfs/dbraw/zinc/82/85/19/561828519.db2.gz	KPPMKKUGHVPUGG-UHFFFAOYSA-N	-1	3	364.384	2.471	20	30		FEEDHM
CC(C)(C(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1cc(F)cc(C#N)c1	ZINC000510211163	561828520	/nfs/dbraw/zinc/82/85/20/561828520.db2.gz	KPPMKKUGHVPUGG-UHFFFAOYSA-N	-1	3	364.384	2.471	20	30		FEEDHM
C=CCN(C)C(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl	ZINC000510332328	561831721	/nfs/dbraw/zinc/83/17/21/561831721.db2.gz	IZZRIEJLTHDRIP-UHFFFAOYSA-N	-1	3	366.270	2.099	20	30		FEEDHM
C[C@@H](C#N)CN(C)C(=O)c1sccc1S(=O)(=O)[N-]Cc1ccco1	ZINC000510850307	561848462	/nfs/dbraw/zinc/84/84/62/561848462.db2.gz	CWKZCJPHFXLEMU-NSHDSACASA-N	-1	3	367.452	2.051	20	30		FEEDHM
COC(=O)[C@@H]1CCCCCN1C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C	ZINC000364703905	555379414	/nfs/dbraw/zinc/37/94/14/555379414.db2.gz	RMBJWAOREQCRBU-INIZCTEOSA-N	-1	3	359.426	2.153	20	30		FEEDHM
Cc1cc(S(=O)(=O)[N-]c2ccn(C3CCN(C)CC3)n2)ccc1C#N	ZINC000369678388	556666323	/nfs/dbraw/zinc/66/63/23/556666323.db2.gz	CKNJBYZLUWGHMW-UHFFFAOYSA-N	-1	3	359.455	2.131	20	30		FEEDHM
Cc1cccc(C)c1NC(=O)C[N-]S(=O)(=O)c1ccc(C#N)cc1F	ZINC000518843139	562119664	/nfs/dbraw/zinc/11/96/64/562119664.db2.gz	XDVJUBXETXNHSE-UHFFFAOYSA-N	-1	3	361.398	2.231	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]C2CCN(c3nccs3)CC2)s1	ZINC000374279070	557857127	/nfs/dbraw/zinc/85/71/27/557857127.db2.gz	IYKYNMGUSAQETE-UHFFFAOYSA-N	-1	3	354.482	2.024	20	30		FEEDHM
CS(=O)(=O)[N-]c1c[nH]nc1[C@H]1CCCN(CC#Cc2ccccc2)C1	ZINC000375457839	558030575	/nfs/dbraw/zinc/03/05/75/558030575.db2.gz	NPTJTTFDLJMZKH-INIZCTEOSA-N	-1	3	358.467	2.012	20	30		FEEDHM
Cc1cc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)nn1-c1cccc(C#N)c1	ZINC000375925125	558100676	/nfs/dbraw/zinc/10/06/76/558100676.db2.gz	QYLODNKNYPFHRE-GFCCVEGCSA-N	-1	3	363.299	2.430	20	30		FEEDHM
C=CCC1(C(=O)N2CCC[C@H](c3n[nH]cc3[N-]S(C)(=O)=O)C2)CCC1	ZINC000377267487	558301995	/nfs/dbraw/zinc/30/19/95/558301995.db2.gz	PVNUAZXVJXUHNX-ZDUSSCGKSA-N	-1	3	366.487	2.234	20	30		FEEDHM
C=CCC1(C(=O)N2CCC[C@H](c3[nH]ncc3[N-]S(C)(=O)=O)C2)CCC1	ZINC000377267487	558301997	/nfs/dbraw/zinc/30/19/97/558301997.db2.gz	PVNUAZXVJXUHNX-ZDUSSCGKSA-N	-1	3	366.487	2.234	20	30		FEEDHM
N#Cc1cccc(CC[N-]S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)c1	ZINC000522043632	562190086	/nfs/dbraw/zinc/19/00/86/562190086.db2.gz	NOPNHTFWMYRROH-UHFFFAOYSA-N	-1	3	373.409	2.103	20	30		FEEDHM
N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](CO)Cc2ccccc2)c1	ZINC000390839219	558612661	/nfs/dbraw/zinc/61/26/61/558612661.db2.gz	BURPUFGIGLQMBM-AWEZNQCLSA-N	-1	3	350.827	2.094	20	30		FEEDHM
C=CCN(CC=C)[C@@H](CNC(=O)c1c[n-]c2ccncc2c1=O)C(C)C	ZINC000411370024	558886073	/nfs/dbraw/zinc/88/60/73/558886073.db2.gz	SBLNQDHLQBWYIQ-SFHVURJKSA-N	-1	3	354.454	2.352	20	30		FEEDHM
N#Cc1cccnc1OC1CCC(NC(=O)c2c([O-])cccc2O)CC1	ZINC000525876557	562258203	/nfs/dbraw/zinc/25/82/03/562258203.db2.gz	GLNSTISYQOMNSJ-UHFFFAOYSA-N	-1	3	353.378	2.484	20	30		FEEDHM
CCNc1ccc(C#N)cc1[N-]S(=O)(=O)C1(CC(=O)OCC)CC1	ZINC000414373997	559159205	/nfs/dbraw/zinc/15/92/05/559159205.db2.gz	NGESKXCJAKGKFV-UHFFFAOYSA-N	-1	3	351.428	2.218	20	30		FEEDHM
CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1cc([O-])ccc1C(F)(F)F	ZINC000527251342	562282259	/nfs/dbraw/zinc/28/22/59/562282259.db2.gz	JOPNLUPUPSIBJQ-UHFFFAOYSA-N	-1	3	367.331	2.293	20	30		FEEDHM
N#Cc1ccc(Br)cc1S(=O)(=O)[N-][C@H]1CCC[C@@H]1CCO	ZINC000416469705	559315620	/nfs/dbraw/zinc/31/56/20/559315620.db2.gz	DUCQREVXNPFABY-MFKMUULPSA-N	-1	3	373.272	2.150	20	30		FEEDHM
C[C@H]1COCC[C@@H]1[N-]S(=O)(=O)c1cc(Br)ccc1C#N	ZINC000416471150	559315732	/nfs/dbraw/zinc/31/57/32/559315732.db2.gz	OTEJKVLPGVJNDR-CABZTGNLSA-N	-1	3	359.245	2.024	20	30		FEEDHM
CN(C)C1(C[N-]S(=O)(=O)c2cc(Br)ccc2C#N)CCC1	ZINC000416476733	559316046	/nfs/dbraw/zinc/31/60/46/559316046.db2.gz	YZICWTMEWHDWDH-UHFFFAOYSA-N	-1	3	372.288	2.083	20	30		FEEDHM
C[C@@H]1CCC[C@@]1(O)C[N-]S(=O)(=O)c1cc(Br)ccc1C#N	ZINC000416487436	559316914	/nfs/dbraw/zinc/31/69/14/559316914.db2.gz	JKWDYTHEXUENMM-QMTHXVAHSA-N	-1	3	373.272	2.150	20	30		FEEDHM
C=C[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000416492366	559317217	/nfs/dbraw/zinc/31/72/17/559317217.db2.gz	CXLDPACDSMGKPT-KOLCDFICSA-N	-1	3	366.317	2.235	20	30		FEEDHM
C[C@@H](CCCCO)[N-]S(=O)(=O)c1cc(Br)ccc1C#N	ZINC000416493640	559317406	/nfs/dbraw/zinc/31/74/06/559317406.db2.gz	HWPUGEJKVKFRID-JTQLQIEISA-N	-1	3	361.261	2.150	20	30		FEEDHM
N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H]1CCCC(F)(F)[C@@H]1O	ZINC000416621006	559325724	/nfs/dbraw/zinc/32/57/24/559325724.db2.gz	IDCVKWYQUZUICO-CMPLNLGQSA-N	-1	3	350.774	2.039	20	30		FEEDHM
Cc1ncc(S(=O)(=O)[N-]c2ccc(OCCN(C)C)cc2)cc1C#N	ZINC000427314308	559752978	/nfs/dbraw/zinc/75/29/78/559752978.db2.gz	JEFIPTVHZUVOGS-UHFFFAOYSA-N	-1	3	360.439	2.003	20	30		FEEDHM
Cc1cc(C)n(-c2ccccc2C[N-]S(=O)(=O)c2cccnc2C#N)n1	ZINC000428376295	559774205	/nfs/dbraw/zinc/77/42/05/559774205.db2.gz	VGJONJDYMWOKTM-UHFFFAOYSA-N	-1	3	367.434	2.234	20	30		FEEDHM
COc1ccc(OC(F)F)c(C[N-]S(=O)(=O)c2cccnc2C#N)c1	ZINC000428408152	559774906	/nfs/dbraw/zinc/77/49/06/559774906.db2.gz	JPHSOYKUTQEXQC-UHFFFAOYSA-N	-1	3	369.349	2.042	20	30		FEEDHM
Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccc(S(C)(=O)=O)cc3)nc1-2	ZINC000429597474	559802143	/nfs/dbraw/zinc/80/21/43/559802143.db2.gz	LFQQEHJGDSNFBB-ZDUSSCGKSA-N	-1	3	354.391	2.160	20	30		FEEDHM
C=CCn1c(=O)[n-]nc1S(=O)(=O)Cc1csc(-c2cccs2)n1	ZINC000429911353	559808541	/nfs/dbraw/zinc/80/85/41/559808541.db2.gz	SFPDJMLLCGJNGS-UHFFFAOYSA-N	-1	3	368.465	2.329	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]CC2CCN(CC(F)(F)F)CC2)s1	ZINC000435439087	559923270	/nfs/dbraw/zinc/92/32/70/559923270.db2.gz	RCYVQQHSXHPGCZ-UHFFFAOYSA-N	-1	3	367.418	2.172	20	30		FEEDHM
COC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(C#N)s1)C1CCCCC1	ZINC000435443239	559923379	/nfs/dbraw/zinc/92/33/79/559923379.db2.gz	MTUIVNCPJJWLNM-ZDUSSCGKSA-N	-1	3	356.469	2.410	20	30		FEEDHM
N#Cc1cc(C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)ccc1F	ZINC000436751690	559951055	/nfs/dbraw/zinc/95/10/55/559951055.db2.gz	MYSZGKYGJZHDQB-UHFFFAOYSA-N	-1	3	353.353	2.001	20	30		FEEDHM
N#Cc1ccc(CNCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)cc1	ZINC000441375293	560030229	/nfs/dbraw/zinc/03/02/29/560030229.db2.gz	HTRNMPVLOORUMS-UHFFFAOYSA-N	-1	3	367.833	2.419	20	30		FEEDHM
CCC[C@H](C#N)NC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1	ZINC000527453947	562288479	/nfs/dbraw/zinc/28/84/79/562288479.db2.gz	SKTRKVRCNXRTDS-LLVKDONJSA-N	-1	3	363.361	2.499	20	30		FEEDHM
C[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1C#N)N1CCc2ccccc21	ZINC000443027218	560066784	/nfs/dbraw/zinc/06/67/84/560066784.db2.gz	MWUMWGGFKMSYAF-CYBMUJFWSA-N	-1	3	359.426	2.427	20	30		FEEDHM
COC(=O)c1ccc(S(=O)(=O)[N-][C@]2(C#N)CCC[C@@H](C)C2)cc1F	ZINC000446749388	560151107	/nfs/dbraw/zinc/15/11/07/560151107.db2.gz	ALXSYLWITZDUCH-BDJLRTHQSA-N	-1	3	354.403	2.363	20	30		FEEDHM
CC[C@]([N-]S(=O)(=O)CC1(CC#N)CC1)(C(=O)OC)c1ccccc1	ZINC000451177780	560291546	/nfs/dbraw/zinc/29/15/46/560291546.db2.gz	XGXQMGVWNBQCBZ-QGZVFWFLSA-N	-1	3	350.440	2.078	20	30		FEEDHM
CC(C)[C@H]1C[C@H](C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CCO1	ZINC000451818014	560330510	/nfs/dbraw/zinc/33/05/10/560330510.db2.gz	NHNHVELBXVCJIQ-IUODEOHRSA-N	-1	3	367.427	2.196	20	30		FEEDHM
CC(C)OC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C(C)C	ZINC000451837545	560331638	/nfs/dbraw/zinc/33/16/38/560331638.db2.gz	MDBSHCPENVCCQU-AWEZNQCLSA-N	-1	3	358.847	2.466	20	30		FEEDHM
CN(CCC#N)S(=O)(=O)[N-][C@@H](CCC(C)(C)C)C(=O)OC(C)(C)C	ZINC000451907620	560336461	/nfs/dbraw/zinc/33/64/61/560336461.db2.gz	XODBDFSZCHREKD-ZDUSSCGKSA-N	-1	3	361.508	2.203	20	30		FEEDHM
C=CCC[C@@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])C(=O)OCC	ZINC000451987265	560342719	/nfs/dbraw/zinc/34/27/19/560342719.db2.gz	GGXSFMQOQLAZOM-GFCCVEGCSA-N	-1	3	356.400	2.079	20	30		FEEDHM
C=C(CC)CNC(=O)NCc1cccc(-c2nnc(C(=O)OCC)[n-]2)c1	ZINC000459079495	560665599	/nfs/dbraw/zinc/66/55/99/560665599.db2.gz	CTDBGZNRFMYFCS-UHFFFAOYSA-N	-1	3	357.414	2.414	20	30		FEEDHM
C=C(CC)CNC(=O)NCc1cccc(-c2n[n-]c(C(=O)OCC)n2)c1	ZINC000459079495	560665600	/nfs/dbraw/zinc/66/56/00/560665600.db2.gz	CTDBGZNRFMYFCS-UHFFFAOYSA-N	-1	3	357.414	2.414	20	30		FEEDHM
CC(C)[C@H](C#N)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F	ZINC000463465245	560816056	/nfs/dbraw/zinc/81/60/56/560816056.db2.gz	VRPCQIJXJPPRTK-JTQLQIEISA-N	-1	3	351.306	2.440	20	30		FEEDHM
C=C[C@@H](C)NC(=O)C(=O)[N-]c1sc2c(c1C(=O)OCC)CCSC2	ZINC000465347030	560863794	/nfs/dbraw/zinc/86/37/94/560863794.db2.gz	TWMPJBYAGGNYBT-SECBINFHSA-N	-1	3	368.480	2.343	20	30		FEEDHM
N#Cc1ccc(Oc2cccc(NC(=O)c3[nH]c(=O)[n-]c(=O)c3N)c2)cc1	ZINC000469103048	560947321	/nfs/dbraw/zinc/94/73/21/560947321.db2.gz	XJYIVMSEIGPDFC-UHFFFAOYSA-N	-1	3	363.333	2.386	20	30		FEEDHM
C=CCN(Cc1ccc(OC)cc1)C(=O)CNC(=O)c1cccc([O-])c1	ZINC000471412702	561004177	/nfs/dbraw/zinc/00/41/77/561004177.db2.gz	SVGNTNJPOUBCAI-UHFFFAOYSA-N	-1	3	354.406	2.345	20	30		FEEDHM
COC(=O)CC1(C[N-]S(=O)(=O)c2ccc(F)cc2C#N)CCCCC1	ZINC000472696143	561033184	/nfs/dbraw/zinc/03/31/84/561033184.db2.gz	DIFJKTIFWKRVGA-UHFFFAOYSA-N	-1	3	368.430	2.489	20	30		FEEDHM
COCc1nc(S[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)n[n-]1	ZINC000474399256	561073249	/nfs/dbraw/zinc/07/32/49/561073249.db2.gz	YKNYGDXLJSINNT-BWBHSNQOSA-N	-1	3	351.476	2.363	20	30		FEEDHM
COC1(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CCCCC1	ZINC000476216002	561113421	/nfs/dbraw/zinc/11/34/21/561113421.db2.gz	JGARHLLZUKHCJA-UHFFFAOYSA-N	-1	3	353.400	2.094	20	30		FEEDHM
C=C[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1c(OC)cccc1OC(F)(F)F	ZINC000528406243	562327443	/nfs/dbraw/zinc/32/74/43/562327443.db2.gz	ANDZFBPZUGENIC-ZJUUUORDSA-N	-1	3	367.345	2.216	20	30		FEEDHM
CN(CC[N-]S(=O)(=O)c1ccc(C#N)cc1F)Cc1ccc(F)cc1	ZINC000530903751	562428010	/nfs/dbraw/zinc/42/80/10/562428010.db2.gz	DXKPZMHAQAXRBL-UHFFFAOYSA-N	-1	3	365.405	2.247	20	30		FEEDHM
Cc1cc(C#N)ccc1C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1[O-]	ZINC000533513014	562511164	/nfs/dbraw/zinc/51/11/64/562511164.db2.gz	RSDLHQSJRAWPJW-UHFFFAOYSA-N	-1	3	371.418	2.365	20	30		FEEDHM
CCC[C@H](C#N)[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1	ZINC000533550006	562512643	/nfs/dbraw/zinc/51/26/43/562512643.db2.gz	QLKZDKJLLDDGTG-SECBINFHSA-N	-1	3	362.205	2.328	20	30		FEEDHM
COC(=O)c1sc2[n-]c(CN(C)[C@@H]3CCC[C@H]3C#N)nc(=O)c2c1C	ZINC000602977509	568036311	/nfs/dbraw/zinc/03/63/11/568036311.db2.gz	CDQUVTRVOQUXLR-WDEREUQCSA-N	-1	3	360.439	2.204	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccc(OC(F)F)cc1	ZINC000569640838	568407144	/nfs/dbraw/zinc/40/71/44/568407144.db2.gz	KUJXENZOYSBDDG-QWHCGFSZSA-N	-1	3	365.361	2.389	20	30		FEEDHM
N#Cc1cc(NC(=O)Cc2ccc(-n3cccn3)cc2)ccc1-c1nnn[n-]1	ZINC000737710218	598914386	/nfs/dbraw/zinc/91/43/86/598914386.db2.gz	VMOCJGOYDPMPBG-UHFFFAOYSA-N	-1	3	370.376	2.105	20	30		FEEDHM
N#Cc1cc(NC(=O)Cc2ccc(-n3cccn3)cc2)ccc1-c1nn[n-]n1	ZINC000737710218	598914388	/nfs/dbraw/zinc/91/43/88/598914388.db2.gz	VMOCJGOYDPMPBG-UHFFFAOYSA-N	-1	3	370.376	2.105	20	30		FEEDHM
C=CC(=O)Nc1ccc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1	ZINC000735402725	598916492	/nfs/dbraw/zinc/91/64/92/598916492.db2.gz	IHAGVTQEPFOHLE-UHFFFAOYSA-N	-1	3	359.349	2.115	20	30		FEEDHM
C=CC(=O)Nc1ccc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1	ZINC000735402725	598916493	/nfs/dbraw/zinc/91/64/93/598916493.db2.gz	IHAGVTQEPFOHLE-UHFFFAOYSA-N	-1	3	359.349	2.115	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1-c1nnn[n-]1	ZINC000737719543	598921834	/nfs/dbraw/zinc/92/18/34/598921834.db2.gz	RUTGNXQXAXJZNM-UHFFFAOYSA-N	-1	3	373.376	2.339	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1-c1nn[n-]n1	ZINC000737719543	598921836	/nfs/dbraw/zinc/92/18/36/598921836.db2.gz	RUTGNXQXAXJZNM-UHFFFAOYSA-N	-1	3	373.376	2.339	20	30		FEEDHM
Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N[C@@H](C)c1ccc(C#N)cc1	ZINC000737223563	598998970	/nfs/dbraw/zinc/99/89/70/598998970.db2.gz	IPRWKEYPAVEJMZ-LBPRGKRZSA-N	-1	3	368.422	2.086	20	30		FEEDHM
Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N[C@@H](C)c1ccc(C#N)cc1	ZINC000737223563	598998972	/nfs/dbraw/zinc/99/89/72/598998972.db2.gz	IPRWKEYPAVEJMZ-LBPRGKRZSA-N	-1	3	368.422	2.086	20	30		FEEDHM
C#CCOc1cc(F)ccc1NC(=O)Cc1ccc(-c2nnn[n-]2)cc1	ZINC000735380258	599092529	/nfs/dbraw/zinc/09/25/29/599092529.db2.gz	HKPCYYRXQSSOTL-UHFFFAOYSA-N	-1	3	351.341	2.199	20	30		FEEDHM
C#CCOc1cc(F)ccc1NC(=O)Cc1ccc(-c2nn[n-]n2)cc1	ZINC000735380258	599092532	/nfs/dbraw/zinc/09/25/32/599092532.db2.gz	HKPCYYRXQSSOTL-UHFFFAOYSA-N	-1	3	351.341	2.199	20	30		FEEDHM
N#Cc1ccc(S[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)c(F)c1	ZINC000737723032	599167389	/nfs/dbraw/zinc/16/73/89/599167389.db2.gz	NRIHWZMZTBSBGF-AWEZNQCLSA-N	-1	3	354.370	2.196	20	30		FEEDHM
N#Cc1ccc(S[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)c(F)c1	ZINC000737723032	599167391	/nfs/dbraw/zinc/16/73/91/599167391.db2.gz	NRIHWZMZTBSBGF-AWEZNQCLSA-N	-1	3	354.370	2.196	20	30		FEEDHM
C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@]1(C#N)CCC[C@@H](C)C1	ZINC000736245753	599201985	/nfs/dbraw/zinc/20/19/85/599201985.db2.gz	WEIJLGOUHSKNLI-SNUQEOBHSA-N	-1	3	354.414	2.223	20	30		FEEDHM
C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@]1(C#N)CCC[C@@H](C)C1	ZINC000736245753	599201987	/nfs/dbraw/zinc/20/19/87/599201987.db2.gz	WEIJLGOUHSKNLI-SNUQEOBHSA-N	-1	3	354.414	2.223	20	30		FEEDHM
C=CCOc1ccc(OC(=O)COc2ccccc2-c2nnn[n-]2)cc1	ZINC000819759068	599203720	/nfs/dbraw/zinc/20/37/20/599203720.db2.gz	NFEWNHNTCKXLIH-UHFFFAOYSA-N	-1	3	352.350	2.416	20	30		FEEDHM
C=CCOc1ccc(OC(=O)COc2ccccc2-c2nn[n-]n2)cc1	ZINC000819759068	599203722	/nfs/dbraw/zinc/20/37/22/599203722.db2.gz	NFEWNHNTCKXLIH-UHFFFAOYSA-N	-1	3	352.350	2.416	20	30		FEEDHM
N#CCCN(CCC(=O)Nc1sccc1-c1nnn[n-]1)Cc1ccco1	ZINC000737687881	599241903	/nfs/dbraw/zinc/24/19/03/599241903.db2.gz	WQDCACHLILTCOE-UHFFFAOYSA-N	-1	3	371.426	2.266	20	30		FEEDHM
N#CCCN(CCC(=O)Nc1sccc1-c1nn[n-]n1)Cc1ccco1	ZINC000737687881	599241906	/nfs/dbraw/zinc/24/19/06/599241906.db2.gz	WQDCACHLILTCOE-UHFFFAOYSA-N	-1	3	371.426	2.266	20	30		FEEDHM
O=C(Nc1cccc(C#Cc2ccccn2)c1)c1ccc(-c2nnn[n-]2)cn1	ZINC000738177721	598441240	/nfs/dbraw/zinc/44/12/40/598441240.db2.gz	DHDUYMQUJKAFBN-UHFFFAOYSA-N	-1	3	367.372	2.309	20	30		FEEDHM
O=C(Nc1cccc(C#Cc2ccccn2)c1)c1ccc(-c2nn[n-]n2)cn1	ZINC000738177721	598441242	/nfs/dbraw/zinc/44/12/42/598441242.db2.gz	DHDUYMQUJKAFBN-UHFFFAOYSA-N	-1	3	367.372	2.309	20	30		FEEDHM
N#Cc1ccc(N2CCC[C@H]2C(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1	ZINC000609521393	598576746	/nfs/dbraw/zinc/57/67/46/598576746.db2.gz	ZJXJRLHLLFXITC-SFHVURJKSA-N	-1	3	373.420	2.024	20	30		FEEDHM
N#Cc1ccc(N2CCC[C@H]2C(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1	ZINC000609521393	598576747	/nfs/dbraw/zinc/57/67/47/598576747.db2.gz	ZJXJRLHLLFXITC-SFHVURJKSA-N	-1	3	373.420	2.024	20	30		FEEDHM
C#Cc1cccc(N(C)C(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)c1	ZINC000735389753	598659993	/nfs/dbraw/zinc/65/99/93/598659993.db2.gz	IESFQINYHMCWOD-LJQANCHMSA-N	-1	3	372.432	2.480	20	30		FEEDHM
CCN(C[C@@H](C)C#N)C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1	ZINC000736511209	598684457	/nfs/dbraw/zinc/68/44/57/598684457.db2.gz	BHSLQKXGBUZBRV-AWEZNQCLSA-N	-1	3	356.430	2.424	20	30		FEEDHM
CCN(C[C@@H](C)C#N)C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1	ZINC000736511209	598684458	/nfs/dbraw/zinc/68/44/58/598684458.db2.gz	BHSLQKXGBUZBRV-AWEZNQCLSA-N	-1	3	356.430	2.424	20	30		FEEDHM
N#Cc1ccc(-c2ccn(CC(=O)Nc3ccc(-c4nnn[n-]4)cc3)n2)cc1	ZINC000737708379	598723278	/nfs/dbraw/zinc/72/32/78/598723278.db2.gz	CWBPZVKSAHRHAO-UHFFFAOYSA-N	-1	3	370.376	2.241	20	30		FEEDHM
N#Cc1ccc(-c2ccn(CC(=O)Nc3ccc(-c4nn[n-]n4)cc3)n2)cc1	ZINC000737708379	598723279	/nfs/dbraw/zinc/72/32/79/598723279.db2.gz	CWBPZVKSAHRHAO-UHFFFAOYSA-N	-1	3	370.376	2.241	20	30		FEEDHM
Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N[C@@H](C)c1cccc(C#N)c1	ZINC000822151256	599323728	/nfs/dbraw/zinc/32/37/28/599323728.db2.gz	AGQMVACYJXBMTC-LBPRGKRZSA-N	-1	3	368.422	2.086	20	30		FEEDHM
Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N[C@@H](C)c1cccc(C#N)c1	ZINC000822151256	599323730	/nfs/dbraw/zinc/32/37/30/599323730.db2.gz	AGQMVACYJXBMTC-LBPRGKRZSA-N	-1	3	368.422	2.086	20	30		FEEDHM
Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N[C@H](C)c1cccc(C#N)c1	ZINC000822223583	599326301	/nfs/dbraw/zinc/32/63/01/599326301.db2.gz	CEBDRLOUPGXDOG-GFCCVEGCSA-N	-1	3	368.422	2.086	20	30		FEEDHM
Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N[C@H](C)c1cccc(C#N)c1	ZINC000822223583	599326303	/nfs/dbraw/zinc/32/63/03/599326303.db2.gz	CEBDRLOUPGXDOG-GFCCVEGCSA-N	-1	3	368.422	2.086	20	30		FEEDHM
Cc1cc(C#N)cc(C)c1OS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1	ZINC000822159606	599360093	/nfs/dbraw/zinc/36/00/93/599360093.db2.gz	BPQXBRNBVNGOBV-UHFFFAOYSA-N	-1	3	369.406	2.264	20	30		FEEDHM
Cc1cc(C#N)cc(C)c1OS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1	ZINC000822159606	599360096	/nfs/dbraw/zinc/36/00/96/599360096.db2.gz	BPQXBRNBVNGOBV-UHFFFAOYSA-N	-1	3	369.406	2.264	20	30		FEEDHM
CC[C@H](C#N)Oc1cc(CNCc2ccc(-c3nnn[n-]3)o2)ccc1OC	ZINC000820843321	599436053	/nfs/dbraw/zinc/43/60/53/599436053.db2.gz	WLLZKABAQHRIBU-CYBMUJFWSA-N	-1	3	368.397	2.439	20	30		FEEDHM
CC[C@H](C#N)Oc1cc(CNCc2ccc(-c3nn[n-]n3)o2)ccc1OC	ZINC000820843321	599436055	/nfs/dbraw/zinc/43/60/55/599436055.db2.gz	WLLZKABAQHRIBU-CYBMUJFWSA-N	-1	3	368.397	2.439	20	30		FEEDHM
N#CCN1CCC(Nc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)CC1	ZINC000737694923	599525968	/nfs/dbraw/zinc/52/59/68/599525968.db2.gz	GQRXPHANHMMOEW-UHFFFAOYSA-N	-1	3	351.336	2.285	20	30		FEEDHM
CCC(CC)CN(CCC#N)CC(=O)Nc1ccc(-c2nnn[n-]2)cc1	ZINC000820893375	599640445	/nfs/dbraw/zinc/64/04/45/599640445.db2.gz	PDNRRCOQCFYKPU-UHFFFAOYSA-N	-1	3	355.446	2.457	20	30		FEEDHM
CCC(CC)CN(CCC#N)CC(=O)Nc1ccc(-c2nn[n-]n2)cc1	ZINC000820893375	599640446	/nfs/dbraw/zinc/64/04/46/599640446.db2.gz	PDNRRCOQCFYKPU-UHFFFAOYSA-N	-1	3	355.446	2.457	20	30		FEEDHM
C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)c1ccc(-c2nnn[n-]2)cc1C	ZINC000823878417	607388871	/nfs/dbraw/zinc/38/88/71/607388871.db2.gz	YGFRWNODQRUOKB-ZDUSSCGKSA-N	-1	3	357.414	2.145	20	30		FEEDHM
C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)c1ccc(-c2nn[n-]n2)cc1C	ZINC000823878417	607388872	/nfs/dbraw/zinc/38/88/72/607388872.db2.gz	YGFRWNODQRUOKB-ZDUSSCGKSA-N	-1	3	357.414	2.145	20	30		FEEDHM
N#CCC[C@H](NC(=O)CNc1ccc(-c2nn[n-]n2)cc1)c1ccccc1	ZINC000826381477	607429589	/nfs/dbraw/zinc/42/95/89/607429589.db2.gz	NGJLZZCZSKBYIL-KRWDZBQOSA-N	-1	3	361.409	2.440	20	30		FEEDHM
CS(=O)(=O)Cc1ccccc1CN[C@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000832681824	601307963	/nfs/dbraw/zinc/30/79/63/601307963.db2.gz	JIDFCJLJHAYKFH-KRWDZBQOSA-N	-1	3	358.419	2.018	20	30		FEEDHM
C=CCCO[C@@H](C)C(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1	ZINC000825676236	601733910	/nfs/dbraw/zinc/73/39/10/601733910.db2.gz	ZSFXOFLLQFUHCN-OXJNMPFZSA-N	-1	3	360.454	2.203	20	30		FEEDHM
C[C@H](NCc1ccc(CS(=O)(=O)CC(=O)[O-])cc1)c1ccc(C#N)cc1	ZINC000827741498	601852153	/nfs/dbraw/zinc/85/21/53/601852153.db2.gz	NQJZFLQNVTZYPY-AWEZNQCLSA-N	-1	3	372.446	2.408	20	30		FEEDHM
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C1CCC(NC(=O)[O-])CC1	ZINC000739606401	601862188	/nfs/dbraw/zinc/86/21/88/601862188.db2.gz	QPFBJLLUWUUIKA-UHFFFAOYSA-N	-1	3	372.469	2.275	20	30		FEEDHM
C[C@H](NC(=O)[O-])[C@H]1CCCCN1CCC(=O)Nc1sccc1C#N	ZINC000739011646	602266260	/nfs/dbraw/zinc/26/62/60/602266260.db2.gz	QJZXROVIEFPKRB-WCQYABFASA-N	-1	3	350.444	2.459	20	30		FEEDHM
CN(CC(=O)C(C#N)c1nc2ccccc2s1)[C@@H]1CCN(C(=O)[O-])C1	ZINC000828086221	603534085	/nfs/dbraw/zinc/53/40/85/603534085.db2.gz	QGASMWJAEDVPAK-VXGBXAGGSA-N	-1	3	358.423	2.157	20	30		FEEDHM
CN(CC(=O)N(C)C1(C#N)CCCCC1)C1CCC(NC(=O)[O-])CC1	ZINC000828085589	603785237	/nfs/dbraw/zinc/78/52/37/603785237.db2.gz	GRUMETKBOMUIPF-UHFFFAOYSA-N	-1	3	350.463	2.182	20	30		FEEDHM
N#C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1ccc(Cl)c(Cl)c1	ZINC000826380112	607735347	/nfs/dbraw/zinc/73/53/47/607735347.db2.gz	NOIWIVBFSZBRSU-GFCCVEGCSA-N	-1	3	362.180	2.496	20	30		FEEDHM
N#C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccc(Cl)c(Cl)c1	ZINC000826380112	607735348	/nfs/dbraw/zinc/73/53/48/607735348.db2.gz	NOIWIVBFSZBRSU-GFCCVEGCSA-N	-1	3	362.180	2.496	20	30		FEEDHM
N#CCCN(CCC(=O)Nc1ccccc1-c1nnn[n-]1)Cc1ccco1	ZINC000822810249	606191075	/nfs/dbraw/zinc/19/10/75/606191075.db2.gz	DZBQUSPGFLZBFF-UHFFFAOYSA-N	-1	3	365.397	2.204	20	30		FEEDHM
N#CCCN(CCC(=O)Nc1ccccc1-c1nn[n-]n1)Cc1ccco1	ZINC000822810249	606191076	/nfs/dbraw/zinc/19/10/76/606191076.db2.gz	DZBQUSPGFLZBFF-UHFFFAOYSA-N	-1	3	365.397	2.204	20	30		FEEDHM
CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cc(C#N)cn1C	ZINC000820086665	606222220	/nfs/dbraw/zinc/22/22/20/606222220.db2.gz	DJXSQKPMIFURCD-UHFFFAOYSA-N	-1	3	363.425	2.375	20	30		FEEDHM
CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cc(C#N)cn1C	ZINC000820086665	606222222	/nfs/dbraw/zinc/22/22/22/606222222.db2.gz	DJXSQKPMIFURCD-UHFFFAOYSA-N	-1	3	363.425	2.375	20	30		FEEDHM
Cc1ccc(-c2nnn[n-]2)cc1N[C@@H]1CCN(c2sccc2C#N)C1=O	ZINC000822220631	606248463	/nfs/dbraw/zinc/24/84/63/606248463.db2.gz	ZLTVURRXSVSUDJ-CYBMUJFWSA-N	-1	3	365.422	2.326	20	30		FEEDHM
Cc1ccc(-c2nn[n-]n2)cc1N[C@@H]1CCN(c2sccc2C#N)C1=O	ZINC000822220631	606248464	/nfs/dbraw/zinc/24/84/64/606248464.db2.gz	ZLTVURRXSVSUDJ-CYBMUJFWSA-N	-1	3	365.422	2.326	20	30		FEEDHM
O=C(Nc1cccc(C#Cc2ccccn2)c1)c1cc(-c2nnn[n-]2)c[nH]1	ZINC000823363826	606253456	/nfs/dbraw/zinc/25/34/56/606253456.db2.gz	PCEFTBZEWQWEJK-UHFFFAOYSA-N	-1	3	355.361	2.242	20	30		FEEDHM
O=C(Nc1cccc(C#Cc2ccccn2)c1)c1cc(-c2nn[n-]n2)c[nH]1	ZINC000823363826	606253457	/nfs/dbraw/zinc/25/34/57/606253457.db2.gz	PCEFTBZEWQWEJK-UHFFFAOYSA-N	-1	3	355.361	2.242	20	30		FEEDHM
N#Cc1ccsc1N1CC[C@H](Sc2ccc(-c3nnn[n-]3)cn2)C1=O	ZINC000822842715	606311328	/nfs/dbraw/zinc/31/13/28/606311328.db2.gz	VJSNNYBSYIUONF-NSHDSACASA-N	-1	3	369.435	2.092	20	30		FEEDHM
N#Cc1ccsc1N1CC[C@H](Sc2ccc(-c3nn[n-]n3)cn2)C1=O	ZINC000822842715	606311329	/nfs/dbraw/zinc/31/13/29/606311329.db2.gz	VJSNNYBSYIUONF-NSHDSACASA-N	-1	3	369.435	2.092	20	30		FEEDHM
C#CCOc1ccccc1[C@H](C)OC(=O)c1cc(-c2nnn[n-]2)cn1C	ZINC000819709336	606409035	/nfs/dbraw/zinc/40/90/35/606409035.db2.gz	DIMMIRICQMMWRD-LBPRGKRZSA-N	-1	3	351.366	2.135	20	30		FEEDHM
C#CCOc1ccccc1[C@H](C)OC(=O)c1cc(-c2nn[n-]n2)cn1C	ZINC000819709336	606409037	/nfs/dbraw/zinc/40/90/37/606409037.db2.gz	DIMMIRICQMMWRD-LBPRGKRZSA-N	-1	3	351.366	2.135	20	30		FEEDHM
C=CCCOCC(=O)OCc1ccc(-c2nnn[n-]2)cc1OC(F)F	ZINC000819740147	606558086	/nfs/dbraw/zinc/55/80/86/606558086.db2.gz	REJFYGHRHHJIEU-UHFFFAOYSA-N	-1	3	354.313	2.104	20	30		FEEDHM
C=CCCOCC(=O)OCc1ccc(-c2nn[n-]n2)cc1OC(F)F	ZINC000819740147	606558087	/nfs/dbraw/zinc/55/80/87/606558087.db2.gz	REJFYGHRHHJIEU-UHFFFAOYSA-N	-1	3	354.313	2.104	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCC1(C)CCOCC1	ZINC000819743337	606616751	/nfs/dbraw/zinc/61/67/51/606616751.db2.gz	HDQJLTPDJVHCAL-UHFFFAOYSA-N	-1	3	370.457	2.381	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCC1(C)CCOCC1	ZINC000819743337	606616753	/nfs/dbraw/zinc/61/67/53/606616753.db2.gz	HDQJLTPDJVHCAL-UHFFFAOYSA-N	-1	3	370.457	2.381	20	30		FEEDHM
Clc1cccc(CNN=Cc2cnc3ccc(-c4nnn[n-]4)cn23)c1	ZINC000822585498	606768563	/nfs/dbraw/zinc/76/85/63/606768563.db2.gz	AXPPRWBLAZUJFT-UHFFFAOYSA-N	-1	3	352.789	2.292	20	30		FEEDHM
Clc1cccc(CNN=Cc2cnc3ccc(-c4nn[n-]n4)cn23)c1	ZINC000822585498	606768565	/nfs/dbraw/zinc/76/85/65/606768565.db2.gz	AXPPRWBLAZUJFT-UHFFFAOYSA-N	-1	3	352.789	2.292	20	30		FEEDHM
CCN(CC)c1ccnc(N=NC(C)c2cccc(-c3nnn[n-]3)c2)n1	ZINC000821196606	606820208	/nfs/dbraw/zinc/82/02/08/606820208.db2.gz	BUSWFEKPVKFGHQ-UHFFFAOYSA-N	-1	3	351.418	2.339	20	30		FEEDHM
CCN(CC)c1ccnc(N=NC(C)c2cccc(-c3nn[n-]n3)c2)n1	ZINC000821196606	606820210	/nfs/dbraw/zinc/82/02/10/606820210.db2.gz	BUSWFEKPVKFGHQ-UHFFFAOYSA-N	-1	3	351.418	2.339	20	30		FEEDHM
C[C@@H](C#N)CNC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1	ZINC000819844602	606832827	/nfs/dbraw/zinc/83/28/27/606832827.db2.gz	IYPLZWZBHGVXKX-NSHDSACASA-N	-1	3	364.369	2.335	20	30		FEEDHM
CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc(C#N)c(C#N)c1	ZINC000820001002	607237889	/nfs/dbraw/zinc/23/78/89/607237889.db2.gz	BACVIXYZNOHEMU-UHFFFAOYSA-N	-1	3	373.376	2.406	20	30		FEEDHM
CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(C#N)c(C#N)c1	ZINC000820001002	607237890	/nfs/dbraw/zinc/23/78/90/607237890.db2.gz	BACVIXYZNOHEMU-UHFFFAOYSA-N	-1	3	373.376	2.406	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2ccccc2Cn2cccn2)cc1-c1nnn[n-]1	ZINC000822829616	607238634	/nfs/dbraw/zinc/23/86/34/607238634.db2.gz	AIDRIQVHPYNSCP-UHFFFAOYSA-N	-1	3	370.376	2.235	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2ccccc2Cn2cccn2)cc1-c1nn[n-]n1	ZINC000822829616	607238635	/nfs/dbraw/zinc/23/86/35/607238635.db2.gz	AIDRIQVHPYNSCP-UHFFFAOYSA-N	-1	3	370.376	2.235	20	30		FEEDHM
N#C[C@H](C(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1nc2ccccc2n1C(F)F	ZINC000826379355	607776628	/nfs/dbraw/zinc/77/66/28/607776628.db2.gz	PSANLTJUAZHFAR-MRVPVSSYSA-N	-1	3	368.307	2.430	20	30		FEEDHM
C[C@H](C#N)CN(CC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C1CC1	ZINC000824034346	607831551	/nfs/dbraw/zinc/83/15/51/607831551.db2.gz	IPVOSSAEDOQFFU-SNVBAGLBSA-N	-1	3	359.821	2.083	20	30		FEEDHM
C[C@H](C#N)CN(CC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C1CC1	ZINC000824034346	607831552	/nfs/dbraw/zinc/83/15/52/607831552.db2.gz	IPVOSSAEDOQFFU-SNVBAGLBSA-N	-1	3	359.821	2.083	20	30		FEEDHM
S=C1N=NC(c2cccs2)N1N=Cc1ccccc1-c1nnn[n-]1	ZINC000826512127	607883133	/nfs/dbraw/zinc/88/31/33/607883133.db2.gz	PIGJOTKICZWANZ-UHFFFAOYSA-N	-1	3	354.424	2.358	20	30		FEEDHM
S=C1N=NC(c2cccs2)N1N=Cc1ccccc1-c1nn[n-]n1	ZINC000826512127	607883134	/nfs/dbraw/zinc/88/31/34/607883134.db2.gz	PIGJOTKICZWANZ-UHFFFAOYSA-N	-1	3	354.424	2.358	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](C)c1cn[nH]c1	ZINC000823909661	607959078	/nfs/dbraw/zinc/95/90/78/607959078.db2.gz	MOTHTDJIQCCNMN-LBPRGKRZSA-N	-1	3	352.402	2.049	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](C)c1cn[nH]c1	ZINC000823909661	607959079	/nfs/dbraw/zinc/95/90/79/607959079.db2.gz	MOTHTDJIQCCNMN-LBPRGKRZSA-N	-1	3	352.402	2.049	20	30		FEEDHM
N#CCN1CCC(Nc2ccc(-c3nn[n-]n3)cc2Br)CC1	ZINC000826381960	608050371	/nfs/dbraw/zinc/05/03/71/608050371.db2.gz	HPPLMLOUCJATKT-UHFFFAOYSA-N	-1	3	362.235	2.029	20	30		FEEDHM
N#Cc1cccc([C@H]2CN(c3ncc(-c4nnn[n-]4)cc3Cl)CCO2)c1	ZINC000826386407	608053524	/nfs/dbraw/zinc/05/35/24/608053524.db2.gz	CLSJOATVZIYRFE-OAHLLOKOSA-N	-1	3	367.800	2.365	20	30		FEEDHM
N#Cc1cccc([C@H]2CN(c3ncc(-c4nn[n-]n4)cc3Cl)CCO2)c1	ZINC000826386407	608053525	/nfs/dbraw/zinc/05/35/25/608053525.db2.gz	CLSJOATVZIYRFE-OAHLLOKOSA-N	-1	3	367.800	2.365	20	30		FEEDHM
C[C@@]1(C#N)CCCN(Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)C1	ZINC000824779071	608125674	/nfs/dbraw/zinc/12/56/74/608125674.db2.gz	SIEMTIWMRCKTPI-KRWDZBQOSA-N	-1	3	350.386	2.042	20	30		FEEDHM
C[C@@]1(C#N)CCCN(Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)C1	ZINC000824779071	608125675	/nfs/dbraw/zinc/12/56/75/608125675.db2.gz	SIEMTIWMRCKTPI-KRWDZBQOSA-N	-1	3	350.386	2.042	20	30		FEEDHM
C[C@]1(C#N)CCCN(C(=O)CSCc2ccc(-c3nnn[n-]3)cc2)C1	ZINC000824777474	608140088	/nfs/dbraw/zinc/14/00/88/608140088.db2.gz	IZOIPTNDLPZQQM-QGZVFWFLSA-N	-1	3	356.455	2.252	20	30		FEEDHM
C[C@]1(C#N)CCCN(C(=O)CSCc2ccc(-c3nn[n-]n3)cc2)C1	ZINC000824777474	608140089	/nfs/dbraw/zinc/14/00/89/608140089.db2.gz	IZOIPTNDLPZQQM-QGZVFWFLSA-N	-1	3	356.455	2.252	20	30		FEEDHM
CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCC[C@@](C)(C#N)C1	ZINC000824207233	608140284	/nfs/dbraw/zinc/14/02/84/608140284.db2.gz	RXQITTUSORPCTE-LPHOPBHVSA-N	-1	3	368.441	2.422	20	30		FEEDHM
CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCC[C@@](C)(C#N)C1	ZINC000824207233	608140285	/nfs/dbraw/zinc/14/02/85/608140285.db2.gz	RXQITTUSORPCTE-LPHOPBHVSA-N	-1	3	368.441	2.422	20	30		FEEDHM
COc1ccc(-c2nnn[n-]2)cc1CON=CC(=O)Nc1cccc(F)c1	ZINC000826184820	608151163	/nfs/dbraw/zinc/15/11/63/608151163.db2.gz	MIDPUSYNBQBNDD-UHFFFAOYSA-N	-1	3	370.344	2.156	20	30		FEEDHM
COc1ccc(-c2nn[n-]n2)cc1CON=CC(=O)Nc1cccc(F)c1	ZINC000826184820	608151164	/nfs/dbraw/zinc/15/11/64/608151164.db2.gz	MIDPUSYNBQBNDD-UHFFFAOYSA-N	-1	3	370.344	2.156	20	30		FEEDHM
CCN(C[C@@H](C)C#N)[C@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1	ZINC000825399361	608154654	/nfs/dbraw/zinc/15/46/54/608154654.db2.gz	QYNMLDXEUNKQHU-WDEREUQCSA-N	-1	3	361.837	2.329	20	30		FEEDHM
CCN(C[C@@H](C)C#N)[C@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1	ZINC000825399361	608154656	/nfs/dbraw/zinc/15/46/56/608154656.db2.gz	QYNMLDXEUNKQHU-WDEREUQCSA-N	-1	3	361.837	2.329	20	30		FEEDHM
CCn1c2ccc(C#N)cc2nc1NC(=O)c1cc(-c2nnn[n-]2)cs1	ZINC000825792954	608177168	/nfs/dbraw/zinc/17/71/68/608177168.db2.gz	GXZKJIBHUAIZSP-UHFFFAOYSA-N	-1	3	364.394	2.422	20	30		FEEDHM
CCn1c2ccc(C#N)cc2nc1NC(=O)c1cc(-c2nn[n-]n2)cs1	ZINC000825792954	608177172	/nfs/dbraw/zinc/17/71/72/608177172.db2.gz	GXZKJIBHUAIZSP-UHFFFAOYSA-N	-1	3	364.394	2.422	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@H]1CCO[C@@H](C)C1	ZINC000823909649	608203317	/nfs/dbraw/zinc/20/33/17/608203317.db2.gz	MHJKRTMQPDIRGV-GJZGRUSLSA-N	-1	3	370.457	2.379	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@H]1CCO[C@@H](C)C1	ZINC000823909649	608203318	/nfs/dbraw/zinc/20/33/18/608203318.db2.gz	MHJKRTMQPDIRGV-GJZGRUSLSA-N	-1	3	370.457	2.379	20	30		FEEDHM
C#C[C@@H](Cc1ccccc1)OC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1	ZINC000823838349	608332118	/nfs/dbraw/zinc/33/21/18/608332118.db2.gz	ONBDSOMSPLPDNN-PBHICJAKSA-N	-1	3	362.389	2.422	20	30		FEEDHM
C=CC[C@@H](CO)CNc1c(-c2nnn[n-]2)cnc2c(F)ccc(Cl)c21	ZINC000823888059	608410981	/nfs/dbraw/zinc/41/09/81/608410981.db2.gz	DRWQWXLHFVSPED-SECBINFHSA-N	-1	3	362.796	2.226	20	30		FEEDHM
C=CC[C@@H](CO)CNc1c(-c2nn[n-]n2)cnc2c(F)ccc(Cl)c21	ZINC000823888059	608410982	/nfs/dbraw/zinc/41/09/82/608410982.db2.gz	DRWQWXLHFVSPED-SECBINFHSA-N	-1	3	362.796	2.226	20	30		FEEDHM
C=CCOc1cccnc1C(=O)OCc1cc(F)ccc1-c1nnn[n-]1	ZINC000823932189	608457138	/nfs/dbraw/zinc/45/71/38/608457138.db2.gz	RPTVZPRNORUOGC-UHFFFAOYSA-N	-1	3	355.329	2.323	20	30		FEEDHM
C=CCOc1cccnc1C(=O)OCc1cc(F)ccc1-c1nn[n-]n1	ZINC000823932189	608457140	/nfs/dbraw/zinc/45/71/40/608457140.db2.gz	RPTVZPRNORUOGC-UHFFFAOYSA-N	-1	3	355.329	2.323	20	30		FEEDHM
C=CCCO[C@H](C)C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1	ZINC000823898957	608482490	/nfs/dbraw/zinc/48/24/90/608482490.db2.gz	GOQXCPDJEMMBLI-CQSZACIVSA-N	-1	3	353.426	2.464	20	30		FEEDHM
C=CCCO[C@H](C)C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1	ZINC000823898957	608482492	/nfs/dbraw/zinc/48/24/92/608482492.db2.gz	GOQXCPDJEMMBLI-CQSZACIVSA-N	-1	3	353.426	2.464	20	30		FEEDHM
Cc1ccc2ncc(CN=Nc3cc(-c4nnn[n-]4)cc(Cl)n3)n2c1	ZINC000826295624	608540856	/nfs/dbraw/zinc/54/08/56/608540856.db2.gz	PZZORXQTCJRWSK-UHFFFAOYSA-N	-1	3	353.777	2.317	20	30		FEEDHM
Cc1ccc2ncc(CN=Nc3cc(-c4nn[n-]n4)cc(Cl)n3)n2c1	ZINC000826295624	608540858	/nfs/dbraw/zinc/54/08/58/608540858.db2.gz	PZZORXQTCJRWSK-UHFFFAOYSA-N	-1	3	353.777	2.317	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCO[C@H](C)C1	ZINC000823910059	608842996	/nfs/dbraw/zinc/84/29/96/608842996.db2.gz	WUHPBHQQKXIFTH-CZUORRHYSA-N	-1	3	356.430	2.132	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CCO[C@H](C)C1	ZINC000823910059	608842997	/nfs/dbraw/zinc/84/29/97/608842997.db2.gz	WUHPBHQQKXIFTH-CZUORRHYSA-N	-1	3	356.430	2.132	20	30		FEEDHM
N#Cc1cccc([C@H]2CN(Cc3ccc(-c4nnn[n-]4)s3)CCO2)c1	ZINC000826386603	608854885	/nfs/dbraw/zinc/85/48/85/608854885.db2.gz	LOVCOVFWHUOHBH-OAHLLOKOSA-N	-1	3	352.423	2.373	20	30		FEEDHM
O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc2[nH]c(=O)[nH]c2c1	ZINC000826401067	608878192	/nfs/dbraw/zinc/87/81/92/608878192.db2.gz	OVGGPXANAPSEHW-QHHAFSJGSA-N	-1	3	350.313	2.484	20	30		FEEDHM
O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc2[nH]c(=O)[nH]c2c1	ZINC000826401067	608878195	/nfs/dbraw/zinc/87/81/95/608878195.db2.gz	OVGGPXANAPSEHW-QHHAFSJGSA-N	-1	3	350.313	2.484	20	30		FEEDHM
C=CCOCC(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1-c1ccccc1	ZINC000823926012	609167733	/nfs/dbraw/zinc/16/77/33/609167733.db2.gz	VRUALQHEESUSRG-UHFFFAOYSA-N	-1	3	352.398	2.415	20	30		FEEDHM
C=CCOCC(=O)Nc1c(-c2nn[n-]n2)c(C)c(C)n1-c1ccccc1	ZINC000823926012	609167735	/nfs/dbraw/zinc/16/77/35/609167735.db2.gz	VRUALQHEESUSRG-UHFFFAOYSA-N	-1	3	352.398	2.415	20	30		FEEDHM
Cc1cc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)nn1[C@H](C)C1CC1	ZINC000826260647	609188151	/nfs/dbraw/zinc/18/81/51/609188151.db2.gz	YUYKGZOCLJKKCY-LLVKDONJSA-N	-1	3	362.397	2.467	20	30		FEEDHM
Cc1cc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)nn1[C@H](C)C1CC1	ZINC000826260647	609188152	/nfs/dbraw/zinc/18/81/52/609188152.db2.gz	YUYKGZOCLJKKCY-LLVKDONJSA-N	-1	3	362.397	2.467	20	30		FEEDHM
C=CCOc1cccc(NC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c1	ZINC000823932003	609210039	/nfs/dbraw/zinc/21/00/39/609210039.db2.gz	KGCKJIQKVCWCRL-INIZCTEOSA-N	-1	3	351.366	2.104	20	30		FEEDHM
C=CCOc1cccc(NC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c1	ZINC000823932003	609210042	/nfs/dbraw/zinc/21/00/42/609210042.db2.gz	KGCKJIQKVCWCRL-INIZCTEOSA-N	-1	3	351.366	2.104	20	30		FEEDHM
COc1ccc(COC(=O)Cc2ccccc2CC#N)cc1-c1nnn[n-]1	ZINC000826205822	609243464	/nfs/dbraw/zinc/24/34/64/609243464.db2.gz	OPVAQXVPVWTUPV-UHFFFAOYSA-N	-1	3	363.377	2.227	20	30		FEEDHM
COc1ccc(COC(=O)Cc2ccccc2CC#N)cc1-c1nn[n-]n1	ZINC000826205822	609243466	/nfs/dbraw/zinc/24/34/66/609243466.db2.gz	OPVAQXVPVWTUPV-UHFFFAOYSA-N	-1	3	363.377	2.227	20	30		FEEDHM
N#CCCN(CCC#N)Cc1ccc(-c2nnn[n-]2)cc1Br	ZINC000826381384	609367996	/nfs/dbraw/zinc/36/79/96/609367996.db2.gz	JSSDJQHCEXGRBS-UHFFFAOYSA-N	-1	3	360.219	2.259	20	30		FEEDHM
N#CCCN(CCC#N)Cc1ccc(-c2nn[n-]n2)cc1Br	ZINC000826381384	609367998	/nfs/dbraw/zinc/36/79/98/609367998.db2.gz	JSSDJQHCEXGRBS-UHFFFAOYSA-N	-1	3	360.219	2.259	20	30		FEEDHM
N#Cc1cc(NC(=O)c2cc(F)c([N+](=O)[O-])cc2F)ccc1-c1nnn[n-]1	ZINC000826384347	609383919	/nfs/dbraw/zinc/38/39/19/609383919.db2.gz	RMCLGNYFNWVVBD-UHFFFAOYSA-N	-1	3	371.263	2.177	20	30		FEEDHM
N#Cc1cc(NC(=O)c2cc(F)c([N+](=O)[O-])cc2F)ccc1-c1nn[n-]n1	ZINC000826384347	609383922	/nfs/dbraw/zinc/38/39/22/609383922.db2.gz	RMCLGNYFNWVVBD-UHFFFAOYSA-N	-1	3	371.263	2.177	20	30		FEEDHM
CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCC(CC#N)CC1	ZINC000824206740	609422936	/nfs/dbraw/zinc/42/29/36/609422936.db2.gz	HSEHKLFEJTVQGF-KRWDZBQOSA-N	-1	3	368.441	2.422	20	30		FEEDHM
CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCC(CC#N)CC1	ZINC000824206740	609422937	/nfs/dbraw/zinc/42/29/37/609422937.db2.gz	HSEHKLFEJTVQGF-KRWDZBQOSA-N	-1	3	368.441	2.422	20	30		FEEDHM
C=CCN(CCc1ccco1)S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C	ZINC000823909556	609450119	/nfs/dbraw/zinc/45/01/19/609450119.db2.gz	IVENYJRLNCCURW-UHFFFAOYSA-N	-1	3	373.438	2.188	20	30		FEEDHM
C=CCN(CCc1ccco1)S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C	ZINC000823909556	609450122	/nfs/dbraw/zinc/45/01/22/609450122.db2.gz	IVENYJRLNCCURW-UHFFFAOYSA-N	-1	3	373.438	2.188	20	30		FEEDHM
Cc1cc(C(=O)N[C@](C)(C#N)C(C)C)nn1-c1cccc(-c2nnn[n-]2)c1	ZINC000826258289	609515158	/nfs/dbraw/zinc/51/51/58/609515158.db2.gz	GJXLWUSIQJXKMV-GOSISDBHSA-N	-1	3	364.413	2.029	20	30		FEEDHM
Cc1cc(C(=O)N[C@](C)(C#N)C(C)C)nn1-c1cccc(-c2nn[n-]n2)c1	ZINC000826258289	609515159	/nfs/dbraw/zinc/51/51/59/609515159.db2.gz	GJXLWUSIQJXKMV-GOSISDBHSA-N	-1	3	364.413	2.029	20	30		FEEDHM
Cc1ccnc(NCc2nc(-c3cccc(-c4nnn[n-]4)c3)c[nH]2)c1C#N	ZINC000826315052	609585273	/nfs/dbraw/zinc/58/52/73/609585273.db2.gz	WXLWMCMYBVXKEP-UHFFFAOYSA-N	-1	3	357.381	2.444	20	30		FEEDHM
Cc1ccnc(NCc2nc(-c3cccc(-c4nn[n-]n4)c3)c[nH]2)c1C#N	ZINC000826315052	609585275	/nfs/dbraw/zinc/58/52/75/609585275.db2.gz	WXLWMCMYBVXKEP-UHFFFAOYSA-N	-1	3	357.381	2.444	20	30		FEEDHM
CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)OCc1cccc(-c2nnn[n-]2)c1	ZINC000824099400	609624818	/nfs/dbraw/zinc/62/48/18/609624818.db2.gz	FWZQEMBBIIRGBJ-GOSISDBHSA-N	-1	3	371.397	2.172	20	30		FEEDHM
CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)OCc1cccc(-c2nn[n-]n2)c1	ZINC000824099400	609624819	/nfs/dbraw/zinc/62/48/19/609624819.db2.gz	FWZQEMBBIIRGBJ-GOSISDBHSA-N	-1	3	371.397	2.172	20	30		FEEDHM
C#C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)ccc1F)c1ccc(F)cc1	ZINC000812527469	674682842	/nfs/dbraw/zinc/68/28/42/674682842.db2.gz	SDMPWJMFOGEROB-OAHLLOKOSA-N	-1	3	365.357	2.404	20	30		FEEDHM
CCN(CC(C)(C)C)C(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000812756157	674696601	/nfs/dbraw/zinc/69/66/01/674696601.db2.gz	QRUJVWPHHQYNIP-ZDUSSCGKSA-N	-1	3	365.499	2.398	20	30		FEEDHM
C#C[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccc(F)cc1	ZINC000812754491	674696657	/nfs/dbraw/zinc/69/66/57/674696657.db2.gz	RXKCPXACCQLSNJ-HNNXBMFYSA-N	-1	3	362.382	2.007	20	30		FEEDHM
Cc1c2cc(Br)ccc2oc1C(=O)N[C@H]1CCN([O-])C1=O	ZINC000816693586	675073697	/nfs/dbraw/zinc/07/36/97/675073697.db2.gz	ODGLJZOVALXFBV-JTQLQIEISA-N	-1	3	353.172	2.224	20	30		FEEDHM
CC(C)c1c(C(=O)N[C@H]2CCN([O-])C2=O)cnn1-c1ccc(Cl)cc1	ZINC000816696334	675073834	/nfs/dbraw/zinc/07/38/34/675073834.db2.gz	WPJGNMQIVOYENR-AWEZNQCLSA-N	-1	3	362.817	2.369	20	30		FEEDHM
O=C(CSc1cccc(Br)c1)N[C@@H]1CCCN([O-])C1=O	ZINC000816755306	675077810	/nfs/dbraw/zinc/07/78/10/675077810.db2.gz	XRSDWVOMKTXGOS-LLVKDONJSA-N	-1	3	359.245	2.038	20	30		FEEDHM
O=C(N[C@@H]1CCCN([O-])C1=O)c1cc2cc(Br)ccc2[nH]1	ZINC000816757091	675078083	/nfs/dbraw/zinc/07/80/83/675078083.db2.gz	LQLJIAICRSTNIY-LLVKDONJSA-N	-1	3	352.188	2.040	20	30		FEEDHM
O=C(N[C@@H]1CCCN([O-])C1=O)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F	ZINC000816756251	675078141	/nfs/dbraw/zinc/07/81/41/675078141.db2.gz	SWUVXZVWRGHTDB-SDDRHHMPSA-N	-1	3	358.316	2.185	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)NC(C2CC2)C2CC2)ccc1F	ZINC000045350401	670203706	/nfs/dbraw/zinc/20/37/06/670203706.db2.gz	RLMNZKWXYREWEH-UHFFFAOYSA-N	-1	3	352.431	2.208	20	30		FEEDHM
CC(C)[N-]S(=O)(=O)c1cc(C(=O)NC2(C#N)CCCC2)ccc1F	ZINC000104524707	670793732	/nfs/dbraw/zinc/79/37/32/670793732.db2.gz	CQHSQFZAQOYCFL-UHFFFAOYSA-N	-1	3	353.419	2.079	20	30		FEEDHM
C#CCOCCC(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O	ZINC000131741929	672091155	/nfs/dbraw/zinc/09/11/55/672091155.db2.gz	FABQVLFGERZNKQ-UHFFFAOYSA-N	-1	3	364.345	2.055	20	30		FEEDHM
O=C(CC(=O)N1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1)[N-]CC(F)(F)F	ZINC000679445108	672496559	/nfs/dbraw/zinc/49/65/59/672496559.db2.gz	ORHISCRZGMDDTL-OLQVQODUSA-N	-1	3	374.203	2.254	20	30		FEEDHM
N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CC[C@](O)(C(F)(F)F)C2)c1	ZINC000589923769	672547921	/nfs/dbraw/zinc/54/79/21/672547921.db2.gz	VLUFNHRFROISCU-BXKDBHETSA-N	-1	3	368.764	2.336	20	30		FEEDHM
COC1(CS(=O)(=O)[N-]c2cccc(OCCCC#N)c2)CCOCC1	ZINC000593193835	672889692	/nfs/dbraw/zinc/88/96/92/672889692.db2.gz	AUIRIIYKORBLID-UHFFFAOYSA-N	-1	3	368.455	2.306	20	30		FEEDHM
CC[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(C#N)cc1C(=O)OC	ZINC000593577550	672949139	/nfs/dbraw/zinc/94/91/39/672949139.db2.gz	LEZHBHNDMWILPD-SNVBAGLBSA-N	-1	3	364.345	2.354	20	30		FEEDHM
CN(C)C[C@@H]([N-]S(=O)(=O)c1ccsc1C#N)c1ccc(F)cc1	ZINC000593595600	672953955	/nfs/dbraw/zinc/95/39/55/672953955.db2.gz	ICYSNJJXFJIRRK-CYBMUJFWSA-N	-1	3	353.444	2.340	20	30		FEEDHM
Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1	ZINC000329520070	673078894	/nfs/dbraw/zinc/07/88/94/673078894.db2.gz	OFUBBLORMHBVKC-MELADBBJSA-N	-1	3	355.460	2.495	20	30		FEEDHM
N#Cc1cccnc1NCC[N-]S(=O)(=O)c1ccc(Cl)nc1Cl	ZINC000725827790	673093436	/nfs/dbraw/zinc/09/34/36/673093436.db2.gz	WGTUKQQEEVCAFM-UHFFFAOYSA-N	-1	3	372.237	2.045	20	30		FEEDHM
C=CCOc1cccnc1C(=O)[N-]c1nnc(CCCC(=O)OC)s1	ZINC000538254392	673429100	/nfs/dbraw/zinc/42/91/00/673429100.db2.gz	PDFQYRJDRFYQKB-UHFFFAOYSA-N	-1	3	362.411	2.246	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H](CCCC)COC)ccc1F	ZINC000736049329	673511661	/nfs/dbraw/zinc/51/16/61/673511661.db2.gz	IXCSKIXMSUOXGP-CQSZACIVSA-N	-1	3	372.462	2.225	20	30		FEEDHM
COC(=O)[C@]1([N-]S(=O)(=O)Cc2cccc(C#N)c2)CCCC(C)(C)C1	ZINC000599411591	673671609	/nfs/dbraw/zinc/67/16/09/673671609.db2.gz	HPFIWZXYNFGQAJ-SFHVURJKSA-N	-1	3	364.467	2.490	20	30		FEEDHM
CC(C)C[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OCCCF	ZINC000741447394	673687118	/nfs/dbraw/zinc/68/71/18/673687118.db2.gz	DQLVOYLKHNPKAS-CYBMUJFWSA-N	-1	3	356.419	2.043	20	30		FEEDHM
COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=C([O-])c1nnn(C)c1C	ZINC000744028548	673779814	/nfs/dbraw/zinc/77/98/14/673779814.db2.gz	JTERRFSQVXEJET-JTQLQIEISA-N	-1	3	361.789	2.055	20	30		FEEDHM
CC[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000546882755	673825276	/nfs/dbraw/zinc/82/52/76/673825276.db2.gz	ROLNZGXGQYRTLC-MRVPVSSYSA-N	-1	3	351.306	2.476	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)OCc2nc(C)c(C)o2)ccc1F	ZINC000746570717	673884156	/nfs/dbraw/zinc/88/41/56/673884156.db2.gz	URKFNFPEGNXSLN-UHFFFAOYSA-N	-1	3	368.386	2.252	20	30		FEEDHM
CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NCC[C@@H](C)F	ZINC000818288399	675211285	/nfs/dbraw/zinc/21/12/85/675211285.db2.gz	ZCSFQFINIPIAFG-OCCSQVGLSA-N	-1	3	369.462	2.004	20	30		FEEDHM
N#CC1(CS(=O)(=O)[N-]Cc2ncn(-c3ccccc3)n2)CCCCC1	ZINC000567065199	675264491	/nfs/dbraw/zinc/26/44/91/675264491.db2.gz	SFTVDTFITOVRCJ-UHFFFAOYSA-N	-1	3	359.455	2.161	20	30		FEEDHM
O=C(Cc1csc(-c2ccc(Cl)cc2)n1)N[C@@H]1CCN([O-])C1=O	ZINC000820180242	675341526	/nfs/dbraw/zinc/34/15/26/675341526.db2.gz	WNGRTYREXRTGQH-GFCCVEGCSA-N	-1	3	351.815	2.112	20	30		FEEDHM
Cc1ccc(OCCC(=O)N[C@H]2CCCN([O-])C2=O)c(Br)c1	ZINC000820481897	675365199	/nfs/dbraw/zinc/36/51/99/675365199.db2.gz	ARUXPLXSXPKAIA-LBPRGKRZSA-N	-1	3	371.231	2.023	20	30		FEEDHM
O=C(C/C=C\c1ccc(Br)cc1)N[C@@H]1CCCN([O-])C1=O	ZINC000820543928	675368765	/nfs/dbraw/zinc/36/87/65/675368765.db2.gz	BIDBGVPVWUXFQQ-GIDQFRGBSA-N	-1	3	353.216	2.349	20	30		FEEDHM
CC(=NNc1nc2ccccc2c(=O)[nH]1)c1ccc(-c2nnn[n-]2)s1	ZINC000823962239	675578037	/nfs/dbraw/zinc/57/80/37/675578037.db2.gz	HYTRBGPPTFCJOS-UHFFFAOYSA-N	-1	3	352.383	2.413	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)OCCCCC(C)=O)ccc1F	ZINC000762852479	680763398	/nfs/dbraw/zinc/76/33/98/680763398.db2.gz	MAJRUYPMHJBGAA-UHFFFAOYSA-N	-1	3	357.403	2.206	20	30		FEEDHM
COCCON=Cc1cc(I)c([O-])c(OC)c1	ZINC000748788545	679996241	/nfs/dbraw/zinc/99/62/41/679996241.db2.gz	GTKHQMATPKSBSK-UHFFFAOYSA-N	-1	3	351.140	2.002	20	30		FEEDHM
N#Cc1cccc(COC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)c1	ZINC000750219157	680106806	/nfs/dbraw/zinc/10/68/06/680106806.db2.gz	LWDADLOLMPJHDA-UHFFFAOYSA-N	-1	3	370.839	2.295	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCS[C@@H](C)C2)ccc1F	ZINC000834684145	680256211	/nfs/dbraw/zinc/25/62/11/680256211.db2.gz	QBWGDEBRRMTBHS-AAEUAGOBSA-N	-1	3	372.487	2.304	20	30		FEEDHM
CCOC(=O)C(F)(F)[C@H]1CCC(=N[N-]S(=O)(=O)Cc2ccccc2)C1	ZINC000752728360	680256230	/nfs/dbraw/zinc/25/62/30/680256230.db2.gz	ZRLRFBAMIRQZCN-ZDUSSCGKSA-N	-1	3	374.409	2.461	20	30		FEEDHM
COC(=O)c1ccc(N=NCc2cc(O)c([O-])c(Br)c2)nc1	ZINC000758140743	680557204	/nfs/dbraw/zinc/55/72/04/680557204.db2.gz	WDLHHOHCODBITL-UHFFFAOYSA-N	-1	3	366.171	2.488	20	30		FEEDHM
CCCC[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N1CC(CC)C1	ZINC000837264434	680575934	/nfs/dbraw/zinc/57/59/34/680575934.db2.gz	VEEAPCZUZVYWDF-OAHLLOKOSA-N	-1	3	363.483	2.152	20	30		FEEDHM
C[C@H](COC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21)CC(F)F	ZINC000842437278	680946919	/nfs/dbraw/zinc/94/69/19/680946919.db2.gz	MPWBRNZOHJFSTB-QWRGUYRKSA-N	-1	3	374.409	2.338	20	30		FEEDHM
COc1cc(C([O-])=C(C#N)C(=O)Nc2ccc(OC)c(Cl)c2)nn1C	ZINC000773980277	681163387	/nfs/dbraw/zinc/16/33/87/681163387.db2.gz	PVWDFFMARKKESI-SNVBAGLBSA-N	-1	3	362.773	2.052	20	30		FEEDHM
CSc1cc(Br)ccc1C(=O)N[C@H]1CCCN([O-])C1=O	ZINC000848130937	681477631	/nfs/dbraw/zinc/47/76/31/681477631.db2.gz	VOLMELGLVQALIX-JTQLQIEISA-N	-1	3	359.245	2.281	20	30		FEEDHM
O=C(N[C@@H]1CCCN([O-])C1=O)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1	ZINC000848133013	681478093	/nfs/dbraw/zinc/47/80/93/681478093.db2.gz	RMCFHVUEDZLIEM-YNEHKIRRSA-N	-1	3	358.316	2.185	20	30		FEEDHM
O=C(Cc1ccc(Cl)cc1Br)N[C@H]1CCCN([O-])C1=O	ZINC000848136670	681478618	/nfs/dbraw/zinc/47/86/18/681478618.db2.gz	PMDJEGPJHVMRJZ-NSHDSACASA-N	-1	3	361.623	2.141	20	30		FEEDHM
C[C@H](CC(=O)N[C@@H]1CCCN([O-])C1=O)c1ccc(Br)cc1	ZINC000848136811	681478631	/nfs/dbraw/zinc/47/86/31/681478631.db2.gz	RLLYOOQDNRERPZ-ZWNOBZJWSA-N	-1	3	355.232	2.439	20	30		FEEDHM
CC[C@@H]1C[C@H](C=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CCO1	ZINC000779771151	681751807	/nfs/dbraw/zinc/75/18/07/681751807.db2.gz	JRTPGLVJHSVGIG-UKRRQHHQSA-N	-1	3	355.416	2.205	20	30		FEEDHM
C=CCOCC[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl	ZINC000779954704	681775583	/nfs/dbraw/zinc/77/55/83/681775583.db2.gz	UFBXXWFQRCCMEQ-UHFFFAOYSA-N	-1	3	368.238	2.261	20	30		FEEDHM
CC(C)(C)c1nnc(C[N-]S(=O)(=O)Cc2csc(C#N)c2)s1	ZINC000914245721	685500657	/nfs/dbraw/zinc/50/06/57/685500657.db2.gz	LUAALDPHIKHMOS-UHFFFAOYSA-N	-1	3	356.498	2.388	20	30		FEEDHM
CC[C@H]([N-]S(=O)(=O)Cc1c(C)cc(C#N)cc1C)[C@H](O)C(F)(F)F	ZINC000914310077	685503551	/nfs/dbraw/zinc/50/35/51/685503551.db2.gz	QPNSZSYOFIZSAM-KBPBESRZSA-N	-1	3	364.389	2.296	20	30		FEEDHM
C[C@@H](CC(=O)OCC1CC(C)C1)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000851463157	682069237	/nfs/dbraw/zinc/06/92/37/682069237.db2.gz	LOZWHFRIIPLAOX-CPCZMJQVSA-N	-1	3	350.440	2.093	20	30		FEEDHM
CCCC[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OCC(F)F	ZINC000918505640	685539686	/nfs/dbraw/zinc/53/96/86/685539686.db2.gz	DESPDGDRQUHDCB-LLVKDONJSA-N	-1	3	360.382	2.092	20	30		FEEDHM
CC(C)[C@](C)(C#N)NC(=O)COC(=O)CCCc1ccc([O-])c(F)c1	ZINC000787847472	682484208	/nfs/dbraw/zinc/48/42/08/682484208.db2.gz	GGSVSQQYWJNMTB-SFHVURJKSA-N	-1	3	350.390	2.452	20	30		FEEDHM
O=[N+]([O-])c1ccc2c(c1)C(=N[N-]S(=O)(=O)Cc1ccccc1)CCO2	ZINC000788425745	682529153	/nfs/dbraw/zinc/52/91/53/682529153.db2.gz	JLKDNARSJCLKBE-UHFFFAOYSA-N	-1	3	361.379	2.201	20	30		FEEDHM
Cc1nc(SCC(C)C)sc1CC(=O)N[C@H]1CCCN([O-])C1=O	ZINC000854648653	682575028	/nfs/dbraw/zinc/57/50/28/682575028.db2.gz	HFXHYVMIDLMBMT-NSHDSACASA-N	-1	3	357.501	2.239	20	30		FEEDHM
C=CCCO[N-]C(=O)CC[C@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O	ZINC000856032428	682736206	/nfs/dbraw/zinc/73/62/06/682736206.db2.gz	OCVAVASUYZCAPS-CYBMUJFWSA-N	-1	3	351.790	2.169	20	30		FEEDHM
CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N1[C@H](C)C[C@H]1C	ZINC000792536486	682819232	/nfs/dbraw/zinc/81/92/32/682819232.db2.gz	XVUDVZYTVLPFDC-NFAWXSAZSA-N	-1	3	363.483	2.293	20	30		FEEDHM
CNS(=O)(=O)c1ccc(C(=O)/C=C\c2c(F)ccc([O-])c2F)cc1	ZINC000794934510	683004567	/nfs/dbraw/zinc/00/45/67/683004567.db2.gz	SRYVGYZNKNPOQH-VURMDHGXSA-N	-1	3	353.346	2.475	20	30		FEEDHM
CN(C)Cc1csc(C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)n1	ZINC000921092901	683395168	/nfs/dbraw/zinc/39/51/68/683395168.db2.gz	IPYWRXXGFCJUTJ-UHFFFAOYSA-N	-1	3	370.887	2.208	20	30		FEEDHM
C[C@@H](OC(=O)c1cccc2[n-]c(C(F)F)nc21)C(=O)N(C)CCC#N	ZINC000924085027	684401986	/nfs/dbraw/zinc/40/19/86/684401986.db2.gz	YPABPTFLRULCCU-SECBINFHSA-N	-1	3	350.325	2.418	20	30		FEEDHM
CC#CCNC(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21	ZINC000868455079	684496854	/nfs/dbraw/zinc/49/68/54/684496854.db2.gz	MIEAGKMCGUKIPF-GFCCVEGCSA-N	-1	3	353.344	2.392	20	30		FEEDHM
CN(C)c1ccc(C(F)(F)F)cc1NC(=O)N[C@@H]1CCCN([O-])C1=O	ZINC000878014903	686501787	/nfs/dbraw/zinc/50/17/87/686501787.db2.gz	SAUHHCUNFJPWJN-SNVBAGLBSA-N	-1	3	360.336	2.273	20	30		FEEDHM
O=C(Nc1c(F)cc(F)cc1Br)N[C@H]1CCCN([O-])C1=O	ZINC000879315242	686793018	/nfs/dbraw/zinc/79/30/18/686793018.db2.gz	HJFUTEGEKFMMIJ-VIFPVBQESA-N	-1	3	364.146	2.229	20	30		FEEDHM
O=C(Nc1ccc(OCC(F)(F)F)c(F)c1)N[C@@H]1CCCN([O-])C1=O	ZINC000879491631	686836188	/nfs/dbraw/zinc/83/61/88/686836188.db2.gz	JLGUJOUUHBTNMS-SNVBAGLBSA-N	-1	3	365.283	2.269	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(-c2nc(C(C)(C)COC)no2)ccc1F	ZINC000896577589	689899901	/nfs/dbraw/zinc/89/99/01/689899901.db2.gz	PXEZGADIKKXICP-UHFFFAOYSA-N	-1	3	369.418	2.264	20	30		FEEDHM
COC(=O)C1([N-]C(=O)C(F)(F)c2ccccc2C#N)CCSCC1	ZINC000901228817	690627704	/nfs/dbraw/zinc/62/77/04/690627704.db2.gz	CSUOZMOVMXCJBC-UHFFFAOYSA-N	-1	3	354.378	2.205	20	30		FEEDHM
CCCCS(=O)(=O)N1CCC(C(=O)N([O-])Cc2ccc(F)cc2)CC1	ZINC000901375445	690641551	/nfs/dbraw/zinc/64/15/51/690641551.db2.gz	IBJDLFWPPRUOLF-UHFFFAOYSA-N	-1	3	372.462	2.385	20	30		FEEDHM
O=C(CCNS(=O)(=O)c1ccc(F)cc1)N([O-])Cc1ccc(F)cc1	ZINC000901375858	690641655	/nfs/dbraw/zinc/64/16/55/690641655.db2.gz	MCFYQFMJJXVVLE-UHFFFAOYSA-N	-1	3	370.377	2.051	20	30		FEEDHM
CC(C)[C@@H](C#N)[N-]S(=O)(=O)c1ccc(I)s1	ZINC000903621451	690941588	/nfs/dbraw/zinc/94/15/88/690941588.db2.gz	HMPVOJLFCPUPJH-SSDOTTSWSA-N	-1	3	370.237	2.179	20	30		FEEDHM
CCCCN([O-])C(=O)[C@@H](CCSC)NS(=O)(=O)c1ccccc1	ZINC000904207141	691013302	/nfs/dbraw/zinc/01/33/02/691013302.db2.gz	RPHQJJKWAQKENS-CQSZACIVSA-N	-1	3	360.501	2.105	20	30		FEEDHM
CC[C@@H]([N-]S(=O)(=O)c1c(C#N)sc2ccccc21)[C@H](O)C(F)F	ZINC000907226789	691426742	/nfs/dbraw/zinc/42/67/42/691426742.db2.gz	NLNQZWPPLCQUOB-SKDRFNHKSA-N	-1	3	360.407	2.456	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)NCCCCCC(C)=O)ccc1F	ZINC000909082619	691776141	/nfs/dbraw/zinc/77/61/41/691776141.db2.gz	DCYNBFCIXWBTSF-UHFFFAOYSA-N	-1	3	370.446	2.169	20	30		FEEDHM
C=C(Cl)C[C@@H](NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1)C(=O)[O-]	ZINC000910264392	691908328	/nfs/dbraw/zinc/90/83/28/691908328.db2.gz	CHVVNOKODQVEOJ-HUUCEWRRSA-N	-1	3	351.834	2.006	20	30		FEEDHM
Cn1ccnc1[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1)c1ccccc1F	ZINC000017522135	539642126	/nfs/dbraw/zinc/64/21/26/539642126.db2.gz	CWCXQJHXPBENPK-QGZVFWFLSA-N	-1	3	370.409	2.499	20	30		FEEDHM
Cc1cccc([C@H](C/N=C/c2c([O-])c(C)ncc2CO)N2CCOCC2)c1	ZINC000032070346	539928271	/nfs/dbraw/zinc/92/82/71/539928271.db2.gz	MGVOBBFXGJJHHJ-CNSRZQHFSA-N	-1	3	369.465	2.389	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1	ZINC000046241898	540248910	/nfs/dbraw/zinc/24/89/10/540248910.db2.gz	FBVZUQUUBWXRDO-UHFFFAOYSA-N	-1	3	372.812	2.187	20	30		FEEDHM
C[C@@]1(c2cccc(NC(=O)CCc3ccc(C#N)cc3)c2)NC(=O)[N-]C1=O	ZINC000047167366	540293316	/nfs/dbraw/zinc/29/33/16/540293316.db2.gz	RHFMAMNHWSOIFL-FQEVSTJZSA-N	-1	3	362.389	2.184	20	30		FEEDHM
N#Cc1cnn(-c2ccccc2[N-]S(=O)(=O)CCc2ccccc2)c1N	ZINC000055586634	540661503	/nfs/dbraw/zinc/66/15/03/540661503.db2.gz	SPYRVADEVPXJEN-UHFFFAOYSA-N	-1	3	367.434	2.311	20	30		FEEDHM
COC(=O)c1cc(C[N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)oc1C	ZINC000056043122	540696756	/nfs/dbraw/zinc/69/67/56/540696756.db2.gz	DGYWZLJRZMMIOF-UHFFFAOYSA-N	-1	3	368.798	2.378	20	30		FEEDHM
Cc1nc(C)c(CC(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)c(=O)[n-]1	ZINC000541131410	541155109	/nfs/dbraw/zinc/15/51/09/541155109.db2.gz	HICNRPXOBFSRHO-UHFFFAOYSA-N	-1	3	366.356	2.177	20	30		FEEDHM
C=CCOc1ccccc1CNCC[N-]S(=O)(=O)c1cccs1	ZINC000122198401	543704257	/nfs/dbraw/zinc/70/42/57/543704257.db2.gz	FHGJXLJYONPCFR-UHFFFAOYSA-N	-1	3	352.481	2.381	20	30		FEEDHM
Cc1cc(F)ccc1CC[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000126103844	543918441	/nfs/dbraw/zinc/91/84/41/543918441.db2.gz	ODPPGCVRAUHLTF-UHFFFAOYSA-N	-1	3	363.370	2.435	20	30		FEEDHM
CCOCCC1(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CCC1	ZINC000126885643	543961434	/nfs/dbraw/zinc/96/14/34/543961434.db2.gz	LVXDWEMCGVZAIV-UHFFFAOYSA-N	-1	3	367.427	2.342	20	30		FEEDHM
C=CCCS(=O)(=O)[N-][C@H](c1nc[nH]n1)c1cccc(C(F)(F)F)c1	ZINC000128308498	544045087	/nfs/dbraw/zinc/04/50/87/544045087.db2.gz	HKTDBMGNGCBXBD-LBPRGKRZSA-N	-1	3	360.361	2.408	20	30		FEEDHM
COc1ccc(S(=O)(=O)[N-][C@]2(C#N)CCC[C@@H](C)C2)c([N+](=O)[O-])c1	ZINC000130478721	544152823	/nfs/dbraw/zinc/15/28/23/544152823.db2.gz	ATIUNVNRQWABBO-IAQYHMDHSA-N	-1	3	353.400	2.354	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]CCc2ccc(-n3cccn3)cc2)c(F)c1	ZINC000151040231	544499056	/nfs/dbraw/zinc/49/90/56/544499056.db2.gz	PUZCQTNOUCJIEV-UHFFFAOYSA-N	-1	3	370.409	2.404	20	30		FEEDHM
C[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1F)N1CCc2ccccc2C1	ZINC000151053840	544500505	/nfs/dbraw/zinc/50/05/05/544500505.db2.gz	KNSSAHMZJDTZNH-AWEZNQCLSA-N	-1	3	373.453	2.422	20	30		FEEDHM
C=C[C@H](C)[N-]S(=O)(=O)c1cc(OC)c(Br)cc1OC	ZINC000154653283	544932714	/nfs/dbraw/zinc/93/27/14/544932714.db2.gz	WTJSGPWDJLYMIV-QMMMGPOBSA-N	-1	3	350.234	2.319	20	30		FEEDHM
C[C@@H]1CN(CC2CCN(C(=O)c3ccc(C#N)c([O-])c3)CC2)C[C@@H](C)O1	ZINC000187988594	328058524	/nfs/dbraw/zinc/05/85/24/328058524.db2.gz	XXEVPTKECVYBQH-HUUCEWRRSA-N	-1	3	357.454	2.225	20	30		FEEDHM
CN(CCN1CCN(c2ccccc2)CC1)C(=O)c1ccc(C#N)c([O-])c1	ZINC000188478233	328089395	/nfs/dbraw/zinc/08/93/95/328089395.db2.gz	BYWWCGCIPMQTSM-UHFFFAOYSA-N	-1	3	364.449	2.158	20	30		FEEDHM
CCO[C@@H]1C[C@@](O)(C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)C1(C)C	ZINC000188483556	328090032	/nfs/dbraw/zinc/09/00/32/328090032.db2.gz	WEEPZNQJOPRIMG-GDBMZVCRSA-N	-1	3	372.874	2.056	20	30		FEEDHM
C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)c1ccc(C#N)c([O-])c1	ZINC000188521722	328092669	/nfs/dbraw/zinc/09/26/69/328092669.db2.gz	ZJFATMVXLJCEPT-INIZCTEOSA-N	-1	3	364.449	2.204	20	30		FEEDHM
CCOC(=O)[C@@H](CC)N(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C1CC1	ZINC000189216180	328135234	/nfs/dbraw/zinc/13/52/34/328135234.db2.gz	MMLHWUFUMIPSQW-QGZVFWFLSA-N	-1	3	373.453	2.129	20	30		FEEDHM
N#Cc1ccccc1-c1ccc(CNC(=O)C(=O)[N-]c2cnns2)cc1	ZINC000192066213	328297916	/nfs/dbraw/zinc/29/79/16/328297916.db2.gz	MARZXBDJBFGLAX-UHFFFAOYSA-N	-1	3	363.402	2.332	20	30		FEEDHM
CCC1(CC)[C@@H]([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C[C@@H]1OC	ZINC000127003103	326498677	/nfs/dbraw/zinc/49/86/77/326498677.db2.gz	WSXYHLXYYVJIAO-GJZGRUSLSA-N	-1	3	367.427	2.338	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)c1cn(-c2ccccc2)nn1	ZINC000129639613	326544038	/nfs/dbraw/zinc/54/40/38/326544038.db2.gz	SGDPRYCEUJSAMP-LBPRGKRZSA-N	-1	3	371.397	2.318	20	30		FEEDHM
Cc1cccc(OCC[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)c1	ZINC000156187423	326821025	/nfs/dbraw/zinc/82/10/25/326821025.db2.gz	UUMOMXISUYIVAJ-UHFFFAOYSA-N	-1	3	361.379	2.132	20	30		FEEDHM
CCc1cccc(NC(=O)C[N-]S(=O)(=O)c2ccc(F)cc2C#N)c1	ZINC000157011903	326851489	/nfs/dbraw/zinc/85/14/89/326851489.db2.gz	STCZKAJOKMPDQV-UHFFFAOYSA-N	-1	3	361.398	2.177	20	30		FEEDHM
Cc1ccnc([C@@H](NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C2CC2)n1	ZINC000157536728	326868084	/nfs/dbraw/zinc/86/80/84/326868084.db2.gz	RWEQHXXEJOEQGN-SFHVURJKSA-N	-1	3	365.437	2.162	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)C[C@H](O)c1ccccc1	ZINC000161768102	327008668	/nfs/dbraw/zinc/00/86/68/327008668.db2.gz	WXDPXDCTSSRQTO-DJJJIMSYSA-N	-1	3	367.449	2.424	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)[C@H]1COc2ccccc21	ZINC000167592365	327085372	/nfs/dbraw/zinc/08/53/72/327085372.db2.gz	FEQSPNCMNICLRZ-BXUZGUMPSA-N	-1	3	373.390	2.309	20	30		FEEDHM
COC[C@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1ccccc1	ZINC000171317515	327131730	/nfs/dbraw/zinc/13/17/30/327131730.db2.gz	HWLWUQZTMFWVDZ-SFHVURJKSA-N	-1	3	353.422	2.300	20	30		FEEDHM
COC(=O)c1cc(F)cc([N-]S(=O)(=O)c2ccc(C#N)cc2)c1F	ZINC000478706799	561173285	/nfs/dbraw/zinc/17/32/85/561173285.db2.gz	VVNSEAFNRGNMIK-UHFFFAOYSA-N	-1	3	352.318	2.424	20	30		FEEDHM
Cc1ccnc([C@@H]([N-]S(=O)(=O)Cc2ccc(C#N)cc2F)C2CC2)n1	ZINC000480726925	561215283	/nfs/dbraw/zinc/21/52/83/561215283.db2.gz	BOILXFUHWKBUQZ-INIZCTEOSA-N	-1	3	360.414	2.367	20	30		FEEDHM
Cc1nc(C(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)ccc1C#N	ZINC000178346174	546778206	/nfs/dbraw/zinc/77/82/06/546778206.db2.gz	NTLLBMNVRGTCSQ-UHFFFAOYSA-N	-1	3	364.405	2.458	20	30		FEEDHM
CC(C)C[C@H]([N-]S(=O)(=O)CCCCC#N)C(=O)Nc1nccs1	ZINC000179409456	546947825	/nfs/dbraw/zinc/94/78/25/546947825.db2.gz	XXUDKAVITZLULO-LBPRGKRZSA-N	-1	3	358.489	2.110	20	30		FEEDHM
C[C@H](CC#N)N(C)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1	ZINC000180805861	547183056	/nfs/dbraw/zinc/18/30/56/547183056.db2.gz	RDBODBUXZLGQTA-SNVBAGLBSA-N	-1	3	354.407	2.032	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nncn1-c1ccccc1	ZINC000181106803	547251369	/nfs/dbraw/zinc/25/13/69/547251369.db2.gz	IKSINDJBUONXQI-UHFFFAOYSA-N	-1	3	362.393	2.015	20	30		FEEDHM
N#CC(=C([O-])c1ccnc(O[C@@H]2CCOC2)c1)c1nnc2n1CCCCC2	ZINC000183514166	547673768	/nfs/dbraw/zinc/67/37/68/547673768.db2.gz	RYAACLJTDQODOY-CABCVRRESA-N	-1	3	367.409	2.057	20	30		FEEDHM
CC(C)Cn1cnc(S(=O)(=O)[N-][C@@]2(C#N)CCc3ccccc3C2)c1	ZINC000185147937	547940986	/nfs/dbraw/zinc/94/09/86/547940986.db2.gz	ZXMZHOCWAJGEDY-SFHVURJKSA-N	-1	3	358.467	2.269	20	30		FEEDHM
COC(=O)c1cc(S(=O)(=O)[N-][C@]2(C#N)CCc3ccccc3C2)oc1C	ZINC000185147623	547941106	/nfs/dbraw/zinc/94/11/06/547941106.db2.gz	FLGNYGVSASNZLH-GOSISDBHSA-N	-1	3	374.418	2.104	20	30		FEEDHM
N#Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2nnc3n2CCCCC3)c1	ZINC000186111698	548086321	/nfs/dbraw/zinc/08/63/21/548086321.db2.gz	YTQPDTFOJJBQHZ-UHFFFAOYSA-N	-1	3	365.846	2.008	20	30		FEEDHM
N#CC(=C([O-])c1ccc(C(N)=O)nc1)c1nc2ccccc2n1C(F)F	ZINC000194413195	548477802	/nfs/dbraw/zinc/47/78/02/548477802.db2.gz	NKKSNZYRZWXUBK-SNVBAGLBSA-N	-1	3	355.304	2.415	20	30		FEEDHM
CC[C@H]([N-]S(=O)(=O)c1cnc(C)c(C#N)c1)c1nnc2n1CCCCC2	ZINC000489272104	561406983	/nfs/dbraw/zinc/40/69/83/561406983.db2.gz	TVEFXXIHQVCGDL-HNNXBMFYSA-N	-1	3	374.470	2.009	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCN(c3ccccc3F)C2)s1	ZINC000490414308	561432515	/nfs/dbraw/zinc/43/25/15/561432515.db2.gz	NNFJNJRNGMFXIK-NSHDSACASA-N	-1	3	351.428	2.316	20	30		FEEDHM
C=CCN(CC=C)[C@H](CNC(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1)C(C)C	ZINC000263362181	549897457	/nfs/dbraw/zinc/89/74/57/549897457.db2.gz	SEJDBVRCEZLYRK-GVDBMIGSSA-N	-1	3	351.491	2.437	20	30		FEEDHM
CC[C@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)[C@H](O)C(F)(F)F	ZINC000270804998	550309033	/nfs/dbraw/zinc/30/90/33/550309033.db2.gz	BEADRUMDXFULSB-JSGCOSHPSA-N	-1	3	359.348	2.026	20	30		FEEDHM
CN(C)C(=O)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)C1	ZINC000274851086	550559456	/nfs/dbraw/zinc/55/94/56/550559456.db2.gz	HKFXQCYBBFHBCP-QWHCGFSZSA-N	-1	3	369.874	2.137	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-][C@@H](c1ccc2c(c1)OCCO2)C1CC1	ZINC000277005508	550621171	/nfs/dbraw/zinc/62/11/71/550621171.db2.gz	KQNIEFUZZPKZAX-GOSISDBHSA-N	-1	3	371.418	2.154	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-]Cc1ccnc(N2CCCCCC2)c1	ZINC000277085786	550630476	/nfs/dbraw/zinc/63/04/76/550630476.db2.gz	UZUXUZQEAIOQLZ-UHFFFAOYSA-N	-1	3	371.466	2.207	20	30		FEEDHM
COc1cc(F)c([C@H](C)[N-]S(=O)(=O)c2cccnc2C#N)cc1OC	ZINC000277125514	550634906	/nfs/dbraw/zinc/63/49/06/550634906.db2.gz	ZRDBSFGJKMBEPY-JTQLQIEISA-N	-1	3	365.386	2.149	20	30		FEEDHM
CCc1cc(C#N)ccc1OS(=O)(=O)c1c[n-]c(C(=O)N2CCCC2)c1	ZINC000282606187	551251415	/nfs/dbraw/zinc/25/14/15/551251415.db2.gz	RDLLSAYHQFSLFC-UHFFFAOYSA-N	-1	3	373.434	2.452	20	30		FEEDHM
Cn1cc2c(n1)CCC[C@H]2[N-]S(=O)(=O)c1ccc(Cl)cc1C#N	ZINC000282609827	551251598	/nfs/dbraw/zinc/25/15/98/551251598.db2.gz	KTYGVFAYYHPHKB-CQSZACIVSA-N	-1	3	350.831	2.301	20	30		FEEDHM
Cn1cc2c(n1)CCC[C@@H]2[N-]S(=O)(=O)c1ccc(Cl)cc1C#N	ZINC000282609824	551251665	/nfs/dbraw/zinc/25/16/65/551251665.db2.gz	KTYGVFAYYHPHKB-AWEZNQCLSA-N	-1	3	350.831	2.301	20	30		FEEDHM
CC[C@@H](CCO)C[N-]S(=O)(=O)c1cccc(Br)c1C#N	ZINC000283538037	551383813	/nfs/dbraw/zinc/38/38/13/551383813.db2.gz	MYPQMPWVLREPCM-JTQLQIEISA-N	-1	3	361.261	2.008	20	30		FEEDHM
C[C@H]([N-]C(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)C(F)(F)F	ZINC000288400627	552146952	/nfs/dbraw/zinc/14/69/52/552146952.db2.gz	MFKAVKVZGQUDAA-LURJTMIESA-N	-1	3	369.221	2.462	20	30		FEEDHM
C=C(C)[C@@H](CC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)OCC	ZINC000291128628	552590615	/nfs/dbraw/zinc/59/06/15/552590615.db2.gz	NZTDHYIBDWLNGR-CHWSQXEVSA-N	-1	3	350.381	2.275	20	30		FEEDHM
Cc1nccnc1CC[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000293850329	552862288	/nfs/dbraw/zinc/86/22/88/552862288.db2.gz	RFKSTTQBUAAYQL-UHFFFAOYSA-N	-1	3	370.356	2.197	20	30		FEEDHM
C=CCN(CCC#N)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1	ZINC000293900781	552866231	/nfs/dbraw/zinc/86/62/31/552866231.db2.gz	RFBIWDIWHDRGDP-UHFFFAOYSA-N	-1	3	367.446	2.444	20	30		FEEDHM
Cc1cc([C@@](C)(O)C[N-]S(=O)(=O)Cc2ccc(F)cc2C#N)c(C)o1	ZINC000295345796	552990971	/nfs/dbraw/zinc/99/09/71/552990971.db2.gz	YEIPEUUKTIOUBG-KRWDZBQOSA-N	-1	3	366.414	2.234	20	30		FEEDHM
CC(C)c1nc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)n[nH]1	ZINC000295386725	552998238	/nfs/dbraw/zinc/99/82/38/552998238.db2.gz	UIPOTHJZPGIUBO-UHFFFAOYSA-N	-1	3	373.360	2.297	20	30		FEEDHM
CC#CCN(C)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1	ZINC000296972238	553236942	/nfs/dbraw/zinc/23/69/42/553236942.db2.gz	SPLMJUIUDIIKSO-UHFFFAOYSA-N	-1	3	355.435	2.390	20	30		FEEDHM
N#CCN1CCC(NC(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)CC1	ZINC000603039733	553698987	/nfs/dbraw/zinc/69/89/87/553698987.db2.gz	GVDLQLHUXNQVIU-UHFFFAOYSA-N	-1	3	364.759	2.208	20	30		FEEDHM
Cc1ccc(N2CCC[C@@H](NC(=O)c3cc(F)cc4nn[n-]c43)C2)nn1	ZINC000328656119	553802876	/nfs/dbraw/zinc/80/28/76/553802876.db2.gz	NLUFLGGVQZBYCR-GFCCVEGCSA-N	-1	3	355.377	2.169	20	30		FEEDHM
Cc1ccc(N2CCC[C@@H](NC(=O)c3cc(F)cc4[n-]nnc43)C2)nn1	ZINC000328656119	553802878	/nfs/dbraw/zinc/80/28/78/553802878.db2.gz	NLUFLGGVQZBYCR-GFCCVEGCSA-N	-1	3	355.377	2.169	20	30		FEEDHM
Cc1ccc(N2CCC[C@@H](NC(=O)c3cc(F)cc4n[n-]nc43)C2)nn1	ZINC000328656119	553802881	/nfs/dbraw/zinc/80/28/81/553802881.db2.gz	NLUFLGGVQZBYCR-GFCCVEGCSA-N	-1	3	355.377	2.169	20	30		FEEDHM
CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1nnc(-c2ccccn2)[n-]1	ZINC000505786438	561680743	/nfs/dbraw/zinc/68/07/43/561680743.db2.gz	ACTFFHPOVRSBIB-KRWDZBQOSA-N	-1	3	356.386	2.067	20	30		FEEDHM
CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1nc(-c2ccccn2)n[n-]1	ZINC000505786438	561680745	/nfs/dbraw/zinc/68/07/45/561680745.db2.gz	ACTFFHPOVRSBIB-KRWDZBQOSA-N	-1	3	356.386	2.067	20	30		FEEDHM
CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1n[n-]c(-c2ccccn2)n1	ZINC000505786438	561680746	/nfs/dbraw/zinc/68/07/46/561680746.db2.gz	ACTFFHPOVRSBIB-KRWDZBQOSA-N	-1	3	356.386	2.067	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@@H]1CCO[C@@H]1C1CC1	ZINC000328869205	553836018	/nfs/dbraw/zinc/83/60/18/553836018.db2.gz	HMWDSOPLTJXBAN-PSOPSSQASA-N	-1	3	356.419	2.017	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCO[C@@H](c2nccs2)C1	ZINC000329358801	553931729	/nfs/dbraw/zinc/93/17/29/553931729.db2.gz	HQFNZQWXBCUFDS-OAHLLOKOSA-N	-1	3	372.450	2.265	20	30		FEEDHM
C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1	ZINC000329451747	553950186	/nfs/dbraw/zinc/95/01/86/553950186.db2.gz	OYYPDXBXICXPFK-SKDRFNHKSA-N	-1	3	373.438	2.161	20	30		FEEDHM
COc1cc(F)c(S(=O)(=O)[N-][C@](C)(C#N)CCSC)cc1OC	ZINC000508099697	561751821	/nfs/dbraw/zinc/75/18/21/561751821.db2.gz	YZLYPQACZUGPLO-AWEZNQCLSA-N	-1	3	362.448	2.157	20	30		FEEDHM
CO[C@H]1CC[C@@H]([N-]S(=O)(=O)c2cccc(Br)c2C#N)C1	ZINC000330675103	554155366	/nfs/dbraw/zinc/15/53/66/554155366.db2.gz	GWJMXLDCWYTISC-ZJUUUORDSA-N	-1	3	359.245	2.167	20	30		FEEDHM
COCC[C@](C)(C#N)[N-]S(=O)(=O)c1cc(C)c(Br)s1	ZINC000508132810	561752946	/nfs/dbraw/zinc/75/29/46/561752946.db2.gz	OLTANYMSTAAPMP-LLVKDONJSA-N	-1	3	367.290	2.416	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)C(=O)N1CCCC[C@H]1C	ZINC000331261253	554237972	/nfs/dbraw/zinc/23/79/72/554237972.db2.gz	CDEPRYUNWSADIS-NEPJUHHUSA-N	-1	3	369.874	2.279	20	30		FEEDHM
N#C[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br	ZINC000331343625	554249165	/nfs/dbraw/zinc/24/91/65/554249165.db2.gz	PAPDMHCFQATINZ-KWQFWETISA-N	-1	3	374.216	2.328	20	30		FEEDHM
C=CCOc1ccc(C[N-]S(=O)(=O)c2ccc(C(=O)OC)o2)cc1	ZINC000509583613	561806295	/nfs/dbraw/zinc/80/62/95/561806295.db2.gz	LVVQIBPROMCEEZ-UHFFFAOYSA-N	-1	3	351.380	2.110	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-][C@H](Cc2nnc[nH]2)c2ccccc2)s1	ZINC000509784399	561813965	/nfs/dbraw/zinc/81/39/65/561813965.db2.gz	XMKQONXITITIPH-CYBMUJFWSA-N	-1	3	359.436	2.000	20	30		FEEDHM
C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N=c1[n-]n(C)cc1C#N	ZINC000610563518	554530058	/nfs/dbraw/zinc/53/00/58/554530058.db2.gz	HAPKEEQJPZGUBR-WMLDXEAASA-N	-1	3	352.442	2.324	20	30		FEEDHM
COC(=O)C[C@@H]([N-]S(=O)(=O)c1ccccc1C#N)c1ccc(F)cc1	ZINC000510723149	561844639	/nfs/dbraw/zinc/84/46/39/561844639.db2.gz	ZHVYHVQWPNHYAP-OAHLLOKOSA-N	-1	3	362.382	2.280	20	30		FEEDHM
CCCC(=O)N1CCCN(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)CC1	ZINC000363655165	555156566	/nfs/dbraw/zinc/15/65/66/555156566.db2.gz	QBGRHWCGVUWSNE-UHFFFAOYSA-N	-1	3	372.469	2.069	20	30		FEEDHM
COC(=O)c1[n-]c(=NC2CCN(c3ccc(C#N)cn3)CC2)sc1C	ZINC000365053479	555474546	/nfs/dbraw/zinc/47/45/46/555474546.db2.gz	MRJDLODUEYLGHP-UHFFFAOYSA-N	-1	3	357.439	2.586	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCCN(Cc3ccccc3)C2)o1	ZINC000367744621	556128501	/nfs/dbraw/zinc/12/85/01/556128501.db2.gz	DEQYQFVIKURMLT-INIZCTEOSA-N	-1	3	359.451	2.342	20	30		FEEDHM
C=C(C)[C@@H](CC(=O)NC1CCN(C(=O)c2cccc([O-])c2)CC1)OCC	ZINC000371052092	557058630	/nfs/dbraw/zinc/05/86/30/557058630.db2.gz	CSIUQERJWNIQJF-GOSISDBHSA-N	-1	3	360.454	2.484	20	30		FEEDHM
Cc1cc(C#N)ccc1C(=O)N1CC(S(=O)(=O)[N-]c2ccccc2)C1	ZINC000371628246	557244989	/nfs/dbraw/zinc/24/49/89/557244989.db2.gz	LSZOLIWWMSUUDY-UHFFFAOYSA-N	-1	3	355.419	2.133	20	30		FEEDHM
C=CCOc1ccccc1CNC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O	ZINC000521172564	562170978	/nfs/dbraw/zinc/17/09/78/562170978.db2.gz	XZRAVGCSWUTXCP-UHFFFAOYSA-N	-1	3	351.362	2.457	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-]CCc1nc(-c2ccc(F)cc2)c[nH]1	ZINC000375439198	558027377	/nfs/dbraw/zinc/02/73/77/558027377.db2.gz	UKLOKLSDVSYYFF-UHFFFAOYSA-N	-1	3	371.397	2.003	20	30		FEEDHM
N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C[C@@H]1COC2(CCCC2)O1	ZINC000376805079	558223553	/nfs/dbraw/zinc/22/35/53/558223553.db2.gz	SIISGGFUOANFBP-LLVKDONJSA-N	-1	3	356.831	2.176	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2C2CC2)ccc1F	ZINC000377543775	558361045	/nfs/dbraw/zinc/36/10/45/558361045.db2.gz	LMYGIVADXFVIJD-OAHLLOKOSA-N	-1	3	352.431	2.305	20	30		FEEDHM
COC(=O)c1csc(S(=O)(=O)[N-][C@@H](C)c2ccc(C#N)cc2)c1	ZINC000409458242	558694251	/nfs/dbraw/zinc/69/42/51/558694251.db2.gz	RYKIPZBDHUBPHG-JTQLQIEISA-N	-1	3	350.421	2.446	20	30		FEEDHM
CN1CCN(Cc2ccc(NC(=O)c3ccc(C#N)c([O-])c3)cc2)CC1	ZINC000525956795	562261043	/nfs/dbraw/zinc/26/10/43/562261043.db2.gz	GPYXKGFDWGDLHW-UHFFFAOYSA-N	-1	3	350.422	2.264	20	30		FEEDHM
CC(=O)c1ccc(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)cc1[O-]	ZINC000412118044	559015344	/nfs/dbraw/zinc/01/53/44/559015344.db2.gz	WPBDRBNRPUTJHR-GOSISDBHSA-N	-1	3	363.417	2.445	20	30		FEEDHM
CC(C)c1nc(S(=O)(=O)[N-][C@@]2(C#N)CCc3ccccc3C2)cn1C	ZINC000414463123	559165802	/nfs/dbraw/zinc/16/58/02/559165802.db2.gz	ZZBSWAPKZBERLH-SFHVURJKSA-N	-1	3	358.467	2.273	20	30		FEEDHM
CS(=O)(=O)[N-]c1cncc(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)c1	ZINC000416338804	559306524	/nfs/dbraw/zinc/30/65/24/559306524.db2.gz	FCDQYASKNJDNDB-QGZVFWFLSA-N	-1	3	370.434	2.132	20	30		FEEDHM
N#Cc1ccc(Br)cc1S(=O)(=O)[N-]CCOCC1CC1	ZINC000416392087	559309713	/nfs/dbraw/zinc/30/97/13/559309713.db2.gz	SAPCDIQOLUEHBD-UHFFFAOYSA-N	-1	3	359.245	2.026	20	30		FEEDHM
N#Cc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CCO[C@H]1C1CC1	ZINC000416441704	559313086	/nfs/dbraw/zinc/31/30/86/559313086.db2.gz	RLLGUNZGNLGCND-OCCSQVGLSA-N	-1	3	371.256	2.167	20	30		FEEDHM
N#Cc1ccc(Br)cc1S(=O)(=O)[N-][C@H]1CCO[C@@H]1C1CC1	ZINC000416441698	559313113	/nfs/dbraw/zinc/31/31/13/559313113.db2.gz	RLLGUNZGNLGCND-GXTWGEPZSA-N	-1	3	371.256	2.167	20	30		FEEDHM
CC1([N-]S(=O)(=O)c2cc(Br)ccc2C#N)CCOCC1	ZINC000416444671	559313187	/nfs/dbraw/zinc/31/31/87/559313187.db2.gz	JBTZRWKVQWKYBY-UHFFFAOYSA-N	-1	3	359.245	2.168	20	30		FEEDHM
C[C@H]1[C@@H]([N-]S(=O)(=O)c2cc(Br)ccc2C#N)CCCN1C	ZINC000416458249	559314471	/nfs/dbraw/zinc/31/44/71/559314471.db2.gz	QDBIUSQHBZVGLY-GWCFXTLKSA-N	-1	3	372.288	2.082	20	30		FEEDHM
C[C@H](O)C[C@H](C)C[N-]S(=O)(=O)c1cc(Br)ccc1C#N	ZINC000416457908	559314494	/nfs/dbraw/zinc/31/44/94/559314494.db2.gz	IGSICJOTCDKKEL-UWVGGRQHSA-N	-1	3	361.261	2.006	20	30		FEEDHM
COCC(C)(C)C[N-]S(=O)(=O)c1cc(Br)ccc1C#N	ZINC000416483132	559316661	/nfs/dbraw/zinc/31/66/61/559316661.db2.gz	IZMAZAHPLCPNEP-UHFFFAOYSA-N	-1	3	361.261	2.272	20	30		FEEDHM
C[C@H]1CSC[C@@H]1[N-]S(=O)(=O)c1cc(Br)ccc1C#N	ZINC000416480665	559316309	/nfs/dbraw/zinc/31/63/09/559316309.db2.gz	AWSRXCWSLTWLRX-KWQFWETISA-N	-1	3	361.286	2.351	20	30		FEEDHM
CC(C)n1ncnc1C[N-]S(=O)(=O)c1ccc(CC#N)cc1Cl	ZINC000416483139	559316558	/nfs/dbraw/zinc/31/65/58/559316558.db2.gz	JBHSTSZYDUZTOU-UHFFFAOYSA-N	-1	3	353.835	2.057	20	30		FEEDHM
Cc1ccc(C[C@@H](CO)[N-]S(=O)(=O)c2ccc(F)cc2C#N)cc1C	ZINC000416521509	559319624	/nfs/dbraw/zinc/31/96/24/559319624.db2.gz	YVZOOKVBMVIKLC-KRWDZBQOSA-N	-1	3	362.426	2.196	20	30		FEEDHM
CCn1ccc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)n1	ZINC000416575100	559322754	/nfs/dbraw/zinc/32/27/54/559322754.db2.gz	AFWRYXHTCBMLKE-UHFFFAOYSA-N	-1	3	358.345	2.272	20	30		FEEDHM
C[C@@H](C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)CC(F)(F)F	ZINC000416597087	559324211	/nfs/dbraw/zinc/32/42/11/559324211.db2.gz	FWQPJEIFGHCABN-MRVPVSSYSA-N	-1	3	351.306	2.333	20	30		FEEDHM
N#Cc1ccc(Br)cc1S(=O)(=O)[N-]CC1(C#N)CCC1	ZINC000416675896	559329125	/nfs/dbraw/zinc/32/91/25/559329125.db2.gz	XLKPKEYOPPAWSN-UHFFFAOYSA-N	-1	3	354.229	2.293	20	30		FEEDHM
COC1([C@H](C)[N-]S(=O)(=O)c2cccc(Cl)c2C#N)CCOCC1	ZINC000420757229	559502661	/nfs/dbraw/zinc/50/26/61/559502661.db2.gz	DXMXLNGFQCQINP-NSHDSACASA-N	-1	3	358.847	2.074	20	30		FEEDHM
COC(=O)[C@@H](CNC(=O)c1cc(C#N)oc1C)Cc1ccc([O-])c(F)c1	ZINC000422035165	559561926	/nfs/dbraw/zinc/56/19/26/559561926.db2.gz	GNAMCPYAXGCYCZ-GFCCVEGCSA-N	-1	3	360.341	2.066	20	30		FEEDHM
Cc1ccc([N-]S(=O)(=O)c2cnc(C)c(C#N)c2)c(OCCN(C)C)c1	ZINC000427776772	559762188	/nfs/dbraw/zinc/76/21/88/559762188.db2.gz	FXDFUBSAQTUOCL-UHFFFAOYSA-N	-1	3	374.466	2.311	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-]Cc1ccccc1OC(F)(F)F	ZINC000428238753	559772081	/nfs/dbraw/zinc/77/20/81/559772081.db2.gz	MHARSYOTSDLGGJ-UHFFFAOYSA-N	-1	3	357.313	2.330	20	30		FEEDHM
N#Cc1cc(F)ccc1S(=O)(=O)[N-]Cc1cc(Br)ccn1	ZINC000432291538	559855540	/nfs/dbraw/zinc/85/55/40/559855540.db2.gz	LDYCVLARRPBDMC-UHFFFAOYSA-N	-1	3	370.203	2.333	20	30		FEEDHM
CS(=O)(=O)[N-]c1ccccc1NC(=O)c1ncc(C#N)cc1Cl	ZINC000432587880	559861297	/nfs/dbraw/zinc/86/12/97/559861297.db2.gz	BBYYPXRLKFSBMC-UHFFFAOYSA-N	-1	3	350.787	2.230	20	30		FEEDHM
CCOC(=O)[C@H](C[N-]S(=O)(=O)c1ccc(C#N)s1)c1ccccc1	ZINC000435434210	559922934	/nfs/dbraw/zinc/92/29/34/559922934.db2.gz	WOQPTPUYEUNUFF-CQSZACIVSA-N	-1	3	364.448	2.245	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]C[C@@H](CO)Cc2ccc(F)c(F)c2)s1	ZINC000435434888	559923030	/nfs/dbraw/zinc/92/30/30/559923030.db2.gz	VHGRYWGADJNOGT-NSHDSACASA-N	-1	3	372.418	2.027	20	30		FEEDHM
C[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C#N)s2)C(=O)N1c1ccccc1	ZINC000435439690	559923152	/nfs/dbraw/zinc/92/31/52/559923152.db2.gz	WIWBHCHAXOTIPJ-SMDDNHRTSA-N	-1	3	361.448	2.092	20	30		FEEDHM
CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N(CC)C[C@H](C)C#N	ZINC000437388860	559963995	/nfs/dbraw/zinc/96/39/95/559963995.db2.gz	RTJQGCWGSKPPPJ-SNVBAGLBSA-N	-1	3	351.428	2.180	20	30		FEEDHM
CC(C)OC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)C(C)C	ZINC000451834640	560331405	/nfs/dbraw/zinc/33/14/05/560331405.db2.gz	IYALFVOBCAZYJO-AWEZNQCLSA-N	-1	3	358.847	2.466	20	30		FEEDHM
CC(C)OC(=O)[C@@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C(C)C	ZINC000451842789	560331924	/nfs/dbraw/zinc/33/19/24/560331924.db2.gz	RNYDDDOKNYLREO-AWEZNQCLSA-N	-1	3	358.847	2.466	20	30		FEEDHM
CO[C@@H]([C@@H](C)[N-]S(=O)(=O)c1cccc(Br)c1C#N)C1CC1	ZINC000451973752	560341463	/nfs/dbraw/zinc/34/14/63/560341463.db2.gz	RCHKTPISGWLHBY-OTYXRUKQSA-N	-1	3	373.272	2.413	20	30		FEEDHM
C=CCC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)C(=O)OCC	ZINC000451996698	560343874	/nfs/dbraw/zinc/34/38/74/560343874.db2.gz	PWANWLLMEOZNTR-SNVBAGLBSA-N	-1	3	362.429	2.141	20	30		FEEDHM
C=CCC[C@H](CO)[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F	ZINC000452030620	560346630	/nfs/dbraw/zinc/34/66/30/560346630.db2.gz	OBTYZRAFSVJFPK-SECBINFHSA-N	-1	3	357.325	2.330	20	30		FEEDHM
CCO[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000452073019	560349588	/nfs/dbraw/zinc/34/95/88/560349588.db2.gz	XVKHEULCBGXNMQ-TZMCWYRMSA-N	-1	3	353.400	2.092	20	30		FEEDHM
CC(C)(C)c1cc(C#N)c(NC(=O)C(=O)NCc2ncccc2[O-])s1	ZINC000453720480	560399350	/nfs/dbraw/zinc/39/93/50/560399350.db2.gz	BEZSWIQYNJGVNQ-UHFFFAOYSA-N	-1	3	358.423	2.273	20	30		FEEDHM
C=C(CC)CNC(=O)c1cc(C2CC2)nc2c1c(=O)[n-]c(=O)n2CCC	ZINC000456829630	560533846	/nfs/dbraw/zinc/53/38/46/560533846.db2.gz	OYWBKWKXDXVDKI-UHFFFAOYSA-N	-1	3	356.426	2.481	20	30		FEEDHM
N#CCN1CCC(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)CC1	ZINC000462112741	560797789	/nfs/dbraw/zinc/79/77/89/560797789.db2.gz	PWVCBNODLNCUCU-UHFFFAOYSA-N	-1	3	367.418	2.281	20	30		FEEDHM
COC(=O)c1cc([N-]C(=O)c2cc(C#N)cs2)cc(S(C)(=O)=O)c1	ZINC000468193537	560924390	/nfs/dbraw/zinc/92/43/90/560924390.db2.gz	XOGKPXVPGSICIL-UHFFFAOYSA-N	-1	3	364.404	2.062	20	30		FEEDHM
C=CCCCNC(=O)c1cc(C2CC2)nc2c1c(=O)[n-]c(=O)n2CCC	ZINC000468373869	560928224	/nfs/dbraw/zinc/92/82/24/560928224.db2.gz	RQVVILLPTOCKLJ-UHFFFAOYSA-N	-1	3	356.426	2.481	20	30		FEEDHM
CO[C@H](CC[N-]S(=O)(=O)c1cccc(Cl)c1C#N)C(F)(F)F	ZINC000468940817	560942800	/nfs/dbraw/zinc/94/28/00/560942800.db2.gz	KSMNTSJTQQGFGO-LLVKDONJSA-N	-1	3	356.753	2.457	20	30		FEEDHM
C=CCCCC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1	ZINC000476216962	561113584	/nfs/dbraw/zinc/11/35/84/561113584.db2.gz	LPZRBBNYULOKCP-UHFFFAOYSA-N	-1	3	372.512	2.106	20	30		FEEDHM
C[C@]1(C[N-]S(=O)(=O)c2ccsc2C#N)COc2ccccc2O1	ZINC000528451292	562330034	/nfs/dbraw/zinc/33/00/34/562330034.db2.gz	ISZVRLRSZFDTJS-HNNXBMFYSA-N	-1	3	350.421	2.128	20	30		FEEDHM
C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[N-]S(=O)(=O)c1cccc(Br)c1C#N	ZINC000528545433	562335238	/nfs/dbraw/zinc/33/52/38/562335238.db2.gz	XRAKEJRCHFCYRD-QOBXEIRBSA-N	-1	3	373.272	2.411	20	30		FEEDHM
N#C[C@@H](NC(=O)CC[N-]S(=O)(=O)c1cccs1)C1CCCCC1	ZINC000530893465	562427650	/nfs/dbraw/zinc/42/76/50/562427650.db2.gz	MWXRUWXKNIBTMQ-CYBMUJFWSA-N	-1	3	355.485	2.005	20	30		FEEDHM
C=CCN(C(=O)C[N-]S(=O)(=O)CCCC)c1nc2c(s1)CCCC2	ZINC000534147406	562526527	/nfs/dbraw/zinc/52/65/27/562526527.db2.gz	SVQBVXVAHCHPTD-UHFFFAOYSA-N	-1	3	371.528	2.260	20	30		FEEDHM
Cc1cnc([C@@H](C)C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)s1	ZINC000541808903	562620276	/nfs/dbraw/zinc/62/02/76/562620276.db2.gz	FTFNSAJXTXZBLU-VIFPVBQESA-N	-1	3	366.424	2.313	20	30		FEEDHM
COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@@H](C#N)C2CCCCC2)c1	ZINC000542000724	562625410	/nfs/dbraw/zinc/62/54/10/562625410.db2.gz	MJVHRPPSXMVJGM-HNNXBMFYSA-N	-1	3	354.403	2.363	20	30		FEEDHM
N#CC1(CS(=O)(=O)[N-]CC(=O)Nc2ccc(Cl)cc2)CCCC1	ZINC000546092320	562633462	/nfs/dbraw/zinc/63/34/62/562633462.db2.gz	PWINTSOPSVQHMS-UHFFFAOYSA-N	-1	3	355.847	2.282	20	30		FEEDHM
C[C@@H]1CN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)C[C@H](C)N1CC#N	ZINC000602862397	568049788	/nfs/dbraw/zinc/04/97/88/568049788.db2.gz	NRNUYLPLSJHYQR-BETUJISGSA-N	-1	3	351.410	2.500	20	30		FEEDHM
Cn1[n-]c(-c2ccccc2Cl)nc1=NS(=O)(=O)c1cccc(C#N)c1	ZINC000570328774	568470007	/nfs/dbraw/zinc/47/00/07/568470007.db2.gz	XMTUGQZTZWLSHB-UHFFFAOYSA-N	-1	3	373.825	2.230	20	30		FEEDHM
C=CCCCCCN(C)C(=O)NCCNc1ncccc1-c1nnn[n-]1	ZINC000735409272	598905482	/nfs/dbraw/zinc/90/54/82/598905482.db2.gz	XJFKIEJWVQMFAL-UHFFFAOYSA-N	-1	3	358.450	2.061	20	30		FEEDHM
C=CCCCCCN(C)C(=O)NCCNc1ncccc1-c1nn[n-]n1	ZINC000735409272	598905484	/nfs/dbraw/zinc/90/54/84/598905484.db2.gz	XJFKIEJWVQMFAL-UHFFFAOYSA-N	-1	3	358.450	2.061	20	30		FEEDHM
COc1ccc(O[C@@H](C)C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1	ZINC000737109408	598917177	/nfs/dbraw/zinc/91/71/77/598917177.db2.gz	PNSWEFIBNDGJDB-NSHDSACASA-N	-1	3	364.365	2.153	20	30		FEEDHM
COc1ccc(O[C@@H](C)C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1	ZINC000737109408	598917178	/nfs/dbraw/zinc/91/71/78/598917178.db2.gz	PNSWEFIBNDGJDB-NSHDSACASA-N	-1	3	364.365	2.153	20	30		FEEDHM
N#Cc1cc(NC(=O)COc2ccccc2Cl)ccc1-c1nnn[n-]1	ZINC000737710174	598920336	/nfs/dbraw/zinc/92/03/36/598920336.db2.gz	UXFNCBZTGSMWDC-UHFFFAOYSA-N	-1	3	354.757	2.409	20	30		FEEDHM
N#Cc1cc(NC(=O)COc2ccccc2Cl)ccc1-c1nn[n-]n1	ZINC000737710174	598920338	/nfs/dbraw/zinc/92/03/38/598920338.db2.gz	UXFNCBZTGSMWDC-UHFFFAOYSA-N	-1	3	354.757	2.409	20	30		FEEDHM
Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N(CCC#N)c1ccccc1	ZINC000737295986	598931222	/nfs/dbraw/zinc/93/12/22/598931222.db2.gz	DJUSJPIVFJRWOM-UHFFFAOYSA-N	-1	3	368.422	2.284	20	30		FEEDHM
Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N(CCC#N)c1ccccc1	ZINC000737295986	598931224	/nfs/dbraw/zinc/93/12/24/598931224.db2.gz	DJUSJPIVFJRWOM-UHFFFAOYSA-N	-1	3	368.422	2.284	20	30		FEEDHM
Clc1cc(C=NNCc2ccc(-c3nnn[n-]3)cc2)cc2c1OCO2	ZINC000822568625	607254479	/nfs/dbraw/zinc/25/44/79/607254479.db2.gz	UIMUIJSSUKWHRW-UHFFFAOYSA-N	-1	3	356.773	2.373	20	30		FEEDHM
Clc1cc(C=NNCc2ccc(-c3nn[n-]n3)cc2)cc2c1OCO2	ZINC000822568625	607254480	/nfs/dbraw/zinc/25/44/80/607254480.db2.gz	UIMUIJSSUKWHRW-UHFFFAOYSA-N	-1	3	356.773	2.373	20	30		FEEDHM
CCN([C@H](C)c1ccc(-c2nnn[n-]2)cc1)S(=O)(=O)CCCCC#N	ZINC000736509356	598971443	/nfs/dbraw/zinc/97/14/43/598971443.db2.gz	VPSAUALBVSKMSG-CYBMUJFWSA-N	-1	3	362.459	2.273	20	30		FEEDHM
CCN([C@H](C)c1ccc(-c2nn[n-]n2)cc1)S(=O)(=O)CCCCC#N	ZINC000736509356	598971444	/nfs/dbraw/zinc/97/14/44/598971444.db2.gz	VPSAUALBVSKMSG-CYBMUJFWSA-N	-1	3	362.459	2.273	20	30		FEEDHM
C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)c1sccc1C#N	ZINC000736039409	599027974	/nfs/dbraw/zinc/02/79/74/599027974.db2.gz	JAPJGOHPWLIOQX-JTQLQIEISA-N	-1	3	355.379	2.424	20	30		FEEDHM
C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)c1sccc1C#N	ZINC000736039409	599027976	/nfs/dbraw/zinc/02/79/76/599027976.db2.gz	JAPJGOHPWLIOQX-JTQLQIEISA-N	-1	3	355.379	2.424	20	30		FEEDHM
COc1ccc(CCNN=Cc2ccc(OC)c(-c3nnn[n-]3)c2)cc1	ZINC000737090374	599129003	/nfs/dbraw/zinc/12/90/03/599129003.db2.gz	NLERYUADBNVXNA-UHFFFAOYSA-N	-1	3	352.398	2.050	20	30		FEEDHM
COc1ccc(CCNN=Cc2ccc(OC)c(-c3nn[n-]n3)c2)cc1	ZINC000737090374	599129005	/nfs/dbraw/zinc/12/90/05/599129005.db2.gz	NLERYUADBNVXNA-UHFFFAOYSA-N	-1	3	352.398	2.050	20	30		FEEDHM
C[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1	ZINC000736188502	599190830	/nfs/dbraw/zinc/19/08/30/599190830.db2.gz	KMAFJCATBHXCJY-SNVBAGLBSA-N	-1	3	352.329	2.283	20	30		FEEDHM
C[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1	ZINC000736188502	599190832	/nfs/dbraw/zinc/19/08/32/599190832.db2.gz	KMAFJCATBHXCJY-SNVBAGLBSA-N	-1	3	352.329	2.283	20	30		FEEDHM
CN(C)c1ccc(CCC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1	ZINC000736774281	599196767	/nfs/dbraw/zinc/19/67/67/599196767.db2.gz	TXFCKUSSEPYHLI-UHFFFAOYSA-N	-1	3	361.409	2.376	20	30		FEEDHM
CN(C)c1ccc(CCC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1	ZINC000736774281	599196769	/nfs/dbraw/zinc/19/67/69/599196769.db2.gz	TXFCKUSSEPYHLI-UHFFFAOYSA-N	-1	3	361.409	2.376	20	30		FEEDHM
COc1cc(CN(C)CC#N)ccc1OCc1cccc(-c2nnn[n-]2)c1	ZINC000737046059	599208619	/nfs/dbraw/zinc/20/86/19/599208619.db2.gz	ZXRODTBDUAVSNN-UHFFFAOYSA-N	-1	3	364.409	2.410	20	30		FEEDHM
COc1cc(CN(C)CC#N)ccc1OCc1cccc(-c2nn[n-]n2)c1	ZINC000737046059	599208620	/nfs/dbraw/zinc/20/86/20/599208620.db2.gz	ZXRODTBDUAVSNN-UHFFFAOYSA-N	-1	3	364.409	2.410	20	30		FEEDHM
Cc1cc(C)c(-c2nnn[n-]2)c(N2CCN(c3ccccc3C#N)CC2)n1	ZINC000737246432	598245289	/nfs/dbraw/zinc/24/52/89/598245289.db2.gz	UKAADEVMUNLHRW-UHFFFAOYSA-N	-1	3	360.425	2.077	20	30		FEEDHM
Cc1cc(C)c(-c2nn[n-]n2)c(N2CCN(c3ccccc3C#N)CC2)n1	ZINC000737246432	598245291	/nfs/dbraw/zinc/24/52/91/598245291.db2.gz	UKAADEVMUNLHRW-UHFFFAOYSA-N	-1	3	360.425	2.077	20	30		FEEDHM
CCC[C@@H](C#N)NC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1	ZINC000736415274	598331375	/nfs/dbraw/zinc/33/13/75/598331375.db2.gz	GDKSTPAJLRIUEI-LBPRGKRZSA-N	-1	3	366.381	2.461	20	30		FEEDHM
CCC[C@@H](C#N)NC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1	ZINC000736415274	598331377	/nfs/dbraw/zinc/33/13/77/598331377.db2.gz	GDKSTPAJLRIUEI-LBPRGKRZSA-N	-1	3	366.381	2.461	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C(=O)c1ccc(F)cc1	ZINC000735419028	598388665	/nfs/dbraw/zinc/38/86/65/598388665.db2.gz	OYPQJYSRRHFCGD-UHFFFAOYSA-N	-1	3	365.368	2.403	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C(=O)c1ccc(F)cc1	ZINC000735419028	598388667	/nfs/dbraw/zinc/38/86/67/598388667.db2.gz	OYPQJYSRRHFCGD-UHFFFAOYSA-N	-1	3	365.368	2.403	20	30		FEEDHM
N#Cc1ccc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)nc1	ZINC000737710613	598437760	/nfs/dbraw/zinc/43/77/60/598437760.db2.gz	AZRSAHWTYPMJGP-UHFFFAOYSA-N	-1	3	351.395	2.326	20	30		FEEDHM
N#Cc1ccc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)nc1	ZINC000737710613	598437762	/nfs/dbraw/zinc/43/77/62/598437762.db2.gz	AZRSAHWTYPMJGP-UHFFFAOYSA-N	-1	3	351.395	2.326	20	30		FEEDHM
CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1ccc(C#N)cn1	ZINC000736629145	598438027	/nfs/dbraw/zinc/43/80/27/598438027.db2.gz	UQRPEFPTDRCGAR-UHFFFAOYSA-N	-1	3	370.756	2.405	20	30		FEEDHM
CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1ccc(C#N)cn1	ZINC000736629145	598438029	/nfs/dbraw/zinc/43/80/29/598438029.db2.gz	UQRPEFPTDRCGAR-UHFFFAOYSA-N	-1	3	370.756	2.405	20	30		FEEDHM
CCN(CC#N)C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1	ZINC000736512130	598540729	/nfs/dbraw/zinc/54/07/29/598540729.db2.gz	MJSTZOVCLGRDAZ-UHFFFAOYSA-N	-1	3	352.354	2.024	20	30		FEEDHM
N#Cc1cccc(CNC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)c1	ZINC000737722174	598577850	/nfs/dbraw/zinc/57/78/50/598577850.db2.gz	FFEILRHFXMHQAU-SFHVURJKSA-N	-1	3	373.420	2.024	20	30		FEEDHM
N#Cc1ccc(NCC(=O)OCc2ccc(F)cc2-c2nnn[n-]2)cc1	ZINC000737719548	598709820	/nfs/dbraw/zinc/70/98/20/598709820.db2.gz	RXGNPELINUPYKE-UHFFFAOYSA-N	-1	3	352.329	2.033	20	30		FEEDHM
N#Cc1ccc(NCC(=O)OCc2ccc(F)cc2-c2nn[n-]n2)cc1	ZINC000737719548	598709822	/nfs/dbraw/zinc/70/98/22/598709822.db2.gz	RXGNPELINUPYKE-UHFFFAOYSA-N	-1	3	352.329	2.033	20	30		FEEDHM
N#Cc1cc(-c2nnn[n-]2)c(N)nc1SCc1c(F)cccc1[N+](=O)[O-]	ZINC000737704381	598733829	/nfs/dbraw/zinc/73/38/29/598733829.db2.gz	FDBXVNOGEFSYEA-UHFFFAOYSA-N	-1	3	372.345	2.055	20	30		FEEDHM
N#Cc1cc(-c2nn[n-]n2)c(N)nc1SCc1c(F)cccc1[N+](=O)[O-]	ZINC000737704381	598733830	/nfs/dbraw/zinc/73/38/30/598733830.db2.gz	FDBXVNOGEFSYEA-UHFFFAOYSA-N	-1	3	372.345	2.055	20	30		FEEDHM
C#Cc1ccc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)nc1	ZINC000735389792	598734623	/nfs/dbraw/zinc/73/46/23/598734623.db2.gz	KAMJNOWBBXPBCV-UHFFFAOYSA-N	-1	3	350.407	2.436	20	30		FEEDHM
C#Cc1ccc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)nc1	ZINC000735389792	598734625	/nfs/dbraw/zinc/73/46/25/598734625.db2.gz	KAMJNOWBBXPBCV-UHFFFAOYSA-N	-1	3	350.407	2.436	20	30		FEEDHM
C#CCCS(=O)(=O)[N-]C1(c2noc([C@H]3CCCO3)n2)CCCCCC1	ZINC000808303106	674451043	/nfs/dbraw/zinc/45/10/43/674451043.db2.gz	RZPQZAGBWCXEHC-CQSZACIVSA-N	-1	3	367.471	2.413	20	30		FEEDHM
N#CCCCCNC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1	ZINC000737686765	598748836	/nfs/dbraw/zinc/74/88/36/598748836.db2.gz	DECKYBJSVYTXNY-UHFFFAOYSA-N	-1	3	366.381	2.462	20	30		FEEDHM
CC(C)CCN(CCC#N)C(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1	ZINC000735803504	598752224	/nfs/dbraw/zinc/75/22/24/598752224.db2.gz	FUCQZJMTBJFGNN-AWEZNQCLSA-N	-1	3	356.430	2.422	20	30		FEEDHM
CC(C)CCN(CCC#N)C(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1	ZINC000735803504	598752225	/nfs/dbraw/zinc/75/22/25/598752225.db2.gz	FUCQZJMTBJFGNN-AWEZNQCLSA-N	-1	3	356.430	2.422	20	30		FEEDHM
N#CCCN(CC1CC1)C(=O)CSCc1ccc(-c2nnn[n-]2)cc1	ZINC000737685355	598753384	/nfs/dbraw/zinc/75/33/84/598753384.db2.gz	CHLSASCOQCAFPJ-UHFFFAOYSA-N	-1	3	356.455	2.252	20	30		FEEDHM
N#CCCN(CC1CC1)C(=O)CSCc1ccc(-c2nn[n-]n2)cc1	ZINC000737685355	598753386	/nfs/dbraw/zinc/75/33/86/598753386.db2.gz	CHLSASCOQCAFPJ-UHFFFAOYSA-N	-1	3	356.455	2.252	20	30		FEEDHM
O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1cccc([N+](=O)[O-])c1	ZINC000737810219	599458916	/nfs/dbraw/zinc/45/89/16/599458916.db2.gz	YHGCATUYYUEXHG-WAYWQWQTSA-N	-1	3	361.321	2.319	20	30		FEEDHM
O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1cccc([N+](=O)[O-])c1	ZINC000737810219	599458918	/nfs/dbraw/zinc/45/89/18/599458918.db2.gz	YHGCATUYYUEXHG-WAYWQWQTSA-N	-1	3	361.321	2.319	20	30		FEEDHM
O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1cccc([N+](=O)[O-])c1	ZINC000737810216	599458929	/nfs/dbraw/zinc/45/89/29/599458929.db2.gz	YHGCATUYYUEXHG-AATRIKPKSA-N	-1	3	361.321	2.319	20	30		FEEDHM
O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1cccc([N+](=O)[O-])c1	ZINC000737810216	599458931	/nfs/dbraw/zinc/45/89/31/599458931.db2.gz	YHGCATUYYUEXHG-AATRIKPKSA-N	-1	3	361.321	2.319	20	30		FEEDHM
CC(=O)Nc1cccc(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)c1	ZINC000735487992	599459907	/nfs/dbraw/zinc/45/99/07/599459907.db2.gz	DZVBOJLHAVXBCW-SREVYHEPSA-N	-1	3	373.376	2.369	20	30		FEEDHM
CC(=O)Nc1cccc(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)c1	ZINC000735487992	599459909	/nfs/dbraw/zinc/45/99/09/599459909.db2.gz	DZVBOJLHAVXBCW-SREVYHEPSA-N	-1	3	373.376	2.369	20	30		FEEDHM
C[C@H](NC(=O)NCc1cc(C#N)ccc1F)c1cccc(-c2nnn[n-]2)c1	ZINC000820368154	599461009	/nfs/dbraw/zinc/46/10/09/599461009.db2.gz	WYGBFNKVMZCMBF-NSHDSACASA-N	-1	3	365.372	2.438	20	30		FEEDHM
C[C@H](NC(=O)NCc1cc(C#N)ccc1F)c1cccc(-c2nn[n-]n2)c1	ZINC000820368154	599461014	/nfs/dbraw/zinc/46/10/14/599461014.db2.gz	WYGBFNKVMZCMBF-NSHDSACASA-N	-1	3	365.372	2.438	20	30		FEEDHM
O=C1C(=Cc2cnc3ccc(-c4nnn[n-]4)cn23)COc2c(F)cccc21	ZINC000738288751	599464163	/nfs/dbraw/zinc/46/41/63/599464163.db2.gz	FNYNLFQFDQANLI-IZZDOVSWSA-N	-1	3	362.324	2.312	20	30		FEEDHM
O=C1C(=Cc2cnc3ccc(-c4nn[n-]n4)cn23)COc2c(F)cccc21	ZINC000738288751	599464165	/nfs/dbraw/zinc/46/41/65/599464165.db2.gz	FNYNLFQFDQANLI-IZZDOVSWSA-N	-1	3	362.324	2.312	20	30		FEEDHM
N#Cc1ccc(F)c(CNC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c1	ZINC000822825714	599464769	/nfs/dbraw/zinc/46/47/69/599464769.db2.gz	MNKLRUAMCPPCCH-UHFFFAOYSA-N	-1	3	369.335	2.016	20	30		FEEDHM
N#Cc1ccc(F)c(CNC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c1	ZINC000822825714	599464772	/nfs/dbraw/zinc/46/47/72/599464772.db2.gz	MNKLRUAMCPPCCH-UHFFFAOYSA-N	-1	3	369.335	2.016	20	30		FEEDHM
C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H](C)c1cccc(C#N)c1	ZINC000820530257	599527051	/nfs/dbraw/zinc/52/70/51/599527051.db2.gz	YXMDVSZCNOUXBV-CHWSQXEVSA-N	-1	3	362.393	2.383	20	30		FEEDHM
C[C@@H](NC(=O)Cc1ccc(OCC#N)cc1)c1cccc(-c2nnn[n-]2)c1	ZINC000820335116	599535747	/nfs/dbraw/zinc/53/57/47/599535747.db2.gz	SQQRWENYQFUUSY-CYBMUJFWSA-N	-1	3	362.393	2.189	20	30		FEEDHM
C[C@@H](NC(=O)Cc1ccc(OCC#N)cc1)c1cccc(-c2nn[n-]n2)c1	ZINC000820335116	599535749	/nfs/dbraw/zinc/53/57/49/599535749.db2.gz	SQQRWENYQFUUSY-CYBMUJFWSA-N	-1	3	362.393	2.189	20	30		FEEDHM
COc1ccc(NC(=O)C(C#N)C(=O)CCCN(C)C(=O)[O-])cc1Cl	ZINC000738027036	599912277	/nfs/dbraw/zinc/91/22/77/599912277.db2.gz	UIIOCGGHUHZXSV-LLVKDONJSA-N	-1	3	367.789	2.386	20	30		FEEDHM
O=C1c2ccccc2S(=O)(=O)CC1=Cc1ccc(-c2nnn[n-]2)cc1F	ZINC000823504608	607457025	/nfs/dbraw/zinc/45/70/25/607457025.db2.gz	RVPWJIPDLOPFIA-GHXNOFRVSA-N	-1	3	370.365	2.059	20	30		FEEDHM
O=C1c2ccccc2S(=O)(=O)CC1=Cc1ccc(-c2nn[n-]n2)cc1F	ZINC000823504608	607457027	/nfs/dbraw/zinc/45/70/27/607457027.db2.gz	RVPWJIPDLOPFIA-GHXNOFRVSA-N	-1	3	370.365	2.059	20	30		FEEDHM
Fc1ccccc1NC(=S)NN=Cc1ccc(-c2nnn[n-]2)cc1F	ZINC000822740740	607463892	/nfs/dbraw/zinc/46/38/92/607463892.db2.gz	MYFRTEUQNJRRGT-UHFFFAOYSA-N	-1	3	359.365	2.465	20	30		FEEDHM
Fc1ccccc1NC(=S)NN=Cc1ccc(-c2nn[n-]n2)cc1F	ZINC000822740740	607463893	/nfs/dbraw/zinc/46/38/93/607463893.db2.gz	MYFRTEUQNJRRGT-UHFFFAOYSA-N	-1	3	359.365	2.465	20	30		FEEDHM
Fc1cc(-c2nnn[n-]2)ccc1C=NN1C(=S)N=NC1[C@@H]1CCCCO1	ZINC000822739640	607465256	/nfs/dbraw/zinc/46/52/56/607465256.db2.gz	AZYUBCGSCXYPKF-LBPRGKRZSA-N	-1	3	374.405	2.010	20	30		FEEDHM
Fc1cc(-c2nn[n-]n2)ccc1C=NN1C(=S)N=NC1[C@@H]1CCCCO1	ZINC000822739640	607465257	/nfs/dbraw/zinc/46/52/57/607465257.db2.gz	AZYUBCGSCXYPKF-LBPRGKRZSA-N	-1	3	374.405	2.010	20	30		FEEDHM
N#Cc1ccc(C(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc1	ZINC000833070677	601734933	/nfs/dbraw/zinc/73/49/33/601734933.db2.gz	QQWCBIXJVHHZQW-NRFANRHFSA-N	-1	3	363.417	2.407	20	30		FEEDHM
C[C@@H]1CN(C(=O)[O-])CCN1CC(=O)C(C#N)c1nc2ccccc2s1	ZINC000739158476	602738079	/nfs/dbraw/zinc/73/80/79/602738079.db2.gz	BJRRJLLRUQGTLE-NEPJUHHUSA-N	-1	3	358.423	2.157	20	30		FEEDHM
C=CCOc1ccccc1C(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1	ZINC000823932006	607590065	/nfs/dbraw/zinc/59/00/65/607590065.db2.gz	KGSBRHRDXWBUBJ-UHFFFAOYSA-N	-1	3	365.393	2.370	20	30		FEEDHM
C=CCOc1ccccc1C(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1	ZINC000823932006	607590067	/nfs/dbraw/zinc/59/00/67/607590067.db2.gz	KGSBRHRDXWBUBJ-UHFFFAOYSA-N	-1	3	365.393	2.370	20	30		FEEDHM
C[C@@H]1CN(CC(=O)C(C#N)c2nc3ccccc3s2)CCN1C(=O)[O-]	ZINC000739175240	603361527	/nfs/dbraw/zinc/36/15/27/603361527.db2.gz	KCIRFMRUMISDLH-NEPJUHHUSA-N	-1	3	358.423	2.157	20	30		FEEDHM
C=CCN1CCC(NC(=O)NCc2ccc([C@H](C)NC(=O)[O-])cc2)CC1	ZINC000823507337	604433199	/nfs/dbraw/zinc/43/31/99/604433199.db2.gz	VPKHKEPZIGQJNH-AWEZNQCLSA-N	-1	3	360.458	2.465	20	30		FEEDHM
Cn1cc(CN2CCC[C@H](CNC(=O)[O-])C2)c(-c2ccc(C#N)cc2)n1	ZINC000833949714	605567067	/nfs/dbraw/zinc/56/70/67/605567067.db2.gz	VRMUNJJSBGDZOS-OAHLLOKOSA-N	-1	3	353.426	2.438	20	30		FEEDHM
CCN(C)c1ccc(CSc2nc(N)c(C#N)cc2-c2nnn[n-]2)cc1	ZINC000821165046	606170426	/nfs/dbraw/zinc/17/04/26/606170426.db2.gz	NXORUHOIJCWYCR-UHFFFAOYSA-N	-1	3	366.454	2.464	20	30		FEEDHM
CCN(C)c1ccc(CSc2nc(N)c(C#N)cc2-c2nn[n-]n2)cc1	ZINC000821165046	606170428	/nfs/dbraw/zinc/17/04/28/606170428.db2.gz	NXORUHOIJCWYCR-UHFFFAOYSA-N	-1	3	366.454	2.464	20	30		FEEDHM
c1c(CON=C2CCC3(CC2)OCCO3)c(-c2nnn[n-]2)c2ccccn12	ZINC000823809065	606176242	/nfs/dbraw/zinc/17/62/42/606176242.db2.gz	IIBCDCOEVWKHPO-UHFFFAOYSA-N	-1	3	368.397	2.309	20	30		FEEDHM
c1c(CON=C2CCC3(CC2)OCCO3)c(-c2nn[n-]n2)c2ccccn12	ZINC000823809065	606176243	/nfs/dbraw/zinc/17/62/43/606176243.db2.gz	IIBCDCOEVWKHPO-UHFFFAOYSA-N	-1	3	368.397	2.309	20	30		FEEDHM
COc1cccc(NC(=S)NN=Cc2cc(-c3nnn[n-]3)cs2)c1	ZINC000821872192	606203909	/nfs/dbraw/zinc/20/39/09/606203909.db2.gz	KDMCVEURRGOZJH-UHFFFAOYSA-N	-1	3	359.440	2.257	20	30		FEEDHM
COc1cccc(NC(=S)NN=Cc2cc(-c3nn[n-]n3)cs2)c1	ZINC000821872192	606203911	/nfs/dbraw/zinc/20/39/11/606203911.db2.gz	KDMCVEURRGOZJH-UHFFFAOYSA-N	-1	3	359.440	2.257	20	30		FEEDHM
Cc1ccc(C#N)cc1N[C@@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O	ZINC000822225339	606248611	/nfs/dbraw/zinc/24/86/11/606248611.db2.gz	ZGIOLTOMFVYSOQ-CYBMUJFWSA-N	-1	3	365.422	2.326	20	30		FEEDHM
Cc1ccc(C#N)cc1N[C@@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O	ZINC000822225339	606248612	/nfs/dbraw/zinc/24/86/12/606248612.db2.gz	ZGIOLTOMFVYSOQ-CYBMUJFWSA-N	-1	3	365.422	2.326	20	30		FEEDHM
Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1ccccc1SCCC#N	ZINC000822655004	606250370	/nfs/dbraw/zinc/25/03/70/606250370.db2.gz	BGIGNYZWQPQJDE-UHFFFAOYSA-N	-1	3	353.411	2.463	20	30		FEEDHM
Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1ccccc1SCCC#N	ZINC000822655004	606250372	/nfs/dbraw/zinc/25/03/72/606250372.db2.gz	BGIGNYZWQPQJDE-UHFFFAOYSA-N	-1	3	353.411	2.463	20	30		FEEDHM
O=C1C(=Cc2cc(-c3nnn[n-]3)cs2)COc2cc3c(cc21)OCO3	ZINC000823504794	606306830	/nfs/dbraw/zinc/30/68/30/606306830.db2.gz	UQKKCNALSQCSLB-QPIMQUGISA-N	-1	3	354.347	2.316	20	30		FEEDHM
O=C1C(=Cc2cc(-c3nn[n-]n3)cs2)COc2cc3c(cc21)OCO3	ZINC000823504794	606306832	/nfs/dbraw/zinc/30/68/32/606306832.db2.gz	UQKKCNALSQCSLB-QPIMQUGISA-N	-1	3	354.347	2.316	20	30		FEEDHM
COC(=O)[C@H](N[C@@H](C)c1cccc(C#N)c1)c1cccc(-c2nnn[n-]2)c1	ZINC000821640629	606309921	/nfs/dbraw/zinc/30/99/21/606309921.db2.gz	LRILIJBACLCRCJ-YVEFUNNKSA-N	-1	3	362.393	2.303	20	30		FEEDHM
COC(=O)[C@H](N[C@@H](C)c1cccc(C#N)c1)c1cccc(-c2nn[n-]n2)c1	ZINC000821640629	606309923	/nfs/dbraw/zinc/30/99/23/606309923.db2.gz	LRILIJBACLCRCJ-YVEFUNNKSA-N	-1	3	362.393	2.303	20	30		FEEDHM
Cc1c(C)n(C2CCCC2)c(NC(=O)CN(C)CCC#N)c1-c1nnn[n-]1	ZINC000822016323	606332980	/nfs/dbraw/zinc/33/29/80/606332980.db2.gz	XIXLNTUBTCZMEK-UHFFFAOYSA-N	-1	3	370.461	2.184	20	30		FEEDHM
Cc1c(C)n(C2CCCC2)c(NC(=O)CN(C)CCC#N)c1-c1nn[n-]n1	ZINC000822016323	606332981	/nfs/dbraw/zinc/33/29/81/606332981.db2.gz	XIXLNTUBTCZMEK-UHFFFAOYSA-N	-1	3	370.461	2.184	20	30		FEEDHM
COc1cccc(C#CCOC(=O)CCc2ccc(-c3nnn[n-]3)cc2)c1	ZINC000821853873	606397014	/nfs/dbraw/zinc/39/70/14/606397014.db2.gz	BZGJTPDUGVOQMB-UHFFFAOYSA-N	-1	3	362.389	2.403	20	30		FEEDHM
COc1cccc(C#CCOC(=O)CCc2ccc(-c3nn[n-]n3)cc2)c1	ZINC000821853873	606397016	/nfs/dbraw/zinc/39/70/16/606397016.db2.gz	BZGJTPDUGVOQMB-UHFFFAOYSA-N	-1	3	362.389	2.403	20	30		FEEDHM
CCN(CCC#N)C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1	ZINC000821207885	606584702	/nfs/dbraw/zinc/58/47/02/606584702.db2.gz	XBGNHMSVQUJBCI-UHFFFAOYSA-N	-1	3	363.381	2.430	20	30		FEEDHM
CCN(CCC#N)C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1	ZINC000821207885	606584704	/nfs/dbraw/zinc/58/47/04/606584704.db2.gz	XBGNHMSVQUJBCI-UHFFFAOYSA-N	-1	3	363.381	2.430	20	30		FEEDHM
CCNc1ccc(-c2nn[n-]n2)cc1NCC(=O)Nc1cccc(C#N)c1	ZINC000821308413	606599333	/nfs/dbraw/zinc/59/93/33/606599333.db2.gz	AAJGQNHDDNNNKR-UHFFFAOYSA-N	-1	3	362.397	2.221	20	30		FEEDHM
CCc1noc(CC)c1CC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1	ZINC000821554984	606681053	/nfs/dbraw/zinc/68/10/53/606681053.db2.gz	XFPSKBANGRBABI-UHFFFAOYSA-N	-1	3	351.370	2.032	20	30		FEEDHM
CCc1noc(CC)c1CC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1	ZINC000821554984	606681054	/nfs/dbraw/zinc/68/10/54/606681054.db2.gz	XFPSKBANGRBABI-UHFFFAOYSA-N	-1	3	351.370	2.032	20	30		FEEDHM
C=CCNc1nnc(SC[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)s1	ZINC000819751609	606845456	/nfs/dbraw/zinc/84/54/56/606845456.db2.gz	XQOHAXDCLBBNAA-LLVKDONJSA-N	-1	3	361.456	2.142	20	30		FEEDHM
C=CCNc1nnc(SC[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)s1	ZINC000819751609	606845457	/nfs/dbraw/zinc/84/54/57/606845457.db2.gz	XQOHAXDCLBBNAA-LLVKDONJSA-N	-1	3	361.456	2.142	20	30		FEEDHM
N#Cc1ccsc1C(=O)OCCCOc1cccc(-c2nnn[n-]2)c1	ZINC000822842722	606948533	/nfs/dbraw/zinc/94/85/33/606948533.db2.gz	VNUBWKLANNCFAQ-UHFFFAOYSA-N	-1	3	355.379	2.426	20	30		FEEDHM
N#Cc1ccsc1C(=O)OCCCOc1cccc(-c2nn[n-]n2)c1	ZINC000822842722	606948535	/nfs/dbraw/zinc/94/85/35/606948535.db2.gz	VNUBWKLANNCFAQ-UHFFFAOYSA-N	-1	3	355.379	2.426	20	30		FEEDHM
C#CCCCCNC(=O)NCCSCc1ccccc1-c1nnn[n-]1	ZINC000819692359	606957186	/nfs/dbraw/zinc/95/71/86/606957186.db2.gz	DNCKPINVSHZRMS-UHFFFAOYSA-N	-1	3	358.471	2.203	20	30		FEEDHM
C#CCCCCNC(=O)NCCSCc1ccccc1-c1nn[n-]n1	ZINC000819692359	606957187	/nfs/dbraw/zinc/95/71/87/606957187.db2.gz	DNCKPINVSHZRMS-UHFFFAOYSA-N	-1	3	358.471	2.203	20	30		FEEDHM
C=C(Br)CNC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1	ZINC000819718274	607008873	/nfs/dbraw/zinc/00/88/73/607008873.db2.gz	DBQNIZBFHJKDEZ-UHFFFAOYSA-N	-1	3	366.219	2.049	20	30		FEEDHM
C=C(Br)CNC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1	ZINC000819718274	607008874	/nfs/dbraw/zinc/00/88/74/607008874.db2.gz	DBQNIZBFHJKDEZ-UHFFFAOYSA-N	-1	3	366.219	2.049	20	30		FEEDHM
CC(C)(C)C1N=NC(=S)N1N=Cc1c[nH]c2ccc(-c3nnn[n-]3)cc12	ZINC000819971857	607144714	/nfs/dbraw/zinc/14/47/14/607144714.db2.gz	USQLTCJZWNTXMZ-UHFFFAOYSA-N	-1	3	367.442	2.408	20	30		FEEDHM
CC(C)(C)C1N=NC(=S)N1N=Cc1c[nH]c2ccc(-c3nn[n-]n3)cc12	ZINC000819971857	607144715	/nfs/dbraw/zinc/14/47/15/607144715.db2.gz	USQLTCJZWNTXMZ-UHFFFAOYSA-N	-1	3	367.442	2.408	20	30		FEEDHM
N#Cc1cc(-c2nnn[n-]2)c(SCc2cnc(Cl)s2)nc1N	ZINC000822819152	607160266	/nfs/dbraw/zinc/16/02/66/607160266.db2.gz	MBNKTVXNPVEFHD-UHFFFAOYSA-N	-1	3	350.820	2.118	20	30		FEEDHM
N#Cc1cc(-c2nn[n-]n2)c(SCc2cnc(Cl)s2)nc1N	ZINC000822819152	607160268	/nfs/dbraw/zinc/16/02/68/607160268.db2.gz	MBNKTVXNPVEFHD-UHFFFAOYSA-N	-1	3	350.820	2.118	20	30		FEEDHM
N#Cc1cccc(S(=O)(=O)CCSc2cccc(-c3nnn[n-]3)c2)c1	ZINC000826387420	607817208	/nfs/dbraw/zinc/81/72/08/607817208.db2.gz	UPGVBHPJVVDRMR-UHFFFAOYSA-N	-1	3	371.447	2.304	20	30		FEEDHM
N#Cc1cccc(S(=O)(=O)CCSc2cccc(-c3nn[n-]n3)c2)c1	ZINC000826387420	607817209	/nfs/dbraw/zinc/81/72/09/607817209.db2.gz	UPGVBHPJVVDRMR-UHFFFAOYSA-N	-1	3	371.447	2.304	20	30		FEEDHM
Cc1nnc(-c2cccc(C#N)c2)n1CN(C)c1ccc(-c2nn[n-]n2)cc1	ZINC000826335459	607846477	/nfs/dbraw/zinc/84/64/77/607846477.db2.gz	OBGNDHUPDFRVFI-UHFFFAOYSA-N	-1	3	371.408	2.399	20	30		FEEDHM
COc1cccc(NC(=S)NN=Cc2ccccc2-c2nnn[n-]2)c1	ZINC000826217071	607882029	/nfs/dbraw/zinc/88/20/29/607882029.db2.gz	XXWGKIYFKSDHAD-UHFFFAOYSA-N	-1	3	353.411	2.196	20	30		FEEDHM
COc1cccc(NC(=S)NN=Cc2ccccc2-c2nn[n-]n2)c1	ZINC000826217071	607882030	/nfs/dbraw/zinc/88/20/30/607882030.db2.gz	XXWGKIYFKSDHAD-UHFFFAOYSA-N	-1	3	353.411	2.196	20	30		FEEDHM
C=C(C)[C@@H](CC(=O)O[C@@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1)OCC	ZINC000823872479	607920138	/nfs/dbraw/zinc/92/01/38/607920138.db2.gz	ACCXPGHOAZCCKS-SWLSCSKDSA-N	-1	3	373.413	2.108	20	30		FEEDHM
C=C(C)[C@@H](CC(=O)O[C@@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1)OCC	ZINC000823872479	607920139	/nfs/dbraw/zinc/92/01/39/607920139.db2.gz	ACCXPGHOAZCCKS-SWLSCSKDSA-N	-1	3	373.413	2.108	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2csc([C@@H]3CCCO3)n2)cc1-c1nnn[n-]1	ZINC000826385605	607927699	/nfs/dbraw/zinc/92/76/99/607927699.db2.gz	SXAGZPCGIFNUEH-ZDUSSCGKSA-N	-1	3	367.394	2.299	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2csc([C@@H]3CCCO3)n2)cc1-c1nn[n-]n1	ZINC000826385605	607927700	/nfs/dbraw/zinc/92/77/00/607927700.db2.gz	SXAGZPCGIFNUEH-ZDUSSCGKSA-N	-1	3	367.394	2.299	20	30		FEEDHM
C#CC[C@@H](NS(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C)c1ccccc1	ZINC000823837987	607937905	/nfs/dbraw/zinc/93/79/05/607937905.db2.gz	KBWHSWHXOKNOLH-MRXNPFEDSA-N	-1	3	367.434	2.218	20	30		FEEDHM
C#CC[C@@H](NS(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C)c1ccccc1	ZINC000823837987	607937906	/nfs/dbraw/zinc/93/79/06/607937906.db2.gz	KBWHSWHXOKNOLH-MRXNPFEDSA-N	-1	3	367.434	2.218	20	30		FEEDHM
CCOC(=O)[C@H]1CCC(=NNCc2ccc(-c3nnn[n-]3)cc2)C[C@@H]1C	ZINC000825499310	607964932	/nfs/dbraw/zinc/96/49/32/607964932.db2.gz	KEFFKJHWGLXKCO-LRDDRELGSA-N	-1	3	356.430	2.312	20	30		FEEDHM
CCOC(=O)[C@H]1CCC(=NNCc2ccc(-c3nn[n-]n3)cc2)C[C@@H]1C	ZINC000825499310	607964933	/nfs/dbraw/zinc/96/49/33/607964933.db2.gz	KEFFKJHWGLXKCO-LRDDRELGSA-N	-1	3	356.430	2.312	20	30		FEEDHM
COc1ccc(OC)c(C=NOCc2cc(-c3nnn[n-]3)ccc2OC)c1	ZINC000826211140	608151072	/nfs/dbraw/zinc/15/10/72/608151072.db2.gz	QQXJCHFJPHPDLE-UHFFFAOYSA-N	-1	3	369.381	2.443	20	30		FEEDHM
COc1ccc(OC)c(C=NOCc2cc(-c3nn[n-]n3)ccc2OC)c1	ZINC000826211140	608151073	/nfs/dbraw/zinc/15/10/73/608151073.db2.gz	QQXJCHFJPHPDLE-UHFFFAOYSA-N	-1	3	369.381	2.443	20	30		FEEDHM
O=C(C=NOCc1cccc(-c2nnn[n-]2)c1)Nc1ccc(F)cc1F	ZINC000826403240	608151150	/nfs/dbraw/zinc/15/11/50/608151150.db2.gz	NERCPLXHZHLXLQ-UHFFFAOYSA-N	-1	3	358.308	2.286	20	30		FEEDHM
O=C(C=NOCc1cccc(-c2nn[n-]n2)c1)Nc1ccc(F)cc1F	ZINC000826403240	608151152	/nfs/dbraw/zinc/15/11/52/608151152.db2.gz	NERCPLXHZHLXLQ-UHFFFAOYSA-N	-1	3	358.308	2.286	20	30		FEEDHM
Cc1nn(-c2ccccc2)c(CN(C[C@@H](C)C#N)C2CC2)c1-c1nnn[n-]1	ZINC000826331869	608316455	/nfs/dbraw/zinc/31/64/55/608316455.db2.gz	AXJUFSQTROSZPJ-ZDUSSCGKSA-N	-1	3	362.441	2.485	20	30		FEEDHM
C=CCNc1ncc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2OC)s1	ZINC000823925861	608363804	/nfs/dbraw/zinc/36/38/04/608363804.db2.gz	OOZCOUQQWYRDBQ-UHFFFAOYSA-N	-1	3	372.410	2.287	20	30		FEEDHM
C=CCNc1ncc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2OC)s1	ZINC000823925861	608363806	/nfs/dbraw/zinc/36/38/06/608363806.db2.gz	OOZCOUQQWYRDBQ-UHFFFAOYSA-N	-1	3	372.410	2.287	20	30		FEEDHM
C=CCOc1cccnc1C(=O)OCc1cc(-c2nnn[n-]2)ccc1F	ZINC000823931668	608457402	/nfs/dbraw/zinc/45/74/02/608457402.db2.gz	CTUSCBHHINYNCR-UHFFFAOYSA-N	-1	3	355.329	2.323	20	30		FEEDHM
C=CCOc1cccnc1C(=O)OCc1cc(-c2nn[n-]n2)ccc1F	ZINC000823931668	608457406	/nfs/dbraw/zinc/45/74/06/608457406.db2.gz	CTUSCBHHINYNCR-UHFFFAOYSA-N	-1	3	355.329	2.323	20	30		FEEDHM
C=CCOc1cccnc1C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1	ZINC000823932156	608468419	/nfs/dbraw/zinc/46/84/19/608468419.db2.gz	QMCAATNKAOFHGP-LBPRGKRZSA-N	-1	3	350.382	2.318	20	30		FEEDHM
C=CCOc1cccnc1C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1	ZINC000823932156	608468420	/nfs/dbraw/zinc/46/84/20/608468420.db2.gz	QMCAATNKAOFHGP-LBPRGKRZSA-N	-1	3	350.382	2.318	20	30		FEEDHM
C=CCOc1cccnc1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC	ZINC000823932132	608538934	/nfs/dbraw/zinc/53/89/34/608538934.db2.gz	PMCLEOIXJJKGTD-UHFFFAOYSA-N	-1	3	352.354	2.087	20	30		FEEDHM
Cn1ncc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c1-c1ccccc1	ZINC000826365774	608547090	/nfs/dbraw/zinc/54/70/90/608547090.db2.gz	CMUYZXPTYUMHAE-UHFFFAOYSA-N	-1	3	370.376	2.391	20	30		FEEDHM
Cn1ncc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c1-c1ccccc1	ZINC000826365774	608547092	/nfs/dbraw/zinc/54/70/92/608547092.db2.gz	CMUYZXPTYUMHAE-UHFFFAOYSA-N	-1	3	370.376	2.391	20	30		FEEDHM
Cn1cc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c(C(C)(C)C)n1	ZINC000826359186	608667752	/nfs/dbraw/zinc/66/77/52/608667752.db2.gz	ZGSFTOREBOMEQQ-UHFFFAOYSA-N	-1	3	350.386	2.022	20	30		FEEDHM
Cn1cc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c(C(C)(C)C)n1	ZINC000826359186	608667753	/nfs/dbraw/zinc/66/77/53/608667753.db2.gz	ZGSFTOREBOMEQQ-UHFFFAOYSA-N	-1	3	350.386	2.022	20	30		FEEDHM
C#CCCCCCC(=O)O[C@@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1	ZINC000823842019	609133249	/nfs/dbraw/zinc/13/32/49/609133249.db2.gz	XGSWMPNMKMMMKA-ZDUSSCGKSA-N	-1	3	355.398	2.321	20	30		FEEDHM
C#CCCCCCC(=O)O[C@@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1	ZINC000823842019	609133250	/nfs/dbraw/zinc/13/32/50/609133250.db2.gz	XGSWMPNMKMMMKA-ZDUSSCGKSA-N	-1	3	355.398	2.321	20	30		FEEDHM
C#CCCCCCC(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1	ZINC000823842016	609133378	/nfs/dbraw/zinc/13/33/78/609133378.db2.gz	XGANHTFRWXFIEP-ZDUSSCGKSA-N	-1	3	355.398	2.321	20	30		FEEDHM
C#CCCCCCC(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1	ZINC000823842016	609133379	/nfs/dbraw/zinc/13/33/79/609133379.db2.gz	XGANHTFRWXFIEP-ZDUSSCGKSA-N	-1	3	355.398	2.321	20	30		FEEDHM
Cc1cc(C(=O)OCC(C)(C)C#N)nn1-c1cccc(-c2nnn[n-]2)c1	ZINC000826260815	609356647	/nfs/dbraw/zinc/35/66/47/609356647.db2.gz	FSGJBCSILJYRSP-UHFFFAOYSA-N	-1	3	351.370	2.067	20	30		FEEDHM
Cc1cc(C(=O)OCC(C)(C)C#N)nn1-c1cccc(-c2nn[n-]n2)c1	ZINC000826260815	609356649	/nfs/dbraw/zinc/35/66/49/609356649.db2.gz	FSGJBCSILJYRSP-UHFFFAOYSA-N	-1	3	351.370	2.067	20	30		FEEDHM
C#Cc1cccc(N(C)S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)c1	ZINC000823861725	609527707	/nfs/dbraw/zinc/52/77/07/609527707.db2.gz	QCKUEULRZZIEEX-UHFFFAOYSA-N	-1	3	373.825	2.327	20	30		FEEDHM
C#Cc1cccc(N(C)S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)c1	ZINC000823861725	609527708	/nfs/dbraw/zinc/52/77/08/609527708.db2.gz	QCKUEULRZZIEEX-UHFFFAOYSA-N	-1	3	373.825	2.327	20	30		FEEDHM
C#CCCCCCC(=O)O[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O	ZINC000823841921	609641725	/nfs/dbraw/zinc/64/17/25/609641725.db2.gz	VKOSTKUBNDKCFF-MRXNPFEDSA-N	-1	3	367.409	2.099	20	30		FEEDHM
C#CCCCCCC(=O)O[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O	ZINC000823841921	609641726	/nfs/dbraw/zinc/64/17/26/609641726.db2.gz	VKOSTKUBNDKCFF-MRXNPFEDSA-N	-1	3	367.409	2.099	20	30		FEEDHM
CCC1CCC([N-]S(=O)(=O)Cc2ccc(C#N)cc2)(C(=O)OC)CC1	ZINC000561718439	674692843	/nfs/dbraw/zinc/69/28/43/674692843.db2.gz	GNRVFBNYKXMCMH-UHFFFAOYSA-N	-1	3	364.467	2.490	20	30		FEEDHM
COC(=O)[C@@H](CCSC)OC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C	ZINC000814023923	674811341	/nfs/dbraw/zinc/81/13/41/674811341.db2.gz	BZMXFBYIPCPJNT-CQSZACIVSA-N	-1	3	366.439	2.046	20	30		FEEDHM
Cc1ncc(CO)c(/C=N\[C@@H](C)c2ncc(Br)cn2)c1[O-]	ZINC000814183845	674825013	/nfs/dbraw/zinc/82/50/13/674825013.db2.gz	OUBWJSDAGIRHOW-DTCMHGMZSA-N	-1	3	351.204	2.321	20	30		FEEDHM
C=C(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1ccc(Cl)c2nonc21	ZINC000814393351	674840864	/nfs/dbraw/zinc/84/08/64/674840864.db2.gz	ZRWBURJCKYJFBI-OTYXRUKQSA-N	-1	3	357.819	2.136	20	30		FEEDHM
C[C@@H](Sc1ccc(Br)cc1)C(=O)N[C@H]1CCN([O-])C1=O	ZINC000816692531	675073493	/nfs/dbraw/zinc/07/34/93/675073493.db2.gz	QCCRLYOUEOVHDI-KCJUWKMLSA-N	-1	3	359.245	2.036	20	30		FEEDHM
Cc1cc(CSc2ccccc2C(=O)N[C@@H]2CCCN([O-])C2=O)on1	ZINC000816756806	675078019	/nfs/dbraw/zinc/07/80/19/675078019.db2.gz	FOJIVWNVUWWJMI-CQSZACIVSA-N	-1	3	361.423	2.385	20	30		FEEDHM
Cc1cc(C([O-])=C(C#N)c2ccccn2)cc(S(=O)(=O)N(C)C)c1C	ZINC000041493401	670147001	/nfs/dbraw/zinc/14/70/01/670147001.db2.gz	VZYUNLWEVCKZOW-OAHLLOKOSA-N	-1	3	357.435	2.439	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCCCOCC(F)(F)F	ZINC000063944634	670413531	/nfs/dbraw/zinc/41/35/31/670413531.db2.gz	OGXSTAURAMZNQN-UHFFFAOYSA-N	-1	3	360.332	2.308	20	30		FEEDHM
C[C@@H](CC(=O)NC(C)(C)C(C)(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000817219526	675112386	/nfs/dbraw/zinc/11/23/86/675112386.db2.gz	BDASLUPOYXJAHI-LBPRGKRZSA-N	-1	3	365.499	2.445	20	30		FEEDHM
CCOC(=O)[C@H]([N-]S(=O)(=O)Cc1ccc(C#N)cc1)c1ccccc1	ZINC000580118233	671784072	/nfs/dbraw/zinc/78/40/72/671784072.db2.gz	BFXGDQYMUZFVOD-QGZVFWFLSA-N	-1	3	358.419	2.282	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)NC2(C#N)CCCCC2)ccc1F	ZINC000126514888	672025291	/nfs/dbraw/zinc/02/52/91/672025291.db2.gz	ISKPQYSBMCFINI-UHFFFAOYSA-N	-1	3	365.430	2.246	20	30		FEEDHM
COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@]2(C#N)CCC[C@@H](C)C2)c1	ZINC000130503516	672076082	/nfs/dbraw/zinc/07/60/82/672076082.db2.gz	PKOBWGKGIPBUSQ-BZNIZROVSA-N	-1	3	354.403	2.363	20	30		FEEDHM
C#Cc1cccc(NC(=O)C(=O)NCc2ccc([O-])c(Br)c2)c1	ZINC000132306597	672096916	/nfs/dbraw/zinc/09/69/16/672096916.db2.gz	GUUPRARFVZSVGA-UHFFFAOYSA-N	-1	3	373.206	2.391	20	30		FEEDHM
CC(C)OCc1nc([C@H](C)[N-]S(=O)(=O)c2cccc(CC#N)c2)no1	ZINC000589308387	672521546	/nfs/dbraw/zinc/52/15/46/672521546.db2.gz	QCOQIHIEPDABBU-LBPRGKRZSA-N	-1	3	364.427	2.100	20	30		FEEDHM
O=S(=O)(C[C@@H](O)C/N=C\c1cc(Cl)ccc1[O-])c1cccs1	ZINC000255386532	672890187	/nfs/dbraw/zinc/89/01/87/672890187.db2.gz	ZIWMVMVXLQGKTK-VQZCYCSMSA-N	-1	3	359.856	2.361	20	30		FEEDHM
COC1CCN(S(=O)(=O)[N-]c2cc(C#N)ccc2OC(C)C)CC1	ZINC000594693973	673116720	/nfs/dbraw/zinc/11/67/20/673116720.db2.gz	AQMMSGFFWMHUOY-UHFFFAOYSA-N	-1	3	353.444	2.113	20	30		FEEDHM
CCOC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(C#N)c(C)c1)C(F)(F)F	ZINC000594698733	673118419	/nfs/dbraw/zinc/11/84/19/673118419.db2.gz	FOSLLANOZYPYIT-LBPRGKRZSA-N	-1	3	364.345	2.029	20	30		FEEDHM
COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]CC1(C#N)CCCCC1	ZINC000594869678	673172271	/nfs/dbraw/zinc/17/22/71/673172271.db2.gz	QDPRPOPGVCEFAG-UHFFFAOYSA-N	-1	3	354.403	2.365	20	30		FEEDHM
COC(=O)c1ccc(S(=O)(=O)[N-]CC2(C#N)CCCCC2)c(F)c1	ZINC000594884637	673175103	/nfs/dbraw/zinc/17/51/03/673175103.db2.gz	SWXJYLLDBKYBBI-UHFFFAOYSA-N	-1	3	354.403	2.365	20	30		FEEDHM
O=C(NCCN/C([O-])=C1\N=CC=CC1=O)Nc1nc2ccsc2s1	ZINC000735576709	673496942	/nfs/dbraw/zinc/49/69/42/673496942.db2.gz	HMJNFTWYYUSQOS-ZHACJKMWSA-N	-1	3	363.424	2.006	20	30		FEEDHM
C=CC[C@@H](CC)NC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1	ZINC000544000320	673682631	/nfs/dbraw/zinc/68/26/31/673682631.db2.gz	JJTIUBVQFNWQNV-SNVBAGLBSA-N	-1	3	365.908	2.334	20	30		FEEDHM
CCC(C)(C)COC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000744329922	673793432	/nfs/dbraw/zinc/79/34/32/673793432.db2.gz	KVGFTIHAMIZCAS-LBPRGKRZSA-N	-1	3	352.456	2.483	20	30		FEEDHM
CCCC[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N(C)CCC	ZINC000745974770	673859867	/nfs/dbraw/zinc/85/98/67/673859867.db2.gz	LBFMCTNSWCQQJI-CQSZACIVSA-N	-1	3	351.472	2.152	20	30		FEEDHM
CC(=N[N-]S(=O)(=O)Cc1ccccc1)c1ccc([S@@](C)=O)cc1	ZINC000746369999	673874956	/nfs/dbraw/zinc/87/49/56/673874956.db2.gz	DYEPRAQKNLWBQA-JOCHJYFZSA-N	-1	3	350.465	2.268	20	30		FEEDHM
C[N-]S(=O)(=O)c1cc(C(=O)OCC#Cc2ccccc2Cl)c(C)o1	ZINC000747081437	673905568	/nfs/dbraw/zinc/90/55/68/673905568.db2.gz	UXRZGFWFIDNSTH-UHFFFAOYSA-N	-1	3	367.810	2.358	20	30		FEEDHM
CC(C)(C)[C@@H]([N-]S(C)(=O)=O)C(=O)OCC#Cc1ccccc1Cl	ZINC000747091203	673906175	/nfs/dbraw/zinc/90/61/75/673906175.db2.gz	YJBVUSXAKNUEDP-AWEZNQCLSA-N	-1	3	357.859	2.199	20	30		FEEDHM
C[C@H](CC(=O)N[C@H]1CCN([O-])C1=O)c1ccc(F)c(Br)c1	ZINC000820137040	675338680	/nfs/dbraw/zinc/33/86/80/675338680.db2.gz	JUJVFSUQEXRYQY-PELKAZGASA-N	-1	3	359.195	2.188	20	30		FEEDHM
Cc1cc(C(C)(C)C(=O)N[C@@H]2CCN([O-])C2=O)ccc1Br	ZINC000820138050	675338729	/nfs/dbraw/zinc/33/87/29/675338729.db2.gz	WITDTOXMTJEZQQ-GFCCVEGCSA-N	-1	3	355.232	2.141	20	30		FEEDHM
CC(C)Oc1cc(Br)cc(C(=O)N[C@@H]2CCCN([O-])C2=O)c1	ZINC000820471101	675364408	/nfs/dbraw/zinc/36/44/08/675364408.db2.gz	NHPZXDOKLVCSRY-CYBMUJFWSA-N	-1	3	371.231	2.346	20	30		FEEDHM
CC(C)(C(=O)N[C@@H]1CCCN([O-])C1=O)c1cccc(Br)c1	ZINC000820476903	675364989	/nfs/dbraw/zinc/36/49/89/675364989.db2.gz	RLVNPILXPBLJHR-GFCCVEGCSA-N	-1	3	355.232	2.223	20	30		FEEDHM
C=CCCC[C@@H](C)NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1	ZINC000823894406	675576066	/nfs/dbraw/zinc/57/60/66/675576066.db2.gz	PIFZBJWUTNHMRO-SNVBAGLBSA-N	-1	3	362.821	2.320	20	30		FEEDHM
C=CCCC[C@@H](C)NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1	ZINC000823894406	675576069	/nfs/dbraw/zinc/57/60/69/675576069.db2.gz	PIFZBJWUTNHMRO-SNVBAGLBSA-N	-1	3	362.821	2.320	20	30		FEEDHM
N#C[C@@]1(F)CCN(C(=O)c2c[n-]c3ccc(Br)cc3c2=O)C1	ZINC000618244089	676327669	/nfs/dbraw/zinc/32/76/69/676327669.db2.gz	DVLYTILZQSYDAO-HNNXBMFYSA-N	-1	3	364.174	2.368	20	30		FEEDHM
C=CCCCN(C)C(=O)C[C@H](C)[N-]S(=O)(=O)c1cccnc1Cl	ZINC000760615764	680695079	/nfs/dbraw/zinc/69/50/79/680695079.db2.gz	MFOBSDXXEXELPI-LBPRGKRZSA-N	-1	3	359.879	2.217	20	30		FEEDHM
C[C@H](CC(=O)N1CC(C)(C)C[C@H]1C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000839876803	680785498	/nfs/dbraw/zinc/78/54/98/680785498.db2.gz	GOARYAJEDFTWJU-CHWSQXEVSA-N	-1	3	363.483	2.151	20	30		FEEDHM
COCCOC(=O)c1sc2[n-]c(CSCCC#N)nc(=O)c2c1C	ZINC000840213312	680807756	/nfs/dbraw/zinc/80/77/56/680807756.db2.gz	PAQQOKLADFKKRC-UHFFFAOYSA-N	-1	3	367.452	2.243	20	30		FEEDHM
O=C1[C@@H](/N=C\c2cc(Br)ccc2[O-])CCN1C1CCOCC1	ZINC000747863480	679908809	/nfs/dbraw/zinc/90/88/09/679908809.db2.gz	DSGKQUQDGRYSKM-KPYNCUPYSA-N	-1	3	367.243	2.354	20	30		FEEDHM
C=C[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1	ZINC000832245174	680115123	/nfs/dbraw/zinc/11/51/23/680115123.db2.gz	LMBRGKXZKBEYMP-ZJUUUORDSA-N	-1	3	367.652	2.119	20	30		FEEDHM
C#CCOc1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)cc1	ZINC000751143901	680155866	/nfs/dbraw/zinc/15/58/66/680155866.db2.gz	WNEWWYCHQBOMLC-UHFFFAOYSA-N	-1	3	354.387	2.341	20	30		FEEDHM
C=CCO[N-]C(=O)[C@@H](C)CS(=O)(=O)c1ccc(Br)cc1	ZINC000837048121	680546437	/nfs/dbraw/zinc/54/64/37/680546437.db2.gz	MVQJFVCTUIDHMB-JTQLQIEISA-N	-1	3	362.245	2.093	20	30		FEEDHM
N#CC1(NC(=O)COC(=O)c2cc(Br)c(F)cc2[O-])CCC1	ZINC000837780215	680647886	/nfs/dbraw/zinc/64/78/86/680647886.db2.gz	LBSQKCLRXGKXSG-UHFFFAOYSA-N	-1	3	371.162	2.013	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2C[C@@]2(C)C(C)C)ccc1F	ZINC000838034449	680669753	/nfs/dbraw/zinc/66/97/53/680669753.db2.gz	DRPGNUBVYGHWBQ-WBVHZDCISA-N	-1	3	354.447	2.454	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(F)n2)ccc1F	ZINC000767167575	680901396	/nfs/dbraw/zinc/90/13/96/680901396.db2.gz	FXOZLZUXECYQDL-UHFFFAOYSA-N	-1	3	353.350	2.076	20	30		FEEDHM
CC#CCCCCOC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000768125564	680938454	/nfs/dbraw/zinc/93/84/54/680938454.db2.gz	OTPPZWSAXYHXHH-AWEZNQCLSA-N	-1	3	362.451	2.241	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)CCOC(C)(C)C)ccc1F	ZINC000769322087	680978085	/nfs/dbraw/zinc/97/80/85/680978085.db2.gz	JEGCWSQZERUSSK-UHFFFAOYSA-N	-1	3	372.462	2.177	20	30		FEEDHM
C#C[C@H]([N-]S(=O)(=O)c1cc(C)c(Br)s1)[C@H]1CCCO1	ZINC000773057080	681123211	/nfs/dbraw/zinc/12/32/11/681123211.db2.gz	NZKOCZHECSTIAJ-VHSXEESVSA-N	-1	3	364.286	2.278	20	30		FEEDHM
C#CCSCC[N-]S(=O)(=O)c1sc(Br)cc1C	ZINC000845878181	681158496	/nfs/dbraw/zinc/15/84/96/681158496.db2.gz	ROFXMQCYJKCQPG-UHFFFAOYSA-N	-1	3	354.316	2.464	20	30		FEEDHM
C[C@@]1(CC[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C[C@]1(F)Cl	ZINC000845984287	681169894	/nfs/dbraw/zinc/16/98/94/681169894.db2.gz	WJWRMYJAOSBDNN-CHWSQXEVSA-N	-1	3	361.782	2.449	20	30		FEEDHM
C=C(C)CO[N-]C(=O)CC[C@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O	ZINC000846539200	681256167	/nfs/dbraw/zinc/25/61/67/681256167.db2.gz	RESSHVOBAJFFNC-CYBMUJFWSA-N	-1	3	351.790	2.169	20	30		FEEDHM
C=C[C@H](C)O[N-]C(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1	ZINC000846542139	681257229	/nfs/dbraw/zinc/25/72/29/681257229.db2.gz	VMICRAATMGLAED-HNNXBMFYSA-N	-1	3	366.483	2.416	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)NC(C)(C)C(C)(F)F)ccc1F	ZINC000847118457	681334727	/nfs/dbraw/zinc/33/47/27/681334727.db2.gz	JYZQALGGQGTJOE-UHFFFAOYSA-N	-1	3	364.389	2.454	20	30		FEEDHM
O=C(NCc1nc(C(F)(F)F)n[n-]1)NCc1c(F)c(F)cc(F)c1F	ZINC000776161216	681368812	/nfs/dbraw/zinc/36/88/12/681368812.db2.gz	WCFJGCRAFNPHKK-UHFFFAOYSA-N	-1	3	371.216	2.379	20	30		FEEDHM
C[C@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)N1CCc2sccc2C1	ZINC000776279936	681378892	/nfs/dbraw/zinc/37/88/92/681378892.db2.gz	NPESNRVLEOHVFW-NSHDSACASA-N	-1	3	356.403	2.456	20	30		FEEDHM
CC(C)(C#N)CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1	ZINC000776372254	681387196	/nfs/dbraw/zinc/38/71/96/681387196.db2.gz	GDMGESOXKXIJOV-UHFFFAOYSA-N	-1	3	354.403	2.363	20	30		FEEDHM
CCCOc1ccc(C(=O)N[C@@H]2CCCN([O-])C2=O)c(OCCC)c1	ZINC000848133686	681478024	/nfs/dbraw/zinc/47/80/24/681478024.db2.gz	FFQJKATXPOPOOZ-OAHLLOKOSA-N	-1	3	350.415	2.374	20	30		FEEDHM
CCOC(=O)c1cnc([N-]N=Cc2c(OC)nc3sccn23)nc1C	ZINC000777888172	681540423	/nfs/dbraw/zinc/54/04/23/681540423.db2.gz	MDGVHTJALMPYSC-UHFFFAOYSA-N	-1	3	360.399	2.126	20	30		FEEDHM
C=CCOCCC[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1	ZINC000849458393	681744857	/nfs/dbraw/zinc/74/48/57/681744857.db2.gz	FAFHVSYIHHSXFP-UHFFFAOYSA-N	-1	3	369.668	2.369	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)OC[C@H]2CCO[C@H](C)C2)ccc1F	ZINC000782697851	682074384	/nfs/dbraw/zinc/07/43/84/682074384.db2.gz	UHAOWTSDFXKIET-OLZOCXBDSA-N	-1	3	371.430	2.262	20	30		FEEDHM
Cc1ccc([O-])c(C=Nn2c(C)c(Br)c(C)c(C#N)c2=O)n1	ZINC000788453350	682530975	/nfs/dbraw/zinc/53/09/75/682530975.db2.gz	DGDDYCBEHXICIN-UHFFFAOYSA-N	-1	3	361.199	2.391	20	30		FEEDHM
COC(=O)c1sc(S(=O)(=O)[N-][C@H](C#N)C(C)C)c(C)c1Cl	ZINC000788552355	682538687	/nfs/dbraw/zinc/53/86/87/682538687.db2.gz	ILJQLMGFYOILGF-MRVPVSSYSA-N	-1	3	350.849	2.323	20	30		FEEDHM
CN(C)S(=O)(=O)C[C@@H](/N=C/c1cc(Cl)ccc1[O-])C(F)(F)F	ZINC000794677792	682989284	/nfs/dbraw/zinc/98/92/84/682989284.db2.gz	YNPOUAIURRUPMC-LDFGVUFUSA-N	-1	3	358.769	2.287	20	30		FEEDHM
C[C@H](OC(=O)c1cc([O-])cc(Br)c1)C(=O)NC1(C#N)CCC1	ZINC000860202563	683215139	/nfs/dbraw/zinc/21/51/39/683215139.db2.gz	VONQZXGYSQYPHN-VIFPVBQESA-N	-1	3	367.199	2.262	20	30		FEEDHM
N#CCc1ccsc1C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1	ZINC000866596599	684124849	/nfs/dbraw/zinc/12/48/49/684124849.db2.gz	NDXMFTUJOSUMMP-UHFFFAOYSA-N	-1	3	355.419	2.118	20	30		FEEDHM
CCn1cncc1S(=O)(=O)[N-][C@@H](c1cccc(C#N)c1)C(F)(F)F	ZINC000867899303	684422595	/nfs/dbraw/zinc/42/25/95/684422595.db2.gz	XHGPXRMULWXMRL-ZDUSSCGKSA-N	-1	3	358.345	2.357	20	30		FEEDHM
C#C[C@H](C)NC(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21	ZINC000868514685	684504392	/nfs/dbraw/zinc/50/43/92/684504392.db2.gz	QQNKBFTWYZRJKL-RYUDHWBXSA-N	-1	3	353.344	2.390	20	30		FEEDHM
C[C@H](CC(=O)O[C@H](C)[C@H]1CC12CC2)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000873627244	685176993	/nfs/dbraw/zinc/17/69/93/685176993.db2.gz	VFFMRINWHBPMOM-YRGRVCCFSA-N	-1	3	362.451	2.236	20	30		FEEDHM
O=C(Nc1cc(F)c(N2CCCC2)c(F)c1)N[C@@H]1CCCN([O-])C1=O	ZINC000878347419	686569348	/nfs/dbraw/zinc/56/93/48/686569348.db2.gz	JUMSASPFAKMNGZ-CYBMUJFWSA-N	-1	3	354.357	2.067	20	30		FEEDHM
CC(C)(C)c1cc(NC(=O)N[C@@H]2CCCN([O-])C2=O)n(C(C)(C)C)n1	ZINC000878592932	686614939	/nfs/dbraw/zinc/61/49/39/686614939.db2.gz	VXXLXBAOXHGPSZ-LLVKDONJSA-N	-1	3	351.451	2.437	20	30		FEEDHM
O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)N[C@@H]1CCCN([O-])C1=O	ZINC000878857892	686675908	/nfs/dbraw/zinc/67/59/08/686675908.db2.gz	NKAWYHMVLCXVJB-CQSZACIVSA-N	-1	3	363.805	2.087	20	30		FEEDHM
Cc1cc(NC(=O)N[C@H]2CCCN([O-])C2=O)nn1-c1cccc(Cl)c1	ZINC000879128538	686747630	/nfs/dbraw/zinc/74/76/30/686747630.db2.gz	OEDMATAKAMECEA-ZDUSSCGKSA-N	-1	3	363.805	2.336	20	30		FEEDHM
Cc1cc(NC(=O)N[C@H]2CCCN([O-])C2=O)c(F)cc1Br	ZINC000879585501	686864201	/nfs/dbraw/zinc/86/42/01/686864201.db2.gz	GRMLUSIRUPDFQI-JTQLQIEISA-N	-1	3	360.183	2.398	20	30		FEEDHM
C=C(C)C[C@H]([N-]S(=O)(=O)Cc1ccc(CC#N)cc1)C(=O)OCC	ZINC000882645228	687425877	/nfs/dbraw/zinc/42/58/77/687425877.db2.gz	MMZKUNIHNNRFRF-INIZCTEOSA-N	-1	3	350.440	2.070	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(-c2nc(C3(COC)CC3)no2)ccc1F	ZINC000897038125	689966026	/nfs/dbraw/zinc/96/60/26/689966026.db2.gz	MARNEZCIVMNPAK-UHFFFAOYSA-N	-1	3	367.402	2.018	20	30		FEEDHM
CCCS(=O)(=O)N1CCCC[C@H]1C(=O)N([O-])Cc1ccc(F)cc1	ZINC000901375038	690641564	/nfs/dbraw/zinc/64/15/64/690641564.db2.gz	BTSIORDJCHHPPI-HNNXBMFYSA-N	-1	3	358.435	2.138	20	30		FEEDHM
C=CCNS(=O)(=O)c1cccc(C(=O)N([O-])Cc2ccc(F)cc2)c1	ZINC000901375609	690641607	/nfs/dbraw/zinc/64/16/07/690641607.db2.gz	HWBCJBJNMSUIMM-UHFFFAOYSA-N	-1	3	364.398	2.322	20	30		FEEDHM
CN(C)S(=O)(=O)c1ccc(C(=O)N([O-])Cc2ccc(F)cc2)cc1	ZINC000901379234	690641697	/nfs/dbraw/zinc/64/16/97/690641697.db2.gz	SQLIUAYCVDVLPX-UHFFFAOYSA-N	-1	3	352.387	2.108	20	30		FEEDHM
Cn1ccnc1[C@@](O)(CC(=O)N([O-])Cc1ccc(F)cc1)C(F)(F)F	ZINC000904174522	691009736	/nfs/dbraw/zinc/00/97/36/691009736.db2.gz	DGKWJUNFZVMJQN-AWEZNQCLSA-N	-1	3	361.295	2.117	20	30		FEEDHM
C=C(Cl)C[C@@H](NC(=O)N[C@H]1CCN(Cc2ccccc2)C1)C(=O)[O-]	ZINC000908756679	691724524	/nfs/dbraw/zinc/72/45/24/691724524.db2.gz	LBLYPPQLDGHNNK-LSDHHAIUSA-N	-1	3	351.834	2.156	20	30		FEEDHM
C=C(C)C[C@H](NC(=O)NCC1(N2CCSCC2)CCCC1)C(=O)[O-]	ZINC000908851451	691740745	/nfs/dbraw/zinc/74/07/45/691740745.db2.gz	LYWJCXLNRBDWEM-AWEZNQCLSA-N	-1	3	355.504	2.067	20	30		FEEDHM
C=C(Cl)C[C@@H](NC(=O)NC[C@H](c1ccc(C)cc1)N(C)C)C(=O)[O-]	ZINC000908859837	691742256	/nfs/dbraw/zinc/74/22/56/691742256.db2.gz	RZUKEBOYYBERNX-HUUCEWRRSA-N	-1	3	353.850	2.493	20	30		FEEDHM
CN(C)C[C@@H]([N-]S(=O)(=O)c1cccnc1C#N)c1ccc(Cl)cc1	ZINC000549247593	674028297	/nfs/dbraw/zinc/02/82/97/674028297.db2.gz	VOPBLQDYRMGHJS-OAHLLOKOSA-N	-1	3	364.858	2.188	20	30		FEEDHM
C=CCn1c(=O)c2ccc(C(=O)NC3CCN(CC)CC3)cc2[n-]c1=S	ZINC000029607072	539858726	/nfs/dbraw/zinc/85/87/26/539858726.db2.gz	VHXWYCZAHXVRDT-UHFFFAOYSA-N	-1	3	372.494	2.085	20	30		FEEDHM
C[C@@H](NC(=O)CCn1[n-]c(=O)c2ccccc2c1=O)c1ccc(C#N)cc1	ZINC000033179590	539970287	/nfs/dbraw/zinc/97/02/87/539970287.db2.gz	AXYIDBKIXWMVGN-CYBMUJFWSA-N	-1	3	362.389	2.241	20	30		FEEDHM
O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1nnc(C(F)(F)F)[n-]1	ZINC000043996943	540117137	/nfs/dbraw/zinc/11/71/37/540117137.db2.gz	GKKXJBWBFZURRM-UHFFFAOYSA-N	-1	3	372.263	2.140	20	30		FEEDHM
O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1nc(C(F)(F)F)n[n-]1	ZINC000043996943	540117140	/nfs/dbraw/zinc/11/71/40/540117140.db2.gz	GKKXJBWBFZURRM-UHFFFAOYSA-N	-1	3	372.263	2.140	20	30		FEEDHM
COc1ccc(C(=O)N2CCCN(c3ncccc3C#N)CC2)c([O-])c1	ZINC000055740514	540673723	/nfs/dbraw/zinc/67/37/23/540673723.db2.gz	LHBXMICHPHJCJL-UHFFFAOYSA-N	-1	3	352.394	2.020	20	30		FEEDHM
CN1CCC([N-]C(=S)C(C(=O)c2ccccc2)[n+]2cccc([O-])c2)CC1	ZINC000063441378	541168471	/nfs/dbraw/zinc/16/84/71/541168471.db2.gz	GCQWUIPJIPIWEM-UHFFFAOYSA-O	-1	3	370.498	2.302	20	30		FEEDHM
COc1ccc(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)c([O-])c1	ZINC000066527202	541331747	/nfs/dbraw/zinc/33/17/47/541331747.db2.gz	DSKMWNRVDNILKM-UHFFFAOYSA-N	-1	3	352.394	2.066	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nnc(C(F)F)s1	ZINC000067551570	541479543	/nfs/dbraw/zinc/47/95/43/541479543.db2.gz	CSUGDZMKFCUQGL-UHFFFAOYSA-N	-1	3	353.354	2.224	20	30		FEEDHM
CCOC(=O)c1cc(NC(=O)CCCC(=O)Nc2ccccc2C#N)[n-]n1	ZINC000542833727	541482836	/nfs/dbraw/zinc/48/28/36/541482836.db2.gz	IQCJGLCPIDRGIP-UHFFFAOYSA-N	-1	3	369.381	2.206	20	30		FEEDHM
CCOC(=O)[C@]1([N-]S(=O)(=O)CCCCC#N)CCc2ccccc21	ZINC000072994347	541906686	/nfs/dbraw/zinc/90/66/86/541906686.db2.gz	SPWRWPMHJWCDMG-KRWDZBQOSA-N	-1	3	350.440	2.004	20	30		FEEDHM
COc1ccc(CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1F	ZINC000075565073	542189002	/nfs/dbraw/zinc/18/90/02/542189002.db2.gz	GYACTFUADIYSRK-UHFFFAOYSA-N	-1	3	357.385	2.260	20	30		FEEDHM
N#Cc1c(F)cccc1NCC[N-]S(=O)(=O)c1ccc(F)cc1F	ZINC000076351379	542267211	/nfs/dbraw/zinc/26/72/11/542267211.db2.gz	UDKRTWCONPVJOF-UHFFFAOYSA-N	-1	3	355.341	2.366	20	30		FEEDHM
C=CCN(CCc1ccccc1)C(=O)c1cc(S(=O)(=O)[N-]C)oc1C	ZINC000081726621	542673422	/nfs/dbraw/zinc/67/34/22/542673422.db2.gz	BVQIHQLTGVFJSI-UHFFFAOYSA-N	-1	3	362.451	2.367	20	30		FEEDHM
C=CCN(Cc1cc([O-])ccc1Br)[C@@H]1CCS(=O)(=O)C1	ZINC000092361523	542859666	/nfs/dbraw/zinc/85/96/66/542859666.db2.gz	ZYYHPVFSYVGXRG-GFCCVEGCSA-N	-1	3	360.273	2.330	20	30		FEEDHM
C=CC1CCN(C(=O)CC[N-]S(=O)(=O)c2ccc(F)c(F)c2)CC1	ZINC000110968987	543376545	/nfs/dbraw/zinc/37/65/45/543376545.db2.gz	KHRIWEYDMWYWSB-UHFFFAOYSA-N	-1	3	358.410	2.058	20	30		FEEDHM
CCCS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccn(CCC#N)n2)cc1	ZINC000117854375	543641293	/nfs/dbraw/zinc/64/12/93/543641293.db2.gz	FJUSQPNGFIJYLN-UHFFFAOYSA-N	-1	3	361.427	2.201	20	30		FEEDHM
Cc1nc([C@H]([N-]S(=O)(=O)CCCC#N)c2ccc(Cl)c(F)c2)no1	ZINC000132772221	544243214	/nfs/dbraw/zinc/24/32/14/544243214.db2.gz	CFQIZWCOUIGAND-CYBMUJFWSA-N	-1	3	372.809	2.483	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]Cc2ccccc2-n2ccnc2)c(F)c1	ZINC000151099153	544504870	/nfs/dbraw/zinc/50/48/70/544504870.db2.gz	JDJNMXDTYSWROB-UHFFFAOYSA-N	-1	3	356.382	2.362	20	30		FEEDHM
CC[C@@H](C#N)[N-]S(=O)(=O)c1cc(OC)c(Br)cc1OC	ZINC000153534623	544787765	/nfs/dbraw/zinc/78/77/65/544787765.db2.gz	LHRIXPAKCVVSPU-QMMMGPOBSA-N	-1	3	363.233	2.047	20	30		FEEDHM
N#Cc1ccccc1NC(=O)CCCC(=O)Nc1nnc(C(F)(F)F)[n-]1	ZINC000154695496	544937916	/nfs/dbraw/zinc/93/79/16/544937916.db2.gz	UTIFUXOEMQPCQO-UHFFFAOYSA-N	-1	3	366.303	2.443	20	30		FEEDHM
N#Cc1ccccc1NC(=O)CCCC(=O)Nc1nc(C(F)(F)F)n[n-]1	ZINC000154695496	544937919	/nfs/dbraw/zinc/93/79/19/544937919.db2.gz	UTIFUXOEMQPCQO-UHFFFAOYSA-N	-1	3	366.303	2.443	20	30		FEEDHM
CC(C)(C)OCc1cc(C[N-]S(=O)(=O)Cc2cccc(C#N)c2)no1	ZINC000186209605	327951728	/nfs/dbraw/zinc/95/17/28/327951728.db2.gz	ISINPSQFZNVGFS-UHFFFAOYSA-N	-1	3	363.439	2.481	20	30		FEEDHM
Cn1ccnc1[C@H]([N-]S(=O)(=O)c1ccccc1C#N)c1cccc(F)c1	ZINC000017521967	324389221	/nfs/dbraw/zinc/38/92/21/324389221.db2.gz	VYGFTDWVIRIKER-QGZVFWFLSA-N	-1	3	370.409	2.499	20	30		FEEDHM
N#Cc1cc(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2F)ccc1Cl	ZINC000084650697	325241716	/nfs/dbraw/zinc/24/17/16/325241716.db2.gz	IVADTHURQLYXOJ-UHFFFAOYSA-N	-1	3	353.762	2.250	20	30		FEEDHM
CC[C@H](CCO)C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000121481969	326341813	/nfs/dbraw/zinc/34/18/13/326341813.db2.gz	LSAFUIGIGXOPSB-SNVBAGLBSA-N	-1	3	350.362	2.264	20	30		FEEDHM
N#Cc1cc(F)ccc1S(=O)(=O)[N-]CCc1nnc(-c2ccccc2)o1	ZINC000126339927	326487268	/nfs/dbraw/zinc/48/72/68/326487268.db2.gz	AJYAXRMOUMCEBX-UHFFFAOYSA-N	-1	3	372.381	2.268	20	30		FEEDHM
C[C@H](CC(=O)c1ccccc1)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000151898252	326694041	/nfs/dbraw/zinc/69/40/41/326694041.db2.gz	CWQLSKBTFTYGMN-GFCCVEGCSA-N	-1	3	373.390	2.406	20	30		FEEDHM
N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@H]1CCCN(c2ccccc2)C1=O	ZINC000157583802	326869431	/nfs/dbraw/zinc/86/94/31/326869431.db2.gz	VTEWXOJZZLMLJT-INIZCTEOSA-N	-1	3	373.409	2.171	20	30		FEEDHM
Cc1cc([C@@](C)(O)CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c(C)o1	ZINC000174642583	327340992	/nfs/dbraw/zinc/34/09/92/327340992.db2.gz	WCJOMMPRKHFTSQ-FQEVSTJZSA-N	-1	3	371.437	2.030	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)c1nc(C(C)(C)C)no1	ZINC000174669477	327342627	/nfs/dbraw/zinc/34/26/27/327342627.db2.gz	MBZXHMRJEMZECL-GFCCVEGCSA-N	-1	3	371.441	2.354	20	30		FEEDHM
COC(=O)c1ccc(CC[N-]S(=O)(=O)c2ccc(F)cc2C#N)cc1	ZINC000178504088	327589316	/nfs/dbraw/zinc/58/93/16/327589316.db2.gz	AKYUPKIREGKPJF-UHFFFAOYSA-N	-1	3	362.382	2.005	20	30		FEEDHM
Cc1c(C#N)cccc1NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F	ZINC000178626544	327596490	/nfs/dbraw/zinc/59/64/90/327596490.db2.gz	KVDGYXUFFRKVAX-LBPRGKRZSA-N	-1	3	361.398	2.311	20	30		FEEDHM
Cc1nn(C)c(C)c1C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000266266654	329206371	/nfs/dbraw/zinc/20/63/71/329206371.db2.gz	FSRWWXIOXWEESF-UHFFFAOYSA-N	-1	3	372.372	2.406	20	30		FEEDHM
Cc1nc(C(C)(C)[N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)no1	ZINC000267572531	329339368	/nfs/dbraw/zinc/33/93/68/329339368.db2.gz	JAVARUYRMGEFCP-UHFFFAOYSA-N	-1	3	374.344	2.482	20	30		FEEDHM
CC(C)(C)OC(=O)NCC[N-]S(=O)(=O)c1cc(C#N)ccc1Cl	ZINC000274619212	329965101	/nfs/dbraw/zinc/96/51/01/329965101.db2.gz	KIEDXSAQDXMOGM-UHFFFAOYSA-N	-1	3	359.835	2.015	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)NCCC2(F)CCC2)ccc1F	ZINC000805252430	674327852	/nfs/dbraw/zinc/32/78/52/674327852.db2.gz	GIYHDDGBFLASPA-UHFFFAOYSA-N	-1	3	358.410	2.302	20	30		FEEDHM
C=CC[C@H](CO)[N-]S(=O)(=O)c1ccc(Cl)cc1Br	ZINC000282806192	551272410	/nfs/dbraw/zinc/27/24/10/551272410.db2.gz	ZPLOQILKGARAGV-SECBINFHSA-N	-1	3	354.653	2.318	20	30		FEEDHM
N#CC1(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)CC1	ZINC000160804229	546074468	/nfs/dbraw/zinc/07/44/68/546074468.db2.gz	UACDRGUCWHLUBM-UHFFFAOYSA-N	-1	3	359.382	2.412	20	30		FEEDHM
C=C(C)CNC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl	ZINC000161138899	546103966	/nfs/dbraw/zinc/10/39/66/546103966.db2.gz	RWQNPPAWABGRAQ-UHFFFAOYSA-N	-1	3	351.255	2.354	20	30		FEEDHM
C=CCn1c(=O)[nH]nc1SCc1nc2c3ccccc3oc2c(=O)[n-]1	ZINC000163437917	546145237	/nfs/dbraw/zinc/14/52/37/546145237.db2.gz	YOCLQUSHCHQNKV-UHFFFAOYSA-N	-1	3	355.379	2.032	20	30		FEEDHM
N#Cc1ccc(CS(=O)(=O)[N-][C@H](c2nc[nH]n2)c2ccccc2)c(F)c1	ZINC000480697080	561214703	/nfs/dbraw/zinc/21/47/03/561214703.db2.gz	KLXNIHFSSTXRMP-INIZCTEOSA-N	-1	3	371.397	2.024	20	30		FEEDHM
C[C@@](O)(C[N-]S(=O)(=O)Cc1cc(C#N)ccc1F)C1CCCCC1	ZINC000480849658	561218230	/nfs/dbraw/zinc/21/82/30/561218230.db2.gz	ZVRRJGWTCVIAEO-QGZVFWFLSA-N	-1	3	354.447	2.448	20	30		FEEDHM
N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]Cc1nncn1-c1ccccc1	ZINC000178510007	546805309	/nfs/dbraw/zinc/80/53/09/546805309.db2.gz	UHRZYZIAOYVUEU-UHFFFAOYSA-N	-1	3	373.825	2.271	20	30		FEEDHM
C=C(C)CN(C)C(=O)[C@H](CCSC)[N-]S(=O)(=O)c1ccccc1F	ZINC000183042708	547591691	/nfs/dbraw/zinc/59/16/91/547591691.db2.gz	JQCAEZYXTJRCNS-AWEZNQCLSA-N	-1	3	374.503	2.260	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]Cc2cccc3c2OCO3)c(Cl)c1	ZINC000183527894	547675372	/nfs/dbraw/zinc/67/53/72/547675372.db2.gz	KZDAOCPSMQSPCH-UHFFFAOYSA-N	-1	3	350.783	2.419	20	30		FEEDHM
COC(=O)[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl)CC(C)C	ZINC000183736989	547710294	/nfs/dbraw/zinc/71/02/94/547710294.db2.gz	DNGZXDBCLQWEOU-GFCCVEGCSA-N	-1	3	358.847	2.325	20	30		FEEDHM
CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C#N)nc2)c(Cl)c1	ZINC000485147053	561313730	/nfs/dbraw/zinc/31/37/30/561313730.db2.gz	RONGAAKKXYWEQN-UHFFFAOYSA-N	-1	3	350.787	2.366	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)c1nnc2ccccn21	ZINC000186165381	548093513	/nfs/dbraw/zinc/09/35/13/548093513.db2.gz	GWFVOZJPSALYDX-SNVBAGLBSA-N	-1	3	361.814	2.294	20	30		FEEDHM
C=C(C)CS(=O)(=O)[N-][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O	ZINC000189666225	548307449	/nfs/dbraw/zinc/30/74/49/548307449.db2.gz	MOLXJZCXBIQDQH-CQSZACIVSA-N	-1	3	374.409	2.279	20	30		FEEDHM
C=C(C)CS(=O)(=O)[N-][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O	ZINC000189666242	548307586	/nfs/dbraw/zinc/30/75/86/548307586.db2.gz	MOLXJZCXBIQDQH-AWEZNQCLSA-N	-1	3	374.409	2.279	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-][C@@H]2[C@H]3CCO[C@H]3C23CCC3)c(Cl)c1	ZINC000248573248	549460749	/nfs/dbraw/zinc/46/07/49/549460749.db2.gz	OSHOIKGCAFTZRS-KCPJHIHWSA-N	-1	3	352.843	2.448	20	30		FEEDHM
C=CCCCS(=O)(=O)[N-][C@H](C(=O)OC)c1ccc(OC(F)F)cc1	ZINC000489677182	561416737	/nfs/dbraw/zinc/41/67/37/561416737.db2.gz	HPQLEWYQYMJEFW-ZDUSSCGKSA-N	-1	3	363.382	2.388	20	30		FEEDHM
N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@H]1CCN(c2ccccc2F)C1	ZINC000490463519	561433678	/nfs/dbraw/zinc/43/36/78/561433678.db2.gz	FYTGCWFUJWTUMM-AWEZNQCLSA-N	-1	3	363.389	2.394	20	30		FEEDHM
COc1ccc(CN2CC[C@H](/N=C/c3ccc(O)c([O-])c3O)C2=O)cc1	ZINC000265167886	550007298	/nfs/dbraw/zinc/00/72/98/550007298.db2.gz	MXGPSPZXZOSRJU-VYXQJKENSA-N	-1	3	356.378	2.032	20	30		FEEDHM
C=C(Cl)CNC(=O)[C@@H](C)[N-]S(=O)(=O)c1ccccc1C(F)(F)F	ZINC000265544562	550011238	/nfs/dbraw/zinc/01/12/38/550011238.db2.gz	PLZAIIAUFWOBMN-SECBINFHSA-N	-1	3	370.780	2.241	20	30		FEEDHM
Cc1ncc(CO)c(/C=N/[C@@H](C)CN2CCN(c3ccccc3)CC2)c1[O-]	ZINC000266011444	550016170	/nfs/dbraw/zinc/01/61/70/550016170.db2.gz	RFBWHYXKHGEFMS-QPNANDPSSA-N	-1	3	368.481	2.218	20	30		FEEDHM
Cn1ncc2c1CCC[C@H]2[N-]S(=O)(=O)c1cc(C#N)ccc1Cl	ZINC000274606987	550545776	/nfs/dbraw/zinc/54/57/76/550545776.db2.gz	GMPMKSRGFKWLQE-CYBMUJFWSA-N	-1	3	350.831	2.301	20	30		FEEDHM
COC(=O)[C@@H]1C[C@H](C)CCN1C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C	ZINC000274817616	550557082	/nfs/dbraw/zinc/55/70/82/550557082.db2.gz	RODZFJZCUJVKQY-BZNIZROVSA-N	-1	3	359.426	2.008	20	30		FEEDHM
CN(C)C(=O)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)C1	ZINC000274849848	550559390	/nfs/dbraw/zinc/55/93/90/550559390.db2.gz	HKFXQCYBBFHBCP-CHWSQXEVSA-N	-1	3	369.874	2.137	20	30		FEEDHM
CC[C@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2ccc(F)c(C#N)c2)n[nH]1	ZINC000276813476	550599012	/nfs/dbraw/zinc/59/90/12/550599012.db2.gz	HPENIGOVPNSEJL-UWVGGRQHSA-N	-1	3	351.407	2.368	20	30		FEEDHM
COc1cc(C)c([C@@H](C)[N-]S(=O)(=O)c2cccnc2C#N)cc1OC	ZINC000276960944	550615948	/nfs/dbraw/zinc/61/59/48/550615948.db2.gz	DHXJHOHMOJIEBN-GFCCVEGCSA-N	-1	3	361.423	2.318	20	30		FEEDHM
CC(C)(C)c1nc(CC[N-]S(=O)(=O)c2cccnc2C#N)cs1	ZINC000276989853	550618988	/nfs/dbraw/zinc/61/89/88/550618988.db2.gz	GOGMHWRRALOHSV-UHFFFAOYSA-N	-1	3	350.469	2.228	20	30		FEEDHM
COc1cc([C@H](C)[N-]S(=O)(=O)c2ccc(C#N)o2)cc(OC)c1OC	ZINC000286521284	551895672	/nfs/dbraw/zinc/89/56/72/551895672.db2.gz	FTWJHEHJZWMHHJ-JTQLQIEISA-N	-1	3	366.395	2.217	20	30		FEEDHM
Cc1nn2cc(S(=O)(=O)[N-]Cc3cccc(C#N)c3)cnc2c1Cl	ZINC000499149984	561544750	/nfs/dbraw/zinc/54/47/50/561544750.db2.gz	KIYQCDQPZYEECC-UHFFFAOYSA-N	-1	3	361.814	2.041	20	30		FEEDHM
C[C@@H]1COCC[C@@H]1C[N-]S(=O)(=O)c1cccc(Br)c1C#N	ZINC000286861456	551934260	/nfs/dbraw/zinc/93/42/60/551934260.db2.gz	XYINVWCXMJUNGQ-GHMZBOCLSA-N	-1	3	373.272	2.272	20	30		FEEDHM
C[C@H]1COCC[C@@H]1C[N-]S(=O)(=O)c1cccc(Br)c1C#N	ZINC000286861464	551934301	/nfs/dbraw/zinc/93/43/01/551934301.db2.gz	XYINVWCXMJUNGQ-WDEREUQCSA-N	-1	3	373.272	2.272	20	30		FEEDHM
C=CCOc1cccc(NC(=O)N2CCC[C@H]2C[C@@]2(C)NC(=O)[N-]C2=O)c1	ZINC000287073283	551960158	/nfs/dbraw/zinc/96/01/58/551960158.db2.gz	QDQDJJSZZFGWAR-IFXJQAMLSA-N	-1	3	372.425	2.236	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1noc2c1CCCC2	ZINC000288034181	552078195	/nfs/dbraw/zinc/07/81/95/552078195.db2.gz	CRLQRRQLHHSLOY-UHFFFAOYSA-N	-1	3	354.410	2.392	20	30		FEEDHM
C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)o1	ZINC000288191056	552107559	/nfs/dbraw/zinc/10/75/59/552107559.db2.gz	PRFFMWYTULJOCR-PBHICJAKSA-N	-1	3	359.451	2.340	20	30		FEEDHM
CS(=O)(=O)[N-]c1ccc(C(=O)N(CCC#N)Cc2cccnc2)cc1	ZINC000500070727	561565264	/nfs/dbraw/zinc/56/52/64/561565264.db2.gz	AWZHMQDYXQSORD-UHFFFAOYSA-N	-1	3	358.423	2.009	20	30		FEEDHM
CCn1ccnc1[C@H]1OCCC[C@@H]1[N-]S(=O)(=O)Cc1ccc(C#N)cc1	ZINC000289230351	552286025	/nfs/dbraw/zinc/28/60/25/552286025.db2.gz	RTAVCKXUEJIDBO-IRXDYDNUSA-N	-1	3	374.466	2.114	20	30		FEEDHM
CC(C)OCc1nc([C@H](C)[N-]S(=O)(=O)Cc2ccc(C#N)cc2)no1	ZINC000289569685	552341975	/nfs/dbraw/zinc/34/19/75/552341975.db2.gz	PMNFCUWSJBAPKE-LBPRGKRZSA-N	-1	3	364.427	2.047	20	30		FEEDHM
N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H](CO)Cc1ccc(F)cc1	ZINC000501161274	561591682	/nfs/dbraw/zinc/59/16/82/561591682.db2.gz	FROBLLWPSLNPKJ-CYBMUJFWSA-N	-1	3	368.817	2.233	20	30		FEEDHM
C[C@@]1(c2cccc(NC(=O)[C@@]3(C#N)CC34CCCC4)c2)NC(=O)[N-]C1=O	ZINC000294485341	552909771	/nfs/dbraw/zinc/90/97/71/552909771.db2.gz	MZNSJDQMCRWJCU-HKUYNNGSSA-N	-1	3	352.394	2.154	20	30		FEEDHM
N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@@H]1CCO[C@@H](c2cccnc2)C1	ZINC000295927409	553076959	/nfs/dbraw/zinc/07/69/59/553076959.db2.gz	FSFYYSKJEVIGMA-HZPDHXFCSA-N	-1	3	361.398	2.291	20	30		FEEDHM
CCc1ccc([C@@H](O)C[N-]S(=O)(=O)Cc2ccc(F)cc2C#N)cc1	ZINC000296179193	553117779	/nfs/dbraw/zinc/11/77/79/553117779.db2.gz	VFUNOYISSFCQEX-SFHVURJKSA-N	-1	3	362.426	2.413	20	30		FEEDHM
C#Cc1ccc(CNC(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cc1	ZINC000296557051	553179133	/nfs/dbraw/zinc/17/91/33/553179133.db2.gz	CGAOOJJGZDYCHP-HNNXBMFYSA-N	-1	3	367.371	2.268	20	30		FEEDHM
CS(=O)(=O)[N-]c1cncc(C(=O)N[C@@H](C#N)c2ccc(Cl)cc2)c1	ZINC000503262987	561638574	/nfs/dbraw/zinc/63/85/74/561638574.db2.gz	AKQZHRCKQYIZKA-AWEZNQCLSA-N	-1	3	364.814	2.101	20	30		FEEDHM
C[C@@H](COCC(F)(F)F)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl	ZINC000503479487	561642442	/nfs/dbraw/zinc/64/24/42/561642442.db2.gz	ZZMDFMVMSBGRPK-QMMMGPOBSA-N	-1	3	356.753	2.457	20	30		FEEDHM
CC(=O)N1CC[C@H](C(=O)NCc2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)C1	ZINC000330123275	554069154	/nfs/dbraw/zinc/06/91/54/554069154.db2.gz	AQFHLNJOGDYUSQ-SCLBCKFNSA-N	-1	3	358.398	2.111	20	30		FEEDHM
CSCC[C@](C)(C#N)[N-]S(=O)(=O)c1cncc(Br)c1	ZINC000508066818	561749893	/nfs/dbraw/zinc/74/98/93/561749893.db2.gz	FOUYZCJDFIDTTQ-LLVKDONJSA-N	-1	3	364.290	2.158	20	30		FEEDHM
N#C[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1	ZINC000331113642	554215568	/nfs/dbraw/zinc/21/55/68/554215568.db2.gz	JPKHSMQLQANEFF-UFBFGSQYSA-N	-1	3	374.216	2.328	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCOC3(CCOCC3)C2)c(Cl)c1	ZINC000331473212	554271122	/nfs/dbraw/zinc/27/11/22/554271122.db2.gz	WFKOHLUOFOBCRC-ZDUSSCGKSA-N	-1	3	370.858	2.218	20	30		FEEDHM
COC1(c2noc(CCc3c(C)[n-]c(=O)c(C#N)c3C)n2)CCOCC1	ZINC000351007410	554829382	/nfs/dbraw/zinc/82/93/82/554829382.db2.gz	FEJNSYNSTOZOEH-UHFFFAOYSA-N	-1	3	358.398	2.096	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cnc2c(c1)COCC2	ZINC000360759080	554888769	/nfs/dbraw/zinc/88/87/69/554888769.db2.gz	MJYMIFHSUNQKNV-UHFFFAOYSA-N	-1	3	352.394	2.315	20	30		FEEDHM
N#Cc1ccc(CS(=O)(=O)[N-]Cc2noc(-c3ccccc3F)n2)cc1	ZINC000367450596	556052809	/nfs/dbraw/zinc/05/28/09/556052809.db2.gz	KLXPGDCMVHZROX-UHFFFAOYSA-N	-1	3	372.381	2.367	20	30		FEEDHM
C#CCCS(=O)(=O)[N-][C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O	ZINC000367950660	556180623	/nfs/dbraw/zinc/18/06/23/556180623.db2.gz	GXYQVWDHTNODOF-GFCCVEGCSA-N	-1	3	361.250	2.041	20	30		FEEDHM
COC(=O)C1([N-]S(=O)(=O)Cc2ccc(CC#N)cc2)CCCCC1	ZINC000518368880	562109836	/nfs/dbraw/zinc/10/98/36/562109836.db2.gz	LWMVBMCDWFVIGX-UHFFFAOYSA-N	-1	3	350.440	2.048	20	30		FEEDHM
CN1CC[C@@H](C[N-]S(=O)(=O)c2ccc(C#N)o2)[C@H]1c1cccs1	ZINC000376265102	558149640	/nfs/dbraw/zinc/14/96/40/558149640.db2.gz	KDKBSEZGSISDGC-NHYWBVRUSA-N	-1	3	351.453	2.184	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)c1cccnc1C#N)c1nccn1-c1ccccc1	ZINC000376368067	558163816	/nfs/dbraw/zinc/16/38/16/558163816.db2.gz	RYTJKFMKQXKFRV-ZDUSSCGKSA-N	-1	3	353.407	2.178	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1COC2(CCCC2)O1	ZINC000378390651	558546476	/nfs/dbraw/zinc/54/64/76/558546476.db2.gz	AXSRJFHWZPFABW-CQSZACIVSA-N	-1	3	359.426	2.010	20	30		FEEDHM
N#C[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(Br)cc2c1OCC2	ZINC000408212481	558657230	/nfs/dbraw/zinc/65/72/30/558657230.db2.gz	WVXRQVMEVHTMKC-ZYHUDNBSSA-N	-1	3	371.256	2.355	20	30		FEEDHM
CCN(C[C@H](C)C#N)S(=O)(=O)[N-][C@H](CC(C)C)C(=O)OC(C)(C)C	ZINC000409499769	558697498	/nfs/dbraw/zinc/69/74/98/558697498.db2.gz	IAQQKCZFYDOJNW-ZIAGYGMSSA-N	-1	3	361.508	2.059	20	30		FEEDHM
N#Cc1cccc(-n2ccc(C(=O)N=c3cc(-c4cccnc4)[n-][nH]3)n2)c1	ZINC000409607996	558707590	/nfs/dbraw/zinc/70/75/90/558707590.db2.gz	LYFPSXKOXKQJTK-UHFFFAOYSA-N	-1	3	355.361	2.781	20	30		FEEDHM
C=CCC1(CNC(=O)C[N-]S(=O)(=O)c2ccccc2F)CCCC1	ZINC000412390885	559032699	/nfs/dbraw/zinc/03/26/99/559032699.db2.gz	JXHOHNPCEDMVDR-UHFFFAOYSA-N	-1	3	354.447	2.357	20	30		FEEDHM
CN(C)CC1([N-]S(=O)(=O)c2cc(Br)ccc2C#N)CCC1	ZINC000416521445	559319567	/nfs/dbraw/zinc/31/95/67/559319567.db2.gz	ICFBNTBTIWABNF-UHFFFAOYSA-N	-1	3	372.288	2.083	20	30		FEEDHM
C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2cccc(Br)c2C#N)[C@@H](C)O1	ZINC000416603734	559324476	/nfs/dbraw/zinc/32/44/76/559324476.db2.gz	KYEZNXGPYIOXHA-GMTAPVOTSA-N	-1	3	373.272	2.413	20	30		FEEDHM
N#Cc1ccc(CNC(=O)CSCc2cc(=O)[n-]c(C3CC3)n2)cc1	ZINC000419585482	559448774	/nfs/dbraw/zinc/44/87/74/559448774.db2.gz	KBWMPWKHHWXUIW-UHFFFAOYSA-N	-1	3	354.435	2.481	20	30		FEEDHM
COC(=O)[C@@H](CNC(=O)C1(C#N)CCCCC1)Cc1ccc([O-])c(F)c1	ZINC000422046703	559562663	/nfs/dbraw/zinc/56/26/63/559562663.db2.gz	UAVAXPNETSJWFA-CQSZACIVSA-N	-1	3	362.401	2.453	20	30		FEEDHM
COCC[C@@](C)(C#N)[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F	ZINC000427747113	559761463	/nfs/dbraw/zinc/76/14/63/559761463.db2.gz	SPUBJEWBPRYCTF-LBPRGKRZSA-N	-1	3	370.324	2.321	20	30		FEEDHM
CC(C)OC(=O)C[C@@H]([N-]S(=O)(=O)c1cccnc1C#N)c1ccccc1	ZINC000428268779	559772644	/nfs/dbraw/zinc/77/26/44/559772644.db2.gz	NDMWQZNGIHPZSA-OAHLLOKOSA-N	-1	3	373.434	2.315	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-]CCOCc1ccc(Cl)cc1	ZINC000428409741	559774965	/nfs/dbraw/zinc/77/49/65/559774965.db2.gz	CTMANJJYCANWGL-UHFFFAOYSA-N	-1	3	351.815	2.102	20	30		FEEDHM
N#CCC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CC1	ZINC000429919167	559808610	/nfs/dbraw/zinc/80/86/10/559808610.db2.gz	DTNCIWYAWHLGGS-UHFFFAOYSA-N	-1	3	374.216	2.329	20	30		FEEDHM
N#CCC1(CNC(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)CC1	ZINC000432355827	559857244	/nfs/dbraw/zinc/85/72/44/559857244.db2.gz	AFFUKZJQQIPJKW-UHFFFAOYSA-N	-1	3	366.418	2.082	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]Cc2cccc(Cn3cccn3)c2)s1	ZINC000435442409	559923162	/nfs/dbraw/zinc/92/31/62/559923162.db2.gz	IIICZPGPUSMQQV-UHFFFAOYSA-N	-1	3	358.448	2.343	20	30		FEEDHM
CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N(C[C@@H](C)C#N)C1CC1	ZINC000441919974	560040949	/nfs/dbraw/zinc/04/09/49/560040949.db2.gz	MXJMJAUGRMIBAU-JTQLQIEISA-N	-1	3	363.439	2.322	20	30		FEEDHM
CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]CC1CCC(C#N)CC1	ZINC000443230705	560075474	/nfs/dbraw/zinc/07/54/74/560075474.db2.gz	YWLKHWDDSYVFLW-UHFFFAOYSA-N	-1	3	354.428	2.237	20	30		FEEDHM
N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](CO)c1cccc(F)c1	ZINC000443263116	560076690	/nfs/dbraw/zinc/07/66/90/560076690.db2.gz	LYHXCVAFXHYPIZ-AWEZNQCLSA-N	-1	3	354.790	2.363	20	30		FEEDHM
CN1C[C@@H](C[N-]S(=O)(=O)c2ccc(F)cc2C#N)Cc2ccccc21	ZINC000444292922	560108359	/nfs/dbraw/zinc/10/83/59/560108359.db2.gz	XXXGBYLZJIKOOH-CYBMUJFWSA-N	-1	3	359.426	2.284	20	30		FEEDHM
CC(C)[C@@H]([N-]S(=O)(=O)c1ccc(CC#N)cc1Cl)c1nncn1C	ZINC000451528595	560312178	/nfs/dbraw/zinc/31/21/78/560312178.db2.gz	FPLHPSIYURLACZ-CQSZACIVSA-N	-1	3	367.862	2.210	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]([C@H](CO)C1CC1)C1CC1	ZINC000452923081	560378032	/nfs/dbraw/zinc/37/80/32/560378032.db2.gz	MOOLICXKXNVSID-MJGOQNOKSA-N	-1	3	357.454	2.122	20	30		FEEDHM
CC#CCN(C)C(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1	ZINC000454840507	560460290	/nfs/dbraw/zinc/46/02/90/560460290.db2.gz	OJPGTSVFUUGXFU-UHFFFAOYSA-N	-1	3	363.361	2.014	20	30		FEEDHM
CN(CC(C)(C)C#N)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1	ZINC000455071131	560469082	/nfs/dbraw/zinc/46/90/82/560469082.db2.gz	UYQBSNQDZUXAQF-UHFFFAOYSA-N	-1	3	368.434	2.280	20	30		FEEDHM
CCc1ncc(S(=O)(=O)[N-]Cc2nc(-c3cccc(C#N)c3)c[nH]2)s1	ZINC000460925417	560755953	/nfs/dbraw/zinc/75/59/53/560755953.db2.gz	IKBOAMSHJYYOKT-UHFFFAOYSA-N	-1	3	373.463	2.446	20	30		FEEDHM
C[N-]S(=O)(=O)c1ccc(CNc2nc(C)c(C#N)cc2Cl)s1	ZINC000461734254	560780981	/nfs/dbraw/zinc/78/09/81/560780981.db2.gz	PPDUSVUDQQXNAP-UHFFFAOYSA-N	-1	3	356.860	2.497	20	30		FEEDHM
C=CCCCN(C)C(=O)C1([N-]S(=O)(=O)c2c(C)noc2C)CCCC1	ZINC000468980436	560943902	/nfs/dbraw/zinc/94/39/02/560943902.db2.gz	MMQCEYYTJQFLOK-UHFFFAOYSA-N	-1	3	369.487	2.307	20	30		FEEDHM
CO[C@@H](CC[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)C(F)(F)F	ZINC000469066509	560946333	/nfs/dbraw/zinc/94/63/33/560946333.db2.gz	UFQJXRKYWRXOAS-NSHDSACASA-N	-1	3	356.753	2.457	20	30		FEEDHM
C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000470611514	560985773	/nfs/dbraw/zinc/98/57/73/560985773.db2.gz	IWBQFIIPHOXDAL-UPJWGTAASA-N	-1	3	371.453	2.481	20	30		FEEDHM
C[C@H](CN1C[C@H](C)C[C@@H](C)C1)[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000470611513	560985780	/nfs/dbraw/zinc/98/57/80/560985780.db2.gz	IWBQFIIPHOXDAL-JHJVBQTASA-N	-1	3	371.453	2.481	20	30		FEEDHM
CCn1cnc(S(=O)(=O)[N-]C2CCC(Oc3ccccc3C#N)CC2)c1	ZINC000474138656	561066611	/nfs/dbraw/zinc/06/66/11/561066611.db2.gz	SJNBFWQCGGLWDD-UHFFFAOYSA-N	-1	3	374.466	2.443	20	30		FEEDHM
CC1(C)CCC([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)(C(N)=O)CC1	ZINC000476532083	561121748	/nfs/dbraw/zinc/12/17/48/561121748.db2.gz	IUTVQZIPVHGBSG-UHFFFAOYSA-N	-1	3	369.874	2.314	20	30		FEEDHM
Cc1ccccc1-c1nc(C[N-]S(=O)(=O)c2ccc(C#N)cc2)no1	ZINC000477139500	561137647	/nfs/dbraw/zinc/13/76/47/561137647.db2.gz	CDHDSTMQLRNONY-UHFFFAOYSA-N	-1	3	354.391	2.395	20	30		FEEDHM
COc1ccc(NC(=O)C(C#N)=C([O-])c2cnn(C3CC3)c2)cc1OC	ZINC000528919241	562352860	/nfs/dbraw/zinc/35/28/60/562352860.db2.gz	LNWDCRVLANKJQH-CQSZACIVSA-N	-1	3	354.366	2.196	20	30		FEEDHM
CSC[C@@](C)(C#N)[N-]S(=O)(=O)c1cscc1Br	ZINC000601960950	567887203	/nfs/dbraw/zinc/88/72/03/567887203.db2.gz	VKEONMSNGRBTAX-SECBINFHSA-N	-1	3	355.304	2.434	20	30		FEEDHM
N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H]([C@H](CO)C1CC1)C1CC1	ZINC000569796901	568425693	/nfs/dbraw/zinc/42/56/93/568425693.db2.gz	VJRXEPWRMDIOFA-CJNGLKHVSA-N	-1	3	354.859	2.287	20	30		FEEDHM
Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1Cc1ccc(C#N)cc1F	ZINC000737521732	598827950	/nfs/dbraw/zinc/82/79/50/598827950.db2.gz	BQVCNJZOTNGPMC-UHFFFAOYSA-N	-1	3	360.356	2.493	20	30		FEEDHM
Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1Cc1ccc(C#N)cc1F	ZINC000737521732	598827952	/nfs/dbraw/zinc/82/79/52/598827952.db2.gz	BQVCNJZOTNGPMC-UHFFFAOYSA-N	-1	3	360.356	2.493	20	30		FEEDHM
C[C@H](CC#N)OC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1	ZINC000735975121	598857917	/nfs/dbraw/zinc/85/79/17/598857917.db2.gz	NIIQMIFQHYCXLW-LLVKDONJSA-N	-1	3	353.338	2.498	20	30		FEEDHM
C[C@H](CC#N)OC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1	ZINC000735975121	598857918	/nfs/dbraw/zinc/85/79/18/598857918.db2.gz	NIIQMIFQHYCXLW-LLVKDONJSA-N	-1	3	353.338	2.498	20	30		FEEDHM
C#CCNC(=O)[C@H](C)Sc1nc(-c2ccccc2)ccc1-c1nnn[n-]1	ZINC000735382213	598900016	/nfs/dbraw/zinc/90/00/16/598900016.db2.gz	VZERPHSBMINSDH-LBPRGKRZSA-N	-1	3	364.434	2.159	20	30		FEEDHM
C#CCNC(=O)[C@H](C)Sc1nc(-c2ccccc2)ccc1-c1nn[n-]n1	ZINC000735382213	598900017	/nfs/dbraw/zinc/90/00/17/598900017.db2.gz	VZERPHSBMINSDH-LBPRGKRZSA-N	-1	3	364.434	2.159	20	30		FEEDHM
C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1	ZINC000736167219	598916183	/nfs/dbraw/zinc/91/61/83/598916183.db2.gz	CMQAJHJQQUOFJF-NSHDSACASA-N	-1	3	359.349	2.016	20	30		FEEDHM
C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1	ZINC000736167219	598916185	/nfs/dbraw/zinc/91/61/85/598916185.db2.gz	CMQAJHJQQUOFJF-NSHDSACASA-N	-1	3	359.349	2.016	20	30		FEEDHM
N#Cc1cc(NC(=O)c2ccc(C(F)(F)F)nc2)ccc1-c1nnn[n-]1	ZINC000737710181	598917974	/nfs/dbraw/zinc/91/79/74/598917974.db2.gz	UYTFICUCHNRRRZ-UHFFFAOYSA-N	-1	3	359.271	2.404	20	30		FEEDHM
N#Cc1cc(NC(=O)c2ccc(C(F)(F)F)nc2)ccc1-c1nn[n-]n1	ZINC000737710181	598917975	/nfs/dbraw/zinc/91/79/75/598917975.db2.gz	UYTFICUCHNRRRZ-UHFFFAOYSA-N	-1	3	359.271	2.404	20	30		FEEDHM
N#Cc1cc(NC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)ccc1-c1nnn[n-]1	ZINC000737706345	598921311	/nfs/dbraw/zinc/92/13/11/598921311.db2.gz	XGGOPOUUGGDMRA-HNNXBMFYSA-N	-1	3	366.768	2.334	20	30		FEEDHM
N#Cc1cc(NC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)ccc1-c1nn[n-]n1	ZINC000737706345	598921313	/nfs/dbraw/zinc/92/13/13/598921313.db2.gz	XGGOPOUUGGDMRA-HNNXBMFYSA-N	-1	3	366.768	2.334	20	30		FEEDHM
N#Cc1ccc(NC(=O)C2=NO[C@H](c3ccccc3)C2)cc1-c1nnn[n-]1	ZINC000737715890	598927640	/nfs/dbraw/zinc/92/76/40/598927640.db2.gz	GZEWIPFHRURAQX-INIZCTEOSA-N	-1	3	359.349	2.194	20	30		FEEDHM
N#Cc1ccc(NC(=O)C2=NO[C@H](c3ccccc3)C2)cc1-c1nn[n-]n1	ZINC000737715890	598927642	/nfs/dbraw/zinc/92/76/42/598927642.db2.gz	GZEWIPFHRURAQX-INIZCTEOSA-N	-1	3	359.349	2.194	20	30		FEEDHM
CCCN(CCC)C(=O)CCC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1	ZINC000736472920	598927870	/nfs/dbraw/zinc/92/78/70/598927870.db2.gz	AXSXESJGGVXOBI-UHFFFAOYSA-N	-1	3	369.429	2.106	20	30		FEEDHM
CCCN(CCC)C(=O)CCC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1	ZINC000736472920	598927871	/nfs/dbraw/zinc/92/78/71/598927871.db2.gz	AXSXESJGGVXOBI-UHFFFAOYSA-N	-1	3	369.429	2.106	20	30		FEEDHM
N#C[C@@H](NC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1)C1CC1	ZINC000737676508	598933751	/nfs/dbraw/zinc/93/37/51/598933751.db2.gz	WFUDHRSMWFNWLZ-QGZVFWFLSA-N	-1	3	374.404	2.478	20	30		FEEDHM
N#C[C@@H](NC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1)C1CC1	ZINC000737676508	598933753	/nfs/dbraw/zinc/93/37/53/598933753.db2.gz	WFUDHRSMWFNWLZ-QGZVFWFLSA-N	-1	3	374.404	2.478	20	30		FEEDHM
COc1cc(C)cc2c1OCCC2=NNCc1ccc(-c2nnn[n-]2)cc1	ZINC000821707785	607254570	/nfs/dbraw/zinc/25/45/70/607254570.db2.gz	FDFVXORGWZTFAV-UHFFFAOYSA-N	-1	3	364.409	2.460	20	30		FEEDHM
COc1cc(C)cc2c1OCCC2=NNCc1ccc(-c2nn[n-]n2)cc1	ZINC000821707785	607254571	/nfs/dbraw/zinc/25/45/71/607254571.db2.gz	FDFVXORGWZTFAV-UHFFFAOYSA-N	-1	3	364.409	2.460	20	30		FEEDHM
COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1ccc(C#N)nc1	ZINC000737024308	598983427	/nfs/dbraw/zinc/98/34/27/598983427.db2.gz	GANQTWFTURRAGF-UHFFFAOYSA-N	-1	3	356.729	2.015	20	30		FEEDHM
COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1ccc(C#N)nc1	ZINC000737024308	598983428	/nfs/dbraw/zinc/98/34/28/598983428.db2.gz	GANQTWFTURRAGF-UHFFFAOYSA-N	-1	3	356.729	2.015	20	30		FEEDHM
C[C@H](COc1cccc(C#N)c1)OC(=O)c1sccc1-c1nnn[n-]1	ZINC000736036841	599027915	/nfs/dbraw/zinc/02/79/15/599027915.db2.gz	AYDZYBCZGPVOPW-SNVBAGLBSA-N	-1	3	355.379	2.424	20	30		FEEDHM
C#CCOc1cc(F)ccc1NC(=O)COc1cccc(-c2nnn[n-]2)c1	ZINC000735380292	599092442	/nfs/dbraw/zinc/09/24/42/599092442.db2.gz	IPNZZNNXWGRPSP-UHFFFAOYSA-N	-1	3	367.340	2.035	20	30		FEEDHM
C#CCOc1cc(F)ccc1NC(=O)COc1cccc(-c2nn[n-]n2)c1	ZINC000735380292	599092444	/nfs/dbraw/zinc/09/24/44/599092444.db2.gz	IPNZZNNXWGRPSP-UHFFFAOYSA-N	-1	3	367.340	2.035	20	30		FEEDHM
COc1ccc(C=CC(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1-c1nnn[n-]1	ZINC000737082476	599156381	/nfs/dbraw/zinc/15/63/81/599156381.db2.gz	VRNKKVHMGNLAED-KXFIGUGUSA-N	-1	3	362.349	2.353	20	30		FEEDHM
COc1ccc(C=CC(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1-c1nn[n-]n1	ZINC000737082476	599156384	/nfs/dbraw/zinc/15/63/84/599156384.db2.gz	VRNKKVHMGNLAED-KXFIGUGUSA-N	-1	3	362.349	2.353	20	30		FEEDHM
C=CCOc1ccc(C(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)cc1	ZINC000735437546	599216378	/nfs/dbraw/zinc/21/63/78/599216378.db2.gz	LOAQZOFCHINYJO-UHFFFAOYSA-N	-1	3	365.393	2.240	20	30		FEEDHM
N#CCOc1ccc(Cl)cc1COC(=O)c1ccc(-c2nnn[n-]2)cn1	ZINC000737698245	599242408	/nfs/dbraw/zinc/24/24/08/599242408.db2.gz	VHIFOUJGXFEOJN-UHFFFAOYSA-N	-1	3	370.756	2.174	20	30		FEEDHM
N#CCOc1ccc(Cl)cc1COC(=O)c1ccc(-c2nn[n-]n2)cn1	ZINC000737698245	599242411	/nfs/dbraw/zinc/24/24/11/599242411.db2.gz	VHIFOUJGXFEOJN-UHFFFAOYSA-N	-1	3	370.756	2.174	20	30		FEEDHM
Cc1c(NC(=O)NCc2ccc(OCC#N)cc2)cccc1-c1nnn[n-]1	ZINC000822105035	607292672	/nfs/dbraw/zinc/29/26/72/607292672.db2.gz	TVJNIAFMUJAFAO-UHFFFAOYSA-N	-1	3	363.381	2.399	20	30		FEEDHM
Cc1c(NC(=O)NCc2ccc(OCC#N)cc2)cccc1-c1nn[n-]n1	ZINC000822105035	607292673	/nfs/dbraw/zinc/29/26/73/607292673.db2.gz	TVJNIAFMUJAFAO-UHFFFAOYSA-N	-1	3	363.381	2.399	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CCCC(=O)NC(C)C	ZINC000735420984	598257665	/nfs/dbraw/zinc/25/76/65/598257665.db2.gz	WDYCWXBIOHGUDZ-UHFFFAOYSA-N	-1	3	370.457	2.076	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CCCC(=O)NC(C)C	ZINC000735420984	598257666	/nfs/dbraw/zinc/25/76/66/598257666.db2.gz	WDYCWXBIOHGUDZ-UHFFFAOYSA-N	-1	3	370.457	2.076	20	30		FEEDHM
CS(=O)(=O)Nc1cccc(C(=O)C=Cc2cccc(-c3nnn[n-]3)c2)c1	ZINC000737169473	598295855	/nfs/dbraw/zinc/29/58/55/598295855.db2.gz	YYCGZMLZAFLHGL-HJWRWDBZSA-N	-1	3	369.406	2.134	20	30		FEEDHM
CS(=O)(=O)Nc1cccc(C(=O)C=Cc2cccc(-c3nn[n-]n3)c2)c1	ZINC000737169473	598295857	/nfs/dbraw/zinc/29/58/57/598295857.db2.gz	YYCGZMLZAFLHGL-HJWRWDBZSA-N	-1	3	369.406	2.134	20	30		FEEDHM
COc1ccc(-c2nnn[n-]2)cc1NC(=O)NCc1ccc(C#N)cc1F	ZINC000737061310	598324210	/nfs/dbraw/zinc/32/42/10/598324210.db2.gz	ADBPISJBFVTYMI-UHFFFAOYSA-N	-1	3	367.344	2.208	20	30		FEEDHM
COc1ccc(-c2nn[n-]n2)cc1NC(=O)NCc1ccc(C#N)cc1F	ZINC000737061310	598324212	/nfs/dbraw/zinc/32/42/12/598324212.db2.gz	ADBPISJBFVTYMI-UHFFFAOYSA-N	-1	3	367.344	2.208	20	30		FEEDHM
CC[C@@H](C#N)NC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1	ZINC000736309834	598331702	/nfs/dbraw/zinc/33/17/02/598331702.db2.gz	SJCNONMDIDWGFV-HNNXBMFYSA-N	-1	3	362.393	2.478	20	30		FEEDHM
CC[C@@H](C#N)NC(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1	ZINC000736309834	598331704	/nfs/dbraw/zinc/33/17/04/598331704.db2.gz	SJCNONMDIDWGFV-HNNXBMFYSA-N	-1	3	362.393	2.478	20	30		FEEDHM
C=CCN(Cc1cc(C(=O)OC)co1)Cc1cccc(-c2nn[n-]n2)c1	ZINC000735426797	598353932	/nfs/dbraw/zinc/35/39/32/598353932.db2.gz	XHPLJEYXERHIOK-UHFFFAOYSA-N	-1	3	353.382	2.435	20	30		FEEDHM
N#CCOc1ccc(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1	ZINC000737698334	598521283	/nfs/dbraw/zinc/52/12/83/598521283.db2.gz	XJFGJBDDYICPNK-UHFFFAOYSA-N	-1	3	351.326	2.289	20	30		FEEDHM
N#CCOc1ccc(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1	ZINC000737698334	598521285	/nfs/dbraw/zinc/52/12/85/598521285.db2.gz	XJFGJBDDYICPNK-UHFFFAOYSA-N	-1	3	351.326	2.289	20	30		FEEDHM
C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccc(F)c(C#N)c1	ZINC000736181858	598585887	/nfs/dbraw/zinc/58/58/87/598585887.db2.gz	BPZOLSZCHWTHDD-JTQLQIEISA-N	-1	3	352.329	2.283	20	30		FEEDHM
C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccc(F)c(C#N)c1	ZINC000736181858	598585890	/nfs/dbraw/zinc/58/58/90/598585890.db2.gz	BPZOLSZCHWTHDD-JTQLQIEISA-N	-1	3	352.329	2.283	20	30		FEEDHM
N#Cc1ccc(CS(=O)(=O)CC(=O)Nc2c([O-])cccc2Cl)cc1	ZINC000557181011	674441022	/nfs/dbraw/zinc/44/10/22/674441022.db2.gz	KVHARIFKILGEKD-UHFFFAOYSA-N	-1	3	364.810	2.471	20	30		FEEDHM
C[C@@H](CC#N)N(C)C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1	ZINC000735963341	598753020	/nfs/dbraw/zinc/75/30/20/598753020.db2.gz	DQFZYEWRKKERCY-LBPRGKRZSA-N	-1	3	366.381	2.413	20	30		FEEDHM
COc1cccc2c1OCC(=Cc1cnc3ccc(-c4nnn[n-]4)cn13)C2=O	ZINC000737140997	599463122	/nfs/dbraw/zinc/46/31/22/599463122.db2.gz	ILUKDTNRIANJTP-KPKJPENVSA-N	-1	3	374.360	2.182	20	30		FEEDHM
COc1cccc2c1OCC(=Cc1cnc3ccc(-c4nn[n-]n4)cn13)C2=O	ZINC000737140997	599463124	/nfs/dbraw/zinc/46/31/24/599463124.db2.gz	ILUKDTNRIANJTP-KPKJPENVSA-N	-1	3	374.360	2.182	20	30		FEEDHM
CON=Cc1ccc(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1	ZINC000821697828	599539958	/nfs/dbraw/zinc/53/99/58/599539958.db2.gz	SSQWBPQXMSPZTP-LBPRGKRZSA-N	-1	3	350.382	2.338	20	30		FEEDHM
CON=Cc1ccc(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1	ZINC000821697828	599539961	/nfs/dbraw/zinc/53/99/61/599539961.db2.gz	SSQWBPQXMSPZTP-LBPRGKRZSA-N	-1	3	350.382	2.338	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)COc1ccc(O)cc1	ZINC000819743117	599698361	/nfs/dbraw/zinc/69/83/61/599698361.db2.gz	CVYQZXPUAJNVJW-UHFFFAOYSA-N	-1	3	365.393	2.166	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)COc1ccc(O)cc1	ZINC000819743117	599698362	/nfs/dbraw/zinc/69/83/62/599698362.db2.gz	CVYQZXPUAJNVJW-UHFFFAOYSA-N	-1	3	365.393	2.166	20	30		FEEDHM
Brc1cnn(N=C2CCCc3cc(-c4nnn[n-]4)ccc32)c1	ZINC000823832742	607782739	/nfs/dbraw/zinc/78/27/39/607782739.db2.gz	VJVSVZGZTGMDTM-UHFFFAOYSA-N	-1	3	358.203	2.414	20	30		FEEDHM
Brc1cnn(N=C2CCCc3cc(-c4nn[n-]n4)ccc32)c1	ZINC000823832742	607782740	/nfs/dbraw/zinc/78/27/40/607782740.db2.gz	VJVSVZGZTGMDTM-UHFFFAOYSA-N	-1	3	358.203	2.414	20	30		FEEDHM
C#CCN1CCC(C(=O)N[C@H](CC(=O)[O-])c2ccc(SC)cc2)CC1	ZINC000736078619	599845297	/nfs/dbraw/zinc/84/52/97/599845297.db2.gz	CHLFPYPOCCVAEE-QGZVFWFLSA-N	-1	3	360.479	2.386	20	30		FEEDHM
COc1ccc(C#N)cc1COC(=O)CCc1ccc(-c2nnn[n-]2)cc1	ZINC000821768866	607412907	/nfs/dbraw/zinc/41/29/07/607412907.db2.gz	ALQUEROQUWLBHK-UHFFFAOYSA-N	-1	3	363.377	2.423	20	30		FEEDHM
COc1ccc(C#N)cc1COC(=O)CCc1ccc(-c2nn[n-]n2)cc1	ZINC000821768866	607412908	/nfs/dbraw/zinc/41/29/08/607412908.db2.gz	ALQUEROQUWLBHK-UHFFFAOYSA-N	-1	3	363.377	2.423	20	30		FEEDHM
C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NC1(c2cccc(C#N)c2)CC1	ZINC000824744364	607420757	/nfs/dbraw/zinc/42/07/57/607420757.db2.gz	APUWIIVSXZYGBE-ZDUSSCGKSA-N	-1	3	374.404	2.311	20	30		FEEDHM
C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NC1(c2cccc(C#N)c2)CC1	ZINC000824744364	607420759	/nfs/dbraw/zinc/42/07/59/607420759.db2.gz	APUWIIVSXZYGBE-ZDUSSCGKSA-N	-1	3	374.404	2.311	20	30		FEEDHM
O=C1c2cc3c(cc2OCC1=Cc1ccc(-c2nnn[n-]2)cc1F)OCO3	ZINC000823503370	607460758	/nfs/dbraw/zinc/46/07/58/607460758.db2.gz	DZXMIZUGFVTHFH-QDEBKDIKSA-N	-1	3	366.308	2.393	20	30		FEEDHM
O=C1c2cc3c(cc2OCC1=Cc1ccc(-c2nn[n-]n2)cc1F)OCO3	ZINC000823503370	607460759	/nfs/dbraw/zinc/46/07/59/607460759.db2.gz	DZXMIZUGFVTHFH-QDEBKDIKSA-N	-1	3	366.308	2.393	20	30		FEEDHM
COc1ccc(NC(=S)NN=Cc2ccc(-c3nnn[n-]3)cc2F)cc1	ZINC000821835144	607463135	/nfs/dbraw/zinc/46/31/35/607463135.db2.gz	FTVXTBNQBYTKAM-UHFFFAOYSA-N	-1	3	371.401	2.335	20	30		FEEDHM
COc1ccc(NC(=S)NN=Cc2ccc(-c3nn[n-]n3)cc2F)cc1	ZINC000821835144	607463137	/nfs/dbraw/zinc/46/31/37/607463137.db2.gz	FTVXTBNQBYTKAM-UHFFFAOYSA-N	-1	3	371.401	2.335	20	30		FEEDHM
Fc1cc(-c2nnn[n-]2)ccc1C=NN1C(=S)N=NC1[C@H]1CCCCO1	ZINC000822739638	607464853	/nfs/dbraw/zinc/46/48/53/607464853.db2.gz	AZYUBCGSCXYPKF-GFCCVEGCSA-N	-1	3	374.405	2.010	20	30		FEEDHM
Fc1cc(-c2nn[n-]n2)ccc1C=NN1C(=S)N=NC1[C@H]1CCCCO1	ZINC000822739638	607464856	/nfs/dbraw/zinc/46/48/56/607464856.db2.gz	AZYUBCGSCXYPKF-GFCCVEGCSA-N	-1	3	374.405	2.010	20	30		FEEDHM
CS(=O)(=O)Cc1ccc(CN[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1	ZINC000832676587	601302115	/nfs/dbraw/zinc/30/21/15/601302115.db2.gz	XGNAORUAXAJSRD-KRWDZBQOSA-N	-1	3	358.419	2.018	20	30		FEEDHM
CN(Cc1cccc(C#N)c1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[O-]	ZINC000828365654	603398450	/nfs/dbraw/zinc/39/84/50/603398450.db2.gz	BJRWOCIXDSWZMS-OALUTQOASA-N	-1	3	353.422	2.230	20	30		FEEDHM
N#Cc1ccsc1N1CC[C@H](NCC2(NC(=O)[O-])CCCCC2)C1=O	ZINC000831157289	603566297	/nfs/dbraw/zinc/56/62/97/603566297.db2.gz	UTYZACWYEAPONS-ZDUSSCGKSA-N	-1	3	362.455	2.285	20	30		FEEDHM
Cc1cc(-c2nnn[n-]2)cc(C)c1OS(=O)(=O)c1ccccc1C#N	ZINC000826243579	607649056	/nfs/dbraw/zinc/64/90/56/607649056.db2.gz	NJURCGGQBBQNCC-UHFFFAOYSA-N	-1	3	355.379	2.123	20	30		FEEDHM
Cc1cc(-c2nn[n-]n2)cc(C)c1OS(=O)(=O)c1ccccc1C#N	ZINC000826243579	607649057	/nfs/dbraw/zinc/64/90/57/607649057.db2.gz	NJURCGGQBBQNCC-UHFFFAOYSA-N	-1	3	355.379	2.123	20	30		FEEDHM
Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc(F)cc1OCC#N	ZINC000826250271	607707520	/nfs/dbraw/zinc/70/75/20/607707520.db2.gz	SKFUPVARSYKTRB-UHFFFAOYSA-N	-1	3	352.329	2.469	20	30		FEEDHM
Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccc(F)cc1OCC#N	ZINC000826250271	607707522	/nfs/dbraw/zinc/70/75/22/607707522.db2.gz	SKFUPVARSYKTRB-UHFFFAOYSA-N	-1	3	352.329	2.469	20	30		FEEDHM
O=C(C#Cc1ccccc1)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1	ZINC000822911911	606152874	/nfs/dbraw/zinc/15/28/74/606152874.db2.gz	DDRMDKVTHWHSRW-UHFFFAOYSA-N	-1	3	373.416	2.288	20	30		FEEDHM
O=C(C#Cc1ccccc1)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1	ZINC000822911911	606152876	/nfs/dbraw/zinc/15/28/76/606152876.db2.gz	DDRMDKVTHWHSRW-UHFFFAOYSA-N	-1	3	373.416	2.288	20	30		FEEDHM
CO[C@@H](C)c1nc(CSc2nc(N)c(C#N)cc2-c2nnn[n-]2)cs1	ZINC000821675172	606170845	/nfs/dbraw/zinc/17/08/45/606170845.db2.gz	FIUBEGYKJKOEBB-ZETCQYMHSA-N	-1	3	374.455	2.172	20	30		FEEDHM
CO[C@@H](C)c1nc(CSc2nc(N)c(C#N)cc2-c2nn[n-]n2)cs1	ZINC000821675172	606170847	/nfs/dbraw/zinc/17/08/47/606170847.db2.gz	FIUBEGYKJKOEBB-ZETCQYMHSA-N	-1	3	374.455	2.172	20	30		FEEDHM
COC(=O)[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)Cc1cccc(C#N)c1	ZINC000821650692	606315398	/nfs/dbraw/zinc/31/53/98/606315398.db2.gz	XDVWFEBLMAAYCS-KRWDZBQOSA-N	-1	3	362.393	2.084	20	30		FEEDHM
COC(=O)[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)Cc1cccc(C#N)c1	ZINC000821650692	606315399	/nfs/dbraw/zinc/31/53/99/606315399.db2.gz	XDVWFEBLMAAYCS-KRWDZBQOSA-N	-1	3	362.393	2.084	20	30		FEEDHM
N#Cc1ccc(C(=O)NCCSCc2ccccc2-c2nnn[n-]2)s1	ZINC000822822661	606496118	/nfs/dbraw/zinc/49/61/18/606496118.db2.gz	AKQWNBCNWMUZAS-UHFFFAOYSA-N	-1	3	370.463	2.463	20	30		FEEDHM
N#Cc1ccc(C(=O)NCCSCc2ccccc2-c2nn[n-]n2)s1	ZINC000822822661	606496120	/nfs/dbraw/zinc/49/61/20/606496120.db2.gz	AKQWNBCNWMUZAS-UHFFFAOYSA-N	-1	3	370.463	2.463	20	30		FEEDHM
CN(C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccc(C#N)cc1F	ZINC000821571775	606677091	/nfs/dbraw/zinc/67/70/91/606677091.db2.gz	DZOIQBPOSHGZHT-UHFFFAOYSA-N	-1	3	358.283	2.432	20	30		FEEDHM
CN(C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccc(C#N)cc1F	ZINC000821571775	606677092	/nfs/dbraw/zinc/67/70/92/606677092.db2.gz	DZOIQBPOSHGZHT-UHFFFAOYSA-N	-1	3	358.283	2.432	20	30		FEEDHM
COc1ccc2c(c1)C=C(C(=O)Nc1ccc(-c3nnn[n-]3)c(C#N)c1)CO2	ZINC000821849519	606680913	/nfs/dbraw/zinc/68/09/13/606680913.db2.gz	LBRFLGMRPBIQMF-UHFFFAOYSA-N	-1	3	374.360	2.161	20	30		FEEDHM
COc1ccc2c(c1)C=C(C(=O)Nc1ccc(-c3nn[n-]n3)c(C#N)c1)CO2	ZINC000821849519	606680914	/nfs/dbraw/zinc/68/09/14/606680914.db2.gz	LBRFLGMRPBIQMF-UHFFFAOYSA-N	-1	3	374.360	2.161	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCCOCC(=C)C	ZINC000819745945	606811759	/nfs/dbraw/zinc/81/17/59/606811759.db2.gz	VZMGKTAPFKIBKN-UHFFFAOYSA-N	-1	3	356.430	2.157	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCCOCC(=C)C	ZINC000819745945	606811761	/nfs/dbraw/zinc/81/17/61/606811761.db2.gz	VZMGKTAPFKIBKN-UHFFFAOYSA-N	-1	3	356.430	2.157	20	30		FEEDHM
C=C(C)COCCNC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C	ZINC000819722186	606812240	/nfs/dbraw/zinc/81/22/40/606812240.db2.gz	BKXWVXGITRERNC-UHFFFAOYSA-N	-1	3	358.446	2.379	20	30		FEEDHM
C=C(C)COCCNC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C	ZINC000819722186	606812241	/nfs/dbraw/zinc/81/22/41/606812241.db2.gz	BKXWVXGITRERNC-UHFFFAOYSA-N	-1	3	358.446	2.379	20	30		FEEDHM
N#Cc1cc(-c2nnn[n-]2)c(SCc2ccn(C3CCCC3)n2)nc1N	ZINC000822819124	606838218	/nfs/dbraw/zinc/83/82/18/606838218.db2.gz	LDAJISQXWYMPGY-UHFFFAOYSA-N	-1	3	367.442	2.319	20	30		FEEDHM
N#Cc1cc(-c2nn[n-]n2)c(SCc2ccn(C3CCCC3)n2)nc1N	ZINC000822819124	606838220	/nfs/dbraw/zinc/83/82/20/606838220.db2.gz	LDAJISQXWYMPGY-UHFFFAOYSA-N	-1	3	367.442	2.319	20	30		FEEDHM
C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCc1ccc(F)c(C#N)c1	ZINC000820533952	606991658	/nfs/dbraw/zinc/99/16/58/606991658.db2.gz	IFMMGBOSDKRPOY-LLVKDONJSA-N	-1	3	367.340	2.388	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2cccnc2Br)cc1-c1nnn[n-]1	ZINC000822829856	607019514	/nfs/dbraw/zinc/01/95/14/607019514.db2.gz	MFXDWJXIRKJLOF-UHFFFAOYSA-N	-1	3	370.170	2.148	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2cccnc2Br)cc1-c1nn[n-]n1	ZINC000822829856	607019515	/nfs/dbraw/zinc/01/95/15/607019515.db2.gz	MFXDWJXIRKJLOF-UHFFFAOYSA-N	-1	3	370.170	2.148	20	30		FEEDHM
COc1ccc(C=CC(=O)c2cn(-c3ccccc3)nn2)cc1-c1nnn[n-]1	ZINC000821786973	607023674	/nfs/dbraw/zinc/02/36/74/607023674.db2.gz	MQAHOQTUQFJHQC-CLFYSBASSA-N	-1	3	373.376	2.352	20	30		FEEDHM
COc1ccc(C=CC(=O)c2cn(-c3ccccc3)nn2)cc1-c1nn[n-]n1	ZINC000821786973	607023676	/nfs/dbraw/zinc/02/36/76/607023676.db2.gz	MQAHOQTUQFJHQC-CLFYSBASSA-N	-1	3	373.376	2.352	20	30		FEEDHM
C[C@H](C#N)CN(CCC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C1CC1	ZINC000824035462	607831429	/nfs/dbraw/zinc/83/14/29/607831429.db2.gz	YLJQRVBZKWVBIS-LLVKDONJSA-N	-1	3	373.848	2.473	20	30		FEEDHM
C[C@H](C#N)CN(CCC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C1CC1	ZINC000824035462	607831430	/nfs/dbraw/zinc/83/14/30/607831430.db2.gz	YLJQRVBZKWVBIS-LLVKDONJSA-N	-1	3	373.848	2.473	20	30		FEEDHM
N#Cc1cc(NC(=O)c2csc([C@@H]3CCCO3)n2)ccc1-c1nnn[n-]1	ZINC000826384204	607927690	/nfs/dbraw/zinc/92/76/90/607927690.db2.gz	LJFDMBHMBSKADV-ZDUSSCGKSA-N	-1	3	367.394	2.299	20	30		FEEDHM
N#Cc1cc(NC(=O)c2csc([C@@H]3CCCO3)n2)ccc1-c1nn[n-]n1	ZINC000826384204	607927691	/nfs/dbraw/zinc/92/76/91/607927691.db2.gz	LJFDMBHMBSKADV-ZDUSSCGKSA-N	-1	3	367.394	2.299	20	30		FEEDHM
N#Cc1ccc(SCC(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)cc1	ZINC000826385806	607953536	/nfs/dbraw/zinc/95/35/36/607953536.db2.gz	BNSUJZGBINZAMN-UHFFFAOYSA-N	-1	3	362.418	2.420	20	30		FEEDHM
N#Cc1ccc(SCC(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)cc1	ZINC000826385806	607953537	/nfs/dbraw/zinc/95/35/37/607953537.db2.gz	BNSUJZGBINZAMN-UHFFFAOYSA-N	-1	3	362.418	2.420	20	30		FEEDHM
C=C(C)[C@H](CC(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1)OCC	ZINC000823873968	608086685	/nfs/dbraw/zinc/08/66/85/608086685.db2.gz	QTDAFHOSCMPMMH-DLBZAZTESA-N	-1	3	371.441	2.138	20	30		FEEDHM
C=C(C)[C@H](CC(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1)OCC	ZINC000823873968	608086686	/nfs/dbraw/zinc/08/66/86/608086686.db2.gz	QTDAFHOSCMPMMH-DLBZAZTESA-N	-1	3	371.441	2.138	20	30		FEEDHM
COCC#CCOC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C	ZINC000826147145	608104289	/nfs/dbraw/zinc/10/42/89/608104289.db2.gz	OKNQTHNZURBFJF-UHFFFAOYSA-N	-1	3	365.393	2.081	20	30		FEEDHM
COc1ccc(-c2nn[n-]n2)cc1CON=C(N)c1ccc(F)c(C)c1	ZINC000826184860	608150831	/nfs/dbraw/zinc/15/08/31/608150831.db2.gz	NOIKWKGDTBWBAI-UHFFFAOYSA-N	-1	3	356.361	2.160	20	30		FEEDHM
CCN(CCC#N)C(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1	ZINC000825419473	608180202	/nfs/dbraw/zinc/18/02/02/608180202.db2.gz	QEXKNNNRDKGWBL-UHFFFAOYSA-N	-1	3	366.381	2.414	20	30		FEEDHM
CCN(CCC#N)C(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1	ZINC000825419473	608180204	/nfs/dbraw/zinc/18/02/04/608180204.db2.gz	QEXKNNNRDKGWBL-UHFFFAOYSA-N	-1	3	366.381	2.414	20	30		FEEDHM
COCCn1nc(C)c(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2)c1C	ZINC000826163623	608231040	/nfs/dbraw/zinc/23/10/40/608231040.db2.gz	CQTHZFNGTGKTEZ-TWGQIWQCSA-N	-1	3	352.398	2.223	20	30		FEEDHM
COCCn1nc(C)c(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2)c1C	ZINC000826163623	608231042	/nfs/dbraw/zinc/23/10/42/608231042.db2.gz	CQTHZFNGTGKTEZ-TWGQIWQCSA-N	-1	3	352.398	2.223	20	30		FEEDHM
C#CCCCCC(=O)NC1CCN(c2ccccc2-c2nnn[n-]2)CC1	ZINC000823838988	608308157	/nfs/dbraw/zinc/30/81/57/608308157.db2.gz	XUINFDJODQTCAU-UHFFFAOYSA-N	-1	3	352.442	2.145	20	30		FEEDHM
C#CCCCCC(=O)NC1CCN(c2ccccc2-c2nn[n-]n2)CC1	ZINC000823838988	608308159	/nfs/dbraw/zinc/30/81/59/608308159.db2.gz	XUINFDJODQTCAU-UHFFFAOYSA-N	-1	3	352.442	2.145	20	30		FEEDHM
N#Cc1cc([N+](=O)[O-])cnc1N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1	ZINC000826384023	608442415	/nfs/dbraw/zinc/44/24/15/608442415.db2.gz	CMXZYQNKEQGDJP-UHFFFAOYSA-N	-1	3	374.364	2.335	20	30		FEEDHM
N#Cc1cc([N+](=O)[O-])cnc1N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1	ZINC000826384023	608442417	/nfs/dbraw/zinc/44/24/17/608442417.db2.gz	CMXZYQNKEQGDJP-UHFFFAOYSA-N	-1	3	374.364	2.335	20	30		FEEDHM
N#CCOc1ccc(CC(=O)OCc2cccc(-c3nnn[n-]3)c2F)cc1	ZINC000826381889	608448079	/nfs/dbraw/zinc/44/80/79/608448079.db2.gz	DHGRBPDBCFSVKL-UHFFFAOYSA-N	-1	3	367.340	2.194	20	30		FEEDHM
N#CCOc1ccc(CC(=O)OCc2cccc(-c3nn[n-]n3)c2F)cc1	ZINC000826381889	608448081	/nfs/dbraw/zinc/44/80/81/608448081.db2.gz	DHGRBPDBCFSVKL-UHFFFAOYSA-N	-1	3	367.340	2.194	20	30		FEEDHM
C=CCOc1cccnc1C(=O)OCc1ccc(-c2nnn[n-]2)cc1OC	ZINC000823932066	608457471	/nfs/dbraw/zinc/45/74/71/608457471.db2.gz	MVBDGZPLUOLISS-UHFFFAOYSA-N	-1	3	367.365	2.192	20	30		FEEDHM
C=CCOc1cccnc1C(=O)OCc1ccc(-c2nn[n-]n2)cc1OC	ZINC000823932066	608457472	/nfs/dbraw/zinc/45/74/72/608457472.db2.gz	MVBDGZPLUOLISS-UHFFFAOYSA-N	-1	3	367.365	2.192	20	30		FEEDHM
N#C[C@@H](NC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1)C1CC1	ZINC000826380296	608501249	/nfs/dbraw/zinc/50/12/49/608501249.db2.gz	UUNUNKAXZDEKGH-OAHLLOKOSA-N	-1	3	364.365	2.071	20	30		FEEDHM
N#C[C@@H](NC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1)C1CC1	ZINC000826380296	608501250	/nfs/dbraw/zinc/50/12/50/608501250.db2.gz	UUNUNKAXZDEKGH-OAHLLOKOSA-N	-1	3	364.365	2.071	20	30		FEEDHM
CC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1ccc2c(c1)OCO2	ZINC000823958329	608539726	/nfs/dbraw/zinc/53/97/26/608539726.db2.gz	JKGDHXGEXCJYIU-UHFFFAOYSA-N	-1	3	357.761	2.480	20	30		FEEDHM
CC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1ccc2c(c1)OCO2	ZINC000823958329	608539727	/nfs/dbraw/zinc/53/97/27/608539727.db2.gz	JKGDHXGEXCJYIU-UHFFFAOYSA-N	-1	3	357.761	2.480	20	30		FEEDHM
Cc1c(C)n(-c2ccccc2)c(NC(=O)CSCC#N)c1-c1nnn[n-]1	ZINC000826233531	609165569	/nfs/dbraw/zinc/16/55/69/609165569.db2.gz	LGLDLPRDPCEGMB-UHFFFAOYSA-N	-1	3	367.438	2.470	20	30		FEEDHM
Cc1c(C)n(-c2ccccc2)c(NC(=O)CSCC#N)c1-c1nn[n-]n1	ZINC000826233531	609165570	/nfs/dbraw/zinc/16/55/70/609165570.db2.gz	LGLDLPRDPCEGMB-UHFFFAOYSA-N	-1	3	367.438	2.470	20	30		FEEDHM
Cc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)nn1[C@@H](C)C1CC1	ZINC000826260495	609188112	/nfs/dbraw/zinc/18/81/12/609188112.db2.gz	QUCSYZKHEKGDPW-NSHDSACASA-N	-1	3	362.397	2.467	20	30		FEEDHM
Cc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)nn1[C@@H](C)C1CC1	ZINC000826260495	609188113	/nfs/dbraw/zinc/18/81/13/609188113.db2.gz	QUCSYZKHEKGDPW-NSHDSACASA-N	-1	3	362.397	2.467	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](C)[C@@H]1CCCOC1	ZINC000823909401	609191246	/nfs/dbraw/zinc/19/12/46/609191246.db2.gz	BNPZCQIYFMVLGQ-WMLDXEAASA-N	-1	3	370.457	2.379	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](C)[C@@H]1CCCOC1	ZINC000823909401	609191247	/nfs/dbraw/zinc/19/12/47/609191247.db2.gz	BNPZCQIYFMVLGQ-WMLDXEAASA-N	-1	3	370.457	2.379	20	30		FEEDHM
Cc1ccc(N(CCC#N)C(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1	ZINC000826289743	609215606	/nfs/dbraw/zinc/21/56/06/609215606.db2.gz	LFFFDJPDZZYESB-KRWDZBQOSA-N	-1	3	362.393	2.155	20	30		FEEDHM
Cc1ccc(N(CCC#N)C(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1	ZINC000826289743	609215608	/nfs/dbraw/zinc/21/56/08/609215608.db2.gz	LFFFDJPDZZYESB-KRWDZBQOSA-N	-1	3	362.393	2.155	20	30		FEEDHM
N#CCc1ccccc1CC(=O)OCCOc1cccc(-c2nnn[n-]2)c1	ZINC000826382464	609244511	/nfs/dbraw/zinc/24/45/11/609244511.db2.gz	FVRKRIMBUCXQEQ-UHFFFAOYSA-N	-1	3	363.377	2.097	20	30		FEEDHM
N#CCc1ccccc1CC(=O)OCCOc1cccc(-c2nn[n-]n2)c1	ZINC000826382464	609244512	/nfs/dbraw/zinc/24/45/12/609244512.db2.gz	FVRKRIMBUCXQEQ-UHFFFAOYSA-N	-1	3	363.377	2.097	20	30		FEEDHM
N#Cc1ccc2ncc(C=CC(=O)c3ccc(-c4nnn[n-]4)cc3F)n2c1	ZINC000826386520	609274948	/nfs/dbraw/zinc/27/49/48/609274948.db2.gz	IHZBWKZZQGVWDM-HWKANZROSA-N	-1	3	359.324	2.421	20	30		FEEDHM
N#Cc1ccc2ncc(C=CC(=O)c3ccc(-c4nn[n-]n4)cc3F)n2c1	ZINC000826386520	609274950	/nfs/dbraw/zinc/27/49/50/609274950.db2.gz	IHZBWKZZQGVWDM-HWKANZROSA-N	-1	3	359.324	2.421	20	30		FEEDHM
CC(=O)N1CCC(=NNc2ccc(-c3nn[n-]n3)cc2)c2ccccc2C1	ZINC000823975280	609409709	/nfs/dbraw/zinc/40/97/09/609409709.db2.gz	VUCOXAMOYABTOI-UHFFFAOYSA-N	-1	3	361.409	2.435	20	30		FEEDHM
CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1ccc(-c2nnn[n-]2)cc1	ZINC000824099479	609506209	/nfs/dbraw/zinc/50/62/09/609506209.db2.gz	HHDAXLFYGLUNLF-KRWDZBQOSA-N	-1	3	356.386	2.067	20	30		FEEDHM
CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1ccc(-c2nn[n-]n2)cc1	ZINC000824099479	609506211	/nfs/dbraw/zinc/50/62/11/609506211.db2.gz	HHDAXLFYGLUNLF-KRWDZBQOSA-N	-1	3	356.386	2.067	20	30		FEEDHM
Cc1ccnc(NCc2nc(-c3cccc(C#N)c3)c[nH]2)c1-c1nnn[n-]1	ZINC000826315126	609585360	/nfs/dbraw/zinc/58/53/60/609585360.db2.gz	YZKBOBLPRVCLNG-UHFFFAOYSA-N	-1	3	357.381	2.444	20	30		FEEDHM
Cc1ccnc(NCc2nc(-c3cccc(C#N)c3)c[nH]2)c1-c1nn[n-]n1	ZINC000826315126	609585363	/nfs/dbraw/zinc/58/53/63/609585363.db2.gz	YZKBOBLPRVCLNG-UHFFFAOYSA-N	-1	3	357.381	2.444	20	30		FEEDHM
C[C@H](C#N)Oc1ccccc1NC(=O)COc1ccccc1-c1nnn[n-]1	ZINC000824033962	609624744	/nfs/dbraw/zinc/62/47/44/609624744.db2.gz	DIGLHACJWLNPSY-GFCCVEGCSA-N	-1	3	364.365	2.175	20	30		FEEDHM
C[C@H](C#N)Oc1ccccc1NC(=O)COc1ccccc1-c1nn[n-]n1	ZINC000824033962	609624745	/nfs/dbraw/zinc/62/47/45/609624745.db2.gz	DIGLHACJWLNPSY-GFCCVEGCSA-N	-1	3	364.365	2.175	20	30		FEEDHM
CN(C)S(=O)(=O)c1ccc(NN=Cc2c(F)ccc([O-])c2F)cc1	ZINC000812228729	674658342	/nfs/dbraw/zinc/65/83/42/674658342.db2.gz	DSMUPYDNTOZFRW-UHFFFAOYSA-N	-1	3	355.366	2.367	20	30		FEEDHM
CCN(CC(C)(C)C)C(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000812756156	674696652	/nfs/dbraw/zinc/69/66/52/674696652.db2.gz	QRUJVWPHHQYNIP-CYBMUJFWSA-N	-1	3	365.499	2.398	20	30		FEEDHM
COCC(=N[N-]S(=O)(=O)Cc1ccccc1)c1cccc([N+](=O)[O-])c1	ZINC000814816277	674881756	/nfs/dbraw/zinc/88/17/56/674881756.db2.gz	MLIOWZNFNSHVLX-UHFFFAOYSA-N	-1	3	363.395	2.065	20	30		FEEDHM
C[C@@H](COC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21)C1CCCCC1	ZINC000815174774	674925955	/nfs/dbraw/zinc/92/59/55/674925955.db2.gz	LFXIUMAQIYEABP-ZDUSSCGKSA-N	-1	3	364.467	2.485	20	30		FEEDHM
N#Cc1cc([N-]S(=O)(=O)CCOCC2CC2)ccc1Br	ZINC000563950920	674957407	/nfs/dbraw/zinc/95/74/07/674957407.db2.gz	GXCYGCXNSJXRPB-UHFFFAOYSA-N	-1	3	359.245	2.489	20	30		FEEDHM
CCC1(COC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)CC1	ZINC000816184074	675031715	/nfs/dbraw/zinc/03/17/15/675031715.db2.gz	KKUBRAMZHWSXSC-GFCCVEGCSA-N	-1	3	350.440	2.237	20	30		FEEDHM
Cc1nn(-c2ccccc2)c2sc(C(=O)N[C@H]3CCN([O-])C3=O)cc12	ZINC000816690025	675073266	/nfs/dbraw/zinc/07/32/66/675073266.db2.gz	FMWPQWKEBQEMAT-ZDUSSCGKSA-N	-1	3	356.407	2.115	20	30		FEEDHM
Cc1cc(C(=O)N[C@@H]2CCN([O-])C2=O)c2ccc(Br)cc2n1	ZINC000816697069	675073712	/nfs/dbraw/zinc/07/37/12/675073712.db2.gz	QAKHTXCYRRHFKR-GFCCVEGCSA-N	-1	3	364.199	2.026	20	30		FEEDHM
CCS(=O)(=O)N(C)CCC/N=C/c1cc(Br)ccc1[O-]	ZINC000031643597	670123496	/nfs/dbraw/zinc/12/34/96/670123496.db2.gz	JEJMYCZPUQBWEL-XNTDXEJSSA-N	-1	3	363.277	2.245	20	30		FEEDHM
CCOC(=O)Nc1ccc([N-]S(=O)(=O)C[C@@H](CC)OC)cc1C#N	ZINC000817356478	675124653	/nfs/dbraw/zinc/12/46/53/675124653.db2.gz	MHQKHTSPWXSJFK-CYBMUJFWSA-N	-1	3	355.416	2.293	20	30		FEEDHM
COC(=O)c1ccc(CS(=O)(=O)[N-][C@@H](C#N)C2CCCCC2)cc1	ZINC000572450333	671002808	/nfs/dbraw/zinc/00/28/08/671002808.db2.gz	HILOPYMNMIFUPY-INIZCTEOSA-N	-1	3	350.440	2.365	20	30		FEEDHM
C=CCNC(=O)c1cccc(S(=O)(=O)[N-][C@@H](C2CC2)C(F)(F)F)c1	ZINC000565914588	675160763	/nfs/dbraw/zinc/16/07/63/675160763.db2.gz	MGYAEVUCAZFPBQ-ZDUSSCGKSA-N	-1	3	362.373	2.222	20	30		FEEDHM
CC(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@](C)(C#N)C(C)C)ccc1F	ZINC000126501982	672025434	/nfs/dbraw/zinc/02/54/34/672025434.db2.gz	GVVLDAWCTLUQHJ-MRXNPFEDSA-N	-1	3	355.435	2.180	20	30		FEEDHM
C/C=C\C[C@@H]([N-]S(=O)(=O)Cc1ccc(CC#N)cc1)C(=O)OCC	ZINC000583260641	672079001	/nfs/dbraw/zinc/07/90/01/672079001.db2.gz	VLLZENUVSVALDQ-OICCZTGUSA-N	-1	3	350.440	2.070	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)c2ncccc2F)ccc1F	ZINC000131778934	672091710	/nfs/dbraw/zinc/09/17/10/672091710.db2.gz	RDKKBJALVBPEIK-UHFFFAOYSA-N	-1	3	367.377	2.101	20	30		FEEDHM
C#C[C@H](OC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)C1CC1	ZINC000152470613	672182309	/nfs/dbraw/zinc/18/23/09/672182309.db2.gz	NZBVTOQIUAKUJH-AWEZNQCLSA-N	-1	3	353.415	2.471	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)NC[C@@]2(C)CCCS2)ccc1F	ZINC000154020487	672208937	/nfs/dbraw/zinc/20/89/37/672208937.db2.gz	DIYZZGBWSZCUHI-MRXNPFEDSA-N	-1	3	372.487	2.306	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)NCC2(C(C)C)CC2)ccc1F	ZINC000177402845	672382478	/nfs/dbraw/zinc/38/24/78/672382478.db2.gz	HHGNPRNNSTZBBI-UHFFFAOYSA-N	-1	3	354.447	2.456	20	30		FEEDHM
CCN(C[C@@H](C)C#N)S(=O)(=O)[N-][C@H](Cc1ccccc1)c1ncco1	ZINC000594487459	673090974	/nfs/dbraw/zinc/09/09/74/673090974.db2.gz	IREGJDFJNNXGCE-GOEBONIOSA-N	-1	3	362.455	2.274	20	30		FEEDHM
CC(C)N(CCC#N)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1	ZINC000726532193	673128272	/nfs/dbraw/zinc/12/82/72/673128272.db2.gz	AOOZPWREHXZQMY-UHFFFAOYSA-N	-1	3	353.419	2.031	20	30		FEEDHM
COC(=O)c1cc(S(=O)(=O)[N-]C(C)(C)c2cccc(C#N)c2)oc1C	ZINC000594813177	673150803	/nfs/dbraw/zinc/15/08/03/673150803.db2.gz	NRTLNHPURMBTCU-UHFFFAOYSA-N	-1	3	362.407	2.460	20	30		FEEDHM
COC(=O)[C@@]1([N-]S(=O)(=O)Cc2ccc(CC#N)cc2)CC[C@@H](C)CC1	ZINC000594833237	673156594	/nfs/dbraw/zinc/15/65/94/673156594.db2.gz	ZTTKLQHIGABGQP-PPUGGXLSSA-N	-1	3	364.467	2.294	20	30		FEEDHM
CCn1c(C)cc(C=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)c1C	ZINC000728226443	673196314	/nfs/dbraw/zinc/19/63/14/673196314.db2.gz	PAFCRJXXIWQAFV-UHFFFAOYSA-N	-1	3	364.427	2.487	20	30		FEEDHM
C[C@@](C#N)(NC(=O)COC(=O)c1cccc(Br)c1[O-])C1CC1	ZINC000730363698	673277997	/nfs/dbraw/zinc/27/79/97/673277997.db2.gz	CXYCCJCIUSUCFQ-HNNXBMFYSA-N	-1	3	367.199	2.120	20	30		FEEDHM
CC(C)[C@@](C)(C#N)NC(=O)COC(=O)c1cccc(Br)c1[O-]	ZINC000730364463	673278001	/nfs/dbraw/zinc/27/80/01/673278001.db2.gz	GJUUHXOWLFEZEF-OAHLLOKOSA-N	-1	3	369.215	2.366	20	30		FEEDHM
C=C(C)CN(CC)C(=O)C[C@@H](C)[N-]S(=O)(=O)c1cccnc1Cl	ZINC000731894840	673346689	/nfs/dbraw/zinc/34/66/89/673346689.db2.gz	AZEVGALVDVLVIC-GFCCVEGCSA-N	-1	3	359.879	2.217	20	30		FEEDHM
C=C(Cl)C[N-]S(=O)(=O)c1cc(C(=O)OC)ccc1Br	ZINC000736342095	673520968	/nfs/dbraw/zinc/52/09/68/673520968.db2.gz	LKKCTTUJFWSJJG-UHFFFAOYSA-N	-1	3	368.636	2.267	20	30		FEEDHM
C=C(Cl)CNS(=O)(=O)c1ccc([N-]S(=O)(=O)CCCC)cc1	ZINC000738380427	673619946	/nfs/dbraw/zinc/61/99/46/673619946.db2.gz	HOHAYFAIHBFSFQ-UHFFFAOYSA-N	-1	3	366.892	2.259	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C[C@@H](C)OC)C(C)C)ccc1F	ZINC000740803459	673655051	/nfs/dbraw/zinc/65/50/51/673655051.db2.gz	QIAVTHNDGKAXBJ-CYBMUJFWSA-N	-1	3	372.462	2.176	20	30		FEEDHM
N#CC1(C[N-]S(=O)(=O)Cc2ncsc2Br)CCCC1	ZINC000601453403	673864756	/nfs/dbraw/zinc/86/47/56/673864756.db2.gz	JNKJZGQQVYHNRZ-UHFFFAOYSA-N	-1	3	364.290	2.409	20	30		FEEDHM
CC(C)(C(=O)N[C@H]1CCN([O-])C1=O)[C@@H](O)c1cc(Cl)cc(Cl)c1	ZINC000820127677	675337867	/nfs/dbraw/zinc/33/78/67/675337867.db2.gz	ONFMQXGNTJYZPH-RYUDHWBXSA-N	-1	3	361.225	2.159	20	30		FEEDHM
C[C@H](CC(=O)N[C@@H]1CCN([O-])C1=O)c1ccc(F)c(Br)c1	ZINC000820137041	675338790	/nfs/dbraw/zinc/33/87/90/675338790.db2.gz	JUJVFSUQEXRYQY-PRHODGIISA-N	-1	3	359.195	2.188	20	30		FEEDHM
CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)N[C@H]2CCN([O-])C2=O)c1	ZINC000820149167	675339397	/nfs/dbraw/zinc/33/93/97/675339397.db2.gz	MIYGOCJOOQRTMI-ZDUSSCGKSA-N	-1	3	353.806	2.045	20	30		FEEDHM
N#Cc1ccccc1Sc1ccccc1C(=O)N[C@@H]1CCN([O-])C1=O	ZINC000820178973	675341598	/nfs/dbraw/zinc/34/15/98/675341598.db2.gz	CNLSUZRFDBYVHX-CQSZACIVSA-N	-1	3	353.403	2.429	20	30		FEEDHM
O=C(CCSc1ccccc1Br)N[C@@H]1CCCN([O-])C1=O	ZINC000820471538	675364420	/nfs/dbraw/zinc/36/44/20/675364420.db2.gz	YUNYMPRZXJPNEX-LLVKDONJSA-N	-1	3	373.272	2.428	20	30		FEEDHM
C=CCCC[C@@H](C)NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl	ZINC000823894177	675576048	/nfs/dbraw/zinc/57/60/48/675576048.db2.gz	JHZYYBBOLMKHBA-SNVBAGLBSA-N	-1	3	362.821	2.320	20	30		FEEDHM
C=CCCC[C@@H](C)NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl	ZINC000823894177	675576050	/nfs/dbraw/zinc/57/60/50/675576050.db2.gz	JHZYYBBOLMKHBA-SNVBAGLBSA-N	-1	3	362.821	2.320	20	30		FEEDHM
C=CCCC[C@H](C)NC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl	ZINC000823894471	675576078	/nfs/dbraw/zinc/57/60/78/675576078.db2.gz	QYCVWVKEQSQYIF-JTQLQIEISA-N	-1	3	362.821	2.320	20	30		FEEDHM
C=CCCC[C@H](C)NC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl	ZINC000823894471	675576080	/nfs/dbraw/zinc/57/60/80/675576080.db2.gz	QYCVWVKEQSQYIF-JTQLQIEISA-N	-1	3	362.821	2.320	20	30		FEEDHM
C[C@@](C#N)(NC(=O)CSc1cccc(Cl)c1-c1nnn[n-]1)C1CC1	ZINC000824035216	675581038	/nfs/dbraw/zinc/58/10/38/675581038.db2.gz	UKXLXDSZWMRKSK-HNNXBMFYSA-N	-1	3	362.846	2.421	20	30		FEEDHM
C[C@@](C#N)(NC(=O)CSc1cccc(Cl)c1-c1nn[n-]n1)C1CC1	ZINC000824035216	675581039	/nfs/dbraw/zinc/58/10/39/675581039.db2.gz	UKXLXDSZWMRKSK-HNNXBMFYSA-N	-1	3	362.846	2.421	20	30		FEEDHM
N#Cc1ncn(Cc2coc(-c3cccc(Cl)c3)n2)c1-c1nnn[n-]1	ZINC000826388144	675687621	/nfs/dbraw/zinc/68/76/21/675687621.db2.gz	KAPQRLVAVFUOHM-UHFFFAOYSA-N	-1	3	352.745	2.292	20	30		FEEDHM
N#Cc1cccc(CC[N-]S(=O)(=O)c2ccc(Br)cn2)c1	ZINC000619597592	676387198	/nfs/dbraw/zinc/38/71/98/676387198.db2.gz	HLLDITJXHRUOBY-UHFFFAOYSA-N	-1	3	366.240	2.237	20	30		FEEDHM
C=CCOc1cccc([N-]S(=O)(=O)C[C@@H](OC)C2CCOCC2)c1	ZINC000645639280	677266873	/nfs/dbraw/zinc/26/68/73/677266873.db2.gz	HHQFMALFZCVPPE-QGZVFWFLSA-N	-1	3	355.456	2.435	20	30		FEEDHM
CC#CC[C@@H](CO)[N-]S(=O)(=O)c1cc(Cl)ccc1Br	ZINC000645884380	677274168	/nfs/dbraw/zinc/27/41/68/677274168.db2.gz	DCAPZEXDSNQXMT-JTQLQIEISA-N	-1	3	366.664	2.155	20	30		FEEDHM
C#CCOc1ccccc1[C@H](C)OC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C	ZINC000764637948	680817508	/nfs/dbraw/zinc/81/75/08/680817508.db2.gz	FMKJNDYHVRRDSQ-XJKSGUPXSA-N	-1	3	367.467	2.267	20	30		FEEDHM
COC(=O)c1c(F)ccc(S(=O)(=O)[N-][C@H]2CC[C@@H](CC#N)C2)c1F	ZINC000831993434	680072200	/nfs/dbraw/zinc/07/22/00/680072200.db2.gz	TXNKLNUXLSZKID-UWVGGRQHSA-N	-1	3	358.366	2.112	20	30		FEEDHM
C[C@H](CC(=O)NC1C(C)(C)C1(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000752037184	680219331	/nfs/dbraw/zinc/21/93/31/680219331.db2.gz	BDLCSPOPKYUWBP-LLVKDONJSA-N	-1	3	363.483	2.055	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)OCC[C@@H]2CCCCO2)ccc1F	ZINC000754775787	680377510	/nfs/dbraw/zinc/37/75/10/680377510.db2.gz	TXCSCCYDXLJJAN-AWEZNQCLSA-N	-1	3	371.430	2.406	20	30		FEEDHM
C#CCOCC[N-]S(=O)(=O)c1cccc(Cl)c1Br	ZINC000755133402	680401045	/nfs/dbraw/zinc/40/10/45/680401045.db2.gz	QUOOMFNDNMYZQP-UHFFFAOYSA-N	-1	3	352.637	2.031	20	30		FEEDHM
COc1cc(C=NNC(=S)NC2CCCCC2)c([N+](=O)[O-])cc1[O-]	ZINC000767083259	680898336	/nfs/dbraw/zinc/89/83/36/680898336.db2.gz	NOKYSYMSKGCQBS-UHFFFAOYSA-N	-1	3	352.416	2.440	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CC[C@H]3C[C@H]3C2)ccc1F	ZINC000843741639	681016010	/nfs/dbraw/zinc/01/60/10/681016010.db2.gz	WNZBDNCHVACLQF-FPMFFAJLSA-N	-1	3	352.431	2.208	20	30		FEEDHM
C=CCOC(=O)c1sc2[n-]c(Cc3ccn(CC)n3)nc(=O)c2c1C	ZINC000844268986	681046821	/nfs/dbraw/zinc/04/68/21/681046821.db2.gz	QNIOEKLVAFHOBN-UHFFFAOYSA-N	-1	3	358.423	2.443	20	30		FEEDHM
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)OC(=O)c1ccc(N)c(Cl)c1[O-]	ZINC000845192931	681110180	/nfs/dbraw/zinc/11/01/80/681110180.db2.gz	IIDMDSAUPQJYEJ-JDNHERCYSA-N	-1	3	353.806	2.228	20	30		FEEDHM
COc1cc(C([O-])=C(C#N)C(=O)Nc2ccc(OC)c(Cl)c2)nn1C	ZINC000773980276	681163352	/nfs/dbraw/zinc/16/33/52/681163352.db2.gz	PVWDFFMARKKESI-JTQLQIEISA-N	-1	3	362.773	2.052	20	30		FEEDHM
N#CC1(CNC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)CCCC1	ZINC000846343392	681228625	/nfs/dbraw/zinc/22/86/25/681228625.db2.gz	GRRHMURHULIJMZ-UHFFFAOYSA-N	-1	3	365.430	2.080	20	30		FEEDHM
CC(C)[C@H]1C[C@H]1COC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000774855648	681242594	/nfs/dbraw/zinc/24/25/94/681242594.db2.gz	ZEAOBMHZPWELRE-VNHYZAJKSA-N	-1	3	364.467	2.339	20	30		FEEDHM
O=C(Nc1c(F)ccc(Br)c1F)N[C@@H]1CCCN([O-])C1=O	ZINC000933300689	681390332	/nfs/dbraw/zinc/39/03/32/681390332.db2.gz	BVNZXDZVVARQNY-MRVPVSSYSA-N	-1	3	364.146	2.229	20	30		FEEDHM
C#CCCC[C@H](C)OC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000847863515	681444054	/nfs/dbraw/zinc/44/40/54/681444054.db2.gz	INDRFQKXSSRARP-KGLIPLIRSA-N	-1	3	362.451	2.239	20	30		FEEDHM
C[C@@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)N[C@H]1CCCN([O-])C1=O	ZINC000848131481	681477501	/nfs/dbraw/zinc/47/75/01/681477501.db2.gz	HDJOZQXMDVIBRK-GWCFXTLKSA-N	-1	3	360.332	2.260	20	30		FEEDHM
O=C(CCc1ccc(Br)cc1F)N[C@H]1CCCN([O-])C1=O	ZINC000848138621	681478653	/nfs/dbraw/zinc/47/86/53/681478653.db2.gz	OQGTUVQIDJMXMF-LBPRGKRZSA-N	-1	3	359.195	2.017	20	30		FEEDHM
CC(C)C(C)(C)CNC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000782713141	682076340	/nfs/dbraw/zinc/07/63/40/682076340.db2.gz	YQASRFKWSZGZMQ-CYBMUJFWSA-N	-1	3	365.499	2.302	20	30		FEEDHM
Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H]1CCc2cc(C#N)ccc21	ZINC000785398330	682294511	/nfs/dbraw/zinc/29/45/11/682294511.db2.gz	HUNSALABHHERET-ZDUSSCGKSA-N	-1	3	350.831	2.219	20	30		FEEDHM
[O-]c1cc(Br)ccc1C=NNC(=S)NC[C@@H]1CCCO1	ZINC000853267439	682400163	/nfs/dbraw/zinc/40/01/63/682400163.db2.gz	QCCDYOBWTRITPL-NSHDSACASA-N	-1	3	358.261	2.132	20	30		FEEDHM
C=C(CSc1nc2nc(C)cc(C(=O)OC)c2c(=O)[n-]1)C(=O)OCC	ZINC000788810897	682558299	/nfs/dbraw/zinc/55/82/99/682558299.db2.gz	HWRWKDOESMMDOF-UHFFFAOYSA-N	-1	3	363.395	2.037	20	30		FEEDHM
O=C(N[C@H]1CCCN([O-])C1=O)c1csc(Nc2cc(F)cc(F)c2)n1	ZINC000854649107	682575049	/nfs/dbraw/zinc/57/50/49/682575049.db2.gz	QDNLVFGJWDJOFC-NSHDSACASA-N	-1	3	368.365	2.275	20	30		FEEDHM
CC(C)(Oc1ccc(Br)cc1)C(=O)N[C@H]1CCCN([O-])C1=O	ZINC000854649002	682575226	/nfs/dbraw/zinc/57/52/26/682575226.db2.gz	OAPRSLAYOAKUAN-LBPRGKRZSA-N	-1	3	371.231	2.103	20	30		FEEDHM
COc1cccc(-c2noc([C@H](C)[N-]S(=O)(=O)CC(C)(C)C#N)n2)c1	ZINC000790029817	682649493	/nfs/dbraw/zinc/64/94/93/682649493.db2.gz	RWNMULCONUSKRI-NSHDSACASA-N	-1	3	364.427	2.275	20	30		FEEDHM
C[C@@H]1CCC(=N[N-]S(=O)(=O)CCc2ccccc2)[C@@H](n2cncn2)C1	ZINC000794515800	682974571	/nfs/dbraw/zinc/97/45/71/682974571.db2.gz	NFESWVNHFBSFSV-PBHICJAKSA-N	-1	3	361.471	2.157	20	30		FEEDHM
C#CC[C@H](COC)[N-]S(=O)(=O)c1cc(Cl)ccc1Br	ZINC000859430541	683108951	/nfs/dbraw/zinc/10/89/51/683108951.db2.gz	SHQLRIUGQNKYEY-SNVBAGLBSA-N	-1	3	366.664	2.419	20	30		FEEDHM
C[C@@H](C#N)COC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1	ZINC000796777916	683194983	/nfs/dbraw/zinc/19/49/83/683194983.db2.gz	RMJIJDAMFWJKOU-QMMMGPOBSA-N	-1	3	350.318	2.393	20	30		FEEDHM
C=CC[C@@H](CC)NC(=O)C[C@H](C)[N-]S(=O)(=O)c1cccnc1Cl	ZINC000799035157	683416368	/nfs/dbraw/zinc/41/63/68/683416368.db2.gz	UMKULXLJDQLSOV-NWDGAFQWSA-N	-1	3	359.879	2.263	20	30		FEEDHM
CC[C@@H](C(=O)N[C@@H]1CCCN([O-])C1=O)c1ccc(Br)cc1	ZINC000861827716	683481426	/nfs/dbraw/zinc/48/14/26/683481426.db2.gz	LLUUQPOAFLVOOJ-CHWSQXEVSA-N	-1	3	355.232	2.439	20	30		FEEDHM
C=C[C@H](C)[N-]S(=O)(=O)N=[S@](C)(=O)c1cccc(Br)c1	ZINC000866950104	684185633	/nfs/dbraw/zinc/18/56/33/684185633.db2.gz	XRGAERDPLDLVIV-NIVTXAMTSA-N	-1	3	367.290	2.315	20	30		FEEDHM
C[S@@](=O)(=NS(=O)(=O)[N-][C@H]1CC[C@@H](CC#N)C1)c1ccccc1F	ZINC000867333475	684250909	/nfs/dbraw/zinc/25/09/09/684250909.db2.gz	VPSYSOAPROCUOC-IBILFNBTSA-N	-1	3	359.448	2.199	20	30		FEEDHM
C[C@H](OC(=O)c1cccc2[n-]c(C(F)F)nc21)C(=O)N(C)CCC#N	ZINC000924085028	684401999	/nfs/dbraw/zinc/40/19/99/684401999.db2.gz	YPABPTFLRULCCU-VIFPVBQESA-N	-1	3	350.325	2.418	20	30		FEEDHM
N#Cc1ccc2c(c1)C[C@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)C2	ZINC000867862019	684412642	/nfs/dbraw/zinc/41/26/42/684412642.db2.gz	KXDJCHKEFZPRBG-CYBMUJFWSA-N	-1	3	367.352	2.418	20	30		FEEDHM
N#CC1(C(=O)[N-]N2C(=O)c3ccc(Br)cc3C2=O)CC2(CC2)C1	ZINC000869187859	684591485	/nfs/dbraw/zinc/59/14/85/684591485.db2.gz	SMKQJUICLTXAEK-UHFFFAOYSA-N	-1	3	374.194	2.160	20	30		FEEDHM
CN(C)c1ccc(NC(=O)N[C@H]2CCCN([O-])C2=O)c(C(F)(F)F)c1	ZINC000878216965	686543812	/nfs/dbraw/zinc/54/38/12/686543812.db2.gz	TWTDBQMVXHEOTH-LBPRGKRZSA-N	-1	3	360.336	2.273	20	30		FEEDHM
Cc1cc(N2CCSCC2)ccc1NC(=O)N[C@@H]1CCCN([O-])C1=O	ZINC000878502685	686596725	/nfs/dbraw/zinc/59/67/25/686596725.db2.gz	FVOUGIAHZZRZKE-OAHLLOKOSA-N	-1	3	364.471	2.050	20	30		FEEDHM
O=C(Nc1ccc(OCC(F)(F)F)c(F)c1)N[C@H]1CCCN([O-])C1=O	ZINC000879491630	686835986	/nfs/dbraw/zinc/83/59/86/686835986.db2.gz	JLGUJOUUHBTNMS-JTQLQIEISA-N	-1	3	365.283	2.269	20	30		FEEDHM
C=C(C)C[C@@H]([N-]S(=O)(=O)CC[C@@H]1CC1(Cl)Cl)C(=O)OCC	ZINC000882645109	687425967	/nfs/dbraw/zinc/42/59/67/687425967.db2.gz	KNXJJLXRSJSYEF-GHMZBOCLSA-N	-1	3	358.287	2.388	20	30		FEEDHM
C=CCSc1ccccc1C(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1	ZINC000890535353	688934729	/nfs/dbraw/zinc/93/47/29/688934729.db2.gz	QBVHAQUMXCNJAT-ZDUSSCGKSA-N	-1	3	356.451	2.469	20	30		FEEDHM
CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NC/C=C\Cl	ZINC000891217935	689033937	/nfs/dbraw/zinc/03/39/37/689033937.db2.gz	RXFQHTFLEUYOJG-UJZCVKTISA-N	-1	3	369.874	2.009	20	30		FEEDHM
Cc1nc(Br)c(C=Nn2c(=S)[n-]nc2C(F)(F)F)[nH]1	ZINC000901134750	690616741	/nfs/dbraw/zinc/61/67/41/690616741.db2.gz	ZRPZBKOPXMCVFT-UHFFFAOYSA-N	-1	3	355.143	2.262	20	30		FEEDHM
CCCC(C#N)(CCC)[N-]S(=O)(=O)c1cnn(C)c1Br	ZINC000903102794	690844317	/nfs/dbraw/zinc/84/43/17/690844317.db2.gz	UFJILTGSKDDQER-UHFFFAOYSA-N	-1	3	363.281	2.323	20	30		FEEDHM
CCCCN([O-])C(=O)C1(c2ccccc2)CCN(S(=O)(=O)CC)CC1	ZINC000904208739	691013412	/nfs/dbraw/zinc/01/34/12/691013412.db2.gz	JJTWWBJYZXKBGL-UHFFFAOYSA-N	-1	3	368.499	2.388	20	30		FEEDHM
C=C(C)CN1CCC(NC(=O)N[C@@]2(C(=O)[O-])CCc3ccccc32)CC1	ZINC000908945306	939360491	/nfs/dbraw/zinc/36/04/91/939360491.db2.gz	GCLFWIGVSMXXNU-FQEVSTJZSA-N	-1	3	357.454	2.252	20	30		FEEDHM
O=C(CCCOc1cccc(Br)c1)N[C@H]1CCCN([O-])C1=O	ZINC000820482012	675365315	/nfs/dbraw/zinc/36/53/15/675365315.db2.gz	CEJUWJQMKBYASL-ZDUSSCGKSA-N	-1	3	371.231	2.105	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)NCc2ccc(C#N)cc2)ccc1F	ZINC000045419347	210047201	/nfs/dbraw/zinc/04/72/01/210047201.db2.gz	KCWAHJHXNYQNJM-UHFFFAOYSA-N	-1	3	373.409	2.092	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCN(C)c1ccccc1	ZINC000012612471	539568019	/nfs/dbraw/zinc/56/80/19/539568019.db2.gz	PNUCIRBPFRRLBM-UHFFFAOYSA-N	-1	3	352.438	2.049	20	30		FEEDHM
N#CC(=C([O-])c1ccccc1OCC(N)=O)c1ccc(C(F)(F)F)cn1	ZINC000041553049	540024814	/nfs/dbraw/zinc/02/48/14/540024814.db2.gz	YYXXUJUEXZDPCY-GFCCVEGCSA-N	-1	3	363.295	2.455	20	30		FEEDHM
N#Cc1ccc(CN2CCN(C(=O)c3c[n-]c4ccccc4c3=O)CC2)cc1	ZINC000046017571	540237073	/nfs/dbraw/zinc/23/70/73/540237073.db2.gz	ASJPFKJENHUJRX-UHFFFAOYSA-N	-1	3	372.428	2.358	20	30		FEEDHM
N#Cc1ccccc1Oc1ccc(NC(=O)CC[C@@H]2NC(=O)[N-]C2=O)cc1	ZINC000056248436	540713630	/nfs/dbraw/zinc/71/36/30/540713630.db2.gz	PFJQBCSEHGFGOA-HNNXBMFYSA-N	-1	3	364.361	2.277	20	30		FEEDHM
C[C@@H](NC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1)c1ccc(C#N)cc1	ZINC000056752279	540742808	/nfs/dbraw/zinc/74/28/08/540742808.db2.gz	RYNHUYXJPADNRG-NEPJUHHUSA-N	-1	3	363.464	2.164	20	30		FEEDHM
N#CCN(CC#N)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1	ZINC000060332095	541105671	/nfs/dbraw/zinc/10/56/71/541105671.db2.gz	OYHNPGPFMXMIRW-UHFFFAOYSA-N	-1	3	372.381	2.116	20	30		FEEDHM
C[C@]1(c2ccc(CNc3ccc(Cl)c(C#N)n3)cc2)NC(=O)[N-]C1=O	ZINC000067371176	541451198	/nfs/dbraw/zinc/45/11/98/541451198.db2.gz	DMAXTIAUDCQZMB-QGZVFWFLSA-N	-1	3	355.785	2.273	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1ccc(OCC#N)cc1	ZINC000067929429	541529622	/nfs/dbraw/zinc/52/96/22/541529622.db2.gz	HVIJQZAGUNDYQZ-UHFFFAOYSA-N	-1	3	364.405	2.015	20	30		FEEDHM
N#Cc1cc(C#N)c(SCc2noc(-c3ccccc3[O-])n2)nc1N	ZINC000076695672	542312972	/nfs/dbraw/zinc/31/29/72/542312972.db2.gz	KGHKWOHEEDAATI-UHFFFAOYSA-N	-1	3	350.363	2.455	20	30		FEEDHM
COc1ccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c([N+](=O)[O-])c1	ZINC000115178913	543553872	/nfs/dbraw/zinc/55/38/72/543553872.db2.gz	QSBGXDJRWYUDAZ-UHFFFAOYSA-N	-1	3	370.365	2.352	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1ccc(N(C)C)c(F)c1	ZINC000116150885	543600970	/nfs/dbraw/zinc/60/09/70/543600970.db2.gz	ZKPJYXNZHDSSCM-UHFFFAOYSA-N	-1	3	370.428	2.318	20	30		FEEDHM
Cc1cccc(NCC[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)n1	ZINC000124304700	543812633	/nfs/dbraw/zinc/81/26/33/543812633.db2.gz	GRYGZSIBKPTHRV-UHFFFAOYSA-N	-1	3	350.831	2.306	20	30		FEEDHM
CC(C)([N-]S(=O)(=O)c1ccccc1C#N)c1cn(-c2ccccc2)nn1	ZINC000126138200	543920131	/nfs/dbraw/zinc/92/01/31/543920131.db2.gz	PUUPTQSVRDBRSD-UHFFFAOYSA-N	-1	3	367.434	2.353	20	30		FEEDHM
COc1ccc(CN2CCN(C(=O)c3cccc([O-])c3)CC2)cc1C#N	ZINC000135197199	544338143	/nfs/dbraw/zinc/33/81/43/544338143.db2.gz	BMGIILFRMXIFKB-UHFFFAOYSA-N	-1	3	351.406	2.230	20	30		FEEDHM
CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2F)cc1	ZINC000135370803	544344090	/nfs/dbraw/zinc/34/40/90/544344090.db2.gz	YEGNFXXUDWFKEJ-UHFFFAOYSA-N	-1	3	361.398	2.177	20	30		FEEDHM
CC[C@@H](C)[N-]C(=S)C(C(=O)c1cnn(C)c1)[n+]1cc([O-])cc(Cl)c1	ZINC000151932402	544597558	/nfs/dbraw/zinc/59/75/58/544597558.db2.gz	SGCWWNDXWSENQY-SNVBAGLBSA-O	-1	3	367.882	2.394	20	30		FEEDHM
CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)CCCC#N	ZINC000152144343	544618155	/nfs/dbraw/zinc/61/81/55/544618155.db2.gz	ZCWTVOCORBAUCQ-OAHLLOKOSA-N	-1	3	352.456	2.163	20	30		FEEDHM
Cc1cccc2[nH]c(CNC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)nc21	ZINC000154923707	544966533	/nfs/dbraw/zinc/96/65/33/544966533.db2.gz	KGLFCZUEWDSGNE-UHFFFAOYSA-N	-1	3	363.421	2.297	20	30		FEEDHM
Cc1cccc2nc(CNC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)[nH]c21	ZINC000154923707	544966540	/nfs/dbraw/zinc/96/65/40/544966540.db2.gz	KGLFCZUEWDSGNE-UHFFFAOYSA-N	-1	3	363.421	2.297	20	30		FEEDHM
COC(=O)C1(CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)CCCCC1	ZINC000184657107	327877560	/nfs/dbraw/zinc/87/75/60/327877560.db2.gz	UHCNCRKXSSGBPU-UHFFFAOYSA-N	-1	3	373.453	2.036	20	30		FEEDHM
Cc1cccc(C[C@H](CO)[N-]S(=O)(=O)c2cccc(Cl)c2C#N)c1	ZINC000188391023	328084229	/nfs/dbraw/zinc/08/42/29/328084229.db2.gz	JRDVGTWFUBYXMM-CQSZACIVSA-N	-1	3	364.854	2.402	20	30		FEEDHM
CCc1ccc([O-])c(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1	ZINC000191083144	328249168	/nfs/dbraw/zinc/24/91/68/328249168.db2.gz	CERZADPQQMNWPP-SFHVURJKSA-N	-1	3	363.417	2.357	20	30		FEEDHM
CN(C(=O)CC[N-]S(=O)(=O)c1ccccc1F)c1cccc(C#N)c1	ZINC000120581614	326270175	/nfs/dbraw/zinc/27/01/75/326270175.db2.gz	ZRDLZSMZDSQXQP-UHFFFAOYSA-N	-1	3	361.398	2.029	20	30		FEEDHM
Cc1sc(S(=O)(=O)[N-]Cc2cc(C#N)ccc2F)cc1[N+](=O)[O-]	ZINC000124767464	326459803	/nfs/dbraw/zinc/45/98/03/326459803.db2.gz	FVMYHOGMUGDVMZ-UHFFFAOYSA-N	-1	3	355.372	2.454	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](CCO)C1CCCCC1	ZINC000151258097	326678174	/nfs/dbraw/zinc/67/81/74/326678174.db2.gz	RMIPPNHQZMSIKB-GOSISDBHSA-N	-1	3	359.470	2.244	20	30		FEEDHM
COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1ccc(C#N)cc1	ZINC000158729886	326905906	/nfs/dbraw/zinc/90/59/06/326905906.db2.gz	MXCIBRVILQZSKA-UHFFFAOYSA-N	-1	3	364.810	2.477	20	30		FEEDHM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H](CCO)C1CCCCC1	ZINC000161981014	327013975	/nfs/dbraw/zinc/01/39/75/327013975.db2.gz	GNXDXAGHTUFHSL-CQSZACIVSA-N	-1	3	367.427	2.076	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)[C@H]1COc2ccccc21	ZINC000167592259	327085299	/nfs/dbraw/zinc/08/52/99/327085299.db2.gz	FEQSPNCMNICLRZ-SMDDNHRTSA-N	-1	3	373.390	2.309	20	30		FEEDHM
CC[C@]([N-]S(=O)(=O)Cc1cccc(C#N)c1)(C(=O)OC)c1ccccc1	ZINC000264533881	329033623	/nfs/dbraw/zinc/03/36/23/329033623.db2.gz	YMWWCBYNMWYBBJ-LJQANCHMSA-N	-1	3	372.446	2.456	20	30		FEEDHM
COC(=O)c1ccnc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1	ZINC000265078659	329088551	/nfs/dbraw/zinc/08/85/51/329088551.db2.gz	AFZLZPDIVQISQN-UHFFFAOYSA-N	-1	3	354.366	2.029	20	30		FEEDHM
N#Cc1ccc(NC(=O)C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)cc1Cl	ZINC000472994362	538729810	/nfs/dbraw/zinc/72/98/10/538729810.db2.gz	PJVDLGPOXFASKC-ZDUSSCGKSA-N	-1	3	359.773	2.363	20	30		FEEDHM
N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]Cc1ccc(-n2cncn2)cc1	ZINC000156540790	545634028	/nfs/dbraw/zinc/63/40/28/545634028.db2.gz	LUWFISLSHBPUTR-UHFFFAOYSA-N	-1	3	373.825	2.271	20	30		FEEDHM
CN(C)C(=O)C1(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)CCCC1	ZINC000157549636	545752441	/nfs/dbraw/zinc/75/24/41/545752441.db2.gz	VATDNRSBJFAQTG-UHFFFAOYSA-N	-1	3	369.874	2.139	20	30		FEEDHM
N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]Cc1cccc(-c2nc[nH]n2)c1	ZINC000157605003	545759688	/nfs/dbraw/zinc/75/96/88/545759688.db2.gz	WYDLWTGQKJCTJS-UHFFFAOYSA-N	-1	3	373.825	2.475	20	30		FEEDHM
C=C(C)CNC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCCO2)c1	ZINC000161053158	546096021	/nfs/dbraw/zinc/09/60/21/546096021.db2.gz	KLNXCPNWKDGVLU-CYBMUJFWSA-N	-1	3	372.874	2.103	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H]1CCCO[C@@H]1C(C)C	ZINC000177964305	546714114	/nfs/dbraw/zinc/71/41/14/546714114.db2.gz	OZDYCUAZGWYPDV-DNVCBOLYSA-N	-1	3	359.470	2.363	20	30		FEEDHM
CC(C)(C)CNC(=O)C(C)(C)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl	ZINC000180184735	547064525	/nfs/dbraw/zinc/06/45/25/547064525.db2.gz	JMGTYUARAPXLGH-UHFFFAOYSA-N	-1	3	371.890	2.431	20	30		FEEDHM
Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N(C)CCC#N)cs2)c1	ZINC000183478831	547668008	/nfs/dbraw/zinc/66/80/08/547668008.db2.gz	WZBFMRRPCCMCOL-UHFFFAOYSA-N	-1	3	358.423	2.324	20	30		FEEDHM
CC[C@@H](C#N)NC(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1	ZINC000183649219	547695452	/nfs/dbraw/zinc/69/54/52/547695452.db2.gz	ANPGYBYNILYKTB-NSHDSACASA-N	-1	3	358.423	2.370	20	30		FEEDHM
CN(C)C(=O)COc1ccc(C(F)(F)C(=O)[N-]C2(C#N)CCCC2)cc1	ZINC000186602607	548157955	/nfs/dbraw/zinc/15/79/55/548157955.db2.gz	PKKCFKBINZFVPS-UHFFFAOYSA-N	-1	3	365.380	2.198	20	30		FEEDHM
N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H]1[C@H]2CCO[C@H]2C12CCC2	ZINC000245555679	548945957	/nfs/dbraw/zinc/94/59/57/548945957.db2.gz	RQNCHVNLBWKHBF-VCTAVGKDSA-N	-1	3	352.843	2.448	20	30		FEEDHM
COc1cccc(C(F)(F)C[N-]S(=O)(=O)c2ccc(C#N)c(F)c2)n1	ZINC000489836148	561420251	/nfs/dbraw/zinc/42/02/51/561420251.db2.gz	GKLSXAGFCMVDGJ-UHFFFAOYSA-N	-1	3	371.340	2.171	20	30		FEEDHM
C=C(Cl)C[N-]S(=O)(=O)c1ccc(CCNC(=O)CC(C)C)s1	ZINC000271225229	550355105	/nfs/dbraw/zinc/35/51/05/550355105.db2.gz	QPPURISHUJJRSL-UHFFFAOYSA-N	-1	3	364.920	2.484	20	30		FEEDHM
Cc1cccc(Cn2[n-]cc/c2=N\C(=O)CN2CCC(C)(C#N)CC2)c1	ZINC000272490705	550452927	/nfs/dbraw/zinc/45/29/27/550452927.db2.gz	CFESTMDTERVXJO-PTGBLXJZSA-N	-1	3	351.454	2.226	20	30		FEEDHM
CCN(CC#N)C(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1	ZINC000274284388	550531268	/nfs/dbraw/zinc/53/12/68/550531268.db2.gz	YZWGHQGKRZUPQD-UHFFFAOYSA-N	-1	3	358.423	2.324	20	30		FEEDHM
CCOC(=O)c1nnc(C2CCN(C(=O)C3(C#N)CCCCC3)CC2)[n-]1	ZINC000277587526	550688388	/nfs/dbraw/zinc/68/83/88/550688388.db2.gz	CXRBUSNWBKOTRK-UHFFFAOYSA-N	-1	3	359.430	2.161	20	30		FEEDHM
CCOC(=O)c1nc(C2CCN(C(=O)C3(C#N)CCCCC3)CC2)n[n-]1	ZINC000277587526	550688390	/nfs/dbraw/zinc/68/83/90/550688390.db2.gz	CXRBUSNWBKOTRK-UHFFFAOYSA-N	-1	3	359.430	2.161	20	30		FEEDHM
C=C(C)CS(=O)(=O)[N-][C@@H](C(=O)OC)c1ccc(Br)cc1	ZINC000280503715	551001085	/nfs/dbraw/zinc/00/10/85/551001085.db2.gz	CYXDZGLUPONXKZ-GFCCVEGCSA-N	-1	3	362.245	2.159	20	30		FEEDHM
C=CC[C@H](CC)[N-]S(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl	ZINC000281454262	551099251	/nfs/dbraw/zinc/09/92/51/551099251.db2.gz	IBGBIDHSBNTLLC-QMMMGPOBSA-N	-1	3	357.906	2.438	20	30		FEEDHM
CCCCCCCS(=O)(=O)NCc1ccc(S(=O)(=O)[N-]C)s1	ZINC000281648525	551125443	/nfs/dbraw/zinc/12/54/43/551125443.db2.gz	BEXWGAQUYKXUQE-UHFFFAOYSA-N	-1	3	368.546	2.046	20	30		FEEDHM
C=CC[C@@H](CO)[N-]S(=O)(=O)c1cc(Cl)ccc1Br	ZINC000281726691	551135511	/nfs/dbraw/zinc/13/55/11/551135511.db2.gz	QVJCRLNXTLSPNX-VIFPVBQESA-N	-1	3	354.653	2.318	20	30		FEEDHM
C[C@H](CC#N)N(C)S(=O)(=O)[N-][C@H](c1nccs1)c1ccccc1	ZINC000283067975	551306567	/nfs/dbraw/zinc/30/65/67/551306567.db2.gz	UOKLPQRZXNDFEE-OCCSQVGLSA-N	-1	3	350.469	2.301	20	30		FEEDHM
CCOC(=O)c1cc(S(=O)(=O)[N-][C@](C)(C#N)CSC)c(F)cc1C	ZINC000285201717	551720023	/nfs/dbraw/zinc/72/00/23/551720023.db2.gz	WLYVNIVFPHQZJF-OAHLLOKOSA-N	-1	3	374.459	2.234	20	30		FEEDHM
Cc1cc(N2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)nn1CCC#N	ZINC000286016585	551838565	/nfs/dbraw/zinc/83/85/65/551838565.db2.gz	MSRNZUMWOQSZPN-UHFFFAOYSA-N	-1	3	373.800	2.433	20	30		FEEDHM
C=C[C@@](C)(CCOC)c1nc(-c2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)no1	ZINC000290210289	552442657	/nfs/dbraw/zinc/44/26/57/552442657.db2.gz	OOXQYZHJEXVTIL-RBUKOAKNSA-N	-1	3	370.409	2.271	20	30		FEEDHM
C=C[C@](C)(CCOC)c1nc(-c2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)no1	ZINC000290210292	552442909	/nfs/dbraw/zinc/44/29/09/552442909.db2.gz	OOXQYZHJEXVTIL-RTBURBONSA-N	-1	3	370.409	2.271	20	30		FEEDHM
C=C(C)Cn1c(C2CC2)nnc1N1CCN(C(=O)c2ccc([O-])cc2)CC1	ZINC000291105388	552587100	/nfs/dbraw/zinc/58/71/00/552587100.db2.gz	ULQYDCUPNOZUDK-UHFFFAOYSA-N	-1	3	367.453	2.400	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@](CO)(C(C)C)C1	ZINC000294754557	552931848	/nfs/dbraw/zinc/93/18/48/552931848.db2.gz	MWLBQUJABGSZLF-FQEVSTJZSA-N	-1	3	359.470	2.465	20	30		FEEDHM
CC(C)(CO)CC[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000295352665	552992233	/nfs/dbraw/zinc/99/22/33/552992233.db2.gz	RLZDKHKNRPNGMS-UHFFFAOYSA-N	-1	3	350.362	2.264	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@](C)(F)C2)ccc1F	ZINC000295527251	553021139	/nfs/dbraw/zinc/02/11/39/553021139.db2.gz	BKMNAURIZNTBBA-INIZCTEOSA-N	-1	3	358.410	2.254	20	30		FEEDHM
C[C@@H](CCO)CC[N-]S(=O)(=O)c1cccc(Br)c1C#N	ZINC000296228104	553125813	/nfs/dbraw/zinc/12/58/13/553125813.db2.gz	OEQRKFAFJHANRF-SNVBAGLBSA-N	-1	3	361.261	2.008	20	30		FEEDHM
CS(=O)(=O)[N-]c1cncc(C(=O)N[C@H](C#N)c2ccc(Cl)cc2)c1	ZINC000503262988	561638362	/nfs/dbraw/zinc/63/83/62/561638362.db2.gz	AKQZHRCKQYIZKA-CQSZACIVSA-N	-1	3	364.814	2.101	20	30		FEEDHM
Cc1[n-][nH]c(=NC(=O)[C@@H]2CN(Cc3ccccc3)C[C@]23CCOC3)c1C#N	ZINC000602191794	553536466	/nfs/dbraw/zinc/53/64/66/553536466.db2.gz	ZWAXZNMSYNTEJR-PXNSSMCTSA-N	-1	3	365.437	2.067	20	30		FEEDHM
COc1ccc([C@H](C/N=C/c2c([O-])c(C)ncc2CO)N(C)C)cc1OC	ZINC000299505536	553573027	/nfs/dbraw/zinc/57/30/27/553573027.db2.gz	VHSMRJKXYOHMLF-GVLJNOETSA-N	-1	3	373.453	2.327	20	30		FEEDHM
N#Cc1ccc(N2CCC[C@H]([N-]S(=O)(=O)C3CCCCC3)C2=O)cc1	ZINC000329513830	553960673	/nfs/dbraw/zinc/96/06/73/553960673.db2.gz	NXGHWXBHPFEVNZ-KRWDZBQOSA-N	-1	3	361.467	2.306	20	30		FEEDHM
Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)N[C@@H]2CCCOC2)CCCC1	ZINC000329885567	554024692	/nfs/dbraw/zinc/02/46/92/554024692.db2.gz	UVMNBVHNPJSRKF-CYBMUJFWSA-N	-1	3	371.459	2.018	20	30		FEEDHM
CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)[N-][C@]1(C#N)CCC[C@H](C)C1	ZINC000330321088	554105163	/nfs/dbraw/zinc/10/51/63/554105163.db2.gz	SAEZZKQRWZFJMF-USXIJHARSA-N	-1	3	355.504	2.169	20	30		FEEDHM
N#Cc1c(Br)cccc1S(=O)(=O)[N-]C[C@@H]1CCCCO1	ZINC000330659676	554152119	/nfs/dbraw/zinc/15/21/19/554152119.db2.gz	AYYDMZRLUJUNMF-JTQLQIEISA-N	-1	3	359.245	2.168	20	30		FEEDHM
C=C(C)CN(CC)C(=O)C1([N-]S(=O)(=O)c2c(C)noc2C)CCCC1	ZINC000330911956	554187282	/nfs/dbraw/zinc/18/72/82/554187282.db2.gz	ZIKFNKUEJXFRDB-UHFFFAOYSA-N	-1	3	369.487	2.307	20	30		FEEDHM
N#Cc1cccc(CNCC[N-]S(=O)(=O)c2ccc(F)cc2Cl)c1	ZINC000509399640	561797590	/nfs/dbraw/zinc/79/75/90/561797590.db2.gz	AJVJAPNJMBIFGU-UHFFFAOYSA-N	-1	3	367.833	2.419	20	30		FEEDHM
N#Cc1ccc(CNCC[N-]S(=O)(=O)c2ccc(F)cc2Cl)o1	ZINC000509405453	561798125	/nfs/dbraw/zinc/79/81/25/561798125.db2.gz	SXGKXENZUWNEQQ-UHFFFAOYSA-N	-1	3	357.794	2.012	20	30		FEEDHM
C[C@@H]1C[C@H](NC(=O)N=c2[n-]n(C)cc2C#N)CCN1Cc1ccccc1	ZINC000610572108	554531770	/nfs/dbraw/zinc/53/17/70/554531770.db2.gz	CCTDQOKPANOKDJ-RHSMWYFYSA-N	-1	3	352.442	2.466	20	30		FEEDHM
N#CCC1(CS(=O)(=O)[N-][C@H]2CCN(c3cccc(Cl)c3)C2=O)CC1	ZINC000333146779	554579663	/nfs/dbraw/zinc/57/96/63/554579663.db2.gz	ABHJNSFHWRSHNT-AWEZNQCLSA-N	-1	3	367.858	2.059	20	30		FEEDHM
Cc1oc(C#N)cc1-c1nc(-c2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)no1	ZINC000349901802	554748702	/nfs/dbraw/zinc/74/87/02/554748702.db2.gz	ZBYPXJGXLMMFLH-GOSISDBHSA-N	-1	3	363.333	2.231	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(-c2nc(-c3cscn3)no2)ccc1F	ZINC000350557688	554797847	/nfs/dbraw/zinc/79/78/47/554797847.db2.gz	WZPWTTCBIORHKZ-UHFFFAOYSA-N	-1	3	366.399	2.464	20	30		FEEDHM
CC(C)(CCC#N)CNC(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1	ZINC000513108417	561925694	/nfs/dbraw/zinc/92/56/94/561925694.db2.gz	NWVMUPIDHNMZHN-UHFFFAOYSA-N	-1	3	358.442	2.190	20	30		FEEDHM
Cc1c(-c2ccncc2)[n-][nH]c1=NC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1	ZINC000365401039	555564898	/nfs/dbraw/zinc/56/48/98/555564898.db2.gz	DCURGNFSPVFFGY-QGZVFWFLSA-N	-1	3	356.389	2.973	20	30		FEEDHM
C#CCCCS(=O)(=O)[N-][C@@H](c1noc(C)n1)c1ccc(Cl)cc1	ZINC000367866768	556159506	/nfs/dbraw/zinc/15/95/06/556159506.db2.gz	VAOUZWDRHJIGKQ-CQSZACIVSA-N	-1	3	353.831	2.454	20	30		FEEDHM
C[C@@]1(C[N-]S(=O)(=O)c2ccc(C#N)s2)OCCc2sccc21	ZINC000368061123	556208014	/nfs/dbraw/zinc/20/80/14/556208014.db2.gz	HQAGHBNVOBZIST-AWEZNQCLSA-N	-1	3	354.478	2.448	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC12CCC(CO)CC2	ZINC000370321714	556839098	/nfs/dbraw/zinc/83/90/98/556839098.db2.gz	AQNIMZWFXUDLIF-UHFFFAOYSA-N	-1	3	357.454	2.362	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-][C@@H](c1ccccc1)c1ccncc1	ZINC000370648247	556930609	/nfs/dbraw/zinc/93/06/09/556930609.db2.gz	OZKHXOWRBKRVQE-SFHVURJKSA-N	-1	3	350.403	2.416	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCC[C@@H]1Cn1cccn1	ZINC000370862973	556994629	/nfs/dbraw/zinc/99/46/29/556994629.db2.gz	SWAVNSQKHFOIBG-MRXNPFEDSA-N	-1	3	367.453	2.486	20	30		FEEDHM
N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H](c1nc[nH]n1)c1ccccc1	ZINC000372882121	557581715	/nfs/dbraw/zinc/58/17/15/557581715.db2.gz	ZKKMWZYRUBGOSD-HNNXBMFYSA-N	-1	3	373.825	2.398	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@@H](C)O[C@]2(CCCOC2)C1	ZINC000373005890	557608091	/nfs/dbraw/zinc/60/80/91/557608091.db2.gz	ZSXIPTQIGMFQNC-ZUOKHONESA-N	-1	3	373.453	2.005	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H](n2cccn2)C1	ZINC000373982175	557800668	/nfs/dbraw/zinc/80/06/68/557800668.db2.gz	INIFCORJMIQSQF-OAHLLOKOSA-N	-1	3	353.426	2.269	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]Cc2noc(-c3cccc(F)c3)n2)s1	ZINC000374605603	557906000	/nfs/dbraw/zinc/90/60/00/557906000.db2.gz	SEFHQOBXGSWQOI-UHFFFAOYSA-N	-1	3	364.383	2.287	20	30		FEEDHM
CCC[C@@H](C#N)NC(=O)c1cc(C2CC2)nc2c1c(=O)[n-]c(=O)n2CCC	ZINC000523282578	562210429	/nfs/dbraw/zinc/21/04/29/562210429.db2.gz	SWZWNKYHOAVZJV-LBPRGKRZSA-N	-1	3	369.425	2.207	20	30		FEEDHM
C=CCC(CC=C)C(=O)N1CCC[C@H](c2n[nH]cc2[N-]S(C)(=O)=O)C1	ZINC000378547976	558580492	/nfs/dbraw/zinc/58/04/92/558580492.db2.gz	KBUUBHLTJCUHDE-AWEZNQCLSA-N	-1	3	366.487	2.256	20	30		FEEDHM
C=CCC(CC=C)C(=O)N1CCC[C@H](c2[nH]ncc2[N-]S(C)(=O)=O)C1	ZINC000378547976	558580494	/nfs/dbraw/zinc/58/04/94/558580494.db2.gz	KBUUBHLTJCUHDE-AWEZNQCLSA-N	-1	3	366.487	2.256	20	30		FEEDHM
N#C[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(Br)cc2c1OCC2	ZINC000408212479	558656830	/nfs/dbraw/zinc/65/68/30/558656830.db2.gz	WVXRQVMEVHTMKC-JQWIXIFHSA-N	-1	3	371.256	2.355	20	30		FEEDHM
CCN(C[C@@H](C)C#N)S(=O)(=O)[N-][C@@H](COCC(C)C)c1ccco1	ZINC000409589115	558705792	/nfs/dbraw/zinc/70/57/92/558705792.db2.gz	LKRWFDCAIWYOBJ-GJZGRUSLSA-N	-1	3	357.476	2.309	20	30		FEEDHM
CC(C)c1nn([C@@H]2CCS(=O)(=O)C2)cc1C([O-])=C(C#N)c1ccccn1	ZINC000525277163	562244767	/nfs/dbraw/zinc/24/47/67/562244767.db2.gz	RWNKIFYCDLTIQC-KGLIPLIRSA-N	-1	3	372.450	2.251	20	30		FEEDHM
CN(CC(F)F)C(=O)C(=O)[N-][C@H](c1c(F)cccc1F)C(F)(F)F	ZINC000411212100	558853940	/nfs/dbraw/zinc/85/39/40/558853940.db2.gz	UPKRFYHMOJSCCA-SNVBAGLBSA-N	-1	3	360.229	2.408	20	30		FEEDHM
CC(C)(CCO)C[N-]S(=O)(=O)c1cc(Br)ccc1C#N	ZINC000416415694	559311369	/nfs/dbraw/zinc/31/13/69/559311369.db2.gz	UPGUQPOXDXHPPN-UHFFFAOYSA-N	-1	3	361.261	2.008	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1C#N)[C@H]1CCCOC1	ZINC000416452497	559313881	/nfs/dbraw/zinc/31/38/81/559313881.db2.gz	CZEHAYJRYIAEFT-JQWIXIFHSA-N	-1	3	373.272	2.414	20	30		FEEDHM
N#Cc1ccc(Br)cc1S(=O)(=O)[N-]C[C@@H]1CCCC[C@H]1O	ZINC000416464310	559314943	/nfs/dbraw/zinc/31/49/43/559314943.db2.gz	WXQVBLOHVFZNNQ-WCQYABFASA-N	-1	3	373.272	2.150	20	30		FEEDHM
CC(C)(C)c1nc(C[N-]S(=O)(=O)c2ccc(CC#N)cc2Cl)n[nH]1	ZINC000416545236	559320805	/nfs/dbraw/zinc/32/08/05/559320805.db2.gz	PZWGTKAHUOIWCF-UHFFFAOYSA-N	-1	3	367.862	2.300	20	30		FEEDHM
C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2C#N)CS1	ZINC000416602899	559324564	/nfs/dbraw/zinc/32/45/64/559324564.db2.gz	XNTWTROULUQMOV-KCJUWKMLSA-N	-1	3	361.286	2.493	20	30		FEEDHM
N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@H]1CCC[C@H](CO)C1	ZINC000416645979	559327332	/nfs/dbraw/zinc/32/73/32/559327332.db2.gz	GKKJPXCABWJUIH-QWRGUYRKSA-N	-1	3	373.272	2.150	20	30		FEEDHM
Cc1cc(CNCCNC(=O)NCc2cccc(C(=O)[O-])c2)ccc1C#N	ZINC000417617596	559369511	/nfs/dbraw/zinc/36/95/11/559369511.db2.gz	WJPXLRZEONOJLL-UHFFFAOYSA-N	-1	3	366.421	2.154	20	30		FEEDHM
CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]Cc1ccc(C#N)s1	ZINC000420702894	559499171	/nfs/dbraw/zinc/49/91/71/559499171.db2.gz	IOHQXKFAXWGPRY-UHFFFAOYSA-N	-1	3	354.409	2.040	20	30		FEEDHM
C[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@H](C)c2cccc(C#N)c2)c(C)o1	ZINC000425137387	559688340	/nfs/dbraw/zinc/68/83/40/559688340.db2.gz	XPOADDQCFGSYFN-LLVKDONJSA-N	-1	3	361.423	2.201	20	30		FEEDHM
COc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CC[C@H](C#N)C1	ZINC000425186483	559690060	/nfs/dbraw/zinc/69/00/60/559690060.db2.gz	ANKLSPHTDWEDEQ-GXSJLCMTSA-N	-1	3	359.245	2.428	20	30		FEEDHM
C=CCn1c(=O)[n-]nc1S(=O)(=O)[C@H](C)c1ccc(Br)cc1	ZINC000427078745	559747232	/nfs/dbraw/zinc/74/72/32/559747232.db2.gz	GRSLZWYFSUNHGJ-SECBINFHSA-N	-1	3	372.244	2.467	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2Cl)cc1F	ZINC000427146079	559749137	/nfs/dbraw/zinc/74/91/37/559749137.db2.gz	UTHIUPOVXHCUPH-UHFFFAOYSA-N	-1	3	353.762	2.250	20	30		FEEDHM
CS(=O)(=O)[N-]c1ccc(C(=O)Cn2nc(C#N)c3ccccc32)cc1	ZINC000432457501	559859115	/nfs/dbraw/zinc/85/91/15/559859115.db2.gz	QYNIJIGUIXNZOP-UHFFFAOYSA-N	-1	3	354.391	2.162	20	30		FEEDHM
C/C=C/C[C@@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C(=O)OCC	ZINC000433879120	559889386	/nfs/dbraw/zinc/88/93/86/559889386.db2.gz	KLUHKGDLRJCPCJ-MASHWEEQSA-N	-1	3	356.831	2.388	20	30		FEEDHM
Cc1ocnc1C[N-]S(=O)(=O)c1ccc(C#N)c(Br)c1	ZINC000433884205	559889668	/nfs/dbraw/zinc/88/96/68/559889668.db2.gz	TXOFIDVDCDEWRJ-UHFFFAOYSA-N	-1	3	356.201	2.096	20	30		FEEDHM
N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CCOCC(F)(F)C(F)F	ZINC000434766077	559908792	/nfs/dbraw/zinc/90/87/92/559908792.db2.gz	SGHLBPXHBJYDHH-UHFFFAOYSA-N	-1	3	374.743	2.407	20	30		FEEDHM
COC(=O)[C@@H](C)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)s1)c1ccccc1	ZINC000435436082	559923014	/nfs/dbraw/zinc/92/30/14/559923014.db2.gz	DCABYIKIWYHIKD-XHDPSFHLSA-N	-1	3	364.448	2.448	20	30		FEEDHM
COc1ccccc1[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)s1)N(C)C	ZINC000435438335	559923099	/nfs/dbraw/zinc/92/30/99/559923099.db2.gz	ODCQTDMRXCFUGE-CQSZACIVSA-N	-1	3	365.480	2.210	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc(N3CCCCC3)nc2)s1	ZINC000435441981	559923275	/nfs/dbraw/zinc/92/32/75/559923275.db2.gz	FUALTEPIDNZZCS-UHFFFAOYSA-N	-1	3	362.480	2.484	20	30		FEEDHM
CN(C)C(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)s1)c1ccccc1	ZINC000435447271	559923384	/nfs/dbraw/zinc/92/33/84/559923384.db2.gz	OKENXYNHHSIZQX-CQSZACIVSA-N	-1	3	363.464	2.118	20	30		FEEDHM
CC[C@H](C)[C@H]([N-]S(C)(=O)=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1	ZINC000435443537	559923399	/nfs/dbraw/zinc/92/33/99/559923399.db2.gz	QUWCZOMYRONCBD-LRDDRELGSA-N	-1	3	367.471	2.248	20	30		FEEDHM
N#Cc1ncn(CCNC(=O)c2cc(CCc3ccccc3)ccc2[O-])n1	ZINC000436655452	559948023	/nfs/dbraw/zinc/94/80/23/559948023.db2.gz	IMDIVLGTBSAZEI-UHFFFAOYSA-N	-1	3	361.405	2.071	20	30		FEEDHM
N#Cc1cc(F)ccc1NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1	ZINC000436954406	559957556	/nfs/dbraw/zinc/95/75/56/559957556.db2.gz	GLLGHRJLYDVTJF-UHFFFAOYSA-N	-1	3	368.368	2.393	20	30		FEEDHM
C=CCCC[C@@H](C)N1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1	ZINC000439290056	559991532	/nfs/dbraw/zinc/99/15/32/559991532.db2.gz	SLWHANAHEPIHHT-GFCCVEGCSA-N	-1	3	357.442	2.182	20	30		FEEDHM
COc1ccc(C2([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3C#N)CC2)cc1	ZINC000443078460	560069737	/nfs/dbraw/zinc/06/97/37/560069737.db2.gz	HGRSXNQRPQEYCF-UHFFFAOYSA-N	-1	3	373.390	2.443	20	30		FEEDHM
N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CCOc1ncccc1F	ZINC000443491444	560085376	/nfs/dbraw/zinc/08/53/76/560085376.db2.gz	QGFURFJDBFMWBJ-UHFFFAOYSA-N	-1	3	355.778	2.103	20	30		FEEDHM
CC[C@@H](O)[C@H](CC)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000451977291	560341664	/nfs/dbraw/zinc/34/16/64/560341664.db2.gz	NYFMGDSUCGECLY-NWDGAFQWSA-N	-1	3	350.362	2.405	20	30		FEEDHM
C=C(C)CCNC(=O)[C@@H](CCSC)[N-]S(=O)(=O)c1ccccc1F	ZINC000452722701	560372216	/nfs/dbraw/zinc/37/22/16/560372216.db2.gz	KQBCRASKUJZUEM-CQSZACIVSA-N	-1	3	374.503	2.308	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]([C@@H](CO)C1CC1)C1CC1	ZINC000452923079	560378020	/nfs/dbraw/zinc/37/80/20/560378020.db2.gz	MOOLICXKXNVSID-HKUYNNGSSA-N	-1	3	357.454	2.122	20	30		FEEDHM
Cc1ccc(S(=O)(=O)[N-]CCOc2ccc(C#N)cc2)c([N+](=O)[O-])c1	ZINC000462407689	560809046	/nfs/dbraw/zinc/80/90/46/560809046.db2.gz	MTNBKFNHMKKHLJ-UHFFFAOYSA-N	-1	3	361.379	2.132	20	30		FEEDHM
CC(C)[C@H](C#N)[N-]S(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1	ZINC000463470830	560816194	/nfs/dbraw/zinc/81/61/94/560816194.db2.gz	LNNRQZIMWNBBFS-ZDUSSCGKSA-N	-1	3	371.528	2.279	20	30		FEEDHM
C=C[C@H](C)NC(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1	ZINC000465251898	560861385	/nfs/dbraw/zinc/86/13/85/560861385.db2.gz	BZPYFJWMRQSMDL-VIFPVBQESA-N	-1	3	351.350	2.223	20	30		FEEDHM
C=CCn1c(S[C@@H](C(N)=O)c2ccc(Br)cc2)n[n-]c1=O	ZINC000470835025	560990991	/nfs/dbraw/zinc/99/09/91/560990991.db2.gz	ITJQLWPQKQCOHC-SNVBAGLBSA-N	-1	3	369.244	2.251	20	30		FEEDHM
COC(=O)[C@@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C1CCCCC1	ZINC000531037944	562432529	/nfs/dbraw/zinc/43/25/29/562432529.db2.gz	CTGMJGHMNBGYDG-SFHVURJKSA-N	-1	3	373.453	2.446	20	30		FEEDHM
C=CCCC[C@H](C)NC(=O)CC[N-]S(=O)(=O)c1ccc(F)c(F)c1	ZINC000537226947	562588151	/nfs/dbraw/zinc/58/81/51/562588151.db2.gz	STZKKQHKOCNYMZ-LBPRGKRZSA-N	-1	3	360.426	2.494	20	30		FEEDHM
CC[C@@H](CC#N)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1	ZINC000546569793	562637902	/nfs/dbraw/zinc/63/79/02/562637902.db2.gz	DLRWIBMAEWYQQA-NSHDSACASA-N	-1	3	364.402	2.377	20	30		FEEDHM
COc1cc(C(=O)/C=C\c2ccc(F)c(S(N)(=O)=O)c2)ccc1[O-]	ZINC000806567726	674381272	/nfs/dbraw/zinc/38/12/72/674381272.db2.gz	KOVXUKVZHNHVGR-UTCJRWHESA-N	-1	3	351.355	2.083	20	30		FEEDHM
Cc1cc(C#N)cnc1C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1	ZINC000568419163	568032186	/nfs/dbraw/zinc/03/21/86/568032186.db2.gz	JNMQUZYQOIICFY-UHFFFAOYSA-N	-1	3	364.405	2.002	20	30		FEEDHM
Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)SCCc2nnn[n-]2)c1	ZINC000603339920	568086977	/nfs/dbraw/zinc/08/69/77/568086977.db2.gz	VFNZMMXCUHDOTH-CQSZACIVSA-N	-1	3	358.471	2.428	20	30		FEEDHM
Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)SCCc2nn[n-]n2)c1	ZINC000603339920	568086978	/nfs/dbraw/zinc/08/69/78/568086978.db2.gz	VFNZMMXCUHDOTH-CQSZACIVSA-N	-1	3	358.471	2.428	20	30		FEEDHM
Cn1c2ccccc2nc1C(C#N)=C([O-])c1nn(C)c2ccccc2c1=O	ZINC000605075007	568553571	/nfs/dbraw/zinc/55/35/71/568553571.db2.gz	MDQCYBXSGMIGQC-ZDUSSCGKSA-N	-1	3	357.373	2.310	20	30		FEEDHM
CC[C@@H](C#N)Oc1cccc(CNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1	ZINC000736309891	598866974	/nfs/dbraw/zinc/86/69/74/598866974.db2.gz	UGPADPXZGPEIJL-INIZCTEOSA-N	-1	3	362.393	2.478	20	30		FEEDHM
CC[C@@H](C#N)Oc1cccc(CNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1	ZINC000736309891	598866975	/nfs/dbraw/zinc/86/69/75/598866975.db2.gz	UGPADPXZGPEIJL-INIZCTEOSA-N	-1	3	362.393	2.478	20	30		FEEDHM
C=CCCCCCN(C)S(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1	ZINC000735409245	598876524	/nfs/dbraw/zinc/87/65/24/598876524.db2.gz	WINCWRXBURGYLF-UHFFFAOYSA-N	-1	3	353.423	2.373	20	30		FEEDHM
COC(=O)[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccc(-c2nnn[n-]2)cc1	ZINC000736896913	598880053	/nfs/dbraw/zinc/88/00/53/598880053.db2.gz	PCNCBOKXFKKFEP-SJCJKPOMSA-N	-1	3	362.393	2.303	20	30		FEEDHM
COC(=O)[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccc(-c2nn[n-]n2)cc1	ZINC000736896913	598880054	/nfs/dbraw/zinc/88/00/54/598880054.db2.gz	PCNCBOKXFKKFEP-SJCJKPOMSA-N	-1	3	362.393	2.303	20	30		FEEDHM
C#CCOc1cccc(N[C@H](C(=O)OC)c2ccc(-c3nnn[n-]3)cc2)c1	ZINC000735380942	598884071	/nfs/dbraw/zinc/88/40/71/598884071.db2.gz	ORBAFPXCHPUWQO-KRWDZBQOSA-N	-1	3	363.377	2.205	20	30		FEEDHM
C#CCOc1cccc(N[C@H](C(=O)OC)c2ccc(-c3nn[n-]n3)cc2)c1	ZINC000735380942	598884072	/nfs/dbraw/zinc/88/40/72/598884072.db2.gz	ORBAFPXCHPUWQO-KRWDZBQOSA-N	-1	3	363.377	2.205	20	30		FEEDHM
COCCOc1ccccc1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1	ZINC000737014902	598920923	/nfs/dbraw/zinc/92/09/23/598920923.db2.gz	KRMJKDSHXVCXPM-UHFFFAOYSA-N	-1	3	364.365	2.016	20	30		FEEDHM
COCCOc1ccccc1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1	ZINC000737014902	598920924	/nfs/dbraw/zinc/92/09/24/598920924.db2.gz	KRMJKDSHXVCXPM-UHFFFAOYSA-N	-1	3	364.365	2.016	20	30		FEEDHM
COc1cccc(SCC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c1	ZINC000737142073	598925424	/nfs/dbraw/zinc/92/54/24/598925424.db2.gz	QTJUAQKQGAZFCE-UHFFFAOYSA-N	-1	3	366.406	2.478	20	30		FEEDHM
COc1cccc(SCC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c1	ZINC000737142073	598925425	/nfs/dbraw/zinc/92/54/25/598925425.db2.gz	QTJUAQKQGAZFCE-UHFFFAOYSA-N	-1	3	366.406	2.478	20	30		FEEDHM
N#Cc1cc(NC(=O)c2cc(-c3cccnc3)on2)ccc1-c1nnn[n-]1	ZINC000737709189	598928572	/nfs/dbraw/zinc/92/85/72/598928572.db2.gz	LETIFJOJMMHPOK-UHFFFAOYSA-N	-1	3	358.321	2.041	20	30		FEEDHM
N#Cc1cc(NC(=O)c2cc(-c3cccnc3)on2)ccc1-c1nn[n-]n1	ZINC000737709189	598928573	/nfs/dbraw/zinc/92/85/73/598928573.db2.gz	LETIFJOJMMHPOK-UHFFFAOYSA-N	-1	3	358.321	2.041	20	30		FEEDHM
C[C@H](CC#N)NC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1	ZINC000735963673	598932263	/nfs/dbraw/zinc/93/22/63/598932263.db2.gz	JHRWNPYCSVLDFK-CYBMUJFWSA-N	-1	3	362.393	2.478	20	30		FEEDHM
C[C@H](CC#N)NC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1	ZINC000735963673	598932264	/nfs/dbraw/zinc/93/22/64/598932264.db2.gz	JHRWNPYCSVLDFK-CYBMUJFWSA-N	-1	3	362.393	2.478	20	30		FEEDHM
Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N(CCC#N)CCC(C)C	ZINC000737297047	598956408	/nfs/dbraw/zinc/95/64/08/598956408.db2.gz	RJJAGLMDCLFXTQ-UHFFFAOYSA-N	-1	3	362.459	2.126	20	30		FEEDHM
Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N(CCC#N)CCC(C)C	ZINC000737297047	598956409	/nfs/dbraw/zinc/95/64/09/598956409.db2.gz	RJJAGLMDCLFXTQ-UHFFFAOYSA-N	-1	3	362.459	2.126	20	30		FEEDHM
C[C@](C#N)(NC(=O)COc1ccccc1-c1nnn[n-]1)C1CCCCC1	ZINC000735505670	598969835	/nfs/dbraw/zinc/96/98/35/598969835.db2.gz	UTCAXZUPBWQTOG-GOSISDBHSA-N	-1	3	354.414	2.224	20	30		FEEDHM
C[C@](C#N)(NC(=O)COc1ccccc1-c1nn[n-]n1)C1CCCCC1	ZINC000735505670	598969838	/nfs/dbraw/zinc/96/98/38/598969838.db2.gz	UTCAXZUPBWQTOG-GOSISDBHSA-N	-1	3	354.414	2.224	20	30		FEEDHM
CN(CCC#N)C(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1	ZINC000736792323	599025033	/nfs/dbraw/zinc/02/50/33/599025033.db2.gz	RBGLWIGYGZYZKK-UHFFFAOYSA-N	-1	3	362.393	2.431	20	30		FEEDHM
CN(CCC#N)C(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1	ZINC000736792323	599025035	/nfs/dbraw/zinc/02/50/35/599025035.db2.gz	RBGLWIGYGZYZKK-UHFFFAOYSA-N	-1	3	362.393	2.431	20	30		FEEDHM
N#Cc1cc(NC(=O)[C@@H]2C[C@@]23CCOc2ccccc23)ccc1-c1nnn[n-]1	ZINC000737703966	599191911	/nfs/dbraw/zinc/19/19/11/599191911.db2.gz	GNKSYFMERXAJRY-OXJNMPFZSA-N	-1	3	372.388	2.417	20	30		FEEDHM
N#Cc1cc(NC(=O)[C@@H]2C[C@@]23CCOc2ccccc23)ccc1-c1nn[n-]n1	ZINC000737703966	599191913	/nfs/dbraw/zinc/19/19/13/599191913.db2.gz	GNKSYFMERXAJRY-OXJNMPFZSA-N	-1	3	372.388	2.417	20	30		FEEDHM
C[C@H](C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)N(C)Cc1ccccc1	ZINC000735561427	599192695	/nfs/dbraw/zinc/19/26/95/599192695.db2.gz	YLAUVLWWIBOOBL-CYBMUJFWSA-N	-1	3	361.409	2.197	20	30		FEEDHM
N#Cc1cc(NC(=O)c2cccc(Cn3ccnc3)c2)ccc1-c1nnn[n-]1	ZINC000737709229	599194844	/nfs/dbraw/zinc/19/48/44/599194844.db2.gz	LTVHBYJKWDISPJ-UHFFFAOYSA-N	-1	3	370.376	2.235	20	30		FEEDHM
N#Cc1cc(NC(=O)c2cccc(Cn3ccnc3)c2)ccc1-c1nn[n-]n1	ZINC000737709229	599194846	/nfs/dbraw/zinc/19/48/46/599194846.db2.gz	LTVHBYJKWDISPJ-UHFFFAOYSA-N	-1	3	370.376	2.235	20	30		FEEDHM
Cc1cc(C(=O)N(CCN(C)C)CC(=O)[O-])c(C)n1-c1ccc(C#N)cc1	ZINC000740053739	596951489	/nfs/dbraw/zinc/95/14/89/596951489.db2.gz	LMEJQWMFRDISBM-UHFFFAOYSA-N	-1	3	368.437	2.054	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H](C)Oc1cccnc1	ZINC000735418953	599248195	/nfs/dbraw/zinc/24/81/95/599248195.db2.gz	MQBBTPBDIMSXFM-CQSZACIVSA-N	-1	3	364.409	2.244	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H](C)Oc1cccnc1	ZINC000735418953	599248198	/nfs/dbraw/zinc/24/81/98/599248198.db2.gz	MQBBTPBDIMSXFM-CQSZACIVSA-N	-1	3	364.409	2.244	20	30		FEEDHM
N#CCOc1cccc(NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)c1	ZINC000822815621	599255775	/nfs/dbraw/zinc/25/57/75/599255775.db2.gz	UVKITMIOPVCRJK-UHFFFAOYSA-N	-1	3	367.344	2.230	20	30		FEEDHM
N#CCOc1cccc(NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)c1	ZINC000822815621	599255776	/nfs/dbraw/zinc/25/57/76/599255776.db2.gz	UVKITMIOPVCRJK-UHFFFAOYSA-N	-1	3	367.344	2.230	20	30		FEEDHM
N#Cc1ccc(N2CCC[C@@H]2C(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1	ZINC000609101328	598574598	/nfs/dbraw/zinc/57/45/98/598574598.db2.gz	MUBLCUHJAYQMDI-QGZVFWFLSA-N	-1	3	359.393	2.346	20	30		FEEDHM
N#Cc1ccc(N2CCC[C@@H]2C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1	ZINC000609101328	598574600	/nfs/dbraw/zinc/57/46/00/598574600.db2.gz	MUBLCUHJAYQMDI-QGZVFWFLSA-N	-1	3	359.393	2.346	20	30		FEEDHM
C#Cc1cccc(NC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)c1	ZINC000735390829	598575575	/nfs/dbraw/zinc/57/55/75/598575575.db2.gz	DRQYTMFDIQQTCF-GOSISDBHSA-N	-1	3	358.405	2.456	20	30		FEEDHM
CN(C(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1cccc(C#N)c1	ZINC000736740066	598656589	/nfs/dbraw/zinc/65/65/89/598656589.db2.gz	ZDPYWPJZIKKNIX-UHFFFAOYSA-N	-1	3	350.407	2.493	20	30		FEEDHM
CN(C(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1cccc(C#N)c1	ZINC000736740066	598656591	/nfs/dbraw/zinc/65/65/91/598656591.db2.gz	ZDPYWPJZIKKNIX-UHFFFAOYSA-N	-1	3	350.407	2.493	20	30		FEEDHM
N#C[C@@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1	ZINC000737675465	598664998	/nfs/dbraw/zinc/66/49/98/598664998.db2.gz	PFCYHBHOWJNXBP-OAHLLOKOSA-N	-1	3	368.397	2.479	20	30		FEEDHM
N#C[C@@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1	ZINC000737675465	598665000	/nfs/dbraw/zinc/66/50/00/598665000.db2.gz	PFCYHBHOWJNXBP-OAHLLOKOSA-N	-1	3	368.397	2.479	20	30		FEEDHM
C#CCOc1ccc(F)cc1NCC(=O)Nc1ccc(-c2nnn[n-]2)cc1	ZINC000735379996	599329154	/nfs/dbraw/zinc/32/91/54/599329154.db2.gz	ARUGLBJMZQPEPB-UHFFFAOYSA-N	-1	3	366.356	2.068	20	30		FEEDHM
C#CCOc1ccc(F)cc1NCC(=O)Nc1ccc(-c2nn[n-]n2)cc1	ZINC000735379996	599329157	/nfs/dbraw/zinc/32/91/57/599329157.db2.gz	ARUGLBJMZQPEPB-UHFFFAOYSA-N	-1	3	366.356	2.068	20	30		FEEDHM
C=C(Cl)CNC(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1	ZINC000735402021	599454692	/nfs/dbraw/zinc/45/46/92/599454692.db2.gz	FCGSSEBUMYEIAT-UHFFFAOYSA-N	-1	3	362.821	2.172	20	30		FEEDHM
C=C(Cl)CNC(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1	ZINC000735402021	599454695	/nfs/dbraw/zinc/45/46/95/599454695.db2.gz	FCGSSEBUMYEIAT-UHFFFAOYSA-N	-1	3	362.821	2.172	20	30		FEEDHM
N#CC1(C(=O)NCCSCc2ccccc2-c2nnn[n-]2)CCCC1	ZINC000822802074	599699502	/nfs/dbraw/zinc/69/95/02/599699502.db2.gz	UVSQCTUKDCWPBG-UHFFFAOYSA-N	-1	3	356.455	2.300	20	30		FEEDHM
N#CC1(C(=O)NCCSCc2ccccc2-c2nn[n-]n2)CCCC1	ZINC000822802074	599699503	/nfs/dbraw/zinc/69/95/03/599699503.db2.gz	UVSQCTUKDCWPBG-UHFFFAOYSA-N	-1	3	356.455	2.300	20	30		FEEDHM
C[C@@H](OC(=O)C#Cc1ccc2c(c1)OCO2)c1ccc(-c2nnn[n-]2)cc1	ZINC000820479697	607403097	/nfs/dbraw/zinc/40/30/97/607403097.db2.gz	BBVDWTZDXRELDV-GFCCVEGCSA-N	-1	3	362.345	2.251	20	30		FEEDHM
C[C@@H](OC(=O)C#Cc1ccc2c(c1)OCO2)c1ccc(-c2nn[n-]n2)cc1	ZINC000820479697	607403098	/nfs/dbraw/zinc/40/30/98/607403098.db2.gz	BBVDWTZDXRELDV-GFCCVEGCSA-N	-1	3	362.345	2.251	20	30		FEEDHM
C[C@H](OC(=O)C#Cc1ccc2c(c1)OCO2)c1ccc(-c2nnn[n-]2)cc1	ZINC000820479698	607403409	/nfs/dbraw/zinc/40/34/09/607403409.db2.gz	BBVDWTZDXRELDV-LBPRGKRZSA-N	-1	3	362.345	2.251	20	30		FEEDHM
C[C@H](OC(=O)C#Cc1ccc2c(c1)OCO2)c1ccc(-c2nn[n-]n2)cc1	ZINC000820479698	607403410	/nfs/dbraw/zinc/40/34/10/607403410.db2.gz	BBVDWTZDXRELDV-LBPRGKRZSA-N	-1	3	362.345	2.251	20	30		FEEDHM
N#Cc1cccc(C2(NC(=O)NCc3cccc(-c4nnn[n-]4)c3)CC2)c1	ZINC000826386444	607448657	/nfs/dbraw/zinc/44/86/57/607448657.db2.gz	FFZPQFHRXYBGGJ-UHFFFAOYSA-N	-1	3	359.393	2.227	20	30		FEEDHM
N#Cc1cccc(C2(NC(=O)NCc3cccc(-c4nn[n-]n4)c3)CC2)c1	ZINC000826386444	607448658	/nfs/dbraw/zinc/44/86/58/607448658.db2.gz	FFZPQFHRXYBGGJ-UHFFFAOYSA-N	-1	3	359.393	2.227	20	30		FEEDHM
N#Cc1ccc(NC(=O)CN(CCC(=O)[O-])C2CCOCC2)cc1Cl	ZINC000833073023	601048967	/nfs/dbraw/zinc/04/89/67/601048967.db2.gz	DOSKDTUXAVOLJT-UHFFFAOYSA-N	-1	3	365.817	2.106	20	30		FEEDHM
COC(=O)c1cc(CN[C@@H](C(=O)[O-])c2cccc(C#N)c2)ccc1OC	ZINC000831249166	601299737	/nfs/dbraw/zinc/29/97/37/601299737.db2.gz	VWDKIYYHJNTHJP-QGZVFWFLSA-N	-1	3	354.362	2.269	20	30		FEEDHM
C[C@@H](C(=O)[O-])[C@@H](NCCS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1	ZINC000826051988	601652221	/nfs/dbraw/zinc/65/22/21/601652221.db2.gz	FYYOZADEPNOOGC-RDTXWAMCSA-N	-1	3	372.446	2.384	20	30		FEEDHM
C[C@H](NC(=O)[O-])[C@H]1CCCCN1C[C@@H](O)COc1ccc(CC#N)cc1	ZINC000739012005	602274433	/nfs/dbraw/zinc/27/44/33/602274433.db2.gz	RFVWVQDFACUAOU-YXJHDRRASA-N	-1	3	361.442	2.003	20	30		FEEDHM
C=C(C)CN1CCC(NC(=O)N(CCC)[C@H]2CCN(C(=O)[O-])C2)CC1	ZINC000738485716	602680009	/nfs/dbraw/zinc/68/00/09/602680009.db2.gz	PIEQTDLLMIJQMU-INIZCTEOSA-N	-1	3	352.479	2.201	20	30		FEEDHM
CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCC[C@H](NC(=O)[O-])C1	ZINC000739613136	603205479	/nfs/dbraw/zinc/20/54/79/603205479.db2.gz	NYRVFWPEPJXOHA-ROUUACIJSA-N	-1	3	372.469	2.275	20	30		FEEDHM
CN(C(=O)[O-])[C@H]1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1	ZINC000827882199	603843205	/nfs/dbraw/zinc/84/32/05/603843205.db2.gz	LTZOZKCQYVQQOC-NWDGAFQWSA-N	-1	3	358.423	2.157	20	30		FEEDHM
C#CCN(CC)[C@@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2	ZINC000819698398	606074757	/nfs/dbraw/zinc/07/47/57/606074757.db2.gz	YLKULVOYLSVWDR-LBPRGKRZSA-N	-1	3	372.498	2.479	20	30		FEEDHM
C#CCN(CC)[C@@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2	ZINC000819698398	606074760	/nfs/dbraw/zinc/07/47/60/606074760.db2.gz	YLKULVOYLSVWDR-LBPRGKRZSA-N	-1	3	372.498	2.479	20	30		FEEDHM
C#Cc1cccc(NC(=S)NN=Cc2cc(-c3nnn[n-]3)cs2)c1	ZINC000819709504	606204936	/nfs/dbraw/zinc/20/49/36/606204936.db2.gz	HHUGGKUDSCWNJR-UHFFFAOYSA-N	-1	3	353.436	2.230	20	30		FEEDHM
C#Cc1cccc(NC(=S)NN=Cc2cc(-c3nn[n-]n3)cs2)c1	ZINC000819709504	606204938	/nfs/dbraw/zinc/20/49/38/606204938.db2.gz	HHUGGKUDSCWNJR-UHFFFAOYSA-N	-1	3	353.436	2.230	20	30		FEEDHM
N#Cc1ccsc1N1CC[C@H](Sc2cc(-c3nnn[n-]3)ccn2)C1=O	ZINC000822842539	606311346	/nfs/dbraw/zinc/31/13/46/606311346.db2.gz	NBDGNMUTNGVPHC-NSHDSACASA-N	-1	3	369.435	2.092	20	30		FEEDHM
N#Cc1ccsc1N1CC[C@H](Sc2cc(-c3nn[n-]n3)ccn2)C1=O	ZINC000822842539	606311347	/nfs/dbraw/zinc/31/13/47/606311347.db2.gz	NBDGNMUTNGVPHC-NSHDSACASA-N	-1	3	369.435	2.092	20	30		FEEDHM
C=C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CC1	ZINC000819730336	606341706	/nfs/dbraw/zinc/34/17/06/606341706.db2.gz	WPEFJQYPZDBVIW-UHFFFAOYSA-N	-1	3	373.360	2.226	20	30		FEEDHM
C=C1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CC1	ZINC000819730336	606341708	/nfs/dbraw/zinc/34/17/08/606341708.db2.gz	WPEFJQYPZDBVIW-UHFFFAOYSA-N	-1	3	373.360	2.226	20	30		FEEDHM
Cn1cc(-c2nnn[n-]2)cc1C(=O)NCC#Cc1ccc(C(F)(F)F)cc1	ZINC000822636991	606529797	/nfs/dbraw/zinc/52/97/97/606529797.db2.gz	LVXZJCNBSGLTAS-UHFFFAOYSA-N	-1	3	374.326	2.006	20	30		FEEDHM
Cn1cc(-c2nn[n-]n2)cc1C(=O)NCC#Cc1ccc(C(F)(F)F)cc1	ZINC000822636991	606529798	/nfs/dbraw/zinc/52/97/98/606529798.db2.gz	LVXZJCNBSGLTAS-UHFFFAOYSA-N	-1	3	374.326	2.006	20	30		FEEDHM
C#CCN(CC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1)C1CCCC1	ZINC000819697566	606784824	/nfs/dbraw/zinc/78/48/24/606784824.db2.gz	IANPWPDZDQOGCZ-UHFFFAOYSA-N	-1	3	358.833	2.336	20	30		FEEDHM
C#CCN(CC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1)C1CCCC1	ZINC000819697566	606784826	/nfs/dbraw/zinc/78/48/26/606784826.db2.gz	IANPWPDZDQOGCZ-UHFFFAOYSA-N	-1	3	358.833	2.336	20	30		FEEDHM
N#Cc1cc(-c2nnn[n-]2)c(SCc2nc3cc(F)ccc3o2)nc1N	ZINC000822818497	606793558	/nfs/dbraw/zinc/79/35/58/606793558.db2.gz	AHAAIPASIOBFQJ-UHFFFAOYSA-N	-1	3	368.357	2.288	20	30		FEEDHM
N#Cc1cc(-c2nn[n-]n2)c(SCc2nc3cc(F)ccc3o2)nc1N	ZINC000822818497	606793560	/nfs/dbraw/zinc/79/35/60/606793560.db2.gz	AHAAIPASIOBFQJ-UHFFFAOYSA-N	-1	3	368.357	2.288	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H](C)C1CCOCC1	ZINC000819744185	606811854	/nfs/dbraw/zinc/81/18/54/606811854.db2.gz	ZJFBSUCGWUHYLD-CQSZACIVSA-N	-1	3	370.457	2.379	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H](C)C1CCOCC1	ZINC000819744185	606811856	/nfs/dbraw/zinc/81/18/56/606811856.db2.gz	ZJFBSUCGWUHYLD-CQSZACIVSA-N	-1	3	370.457	2.379	20	30		FEEDHM
C#CCN(C1CCCC1)S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1	ZINC000819698176	606847409	/nfs/dbraw/zinc/84/74/09/606847409.db2.gz	UCANYTRSZRSAEF-UHFFFAOYSA-N	-1	3	365.846	2.087	20	30		FEEDHM
C#CCN(C1CCCC1)S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1	ZINC000819698176	606847410	/nfs/dbraw/zinc/84/74/10/606847410.db2.gz	UCANYTRSZRSAEF-UHFFFAOYSA-N	-1	3	365.846	2.087	20	30		FEEDHM
N#Cc1cccc(OCCCOC(=O)Cc2ccc(-c3nnn[n-]3)cc2)c1	ZINC000822837613	606948603	/nfs/dbraw/zinc/94/86/03/606948603.db2.gz	PENHFHJPZIXJBN-UHFFFAOYSA-N	-1	3	363.377	2.293	20	30		FEEDHM
N#Cc1cccc(OCCCOC(=O)Cc2ccc(-c3nn[n-]n3)cc2)c1	ZINC000822837613	606948604	/nfs/dbraw/zinc/94/86/04/606948604.db2.gz	PENHFHJPZIXJBN-UHFFFAOYSA-N	-1	3	363.377	2.293	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](C)C[C@H]1CCOC1	ZINC000819744117	607144623	/nfs/dbraw/zinc/14/46/23/607144623.db2.gz	XBCXQNFIELYPNK-GOEBONIOSA-N	-1	3	370.457	2.379	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](C)C[C@H]1CCOC1	ZINC000819744117	607144625	/nfs/dbraw/zinc/14/46/25/607144625.db2.gz	XBCXQNFIELYPNK-GOEBONIOSA-N	-1	3	370.457	2.379	20	30		FEEDHM
C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Oc1ccc(C#N)cc1F	ZINC000820548911	607249992	/nfs/dbraw/zinc/24/99/92/607249992.db2.gz	IEBWXYVFVHAFDU-JTQLQIEISA-N	-1	3	353.313	2.250	20	30		FEEDHM
C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Oc1ccc(C#N)cc1F	ZINC000820548911	607249993	/nfs/dbraw/zinc/24/99/93/607249993.db2.gz	IEBWXYVFVHAFDU-JTQLQIEISA-N	-1	3	353.313	2.250	20	30		FEEDHM
CCOc1cc(-c2nnn[n-]2)ccc1OC[C@@H](O)c1ccc(C#N)cc1	ZINC000825609488	607871894	/nfs/dbraw/zinc/87/18/94/607871894.db2.gz	NNLYULXFKXNZJA-OAHLLOKOSA-N	-1	3	351.366	2.249	20	30		FEEDHM
CCOc1cc(-c2nn[n-]n2)ccc1OC[C@@H](O)c1ccc(C#N)cc1	ZINC000825609488	607871895	/nfs/dbraw/zinc/87/18/95/607871895.db2.gz	NNLYULXFKXNZJA-OAHLLOKOSA-N	-1	3	351.366	2.249	20	30		FEEDHM
C#CC[C@H](NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl)c1ccccc1	ZINC000823837287	607956202	/nfs/dbraw/zinc/95/62/02/607956202.db2.gz	AHEYMZPBHBAJIT-AWEZNQCLSA-N	-1	3	352.785	2.410	20	30		FEEDHM
C#CC[C@H](NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl)c1ccccc1	ZINC000823837287	607956203	/nfs/dbraw/zinc/95/62/03/607956203.db2.gz	AHEYMZPBHBAJIT-AWEZNQCLSA-N	-1	3	352.785	2.410	20	30		FEEDHM
C#C[C@@H](Cc1ccccc1)OC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1	ZINC000823837521	608012093	/nfs/dbraw/zinc/01/20/93/608012093.db2.gz	DJPOMXKLRITPFV-ZBFHGGJFSA-N	-1	3	362.389	2.422	20	30		FEEDHM
C#C[C@@H](Cc1ccccc1)OC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1	ZINC000823837521	608012094	/nfs/dbraw/zinc/01/20/94/608012094.db2.gz	DJPOMXKLRITPFV-ZBFHGGJFSA-N	-1	3	362.389	2.422	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCc1cncc(C)c1	ZINC000823909558	608032657	/nfs/dbraw/zinc/03/26/57/608032657.db2.gz	JAELBRRUGZOLIO-UHFFFAOYSA-N	-1	3	363.425	2.468	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCc1cncc(C)c1	ZINC000823909558	608032658	/nfs/dbraw/zinc/03/26/58/608032658.db2.gz	JAELBRRUGZOLIO-UHFFFAOYSA-N	-1	3	363.425	2.468	20	30		FEEDHM
COc1ccc(-c2nnn[n-]2)cc1CON=C1CCN(C(=O)C(C)C)CC1	ZINC000826184850	608150884	/nfs/dbraw/zinc/15/08/84/608150884.db2.gz	NCFLUJZNLOPXOY-UHFFFAOYSA-N	-1	3	372.429	2.026	20	30		FEEDHM
COc1ccc(-c2nn[n-]n2)cc1CON=C1CCN(C(=O)C(C)C)CC1	ZINC000826184850	608150885	/nfs/dbraw/zinc/15/08/85/608150885.db2.gz	NCFLUJZNLOPXOY-UHFFFAOYSA-N	-1	3	372.429	2.026	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@@H]1CCO[C@H](C)C1	ZINC000823909650	608203313	/nfs/dbraw/zinc/20/33/13/608203313.db2.gz	MHJKRTMQPDIRGV-HUUCEWRRSA-N	-1	3	370.457	2.379	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@@H]1CCO[C@H](C)C1	ZINC000823909650	608203314	/nfs/dbraw/zinc/20/33/14/608203314.db2.gz	MHJKRTMQPDIRGV-HUUCEWRRSA-N	-1	3	370.457	2.379	20	30		FEEDHM
Cc1cc(C(=O)NC2=NO[C@@H](C)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1	ZINC000826258860	608209558	/nfs/dbraw/zinc/20/95/58/608209558.db2.gz	ZDTXSDOVXQWKGU-NSHDSACASA-N	-1	3	365.397	2.126	20	30		FEEDHM
N#C[C@@H](COC(=O)COc1ccc(-c2nn[n-]n2)cc1)Cc1cccs1	ZINC000826379471	608276320	/nfs/dbraw/zinc/27/63/20/608276320.db2.gz	SJAULRNXTMJUDP-LBPRGKRZSA-N	-1	3	369.406	2.233	20	30		FEEDHM
C=CCOc1cccnc1C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1	ZINC000823932155	608468426	/nfs/dbraw/zinc/46/84/26/608468426.db2.gz	QMCAATNKAOFHGP-GFCCVEGCSA-N	-1	3	350.382	2.318	20	30		FEEDHM
C=CCOc1cccnc1C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1	ZINC000823932155	608468427	/nfs/dbraw/zinc/46/84/27/608468427.db2.gz	QMCAATNKAOFHGP-GFCCVEGCSA-N	-1	3	350.382	2.318	20	30		FEEDHM
CCC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1c(C)nn(C)c1C	ZINC000825029199	608535416	/nfs/dbraw/zinc/53/54/16/608535416.db2.gz	OURGGMUHCJPHJU-UHFFFAOYSA-N	-1	3	359.825	2.492	20	30		FEEDHM
CCC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1c(C)nn(C)c1C	ZINC000825029199	608535418	/nfs/dbraw/zinc/53/54/18/608535418.db2.gz	OURGGMUHCJPHJU-UHFFFAOYSA-N	-1	3	359.825	2.492	20	30		FEEDHM
CSCCN=c1scc(C)n1N=Cc1cc(-c2nnn[n-]2)cs1	ZINC000826228835	608751930	/nfs/dbraw/zinc/75/19/30/608751930.db2.gz	CMMFZQKXQBQWLG-UHFFFAOYSA-N	-1	3	365.513	2.246	20	30		FEEDHM
CSCCN=c1scc(C)n1N=Cc1cc(-c2nn[n-]n2)cs1	ZINC000826228835	608751932	/nfs/dbraw/zinc/75/19/32/608751932.db2.gz	CMMFZQKXQBQWLG-UHFFFAOYSA-N	-1	3	365.513	2.246	20	30		FEEDHM
CC(=NNc1ccc(S(C)(=O)=O)cc1)c1ccc(-c2nnn[n-]2)c(F)c1	ZINC000823958543	609159483	/nfs/dbraw/zinc/15/94/83/609159483.db2.gz	PZPPCKQLZKUTJU-UHFFFAOYSA-N	-1	3	374.401	2.245	20	30		FEEDHM
CC(=NNc1ccc(S(C)(=O)=O)cc1)c1ccc(-c2nn[n-]n2)c(F)c1	ZINC000823958543	609159484	/nfs/dbraw/zinc/15/94/84/609159484.db2.gz	PZPPCKQLZKUTJU-UHFFFAOYSA-N	-1	3	374.401	2.245	20	30		FEEDHM
N#CCc1ccccc1CC(=O)OCCOc1ccc(-c2nn[n-]n2)cc1	ZINC000826382590	609244500	/nfs/dbraw/zinc/24/45/00/609244500.db2.gz	LOQBTYPPGDXNSK-UHFFFAOYSA-N	-1	3	363.377	2.097	20	30		FEEDHM
N#CCc1ccccc1CC(=O)OCCOc1ccccc1-c1nnn[n-]1	ZINC000826382461	609244757	/nfs/dbraw/zinc/24/47/57/609244757.db2.gz	FUGHIBYEYCLTSI-UHFFFAOYSA-N	-1	3	363.377	2.097	20	30		FEEDHM
N#CCc1ccccc1CC(=O)OCCOc1ccccc1-c1nn[n-]n1	ZINC000826382461	609244758	/nfs/dbraw/zinc/24/47/58/609244758.db2.gz	FUGHIBYEYCLTSI-UHFFFAOYSA-N	-1	3	363.377	2.097	20	30		FEEDHM
Cc1cc(NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)nn1CCC#N	ZINC000826270423	609274556	/nfs/dbraw/zinc/27/45/56/609274556.db2.gz	ZLBBWAKTGRFMOD-GFCCVEGCSA-N	-1	3	365.401	2.168	20	30		FEEDHM
Cc1cc(NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)nn1CCC#N	ZINC000826270423	609274557	/nfs/dbraw/zinc/27/45/57/609274557.db2.gz	ZLBBWAKTGRFMOD-GFCCVEGCSA-N	-1	3	365.401	2.168	20	30		FEEDHM
C=CC[C@@H](C)NC(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1	ZINC000823888321	609357132	/nfs/dbraw/zinc/35/71/32/609357132.db2.gz	IVEXMYVKJKGIKH-SNVBAGLBSA-N	-1	3	356.365	2.278	20	30		FEEDHM
C=CC[C@H](C)NC(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1	ZINC000823888320	609357317	/nfs/dbraw/zinc/35/73/17/609357317.db2.gz	IVEXMYVKJKGIKH-JTQLQIEISA-N	-1	3	356.365	2.278	20	30		FEEDHM
O=S(=O)(Cc1ccccc1)[N-]N=Cc1ncc(Br)s1	ZINC000814816564	674881878	/nfs/dbraw/zinc/88/18/78/674881878.db2.gz	QEKUXSCAILEXLE-UHFFFAOYSA-N	-1	3	360.258	2.359	20	30		FEEDHM
O=S(=O)(CCc1ccccc1)[N-]N=C1COc2cc(F)cc(F)c21	ZINC000814859838	674884789	/nfs/dbraw/zinc/88/47/89/674884789.db2.gz	CARAHKLPCAJNHV-UHFFFAOYSA-N	-1	3	352.362	2.223	20	30		FEEDHM
COCc1nc(Cl)cc(N=NCc2cc(OC)c([O-])c([N+](=O)[O-])c2)n1	ZINC000814976649	674891838	/nfs/dbraw/zinc/89/18/38/674891838.db2.gz	ZDGUEJLYGLVQOY-UHFFFAOYSA-N	-1	3	367.749	2.345	20	30		FEEDHM
CCN(CC)c1nc2sc(C(=O)N[C@@H]3CCCN([O-])C3=O)cc2s1	ZINC000816755064	675077715	/nfs/dbraw/zinc/07/77/15/675077715.db2.gz	SCJSYHBOCFFOGC-SECBINFHSA-N	-1	3	368.484	2.314	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2cnn(CCC)c2)ccc1F	ZINC000080733160	670629429	/nfs/dbraw/zinc/62/94/29/670629429.db2.gz	VXQGAESJVDUYPW-UHFFFAOYSA-N	-1	3	366.418	2.149	20	30		FEEDHM
COC(=O)c1ccc(CS(=O)(=O)[N-][C@H](C#N)C2CCCCC2)cc1	ZINC000572450334	671002775	/nfs/dbraw/zinc/00/27/75/671002775.db2.gz	HILOPYMNMIFUPY-MRXNPFEDSA-N	-1	3	350.440	2.365	20	30		FEEDHM
CCC[C@@H](C#N)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1	ZINC000608816163	675904526	/nfs/dbraw/zinc/90/45/26/675904526.db2.gz	GSJPAUGKVKCRPQ-NSHDSACASA-N	-1	3	364.402	2.377	20	30		FEEDHM
COC(=O)c1ccc(S(=O)(=O)[N-][C@]2(C#N)CCC[C@@H](C)C2)c(F)c1	ZINC000577160051	671420972	/nfs/dbraw/zinc/42/09/72/671420972.db2.gz	GSHQAAPUGPUOBK-BDJLRTHQSA-N	-1	3	354.403	2.363	20	30		FEEDHM
COc1cc(Br)c(F)cc1S(=O)(=O)[N-]CC1(C#N)CC1	ZINC000577814229	671621322	/nfs/dbraw/zinc/62/13/22/671621322.db2.gz	BSCWYDIQLUWNOX-UHFFFAOYSA-N	-1	3	363.208	2.179	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(O)c2)ccc1F	ZINC000158636748	672271302	/nfs/dbraw/zinc/27/13/02/672271302.db2.gz	VUQLZLFCBIWHCL-UHFFFAOYSA-N	-1	3	350.371	2.248	20	30		FEEDHM
C=C(C)CN(C)S(=O)(=O)c1ccc([N-]S(=O)(=O)CCCC)cc1	ZINC000183285742	672464941	/nfs/dbraw/zinc/46/49/41/672464941.db2.gz	KHEAEIHUANVQIT-UHFFFAOYSA-N	-1	3	360.501	2.425	20	30		FEEDHM
COc1cc2c(cc1C[N-]S(=O)(=O)c1ccsc1C#N)O[C@@H](C)C2	ZINC000593565129	672945212	/nfs/dbraw/zinc/94/52/12/672945212.db2.gz	FJRNXHUFVQHGPU-JTQLQIEISA-N	-1	3	364.448	2.430	20	30		FEEDHM
C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1ccc(C(=O)OCC)cc1F	ZINC000593590024	672952452	/nfs/dbraw/zinc/95/24/52/672952452.db2.gz	CFGTXXUZAUBBSS-CZUORRHYSA-N	-1	3	371.430	2.262	20	30		FEEDHM
CC[C@@H](NC(=O)[C@H](C)[N-]S(=O)(=O)c1c(C)noc1C)C1CCOCC1	ZINC000329942560	673084893	/nfs/dbraw/zinc/08/48/93/673084893.db2.gz	HGWHZTWPLPYZBF-SMDDNHRTSA-N	-1	3	373.475	2.120	20	30		FEEDHM
COc1cc(C=NNc2ccccc2S(C)(=O)=O)c([N+](=O)[O-])cc1[O-]	ZINC000731933237	673348619	/nfs/dbraw/zinc/34/86/19/673348619.db2.gz	IVJMRWZHUSIKBM-UHFFFAOYSA-N	-1	3	365.367	2.159	20	30		FEEDHM
CCc1cnccc1[C@@H](C)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000539118522	673475188	/nfs/dbraw/zinc/47/51/88/673475188.db2.gz	MSJPRIFBCSQPER-LLVKDONJSA-N	-1	3	360.395	2.463	20	30		FEEDHM
C[C@H](C(=O)Nc1ccccc1C(F)(F)F)n1ccc(C=N[O-])nc1=O	ZINC000736302819	673519192	/nfs/dbraw/zinc/51/91/92/673519192.db2.gz	SLSCCDBDTYZGAH-SECBINFHSA-N	-1	3	354.288	2.270	20	30		FEEDHM
Cc1ccc(NC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1	ZINC000742464656	673728805	/nfs/dbraw/zinc/72/88/05/673728805.db2.gz	LZVGTXGWBJNUCO-ZDUSSCGKSA-N	-1	3	357.435	2.451	20	30		FEEDHM
Cc1c(C([O-])=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)nnn1C	ZINC000744032797	673779822	/nfs/dbraw/zinc/77/98/22/673779822.db2.gz	IMAQMPOGYHEWKG-NSHDSACASA-N	-1	3	352.181	2.392	20	30		FEEDHM
CC(C)(C(=O)N[C@H]1CCN([O-])C1=O)[C@H](O)c1cc(Cl)cc(Cl)c1	ZINC000820127676	675337852	/nfs/dbraw/zinc/33/78/52/675337852.db2.gz	ONFMQXGNTJYZPH-NWDGAFQWSA-N	-1	3	361.225	2.159	20	30		FEEDHM
O=C(N[C@H]1CCN([O-])C1=O)c1cnc(OC2CCCCC2)c(Cl)c1	ZINC000820137031	675338862	/nfs/dbraw/zinc/33/88/62/675338862.db2.gz	JOCLUOFBFURCCQ-ZDUSSCGKSA-N	-1	3	353.806	2.166	20	30		FEEDHM
O=C(N[C@H]1CCCN([O-])C1=O)c1cc2ccc(Br)cc2[nH]1	ZINC000820482712	675365340	/nfs/dbraw/zinc/36/53/40/675365340.db2.gz	QMEBNKYOILHYCY-JTQLQIEISA-N	-1	3	352.188	2.040	20	30		FEEDHM
CC(=NNc1cccc(S(C)(=O)=O)c1)c1ccc(-c2nnn[n-]2)cc1	ZINC000823961827	675577931	/nfs/dbraw/zinc/57/79/31/675577931.db2.gz	AFADOLKLEIBHHN-UHFFFAOYSA-N	-1	3	356.411	2.106	20	30		FEEDHM
CC(=NNc1cccc(S(C)(=O)=O)c1)c1ccc(-c2nn[n-]n2)cc1	ZINC000823961827	675577933	/nfs/dbraw/zinc/57/79/33/675577933.db2.gz	AFADOLKLEIBHHN-UHFFFAOYSA-N	-1	3	356.411	2.106	20	30		FEEDHM
C=C(CC)C[N-]S(=O)(=O)c1c(C)nn2cc(Br)cnc12	ZINC000632425874	676993415	/nfs/dbraw/zinc/99/34/15/676993415.db2.gz	IRVCEYFHYDMUPC-UHFFFAOYSA-N	-1	3	359.249	2.045	20	30		FEEDHM
CC(C)CC1CCN(C(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)CC1	ZINC000760939678	680705492	/nfs/dbraw/zinc/70/54/92/680705492.db2.gz	MRIUOHLRKYZTMA-UHFFFAOYSA-N	-1	3	363.483	2.010	20	30		FEEDHM
C[C@@H]1CC(=NC(=O)c2[n-]nc3ccc(I)cc32)NO1	ZINC000765368502	680840404	/nfs/dbraw/zinc/84/04/04/680840404.db2.gz	MZHKJQMMIWRXOO-ZCFIWIBFSA-N	-1	3	370.150	2.020	20	30		FEEDHM
O=S(=O)(NC1CC1)c1ccc(N=NCc2c([O-])cccc2Cl)nc1	ZINC000755635653	680425725	/nfs/dbraw/zinc/42/57/25/680425725.db2.gz	COXZCMQTNUAZSW-UHFFFAOYSA-N	-1	3	366.830	2.327	20	30		FEEDHM
CC(C)[N-]S(=O)(=O)c1cc(C(=O)OCC2(C#N)CCC2)ccc1F	ZINC000837421845	680600633	/nfs/dbraw/zinc/60/06/33/680600633.db2.gz	ZCJWQZPTAXJMKM-UHFFFAOYSA-N	-1	3	354.403	2.363	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCC[C@@H]3C[C@@H]32)ccc1F	ZINC000838259277	680681892	/nfs/dbraw/zinc/68/18/92/680681892.db2.gz	BXSGRVDBBJRMST-OSAQELSMSA-N	-1	3	352.431	2.208	20	30		FEEDHM
C[C@@H](CC(=O)N1CCCC12CCC2)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000769662364	680990703	/nfs/dbraw/zinc/99/07/03/680990703.db2.gz	AFYMEXRTEIMLGK-ZDUSSCGKSA-N	-1	3	361.467	2.049	20	30		FEEDHM
C#CC[C@H]1CCCN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]CC=C)c2)C1	ZINC000843678374	681013233	/nfs/dbraw/zinc/01/32/33/681013233.db2.gz	LQRCRUBGKCNXSX-AWEZNQCLSA-N	-1	3	364.442	2.166	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N(CC)CCSC)ccc1F	ZINC000843747444	681016590	/nfs/dbraw/zinc/01/65/90/681016590.db2.gz	JVYNGOKDEQMMHA-UHFFFAOYSA-N	-1	3	360.476	2.115	20	30		FEEDHM
CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N1CC[C@@H]1CC	ZINC000843894031	681024375	/nfs/dbraw/zinc/02/43/75/681024375.db2.gz	AGQZHNIVIBSXAV-ZFWWWQNUSA-N	-1	3	363.483	2.295	20	30		FEEDHM
C#CCSCC[N-]S(=O)(=O)c1cc(F)ccc1Br	ZINC000771948720	681075181	/nfs/dbraw/zinc/07/51/81/681075181.db2.gz	DJQGLUQJTAEXKX-UHFFFAOYSA-N	-1	3	352.250	2.233	20	30		FEEDHM
CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1ccc(N)c(Cl)c1[O-]	ZINC000845192921	681109953	/nfs/dbraw/zinc/10/99/53/681109953.db2.gz	IIDMDSAUPQJYEJ-FVMDXXJSSA-N	-1	3	353.806	2.228	20	30		FEEDHM
C[C@H](CC(=O)N1CCCC[C@@H](C)C1)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000773914962	681159917	/nfs/dbraw/zinc/15/99/17/681159917.db2.gz	IOXDXYDGVBGIBS-ZIAGYGMSSA-N	-1	3	363.483	2.152	20	30		FEEDHM
CC(C)(C#N)c1ccc(S(=O)(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1	ZINC000845910967	681161578	/nfs/dbraw/zinc/16/15/78/681161578.db2.gz	JMSWRLZEPUZDFH-UHFFFAOYSA-N	-1	3	373.360	2.103	20	30		FEEDHM
C[C@@](NC(=O)N[C@@H]1CCCN([O-])C1=O)(c1ccc(F)cc1)C(F)(F)F	ZINC000933551477	681431370	/nfs/dbraw/zinc/43/13/70/681431370.db2.gz	XYLBSMWHJUFLIA-BXUZGUMPSA-N	-1	3	363.311	2.283	20	30		FEEDHM
O=C(CCc1ccc(Br)cc1F)N[C@@H]1CCCN([O-])C1=O	ZINC000848138620	681478621	/nfs/dbraw/zinc/47/86/21/681478621.db2.gz	OQGTUVQIDJMXMF-GFCCVEGCSA-N	-1	3	359.195	2.017	20	30		FEEDHM
Cc1ncc(CO)c(C=Nc2ccc(NS(C)(=O)=O)c(Cl)c2)c1[O-]	ZINC000912961787	685467986	/nfs/dbraw/zinc/46/79/86/685467986.db2.gz	GIWXXVVHNXEDEE-UHFFFAOYSA-N	-1	3	369.830	2.363	20	30		FEEDHM
CCOc1cc(C=NNC(=S)NC[C@H]2CCCO2)cc(Cl)c1[O-]	ZINC000916311313	685523528	/nfs/dbraw/zinc/52/35/28/685523528.db2.gz	ANXYBLKEULURMH-LLVKDONJSA-N	-1	3	357.863	2.421	20	30		FEEDHM
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](NC(=O)c2ccccc2[O-])[C@H](OC)C1	ZINC000941248431	682116564	/nfs/dbraw/zinc/11/65/64/682116564.db2.gz	LZZJNICPSZMEEN-UKRRQHHQSA-N	-1	3	366.845	2.127	20	30		FEEDHM
C=C(Cl)COC(=O)[C@H](CC(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000916616802	685526217	/nfs/dbraw/zinc/52/62/17/685526217.db2.gz	PYPBOISHTYGSFG-ZDUSSCGKSA-N	-1	3	370.858	2.436	20	30		FEEDHM
Cc1nc(SCC(C)C)sc1CC(=O)N[C@@H]1CCCN([O-])C1=O	ZINC000854648652	682575078	/nfs/dbraw/zinc/57/50/78/682575078.db2.gz	HFXHYVMIDLMBMT-LLVKDONJSA-N	-1	3	357.501	2.239	20	30		FEEDHM
COc1ccccc1-c1noc([C@@H](C)[N-]S(=O)(=O)CC(C)(C)C#N)n1	ZINC000790029309	682648985	/nfs/dbraw/zinc/64/89/85/682648985.db2.gz	JYOLIEWYIZHLOY-LLVKDONJSA-N	-1	3	364.427	2.275	20	30		FEEDHM
CC[C@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2cccc(F)c2C#N)n[nH]1	ZINC000792784935	682840243	/nfs/dbraw/zinc/84/02/43/682840243.db2.gz	SRGMBWHEDROXGY-UWVGGRQHSA-N	-1	3	351.407	2.368	20	30		FEEDHM
CS(=O)(=O)c1cc(C([O-])=C(C#N)C(=O)Nc2ccccc2)ccc1F	ZINC000793126166	682865742	/nfs/dbraw/zinc/86/57/42/682865742.db2.gz	SBSDXMUIOAFQKK-CYBMUJFWSA-N	-1	3	360.366	2.190	20	30		FEEDHM
C#CC[C@@H](COC)[N-]S(=O)(=O)c1cccc(Cl)c1Br	ZINC000859429617	683108582	/nfs/dbraw/zinc/10/85/82/683108582.db2.gz	GPIVHZSGKYBGKA-VIFPVBQESA-N	-1	3	366.664	2.419	20	30		FEEDHM
COC(=O)[C@@H]([N-]S(=O)(=O)CCCC#N)c1ccc(C(F)(F)F)cc1	ZINC000921853104	683593078	/nfs/dbraw/zinc/59/30/78/683593078.db2.gz	DSUUWYOYXYURGI-LBPRGKRZSA-N	-1	3	364.345	2.143	20	30		FEEDHM
C=CCCS(=O)(=O)[N-][C@@H](C(=O)OC)c1ccc(C(F)(F)F)cc1	ZINC000921854935	683595121	/nfs/dbraw/zinc/59/51/21/683595121.db2.gz	QQSMPMXDYBXCMQ-GFCCVEGCSA-N	-1	3	351.346	2.415	20	30		FEEDHM
CO[C@H](C)c1nc(C[N-]S(=O)(=O)c2cc(F)cc(C#N)c2)cs1	ZINC000866937074	684183288	/nfs/dbraw/zinc/18/32/88/684183288.db2.gz	DZINDFNZMGQURZ-SECBINFHSA-N	-1	3	355.416	2.340	20	30		FEEDHM
CO[C@@H](C)c1nc(C[N-]S(=O)(=O)c2cc(F)cc(C#N)c2)cs1	ZINC000866937076	684183336	/nfs/dbraw/zinc/18/33/36/684183336.db2.gz	DZINDFNZMGQURZ-VIFPVBQESA-N	-1	3	355.416	2.340	20	30		FEEDHM
C=C(Cl)C[C@@H]([N-]S(=O)(=O)c1cccc(OC)c1F)C(=O)OCC	ZINC000867590265	684323397	/nfs/dbraw/zinc/32/33/97/684323397.db2.gz	YDAZBTBDWHFCQK-SNVBAGLBSA-N	-1	3	365.810	2.187	20	30		FEEDHM
C=C(Cl)C[C@H]([N-]S(=O)(=O)c1cccnc1Cl)C(=O)OCC	ZINC000867592225	684324359	/nfs/dbraw/zinc/32/43/59/684324359.db2.gz	VHGBOYDQXKWYAT-VIFPVBQESA-N	-1	3	353.227	2.088	20	30		FEEDHM
O=C(N[C@@H]1CCCN([O-])C1=O)c1ccc(Cl)cc1NCC(F)(F)F	ZINC000868561982	684511796	/nfs/dbraw/zinc/51/17/96/684511796.db2.gz	AZPYCGUODCUKKF-SNVBAGLBSA-N	-1	3	365.739	2.424	20	30		FEEDHM
C=C[C@](C)(O)C(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21	ZINC000871318233	684805285	/nfs/dbraw/zinc/80/52/85/684805285.db2.gz	XGCSKWZMFZSNOZ-ZBEGNZNMSA-N	-1	3	356.344	2.122	20	30		FEEDHM
C[C@@H]1C(N=Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)CCN1C	ZINC000872355610	684939538	/nfs/dbraw/zinc/93/95/38/684939538.db2.gz	YLWLMXXEQUQARM-LLVKDONJSA-N	-1	3	365.484	2.436	20	30		FEEDHM
COCc1c(Br)cccc1NC(=O)N[C@H]1CCCN([O-])C1=O	ZINC000878530328	686602622	/nfs/dbraw/zinc/60/26/22/686602622.db2.gz	SATIHELGOGPCDF-LBPRGKRZSA-N	-1	3	372.219	2.097	20	30		FEEDHM
C=C(C)C[C@H](CO)[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F	ZINC000882846178	687511809	/nfs/dbraw/zinc/51/18/09/687511809.db2.gz	HBROMXKYWXVXSV-SECBINFHSA-N	-1	3	357.325	2.330	20	30		FEEDHM
C=C(C)C[C@H](CO)[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1	ZINC000882846968	687512108	/nfs/dbraw/zinc/51/21/08/687512108.db2.gz	YWZNMDMQFDEQSR-MRVPVSSYSA-N	-1	3	369.668	2.103	20	30		FEEDHM
CN(C)c1nc(CN[C@@H]2CCCN([O-])C2=O)c(Cl)n1-c1ccccc1	ZINC000895158464	689669387	/nfs/dbraw/zinc/66/93/87/689669387.db2.gz	JRJMNJIDCAFNDG-CYBMUJFWSA-N	-1	3	363.849	2.062	20	30		FEEDHM
C[C@@H](CC(=O)N([O-])CCCN1C(=O)c2ccccc2C1=O)C(F)(F)F	ZINC000904186216	691011082	/nfs/dbraw/zinc/01/10/82/691011082.db2.gz	RFIICGKGLSSYLO-JTQLQIEISA-N	-1	3	358.316	2.479	20	30		FEEDHM
C[C@@](O)(C[N-]S(=O)(=O)c1c(C#N)sc2ccccc21)C(F)(F)F	ZINC000907080081	691389733	/nfs/dbraw/zinc/38/97/33/691389733.db2.gz	YZLDSDUGAHGUER-GFCCVEGCSA-N	-1	3	364.370	2.365	20	30		FEEDHM
CC(=O)NCc1ccc(S(=O)(=O)[N-][C@@H](C)c2ccc(C#N)cc2)s1	ZINC000042166938	540054575	/nfs/dbraw/zinc/05/45/75/540054575.db2.gz	XVQSGIRHOVFVPY-NSHDSACASA-N	-1	3	363.464	2.295	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(CN(C)C)c1	ZINC000047453562	540312066	/nfs/dbraw/zinc/31/20/66/540312066.db2.gz	HLCGPEJKLUSFAS-UHFFFAOYSA-N	-1	3	352.438	2.496	20	30		FEEDHM
C[C@]1(c2ccc(NC(=O)CCc3ccc(C#N)cc3)cc2)NC(=O)[N-]C1=O	ZINC000048167400	540348539	/nfs/dbraw/zinc/34/85/39/540348539.db2.gz	AIUGNOSTNYJVHV-HXUWFJFHSA-N	-1	3	362.389	2.184	20	30		FEEDHM
N#CC(=C([O-])c1ccoc1)c1nnc(N2CCOCC2)n1-c1ccccc1	ZINC000054728132	540606150	/nfs/dbraw/zinc/60/61/50/540606150.db2.gz	YUZWMGUHWGPBGG-INIZCTEOSA-N	-1	3	363.377	2.187	20	30		FEEDHM
C=CCOC(=O)c1sc2[n-]c(CC(=O)NCCCC)nc(=O)c2c1C	ZINC000055502891	540655663	/nfs/dbraw/zinc/65/56/63/540655663.db2.gz	IRDWGJHPORIQEV-UHFFFAOYSA-N	-1	3	363.439	2.095	20	30		FEEDHM
COCCOc1ccccc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C	ZINC000057273237	540784702	/nfs/dbraw/zinc/78/47/02/540784702.db2.gz	TVGOJVKFFUEHAU-UHFFFAOYSA-N	-1	3	369.421	2.460	20	30		FEEDHM
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CCc1c(C)nc(C)[n-]c1=O	ZINC000062887767	541154543	/nfs/dbraw/zinc/15/45/43/541154543.db2.gz	XQYAHDNZVLWZOS-UHFFFAOYSA-N	-1	3	370.409	2.442	20	30		FEEDHM
N#Cc1ccc(N2CCC[C@H](NC(=O)c3ccc4n[n-]nc4c3)C2)c(F)c1	ZINC000068532954	541604722	/nfs/dbraw/zinc/60/47/22/541604722.db2.gz	VBPPXLCNITWOEF-AWEZNQCLSA-N	-1	3	364.384	2.367	20	30		FEEDHM
C[C@H](NC(=O)CCn1[n-]c(=O)c2ccccc2c1=O)c1cccc(C#N)c1	ZINC000075266650	542165478	/nfs/dbraw/zinc/16/54/78/542165478.db2.gz	DWBMCTVAEXCFRA-ZDUSSCGKSA-N	-1	3	362.389	2.241	20	30		FEEDHM
CC(C)(C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1ccncc1	ZINC000092263642	542852534	/nfs/dbraw/zinc/85/25/34/542852534.db2.gz	OGXYUCCHUICABI-UHFFFAOYSA-N	-1	3	360.395	2.118	20	30		FEEDHM
C=CCNC(=O)c1ccccc1NCc1nc(C(F)(F)F)cc(=O)[n-]1	ZINC000092215163	542849081	/nfs/dbraw/zinc/84/90/81/542849081.db2.gz	ZCFDPECFBXRKKU-UHFFFAOYSA-N	-1	3	352.316	2.317	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCN(C)Cc2ccccc21	ZINC000103411594	543106276	/nfs/dbraw/zinc/10/62/76/543106276.db2.gz	OONMSQRSTAEGGI-UHFFFAOYSA-N	-1	3	364.449	2.275	20	30		FEEDHM
CCC(CC)CN(CCC#N)C(=O)CCn1[n-]c(=O)c2ccccc2c1=O	ZINC000104543838	543133951	/nfs/dbraw/zinc/13/39/51/543133951.db2.gz	SXOWDIPAHSXXGD-UHFFFAOYSA-N	-1	3	370.453	2.258	20	30		FEEDHM
N#C[C@@H](NC(=O)C[N-]S(=O)(=O)c1cccs1)c1ccc(Cl)cc1	ZINC000106420567	543229942	/nfs/dbraw/zinc/22/99/42/543229942.db2.gz	IWUFNWGNQINCGT-GFCCVEGCSA-N	-1	3	369.855	2.061	20	30		FEEDHM
CC[C@@H](C)[C@@H]([N-]S(C)(=O)=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1	ZINC000114233560	543508822	/nfs/dbraw/zinc/50/88/22/543508822.db2.gz	ISUVIYKWDMKCQP-IUODEOHRSA-N	-1	3	351.472	2.390	20	30		FEEDHM
C[C@H]1CCC[C@@](C#N)(NC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)C1	ZINC000116805139	543616555	/nfs/dbraw/zinc/61/65/55/543616555.db2.gz	YJPABSFFPHWFRM-MEDUHNTESA-N	-1	3	353.419	2.399	20	30		FEEDHM
C=CC[C@@H](C)NC(=O)c1cc(C(C)C)nc2c1c(=O)[n-]c(=O)n2CCC	ZINC000116855862	543617501	/nfs/dbraw/zinc/61/75/01/543617501.db2.gz	AQOKCRINDMJYAM-GFCCVEGCSA-N	-1	3	358.442	2.313	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]Cc2cccc3c2OCCCO3)c(F)c1	ZINC000125456766	543882833	/nfs/dbraw/zinc/88/28/33/543882833.db2.gz	MMDYCLQZQIXHOA-UHFFFAOYSA-N	-1	3	362.382	2.337	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1nc(C2CC2)cs1	ZINC000127738339	544010736	/nfs/dbraw/zinc/01/07/36/544010736.db2.gz	CMDPEKVPGFXSQF-UHFFFAOYSA-N	-1	3	356.451	2.446	20	30		FEEDHM
COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@]1(C#N)CCC[C@H](C)C1	ZINC000130488006	544153240	/nfs/dbraw/zinc/15/32/40/544153240.db2.gz	XZGGFITZEQLFLY-ZBEGNZNMSA-N	-1	3	354.403	2.363	20	30		FEEDHM
C=C(C)COCC[N-]S(=O)(=O)c1cc(Br)ccc1F	ZINC000133079155	544254723	/nfs/dbraw/zinc/25/47/23/544254723.db2.gz	GYBXMHSHYBGQSZ-UHFFFAOYSA-N	-1	3	352.225	2.459	20	30		FEEDHM
CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3ccc(C#N)cc3F)cc21	ZINC000135372156	544344060	/nfs/dbraw/zinc/34/40/60/544344060.db2.gz	FILFHMOMJANNRP-UHFFFAOYSA-N	-1	3	359.382	2.407	20	30		FEEDHM
CC(C)C[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)C(=O)OC(C)C	ZINC000151193750	544515310	/nfs/dbraw/zinc/51/53/10/544515310.db2.gz	ONEOARCCMFIHOG-AWEZNQCLSA-N	-1	3	356.419	2.342	20	30		FEEDHM
N#CCCN(CCN1CCOCC1)Cc1cc([O-])ccc1Br	ZINC000154804151	544951682	/nfs/dbraw/zinc/95/16/82/544951682.db2.gz	UUUJQIVMBWAPPE-UHFFFAOYSA-N	-1	3	368.275	2.203	20	30		FEEDHM
N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1	ZINC000185500180	327919694	/nfs/dbraw/zinc/91/96/94/327919694.db2.gz	HWXHQOJZYWXMAO-CQDKDKBSSA-N	-1	3	352.843	2.448	20	30		FEEDHM
Cc1ccccc1C[C@@H](CO)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl	ZINC000188266850	328076884	/nfs/dbraw/zinc/07/68/84/328076884.db2.gz	HJPZBWXCOYCFDW-HNNXBMFYSA-N	-1	3	364.854	2.402	20	30		FEEDHM
N#Cc1ccc(C(=O)NCc2ccccc2CN2CCC(O)CC2)cc1[O-]	ZINC000188601153	328097935	/nfs/dbraw/zinc/09/79/35/328097935.db2.gz	DWNRLHUSFAKDEI-UHFFFAOYSA-N	-1	3	365.433	2.151	20	30		FEEDHM
COC(=O)CC1([N-]S(=O)(=O)c2cccc(Cl)c2C#N)CCCC1	ZINC000193015422	328352180	/nfs/dbraw/zinc/35/21/80/328352180.db2.gz	LHXDICRTEPIIJL-UHFFFAOYSA-N	-1	3	356.831	2.366	20	30		FEEDHM
COc1cc(OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)ccc1C#N	ZINC000195170198	328459620	/nfs/dbraw/zinc/45/96/20/328459620.db2.gz	SGDUJBMKWKAOOJ-UHFFFAOYSA-N	-1	3	351.362	2.282	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-]Cc1ccc(Br)s1	ZINC000232462630	328488058	/nfs/dbraw/zinc/48/80/58/328488058.db2.gz	QTTHFVPYVQAHGE-UHFFFAOYSA-N	-1	3	358.242	2.256	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCc1cccc([N+](=O)[O-])c1	ZINC000089835941	325336485	/nfs/dbraw/zinc/33/64/85/325336485.db2.gz	SOQRJANJHYPDOX-UHFFFAOYSA-N	-1	3	368.393	2.063	20	30		FEEDHM
CC(C)CN1CCC[C@@H](C[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)C1	ZINC000120144509	326234092	/nfs/dbraw/zinc/23/40/92/326234092.db2.gz	FKKJHTIGFSQFKN-ZDUSSCGKSA-N	-1	3	371.453	2.483	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]CCOc2ccc(Cl)cn2)c(F)c1	ZINC000125603829	326474618	/nfs/dbraw/zinc/47/46/18/326474618.db2.gz	MYSOMJZFQOYJPR-UHFFFAOYSA-N	-1	3	355.778	2.103	20	30		FEEDHM
N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H]1[C@H]2CCO[C@@H]2C12CCC2	ZINC000155768801	326804324	/nfs/dbraw/zinc/80/43/24/326804324.db2.gz	RQNCHVNLBWKHBF-KMUNFCNLSA-N	-1	3	352.843	2.448	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H]([C@@H]1CCCO1)C(F)(F)F	ZINC000158901177	326911536	/nfs/dbraw/zinc/91/15/36/326911536.db2.gz	BFXWGQDGBJOKNE-ZFWWWQNUSA-N	-1	3	372.343	2.449	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)c(F)c1	ZINC000167288101	327084239	/nfs/dbraw/zinc/08/42/39/327084239.db2.gz	JWRJVQZCXJBZKP-WQVCFCJDSA-N	-1	3	350.415	2.323	20	30		FEEDHM
CC(=O)Nc1ccncc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C	ZINC000273357879	329858334	/nfs/dbraw/zinc/85/83/34/329858334.db2.gz	OCJXEHNGOAXTIO-UHFFFAOYSA-N	-1	3	353.382	2.200	20	30		FEEDHM
CC(C)C(=O)N1CCC([N-]S(=O)(=O)c2cccc(Cl)c2C#N)CC1	ZINC000156382593	545623249	/nfs/dbraw/zinc/62/32/49/545623249.db2.gz	MDBRBXQICGOGKO-UHFFFAOYSA-N	-1	3	369.874	2.137	20	30		FEEDHM
N#Cc1cc(N2CCN(C(=O)c3cccc([O-])c3)CC2)ccc1[N+](=O)[O-]	ZINC000157716758	545774296	/nfs/dbraw/zinc/77/42/96/545774296.db2.gz	KNACGTHCAOWMCS-UHFFFAOYSA-N	-1	3	352.350	2.134	20	30		FEEDHM
N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H](O)Cc1ccccc1	ZINC000161061705	546096981	/nfs/dbraw/zinc/09/69/81/546096981.db2.gz	ASVPQIWTXJIIPQ-HNNXBMFYSA-N	-1	3	350.827	2.094	20	30		FEEDHM
C=CCN1CCC([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)CC1	ZINC000172600675	546261146	/nfs/dbraw/zinc/26/11/46/546261146.db2.gz	VRQUAJIVVWPKQH-UHFFFAOYSA-N	-1	3	350.271	2.317	20	30		FEEDHM
COc1cccc(-c2noc([C@H](C)[N-]S(=O)(=O)CCCC#N)n2)c1	ZINC000174033128	546289993	/nfs/dbraw/zinc/28/99/93/546289993.db2.gz	VHXYSTHYUGMXMD-NSHDSACASA-N	-1	3	350.400	2.029	20	30		FEEDHM
Cc1ccc(C(=O)N2CCN(c3cccc(F)c3C#N)CC2)c([O-])c1O	ZINC000177671485	546664326	/nfs/dbraw/zinc/66/43/26/546664326.db2.gz	RDLKHHOLWRRBDH-UHFFFAOYSA-N	-1	3	355.369	2.379	20	30		FEEDHM
Cc1nc(C2([N-]S(=O)(=O)Cc3ccc(C#N)cc3F)CCCC2)no1	ZINC000481063812	561224263	/nfs/dbraw/zinc/22/42/63/561224263.db2.gz	VKNYPVYMMBKTMD-UHFFFAOYSA-N	-1	3	364.402	2.278	20	30		FEEDHM
C=CCOC[C@@H]([N-]S(=O)(=O)c1ccc(C(C)(C)C)s1)C(=O)OC	ZINC000481590621	561236860	/nfs/dbraw/zinc/23/68/60/561236860.db2.gz	FYMXOJVFOVOUCS-LLVKDONJSA-N	-1	3	361.485	2.068	20	30		FEEDHM
N#CC1(c2ccc(C(=O)NCCCNC(=O)c3cccc([O-])c3)cc2)CC1	ZINC000180735191	547169505	/nfs/dbraw/zinc/16/95/05/547169505.db2.gz	GYNWAQLKHBTUBG-UHFFFAOYSA-N	-1	3	363.417	2.497	20	30		FEEDHM
C=CCN(CC=C)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1	ZINC000180816378	547185664	/nfs/dbraw/zinc/18/56/64/547185664.db2.gz	XYXDHPOSHRHBQL-UHFFFAOYSA-N	-1	3	353.419	2.472	20	30		FEEDHM
Cn1cnc(-c2ccc(C([O-])=C(C#N)c3nnc4n3CCCCC4)cc2)n1	ZINC000182868488	547564159	/nfs/dbraw/zinc/56/41/59/547564159.db2.gz	RHMCCQSNDRZWSV-HNNXBMFYSA-N	-1	3	361.409	2.290	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]CCc2ccc3c(c2)OCO3)c(Cl)c1	ZINC000183427463	547656547	/nfs/dbraw/zinc/65/65/47/547656547.db2.gz	WHPNYQHQNLARIO-UHFFFAOYSA-N	-1	3	364.810	2.461	20	30		FEEDHM
COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(C(F)(F)F)c[nH]c1=O	ZINC000185636506	548012395	/nfs/dbraw/zinc/01/23/95/548012395.db2.gz	ABVPEFCUEYYRLV-UHFFFAOYSA-N	-1	3	373.312	2.075	20	30		FEEDHM
COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@]1(C#N)CCC[C@H](C)C1	ZINC000186579972	548154318	/nfs/dbraw/zinc/15/43/18/548154318.db2.gz	QVQQPGZVTZFIFZ-MEDUHNTESA-N	-1	3	354.403	2.363	20	30		FEEDHM
COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@]1(C#N)CCC[C@@H](C)C1	ZINC000186579948	548154791	/nfs/dbraw/zinc/15/47/91/548154791.db2.gz	QVQQPGZVTZFIFZ-BDJLRTHQSA-N	-1	3	354.403	2.363	20	30		FEEDHM
C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](CCCC#N)c2ccccc2)cn1	ZINC000487602357	561372574	/nfs/dbraw/zinc/37/25/74/561372574.db2.gz	KJTQRBBAVZNCIR-MRXNPFEDSA-N	-1	3	372.450	2.155	20	30		FEEDHM
COC(=O)[C@H](C)[C@@H]([N-]S(=O)(=O)c1cnc(C)c(C#N)c1)c1ccccc1	ZINC000489578106	561414562	/nfs/dbraw/zinc/41/45/62/561414562.db2.gz	AJXGVOIZTJJIPU-SJKOYZFVSA-N	-1	3	373.434	2.090	20	30		FEEDHM
C[C@@H](CN1CCC[C@H](C)C1)[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000249144667	549560190	/nfs/dbraw/zinc/56/01/90/549560190.db2.gz	GELVSELWBOTGLW-RYUDHWBXSA-N	-1	3	357.426	2.235	20	30		FEEDHM
C=CCN(CC=C)[C@H](CNC(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1)C(C)C	ZINC000263362183	549897550	/nfs/dbraw/zinc/89/75/50/549897550.db2.gz	SEJDBVRCEZLYRK-IXDOHACOSA-N	-1	3	351.491	2.437	20	30		FEEDHM
CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)[C@@H](C)CC#N)cc1	ZINC000265635014	550012850	/nfs/dbraw/zinc/01/28/50/550012850.db2.gz	GKFJEEBVIKPJBZ-ZDUSSCGKSA-N	-1	3	373.500	2.151	20	30		FEEDHM
CCCn1c(=O)[n-]c(=O)c2c(C(=O)N(CC)CCC#N)cc(C3CC3)nc21	ZINC000267910110	550035605	/nfs/dbraw/zinc/03/56/05/550035605.db2.gz	XOPVCMSTTWZZEH-UHFFFAOYSA-N	-1	3	369.425	2.160	20	30		FEEDHM
CC(C)c1nc([C@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)n[nH]1	ZINC000270543566	550282127	/nfs/dbraw/zinc/28/21/27/550282127.db2.gz	CRRVHBNOQGWEJP-VIFPVBQESA-N	-1	3	353.835	2.493	20	30		FEEDHM
CC(C)c1nc([C@@H](C)[N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)n[nH]1	ZINC000270557108	550283579	/nfs/dbraw/zinc/28/35/79/550283579.db2.gz	IDZZPCMSQHHPOY-SECBINFHSA-N	-1	3	353.835	2.493	20	30		FEEDHM
COC(=O)c1cccc2nc(NC(=O)COc3ccc(C#N)cc3)[n-]c21	ZINC000494128517	561463074	/nfs/dbraw/zinc/46/30/74/561463074.db2.gz	ZEVJELFHAZGYES-UHFFFAOYSA-N	-1	3	350.334	2.239	20	30		FEEDHM
COC(=O)c1cccc2[n-]c(NC(=O)COc3ccc(C#N)cc3)nc21	ZINC000494128517	561463075	/nfs/dbraw/zinc/46/30/75/561463075.db2.gz	ZEVJELFHAZGYES-UHFFFAOYSA-N	-1	3	350.334	2.239	20	30		FEEDHM
Cc1ccc([O-])c(NC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)n1	ZINC000273429843	550498374	/nfs/dbraw/zinc/49/83/74/550498374.db2.gz	DKVBNHGPVADPFO-UHFFFAOYSA-N	-1	3	350.382	2.198	20	30		FEEDHM
C=C(C)[C@@H](Cc1nc(-c2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)no1)OCC	ZINC000273649941	550506723	/nfs/dbraw/zinc/50/67/23/550506723.db2.gz	CWUBHQUQGCYUFS-KUHUBIRLSA-N	-1	3	370.409	2.315	20	30		FEEDHM
COC(=O)c1cc(OC)c(S(=O)(=O)[N-]C2(C#N)CCCCC2)s1	ZINC000274349181	550533903	/nfs/dbraw/zinc/53/39/03/550533903.db2.gz	JQAIKYNQYBKDOH-UHFFFAOYSA-N	-1	3	358.441	2.048	20	30		FEEDHM
COC(=O)[C@H]1C[C@H](C)CCN1C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C	ZINC000274817612	550557029	/nfs/dbraw/zinc/55/70/29/550557029.db2.gz	RODZFJZCUJVKQY-BDJLRTHQSA-N	-1	3	359.426	2.008	20	30		FEEDHM
O=S(=O)([N-]C[C@@H](O)C(F)(F)F)c1ccc(C(F)(F)F)cc1F	ZINC000275793443	550574568	/nfs/dbraw/zinc/57/45/68/550574568.db2.gz	OQJUPNFBLBOBOL-MRVPVSSYSA-N	-1	3	355.231	2.046	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-]C1(c2cccc(F)c2)CCOCC1	ZINC000277008766	550621396	/nfs/dbraw/zinc/62/13/96/550621396.db2.gz	LCLZOGHLMUCZHT-UHFFFAOYSA-N	-1	3	361.398	2.077	20	30		FEEDHM
N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CCOCC(F)(F)C(F)F)c1	ZINC000277469811	550674682	/nfs/dbraw/zinc/67/46/82/550674682.db2.gz	JXMXRLOXNKWRPL-UHFFFAOYSA-N	-1	3	374.743	2.407	20	30		FEEDHM
CCCCCNC(=O)Cc1noc(CCc2c(C)[n-]c(=O)c(C#N)c2C)n1	ZINC000277856726	550721880	/nfs/dbraw/zinc/72/18/80/550721880.db2.gz	GZFOEYMKEDZVET-UHFFFAOYSA-N	-1	3	371.441	2.293	20	30		FEEDHM
C=C(C)CS(=O)(=O)[N-][C@H](C(=O)OC)c1ccc(Br)cc1	ZINC000280503717	551001276	/nfs/dbraw/zinc/00/12/76/551001276.db2.gz	CYXDZGLUPONXKZ-LBPRGKRZSA-N	-1	3	362.245	2.159	20	30		FEEDHM
COc1cc(CN2CCN(C(=O)c3cccc([O-])c3)CC2)ccc1C#N	ZINC000282129293	551184612	/nfs/dbraw/zinc/18/46/12/551184612.db2.gz	BIXZFSYHIKOYFL-UHFFFAOYSA-N	-1	3	351.406	2.230	20	30		FEEDHM
CCNC(=O)C[C@@H]1CCCCN1C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C	ZINC000284780809	551631419	/nfs/dbraw/zinc/63/14/19/551631419.db2.gz	FEMATSGAPFDMLN-HNNXBMFYSA-N	-1	3	372.469	2.116	20	30		FEEDHM
CSC[C@@](C)(C#N)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl	ZINC000284940117	551672659	/nfs/dbraw/zinc/67/26/59/551672659.db2.gz	AMTPCGWCIINRIR-GFCCVEGCSA-N	-1	3	363.848	2.480	20	30		FEEDHM
N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@H]1CCC[C@@H]1CCO	ZINC000287229715	551978837	/nfs/dbraw/zinc/97/88/37/551978837.db2.gz	GHWZYOBJQWPQIK-MFKMUULPSA-N	-1	3	373.272	2.150	20	30		FEEDHM
C=CCN(CC=C)[C@@H](CNC(=O)/N=c1/ccnc2n(C)[n-]cc1-2)C(C)C	ZINC000287399612	551998971	/nfs/dbraw/zinc/99/89/71/551998971.db2.gz	GOCOEKHNWRXSFT-HEQHKCQXSA-N	-1	3	356.474	2.162	20	30		FEEDHM
CC(C)n1nccc1[C@H]1OCC[C@@H]1[N-]S(=O)(=O)Cc1ccc(C#N)cc1	ZINC000289280303	552294515	/nfs/dbraw/zinc/29/45/15/552294515.db2.gz	XEGDFOUXAVFGGV-WMZOPIPTSA-N	-1	3	374.466	2.285	20	30		FEEDHM
N#Cc1ccc(OCCN2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cc1	ZINC000289495631	552331185	/nfs/dbraw/zinc/33/11/85/552331185.db2.gz	PNUFCOSPPJYACO-AWEZNQCLSA-N	-1	3	355.360	2.328	20	30		FEEDHM
C=CCn1c(C2CC2)nnc1N1CCN(C(=O)c2ccc([O-])cc2)CC1	ZINC000290079152	552424115	/nfs/dbraw/zinc/42/41/15/552424115.db2.gz	CTQPBEPSOBKULO-UHFFFAOYSA-N	-1	3	353.426	2.010	20	30		FEEDHM
C=C(C)[C@@H](CC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1)OCC	ZINC000291128634	552590513	/nfs/dbraw/zinc/59/05/13/552590513.db2.gz	NZTDHYIBDWLNGR-QWHCGFSZSA-N	-1	3	350.381	2.275	20	30		FEEDHM
CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@]2(C#N)CC2(C)C)ccc1F	ZINC000291438952	552624550	/nfs/dbraw/zinc/62/45/50/552624550.db2.gz	MQAOYFVZTHGULN-KRWDZBQOSA-N	-1	3	367.446	2.325	20	30		FEEDHM
Cc1nnsc1C[N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1	ZINC000291622056	552644280	/nfs/dbraw/zinc/64/42/80/552644280.db2.gz	CHLQSZHHVJSLKS-UHFFFAOYSA-N	-1	3	362.358	2.216	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCOC[C@@H](C2CCC2)C1	ZINC000292117356	552695364	/nfs/dbraw/zinc/69/53/64/552695364.db2.gz	GHZCUCAGYMDJRU-INIZCTEOSA-N	-1	3	357.454	2.483	20	30		FEEDHM
CC#CCN(C)C(=O)C(=O)[N-]c1scc(CC(C)C)c1C(=O)OC	ZINC000293392335	552818687	/nfs/dbraw/zinc/81/86/87/552818687.db2.gz	JDFXQUCNFFBTTA-UHFFFAOYSA-N	-1	3	350.440	2.153	20	30		FEEDHM
CC#CCN(C)C(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1	ZINC000294645063	552923281	/nfs/dbraw/zinc/92/32/81/552923281.db2.gz	SYNQRGJULBTJHS-UHFFFAOYSA-N	-1	3	357.435	2.434	20	30		FEEDHM
COC(=O)c1cc(S(=O)(=O)[N-][C@H]2CC[C@@H](CC#N)C2)cc(F)c1F	ZINC000295742878	553053008	/nfs/dbraw/zinc/05/30/08/553053008.db2.gz	NQBUHGXMJSHNQC-UWVGGRQHSA-N	-1	3	358.366	2.112	20	30		FEEDHM
Cc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)nn1-c1cccc(C#N)c1	ZINC000503057180	561633416	/nfs/dbraw/zinc/63/34/16/561633416.db2.gz	IWOWZYDFOXPBSB-UHFFFAOYSA-N	-1	3	370.376	2.485	20	30		FEEDHM
Cc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)nn1-c1cccc(C#N)c1	ZINC000503057180	561633417	/nfs/dbraw/zinc/63/34/17/561633417.db2.gz	IWOWZYDFOXPBSB-UHFFFAOYSA-N	-1	3	370.376	2.485	20	30		FEEDHM
O=C([N-]CC(F)(F)F)C(=O)Nc1ccc(OCC(F)(F)F)c(F)c1	ZINC000504289554	561655693	/nfs/dbraw/zinc/65/56/93/561655693.db2.gz	MVIMTLPOUCMSEI-UHFFFAOYSA-N	-1	3	362.201	2.384	20	30		FEEDHM
N#Cc1cccc(C#N)c1N1CCC([N-]S(=O)(=O)c2cccs2)CC1	ZINC000302454539	553717241	/nfs/dbraw/zinc/71/72/41/553717241.db2.gz	QALXUJWYAXKFNA-UHFFFAOYSA-N	-1	3	372.475	2.439	20	30		FEEDHM
COc1ccc2c(c1)OC[C@@H]([N-]S(=O)(=O)CC1(C#N)CCCCC1)C2	ZINC000330008966	554048480	/nfs/dbraw/zinc/04/84/80/554048480.db2.gz	FVWBDEGTMZXOSS-HNNXBMFYSA-N	-1	3	364.467	2.392	20	30		FEEDHM
C[C@]1(c2cccc(C(=O)N[C@@H]3CCCn4ncnc43)c2)NC(=O)[N-]C1=O	ZINC000330223921	554088127	/nfs/dbraw/zinc/08/81/27/554088127.db2.gz	NHUYVQVDUJWCKE-SJKOYZFVSA-N	-1	3	354.370	2.217	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)N(C)C[C@H](C)C#N)c1nc(C2CCCCC2)no1	ZINC000330381639	554113989	/nfs/dbraw/zinc/11/39/89/554113989.db2.gz	IJNYOVALFFGQOB-VXGBXAGGSA-N	-1	3	355.464	2.104	20	30		FEEDHM
COCC[C@](C)(C#N)[N-]S(=O)(=O)Cc1ccc(Br)cc1	ZINC000508066316	561749908	/nfs/dbraw/zinc/74/99/08/561749908.db2.gz	BDQYMEKVRANYAA-CYBMUJFWSA-N	-1	3	361.261	2.187	20	30		FEEDHM
N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@H]1CCC[C@@H]1C#N	ZINC000330667861	554153964	/nfs/dbraw/zinc/15/39/64/554153964.db2.gz	JIAOBMCCHMUGDF-SKDRFNHKSA-N	-1	3	354.229	2.291	20	30		FEEDHM
Cc1ccc(C(=O)NCCC(=O)N2CCC(O)(C(F)F)CC2)c([O-])c1	ZINC000331245902	554235989	/nfs/dbraw/zinc/23/59/89/554235989.db2.gz	UPYCQJNSMCBTQH-UHFFFAOYSA-N	-1	3	356.369	2.014	20	30		FEEDHM
N#Cc1csc(CNCC[N-]S(=O)(=O)c2ccc(F)cc2Cl)c1	ZINC000509400588	561797842	/nfs/dbraw/zinc/79/78/42/561797842.db2.gz	FPEBTZXQUONPAX-UHFFFAOYSA-N	-1	3	373.862	2.480	20	30		FEEDHM
C[C@H](C#N)CN(C)C(=O)c1sccc1S(=O)(=O)[N-]Cc1ccco1	ZINC000510850305	561848427	/nfs/dbraw/zinc/84/84/27/561848427.db2.gz	CWKZCJPHFXLEMU-LLVKDONJSA-N	-1	3	367.452	2.051	20	30		FEEDHM
N#CCc1cccc(C(=O)NC2CCN(C(=O)c3cccc([O-])c3)CC2)c1	ZINC000362441885	554972497	/nfs/dbraw/zinc/97/24/97/554972497.db2.gz	MEASQFABUCYBAB-UHFFFAOYSA-N	-1	3	363.417	2.493	20	30		FEEDHM
CCc1ccc(C(=O)N2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)c([O-])c1	ZINC000364383231	555303452	/nfs/dbraw/zinc/30/34/52/555303452.db2.gz	ICFNBGYNAOUSLD-SZNDQCEHSA-N	-1	3	361.401	2.440	20	30		FEEDHM
C=CCOc1ccc(CNC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)cc1	ZINC000513557062	561942657	/nfs/dbraw/zinc/94/26/57/561942657.db2.gz	AVVILTLYRRARAY-UHFFFAOYSA-N	-1	3	351.362	2.457	20	30		FEEDHM
C=CCC1(NC(=O)C[N-]S(=O)(=O)c2ccccc2F)CCCCC1	ZINC000514732204	561976626	/nfs/dbraw/zinc/97/66/26/561976626.db2.gz	TUMDBBOINHOPJV-UHFFFAOYSA-N	-1	3	354.447	2.499	20	30		FEEDHM
Cc1ccc(C(=O)N2CCCN(c3ncccc3C#N)CC2)c([O-])c1O	ZINC000367983752	556188020	/nfs/dbraw/zinc/18/80/20/556188020.db2.gz	QORKYYUROKLPSU-UHFFFAOYSA-N	-1	3	352.394	2.025	20	30		FEEDHM
N#Cc1ccc(CN2CC[C@H](NC(=O)c3cc([O-])ccc3Cl)C2=O)cc1	ZINC000368111415	556221547	/nfs/dbraw/zinc/22/15/47/556221547.db2.gz	XYUNEGOHJWRMPI-KRWDZBQOSA-N	-1	3	369.808	2.448	20	30		FEEDHM
N#Cc1ccc(CN2CC[C@@H](NC(=O)c3cc([O-])ccc3Cl)C2=O)cc1	ZINC000368111416	556221566	/nfs/dbraw/zinc/22/15/66/556221566.db2.gz	XYUNEGOHJWRMPI-QGZVFWFLSA-N	-1	3	369.808	2.448	20	30		FEEDHM
N#CC1CCC(CNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])CC1	ZINC000368526940	556335878	/nfs/dbraw/zinc/33/58/78/556335878.db2.gz	JRUFCHDGYBNCIU-DQPZFDDXSA-N	-1	3	355.438	2.443	20	30		FEEDHM
COc1ccccc1N1CC[C@H]([N-]S(=O)(=O)c2ccc(C#N)s2)C1	ZINC000368536187	556338460	/nfs/dbraw/zinc/33/84/60/556338460.db2.gz	DELYYKNSJWILNT-LBPRGKRZSA-N	-1	3	363.464	2.186	20	30		FEEDHM
CC(C)(C#N)CCCN1CCC[C@@H](c2n[nH]cc2[N-]S(C)(=O)=O)C1	ZINC000371551286	557219976	/nfs/dbraw/zinc/21/99/76/557219976.db2.gz	DULNZYPVAUASII-CYBMUJFWSA-N	-1	3	353.492	2.291	20	30		FEEDHM
N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H](c1nc[nH]n1)c1ccccc1	ZINC000372882123	557581792	/nfs/dbraw/zinc/58/17/92/557581792.db2.gz	ZKKMWZYRUBGOSD-OAHLLOKOSA-N	-1	3	373.825	2.398	20	30		FEEDHM
CCOC(=O)C(CC)(CC)[N-]S(=O)(=O)Cc1ccc(CC#N)cc1	ZINC000520223248	562151101	/nfs/dbraw/zinc/15/11/01/562151101.db2.gz	RAHDRAPGBREOJS-UHFFFAOYSA-N	-1	3	352.456	2.294	20	30		FEEDHM
Cc1nc(C)c(CCC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)c(=O)[n-]1	ZINC000374365051	557872531	/nfs/dbraw/zinc/87/25/31/557872531.db2.gz	IZWKXCKVTBRQLL-GOSISDBHSA-N	-1	3	366.421	2.203	20	30		FEEDHM
N#CCc1cccc(C(=O)N2CC(S(=O)(=O)[N-]c3ccccc3)C2)c1	ZINC000374727169	557921892	/nfs/dbraw/zinc/92/18/92/557921892.db2.gz	BGULSMITZGDISJ-UHFFFAOYSA-N	-1	3	355.419	2.019	20	30		FEEDHM
CS(=O)(=O)[N-]c1c[nH]nc1[C@H]1CCCN(Cc2ccc(C#N)cc2)C1	ZINC000374823436	557936684	/nfs/dbraw/zinc/93/66/84/557936684.db2.gz	UXMULSWBALEHKP-HNNXBMFYSA-N	-1	3	359.455	2.032	20	30		FEEDHM
CC[C@@H](C)C[C@@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C(=O)OC	ZINC000522006126	562188925	/nfs/dbraw/zinc/18/89/25/562188925.db2.gz	VLXUWFOWRGDSMR-BDJLRTHQSA-N	-1	3	361.442	2.302	20	30		FEEDHM
N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)Nc3ccccc3[O-])C2=O)cc1	ZINC000523674675	562217437	/nfs/dbraw/zinc/21/74/37/562217437.db2.gz	KYXDZGBHXVMOPY-HNNXBMFYSA-N	-1	3	364.361	2.108	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]Cc2ccn(Cc3ccccc3)n2)s1	ZINC000390361278	558610982	/nfs/dbraw/zinc/61/09/82/558610982.db2.gz	NESWNPPKYWZECF-UHFFFAOYSA-N	-1	3	358.448	2.343	20	30		FEEDHM
C[C@]1(c2ccc(CNc3ccc(C#N)cc3[N+](=O)[O-])cc2)NC(=O)[N-]C1=O	ZINC000523863083	562221014	/nfs/dbraw/zinc/22/10/14/562221014.db2.gz	MWHCXJBBXOLQCU-GOSISDBHSA-N	-1	3	365.349	2.133	20	30		FEEDHM
Cc1nc(NC(=O)CNC(=O)c2ccc([O-])cc2)sc1SCC#N	ZINC000524236922	562225772	/nfs/dbraw/zinc/22/57/72/562225772.db2.gz	CAKPVUDWZKEFTK-UHFFFAOYSA-N	-1	3	362.436	2.141	20	30		FEEDHM
N#Cc1cccc([C@@H]2C[C@H]2C(=O)NCCCNC(=O)c2cccc([O-])c2)c1	ZINC000411827064	558971634	/nfs/dbraw/zinc/97/16/34/558971634.db2.gz	WWWNPTNEKXDTQP-RBUKOAKNSA-N	-1	3	363.417	2.304	20	30		FEEDHM
CC(C)[C@H](CCO)[N-]S(=O)(=O)c1cc(Br)ccc1C#N	ZINC000416407005	559310629	/nfs/dbraw/zinc/31/06/29/559310629.db2.gz	HVJZTPJQAWPESK-LBPRGKRZSA-N	-1	3	361.261	2.006	20	30		FEEDHM
N#Cc1ccc(Br)cc1S(=O)(=O)[N-]CC[C@H]1CCOC1	ZINC000416460500	559314749	/nfs/dbraw/zinc/31/47/49/559314749.db2.gz	WQLXKESXFBFFTG-JTQLQIEISA-N	-1	3	359.245	2.026	20	30		FEEDHM
Cc1cnc(CC[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)cn1	ZINC000416499593	559318042	/nfs/dbraw/zinc/31/80/42/559318042.db2.gz	CCHJTQSMOQGZRI-UHFFFAOYSA-N	-1	3	370.356	2.197	20	30		FEEDHM
CC(C)(CC#N)CS(=O)(=O)[N-][C@H]1c2sccc2OC(C)(C)[C@@H]1O	ZINC000416556781	559321606	/nfs/dbraw/zinc/32/16/06/559321606.db2.gz	YRHHWRQNQUPSHT-WCQYABFASA-N	-1	3	358.485	2.180	20	30		FEEDHM
C[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2C#N)CS1	ZINC000416602901	559324484	/nfs/dbraw/zinc/32/44/84/559324484.db2.gz	XNTWTROULUQMOV-KWQFWETISA-N	-1	3	361.286	2.493	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCC[C@H](CO)C2)c(C(F)(F)F)c1	ZINC000416645489	559327270	/nfs/dbraw/zinc/32/72/70/559327270.db2.gz	UOJZANWYWZWJKD-RYUDHWBXSA-N	-1	3	362.373	2.406	20	30		FEEDHM
COc1ccc(Br)cc1S(=O)(=O)[N-]CC1(C#N)CCC1	ZINC000416667952	559328849	/nfs/dbraw/zinc/32/88/49/559328849.db2.gz	GRMLNOFWABSLPQ-UHFFFAOYSA-N	-1	3	359.245	2.430	20	30		FEEDHM
C=C(C)C(C)(C)C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl	ZINC000424820063	559677629	/nfs/dbraw/zinc/67/76/29/559677629.db2.gz	KRTKRGZGDCFUMV-UHFFFAOYSA-N	-1	3	362.854	2.476	20	30		FEEDHM
Cc1cc(N2CCC([N-]S(=O)(=O)c3cccs3)CC2)c(C#N)cn1	ZINC000425209677	559691416	/nfs/dbraw/zinc/69/14/16/559691416.db2.gz	PSVDTZRFLVLWFS-UHFFFAOYSA-N	-1	3	362.480	2.271	20	30		FEEDHM
COc1cc(F)c([N-]S(=O)(=O)c2cnc(C)c(C#N)c2)cc1OC	ZINC000427215628	559750605	/nfs/dbraw/zinc/75/06/05/559750605.db2.gz	APUAOVQUUMJBDI-UHFFFAOYSA-N	-1	3	351.359	2.219	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]c2cc(Br)c[nH]c2=O)cc1F	ZINC000427303728	559752729	/nfs/dbraw/zinc/75/27/29/559752729.db2.gz	CRIJSEMUQADPGT-UHFFFAOYSA-N	-1	3	372.175	2.361	20	30		FEEDHM
CCC[C@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C(=O)OCC	ZINC000433472453	559882586	/nfs/dbraw/zinc/88/25/86/559882586.db2.gz	WEOHZPMQRLQDCR-GFCCVEGCSA-N	-1	3	358.847	2.469	20	30		FEEDHM
COc1cccc(COCC[N-]S(=O)(=O)c2ccc(C#N)s2)c1	ZINC000435435583	559922988	/nfs/dbraw/zinc/92/29/88/559922988.db2.gz	YROOHVYYRSDBIH-UHFFFAOYSA-N	-1	3	352.437	2.123	20	30		FEEDHM
C[C@@H](O)C[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)s1)c1ccccc1	ZINC000435445246	559923410	/nfs/dbraw/zinc/92/34/10/559923410.db2.gz	DLMONDRSYOMXFL-OCCSQVGLSA-N	-1	3	350.465	2.453	20	30		FEEDHM
Cc1cc(CN2C(=O)c3ccccc3C2=O)cc(C(=O)N(C)CC#N)c1[O-]	ZINC000436546612	559945100	/nfs/dbraw/zinc/94/51/00/559945100.db2.gz	QFCQEMIRMLBJJF-UHFFFAOYSA-N	-1	3	363.373	2.092	20	30		FEEDHM
N#Cc1ccnc(NC2CCN(C(=O)c3ccccc3[O-])CC2)c1Cl	ZINC000436576663	559945695	/nfs/dbraw/zinc/94/56/95/559945695.db2.gz	QCDFZEHJEWZVLH-UHFFFAOYSA-N	-1	3	356.813	3.029	20	30		FEEDHM
CNc1ccc(C#N)cc1NC(=O)CCNC(=O)c1ccc(C)cc1[O-]	ZINC000436681683	559948839	/nfs/dbraw/zinc/94/88/39/559948839.db2.gz	NVLIAMFTCDNPLF-UHFFFAOYSA-N	-1	3	352.394	2.373	20	30		FEEDHM
Cc1ccc(C(=O)NCCC(=O)N[C@H](C#N)c2ccccc2F)c([O-])c1	ZINC000436967959	559957911	/nfs/dbraw/zinc/95/79/11/559957911.db2.gz	ZTTQYHICPRFZFJ-MRXNPFEDSA-N	-1	3	355.369	2.341	20	30		FEEDHM
COC(=O)c1c(CC(C)C)csc1[N-]C(=O)C(=O)N(C)[C@@H](C)CC#N	ZINC000439509613	559996086	/nfs/dbraw/zinc/99/60/86/559996086.db2.gz	ZBVQPLAFCHZVQL-NSHDSACASA-N	-1	3	365.455	2.432	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]CCc2cc(-c3ccncc3)n[nH]2)c(F)c1	ZINC000527388951	562287634	/nfs/dbraw/zinc/28/76/34/562287634.db2.gz	CHHXOLDYCOSMGK-UHFFFAOYSA-N	-1	3	371.397	2.003	20	30		FEEDHM
COC(=O)c1ccsc1[N-]C(=O)C(=O)N(C)Cc1cccc(C#N)c1	ZINC000441652483	560037197	/nfs/dbraw/zinc/03/71/97/560037197.db2.gz	AOKUIFHPGMVCNK-UHFFFAOYSA-N	-1	3	357.391	2.003	20	30		FEEDHM
C[C@@H](NCC[N-]S(=O)(=O)c1ccc(F)cc1F)c1cccc(C#N)c1	ZINC000442096840	560043871	/nfs/dbraw/zinc/04/38/71/560043871.db2.gz	IVMIBXCXXLRSIC-GFCCVEGCSA-N	-1	3	365.405	2.466	20	30		FEEDHM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]CCc1ccc2[nH]ccc2c1	ZINC000443104397	560070761	/nfs/dbraw/zinc/07/07/61/560070761.db2.gz	SCLCSBQWFFIGFC-UHFFFAOYSA-N	-1	3	370.390	2.469	20	30		FEEDHM
COCCOc1ccc(F)cc1S(=O)(=O)[N-]CC1CCC(C#N)CC1	ZINC000443222683	560075130	/nfs/dbraw/zinc/07/51/30/560075130.db2.gz	DTQUETJMQPBHQS-UHFFFAOYSA-N	-1	3	370.446	2.459	20	30		FEEDHM
C=C(C)CCNS(=O)(=O)c1ccc([N-]S(=O)(=O)C(C)C)c(F)c1	ZINC000451802884	560329651	/nfs/dbraw/zinc/32/96/51/560329651.db2.gz	NXHPSGPDWOPTFA-UHFFFAOYSA-N	-1	3	364.464	2.220	20	30		FEEDHM
C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1cccc(Br)c1C#N	ZINC000451908165	560336477	/nfs/dbraw/zinc/33/64/77/560336477.db2.gz	VVYVGFBQWXWXQM-OLZOCXBDSA-N	-1	3	371.256	2.333	20	30		FEEDHM
C=CCC[C@H](CO)[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F	ZINC000452025985	560346290	/nfs/dbraw/zinc/34/62/90/560346290.db2.gz	AGXFAIHKWIXCCT-SECBINFHSA-N	-1	3	357.325	2.330	20	30		FEEDHM
N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](CO)c2cccc(F)c2)c1	ZINC000475787504	561105301	/nfs/dbraw/zinc/10/53/01/561105301.db2.gz	DJGQKGSZHPNQHV-AWEZNQCLSA-N	-1	3	354.790	2.363	20	30		FEEDHM
C=CCN1CC[C@@H](N(C)C(=O)c2cc([O-])cc(Br)c2)C1=O	ZINC000529251313	562366336	/nfs/dbraw/zinc/36/63/36/562366336.db2.gz	BJYATYIFSZVMCP-CYBMUJFWSA-N	-1	3	353.216	2.014	20	30		FEEDHM
C=CCc1cccc(C(C)C)c1NC(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1	ZINC000530553011	562415756	/nfs/dbraw/zinc/41/57/56/562415756.db2.gz	DSHQXGASYYZISA-OAHLLOKOSA-N	-1	3	356.426	2.306	20	30		FEEDHM
C[C@H](Cc1ccsc1)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000532761404	562487829	/nfs/dbraw/zinc/48/78/29/562487829.db2.gz	VGLAUGRDENVAFM-SNVBAGLBSA-N	-1	3	351.409	2.437	20	30		FEEDHM
C[C@]1(c2ccc(CNCc3ccc(C#N)cc3F)cc2)NC(=O)[N-]C1=O	ZINC000533449485	562509059	/nfs/dbraw/zinc/50/90/59/562509059.db2.gz	ZXXSTSMFZIEGNU-LJQANCHMSA-N	-1	3	352.369	2.042	20	30		FEEDHM
CN1CC[C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2F)[C@@H]1c1ccccc1	ZINC000534638901	562538844	/nfs/dbraw/zinc/53/88/44/562538844.db2.gz	NLWQXAPURDPBLW-AEFFLSMTSA-N	-1	3	359.426	2.421	20	30		FEEDHM
Cc1nnc(C[N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)s1	ZINC000540941458	562597733	/nfs/dbraw/zinc/59/77/33/562597733.db2.gz	FNMANCBHMHVVCJ-UHFFFAOYSA-N	-1	3	362.358	2.216	20	30		FEEDHM
C=CCNC(=O)c1cccc(-c2noc(Cc3c(C)nc(C)[n-]c3=O)n2)c1	ZINC000545656936	562629670	/nfs/dbraw/zinc/62/96/70/562629670.db2.gz	SYHOGFKIYJJOPB-UHFFFAOYSA-N	-1	3	365.393	2.356	20	30		FEEDHM
C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](C#N)c1ccc(F)cc1	ZINC000736169184	598850157	/nfs/dbraw/zinc/85/01/57/598850157.db2.gz	KKEABHDEMSUQDJ-BZNIZROVSA-N	-1	3	366.356	2.154	20	30		FEEDHM
COC(=O)[C@H](N[C@H](C)c1ccc(C#N)cc1)c1ccc(-c2nnn[n-]2)cc1	ZINC000736896915	598879993	/nfs/dbraw/zinc/87/99/93/598879993.db2.gz	PCNCBOKXFKKFEP-SJKOYZFVSA-N	-1	3	362.393	2.303	20	30		FEEDHM
COC(=O)[C@H](N[C@H](C)c1ccc(C#N)cc1)c1ccc(-c2nn[n-]n2)cc1	ZINC000736896915	598879994	/nfs/dbraw/zinc/87/99/94/598879994.db2.gz	PCNCBOKXFKKFEP-SJKOYZFVSA-N	-1	3	362.393	2.303	20	30		FEEDHM
C=CCNC(=O)CSc1nc(-c2ccccc2)ccc1-c1nnn[n-]1	ZINC000735432106	598900867	/nfs/dbraw/zinc/90/08/67/598900867.db2.gz	MLLSLDJONPYCFS-UHFFFAOYSA-N	-1	3	352.423	2.323	20	30		FEEDHM
C=CCNC(=O)CSc1nc(-c2ccccc2)ccc1-c1nn[n-]n1	ZINC000735432106	598900868	/nfs/dbraw/zinc/90/08/68/598900868.db2.gz	MLLSLDJONPYCFS-UHFFFAOYSA-N	-1	3	352.423	2.323	20	30		FEEDHM
Cn1cc(CC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c2ccccc21	ZINC000737601647	598920139	/nfs/dbraw/zinc/92/01/39/598920139.db2.gz	AUJVKAHNKUSTEI-UHFFFAOYSA-N	-1	3	357.377	2.411	20	30		FEEDHM
Cn1cc(CC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c2ccccc21	ZINC000737601647	598920141	/nfs/dbraw/zinc/92/01/41/598920141.db2.gz	AUJVKAHNKUSTEI-UHFFFAOYSA-N	-1	3	357.377	2.411	20	30		FEEDHM
N#Cc1cc([N+](=O)[O-])ccc1NCCOc1ccc(-c2nn[n-]n2)cc1	ZINC000822822719	599049471	/nfs/dbraw/zinc/04/94/71/599049471.db2.gz	CXTWTNCMECKYCU-UHFFFAOYSA-N	-1	3	351.326	2.137	20	30		FEEDHM
COc1ccc(C=NNC(=S)N[C@H]2CCCC[C@H]2C)cc1-c1nnn[n-]1	ZINC000737082440	599126431	/nfs/dbraw/zinc/12/64/31/599126431.db2.gz	VEGCTBGLYYCQBU-RISCZKNCSA-N	-1	3	373.486	2.252	20	30		FEEDHM
COc1ccc(C=NNC(=S)N[C@H]2CCCC[C@H]2C)cc1-c1nn[n-]n1	ZINC000737082440	599126433	/nfs/dbraw/zinc/12/64/33/599126433.db2.gz	VEGCTBGLYYCQBU-RISCZKNCSA-N	-1	3	373.486	2.252	20	30		FEEDHM
N#Cc1ccc(S[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)c(F)c1	ZINC000737723034	599167558	/nfs/dbraw/zinc/16/75/58/599167558.db2.gz	NRIHWZMZTBSBGF-CQSZACIVSA-N	-1	3	354.370	2.196	20	30		FEEDHM
N#Cc1ccc(S[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)c(F)c1	ZINC000737723034	599167560	/nfs/dbraw/zinc/16/75/60/599167560.db2.gz	NRIHWZMZTBSBGF-CQSZACIVSA-N	-1	3	354.370	2.196	20	30		FEEDHM
C[C@H](Oc1ccccc1F)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1	ZINC000736187956	599190915	/nfs/dbraw/zinc/19/09/15/599190915.db2.gz	FAKWJXCXQXZDAI-JTQLQIEISA-N	-1	3	352.329	2.283	20	30		FEEDHM
C[C@H](Oc1ccccc1F)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1	ZINC000736187956	599190918	/nfs/dbraw/zinc/19/09/18/599190918.db2.gz	FAKWJXCXQXZDAI-JTQLQIEISA-N	-1	3	352.329	2.283	20	30		FEEDHM
N#Cc1ccc(NC(=O)C(=O)c2ccc(Cl)cc2)cc1-c1nnn[n-]1	ZINC000737718994	599195956	/nfs/dbraw/zinc/19/59/56/599195956.db2.gz	RBCHFKNRAZNRBW-UHFFFAOYSA-N	-1	3	352.741	2.213	20	30		FEEDHM
N#Cc1ccc(NC(=O)C(=O)c2ccc(Cl)cc2)cc1-c1nn[n-]n1	ZINC000737718994	599195959	/nfs/dbraw/zinc/19/59/59/599195959.db2.gz	RBCHFKNRAZNRBW-UHFFFAOYSA-N	-1	3	352.741	2.213	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2cncn2-c2ccccc2)cc1-c1nnn[n-]1	ZINC000737719420	599196587	/nfs/dbraw/zinc/19/65/87/599196587.db2.gz	QHDUBRXNMUIWPN-UHFFFAOYSA-N	-1	3	356.349	2.176	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2cncn2-c2ccccc2)cc1-c1nn[n-]n1	ZINC000737719420	599196588	/nfs/dbraw/zinc/19/65/88/599196588.db2.gz	QHDUBRXNMUIWPN-UHFFFAOYSA-N	-1	3	356.349	2.176	20	30		FEEDHM
COCCN(C(=O)c1cccc(CC#N)c1)c1ccc(-c2nnn[n-]2)cc1	ZINC000736988779	599203864	/nfs/dbraw/zinc/20/38/64/599203864.db2.gz	RWEYGODQZDNUOT-UHFFFAOYSA-N	-1	3	362.393	2.226	20	30		FEEDHM
COCCN(C(=O)c1cccc(CC#N)c1)c1ccc(-c2nn[n-]n2)cc1	ZINC000736988779	599203865	/nfs/dbraw/zinc/20/38/65/599203865.db2.gz	RWEYGODQZDNUOT-UHFFFAOYSA-N	-1	3	362.393	2.226	20	30		FEEDHM
N#CCc1ccc(NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1	ZINC000822815371	599252973	/nfs/dbraw/zinc/25/29/73/599252973.db2.gz	PWJHFKAVIZNHBP-UHFFFAOYSA-N	-1	3	351.345	2.394	20	30		FEEDHM
N#CCc1ccc(NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1	ZINC000822815371	599252974	/nfs/dbraw/zinc/25/29/74/599252974.db2.gz	PWJHFKAVIZNHBP-UHFFFAOYSA-N	-1	3	351.345	2.394	20	30		FEEDHM
N#Cc1cccc(OC2CCN(C(=O)c3ccc(-c4nnn[n-]4)cc3)CC2)c1	ZINC000737730586	598235497	/nfs/dbraw/zinc/23/54/97/598235497.db2.gz	NEBLPOHPASSQMH-UHFFFAOYSA-N	-1	3	374.404	2.422	20	30		FEEDHM
N#Cc1cccc(OC2CCN(C(=O)c3ccc(-c4nn[n-]n4)cc3)CC2)c1	ZINC000737730586	598235498	/nfs/dbraw/zinc/23/54/98/598235498.db2.gz	NEBLPOHPASSQMH-UHFFFAOYSA-N	-1	3	374.404	2.422	20	30		FEEDHM
C#CCn1cnc(-c2ccccc2)c1NC(=O)c1ccc(-c2nnn[n-]2)cn1	ZINC000735387622	598450557	/nfs/dbraw/zinc/45/05/57/598450557.db2.gz	CEDQQFFGPPXYFC-UHFFFAOYSA-N	-1	3	370.376	2.011	20	30		FEEDHM
C#CCn1cnc(-c2ccccc2)c1NC(=O)c1ccc(-c2nn[n-]n2)cn1	ZINC000735387622	598450559	/nfs/dbraw/zinc/45/05/59/598450559.db2.gz	CEDQQFFGPPXYFC-UHFFFAOYSA-N	-1	3	370.376	2.011	20	30		FEEDHM
C#CCOc1ccc(NC(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)cc1	ZINC000735381248	598494436	/nfs/dbraw/zinc/49/44/36/598494436.db2.gz	RSSISVBMWPFPRA-ZDUSSCGKSA-N	-1	3	363.377	2.285	20	30		FEEDHM
C#CCNC(=O)[C@H](C)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1	ZINC000735381078	598559744	/nfs/dbraw/zinc/55/97/44/598559744.db2.gz	LNWYCARLCIWHBR-ZDUSSCGKSA-N	-1	3	362.393	2.209	20	30		FEEDHM
C#CCNC(=O)[C@H](C)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1	ZINC000735381078	598559745	/nfs/dbraw/zinc/55/97/45/598559745.db2.gz	LNWYCARLCIWHBR-ZDUSSCGKSA-N	-1	3	362.393	2.209	20	30		FEEDHM
C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(F)c(C#N)c1	ZINC000736168199	598588652	/nfs/dbraw/zinc/58/86/52/598588652.db2.gz	IWASZXKWHVGAEA-SNVBAGLBSA-N	-1	3	352.329	2.283	20	30		FEEDHM
COc1ccc(-c2nnn[n-]2)cc1NC(=O)CSc1ccc(C#N)cc1	ZINC000737057198	598656884	/nfs/dbraw/zinc/65/68/84/598656884.db2.gz	HKTGPJLPJFXFCB-UHFFFAOYSA-N	-1	3	366.406	2.478	20	30		FEEDHM
COc1ccc(-c2nn[n-]n2)cc1NC(=O)CSc1ccc(C#N)cc1	ZINC000737057198	598656886	/nfs/dbraw/zinc/65/68/86/598656886.db2.gz	HKTGPJLPJFXFCB-UHFFFAOYSA-N	-1	3	366.406	2.478	20	30		FEEDHM
C#Cc1cccc(N(CC)S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c1	ZINC000735391137	598662533	/nfs/dbraw/zinc/66/25/33/598662533.db2.gz	MYJDTMMRNVIUEG-UHFFFAOYSA-N	-1	3	353.407	2.063	20	30		FEEDHM
C#Cc1cccc(N(CC)S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c1	ZINC000735391137	598662534	/nfs/dbraw/zinc/66/25/34/598662534.db2.gz	MYJDTMMRNVIUEG-UHFFFAOYSA-N	-1	3	353.407	2.063	20	30		FEEDHM
CC(C)[C@@H](C#N)NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1	ZINC000735692895	598691113	/nfs/dbraw/zinc/69/11/13/598691113.db2.gz	VFYLQZCUOYWHLS-OAHLLOKOSA-N	-1	3	363.381	2.332	20	30		FEEDHM
CC(C)[C@@H](C#N)NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1	ZINC000735692895	598691115	/nfs/dbraw/zinc/69/11/15/598691115.db2.gz	VFYLQZCUOYWHLS-OAHLLOKOSA-N	-1	3	363.381	2.332	20	30		FEEDHM
CC(C)(C)OC(=O)N1CCC(CCn2ccc(C=N[O-])nc2=O)CC1	ZINC000808257900	674449203	/nfs/dbraw/zinc/44/92/03/674449203.db2.gz	OCTZOQLZUXDADF-UHFFFAOYSA-N	-1	3	350.419	2.089	20	30		FEEDHM
N#CC1(C(=O)N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)CCCC1	ZINC000737673943	598747164	/nfs/dbraw/zinc/74/71/64/598747164.db2.gz	FEUWHCVBXBXWLN-UHFFFAOYSA-N	-1	3	366.425	2.320	20	30		FEEDHM
N#Cc1ccc(N2CCN(c3ccc(Cl)cc3-c3nnn[n-]3)CC2)nc1	ZINC000737719289	598794766	/nfs/dbraw/zinc/79/47/66/598794766.db2.gz	SHHRAEYXWGTLIH-UHFFFAOYSA-N	-1	3	366.816	2.113	20	30		FEEDHM
N#Cc1ccc(N2CCN(c3ccc(Cl)cc3-c3nn[n-]n3)CC2)nc1	ZINC000737719289	598794767	/nfs/dbraw/zinc/79/47/67/598794767.db2.gz	SHHRAEYXWGTLIH-UHFFFAOYSA-N	-1	3	366.816	2.113	20	30		FEEDHM
N#CCn1c(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc2ccccc21	ZINC000609521375	598816981	/nfs/dbraw/zinc/81/69/81/598816981.db2.gz	WJAGQADUHNFIPK-UHFFFAOYSA-N	-1	3	357.377	2.275	20	30		FEEDHM
N#CCn1c(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc2ccccc21	ZINC000609521375	598816983	/nfs/dbraw/zinc/81/69/83/598816983.db2.gz	WJAGQADUHNFIPK-UHFFFAOYSA-N	-1	3	357.377	2.275	20	30		FEEDHM
C=C(Cl)CNC(=O)CSc1nc(C)c(C)c(C)c1-c1nnn[n-]1	ZINC000735402582	599389713	/nfs/dbraw/zinc/38/97/13/599389713.db2.gz	YAPDAWISLSGVHM-UHFFFAOYSA-N	-1	3	352.851	2.148	20	30		FEEDHM
C=C(Cl)CNC(=O)CSc1nc(C)c(C)c(C)c1-c1nn[n-]n1	ZINC000735402582	599389716	/nfs/dbraw/zinc/38/97/16/599389716.db2.gz	YAPDAWISLSGVHM-UHFFFAOYSA-N	-1	3	352.851	2.148	20	30		FEEDHM
COc1ccc(-c2nnn[n-]2)cc1Cn1cc(C#N)c(=O)c2ccccc21	ZINC000821751782	607378921	/nfs/dbraw/zinc/37/89/21/607378921.db2.gz	CBBUPDFYJKISOT-UHFFFAOYSA-N	-1	3	358.361	2.110	20	30		FEEDHM
COc1ccc(-c2nn[n-]n2)cc1Cn1cc(C#N)c(=O)c2ccccc21	ZINC000821751782	607378923	/nfs/dbraw/zinc/37/89/23/607378923.db2.gz	CBBUPDFYJKISOT-UHFFFAOYSA-N	-1	3	358.361	2.110	20	30		FEEDHM
O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1ccc2c(c1)OCCO2	ZINC000737809466	599462110	/nfs/dbraw/zinc/46/21/10/599462110.db2.gz	WLJQVDMOOCEZKO-ARJAWSKDSA-N	-1	3	374.360	2.182	20	30		FEEDHM
O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1ccc2c(c1)OCCO2	ZINC000737809466	599462112	/nfs/dbraw/zinc/46/21/12/599462112.db2.gz	WLJQVDMOOCEZKO-ARJAWSKDSA-N	-1	3	374.360	2.182	20	30		FEEDHM
C=C(Br)CNc1c(-c2nnn[n-]2)cnc2c(F)ccc(F)c21	ZINC000819718432	599496974	/nfs/dbraw/zinc/49/69/74/599496974.db2.gz	GTHQFQYFKFGGPQ-UHFFFAOYSA-N	-1	3	367.157	2.436	20	30		FEEDHM
C=C(Br)CNc1c(-c2nn[n-]n2)cnc2c(F)ccc(F)c21	ZINC000819718432	599496976	/nfs/dbraw/zinc/49/69/76/599496976.db2.gz	GTHQFQYFKFGGPQ-UHFFFAOYSA-N	-1	3	367.157	2.436	20	30		FEEDHM
N#CCOc1ccc(CNc2c(-c3nnn[n-]3)cnc3ccccc32)cc1	ZINC000822815564	599522276	/nfs/dbraw/zinc/52/22/76/599522276.db2.gz	SWUYINUOUPFNOP-UHFFFAOYSA-N	-1	3	357.377	2.351	20	30		FEEDHM
N#CCOc1ccc(CNc2c(-c3nn[n-]n3)cnc3ccccc32)cc1	ZINC000822815564	599522277	/nfs/dbraw/zinc/52/22/77/599522277.db2.gz	SWUYINUOUPFNOP-UHFFFAOYSA-N	-1	3	357.377	2.351	20	30		FEEDHM
N#Cc1ccc(N2CCC(Nc3ccc(F)cc3-c3nnn[n-]3)CC2)nc1	ZINC000822829657	599522432	/nfs/dbraw/zinc/52/24/32/599522432.db2.gz	CAFYXFUFPWGHPD-UHFFFAOYSA-N	-1	3	364.388	2.353	20	30		FEEDHM
N#Cc1ccc(N2CCC(Nc3ccc(F)cc3-c3nn[n-]n3)CC2)nc1	ZINC000822829657	599522434	/nfs/dbraw/zinc/52/24/34/599522434.db2.gz	CAFYXFUFPWGHPD-UHFFFAOYSA-N	-1	3	364.388	2.353	20	30		FEEDHM
C[C@@H](NC(=O)[C@H](C)Oc1ccc(C#N)cc1)c1cccc(-c2nnn[n-]2)c1	ZINC000820537020	599527077	/nfs/dbraw/zinc/52/70/77/599527077.db2.gz	ZYNZDSAUEFRERN-OLZOCXBDSA-N	-1	3	362.393	2.383	20	30		FEEDHM
C[C@@H](NC(=O)[C@H](C)Oc1ccc(C#N)cc1)c1cccc(-c2nn[n-]n2)c1	ZINC000820537020	599527081	/nfs/dbraw/zinc/52/70/81/599527081.db2.gz	ZYNZDSAUEFRERN-OLZOCXBDSA-N	-1	3	362.393	2.383	20	30		FEEDHM
CC(C)(C[N-]S(=O)(=O)c1ccc(C#N)o1)N1CCc2ccccc2C1	ZINC000557787567	674466698	/nfs/dbraw/zinc/46/66/98/674466698.db2.gz	JXRCTARZHIYPDU-UHFFFAOYSA-N	-1	3	359.451	2.266	20	30		FEEDHM
C[C@@H](C(=O)[O-])[C@@H](NCC(=O)NCc1ccc(C#N)cc1)c1ccccc1	ZINC000826055391	601650542	/nfs/dbraw/zinc/65/05/42/601650542.db2.gz	ZUQDFKFHMIXABY-AUUYWEPGSA-N	-1	3	351.406	2.226	20	30		FEEDHM
Cc1csc(=NCC(F)(F)F)n1N=Cc1cc(-c2nnn[n-]2)cs1	ZINC000826320329	607634117	/nfs/dbraw/zinc/63/41/17/607634117.db2.gz	MRCAWRJCJYJXPP-UHFFFAOYSA-N	-1	3	373.389	2.445	20	30		FEEDHM
Cc1csc(=NCC(F)(F)F)n1N=Cc1cc(-c2nn[n-]n2)cs1	ZINC000826320329	607634118	/nfs/dbraw/zinc/63/41/18/607634118.db2.gz	MRCAWRJCJYJXPP-UHFFFAOYSA-N	-1	3	373.389	2.445	20	30		FEEDHM
Cc1csc(=NC[C@@H]2CCCO2)n1N=Cc1ccc(-c2nnn[n-]2)cc1	ZINC000826320134	607634413	/nfs/dbraw/zinc/63/44/13/607634413.db2.gz	HYWPQWMSOUOXMF-HNNXBMFYSA-N	-1	3	369.454	2.000	20	30		FEEDHM
Cc1csc(=NC[C@@H]2CCCO2)n1N=Cc1ccc(-c2nn[n-]n2)cc1	ZINC000826320134	607634416	/nfs/dbraw/zinc/63/44/16/607634416.db2.gz	HYWPQWMSOUOXMF-HNNXBMFYSA-N	-1	3	369.454	2.000	20	30		FEEDHM
Cc1cc(C#N)cc(C)c1OS(=O)(=O)c1ccccc1-c1nnn[n-]1	ZINC000826256686	607648808	/nfs/dbraw/zinc/64/88/08/607648808.db2.gz	WBRRHSYBQVKDEO-UHFFFAOYSA-N	-1	3	355.379	2.123	20	30		FEEDHM
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CC1(NC(=O)[O-])CCC1	ZINC000828029826	604102452	/nfs/dbraw/zinc/10/24/52/604102452.db2.gz	BGYLDXKASIQXKY-UHFFFAOYSA-N	-1	3	358.442	2.029	20	30		FEEDHM
COc1cccc(NC(=O)C(C#N)C(=O)[C@@H]2CCC[C@H](NC(=O)[O-])C2)c1	ZINC000829569672	604219232	/nfs/dbraw/zinc/21/92/32/604219232.db2.gz	FTWLZTMPNZXIAY-TYNCELHUSA-N	-1	3	359.382	2.169	20	30		FEEDHM
COc1ccccc1NC(=O)C(C#N)C(=O)[C@@H]1CCC[C@@H](NC(=O)[O-])C1	ZINC000829637873	604222164	/nfs/dbraw/zinc/22/21/64/604222164.db2.gz	IPSCCZUUFYGENR-JHJVBQTASA-N	-1	3	359.382	2.169	20	30		FEEDHM
N#CCSCC(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1	ZINC000826382056	607768740	/nfs/dbraw/zinc/76/87/40/607768740.db2.gz	MOPCDXMYSRLUHA-UHFFFAOYSA-N	-1	3	357.424	2.185	20	30		FEEDHM
N#CCSCC(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1	ZINC000826382056	607768741	/nfs/dbraw/zinc/76/87/41/607768741.db2.gz	MOPCDXMYSRLUHA-UHFFFAOYSA-N	-1	3	357.424	2.185	20	30		FEEDHM
C#CCN(CC)CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2	ZINC000819702440	606074734	/nfs/dbraw/zinc/07/47/34/606074734.db2.gz	ZIURVDJLNINVDM-UHFFFAOYSA-N	-1	3	358.471	2.091	20	30		FEEDHM
C#CCN(CC)CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2	ZINC000819702440	606074738	/nfs/dbraw/zinc/07/47/38/606074738.db2.gz	ZIURVDJLNINVDM-UHFFFAOYSA-N	-1	3	358.471	2.091	20	30		FEEDHM
CCN1C(=O)C(=NN=Cc2cc(-c3nnn[n-]3)cs2)c2ccccc21	ZINC000821239800	606203972	/nfs/dbraw/zinc/20/39/72/606203972.db2.gz	CWRVOEPTNAGNON-UHFFFAOYSA-N	-1	3	351.395	2.118	20	30		FEEDHM
CCN1C(=O)C(=NN=Cc2cc(-c3nn[n-]n3)cs2)c2ccccc21	ZINC000821239800	606203973	/nfs/dbraw/zinc/20/39/73/606203973.db2.gz	CWRVOEPTNAGNON-UHFFFAOYSA-N	-1	3	351.395	2.118	20	30		FEEDHM
C[C@@H](COc1cccc(C#N)c1)OC(=O)c1cc(-c2nnn[n-]2)cs1	ZINC000820294446	606465973	/nfs/dbraw/zinc/46/59/73/606465973.db2.gz	SPKYNAFGRMRCTK-JTQLQIEISA-N	-1	3	355.379	2.424	20	30		FEEDHM
C[C@@H](COc1cccc(C#N)c1)OC(=O)c1cc(-c2nn[n-]n2)cs1	ZINC000820294446	606465976	/nfs/dbraw/zinc/46/59/76/606465976.db2.gz	SPKYNAFGRMRCTK-JTQLQIEISA-N	-1	3	355.379	2.424	20	30		FEEDHM
N#Cc1ccc(OCCCOC(=O)c2cc(-c3nnn[n-]3)cs2)cc1	ZINC000822833571	606569613	/nfs/dbraw/zinc/56/96/13/606569613.db2.gz	RXANDNHMDMAZHI-UHFFFAOYSA-N	-1	3	355.379	2.426	20	30		FEEDHM
N#Cc1ccc(OCCCOC(=O)c2cc(-c3nn[n-]n3)cs2)cc1	ZINC000822833571	606569614	/nfs/dbraw/zinc/56/96/14/606569614.db2.gz	RXANDNHMDMAZHI-UHFFFAOYSA-N	-1	3	355.379	2.426	20	30		FEEDHM
Fc1cc(-c2nnn[n-]2)ccc1CON=Cc1cnn(-c2ccccc2)n1	ZINC000822743812	606982774	/nfs/dbraw/zinc/98/27/74/606982774.db2.gz	GGJJHOIRODURPV-UHFFFAOYSA-N	-1	3	364.344	2.137	20	30		FEEDHM
Fc1cc(-c2nn[n-]n2)ccc1CON=Cc1cnn(-c2ccccc2)n1	ZINC000822743812	606982775	/nfs/dbraw/zinc/98/27/75/606982775.db2.gz	GGJJHOIRODURPV-UHFFFAOYSA-N	-1	3	364.344	2.137	20	30		FEEDHM
Cc1ccc(-c2nnn[n-]2)cc1OS(=O)(=O)c1cc(C#N)ccc1C	ZINC000822222457	607051229	/nfs/dbraw/zinc/05/12/29/607051229.db2.gz	HUQTVBGZEKVVDI-UHFFFAOYSA-N	-1	3	355.379	2.123	20	30		FEEDHM
Cc1ccc(-c2nn[n-]n2)cc1OS(=O)(=O)c1cc(C#N)ccc1C	ZINC000822222457	607051231	/nfs/dbraw/zinc/05/12/31/607051231.db2.gz	HUQTVBGZEKVVDI-UHFFFAOYSA-N	-1	3	355.379	2.123	20	30		FEEDHM
Cn1cc(-c2nnn[n-]2)cc1C(=O)OCc1ccccc1C(C)(C)C#N	ZINC000822665649	607155096	/nfs/dbraw/zinc/15/50/96/607155096.db2.gz	VFTZVFRMVHBRKR-UHFFFAOYSA-N	-1	3	350.382	2.363	20	30		FEEDHM
Cn1cc(-c2nn[n-]n2)cc1C(=O)OCc1ccccc1C(C)(C)C#N	ZINC000822665649	607155098	/nfs/dbraw/zinc/15/50/98/607155098.db2.gz	VFTZVFRMVHBRKR-UHFFFAOYSA-N	-1	3	350.382	2.363	20	30		FEEDHM
CN(C)c1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c(F)c1	ZINC000825875721	607785853	/nfs/dbraw/zinc/78/58/53/607785853.db2.gz	WMGADANLPPQXDR-UHFFFAOYSA-N	-1	3	351.345	2.196	20	30		FEEDHM
CN(C)c1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c(F)c1	ZINC000825875721	607785854	/nfs/dbraw/zinc/78/58/54/607785854.db2.gz	WMGADANLPPQXDR-UHFFFAOYSA-N	-1	3	351.345	2.196	20	30		FEEDHM
C=C(C)[C@@H](CC(=O)O[C@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1)OCC	ZINC000823872477	607920041	/nfs/dbraw/zinc/92/00/41/607920041.db2.gz	ACCXPGHOAZCCKS-IUODEOHRSA-N	-1	3	373.413	2.108	20	30		FEEDHM
C=C(C)[C@@H](CC(=O)O[C@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1)OCC	ZINC000823872477	607920042	/nfs/dbraw/zinc/92/00/42/607920042.db2.gz	ACCXPGHOAZCCKS-IUODEOHRSA-N	-1	3	373.413	2.108	20	30		FEEDHM
C#CC[C@@H](NS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccccc1	ZINC000823838287	607937829	/nfs/dbraw/zinc/93/78/29/607937829.db2.gz	NVDUYHXACHAKAQ-QGZVFWFLSA-N	-1	3	367.434	2.051	20	30		FEEDHM
C#CC[C@@H](NS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccccc1	ZINC000823838287	607937830	/nfs/dbraw/zinc/93/78/30/607937830.db2.gz	NVDUYHXACHAKAQ-QGZVFWFLSA-N	-1	3	367.434	2.051	20	30		FEEDHM
C=CCCOCCNC(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1	ZINC000823899577	607961429	/nfs/dbraw/zinc/96/14/29/607961429.db2.gz	YOHWNUHNXONRFR-UHFFFAOYSA-N	-1	3	360.418	2.368	20	30		FEEDHM
C=CCCOCCNC(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1	ZINC000823899577	607961430	/nfs/dbraw/zinc/96/14/30/607961430.db2.gz	YOHWNUHNXONRFR-UHFFFAOYSA-N	-1	3	360.418	2.368	20	30		FEEDHM
C=CCNc1ncc(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)s1	ZINC000823925131	607961659	/nfs/dbraw/zinc/96/16/59/607961659.db2.gz	DYNZATMUXWPJNZ-UHFFFAOYSA-N	-1	3	353.411	2.124	20	30		FEEDHM
C=CCNc1ncc(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)s1	ZINC000823925131	607961660	/nfs/dbraw/zinc/96/16/60/607961660.db2.gz	DYNZATMUXWPJNZ-UHFFFAOYSA-N	-1	3	353.411	2.124	20	30		FEEDHM
C=C[C@H](CC(=O)NCCNc1ncccc1-c1nnn[n-]1)c1ccccc1	ZINC000823883339	607978494	/nfs/dbraw/zinc/97/84/94/607978494.db2.gz	OVIJJILSYDLPLE-CQSZACIVSA-N	-1	3	363.425	2.150	20	30		FEEDHM
C=C[C@H](CC(=O)NCCNc1ncccc1-c1nn[n-]n1)c1ccccc1	ZINC000823883339	607978495	/nfs/dbraw/zinc/97/84/95/607978495.db2.gz	OVIJJILSYDLPLE-CQSZACIVSA-N	-1	3	363.425	2.150	20	30		FEEDHM
N#CCc1ccc(C(=O)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1	ZINC000826382127	608083416	/nfs/dbraw/zinc/08/34/16/608083416.db2.gz	PPPOYDOXTGSJCP-GOSISDBHSA-N	-1	3	374.404	2.146	20	30		FEEDHM
N#CCc1ccc(C(=O)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1	ZINC000826382127	608083417	/nfs/dbraw/zinc/08/34/17/608083417.db2.gz	PPPOYDOXTGSJCP-GOSISDBHSA-N	-1	3	374.404	2.146	20	30		FEEDHM
C#CCCCCC(=O)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1	ZINC000823837713	608293441	/nfs/dbraw/zinc/29/34/41/608293441.db2.gz	FZHVIWOTUYHUCB-UHFFFAOYSA-N	-1	3	352.442	2.099	20	30		FEEDHM
C#CCCCCC(=O)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1	ZINC000823837713	608293443	/nfs/dbraw/zinc/29/34/43/608293443.db2.gz	FZHVIWOTUYHUCB-UHFFFAOYSA-N	-1	3	352.442	2.099	20	30		FEEDHM
COc1ccc(OC)c(C=NOCc2ccc(-c3nnn[n-]3)cc2OC)c1	ZINC000826210987	608324913	/nfs/dbraw/zinc/32/49/13/608324913.db2.gz	LREDWQPOSJFOKB-UHFFFAOYSA-N	-1	3	369.381	2.443	20	30		FEEDHM
COc1ccc(OC)c(C=NOCc2ccc(-c3nn[n-]n3)cc2OC)c1	ZINC000826210987	608324915	/nfs/dbraw/zinc/32/49/15/608324915.db2.gz	LREDWQPOSJFOKB-UHFFFAOYSA-N	-1	3	369.381	2.443	20	30		FEEDHM
C[C@@H](Oc1ccccc1C#N)C(=O)OCc1cccc(-c2nnn[n-]2)c1F	ZINC000824757439	608441396	/nfs/dbraw/zinc/44/13/96/608441396.db2.gz	WUXCNANSWLPZHI-LLVKDONJSA-N	-1	3	367.340	2.388	20	30		FEEDHM
C[C@@H](Oc1ccccc1C#N)C(=O)OCc1cccc(-c2nn[n-]n2)c1F	ZINC000824757439	608441397	/nfs/dbraw/zinc/44/13/97/608441397.db2.gz	WUXCNANSWLPZHI-LLVKDONJSA-N	-1	3	367.340	2.388	20	30		FEEDHM
CC(C)C[C@@H](C#N)NC(=O)[C@H](Oc1ccccc1-c1nnn[n-]1)C(C)C	ZINC000824229628	608497583	/nfs/dbraw/zinc/49/75/83/608497583.db2.gz	SZTSANWDROZGJZ-XJKSGUPXSA-N	-1	3	356.430	2.325	20	30		FEEDHM
CC(C)C[C@@H](C#N)NC(=O)[C@H](Oc1ccccc1-c1nn[n-]n1)C(C)C	ZINC000824229628	608497584	/nfs/dbraw/zinc/49/75/84/608497584.db2.gz	SZTSANWDROZGJZ-XJKSGUPXSA-N	-1	3	356.430	2.325	20	30		FEEDHM
N#Cc1ccc(NC2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)nc1	ZINC000826385264	608558432	/nfs/dbraw/zinc/55/84/32/608558432.db2.gz	DWOMGAVWLBUPEO-UHFFFAOYSA-N	-1	3	362.397	2.330	20	30		FEEDHM
N#Cc1ccc(NC2CCC(Oc3ccc(-c4nn[n-]n4)cn3)CC2)nc1	ZINC000826385264	608558434	/nfs/dbraw/zinc/55/84/34/608558434.db2.gz	DWOMGAVWLBUPEO-UHFFFAOYSA-N	-1	3	362.397	2.330	20	30		FEEDHM
C=CC[C@@H](CO)CNC(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl	ZINC000823888690	608563228	/nfs/dbraw/zinc/56/32/28/608563228.db2.gz	UFWMCSKVRSXWPB-MRVPVSSYSA-N	-1	3	356.213	2.088	20	30		FEEDHM
C=CC[C@@H](CO)CNC(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl	ZINC000823888690	608563230	/nfs/dbraw/zinc/56/32/30/608563230.db2.gz	UFWMCSKVRSXWPB-MRVPVSSYSA-N	-1	3	356.213	2.088	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccn(C(F)F)n1	ZINC000823915431	608583881	/nfs/dbraw/zinc/58/38/81/608583881.db2.gz	XVTYPSMKTKPNIJ-UHFFFAOYSA-N	-1	3	359.340	2.287	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccn(C(F)F)n1	ZINC000823915431	608583883	/nfs/dbraw/zinc/58/38/83/608583883.db2.gz	XVTYPSMKTKPNIJ-UHFFFAOYSA-N	-1	3	359.340	2.287	20	30		FEEDHM
C#CCCCCCC(=O)O[C@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O	ZINC000823840746	609135103	/nfs/dbraw/zinc/13/51/03/609135103.db2.gz	DGKUEMWUJXGANX-ZDUSSCGKSA-N	-1	3	373.438	2.160	20	30		FEEDHM
C#CCCCCCC(=O)O[C@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O	ZINC000823840746	609135104	/nfs/dbraw/zinc/13/51/04/609135104.db2.gz	DGKUEMWUJXGANX-ZDUSSCGKSA-N	-1	3	373.438	2.160	20	30		FEEDHM
C=CCOCCNC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1	ZINC000823925894	609157597	/nfs/dbraw/zinc/15/75/97/609157597.db2.gz	QGDPHPHTYCJCKC-UHFFFAOYSA-N	-1	3	356.308	2.210	20	30		FEEDHM
C=CCOCCNC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1	ZINC000823925894	609157598	/nfs/dbraw/zinc/15/75/98/609157598.db2.gz	QGDPHPHTYCJCKC-UHFFFAOYSA-N	-1	3	356.308	2.210	20	30		FEEDHM
N#CCC[C@@H](NC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1	ZINC000826381590	609254534	/nfs/dbraw/zinc/25/45/34/609254534.db2.gz	RDIPDTOWZMYJFG-IAGOWNOFSA-N	-1	3	362.393	2.061	20	30		FEEDHM
N#CCC[C@@H](NC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1	ZINC000826381590	609254535	/nfs/dbraw/zinc/25/45/35/609254535.db2.gz	RDIPDTOWZMYJFG-IAGOWNOFSA-N	-1	3	362.393	2.061	20	30		FEEDHM
N#Cc1cccc(C(=O)Nc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)c1	ZINC000826386942	609287842	/nfs/dbraw/zinc/28/78/42/609287842.db2.gz	ZDWPKYZIVCKSDP-UHFFFAOYSA-N	-1	3	374.339	2.315	20	30		FEEDHM
COc1ccc(-c2nnn[n-]2)cc1CSc1nnc(C)c(C)c1C#N	ZINC000826184771	609305145	/nfs/dbraw/zinc/30/51/45/609305145.db2.gz	JXSUYAPXNNALIE-UHFFFAOYSA-N	-1	3	353.411	2.446	20	30		FEEDHM
COc1ccc(-c2nn[n-]n2)cc1CSc1nnc(C)c(C)c1C#N	ZINC000826184771	609305146	/nfs/dbraw/zinc/30/51/46/609305146.db2.gz	JXSUYAPXNNALIE-UHFFFAOYSA-N	-1	3	353.411	2.446	20	30		FEEDHM
CCn1cc(C(=O)C=Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)cn1	ZINC000825799315	609309214	/nfs/dbraw/zinc/30/92/14/609309214.db2.gz	JAEXUMKPHGKQNG-HJWRWDBZSA-N	-1	3	374.408	2.380	20	30		FEEDHM
CCn1cc(C(=O)C=Cc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)cn1	ZINC000825799315	609309216	/nfs/dbraw/zinc/30/92/16/609309216.db2.gz	JAEXUMKPHGKQNG-HJWRWDBZSA-N	-1	3	374.408	2.380	20	30		FEEDHM
N#CC1(C(=O)OCc2ccc(-c3nnn[n-]3)cc2Br)CCC1	ZINC000826380156	609347120	/nfs/dbraw/zinc/34/71/20/609347120.db2.gz	PILQHWFLXCDOSW-UHFFFAOYSA-N	-1	3	362.187	2.366	20	30		FEEDHM
N#CC1(C(=O)OCc2ccc(-c3nn[n-]n3)cc2Br)CCC1	ZINC000826380156	609347122	/nfs/dbraw/zinc/34/71/22/609347122.db2.gz	PILQHWFLXCDOSW-UHFFFAOYSA-N	-1	3	362.187	2.366	20	30		FEEDHM
Cc1cc(C(=O)Oc2ccc(C#N)cc2)nn1-c1cccc(-c2nnn[n-]2)c1	ZINC000826261632	609504804	/nfs/dbraw/zinc/50/48/04/609504804.db2.gz	LSLSXTURJTZSBQ-UHFFFAOYSA-N	-1	3	371.360	2.452	20	30		FEEDHM
Cc1cc(C(=O)Oc2ccc(C#N)cc2)nn1-c1cccc(-c2nn[n-]n2)c1	ZINC000826261632	609504805	/nfs/dbraw/zinc/50/48/05/609504805.db2.gz	LSLSXTURJTZSBQ-UHFFFAOYSA-N	-1	3	371.360	2.452	20	30		FEEDHM
Cc1nc(CSc2ccc(C(=O)N[C@H]3CCN([O-])C3=O)cc2)cs1	ZINC000816691977	675073305	/nfs/dbraw/zinc/07/33/05/675073305.db2.gz	CYRVUJILDNYURO-AWEZNQCLSA-N	-1	3	363.464	2.464	20	30		FEEDHM
C=CCn1c(Cc2csc(NC(=O)CN(C)C(C)C)n2)n[n-]c1=S	ZINC000063466246	670407563	/nfs/dbraw/zinc/40/75/63/670407563.db2.gz	ZMSFVYDGQKURCD-UHFFFAOYSA-N	-1	3	366.516	2.453	20	30		FEEDHM
CC(C)[N-]S(=O)(=O)c1cc(C(=O)N(C)CC(C)(C)C#N)ccc1F	ZINC000817617835	675153862	/nfs/dbraw/zinc/15/38/62/675153862.db2.gz	HGRNTKZDFWYIKF-UHFFFAOYSA-N	-1	3	355.435	2.134	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(-c2nc(-c3ccn(C)c3)no2)ccc1F	ZINC000577680867	671612874	/nfs/dbraw/zinc/61/28/74/671612874.db2.gz	XSJDMDZWSMLSIH-UHFFFAOYSA-N	-1	3	362.386	2.346	20	30		FEEDHM
CCOC(=O)c1ncc(NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)[n-]1	ZINC000590341390	672573260	/nfs/dbraw/zinc/57/32/60/672573260.db2.gz	RDDHMEXZGPZMBD-UHFFFAOYSA-N	-1	3	353.260	2.124	20	30		FEEDHM
CCOC(=O)c1nc(NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)c[n-]1	ZINC000590341390	672573263	/nfs/dbraw/zinc/57/32/63/672573263.db2.gz	RDDHMEXZGPZMBD-UHFFFAOYSA-N	-1	3	353.260	2.124	20	30		FEEDHM
COC(=O)c1sc2[n-]c(CN3CCC[C@](C)(C#N)C3)nc(=O)c2c1C	ZINC000612158044	676071751	/nfs/dbraw/zinc/07/17/51/676071751.db2.gz	HIBNWVVNUFCXNN-QGZVFWFLSA-N	-1	3	360.439	2.205	20	30		FEEDHM
COc1cc(OC)c(OC)cc1C[N-]S(=O)(=O)c1ccsc1C#N	ZINC000593526790	672933955	/nfs/dbraw/zinc/93/39/55/672933955.db2.gz	YOTWGJMAUIQHDN-UHFFFAOYSA-N	-1	3	368.436	2.124	20	30		FEEDHM
COCCOc1ccc(C[N-]S(=O)(=O)c2ccsc2C#N)cc1	ZINC000593528274	672934183	/nfs/dbraw/zinc/93/41/83/672934183.db2.gz	KUVDYBPXSPUPSA-UHFFFAOYSA-N	-1	3	352.437	2.123	20	30		FEEDHM
COC(=O)c1cc(C#N)ccc1S(=O)(=O)[N-]C[C@@H](C)CC(F)(F)F	ZINC000593606435	672956558	/nfs/dbraw/zinc/95/65/58/672956558.db2.gz	FRBUTQPTAXBMTL-VIFPVBQESA-N	-1	3	364.345	2.212	20	30		FEEDHM
CO[C@@H](CS(=O)(=O)[N-]C1(C#N)CCC(C(C)(C)C)CC1)[C@@H]1CCOC1	ZINC000594723041	673123617	/nfs/dbraw/zinc/12/36/17/673123617.db2.gz	JTCYESPSQZDIID-CTMQZQKCSA-N	-1	3	372.531	2.456	20	30		FEEDHM
N#CCCNC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1	ZINC000426428586	673209827	/nfs/dbraw/zinc/20/98/27/673209827.db2.gz	SQFJXODVBOBWBI-UHFFFAOYSA-N	-1	3	350.806	2.319	20	30		FEEDHM
CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)O[C@@H](C)CC#N	ZINC000733711023	673433558	/nfs/dbraw/zinc/43/35/58/673433558.db2.gz	QWLVKIJYZCHSFG-JSGCOSHPSA-N	-1	3	363.439	2.129	20	30		FEEDHM
CC(=O)Nc1nc(C)c(S(=O)(=O)[N-][C@]2(C#N)CCC[C@@H](C)C2)s1	ZINC000614080221	676159463	/nfs/dbraw/zinc/15/94/63/676159463.db2.gz	HGKWABSUCBLJCL-YMTOWFKASA-N	-1	3	356.473	2.161	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCC[C@@H]([S@@](C)=O)C1	ZINC000598766877	673609700	/nfs/dbraw/zinc/60/97/00/673609700.db2.gz	SRUHXNLDKCNSLN-FPIQFJIESA-N	-1	3	363.483	2.014	20	30		FEEDHM
CCC[C@H](C)N(C)C(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000742540052	673729922	/nfs/dbraw/zinc/72/99/22/673729922.db2.gz	YOWDMXKCTYUFCO-OLZOCXBDSA-N	-1	3	351.472	2.151	20	30		FEEDHM
Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1C=NN1CC(=O)[N-]C1=O	ZINC000744807142	673811766	/nfs/dbraw/zinc/81/17/66/673811766.db2.gz	MLOFWOWZNCBLSG-UHFFFAOYSA-N	-1	3	352.181	2.373	20	30		FEEDHM
CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N1CCC1(C)C	ZINC000747400446	673926508	/nfs/dbraw/zinc/92/65/08/673926508.db2.gz	RTMGJTYLAYRYRK-AWEZNQCLSA-N	-1	3	363.483	2.295	20	30		FEEDHM
CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NCC[C@H](C)F	ZINC000818288398	675211276	/nfs/dbraw/zinc/21/12/76/675211276.db2.gz	ZCSFQFINIPIAFG-JSGCOSHPSA-N	-1	3	369.462	2.004	20	30		FEEDHM
CC(=O)Nc1ncc(S(=O)(=O)[N-][C@H](C)c2ccc(C#N)cc2)s1	ZINC000567498868	675298206	/nfs/dbraw/zinc/29/82/06/675298206.db2.gz	SNIVYOIFZWAEQC-SECBINFHSA-N	-1	3	350.425	2.013	20	30		FEEDHM
C#CCNC(=O)[C@H](C)Sc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1	ZINC000823850301	675574343	/nfs/dbraw/zinc/57/43/43/675574343.db2.gz	NKMMQMZQLMTJCD-QMMMGPOBSA-N	-1	3	355.345	2.116	20	30		FEEDHM
C#CCNC(=O)[C@H](C)Sc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1	ZINC000823850301	675574346	/nfs/dbraw/zinc/57/43/46/675574346.db2.gz	NKMMQMZQLMTJCD-QMMMGPOBSA-N	-1	3	355.345	2.116	20	30		FEEDHM
C=CCCn1cc(C[N-]S(=O)(=O)c2ccccc2C(F)(F)F)nn1	ZINC000632635746	677006904	/nfs/dbraw/zinc/00/69/04/677006904.db2.gz	KLHQRLXINBEUBM-UHFFFAOYSA-N	-1	3	360.361	2.352	20	30		FEEDHM
C=CCOCCC[N-]S(=O)(=O)c1cccc(Br)c1F	ZINC000657148300	677962554	/nfs/dbraw/zinc/96/25/54/677962554.db2.gz	BLZFWFNAYCWION-UHFFFAOYSA-N	-1	3	352.225	2.459	20	30		FEEDHM
C[C@H](CC(=O)O[C@@H](C)c1ccco1)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000764802347	680821495	/nfs/dbraw/zinc/82/14/95/680821495.db2.gz	VRYWUDYSYDWBCZ-NEPJUHHUSA-N	-1	3	362.407	2.401	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCCC[C@H]2F)ccc1F	ZINC000840519841	680828937	/nfs/dbraw/zinc/82/89/37/680828937.db2.gz	AQLMAITVFJTDTJ-TZMCWYRMSA-N	-1	3	358.410	2.301	20	30		FEEDHM
CO[C@@H](C)c1nc(C[N-]S(=O)(=O)c2cccc(F)c2C#N)cs1	ZINC000751493098	680183265	/nfs/dbraw/zinc/18/32/65/680183265.db2.gz	HDKLPSDSLPSMLO-VIFPVBQESA-N	-1	3	355.416	2.340	20	30		FEEDHM
Cc1nc(C([O-])=C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)c(C)s1	ZINC000752476252	680244724	/nfs/dbraw/zinc/24/47/24/680244724.db2.gz	NKMINDWLLZFFIK-LBPRGKRZSA-N	-1	3	357.391	2.492	20	30		FEEDHM
CCC1(CNC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)CCC1	ZINC000752527406	680246798	/nfs/dbraw/zinc/24/67/98/680246798.db2.gz	KTWPUSXPNTWCHU-CYBMUJFWSA-N	-1	3	363.483	2.200	20	30		FEEDHM
C=CCN(C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1)C(C)C	ZINC000752687814	680254611	/nfs/dbraw/zinc/25/46/11/680254611.db2.gz	ANJOGFQGKMXTOC-UHFFFAOYSA-N	-1	3	365.908	2.286	20	30		FEEDHM
C#CCSCCOC(=O)CS(=O)(=O)[N-]c1ccc(OC(C)C)cc1	ZINC000835439270	680332983	/nfs/dbraw/zinc/33/29/83/680332983.db2.gz	QQZCEHXZSIDKRI-UHFFFAOYSA-N	-1	3	371.480	2.125	20	30		FEEDHM
N#CC[C@@H]1CC[C@H](NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)C1	ZINC000836796122	680515391	/nfs/dbraw/zinc/51/53/91/680515391.db2.gz	MNSQUOLRBURVLO-FZMZJTMJSA-N	-1	3	365.430	2.079	20	30		FEEDHM
C=CC(C)(C)CNC(=O)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F	ZINC000836829124	680519472	/nfs/dbraw/zinc/51/94/72/680519472.db2.gz	TXENQTJUCZGLIA-UHFFFAOYSA-N	-1	3	358.410	2.348	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)NC2(C(F)(F)F)CC2)ccc1F	ZINC000757392732	680523676	/nfs/dbraw/zinc/52/36/76/680523676.db2.gz	RARIVLIYSYWIMN-UHFFFAOYSA-N	-1	3	366.336	2.115	20	30		FEEDHM
C=C(CC)CNC(=O)[C@H](CCCC)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000837100633	680552857	/nfs/dbraw/zinc/55/28/57/680552857.db2.gz	ITZYBBLLYGYUGN-HNNXBMFYSA-N	-1	3	363.483	2.366	20	30		FEEDHM
C#C[C@H](CC)OC(=O)[C@@H](CCCC)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000768047644	680936124	/nfs/dbraw/zinc/93/61/24/680936124.db2.gz	KGNYKGYIFZZBOR-UKRRQHHQSA-N	-1	3	362.451	2.239	20	30		FEEDHM
CC#CCCCCOC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000768125567	680938559	/nfs/dbraw/zinc/93/85/59/680938559.db2.gz	OTPPZWSAXYHXHH-CQSZACIVSA-N	-1	3	362.451	2.241	20	30		FEEDHM
C[C@H](CC(=O)N[C@H]1CCC(C)(C)C1)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000768521319	680949018	/nfs/dbraw/zinc/94/90/18/680949018.db2.gz	VNKXJNJAJYXHDY-OLZOCXBDSA-N	-1	3	363.483	2.199	20	30		FEEDHM
CCOc1cc(C=NNc2nc3c(cnn3C)c(=O)[nH]2)cc(Cl)c1[O-]	ZINC000769820021	680996348	/nfs/dbraw/zinc/99/63/48/680996348.db2.gz	TXIVLHNNYQETDQ-UHFFFAOYSA-N	-1	3	362.777	2.273	20	30		FEEDHM
C[C@@H](C1CCCCC1)N(C)C(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000773758978	681154582	/nfs/dbraw/zinc/15/45/82/681154582.db2.gz	ZJJBMDBJCZZSFX-ZDUSSCGKSA-N	-1	3	363.483	2.152	20	30		FEEDHM
C[C@@H](Sc1nncn1C)C(=O)C(C#N)=C([O-])C1(c2ccccc2)CC1	ZINC000845840579	681155795	/nfs/dbraw/zinc/15/57/95/681155795.db2.gz	MRYBKKJMPSPUQL-OCCSQVGLSA-N	-1	3	354.435	2.305	20	30		FEEDHM
N#Cc1cc(Cl)nc(NN=C2C(=O)[N-]c3c2cc([N+](=O)[O-])cc3F)c1	ZINC000774396375	681183137	/nfs/dbraw/zinc/18/31/37/681183137.db2.gz	NDJMLMGZGVZSOC-UHFFFAOYSA-N	-1	3	360.692	2.422	20	30		FEEDHM
C=C[C@@H](C)O[N-]C(=O)CCc1c(C)nc2nc(C(F)(F)F)nn2c1C	ZINC000846543980	681258225	/nfs/dbraw/zinc/25/82/25/681258225.db2.gz	TZGNQXNQCROMSX-MRVPVSSYSA-N	-1	3	357.336	2.315	20	30		FEEDHM
CCCCOC(=O)C(C)(C)[N-]S(=O)(=O)Cc1cc(C#N)ccc1F	ZINC000848505183	681564382	/nfs/dbraw/zinc/56/43/82/681564382.db2.gz	MMGCYHSXUSFFAM-UHFFFAOYSA-N	-1	3	356.419	2.239	20	30		FEEDHM
Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-]C[C@H](O)C(F)(F)F	ZINC000849377171	681702498	/nfs/dbraw/zinc/70/24/98/681702498.db2.gz	KNJJSLAKVQOUKW-NSHDSACASA-N	-1	3	364.370	2.283	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccnn2CCC)ccc1F	ZINC000915172353	685512817	/nfs/dbraw/zinc/51/28/17/685512817.db2.gz	YNTBMOHSUFMBEW-UHFFFAOYSA-N	-1	3	366.418	2.149	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)Cc1csc(C#N)c1)C(=O)OCc1ccccc1	ZINC000916788130	685527720	/nfs/dbraw/zinc/52/77/20/685527720.db2.gz	UHJNNUHVZNIRKS-LBPRGKRZSA-N	-1	3	364.448	2.171	20	30		FEEDHM
COc1cccc([C@H](C#N)[N-]C(=O)C(F)(F)C2CCOCC2)c1OC	ZINC000790592402	682687301	/nfs/dbraw/zinc/68/73/01/682687301.db2.gz	WSKHURVEIWSVGA-ZDUSSCGKSA-N	-1	3	354.353	2.447	20	30		FEEDHM
CC(C)(C)[C@@H]1CCCN(C(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)C1	ZINC000794348681	682959945	/nfs/dbraw/zinc/95/99/45/682959945.db2.gz	RTSPNLFMEZCEHI-CYBMUJFWSA-N	-1	3	363.483	2.010	20	30		FEEDHM
CC(=N[N-]S(=O)(=O)Cc1ccccc1)c1ccccc1-n1ccnn1	ZINC000794901833	683002174	/nfs/dbraw/zinc/00/21/74/683002174.db2.gz	PGIMPDYJYBGLHQ-UHFFFAOYSA-N	-1	3	355.423	2.111	20	30		FEEDHM
C#CC[C@H](CCOC)[N-]S(=O)(=O)c1ccc(Br)s1	ZINC000859426949	683108210	/nfs/dbraw/zinc/10/82/10/683108210.db2.gz	ZWZIVQQZCXHTPV-SECBINFHSA-N	-1	3	352.275	2.217	20	30		FEEDHM
C#CC[C@H](COC)[N-]S(=O)(=O)c1cc(C)c(Br)cc1F	ZINC000859430231	683108897	/nfs/dbraw/zinc/10/88/97/683108897.db2.gz	PHVYRBWTDSGQQF-SNVBAGLBSA-N	-1	3	364.236	2.213	20	30		FEEDHM
C#C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(C)C	ZINC000798473012	683355078	/nfs/dbraw/zinc/35/50/78/683355078.db2.gz	ZWNYLIPEZHPWPW-LLVKDONJSA-N	-1	3	361.217	2.293	20	30		FEEDHM
CC(=NNCCCN1CCOCC1)c1cc(Br)cc(F)c1[O-]	ZINC000799489987	683460258	/nfs/dbraw/zinc/46/02/58/683460258.db2.gz	KFQRJUKUFXJYSZ-UHFFFAOYSA-N	-1	3	374.254	2.330	20	30		FEEDHM
Cc1cc(C)c(C(=O)N[C@H]2CCCN([O-])C2=O)c(C)c1Br	ZINC000861827031	683480789	/nfs/dbraw/zinc/48/07/89/683480789.db2.gz	CPQFYTXAYSUUJJ-NSHDSACASA-N	-1	3	355.232	2.484	20	30		FEEDHM
CN(C)[C@H](CC[N-]S(=O)(=O)c1cccc(Cl)c1C#N)C(F)(F)F	ZINC000921636833	683528397	/nfs/dbraw/zinc/52/83/97/683528397.db2.gz	ULSZKZZGDMJEGN-GFCCVEGCSA-N	-1	3	369.796	2.373	20	30		FEEDHM
CC(=NN[C@H]1CCCS(=O)(=O)C1)c1cc(Br)ccc1[O-]	ZINC000863128381	683678482	/nfs/dbraw/zinc/67/84/82/683678482.db2.gz	MNJPLCXBZPBYDN-NSHDSACASA-N	-1	3	361.261	2.046	20	30		FEEDHM
C=C[C@@H](C)[N-]S(=O)(=O)N=[S@](C)(=O)c1cccc(Br)c1	ZINC000866950102	684185554	/nfs/dbraw/zinc/18/55/54/684185554.db2.gz	XRGAERDPLDLVIV-DYBLOJMWSA-N	-1	3	367.290	2.315	20	30		FEEDHM
O=C(N[C@H]1CCCN([O-])C1=O)c1oc2ccccc2c1Br	ZINC000868563360	684511803	/nfs/dbraw/zinc/51/18/03/684511803.db2.gz	RVUOJFXCKJQLFC-VIFPVBQESA-N	-1	3	353.172	2.305	20	30		FEEDHM
O=C(Nc1cc(F)c(N2CCCC2)c(F)c1)N[C@H]1CCCN([O-])C1=O	ZINC000878347420	686569635	/nfs/dbraw/zinc/56/96/35/686569635.db2.gz	JUMSASPFAKMNGZ-ZDUSSCGKSA-N	-1	3	354.357	2.067	20	30		FEEDHM
CCOc1ccc(NC(=O)N[C@H]2CCCN([O-])C2=O)cc1Br	ZINC000879295500	686789347	/nfs/dbraw/zinc/78/93/47/686789347.db2.gz	CXXMJAXPCHYNKO-NSHDSACASA-N	-1	3	372.219	2.350	20	30		FEEDHM
Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)N[C@H]1CCCN([O-])C1=O	ZINC000879404688	686815988	/nfs/dbraw/zinc/81/59/88/686815988.db2.gz	OVSYWNQENLXWMS-QMMMGPOBSA-N	-1	3	369.834	2.304	20	30		FEEDHM
Cc1cc(NC(=O)N[C@@H]2CCCN([O-])C2=O)c(F)cc1Br	ZINC000879585503	686864435	/nfs/dbraw/zinc/86/44/35/686864435.db2.gz	GRMLUSIRUPDFQI-SNVBAGLBSA-N	-1	3	360.183	2.398	20	30		FEEDHM
O=C(Nc1ccc(SC(F)(F)F)nc1)N[C@@H]1CCCN([O-])C1=O	ZINC000879876853	686935523	/nfs/dbraw/zinc/93/55/23/686935523.db2.gz	JSCHVGPOAQSJEZ-MRVPVSSYSA-N	-1	3	350.322	2.195	20	30		FEEDHM
C=C(C)C[C@@H](CO)[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F	ZINC000882846179	687512101	/nfs/dbraw/zinc/51/21/01/687512101.db2.gz	HBROMXKYWXVXSV-VIFPVBQESA-N	-1	3	357.325	2.330	20	30		FEEDHM
C=C(C)C[C@@H](CO)[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)OC	ZINC000882848522	687512876	/nfs/dbraw/zinc/51/28/76/687512876.db2.gz	KNPRSAYCFHLVIH-NSHDSACASA-N	-1	3	369.464	2.293	20	30		FEEDHM
Cc1cc(=O)[n-]c(N2CCN(c3ccc(Br)cc3C#N)CC2)n1	ZINC000884704227	687908187	/nfs/dbraw/zinc/90/81/87/687908187.db2.gz	XYJNVJUDGVIBKR-UHFFFAOYSA-N	-1	3	374.242	2.451	20	30		FEEDHM
C#CCC1([N-]S(=O)(=O)c2cc3nc(Cl)ncc3s2)CCOCC1	ZINC000885842961	688166488	/nfs/dbraw/zinc/16/64/88/688166488.db2.gz	LLYPCZWPGVLGNU-UHFFFAOYSA-N	-1	3	371.871	2.196	20	30		FEEDHM
Cc1ncc(CO)c(/C=N\CC2(n3cc(Br)cn3)CC2)c1[O-]	ZINC000899227113	690322554	/nfs/dbraw/zinc/32/25/54/690322554.db2.gz	FQTSUSRYLMCXHD-FMQZQXMHSA-N	-1	3	365.231	2.155	20	30		FEEDHM
CNS(=O)(=O)c1ccc(Cl)c(C(=O)N([O-])Cc2ccc(F)cc2)c1	ZINC000901376445	690641525	/nfs/dbraw/zinc/64/15/25/690641525.db2.gz	UZQHDZASQMWLBA-UHFFFAOYSA-N	-1	3	372.805	2.419	20	30		FEEDHM
COc1ccc(C)cc1CCNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C	ZINC000016103762	539627603	/nfs/dbraw/zinc/62/76/03/539627603.db2.gz	RNJLBAOILZFISG-UHFFFAOYSA-N	-1	3	367.449	2.472	20	30		FEEDHM
C#CCOCC[N-]S(=O)(=O)c1c(Cl)cccc1Br	ZINC000800931420	674090989	/nfs/dbraw/zinc/09/09/89/674090989.db2.gz	OALNZSOAGNBYOP-UHFFFAOYSA-N	-1	3	352.637	2.031	20	30		FEEDHM
Cc1cc(C(C#N)=C([O-])c2ccc(-n3cncn3)c([N+](=O)[O-])c2)nc(C)n1	ZINC000049405115	540389382	/nfs/dbraw/zinc/38/93/82/540389382.db2.gz	FFLXGGVOKZFZDW-CYBMUJFWSA-N	-1	3	363.337	2.072	20	30		FEEDHM
N#CC1(C(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)CCCC1	ZINC000054214106	540575806	/nfs/dbraw/zinc/57/58/06/540575806.db2.gz	ONKDOMOIVWGMBO-UHFFFAOYSA-N	-1	3	367.496	2.101	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]CCCn2cccn2)c(C(F)(F)F)c1	ZINC000056041091	540696604	/nfs/dbraw/zinc/69/66/04/540696604.db2.gz	ZKEYSKIDGPGJNZ-UHFFFAOYSA-N	-1	3	358.345	2.142	20	30		FEEDHM
CCS(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccccn3)[n-]2)cc1	ZINC000063656563	541177654	/nfs/dbraw/zinc/17/76/54/541177654.db2.gz	HOYZYFCOXAILEE-UHFFFAOYSA-N	-1	3	357.395	2.297	20	30		FEEDHM
CCS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccccn3)n[n-]2)cc1	ZINC000063656563	541177656	/nfs/dbraw/zinc/17/76/56/541177656.db2.gz	HOYZYFCOXAILEE-UHFFFAOYSA-N	-1	3	357.395	2.297	20	30		FEEDHM
CCS(=O)(=O)c1ccc(C(=O)Nc2n[n-]c(-c3ccccn3)n2)cc1	ZINC000063656563	541177659	/nfs/dbraw/zinc/17/76/59/541177659.db2.gz	HOYZYFCOXAILEE-UHFFFAOYSA-N	-1	3	357.395	2.297	20	30		FEEDHM
C=CCCO[C@@H](C)C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1	ZINC000066319913	541301509	/nfs/dbraw/zinc/30/15/09/541301509.db2.gz	AMZSRQUPKYTUOO-LBPRGKRZSA-N	-1	3	356.444	2.377	20	30		FEEDHM
Cn1cccc(C(=O)N=c2ccn(-c3ccc(C#N)cc3Cl)[n-]2)c1=O	ZINC000542971616	541511723	/nfs/dbraw/zinc/51/17/23/541511723.db2.gz	CLKLROJEPSTHKW-UHFFFAOYSA-N	-1	3	353.769	2.348	20	30		FEEDHM
CSc1[n-]c(=O)c(C(=O)NCc2ccccc2CN(C)C)cc1C#N	ZINC000074344969	542072127	/nfs/dbraw/zinc/07/21/27/542072127.db2.gz	UGHFKJLOGOJTSP-UHFFFAOYSA-N	-1	3	356.451	2.372	20	30		FEEDHM
C=CCCO[C@@H](C)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1	ZINC000076920765	542329840	/nfs/dbraw/zinc/32/98/40/542329840.db2.gz	CRDGBYXEVWXWOO-NSHDSACASA-N	-1	3	356.419	2.186	20	30		FEEDHM
N#CC(=C([O-])c1cnn(CC(=O)NC2CCCCC2)c1)c1ccccn1	ZINC000080255664	542578915	/nfs/dbraw/zinc/57/89/15/542578915.db2.gz	NWTVGBZDRPCKRT-INIZCTEOSA-N	-1	3	351.410	2.217	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2F)cc1Cl	ZINC000080781916	542607475	/nfs/dbraw/zinc/60/74/75/542607475.db2.gz	VQJHOLJPUWRTKA-UHFFFAOYSA-N	-1	3	353.762	2.250	20	30		FEEDHM
COC(=O)[C@@H]1CCCCC[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1F	ZINC000119562384	543669467	/nfs/dbraw/zinc/66/94/67/543669467.db2.gz	XXDMKLCBRAVEGX-OCCSQVGLSA-N	-1	3	354.403	2.098	20	30		FEEDHM
N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]Cc1cccc(NC(N)=O)c1	ZINC000123503634	543765757	/nfs/dbraw/zinc/76/57/57/543765757.db2.gz	AHRHRQMKFYYHIY-UHFFFAOYSA-N	-1	3	364.814	2.181	20	30		FEEDHM
CCCCN1CCC([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)CC1	ZINC000124586118	543831221	/nfs/dbraw/zinc/83/12/21/543831221.db2.gz	NTOMBEPJINTOKQ-UHFFFAOYSA-N	-1	3	357.426	2.379	20	30		FEEDHM
CC(C)(C)CNC(=O)C(C)(C)[N-]S(=O)(=O)c1ccc(Cl)cc1C#N	ZINC000128717488	544068899	/nfs/dbraw/zinc/06/88/99/544068899.db2.gz	USYMYWQPPFLLKW-UHFFFAOYSA-N	-1	3	371.890	2.431	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCc1ccc(Cl)nc1	ZINC000151151551	544511064	/nfs/dbraw/zinc/51/10/64/544511064.db2.gz	IPKOSFMWQOPHIO-UHFFFAOYSA-N	-1	3	358.829	2.203	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCCN(c3ccccc3)C2=O)c(F)c1	ZINC000151194250	544515179	/nfs/dbraw/zinc/51/51/79/544515179.db2.gz	AKMIFPBYIIGGRI-INIZCTEOSA-N	-1	3	373.409	2.171	20	30		FEEDHM
Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cc(-n2cnnn2)ccc1Cl	ZINC000180789784	327702072	/nfs/dbraw/zinc/70/20/72/327702072.db2.gz	ZSVNSTSWZAQEAU-UHFFFAOYSA-N	-1	3	374.813	2.297	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC([C@H]2CCCO2)CC1	ZINC000187605512	328035597	/nfs/dbraw/zinc/03/55/97/328035597.db2.gz	FOLBGUWGSXPNHD-GOSISDBHSA-N	-1	3	357.454	2.214	20	30		FEEDHM
COC(=O)c1scc(C)c1S(=O)(=O)[N-]Cc1ccc(C#N)cc1	ZINC000189669387	328160959	/nfs/dbraw/zinc/16/09/59/328160959.db2.gz	IYVROEKOXLKTCP-UHFFFAOYSA-N	-1	3	350.421	2.193	20	30		FEEDHM
N#Cc1c(F)cccc1C(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1	ZINC000190224847	328195611	/nfs/dbraw/zinc/19/56/11/328195611.db2.gz	UZYLQBCVSUZPGX-UHFFFAOYSA-N	-1	3	353.353	2.001	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@](C)(O)C1CCCCC1	ZINC000190487364	328210799	/nfs/dbraw/zinc/21/07/99/328210799.db2.gz	MGEGWVYHKLXMBI-FQEVSTJZSA-N	-1	3	359.470	2.244	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1ccc([N+](=O)[O-])cc1	ZINC000017222229	324388068	/nfs/dbraw/zinc/38/80/68/324388068.db2.gz	ATJBSQFYFWSMRQ-UHFFFAOYSA-N	-1	3	355.350	2.448	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1nc2cc(F)ccc2[nH]1	ZINC000080872983	325145787	/nfs/dbraw/zinc/14/57/87/325145787.db2.gz	OUKQHTLWZCKPPA-UHFFFAOYSA-N	-1	3	367.384	2.128	20	30		FEEDHM
N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1[C@H]2CCO[C@H]2C12CCC2	ZINC000245560869	328558274	/nfs/dbraw/zinc/55/82/74/328558274.db2.gz	UVADUOKAUFEGBK-BPLDGKMQSA-N	-1	3	352.843	2.448	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C	ZINC000124469828	326454521	/nfs/dbraw/zinc/45/45/21/326454521.db2.gz	WYXQNCRNIWTPLB-QGTPRVQTSA-N	-1	3	357.454	2.068	20	30		FEEDHM
N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](CO)Cc1ccccc1	ZINC000125857999	326479156	/nfs/dbraw/zinc/47/91/56/326479156.db2.gz	RORBHJIEVBKTJI-OAHLLOKOSA-N	-1	3	350.827	2.094	20	30		FEEDHM
CS(=O)(=O)c1cc(C(=O)[N-]c2sccc2C#N)cc([N+](=O)[O-])c1	ZINC000129320797	326538538	/nfs/dbraw/zinc/53/85/38/326538538.db2.gz	UGTMKYQNJAIQKF-UHFFFAOYSA-N	-1	3	351.365	2.184	20	30		FEEDHM
Cc1noc(C)c1C[C@H](C)NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C	ZINC000130553706	326559029	/nfs/dbraw/zinc/55/90/29/326559029.db2.gz	GTTRFMCJWNDZJE-JTQLQIEISA-N	-1	3	356.426	2.148	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCC[C@@H]1CCCC[C@H]1O	ZINC000134477597	326626439	/nfs/dbraw/zinc/62/64/39/326626439.db2.gz	WTSBCVFWNHKBCA-MAUKXSAKSA-N	-1	3	359.470	2.244	20	30		FEEDHM
N#Cc1c(F)cccc1OS(=O)(=O)c1c[n-]c(C(=O)N2CCCC2)c1	ZINC000151723514	326689528	/nfs/dbraw/zinc/68/95/28/326689528.db2.gz	SSTOUBWEYFPUMG-UHFFFAOYSA-N	-1	3	363.370	2.029	20	30		FEEDHM
CC(C)C[C@@H](CO)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000158429640	326895781	/nfs/dbraw/zinc/89/57/81/326895781.db2.gz	QLIFDICYGYCQQN-NSHDSACASA-N	-1	3	350.362	2.262	20	30		FEEDHM
C[C@H](NC(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1)c1ccc(C#N)cc1	ZINC000162596942	327029622	/nfs/dbraw/zinc/02/96/22/327029622.db2.gz	KWMRIEPPIRILBB-FKIZINRSSA-N	-1	3	362.389	2.104	20	30		FEEDHM
N#Cc1cc(F)ccc1NC(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1	ZINC000177895436	327551772	/nfs/dbraw/zinc/55/17/72/327551772.db2.gz	KYPHZNBCWNYSIE-UHFFFAOYSA-N	-1	3	368.368	2.393	20	30		FEEDHM
N#Cc1cc(F)ccc1S(=O)(=O)[N-]Cc1ccc(-n2cccn2)cc1	ZINC000178511620	327589624	/nfs/dbraw/zinc/58/96/24/327589624.db2.gz	CNLQIZNZJWHKSI-UHFFFAOYSA-N	-1	3	356.382	2.362	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1C	ZINC000263739351	328958012	/nfs/dbraw/zinc/95/80/12/328958012.db2.gz	DLGPOYDCDPZJCB-DOMZBBRYSA-N	-1	3	372.469	2.114	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@H](C(C)(C)C)[C@H](O)C1	ZINC000272130177	329754376	/nfs/dbraw/zinc/75/43/76/329754376.db2.gz	RZCYFVRTFRUAAF-DLBZAZTESA-N	-1	3	359.470	2.464	20	30		FEEDHM
CCO[C@@H]1C[C@@H](NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)[C@@]12CCCO2	ZINC000274005056	329908246	/nfs/dbraw/zinc/90/82/46/329908246.db2.gz	PVUDGDBTMQRHSR-HLIPFELVSA-N	-1	3	373.453	2.051	20	30		FEEDHM
CC(C)N(Cc1ccc(C#N)cc1)C(=O)CNC(=O)c1cccc([O-])c1	ZINC000275353774	330038465	/nfs/dbraw/zinc/03/84/65/330038465.db2.gz	SMHXAGZNMHJEPV-UHFFFAOYSA-N	-1	3	351.406	2.431	20	30		FEEDHM
CC(C)[N-]S(=O)(=O)c1cc(C(=O)OCCCSCC#N)ccc1F	ZINC000805392308	674334637	/nfs/dbraw/zinc/33/46/37/674334637.db2.gz	IAXHNKPWZXGWAA-UHFFFAOYSA-N	-1	3	374.459	2.316	20	30		FEEDHM
COCc1cccc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)c1	ZINC000156525471	545633464	/nfs/dbraw/zinc/63/34/64/545633464.db2.gz	WBZUKOWBNWORNH-UHFFFAOYSA-N	-1	3	361.379	2.091	20	30		FEEDHM
COCCN(Cc1ccc(C)o1)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C	ZINC000158876284	545901974	/nfs/dbraw/zinc/90/19/74/545901974.db2.gz	NBUWMBZHEWABMR-UHFFFAOYSA-N	-1	3	371.437	2.373	20	30		FEEDHM
C[C@H](NC(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1)c1ccc(C#N)cc1	ZINC000478450093	561167156	/nfs/dbraw/zinc/16/71/56/561167156.db2.gz	OSIQSZCRFURANX-FKIZINRSSA-N	-1	3	362.389	2.104	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(-c2ncon2)cc1	ZINC000171010789	546186048	/nfs/dbraw/zinc/18/60/48/546186048.db2.gz	RPOGWDZPHPTUFD-UHFFFAOYSA-N	-1	3	363.377	2.485	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)c1cccnc1C#N)c1ccc(Br)cn1	ZINC000481249307	561229009	/nfs/dbraw/zinc/22/90/09/561229009.db2.gz	HCTZFPURZBIIEE-SECBINFHSA-N	-1	3	367.228	2.150	20	30		FEEDHM
N#Cc1c(Cl)cccc1S(=O)(=O)[N-]Cc1nncn1-c1ccccc1	ZINC000178510026	546805299	/nfs/dbraw/zinc/80/52/99/546805299.db2.gz	FHAXLFYKIZHIEM-UHFFFAOYSA-N	-1	3	373.825	2.271	20	30		FEEDHM
COc1ccc([N+](=O)[O-])cc1C[N-]S(=O)(=O)c1ccc(F)cc1C#N	ZINC000178518169	546806160	/nfs/dbraw/zinc/80/61/60/546806160.db2.gz	DUSIIGXUHAFJFH-UHFFFAOYSA-N	-1	3	365.342	2.093	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c(Cl)c1	ZINC000180206499	547067685	/nfs/dbraw/zinc/06/76/85/547067685.db2.gz	OSHOIKGCAFTZRS-GLQYFDAESA-N	-1	3	352.843	2.448	20	30		FEEDHM
N#CCN(CC#N)C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1	ZINC000182272903	547464390	/nfs/dbraw/zinc/46/43/90/547464390.db2.gz	SVXIFMSBZYWSJR-SFHVURJKSA-N	-1	3	362.389	2.129	20	30		FEEDHM
N#CCCCC[N-]S(=O)(=O)c1cc(Br)cc2c1OCC2	ZINC000185960544	548065327	/nfs/dbraw/zinc/06/53/27/548065327.db2.gz	FXDXERNFDSXNOA-UHFFFAOYSA-N	-1	3	359.245	2.356	20	30		FEEDHM
Cc1ccc(N(CCC#N)C(=O)C[N-]S(=O)(=O)c2cccs2)cc1	ZINC000263873678	549949129	/nfs/dbraw/zinc/94/91/29/549949129.db2.gz	UTYKNUJORAZGSO-UHFFFAOYSA-N	-1	3	363.464	2.282	20	30		FEEDHM
C=C(Cl)C[N-]S(=O)(=O)c1cc(Br)c(OC)cc1OC	ZINC000267082119	550027143	/nfs/dbraw/zinc/02/71/43/550027143.db2.gz	SGVPVJVJLKTSKP-UHFFFAOYSA-N	-1	3	370.652	2.497	20	30		FEEDHM
C=CCCOCCNC(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1	ZINC000270405313	550269484	/nfs/dbraw/zinc/26/94/84/550269484.db2.gz	CXHRDZIMHODYPY-UHFFFAOYSA-N	-1	3	361.442	2.345	20	30		FEEDHM
CC(C)(C)CN(CCC#N)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000271242866	550357103	/nfs/dbraw/zinc/35/71/03/550357103.db2.gz	HXYDMNOOZVJYET-UHFFFAOYSA-N	-1	3	353.444	2.166	20	30		FEEDHM
C=CCc1cc(C(=O)N2CCc3c(nc[n-]c3=O)C2)cc(OC)c1OC	ZINC000273303328	550493851	/nfs/dbraw/zinc/49/38/51/550493851.db2.gz	WPFBTXNCBBCTGJ-UHFFFAOYSA-N	-1	3	355.394	2.126	20	30		FEEDHM
C=CCCO[C@@H](C)c1nc(-c2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)no1	ZINC000273826763	550512872	/nfs/dbraw/zinc/51/28/72/550512872.db2.gz	VWZZRXFSANABIP-BBATYDOGSA-N	-1	3	356.382	2.445	20	30		FEEDHM
COc1cc(S(=O)(=O)[N-]CCCC#N)c(OC)cc1Br	ZINC000275430848	550572274	/nfs/dbraw/zinc/57/22/74/550572274.db2.gz	BDLCLUVMSLHSKS-UHFFFAOYSA-N	-1	3	363.233	2.048	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-][C@H]1CCO[C@@H](c2ccc(F)cc2)C1	ZINC000277210524	550643784	/nfs/dbraw/zinc/64/37/84/550643784.db2.gz	QQIXMRZYRPFLRN-GOEBONIOSA-N	-1	3	361.398	2.291	20	30		FEEDHM
C=C(C)[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(C(=O)OC)ccc1Cl	ZINC000280504814	551001202	/nfs/dbraw/zinc/00/12/02/551001202.db2.gz	CMCDGBKYDCMUJM-WFASDCNBSA-N	-1	3	373.858	2.386	20	30		FEEDHM
C=CCSc1ccccc1NC(=O)CN1CCC(c2nc(=O)[n-][nH]2)CC1	ZINC000280966418	551050355	/nfs/dbraw/zinc/05/03/55/551050355.db2.gz	KCLMCBKXXRZLJJ-UHFFFAOYSA-N	-1	3	373.482	2.194	20	30		FEEDHM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC1CCC(C#N)CC1	ZINC000282619528	551252704	/nfs/dbraw/zinc/25/27/04/551252704.db2.gz	RYEAYKIYHPTHHO-UHFFFAOYSA-N	-1	3	353.400	2.212	20	30		FEEDHM
C[C@H](C#N)CN(C)S(=O)(=O)[N-][C@@H](c1nccs1)c1ccccc1	ZINC000282761285	551267637	/nfs/dbraw/zinc/26/76/37/551267637.db2.gz	VHWFKFAREHCKEY-TZMCWYRMSA-N	-1	3	350.469	2.158	20	30		FEEDHM
N#CCCn1ccc(N2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)n1	ZINC000285839573	551817629	/nfs/dbraw/zinc/81/76/29/551817629.db2.gz	BAZALQBBXZCFBZ-UHFFFAOYSA-N	-1	3	359.773	2.125	20	30		FEEDHM
CC(C)(C(=O)NCCNC(=O)c1ccc([O-])cc1)c1cc(F)cc(C#N)c1	ZINC000286769585	551924138	/nfs/dbraw/zinc/92/41/38/551924138.db2.gz	NJWGYMCJALLADO-UHFFFAOYSA-N	-1	3	369.396	2.227	20	30		FEEDHM
C[C@H]1COCC[C@H]1C[N-]S(=O)(=O)c1cccc(Br)c1C#N	ZINC000286861461	551934154	/nfs/dbraw/zinc/93/41/54/551934154.db2.gz	XYINVWCXMJUNGQ-QWRGUYRKSA-N	-1	3	373.272	2.272	20	30		FEEDHM
C=CCOc1cccc(NC(=O)N2CCC[C@@H]2C[C@]2(C)NC(=O)[N-]C2=O)c1	ZINC000287073288	551960128	/nfs/dbraw/zinc/96/01/28/551960128.db2.gz	QDQDJJSZZFGWAR-KUHUBIRLSA-N	-1	3	372.425	2.236	20	30		FEEDHM
C=C(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cccnc1C(F)(F)F	ZINC000287484898	552010372	/nfs/dbraw/zinc/01/03/72/552010372.db2.gz	SZINIDIBHPLKOP-PWSUYJOCSA-N	-1	3	350.362	2.360	20	30		FEEDHM
C=CCn1c(CC(C)C)nnc1N1CCN(C(=O)c2ccccc2[O-])CC1	ZINC000289592088	552346028	/nfs/dbraw/zinc/34/60/28/552346028.db2.gz	ICZXPVPCVVZSCK-UHFFFAOYSA-N	-1	3	369.469	2.331	20	30		FEEDHM
CCCN(CCS(=O)(=O)c1ccc(C#N)cn1)Cc1ccccc1[O-]	ZINC000290183239	552439326	/nfs/dbraw/zinc/43/93/26/552439326.db2.gz	FLTDIEKRKRQTDG-UHFFFAOYSA-N	-1	3	359.451	2.345	20	30		FEEDHM
C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cc([O-])ccc1Cl	ZINC000290294966	552455569	/nfs/dbraw/zinc/45/55/69/552455569.db2.gz	DMPRDAQZADISED-LLVKDONJSA-N	-1	3	357.801	2.058	20	30		FEEDHM
C=CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000291902747	552673176	/nfs/dbraw/zinc/67/31/76/552673176.db2.gz	QVILDIRBNSINCG-UHFFFAOYSA-N	-1	3	358.485	2.179	20	30		FEEDHM
CC[C@@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2ccc(C#N)c(F)c2)n[nH]1	ZINC000292589092	552741081	/nfs/dbraw/zinc/74/10/81/552741081.db2.gz	MJIWULLJAXQBKA-NXEZZACHSA-N	-1	3	351.407	2.368	20	30		FEEDHM
C=CCCCS(=O)(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1	ZINC000293094283	552788267	/nfs/dbraw/zinc/78/82/67/552788267.db2.gz	TXHYOCPWWNAMTH-UHFFFAOYSA-N	-1	3	352.456	2.339	20	30		FEEDHM
CC[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1C#N)C(C)(C)O	ZINC000293703162	552848686	/nfs/dbraw/zinc/84/86/86/552848686.db2.gz	DASMVCUCQPTHMW-GFCCVEGCSA-N	-1	3	361.261	2.149	20	30		FEEDHM
CC[C@H](CC#N)[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1	ZINC000295161346	552965042	/nfs/dbraw/zinc/96/50/42/552965042.db2.gz	OSYJKMLHSFVSHU-SSDOTTSWSA-N	-1	3	352.641	2.468	20	30		FEEDHM
C#Cc1cccc(NC(=O)C[N-]S(=O)(=O)C[C@@H]2CCCCC2(F)F)c1	ZINC000296718643	553202411	/nfs/dbraw/zinc/20/24/11/553202411.db2.gz	MSTGPQNOMWYNRB-AWEZNQCLSA-N	-1	3	370.421	2.351	20	30		FEEDHM
Cc1ncc(CO)c(/C=N/Cc2ccccc2CN2CCCC2=O)c1[O-]	ZINC000298330477	553413325	/nfs/dbraw/zinc/41/33/25/553413325.db2.gz	YDSPTIHTBDAZCM-SRZZPIQSSA-N	-1	3	353.422	2.329	20	30		FEEDHM
C=CCN(C)S(=O)(=O)c1ccc([N-]C(=O)c2cc(OCC)no2)cc1	ZINC000298627864	553451148	/nfs/dbraw/zinc/45/11/48/553451148.db2.gz	UFWDFALOCAFLJZ-UHFFFAOYSA-N	-1	3	365.411	2.132	20	30		FEEDHM
Cc1cc(C)c(CCNC(=O)CN2CCN3C(=O)[N-]C(=O)[C@H]3C2)c(C)c1	ZINC000329411443	553941412	/nfs/dbraw/zinc/94/14/12/553941412.db2.gz	DFWZOXGQECUYPG-MRXNPFEDSA-N	-1	3	358.442	2.187	20	30		FEEDHM
O=C(Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)N1C[C@@H]2CCC[C@H]21	ZINC000329469846	553952371	/nfs/dbraw/zinc/95/23/71/553952371.db2.gz	YIYWWBQNFIUCIO-IINYFYTJSA-N	-1	3	353.419	2.296	20	30		FEEDHM
C[C@@H]1C[C@H](CNC(=O)N2CCC[C@@H]2C[C@]2(C)NC(=O)[N-]C2=O)CCO1	ZINC000329510436	553960020	/nfs/dbraw/zinc/96/00/20/553960020.db2.gz	BRVMLHYRYLJTJK-ZFRZLUBXSA-N	-1	3	352.435	2.213	20	30		FEEDHM
CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)[N-][C@@]1(C#N)CCC[C@H](C)C1	ZINC000330321087	554104855	/nfs/dbraw/zinc/10/48/55/554104855.db2.gz	SAEZZKQRWZFJMF-UAGQMJEPSA-N	-1	3	355.504	2.169	20	30		FEEDHM
C[C@H](CC#N)N(C)S(=O)(=O)[N-][C@@H](C)c1nc(C2CCCCC2)no1	ZINC000330410001	554117796	/nfs/dbraw/zinc/11/77/96/554117796.db2.gz	JGJUNCUXALIHDG-NEPJUHHUSA-N	-1	3	355.464	2.247	20	30		FEEDHM
CC(C)[C@H](C#N)[N-]S(=O)(=O)c1cc(Br)cc2c1OCC2	ZINC000330929123	554190159	/nfs/dbraw/zinc/19/01/59/554190159.db2.gz	YCKIKNYMFOSODM-NSHDSACASA-N	-1	3	359.245	2.210	20	30		FEEDHM
CCNC(=O)N(C)c1cccc([N-]S(=O)(=O)C[C@@H]2CCCCO2)c1	ZINC000331059981	554207997	/nfs/dbraw/zinc/20/79/97/554207997.db2.gz	NEPOKYFOJJAPQF-HNNXBMFYSA-N	-1	3	355.460	2.368	20	30		FEEDHM
N#C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2cc(Br)cc3c2OCC3)C1	ZINC000331494601	554274630	/nfs/dbraw/zinc/27/46/30/554274630.db2.gz	GVOIJRXNOPZOJO-JOYOIKCWSA-N	-1	3	371.256	2.355	20	30		FEEDHM
Cn1ncc2c1CCC[C@@H]2[N-]S(=O)(=O)c1cccc(Cl)c1C#N	ZINC000331911225	554345277	/nfs/dbraw/zinc/34/52/77/554345277.db2.gz	YJPUZQKKEIMCEF-ZDUSSCGKSA-N	-1	3	350.831	2.301	20	30		FEEDHM
Cn1cc(C#N)c(=NC(=O)NCc2ccc(OCCN3CCCC3)cc2)[n-]1	ZINC000610560846	554528733	/nfs/dbraw/zinc/52/87/33/554528733.db2.gz	XLAJAHSZLVADEY-UHFFFAOYSA-N	-1	3	368.441	2.088	20	30		FEEDHM
C=CCn1cccc1-c1nc(-c2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)no1	ZINC000349899746	554748133	/nfs/dbraw/zinc/74/81/33/554748133.db2.gz	PWPLOKKPJLQSHZ-IBGZPJMESA-N	-1	3	363.377	2.446	20	30		FEEDHM
C=C(C)C[C@H](C)C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl	ZINC000511977835	561887674	/nfs/dbraw/zinc/88/76/74/561887674.db2.gz	QKVLRNCKCSGJPG-NSHDSACASA-N	-1	3	362.854	2.476	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCOC[C@@H]1c1cccn1C	ZINC000364043308	555239321	/nfs/dbraw/zinc/23/93/21/555239321.db2.gz	RQUQJIFRHAUBQK-GOSISDBHSA-N	-1	3	368.437	2.147	20	30		FEEDHM
CN1CC[C@H]([N-]S(=O)(=O)c2ccc(C#N)s2)[C@H]1c1ccc(F)cc1	ZINC000366622346	555893001	/nfs/dbraw/zinc/89/30/01/555893001.db2.gz	NGRFDQDNYNTYBS-GOEBONIOSA-N	-1	3	365.455	2.483	20	30		FEEDHM
COc1cccc2c1OCC[C@@H]2[N-]S(=O)(=O)c1ccc(C#N)s1	ZINC000366682217	555907959	/nfs/dbraw/zinc/90/79/59/555907959.db2.gz	WVKVJBUQITZTPG-LBPRGKRZSA-N	-1	3	350.421	2.430	20	30		FEEDHM
Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccnc(NC(=O)C4CC4)c3)nc1-2	ZINC000515318868	562005065	/nfs/dbraw/zinc/00/50/65/562005065.db2.gz	VDALEBSOAVPGLT-ZDUSSCGKSA-N	-1	3	360.377	2.500	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCO[C@@H]2C2CC2)c(C(F)(F)F)c1	ZINC000371217855	557109834	/nfs/dbraw/zinc/10/98/34/557109834.db2.gz	YRRONQDJSWFLOX-GXTWGEPZSA-N	-1	3	360.357	2.423	20	30		FEEDHM
C=C[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1ccc(F)cc1Br	ZINC000519685997	562139799	/nfs/dbraw/zinc/13/97/99/562139799.db2.gz	GSLNQCVLWIQGOP-MNOVXSKESA-N	-1	3	350.209	2.210	20	30		FEEDHM
Cc1nc(C)c(CCC(=O)N2CCC[C@@]3(CCCCO3)[C@@H]2C#N)c(=O)[n-]1	ZINC000373369339	557680616	/nfs/dbraw/zinc/68/06/16/557680616.db2.gz	NKEFLPCYTIVRJE-LPHOPBHVSA-N	-1	3	358.442	2.186	20	30		FEEDHM
Cc1ccc(N2CCC([N-]S(=O)(=O)c3ccc(C#N)s3)CC2)nc1	ZINC000373742181	557749216	/nfs/dbraw/zinc/74/92/16/557749216.db2.gz	DGJPDGQTNNLNGS-UHFFFAOYSA-N	-1	3	362.480	2.271	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-][C@@H](c1nccs1)c1ccccc1	ZINC000373781044	557757879	/nfs/dbraw/zinc/75/78/79/557757879.db2.gz	PIAUODBSWSEVLR-OAHLLOKOSA-N	-1	3	356.432	2.478	20	30		FEEDHM
N#Cc1cc([N+](=O)[O-])ccc1N1CC(S(=O)(=O)[N-]c2ccccc2)C1	ZINC000374718709	557920728	/nfs/dbraw/zinc/92/07/28/557920728.db2.gz	PECLCIYEQPWQKA-UHFFFAOYSA-N	-1	3	358.379	2.097	20	30		FEEDHM
CC[C@H](C)C[C@@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C(=O)OC	ZINC000522006139	562188877	/nfs/dbraw/zinc/18/88/77/562188877.db2.gz	VLXUWFOWRGDSMR-MEDUHNTESA-N	-1	3	361.442	2.302	20	30		FEEDHM
C=CC[C@@H](CC)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1	ZINC000410126446	558740395	/nfs/dbraw/zinc/74/03/95/558740395.db2.gz	ZRFHAMZKCRILBA-OAHLLOKOSA-N	-1	3	359.451	2.389	20	30		FEEDHM
CN(CC(F)F)C(=O)C(=O)[N-][C@@H](c1c(F)cccc1F)C(F)(F)F	ZINC000411212099	558853839	/nfs/dbraw/zinc/85/38/39/558853839.db2.gz	UPKRFYHMOJSCCA-JTQLQIEISA-N	-1	3	360.229	2.408	20	30		FEEDHM
O=C([N-][C@@H](c1c(F)cccc1F)C(F)(F)F)C(=O)N[C@H]1C[C@@H]1C(F)F	ZINC000411541141	558913542	/nfs/dbraw/zinc/91/35/42/558913542.db2.gz	OINDUKXENQZAHW-MAHGNNSGSA-N	-1	3	372.240	2.454	20	30		FEEDHM
CC(C)n1cnnc1C[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1	ZINC000414462706	559165695	/nfs/dbraw/zinc/16/56/95/559165695.db2.gz	FUIVRQIHJQEZCX-UHFFFAOYSA-N	-1	3	373.360	2.228	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-]Cc1cccc(OCC(F)F)c1	ZINC000428248254	559772215	/nfs/dbraw/zinc/77/22/15/559772215.db2.gz	VNBSBEZMGCEEIH-UHFFFAOYSA-N	-1	3	353.350	2.076	20	30		FEEDHM
C[C@@H](C[N-]S(=O)(=O)c1cccnc1C#N)Oc1ccccc1Cl	ZINC000428372048	559774182	/nfs/dbraw/zinc/77/41/82/559774182.db2.gz	HWTORDIGYXXZFH-NSHDSACASA-N	-1	3	351.815	2.352	20	30		FEEDHM
C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C#N)c2ccc(Cl)cc2)c(C)o1	ZINC000434000740	559892447	/nfs/dbraw/zinc/89/24/47/559892447.db2.gz	DEKJRZIQMJSWHI-CYBMUJFWSA-N	-1	3	367.814	2.144	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-][C@@H](Cc2ccccc2)[C@@H](O)C(F)F)s1	ZINC000435437566	559922968	/nfs/dbraw/zinc/92/29/68/559922968.db2.gz	LIYZEVOBXZZGLY-GXTWGEPZSA-N	-1	3	372.418	2.135	20	30		FEEDHM
C=CCN(C(=O)c1ccc(O)cc1[O-])[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000436695779	559949209	/nfs/dbraw/zinc/94/92/09/559949209.db2.gz	FVPVBEDVXBHGGL-ZDUSSCGKSA-N	-1	3	365.393	2.463	20	30		FEEDHM
N#CC[C@@H](CC(=O)NCCNC(=O)c1ccc([O-])cc1)c1ccccc1	ZINC000436978389	559958402	/nfs/dbraw/zinc/95/84/02/559958402.db2.gz	HHUVXJDUXMJLCD-KRWDZBQOSA-N	-1	3	351.406	2.326	20	30		FEEDHM
C=C[C@@](C)(CCOC)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1[O-]	ZINC000438162237	559975049	/nfs/dbraw/zinc/97/50/49/559975049.db2.gz	SLMSIKRMPUPQSL-KRWDZBQOSA-N	-1	3	368.455	2.099	20	30		FEEDHM
CCC[C@@H](C#N)NC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1	ZINC000527453948	562288367	/nfs/dbraw/zinc/28/83/67/562288367.db2.gz	SKTRKVRCNXRTDS-NSHDSACASA-N	-1	3	363.361	2.499	20	30		FEEDHM
C[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1C#N)N1CCc2ccccc21	ZINC000443027219	560066582	/nfs/dbraw/zinc/06/65/82/560066582.db2.gz	MWUMWGGFKMSYAF-ZDUSSCGKSA-N	-1	3	359.426	2.427	20	30		FEEDHM
N#CC1(CS(=O)(=O)[N-][C@@H](c2nc[nH]n2)c2ccccc2)CCCCC1	ZINC000445731135	560134397	/nfs/dbraw/zinc/13/43/97/560134397.db2.gz	GVWVJMURNFBVCC-OAHLLOKOSA-N	-1	3	359.455	2.288	20	30		FEEDHM
C[C@H]1C[C@]1(C#N)C(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1	ZINC000448596085	560192009	/nfs/dbraw/zinc/19/20/09/560192009.db2.gz	KDMKAHNAOVUCIF-TVQRCGJNSA-N	-1	3	361.345	2.015	20	30		FEEDHM
C=CCC1(C(=O)NCC(=O)Nc2cccc3c(=O)[nH][n-]c(=O)c23)CCCC1	ZINC000449825583	560241547	/nfs/dbraw/zinc/24/15/47/560241547.db2.gz	PMJDXQMUISUBEF-UHFFFAOYSA-N	-1	3	370.409	2.232	20	30		FEEDHM
C=CCC1(C(=O)NCC(=O)Nc2cccc3c(=O)[n-][nH]c(=O)c23)CCCC1	ZINC000449825583	560241548	/nfs/dbraw/zinc/24/15/48/560241548.db2.gz	PMJDXQMUISUBEF-UHFFFAOYSA-N	-1	3	370.409	2.232	20	30		FEEDHM
C[C@H]1C[C@@]1(C#N)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1	ZINC000449978338	560246865	/nfs/dbraw/zinc/24/68/65/560246865.db2.gz	MKGPWCYJUJSXQQ-QFYYESIMSA-N	-1	3	353.419	2.391	20	30		FEEDHM
N#Cc1c(Br)cccc1OCC(=O)[N-]c1nncn1C1CC1	ZINC000451523642	560311945	/nfs/dbraw/zinc/31/19/45/560311945.db2.gz	AQGDQADNXKWDFA-UHFFFAOYSA-N	-1	3	362.187	2.265	20	30		FEEDHM
C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1cc(F)cc(C(=O)OCC)c1	ZINC000451909732	560336641	/nfs/dbraw/zinc/33/66/41/560336641.db2.gz	LRCKWIKGMCURQF-CABCVRRESA-N	-1	3	357.403	2.014	20	30		FEEDHM
CO[C@H]([C@H](C)[N-]S(=O)(=O)c1cccc(Br)c1C#N)C1CC1	ZINC000451973751	560341577	/nfs/dbraw/zinc/34/15/77/560341577.db2.gz	RCHKTPISGWLHBY-LKFCYVNXSA-N	-1	3	373.272	2.413	20	30		FEEDHM
C=CCC[C@H](CO)[N-]S(=O)(=O)c1cc(F)ccc1Br	ZINC000452023199	560346192	/nfs/dbraw/zinc/34/61/92/560346192.db2.gz	MXFUBEAEILVIMX-SNVBAGLBSA-N	-1	3	352.225	2.194	20	30		FEEDHM
C=CCC[C@@H](CO)[N-]S(=O)(=O)c1cccc(Br)c1F	ZINC000452027461	560346455	/nfs/dbraw/zinc/34/64/55/560346455.db2.gz	FGBCGEAPONIXQC-VIFPVBQESA-N	-1	3	352.225	2.194	20	30		FEEDHM
C=C(C)CCNC(=O)c1cc(C2CC2)nc2c1c(=O)[n-]c(=O)n2CCC	ZINC000452725267	560372263	/nfs/dbraw/zinc/37/22/63/560372263.db2.gz	RYUMTNDNWBRMAB-UHFFFAOYSA-N	-1	3	356.426	2.481	20	30		FEEDHM
C=CC(C)(C)CNC(=O)c1cc(C2CC2)nc2c1c(=O)[n-]c(=O)n2CC	ZINC000452778494	560373692	/nfs/dbraw/zinc/37/36/92/560373692.db2.gz	XYCLCYPHBITWMJ-UHFFFAOYSA-N	-1	3	356.426	2.336	20	30		FEEDHM
CC(C)(CC#N)CNC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1	ZINC000459456512	560687369	/nfs/dbraw/zinc/68/73/69/560687369.db2.gz	FHHLXXBDSKUROO-UHFFFAOYSA-N	-1	3	368.434	2.328	20	30		FEEDHM
CO[C@@H](CC[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1)C(F)(F)F	ZINC000468904054	560941873	/nfs/dbraw/zinc/94/18/73/560941873.db2.gz	IXSYFJPYEZZHFS-NSHDSACASA-N	-1	3	356.753	2.457	20	30		FEEDHM
COCc1nc(S[C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)n[n-]1	ZINC000474399251	561073184	/nfs/dbraw/zinc/07/31/84/561073184.db2.gz	YKNYGDXLJSINNT-BGMSHATGSA-N	-1	3	351.476	2.363	20	30		FEEDHM
CCC(C#N)(CC)c1nc(-c2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)no1	ZINC000528122061	562314850	/nfs/dbraw/zinc/31/48/50/562314850.db2.gz	GGFAUBANDNOKRM-KRWDZBQOSA-N	-1	3	353.382	2.373	20	30		FEEDHM
CCc1ccc(NC(=O)C(C#N)=C([O-])c2cnn(CCCOC)c2)cc1	ZINC000528921776	562352902	/nfs/dbraw/zinc/35/29/02/562352902.db2.gz	VQGDGSWAHBYYNA-QGZVFWFLSA-N	-1	3	354.410	2.443	20	30		FEEDHM
COC(=O)[C@@H]([N-]S(=O)(=O)Cc1cccc(C#N)c1)C1CCCCC1	ZINC000532297514	562473145	/nfs/dbraw/zinc/47/31/45/562473145.db2.gz	KHKZTNVNGSREBU-INIZCTEOSA-N	-1	3	350.440	2.100	20	30		FEEDHM
COC(=O)c1sc2[n-]c(CN(C[C@H](C)C#N)C3CC3)nc(=O)c2c1C	ZINC000532818865	562489814	/nfs/dbraw/zinc/48/98/14/562489814.db2.gz	UXWPXBUHBOVNGI-SECBINFHSA-N	-1	3	360.439	2.204	20	30		FEEDHM
CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H](C#N)CCC)cc1	ZINC000533090591	562498000	/nfs/dbraw/zinc/49/80/00/562498000.db2.gz	JSCSRQFBVUAHOF-CQSZACIVSA-N	-1	3	373.500	2.199	20	30		FEEDHM
OCc1ccc(C=NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)o1	ZINC000738396023	598825512	/nfs/dbraw/zinc/82/55/12/598825512.db2.gz	DBBCMMPNOSOFNP-UHFFFAOYSA-N	-1	3	352.276	2.417	20	30		FEEDHM
OCc1ccc(C=NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)o1	ZINC000738396023	598825514	/nfs/dbraw/zinc/82/55/14/598825514.db2.gz	DBBCMMPNOSOFNP-UHFFFAOYSA-N	-1	3	352.276	2.417	20	30		FEEDHM
N#Cc1cc(NC(=O)Cc2cnn(-c3ccccc3)c2)ccc1-c1nnn[n-]1	ZINC000737708270	598923629	/nfs/dbraw/zinc/92/36/29/598923629.db2.gz	DTWZEKWGRXEWQR-UHFFFAOYSA-N	-1	3	370.376	2.105	20	30		FEEDHM
N#Cc1cc(NC(=O)Cc2cnn(-c3ccccc3)c2)ccc1-c1nn[n-]n1	ZINC000737708270	598923632	/nfs/dbraw/zinc/92/36/32/598923632.db2.gz	DTWZEKWGRXEWQR-UHFFFAOYSA-N	-1	3	370.376	2.105	20	30		FEEDHM
N#Cc1ccc(NC(=O)C2=NO[C@@H](c3ccccc3)C2)cc1-c1nnn[n-]1	ZINC000737715891	598927353	/nfs/dbraw/zinc/92/73/53/598927353.db2.gz	GZEWIPFHRURAQX-MRXNPFEDSA-N	-1	3	359.349	2.194	20	30		FEEDHM
N#Cc1ccc(NC(=O)C2=NO[C@@H](c3ccccc3)C2)cc1-c1nn[n-]n1	ZINC000737715891	598927354	/nfs/dbraw/zinc/92/73/54/598927354.db2.gz	GZEWIPFHRURAQX-MRXNPFEDSA-N	-1	3	359.349	2.194	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2cc(-c3cccnc3)on2)cc1-c1nnn[n-]1	ZINC000737715537	598928646	/nfs/dbraw/zinc/92/86/46/598928646.db2.gz	AKYKRFWFEODTGW-UHFFFAOYSA-N	-1	3	358.321	2.041	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2cc(-c3cccnc3)on2)cc1-c1nn[n-]n1	ZINC000737715537	598928648	/nfs/dbraw/zinc/92/86/48/598928648.db2.gz	AKYKRFWFEODTGW-UHFFFAOYSA-N	-1	3	358.321	2.041	20	30		FEEDHM
COc1ccc(-c2n[nH]cc2C=NNCc2ccc(-c3nnn[n-]3)cc2)cc1	ZINC000821732499	607253386	/nfs/dbraw/zinc/25/33/86/607253386.db2.gz	OSSDKJHFHLGCJC-UHFFFAOYSA-N	-1	3	374.408	2.389	20	30		FEEDHM
COc1ccc(-c2n[nH]cc2C=NNCc2ccc(-c3nn[n-]n3)cc2)cc1	ZINC000821732499	607253387	/nfs/dbraw/zinc/25/33/87/607253387.db2.gz	OSSDKJHFHLGCJC-UHFFFAOYSA-N	-1	3	374.408	2.389	20	30		FEEDHM
C=CC[C@H](NC(=O)COc1ccccc1-c1nnn[n-]1)c1ccncc1	ZINC000735409578	598969170	/nfs/dbraw/zinc/96/91/70/598969170.db2.gz	GDKOLDGDUKIITQ-HNNXBMFYSA-N	-1	3	350.382	2.074	20	30		FEEDHM
C=CC[C@H](NC(=O)COc1ccccc1-c1nn[n-]n1)c1ccncc1	ZINC000735409578	598969172	/nfs/dbraw/zinc/96/91/72/598969172.db2.gz	GDKOLDGDUKIITQ-HNNXBMFYSA-N	-1	3	350.382	2.074	20	30		FEEDHM
COc1ccc(C=NNC(=S)N[C@@H]2CCCC[C@H]2C)cc1-c1nnn[n-]1	ZINC000737082436	599126652	/nfs/dbraw/zinc/12/66/52/599126652.db2.gz	VEGCTBGLYYCQBU-BXUZGUMPSA-N	-1	3	373.486	2.252	20	30		FEEDHM
COc1ccc(C=NNC(=S)N[C@@H]2CCCC[C@H]2C)cc1-c1nn[n-]n1	ZINC000737082436	599126654	/nfs/dbraw/zinc/12/66/54/599126654.db2.gz	VEGCTBGLYYCQBU-BXUZGUMPSA-N	-1	3	373.486	2.252	20	30		FEEDHM
CN(Cc1cccc(C#N)c1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F	ZINC000736821275	598328117	/nfs/dbraw/zinc/32/81/17/598328117.db2.gz	BRROQHJAYTXMAF-UHFFFAOYSA-N	-1	3	365.372	2.219	20	30		FEEDHM
CN(Cc1cccc(C#N)c1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F	ZINC000736821275	598328118	/nfs/dbraw/zinc/32/81/18/598328118.db2.gz	BRROQHJAYTXMAF-UHFFFAOYSA-N	-1	3	365.372	2.219	20	30		FEEDHM
C[C@H](CC#N)NC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1	ZINC000735964452	598331368	/nfs/dbraw/zinc/33/13/68/598331368.db2.gz	ZQTAHAVJLRHWDW-LLVKDONJSA-N	-1	3	352.354	2.071	20	30		FEEDHM
C[C@H](CC#N)NC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1	ZINC000735964452	598331371	/nfs/dbraw/zinc/33/13/71/598331371.db2.gz	ZQTAHAVJLRHWDW-LLVKDONJSA-N	-1	3	352.354	2.071	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1c(C)nn(C)c1C	ZINC000735421428	598395094	/nfs/dbraw/zinc/39/50/94/598395094.db2.gz	ZIVDMDPGBGUDSF-UHFFFAOYSA-N	-1	3	351.414	2.045	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1c(C)nn(C)c1C	ZINC000735421428	598395095	/nfs/dbraw/zinc/39/50/95/598395095.db2.gz	ZIVDMDPGBGUDSF-UHFFFAOYSA-N	-1	3	351.414	2.045	20	30		FEEDHM
N#C[C@H](NC(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1)C1CC1	ZINC000737673706	598536516	/nfs/dbraw/zinc/53/65/16/598536516.db2.gz	CLIBBABPDSVUAL-SFHVURJKSA-N	-1	3	374.404	2.478	20	30		FEEDHM
N#C[C@H](NC(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1)C1CC1	ZINC000737673706	598536517	/nfs/dbraw/zinc/53/65/17/598536517.db2.gz	CLIBBABPDSVUAL-SFHVURJKSA-N	-1	3	374.404	2.478	20	30		FEEDHM
C#CCN(CC)C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1	ZINC000735374969	598540299	/nfs/dbraw/zinc/54/02/99/598540299.db2.gz	PWSMYJZINFKIFN-UHFFFAOYSA-N	-1	3	351.366	2.134	20	30		FEEDHM
N#CCCN(C(=O)COc1ccc(-c2nnn[n-]2)c(F)c1)c1ccccc1	ZINC000737688027	598548972	/nfs/dbraw/zinc/54/89/72/598548972.db2.gz	YMUOYGCNGAHOPJ-UHFFFAOYSA-N	-1	3	366.356	2.331	20	30		FEEDHM
N#CCCN(C(=O)COc1ccc(-c2nn[n-]n2)c(F)c1)c1ccccc1	ZINC000737688027	598548974	/nfs/dbraw/zinc/54/89/74/598548974.db2.gz	YMUOYGCNGAHOPJ-UHFFFAOYSA-N	-1	3	366.356	2.331	20	30		FEEDHM
C=CCOc1ccccc1C(=O)OCC(=O)c1ccc(-c2nnn[n-]2)cc1	ZINC000823931656	607361801	/nfs/dbraw/zinc/36/18/01/607361801.db2.gz	CNMOJVKTPMLYGM-UHFFFAOYSA-N	-1	3	364.361	2.471	20	30		FEEDHM
C=CCOc1ccccc1C(=O)OCC(=O)c1ccc(-c2nn[n-]n2)cc1	ZINC000823931656	607361803	/nfs/dbraw/zinc/36/18/03/607361803.db2.gz	CNMOJVKTPMLYGM-UHFFFAOYSA-N	-1	3	364.361	2.471	20	30		FEEDHM
C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1	ZINC000736191491	598585776	/nfs/dbraw/zinc/58/57/76/598585776.db2.gz	ZULGZKXNXYAVQL-JTQLQIEISA-N	-1	3	352.329	2.283	20	30		FEEDHM
C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1	ZINC000736191491	598585778	/nfs/dbraw/zinc/58/57/78/598585778.db2.gz	ZULGZKXNXYAVQL-JTQLQIEISA-N	-1	3	352.329	2.283	20	30		FEEDHM
N#Cc1cccc(OCCCCC(=O)Nc2ccc(-c3nnn[n-]3)cn2)c1	ZINC000737730010	598663064	/nfs/dbraw/zinc/66/30/64/598663064.db2.gz	CSBBFNMDMFABMD-UHFFFAOYSA-N	-1	3	363.381	2.321	20	30		FEEDHM
N#Cc1cccc(OCCCCC(=O)Nc2ccc(-c3nn[n-]n3)cn2)c1	ZINC000737730010	598663065	/nfs/dbraw/zinc/66/30/65/598663065.db2.gz	CSBBFNMDMFABMD-UHFFFAOYSA-N	-1	3	363.381	2.321	20	30		FEEDHM
CC(C)[C@@](C)(C#N)NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1	ZINC000735690114	598686091	/nfs/dbraw/zinc/68/60/91/598686091.db2.gz	HCRDHMKLTXWZIC-GOSISDBHSA-N	-1	3	356.430	2.470	20	30		FEEDHM
CC(C)[C@@](C)(C#N)NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1	ZINC000735690114	598686092	/nfs/dbraw/zinc/68/60/92/598686092.db2.gz	HCRDHMKLTXWZIC-GOSISDBHSA-N	-1	3	356.430	2.470	20	30		FEEDHM
C[C@@H](CC#N)N(C)C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1	ZINC000735963594	598688088	/nfs/dbraw/zinc/68/80/88/598688088.db2.gz	IAGYDUXATGGNMQ-LBPRGKRZSA-N	-1	3	363.381	2.428	20	30		FEEDHM
C[C@@H](CC#N)N(C)C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1	ZINC000735963594	598688089	/nfs/dbraw/zinc/68/80/89/598688089.db2.gz	IAGYDUXATGGNMQ-LBPRGKRZSA-N	-1	3	363.381	2.428	20	30		FEEDHM
Cc1ccc(C#N)cc1S(=O)(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1	ZINC000822225098	599326172	/nfs/dbraw/zinc/32/61/72/599326172.db2.gz	OBHKENQAGWAUPQ-GFCCVEGCSA-N	-1	3	368.422	2.086	20	30		FEEDHM
Cc1ccc(C#N)cc1S(=O)(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1	ZINC000822225098	599326174	/nfs/dbraw/zinc/32/61/74/599326174.db2.gz	OBHKENQAGWAUPQ-GFCCVEGCSA-N	-1	3	368.422	2.086	20	30		FEEDHM
Cc1cc(-c2nnn[n-]2)cc(C)c1OS(=O)(=O)Cc1cccc(C#N)c1	ZINC000822137036	599360760	/nfs/dbraw/zinc/36/07/60/599360760.db2.gz	UHNDMOMTJDIRKX-UHFFFAOYSA-N	-1	3	369.406	2.264	20	30		FEEDHM
Cc1cc(-c2nn[n-]n2)cc(C)c1OS(=O)(=O)Cc1cccc(C#N)c1	ZINC000822137036	599360763	/nfs/dbraw/zinc/36/07/63/599360763.db2.gz	UHNDMOMTJDIRKX-UHFFFAOYSA-N	-1	3	369.406	2.264	20	30		FEEDHM
C[C@@H](NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1cccc(C#N)c1	ZINC000820368232	599460559	/nfs/dbraw/zinc/46/05/59/599460559.db2.gz	YIHDAOLZVJMSLO-LLVKDONJSA-N	-1	3	365.372	2.438	20	30		FEEDHM
C[C@@H](NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1cccc(C#N)c1	ZINC000820368232	599460560	/nfs/dbraw/zinc/46/05/60/599460560.db2.gz	YIHDAOLZVJMSLO-LLVKDONJSA-N	-1	3	365.372	2.438	20	30		FEEDHM
O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1ccc2c(c1)OCCO2	ZINC000737809469	599462149	/nfs/dbraw/zinc/46/21/49/599462149.db2.gz	WLJQVDMOOCEZKO-ONEGZZNKSA-N	-1	3	374.360	2.182	20	30		FEEDHM
O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1ccc2c(c1)OCCO2	ZINC000737809469	599462151	/nfs/dbraw/zinc/46/21/51/599462151.db2.gz	WLJQVDMOOCEZKO-ONEGZZNKSA-N	-1	3	374.360	2.182	20	30		FEEDHM
Cc1cc2c(cc1C)O[C@H](C(=O)Nc1ccc(-c3nnn[n-]3)c(C#N)c1)C2	ZINC000822212952	599631249	/nfs/dbraw/zinc/63/12/49/599631249.db2.gz	OAYRQUIYQBDMOP-KRWDZBQOSA-N	-1	3	360.377	2.297	20	30		FEEDHM
Cc1cc2c(cc1C)O[C@H](C(=O)Nc1ccc(-c3nn[n-]n3)c(C#N)c1)C2	ZINC000822212952	599631250	/nfs/dbraw/zinc/63/12/50/599631250.db2.gz	OAYRQUIYQBDMOP-KRWDZBQOSA-N	-1	3	360.377	2.297	20	30		FEEDHM
COc1cc(CN[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc(OC)c1OC	ZINC000737885860	600590976	/nfs/dbraw/zinc/59/09/76/600590976.db2.gz	KKSMGELQXGRQBU-KRWDZBQOSA-N	-1	3	356.378	2.500	20	30		FEEDHM
C[C@@H](C(=O)[O-])[C@H](NCCS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1	ZINC000826051984	601652078	/nfs/dbraw/zinc/65/20/78/601652078.db2.gz	FYYOZADEPNOOGC-KDOFPFPSSA-N	-1	3	372.446	2.384	20	30		FEEDHM
COc1ccc(CSc2nc(C)nc(C)c2-c2nnn[n-]2)cc1C#N	ZINC000826208101	607544482	/nfs/dbraw/zinc/54/44/82/607544482.db2.gz	SRAQHMFPCBYWFV-UHFFFAOYSA-N	-1	3	353.411	2.446	20	30		FEEDHM
COc1ccc(CSc2nc(C)nc(C)c2-c2nn[n-]n2)cc1C#N	ZINC000826208101	607544483	/nfs/dbraw/zinc/54/44/83/607544483.db2.gz	SRAQHMFPCBYWFV-UHFFFAOYSA-N	-1	3	353.411	2.446	20	30		FEEDHM
O=S(=O)(OCC(F)(F)C(F)F)c1ccc(Cl)cc1-c1nnn[n-]1	ZINC000826493599	607574534	/nfs/dbraw/zinc/57/45/34/607574534.db2.gz	SQNQNGAXWDWSRR-UHFFFAOYSA-N	-1	3	374.703	2.126	20	30		FEEDHM
C=CCN1CCC(NC(=O)N2CCC[C@H]([C@@H]3CCCN3C(=O)[O-])C2)CC1	ZINC000738491175	602715500	/nfs/dbraw/zinc/71/55/00/602715500.db2.gz	GWKXTUILZDLGDW-RDJZCZTQSA-N	-1	3	364.490	2.201	20	30		FEEDHM
N#Cc1ccc(NC(=O)CSCc2cscn2)cc1-c1nnn[n-]1	ZINC000826385643	607587946	/nfs/dbraw/zinc/58/79/46/607587946.db2.gz	VKGAPPMWNKBTQO-UHFFFAOYSA-N	-1	3	357.424	2.067	20	30		FEEDHM
N#Cc1ccc(NC(=O)CSCc2cscn2)cc1-c1nn[n-]n1	ZINC000826385643	607587948	/nfs/dbraw/zinc/58/79/48/607587948.db2.gz	VKGAPPMWNKBTQO-UHFFFAOYSA-N	-1	3	357.424	2.067	20	30		FEEDHM
C=CCN1CCC(NC(=O)N2CCC(N(CC3CC3)C(=O)[O-])CC2)CC1	ZINC000823506281	603480689	/nfs/dbraw/zinc/48/06/89/603480689.db2.gz	FQWNATIEUUWNEW-UHFFFAOYSA-N	-1	3	364.490	2.201	20	30		FEEDHM
N#Cc1c(NC(=O)CCN2CCC[C@@H]2CNC(=O)[O-])sc2c1CCC2	ZINC000831114398	603572483	/nfs/dbraw/zinc/57/24/83/603572483.db2.gz	NBKYPJQICMTDMA-LLVKDONJSA-N	-1	3	362.455	2.169	20	30		FEEDHM
Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCN(c2ccccc2C#N)CC1	ZINC000826245697	607678605	/nfs/dbraw/zinc/67/86/05/607678605.db2.gz	FQZSXPOVNPSRJR-UHFFFAOYSA-N	-1	3	373.420	2.009	20	30		FEEDHM
Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCN(c2ccccc2C#N)CC1	ZINC000826245697	607678606	/nfs/dbraw/zinc/67/86/06/607678606.db2.gz	FQZSXPOVNPSRJR-UHFFFAOYSA-N	-1	3	373.420	2.009	20	30		FEEDHM
CC(C)(C(=O)[O-])[C@@H]1CCCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000833417346	604940568	/nfs/dbraw/zinc/94/05/68/604940568.db2.gz	QDWIDMSCKBTZJN-WBVHZDCISA-N	-1	3	355.438	2.486	20	30		FEEDHM
Cn1c2ccccc2nc1C(C#N)C(=O)C[C@@H]1CSCCN1C(=O)[O-]	ZINC000830968771	605344754	/nfs/dbraw/zinc/34/47/54/605344754.db2.gz	JNZODAKONHFXCL-NEPJUHHUSA-N	-1	3	358.423	2.235	20	30		FEEDHM
N#C[C@@H](OC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1)C1CC1	ZINC000822800986	606169576	/nfs/dbraw/zinc/16/95/76/606169576.db2.gz	CTSSXJVPZIYEKN-MRXNPFEDSA-N	-1	3	365.349	2.498	20	30		FEEDHM
N#C[C@H](COC(=O)COc1ccccc1-c1nnn[n-]1)Cc1ccccc1	ZINC000822802215	606182396	/nfs/dbraw/zinc/18/23/96/606182396.db2.gz	XDUDRCULZUGAAM-OAHLLOKOSA-N	-1	3	363.377	2.171	20	30		FEEDHM
N#C[C@H](COC(=O)COc1ccccc1-c1nn[n-]n1)Cc1ccccc1	ZINC000822802215	606182398	/nfs/dbraw/zinc/18/23/98/606182398.db2.gz	XDUDRCULZUGAAM-OAHLLOKOSA-N	-1	3	363.377	2.171	20	30		FEEDHM
N#CCc1ccc(N[C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)cc1	ZINC000822815605	606299214	/nfs/dbraw/zinc/29/92/14/606299214.db2.gz	UOMCQFQNBGKCEY-AWEZNQCLSA-N	-1	3	365.422	2.212	20	30		FEEDHM
N#CCc1ccc(N[C@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)cc1	ZINC000822815605	606299215	/nfs/dbraw/zinc/29/92/15/606299215.db2.gz	UOMCQFQNBGKCEY-AWEZNQCLSA-N	-1	3	365.422	2.212	20	30		FEEDHM
COC(=O)[C@H](c1cccc(C#N)c1)N(C)Cc1ccc(-c2nnn[n-]2)cc1	ZINC000821652389	606316276	/nfs/dbraw/zinc/31/62/76/606316276.db2.gz	RHHDEIBYIZMVLG-KRWDZBQOSA-N	-1	3	362.393	2.084	20	30		FEEDHM
COC(=O)[C@H](c1cccc(C#N)c1)N(C)Cc1ccc(-c2nn[n-]n2)cc1	ZINC000821652389	606316278	/nfs/dbraw/zinc/31/62/78/606316278.db2.gz	RHHDEIBYIZMVLG-KRWDZBQOSA-N	-1	3	362.393	2.084	20	30		FEEDHM
N#C[C@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1ccc(Cl)c(Cl)c1	ZINC000822801309	606322785	/nfs/dbraw/zinc/32/27/85/606322785.db2.gz	GXNJBQUUTZIICO-LBPRGKRZSA-N	-1	3	362.180	2.496	20	30		FEEDHM
N#C[C@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1ccc(Cl)c(Cl)c1	ZINC000822801309	606322786	/nfs/dbraw/zinc/32/27/86/606322786.db2.gz	GXNJBQUUTZIICO-LBPRGKRZSA-N	-1	3	362.180	2.496	20	30		FEEDHM
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)cn1	ZINC000822801639	606447168	/nfs/dbraw/zinc/44/71/68/606447168.db2.gz	LOHVAWIYPIUUPM-NVXWUHKLSA-N	-1	3	359.393	2.174	20	30		FEEDHM
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)cn1	ZINC000822801639	606447170	/nfs/dbraw/zinc/44/71/70/606447170.db2.gz	LOHVAWIYPIUUPM-NVXWUHKLSA-N	-1	3	359.393	2.174	20	30		FEEDHM
CC1CC(C#N)(C(=O)NCCSCc2ccccc2-c2nnn[n-]2)C1	ZINC000820642999	606901765	/nfs/dbraw/zinc/90/17/65/606901765.db2.gz	OMHLQOQAPFPQRG-UHFFFAOYSA-N	-1	3	356.455	2.156	20	30		FEEDHM
CC1CC(C#N)(C(=O)NCCSCc2ccccc2-c2nn[n-]n2)C1	ZINC000820642999	606901766	/nfs/dbraw/zinc/90/17/66/606901766.db2.gz	OMHLQOQAPFPQRG-UHFFFAOYSA-N	-1	3	356.455	2.156	20	30		FEEDHM
C=CCC(CC=C)C(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1	ZINC000819733863	606943878	/nfs/dbraw/zinc/94/38/78/606943878.db2.gz	DCSFATPZHIWTSU-UHFFFAOYSA-N	-1	3	352.442	2.284	20	30		FEEDHM
C=CCC(CC=C)C(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1	ZINC000819733863	606943880	/nfs/dbraw/zinc/94/38/80/606943880.db2.gz	DCSFATPZHIWTSU-UHFFFAOYSA-N	-1	3	352.442	2.284	20	30		FEEDHM
N#Cc1cc(NC(=O)c2cccnc2Br)ccc1-c1nnn[n-]1	ZINC000822823190	607019348	/nfs/dbraw/zinc/01/93/48/607019348.db2.gz	MOMUMBSYUMMMND-UHFFFAOYSA-N	-1	3	370.170	2.148	20	30		FEEDHM
N#Cc1cc(NC(=O)c2cccnc2Br)ccc1-c1nn[n-]n1	ZINC000822823190	607019350	/nfs/dbraw/zinc/01/93/50/607019350.db2.gz	MOMUMBSYUMMMND-UHFFFAOYSA-N	-1	3	370.170	2.148	20	30		FEEDHM
N#Cc1cc(NC(=O)c2ccccc2Cn2cccn2)ccc1-c1nnn[n-]1	ZINC000822823624	607238510	/nfs/dbraw/zinc/23/85/10/607238510.db2.gz	UZFDLSBFWSJKNQ-UHFFFAOYSA-N	-1	3	370.376	2.235	20	30		FEEDHM
N#Cc1cc(NC(=O)c2ccccc2Cn2cccn2)ccc1-c1nn[n-]n1	ZINC000822823624	607238511	/nfs/dbraw/zinc/23/85/11/607238511.db2.gz	UZFDLSBFWSJKNQ-UHFFFAOYSA-N	-1	3	370.376	2.235	20	30		FEEDHM
CCCCCCCCNc1ccc(S(N)(=O)=O)cc1-c1nnn[n-]1	ZINC000825270705	607849620	/nfs/dbraw/zinc/84/96/20/607849620.db2.gz	BXBYQWBDZLKNHV-UHFFFAOYSA-N	-1	3	352.464	2.287	20	30		FEEDHM
CCCCCCCCNc1ccc(S(N)(=O)=O)cc1-c1nn[n-]n1	ZINC000825270705	607849621	/nfs/dbraw/zinc/84/96/21/607849621.db2.gz	BXBYQWBDZLKNHV-UHFFFAOYSA-N	-1	3	352.464	2.287	20	30		FEEDHM
Brc1ccc(C=NNCc2ccc(-c3nnn[n-]3)cc2)cn1	ZINC000823826468	607930674	/nfs/dbraw/zinc/93/06/74/607930674.db2.gz	JOLHOARJMRXDTO-UHFFFAOYSA-N	-1	3	358.203	2.148	20	30		FEEDHM
Brc1ccc(C=NNCc2ccc(-c3nn[n-]n3)cc2)cn1	ZINC000823826468	607930675	/nfs/dbraw/zinc/93/06/75/607930675.db2.gz	JOLHOARJMRXDTO-UHFFFAOYSA-N	-1	3	358.203	2.148	20	30		FEEDHM
N#CCOc1cccc(CC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)c1	ZINC000826382248	608029111	/nfs/dbraw/zinc/02/91/11/608029111.db2.gz	VKYMFMOEZJWNEO-UHFFFAOYSA-N	-1	3	352.329	2.089	20	30		FEEDHM
N#CCOc1cccc(CC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)c1	ZINC000826382248	608029112	/nfs/dbraw/zinc/02/91/12/608029112.db2.gz	VKYMFMOEZJWNEO-UHFFFAOYSA-N	-1	3	352.329	2.089	20	30		FEEDHM
N#Cc1cccc([C@@H]2CN(Cc3cc(-c4nnn[n-]4)ccc3F)CCO2)c1	ZINC000826386940	608069098	/nfs/dbraw/zinc/06/90/98/608069098.db2.gz	ZBOPNHBLZZQYHP-SFHVURJKSA-N	-1	3	364.384	2.451	20	30		FEEDHM
N#Cc1cccc([C@@H]2CN(Cc3cc(-c4nn[n-]n4)ccc3F)CCO2)c1	ZINC000826386940	608069099	/nfs/dbraw/zinc/06/90/99/608069099.db2.gz	ZBOPNHBLZZQYHP-SFHVURJKSA-N	-1	3	364.384	2.451	20	30		FEEDHM
Cc1cc(C#N)ccc1C(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1	ZINC000826256914	608084846	/nfs/dbraw/zinc/08/48/46/608084846.db2.gz	GGNSUEXOSQQWHN-GOSISDBHSA-N	-1	3	374.404	2.261	20	30		FEEDHM
Cc1cc(C#N)ccc1C(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1	ZINC000826256914	608084847	/nfs/dbraw/zinc/08/48/47/608084847.db2.gz	GGNSUEXOSQQWHN-GOSISDBHSA-N	-1	3	374.404	2.261	20	30		FEEDHM
N#Cc1cc(NC(=O)c2ncccc2C(F)(F)F)ccc1-c1nnn[n-]1	ZINC000826384525	608160526	/nfs/dbraw/zinc/16/05/26/608160526.db2.gz	YVAVNCQOVSGXOA-UHFFFAOYSA-N	-1	3	359.271	2.404	20	30		FEEDHM
N#Cc1cc(NC(=O)c2ncccc2C(F)(F)F)ccc1-c1nn[n-]n1	ZINC000826384525	608160528	/nfs/dbraw/zinc/16/05/28/608160528.db2.gz	YVAVNCQOVSGXOA-UHFFFAOYSA-N	-1	3	359.271	2.404	20	30		FEEDHM
CCn1c2ccc(C#N)cc2nc1NC(=O)c1sccc1-c1nnn[n-]1	ZINC000825796290	608179541	/nfs/dbraw/zinc/17/95/41/608179541.db2.gz	BNTPOBIWEURXLJ-UHFFFAOYSA-N	-1	3	364.394	2.422	20	30		FEEDHM
CCn1c2ccc(C#N)cc2nc1NC(=O)c1sccc1-c1nn[n-]n1	ZINC000825796290	608179543	/nfs/dbraw/zinc/17/95/43/608179543.db2.gz	BNTPOBIWEURXLJ-UHFFFAOYSA-N	-1	3	364.394	2.422	20	30		FEEDHM
C#CCCCCC(=O)OCC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1	ZINC000823841167	608323085	/nfs/dbraw/zinc/32/30/85/608323085.db2.gz	JPYJBXUWCCKLHG-UHFFFAOYSA-N	-1	3	361.789	2.195	20	30		FEEDHM
C#CCCCCC(=O)OCC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1	ZINC000823841167	608323087	/nfs/dbraw/zinc/32/30/87/608323087.db2.gz	JPYJBXUWCCKLHG-UHFFFAOYSA-N	-1	3	361.789	2.195	20	30		FEEDHM
CCN(C(=O)c1ccc(C#N)nc1)c1ccc(-c2nnn[n-]2)c(Cl)c1	ZINC000825379955	608345380	/nfs/dbraw/zinc/34/53/80/608345380.db2.gz	MUDKWOITVTVTCP-UHFFFAOYSA-N	-1	3	353.773	2.453	20	30		FEEDHM
CCN(C(=O)c1ccc(C#N)nc1)c1ccc(-c2nn[n-]n2)c(Cl)c1	ZINC000825379955	608345382	/nfs/dbraw/zinc/34/53/82/608345382.db2.gz	MUDKWOITVTVTCP-UHFFFAOYSA-N	-1	3	353.773	2.453	20	30		FEEDHM
COc1cc(-c2nnn[n-]2)ccc1COC(=O)CCc1ccc(C#N)cc1	ZINC000826171305	608346918	/nfs/dbraw/zinc/34/69/18/608346918.db2.gz	JEZKWJKVNMRSEG-UHFFFAOYSA-N	-1	3	363.377	2.423	20	30		FEEDHM
COc1cc(-c2nn[n-]n2)ccc1COC(=O)CCc1ccc(C#N)cc1	ZINC000826171305	608346920	/nfs/dbraw/zinc/34/69/20/608346920.db2.gz	JEZKWJKVNMRSEG-UHFFFAOYSA-N	-1	3	363.377	2.423	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCc1ncoc1C	ZINC000823909644	608535833	/nfs/dbraw/zinc/53/58/33/608535833.db2.gz	MEXXGQXYAIQWMJ-UHFFFAOYSA-N	-1	3	353.386	2.061	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCc1ncoc1C	ZINC000823909644	608535835	/nfs/dbraw/zinc/53/58/35/608535835.db2.gz	MEXXGQXYAIQWMJ-UHFFFAOYSA-N	-1	3	353.386	2.061	20	30		FEEDHM
CCOc1ccc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)c(O)c1	ZINC000825638387	608540639	/nfs/dbraw/zinc/54/06/39/608540639.db2.gz	KPADSVJRIGELQE-UHFFFAOYSA-N	-1	3	359.777	2.465	20	30		FEEDHM
C#CCOc1ccc(F)cc1NCc1cnc2ccc(-c3nnn[n-]3)cn12	ZINC000823856763	608859653	/nfs/dbraw/zinc/85/96/53/608859653.db2.gz	XNTZSZFKHZBGSE-UHFFFAOYSA-N	-1	3	363.356	2.278	20	30		FEEDHM
C#CCOc1ccc(F)cc1NCc1cnc2ccc(-c3nn[n-]n3)cn12	ZINC000823856763	608859654	/nfs/dbraw/zinc/85/96/54/608859654.db2.gz	XNTZSZFKHZBGSE-UHFFFAOYSA-N	-1	3	363.356	2.278	20	30		FEEDHM
N#CCc1ccccc1CC(=O)OCc1cc(-c2nnn[n-]2)ccc1F	ZINC000826382557	609234769	/nfs/dbraw/zinc/23/47/69/609234769.db2.gz	JUQZGNHSZKYEMJ-UHFFFAOYSA-N	-1	3	351.341	2.358	20	30		FEEDHM
N#CCc1ccccc1CC(=O)OCc1cc(-c2nn[n-]n2)ccc1F	ZINC000826382557	609234771	/nfs/dbraw/zinc/23/47/71/609234771.db2.gz	JUQZGNHSZKYEMJ-UHFFFAOYSA-N	-1	3	351.341	2.358	20	30		FEEDHM
N#CCC1(COC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)CC1	ZINC000826381014	609257911	/nfs/dbraw/zinc/25/79/11/609257911.db2.gz	UWIWZFLALAQEDV-HNNXBMFYSA-N	-1	3	352.398	2.073	20	30		FEEDHM
Cc1cc(NC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)nn1CCC#N	ZINC000826270103	609274044	/nfs/dbraw/zinc/27/40/44/609274044.db2.gz	LFZJAOCAHRFNJJ-GFCCVEGCSA-N	-1	3	365.401	2.168	20	30		FEEDHM
Cc1cc(NC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)nn1CCC#N	ZINC000826270103	609274046	/nfs/dbraw/zinc/27/40/46/609274046.db2.gz	LFZJAOCAHRFNJJ-GFCCVEGCSA-N	-1	3	365.401	2.168	20	30		FEEDHM
N#Cc1cc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)ccc1Cl	ZINC000826383635	609292269	/nfs/dbraw/zinc/29/22/69/609292269.db2.gz	JQBWIDXFLJSJDB-UHFFFAOYSA-N	-1	3	356.748	2.461	20	30		FEEDHM
N#Cc1cc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)ccc1Cl	ZINC000826383635	609292271	/nfs/dbraw/zinc/29/22/71/609292271.db2.gz	JQBWIDXFLJSJDB-UHFFFAOYSA-N	-1	3	356.748	2.461	20	30		FEEDHM
Cc1cc(C)nc(N=NCc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)n1	ZINC000826265821	609302718	/nfs/dbraw/zinc/30/27/18/609302718.db2.gz	OUGOEXMPIWAGKY-UHFFFAOYSA-N	-1	3	374.412	2.120	20	30		FEEDHM
Cc1cc(C)nc(N=NCc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)n1	ZINC000826265821	609302719	/nfs/dbraw/zinc/30/27/19/609302719.db2.gz	OUGOEXMPIWAGKY-UHFFFAOYSA-N	-1	3	374.412	2.120	20	30		FEEDHM
Cn1cc(C=NOCc2cccnc2)c(-c2ccc(-c3nnn[n-]3)cc2)n1	ZINC000826360778	609306739	/nfs/dbraw/zinc/30/67/39/609306739.db2.gz	XSUORRUQIDHVHF-UHFFFAOYSA-N	-1	3	360.381	2.213	20	30		FEEDHM
Cn1cc(C=NOCc2cccnc2)c(-c2ccc(-c3nn[n-]n3)cc2)n1	ZINC000826360778	609306740	/nfs/dbraw/zinc/30/67/40/609306740.db2.gz	XSUORRUQIDHVHF-UHFFFAOYSA-N	-1	3	360.381	2.213	20	30		FEEDHM
Cc1ccc(F)cc1C(=O)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1	ZINC000826289540	609387784	/nfs/dbraw/zinc/38/77/84/609387784.db2.gz	FDNTVMBEWJJJOF-UHFFFAOYSA-N	-1	3	350.313	2.007	20	30		FEEDHM
Cc1ccc(F)cc1C(=O)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1	ZINC000826289540	609387787	/nfs/dbraw/zinc/38/77/87/609387787.db2.gz	FDNTVMBEWJJJOF-UHFFFAOYSA-N	-1	3	350.313	2.007	20	30		FEEDHM
N#CCCCNC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1	ZINC000826381260	609515663	/nfs/dbraw/zinc/51/56/63/609515663.db2.gz	DMVQGACQAFQBNY-UHFFFAOYSA-N	-1	3	362.393	2.479	20	30		FEEDHM
N#CCCCNC(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1	ZINC000826381260	609515664	/nfs/dbraw/zinc/51/56/64/609515664.db2.gz	DMVQGACQAFQBNY-UHFFFAOYSA-N	-1	3	362.393	2.479	20	30		FEEDHM
C[C@H](CC(=O)O[C@@H]1CCCC[C@H]1F)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000810894857	674566884	/nfs/dbraw/zinc/56/68/84/674566884.db2.gz	IFQXNEFIBVQZKR-MRVWCRGKSA-N	-1	3	368.430	2.328	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)OCC(=O)C(C)(C)CC)ccc1F	ZINC000811075116	674577118	/nfs/dbraw/zinc/57/71/18/674577118.db2.gz	QMRKQDINLXOMCK-UHFFFAOYSA-N	-1	3	371.430	2.452	20	30		FEEDHM
C=C(C)CS(=O)(=O)[N-]c1cc(F)c(OC(F)F)cc1-n1cncn1	ZINC000562228131	674730669	/nfs/dbraw/zinc/73/06/69/674730669.db2.gz	PFZCQHZNKLVXRM-UHFFFAOYSA-N	-1	3	362.333	2.326	20	30		FEEDHM
CCCOc1c(Cl)cc(C(=O)N[C@H]2CCN([O-])C2=O)cc1OCC	ZINC000816693159	675073451	/nfs/dbraw/zinc/07/34/51/675073451.db2.gz	DDTCNIISQLZWBZ-LBPRGKRZSA-N	-1	3	356.806	2.247	20	30		FEEDHM
COc1cc(C(=O)N[C@@H]2CCN([O-])C2=O)cc(Cl)c1OCCC(C)C	ZINC000816697129	675073643	/nfs/dbraw/zinc/07/36/43/675073643.db2.gz	SFVDCCNUHNSKLJ-CYBMUJFWSA-N	-1	3	370.833	2.493	20	30		FEEDHM
O=C(CCCCc1ccc(Br)cc1)N[C@H]1CCN([O-])C1=O	ZINC000816697079	675073869	/nfs/dbraw/zinc/07/38/69/675073869.db2.gz	QGOXIKPCSAJHPN-ZDUSSCGKSA-N	-1	3	355.232	2.268	20	30		FEEDHM
N#CC1(CS(=O)(=O)[N-][C@H]2CCN(c3cccc(Cl)c3)C2=O)CCC1	ZINC000576790318	671394405	/nfs/dbraw/zinc/39/44/05/671394405.db2.gz	LIXIKYHELCZEQF-AWEZNQCLSA-N	-1	3	367.858	2.059	20	30		FEEDHM
CC[C@H](C)C[C@H]([N-]S(=O)(=O)Cc1ccc(CC#N)cc1)C(=O)OC	ZINC000578502048	671669850	/nfs/dbraw/zinc/66/98/50/671669850.db2.gz	FTXTXJCHNXTBKW-BBRMVZONSA-N	-1	3	352.456	2.150	20	30		FEEDHM
C=CCC[C@@H](CO)NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1	ZINC000580522753	671814970	/nfs/dbraw/zinc/81/49/70/671814970.db2.gz	CAOXDOCBRGZQQQ-NSHDSACASA-N	-1	3	365.227	2.348	20	30		FEEDHM
CS(=O)(=O)c1cc(S(=O)(=O)[N-]c2ccc(C#N)cc2F)ccc1F	ZINC000135371857	672132173	/nfs/dbraw/zinc/13/21/73/672132173.db2.gz	SGYNPCDKLYWYPS-UHFFFAOYSA-N	-1	3	372.374	2.041	20	30		FEEDHM
Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C1CCN(CC#N)CC1	ZINC000610757956	675994647	/nfs/dbraw/zinc/99/46/47/675994647.db2.gz	AEJMKZWHFIBGEV-UHFFFAOYSA-N	-1	3	351.403	2.147	20	30		FEEDHM
C=CCN1C(=S)N=NC1Cc1csc([N-]c2ncnc3n[nH]cc32)n1	ZINC000163267536	672308440	/nfs/dbraw/zinc/30/84/40/672308440.db2.gz	OSZNFVMWONCCAF-UHFFFAOYSA-N	-1	3	371.455	2.210	20	30		FEEDHM
C=C(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1ccc(C(=O)OCC)cc1F	ZINC000593590023	672952580	/nfs/dbraw/zinc/95/25/80/672952580.db2.gz	CFGTXXUZAUBBSS-CJNGLKHVSA-N	-1	3	371.430	2.262	20	30		FEEDHM
CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CC[C@@H](CC#N)C2)c(F)c1	ZINC000593600272	672954842	/nfs/dbraw/zinc/95/48/42/672954842.db2.gz	BXNDAIZCOAEKKL-AAEUAGOBSA-N	-1	3	354.403	2.363	20	30		FEEDHM
O=C(NCc1nc(C(F)(F)F)n[n-]1)N1CC2(CCC2)[C@@H]1[C@@H]1CCCO1	ZINC000329678182	673081308	/nfs/dbraw/zinc/08/13/08/673081308.db2.gz	VMGNQMOFHYTUDP-ONGXEEELSA-N	-1	3	359.352	2.271	20	30		FEEDHM
CCOC(=O)[C@@H]([N-]S(=O)(=O)N(CC)C[C@@H](C)C#N)C1CCCCCC1	ZINC000594482315	673086238	/nfs/dbraw/zinc/08/62/38/673086238.db2.gz	TZQYLQZIWJSVJG-HOCLYGCPSA-N	-1	3	373.519	2.204	20	30		FEEDHM
C=CCCSCCNS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1	ZINC000594815230	673151301	/nfs/dbraw/zinc/15/13/01/673151301.db2.gz	OVSIAVREAAXMHL-UHFFFAOYSA-N	-1	3	373.891	2.108	20	30		FEEDHM
C=CCCSCCNS(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1	ZINC000594815230	673151304	/nfs/dbraw/zinc/15/13/04/673151304.db2.gz	OVSIAVREAAXMHL-UHFFFAOYSA-N	-1	3	373.891	2.108	20	30		FEEDHM
COC(=O)[C@@]1([N-]S(=O)(=O)Cc2ccc(C#N)cc2)CCCC(C)(C)C1	ZINC000599412290	673671944	/nfs/dbraw/zinc/67/19/44/673671944.db2.gz	JZOGCWNISYPZKE-GOSISDBHSA-N	-1	3	364.467	2.490	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-][C@@H](CCc2ccccc2)C(F)F)cn1	ZINC000599415234	673672580	/nfs/dbraw/zinc/67/25/80/673672580.db2.gz	LTCVOPKNXDRPEQ-HNNXBMFYSA-N	-1	3	351.378	2.498	20	30		FEEDHM
Cc1cc(C2([N-]S(=O)(=O)c3ccc(C#N)c(C)c3)CCOCC2)on1	ZINC000599515007	673687411	/nfs/dbraw/zinc/68/74/11/673687411.db2.gz	NLYROMSDTBPVQK-UHFFFAOYSA-N	-1	3	361.423	2.147	20	30		FEEDHM
CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OCCC1CC1	ZINC000744287560	673790962	/nfs/dbraw/zinc/79/09/62/673790962.db2.gz	VGXVXMYLVJQNBB-HNNXBMFYSA-N	-1	3	364.467	2.483	20	30		FEEDHM
C=CCNC(=O)NC(=O)[C@@H](C)Sc1cccc(Cl)c1-c1nnn[n-]1	ZINC000823925942	675576927	/nfs/dbraw/zinc/57/69/27/675576927.db2.gz	RSZDQMSDWRYMNP-MRVPVSSYSA-N	-1	3	366.834	2.013	20	30		FEEDHM
C=CCNC(=O)NC(=O)[C@@H](C)Sc1cccc(Cl)c1-c1nn[n-]n1	ZINC000823925942	675576930	/nfs/dbraw/zinc/57/69/30/675576930.db2.gz	RSZDQMSDWRYMNP-MRVPVSSYSA-N	-1	3	366.834	2.013	20	30		FEEDHM
C[C@](C#N)(NC(=O)CSc1cccc(Cl)c1-c1nnn[n-]1)C1CC1	ZINC000824035217	675581045	/nfs/dbraw/zinc/58/10/45/675581045.db2.gz	UKXLXDSZWMRKSK-OAHLLOKOSA-N	-1	3	362.846	2.421	20	30		FEEDHM
C[C@](C#N)(NC(=O)CSc1cccc(Cl)c1-c1nn[n-]n1)C1CC1	ZINC000824035217	675581046	/nfs/dbraw/zinc/58/10/46/675581046.db2.gz	UKXLXDSZWMRKSK-OAHLLOKOSA-N	-1	3	362.846	2.421	20	30		FEEDHM
CC(C)(C)[C@](C)(C#N)NS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1	ZINC000824071524	675582723	/nfs/dbraw/zinc/58/27/23/675582723.db2.gz	JOIIMDLUHWFUMY-AWEZNQCLSA-N	-1	3	368.850	2.127	20	30		FEEDHM
CC(C)(C)[C@](C)(C#N)NS(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1	ZINC000824071524	675582725	/nfs/dbraw/zinc/58/27/25/675582725.db2.gz	JOIIMDLUHWFUMY-AWEZNQCLSA-N	-1	3	368.850	2.127	20	30		FEEDHM
CC[C@@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2ccc(C#N)cc2F)n[nH]1	ZINC000616980270	676264804	/nfs/dbraw/zinc/26/48/04/676264804.db2.gz	JKHWBAJCKITQRI-ZJUUUORDSA-N	-1	3	351.407	2.368	20	30		FEEDHM
COC(=O)c1csc(S(=O)(=O)[N-][C@H]2CCc3cc(C#N)ccc32)c1	ZINC000618717115	676350863	/nfs/dbraw/zinc/35/08/63/676350863.db2.gz	VOXSJYRBKWWZTR-AWEZNQCLSA-N	-1	3	362.432	2.372	20	30		FEEDHM
CCCCC[C@@H]([N-]S(=O)(=O)Cc1ccc(F)cc1C#N)C(=O)OC	ZINC000830808712	677062381	/nfs/dbraw/zinc/06/23/81/677062381.db2.gz	MTOUWXFDNKMJEE-OAHLLOKOSA-N	-1	3	356.419	2.239	20	30		FEEDHM
C#CCN(CC#C)[C@H](C)c1nc(=O)c2c(C)c(C(=O)OCC)sc2[n-]1	ZINC000839501723	680757471	/nfs/dbraw/zinc/75/74/71/680757471.db2.gz	YOXSZQNIMUNEMW-GFCCVEGCSA-N	-1	3	357.435	2.099	20	30		FEEDHM
C#CCN(C1CC1)S(=O)(=O)c1ccc([N-]S(=O)(=O)CCCC)cc1	ZINC000763629884	680788097	/nfs/dbraw/zinc/78/80/97/680788097.db2.gz	RHDBYYIONKQTTD-UHFFFAOYSA-N	-1	3	370.496	2.015	20	30		FEEDHM
COc1ccc([N+](=O)[O-])cc1C[N-]S(=O)(=O)c1cccc(F)c1C#N	ZINC000751027757	680149436	/nfs/dbraw/zinc/14/94/36/680149436.db2.gz	LYWJJADNAAEVJQ-UHFFFAOYSA-N	-1	3	365.342	2.093	20	30		FEEDHM
C#CCOc1ccccc1C[N-]S(=O)(=O)c1ccsc1C(=O)OC	ZINC000751104437	680153774	/nfs/dbraw/zinc/15/37/74/680153774.db2.gz	DAOBVKKUDRAQOL-UHFFFAOYSA-N	-1	3	365.432	2.025	20	30		FEEDHM
COCc1nn(C)cc1C([O-])=C(C#N)C(=O)Nc1ccc(F)c(Cl)c1	ZINC000835064990	680292593	/nfs/dbraw/zinc/29/25/93/680292593.db2.gz	JLAUGZCHONFASI-JTQLQIEISA-N	-1	3	364.764	2.320	20	30		FEEDHM
COc1cc2c(c(C=N[N-]S(=O)(=O)Cc3ccccc3)c1)O[C@@H](C)C2	ZINC000755661818	680427394	/nfs/dbraw/zinc/42/73/94/680427394.db2.gz	JOZOPUXECHGNAS-ZDUSSCGKSA-N	-1	3	360.435	2.472	20	30		FEEDHM
Cn1ncc2c1nc(N=NCc1cccn1Cc1cccs1)[n-]c2=O	ZINC000755734927	680431688	/nfs/dbraw/zinc/43/16/88/680431688.db2.gz	XLNIIBSMTFYKLJ-UHFFFAOYSA-N	-1	3	353.411	2.426	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)NC2(C3(C)CC3)CC2)ccc1F	ZINC000837037127	680545233	/nfs/dbraw/zinc/54/52/33/680545233.db2.gz	RBEZUWJVOKGVOD-UHFFFAOYSA-N	-1	3	352.431	2.353	20	30		FEEDHM
C[N-]S(=O)(=O)c1cc(C(=O)OCc2cc(F)ccc2C#N)ccc1F	ZINC000759361139	680644624	/nfs/dbraw/zinc/64/46/24/680644624.db2.gz	USDMXYXYCMJSLW-UHFFFAOYSA-N	-1	3	366.345	2.102	20	30		FEEDHM
Cn1cc(S(=O)(=O)[N-][C@H]2CCCc3cc(C#N)ccc32)nc1Cl	ZINC000841572430	680900836	/nfs/dbraw/zinc/90/08/36/680900836.db2.gz	NMRZFFLMIXYEMK-ZDUSSCGKSA-N	-1	3	350.831	2.301	20	30		FEEDHM
C[C@H]1CC(NC(=O)c2c[n-]c3ccc(Br)cc3c2=O)=NO1	ZINC000768132486	680938835	/nfs/dbraw/zinc/93/88/35/680938835.db2.gz	PIBSCAWOFUTUCX-ZETCQYMHSA-N	-1	3	350.172	2.143	20	30		FEEDHM
CC[C@H](OC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21)C(C)C	ZINC000845851841	681156697	/nfs/dbraw/zinc/15/66/97/681156697.db2.gz	CTNMVIPCSWVPID-OCCSQVGLSA-N	-1	3	352.456	2.482	20	30		FEEDHM
C/C(=C\c1ccc(OC(F)(F)F)cc1)C(=O)N[C@@H]1CCCN([O-])C1=O	ZINC000848131553	681477616	/nfs/dbraw/zinc/47/76/16/681477616.db2.gz	ILNTWBKQOVLTCO-WTNCMQEWSA-N	-1	3	358.316	2.485	20	30		FEEDHM
O=C(Cc1ccc(Br)c(Cl)c1)N[C@H]1CCCN([O-])C1=O	ZINC000848134127	681478103	/nfs/dbraw/zinc/47/81/03/681478103.db2.gz	OCHQTXTWWHVFJP-NSHDSACASA-N	-1	3	361.623	2.141	20	30		FEEDHM
O=C(N[C@@H]1CCCN([O-])C1=O)C1(Cc2ccccc2Br)CC1	ZINC000848133475	681478136	/nfs/dbraw/zinc/47/81/36/681478136.db2.gz	ZLOFHFHQRAAJEH-CYBMUJFWSA-N	-1	3	367.243	2.268	20	30		FEEDHM
Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N[C@H]1CCCN([O-])C1=O	ZINC000848137524	681478584	/nfs/dbraw/zinc/47/85/84/681478584.db2.gz	GLPLVQJJDYWXGB-JTQLQIEISA-N	-1	3	353.444	2.151	20	30		FEEDHM
C[C@@H](CC(=O)N[C@@H]1CCCN([O-])C1=O)c1ccc(Br)cc1	ZINC000848136809	681478627	/nfs/dbraw/zinc/47/86/27/681478627.db2.gz	RLLYOOQDNRERPZ-GXFFZTMASA-N	-1	3	355.232	2.439	20	30		FEEDHM
C[C@@H]1CCCC[C@@H]1COC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000849634834	681769913	/nfs/dbraw/zinc/76/99/13/681769913.db2.gz	XIGHAJUSLBJHIU-CHWSQXEVSA-N	-1	3	350.440	2.095	20	30		FEEDHM
CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)O[C@@H]1C=CCC1	ZINC000780561887	681842932	/nfs/dbraw/zinc/84/29/32/681842932.db2.gz	IBGUKARURZOSBI-HIFRSBDPSA-N	-1	3	362.451	2.402	20	30		FEEDHM
N#Cc1ccc(C[N-]S(=O)(=O)c2cc(Br)ccc2F)nc1	ZINC000780887179	681882941	/nfs/dbraw/zinc/88/29/41/681882941.db2.gz	IMSZJLLRXBKVRB-UHFFFAOYSA-N	-1	3	370.203	2.333	20	30		FEEDHM
Cc1cc(C#N)cc(C)c1CS(=O)(=O)[N-][C@H](C)C(=O)OC(C)(C)C	ZINC000914078304	685493783	/nfs/dbraw/zinc/49/37/83/685493783.db2.gz	AWJRCVMFEZTKOU-CYBMUJFWSA-N	-1	3	352.456	2.325	20	30		FEEDHM
CCc1ccccc1COC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000782238176	682020039	/nfs/dbraw/zinc/02/00/39/682020039.db2.gz	GZCTUHYPVCWGPV-UHFFFAOYSA-N	-1	3	358.419	2.031	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)c2nccs2)ccc1F	ZINC000915155834	685512626	/nfs/dbraw/zinc/51/26/26/685512626.db2.gz	HKCMYEFUXPSJKH-UHFFFAOYSA-N	-1	3	355.416	2.023	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)NCCc2ccc(C)o2)ccc1F	ZINC000915183577	685512911	/nfs/dbraw/zinc/51/29/11/685512911.db2.gz	YEPWDAFKLFHSSL-UHFFFAOYSA-N	-1	3	366.414	2.164	20	30		FEEDHM
N#CC(C(=O)Nc1ccccn1)=C([O-])c1cc(Cl)c2c(c1)OCCO2	ZINC000917507985	685532645	/nfs/dbraw/zinc/53/26/45/685532645.db2.gz	GCOOZSFQGPIGSG-NSHDSACASA-N	-1	3	357.753	2.467	20	30		FEEDHM
Cc1cccc(N(C)C(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)c1C	ZINC000918665294	685540846	/nfs/dbraw/zinc/54/08/46/685540846.db2.gz	NGOPKVGWTDTWDX-UHFFFAOYSA-N	-1	3	357.435	2.005	20	30		FEEDHM
CCN(C[C@@H](C)C#N)C(=O)COC(=O)CCCc1ccc([O-])c(F)c1	ZINC000787844377	682484158	/nfs/dbraw/zinc/48/41/58/682484158.db2.gz	KAPHISRZIFEVFG-ZDUSSCGKSA-N	-1	3	350.390	2.405	20	30		FEEDHM
CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H](CC#N)C2)ccc1F	ZINC000855260419	682645295	/nfs/dbraw/zinc/64/52/95/682645295.db2.gz	ZKGAKIOKDBFJRF-CYBMUJFWSA-N	-1	3	367.446	2.278	20	30		FEEDHM
N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1cccc2nn[n-]c21	ZINC000790078159	682655061	/nfs/dbraw/zinc/65/50/61/682655061.db2.gz	XYTXFTMJWNSSRO-UHFFFAOYSA-N	-1	3	355.741	2.278	20	30		FEEDHM
N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1cccc2[n-]nnc21	ZINC000790078159	682655064	/nfs/dbraw/zinc/65/50/64/682655064.db2.gz	XYTXFTMJWNSSRO-UHFFFAOYSA-N	-1	3	355.741	2.278	20	30		FEEDHM
N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1cccc2n[n-]nc21	ZINC000790078159	682655067	/nfs/dbraw/zinc/65/50/67/682655067.db2.gz	XYTXFTMJWNSSRO-UHFFFAOYSA-N	-1	3	355.741	2.278	20	30		FEEDHM
C=CCN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1)[C@@H](C)COC	ZINC000855372030	682662648	/nfs/dbraw/zinc/66/26/48/682662648.db2.gz	OMJYDWBIQKVAEV-ZDUSSCGKSA-N	-1	3	372.462	2.176	20	30		FEEDHM
C[C@@H](CC(=O)NCCCC1CCC1)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000855802076	682713757	/nfs/dbraw/zinc/71/37/57/682713757.db2.gz	DYVWQMXBIGBDNM-ZDUSSCGKSA-N	-1	3	363.483	2.200	20	30		FEEDHM
C#C[C@H](CCC)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1	ZINC000791212738	682728578	/nfs/dbraw/zinc/72/85/78/682728578.db2.gz	JVGJBCYOEGVFQR-CYBMUJFWSA-N	-1	3	354.447	2.434	20	30		FEEDHM
C#CC[C@@H](Cc1ccccc1)OC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C	ZINC000793375055	682885980	/nfs/dbraw/zinc/88/59/80/682885980.db2.gz	NXYUITVIGJFGBA-HOTGVXAUSA-N	-1	3	351.468	2.128	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CC(CC3CC3)C2)ccc1F	ZINC000857738372	682908929	/nfs/dbraw/zinc/90/89/29/682908929.db2.gz	XISYMDURPRFIMY-UHFFFAOYSA-N	-1	3	352.431	2.162	20	30		FEEDHM
C#CC[C@@H](COC)[N-]S(=O)(=O)c1cc(Br)ccc1Cl	ZINC000859427994	683108203	/nfs/dbraw/zinc/10/82/03/683108203.db2.gz	SWZOJWSWNSYJND-JTQLQIEISA-N	-1	3	366.664	2.419	20	30		FEEDHM
C#CC[C@@H](COC)[N-]S(=O)(=O)c1sc(Br)cc1C	ZINC000859429331	683108477	/nfs/dbraw/zinc/10/84/77/683108477.db2.gz	DMFJYQQUTMLYPG-VIFPVBQESA-N	-1	3	352.275	2.136	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)OC[C@@H](OCC)C2CC2)ccc1F	ZINC000859490586	683118653	/nfs/dbraw/zinc/11/86/53/683118653.db2.gz	FHKHCEVKEDBWJM-OAHLLOKOSA-N	-1	3	371.430	2.262	20	30		FEEDHM
COc1c(F)cc(Br)cc1S(=O)(=O)[N-]CC1(C#N)CC1	ZINC000797464110	683253591	/nfs/dbraw/zinc/25/35/91/683253591.db2.gz	VPVQDCLBUOTPHM-UHFFFAOYSA-N	-1	3	363.208	2.179	20	30		FEEDHM
C[C@@H](CC(=O)OCC#CC(C)(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000798890771	683402412	/nfs/dbraw/zinc/40/24/12/683402412.db2.gz	KYXQNWWFIOIGMR-ZDUSSCGKSA-N	-1	3	362.451	2.096	20	30		FEEDHM
C#C[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)C(C)C	ZINC000799043611	683416803	/nfs/dbraw/zinc/41/68/03/683416803.db2.gz	QYJXITBKCQKJBZ-CQSZACIVSA-N	-1	3	354.447	2.290	20	30		FEEDHM
C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OCCCC(C)(F)F	ZINC000922146748	683669281	/nfs/dbraw/zinc/66/92/81/683669281.db2.gz	DRMKTPIUKDSQJT-JTQLQIEISA-N	-1	3	360.382	2.092	20	30		FEEDHM
Cc1noc(C)c1S(=O)(=O)[N-]C1CCN(c2ccccc2C#N)CC1	ZINC000867611568	684330624	/nfs/dbraw/zinc/33/06/24/684330624.db2.gz	MOTGRJZMQAZMOX-UHFFFAOYSA-N	-1	3	360.439	2.110	20	30		FEEDHM
N#Cc1ccc2c(c1)C[C@@H]([N-]S(=O)(=O)c1cnccc1C(F)(F)F)C2	ZINC000867861792	684412539	/nfs/dbraw/zinc/41/25/39/684412539.db2.gz	HXWNIRMOZQITLI-ZDUSSCGKSA-N	-1	3	367.352	2.418	20	30		FEEDHM
C#C[C@H]1CC[C@H]([N-]S(=O)(=O)N=[S@@](C)(=O)c2ccccc2F)CC1	ZINC000872672998	685002641	/nfs/dbraw/zinc/00/26/41/685002641.db2.gz	DXGDGBJGONLTEK-MZFXBISCSA-N	-1	3	358.460	2.309	20	30		FEEDHM
C#C[C@H]1CC[C@H]([N-]S(=O)(=O)c2sc(C(=O)OC)cc2OC)CC1	ZINC000872671701	685002819	/nfs/dbraw/zinc/00/28/19/685002819.db2.gz	WCTFKSFUSSSVAJ-XYPYZODXSA-N	-1	3	357.453	2.014	20	30		FEEDHM
C=C(C)C[C@H]([N-]S(=O)(=O)c1cnccc1C(F)(F)F)C(=O)OCC	ZINC000882644373	687425244	/nfs/dbraw/zinc/42/52/44/687425244.db2.gz	CDGWADHPUSZONN-NSHDSACASA-N	-1	3	366.361	2.277	20	30		FEEDHM
C#CCN(C(=O)c1cc(Br)c(F)cc1[O-])C1CCN(C)CC1	ZINC000886575689	688278650	/nfs/dbraw/zinc/27/86/50/688278650.db2.gz	FZTRGGKMIJEOQU-UHFFFAOYSA-N	-1	3	369.234	2.463	20	30		FEEDHM
O=C(c1cccc(N2CCCS2(=O)=O)c1)N([O-])Cc1ccc(F)cc1	ZINC000901376589	690641615	/nfs/dbraw/zinc/64/16/15/690641615.db2.gz	WOBZWSXDZPAYJU-UHFFFAOYSA-N	-1	3	364.398	2.397	20	30		FEEDHM
C=C(Cl)C[C@H](NC(=O)NC[C@H](C)N(C)Cc1ccccc1)C(=O)[O-]	ZINC000908990777	691763015	/nfs/dbraw/zinc/76/30/15/691763015.db2.gz	UJBSAMKWDLUGEJ-ZFWWWQNUSA-N	-1	3	353.850	2.402	20	30		FEEDHM
C=C(C)CN1CCC(NC(=O)N[C@H](C(=O)[O-])c2cccc(OC)c2)CC1	ZINC000908946582	939360516	/nfs/dbraw/zinc/36/05/16/939360516.db2.gz	UMOHZQJQRPCNEF-KRWDZBQOSA-N	-1	3	361.442	2.161	20	30		FEEDHM
C#CCN1CCC(C(=O)N[C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)CC1	ZINC000910381446	939756270	/nfs/dbraw/zinc/75/62/70/939756270.db2.gz	YENDLCTVHTXFMA-OAHLLOKOSA-N	-1	3	368.355	2.293	20	30		FEEDHM
COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C#N)cc2)c(F)cc1F	ZINC000024428272	539730926	/nfs/dbraw/zinc/73/09/26/539730926.db2.gz	DNDHWZCRYZWDBG-UHFFFAOYSA-N	-1	3	352.318	2.424	20	30		FEEDHM
CC(C)(C#N)c1ccc(NC(=O)C[N-]S(=O)(=O)c2cccs2)cc1	ZINC000024618796	539736286	/nfs/dbraw/zinc/73/62/86/539736286.db2.gz	JUPHHBXYTKSINF-UHFFFAOYSA-N	-1	3	363.464	2.466	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCN(C)Cc1ccccc1	ZINC000054281540	540580175	/nfs/dbraw/zinc/58/01/75/540580175.db2.gz	PSSMXABDKWVMAA-UHFFFAOYSA-N	-1	3	366.465	2.044	20	30		FEEDHM
C[C@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)Cn1cccn1	ZINC000056072795	540699832	/nfs/dbraw/zinc/69/98/32/540699832.db2.gz	CZRAKCSFEXKDAB-LLVKDONJSA-N	-1	3	372.372	2.388	20	30		FEEDHM
C[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)Cn1cccn1	ZINC000056072794	540699813	/nfs/dbraw/zinc/69/98/13/540699813.db2.gz	CZRAKCSFEXKDAB-NSHDSACASA-N	-1	3	372.372	2.388	20	30		FEEDHM
CSc1[n-]c(=O)c(C(=O)N2CCC[C@H]2CN2CCCCC2)cc1C#N	ZINC000069490211	541690009	/nfs/dbraw/zinc/69/00/09/541690009.db2.gz	YFDDUKDWRLETAR-AWEZNQCLSA-N	-1	3	360.483	2.471	20	30		FEEDHM
O=C([N-]c1nncn1Cc1ccccc1)C(=O)NCc1ccc(F)cc1	ZINC000077682492	542406952	/nfs/dbraw/zinc/40/69/52/542406952.db2.gz	CIXFMRARPATSJS-UHFFFAOYSA-N	-1	3	353.357	2.370	20	30		FEEDHM
COc1ccc([O-])c(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)c1	ZINC000078227420	542448693	/nfs/dbraw/zinc/44/86/93/542448693.db2.gz	JATZGVALEDCZRG-UHFFFAOYSA-N	-1	3	351.406	2.230	20	30		FEEDHM
CC(=O)c1cc(F)cc(CN2CCN(c3ncccc3C#N)CC2)c1[O-]	ZINC000079396541	542515779	/nfs/dbraw/zinc/51/57/79/542515779.db2.gz	KHVIXXXLYRBWII-UHFFFAOYSA-N	-1	3	354.385	2.323	20	30		FEEDHM
CC[C@@H](C#N)NC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl	ZINC000102351709	543066320	/nfs/dbraw/zinc/06/63/20/543066320.db2.gz	ONOLXWFOEIEUCO-VIFPVBQESA-N	-1	3	364.254	2.080	20	30		FEEDHM
N#CCCCS(=O)(=O)[N-][C@H](Cc1ccccc1)C(=O)Nc1ccccc1	ZINC000111342558	543397608	/nfs/dbraw/zinc/39/76/08/543397608.db2.gz	SJDNLRNIGGCFNJ-GOSISDBHSA-N	-1	3	371.462	2.460	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)c1ccc([N+](=O)[O-])cc1	ZINC000115441595	543567563	/nfs/dbraw/zinc/56/75/63/543567563.db2.gz	ZHPZNSQNABDLOR-UHFFFAOYSA-N	-1	3	354.366	2.367	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@]1(C#N)CCC[C@H](C)C1	ZINC000116812594	543617033	/nfs/dbraw/zinc/61/70/33/543617033.db2.gz	DMIKWUKJEHSFLH-GDZNZVCISA-N	-1	3	367.446	2.081	20	30		FEEDHM
CCc1cc(C#N)c([N-]C(=O)c2coc(S(=O)(=O)N(C)C)c2)s1	ZINC000119130850	543664293	/nfs/dbraw/zinc/66/42/93/543664293.db2.gz	GQBKAHDUOPMIQS-UHFFFAOYSA-N	-1	3	353.425	2.278	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)[C@@H](O)Cc1ccccc1	ZINC000129214146	544097916	/nfs/dbraw/zinc/09/79/16/544097916.db2.gz	OKRFTQXBHIRLLJ-LRDDRELGSA-N	-1	3	364.854	2.482	20	30		FEEDHM
COC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)c1cccs1	ZINC000151042848	544499265	/nfs/dbraw/zinc/49/92/65/544499265.db2.gz	JVHHTBHGYJIOIG-GFCCVEGCSA-N	-1	3	368.411	2.342	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCN(C2CCCCC2)CC1	ZINC000154628661	544930285	/nfs/dbraw/zinc/93/02/85/544930285.db2.gz	NIHRJNPZIZVWAK-UHFFFAOYSA-N	-1	3	370.497	2.273	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]CCCOC[C@H]2CCCO2)c(Cl)c1	ZINC000183431247	327817426	/nfs/dbraw/zinc/81/74/26/327817426.db2.gz	DOGDNDYAGKQVRK-CYBMUJFWSA-N	-1	3	358.847	2.076	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(-n2ccnn2)c1	ZINC000120491225	326263362	/nfs/dbraw/zinc/26/33/62/326263362.db2.gz	NEYPAMLUPFOOJE-UHFFFAOYSA-N	-1	3	362.393	2.015	20	30		FEEDHM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]CCCOC1CCCC1	ZINC000156918385	326848269	/nfs/dbraw/zinc/84/82/69/326848269.db2.gz	HUSGHVZZIWDIAY-UHFFFAOYSA-N	-1	3	353.400	2.094	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCOC2(CCCC2)C1	ZINC000159952399	326948492	/nfs/dbraw/zinc/94/84/92/326948492.db2.gz	ZOBMOHDZQNTBGG-OAHLLOKOSA-N	-1	3	357.454	2.404	20	30		FEEDHM
C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1F	ZINC000162349457	327023316	/nfs/dbraw/zinc/02/33/16/327023316.db2.gz	RVQCKMLAOWZIBZ-KDOFPFPSSA-N	-1	3	373.453	2.496	20	30		FEEDHM
COC[C@@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1ccccc1	ZINC000171317519	327131614	/nfs/dbraw/zinc/13/16/14/327131614.db2.gz	HWLWUQZTMFWVDZ-GOSISDBHSA-N	-1	3	353.422	2.300	20	30		FEEDHM
Cc1nc(C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)ccc1[C@@H](C)O	ZINC000272147140	329755905	/nfs/dbraw/zinc/75/59/05/329755905.db2.gz	WODIWLLJTIHANA-LLVKDONJSA-N	-1	3	365.842	2.447	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCCC2(F)F)ccc1F	ZINC000805295161	674329880	/nfs/dbraw/zinc/32/98/80/674329880.db2.gz	XZBIULHNKOTGNN-CYBMUJFWSA-N	-1	3	362.373	2.208	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)OCCCSCC#N)ccc1F	ZINC000805391400	674334676	/nfs/dbraw/zinc/33/46/76/674334676.db2.gz	GLBQNXCRVUZOMM-UHFFFAOYSA-N	-1	3	372.443	2.094	20	30		FEEDHM
COc1ccc([O-])c(C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)c1	ZINC000155983081	545589052	/nfs/dbraw/zinc/58/90/52/545589052.db2.gz	USWBLMRUMXJBRD-UHFFFAOYSA-N	-1	3	355.369	2.374	20	30		FEEDHM
Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C	ZINC000157174725	545708292	/nfs/dbraw/zinc/70/82/92/545708292.db2.gz	TZCGJBRQDZUGHJ-QGZVFWFLSA-N	-1	3	367.453	2.500	20	30		FEEDHM
CC[C@@H]1CCCCN1CC[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000157544165	545753237	/nfs/dbraw/zinc/75/32/37/545753237.db2.gz	FRVPUKXBKMAVIY-CYBMUJFWSA-N	-1	3	366.443	2.009	20	30		FEEDHM
CC[C@@H](C#N)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)OC	ZINC000479141024	561182528	/nfs/dbraw/zinc/18/25/28/561182528.db2.gz	YDOFWUQLKAOXQI-VIFPVBQESA-N	-1	3	350.318	2.072	20	30		FEEDHM
N#Cc1ccc(CS(=O)(=O)[N-][C@@H]2COc3ccc(F)cc32)c(F)c1	ZINC000480698952	561214644	/nfs/dbraw/zinc/21/46/44/561214644.db2.gz	OUHKCZPUVNVHQJ-OAHLLOKOSA-N	-1	3	350.346	2.390	20	30		FEEDHM
CC(C)CCN(CCC#N)C(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1	ZINC000177823262	546692716	/nfs/dbraw/zinc/69/27/16/546692716.db2.gz	IDTJTKFTDKWQRJ-LJQANCHMSA-N	-1	3	356.426	2.143	20	30		FEEDHM
N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]Cc1cccc(-n2cncn2)c1	ZINC000178547295	546810521	/nfs/dbraw/zinc/81/05/21/546810521.db2.gz	OHLANLKSGJUZSR-UHFFFAOYSA-N	-1	3	373.825	2.271	20	30		FEEDHM
C=CCOC[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)OC	ZINC000481563905	561236206	/nfs/dbraw/zinc/23/62/06/561236206.db2.gz	FHZXLKCDWRQCBC-LBPRGKRZSA-N	-1	3	368.238	2.016	20	30		FEEDHM
CC[C@H](CC#N)[N-]S(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1	ZINC000186430601	548134326	/nfs/dbraw/zinc/13/43/26/548134326.db2.gz	IXIJEZBWVVTYAD-GFCCVEGCSA-N	-1	3	371.528	2.423	20	30		FEEDHM
CC[C@@H](CC#N)[N-]S(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1	ZINC000186430589	548134481	/nfs/dbraw/zinc/13/44/81/548134481.db2.gz	IXIJEZBWVVTYAD-LBPRGKRZSA-N	-1	3	371.528	2.423	20	30		FEEDHM
N#CC1([N-]S(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCOC2)CC1	ZINC000188105740	548271411	/nfs/dbraw/zinc/27/14/11/548271411.db2.gz	YITZRSBGYZTXBC-LLVKDONJSA-N	-1	3	356.831	2.090	20	30		FEEDHM
CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)cc1	ZINC000486544034	561350332	/nfs/dbraw/zinc/35/03/32/561350332.db2.gz	JAXARGREWWHGRJ-UHFFFAOYSA-N	-1	3	370.839	2.416	20	30		FEEDHM
CCc1ccc([C@H](C#N)NC(=O)c2cncc([N-]S(C)(=O)=O)c2)cc1	ZINC000489953539	561423177	/nfs/dbraw/zinc/42/31/77/561423177.db2.gz	JFVBLMPANRMFLX-INIZCTEOSA-N	-1	3	358.423	2.010	20	30		FEEDHM
C=C1CCN(C(=O)c2cc(C(C)C)nc3c2c(=O)[n-]c(=O)n3CC)CC1	ZINC000264173525	549988203	/nfs/dbraw/zinc/98/82/03/549988203.db2.gz	MDOXWQKKBLNGBX-UHFFFAOYSA-N	-1	3	356.426	2.433	20	30		FEEDHM
Cc1ncc(CO)c(/C=N/[C@H]2CCN(c3ccccc3Cl)C2=O)c1[O-]	ZINC000264681532	549999449	/nfs/dbraw/zinc/99/94/49/549999449.db2.gz	WYZVFZJTRNRJMG-PZEXIZOFSA-N	-1	3	359.813	2.466	20	30		FEEDHM
COC(=O)[C@H]1CCCC[C@]1(C)NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C	ZINC000270431075	550271589	/nfs/dbraw/zinc/27/15/89/550271589.db2.gz	WBJDDNLYJJGGBF-UZLBHIALSA-N	-1	3	373.453	2.446	20	30		FEEDHM
Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)NCCCC#N)cs2)c1	ZINC000273965023	550517432	/nfs/dbraw/zinc/51/74/32/550517432.db2.gz	IYXBYHAJHUCNES-UHFFFAOYSA-N	-1	3	358.423	2.372	20	30		FEEDHM
C#CCC1(C(=O)NCc2ccc(S(=O)(=O)[N-]C)s2)CCCCC1	ZINC000276327491	550578233	/nfs/dbraw/zinc/57/82/33/550578233.db2.gz	QFYRLPPBAAAENR-UHFFFAOYSA-N	-1	3	354.497	2.246	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-]Cc1ccc(N2CCCCCC2)nc1	ZINC000277076846	550629101	/nfs/dbraw/zinc/62/91/01/550629101.db2.gz	TYMFDSILEPGYJK-UHFFFAOYSA-N	-1	3	371.466	2.207	20	30		FEEDHM
Cc1cc(C#N)ccc1S(=O)(=O)[N-][C@@H](c1cnn(C)c1)C(F)(F)F	ZINC000278622529	550805368	/nfs/dbraw/zinc/80/53/68/550805368.db2.gz	GBOJCHRZEOJUHJ-ZDUSSCGKSA-N	-1	3	358.345	2.182	20	30		FEEDHM
C=C[C@@](C)(CCOC)C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1	ZINC000281577014	551115593	/nfs/dbraw/zinc/11/55/93/551115593.db2.gz	BFLBTUNHDMOBGF-HNNXBMFYSA-N	-1	3	350.381	2.132	20	30		FEEDHM
C=CC[C@@H](CO)[N-]S(=O)(=O)c1c(Cl)cccc1Br	ZINC000282235956	551199059	/nfs/dbraw/zinc/19/90/59/551199059.db2.gz	CQRZHPIJNWDKCA-QMMMGPOBSA-N	-1	3	354.653	2.318	20	30		FEEDHM
N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@@H]1CCC[C@@H]1CCO	ZINC000287229716	551978960	/nfs/dbraw/zinc/97/89/60/551978960.db2.gz	GHWZYOBJQWPQIK-ZWNOBZJWSA-N	-1	3	373.272	2.150	20	30		FEEDHM
N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@@H]1CCC[C@H]1CCO	ZINC000287229714	551978938	/nfs/dbraw/zinc/97/89/38/551978938.db2.gz	GHWZYOBJQWPQIK-GXFFZTMASA-N	-1	3	373.272	2.150	20	30		FEEDHM
C#C[C@@H]([N-]S(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl)C(C)(C)C	ZINC000287368139	551995266	/nfs/dbraw/zinc/99/52/66/551995266.db2.gz	IOSHKRRLCSFAGR-SECBINFHSA-N	-1	3	369.917	2.131	20	30		FEEDHM
COC(=O)C(C)(C)CS(=O)(=O)[N-]c1cccc(OCCCC#N)c1	ZINC000288421761	552151007	/nfs/dbraw/zinc/15/10/07/552151007.db2.gz	HGDYKAVDYDCXNZ-UHFFFAOYSA-N	-1	3	354.428	2.310	20	30		FEEDHM
N#Cc1cccc(OCCN2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c1	ZINC000289472482	552327228	/nfs/dbraw/zinc/32/72/28/552327228.db2.gz	NGVUYQJKDKUJSO-CQSZACIVSA-N	-1	3	355.360	2.328	20	30		FEEDHM
O=C([N-]CC(F)(F)F)C(=O)Nc1cc(F)ccc1OCC(F)(F)F	ZINC000501080927	561589361	/nfs/dbraw/zinc/58/93/61/561589361.db2.gz	WEHKFPAEJYYKTO-UHFFFAOYSA-N	-1	3	362.201	2.384	20	30		FEEDHM
C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C[C@H](O)c1ccc(C#N)cc1	ZINC000292177587	552701634	/nfs/dbraw/zinc/70/16/34/552701634.db2.gz	QGQQTXVALLAIRS-DFBGVHRSSA-N	-1	3	355.360	2.123	20	30		FEEDHM
C=CCC(C)(C)C[N-]S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O	ZINC000292821002	552761452	/nfs/dbraw/zinc/76/14/52/552761452.db2.gz	UHPNVYBYEZLNKG-UHFFFAOYSA-N	-1	3	360.863	2.085	20	30		FEEDHM
CC#CCN(C)C(=O)c1cc(C(C)C)nc2c1c(=O)[n-]c(=O)n2CC(C)C	ZINC000294645216	552923275	/nfs/dbraw/zinc/92/32/75/552923275.db2.gz	SZLAYSZCKFDLPG-UHFFFAOYSA-N	-1	3	370.453	2.372	20	30		FEEDHM
CC(C)c1nc(C[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)n[nH]1	ZINC000295197219	552969074	/nfs/dbraw/zinc/96/90/74/552969074.db2.gz	DUMSLRXGGIIVJO-UHFFFAOYSA-N	-1	3	373.360	2.297	20	30		FEEDHM
Cc1cc([C@](C)(O)C[N-]S(=O)(=O)Cc2ccc(F)cc2C#N)c(C)o1	ZINC000295345800	552990933	/nfs/dbraw/zinc/99/09/33/552990933.db2.gz	YEIPEUUKTIOUBG-QGZVFWFLSA-N	-1	3	366.414	2.234	20	30		FEEDHM
CS(=O)(=O)[N-]c1cncc(C(=O)N[C@H](CCC#N)c2ccccc2)c1	ZINC000502588113	561621628	/nfs/dbraw/zinc/62/16/28/561621628.db2.gz	OKCFMFFJVHWCAJ-MRXNPFEDSA-N	-1	3	358.423	2.228	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2COc3ccccc3O2)c(Cl)c1	ZINC000503446528	561641430	/nfs/dbraw/zinc/64/14/30/561641430.db2.gz	IUUNPQUWXIDICB-LBPRGKRZSA-N	-1	3	364.810	2.330	20	30		FEEDHM
O=C1CC2(CCCCC2)CC(=O)C1C=Nc1cccc2c(=O)[nH][n-]c(=O)c12	ZINC000299254097	553537487	/nfs/dbraw/zinc/53/74/87/553537487.db2.gz	FJZHPSYIKQPLJB-UHFFFAOYSA-N	-1	3	367.405	2.395	20	30		FEEDHM
O=C1CC2(CCCCC2)CC(=O)C1=CNc1cccc2c(=O)[n-][nH]c(=O)c12	ZINC000299254097	553537488	/nfs/dbraw/zinc/53/74/88/553537488.db2.gz	FJZHPSYIKQPLJB-UHFFFAOYSA-N	-1	3	367.405	2.395	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H](O)c1cccc(F)c1	ZINC000299289446	553542853	/nfs/dbraw/zinc/54/28/53/553542853.db2.gz	FXPOMQOIJBYVLP-QGZVFWFLSA-N	-1	3	357.385	2.197	20	30		FEEDHM
CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCc2c(nc[n-]c2=O)C1	ZINC000504148237	561653876	/nfs/dbraw/zinc/65/38/76/561653876.db2.gz	CDTSOKRSEHTKPS-KRWDZBQOSA-N	-1	3	352.394	2.042	20	30		FEEDHM
CNC(=O)c1ccccc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C	ZINC000299643865	553594587	/nfs/dbraw/zinc/59/45/87/553594587.db2.gz	NKAHFUIWJGEJCF-UHFFFAOYSA-N	-1	3	352.394	2.207	20	30		FEEDHM
C[C@]1(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)CCCOC1	ZINC000329176412	553896089	/nfs/dbraw/zinc/89/60/89/553896089.db2.gz	MURXXYFDNZXUAN-LBPRGKRZSA-N	-1	3	352.865	2.205	20	30		FEEDHM
CC(=O)N1CC[C@@H](NC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)C1	ZINC000329898462	554027012	/nfs/dbraw/zinc/02/70/12/554027012.db2.gz	DUXFUKBISCMRGC-OAHLLOKOSA-N	-1	3	355.398	2.104	20	30		FEEDHM
COCC[C@@](C)(C#N)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F	ZINC000508066910	561749942	/nfs/dbraw/zinc/74/99/42/561749942.db2.gz	FVEHDURGGGCUGZ-LBPRGKRZSA-N	-1	3	354.325	2.442	20	30		FEEDHM
COCC[C@](C)(C#N)[N-]S(=O)(=O)c1cc(F)ccc1Br	ZINC000508074480	561750434	/nfs/dbraw/zinc/75/04/34/561750434.db2.gz	QIOVZYYDRCRWGF-GFCCVEGCSA-N	-1	3	365.224	2.185	20	30		FEEDHM
N#Cc1ccncc1NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl	ZINC000509523870	561803759	/nfs/dbraw/zinc/80/37/59/561803759.db2.gz	LCVCSEORKTUKTF-UHFFFAOYSA-N	-1	3	354.794	2.136	20	30		FEEDHM
C[C@H]1C[C@H](NC(=O)N=c2[n-]n(C)cc2C#N)CCN1Cc1ccccc1	ZINC000610572109	554531696	/nfs/dbraw/zinc/53/16/96/554531696.db2.gz	CCTDQOKPANOKDJ-WMLDXEAASA-N	-1	3	352.442	2.466	20	30		FEEDHM
C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N1CCC12CCCCC2	ZINC000365578901	555613884	/nfs/dbraw/zinc/61/38/84/555613884.db2.gz	KZJUHQKJPPAYQN-ZDUSSCGKSA-N	-1	3	361.467	2.049	20	30		FEEDHM
COc1ccc(C#N)cc1NC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1	ZINC000513737936	561948330	/nfs/dbraw/zinc/94/83/30/561948330.db2.gz	LBMALTBWUHPSPC-UHFFFAOYSA-N	-1	3	363.370	2.330	20	30		FEEDHM
N#Cc1cccc(CS(=O)(=O)[N-]C2(c3noc(C(F)F)n3)CCC2)c1	ZINC000366291014	555802931	/nfs/dbraw/zinc/80/29/31/555802931.db2.gz	KXWRSSBPLNLJRB-UHFFFAOYSA-N	-1	3	368.365	2.378	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCCN(Cc3ccccc3)C2)o1	ZINC000367744622	556128400	/nfs/dbraw/zinc/12/84/00/556128400.db2.gz	DEQYQFVIKURMLT-MRXNPFEDSA-N	-1	3	359.451	2.342	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@H](Cc2cnn(C)c2)C1	ZINC000369951028	556739247	/nfs/dbraw/zinc/73/92/47/556739247.db2.gz	HHBCVIGMIHBYGF-OAHLLOKOSA-N	-1	3	367.453	2.033	20	30		FEEDHM
N#Cc1c(Cl)cccc1S(=O)(=O)[N-]Cc1ccnc(-n2ccnc2)c1	ZINC000371019177	557047443	/nfs/dbraw/zinc/04/74/43/557047443.db2.gz	QLPJDOGSLMAZQU-UHFFFAOYSA-N	-1	3	373.825	2.271	20	30		FEEDHM
C=C(C)C[C@@H](C)C(=O)N1CCC[C@H](c2n[nH]cc2[N-]S(C)(=O)=O)C1	ZINC000373361691	557679291	/nfs/dbraw/zinc/67/92/91/557679291.db2.gz	LNITULHFWWJFMR-OLZOCXBDSA-N	-1	3	354.476	2.090	20	30		FEEDHM
C=C(C)C[C@@H](C)C(=O)N1CCC[C@H](c2[nH]ncc2[N-]S(C)(=O)=O)C1	ZINC000373361691	557679292	/nfs/dbraw/zinc/67/92/92/557679292.db2.gz	LNITULHFWWJFMR-OLZOCXBDSA-N	-1	3	354.476	2.090	20	30		FEEDHM
N#Cc1cccc(CCNC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])c1	ZINC000374099644	557823464	/nfs/dbraw/zinc/82/34/64/557823464.db2.gz	OLRGPYUVPQWRPN-GOSISDBHSA-N	-1	3	363.417	2.227	20	30		FEEDHM
CCOC(=O)c1nc(C2CCN(C(=O)c3ccc(C)c(C#N)c3)CC2)n[n-]1	ZINC000374232524	557847867	/nfs/dbraw/zinc/84/78/67/557847867.db2.gz	VOTVWYKGXHLYAS-UHFFFAOYSA-N	-1	3	367.409	2.181	20	30		FEEDHM
CCOC(=O)c1nnc(C2CCN(C(=O)c3ccc(C)c(C#N)c3)CC2)[n-]1	ZINC000374232524	557847869	/nfs/dbraw/zinc/84/78/69/557847869.db2.gz	VOTVWYKGXHLYAS-UHFFFAOYSA-N	-1	3	367.409	2.181	20	30		FEEDHM
CCN(C[C@H](C)C#N)S(=O)(=O)[N-][C@@H](C)c1noc(-c2ccccc2)n1	ZINC000374458610	557886665	/nfs/dbraw/zinc/88/66/65/557886665.db2.gz	LVXCNWQYJKHBFC-OLZOCXBDSA-N	-1	3	363.443	2.114	20	30		FEEDHM
N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]Cc1cnc2n1CCCC2	ZINC000375105195	557978835	/nfs/dbraw/zinc/97/88/35/557978835.db2.gz	KXSKTXQHVTYTTL-UHFFFAOYSA-N	-1	3	350.831	2.223	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc2c1CNCC2	ZINC000375993115	558111058	/nfs/dbraw/zinc/11/10/58/558111058.db2.gz	PFIFGOAKFAVNCH-UHFFFAOYSA-N	-1	3	350.422	2.493	20	30		FEEDHM
N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@@H]1C[C@@H]2OCCC[C@H]12	ZINC000376322064	558157990	/nfs/dbraw/zinc/15/79/90/558157990.db2.gz	LUMFXHXLULARQQ-WQAKAFBOSA-N	-1	3	371.256	2.167	20	30		FEEDHM
Cn1[n-]c(-c2ccccc2Cl)nc1=NS(=O)(=O)c1ccc(C#N)cc1	ZINC000377393432	558332424	/nfs/dbraw/zinc/33/24/24/558332424.db2.gz	QBCSSCVLKMRDCF-UHFFFAOYSA-N	-1	3	373.825	2.230	20	30		FEEDHM
N#Cc1ccsc1C(=O)NC1CCN(C(=O)c2cccc([O-])c2)CC1	ZINC000378177928	558496984	/nfs/dbraw/zinc/49/69/84/558496984.db2.gz	YNZLSBKAYICGTI-UHFFFAOYSA-N	-1	3	355.419	2.360	20	30		FEEDHM
C[C@@H](C[N-]S(=O)(=O)c1cc(Br)ccc1C#N)N(C)C1CC1	ZINC000416389248	559309467	/nfs/dbraw/zinc/30/94/67/559309467.db2.gz	PBHROOHPJOCKLO-JTQLQIEISA-N	-1	3	372.288	2.082	20	30		FEEDHM
N#Cc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CCCOCC1	ZINC000416450646	559313701	/nfs/dbraw/zinc/31/37/01/559313701.db2.gz	AHBQIKRFQQOLAO-GFCCVEGCSA-N	-1	3	359.245	2.168	20	30		FEEDHM
CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(Br)c2C#N)C1	ZINC000416530186	559320092	/nfs/dbraw/zinc/32/00/92/559320092.db2.gz	QTDHEEHQSGNXRR-AOOOYVTPSA-N	-1	3	359.245	2.167	20	30		FEEDHM
CO[C@H]1c2ccccc2C[C@H]1[N-]S(=O)(=O)Cc1cc(C#N)ccc1F	ZINC000416580836	559323112	/nfs/dbraw/zinc/32/31/12/559323112.db2.gz	RKPIOBZXTVLEMR-MSOLQXFVSA-N	-1	3	360.410	2.429	20	30		FEEDHM
CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(NC(=O)NC[C@@H]2CCCO2)cc1	ZINC000416938417	559339258	/nfs/dbraw/zinc/33/92/58/559339258.db2.gz	FPNXRRZTURBZNC-GJZGRUSLSA-N	-1	3	366.443	2.031	20	30		FEEDHM
C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(Br)ccc1C#N	ZINC000425182305	559689921	/nfs/dbraw/zinc/68/99/21/559689921.db2.gz	ZUCYLPWCGOMJOC-AAEUAGOBSA-N	-1	3	371.256	2.190	20	30		FEEDHM
COCC[C@](C)(C#N)[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F	ZINC000427747111	559761496	/nfs/dbraw/zinc/76/14/96/559761496.db2.gz	SPUBJEWBPRYCTF-GFCCVEGCSA-N	-1	3	370.324	2.321	20	30		FEEDHM
CC(C)(C)OC(=O)CCCCC[N-]S(=O)(=O)c1cccnc1C#N	ZINC000428373953	559774162	/nfs/dbraw/zinc/77/41/62/559774162.db2.gz	MJFZZVLEDFNHJC-UHFFFAOYSA-N	-1	3	353.444	2.134	20	30		FEEDHM
N[C@](C(=O)Nc1nnc(C(F)(F)F)[n-]1)(c1cccc(F)c1)C(F)(F)F	ZINC000431523299	559840754	/nfs/dbraw/zinc/84/07/54/559840754.db2.gz	KSSBIRZKDWITBH-JTQLQIEISA-N	-1	3	371.216	2.318	20	30		FEEDHM
N[C@](C(=O)Nc1nc(C(F)(F)F)n[n-]1)(c1cccc(F)c1)C(F)(F)F	ZINC000431523299	559840755	/nfs/dbraw/zinc/84/07/55/559840755.db2.gz	KSSBIRZKDWITBH-JTQLQIEISA-N	-1	3	371.216	2.318	20	30		FEEDHM
C=CCC(C)(C)C[N-]S(=O)(=O)c1cc(C(=O)OC)ccc1C(=O)OC	ZINC000432305508	559855897	/nfs/dbraw/zinc/85/58/97/559855897.db2.gz	ILBVMFFSAYXSBP-UHFFFAOYSA-N	-1	3	369.439	2.140	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc(Cn3ccnc3)cc2)s1	ZINC000435423551	559922552	/nfs/dbraw/zinc/92/25/52/559922552.db2.gz	VADZUCIULMRHFH-UHFFFAOYSA-N	-1	3	358.448	2.343	20	30		FEEDHM
Cn1c(CC[N-]S(=O)(=O)c2ccc(C#N)s2)nc2c1cccc2F	ZINC000435433322	559922954	/nfs/dbraw/zinc/92/29/54/559922954.db2.gz	RGAWLUQCASEXDR-UHFFFAOYSA-N	-1	3	364.427	2.167	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-][C@@H](Cc2ccccc2)[C@H](O)C(F)F)s1	ZINC000435437568	559923131	/nfs/dbraw/zinc/92/31/31/559923131.db2.gz	LIYZEVOBXZZGLY-JSGCOSHPSA-N	-1	3	372.418	2.135	20	30		FEEDHM
COC(=O)[C@@H](CC1CCCCC1)[N-]S(=O)(=O)c1ccc(C#N)s1	ZINC000435442581	559923290	/nfs/dbraw/zinc/92/32/90/559923290.db2.gz	JLBPEEPWBGOELO-CYBMUJFWSA-N	-1	3	356.469	2.410	20	30		FEEDHM
CCOC(=O)[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)C1	ZINC000435621172	559926508	/nfs/dbraw/zinc/92/65/08/559926508.db2.gz	JLDXHYCSITZHBP-NEPJUHHUSA-N	-1	3	356.831	2.222	20	30		FEEDHM
O=C(NCC#Cc1cccc(F)c1)[C@H]1CCCN1C(=O)c1ccccc1[O-]	ZINC000436659205	559948035	/nfs/dbraw/zinc/94/80/35/559948035.db2.gz	XWSNIOOJWGDDTO-GOSISDBHSA-N	-1	3	366.392	2.304	20	30		FEEDHM
COc1cccc(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)c1[O-]	ZINC000436736113	559950406	/nfs/dbraw/zinc/95/04/06/559950406.db2.gz	HYJONEUHSQZMJU-UHFFFAOYSA-N	-1	3	352.325	2.850	20	30		FEEDHM
CC#CCCNC(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1	ZINC000436978342	559958300	/nfs/dbraw/zinc/95/83/00/559958300.db2.gz	GXNXLVKQVFBXNO-UHFFFAOYSA-N	-1	3	357.435	2.482	20	30		FEEDHM
Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1ccc(COc2ccccc2C#N)o1	ZINC000440375290	560009823	/nfs/dbraw/zinc/00/98/23/560009823.db2.gz	MYSLWDSJEIFLAH-UHFFFAOYSA-N	-1	3	366.333	2.492	20	30		FEEDHM
COC(=O)c1c(C2CC2)csc1[N-]C(=O)C(=O)N1CCC(C#N)CC1	ZINC000440423266	560010811	/nfs/dbraw/zinc/01/08/11/560010811.db2.gz	OPCIOETZHVVBLJ-UHFFFAOYSA-N	-1	3	361.423	2.113	20	30		FEEDHM
C=CCC1(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)CCC1	ZINC000441394906	560031145	/nfs/dbraw/zinc/03/11/45/560031145.db2.gz	LHBPBSNCHYRCES-UHFFFAOYSA-N	-1	3	358.410	2.106	20	30		FEEDHM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]Cc1cccc2cccnc21	ZINC000443042866	560067383	/nfs/dbraw/zinc/06/73/83/560067383.db2.gz	ZDEKBRFVKIFWTD-UHFFFAOYSA-N	-1	3	368.374	2.493	20	30		FEEDHM
CN(C)c1ccc(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)cn1	ZINC000443100571	560070797	/nfs/dbraw/zinc/07/07/97/560070797.db2.gz	AQCFNMMJBFDOFI-UHFFFAOYSA-N	-1	3	350.831	2.151	20	30		FEEDHM
N#Cc1ccc(C(=O)Nc2cccc(CN3CCC(O)CC3)c2)cc1[O-]	ZINC000443278796	560077636	/nfs/dbraw/zinc/07/76/36/560077636.db2.gz	XHVMFUUCVMNIAF-UHFFFAOYSA-N	-1	3	351.406	2.473	20	30		FEEDHM
N#Cc1cc(F)ccc1S(=O)(=O)[N-]C1(c2ccc3c(c2)OCO3)CC1	ZINC000443498721	560085459	/nfs/dbraw/zinc/08/54/59/560085459.db2.gz	MGDRUMYHLOOEKS-UHFFFAOYSA-N	-1	3	360.366	2.394	20	30		FEEDHM
COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)c(C)c1)c1ccc(OC)cc1	ZINC000443905954	560095751	/nfs/dbraw/zinc/09/57/51/560095751.db2.gz	YKMCRPGDIVCWGE-KRWDZBQOSA-N	-1	3	374.418	2.068	20	30		FEEDHM
COc1ccc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)nc1	ZINC000443937513	560096618	/nfs/dbraw/zinc/09/66/18/560096618.db2.gz	HRENGZPOIIIMFZ-UHFFFAOYSA-N	-1	3	371.340	2.459	20	30		FEEDHM
CC(C)c1nc(C[N-]S(=O)(=O)c2ccc(CC#N)cc2Cl)n[nH]1	ZINC000451682296	560321746	/nfs/dbraw/zinc/32/17/46/560321746.db2.gz	OWVHMMVPPBWERB-UHFFFAOYSA-N	-1	3	353.835	2.126	20	30		FEEDHM
C=CCC[C@@H](CO)[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)OC	ZINC000452022213	560345947	/nfs/dbraw/zinc/34/59/47/560345947.db2.gz	KHVSMQMYQVVABF-NSHDSACASA-N	-1	3	369.464	2.293	20	30		FEEDHM
N#CCCCC(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl	ZINC000462458669	560810854	/nfs/dbraw/zinc/81/08/54/560810854.db2.gz	KHEVWKSKUAQATJ-UHFFFAOYSA-N	-1	3	364.254	2.082	20	30		FEEDHM
COCCOc1ccc(F)cc1S(=O)(=O)[N-][C@@](C)(C#N)C(C)(C)C	ZINC000468782516	560938564	/nfs/dbraw/zinc/93/85/64/560938564.db2.gz	CDHVMARPMJAAAZ-INIZCTEOSA-N	-1	3	358.435	2.458	20	30		FEEDHM
C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCc1ncccc1[O-]	ZINC000473033910	561040792	/nfs/dbraw/zinc/04/07/92/561040792.db2.gz	HMORDDZEWAULEO-LBPRGKRZSA-N	-1	3	370.434	2.436	20	30		FEEDHM
O=C(NCc1ncccc1[O-])C(=O)Nc1cccc(C#Cc2ccccc2)c1	ZINC000473044154	561040994	/nfs/dbraw/zinc/04/09/94/561040994.db2.gz	GSWOYQZPTYKFLP-UHFFFAOYSA-N	-1	3	371.396	2.442	20	30		FEEDHM
N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2COc3ccccc3O2)c1	ZINC000475551286	561099786	/nfs/dbraw/zinc/09/97/86/561099786.db2.gz	XWATVIJGWXVVAA-GFCCVEGCSA-N	-1	3	364.810	2.330	20	30		FEEDHM
Cc1cccc(OC[C@H](O)C[N-]S(=O)(=O)CC2(C#N)CCCCC2)c1	ZINC000475816223	561106076	/nfs/dbraw/zinc/10/60/76/561106076.db2.gz	PACSCURZSONQFK-MRXNPFEDSA-N	-1	3	366.483	2.128	20	30		FEEDHM
Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)o1	ZINC000531617252	562451763	/nfs/dbraw/zinc/45/17/63/562451763.db2.gz	HSZGGELHDPQFAO-SSDOTTSWSA-N	-1	3	360.317	2.308	20	30		FEEDHM
N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CCc1cnc(C2CC2)nc1	ZINC000533694457	562516219	/nfs/dbraw/zinc/51/62/19/562516219.db2.gz	YEQYXLCLMFOCDU-UHFFFAOYSA-N	-1	3	362.842	2.400	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@H](c3ccncc3)C2)c(F)c1	ZINC000570280417	568472164	/nfs/dbraw/zinc/47/21/64/568472164.db2.gz	WQJIMJZGYMSMLY-ZBFHGGJFSA-N	-1	3	361.398	2.291	20	30		FEEDHM
Cc1nnc(-c2cccc(C#N)c2)n1Cc1cc(-c2nnn[n-]2)ccc1F	ZINC000737521975	598826579	/nfs/dbraw/zinc/82/65/79/598826579.db2.gz	DIPDHJCJIGCSDF-UHFFFAOYSA-N	-1	3	360.356	2.493	20	30		FEEDHM
Cc1nnc(-c2cccc(C#N)c2)n1Cc1cc(-c2nn[n-]n2)ccc1F	ZINC000737521975	598826581	/nfs/dbraw/zinc/82/65/81/598826581.db2.gz	DIPDHJCJIGCSDF-UHFFFAOYSA-N	-1	3	360.356	2.493	20	30		FEEDHM
COC(=O)[C@@H](N[C@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccc(C#N)cc1	ZINC000736893509	598879254	/nfs/dbraw/zinc/87/92/54/598879254.db2.gz	DSKVMKOVBGAJQG-PXAZEXFGSA-N	-1	3	362.393	2.303	20	30		FEEDHM
COC(=O)[C@@H](N[C@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccc(C#N)cc1	ZINC000736893509	598879256	/nfs/dbraw/zinc/87/92/56/598879256.db2.gz	DSKVMKOVBGAJQG-PXAZEXFGSA-N	-1	3	362.393	2.303	20	30		FEEDHM
C#CCOc1ccc(N[C@H](C(=O)OC)c2ccc(-c3nnn[n-]3)cc2)cc1	ZINC000735380985	598883823	/nfs/dbraw/zinc/88/38/23/598883823.db2.gz	QFVJIQSTOQPPMO-KRWDZBQOSA-N	-1	3	363.377	2.205	20	30		FEEDHM
C#CCOc1ccc(N[C@H](C(=O)OC)c2ccc(-c3nn[n-]n3)cc2)cc1	ZINC000735380985	598883825	/nfs/dbraw/zinc/88/38/25/598883825.db2.gz	QFVJIQSTOQPPMO-KRWDZBQOSA-N	-1	3	363.377	2.205	20	30		FEEDHM
C[C@H](COc1cccc(C#N)c1)OC(=O)Cc1ccc(-c2nnn[n-]2)cc1	ZINC000736036714	598888710	/nfs/dbraw/zinc/88/87/10/598888710.db2.gz	AAZGAIYLXLRIRP-CYBMUJFWSA-N	-1	3	363.377	2.292	20	30		FEEDHM
C[C@H](COc1cccc(C#N)c1)OC(=O)Cc1ccc(-c2nn[n-]n2)cc1	ZINC000736036714	598888712	/nfs/dbraw/zinc/88/87/12/598888712.db2.gz	AAZGAIYLXLRIRP-CYBMUJFWSA-N	-1	3	363.377	2.292	20	30		FEEDHM
N#Cc1ccc(NC(=O)[C@@H](c2ccccc2)n2cccn2)cc1-c1nnn[n-]1	ZINC000737718716	598914486	/nfs/dbraw/zinc/91/44/86/598914486.db2.gz	OWNWRULSJKZPSQ-QGZVFWFLSA-N	-1	3	370.376	2.163	20	30		FEEDHM
N#Cc1ccc(NC(=O)[C@@H](c2ccccc2)n2cccn2)cc1-c1nn[n-]n1	ZINC000737718716	598914487	/nfs/dbraw/zinc/91/44/87/598914487.db2.gz	OWNWRULSJKZPSQ-QGZVFWFLSA-N	-1	3	370.376	2.163	20	30		FEEDHM
CC(C)N1c2ccccc2C(=NNCc2ccc(-c3nnn[n-]3)cc2)C1=O	ZINC000820120799	607254154	/nfs/dbraw/zinc/25/41/54/607254154.db2.gz	JPFZKMCZSZSJJS-UHFFFAOYSA-N	-1	3	361.409	2.116	20	30		FEEDHM
CC(C)N1c2ccccc2C(=NNCc2ccc(-c3nn[n-]n3)cc2)C1=O	ZINC000820120799	607254155	/nfs/dbraw/zinc/25/41/55/607254155.db2.gz	JPFZKMCZSZSJJS-UHFFFAOYSA-N	-1	3	361.409	2.116	20	30		FEEDHM
COCCOc1cccc(C=NNCc2ccc(-c3nnn[n-]3)cc2)c1	ZINC000821693687	607254440	/nfs/dbraw/zinc/25/44/40/607254440.db2.gz	JIYYWVGDZUZDRA-UHFFFAOYSA-N	-1	3	352.398	2.016	20	30		FEEDHM
COCCOc1cccc(C=NNCc2ccc(-c3nn[n-]n3)cc2)c1	ZINC000821693687	607254441	/nfs/dbraw/zinc/25/44/41/607254441.db2.gz	JIYYWVGDZUZDRA-UHFFFAOYSA-N	-1	3	352.398	2.016	20	30		FEEDHM
C[C@H](C#N)CNC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1	ZINC000735502895	599031152	/nfs/dbraw/zinc/03/11/52/599031152.db2.gz	HFZORYCBFSMLHA-CYBMUJFWSA-N	-1	3	362.393	2.335	20	30		FEEDHM
N#CCCn1ncc2c1ncnc2Sc1ccc(-c2nnn[n-]2)cc1F	ZINC000822810457	599058301	/nfs/dbraw/zinc/05/83/01/599058301.db2.gz	IQQOPRGMSJJKSD-UHFFFAOYSA-N	-1	3	367.373	2.210	20	30		FEEDHM
N#CCCn1ncc2c1ncnc2Sc1ccc(-c2nn[n-]n2)cc1F	ZINC000822810457	599058303	/nfs/dbraw/zinc/05/83/03/599058303.db2.gz	IQQOPRGMSJJKSD-UHFFFAOYSA-N	-1	3	367.373	2.210	20	30		FEEDHM
CC(=NNc1cccc(-c2nnn[n-]2)c1)c1ccc(S(C)(=O)=O)c(F)c1	ZINC000735450888	599125274	/nfs/dbraw/zinc/12/52/74/599125274.db2.gz	IQMCNTYBWNZRLD-UHFFFAOYSA-N	-1	3	374.401	2.245	20	30		FEEDHM
CC(=NNc1cccc(-c2nn[n-]n2)c1)c1ccc(S(C)(=O)=O)c(F)c1	ZINC000735450888	599125276	/nfs/dbraw/zinc/12/52/76/599125276.db2.gz	IQMCNTYBWNZRLD-UHFFFAOYSA-N	-1	3	374.401	2.245	20	30		FEEDHM
N#Cc1cccc(-c2nnc(CSc3ccc(-c4nnn[n-]4)cn3)o2)c1	ZINC000737722242	599164634	/nfs/dbraw/zinc/16/46/34/599164634.db2.gz	GLEQMEIWTAJYRD-UHFFFAOYSA-N	-1	3	362.378	2.476	20	30		FEEDHM
N#Cc1cccc(-c2nnc(CSc3ccc(-c4nn[n-]n4)cn3)o2)c1	ZINC000737722242	599164636	/nfs/dbraw/zinc/16/46/36/599164636.db2.gz	GLEQMEIWTAJYRD-UHFFFAOYSA-N	-1	3	362.378	2.476	20	30		FEEDHM
N#Cc1ccc(NC(=O)C[C@@H]2OCCc3ccccc32)cc1-c1nnn[n-]1	ZINC000737715839	599198613	/nfs/dbraw/zinc/19/86/13/599198613.db2.gz	FPWBVPQTFCIMCE-KRWDZBQOSA-N	-1	3	360.377	2.381	20	30		FEEDHM
N#Cc1ccc(NC(=O)C[C@@H]2OCCc3ccccc32)cc1-c1nn[n-]n1	ZINC000737715839	599198615	/nfs/dbraw/zinc/19/86/15/599198615.db2.gz	FPWBVPQTFCIMCE-KRWDZBQOSA-N	-1	3	360.377	2.381	20	30		FEEDHM
N#Cc1cccc(OC2CCN(C(=O)c3cccc(-c4nnn[n-]4)c3)CC2)c1	ZINC000737729992	598236985	/nfs/dbraw/zinc/23/69/85/598236985.db2.gz	CBBPXIDEHLHNHM-UHFFFAOYSA-N	-1	3	374.404	2.422	20	30		FEEDHM
N#Cc1cccc(OC2CCN(C(=O)c3cccc(-c4nn[n-]n4)c3)CC2)c1	ZINC000737729992	598236988	/nfs/dbraw/zinc/23/69/88/598236988.db2.gz	CBBPXIDEHLHNHM-UHFFFAOYSA-N	-1	3	374.404	2.422	20	30		FEEDHM
CC(=NNc1cccc(-c2nn[n-]n2)c1)c1cccc(NS(C)(=O)=O)c1	ZINC000735451437	598295378	/nfs/dbraw/zinc/29/53/78/598295378.db2.gz	ZYVSYBJKYVWBOF-UHFFFAOYSA-N	-1	3	371.426	2.074	20	30		FEEDHM
C[C@@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1ccc(C#N)cc1	ZINC000736118286	598318349	/nfs/dbraw/zinc/31/83/49/598318349.db2.gz	MJDYTFININRIFS-LLVKDONJSA-N	-1	3	365.372	2.438	20	30		FEEDHM
C[C@@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1ccc(C#N)cc1	ZINC000736118286	598318352	/nfs/dbraw/zinc/31/83/52/598318352.db2.gz	MJDYTFININRIFS-LLVKDONJSA-N	-1	3	365.372	2.438	20	30		FEEDHM
N#Cc1ccc(CNC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c(F)c1	ZINC000737717466	598324756	/nfs/dbraw/zinc/32/47/56/598324756.db2.gz	DDVWEVZUCNHQMA-UHFFFAOYSA-N	-1	3	355.308	2.338	20	30		FEEDHM
N#Cc1ccc(CNC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c(F)c1	ZINC000737717466	598324757	/nfs/dbraw/zinc/32/47/57/598324757.db2.gz	DDVWEVZUCNHQMA-UHFFFAOYSA-N	-1	3	355.308	2.338	20	30		FEEDHM
Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NCc1ccc(OCC#N)cc1	ZINC000737294025	598534918	/nfs/dbraw/zinc/53/49/18/598534918.db2.gz	JRCRFXGELYVCHV-UHFFFAOYSA-N	-1	3	363.381	2.399	20	30		FEEDHM
Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NCc1ccc(OCC#N)cc1	ZINC000737294025	598534919	/nfs/dbraw/zinc/53/49/19/598534919.db2.gz	JRCRFXGELYVCHV-UHFFFAOYSA-N	-1	3	363.381	2.399	20	30		FEEDHM
N#Cc1ccc(N2CCC[C@@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)c(F)c1	ZINC000737718213	598594051	/nfs/dbraw/zinc/59/40/51/598594051.db2.gz	MHDDFGZBVLPQRA-CQSZACIVSA-N	-1	3	364.388	2.353	20	30		FEEDHM
N#Cc1ccc(N2CCC[C@@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)c(F)c1	ZINC000737718213	598594053	/nfs/dbraw/zinc/59/40/53/598594053.db2.gz	MHDDFGZBVLPQRA-CQSZACIVSA-N	-1	3	364.388	2.353	20	30		FEEDHM
C[C@H](NC(=O)Cc1ccc(OCC#N)cc1)c1ccc(-c2nnn[n-]2)cc1	ZINC000736110700	598649952	/nfs/dbraw/zinc/64/99/52/598649952.db2.gz	JWDNCILBRRMLKN-ZDUSSCGKSA-N	-1	3	362.393	2.189	20	30		FEEDHM
C[C@H](NC(=O)Cc1ccc(OCC#N)cc1)c1ccc(-c2nn[n-]n2)cc1	ZINC000736110700	598649953	/nfs/dbraw/zinc/64/99/53/598649953.db2.gz	JWDNCILBRRMLKN-ZDUSSCGKSA-N	-1	3	362.393	2.189	20	30		FEEDHM
O=[N+]([O-])c1ccc(C=NOCCCOc2ccc(-c3nn[n-]n3)cc2)o1	ZINC000738359619	598699298	/nfs/dbraw/zinc/69/92/98/598699298.db2.gz	KSNDQURVHWJOQF-UHFFFAOYSA-N	-1	3	358.314	2.188	20	30		FEEDHM
N#Cc1cc(-c2nnn[n-]2)c(SCc2c(F)cccc2[N+](=O)[O-])nc1N	ZINC000737705570	598733912	/nfs/dbraw/zinc/73/39/12/598733912.db2.gz	QIFJMGOQHPOFPX-UHFFFAOYSA-N	-1	3	372.345	2.055	20	30		FEEDHM
N#Cc1cc(-c2nn[n-]n2)c(SCc2c(F)cccc2[N+](=O)[O-])nc1N	ZINC000737705570	598733913	/nfs/dbraw/zinc/73/39/13/598733913.db2.gz	QIFJMGOQHPOFPX-UHFFFAOYSA-N	-1	3	372.345	2.055	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)/C=C/C1CCOCC1	ZINC000735419019	598753272	/nfs/dbraw/zinc/75/32/72/598753272.db2.gz	OSWIVMJSXZSCNC-VOTSOKGWSA-N	-1	3	353.426	2.364	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)/C=C/C1CCOCC1	ZINC000735419019	598753273	/nfs/dbraw/zinc/75/32/73/598753273.db2.gz	OSWIVMJSXZSCNC-VOTSOKGWSA-N	-1	3	353.426	2.364	20	30		FEEDHM
N#Cc1cccnc1N1CCN(c2cc(Cl)ccc2-c2nnn[n-]2)CC1	ZINC000737727216	599400576	/nfs/dbraw/zinc/40/05/76/599400576.db2.gz	GYIMLPBMJFNDPG-UHFFFAOYSA-N	-1	3	366.816	2.113	20	30		FEEDHM
N#Cc1cccnc1N1CCN(c2cc(Cl)ccc2-c2nn[n-]n2)CC1	ZINC000737727216	599400578	/nfs/dbraw/zinc/40/05/78/599400578.db2.gz	GYIMLPBMJFNDPG-UHFFFAOYSA-N	-1	3	366.816	2.113	20	30		FEEDHM
Cc1cccc2c1OCC(=Cc1cnc3ccc(-c4nnn[n-]4)cn13)C2=O	ZINC000737410544	599463715	/nfs/dbraw/zinc/46/37/15/599463715.db2.gz	UMVYZWWWLHNLFU-QPEQYQDCSA-N	-1	3	358.361	2.482	20	30		FEEDHM
Cc1cccc2c1OCC(=Cc1cnc3ccc(-c4nn[n-]n4)cn13)C2=O	ZINC000737410544	599463718	/nfs/dbraw/zinc/46/37/18/599463718.db2.gz	UMVYZWWWLHNLFU-QPEQYQDCSA-N	-1	3	358.361	2.482	20	30		FEEDHM
N#Cc1ccnc(N2CCN(c3c(Cl)cccc3-c3nnn[n-]3)CC2)c1	ZINC000822842556	599470122	/nfs/dbraw/zinc/47/01/22/599470122.db2.gz	NZZLMAPIEGJBBW-UHFFFAOYSA-N	-1	3	366.816	2.113	20	30		FEEDHM
N#Cc1ccnc(N2CCN(c3c(Cl)cccc3-c3nn[n-]n3)CC2)c1	ZINC000822842556	599470123	/nfs/dbraw/zinc/47/01/23/599470123.db2.gz	NZZLMAPIEGJBBW-UHFFFAOYSA-N	-1	3	366.816	2.113	20	30		FEEDHM
CCC(CC)CN(CCC#N)CC(=O)Nc1cccc(-c2nnn[n-]2)c1	ZINC000820892954	599640481	/nfs/dbraw/zinc/64/04/81/599640481.db2.gz	HHQCHTMCNWZNDT-UHFFFAOYSA-N	-1	3	355.446	2.457	20	30		FEEDHM
CCC(CC)CN(CCC#N)CC(=O)Nc1cccc(-c2nn[n-]n2)c1	ZINC000820892954	599640482	/nfs/dbraw/zinc/64/04/82/599640482.db2.gz	HHQCHTMCNWZNDT-UHFFFAOYSA-N	-1	3	355.446	2.457	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H](C)c1cnn(C)c1	ZINC000819742884	599675239	/nfs/dbraw/zinc/67/52/39/599675239.db2.gz	BKVJKDSCJMIUAI-CYBMUJFWSA-N	-1	3	366.429	2.059	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H](C)c1cnn(C)c1	ZINC000819742884	599675240	/nfs/dbraw/zinc/67/52/40/599675240.db2.gz	BKVJKDSCJMIUAI-CYBMUJFWSA-N	-1	3	366.429	2.059	20	30		FEEDHM
N#CCOc1ccccc1C(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1	ZINC000826382102	607447530	/nfs/dbraw/zinc/44/75/30/607447530.db2.gz	OOOWWLBYARYGPS-UHFFFAOYSA-N	-1	3	360.377	2.188	20	30		FEEDHM
N#CCOc1ccccc1C(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1	ZINC000826382102	607447532	/nfs/dbraw/zinc/44/75/32/607447532.db2.gz	OOOWWLBYARYGPS-UHFFFAOYSA-N	-1	3	360.377	2.188	20	30		FEEDHM
COC(=O)COc1cccc(CN[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1	ZINC000831185257	601305289	/nfs/dbraw/zinc/30/52/89/601305289.db2.gz	QRLTURGMCDYGAI-GOSISDBHSA-N	-1	3	354.362	2.026	20	30		FEEDHM
CCn1ccnc1CN1CCCN([C@@H](C(=O)[O-])c2cccc(C#N)c2)CC1	ZINC000830424065	601315206	/nfs/dbraw/zinc/31/52/06/601315206.db2.gz	GXHYIXMNJCLNBZ-LJQANCHMSA-N	-1	3	367.453	2.108	20	30		FEEDHM
N#Cc1cccc([C@@H](C(=O)[O-])N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1	ZINC000833074358	601319303	/nfs/dbraw/zinc/31/93/03/601319303.db2.gz	WJKKUMFXYOMWLI-PBHICJAKSA-N	-1	3	367.365	2.174	20	30		FEEDHM
C[C@H](C(=O)[O-])[C@H](NCC(=O)NCc1ccc(C#N)cc1)c1ccccc1	ZINC000826055394	601650554	/nfs/dbraw/zinc/65/05/54/601650554.db2.gz	ZUQDFKFHMIXABY-LIRRHRJNSA-N	-1	3	351.406	2.226	20	30		FEEDHM
C[C@H](NC(=O)[O-])[C@H]1CCCCN1C[C@H](O)COc1ccc(CC#N)cc1	ZINC000739012004	602274375	/nfs/dbraw/zinc/27/43/75/602274375.db2.gz	RFVWVQDFACUAOU-QILLFSRXSA-N	-1	3	361.442	2.003	20	30		FEEDHM
N#Cc1ccccc1OS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1	ZINC000826387090	607574382	/nfs/dbraw/zinc/57/43/82/607574382.db2.gz	FZMVNMSUHXOSSL-UHFFFAOYSA-N	-1	3	361.770	2.159	20	30		FEEDHM
C=C(C)CN1CCC(NC(=O)N2CCC([C@@H](C)NC(=O)[O-])CC2)CC1	ZINC000738485708	602715327	/nfs/dbraw/zinc/71/53/27/602715327.db2.gz	OYFCBKAKNDLIJI-CQSZACIVSA-N	-1	3	352.479	2.105	20	30		FEEDHM
C[C@@H]1CN(CC(=O)C(C#N)c2nc3ccccc3s2)CC[C@@H]1NC(=O)[O-]	ZINC000739179503	602773832	/nfs/dbraw/zinc/77/38/32/602773832.db2.gz	WICYQYAFCNKFBU-AGIUHOORSA-N	-1	3	372.450	2.451	20	30		FEEDHM
Cc1nnc(-c2cccc(C#N)c2)n1CN1CCC(N(C)C(=O)[O-])CC1	ZINC000738380323	603080622	/nfs/dbraw/zinc/08/06/22/603080622.db2.gz	XQEGZJYAKFGTHF-UHFFFAOYSA-N	-1	3	354.414	2.157	20	30		FEEDHM
COCCN(CC(=O)C(C#N)c1nc2cc(F)ccc2s1)C(=O)[O-]	ZINC000739813761	603171354	/nfs/dbraw/zinc/17/13/54/603171354.db2.gz	OFYJUGGTGHZJCD-JTQLQIEISA-N	-1	3	351.359	2.238	20	30		FEEDHM
COc1ccc(CNC(=O)Nc2cc(C#N)ccc2C)cc1-c1nnn[n-]1	ZINC000826200567	607618416	/nfs/dbraw/zinc/61/84/16/607618416.db2.gz	WSLVYJYYQQWNQA-UHFFFAOYSA-N	-1	3	363.381	2.377	20	30		FEEDHM
COc1ccc(CNC(=O)Nc2cc(C#N)ccc2C)cc1-c1nn[n-]n1	ZINC000826200567	607618419	/nfs/dbraw/zinc/61/84/19/607618419.db2.gz	WSLVYJYYQQWNQA-UHFFFAOYSA-N	-1	3	363.381	2.377	20	30		FEEDHM
N#CC(C(=O)C[C@H](Cc1ccccc1)NC(=O)[O-])C(=O)NC1CCCC1	ZINC000831066835	604225918	/nfs/dbraw/zinc/22/59/18/604225918.db2.gz	ZVOQDWGPIFDBLT-HOTGVXAUSA-N	-1	3	357.410	2.023	20	30		FEEDHM
CCOc1ccccc1NC(=O)C(C#N)C(=O)CC1(NC(=O)[O-])CCC1	ZINC000827460194	604253101	/nfs/dbraw/zinc/25/31/01/604253101.db2.gz	OPLPVBJOUNTGSF-GFCCVEGCSA-N	-1	3	359.382	2.313	20	30		FEEDHM
CCOC(=O)Nc1ccc(NC(=O)NCCCCC#N)cc1-c1nnn[n-]1	ZINC000825539515	607767412	/nfs/dbraw/zinc/76/74/12/607767412.db2.gz	QDKZFTJLYMTQMA-UHFFFAOYSA-N	-1	3	372.389	2.250	20	30		FEEDHM
CCOC(=O)Nc1ccc(NC(=O)NCCCCC#N)cc1-c1nn[n-]n1	ZINC000825539515	607767413	/nfs/dbraw/zinc/76/74/13/607767413.db2.gz	QDKZFTJLYMTQMA-UHFFFAOYSA-N	-1	3	372.389	2.250	20	30		FEEDHM
N#Cc1ccc(NCCNc2nc3ccccc3cc2-c2nnn[n-]2)nc1	ZINC000822830248	606039470	/nfs/dbraw/zinc/03/94/70/606039470.db2.gz	ZAPSLCGSZQWGFA-UHFFFAOYSA-N	-1	3	357.381	2.206	20	30		FEEDHM
N#Cc1ccc(NCCNc2nc3ccccc3cc2-c2nn[n-]n2)nc1	ZINC000822830248	606039476	/nfs/dbraw/zinc/03/94/76/606039476.db2.gz	ZAPSLCGSZQWGFA-UHFFFAOYSA-N	-1	3	357.381	2.206	20	30		FEEDHM
C#CCN(CC)CC(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1C1CCCC1	ZINC000819697796	606075901	/nfs/dbraw/zinc/07/59/01/606075901.db2.gz	KVVTYIOEJTVYHF-UHFFFAOYSA-N	-1	3	369.473	2.294	20	30		FEEDHM
C#CCN(CC)CC(=O)Nc1c(-c2nn[n-]n2)c(C)c(C)n1C1CCCC1	ZINC000819697796	606075906	/nfs/dbraw/zinc/07/59/06/606075906.db2.gz	KVVTYIOEJTVYHF-UHFFFAOYSA-N	-1	3	369.473	2.294	20	30		FEEDHM
Fc1ccc(CNC(=S)NN=Cc2cc(-c3nnn[n-]3)cs2)cc1	ZINC000822772418	606204305	/nfs/dbraw/zinc/20/43/05/606204305.db2.gz	YDUWXXBOLKLQDC-UHFFFAOYSA-N	-1	3	361.431	2.066	20	30		FEEDHM
Fc1ccc(CNC(=S)NN=Cc2cc(-c3nn[n-]n3)cs2)cc1	ZINC000822772418	606204307	/nfs/dbraw/zinc/20/43/07/606204307.db2.gz	YDUWXXBOLKLQDC-UHFFFAOYSA-N	-1	3	361.431	2.066	20	30		FEEDHM
C[C@H]1CCN(c2cc(C(=O)Nc3ccc(C#N)c(-c4nnn[n-]4)c3)ccn2)C1	ZINC000820726929	606513607	/nfs/dbraw/zinc/51/36/07/606513607.db2.gz	DFUMSIDAGGRGHX-LBPRGKRZSA-N	-1	3	374.408	2.232	20	30		FEEDHM
C[C@H]1CCN(c2cc(C(=O)Nc3ccc(C#N)c(-c4nn[n-]n4)c3)ccn2)C1	ZINC000820726929	606513609	/nfs/dbraw/zinc/51/36/09/606513609.db2.gz	DFUMSIDAGGRGHX-LBPRGKRZSA-N	-1	3	374.408	2.232	20	30		FEEDHM
C#CCN(CC(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1)C1CCCC1	ZINC000819697563	606783947	/nfs/dbraw/zinc/78/39/47/606783947.db2.gz	IAKKLFSQORLWRG-UHFFFAOYSA-N	-1	3	358.471	2.361	20	30		FEEDHM
C#CCN(CC(=O)Nc1sc(C)c(C)c1-c1nn[n-]n1)C1CCCC1	ZINC000819697563	606783949	/nfs/dbraw/zinc/78/39/49/606783949.db2.gz	IAKKLFSQORLWRG-UHFFFAOYSA-N	-1	3	358.471	2.361	20	30		FEEDHM
N#Cc1ccc(Cl)cc1OS(=O)(=O)c1cccc(-c2nnn[n-]2)c1	ZINC000822825683	606795386	/nfs/dbraw/zinc/79/53/86/606795386.db2.gz	LHZNGBZIVBHDTL-UHFFFAOYSA-N	-1	3	361.770	2.159	20	30		FEEDHM
N#Cc1ccc(Cl)cc1OS(=O)(=O)c1cccc(-c2nn[n-]n2)c1	ZINC000822825683	606795388	/nfs/dbraw/zinc/79/53/88/606795388.db2.gz	LHZNGBZIVBHDTL-UHFFFAOYSA-N	-1	3	361.770	2.159	20	30		FEEDHM
N#Cc1cc(NC(=O)Cc2ccn(-c3ccccc3)n2)ccc1-c1nnn[n-]1	ZINC000822822698	606850315	/nfs/dbraw/zinc/85/03/15/606850315.db2.gz	BZIZOXFCJDUDHT-UHFFFAOYSA-N	-1	3	370.376	2.105	20	30		FEEDHM
N#Cc1cc(NC(=O)Cc2ccn(-c3ccccc3)n2)ccc1-c1nn[n-]n1	ZINC000822822698	606850316	/nfs/dbraw/zinc/85/03/16/606850316.db2.gz	BZIZOXFCJDUDHT-UHFFFAOYSA-N	-1	3	370.376	2.105	20	30		FEEDHM
CC(C)(Oc1ccc(C#N)cc1)C(=O)NCc1cccc(-c2nnn[n-]2)c1	ZINC000820004831	606991650	/nfs/dbraw/zinc/99/16/50/606991650.db2.gz	FFCVWFWNKLVOGT-UHFFFAOYSA-N	-1	3	362.393	2.212	20	30		FEEDHM
CC(C)(Oc1ccc(C#N)cc1)C(=O)NCc1cccc(-c2nn[n-]n2)c1	ZINC000820004831	606991653	/nfs/dbraw/zinc/99/16/53/606991653.db2.gz	FFCVWFWNKLVOGT-UHFFFAOYSA-N	-1	3	362.393	2.212	20	30		FEEDHM
N#CCOc1ccc(CC(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)cc1	ZINC000822815376	607000247	/nfs/dbraw/zinc/00/02/47/607000247.db2.gz	QAPXDEFYGMWPJV-UHFFFAOYSA-N	-1	3	367.340	2.194	20	30		FEEDHM
N#CCOc1ccc(CC(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)cc1	ZINC000822815376	607000248	/nfs/dbraw/zinc/00/02/48/607000248.db2.gz	QAPXDEFYGMWPJV-UHFFFAOYSA-N	-1	3	367.340	2.194	20	30		FEEDHM
C=CCNc1nc(C(=O)OCc2cc(F)ccc2-c2nnn[n-]2)cs1	ZINC000819751068	607074744	/nfs/dbraw/zinc/07/47/44/607074744.db2.gz	OGECFEJEHKYMIW-UHFFFAOYSA-N	-1	3	360.374	2.417	20	30		FEEDHM
C=CCNc1nc(C(=O)OCc2cc(F)ccc2-c2nn[n-]n2)cs1	ZINC000819751068	607074747	/nfs/dbraw/zinc/07/47/47/607074747.db2.gz	OGECFEJEHKYMIW-UHFFFAOYSA-N	-1	3	360.374	2.417	20	30		FEEDHM
C=CCNC(=O)NC(=O)[C@@H](C)Sc1ccc(-c2nnn[n-]2)cc1Cl	ZINC000823925887	607844937	/nfs/dbraw/zinc/84/49/37/607844937.db2.gz	QCPJAUCFUXBOAN-MRVPVSSYSA-N	-1	3	366.834	2.013	20	30		FEEDHM
C=CCNC(=O)NC(=O)[C@@H](C)Sc1ccc(-c2nn[n-]n2)cc1Cl	ZINC000823925887	607844938	/nfs/dbraw/zinc/84/49/38/607844938.db2.gz	QCPJAUCFUXBOAN-MRVPVSSYSA-N	-1	3	366.834	2.013	20	30		FEEDHM
Cc1nnc(-c2cccc(C#N)c2)n1CN(C)c1ccccc1-c1nnn[n-]1	ZINC000826335330	607847270	/nfs/dbraw/zinc/84/72/70/607847270.db2.gz	JAMYYENQMFBRSI-UHFFFAOYSA-N	-1	3	371.408	2.399	20	30		FEEDHM
Cc1nnc(-c2cccc(C#N)c2)n1CN(C)c1ccccc1-c1nn[n-]n1	ZINC000826335330	607847271	/nfs/dbraw/zinc/84/72/71/607847271.db2.gz	JAMYYENQMFBRSI-UHFFFAOYSA-N	-1	3	371.408	2.399	20	30		FEEDHM
COc1ccc(C=NNc2cncc(Br)c2)cc1-c1nnn[n-]1	ZINC000826191192	607964735	/nfs/dbraw/zinc/96/47/35/607964735.db2.gz	ZQDLIWDRNVFFLN-UHFFFAOYSA-N	-1	3	374.202	2.479	20	30		FEEDHM
COc1ccc(C=NNc2cncc(Br)c2)cc1-c1nn[n-]n1	ZINC000826191192	607964736	/nfs/dbraw/zinc/96/47/36/607964736.db2.gz	ZQDLIWDRNVFFLN-UHFFFAOYSA-N	-1	3	374.202	2.479	20	30		FEEDHM
N#Cc1cc(NC(=O)c2ccnc(OCC(F)F)c2)ccc1-c1nnn[n-]1	ZINC000826384252	608005171	/nfs/dbraw/zinc/00/51/71/608005171.db2.gz	NHLVLAYNYFIAFM-UHFFFAOYSA-N	-1	3	371.307	2.030	20	30		FEEDHM
N#Cc1cc(NC(=O)c2ccnc(OCC(F)F)c2)ccc1-c1nn[n-]n1	ZINC000826384252	608005172	/nfs/dbraw/zinc/00/51/72/608005172.db2.gz	NHLVLAYNYFIAFM-UHFFFAOYSA-N	-1	3	371.307	2.030	20	30		FEEDHM
C[C@H](NC(=O)Cc1cccc(OCC#N)c1)c1ccc(-c2nnn[n-]2)cc1	ZINC000824479174	608023467	/nfs/dbraw/zinc/02/34/67/608023467.db2.gz	MCASCTWZNQYOJJ-ZDUSSCGKSA-N	-1	3	362.393	2.189	20	30		FEEDHM
C[C@H](NC(=O)Cc1cccc(OCC#N)c1)c1ccc(-c2nn[n-]n2)cc1	ZINC000824479174	608023468	/nfs/dbraw/zinc/02/34/68/608023468.db2.gz	MCASCTWZNQYOJJ-ZDUSSCGKSA-N	-1	3	362.393	2.189	20	30		FEEDHM
N#CCOc1cccc(CC(=O)OCc2ccc(F)cc2-c2nnn[n-]2)c1	ZINC000826382233	608029951	/nfs/dbraw/zinc/02/99/51/608029951.db2.gz	UYIBBMXSNAJDTE-UHFFFAOYSA-N	-1	3	367.340	2.194	20	30		FEEDHM
N#CCOc1cccc(CC(=O)OCc2ccc(F)cc2-c2nn[n-]n2)c1	ZINC000826382233	608029952	/nfs/dbraw/zinc/02/99/52/608029952.db2.gz	UYIBBMXSNAJDTE-UHFFFAOYSA-N	-1	3	367.340	2.194	20	30		FEEDHM
N#Cc1cccc(CSc2nc(N)c(C#N)cc2-c2nnn[n-]2)c1F	ZINC000826383720	608394758	/nfs/dbraw/zinc/39/47/58/608394758.db2.gz	NEMRHMZNKDZWKB-UHFFFAOYSA-N	-1	3	352.358	2.019	20	30		FEEDHM
N#Cc1cccc(CSc2nc(N)c(C#N)cc2-c2nn[n-]n2)c1F	ZINC000826383720	608394760	/nfs/dbraw/zinc/39/47/60/608394760.db2.gz	NEMRHMZNKDZWKB-UHFFFAOYSA-N	-1	3	352.358	2.019	20	30		FEEDHM
C=CCCOCCNC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1	ZINC000823899244	608426944	/nfs/dbraw/zinc/42/69/44/608426944.db2.gz	RNSVQHLYIAYAGL-UHFFFAOYSA-N	-1	3	368.441	2.258	20	30		FEEDHM
C=CCCOCCNC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1	ZINC000823899244	608426945	/nfs/dbraw/zinc/42/69/45/608426945.db2.gz	RNSVQHLYIAYAGL-UHFFFAOYSA-N	-1	3	368.441	2.258	20	30		FEEDHM
N#Cc1ccccc1N1CCN(Cc2ccc(-c3nnn[n-]3)s2)CC1	ZINC000826387422	608515407	/nfs/dbraw/zinc/51/54/07/608515407.db2.gz	UPRCUDSLCYMULH-UHFFFAOYSA-N	-1	3	351.439	2.122	20	30		FEEDHM
N#Cc1ccccc1N1CCN(Cc2ccc(-c3nn[n-]n3)s2)CC1	ZINC000826387422	608515408	/nfs/dbraw/zinc/51/54/08/608515408.db2.gz	UPRCUDSLCYMULH-UHFFFAOYSA-N	-1	3	351.439	2.122	20	30		FEEDHM
CCc1nn(C)c(CC)c1CN=Nc1cc(-c2nnn[n-]2)cc(Cl)n1	ZINC000825755370	608534091	/nfs/dbraw/zinc/53/40/91/608534091.db2.gz	VXOZERORPKBDRH-UHFFFAOYSA-N	-1	3	359.825	2.219	20	30		FEEDHM
CCc1nn(C)c(CC)c1CN=Nc1cc(-c2nn[n-]n2)cc(Cl)n1	ZINC000825755370	608534092	/nfs/dbraw/zinc/53/40/92/608534092.db2.gz	VXOZERORPKBDRH-UHFFFAOYSA-N	-1	3	359.825	2.219	20	30		FEEDHM
Cc1nc2ccccn2c1CN=Nc1cc(-c2nnn[n-]2)cc(Cl)n1	ZINC000826328899	608541223	/nfs/dbraw/zinc/54/12/23/608541223.db2.gz	IUGKKHQCBGCOBZ-UHFFFAOYSA-N	-1	3	353.777	2.317	20	30		FEEDHM
Cc1nc2ccccn2c1CN=Nc1cc(-c2nn[n-]n2)cc(Cl)n1	ZINC000826328899	608541225	/nfs/dbraw/zinc/54/12/25/608541225.db2.gz	IUGKKHQCBGCOBZ-UHFFFAOYSA-N	-1	3	353.777	2.317	20	30		FEEDHM
C=CCOc1cccc(NS(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)c1	ZINC000823931652	608589309	/nfs/dbraw/zinc/58/93/09/608589309.db2.gz	CMKXVLYAXMFGCH-UHFFFAOYSA-N	-1	3	371.422	2.373	20	30		FEEDHM
C=CCOc1cccc(NS(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)c1	ZINC000823931652	608589312	/nfs/dbraw/zinc/58/93/12/608589312.db2.gz	CMKXVLYAXMFGCH-UHFFFAOYSA-N	-1	3	371.422	2.373	20	30		FEEDHM
O=c1ccccn1N=Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1	ZINC000826502114	609162348	/nfs/dbraw/zinc/16/23/48/609162348.db2.gz	UYIKQYCWQNMVLJ-UHFFFAOYSA-N	-1	3	372.388	2.490	20	30		FEEDHM
O=c1ccccn1N=Cc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1	ZINC000826502114	609162349	/nfs/dbraw/zinc/16/23/49/609162349.db2.gz	UYIKQYCWQNMVLJ-UHFFFAOYSA-N	-1	3	372.388	2.490	20	30		FEEDHM
CC(=NNc1cccc(S(C)(=O)=O)c1)c1ccc(-c2nnn[n-]2)cc1F	ZINC000823962361	609277883	/nfs/dbraw/zinc/27/78/83/609277883.db2.gz	JFJBKGACOAHKAF-UHFFFAOYSA-N	-1	3	374.401	2.245	20	30		FEEDHM
CC(=NNc1cccc(S(C)(=O)=O)c1)c1ccc(-c2nn[n-]n2)cc1F	ZINC000823962361	609277884	/nfs/dbraw/zinc/27/78/84/609277884.db2.gz	JFJBKGACOAHKAF-UHFFFAOYSA-N	-1	3	374.401	2.245	20	30		FEEDHM
N#Cc1ccc(C(=O)Nc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)cc1	ZINC000826384902	609289610	/nfs/dbraw/zinc/28/96/10/609289610.db2.gz	OOMXLKVHAZOFJT-UHFFFAOYSA-N	-1	3	374.339	2.315	20	30		FEEDHM
C[C@H](C#N)CNC(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1	ZINC000824035475	609411344	/nfs/dbraw/zinc/41/13/44/609411344.db2.gz	YRQMFUFRZMABTK-CYBMUJFWSA-N	-1	3	361.409	2.493	20	30		FEEDHM
C[C@H](C#N)CNC(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1	ZINC000824035475	609411347	/nfs/dbraw/zinc/41/13/47/609411347.db2.gz	YRQMFUFRZMABTK-CYBMUJFWSA-N	-1	3	361.409	2.493	20	30		FEEDHM
C=CCN(CCc1ccco1)S(=O)(=O)c1cccc(C)c1-c1nnn[n-]1	ZINC000823909398	609450199	/nfs/dbraw/zinc/45/01/99/609450199.db2.gz	BNPDILMNHKUYHR-UHFFFAOYSA-N	-1	3	373.438	2.188	20	30		FEEDHM
C=CCN(CCc1ccco1)S(=O)(=O)c1cccc(C)c1-c1nn[n-]n1	ZINC000823909398	609450200	/nfs/dbraw/zinc/45/02/00/609450200.db2.gz	BNPDILMNHKUYHR-UHFFFAOYSA-N	-1	3	373.438	2.188	20	30		FEEDHM
COCCOc1ccc(C#N)cc1NCc1ccccc1-c1nnn[n-]1	ZINC000826162796	609485922	/nfs/dbraw/zinc/48/59/22/609485922.db2.gz	SFQYLWLAUMNUSK-UHFFFAOYSA-N	-1	3	350.382	2.376	20	30		FEEDHM
COCCOc1ccc(C#N)cc1NCc1ccccc1-c1nn[n-]n1	ZINC000826162796	609485924	/nfs/dbraw/zinc/48/59/24/609485924.db2.gz	SFQYLWLAUMNUSK-UHFFFAOYSA-N	-1	3	350.382	2.376	20	30		FEEDHM
CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)OCc1cccc(-c2nnn[n-]2)c1	ZINC000824099402	609624839	/nfs/dbraw/zinc/62/48/39/609624839.db2.gz	FWZQEMBBIIRGBJ-SFHVURJKSA-N	-1	3	371.397	2.172	20	30		FEEDHM
CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)OCc1cccc(-c2nn[n-]n2)c1	ZINC000824099402	609624840	/nfs/dbraw/zinc/62/48/40/609624840.db2.gz	FWZQEMBBIIRGBJ-SFHVURJKSA-N	-1	3	371.397	2.172	20	30		FEEDHM
CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)OCc1ccc(-c2nnn[n-]2)cc1	ZINC000824099405	609624866	/nfs/dbraw/zinc/62/48/66/609624866.db2.gz	FXDAICIVSOHHBN-GOSISDBHSA-N	-1	3	371.397	2.172	20	30		FEEDHM
CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)OCc1ccc(-c2nn[n-]n2)cc1	ZINC000824099405	609624867	/nfs/dbraw/zinc/62/48/67/609624867.db2.gz	FXDAICIVSOHHBN-GOSISDBHSA-N	-1	3	371.397	2.172	20	30		FEEDHM
C[C@@H](CC(=O)O[C@H]1CCCC[C@@H]1F)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000811057197	674576145	/nfs/dbraw/zinc/57/61/45/674576145.db2.gz	IFQXNEFIBVQZKR-UBHSHLNASA-N	-1	3	368.430	2.328	20	30		FEEDHM
C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1cc2cc(Cl)sc2[n-]1	ZINC000811394580	674599262	/nfs/dbraw/zinc/59/92/62/674599262.db2.gz	FRXUGBSDEBCLEM-ZETCQYMHSA-N	-1	3	355.803	2.440	20	30		FEEDHM
N#Cc1ccc(C(=O)C[N-]S(=O)(=O)c2cccnc2C(F)(F)F)cc1	ZINC000561552053	674678816	/nfs/dbraw/zinc/67/88/16/674678816.db2.gz	AEUXSENGVHXTDV-UHFFFAOYSA-N	-1	3	369.324	2.133	20	30		FEEDHM
COC(=O)c1cc(C(=O)OCC(=O)Nc2ccc(C#N)c(Cl)c2)c[n-]1	ZINC000814531879	674861439	/nfs/dbraw/zinc/86/14/39/674861439.db2.gz	MQJZSBFLYWDUJG-UHFFFAOYSA-N	-1	3	361.741	2.122	20	30		FEEDHM
Cc1ccc(COC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)o1	ZINC000816427526	675054981	/nfs/dbraw/zinc/05/49/81/675054981.db2.gz	BKUMBPZPXTXJBR-LLVKDONJSA-N	-1	3	362.407	2.149	20	30		FEEDHM
CCCOc1c(Cl)cc(C(=O)N[C@@H]2CCN([O-])C2=O)cc1OCC	ZINC000816693158	675073341	/nfs/dbraw/zinc/07/33/41/675073341.db2.gz	DDTCNIISQLZWBZ-GFCCVEGCSA-N	-1	3	356.806	2.247	20	30		FEEDHM
C[C@H](Sc1nc2ccccc2s1)C(=O)N[C@@H]1CCCN([O-])C1=O	ZINC000816759078	675077935	/nfs/dbraw/zinc/07/79/35/675077935.db2.gz	DPLFLMOBJQYMTC-GXSJLCMTSA-N	-1	3	351.453	2.273	20	30		FEEDHM
O=C(N[C@H]1CCCN([O-])C1=O)c1cc2ccc(OC(F)(F)F)cc2[nH]1	ZINC000816758558	675078048	/nfs/dbraw/zinc/07/80/48/675078048.db2.gz	RVCYAADZYGTDBD-JTQLQIEISA-N	-1	3	357.288	2.177	20	30		FEEDHM
C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H]1CCCN([O-])C1=O	ZINC000816756046	675078099	/nfs/dbraw/zinc/07/80/99/675078099.db2.gz	OQUIABIHSCHGEC-GFCCVEGCSA-N	-1	3	358.316	2.380	20	30		FEEDHM
COCc1c(C(=O)N[C@@H]2CCCN([O-])C2=O)sc2cccc(F)c21	ZINC000816756943	675078189	/nfs/dbraw/zinc/07/81/89/675078189.db2.gz	IURPLIFFNBFNQK-LLVKDONJSA-N	-1	3	352.387	2.297	20	30		FEEDHM
CC(C)[N-]S(=O)(=O)c1cc(C(=O)N(C)C2(C#N)CCC2)ccc1F	ZINC000066322120	670439912	/nfs/dbraw/zinc/43/99/12/670439912.db2.gz	JWYRSXRZIVUXEN-UHFFFAOYSA-N	-1	3	353.419	2.031	20	30		FEEDHM
COC(=O)c1ccc(S(=O)(=O)[N-][C@]2(C#N)CCC[C@H](C)C2)c(F)c1	ZINC000577160053	671420909	/nfs/dbraw/zinc/42/09/09/671420909.db2.gz	GSHQAAPUGPUOBK-MEDUHNTESA-N	-1	3	354.403	2.363	20	30		FEEDHM
CC(C)[N-]S(=O)(=O)c1cc(C(=O)N(CC#N)C2CCCC2)ccc1F	ZINC000125352801	672010728	/nfs/dbraw/zinc/01/07/28/672010728.db2.gz	BVGASWWVQBVCKZ-UHFFFAOYSA-N	-1	3	367.446	2.421	20	30		FEEDHM
COC(=O)[C@H](CC1CCCCC1)[N-]S(=O)(=O)c1ccc(C#N)cc1F	ZINC000583298919	672081983	/nfs/dbraw/zinc/08/19/83/672081983.db2.gz	LGONSXRJVVTSMR-HNNXBMFYSA-N	-1	3	368.430	2.488	20	30		FEEDHM
CCN(C[C@H](C)C#N)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1	ZINC000131643585	672090353	/nfs/dbraw/zinc/09/03/53/672090353.db2.gz	QNNVJGRWNWIUAM-GFCCVEGCSA-N	-1	3	355.435	2.134	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)NCC2(C3CC3)CC2)ccc1F	ZINC000159888767	672286186	/nfs/dbraw/zinc/28/61/86/672286186.db2.gz	JUTACGIMQLYWKK-UHFFFAOYSA-N	-1	3	352.431	2.210	20	30		FEEDHM
N#CC1CN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)C1	ZINC000590489042	672585439	/nfs/dbraw/zinc/58/54/39/672585439.db2.gz	NGLREBHWRXDIFK-UHFFFAOYSA-N	-1	3	359.382	2.222	20	30		FEEDHM
C=CCN(CC=C)[C@@H](C[N-]S(=O)(=O)c1ncn(C)c1Cl)C(C)C	ZINC000193098077	672711981	/nfs/dbraw/zinc/71/19/81/672711981.db2.gz	JEVRYQTYUSQPJS-ZDUSSCGKSA-N	-1	3	360.911	2.050	20	30		FEEDHM
C=CCn1c(=O)c2ccc(C(=O)NC[C@H]3CCCN3C)cc2[n-]c1=S	ZINC000194731144	672766815	/nfs/dbraw/zinc/76/68/15/672766815.db2.gz	SVJJEAFUBIEYEH-CYBMUJFWSA-N	-1	3	358.467	2.069	20	30		FEEDHM
CCCCCCCS(=O)(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1	ZINC000195444409	672784752	/nfs/dbraw/zinc/78/47/52/672784752.db2.gz	BFBZUOSHNJKQKV-UHFFFAOYSA-N	-1	3	368.499	2.450	20	30		FEEDHM
CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)C[C@H](OC)[C@H]1CCOC1	ZINC000594693988	673116921	/nfs/dbraw/zinc/11/69/21/673116921.db2.gz	BFQLMQZHTSQFDA-YOEHRIQHSA-N	-1	3	367.471	2.173	20	30		FEEDHM
C=CC[C@H](CO)CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1	ZINC000539322622	673483853	/nfs/dbraw/zinc/48/38/53/673483853.db2.gz	DNESIFKTXLLQBP-JTQLQIEISA-N	-1	3	365.227	2.205	20	30		FEEDHM
Cc1ccc(C(C)(C)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)cn1	ZINC000544699367	673727441	/nfs/dbraw/zinc/72/74/41/673727441.db2.gz	XOGKFFFRFAYEGF-UHFFFAOYSA-N	-1	3	360.395	2.384	20	30		FEEDHM
C[C@@H](CC(=O)NCC1CCCCC1)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000742465989	673728902	/nfs/dbraw/zinc/72/89/02/673728902.db2.gz	NWMUMCPCGZASCC-ZDUSSCGKSA-N	-1	3	363.483	2.200	20	30		FEEDHM
O=C(Nc1cccc(C=NN2CC(=O)[N-]C2=O)c1)c1ccccc1Cl	ZINC000744810078	673812029	/nfs/dbraw/zinc/81/20/29/673812029.db2.gz	JCIUYNGNSUHPOE-UHFFFAOYSA-N	-1	3	356.769	2.478	20	30		FEEDHM
O=C(CCCCOc1ccc(Br)cc1)N[C@H]1CCN([O-])C1=O	ZINC000820156064	675340061	/nfs/dbraw/zinc/34/00/61/675340061.db2.gz	CISXKXRLDDRBQF-ZDUSSCGKSA-N	-1	3	371.231	2.105	20	30		FEEDHM
CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)N[C@@H]2CCN([O-])C2=O)c1	ZINC000820175524	675341208	/nfs/dbraw/zinc/34/12/08/675341208.db2.gz	ZSLIFYHXEPQVSM-CYBMUJFWSA-N	-1	3	367.833	2.435	20	30		FEEDHM
N#Cc1ccc(NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c(Cl)c1	ZINC000822832970	675509929	/nfs/dbraw/zinc/50/99/29/675509929.db2.gz	LBMIROXBMWTIHB-UHFFFAOYSA-N	-1	3	360.786	2.193	20	30		FEEDHM
N#Cc1ccc(NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c(Cl)c1	ZINC000822832970	675509932	/nfs/dbraw/zinc/50/99/32/675509932.db2.gz	LBMIROXBMWTIHB-UHFFFAOYSA-N	-1	3	360.786	2.193	20	30		FEEDHM
CC(=NNc1cccc(S(C)(=O)=O)c1)c1ccc(-c2nnn[n-]2)s1	ZINC000823962409	675578099	/nfs/dbraw/zinc/57/80/99/675578099.db2.gz	KEFHBIFBLOVICP-UHFFFAOYSA-N	-1	3	362.440	2.168	20	30		FEEDHM
N#Cc1ncn(CCOc2cc(Cl)ccc2Cl)c1-c1nnn[n-]1	ZINC000826388061	675687526	/nfs/dbraw/zinc/68/75/26/675687526.db2.gz	GYONJUZMLNEMNT-UHFFFAOYSA-N	-1	3	350.169	2.321	20	30		FEEDHM
C=CC[C@H]1CCCC[C@H]1NC(=O)[C@H](C)[N-]S(=O)(=O)c1c(C)noc1C	ZINC000617034962	676267837	/nfs/dbraw/zinc/26/78/37/676267837.db2.gz	GJNRWDAQTAAYLR-AEGPPILISA-N	-1	3	369.487	2.209	20	30		FEEDHM
COC(=O)COc1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)cc1	ZINC000619461776	676377558	/nfs/dbraw/zinc/37/75/58/676377558.db2.gz	FRGFGXXHALPNGB-UHFFFAOYSA-N	-1	3	360.391	2.105	20	30		FEEDHM
CC#CC[C@@H](CO)[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F	ZINC000645884623	677274162	/nfs/dbraw/zinc/27/41/62/677274162.db2.gz	LMLQSHLHZFMPKT-JTQLQIEISA-N	-1	3	355.765	2.411	20	30		FEEDHM
C=CC[C@H](CO)C[N-]S(=O)(=O)c1sc(Br)cc1C	ZINC000651629311	677439682	/nfs/dbraw/zinc/43/96/82/677439682.db2.gz	ROWDYWGMUOVQSN-VIFPVBQESA-N	-1	3	354.291	2.282	20	30		FEEDHM
C=CCCC(=O)COC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1	ZINC000761386362	680721939	/nfs/dbraw/zinc/72/19/39/680721939.db2.gz	SNIUEEXBSLLIHQ-UHFFFAOYSA-N	-1	3	357.403	2.205	20	30		FEEDHM
N#CC1(CS(=O)(=O)[N-]Cc2ncc(Br)s2)CCCC1	ZINC000867862470	684413132	/nfs/dbraw/zinc/41/31/32/684413132.db2.gz	DDDSSVAMMVIGPA-UHFFFAOYSA-N	-1	3	364.290	2.409	20	30		FEEDHM
CN(Cc1cc(Cl)cc(Cl)c1)C(=O)Cn1ccc(C=N[O-])nc1=O	ZINC000762773055	680761167	/nfs/dbraw/zinc/76/11/67/680761167.db2.gz	OZJRKBCXQJOXIN-UHFFFAOYSA-N	-1	3	369.208	2.017	20	30		FEEDHM
C=C1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1	ZINC000660068273	678272680	/nfs/dbraw/zinc/27/26/80/678272680.db2.gz	BZMMZJQFRCBGMA-PHIMTYICSA-N	-1	3	365.846	2.392	20	30		FEEDHM
C=C1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1	ZINC000660068273	678272682	/nfs/dbraw/zinc/27/26/82/678272682.db2.gz	BZMMZJQFRCBGMA-PHIMTYICSA-N	-1	3	365.846	2.392	20	30		FEEDHM
C=CCC[C@H](CO)[N-]S(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C	ZINC000832597216	680154174	/nfs/dbraw/zinc/15/41/74/680154174.db2.gz	PAZMTXPBAKMUOP-SECBINFHSA-N	-1	3	367.876	2.102	20	30		FEEDHM
CCn1nccc1C=Nn1c(=S)[n-]nc1[C@@H]1COc2ccccc2O1	ZINC000753691292	680309712	/nfs/dbraw/zinc/30/97/12/680309712.db2.gz	UGPPHCQGYASVFJ-AWEZNQCLSA-N	-1	3	356.411	2.178	20	30		FEEDHM
C#C[C@@H](CC)NC(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1	ZINC000754676852	680370416	/nfs/dbraw/zinc/37/04/16/680370416.db2.gz	YHBLYRGHOGOMRE-LBPRGKRZSA-N	-1	3	357.435	2.480	20	30		FEEDHM
CC[C@@H]1CCC[C@@H]1NC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000757011193	680510503	/nfs/dbraw/zinc/51/05/03/680510503.db2.gz	SDDORNIGECHIRM-NFAWXSAZSA-N	-1	3	363.483	2.199	20	30		FEEDHM
CC/C=C\CNC(=O)[C@H](CC(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000836816684	680518057	/nfs/dbraw/zinc/51/80/57/680518057.db2.gz	YBZUWGTVQLLUFN-KKTNHOPESA-N	-1	3	363.483	2.222	20	30		FEEDHM
C#CC[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl)C(=O)OC	ZINC000841540540	680894547	/nfs/dbraw/zinc/89/45/47/680894547.db2.gz	MPXCEBLJEORTFQ-SNVBAGLBSA-N	-1	3	350.223	2.145	20	30		FEEDHM
COC(=O)c1c(F)ccc(S(=O)(=O)[N-]CC2(C#N)CCCC2)c1F	ZINC000845965531	681166034	/nfs/dbraw/zinc/16/60/34/681166034.db2.gz	IZNFQRWWHPVXAZ-UHFFFAOYSA-N	-1	3	358.366	2.114	20	30		FEEDHM
C=C[C@@H](C)O[N-]C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1	ZINC000846543000	681257369	/nfs/dbraw/zinc/25/73/69/681257369.db2.gz	FETFJUMEUNGHPK-YPMHNXCESA-N	-1	3	358.485	2.080	20	30		FEEDHM
C#CCOc1cc(F)ccc1NC(=O)NCc1nc(C(F)(F)F)n[n-]1	ZINC000775640872	681321149	/nfs/dbraw/zinc/32/11/49/681321149.db2.gz	JSMNWJHPBRFRCA-UHFFFAOYSA-N	-1	3	357.267	2.296	20	30		FEEDHM
C=CCCC[C@H](C)NC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000776013810	681356131	/nfs/dbraw/zinc/35/61/31/681356131.db2.gz	DYIWHBUPMLILFV-UONOGXRCSA-N	-1	3	363.483	2.365	20	30		FEEDHM
C#Cc1cccc(NC(=O)C[N-]S(=O)(=O)Cc2ccc(F)cc2F)c1	ZINC000779877301	681764721	/nfs/dbraw/zinc/76/47/21/681764721.db2.gz	LWROQKLWWJJZNQ-UHFFFAOYSA-N	-1	3	364.373	2.004	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)OCc2csc(C)n2)ccc1F	ZINC000914467530	685508168	/nfs/dbraw/zinc/50/81/68/685508168.db2.gz	FLEWRGOFOYMKSY-UHFFFAOYSA-N	-1	3	370.427	2.412	20	30		FEEDHM
Cc1cc(C#N)cc(C)c1CS(=O)(=O)[N-][C@]1(C)CC(C)(C)OC1=O	ZINC000915921273	685519645	/nfs/dbraw/zinc/51/96/45/685519645.db2.gz	IEVSVRSXWBPQCW-QGZVFWFLSA-N	-1	3	350.440	2.079	20	30		FEEDHM
N#Cc1cnn2c1[nH]c(COC(=O)c1cc(F)cc(Cl)c1[O-])cc2=O	ZINC000783950093	682188785	/nfs/dbraw/zinc/18/87/85/682188785.db2.gz	NZKROSSJQIAZMH-UHFFFAOYSA-N	-1	3	362.704	2.162	20	30		FEEDHM
CC(C)(C#N)CS(=O)(=O)[N-][C@H]1CCN(c2ccc(Cl)cc2F)C1=O	ZINC000918151002	685537521	/nfs/dbraw/zinc/53/75/21/685537521.db2.gz	DTEWYWWWGPUYFG-LBPRGKRZSA-N	-1	3	373.837	2.054	20	30		FEEDHM
C[C@@H](OC(=O)c1cccc(Br)c1[O-])C(=O)NC1(C#N)CCC1	ZINC000787694465	682473440	/nfs/dbraw/zinc/47/34/40/682473440.db2.gz	CYVIRRWJCIBGHX-SECBINFHSA-N	-1	3	367.199	2.262	20	30		FEEDHM
CC(C)(C#N)CS(=O)(=O)[N-][C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O	ZINC000790049039	682652042	/nfs/dbraw/zinc/65/20/42/682652042.db2.gz	LHPBOGWPRGWSFX-ZDUSSCGKSA-N	-1	3	373.837	2.054	20	30		FEEDHM
C=CCCCC(=O)NCc1nc(CNC(=O)OC(C)(C)C)cc(=O)[n-]1	ZINC000856336108	682767600	/nfs/dbraw/zinc/76/76/00/682767600.db2.gz	NOGWSRWUIOSWBI-UHFFFAOYSA-N	-1	3	350.419	2.179	20	30		FEEDHM
CN(C)S(=O)(=O)C[C@H](/N=C\c1cc(Cl)ccc1[O-])C(F)(F)F	ZINC000794677794	682989340	/nfs/dbraw/zinc/98/93/40/682989340.db2.gz	YNPOUAIURRUPMC-XGOHCEGFSA-N	-1	3	358.769	2.287	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)NCc2occc2C)ccc1F	ZINC000794891000	683001546	/nfs/dbraw/zinc/00/15/46/683001546.db2.gz	GVLLAAMUIMFZNX-UHFFFAOYSA-N	-1	3	352.387	2.121	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)OCc2cncc(F)c2)ccc1F	ZINC000795421063	683051505	/nfs/dbraw/zinc/05/15/05/683051505.db2.gz	CULHLCZNVLHZPF-UHFFFAOYSA-N	-1	3	368.361	2.181	20	30		FEEDHM
COc1cc2c(cc1C=N[N-]S(=O)(=O)Cc1ccccc1)O[C@H](C)C2	ZINC000920382931	683337754	/nfs/dbraw/zinc/33/77/54/683337754.db2.gz	CNSKSTDDIUUZLT-CYBMUJFWSA-N	-1	3	360.435	2.472	20	30		FEEDHM
C=C(Br)CNC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O	ZINC000921042506	683389383	/nfs/dbraw/zinc/38/93/83/683389383.db2.gz	IGCGPVJQSOXAPS-UHFFFAOYSA-N	-1	3	363.215	2.120	20	30		FEEDHM
Cc1cc(Br)c([O-])c(C=NNCCCN2CCOCC2)c1	ZINC000799489807	683460181	/nfs/dbraw/zinc/46/01/81/683460181.db2.gz	DCQYSCSMFQMLLL-UHFFFAOYSA-N	-1	3	356.264	2.109	20	30		FEEDHM
COC(=O)[C@H]([N-]S(=O)(=O)CCCC#N)c1ccc(C(F)(F)F)cc1	ZINC000921853103	683593159	/nfs/dbraw/zinc/59/31/59/683593159.db2.gz	DSUUWYOYXYURGI-GFCCVEGCSA-N	-1	3	364.345	2.143	20	30		FEEDHM
C=CC[C@@H]1CCN(C(=O)C[C@H](C)[N-]S(=O)(=O)c2cccnc2Cl)C1	ZINC000862543256	683599782	/nfs/dbraw/zinc/59/97/82/683599782.db2.gz	FXOVCXKCBNAHGL-QWHCGFSZSA-N	-1	3	371.890	2.217	20	30		FEEDHM
CC(C)(C)[C@H]([N-]S(C)(=O)=O)C(=O)OCc1cc(Cl)cc(C#N)c1	ZINC000922541118	683743793	/nfs/dbraw/zinc/74/37/93/683743793.db2.gz	HNRNSFKMKMYSAN-CYBMUJFWSA-N	-1	3	358.847	2.219	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CCc2ncsc2C1	ZINC000910822291	685123876	/nfs/dbraw/zinc/12/38/76/685123876.db2.gz	TUHJEVMXWZTRHH-LBPRGKRZSA-N	-1	3	356.451	2.339	20	30		FEEDHM
Cc1cc(NC(=O)N[C@H]2CCCN([O-])C2=O)ccc1OCC(F)(F)F	ZINC000878773604	686656287	/nfs/dbraw/zinc/65/62/87/686656287.db2.gz	GMIJBPZUSKNVJY-NSHDSACASA-N	-1	3	361.320	2.438	20	30		FEEDHM
C=C[C@@H](C(=O)OC)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21	ZINC000879467492	686828553	/nfs/dbraw/zinc/82/85/53/686828553.db2.gz	IEMPEYPKLWLGKA-AAEUAGOBSA-N	-1	3	356.344	2.386	20	30		FEEDHM
O=C(Nc1ccc(Cl)cc1OCC(F)F)N[C@H]1CCCN([O-])C1=O	ZINC000879587519	686864231	/nfs/dbraw/zinc/86/42/31/686864231.db2.gz	XAMBHNCFWWWMMA-JTQLQIEISA-N	-1	3	363.748	2.486	20	30		FEEDHM
O=C(Nc1ccc(F)c(Br)c1F)N[C@H]1CCCN([O-])C1=O	ZINC000880141282	687005381	/nfs/dbraw/zinc/00/53/81/687005381.db2.gz	PCCIEHJOBYFTIB-QMMMGPOBSA-N	-1	3	364.146	2.229	20	30		FEEDHM
COCCOCc1cc(C#N)ccc1NCc1nc(C(F)(F)F)n[n-]1	ZINC000882207717	687324506	/nfs/dbraw/zinc/32/45/06/687324506.db2.gz	WFWNUPLBCNYXOE-UHFFFAOYSA-N	-1	3	355.320	2.470	20	30		FEEDHM
COC(=O)C1CC2(C1)C[C@@H](/N=C/c1c(CO)cnc(C)c1[O-])CCS2	ZINC000899232603	690323219	/nfs/dbraw/zinc/32/32/19/690323219.db2.gz	QNZHUBNDXLSWJZ-XONMWGIXSA-N	-1	3	364.467	2.224	20	30		FEEDHM
O=C([C@H]1CS(=O)(=O)C[C@H]1C(F)(F)F)N([O-])Cc1ccccc1Cl	ZINC000904192416	691011617	/nfs/dbraw/zinc/01/16/17/691011617.db2.gz	KZJQCUPUKTXLJW-VHSXEESVSA-N	-1	3	371.764	2.281	20	30		FEEDHM
O=C(N[C@@H]1CCCN([O-])C1=O)c1ccc(Nc2nccs2)cc1F	ZINC000908407304	691674589	/nfs/dbraw/zinc/67/45/89/691674589.db2.gz	VNJBKLMYMUUJIK-GFCCVEGCSA-N	-1	3	350.375	2.136	20	30		FEEDHM
C=C(Cl)C[C@H](NC(=O)N[C@H]1CCN(Cc2ccccc2)C1)C(=O)[O-]	ZINC000908756677	691724487	/nfs/dbraw/zinc/72/44/87/691724487.db2.gz	LBLYPPQLDGHNNK-GJZGRUSLSA-N	-1	3	351.834	2.156	20	30		FEEDHM
COc1ccc(CCNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1	ZINC000017154942	539640168	/nfs/dbraw/zinc/64/01/68/539640168.db2.gz	FTDABOCHGSAINC-UHFFFAOYSA-N	-1	3	353.422	2.164	20	30		FEEDHM
Cc1csc(C(C#N)=C([O-])c2ccc(N3CCCS3(=O)=O)cc2)n1	ZINC000041518168	540023961	/nfs/dbraw/zinc/02/39/61/540023961.db2.gz	PNLZTJGNOVBZDS-CQSZACIVSA-N	-1	3	361.448	2.482	20	30		FEEDHM
COc1ccc(CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c(OC)c1	ZINC000043741324	540108053	/nfs/dbraw/zinc/10/80/53/540108053.db2.gz	CBORUPQOKKDFED-UHFFFAOYSA-N	-1	3	369.421	2.130	20	30		FEEDHM
N#Cc1cccnc1NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F	ZINC000047280658	540301727	/nfs/dbraw/zinc/30/17/27/540301727.db2.gz	JXNKQHOERLGKTP-UHFFFAOYSA-N	-1	3	354.794	2.136	20	30		FEEDHM
C[C@@H](NC(=O)CNC(=O)c1c[n-]c2ccccc2c1=O)c1ccc(C#N)cc1	ZINC000052505514	540468637	/nfs/dbraw/zinc/46/86/37/540468637.db2.gz	DIHGBRLLIUFLPJ-CYBMUJFWSA-N	-1	3	374.400	2.007	20	30		FEEDHM
COC(=O)COc1cccc(C(=O)Nc2nnc(-c3ccccn3)[n-]2)c1	ZINC000056810093	540747230	/nfs/dbraw/zinc/74/72/30/540747230.db2.gz	LROHYDWSKLVFLK-UHFFFAOYSA-N	-1	3	353.338	2.055	20	30		FEEDHM
COC(=O)COc1cccc(C(=O)Nc2nc(-c3ccccn3)n[n-]2)c1	ZINC000056810093	540747231	/nfs/dbraw/zinc/74/72/31/540747231.db2.gz	LROHYDWSKLVFLK-UHFFFAOYSA-N	-1	3	353.338	2.055	20	30		FEEDHM
COC(=O)COc1cccc(C(=O)Nc2n[n-]c(-c3ccccn3)n2)c1	ZINC000056810093	540747233	/nfs/dbraw/zinc/74/72/33/540747233.db2.gz	LROHYDWSKLVFLK-UHFFFAOYSA-N	-1	3	353.338	2.055	20	30		FEEDHM
CCC[C@H](C#N)NC(=O)c1cc(C(C)C)nc2c1c(=O)[n-]c(=O)n2CCC	ZINC000060341992	541105884	/nfs/dbraw/zinc/10/58/84/541105884.db2.gz	LKRCBUNCJYFDJT-GFCCVEGCSA-N	-1	3	371.441	2.040	20	30		FEEDHM
O=C(CCNC(=O)OCC(F)(F)F)Nc1nnc(-c2ccccn2)[n-]1	ZINC000065880112	541268838	/nfs/dbraw/zinc/26/88/38/541268838.db2.gz	YIVNGSWMDGSMEN-UHFFFAOYSA-N	-1	3	358.280	2.133	20	30		FEEDHM
O=C(CCNC(=O)OCC(F)(F)F)Nc1nc(-c2ccccn2)n[n-]1	ZINC000065880112	541268841	/nfs/dbraw/zinc/26/88/41/541268841.db2.gz	YIVNGSWMDGSMEN-UHFFFAOYSA-N	-1	3	358.280	2.133	20	30		FEEDHM
O=C(CCNC(=O)OCC(F)(F)F)Nc1n[n-]c(-c2ccccn2)n1	ZINC000065880112	541268845	/nfs/dbraw/zinc/26/88/45/541268845.db2.gz	YIVNGSWMDGSMEN-UHFFFAOYSA-N	-1	3	358.280	2.133	20	30		FEEDHM
CNC(=O)COc1ccc(C([O-])=C(C#N)c2nc(C)cs2)cc1OC	ZINC000066504306	541330961	/nfs/dbraw/zinc/33/09/61/541330961.db2.gz	PJDGCKICORGJKB-GFCCVEGCSA-N	-1	3	359.407	2.075	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccn(-c2ccncc2)n1	ZINC000071028126	541759381	/nfs/dbraw/zinc/75/93/81/541759381.db2.gz	GPRIPUGILOAHPZ-UHFFFAOYSA-N	-1	3	362.393	2.015	20	30		FEEDHM
COc1ccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1OC	ZINC000015658384	220158276	/nfs/dbraw/zinc/15/82/76/220158276.db2.gz	CNXVWJZLFCRLRN-UHFFFAOYSA-N	-1	3	355.394	2.452	20	30		FEEDHM
C=CCOc1cccc(NC(=O)c2cc(S(=O)(=O)[N-]C)oc2C)c1	ZINC000081712037	542672521	/nfs/dbraw/zinc/67/25/21/542672521.db2.gz	XSRAMPDYZGFZAY-UHFFFAOYSA-N	-1	3	350.396	2.313	20	30		FEEDHM
C[N-]S(=O)(=O)c1cc(C(=O)N[C@@](C)(C#N)C2CCCCC2)c(C)o1	ZINC000081761169	542675714	/nfs/dbraw/zinc/67/57/14/542675714.db2.gz	DVZWYJYTTHIMJW-INIZCTEOSA-N	-1	3	353.444	2.089	20	30		FEEDHM
C=C(C)CN1CCC(NC(=O)c2nn(-c3ccc(F)cc3)cc2[O-])CC1	ZINC000084389684	542713373	/nfs/dbraw/zinc/71/33/73/542713373.db2.gz	QPBYJMSNUFNLQB-UHFFFAOYSA-N	-1	3	358.417	2.487	20	30		FEEDHM
N#C[C@@H]1COCCN1Cc1nc(=O)c2c(-c3ccccc3)csc2[n-]1	ZINC000089130016	542757914	/nfs/dbraw/zinc/75/79/14/542757914.db2.gz	CCFBBDXFYGUTRR-CYBMUJFWSA-N	-1	3	352.419	2.376	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(-c2nc(-c3ccccn3)no2)ccc1F	ZINC000109495893	543326590	/nfs/dbraw/zinc/32/65/90/543326590.db2.gz	CUWASQYZCFGZBK-UHFFFAOYSA-N	-1	3	360.370	2.402	20	30		FEEDHM
N#Cc1ccc(CSCC(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1	ZINC000109875830	543342886	/nfs/dbraw/zinc/34/28/86/543342886.db2.gz	WFXUQGVOQLSCQE-UHFFFAOYSA-N	-1	3	364.434	2.288	20	30		FEEDHM
N#Cc1ccc(CSCC(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1	ZINC000109875830	543342888	/nfs/dbraw/zinc/34/28/88/543342888.db2.gz	WFXUQGVOQLSCQE-UHFFFAOYSA-N	-1	3	364.434	2.288	20	30		FEEDHM
CCN(C[C@H](C)C#N)C(=O)CN1CCC(C(=O)Nc2ccccc2[O-])CC1	ZINC000121260987	543691319	/nfs/dbraw/zinc/69/13/19/543691319.db2.gz	GHAFQHLORBOTLN-OAHLLOKOSA-N	-1	3	372.469	2.051	20	30		FEEDHM
C=CCCS(=O)(=O)[N-]c1ccc(C(=O)N(C)C2CCOCC2)cc1	ZINC000120277779	543678484	/nfs/dbraw/zinc/67/84/84/543678484.db2.gz	PTJKTOHDWWFRRA-UHFFFAOYSA-N	-1	3	352.456	2.255	20	30		FEEDHM
Cc1cccc(NCC[N-]S(=O)(=O)c2cccc(Cl)c2C#N)n1	ZINC000124304935	543813221	/nfs/dbraw/zinc/81/32/21/543813221.db2.gz	FMTJCKMQRZYQIF-UHFFFAOYSA-N	-1	3	350.831	2.306	20	30		FEEDHM
CN(CC[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)C1CCCCC1	ZINC000124621451	543833576	/nfs/dbraw/zinc/83/35/76/543833576.db2.gz	LMXBHDZJKWURRP-UHFFFAOYSA-N	-1	3	357.426	2.379	20	30		FEEDHM
N#Cc1cccc(CNCC[N-]S(=O)(=O)c2ccc(Cl)s2)c1	ZINC000127896142	544020360	/nfs/dbraw/zinc/02/03/60/544020360.db2.gz	BLRURLGKWYQTFV-UHFFFAOYSA-N	-1	3	355.872	2.341	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)[C@H]1COc2ccccc21	ZINC000128691693	544067408	/nfs/dbraw/zinc/06/74/08/544067408.db2.gz	DWPIPWSSMCDILA-RDTXWAMCSA-N	-1	3	365.433	2.477	20	30		FEEDHM
COc1cc(C#N)ccc1OCCN(C)Cc1nc2ccsc2c(=O)[n-]1	ZINC000131580590	544196381	/nfs/dbraw/zinc/19/63/81/544196381.db2.gz	OUBGODJAVBXTLL-UHFFFAOYSA-N	-1	3	370.434	2.376	20	30		FEEDHM
C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2c(F)cccc2CO)c1	ZINC000134668315	544317812	/nfs/dbraw/zinc/31/78/12/544317812.db2.gz	YIIVIIVCQOIDEG-UHFFFAOYSA-N	-1	3	364.398	2.035	20	30		FEEDHM
CCCOc1ncccc1CNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C	ZINC000146325672	544438575	/nfs/dbraw/zinc/43/85/75/544438575.db2.gz	ZOIOWSURHDJOGY-UHFFFAOYSA-N	-1	3	368.437	2.296	20	30		FEEDHM
C[C@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1F)N1CCc2ccccc2C1	ZINC000151053901	544500599	/nfs/dbraw/zinc/50/05/99/544500599.db2.gz	KNSSAHMZJDTZNH-CQSZACIVSA-N	-1	3	373.453	2.422	20	30		FEEDHM
COc1ccc(C[N-]S(=O)(=O)c2ccc(C#N)cc2F)c(OC)c1	ZINC000151087008	544503793	/nfs/dbraw/zinc/50/37/93/544503793.db2.gz	HTFDXZHREOMTKZ-UHFFFAOYSA-N	-1	3	350.371	2.193	20	30		FEEDHM
CCO[C@@H]1C[C@@H](NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C12CCC2	ZINC000152369855	544644523	/nfs/dbraw/zinc/64/45/23/544644523.db2.gz	IVFKOSOBBMFCKD-IAGOWNOFSA-N	-1	3	357.454	2.260	20	30		FEEDHM
N#Cc1cc(F)cc(C2(C(=O)NCc3nc(C(F)(F)F)n[n-]3)CC2)c1	ZINC000803122553	674223892	/nfs/dbraw/zinc/22/38/92/674223892.db2.gz	ZWKDHKLHJQMSAI-UHFFFAOYSA-N	-1	3	353.279	2.182	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC[C@@](C)(O)c1ccccc1	ZINC000187468419	328027921	/nfs/dbraw/zinc/02/79/21/328027921.db2.gz	VVPVCEOGAFWEEU-OAQYLSRUSA-N	-1	3	367.449	2.210	20	30		FEEDHM
N#Cc1ccc(C(=O)NCc2ccccc2CN2CCC[C@H]2CO)cc1[O-]	ZINC000189198661	328134288	/nfs/dbraw/zinc/13/42/88/328134288.db2.gz	ZNMLTZMHWGOMHX-IBGZPJMESA-N	-1	3	365.433	2.151	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CCCC[C@@H]1n1cccn1	ZINC000080512675	325134056	/nfs/dbraw/zinc/13/40/56/325134056.db2.gz	CFHNIAVUSVYXQB-ROUUACIJSA-N	-1	3	367.453	2.293	20	30		FEEDHM
COc1ccc(CN2CCN(C(=O)c3ccccc3[O-])CC2)cc1C#N	ZINC000135196199	326637754	/nfs/dbraw/zinc/63/77/54/326637754.db2.gz	XIFBIHAKWLGILR-UHFFFAOYSA-N	-1	3	351.406	2.230	20	30		FEEDHM
COc1cc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)ccc1C	ZINC000156710276	326841526	/nfs/dbraw/zinc/84/15/26/326841526.db2.gz	UIZBGTVDHYTXGF-UHFFFAOYSA-N	-1	3	361.379	2.262	20	30		FEEDHM
Cc1cc([N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)c[nH]c1=O	ZINC000158319886	326892055	/nfs/dbraw/zinc/89/20/55/326892055.db2.gz	VBXHMAZAJXEMJB-UHFFFAOYSA-N	-1	3	368.212	2.118	20	30		FEEDHM
C[C@@H](NC(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1)c1ccc(C#N)cc1	ZINC000162597322	327029460	/nfs/dbraw/zinc/02/94/60/327029460.db2.gz	KWMRIEPPIRILBB-ODXCJYRJSA-N	-1	3	362.389	2.104	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC[C@@H](O)c1ccccc1	ZINC000266371802	329216222	/nfs/dbraw/zinc/21/62/22/329216222.db2.gz	JAEMNFVRBPSLOY-GOSISDBHSA-N	-1	3	353.422	2.448	20	30		FEEDHM
CO[C@@H](C)c1nc(C[N-]S(=O)(=O)c2ccc(F)cc2C#N)cs1	ZINC000269764151	329546751	/nfs/dbraw/zinc/54/67/51/329546751.db2.gz	CRFDEHHTBYGZOY-VIFPVBQESA-N	-1	3	355.416	2.340	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCC[C@@H]2CCO)c(C(F)(F)F)c1	ZINC000275194146	330020709	/nfs/dbraw/zinc/02/07/09/330020709.db2.gz	PKFMRZFDDPRQNV-YPMHNXCESA-N	-1	3	362.373	2.406	20	30		FEEDHM
C#CCCCS(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)OC(C)(C)C	ZINC000805035430	674314210	/nfs/dbraw/zinc/31/42/10/674314210.db2.gz	KVHWBPINBCMGPE-INIZCTEOSA-N	-1	3	351.468	2.272	20	30		FEEDHM
N#Cc1ccc(NC(=O)C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)cc1Cl	ZINC000472994361	538729331	/nfs/dbraw/zinc/72/93/31/538729331.db2.gz	PJVDLGPOXFASKC-CYBMUJFWSA-N	-1	3	359.773	2.363	20	30		FEEDHM
CC(C)NC(=O)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(F)cc2C#N)C1	ZINC000157643410	545764801	/nfs/dbraw/zinc/76/48/01/545764801.db2.gz	DPWKZAYDSMKJAH-SWLSCSKDSA-N	-1	3	367.446	2.059	20	30		FEEDHM
N#CCCCS(=O)(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1	ZINC000161831735	546134006	/nfs/dbraw/zinc/13/40/06/546134006.db2.gz	AIMMCOJJBMYQPS-HNNXBMFYSA-N	-1	3	371.890	2.233	20	30		FEEDHM
COc1cccc(-c2noc([C@@H](C)[N-]S(=O)(=O)CCCCC#N)n2)c1	ZINC000174032930	546289682	/nfs/dbraw/zinc/28/96/82/546289682.db2.gz	PLYNOJLYSYAWRW-GFCCVEGCSA-N	-1	3	364.427	2.419	20	30		FEEDHM
N#Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ncnn2-c2ccccc2)c1	ZINC000480416519	561208710	/nfs/dbraw/zinc/20/87/10/561208710.db2.gz	ZMOBAUKMTXWEFT-UHFFFAOYSA-N	-1	3	373.825	2.271	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@@H](C#N)C1CCCCC1	ZINC000176612890	546467626	/nfs/dbraw/zinc/46/76/26/546467626.db2.gz	RMSVNQMSVNSPGP-WFASDCNBSA-N	-1	3	367.446	2.081	20	30		FEEDHM
COCCC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccnc1C#N	ZINC000480627111	561213356	/nfs/dbraw/zinc/21/33/56/561213356.db2.gz	RHPIJWKLXZRFBP-MRXNPFEDSA-N	-1	3	359.451	2.269	20	30		FEEDHM
N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CCCOCC(F)(F)F	ZINC000178509291	546805326	/nfs/dbraw/zinc/80/53/26/546805326.db2.gz	RPHVRIQNKHRVRT-UHFFFAOYSA-N	-1	3	356.753	2.459	20	30		FEEDHM
C#CCOCCC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1	ZINC000179022150	546887516	/nfs/dbraw/zinc/88/75/16/546887516.db2.gz	BRXCGNCCLWAEGN-UHFFFAOYSA-N	-1	3	364.829	2.263	20	30		FEEDHM
CC(C)(C)[C@H]([N-]S(=O)(=O)CCCC#N)C(=O)OCc1ccccc1	ZINC000180252553	547073639	/nfs/dbraw/zinc/07/36/39/547073639.db2.gz	RRZMIRAUHPWTHU-OAHLLOKOSA-N	-1	3	352.456	2.368	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]CCCOCC(F)(F)F)c(Cl)c1	ZINC000183481429	547668457	/nfs/dbraw/zinc/66/84/57/547668457.db2.gz	RSFPHVJKLXJLHI-UHFFFAOYSA-N	-1	3	356.753	2.459	20	30		FEEDHM
CCN(CC)C(=O)CCC[N-]S(=O)(=O)c1ccc(C#N)cc1Cl	ZINC000183502354	547672394	/nfs/dbraw/zinc/67/23/94/547672394.db2.gz	VWOMVDJLVCLYGU-UHFFFAOYSA-N	-1	3	357.863	2.139	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@]1(C#N)CCc2ccccc2C1	ZINC000183936881	547742265	/nfs/dbraw/zinc/74/22/65/547742265.db2.gz	NFINBWJUXRHRFZ-QFIPXVFZSA-N	-1	3	374.444	2.364	20	30		FEEDHM
CC[C@@H](CC#N)[N-]S(=O)(=O)c1ccc(CCNC(=O)CC(C)C)s1	ZINC000186425692	548133323	/nfs/dbraw/zinc/13/33/23/548133323.db2.gz	ROLBOOLEANHEDN-ZDUSSCGKSA-N	-1	3	371.528	2.423	20	30		FEEDHM
C[C@H](CC#N)[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1	ZINC000186808948	548197853	/nfs/dbraw/zinc/19/78/53/548197853.db2.gz	CRVSEHSIQAPGET-NEPJUHHUSA-N	-1	3	358.847	2.336	20	30		FEEDHM
CC[S@](=O)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(F)cc2C#N)C1	ZINC000246101858	549052398	/nfs/dbraw/zinc/05/23/98/549052398.db2.gz	MPASFQJQDJQOEP-SOHPYSCWSA-N	-1	3	358.460	2.055	20	30		FEEDHM
Cc1c(C(=O)[N-]c2ncn(Cc3ccc(C#N)cc3)n2)sc2nccn12	ZINC000490033813	561424838	/nfs/dbraw/zinc/42/48/38/561424838.db2.gz	VUVWWGOBELMRMK-UHFFFAOYSA-N	-1	3	363.406	2.468	20	30		FEEDHM
N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@@H]1CCN(c2ccccc2F)C1	ZINC000490463520	561433655	/nfs/dbraw/zinc/43/36/55/561433655.db2.gz	FYTGCWFUJWTUMM-CQSZACIVSA-N	-1	3	363.389	2.394	20	30		FEEDHM
CCOC(=O)C(CC)(CC)[N-]S(=O)(=O)Cc1ccc(C#N)cc1F	ZINC000490648697	561436718	/nfs/dbraw/zinc/43/67/18/561436718.db2.gz	VJWOIWRYTPSGAI-UHFFFAOYSA-N	-1	3	356.419	2.239	20	30		FEEDHM
COC(=O)[C@H](CC1CCCCC1)[N-]S(=O)(=O)c1ccc(F)cc1C#N	ZINC000494311470	561466956	/nfs/dbraw/zinc/46/69/56/561466956.db2.gz	MAGWPTWHIQOSIG-HNNXBMFYSA-N	-1	3	368.430	2.488	20	30		FEEDHM
CCN(CCC#N)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1	ZINC000272497906	550453462	/nfs/dbraw/zinc/45/34/62/550453462.db2.gz	VINAJWXSXYSKCX-UHFFFAOYSA-N	-1	3	354.407	2.034	20	30		FEEDHM
COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@@]2(C#N)CCC[C@H](C)C2)s1	ZINC000274754362	550552399	/nfs/dbraw/zinc/55/23/99/550552399.db2.gz	PCPHCTDBTHWNEO-BONVTDFDSA-N	-1	3	372.468	2.294	20	30		FEEDHM
Cc1cc(OS(=O)(=O)c2c[n-]c(C(=O)N3CCCC3)c2)ccc1C#N	ZINC000277482536	550676092	/nfs/dbraw/zinc/67/60/92/550676092.db2.gz	MNQNUEFQJNVUEC-UHFFFAOYSA-N	-1	3	359.407	2.199	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)nc1)c1nc(C(F)(F)F)cs1	ZINC000278405762	550782087	/nfs/dbraw/zinc/78/20/87/550782087.db2.gz	OLXORZLTZILDBN-SSDOTTSWSA-N	-1	3	362.358	2.468	20	30		FEEDHM
Cc1nc(Cn2cc(C(=O)[N-]c3ccccc3SCCC#N)nn2)no1	ZINC000278779788	550820941	/nfs/dbraw/zinc/82/09/41/550820941.db2.gz	UXJOHIQSCNYWDZ-UHFFFAOYSA-N	-1	3	369.410	2.276	20	30		FEEDHM
O=c1nc(C2CCN(CC#Cc3ccc(C(F)(F)F)cc3)CC2)[nH][n-]1	ZINC000280710754	551023860	/nfs/dbraw/zinc/02/38/60/551023860.db2.gz	BGOMJWWEWMFPTM-UHFFFAOYSA-N	-1	3	350.344	2.348	20	30		FEEDHM
C=CC[C@H](C)[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)N(C)C)c1OC	ZINC000284099154	551483334	/nfs/dbraw/zinc/48/33/34/551483334.db2.gz	BYFPJHWFGSNPQZ-JTQLQIEISA-N	-1	3	360.863	2.293	20	30		FEEDHM
COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@@](C)(C#N)CSC)c1	ZINC000284934872	551671376	/nfs/dbraw/zinc/67/13/76/551671376.db2.gz	ADXZJPHWBBKXMY-ZDUSSCGKSA-N	-1	3	362.860	2.050	20	30		FEEDHM
N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCO[C@@H]2c2cccnc2)c1	ZINC000285004805	551687792	/nfs/dbraw/zinc/68/77/92/551687792.db2.gz	LOVOHQZAALDJEX-GOEBONIOSA-N	-1	3	363.826	2.415	20	30		FEEDHM
CCn1cc(C[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)cn1	ZINC000285478260	551762612	/nfs/dbraw/zinc/76/26/12/551762612.db2.gz	CMLISNAIGNZXQV-UHFFFAOYSA-N	-1	3	358.345	2.272	20	30		FEEDHM
CCn1cc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)cn1	ZINC000285505809	551766780	/nfs/dbraw/zinc/76/67/80/551766780.db2.gz	FQOAUMCSYQHDLM-UHFFFAOYSA-N	-1	3	358.345	2.272	20	30		FEEDHM
CC(C)(C)[C@@H]1NC(=O)CC[C@H]1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl	ZINC000285620975	551784603	/nfs/dbraw/zinc/78/46/03/551784603.db2.gz	ZLCGGYVXEJAWIF-IUODEOHRSA-N	-1	3	369.874	2.183	20	30		FEEDHM
C[N-]S(=O)(=O)c1cc(NC(=O)NCC2CCC(C#N)CC2)ccc1F	ZINC000287010387	551951756	/nfs/dbraw/zinc/95/17/56/551951756.db2.gz	FSFYTFLBGYSFGJ-UHFFFAOYSA-N	-1	3	368.434	2.185	20	30		FEEDHM
COC[C@H]([N-]S(=O)(=O)c1cccc(Br)c1C#N)C1CC1	ZINC000287766325	552043812	/nfs/dbraw/zinc/04/38/12/552043812.db2.gz	JLYNGAJFUOLSGH-LBPRGKRZSA-N	-1	3	359.245	2.024	20	30		FEEDHM
C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2cccc(Br)c2C#N)CCO1	ZINC000287835629	552052803	/nfs/dbraw/zinc/05/28/03/552052803.db2.gz	NWRWEFKEDDXNQX-GHMZBOCLSA-N	-1	3	373.272	2.414	20	30		FEEDHM
C=C[C@H](CO)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Br	ZINC000290263056	552450348	/nfs/dbraw/zinc/45/03/48/552450348.db2.gz	STCZQSXVMSWZOC-MRVPVSSYSA-N	-1	3	374.178	2.293	20	30		FEEDHM
COc1cc(CN2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)ccc1C#N	ZINC000291519794	552633510	/nfs/dbraw/zinc/63/35/10/552633510.db2.gz	JADGUWSDJJUIFY-CYBMUJFWSA-N	-1	3	355.360	2.457	20	30		FEEDHM
CSc1ccc([C@H](C[N-]S(=O)(=O)c2ccc(C#N)o2)N(C)C)cc1	ZINC000293997618	552873809	/nfs/dbraw/zinc/87/38/09/552873809.db2.gz	FUMGFZNOQMLWPO-HNNXBMFYSA-N	-1	3	365.480	2.454	20	30		FEEDHM
N#C[C@@]1(C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)CC12CCCC2	ZINC000294752145	552931606	/nfs/dbraw/zinc/93/16/06/552931606.db2.gz	DFMAITBSWZKFTF-HXUWFJFHSA-N	-1	3	353.422	2.151	20	30		FEEDHM
C#CCO[C@H](C)C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1	ZINC000295829281	553065000	/nfs/dbraw/zinc/06/50/00/553065000.db2.gz	MKHDMYVZECOXSA-GFCCVEGCSA-N	-1	3	364.829	2.261	20	30		FEEDHM
C[N-]S(=O)(=O)c1cc(NC(=O)[C@]2(C#N)CC23CCCC3)ccc1F	ZINC000296031399	553092395	/nfs/dbraw/zinc/09/23/95/553092395.db2.gz	MLZDOOCYVPDGPJ-MRXNPFEDSA-N	-1	3	351.403	2.146	20	30		FEEDHM
C=CCN(CCC#N)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1	ZINC000297003322	553240899	/nfs/dbraw/zinc/24/08/99/553240899.db2.gz	UFDIBSNAZFQJJP-UHFFFAOYSA-N	-1	3	366.418	2.200	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-][C@H](CO)c2cccc(F)c2)c(Cl)c1	ZINC000503480914	561642418	/nfs/dbraw/zinc/64/24/18/561642418.db2.gz	ZEJYAYYEVNILSD-CQSZACIVSA-N	-1	3	354.790	2.363	20	30		FEEDHM
CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1	ZINC000298848622	553480394	/nfs/dbraw/zinc/48/03/94/553480394.db2.gz	KDKALUMKBYYRQU-ICFOKQHNSA-N	-1	3	373.500	2.041	20	30		FEEDHM
CCOC(=O)[C@H]1CCCCN1C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C	ZINC000299663909	553599385	/nfs/dbraw/zinc/59/93/85/553599385.db2.gz	NRYDWZOTFDEVOI-MRXNPFEDSA-N	-1	3	359.426	2.153	20	30		FEEDHM
C[C@@H](CC#N)N(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1	ZINC000505140942	561666720	/nfs/dbraw/zinc/66/67/20/561666720.db2.gz	FTIQQDFLMOGPOO-NSHDSACASA-N	-1	3	364.402	2.329	20	30		FEEDHM
O=C(Nc1ccc([N-]S(=O)(=O)C[C@@H]2CCCCO2)cc1)NC1CC1	ZINC000329495149	553957782	/nfs/dbraw/zinc/95/77/82/553957782.db2.gz	FOAYLBLSHNNYMY-HNNXBMFYSA-N	-1	3	353.444	2.486	20	30		FEEDHM
O=C(NCC1(N2CCOCC2)CCCCC1)c1cc(F)cc2nn[n-]c21	ZINC000330305730	554102888	/nfs/dbraw/zinc/10/28/88/554102888.db2.gz	QXIDKJFLLFZGEE-UHFFFAOYSA-N	-1	3	361.421	2.437	20	30		FEEDHM
O=C(NCC1(N2CCOCC2)CCCCC1)c1cc(F)cc2[n-]nnc21	ZINC000330305730	554102889	/nfs/dbraw/zinc/10/28/89/554102889.db2.gz	QXIDKJFLLFZGEE-UHFFFAOYSA-N	-1	3	361.421	2.437	20	30		FEEDHM
O=C(NCC1(N2CCOCC2)CCCCC1)c1cc(F)cc2n[n-]nc21	ZINC000330305730	554102890	/nfs/dbraw/zinc/10/28/90/554102890.db2.gz	QXIDKJFLLFZGEE-UHFFFAOYSA-N	-1	3	361.421	2.437	20	30		FEEDHM
O=C(C[C@@H]1NC(=O)[N-]C1=O)NC[C@@H]1CCc2nc(C(F)(F)F)cn2C1	ZINC000330328550	554106008	/nfs/dbraw/zinc/10/60/08/554106008.db2.gz	LUFFSZGBHDZKPO-YUMQZZPRSA-N	-1	3	359.308	2.064	20	30		FEEDHM
COc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@@H](C#N)C(C)C	ZINC000330904765	554186298	/nfs/dbraw/zinc/18/62/98/554186298.db2.gz	CXVBAGHATMIKQG-JTQLQIEISA-N	-1	3	365.224	2.423	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)C(=O)N1CCCC[C@H]1C	ZINC000331261256	554237872	/nfs/dbraw/zinc/23/78/72/554237872.db2.gz	CDEPRYUNWSADIS-VXGBXAGGSA-N	-1	3	369.874	2.279	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-][C@@H](Cc2nnc[nH]2)c2ccccc2)s1	ZINC000509784414	561813918	/nfs/dbraw/zinc/81/39/18/561813918.db2.gz	XMKQONXITITIPH-ZDUSSCGKSA-N	-1	3	359.436	2.000	20	30		FEEDHM
CC[C@@H](C)[C@@H]([N-]S(C)(=O)=O)C(=O)Nc1cccc(OCCCC#N)c1	ZINC000510395860	561833485	/nfs/dbraw/zinc/83/34/85/561833485.db2.gz	JVEHHCQIRQZVIL-CZUORRHYSA-N	-1	3	367.471	2.272	20	30		FEEDHM
Cn1cc(C#N)c(=NC(=O)N(Cc2ccccc2)C2CCN(C)CC2)[n-]1	ZINC000610634592	554542267	/nfs/dbraw/zinc/54/22/67/554542267.db2.gz	PSLSTXOSYFNQTI-UHFFFAOYSA-N	-1	3	352.442	2.420	20	30		FEEDHM
COCC1(c2noc(CCc3c(C)[n-]c(=O)c(C#N)c3C)n2)CCOCC1	ZINC000349714957	554739278	/nfs/dbraw/zinc/73/92/78/554739278.db2.gz	RQBBEDSUDWUANQ-UHFFFAOYSA-N	-1	3	372.425	2.139	20	30		FEEDHM
N#CCc1ccc(C(=O)NC2CCN(C(=O)c3cccc([O-])c3)CC2)cc1	ZINC000363163387	555043624	/nfs/dbraw/zinc/04/36/24/555043624.db2.gz	WNQPTTKFBVVVSS-UHFFFAOYSA-N	-1	3	363.417	2.493	20	30		FEEDHM
CCc1ccc(C(=O)N2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)c([O-])c1	ZINC000364383228	555303498	/nfs/dbraw/zinc/30/34/98/555303498.db2.gz	ICFNBGYNAOUSLD-SPLOXXLWSA-N	-1	3	361.401	2.440	20	30		FEEDHM
CN1CC[C@@H]([N-]S(=O)(=O)c2ccc(C#N)s2)[C@@H]1c1ccc(F)cc1	ZINC000366622348	555892743	/nfs/dbraw/zinc/89/27/43/555892743.db2.gz	NGRFDQDNYNTYBS-ZBFHGGJFSA-N	-1	3	365.455	2.483	20	30		FEEDHM
CN1CC[C@H]([N-]S(=O)(=O)c2ccc(C#N)s2)[C@@H]1c1ccc(F)cc1	ZINC000366622347	555893031	/nfs/dbraw/zinc/89/30/31/555893031.db2.gz	NGRFDQDNYNTYBS-HOCLYGCPSA-N	-1	3	365.455	2.483	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]C[C@@H](CO)c2ccccc2Cl)c(F)c1	ZINC000514959209	561988926	/nfs/dbraw/zinc/98/89/26/561988926.db2.gz	QIZKSUAXFDWDJB-LBPRGKRZSA-N	-1	3	368.817	2.405	20	30		FEEDHM
N#Cc1ccc(N2CCC(NC(=O)c3cc(=O)c4ccccc4[n-]3)CC2)nc1	ZINC000368923020	556449223	/nfs/dbraw/zinc/44/92/23/556449223.db2.gz	FRZBPSSPFZFDKY-UHFFFAOYSA-N	-1	3	373.416	2.194	20	30		FEEDHM
CC(C)CC(=O)NCCc1ccc(S(=O)(=O)[N-]CC2(C#N)CC2)s1	ZINC000515744905	562020884	/nfs/dbraw/zinc/02/08/84/562020884.db2.gz	KMPHDTWGNCFUTE-UHFFFAOYSA-N	-1	3	369.512	2.035	20	30		FEEDHM
COc1cc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)ccc1C#N	ZINC000516217752	562036502	/nfs/dbraw/zinc/03/65/02/562036502.db2.gz	QEBTXVHCTUUALZ-UHFFFAOYSA-N	-1	3	353.381	2.015	20	30		FEEDHM
C=CCN1CC[C@@H](N(C)c2ccc(-c3nc(CC)cc(=O)[n-]3)cn2)C1=O	ZINC000370305312	556835150	/nfs/dbraw/zinc/83/51/50/556835150.db2.gz	IUAKFEGWOAIMNP-OAHLLOKOSA-N	-1	3	353.426	2.030	20	30		FEEDHM
N#Cc1cccc(CS(=O)(=O)[N-]Cc2noc(-c3cccc(F)c3)n2)c1	ZINC000370467650	556881740	/nfs/dbraw/zinc/88/17/40/556881740.db2.gz	DKNAXXUNFQYRFK-UHFFFAOYSA-N	-1	3	372.381	2.367	20	30		FEEDHM
Cc1nnc([C@@H]([N-]S(=O)(=O)c2ccc(C#N)s2)c2ccccc2)n1C	ZINC000373819309	557766449	/nfs/dbraw/zinc/76/64/49/557766449.db2.gz	KMIANJBZLNQLKL-HNNXBMFYSA-N	-1	3	373.463	2.125	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H](n2cccn2)C1	ZINC000373982173	557800700	/nfs/dbraw/zinc/80/07/00/557800700.db2.gz	INIFCORJMIQSQF-HNNXBMFYSA-N	-1	3	353.426	2.269	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)N(C)[C@@H](C)CC#N)c1nc(-c2ccc(F)cc2)no1	ZINC000374547907	557897838	/nfs/dbraw/zinc/89/78/38/557897838.db2.gz	DUQHODRIHVRLHQ-WDEREUQCSA-N	-1	3	367.406	2.005	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)N(C)[C@H](C)CC#N)c1nc(-c2ccc(F)cc2)no1	ZINC000374547904	557897884	/nfs/dbraw/zinc/89/78/84/557897884.db2.gz	DUQHODRIHVRLHQ-GHMZBOCLSA-N	-1	3	367.406	2.005	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC([C@@H]2CCOC2)CC1	ZINC000374945040	557954967	/nfs/dbraw/zinc/95/49/67/557954967.db2.gz	JEXCTOSUTGIYFN-MRXNPFEDSA-N	-1	3	357.454	2.483	20	30		FEEDHM
N#Cc1ccc(CCC(=O)N2CC(S(=O)(=O)[N-]c3ccccc3)C2)cc1	ZINC000378630685	558597639	/nfs/dbraw/zinc/59/76/39/558597639.db2.gz	XNHOHUSJLRLHGE-UHFFFAOYSA-N	-1	3	369.446	2.144	20	30		FEEDHM
C[C@@]1(C[N-]S(=O)(=O)c2cccnc2C#N)CCCN1Cc1ccccc1	ZINC000398114420	558626372	/nfs/dbraw/zinc/62/63/72/558626372.db2.gz	TYOWRQPIMNOTTM-IBGZPJMESA-N	-1	3	370.478	2.286	20	30		FEEDHM
CCOC(=O)[C@H](CCC(C)(C)C)[N-]S(=O)(=O)N(CC)C[C@@H](C)C#N	ZINC000409494332	558697199	/nfs/dbraw/zinc/69/71/99/558697199.db2.gz	DIIAMPZTBZGEPH-KBPBESRZSA-N	-1	3	361.508	2.060	20	30		FEEDHM
N#CC1CCC(CNC(=O)C(=O)[N-]c2nccn2-c2ccccc2)CC1	ZINC000411493621	558904609	/nfs/dbraw/zinc/90/46/09/558904609.db2.gz	FSDYUOBFKVMHSD-UHFFFAOYSA-N	-1	3	351.410	2.257	20	30		FEEDHM
N#Cc1cccc(NC(=O)C2CCN(C(=O)c3cccc4[n-]nnc43)CC2)c1	ZINC000525864162	562257604	/nfs/dbraw/zinc/25/76/04/562257604.db2.gz	AEONAIPYCNAGFK-UHFFFAOYSA-N	-1	3	374.404	2.320	20	30		FEEDHM
N#Cc1cccc(NC(=O)C2CCN(C(=O)c3cccc4nn[n-]c43)CC2)c1	ZINC000525864162	562257605	/nfs/dbraw/zinc/25/76/05/562257605.db2.gz	AEONAIPYCNAGFK-UHFFFAOYSA-N	-1	3	374.404	2.320	20	30		FEEDHM
N#Cc1cccc(NC(=O)C2CCN(C(=O)c3cccc4n[n-]nc43)CC2)c1	ZINC000525864162	562257606	/nfs/dbraw/zinc/25/76/06/562257606.db2.gz	AEONAIPYCNAGFK-UHFFFAOYSA-N	-1	3	374.404	2.320	20	30		FEEDHM
COc1cc(OCCN(C)C)ccc1NC(=O)c1ccc(C#N)c([O-])c1	ZINC000412582509	559044772	/nfs/dbraw/zinc/04/47/72/559044772.db2.gz	VIHYEJNWGFYEOZ-UHFFFAOYSA-N	-1	3	355.394	2.465	20	30		FEEDHM
CC[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1C#N)[C@@H](O)CC	ZINC000416497384	559317760	/nfs/dbraw/zinc/31/77/60/559317760.db2.gz	SUAOGEMVEXOSCO-NEPJUHHUSA-N	-1	3	361.261	2.149	20	30		FEEDHM
C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Br)ccc2C#N)CCO1	ZINC000416454931	559314193	/nfs/dbraw/zinc/31/41/93/559314193.db2.gz	TZDXQXLSPXMACS-SKDRFNHKSA-N	-1	3	359.245	2.167	20	30		FEEDHM
CC(C)(C#N)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000416457041	559314331	/nfs/dbraw/zinc/31/43/31/559314331.db2.gz	NJCJNZNOEMQPOJ-UHFFFAOYSA-N	-1	3	351.306	2.442	20	30		FEEDHM
CCC[C@H](C[N-]S(=O)(=O)c1cc(Br)ccc1C#N)OC	ZINC000416491554	559317188	/nfs/dbraw/zinc/31/71/88/559317188.db2.gz	YGDZLLURMYUOQD-GFCCVEGCSA-N	-1	3	361.261	2.414	20	30		FEEDHM
CC(C)(C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C1(O)CCOCC1	ZINC000416653337	559327798	/nfs/dbraw/zinc/32/77/98/559327798.db2.gz	GAABHVPGPSXZJQ-UHFFFAOYSA-N	-1	3	372.874	2.058	20	30		FEEDHM
CSC[C@](C)(C#N)[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F	ZINC000421254188	559533766	/nfs/dbraw/zinc/53/37/66/559533766.db2.gz	ZBYUMLNGFDGHGL-LBPRGKRZSA-N	-1	3	354.375	2.351	20	30		FEEDHM
C[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)c(C)o1	ZINC000425137389	559688344	/nfs/dbraw/zinc/68/83/44/559688344.db2.gz	XPOADDQCFGSYFN-NSHDSACASA-N	-1	3	361.423	2.201	20	30		FEEDHM
Cc1ncc(S(=O)(=O)[N-]c2cc3c(cc2F)NC(=O)CC3)cc1C#N	ZINC000427345587	559753919	/nfs/dbraw/zinc/75/39/19/559753919.db2.gz	GBBBEQBHSBYUMZ-UHFFFAOYSA-N	-1	3	360.370	2.086	20	30		FEEDHM
C[C@H](Cc1nc2ccccc2s1)[N-]S(=O)(=O)c1cccnc1C#N	ZINC000428401122	559774718	/nfs/dbraw/zinc/77/47/18/559774718.db2.gz	PAJLTOUARATHOX-LLVKDONJSA-N	-1	3	358.448	2.472	20	30		FEEDHM
Cc1cc[nH]c2nc(C(C#N)=C([O-])c3c[nH]c(C(=O)N4CCCC4)c3)nc1-2	ZINC000429599067	559802175	/nfs/dbraw/zinc/80/21/75/559802175.db2.gz	QXPCMBVNGPOXBA-ZDUSSCGKSA-N	-1	3	362.393	2.321	20	30		FEEDHM
COc1ccncc1C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N	ZINC000431578592	559841874	/nfs/dbraw/zinc/84/18/74/559841874.db2.gz	MTVRMWIMGXJPGR-UHFFFAOYSA-N	-1	3	371.340	2.459	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)c1cccc(C#N)c1)c1ncc(Br)cn1	ZINC000431630621	559843000	/nfs/dbraw/zinc/84/30/00/559843000.db2.gz	MIFLNNIKFVTATI-SECBINFHSA-N	-1	3	367.228	2.150	20	30		FEEDHM
CCC[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N)C(=O)OCC	ZINC000433472832	559882579	/nfs/dbraw/zinc/88/25/79/559882579.db2.gz	XUYNELGEPKIJKY-LLVKDONJSA-N	-1	3	358.847	2.469	20	30		FEEDHM
C=C(C)CS(=O)(=O)[N-][C@H]1CCN(c2ccccc2C(F)(F)F)C1=O	ZINC000435434107	559922876	/nfs/dbraw/zinc/92/28/76/559922876.db2.gz	QNEXFVSVCXMKRL-LBPRGKRZSA-N	-1	3	362.373	2.306	20	30		FEEDHM
CC[C@@H](C)[C@@H]([N-]S(C)(=O)=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1	ZINC000435443538	559923358	/nfs/dbraw/zinc/92/33/58/559923358.db2.gz	QUWCZOMYRONCBD-MLGOLLRUSA-N	-1	3	367.471	2.248	20	30		FEEDHM
Cc1ccc(C(=O)NCCC(=O)NCC#Cc2cccc(F)c2)c([O-])c1	ZINC000436658689	559947956	/nfs/dbraw/zinc/94/79/56/559947956.db2.gz	WAFFXDPRKSREQJ-UHFFFAOYSA-N	-1	3	354.381	2.128	20	30		FEEDHM
COc1c(C)cnc(Cn2cnc([N-]C(=O)c3cc(C#N)oc3C)n2)c1C	ZINC000437199856	559961763	/nfs/dbraw/zinc/96/17/63/559961763.db2.gz	SBUHCWCWQKMQKL-UHFFFAOYSA-N	-1	3	366.381	2.372	20	30		FEEDHM
COC(=O)c1nscc1S(=O)(=O)[N-][C@H](CCC#N)c1ccccc1	ZINC000443383276	560082632	/nfs/dbraw/zinc/08/26/32/560082632.db2.gz	GRQXLGJFYMEVJM-GFCCVEGCSA-N	-1	3	365.436	2.253	20	30		FEEDHM
N#Cc1ccc(CC(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)cn1	ZINC000527729263	562301848	/nfs/dbraw/zinc/30/18/48/562301848.db2.gz	MROUWFUKBFLPKK-UHFFFAOYSA-N	-1	3	364.405	2.079	20	30		FEEDHM
CCc1[n-][nH]c(=NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)c1C	ZINC000449849592	560242679	/nfs/dbraw/zinc/24/26/79/560242679.db2.gz	JXQSGIHMLXNERJ-GFCCVEGCSA-N	-1	3	371.828	2.797	20	30		FEEDHM
COC(=O)[C@H]([N-]S(=O)(=O)CC1(CC#N)CC1)c1ccc(C)c(C)c1	ZINC000451402720	560304611	/nfs/dbraw/zinc/30/46/11/560304611.db2.gz	JUXSSEYQZKYDPP-OAHLLOKOSA-N	-1	3	350.440	2.131	20	30		FEEDHM
C=C(CC)C[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)N(C)C)c1OC	ZINC000452046100	560347738	/nfs/dbraw/zinc/34/77/38/560347738.db2.gz	VFEHQUGJINNQPQ-UHFFFAOYSA-N	-1	3	360.863	2.295	20	30		FEEDHM
C=CCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])C(=O)OCC	ZINC000456610257	560525688	/nfs/dbraw/zinc/52/56/88/560525688.db2.gz	PLFYZORXIZPWLI-HOTGVXAUSA-N	-1	3	374.437	2.011	20	30		FEEDHM
N#Cc1ccc(CNC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cc1F	ZINC000456829663	560534033	/nfs/dbraw/zinc/53/40/33/560534033.db2.gz	FFEQTBSRCVWUTM-QGZVFWFLSA-N	-1	3	367.380	2.324	20	30		FEEDHM
Cc1ccc(-c2cc(C(=O)Nc3nn(-c4ccc(C#N)cn4)cc3C)n[n-]2)o1	ZINC000461754873	560781795	/nfs/dbraw/zinc/78/17/95/560781795.db2.gz	JLKPYEPOKAZSOB-UHFFFAOYSA-N	-1	3	373.376	2.991	20	30		FEEDHM
Cc1ccc(-c2cc(C(=O)Nc3nn(-c4ccc(C#N)cn4)cc3C)[n-]n2)o1	ZINC000461754873	560781796	/nfs/dbraw/zinc/78/17/96/560781796.db2.gz	JLKPYEPOKAZSOB-UHFFFAOYSA-N	-1	3	373.376	2.991	20	30		FEEDHM
CO[C@@H](CC[N-]S(=O)(=O)c1cccc(Cl)c1C#N)C(F)(F)F	ZINC000468941090	560942901	/nfs/dbraw/zinc/94/29/01/560942901.db2.gz	KSMNTSJTQQGFGO-NSHDSACASA-N	-1	3	356.753	2.457	20	30		FEEDHM
C[C@H](C#N)CN(C)C(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1	ZINC000471854874	561013096	/nfs/dbraw/zinc/01/30/96/561013096.db2.gz	DCDKONGWNKCNHV-SECBINFHSA-N	-1	3	363.361	2.309	20	30		FEEDHM
COCc1nc(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)n[n-]1	ZINC000474399481	561073204	/nfs/dbraw/zinc/07/32/04/561073204.db2.gz	KDHHZVIPBUDPQY-MRVPVSSYSA-N	-1	3	363.468	2.492	20	30		FEEDHM
COc1ccccc1C(=O)C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl	ZINC000476207833	561113147	/nfs/dbraw/zinc/11/31/47/561113147.db2.gz	WTMDZDOBRAHJBC-UHFFFAOYSA-N	-1	3	364.810	2.381	20	30		FEEDHM
CC[S@](=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2F)C1	ZINC000531408660	562444948	/nfs/dbraw/zinc/44/49/48/562444948.db2.gz	LIHQOXKIDNRRGX-MZFXBISCSA-N	-1	3	358.460	2.055	20	30		FEEDHM
C=CCOCC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1	ZINC000532837337	562490237	/nfs/dbraw/zinc/49/02/37/562490237.db2.gz	NFIGEFFQQLYYFJ-UHFFFAOYSA-N	-1	3	352.818	2.425	20	30		FEEDHM
Cc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)c([O-])c1	ZINC000534601701	562538093	/nfs/dbraw/zinc/53/80/93/562538093.db2.gz	SZHPHZWYLLUMRH-UHFFFAOYSA-N	-1	3	359.407	2.063	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1C#N)[C@@H]1CCCOC1	ZINC000569604097	568409674	/nfs/dbraw/zinc/40/96/74/568409674.db2.gz	XZFIWUPOMAOTGT-GHMZBOCLSA-N	-1	3	373.272	2.414	20	30		FEEDHM
Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1Cc1cc(C#N)ccc1F	ZINC000737523748	598826500	/nfs/dbraw/zinc/82/65/00/598826500.db2.gz	IJWQTIROJAIABU-UHFFFAOYSA-N	-1	3	360.356	2.493	20	30		FEEDHM
Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1Cc1cc(C#N)ccc1F	ZINC000737523748	598826502	/nfs/dbraw/zinc/82/65/02/598826502.db2.gz	IJWQTIROJAIABU-UHFFFAOYSA-N	-1	3	360.356	2.493	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2ccc(C(F)(F)F)nc2)cc1-c1nnn[n-]1	ZINC000737717938	598917830	/nfs/dbraw/zinc/91/78/30/598917830.db2.gz	CLLWKIRIZPSQEN-UHFFFAOYSA-N	-1	3	359.271	2.404	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2ccc(C(F)(F)F)nc2)cc1-c1nn[n-]n1	ZINC000737717938	598917833	/nfs/dbraw/zinc/91/78/33/598917833.db2.gz	CLLWKIRIZPSQEN-UHFFFAOYSA-N	-1	3	359.271	2.404	20	30		FEEDHM
N#Cc1ccc(NC(=O)CCOc2ccc(F)cc2)cc1-c1nnn[n-]1	ZINC000737715903	598925753	/nfs/dbraw/zinc/92/57/53/598925753.db2.gz	HPQLRRUZLAXEDZ-UHFFFAOYSA-N	-1	3	352.329	2.285	20	30		FEEDHM
N#Cc1ccc(NC(=O)CCOc2ccc(F)cc2)cc1-c1nn[n-]n1	ZINC000737715903	598925755	/nfs/dbraw/zinc/92/57/55/598925755.db2.gz	HPQLRRUZLAXEDZ-UHFFFAOYSA-N	-1	3	352.329	2.285	20	30		FEEDHM
COc1cc2c(cc1C=NNCc1ccc(-c3nnn[n-]3)cc1)O[C@@H](C)C2	ZINC000821728650	607253261	/nfs/dbraw/zinc/25/32/61/607253261.db2.gz	XYKDTBZJENMFGR-LBPRGKRZSA-N	-1	3	364.409	2.322	20	30		FEEDHM
COc1cc2c(cc1C=NNCc1ccc(-c3nn[n-]n3)cc1)O[C@@H](C)C2	ZINC000821728650	607253262	/nfs/dbraw/zinc/25/32/62/607253262.db2.gz	XYKDTBZJENMFGR-LBPRGKRZSA-N	-1	3	364.409	2.322	20	30		FEEDHM
C#CCOc1cccc(OCCOc2ccc(-c3nnn[n-]3)cc2OC)c1	ZINC000735387586	598978906	/nfs/dbraw/zinc/97/89/06/598978906.db2.gz	AMVXXWCIGJDMAC-UHFFFAOYSA-N	-1	3	366.377	2.345	20	30		FEEDHM
C#CCOc1cccc(OCCOc2ccc(-c3nn[n-]n3)cc2OC)c1	ZINC000735387586	598978908	/nfs/dbraw/zinc/97/89/08/598978908.db2.gz	AMVXXWCIGJDMAC-UHFFFAOYSA-N	-1	3	366.377	2.345	20	30		FEEDHM
Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)Oc1ccc(CC#N)cc1	ZINC000737226133	598996834	/nfs/dbraw/zinc/99/68/34/598996834.db2.gz	QNOYKGMSCYKJNG-UHFFFAOYSA-N	-1	3	355.379	2.009	20	30		FEEDHM
Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)Oc1ccc(CC#N)cc1	ZINC000737226133	598996836	/nfs/dbraw/zinc/99/68/36/598996836.db2.gz	QNOYKGMSCYKJNG-UHFFFAOYSA-N	-1	3	355.379	2.009	20	30		FEEDHM
O=C1C(=Cc2cnc(N3CCCC3)nc2)CCc2cc(-c3nnn[n-]3)ccc21	ZINC000823504076	599114165	/nfs/dbraw/zinc/11/41/65/599114165.db2.gz	LPESITNQKFBEHY-DHDCSXOGSA-N	-1	3	373.420	2.469	20	30		FEEDHM
O=C1C(=Cc2cnc(N3CCCC3)nc2)CCc2cc(-c3nn[n-]n3)ccc21	ZINC000823504076	599114167	/nfs/dbraw/zinc/11/41/67/599114167.db2.gz	LPESITNQKFBEHY-DHDCSXOGSA-N	-1	3	373.420	2.469	20	30		FEEDHM
O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1ccc2c(c1)COC2	ZINC000822935433	599112666	/nfs/dbraw/zinc/11/26/66/599112666.db2.gz	KXLKOPDTKHIOOF-PLNGDYQASA-N	-1	3	358.361	2.441	20	30		FEEDHM
O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1ccc2c(c1)COC2	ZINC000822935433	599112669	/nfs/dbraw/zinc/11/26/69/599112669.db2.gz	KXLKOPDTKHIOOF-PLNGDYQASA-N	-1	3	358.361	2.441	20	30		FEEDHM
N#Cc1ccc(NC(=O)[C@@H]2C[C@@]23CCOc2ccccc23)cc1-c1nnn[n-]1	ZINC000737716474	599192817	/nfs/dbraw/zinc/19/28/17/599192817.db2.gz	QZZVDHLGIQUWLT-OXJNMPFZSA-N	-1	3	372.388	2.417	20	30		FEEDHM
N#Cc1ccc(NC(=O)[C@@H]2C[C@@]23CCOc2ccccc23)cc1-c1nn[n-]n1	ZINC000737716474	599192821	/nfs/dbraw/zinc/19/28/21/599192821.db2.gz	QZZVDHLGIQUWLT-OXJNMPFZSA-N	-1	3	372.388	2.417	20	30		FEEDHM
N#Cc1cc(NC(=O)c2cncn2-c2ccccc2)ccc1-c1nnn[n-]1	ZINC000737708822	599196047	/nfs/dbraw/zinc/19/60/47/599196047.db2.gz	HDWSRLSZFRPPPF-UHFFFAOYSA-N	-1	3	356.349	2.176	20	30		FEEDHM
N#Cc1cc(NC(=O)c2cncn2-c2ccccc2)ccc1-c1nn[n-]n1	ZINC000737708822	599196049	/nfs/dbraw/zinc/19/60/49/599196049.db2.gz	HDWSRLSZFRPPPF-UHFFFAOYSA-N	-1	3	356.349	2.176	20	30		FEEDHM
COCCOc1ccc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1	ZINC000737010692	599199935	/nfs/dbraw/zinc/19/99/35/599199935.db2.gz	GLKUNPABQJIONK-UHFFFAOYSA-N	-1	3	364.365	2.016	20	30		FEEDHM
COCCOc1ccc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1	ZINC000737010692	599199936	/nfs/dbraw/zinc/19/99/36/599199936.db2.gz	GLKUNPABQJIONK-UHFFFAOYSA-N	-1	3	364.365	2.016	20	30		FEEDHM
N#CCCn1ccc(NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)n1	ZINC000737693609	599247111	/nfs/dbraw/zinc/24/71/11/599247111.db2.gz	HCLUIIXGZGDGRE-UHFFFAOYSA-N	-1	3	373.833	2.439	20	30		FEEDHM
N#CCCn1ccc(NC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)n1	ZINC000737693609	599247113	/nfs/dbraw/zinc/24/71/13/599247113.db2.gz	HCLUIIXGZGDGRE-UHFFFAOYSA-N	-1	3	373.833	2.439	20	30		FEEDHM
N#CCCN(Cc1ccco1)C(=O)c1ncc(-c2nnn[n-]2)cc1Cl	ZINC000822811009	607299904	/nfs/dbraw/zinc/29/99/04/607299904.db2.gz	QPUJNNZPGAVRSQ-UHFFFAOYSA-N	-1	3	357.761	2.064	20	30		FEEDHM
N#CCCN(Cc1ccco1)C(=O)c1ncc(-c2nn[n-]n2)cc1Cl	ZINC000822811009	607299905	/nfs/dbraw/zinc/29/99/05/607299905.db2.gz	QPUJNNZPGAVRSQ-UHFFFAOYSA-N	-1	3	357.761	2.064	20	30		FEEDHM
CCC(CC)CN(CCC#N)C(=O)COc1ccc(-c2nn[n-]n2)cc1	ZINC000736337983	598239329	/nfs/dbraw/zinc/23/93/29/598239329.db2.gz	NHDFZZKXDDPTRL-UHFFFAOYSA-N	-1	3	356.430	2.424	20	30		FEEDHM
C[C@H](NC(=O)NCc1ccc(C#N)cc1F)c1ccc(-c2nnn[n-]2)cc1	ZINC000736119895	598318584	/nfs/dbraw/zinc/31/85/84/598318584.db2.gz	WMSSMBJBAIFETR-NSHDSACASA-N	-1	3	365.372	2.438	20	30		FEEDHM
C[C@H](NC(=O)NCc1ccc(C#N)cc1F)c1ccc(-c2nn[n-]n2)cc1	ZINC000736119895	598318586	/nfs/dbraw/zinc/31/85/86/598318586.db2.gz	WMSSMBJBAIFETR-NSHDSACASA-N	-1	3	365.372	2.438	20	30		FEEDHM
N#C[C@H](NC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1)C1CC1	ZINC000737674269	598536972	/nfs/dbraw/zinc/53/69/72/598536972.db2.gz	HZVFAXVUEUSZGG-SFHVURJKSA-N	-1	3	374.404	2.478	20	30		FEEDHM
N#C[C@H](NC(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1)C1CC1	ZINC000737674269	598536974	/nfs/dbraw/zinc/53/69/74/598536974.db2.gz	HZVFAXVUEUSZGG-SFHVURJKSA-N	-1	3	374.404	2.478	20	30		FEEDHM
C=CCN(c1ccccc1)S(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1	ZINC000735426791	598686443	/nfs/dbraw/zinc/68/64/43/598686443.db2.gz	WYJWNNJMYWGGEF-UHFFFAOYSA-N	-1	3	359.386	2.387	20	30		FEEDHM
N#Cc1ccc(-n2nccc2NC(=O)Cc2ccc(-c3nnn[n-]3)cc2)cc1	ZINC000737708378	598806369	/nfs/dbraw/zinc/80/63/69/598806369.db2.gz	CWAMHXLOXYQKHY-UHFFFAOYSA-N	-1	3	370.376	2.105	20	30		FEEDHM
N#Cc1ccc(-n2nccc2NC(=O)Cc2ccc(-c3nn[n-]n3)cc2)cc1	ZINC000737708378	598806370	/nfs/dbraw/zinc/80/63/70/598806370.db2.gz	CWAMHXLOXYQKHY-UHFFFAOYSA-N	-1	3	370.376	2.105	20	30		FEEDHM
Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N[C@H](C)c1cccc(C#N)c1	ZINC000822151254	599323841	/nfs/dbraw/zinc/32/38/41/599323841.db2.gz	AGQMVACYJXBMTC-GFCCVEGCSA-N	-1	3	368.422	2.086	20	30		FEEDHM
Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N[C@H](C)c1cccc(C#N)c1	ZINC000822151254	599323844	/nfs/dbraw/zinc/32/38/44/599323844.db2.gz	AGQMVACYJXBMTC-GFCCVEGCSA-N	-1	3	368.422	2.086	20	30		FEEDHM
C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1	ZINC000820537024	599527315	/nfs/dbraw/zinc/52/73/15/599527315.db2.gz	ZYNZDSAUEFRERN-STQMWFEESA-N	-1	3	362.393	2.383	20	30		FEEDHM
C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1	ZINC000820537024	599527318	/nfs/dbraw/zinc/52/73/18/599527318.db2.gz	ZYNZDSAUEFRERN-STQMWFEESA-N	-1	3	362.393	2.383	20	30		FEEDHM
C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NC1(c2cccc(C#N)c2)CC1	ZINC000824744361	607420491	/nfs/dbraw/zinc/42/04/91/607420491.db2.gz	APUWIIVSXZYGBE-CYBMUJFWSA-N	-1	3	374.404	2.311	20	30		FEEDHM
C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NC1(c2cccc(C#N)c2)CC1	ZINC000824744361	607420493	/nfs/dbraw/zinc/42/04/93/607420493.db2.gz	APUWIIVSXZYGBE-CYBMUJFWSA-N	-1	3	374.404	2.311	20	30		FEEDHM
O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1cn(-c2ccccc2)nn1	ZINC000822922271	607460306	/nfs/dbraw/zinc/46/03/06/607460306.db2.gz	FBSFIHSMABHIAJ-HJWRWDBZSA-N	-1	3	361.340	2.483	20	30		FEEDHM
O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1cn(-c2ccccc2)nn1	ZINC000822922271	607460308	/nfs/dbraw/zinc/46/03/08/607460308.db2.gz	FBSFIHSMABHIAJ-HJWRWDBZSA-N	-1	3	361.340	2.483	20	30		FEEDHM
CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1	ZINC000830608891	600914067	/nfs/dbraw/zinc/91/40/67/600914067.db2.gz	JUOUSTDXISCMJC-MSOLQXFVSA-N	-1	3	357.454	2.339	20	30		FEEDHM
N#Cc1ccc(OC2CCN(Cc3ccnc(-c4nnn[n-]4)c3)CC2)cc1	ZINC000826385790	607496020	/nfs/dbraw/zinc/49/60/20/607496020.db2.gz	AMJVMJWTIMTSHN-UHFFFAOYSA-N	-1	3	361.409	2.177	20	30		FEEDHM
COc1ccc(NC(=O)C(C#N)C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)cc1OC	ZINC000832389070	601236505	/nfs/dbraw/zinc/23/65/05/601236505.db2.gz	PNSACHPGKKQFQM-SGMGOOAPSA-N	-1	3	374.393	2.242	20	30		FEEDHM
C[C@@H]1CCCC[C@]1(CNC(=O)[O-])NCC(=O)Nc1sccc1C#N	ZINC000739098155	602432799	/nfs/dbraw/zinc/43/27/99/602432799.db2.gz	HSLPFOLICXAFKX-BDJLRTHQSA-N	-1	3	350.444	2.364	20	30		FEEDHM
C=C(C)CN1CCC(NC(=O)N2CCC(CN(C)C(=O)[O-])CC2)CC1	ZINC000738485770	602680071	/nfs/dbraw/zinc/68/00/71/602680071.db2.gz	QYGBXHAKAKVZOC-UHFFFAOYSA-N	-1	3	352.479	2.058	20	30		FEEDHM
C=CCN1CCC(NC(=O)NCC2(NC(=O)[O-])CCCCCC2)CC1	ZINC000738493199	602700684	/nfs/dbraw/zinc/70/06/84/602700684.db2.gz	YTBYNQCFUBDUMF-UHFFFAOYSA-N	-1	3	352.479	2.297	20	30		FEEDHM
COc1ccc(CNC(=O)C=Cc2ccccc2C#N)cc1-c1nnn[n-]1	ZINC000826196916	607582572	/nfs/dbraw/zinc/58/25/72/607582572.db2.gz	SFHJWWNXHIMAML-CLFYSBASSA-N	-1	3	360.377	2.077	20	30		FEEDHM
COc1ccc(CNC(=O)C=Cc2ccccc2C#N)cc1-c1nn[n-]n1	ZINC000826196916	607582574	/nfs/dbraw/zinc/58/25/74/607582574.db2.gz	SFHJWWNXHIMAML-CLFYSBASSA-N	-1	3	360.377	2.077	20	30		FEEDHM
Cc1nnc(-c2cccc(C#N)c2)n1CN1CCC[C@@H](CN(C)C(=O)[O-])C1	ZINC000740251557	603081239	/nfs/dbraw/zinc/08/12/39/603081239.db2.gz	DANGAWKKOLJOHB-INIZCTEOSA-N	-1	3	368.441	2.405	20	30		FEEDHM
CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(CNC(=O)[O-])o1	ZINC000828032304	603426602	/nfs/dbraw/zinc/42/66/02/603426602.db2.gz	YNDLCTYHIQVDEB-UHFFFAOYSA-N	-1	3	370.409	2.123	20	30		FEEDHM
C=C(C)CN1CCC(NC(=O)N(C)CC[C@@H](NC(=O)[O-])C(C)C)CC1	ZINC000823480622	603649441	/nfs/dbraw/zinc/64/94/41/603649441.db2.gz	JDCFSJNKZNDPKY-MRXNPFEDSA-N	-1	3	354.495	2.351	20	30		FEEDHM
COc1cccc(NC(=O)C(C#N)C(=O)[C@H]2CCC[C@H](NC(=O)[O-])C2)c1	ZINC000829569670	604219388	/nfs/dbraw/zinc/21/93/88/604219388.db2.gz	FTWLZTMPNZXIAY-SLEUVZQESA-N	-1	3	359.382	2.169	20	30		FEEDHM
C[C@@H](C(=O)[O-])N1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1	ZINC000819895340	604617569	/nfs/dbraw/zinc/61/75/69/604617569.db2.gz	FVEMRQWEDHNOBP-FZMZJTMJSA-N	-1	3	352.232	2.104	20	30		FEEDHM
N#Cc1ccc(CN2CCC[C@@H](CNC(=O)[C@H]3CCCN3C(=O)[O-])C2)cc1	ZINC000833971753	605520487	/nfs/dbraw/zinc/52/04/87/605520487.db2.gz	MNNKHLMAYJAFTK-ZWKOTPCHSA-N	-1	3	370.453	2.029	20	30		FEEDHM
C#CCCCCNC(=O)Nc1ccc(NC(=O)OCC)c(-c2nnn[n-]2)c1	ZINC000823842270	607766587	/nfs/dbraw/zinc/76/65/87/607766587.db2.gz	ZYGIBRNKHYZNPL-UHFFFAOYSA-N	-1	3	371.401	2.360	20	30		FEEDHM
C#CCCCCNC(=O)Nc1ccc(NC(=O)OCC)c(-c2nn[n-]n2)c1	ZINC000823842270	607766588	/nfs/dbraw/zinc/76/65/88/607766588.db2.gz	ZYGIBRNKHYZNPL-UHFFFAOYSA-N	-1	3	371.401	2.360	20	30		FEEDHM
N#Cc1ccsc1N1CC[C@@H](Nc2cccc(-c3nnn[n-]3)c2)C1=O	ZINC000822842613	606243861	/nfs/dbraw/zinc/24/38/61/606243861.db2.gz	QCWZKZHCQWUECK-CYBMUJFWSA-N	-1	3	351.395	2.017	20	30		FEEDHM
N#Cc1ccsc1N1CC[C@@H](Nc2cccc(-c3nn[n-]n3)c2)C1=O	ZINC000822842613	606243863	/nfs/dbraw/zinc/24/38/63/606243863.db2.gz	QCWZKZHCQWUECK-CYBMUJFWSA-N	-1	3	351.395	2.017	20	30		FEEDHM
Fc1ccc(C2N=NC(=S)N2N=Cc2ccc(-c3nnn[n-]3)s2)cc1	ZINC000822753117	606369140	/nfs/dbraw/zinc/36/91/40/606369140.db2.gz	FEFWNHJOIQDZQX-UHFFFAOYSA-N	-1	3	372.414	2.497	20	30		FEEDHM
N#Cc1ccc(CN(C(=O)Cc2cccc(-c3nnn[n-]3)c2)C2CC2)cc1	ZINC000822825364	606504158	/nfs/dbraw/zinc/50/41/58/606504158.db2.gz	CBWFCKAMQMBAPV-UHFFFAOYSA-N	-1	3	358.405	2.472	20	30		FEEDHM
N#Cc1ccc(CN(C(=O)Cc2cccc(-c3nn[n-]n3)c2)C2CC2)cc1	ZINC000822825364	606504159	/nfs/dbraw/zinc/50/41/59/606504159.db2.gz	CBWFCKAMQMBAPV-UHFFFAOYSA-N	-1	3	358.405	2.472	20	30		FEEDHM
C[C@H]1CCN(c2cc(C(=O)Nc3ccc(-c4nnn[n-]4)c(C#N)c3)ccn2)C1	ZINC000820727856	606513744	/nfs/dbraw/zinc/51/37/44/606513744.db2.gz	PRJITBNUBBBIEA-LBPRGKRZSA-N	-1	3	374.408	2.232	20	30		FEEDHM
C[C@H]1CCN(c2cc(C(=O)Nc3ccc(-c4nn[n-]n4)c(C#N)c3)ccn2)C1	ZINC000820727856	606513745	/nfs/dbraw/zinc/51/37/45/606513745.db2.gz	PRJITBNUBBBIEA-LBPRGKRZSA-N	-1	3	374.408	2.232	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCCn1cccc1	ZINC000819745986	606587724	/nfs/dbraw/zinc/58/77/24/606587724.db2.gz	XJZHHINXGLRTAI-UHFFFAOYSA-N	-1	3	351.414	2.066	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCCn1cccc1	ZINC000819745986	606587725	/nfs/dbraw/zinc/58/77/25/606587725.db2.gz	XJZHHINXGLRTAI-UHFFFAOYSA-N	-1	3	351.414	2.066	20	30		FEEDHM
N#CCOc1cccc(NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c1	ZINC000822814221	606671403	/nfs/dbraw/zinc/67/14/03/606671403.db2.gz	CICZNGKPJYUJMC-UHFFFAOYSA-N	-1	3	356.292	2.300	20	30		FEEDHM
N#CCOc1cccc(NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1	ZINC000822814221	606671404	/nfs/dbraw/zinc/67/14/04/606671404.db2.gz	CICZNGKPJYUJMC-UHFFFAOYSA-N	-1	3	356.292	2.300	20	30		FEEDHM
C#CCN(CC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C1CCCC1	ZINC000819697410	606784768	/nfs/dbraw/zinc/78/47/68/606784768.db2.gz	DSAFFNPUBMOZGB-UHFFFAOYSA-N	-1	3	358.833	2.336	20	30		FEEDHM
C#CCN(CC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C1CCCC1	ZINC000819697410	606784770	/nfs/dbraw/zinc/78/47/70/606784770.db2.gz	DSAFFNPUBMOZGB-UHFFFAOYSA-N	-1	3	358.833	2.336	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@H]1CCCS1	ZINC000819742861	606835529	/nfs/dbraw/zinc/83/55/29/606835529.db2.gz	AWNIFBNWZQJENC-OAHLLOKOSA-N	-1	3	358.471	2.460	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@H]1CCCS1	ZINC000819742861	606835531	/nfs/dbraw/zinc/83/55/31/606835531.db2.gz	AWNIFBNWZQJENC-OAHLLOKOSA-N	-1	3	358.471	2.460	20	30		FEEDHM
CCc1nnc(NCc2cc(C#N)ccc2F)c(-c2nnn[n-]2)c1CC	ZINC000821542512	606940500	/nfs/dbraw/zinc/94/05/00/606940500.db2.gz	ULYUUNISCAAPCC-UHFFFAOYSA-N	-1	3	352.377	2.404	20	30		FEEDHM
CCc1nnc(NCc2cc(C#N)ccc2F)c(-c2nn[n-]n2)c1CC	ZINC000821542512	606940502	/nfs/dbraw/zinc/94/05/02/606940502.db2.gz	ULYUUNISCAAPCC-UHFFFAOYSA-N	-1	3	352.377	2.404	20	30		FEEDHM
N#Cc1cc(CN2CCN(c3ccccc3-c3nnn[n-]3)CC2)ccc1F	ZINC000822819522	606968809	/nfs/dbraw/zinc/96/88/09/606968809.db2.gz	UFWHBFZRDRTWFO-UHFFFAOYSA-N	-1	3	363.400	2.200	20	30		FEEDHM
N#Cc1cc(CN2CCN(c3ccccc3-c3nn[n-]n3)CC2)ccc1F	ZINC000822819522	606968811	/nfs/dbraw/zinc/96/88/11/606968811.db2.gz	UFWHBFZRDRTWFO-UHFFFAOYSA-N	-1	3	363.400	2.200	20	30		FEEDHM
C=CCC(CC=C)C(=O)O[C@@H](C(=O)OC)c1ccc(-c2nnn[n-]2)cc1	ZINC000819734829	607004088	/nfs/dbraw/zinc/00/40/88/607004088.db2.gz	UVVKRMDMNIALLW-OAHLLOKOSA-N	-1	3	356.382	2.392	20	30		FEEDHM
C=CCC(CC=C)C(=O)O[C@@H](C(=O)OC)c1ccc(-c2nn[n-]n2)cc1	ZINC000819734829	607004090	/nfs/dbraw/zinc/00/40/90/607004090.db2.gz	UVVKRMDMNIALLW-OAHLLOKOSA-N	-1	3	356.382	2.392	20	30		FEEDHM
C=CCC(CC=C)C(=O)O[C@H](C(=O)OC)c1cccc(-c2nnn[n-]2)c1	ZINC000819734749	607004626	/nfs/dbraw/zinc/00/46/26/607004626.db2.gz	SHRRAWAVGJSRTO-HNNXBMFYSA-N	-1	3	356.382	2.392	20	30		FEEDHM
C=CCC(CC=C)C(=O)O[C@H](C(=O)OC)c1cccc(-c2nn[n-]n2)c1	ZINC000819734749	607004627	/nfs/dbraw/zinc/00/46/27/607004627.db2.gz	SHRRAWAVGJSRTO-HNNXBMFYSA-N	-1	3	356.382	2.392	20	30		FEEDHM
C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCc1cc(F)ccc1C#N	ZINC000820536934	607075372	/nfs/dbraw/zinc/07/53/72/607075372.db2.gz	YWVSCPOSIDOLGT-NSHDSACASA-N	-1	3	367.340	2.388	20	30		FEEDHM
CC1CC(C#N)(C(=O)OCc2ccc(-c3nnn[n-]3)cc2OC(F)F)C1	ZINC000820650010	607112761	/nfs/dbraw/zinc/11/27/61/607112761.db2.gz	QCVIXCPMGBYEHI-UHFFFAOYSA-N	-1	3	363.324	2.451	20	30		FEEDHM
CC1CC(C#N)(C(=O)OCc2ccc(-c3nn[n-]n3)cc2OC(F)F)C1	ZINC000820650010	607112762	/nfs/dbraw/zinc/11/27/62/607112762.db2.gz	QCVIXCPMGBYEHI-UHFFFAOYSA-N	-1	3	363.324	2.451	20	30		FEEDHM
Cc1onc(-c2ccncc2)c1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1	ZINC000822553742	607238319	/nfs/dbraw/zinc/23/83/19/607238319.db2.gz	PZEVRTFNTYILPX-UHFFFAOYSA-N	-1	3	372.348	2.349	20	30		FEEDHM
Cc1onc(-c2ccncc2)c1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1	ZINC000822553742	607238320	/nfs/dbraw/zinc/23/83/20/607238320.db2.gz	PZEVRTFNTYILPX-UHFFFAOYSA-N	-1	3	372.348	2.349	20	30		FEEDHM
N#Cc1cccc(S(=O)(=O)CCSc2ccccc2-c2nnn[n-]2)c1	ZINC000826387232	607817087	/nfs/dbraw/zinc/81/70/87/607817087.db2.gz	LGZKRIWKQGWPMB-UHFFFAOYSA-N	-1	3	371.447	2.304	20	30		FEEDHM
N#Cc1cccc(S(=O)(=O)CCSc2ccccc2-c2nn[n-]n2)c1	ZINC000826387232	607817088	/nfs/dbraw/zinc/81/70/88/607817088.db2.gz	LGZKRIWKQGWPMB-UHFFFAOYSA-N	-1	3	371.447	2.304	20	30		FEEDHM
N#Cc1ccc(N[C@H]2CC[C@H](Nc3ccc(-c4nnn[n-]4)cn3)CC2)nc1	ZINC000826385943	607822795	/nfs/dbraw/zinc/82/27/95/607822795.db2.gz	IPUFMNMMHXCSLU-SHTZXODSSA-N	-1	3	361.413	2.364	20	30		FEEDHM
N#Cc1ccc(N[C@H]2CC[C@H](Nc3ccc(-c4nn[n-]n4)cn3)CC2)nc1	ZINC000826385943	607822796	/nfs/dbraw/zinc/82/27/96/607822796.db2.gz	IPUFMNMMHXCSLU-SHTZXODSSA-N	-1	3	361.413	2.364	20	30		FEEDHM
CCOc1cc(C#N)ccc1OC[C@H](O)c1ccc(-c2nnn[n-]2)cc1	ZINC000825615783	607871900	/nfs/dbraw/zinc/87/19/00/607871900.db2.gz	KMTWEHUDWDOLRA-HNNXBMFYSA-N	-1	3	351.366	2.249	20	30		FEEDHM
CCOc1cc(C#N)ccc1OC[C@H](O)c1ccc(-c2nn[n-]n2)cc1	ZINC000825615783	607871901	/nfs/dbraw/zinc/87/19/01/607871901.db2.gz	KMTWEHUDWDOLRA-HNNXBMFYSA-N	-1	3	351.366	2.249	20	30		FEEDHM
N#Cc1ccc(Cl)cc1OC[C@H](O)COc1ccc(-c2nn[n-]n2)cc1	ZINC000826385564	607878186	/nfs/dbraw/zinc/87/81/86/607878186.db2.gz	RJBODRQKFPNTGH-CQSZACIVSA-N	-1	3	371.784	2.210	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2cnc([C@@H]3CCCO3)s2)cc1-c1nnn[n-]1	ZINC000826385309	608028175	/nfs/dbraw/zinc/02/81/75/608028175.db2.gz	GIVYWSHXLFWRLT-LBPRGKRZSA-N	-1	3	367.394	2.299	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2cnc([C@@H]3CCCO3)s2)cc1-c1nn[n-]n1	ZINC000826385309	608028176	/nfs/dbraw/zinc/02/81/76/608028176.db2.gz	GIVYWSHXLFWRLT-LBPRGKRZSA-N	-1	3	367.394	2.299	20	30		FEEDHM
N#Cc1cccc([C@@H]2CN(c3ncc(-c4nnn[n-]4)cc3Cl)CCO2)c1	ZINC000826386406	608053479	/nfs/dbraw/zinc/05/34/79/608053479.db2.gz	CLSJOATVZIYRFE-HNNXBMFYSA-N	-1	3	367.800	2.365	20	30		FEEDHM
N#Cc1cccc([C@@H]2CN(c3ncc(-c4nn[n-]n4)cc3Cl)CCO2)c1	ZINC000826386406	608053480	/nfs/dbraw/zinc/05/34/80/608053480.db2.gz	CLSJOATVZIYRFE-HNNXBMFYSA-N	-1	3	367.800	2.365	20	30		FEEDHM
C#Cc1cccc(NC(=O)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)c1	ZINC000823861264	608072117	/nfs/dbraw/zinc/07/21/17/608072117.db2.gz	BTPZWJZPBYESFM-GOSISDBHSA-N	-1	3	374.404	2.453	20	30		FEEDHM
C#Cc1cccc(NC(=O)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)c1	ZINC000823861264	608072118	/nfs/dbraw/zinc/07/21/18/608072118.db2.gz	BTPZWJZPBYESFM-GOSISDBHSA-N	-1	3	374.404	2.453	20	30		FEEDHM
CC#CCNC(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1	ZINC000823937131	608099151	/nfs/dbraw/zinc/09/91/51/608099151.db2.gz	JKYIIOVWKQOMBM-UHFFFAOYSA-N	-1	3	353.411	2.059	20	30		FEEDHM
CC#CCNC(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1	ZINC000823937131	608099152	/nfs/dbraw/zinc/09/91/52/608099152.db2.gz	JKYIIOVWKQOMBM-UHFFFAOYSA-N	-1	3	353.411	2.059	20	30		FEEDHM
CC#CCNC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1	ZINC000823937464	608100028	/nfs/dbraw/zinc/10/00/28/608100028.db2.gz	YVIIWZJEWUIXSC-UHFFFAOYSA-N	-1	3	352.423	2.418	20	30		FEEDHM
C[C@H]1CC(NC(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)=NO1	ZINC000824893702	608207733	/nfs/dbraw/zinc/20/77/33/608207733.db2.gz	UARFCQSXCQWYPG-NSHDSACASA-N	-1	3	363.381	2.462	20	30		FEEDHM
COc1cc(-c2nnn[n-]2)ccc1CON=CC(=O)Nc1cccc(F)c1	ZINC000826173244	608324316	/nfs/dbraw/zinc/32/43/16/608324316.db2.gz	UVXGSIOQJLZKTJ-UHFFFAOYSA-N	-1	3	370.344	2.156	20	30		FEEDHM
COc1cc(-c2nn[n-]n2)ccc1CON=CC(=O)Nc1cccc(F)c1	ZINC000826173244	608324318	/nfs/dbraw/zinc/32/43/18/608324318.db2.gz	UVXGSIOQJLZKTJ-UHFFFAOYSA-N	-1	3	370.344	2.156	20	30		FEEDHM
COc1cccc(C=NOCc2ccc(-c3nnn[n-]3)cc2OC)c1OC	ZINC000826173318	608324475	/nfs/dbraw/zinc/32/44/75/608324475.db2.gz	XPHBIFCJZSMEOU-UHFFFAOYSA-N	-1	3	369.381	2.443	20	30		FEEDHM
COc1cccc(C=NOCc2ccc(-c3nn[n-]n3)cc2OC)c1OC	ZINC000826173318	608324477	/nfs/dbraw/zinc/32/44/77/608324477.db2.gz	XPHBIFCJZSMEOU-UHFFFAOYSA-N	-1	3	369.381	2.443	20	30		FEEDHM
Cc1ccc(C#N)cc1OS(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F	ZINC000826281097	608339816	/nfs/dbraw/zinc/33/98/16/608339816.db2.gz	DPCXFKUAIQCZAG-UHFFFAOYSA-N	-1	3	373.369	2.095	20	30		FEEDHM
Cc1ccc(C#N)cc1OS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F	ZINC000826281097	608339818	/nfs/dbraw/zinc/33/98/18/608339818.db2.gz	DPCXFKUAIQCZAG-UHFFFAOYSA-N	-1	3	373.369	2.095	20	30		FEEDHM
N#Cc1ccc(NCC(=O)OCc2cccc(-c3nnn[n-]3)c2F)cc1	ZINC000826385365	608445188	/nfs/dbraw/zinc/44/51/88/608445188.db2.gz	IZKJETNRRMDTJS-UHFFFAOYSA-N	-1	3	352.329	2.033	20	30		FEEDHM
N#Cc1ccc(NCC(=O)OCc2cccc(-c3nn[n-]n3)c2F)cc1	ZINC000826385365	608445190	/nfs/dbraw/zinc/44/51/90/608445190.db2.gz	IZKJETNRRMDTJS-UHFFFAOYSA-N	-1	3	352.329	2.033	20	30		FEEDHM
CC(C)C[C@H](C#N)NC(=O)[C@H](Oc1ccccc1-c1nnn[n-]1)C(C)C	ZINC000824229626	608497512	/nfs/dbraw/zinc/49/75/12/608497512.db2.gz	SZTSANWDROZGJZ-CZUORRHYSA-N	-1	3	356.430	2.325	20	30		FEEDHM
CC(C)C[C@H](C#N)NC(=O)[C@H](Oc1ccccc1-c1nn[n-]n1)C(C)C	ZINC000824229626	608497513	/nfs/dbraw/zinc/49/75/13/608497513.db2.gz	SZTSANWDROZGJZ-CZUORRHYSA-N	-1	3	356.430	2.325	20	30		FEEDHM
COCCOc1ccc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)cc1	ZINC000826162921	608537482	/nfs/dbraw/zinc/53/74/82/608537482.db2.gz	YIYAVRNVBXPPOT-UHFFFAOYSA-N	-1	3	373.804	2.386	20	30		FEEDHM
COCCOc1ccc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)cc1	ZINC000826162921	608537483	/nfs/dbraw/zinc/53/74/83/608537483.db2.gz	YIYAVRNVBXPPOT-UHFFFAOYSA-N	-1	3	373.804	2.386	20	30		FEEDHM
N#Cc1csc(CN2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)c1	ZINC000826387699	608854692	/nfs/dbraw/zinc/85/46/92/608854692.db2.gz	LOUHKLKXBAVZOL-MRXNPFEDSA-N	-1	3	352.423	2.373	20	30		FEEDHM
N#Cc1csc(CN2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)c1	ZINC000826387699	608854694	/nfs/dbraw/zinc/85/46/94/608854694.db2.gz	LOUHKLKXBAVZOL-MRXNPFEDSA-N	-1	3	352.423	2.373	20	30		FEEDHM
COCCn1nc(C)c(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)c1C	ZINC000826164074	608882036	/nfs/dbraw/zinc/88/20/36/608882036.db2.gz	YEPGSWNHXXINNX-FNORWQNLSA-N	-1	3	370.388	2.362	20	30		FEEDHM
COCCn1nc(C)c(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)c1C	ZINC000826164074	608882037	/nfs/dbraw/zinc/88/20/37/608882037.db2.gz	YEPGSWNHXXINNX-FNORWQNLSA-N	-1	3	370.388	2.362	20	30		FEEDHM
C=CCN(Cc1ccccc1F)C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1	ZINC000823919443	609208256	/nfs/dbraw/zinc/20/82/56/609208256.db2.gz	FTMZRESWYPBYQA-KRWDZBQOSA-N	-1	3	367.384	2.254	20	30		FEEDHM
C=CCN(Cc1ccccc1F)C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1	ZINC000823919443	609208258	/nfs/dbraw/zinc/20/82/58/609208258.db2.gz	FTMZRESWYPBYQA-KRWDZBQOSA-N	-1	3	367.384	2.254	20	30		FEEDHM
C[C@@H](C#N)Oc1ccccc1NC(=O)CNc1ccc(-c2nn[n-]n2)cc1	ZINC000824035172	609263345	/nfs/dbraw/zinc/26/33/45/609263345.db2.gz	SWLPDIYIQHZRSC-LBPRGKRZSA-N	-1	3	363.381	2.208	20	30		FEEDHM
O=C(C=Cc1cnc(N2CCCC2)nc1)c1ccc(-c2nnn[n-]2)cc1F	ZINC000826403125	609271210	/nfs/dbraw/zinc/27/12/10/609271210.db2.gz	KLDNSEDVOLPHAJ-ZZXKWVIFSA-N	-1	3	365.372	2.292	20	30		FEEDHM
O=C(C=Cc1cnc(N2CCCC2)nc1)c1ccc(-c2nn[n-]n2)cc1F	ZINC000826403125	609271212	/nfs/dbraw/zinc/27/12/12/609271212.db2.gz	KLDNSEDVOLPHAJ-ZZXKWVIFSA-N	-1	3	365.372	2.292	20	30		FEEDHM
N#CC1(C(=O)Nc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)CCCC1	ZINC000826380204	609291194	/nfs/dbraw/zinc/29/11/94/609291194.db2.gz	QVKLSTNQAYJNGN-UHFFFAOYSA-N	-1	3	366.360	2.214	20	30		FEEDHM
N#Cc1nc(N)n(Cc2cccc(SC(F)(F)F)c2)c1-c1nnn[n-]1	ZINC000826387835	609310787	/nfs/dbraw/zinc/31/07/87/609310787.db2.gz	UCKUAYZVOQXXOJ-UHFFFAOYSA-N	-1	3	366.332	2.177	20	30		FEEDHM
N#Cc1nc(N)n(Cc2cccc(SC(F)(F)F)c2)c1-c1nn[n-]n1	ZINC000826387835	609310789	/nfs/dbraw/zinc/31/07/89/609310789.db2.gz	UCKUAYZVOQXXOJ-UHFFFAOYSA-N	-1	3	366.332	2.177	20	30		FEEDHM
CC(=O)Nc1ccc(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)cc1	ZINC000824000173	609367814	/nfs/dbraw/zinc/36/78/14/609367814.db2.gz	XVKAEWCKIGNIOS-FPLPWBNLSA-N	-1	3	373.376	2.369	20	30		FEEDHM
CC(=O)Nc1ccc(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)cc1	ZINC000824000173	609367815	/nfs/dbraw/zinc/36/78/15/609367815.db2.gz	XVKAEWCKIGNIOS-FPLPWBNLSA-N	-1	3	373.376	2.369	20	30		FEEDHM
Cc1c(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cnn1CC(C)C	ZINC000826234604	609384211	/nfs/dbraw/zinc/38/42/11/609384211.db2.gz	FMWZHBWBHYVSPT-UHFFFAOYSA-N	-1	3	350.386	2.152	20	30		FEEDHM
Cc1c(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cnn1CC(C)C	ZINC000826234604	609384213	/nfs/dbraw/zinc/38/42/13/609384213.db2.gz	FMWZHBWBHYVSPT-UHFFFAOYSA-N	-1	3	350.386	2.152	20	30		FEEDHM
C[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCC(CC#N)CC1	ZINC000824045241	609428332	/nfs/dbraw/zinc/42/83/32/609428332.db2.gz	JUUGUSPJYBPMBW-LLVKDONJSA-N	-1	3	373.848	2.473	20	30		FEEDHM
C[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCC(CC#N)CC1	ZINC000824045241	609428333	/nfs/dbraw/zinc/42/83/33/609428333.db2.gz	JUUGUSPJYBPMBW-LLVKDONJSA-N	-1	3	373.848	2.473	20	30		FEEDHM
COc1cc(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)cc(O)c1O	ZINC000826179109	609473778	/nfs/dbraw/zinc/47/37/78/609473778.db2.gz	ZQAIQRLPWUXJBW-UHFFFAOYSA-N	-1	3	360.761	2.386	20	30		FEEDHM
COc1cc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)cc(O)c1O	ZINC000826179109	609473779	/nfs/dbraw/zinc/47/37/79/609473779.db2.gz	ZQAIQRLPWUXJBW-UHFFFAOYSA-N	-1	3	360.761	2.386	20	30		FEEDHM
N#Cc1cc(-c2nnn[n-]2)c(SCCc2cccc(F)c2F)nc1N	ZINC000826383811	609484182	/nfs/dbraw/zinc/48/41/82/609484182.db2.gz	REEFWAVRPDZGCR-UHFFFAOYSA-N	-1	3	359.365	2.329	20	30		FEEDHM
N#Cc1cc(-c2nn[n-]n2)c(SCCc2cccc(F)c2F)nc1N	ZINC000826383811	609484184	/nfs/dbraw/zinc/48/41/84/609484184.db2.gz	REEFWAVRPDZGCR-UHFFFAOYSA-N	-1	3	359.365	2.329	20	30		FEEDHM
Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CN1CCC[C@@](C)(C#N)C1	ZINC000826334996	609501179	/nfs/dbraw/zinc/50/11/79/609501179.db2.gz	SPIYPZKXFBHNQX-SFHVURJKSA-N	-1	3	363.429	2.017	20	30		FEEDHM
Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CN1CCC[C@@](C)(C#N)C1	ZINC000826334996	609501181	/nfs/dbraw/zinc/50/11/81/609501181.db2.gz	SPIYPZKXFBHNQX-SFHVURJKSA-N	-1	3	363.429	2.017	20	30		FEEDHM
Cc1cc(C(=O)Nc2cccc(C#N)c2)nn1-c1cccc(-c2nnn[n-]2)c1	ZINC000826260235	609507221	/nfs/dbraw/zinc/50/72/21/609507221.db2.gz	CFSBOUPWKDCWHB-UHFFFAOYSA-N	-1	3	370.376	2.485	20	30		FEEDHM
Cc1cc(C(=O)Nc2cccc(C#N)c2)nn1-c1cccc(-c2nn[n-]n2)c1	ZINC000826260235	609507222	/nfs/dbraw/zinc/50/72/22/609507222.db2.gz	CFSBOUPWKDCWHB-UHFFFAOYSA-N	-1	3	370.376	2.485	20	30		FEEDHM
N#Cc1ccccc1OS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl	ZINC000826387283	609535530	/nfs/dbraw/zinc/53/55/30/609535530.db2.gz	NQOFEAOEJQORQH-UHFFFAOYSA-N	-1	3	361.770	2.159	20	30		FEEDHM
N#Cc1ccccc1OS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl	ZINC000826387283	609535531	/nfs/dbraw/zinc/53/55/31/609535531.db2.gz	NQOFEAOEJQORQH-UHFFFAOYSA-N	-1	3	361.770	2.159	20	30		FEEDHM
N#Cc1ccc(N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)cc1	ZINC000826385411	609575308	/nfs/dbraw/zinc/57/53/08/609575308.db2.gz	LBLSXWYAJFCDHU-QGZVFWFLSA-N	-1	3	359.393	2.346	20	30		FEEDHM
N#Cc1ccc(N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)cc1	ZINC000826385411	609575310	/nfs/dbraw/zinc/57/53/10/609575310.db2.gz	LBLSXWYAJFCDHU-QGZVFWFLSA-N	-1	3	359.393	2.346	20	30		FEEDHM
C#CCCCCCC(=O)OCc1cccc(C(=O)OC)c1-c1nnn[n-]1	ZINC000823841265	609641746	/nfs/dbraw/zinc/64/17/46/609641746.db2.gz	KQINDHGZFJPTOB-UHFFFAOYSA-N	-1	3	356.382	2.280	20	30		FEEDHM
C#CCCCCCC(=O)OCc1cccc(C(=O)OC)c1-c1nn[n-]n1	ZINC000823841265	609641747	/nfs/dbraw/zinc/64/17/47/609641747.db2.gz	KQINDHGZFJPTOB-UHFFFAOYSA-N	-1	3	356.382	2.280	20	30		FEEDHM
C#C[C@@H]([N-]S(=O)(=O)c1ccsc1C(=O)OC)c1ccc(F)cc1	ZINC000812526801	674682862	/nfs/dbraw/zinc/68/28/62/674682862.db2.gz	RVUSSPAZFYEYJP-GFCCVEGCSA-N	-1	3	353.396	2.327	20	30		FEEDHM
C#CCSCC[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F	ZINC000813671927	674767419	/nfs/dbraw/zinc/76/74/19/674767419.db2.gz	GFTBWCAMGLGCDV-UHFFFAOYSA-N	-1	3	357.350	2.369	20	30		FEEDHM
CCn1nncc1C([O-])=C(C#N)C(=O)Nc1cc(C)c(Cl)cc1OC	ZINC000815907789	674983987	/nfs/dbraw/zinc/98/39/87/674983987.db2.gz	KMSXPJSOAXCCGY-JTQLQIEISA-N	-1	3	361.789	2.230	20	30		FEEDHM
Cc1cc(C(=O)N[C@@H]2CCCN([O-])C2=O)nc(-c2ccc(Cl)cc2)n1	ZINC000816754732	675077484	/nfs/dbraw/zinc/07/74/84/675077484.db2.gz	KOZZAVBOWBZVSS-CYBMUJFWSA-N	-1	3	360.801	2.215	20	30		FEEDHM
C[C@H](CC(=O)OC[C@H](C)C1CCC1)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000817752989	675174741	/nfs/dbraw/zinc/17/47/41/675174741.db2.gz	MUWWVGLPRKPPSH-QWHCGFSZSA-N	-1	3	364.467	2.483	20	30		FEEDHM
CO[C@@H](CS(=O)(=O)[N-]c1cccc(C#N)c1Br)C1CC1	ZINC000579717327	671755943	/nfs/dbraw/zinc/75/59/43/671755943.db2.gz	DWGSEYVECRAPGM-LBPRGKRZSA-N	-1	3	359.245	2.487	20	30		FEEDHM
CC(C)[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)[C@H](O)C(F)(F)F	ZINC000585708048	672226469	/nfs/dbraw/zinc/22/64/69/672226469.db2.gz	JPUIJIKKRZOOFV-RYUDHWBXSA-N	-1	3	370.780	2.438	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccncc2F)ccc1F	ZINC000181823930	672431477	/nfs/dbraw/zinc/43/14/77/672431477.db2.gz	DSCPMNYIXASCCI-UHFFFAOYSA-N	-1	3	353.350	2.076	20	30		FEEDHM
N#Cc1ccc(F)c(CS(=O)(=O)[N-][C@H](CO)c2cc(F)ccc2F)c1	ZINC000611233662	676027199	/nfs/dbraw/zinc/02/71/99/676027199.db2.gz	RPRDIZUPIHECIO-MRXNPFEDSA-N	-1	3	370.352	2.129	20	30		FEEDHM
CN(C)C(=O)[C@@H]1CC[C@H](C/N=C\c2cc(Br)ccc2[O-])O1	ZINC000255500404	672891854	/nfs/dbraw/zinc/89/18/54/672891854.db2.gz	NSMITWHPEPEMJF-UXQWNLSTSA-N	-1	3	355.232	2.209	20	30		FEEDHM
C#CCCS(=O)(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1	ZINC000288363210	672986206	/nfs/dbraw/zinc/98/62/06/672986206.db2.gz	NMJIQTWLDCCNLW-UHFFFAOYSA-N	-1	3	370.858	2.049	20	30		FEEDHM
C#CC[C@H](COC)[N-]S(=O)(=O)c1c(Cl)cccc1Br	ZINC000716889021	673076065	/nfs/dbraw/zinc/07/60/65/673076065.db2.gz	QQCYKLMZPJJWHC-SECBINFHSA-N	-1	3	366.664	2.419	20	30		FEEDHM
N#Cc1cccc(-c2nnc(CSc3nc4nncc-4c(O)[n-]3)o2)c1	ZINC000462696021	673276180	/nfs/dbraw/zinc/27/61/80/673276180.db2.gz	JUQDFVNIOJFJRQ-UHFFFAOYSA-N	-1	3	351.351	2.272	20	30		FEEDHM
C[C@H](OC(=O)c1cccc(Br)c1[O-])C(=O)N(C)CCC#N	ZINC000730363584	673278016	/nfs/dbraw/zinc/27/80/16/673278016.db2.gz	BJQPFFUOSVDEMC-VIFPVBQESA-N	-1	3	355.188	2.072	20	30		FEEDHM
C#CCOc1ccc([N-]S(=O)(=O)c2ccc(CC(=O)OC)cc2)cc1	ZINC000733249735	673405787	/nfs/dbraw/zinc/40/57/87/673405787.db2.gz	RLTRTXGOJJTEQK-UHFFFAOYSA-N	-1	3	359.403	2.215	20	30		FEEDHM
C=C(Cl)CNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1	ZINC000736238207	673516446	/nfs/dbraw/zinc/51/64/46/673516446.db2.gz	GDDHAAFXIYECIL-UHFFFAOYSA-N	-1	3	357.794	2.437	20	30		FEEDHM
C=CCCSCCNC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1	ZINC000597971681	673525720	/nfs/dbraw/zinc/52/57/20/673525720.db2.gz	DXBSWDJKULNKNP-UHFFFAOYSA-N	-1	3	368.933	2.105	20	30		FEEDHM
C[C@@H](CC(=O)NCCC1CCCC1)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000742520567	673729765	/nfs/dbraw/zinc/72/97/65/673729765.db2.gz	LHXDLDFVFFSRMW-ZDUSSCGKSA-N	-1	3	363.483	2.200	20	30		FEEDHM
C=C(C)C[C@@H]([N-]S(=O)(=O)c1cscc1Br)C(=O)OC	ZINC000601502933	673872164	/nfs/dbraw/zinc/87/21/64/673872164.db2.gz	ZJMHWYBFPMTKRL-SECBINFHSA-N	-1	3	368.274	2.297	20	30		FEEDHM
CC(=N[N-]S(=O)(=O)CCc1ccccc1)c1ccc([S@@](C)=O)cc1	ZINC000746372198	673875128	/nfs/dbraw/zinc/87/51/28/673875128.db2.gz	MHUNXPYQCMBOLI-HSZRJFAPSA-N	-1	3	364.492	2.310	20	30		FEEDHM
Cc1cc(C=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)cc(C)c1O	ZINC000746491240	673881103	/nfs/dbraw/zinc/88/11/03/673881103.db2.gz	DJZYTZWGVWGHIQ-UHFFFAOYSA-N	-1	3	363.395	2.371	20	30		FEEDHM
CCOc1ccc([C@]2(C(=O)N[C@@H]3CCN([O-])C3=O)CC2(Cl)Cl)cc1	ZINC000820120571	675337271	/nfs/dbraw/zinc/33/72/71/675337271.db2.gz	QSLLLLKDZWOBJF-DOMZBBRYSA-N	-1	3	373.236	2.007	20	30		FEEDHM
O=C(N[C@@H]1CCN([O-])C1=O)C1(c2cccc(OC(F)(F)F)c2)CCC1	ZINC000820133702	675338569	/nfs/dbraw/zinc/33/85/69/675338569.db2.gz	ZDEYIMPPNCLZEQ-GFCCVEGCSA-N	-1	3	358.316	2.113	20	30		FEEDHM
Cc1cc(Br)cc2c(C(=O)N[C@H]3CCN([O-])C3=O)coc21	ZINC000820144805	675339153	/nfs/dbraw/zinc/33/91/53/675339153.db2.gz	YNJFYSVNDWCGBU-NSHDSACASA-N	-1	3	353.172	2.224	20	30		FEEDHM
Cc1nc(SC(F)(F)F)sc1CC(=O)N[C@@H]1CCCN([O-])C1=O	ZINC000820476023	675364997	/nfs/dbraw/zinc/36/49/97/675364997.db2.gz	FWBRCRURSAQIPT-SSDOTTSWSA-N	-1	3	369.390	2.102	20	30		FEEDHM
COc1cc(C(=O)N[C@H]2CCCN([O-])C2=O)cc(Cl)c1OCC(C)C	ZINC000820482460	675365296	/nfs/dbraw/zinc/36/52/96/675365296.db2.gz	KIWGUAOLEFNCKN-ZDUSSCGKSA-N	-1	3	370.833	2.493	20	30		FEEDHM
CCOC(=O)[C@@H]1CCC(=N[N-]S(=O)(=O)Cc2ccccc2)[C@@H](C)C1	ZINC000761261705	680717221	/nfs/dbraw/zinc/71/72/21/680717221.db2.gz	PFIUZXHWETURBS-DZGCQCFKSA-N	-1	3	352.456	2.461	20	30		FEEDHM
CCOc1ccc(C=N[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c(O)c1	ZINC000748255214	679945863	/nfs/dbraw/zinc/94/58/63/679945863.db2.gz	RAGVWWQJUBYNMC-UHFFFAOYSA-N	-1	3	365.367	2.012	20	30		FEEDHM
N#C[C@]1(C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)CC12CCCC2	ZINC000832216047	680111739	/nfs/dbraw/zinc/11/17/39/680111739.db2.gz	XWEPEHUFDXKSQE-LRDDRELGSA-N	-1	3	357.376	2.378	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCS[C@H](C)C2)ccc1F	ZINC000834684148	680256303	/nfs/dbraw/zinc/25/63/03/680256303.db2.gz	QBWGDEBRRMTBHS-YPMHNXCESA-N	-1	3	372.487	2.304	20	30		FEEDHM
COc1cccc(OCC2N=NC(=S)N2N=Cc2ccc([O-])cn2)c1	ZINC000755606846	680424176	/nfs/dbraw/zinc/42/41/76/680424176.db2.gz	SGPPOVCYIWPKQB-UHFFFAOYSA-N	-1	3	357.395	2.137	20	30		FEEDHM
Cn1nc(Br)c2c1ncnc2N=NCc1cccc(F)c1[O-]	ZINC000755683827	680428450	/nfs/dbraw/zinc/42/84/50/680428450.db2.gz	UPLHYCUSHODONP-UHFFFAOYSA-N	-1	3	365.166	2.417	20	30		FEEDHM
O=S1(=O)[N-]C(=NN=Cc2cc(-c3ccccc3)[nH]n2)c2ccccc21	ZINC000767770499	680925601	/nfs/dbraw/zinc/92/56/01/680925601.db2.gz	KJLNHYSPTJQHTJ-UHFFFAOYSA-N	-1	3	351.391	2.149	20	30		FEEDHM
C=C[C@H](C)O[N-]C(=O)Cc1ccc(S(=O)(=O)CC(F)(F)F)cc1	ZINC000846545360	681258066	/nfs/dbraw/zinc/25/80/66/681258066.db2.gz	NRFNOYPVWWLRER-JTQLQIEISA-N	-1	3	351.346	2.187	20	30		FEEDHM
C[N-]S(=O)(=O)c1cc(C(=O)OCc2ccc(C#N)cc2C)ccc1F	ZINC000777053870	681458033	/nfs/dbraw/zinc/45/80/33/681458033.db2.gz	CILBLPAPEVLZKX-UHFFFAOYSA-N	-1	3	362.382	2.271	20	30		FEEDHM
O=C(N[C@@H]1CCCN([O-])C1=O)c1cc(Cl)c(Br)cc1F	ZINC000848131452	681477662	/nfs/dbraw/zinc/47/76/62/681477662.db2.gz	GSAWTOWULLDSLR-SNVBAGLBSA-N	-1	3	365.586	2.352	20	30		FEEDHM
Cc1ccc(CCC(=O)N[C@H]2CCCN([O-])C2=O)c(Br)c1	ZINC000848133966	681477983	/nfs/dbraw/zinc/47/79/83/681477983.db2.gz	KYCVEEIWAYNQJM-ZDUSSCGKSA-N	-1	3	355.232	2.187	20	30		FEEDHM
Cc1ccc(/C=C\C(=O)N[C@H]2CCCN([O-])C2=O)c(Br)c1	ZINC000848139294	681478677	/nfs/dbraw/zinc/47/86/77/681478677.db2.gz	ZHNGKDRZSNKATN-FWWRYZNZSA-N	-1	3	353.216	2.267	20	30		FEEDHM
C[C@H](CC(=O)O[C@H]1CC[C@@H](C)C1)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000779263374	681695163	/nfs/dbraw/zinc/69/51/63/681695163.db2.gz	WFUJZOKXYAAQHD-UPJWGTAASA-N	-1	3	350.440	2.236	20	30		FEEDHM
C=CCCCOC(=O)C1([N-]S(=O)(=O)c2c(C)noc2C)CCCC1	ZINC000786300216	682366501	/nfs/dbraw/zinc/36/65/01/682366501.db2.gz	VAYBROGGDHBLRY-UHFFFAOYSA-N	-1	3	356.444	2.392	20	30		FEEDHM
[O-]c1cc(Br)ccc1C=NNC(=S)NC[C@H]1CCCO1	ZINC000853267438	682400182	/nfs/dbraw/zinc/40/01/82/682400182.db2.gz	QCCDYOBWTRITPL-LLVKDONJSA-N	-1	3	358.261	2.132	20	30		FEEDHM
CC[C@H](CC#N)OC(=O)CS(=O)(=O)[N-]c1ccc(OC(C)C)cc1	ZINC000787087101	682433418	/nfs/dbraw/zinc/43/34/18/682433418.db2.gz	LOHLDXRLEVGUHM-CQSZACIVSA-N	-1	3	354.428	2.451	20	30		FEEDHM
C=CCCN(C)C(=O)[C@@H](CC(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000787357633	682452907	/nfs/dbraw/zinc/45/29/07/682452907.db2.gz	OBDSNKNFESPIQH-OAHLLOKOSA-N	-1	3	363.483	2.174	20	30		FEEDHM
C#CCOCC[N-]S(=O)(=O)c1cccc(Br)c1Cl	ZINC000790265245	682663443	/nfs/dbraw/zinc/66/34/43/682663443.db2.gz	OSIQZSBMBQBHQB-UHFFFAOYSA-N	-1	3	352.637	2.031	20	30		FEEDHM
CC(=N[N-]S(=O)(=O)Cc1ccccc1)c1ccc(C(=O)N(C)C)cc1	ZINC000792982681	682854089	/nfs/dbraw/zinc/85/40/89/682854089.db2.gz	FWBONVSDAWBUTL-UHFFFAOYSA-N	-1	3	359.451	2.232	20	30		FEEDHM
CC1CCC(C)(CNC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)CC1	ZINC000794021697	682928356	/nfs/dbraw/zinc/92/83/56/682928356.db2.gz	GWKINTIHWTUVMO-UHFFFAOYSA-N	-1	3	363.483	2.058	20	30		FEEDHM
C#CC[C@@H](CCOC)[N-]S(=O)(=O)c1cc(Br)ccc1F	ZINC000859425914	683107691	/nfs/dbraw/zinc/10/76/91/683107691.db2.gz	MLKWHWWJFBQJTB-NSHDSACASA-N	-1	3	364.236	2.295	20	30		FEEDHM
C=CCSCCNC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1	ZINC000798394005	683342606	/nfs/dbraw/zinc/34/26/06/683342606.db2.gz	NKQTUCDWHTUNHP-UHFFFAOYSA-N	-1	3	353.410	2.006	20	30		FEEDHM
Cc1ccc(S(=O)(=O)N(C)C)cc1N=Cc1ccc(O)c([O-])c1O	ZINC000920942915	683382321	/nfs/dbraw/zinc/38/23/21/683382321.db2.gz	UKHDLAIHLUUHNE-UHFFFAOYSA-N	-1	3	350.396	2.113	20	30		FEEDHM
C#CCN1CCC([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CC1	ZINC000921438630	683467916	/nfs/dbraw/zinc/46/79/16/683467916.db2.gz	GGAOAIJTRKOQER-UHFFFAOYSA-N	-1	3	364.364	2.220	20	30		FEEDHM
C=CC[C@@H]1CCN(C(=O)C[C@@H](C)[N-]S(=O)(=O)c2cccnc2Cl)C1	ZINC000862543254	683599679	/nfs/dbraw/zinc/59/96/79/683599679.db2.gz	FXOVCXKCBNAHGL-CHWSQXEVSA-N	-1	3	371.890	2.217	20	30		FEEDHM
N#CCCCOc1cccc(CN2CC(C[N-]C(=O)C(F)(F)F)C2)c1	ZINC000877776790	686453770	/nfs/dbraw/zinc/45/37/70/686453770.db2.gz	AAQDDWQDNITMGV-UHFFFAOYSA-N	-1	3	355.360	2.479	20	30		FEEDHM
O=C(N[C@H](CCc1ccccc1)C(F)(F)F)N[C@H]1CCCN([O-])C1=O	ZINC000879193693	686765019	/nfs/dbraw/zinc/76/50/19/686765019.db2.gz	ZPEJCLFMMJRWEW-QWHCGFSZSA-N	-1	3	359.348	2.230	20	30		FEEDHM
C=C[C@H](C(=O)OC)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21	ZINC000879467496	686828637	/nfs/dbraw/zinc/82/86/37/686828637.db2.gz	IEMPEYPKLWLGKA-WCQYABFASA-N	-1	3	356.344	2.386	20	30		FEEDHM
Cc1nc(NCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)ccc1C#N	ZINC000487737670	686998927	/nfs/dbraw/zinc/99/89/27/686998927.db2.gz	YWSKNXPZOHWBTG-UHFFFAOYSA-N	-1	3	368.821	2.445	20	30		FEEDHM
C=C(C)C[C@@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)C(=O)OCC	ZINC000882644311	687425134	/nfs/dbraw/zinc/42/51/34/687425134.db2.gz	AJGFRAXMQMQCRQ-SNVBAGLBSA-N	-1	3	366.361	2.277	20	30		FEEDHM
CN(C)S(=O)(=O)c1cccc(C(=O)N([O-])Cc2ccc(F)cc2)c1	ZINC000901379288	690641625	/nfs/dbraw/zinc/64/16/25/690641625.db2.gz	UBYGBRBYBCUVLA-UHFFFAOYSA-N	-1	3	352.387	2.108	20	30		FEEDHM
CC[C@H]([N-]S(=O)(=O)c1c(C#N)sc2ccccc21)[C@@H](O)C(F)F	ZINC000907226788	691426769	/nfs/dbraw/zinc/42/67/69/691426769.db2.gz	NLNQZWPPLCQUOB-JOYOIKCWSA-N	-1	3	360.407	2.456	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC1(Br)CC1	ZINC000910195290	691899027	/nfs/dbraw/zinc/89/90/27/691899027.db2.gz	WDXAJNUZXGUOGH-UHFFFAOYSA-N	-1	3	352.232	2.252	20	30		FEEDHM
C#CCN1CCC(C(=O)N[C@](C)(Cc2ccc(Cl)cc2)C(=O)[O-])CC1	ZINC000910310795	691914173	/nfs/dbraw/zinc/91/41/73/691914173.db2.gz	FCGJCJFYPGSIHF-LJQANCHMSA-N	-1	3	362.857	2.187	20	30		FEEDHM
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)c1cc(F)cc2n[n-]nc21	ZINC000502814203	889042354	/nfs/dbraw/zinc/04/23/54/889042354.db2.gz	XPSCZZIOXIXZJU-UHFFFAOYSA-N	-1	3	362.328	2.110	20	30		FEEDHM
C#CCN1CCC(C(=O)N[C@@]2(C(=O)[O-])CC[C@H](C)c3ccccc32)CC1	ZINC001263635600	939829511	/nfs/dbraw/zinc/82/95/11/939829511.db2.gz	NJVORQCJGWOYDT-BTYIYWSLSA-N	-1	3	354.450	2.325	20	30		FEEDHM
Cc1ncc(CO)c(/C=N/C[C@@H](c2ccc(F)cc2)N2CCOCC2)c1[O-]	ZINC000005110826	539402169	/nfs/dbraw/zinc/40/21/69/539402169.db2.gz	AHTWQUPCZNEOOR-QKXOWGBTSA-N	-1	3	373.428	2.219	20	30		FEEDHM
CCSc1nnc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)s1	ZINC000005165139	539403276	/nfs/dbraw/zinc/40/32/76/539403276.db2.gz	MEJBMUFFNHWEPA-UHFFFAOYSA-N	-1	3	363.468	2.398	20	30		FEEDHM
N#Cc1ccc(N2CCC[C@@H](NC(=O)c3ccc4n[n-]nc4c3)C2)c(F)c1	ZINC000068532956	541605111	/nfs/dbraw/zinc/60/51/11/541605111.db2.gz	VBPPXLCNITWOEF-CQSZACIVSA-N	-1	3	364.384	2.367	20	30		FEEDHM
C=CCN(CC=C)[C@@H](CNC(=O)c1nc2ccccc2c(=O)[n-]1)C(C)C	ZINC000074273911	542062524	/nfs/dbraw/zinc/06/25/24/542062524.db2.gz	UZEBNKSLMLOLTC-KRWDZBQOSA-N	-1	3	354.454	2.352	20	30		FEEDHM
CCC[C@H](C#N)[N-]S(=O)(=O)c1ccc(CCNC(=O)CC(C)C)s1	ZINC000093928672	542946407	/nfs/dbraw/zinc/94/64/07/542946407.db2.gz	IBMDXPUTJPLWCM-CYBMUJFWSA-N	-1	3	371.528	2.423	20	30		FEEDHM
N#CCc1ccc(NC(=O)N2CCN(C(=O)c3cccc([O-])c3)CC2)cc1	ZINC000101741238	543043355	/nfs/dbraw/zinc/04/33/55/543043355.db2.gz	QKZXBEIGXYYJQU-UHFFFAOYSA-N	-1	3	364.405	2.448	20	30		FEEDHM
C[C@H](CC#N)N(C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1	ZINC000103442219	543107390	/nfs/dbraw/zinc/10/73/90/543107390.db2.gz	UAXAXTGPBYOBSF-LLVKDONJSA-N	-1	3	355.435	2.277	20	30		FEEDHM
CN1CCC[C@H](C[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1	ZINC000108406662	543289498	/nfs/dbraw/zinc/28/94/98/543289498.db2.gz	LPLFLFMPNLGVFF-GFCCVEGCSA-N	-1	3	361.389	2.197	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc([S@@](C)=O)c1	ZINC000110023025	543346441	/nfs/dbraw/zinc/34/64/41/543346441.db2.gz	OKEDEPDDVGYUKY-VWLOTQADSA-N	-1	3	357.435	2.172	20	30		FEEDHM
CCN(C[C@H](C)C#N)C(=O)[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(C)C	ZINC000116574009	543610456	/nfs/dbraw/zinc/61/04/56/543610456.db2.gz	BJIDOFOQFHCRMO-CJNGLKHVSA-N	-1	3	369.462	2.137	20	30		FEEDHM
C=CCCS(=O)(=O)[N-]c1ccc2nc(N3CCOCC3)sc2c1	ZINC000123073091	543740798	/nfs/dbraw/zinc/74/07/98/543740798.db2.gz	MRLMXZJONLKHQC-UHFFFAOYSA-N	-1	3	353.469	2.451	20	30		FEEDHM
C=C(C)COCC[N-]S(=O)(=O)c1ccc(F)cc1Br	ZINC000125706250	543896777	/nfs/dbraw/zinc/89/67/77/543896777.db2.gz	SVAOYJCVNAMTOA-UHFFFAOYSA-N	-1	3	352.225	2.459	20	30		FEEDHM
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C	ZINC000128024757	544028223	/nfs/dbraw/zinc/02/82/23/544028223.db2.gz	RYZYVPBEIOXBCC-LJQANCHMSA-N	-1	3	365.433	2.113	20	30		FEEDHM
CCc1ccc([C@H](COC)NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)o1	ZINC000133521612	544273390	/nfs/dbraw/zinc/27/33/90/544273390.db2.gz	HFPFJXLCSRMPKX-KRWDZBQOSA-N	-1	3	371.437	2.455	20	30		FEEDHM
N#CCSCC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1	ZINC000153956867	544845511	/nfs/dbraw/zinc/84/55/11/544845511.db2.gz	IIEGARLLZIDFLN-CQSZACIVSA-N	-1	3	353.875	2.383	20	30		FEEDHM
CC(C)SCCOC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000803371733	674238813	/nfs/dbraw/zinc/23/88/13/674238813.db2.gz	HBHMSEUGIKDZPN-GFCCVEGCSA-N	-1	3	370.496	2.189	20	30		FEEDHM
C[C@H]1CN(CC2CCN(C(=O)c3ccc(C#N)c([O-])c3)CC2)C[C@H](C)O1	ZINC000187988570	328058564	/nfs/dbraw/zinc/05/85/64/328058564.db2.gz	XXEVPTKECVYBQH-GJZGRUSLSA-N	-1	3	357.454	2.225	20	30		FEEDHM
Cc1cccc2c1[n-]cc(C(=O)N1CCN(c3ccc(C#N)cn3)CC1)c2=O	ZINC000188529435	328093200	/nfs/dbraw/zinc/09/32/00/328093200.db2.gz	HWQRDKDAMFFXLW-UHFFFAOYSA-N	-1	3	373.416	2.478	20	30		FEEDHM
N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H]1[C@@H]2CCO[C@H]2C12CCC2	ZINC000245555676	328557770	/nfs/dbraw/zinc/55/77/70/328557770.db2.gz	RQNCHVNLBWKHBF-COLVAYQJSA-N	-1	3	352.843	2.448	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCC[C@@H](O)C2)c(C(F)(F)F)c1	ZINC000121847340	326371586	/nfs/dbraw/zinc/37/15/86/326371586.db2.gz	HFGBUMVIVKXVJO-VXGBXAGGSA-N	-1	3	362.373	2.406	20	30		FEEDHM
CCc1cnc(CC[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)s1	ZINC000122961166	326415522	/nfs/dbraw/zinc/41/55/22/326415522.db2.gz	DDMGWSMBTJMVKI-UHFFFAOYSA-N	-1	3	366.424	2.006	20	30		FEEDHM
COCCC1(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CCCC1	ZINC000126539293	326490830	/nfs/dbraw/zinc/49/08/30/326490830.db2.gz	KLALYHHIACONBL-UHFFFAOYSA-N	-1	3	367.427	2.342	20	30		FEEDHM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1[C@@H]2Cc3ccccc3[C@@H]21	ZINC000126862164	326496394	/nfs/dbraw/zinc/49/63/94/326496394.db2.gz	LQRQXHHPBRIXPB-OAUYIBNBSA-N	-1	3	355.375	2.083	20	30		FEEDHM
COc1cccc(COCC[N-]S(=O)(=O)c2ccc(F)cc2C#N)c1	ZINC000154686007	326766440	/nfs/dbraw/zinc/76/64/40/326766440.db2.gz	JSNBEVPDOPGJQK-UHFFFAOYSA-N	-1	3	364.398	2.201	20	30		FEEDHM
Cc1ccc2c(c1)[C@@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)CO2	ZINC000156113192	326818110	/nfs/dbraw/zinc/81/81/10/326818110.db2.gz	OZLBMCXNRHUVTI-KRWDZBQOSA-N	-1	3	351.406	2.354	20	30		FEEDHM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1cccc(F)c1	ZINC000156833161	326845276	/nfs/dbraw/zinc/84/52/76/326845276.db2.gz	IXYOROLRXFSVCQ-GXTWGEPZSA-N	-1	3	361.354	2.440	20	30		FEEDHM
CCc1cc(=O)[n-]c(CN2CCC(C(=O)Nc3cccc(C#N)c3)CC2)n1	ZINC000268266872	329402981	/nfs/dbraw/zinc/40/29/81/329402981.db2.gz	YXVMTARCFCWECE-UHFFFAOYSA-N	-1	3	365.437	2.467	20	30		FEEDHM
CCOC(=O)Nc1ccc([N-]S(=O)(=O)C[C@@H]2CCCCO2)cc1C#N	ZINC000269708777	329542275	/nfs/dbraw/zinc/54/22/75/329542275.db2.gz	PNKRNGGSLVUFPL-AWEZNQCLSA-N	-1	3	367.427	2.437	20	30		FEEDHM
COC(=O)[C@@H]1CCCC[C@@]1(C)NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C	ZINC000270431073	329600187	/nfs/dbraw/zinc/60/01/87/329600187.db2.gz	WBJDDNLYJJGGBF-OXJNMPFZSA-N	-1	3	373.453	2.446	20	30		FEEDHM
N#C[C@@H]1CN(Cc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)CCO1	ZINC000155605898	545548642	/nfs/dbraw/zinc/54/86/42/545548642.db2.gz	MVBBCCOMLDAXDU-CYBMUJFWSA-N	-1	3	352.419	2.376	20	30		FEEDHM
C=CCOc1cccc(NC(=O)C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)c1	ZINC000472969492	538726677	/nfs/dbraw/zinc/72/66/77/538726677.db2.gz	PDUPIFWNDUZSRD-HNNXBMFYSA-N	-1	3	356.382	2.403	20	30		FEEDHM
COC(=O)C1([N-]S(=O)(=O)c2ccc(F)cc2C#N)CCC(C)CC1	ZINC000156607493	545638922	/nfs/dbraw/zinc/63/89/22/545638922.db2.gz	UKEFHJVOGZMKBI-UHFFFAOYSA-N	-1	3	354.403	2.098	20	30		FEEDHM
CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)NCCCCC#N)ccc1F	ZINC000171502389	546211768	/nfs/dbraw/zinc/21/17/68/546211768.db2.gz	IOPVZXRJAWVMBG-UHFFFAOYSA-N	-1	3	355.435	2.326	20	30		FEEDHM
COC(=O)CN(CC#N)Cc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1	ZINC000174569823	546299153	/nfs/dbraw/zinc/29/91/53/546299153.db2.gz	WDRFVAGMGIGDLT-UHFFFAOYSA-N	-1	3	368.418	2.150	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-][C@H](CO)c1c(Cl)cccc1Cl	ZINC000481482090	561233617	/nfs/dbraw/zinc/23/36/17/561233617.db2.gz	WHGQZQZNUUUABK-GFCCVEGCSA-N	-1	3	372.233	2.272	20	30		FEEDHM
CCCn1c(=O)[n-]c(=O)c2c(C(=O)N[C@@H](CC)CC#N)cc(C(C)C)nc21	ZINC000183889681	547734559	/nfs/dbraw/zinc/73/45/59/547734559.db2.gz	KHIOFZLCBSFNGZ-LBPRGKRZSA-N	-1	3	371.441	2.040	20	30		FEEDHM
COc1cc(Cl)cc(CN2CCN(c3nccnc3C#N)C[C@H]2C)c1[O-]	ZINC000184702551	547866988	/nfs/dbraw/zinc/86/69/88/547866988.db2.gz	SWXAIJIGEMKQAP-GFCCVEGCSA-N	-1	3	373.844	2.427	20	30		FEEDHM
CCOC(=O)[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)[C@H](C)CC	ZINC000184983290	547912028	/nfs/dbraw/zinc/91/20/28/547912028.db2.gz	QCGOKJSLYVPBGH-QMTHXVAHSA-N	-1	3	358.847	2.468	20	30		FEEDHM
N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c1	ZINC000185500198	547994365	/nfs/dbraw/zinc/99/43/65/547994365.db2.gz	HWXHQOJZYWXMAO-DFBGVHRSSA-N	-1	3	352.843	2.448	20	30		FEEDHM
Cc1ccccc1CS(=O)(=O)[N-]c1cnn(-c2ncccc2C#N)c1	ZINC000185969371	548066616	/nfs/dbraw/zinc/06/66/16/548066616.db2.gz	RFABSGNBMWSPDU-UHFFFAOYSA-N	-1	3	353.407	2.389	20	30		FEEDHM
C=CCc1cccc(C(C)C)c1NC(=O)C[N-]S(=O)(=O)CCOCC	ZINC000188073638	548270789	/nfs/dbraw/zinc/27/07/89/548270789.db2.gz	SELUIGZKQPSMLD-UHFFFAOYSA-N	-1	3	368.499	2.433	20	30		FEEDHM
C=CCNC(=O)C[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1	ZINC000190842769	548334858	/nfs/dbraw/zinc/33/48/58/548334858.db2.gz	KRCFWYGLVZTQGV-UHFFFAOYSA-N	-1	3	372.874	2.099	20	30		FEEDHM
N#Cc1ccc(F)c(CS(=O)(=O)[N-]c2ccc3c(c2)N(C(N)=O)CC3)c1	ZINC000487352197	561368096	/nfs/dbraw/zinc/36/80/96/561368096.db2.gz	GQQIAADDMUXWCB-UHFFFAOYSA-N	-1	3	374.397	2.080	20	30		FEEDHM
C=CC[C@@H](CO)C[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F	ZINC000489717550	561417734	/nfs/dbraw/zinc/41/77/34/561417734.db2.gz	HDFQNAHZVVGVLP-SECBINFHSA-N	-1	3	357.325	2.187	20	30		FEEDHM
C[C@H](c1ccccc1)[C@@H]([N-]S(=O)(=O)CC1(C#N)CCCCC1)C(N)=O	ZINC000490103125	561426671	/nfs/dbraw/zinc/42/66/71/561426671.db2.gz	MHLOOCPSOPKMDA-GDBMZVCRSA-N	-1	3	363.483	2.037	20	30		FEEDHM
C=CCCCS(=O)(=O)[N-][C@@H]1CN(c2ccc(Br)cc2)C1=O	ZINC000490450190	561433460	/nfs/dbraw/zinc/43/34/60/561433460.db2.gz	AGPUSPOBRHJVJN-CYBMUJFWSA-N	-1	3	373.272	2.050	20	30		FEEDHM
C=CCn1c(=O)c2ccc(C(=O)N3CCC[C@@H]3CN(C)C)cc2[n-]c1=S	ZINC000263905296	549953855	/nfs/dbraw/zinc/95/38/55/549953855.db2.gz	FZHHSFGDLNHASE-CQSZACIVSA-N	-1	3	372.494	2.037	20	30		FEEDHM
C#CCC[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1OC	ZINC000264983787	550004355	/nfs/dbraw/zinc/00/43/55/550004355.db2.gz	VCLXRVIFMBKTBY-UHFFFAOYSA-N	-1	3	352.637	2.413	20	30		FEEDHM
Cc1ncc(CO)c(/C=N/[C@@H]2CCN(c3cccc(Cl)c3)C2=O)c1[O-]	ZINC000267314158	550029281	/nfs/dbraw/zinc/02/92/81/550029281.db2.gz	CPUKEYQELCADFB-MSGYXIIISA-N	-1	3	359.813	2.466	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc2c1oc(=O)n2C	ZINC000269983158	550240827	/nfs/dbraw/zinc/24/08/27/550240827.db2.gz	YWCVOLOQSHLPCF-UHFFFAOYSA-N	-1	3	366.377	2.292	20	30		FEEDHM
CCc1nc([C@@H](C)[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)n[nH]1	ZINC000270606883	550288479	/nfs/dbraw/zinc/28/84/79/550288479.db2.gz	XFYLGDLWVULTSQ-MRVPVSSYSA-N	-1	3	373.360	2.297	20	30		FEEDHM
CS(=O)(=O)[N-]c1cc(NC(=O)COc2ccccc2C#N)ccc1F	ZINC000494040502	561461293	/nfs/dbraw/zinc/46/12/93/561461293.db2.gz	CWNDGDJLPHGWLK-UHFFFAOYSA-N	-1	3	363.370	2.086	20	30		FEEDHM
Cc1nc(C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)ccc1[C@@H](C)O	ZINC000274758678	550552571	/nfs/dbraw/zinc/55/25/71/550552571.db2.gz	MZLIFJNDVBTARN-LLVKDONJSA-N	-1	3	365.842	2.447	20	30		FEEDHM
CC[C@@H]([N-]S(=O)(=O)c1cccnc1C#N)[C@H](O)c1c(F)cccc1F	ZINC000276944624	550614110	/nfs/dbraw/zinc/61/41/10/550614110.db2.gz	BCMZPHBRULWZSZ-WBMJQRKESA-N	-1	3	367.377	2.022	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-]C[C@@H]1CCCO[C@H]1c1ccccc1	ZINC000276998119	550619876	/nfs/dbraw/zinc/61/98/76/550619876.db2.gz	JNJOPQSBJDFFSN-YJBOKZPZSA-N	-1	3	357.435	2.399	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-]C[C@H](c1ccccc1)N1CCCC1	ZINC000277028705	550623772	/nfs/dbraw/zinc/62/37/72/550623772.db2.gz	NUKNSKFNLHKRFN-QGZVFWFLSA-N	-1	3	356.451	2.069	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-]CCCCC(=O)OCc1ccccc1	ZINC000277182179	550640779	/nfs/dbraw/zinc/64/07/79/550640779.db2.gz	NOWJVCPAVPGERC-UHFFFAOYSA-N	-1	3	373.434	2.145	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-]Cc1ccccc1N1CCCCC1	ZINC000277186109	550641256	/nfs/dbraw/zinc/64/12/56/550641256.db2.gz	OCBBMQUAHJSSQP-UHFFFAOYSA-N	-1	3	356.451	2.422	20	30		FEEDHM
CCOc1cnc(-c2noc(CCc3c(C)[n-]c(=O)c(C#N)c3C)n2)cn1	ZINC000277747406	550709354	/nfs/dbraw/zinc/70/93/54/550709354.db2.gz	DZXXBSXABUBUEU-UHFFFAOYSA-N	-1	3	366.381	2.300	20	30		FEEDHM
N#Cc1cc(NC(=O)C(=O)[N-]CC(F)(F)F)ccc1OC(F)(F)F	ZINC000281679780	551129585	/nfs/dbraw/zinc/12/95/85/551129585.db2.gz	AAADZHFRZFBMJO-UHFFFAOYSA-N	-1	3	355.194	2.074	20	30		FEEDHM
C#CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1c(C)nn(C)c1Cl	ZINC000285332554	551739832	/nfs/dbraw/zinc/73/98/32/551739832.db2.gz	NZXOLOAYQWNLQW-CQSZACIVSA-N	-1	3	351.859	2.295	20	30		FEEDHM
Cc1ncc(CO)c(/C=N/CCCn2cc(Br)cn2)c1[O-]	ZINC000287234510	551979452	/nfs/dbraw/zinc/97/94/52/551979452.db2.gz	OGFRDCWDUUNHEF-FRKPEAEDSA-N	-1	3	353.220	2.056	20	30		FEEDHM
Cc1cnn([C@@H]2CCN(C(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)C2)c1	ZINC000290323419	552460311	/nfs/dbraw/zinc/46/03/11/552460311.db2.gz	AYQDOJCBQVHXJN-OAHLLOKOSA-N	-1	3	353.426	2.187	20	30		FEEDHM
N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](CO)Cc1ccc(F)cc1	ZINC000501189585	561592118	/nfs/dbraw/zinc/59/21/18/561592118.db2.gz	ZDUPWZASXDFPEV-OAHLLOKOSA-N	-1	3	368.817	2.233	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H](O)Cc1cccc(F)c1	ZINC000295422994	553004704	/nfs/dbraw/zinc/00/47/04/553004704.db2.gz	PRCUNFNPPQIWGJ-INIZCTEOSA-N	-1	3	371.412	2.067	20	30		FEEDHM
CCOC(=O)c1nnc(C2CCN(C(=O)[C@@]3(C#N)CC34CCCC4)CC2)[n-]1	ZINC000295619422	553034615	/nfs/dbraw/zinc/03/46/15/553034615.db2.gz	OITOGKQOOXUHKI-IBGZPJMESA-N	-1	3	371.441	2.161	20	30		FEEDHM
CCOC(=O)c1nc(C2CCN(C(=O)[C@@]3(C#N)CC34CCCC4)CC2)n[n-]1	ZINC000295619422	553034618	/nfs/dbraw/zinc/03/46/18/553034618.db2.gz	OITOGKQOOXUHKI-IBGZPJMESA-N	-1	3	371.441	2.161	20	30		FEEDHM
C=CCC(C)(C)CNC(=O)N1CCC(c2nnc(C(=O)OCC)[n-]2)CC1	ZINC000297211287	553264099	/nfs/dbraw/zinc/26/40/99/553264099.db2.gz	FBMKBHXOWAWQKA-UHFFFAOYSA-N	-1	3	363.462	2.473	20	30		FEEDHM
C=CCC(C)(C)CNC(=O)N1CCC(c2n[n-]c(C(=O)OCC)n2)CC1	ZINC000297211287	553264101	/nfs/dbraw/zinc/26/41/01/553264101.db2.gz	FBMKBHXOWAWQKA-UHFFFAOYSA-N	-1	3	363.462	2.473	20	30		FEEDHM
CC[C@@](C)(C#N)C(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1	ZINC000503689307	561646800	/nfs/dbraw/zinc/64/68/00/561646800.db2.gz	SIGSKLIYMWBDEH-ZDUSSCGKSA-N	-1	3	363.361	2.406	20	30		FEEDHM
C[C@@H](CN1CCCCC1)NC(=O)N=c1[n-]nc(CC(F)(F)F)s1	ZINC000331189596	554228104	/nfs/dbraw/zinc/22/81/04/554228104.db2.gz	WBGYMEQAUTUGNJ-VIFPVBQESA-N	-1	3	351.398	2.843	20	30		FEEDHM
N#Cc1ccc(CNCC[N-]S(=O)(=O)c2ccc(F)cc2Cl)cc1	ZINC000509406354	561798221	/nfs/dbraw/zinc/79/82/21/561798221.db2.gz	WDFMZXMTXDHFMY-UHFFFAOYSA-N	-1	3	367.833	2.419	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(-c2nc(-c3ncoc3C)no2)ccc1F	ZINC000351019016	554830042	/nfs/dbraw/zinc/83/00/42/554830042.db2.gz	MQIINMQUQGTFFZ-UHFFFAOYSA-N	-1	3	364.358	2.303	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)c1cnn(C)c1)c1nc(-c2ccc(C#N)cc2)cs1	ZINC000361811577	554936027	/nfs/dbraw/zinc/93/60/27/554936027.db2.gz	INBZZLYZXJRQST-NSHDSACASA-N	-1	3	373.463	2.455	20	30		FEEDHM
CCOC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)Cc1ccc(C#N)cc1	ZINC000511858865	561883038	/nfs/dbraw/zinc/88/30/38/561883038.db2.gz	KRVNMOPUKQEXFL-GOSISDBHSA-N	-1	3	372.446	2.152	20	30		FEEDHM
Cn1ncc2c1ncc(C(=O)Nc1ncccc1OCCCC#N)c2[O-]	ZINC000512048889	561890157	/nfs/dbraw/zinc/89/01/57/561890157.db2.gz	HRNYBVHYJLFKRK-UHFFFAOYSA-N	-1	3	352.354	2.004	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@H](Oc2ccncc2)C1	ZINC000365491453	555589644	/nfs/dbraw/zinc/58/96/44/555589644.db2.gz	CKLPJGQSHWXQSF-MRXNPFEDSA-N	-1	3	366.421	2.283	20	30		FEEDHM
C#CCCCS(=O)(=O)[N-][C@H](c1noc(C)n1)c1ccc(Cl)cc1	ZINC000367866767	556159240	/nfs/dbraw/zinc/15/92/40/556159240.db2.gz	VAOUZWDRHJIGKQ-AWEZNQCLSA-N	-1	3	353.831	2.454	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCN(C(=O)C3CCCCC3)C2)s1	ZINC000369163524	556522294	/nfs/dbraw/zinc/52/22/94/556522294.db2.gz	CEQDZEXYWXTJLE-ZDUSSCGKSA-N	-1	3	367.496	2.079	20	30		FEEDHM
COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C)c1ccc(OC)cc1	ZINC000516942085	562066340	/nfs/dbraw/zinc/06/63/40/562066340.db2.gz	ZNMQRLWOJVXJLB-KRWDZBQOSA-N	-1	3	374.418	2.068	20	30		FEEDHM
Cc1cc(F)ccc1N1CCC[C@@H]([N-]S(=O)(=O)CCCCC#N)C1=O	ZINC000371739833	557279810	/nfs/dbraw/zinc/27/98/10/557279810.db2.gz	QGSJKMAKHRRGRL-OAHLLOKOSA-N	-1	3	367.446	2.243	20	30		FEEDHM
CCN(C[C@@H](C)C#N)S(=O)(=O)[N-][C@@H](C)c1noc(-c2ccccc2)n1	ZINC000374458612	557886529	/nfs/dbraw/zinc/88/65/29/557886529.db2.gz	LVXCNWQYJKHBFC-STQMWFEESA-N	-1	3	363.443	2.114	20	30		FEEDHM
N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@H]1CCO[C@@H]1C1CC1	ZINC000376388444	558166924	/nfs/dbraw/zinc/16/69/24/558166924.db2.gz	YORKQSYOQFOHPT-GXTWGEPZSA-N	-1	3	371.256	2.167	20	30		FEEDHM
O=C([N-][C@H](c1c(F)cccc1F)C(F)(F)F)C(=O)N[C@H]1C[C@@H]1C(F)F	ZINC000411541137	558913629	/nfs/dbraw/zinc/91/36/29/558913629.db2.gz	OINDUKXENQZAHW-BUMCKTDNSA-N	-1	3	372.240	2.454	20	30		FEEDHM
C[C@@]1(CO)CCC[C@H]1[N-]S(=O)(=O)c1cc(Br)ccc1C#N	ZINC000416405945	559310447	/nfs/dbraw/zinc/31/04/47/559310447.db2.gz	DBWFJUXTFOUBIA-KGLIPLIRSA-N	-1	3	373.272	2.150	20	30		FEEDHM
N#Cc1ccc(Br)cc1S(=O)(=O)[N-]C[C@@H]1CCCS1	ZINC000416423395	559312149	/nfs/dbraw/zinc/31/21/49/559312149.db2.gz	UWZNOCLAYPPEPA-NSHDSACASA-N	-1	3	361.286	2.495	20	30		FEEDHM
N#Cc1ccc(Br)cc1S(=O)(=O)[N-]CCC[C@@H]1CCOC1	ZINC000416496697	559317741	/nfs/dbraw/zinc/31/77/41/559317741.db2.gz	QTALIQOAHBUHPP-LLVKDONJSA-N	-1	3	373.272	2.416	20	30		FEEDHM
N#CC1(CNC(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)CCC1	ZINC000419647541	559451620	/nfs/dbraw/zinc/45/16/20/559451620.db2.gz	ODUDPGURSBICPY-UHFFFAOYSA-N	-1	3	356.426	2.446	20	30		FEEDHM
COC1([C@H](C)[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)CCOCC1	ZINC000420768209	559503320	/nfs/dbraw/zinc/50/33/20/559503320.db2.gz	WCACDUHQKOALSD-NSHDSACASA-N	-1	3	358.847	2.074	20	30		FEEDHM
COC(=O)[C@@H](CNC(=O)Cc1ccc(C#N)cc1)Cc1ccc([O-])c(F)c1	ZINC000422050528	559562928	/nfs/dbraw/zinc/56/29/28/559562928.db2.gz	XNBNFUPDSJCWSO-MRXNPFEDSA-N	-1	3	370.380	2.094	20	30		FEEDHM
CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@@H]2CC[C@H](C#N)C2)cc1OC	ZINC000424108639	559655007	/nfs/dbraw/zinc/65/50/07/559655007.db2.gz	RQCLKJFWLGKJNX-NWDGAFQWSA-N	-1	3	366.443	2.271	20	30		FEEDHM
C=CCn1cc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)nn1	ZINC000425176484	559689670	/nfs/dbraw/zinc/68/96/70/559689670.db2.gz	AAUCILUUGPKZOS-UHFFFAOYSA-N	-1	3	352.363	2.023	20	30		FEEDHM
C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000425182316	559689881	/nfs/dbraw/zinc/68/98/81/559689881.db2.gz	ZWMFYZXIBATOLJ-AAEUAGOBSA-N	-1	3	360.357	2.446	20	30		FEEDHM
COc1cc(C(=O)Nc2ccccc2-n2cnc(C#N)n2)cc(OC)c1[O-]	ZINC000426814628	559742404	/nfs/dbraw/zinc/74/24/04/559742404.db2.gz	HVOWQTUTLOYVKB-UHFFFAOYSA-N	-1	3	365.349	2.114	20	30		FEEDHM
N#Cc1ccc(C2=CCN(C(=O)CNC(=O)c3cccc([O-])c3)CC2)cc1	ZINC000428013937	559767542	/nfs/dbraw/zinc/76/75/42/559767542.db2.gz	KODFSYGQQAHXFS-UHFFFAOYSA-N	-1	3	361.401	2.310	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-]CCc1ccc(OC(F)(F)F)cc1	ZINC000428232119	559771870	/nfs/dbraw/zinc/77/18/70/559771870.db2.gz	YKFFBLLOJDQYLB-UHFFFAOYSA-N	-1	3	371.340	2.373	20	30		FEEDHM
CCN(CC)[C@@H](C[N-]S(=O)(=O)c1cccnc1C#N)c1ccsc1	ZINC000428238519	559771992	/nfs/dbraw/zinc/77/19/92/559771992.db2.gz	NOPWXTCXJOEZOZ-HNNXBMFYSA-N	-1	3	364.496	2.376	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-]CCOc1ccc(C(F)(F)F)cc1	ZINC000428238839	559772098	/nfs/dbraw/zinc/77/20/98/559772098.db2.gz	FFJPNBFFEXAAKK-UHFFFAOYSA-N	-1	3	371.340	2.329	20	30		FEEDHM
C=CCOc1ccccc1CNC(=O)N=c1cc(OC(F)F)n(C)[n-]1	ZINC000429661164	559803509	/nfs/dbraw/zinc/80/35/09/559803509.db2.gz	PDAZGAGDNPJMMK-UHFFFAOYSA-N	-1	3	352.341	2.908	20	30		FEEDHM
Cc1ccc2c(CN(CCC#N)CCN3CCOCC3)ccc([O-])c2n1	ZINC000429685247	559804094	/nfs/dbraw/zinc/80/40/94/559804094.db2.gz	ONTVGAQABIIEFU-UHFFFAOYSA-N	-1	3	354.454	2.297	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)c1cccc(C#N)c1)c1ncc(Br)cn1	ZINC000431630622	559842982	/nfs/dbraw/zinc/84/29/82/559842982.db2.gz	MIFLNNIKFVTATI-VIFPVBQESA-N	-1	3	367.228	2.150	20	30		FEEDHM
C/C=C/C[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C(=O)OCC	ZINC000433879119	559889493	/nfs/dbraw/zinc/88/94/93/559889493.db2.gz	KLUHKGDLRJCPCJ-LQPUYASZSA-N	-1	3	356.831	2.388	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)c1ccc(C#N)c(Br)c1)c1ccon1	ZINC000433882994	559889625	/nfs/dbraw/zinc/88/96/25/559889625.db2.gz	CGAWQYJQANHZCX-QMMMGPOBSA-N	-1	3	356.201	2.348	20	30		FEEDHM
N#C[C@H](CCc1ccccc1)C(=O)NCCNC(=O)c1ccc([O-])cc1	ZINC000436842454	559954015	/nfs/dbraw/zinc/95/40/15/559954015.db2.gz	WOFQCLMIXLNKLY-KRWDZBQOSA-N	-1	3	351.406	2.011	20	30		FEEDHM
C=CCCC[C@H](C)N1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1	ZINC000439290057	559991517	/nfs/dbraw/zinc/99/15/17/559991517.db2.gz	SLWHANAHEPIHHT-LBPRGKRZSA-N	-1	3	357.442	2.182	20	30		FEEDHM
COC(=O)c1c(CC(C)C)csc1[N-]C(=O)C(=O)N(C)[C@H](C)CC#N	ZINC000439509612	559996036	/nfs/dbraw/zinc/99/60/36/559996036.db2.gz	ZBVQPLAFCHZVQL-LLVKDONJSA-N	-1	3	365.455	2.432	20	30		FEEDHM
COC(=O)[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N)CC(C)C	ZINC000443253434	560076337	/nfs/dbraw/zinc/07/63/37/560076337.db2.gz	GIEMSNCOWGETFA-GFCCVEGCSA-N	-1	3	358.847	2.325	20	30		FEEDHM
CCOC(=O)[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)[C@@H](C)CC	ZINC000443304085	560078749	/nfs/dbraw/zinc/07/87/49/560078749.db2.gz	ADNGXMWZWLCXIA-IINYFYTJSA-N	-1	3	358.847	2.468	20	30		FEEDHM
O=C([N-]CC(F)(F)F)C(=O)N[C@H](c1cccc(F)c1F)C(F)(F)F	ZINC000444365778	560111815	/nfs/dbraw/zinc/11/18/15/560111815.db2.gz	CRZWLAHIGFSREW-MRVPVSSYSA-N	-1	3	364.192	2.363	20	30		FEEDHM
C=CC[C@H]1N(C(=O)c2ccc(S(=O)(=O)[N-]C)nc2)CCCC1(C)C	ZINC000444634797	560117372	/nfs/dbraw/zinc/11/73/72/560117372.db2.gz	ZXHXUBZGFKOZBM-CQSZACIVSA-N	-1	3	351.472	2.197	20	30		FEEDHM
N#C[C@@H](c1ccccc1)N1CCN(C(=O)Cc2ccc([O-])c(F)c2)CC1	ZINC000448612519	560192792	/nfs/dbraw/zinc/19/27/92/560192792.db2.gz	AJRZCYOQEMDNHF-SFHVURJKSA-N	-1	3	353.397	2.483	20	30		FEEDHM
C=CCNC(=O)c1cccc(S(=O)(=O)[N-]C(C)(C)C(F)(F)F)c1	ZINC000451032414	560283701	/nfs/dbraw/zinc/28/37/01/560283701.db2.gz	PMICPXGUSABQPO-UHFFFAOYSA-N	-1	3	350.362	2.222	20	30		FEEDHM
CO[C@H](C[N-]S(=O)(=O)Cc1cc(C#N)ccc1F)Cc1ccccc1	ZINC000451662607	560320464	/nfs/dbraw/zinc/32/04/64/560320464.db2.gz	KZUUWFOJSBCUCA-KRWDZBQOSA-N	-1	3	362.426	2.374	20	30		FEEDHM
C[C@H](Cc1cnn(C)c1)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000451969538	560341261	/nfs/dbraw/zinc/34/12/61/560341261.db2.gz	QXHFOUBFKQGIGW-SNVBAGLBSA-N	-1	3	372.372	2.220	20	30		FEEDHM
CC[C@H](O)[C@H](CC)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000451977292	560341628	/nfs/dbraw/zinc/34/16/28/560341628.db2.gz	NYFMGDSUCGECLY-RYUDHWBXSA-N	-1	3	350.362	2.405	20	30		FEEDHM
C=C(C)CCNC(=O)C(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1	ZINC000453896669	560411485	/nfs/dbraw/zinc/41/14/85/560411485.db2.gz	UVTCDDMHRPXNFK-UHFFFAOYSA-N	-1	3	354.410	2.433	20	30		FEEDHM
CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@@H]2CCC[C@H]2C#N)cc1OC	ZINC000461436678	560771560	/nfs/dbraw/zinc/77/15/60/560771560.db2.gz	PWUNQGIPIMAMPB-WCQYABFASA-N	-1	3	366.443	2.271	20	30		FEEDHM
COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)[C@H](C)c1cccc(C#N)c1	ZINC000464456180	560842407	/nfs/dbraw/zinc/84/24/07/560842407.db2.gz	AXZFWZZUQIGZJC-SNVBAGLBSA-N	-1	3	355.350	2.202	20	30		FEEDHM
C=C[C@@H](C)NC(=O)c1cc(C2CC2)nc2c1c(=O)[n-]c(=O)n2CC(C)C	ZINC000465145281	560858981	/nfs/dbraw/zinc/85/89/81/560858981.db2.gz	NMJYEYNMYCELPO-LLVKDONJSA-N	-1	3	356.426	2.335	20	30		FEEDHM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]Cc1cccc2cc[nH]c21	ZINC000466750738	560894273	/nfs/dbraw/zinc/89/42/73/560894273.db2.gz	ALQPXVMCEZAFBK-UHFFFAOYSA-N	-1	3	356.363	2.426	20	30		FEEDHM
CCn1c2ccc(S(=O)(=O)[N-]c3ccc(C#N)cc3F)cc2oc1=O	ZINC000466974257	560900602	/nfs/dbraw/zinc/90/06/02/560900602.db2.gz	RSZMIGVDJDWMMX-UHFFFAOYSA-N	-1	3	361.354	2.426	20	30		FEEDHM
C=CCN(Cc1nc(CC)cc(=O)[n-]1)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000468268156	560925908	/nfs/dbraw/zinc/92/59/08/560925908.db2.gz	OUYZONKGJMCEIS-CQSZACIVSA-N	-1	3	365.441	2.470	20	30		FEEDHM
C=CCn1c(=O)[n-]nc1S[C@@H](C)C(=O)Nc1ccc(OC)c(OC)c1	ZINC000470817714	560990736	/nfs/dbraw/zinc/99/07/36/560990736.db2.gz	RKCVYHTYKQDVGH-JTQLQIEISA-N	-1	3	364.427	2.306	20	30		FEEDHM
COC(=O)[C@@H](C[N-]S(=O)(=O)CC1(C#N)CCCCC1)c1ccccc1	ZINC000476320962	561116505	/nfs/dbraw/zinc/11/65/05/561116505.db2.gz	NTHPTWHAGYDQRX-INIZCTEOSA-N	-1	3	364.467	2.337	20	30		FEEDHM
C[C@@]1(C[N-]S(=O)(=O)c2ccc(C#N)s2)COc2ccccc2O1	ZINC000528454870	562330308	/nfs/dbraw/zinc/33/03/08/562330308.db2.gz	ZRNKIFRIDNNBIY-OAHLLOKOSA-N	-1	3	350.421	2.128	20	30		FEEDHM
N#CC(=C([O-])c1ccc(Cn2ccnn2)cc1)c1nnc2n1CCCCC2	ZINC000528931635	562353372	/nfs/dbraw/zinc/35/33/72/562353372.db2.gz	YEETYFJAIFAQML-MRXNPFEDSA-N	-1	3	361.409	2.134	20	30		FEEDHM
N#Cc1ccc(C2(NC(=O)c3cc(F)cc4nn[n-]c43)CCOCC2)cc1	ZINC000530059688	562396369	/nfs/dbraw/zinc/39/63/69/562396369.db2.gz	GIEJSCXXIFANEH-UHFFFAOYSA-N	-1	3	365.368	2.404	20	30		FEEDHM
N#Cc1ccc(C2(NC(=O)c3cc(F)cc4[n-]nnc43)CCOCC2)cc1	ZINC000530059688	562396370	/nfs/dbraw/zinc/39/63/70/562396370.db2.gz	GIEJSCXXIFANEH-UHFFFAOYSA-N	-1	3	365.368	2.404	20	30		FEEDHM
N#Cc1ccc(C2(NC(=O)c3cc(F)cc4n[n-]nc43)CCOCC2)cc1	ZINC000530059688	562396371	/nfs/dbraw/zinc/39/63/71/562396371.db2.gz	GIEJSCXXIFANEH-UHFFFAOYSA-N	-1	3	365.368	2.404	20	30		FEEDHM
C=C(C)COCC[N-]S(=O)(=O)c1cccc(Br)c1F	ZINC000541537895	562614868	/nfs/dbraw/zinc/61/48/68/562614868.db2.gz	UITFOKRKPFCDQJ-UHFFFAOYSA-N	-1	3	352.225	2.459	20	30		FEEDHM
O=S(=O)([N-]CC[C@@H](O)C(F)(F)F)c1ccc(C(F)(F)F)c(F)c1	ZINC000541772038	562619715	/nfs/dbraw/zinc/61/97/15/562619715.db2.gz	UWLTWSIWTVLMPB-SECBINFHSA-N	-1	3	369.258	2.436	20	30		FEEDHM
COC(=O)c1sc2[n-]c(CN(C)[C@H]3CCC[C@@H]3C#N)nc(=O)c2c1C	ZINC000602977507	568036324	/nfs/dbraw/zinc/03/63/24/568036324.db2.gz	CDQUVTRVOQUXLR-MNOVXSKESA-N	-1	3	360.439	2.204	20	30		FEEDHM
COC(=O)[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N)CC1CC1	ZINC000569854133	568430939	/nfs/dbraw/zinc/43/09/39/568430939.db2.gz	NPXFFUGSPZHWCC-LBPRGKRZSA-N	-1	3	356.831	2.079	20	30		FEEDHM
N#C[C@@H](NC(=O)COc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1	ZINC000737675110	598826237	/nfs/dbraw/zinc/82/62/37/598826237.db2.gz	MUADAIVYZIBRFX-OAHLLOKOSA-N	-1	3	368.784	2.280	20	30		FEEDHM
N#C[C@@H](NC(=O)COc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)cc1	ZINC000737675110	598826239	/nfs/dbraw/zinc/82/62/39/598826239.db2.gz	MUADAIVYZIBRFX-OAHLLOKOSA-N	-1	3	368.784	2.280	20	30		FEEDHM
N#Cc1ccc(NC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)cc1-c1nnn[n-]1	ZINC000737716180	598922180	/nfs/dbraw/zinc/92/21/80/598922180.db2.gz	LZEHXMMPQIZRKJ-HNNXBMFYSA-N	-1	3	366.768	2.334	20	30		FEEDHM
N#Cc1ccc(NC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)cc1-c1nn[n-]n1	ZINC000737716180	598922181	/nfs/dbraw/zinc/92/21/81/598922181.db2.gz	LZEHXMMPQIZRKJ-HNNXBMFYSA-N	-1	3	366.768	2.334	20	30		FEEDHM
CCSc1ccc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cn1	ZINC000736666033	598929886	/nfs/dbraw/zinc/92/98/86/598929886.db2.gz	KNWAVXXKWNTJJD-UHFFFAOYSA-N	-1	3	351.395	2.498	20	30		FEEDHM
CCSc1ccc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cn1	ZINC000736666033	598929887	/nfs/dbraw/zinc/92/98/87/598929887.db2.gz	KNWAVXXKWNTJJD-UHFFFAOYSA-N	-1	3	351.395	2.498	20	30		FEEDHM
C#CCOc1ccccc1CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1	ZINC000735388231	598943527	/nfs/dbraw/zinc/94/35/27/598943527.db2.gz	UUYYTNUPEVQXLZ-UHFFFAOYSA-N	-1	3	350.338	2.399	20	30		FEEDHM
C#CCOc1ccccc1CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1	ZINC000735388231	598943529	/nfs/dbraw/zinc/94/35/29/598943529.db2.gz	UUYYTNUPEVQXLZ-UHFFFAOYSA-N	-1	3	350.338	2.399	20	30		FEEDHM
CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1ccc2c(c1)CCC(=O)N2	ZINC000819773894	607254184	/nfs/dbraw/zinc/25/41/84/607254184.db2.gz	WYUCNOFLXMMKIS-UHFFFAOYSA-N	-1	3	361.409	2.265	20	30		FEEDHM
CC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1ccc2c(c1)CCC(=O)N2	ZINC000819773894	607254185	/nfs/dbraw/zinc/25/41/85/607254185.db2.gz	WYUCNOFLXMMKIS-UHFFFAOYSA-N	-1	3	361.409	2.265	20	30		FEEDHM
COc1cc(C=NNCc2ccc(-c3nnn[n-]3)cc2)cc(OC)c1OC	ZINC000821713430	607255140	/nfs/dbraw/zinc/25/51/40/607255140.db2.gz	XIVXPDZEVXVDRX-UHFFFAOYSA-N	-1	3	368.397	2.016	20	30		FEEDHM
COc1cc(C=NNCc2ccc(-c3nn[n-]n3)cc2)cc(OC)c1OC	ZINC000821713430	607255141	/nfs/dbraw/zinc/25/51/41/607255141.db2.gz	XIVXPDZEVXVDRX-UHFFFAOYSA-N	-1	3	368.397	2.016	20	30		FEEDHM
Cc1c(C#N)cccc1N[C@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O	ZINC000822016160	607256430	/nfs/dbraw/zinc/25/64/30/607256430.db2.gz	VZVHXZPKXRBWMP-AWEZNQCLSA-N	-1	3	365.422	2.326	20	30		FEEDHM
Cc1c(C#N)cccc1N[C@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O	ZINC000822016160	607256431	/nfs/dbraw/zinc/25/64/31/607256431.db2.gz	VZVHXZPKXRBWMP-AWEZNQCLSA-N	-1	3	365.422	2.326	20	30		FEEDHM
C#CCN(C1CCCCC1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C	ZINC000735374167	599001311	/nfs/dbraw/zinc/00/13/11/599001311.db2.gz	DTUGYLNPRLBASH-UHFFFAOYSA-N	-1	3	359.455	2.132	20	30		FEEDHM
C#CCN(C1CCCCC1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C	ZINC000735374167	599001313	/nfs/dbraw/zinc/00/13/13/599001313.db2.gz	DTUGYLNPRLBASH-UHFFFAOYSA-N	-1	3	359.455	2.132	20	30		FEEDHM
COC(=O)c1ccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)o1	ZINC000821669052	599113168	/nfs/dbraw/zinc/11/31/68/599113168.db2.gz	WDXPSBVTFVJTRU-LUAWRHEFSA-N	-1	3	350.334	2.459	20	30		FEEDHM
COC(=O)c1ccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)o1	ZINC000821669052	599113169	/nfs/dbraw/zinc/11/31/69/599113169.db2.gz	WDXPSBVTFVJTRU-LUAWRHEFSA-N	-1	3	350.334	2.459	20	30		FEEDHM
COc1ccc(C=NNC(=S)N[C@@H]2CCCC[C@@H]2C)cc1-c1nnn[n-]1	ZINC000737082441	599126488	/nfs/dbraw/zinc/12/64/88/599126488.db2.gz	VEGCTBGLYYCQBU-SMDDNHRTSA-N	-1	3	373.486	2.252	20	30		FEEDHM
COc1ccc(C=NNC(=S)N[C@@H]2CCCC[C@@H]2C)cc1-c1nn[n-]n1	ZINC000737082441	599126491	/nfs/dbraw/zinc/12/64/91/599126491.db2.gz	VEGCTBGLYYCQBU-SMDDNHRTSA-N	-1	3	373.486	2.252	20	30		FEEDHM
C[C@@H](Oc1cccc(F)c1)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1	ZINC000736184111	599194055	/nfs/dbraw/zinc/19/40/55/599194055.db2.gz	WAVYBOFHHYHEAO-SNVBAGLBSA-N	-1	3	352.329	2.283	20	30		FEEDHM
C[C@@H](Oc1cccc(F)c1)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1	ZINC000736184111	599194056	/nfs/dbraw/zinc/19/40/56/599194056.db2.gz	WAVYBOFHHYHEAO-SNVBAGLBSA-N	-1	3	352.329	2.283	20	30		FEEDHM
C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@]1(C#N)CCC[C@@H](C)C1	ZINC000736244237	599201646	/nfs/dbraw/zinc/20/16/46/599201646.db2.gz	GABPSEMXOJVHMS-VBHSOAQHSA-N	-1	3	354.414	2.223	20	30		FEEDHM
C=CC[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C(F)(F)F	ZINC000735409916	599210151	/nfs/dbraw/zinc/21/01/51/599210151.db2.gz	OPCIFZWAKSYILQ-QMMMGPOBSA-N	-1	3	361.349	2.128	20	30		FEEDHM
C=CC[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C(F)(F)F	ZINC000735409916	599210154	/nfs/dbraw/zinc/21/01/54/599210154.db2.gz	OPCIFZWAKSYILQ-QMMMGPOBSA-N	-1	3	361.349	2.128	20	30		FEEDHM
N#CC(C(=O)CSCC(=O)[O-])C(=O)Nc1ccc(Cl)cc1Cl	ZINC000740303416	597106084	/nfs/dbraw/zinc/10/60/84/597106084.db2.gz	JLAVXKQHIOGQTH-MRVPVSSYSA-N	-1	3	361.206	2.459	20	30		FEEDHM
Cc1c(NC(=O)NCCOc2ccc(C#N)cc2)cccc1-c1nnn[n-]1	ZINC000822097531	607288467	/nfs/dbraw/zinc/28/84/67/607288467.db2.gz	ZPPHQOLEFANNJL-UHFFFAOYSA-N	-1	3	363.381	2.247	20	30		FEEDHM
Cc1c(NC(=O)NCCOc2ccc(C#N)cc2)cccc1-c1nn[n-]n1	ZINC000822097531	607288468	/nfs/dbraw/zinc/28/84/68/607288468.db2.gz	ZPPHQOLEFANNJL-UHFFFAOYSA-N	-1	3	363.381	2.247	20	30		FEEDHM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCCN(CCCc2ccccc2)CC1	ZINC000819810409	597640453	/nfs/dbraw/zinc/64/04/53/597640453.db2.gz	AUSCDZMSCVOWLH-FQEVSTJZSA-N	-1	3	357.454	2.158	20	30		FEEDHM
C#CCOc1cc(F)ccc1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1	ZINC000819702437	599282915	/nfs/dbraw/zinc/28/29/15/599282915.db2.gz	ZIICOJFROSGABR-UHFFFAOYSA-N	-1	3	366.356	2.340	20	30		FEEDHM
C#CCOc1cc(F)ccc1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1	ZINC000819702437	599282917	/nfs/dbraw/zinc/28/29/17/599282917.db2.gz	ZIICOJFROSGABR-UHFFFAOYSA-N	-1	3	366.356	2.340	20	30		FEEDHM
C=CCNc1ncc(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)s1	ZINC000819751646	607323801	/nfs/dbraw/zinc/32/38/01/607323801.db2.gz	YPQLNNNOGLTPIZ-SNVBAGLBSA-N	-1	3	355.427	2.412	20	30		FEEDHM
C=CCNc1ncc(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)s1	ZINC000819751646	607323802	/nfs/dbraw/zinc/32/38/02/607323802.db2.gz	YPQLNNNOGLTPIZ-SNVBAGLBSA-N	-1	3	355.427	2.412	20	30		FEEDHM
N#Cc1ccc(N2CCN(c3cccc(F)c3-c3nnn[n-]3)CC2)c(F)c1	ZINC000737718617	598239150	/nfs/dbraw/zinc/23/91/50/598239150.db2.gz	OAJNZHZNKLBXKX-UHFFFAOYSA-N	-1	3	367.363	2.343	20	30		FEEDHM
N#Cc1ccc(N2CCN(c3cccc(F)c3-c3nn[n-]n3)CC2)c(F)c1	ZINC000737718617	598239152	/nfs/dbraw/zinc/23/91/52/598239152.db2.gz	OAJNZHZNKLBXKX-UHFFFAOYSA-N	-1	3	367.363	2.343	20	30		FEEDHM
COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N(CCC#N)CC(C)(C)C	ZINC000737025181	598243131	/nfs/dbraw/zinc/24/31/31/598243131.db2.gz	OOLYFCTZIKVEFO-UHFFFAOYSA-N	-1	3	372.429	2.042	20	30		FEEDHM
COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N(CCC#N)CC(C)(C)C	ZINC000737025181	598243133	/nfs/dbraw/zinc/24/31/33/598243133.db2.gz	OOLYFCTZIKVEFO-UHFFFAOYSA-N	-1	3	372.429	2.042	20	30		FEEDHM
C#CC[C@H](OC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1)c1ccccn1	ZINC000735375043	598291230	/nfs/dbraw/zinc/29/12/30/598291230.db2.gz	IMBXRULABCEERC-DYVFJYSZSA-N	-1	3	363.377	2.337	20	30		FEEDHM
C#CC[C@H](OC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1)c1ccccn1	ZINC000735375043	598291232	/nfs/dbraw/zinc/29/12/32/598291232.db2.gz	IMBXRULABCEERC-DYVFJYSZSA-N	-1	3	363.377	2.337	20	30		FEEDHM
C[C@@H](Oc1ccccc1C#N)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F	ZINC000736189967	598309592	/nfs/dbraw/zinc/30/95/92/598309592.db2.gz	VFLGZNJWNLTSNP-LLVKDONJSA-N	-1	3	366.356	2.308	20	30		FEEDHM
C[C@@H](Oc1ccccc1C#N)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F	ZINC000736189967	598309594	/nfs/dbraw/zinc/30/95/94/598309594.db2.gz	VFLGZNJWNLTSNP-LLVKDONJSA-N	-1	3	366.356	2.308	20	30		FEEDHM
COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)N[C@H](C#N)CC(C)C	ZINC000737033463	598334985	/nfs/dbraw/zinc/33/49/85/598334985.db2.gz	PMUBIVATDIKCGZ-AWEZNQCLSA-N	-1	3	372.429	2.089	20	30		FEEDHM
COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)N[C@H](C#N)CC(C)C	ZINC000737033463	598334987	/nfs/dbraw/zinc/33/49/87/598334987.db2.gz	PMUBIVATDIKCGZ-AWEZNQCLSA-N	-1	3	372.429	2.089	20	30		FEEDHM
CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)CNc1ccc(C#N)cc1	ZINC000736637940	598382631	/nfs/dbraw/zinc/38/26/31/598382631.db2.gz	VASAXBLQTYCIRA-UHFFFAOYSA-N	-1	3	363.381	2.188	20	30		FEEDHM
CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)CNc1ccc(C#N)cc1	ZINC000736637940	598382632	/nfs/dbraw/zinc/38/26/32/598382632.db2.gz	VASAXBLQTYCIRA-UHFFFAOYSA-N	-1	3	363.381	2.188	20	30		FEEDHM
N#CCOc1ccc(CNC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1	ZINC000737698445	598626878	/nfs/dbraw/zinc/62/68/78/598626878.db2.gz	YPSCSJDIDUAEKR-UHFFFAOYSA-N	-1	3	367.344	2.230	20	30		FEEDHM
N#CCOc1ccc(CNC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1	ZINC000737698445	598626880	/nfs/dbraw/zinc/62/68/80/598626880.db2.gz	YPSCSJDIDUAEKR-UHFFFAOYSA-N	-1	3	367.344	2.230	20	30		FEEDHM
N#CCCN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1-c1nnn[n-]1	ZINC000737694993	598627390	/nfs/dbraw/zinc/62/73/90/598627390.db2.gz	RUJKGXQJCKHDEA-UHFFFAOYSA-N	-1	3	372.385	2.115	20	30		FEEDHM
N#CCCN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1-c1nn[n-]n1	ZINC000737694993	598627392	/nfs/dbraw/zinc/62/73/92/598627392.db2.gz	RUJKGXQJCKHDEA-UHFFFAOYSA-N	-1	3	372.385	2.115	20	30		FEEDHM
C=CCOc1ccccc1C(=O)OCC(=O)c1cccc(-c2nnn[n-]2)c1	ZINC000823932035	607361586	/nfs/dbraw/zinc/36/15/86/607361586.db2.gz	LEQCYVIESIIIGH-UHFFFAOYSA-N	-1	3	364.361	2.471	20	30		FEEDHM
C=CCOc1ccccc1C(=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1	ZINC000823932035	607361588	/nfs/dbraw/zinc/36/15/88/607361588.db2.gz	LEQCYVIESIIIGH-UHFFFAOYSA-N	-1	3	364.361	2.471	20	30		FEEDHM
N#CCOc1cccc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)c1	ZINC000737697863	598653645	/nfs/dbraw/zinc/65/36/45/598653645.db2.gz	OBBAGZWBUHEZFB-UHFFFAOYSA-N	-1	3	366.406	2.500	20	30		FEEDHM
N#CCOc1cccc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)c1	ZINC000737697863	598653647	/nfs/dbraw/zinc/65/36/47/598653647.db2.gz	OBBAGZWBUHEZFB-UHFFFAOYSA-N	-1	3	366.406	2.500	20	30		FEEDHM
N#Cc1ccc(NC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)nc1	ZINC000737716325	598660104	/nfs/dbraw/zinc/66/01/04/598660104.db2.gz	PCMSNDIXBFSAPI-UHFFFAOYSA-N	-1	3	351.395	2.005	20	30		FEEDHM
N#Cc1ccc(NC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)nc1	ZINC000737716325	598660105	/nfs/dbraw/zinc/66/01/05/598660105.db2.gz	PCMSNDIXBFSAPI-UHFFFAOYSA-N	-1	3	351.395	2.005	20	30		FEEDHM
C=C(Cl)C[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1OC	ZINC000808294294	674450590	/nfs/dbraw/zinc/45/05/90/674450590.db2.gz	YHRXCHVHJYRFFS-UHFFFAOYSA-N	-1	3	353.227	2.338	20	30		FEEDHM
C[C@H](CC#N)N(C)C(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1	ZINC000735963717	598753025	/nfs/dbraw/zinc/75/30/25/598753025.db2.gz	KOVAMVDNUXQZDG-GFCCVEGCSA-N	-1	3	366.381	2.413	20	30		FEEDHM
C[C@H](CC#N)N(C)C(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1	ZINC000735963717	598753026	/nfs/dbraw/zinc/75/30/26/598753026.db2.gz	KOVAMVDNUXQZDG-GFCCVEGCSA-N	-1	3	366.381	2.413	20	30		FEEDHM
Cc1nc(SCC(=O)N(C)[C@@H](C)CC#N)c(-c2nnn[n-]2)c(C)c1C	ZINC000737483892	598753495	/nfs/dbraw/zinc/75/34/95/598753495.db2.gz	PXOJMGJDJUMQLF-VIFPVBQESA-N	-1	3	359.459	2.040	20	30		FEEDHM
Cc1nc(SCC(=O)N(C)[C@@H](C)CC#N)c(-c2nn[n-]n2)c(C)c1C	ZINC000737483892	598753497	/nfs/dbraw/zinc/75/34/97/598753497.db2.gz	PXOJMGJDJUMQLF-VIFPVBQESA-N	-1	3	359.459	2.040	20	30		FEEDHM
Cc1cc(C#N)cc(C)c1OS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1	ZINC000822159877	599360598	/nfs/dbraw/zinc/36/05/98/599360598.db2.gz	FJULFHGUQQRCGV-UHFFFAOYSA-N	-1	3	355.379	2.123	20	30		FEEDHM
Cc1cc(C#N)cc(C)c1OS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1	ZINC000822159877	599360601	/nfs/dbraw/zinc/36/06/01/599360601.db2.gz	FJULFHGUQQRCGV-UHFFFAOYSA-N	-1	3	355.379	2.123	20	30		FEEDHM
COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)OCC1(CC#N)CC1	ZINC000821701613	599626174	/nfs/dbraw/zinc/62/61/74/599626174.db2.gz	WCNZCQOTFMTSCD-UHFFFAOYSA-N	-1	3	371.397	2.271	20	30		FEEDHM
COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)OCC1(CC#N)CC1	ZINC000821701613	599626175	/nfs/dbraw/zinc/62/61/75/599626175.db2.gz	WCNZCQOTFMTSCD-UHFFFAOYSA-N	-1	3	371.397	2.271	20	30		FEEDHM
CON=Cc1ccc(C(=O)OCc2cc(-c3nnn[n-]3)ccc2OC)cc1	ZINC000821697996	607408719	/nfs/dbraw/zinc/40/87/19/607408719.db2.gz	ZZLKGIWNHZKKPP-UHFFFAOYSA-N	-1	3	367.365	2.213	20	30		FEEDHM
CON=Cc1ccc(C(=O)OCc2cc(-c3nn[n-]n3)ccc2OC)cc1	ZINC000821697996	607408721	/nfs/dbraw/zinc/40/87/21/607408721.db2.gz	ZZLKGIWNHZKKPP-UHFFFAOYSA-N	-1	3	367.365	2.213	20	30		FEEDHM
C#CCOc1ccc(C(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1	ZINC000823856724	607415625	/nfs/dbraw/zinc/41/56/25/607415625.db2.gz	WTBJAJBRLDYQRH-UHFFFAOYSA-N	-1	3	359.389	2.298	20	30		FEEDHM
C#CCOc1ccc(C(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1	ZINC000823856724	607415626	/nfs/dbraw/zinc/41/56/26/607415626.db2.gz	WTBJAJBRLDYQRH-UHFFFAOYSA-N	-1	3	359.389	2.298	20	30		FEEDHM
N#CCOc1ccc(CC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1	ZINC000826382322	607419354	/nfs/dbraw/zinc/41/93/54/607419354.db2.gz	YRGPQUZMWACZOL-UHFFFAOYSA-N	-1	3	374.404	2.117	20	30		FEEDHM
N#CCOc1ccc(CC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1	ZINC000826382322	607419356	/nfs/dbraw/zinc/41/93/56/607419356.db2.gz	YRGPQUZMWACZOL-UHFFFAOYSA-N	-1	3	374.404	2.117	20	30		FEEDHM
C#Cc1cccc(N(C)CC(=O)Nc2oc(C)c(C)c2-c2nnn[n-]2)c1	ZINC000819710219	607448637	/nfs/dbraw/zinc/44/86/37/607448637.db2.gz	ZKYGITCXHUSACO-UHFFFAOYSA-N	-1	3	350.382	2.133	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCc1cccc(F)n1	ZINC000823910062	607461700	/nfs/dbraw/zinc/46/17/00/607461700.db2.gz	WYTMGIXREDOZBJ-UHFFFAOYSA-N	-1	3	367.388	2.299	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCc1cccc(F)n1	ZINC000823910062	607461701	/nfs/dbraw/zinc/46/17/01/607461701.db2.gz	WYTMGIXREDOZBJ-UHFFFAOYSA-N	-1	3	367.388	2.299	20	30		FEEDHM
CN(C)CCN(Cc1cccc(C#N)c1)C(=O)C1CCC(NC(=O)[O-])CC1	ZINC000739614013	601926487	/nfs/dbraw/zinc/92/64/87/601926487.db2.gz	QWUOCUBZYHSDSZ-UHFFFAOYSA-N	-1	3	372.469	2.275	20	30		FEEDHM
C[C@H](NC(=O)[O-])[C@@H]1CCCCN1C[C@H](O)COc1ccc(CC#N)cc1	ZINC000739012006	602274268	/nfs/dbraw/zinc/27/42/68/602274268.db2.gz	RFVWVQDFACUAOU-ZVZYQTTQSA-N	-1	3	361.442	2.003	20	30		FEEDHM
N#Cc1c(Cl)cccc1S(=O)(=O)Oc1ccc(-c2nnn[n-]2)cc1	ZINC000826382933	607572045	/nfs/dbraw/zinc/57/20/45/607572045.db2.gz	BIYWYWAERMWQPX-UHFFFAOYSA-N	-1	3	361.770	2.159	20	30		FEEDHM
N#Cc1c(Cl)cccc1S(=O)(=O)Oc1ccc(-c2nn[n-]n2)cc1	ZINC000826382933	607572046	/nfs/dbraw/zinc/57/20/46/607572046.db2.gz	BIYWYWAERMWQPX-UHFFFAOYSA-N	-1	3	361.770	2.159	20	30		FEEDHM
C=CCN1CCC(NC(=O)N2CCC([C@H]3CCCN3C(=O)[O-])CC2)CC1	ZINC000738491143	602715514	/nfs/dbraw/zinc/71/55/14/602715514.db2.gz	GNECNOBROQTZOT-QGZVFWFLSA-N	-1	3	364.490	2.201	20	30		FEEDHM
COc1ccc(CNC(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1C#N	ZINC000826200227	607620429	/nfs/dbraw/zinc/62/04/29/607620429.db2.gz	FJQJOBWMPHDNNE-UHFFFAOYSA-N	-1	3	363.381	2.377	20	30		FEEDHM
COc1ccc(CNC(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1C#N	ZINC000826200227	607620431	/nfs/dbraw/zinc/62/04/31/607620431.db2.gz	FJQJOBWMPHDNNE-UHFFFAOYSA-N	-1	3	363.381	2.377	20	30		FEEDHM
N#CC(C(=O)C[C@H](Cc1ccccc1)NC(=O)[O-])C(=O)NC1CCCC1	ZINC000831066837	604225581	/nfs/dbraw/zinc/22/55/81/604225581.db2.gz	ZVOQDWGPIFDBLT-JKSUJKDBSA-N	-1	3	357.410	2.023	20	30		FEEDHM
CCOc1ccccc1NC(=O)C(C#N)C(=O)CC1(NC(=O)[O-])CCC1	ZINC000827460195	604253326	/nfs/dbraw/zinc/25/33/26/604253326.db2.gz	OPLPVBJOUNTGSF-LBPRGKRZSA-N	-1	3	359.382	2.313	20	30		FEEDHM
O=[N+]([O-])c1ccc(C=NOCc2cn3ccccc3c2-c2nnn[n-]2)o1	ZINC000823635199	606176183	/nfs/dbraw/zinc/17/61/83/606176183.db2.gz	SXMBWBMTHXARAS-UHFFFAOYSA-N	-1	3	353.298	2.171	20	30		FEEDHM
O=[N+]([O-])c1ccc(C=NOCc2cn3ccccc3c2-c2nn[n-]n2)o1	ZINC000823635199	606176184	/nfs/dbraw/zinc/17/61/84/606176184.db2.gz	SXMBWBMTHXARAS-UHFFFAOYSA-N	-1	3	353.298	2.171	20	30		FEEDHM
C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)c1ccc(C#N)s1	ZINC000820293480	606178169	/nfs/dbraw/zinc/17/81/69/606178169.db2.gz	KOLUBKCSCNNMIF-JTQLQIEISA-N	-1	3	355.379	2.424	20	30		FEEDHM
C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)c1ccc(C#N)s1	ZINC000820293480	606178170	/nfs/dbraw/zinc/17/81/70/606178170.db2.gz	KOLUBKCSCNNMIF-JTQLQIEISA-N	-1	3	355.379	2.424	20	30		FEEDHM
N#CCCN(CCC(=O)Nc1cccc(-c2nnn[n-]2)c1)Cc1ccco1	ZINC000822810295	606191453	/nfs/dbraw/zinc/19/14/53/606191453.db2.gz	FCGDWHMABJCUJW-UHFFFAOYSA-N	-1	3	365.397	2.204	20	30		FEEDHM
N#CCCN(CCC(=O)Nc1cccc(-c2nn[n-]n2)c1)Cc1ccco1	ZINC000822810295	606191454	/nfs/dbraw/zinc/19/14/54/606191454.db2.gz	FCGDWHMABJCUJW-UHFFFAOYSA-N	-1	3	365.397	2.204	20	30		FEEDHM
Cc1nc(SCC(=O)N[C@@H]2CCC[C@@H]2C#N)c(-c2nnn[n-]2)c(C)c1C	ZINC000822453891	606325578	/nfs/dbraw/zinc/32/55/78/606325578.db2.gz	PXBLFBCQOGFIEX-CHWSQXEVSA-N	-1	3	371.470	2.088	20	30		FEEDHM
Cc1nc(SCC(=O)N[C@@H]2CCC[C@@H]2C#N)c(-c2nn[n-]n2)c(C)c1C	ZINC000822453891	606325580	/nfs/dbraw/zinc/32/55/80/606325580.db2.gz	PXBLFBCQOGFIEX-CHWSQXEVSA-N	-1	3	371.470	2.088	20	30		FEEDHM
C[C@@H](NC(=S)NN=C1CCCc2cc(-c3nnn[n-]3)ccc21)C1CC1	ZINC000820404328	606340376	/nfs/dbraw/zinc/34/03/76/606340376.db2.gz	SCUONHQDGHWQEV-SNVBAGLBSA-N	-1	3	355.471	2.170	20	30		FEEDHM
C[C@@H](NC(=S)NN=C1CCCc2cc(-c3nn[n-]n3)ccc21)C1CC1	ZINC000820404328	606340378	/nfs/dbraw/zinc/34/03/78/606340378.db2.gz	SCUONHQDGHWQEV-SNVBAGLBSA-N	-1	3	355.471	2.170	20	30		FEEDHM
COC(=O)COc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)cc1	ZINC000821662768	606390511	/nfs/dbraw/zinc/39/05/11/606390511.db2.gz	RTUDVZPIYBKKIW-VURMDHGXSA-N	-1	3	370.390	2.376	20	30		FEEDHM
Cn1cc(-c2nnn[n-]2)cc1C(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1	ZINC000822627091	606447268	/nfs/dbraw/zinc/44/72/68/606447268.db2.gz	JONFWDGJDUCGTO-HOTGVXAUSA-N	-1	3	361.409	2.117	20	30		FEEDHM
Cn1cc(-c2nn[n-]n2)cc1C(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1	ZINC000822627091	606447269	/nfs/dbraw/zinc/44/72/69/606447269.db2.gz	JONFWDGJDUCGTO-HOTGVXAUSA-N	-1	3	361.409	2.117	20	30		FEEDHM
C#CCN(CC#C)C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1	ZINC000819698312	606458849	/nfs/dbraw/zinc/45/88/49/606458849.db2.gz	WGGZKPMRECNMNA-UHFFFAOYSA-N	-1	3	357.373	2.368	20	30		FEEDHM
C#CCN(CC#C)C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1	ZINC000819698312	606458851	/nfs/dbraw/zinc/45/88/51/606458851.db2.gz	WGGZKPMRECNMNA-UHFFFAOYSA-N	-1	3	357.373	2.368	20	30		FEEDHM
C#CCN(CC#C)C(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1	ZINC000819697335	606459214	/nfs/dbraw/zinc/45/92/14/606459214.db2.gz	AWWVUYQKMJLQRG-UHFFFAOYSA-N	-1	3	371.400	2.154	20	30		FEEDHM
C#CCN(CC#C)C(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1	ZINC000819697335	606459215	/nfs/dbraw/zinc/45/92/15/606459215.db2.gz	AWWVUYQKMJLQRG-UHFFFAOYSA-N	-1	3	371.400	2.154	20	30		FEEDHM
C#Cc1ccc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2OC(F)F)nc1	ZINC000819709279	606558315	/nfs/dbraw/zinc/55/83/15/606558315.db2.gz	APGVINWQSSMMTC-UHFFFAOYSA-N	-1	3	371.303	2.201	20	30		FEEDHM
C#Cc1ccc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2OC(F)F)nc1	ZINC000819709279	606558316	/nfs/dbraw/zinc/55/83/16/606558316.db2.gz	APGVINWQSSMMTC-UHFFFAOYSA-N	-1	3	371.303	2.201	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1C[C@H](OC)C1(C)C	ZINC000819744070	606616822	/nfs/dbraw/zinc/61/68/22/606616822.db2.gz	VIOLAWCNEITKNH-CVEARBPZSA-N	-1	3	370.457	2.378	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1C[C@H](OC)C1(C)C	ZINC000819744070	606616823	/nfs/dbraw/zinc/61/68/23/606616823.db2.gz	VIOLAWCNEITKNH-CVEARBPZSA-N	-1	3	370.457	2.378	20	30		FEEDHM
C[C@@](C#N)(NC(=O)CSc1ccc(Cl)cc1-c1nnn[n-]1)C1CC1	ZINC000819844856	606629478	/nfs/dbraw/zinc/62/94/78/606629478.db2.gz	MTJPETMRIMVBTP-HNNXBMFYSA-N	-1	3	362.846	2.421	20	30		FEEDHM
C[C@@](C#N)(NC(=O)CSc1ccc(Cl)cc1-c1nn[n-]n1)C1CC1	ZINC000819844856	606629479	/nfs/dbraw/zinc/62/94/79/606629479.db2.gz	MTJPETMRIMVBTP-HNNXBMFYSA-N	-1	3	362.846	2.421	20	30		FEEDHM
CCN(C[C@H](C)C#N)C(=O)CNc1cc(-c2nnn[n-]2)ccc1OC(C)C	ZINC000821170004	606707158	/nfs/dbraw/zinc/70/71/58/606707158.db2.gz	LEYMZOQVQKXNLR-CYBMUJFWSA-N	-1	3	371.445	2.074	20	30		FEEDHM
CCN(C[C@H](C)C#N)C(=O)CNc1cc(-c2nn[n-]n2)ccc1OC(C)C	ZINC000821170004	606707159	/nfs/dbraw/zinc/70/71/59/606707159.db2.gz	LEYMZOQVQKXNLR-CYBMUJFWSA-N	-1	3	371.445	2.074	20	30		FEEDHM
O=[N+]([O-])c1ccc(C=NOCCCOc2cccc(-c3nnn[n-]3)c2)o1	ZINC000823634219	606838930	/nfs/dbraw/zinc/83/89/30/606838930.db2.gz	DRGKOEQBRGZGNU-UHFFFAOYSA-N	-1	3	358.314	2.188	20	30		FEEDHM
O=[N+]([O-])c1ccc(C=NOCCCOc2cccc(-c3nn[n-]n3)c2)o1	ZINC000823634219	606838931	/nfs/dbraw/zinc/83/89/31/606838931.db2.gz	DRGKOEQBRGZGNU-UHFFFAOYSA-N	-1	3	358.314	2.188	20	30		FEEDHM
COC(=O)[C@@H](C)Oc1ccc(C=NNc2cccc(-c3nnn[n-]3)c2)cc1	ZINC000821640956	606918235	/nfs/dbraw/zinc/91/82/35/606918235.db2.gz	SLMQHXHUOXFPSU-GFCCVEGCSA-N	-1	3	366.381	2.253	20	30		FEEDHM
COC(=O)[C@@H](C)Oc1ccc(C=NNc2cccc(-c3nn[n-]n3)c2)cc1	ZINC000821640956	606918236	/nfs/dbraw/zinc/91/82/36/606918236.db2.gz	SLMQHXHUOXFPSU-GFCCVEGCSA-N	-1	3	366.381	2.253	20	30		FEEDHM
CN(C(=O)COc1cccc(C#N)c1)c1cc(Cl)ccc1-c1nnn[n-]1	ZINC000821570796	606959002	/nfs/dbraw/zinc/95/90/02/606959002.db2.gz	LOLZYEPCSQCZFD-UHFFFAOYSA-N	-1	3	368.784	2.434	20	30		FEEDHM
CN(C(=O)COc1cccc(C#N)c1)c1cc(Cl)ccc1-c1nn[n-]n1	ZINC000821570796	606959004	/nfs/dbraw/zinc/95/90/04/606959004.db2.gz	LOLZYEPCSQCZFD-UHFFFAOYSA-N	-1	3	368.784	2.434	20	30		FEEDHM
Cc1nnc(-c2cccc(C#N)c2)n1Cc1cc(F)ccc1-c1nnn[n-]1	ZINC000822505973	607028388	/nfs/dbraw/zinc/02/83/88/607028388.db2.gz	ZRGWQCGAMXXGDX-UHFFFAOYSA-N	-1	3	360.356	2.493	20	30		FEEDHM
Cc1nnc(-c2cccc(C#N)c2)n1Cc1cc(F)ccc1-c1nn[n-]n1	ZINC000822505973	607028389	/nfs/dbraw/zinc/02/83/89/607028389.db2.gz	ZRGWQCGAMXXGDX-UHFFFAOYSA-N	-1	3	360.356	2.493	20	30		FEEDHM
Cc1ccc(C#N)cc1OS(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C	ZINC000822224870	607051190	/nfs/dbraw/zinc/05/11/90/607051190.db2.gz	DCGUNQUKAXLVDY-UHFFFAOYSA-N	-1	3	355.379	2.123	20	30		FEEDHM
Cc1ccc(C#N)cc1OS(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C	ZINC000822224870	607051192	/nfs/dbraw/zinc/05/11/92/607051192.db2.gz	DCGUNQUKAXLVDY-UHFFFAOYSA-N	-1	3	355.379	2.123	20	30		FEEDHM
C[C@@H](Oc1ccccc1C#N)C(=O)OCc1cc(F)ccc1-c1nnn[n-]1	ZINC000820548529	607076531	/nfs/dbraw/zinc/07/65/31/607076531.db2.gz	BLWXEADAHVYTGC-LLVKDONJSA-N	-1	3	367.340	2.388	20	30		FEEDHM
C[C@@H](Oc1ccccc1C#N)C(=O)OCc1cc(F)ccc1-c1nn[n-]n1	ZINC000820548529	607076533	/nfs/dbraw/zinc/07/65/33/607076533.db2.gz	BLWXEADAHVYTGC-LLVKDONJSA-N	-1	3	367.340	2.388	20	30		FEEDHM
N#CCCN(C(=O)CNc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1	ZINC000822806643	607126157	/nfs/dbraw/zinc/12/61/57/607126157.db2.gz	QPWUSFFUDUTIDO-UHFFFAOYSA-N	-1	3	365.372	2.365	20	30		FEEDHM
N#CCCN(C(=O)CNc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1	ZINC000822806643	607126159	/nfs/dbraw/zinc/12/61/59/607126159.db2.gz	QPWUSFFUDUTIDO-UHFFFAOYSA-N	-1	3	365.372	2.365	20	30		FEEDHM
CC(=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1nccn1C	ZINC000823958810	607887032	/nfs/dbraw/zinc/88/70/32/607887032.db2.gz	XUEOXOCHUCZQOS-UHFFFAOYSA-N	-1	3	350.308	2.455	20	30		FEEDHM
CC(C)n1ncc2cc(C=NNCc3ccc(-c4nnn[n-]4)cc3)cnc21	ZINC000824377607	607890166	/nfs/dbraw/zinc/89/01/66/607890166.db2.gz	ILCVHKIJCPDGSK-UHFFFAOYSA-N	-1	3	361.413	2.316	20	30		FEEDHM
CC(C)n1ncc2cc(C=NNCc3ccc(-c4nn[n-]n4)cc3)cnc21	ZINC000824377607	607890167	/nfs/dbraw/zinc/89/01/67/607890167.db2.gz	ILCVHKIJCPDGSK-UHFFFAOYSA-N	-1	3	361.413	2.316	20	30		FEEDHM
C=C(C)[C@H](CC(=O)O[C@@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1)OCC	ZINC000823872481	607920106	/nfs/dbraw/zinc/92/01/06/607920106.db2.gz	ACCXPGHOAZCCKS-WFASDCNBSA-N	-1	3	373.413	2.108	20	30		FEEDHM
C=C(C)[C@H](CC(=O)O[C@@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1)OCC	ZINC000823872481	607920107	/nfs/dbraw/zinc/92/01/07/607920107.db2.gz	ACCXPGHOAZCCKS-WFASDCNBSA-N	-1	3	373.413	2.108	20	30		FEEDHM
C=CCCOCCNC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1	ZINC000823898790	607930056	/nfs/dbraw/zinc/93/00/56/607930056.db2.gz	BLFBZSXFLVUJLG-UHFFFAOYSA-N	-1	3	352.851	2.399	20	30		FEEDHM
C=CCCOCCNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1	ZINC000823898790	607930057	/nfs/dbraw/zinc/93/00/57/607930057.db2.gz	BLFBZSXFLVUJLG-UHFFFAOYSA-N	-1	3	352.851	2.399	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2ccnc(OCC(F)F)c2)cc1-c1nnn[n-]1	ZINC000826385418	608005081	/nfs/dbraw/zinc/00/50/81/608005081.db2.gz	LMCLCAZSWIGVAG-UHFFFAOYSA-N	-1	3	371.307	2.030	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2ccnc(OCC(F)F)c2)cc1-c1nn[n-]n1	ZINC000826385418	608005082	/nfs/dbraw/zinc/00/50/82/608005082.db2.gz	LMCLCAZSWIGVAG-UHFFFAOYSA-N	-1	3	371.307	2.030	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H]1CCC(=O)[C@@H](C)C1	ZINC000823909748	608120201	/nfs/dbraw/zinc/12/02/01/608120201.db2.gz	PKIJYBCCVSRZMR-BBRMVZONSA-N	-1	3	353.426	2.387	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H]1CCC(=O)[C@@H](C)C1	ZINC000823909748	608120202	/nfs/dbraw/zinc/12/02/02/608120202.db2.gz	PKIJYBCCVSRZMR-BBRMVZONSA-N	-1	3	353.426	2.387	20	30		FEEDHM
C[C@@]1(C#N)CCCN(Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)C1	ZINC000824778447	608125740	/nfs/dbraw/zinc/12/57/40/608125740.db2.gz	PCCINGOAHLAZEP-KRWDZBQOSA-N	-1	3	350.386	2.042	20	30		FEEDHM
C[C@@]1(C#N)CCCN(Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)C1	ZINC000824778447	608125741	/nfs/dbraw/zinc/12/57/41/608125741.db2.gz	PCCINGOAHLAZEP-KRWDZBQOSA-N	-1	3	350.386	2.042	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2ncccc2C(F)(F)F)cc1-c1nnn[n-]1	ZINC000826385708	608160435	/nfs/dbraw/zinc/16/04/35/608160435.db2.gz	XLXJFZPTXUTALU-UHFFFAOYSA-N	-1	3	359.271	2.404	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2ncccc2C(F)(F)F)cc1-c1nn[n-]n1	ZINC000826385708	608160436	/nfs/dbraw/zinc/16/04/36/608160436.db2.gz	XLXJFZPTXUTALU-UHFFFAOYSA-N	-1	3	359.271	2.404	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@@H]1CCO[C@@H](C)C1	ZINC000823909651	608203365	/nfs/dbraw/zinc/20/33/65/608203365.db2.gz	MHJKRTMQPDIRGV-LSDHHAIUSA-N	-1	3	370.457	2.379	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@@H]1CCO[C@@H](C)C1	ZINC000823909651	608203367	/nfs/dbraw/zinc/20/33/67/608203367.db2.gz	MHJKRTMQPDIRGV-LSDHHAIUSA-N	-1	3	370.457	2.379	20	30		FEEDHM
Cc1nnc(NCc2nc(-c3cccc(-c4nnn[n-]4)c3)c[nH]2)c(C#N)c1C	ZINC000826336695	608410171	/nfs/dbraw/zinc/41/01/71/608410171.db2.gz	JQXCQZBLGDIJNR-UHFFFAOYSA-N	-1	3	372.396	2.147	20	30		FEEDHM
Cc1nnc(NCc2nc(-c3cccc(-c4nn[n-]n4)c3)c[nH]2)c(C#N)c1C	ZINC000826336695	608410172	/nfs/dbraw/zinc/41/01/72/608410172.db2.gz	JQXCQZBLGDIJNR-UHFFFAOYSA-N	-1	3	372.396	2.147	20	30		FEEDHM
C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCc1cccc(C#N)c1F	ZINC000824754613	608441209	/nfs/dbraw/zinc/44/12/09/608441209.db2.gz	ISISEWMKYJXATP-NSHDSACASA-N	-1	3	367.340	2.388	20	30		FEEDHM
C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OCc1cccc(C#N)c1F	ZINC000824754613	608441211	/nfs/dbraw/zinc/44/12/11/608441211.db2.gz	ISISEWMKYJXATP-NSHDSACASA-N	-1	3	367.340	2.388	20	30		FEEDHM
Cc1nnc(N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c(C#N)c1C	ZINC000826336423	608442117	/nfs/dbraw/zinc/44/21/17/608442117.db2.gz	XMEBAPAGUWJFHP-UHFFFAOYSA-N	-1	3	358.409	2.439	20	30		FEEDHM
Cc1nnc(N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c(C#N)c1C	ZINC000826336423	608442118	/nfs/dbraw/zinc/44/21/18/608442118.db2.gz	XMEBAPAGUWJFHP-UHFFFAOYSA-N	-1	3	358.409	2.439	20	30		FEEDHM
C=C(C)CN(CC)C(=O)CN1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1	ZINC000823878457	608463381	/nfs/dbraw/zinc/46/33/81/608463381.db2.gz	ZYYDKJUJUNKZIM-UHFFFAOYSA-N	-1	3	366.469	2.380	20	30		FEEDHM
N#Cc1ccc(CN2CCN(Cc3cc(-c4nnn[n-]4)cs3)CC2)cc1	ZINC000826385030	608502646	/nfs/dbraw/zinc/50/26/46/608502646.db2.gz	UPIHHGZPIJSKRE-UHFFFAOYSA-N	-1	3	365.466	2.118	20	30		FEEDHM
N#Cc1ccc(CN2CCN(Cc3cc(-c4nn[n-]n4)cs3)CC2)cc1	ZINC000826385030	608502648	/nfs/dbraw/zinc/50/26/48/608502648.db2.gz	UPIHHGZPIJSKRE-UHFFFAOYSA-N	-1	3	365.466	2.118	20	30		FEEDHM
C#CCOc1ccccc1CN=Nc1cc(-c2nnn[n-]2)cc(Cl)n1	ZINC000823861687	608536699	/nfs/dbraw/zinc/53/66/99/608536699.db2.gz	PNTIUXXPAVGWQU-UHFFFAOYSA-N	-1	3	353.773	2.373	20	30		FEEDHM
C#CCOc1ccccc1CN=Nc1cc(-c2nn[n-]n2)cc(Cl)n1	ZINC000823861687	608536700	/nfs/dbraw/zinc/53/67/00/608536700.db2.gz	PNTIUXXPAVGWQU-UHFFFAOYSA-N	-1	3	353.773	2.373	20	30		FEEDHM
CC(=O)Nc1ccsc1CN=Nc1cc(-c2nn[n-]n2)cc(Cl)n1	ZINC000824005464	608540559	/nfs/dbraw/zinc/54/05/59/608540559.db2.gz	TWUVPSMMHYHCLI-UHFFFAOYSA-N	-1	3	362.806	2.381	20	30		FEEDHM
O=C1CCCN1N=Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1	ZINC000826480714	608752252	/nfs/dbraw/zinc/75/22/52/608752252.db2.gz	NGOYAKPOFZZADC-UHFFFAOYSA-N	-1	3	362.393	2.402	20	30		FEEDHM
O=C1CCCN1N=Cc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1	ZINC000826480714	608752255	/nfs/dbraw/zinc/75/22/55/608752255.db2.gz	NGOYAKPOFZZADC-UHFFFAOYSA-N	-1	3	362.393	2.402	20	30		FEEDHM
N#Cc1cccc([C@@H]2CN(Cc3cc(-c4nnn[n-]4)cs3)CCO2)c1	ZINC000826386945	608854509	/nfs/dbraw/zinc/85/45/09/608854509.db2.gz	ZGMOGQJVOIKYHM-INIZCTEOSA-N	-1	3	352.423	2.373	20	30		FEEDHM
N#Cc1cccc([C@@H]2CN(Cc3cc(-c4nn[n-]n4)cs3)CCO2)c1	ZINC000826386945	608854511	/nfs/dbraw/zinc/85/45/11/608854511.db2.gz	ZGMOGQJVOIKYHM-INIZCTEOSA-N	-1	3	352.423	2.373	20	30		FEEDHM
O=C1c2cc3c(cc2OCC1=Cc1ccc(F)c(-c2nnn[n-]2)c1)OCO3	ZINC000826475608	608881455	/nfs/dbraw/zinc/88/14/55/608881455.db2.gz	LDEMBTQPMHYSDL-XCVCLJGOSA-N	-1	3	366.308	2.393	20	30		FEEDHM
O=C1c2cc3c(cc2OCC1=Cc1ccc(F)c(-c2nn[n-]n2)c1)OCO3	ZINC000826475608	608881457	/nfs/dbraw/zinc/88/14/57/608881457.db2.gz	LDEMBTQPMHYSDL-XCVCLJGOSA-N	-1	3	366.308	2.393	20	30		FEEDHM
C=C(C)COc1cccc(NC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)c1	ZINC000823878420	609220091	/nfs/dbraw/zinc/22/00/91/609220091.db2.gz	YIWWJWCSXQULPH-QGZVFWFLSA-N	-1	3	365.393	2.494	20	30		FEEDHM
C=C(C)COc1cccc(NC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)c1	ZINC000823878420	609220094	/nfs/dbraw/zinc/22/00/94/609220094.db2.gz	YIWWJWCSXQULPH-QGZVFWFLSA-N	-1	3	365.393	2.494	20	30		FEEDHM
N#Cc1cc(-c2nnn[n-]2)c(N)nc1SCc1ccc2c(c1)COC2	ZINC000826383580	609308616	/nfs/dbraw/zinc/30/86/16/609308616.db2.gz	HMUKICCGORWSSU-UHFFFAOYSA-N	-1	3	351.395	2.038	20	30		FEEDHM
N#Cc1cc(-c2nn[n-]n2)c(N)nc1SCc1ccc2c(c1)COC2	ZINC000826383580	609308618	/nfs/dbraw/zinc/30/86/18/609308618.db2.gz	HMUKICCGORWSSU-UHFFFAOYSA-N	-1	3	351.395	2.038	20	30		FEEDHM
COc1ccc(O)cc1C(=O)C=Cc1cnc2ccc(-c3nnn[n-]3)cn12	ZINC000826210231	609506979	/nfs/dbraw/zinc/50/69/79/609506979.db2.gz	JQCAIXACAFLWEO-HYXAFXHYSA-N	-1	3	362.349	2.125	20	30		FEEDHM
COc1ccc(O)cc1C(=O)C=Cc1cnc2ccc(-c3nn[n-]n3)cn12	ZINC000826210231	609506981	/nfs/dbraw/zinc/50/69/81/609506981.db2.gz	JQCAIXACAFLWEO-HYXAFXHYSA-N	-1	3	362.349	2.125	20	30		FEEDHM
N#CCCCNC(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1	ZINC000826381652	609516479	/nfs/dbraw/zinc/51/64/79/609516479.db2.gz	TVSHFDPQRDDAJD-UHFFFAOYSA-N	-1	3	362.393	2.479	20	30		FEEDHM
N#CCCCNC(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1	ZINC000826381652	609516482	/nfs/dbraw/zinc/51/64/82/609516482.db2.gz	TVSHFDPQRDDAJD-UHFFFAOYSA-N	-1	3	362.393	2.479	20	30		FEEDHM
Cc1c(Cl)cnc(N2CCc3c(C#N)c(N)sc3C2)c1-c1nnn[n-]1	ZINC000826238307	609525154	/nfs/dbraw/zinc/52/51/54/609525154.db2.gz	CIZGRDWUOCOODQ-UHFFFAOYSA-N	-1	3	372.845	2.302	20	30		FEEDHM
Cc1c(Cl)cnc(N2CCc3c(C#N)c(N)sc3C2)c1-c1nn[n-]n1	ZINC000826238307	609525157	/nfs/dbraw/zinc/52/51/57/609525157.db2.gz	CIZGRDWUOCOODQ-UHFFFAOYSA-N	-1	3	372.845	2.302	20	30		FEEDHM
CN(c1cccc(-c2nnn[n-]2)c1)S(=O)(=O)c1ccc(C#N)cc1Cl	ZINC000826004027	609528009	/nfs/dbraw/zinc/52/80/09/609528009.db2.gz	FJAAFMBZXCXACY-UHFFFAOYSA-N	-1	3	374.813	2.217	20	30		FEEDHM
CN(c1cccc(-c2nn[n-]n2)c1)S(=O)(=O)c1ccc(C#N)cc1Cl	ZINC000826004027	609528011	/nfs/dbraw/zinc/52/80/11/609528011.db2.gz	FJAAFMBZXCXACY-UHFFFAOYSA-N	-1	3	374.813	2.217	20	30		FEEDHM
N#Cc1ccsc1N1CC[C@@H](OC(=O)c2cc([O-])cc(C#N)c2)C1=O	ZINC000811188016	674587080	/nfs/dbraw/zinc/58/70/80/674587080.db2.gz	SSHCWJNPXXRBCE-CQSZACIVSA-N	-1	3	353.359	2.159	20	30		FEEDHM
C#C[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1)C(C)(C)C	ZINC000813775716	674779692	/nfs/dbraw/zinc/77/96/92/674779692.db2.gz	JUYSLNFSWKTECA-OAHLLOKOSA-N	-1	3	354.447	2.290	20	30		FEEDHM
Cc1nc([C@@](C)([N-]S(=O)(=O)Cc2cc(C#N)ccc2F)C2CC2)no1	ZINC000562927140	674823206	/nfs/dbraw/zinc/82/32/06/674823206.db2.gz	LYBCHCQFEFVWHK-INIZCTEOSA-N	-1	3	364.402	2.134	20	30		FEEDHM
CCOc1ccc(-c2nc(C)c(C(=O)N[C@@H]3CCN([O-])C3=O)s2)cc1	ZINC000816692690	675073443	/nfs/dbraw/zinc/07/34/43/675073443.db2.gz	SZWPIQLOMUCHLT-CYBMUJFWSA-N	-1	3	361.423	2.237	20	30		FEEDHM
Cc1cc(Br)cc2cc(C(=O)N[C@@H]3CCN([O-])C3=O)oc21	ZINC000816693589	675073766	/nfs/dbraw/zinc/07/37/66/675073766.db2.gz	ODNMIAPQSZZTPN-SNVBAGLBSA-N	-1	3	353.172	2.224	20	30		FEEDHM
O=C(N[C@@H]1CCCN([O-])C1=O)c1cc2cc(Br)ccc2o1	ZINC000816754641	675077490	/nfs/dbraw/zinc/07/74/90/675077490.db2.gz	JAORJVDHTBUQNU-SNVBAGLBSA-N	-1	3	353.172	2.305	20	30		FEEDHM
C=CCC[C@H](CO)NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1	ZINC000580522752	671814849	/nfs/dbraw/zinc/81/48/49/671814849.db2.gz	CAOXDOCBRGZQQQ-LLVKDONJSA-N	-1	3	365.227	2.348	20	30		FEEDHM
N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CC[C@@](O)(C(F)(F)F)C1	ZINC000589922917	672547836	/nfs/dbraw/zinc/54/78/36/672547836.db2.gz	QSYQNOZOONSDNL-PWSUYJOCSA-N	-1	3	368.764	2.336	20	30		FEEDHM
CO[C@H](CS(=O)(=O)[N-]c1ccc(Cl)c(C#N)c1)C1CCOCC1	ZINC000592350553	672789674	/nfs/dbraw/zinc/78/96/74/672789674.db2.gz	RIDVXRJKKZNSFY-OAHLLOKOSA-N	-1	3	358.847	2.395	20	30		FEEDHM
COCC[C@@](C)(C#N)[N-]S(=O)(=O)c1sc(Br)cc1C	ZINC000593279811	672901986	/nfs/dbraw/zinc/90/19/86/672901986.db2.gz	YQMIXTWCZURRHI-NSHDSACASA-N	-1	3	367.290	2.416	20	30		FEEDHM
COc1cccc2c1OCC[C@H]2[N-]S(=O)(=O)c1ccsc1C#N	ZINC000593539875	672937600	/nfs/dbraw/zinc/93/76/00/672937600.db2.gz	HVVVNBGMFANHPB-LLVKDONJSA-N	-1	3	350.421	2.430	20	30		FEEDHM
N#Cc1cc(S(=O)(=O)[N-][C@@H](C[C@H]2CCCO2)C(F)(F)F)ccc1F	ZINC000594488733	673091921	/nfs/dbraw/zinc/09/19/21/673091921.db2.gz	VICLQAAMSUFHJQ-MFKMUULPSA-N	-1	3	366.336	2.476	20	30		FEEDHM
C[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)c2ncnn21	ZINC000594805922	673149207	/nfs/dbraw/zinc/14/92/07/673149207.db2.gz	DYHUWJLWKAMOSA-KCJUWKMLSA-N	-1	3	371.344	2.153	20	30		FEEDHM
CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OC[C@@H]1C[C@H]1C	ZINC000729093997	673222791	/nfs/dbraw/zinc/22/27/91/673222791.db2.gz	ZIHLABZNWACHAO-IPYPFGDCSA-N	-1	3	364.467	2.339	20	30		FEEDHM
CC(C)[C@H]1CCCN1C(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000742583713	673731645	/nfs/dbraw/zinc/73/16/45/673731645.db2.gz	PJWHKVLLRVFXTM-UKRRQHHQSA-N	-1	3	363.483	2.151	20	30		FEEDHM
Cc1ccc(CS(=O)(=O)Cc2nc(C(F)(F)F)cc(=O)[n-]2)cc1C#N	ZINC000600659919	673787468	/nfs/dbraw/zinc/78/74/68/673787468.db2.gz	IBJWDBYTYSPFHS-UHFFFAOYSA-N	-1	3	371.340	2.496	20	30		FEEDHM
COc1ccc(C=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)cc1C	ZINC000746491630	673881190	/nfs/dbraw/zinc/88/11/90/673881190.db2.gz	GAXUXSFNHYEUJO-UHFFFAOYSA-N	-1	3	363.395	2.365	20	30		FEEDHM
O=C(N[C@@H]1CCCN([O-])C1=O)C1(c2cc(F)cc(C(F)(F)F)c2)CC1	ZINC000820470774	675364466	/nfs/dbraw/zinc/36/44/66/675364466.db2.gz	FUHWVNHQQUBANN-GFCCVEGCSA-N	-1	3	360.307	2.373	20	30		FEEDHM
Cc1ccc([N-]S(=O)(=O)CCC(C)(C)C#N)c(OCC(=O)N(C)C)c1	ZINC000568752549	675398175	/nfs/dbraw/zinc/39/81/75/675398175.db2.gz	GEJASQJCZNGMMU-UHFFFAOYSA-N	-1	3	367.471	2.144	20	30		FEEDHM
C=C(C)CN1CCC(NC(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1	ZINC000655868090	677668784	/nfs/dbraw/zinc/66/87/84/677668784.db2.gz	NUQJFIKOBBYJTF-VNQPRFMTSA-N	-1	3	351.491	2.462	20	30		FEEDHM
C=CCC[C@@H]([N-]S(=O)(=O)c1cnc(Cl)c(F)c1)C(=O)OCC	ZINC000832550702	680148350	/nfs/dbraw/zinc/14/83/50/680148350.db2.gz	SUDCPCCPXBHUJV-LLVKDONJSA-N	-1	3	350.799	2.050	20	30		FEEDHM
Cc1nc(C([O-])=C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)c(C)s1	ZINC000752476251	680244850	/nfs/dbraw/zinc/24/48/50/680244850.db2.gz	NKMINDWLLZFFIK-GFCCVEGCSA-N	-1	3	357.391	2.492	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H](C(C)C)C2)ccc1F	ZINC000755481114	680416809	/nfs/dbraw/zinc/41/68/09/680416809.db2.gz	ZZLHDTMVUZIXBI-CQSZACIVSA-N	-1	3	354.447	2.408	20	30		FEEDHM
CCN(CC)S(=O)(=O)c1ccc(N=NCc2ccc([O-])c(F)c2)nc1	ZINC000755562239	680421469	/nfs/dbraw/zinc/42/14/69/680421469.db2.gz	DMJRYOBNKWGRGL-UHFFFAOYSA-N	-1	3	366.418	2.403	20	30		FEEDHM
COc1cccc(C#CCOC(=O)c2ccc([N-]S(C)(=O)=O)cc2)c1	ZINC000759375134	680645270	/nfs/dbraw/zinc/64/52/70/680645270.db2.gz	YPTBYIURPNNQHG-UHFFFAOYSA-N	-1	3	359.403	2.275	20	30		FEEDHM
N#CCn1cc(NC(=O)c2c[n-]c3ccc(Br)cc3c2=O)cn1	ZINC000767776170	680925814	/nfs/dbraw/zinc/92/58/14/680925814.db2.gz	NXUFGSJLUHORDP-UHFFFAOYSA-N	-1	3	372.182	2.263	20	30		FEEDHM
O=C(COc1c(F)c(F)c([N+](=O)[O-])c(F)c1F)[N-]CC(F)(F)F	ZINC000842666131	680958358	/nfs/dbraw/zinc/95/83/58/680958358.db2.gz	WFFKKOPDGKCUKG-UHFFFAOYSA-N	-1	3	350.146	2.209	20	30		FEEDHM
C#C[C@H](CCC)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br	ZINC000770393056	681014889	/nfs/dbraw/zinc/01/48/89/681014889.db2.gz	KWDUERNZWDXDKL-SECBINFHSA-N	-1	3	361.217	2.438	20	30		FEEDHM
CC[C@@H]1CC[C@H](C)N1C(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000772873507	681115987	/nfs/dbraw/zinc/11/59/87/681115987.db2.gz	SJLGQBQYIRTGNE-HZSPNIEDSA-N	-1	3	363.483	2.293	20	30		FEEDHM
C#C[C@@H]([N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl)[C@H]1CCCO1	ZINC000773054006	681122824	/nfs/dbraw/zinc/12/28/24/681122824.db2.gz	RTYWNAHCPXYRIR-ZYHUDNBSSA-N	-1	3	358.803	2.016	20	30		FEEDHM
C=C(C)CO[N-]C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1	ZINC000846539763	681256228	/nfs/dbraw/zinc/25/62/28/681256228.db2.gz	NBNBLMRUOJFEJH-OAHLLOKOSA-N	-1	3	352.456	2.020	20	30		FEEDHM
C=C[C@H](C)O[N-]C(=O)CC[C@@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O	ZINC000846544284	681258146	/nfs/dbraw/zinc/25/81/46/681258146.db2.gz	GGDWJAQTRMBKGC-GWCFXTLKSA-N	-1	3	351.790	2.167	20	30		FEEDHM
O=C(N[C@H]1CCCN([O-])C1=O)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1	ZINC000848133012	681478151	/nfs/dbraw/zinc/47/81/51/681478151.db2.gz	RMCFHVUEDZLIEM-XQQFMLRXSA-N	-1	3	358.316	2.185	20	30		FEEDHM
O=C(Nc1ccnn1Cc1ccc(Cl)s1)N[C@@H]1CCCN([O-])C1=O	ZINC000933930824	681486597	/nfs/dbraw/zinc/48/65/97/681486597.db2.gz	XRLAYUXRUOFGNJ-SNVBAGLBSA-N	-1	3	369.834	2.148	20	30		FEEDHM
C[C@@H](CC(=O)O[C@H]1CC[C@@H](C)C1)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000779263373	681695175	/nfs/dbraw/zinc/69/51/75/681695175.db2.gz	WFUJZOKXYAAQHD-AGIUHOORSA-N	-1	3	350.440	2.236	20	30		FEEDHM
COC(=O)C1([N-]S(=O)(=O)Cc2csc(C#N)c2)CCCCCC1	ZINC000913887786	685487789	/nfs/dbraw/zinc/48/77/89/685487789.db2.gz	LDIPDXCILQYRDC-UHFFFAOYSA-N	-1	3	356.469	2.305	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)NCC2CC(C)(C)C2)ccc1F	ZINC000781116326	681903496	/nfs/dbraw/zinc/90/34/96/681903496.db2.gz	RULSVOVBBICCNV-UHFFFAOYSA-N	-1	3	354.447	2.456	20	30		FEEDHM
COCCn1cc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)c(C)n1	ZINC000782580885	682060089	/nfs/dbraw/zinc/06/00/89/682060089.db2.gz	CDXCSXYRBUKMAG-GFCCVEGCSA-N	-1	3	360.801	2.453	20	30		FEEDHM
N#Cc1cc(CS(=O)(=O)[N-]C[C@H](n2cccn2)C(F)(F)F)cs1	ZINC000917948503	685535913	/nfs/dbraw/zinc/53/59/13/685535913.db2.gz	WJOSVXABTCZRFF-NSHDSACASA-N	-1	3	364.374	2.039	20	30		FEEDHM
C=C(C)C[C@H]([N-]S(=O)(=O)Cc1c(C)cc(C#N)cc1C)C(=O)OC	ZINC000918792133	685542319	/nfs/dbraw/zinc/54/23/19/685542319.db2.gz	HHBVAEOIEQVNCO-INIZCTEOSA-N	-1	3	350.440	2.102	20	30		FEEDHM
CCN(CC1CCC1)C(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000794280015	682952132	/nfs/dbraw/zinc/95/21/32/682952132.db2.gz	DPAFDTVCZSEDGZ-CYBMUJFWSA-N	-1	3	363.483	2.152	20	30		FEEDHM
C#CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(C(=O)OC)s1	ZINC000796098581	683127288	/nfs/dbraw/zinc/12/72/88/683127288.db2.gz	WJAQUOMYTBKLCH-CQSZACIVSA-N	-1	3	363.460	2.448	20	30		FEEDHM
CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N(C)C1CCC1	ZINC000796683972	683185510	/nfs/dbraw/zinc/18/55/10/683185510.db2.gz	QWVFNIJLQVBKKR-HNNXBMFYSA-N	-1	3	363.483	2.295	20	30		FEEDHM
COC(=O)c1cc(S(=O)(=O)[N-]CC2(C#N)CC2)c(Cl)cc1Cl	ZINC000797463528	683253667	/nfs/dbraw/zinc/25/36/67/683253667.db2.gz	MQHKULYPFFEGNX-UHFFFAOYSA-N	-1	3	363.222	2.362	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2cncc(F)c2)ccc1F	ZINC000798536071	683360827	/nfs/dbraw/zinc/36/08/27/683360827.db2.gz	DSIWRBVFQZINGI-UHFFFAOYSA-N	-1	3	353.350	2.076	20	30		FEEDHM
C=CC(C)(C)CCNC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000862396396	683583758	/nfs/dbraw/zinc/58/37/58/683583758.db2.gz	OHCKYRREMQXWRK-ZDUSSCGKSA-N	-1	3	363.483	2.222	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)NCC(F)(F)CC)ccc1F	ZINC000862901400	683649422	/nfs/dbraw/zinc/64/94/22/683649422.db2.gz	MEJFVNMKFYIKTF-UHFFFAOYSA-N	-1	3	350.362	2.065	20	30		FEEDHM
COC(=O)[C@](C)(Cc1ccc(Cl)cc1)[N-]S(=O)(=O)CCCC#N	ZINC000867679219	684349712	/nfs/dbraw/zinc/34/97/12/684349712.db2.gz	STWMLTTXXYTHAC-HNNXBMFYSA-N	-1	3	358.847	2.037	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@H]2CCC[C@H]2C#N)ccc1F	ZINC000870673817	684743634	/nfs/dbraw/zinc/74/36/34/684743634.db2.gz	FQQNXAIBGKQNHK-ZFWWWQNUSA-N	-1	3	365.430	2.054	20	30		FEEDHM
O=C(Nc1ccc(Br)c(C2CC2)n1)N[C@H]1CCCN([O-])C1=O	ZINC000879660174	686881794	/nfs/dbraw/zinc/88/17/94/686881794.db2.gz	NYKAISCODJGELL-JTQLQIEISA-N	-1	3	369.219	2.223	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H](CF)C2)ccc1F	ZINC000893416056	689344746	/nfs/dbraw/zinc/34/47/46/689344746.db2.gz	VHFFOZISUUHZNE-GFCCVEGCSA-N	-1	3	358.410	2.112	20	30		FEEDHM
C[C@@H](C(=O)N([O-])CCCCc1ccccc1)S(=O)(=O)C1CCOCC1	ZINC000904196978	691012009	/nfs/dbraw/zinc/01/20/09/691012009.db2.gz	MMVRGWBQYGONKY-HNNXBMFYSA-N	-1	3	369.483	2.209	20	30		FEEDHM
C#CCN(C)CCCNC(=O)N[C@H](C(=O)[O-])c1cccc2ccccc21	ZINC000909036813	939372535	/nfs/dbraw/zinc/37/25/35/939372535.db2.gz	AGRQHGHWJQQHEW-SFHVURJKSA-N	-1	3	353.422	2.220	20	30		FEEDHM
Cc1ncc(CO)c(/C=N/C[C@@H](C)N2CCN(c3ccccc3)CC2)c1[O-]	ZINC000031643265	539914258	/nfs/dbraw/zinc/91/42/58/539914258.db2.gz	MDSINNHGVGHODJ-CAUNFOBBSA-N	-1	3	368.481	2.218	20	30		FEEDHM
CCC[C@@H](C#N)NC(=O)c1cc(C(C)C)nc2c1c(=O)[n-]c(=O)n2CCC	ZINC000060341991	541105721	/nfs/dbraw/zinc/10/57/21/541105721.db2.gz	LKRCBUNCJYFDJT-LBPRGKRZSA-N	-1	3	371.441	2.040	20	30		FEEDHM
Cc1ccc(C#N)cc1NC(=O)CC[N-]S(=O)(=O)c1ccccc1F	ZINC000064069927	541193853	/nfs/dbraw/zinc/19/38/53/541193853.db2.gz	BMFWPJYUCFSSIQ-UHFFFAOYSA-N	-1	3	361.398	2.313	20	30		FEEDHM
Cc1cc([N-]C(=O)[C@H](C)N2CCN([C@@H](C#N)c3ccccc3)CC2)on1	ZINC000078454289	542462355	/nfs/dbraw/zinc/46/23/55/542462355.db2.gz	YEJJJLQQSAYABE-RDJZCZTQSA-N	-1	3	353.426	2.193	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCO[C@H](c2ccccc2)C1	ZINC000078777475	542481040	/nfs/dbraw/zinc/48/10/40/542481040.db2.gz	XMAIMFXPSGZYIP-IBGZPJMESA-N	-1	3	365.433	2.396	20	30		FEEDHM
CCc1ccc([C@H](CO)NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1	ZINC000092680637	542881162	/nfs/dbraw/zinc/88/11/62/542881162.db2.gz	WWEPULUHXBYJFV-IBGZPJMESA-N	-1	3	367.449	2.208	20	30		FEEDHM
COC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(F)c(C#N)c1)c1cccs1	ZINC000103153164	543095067	/nfs/dbraw/zinc/09/50/67/543095067.db2.gz	DTDMUGVLJSQQIX-ZDUSSCGKSA-N	-1	3	368.411	2.342	20	30		FEEDHM
C[C@H]1CCC[C@](C#N)(NC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)C1	ZINC000116805143	543616562	/nfs/dbraw/zinc/61/65/62/543616562.db2.gz	YJPABSFFPHWFRM-ZBEGNZNMSA-N	-1	3	353.419	2.399	20	30		FEEDHM
C[C@H]1CCC[C@@](C#N)(NC(=O)CC[N-]S(=O)(=O)c2ccccc2F)C1	ZINC000116812485	543617217	/nfs/dbraw/zinc/61/72/17/543617217.db2.gz	QHKKMIYHPUGYIM-SUMWQHHRSA-N	-1	3	367.446	2.083	20	30		FEEDHM
C=CC[C@H](C)NC(=O)[C@@H](CCSC)[N-]S(=O)(=O)c1ccccc1F	ZINC000116858476	543618330	/nfs/dbraw/zinc/61/83/30/543618330.db2.gz	MOGPZHMXOUDKEH-GXTWGEPZSA-N	-1	3	374.503	2.307	20	30		FEEDHM
CS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)c1	ZINC000123710018	543778449	/nfs/dbraw/zinc/77/84/49/543778449.db2.gz	OWZIRBXPJCDEIN-UHFFFAOYSA-N	-1	3	370.839	2.416	20	30		FEEDHM
COC(=O)c1ccccc1N(C)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C	ZINC000125456312	543882380	/nfs/dbraw/zinc/88/23/80/543882380.db2.gz	KCYQLNCCSKNBRZ-UHFFFAOYSA-N	-1	3	367.405	2.246	20	30		FEEDHM
C=C(C)CN(CC)S(=O)(=O)c1ccc([N-]S(=O)(=O)CC)c(F)c1	ZINC000126920732	543963320	/nfs/dbraw/zinc/96/33/20/543963320.db2.gz	KHRNZWLFSMSXHX-UHFFFAOYSA-N	-1	3	364.464	2.174	20	30		FEEDHM
N#CC1(c2ccccc2)CC(NCC[N-]S(=O)(=O)c2cccs2)C1	ZINC000128134657	544034724	/nfs/dbraw/zinc/03/47/24/544034724.db2.gz	DICUKZPWLYXITF-UHFFFAOYSA-N	-1	3	361.492	2.240	20	30		FEEDHM
Cc1noc(C)c1C[C@@H](C)NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C	ZINC000130553945	544155657	/nfs/dbraw/zinc/15/56/57/544155657.db2.gz	GTTRFMCJWNDZJE-SNVBAGLBSA-N	-1	3	356.426	2.148	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]Cc2ccn(-c3ccccc3)n2)c(F)c1	ZINC000151082222	544502838	/nfs/dbraw/zinc/50/28/38/544502838.db2.gz	ZBCNHKGFMFMBMZ-UHFFFAOYSA-N	-1	3	356.382	2.362	20	30		FEEDHM
CN(C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)c1cccc(C#N)c1	ZINC000153990519	544850109	/nfs/dbraw/zinc/85/01/09/544850109.db2.gz	RXQDXCUTFBUSFC-UHFFFAOYSA-N	-1	3	369.855	2.214	20	30		FEEDHM
C=CCN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCCO2)c1	ZINC000154159626	544871445	/nfs/dbraw/zinc/87/14/45/544871445.db2.gz	PPPGXYIXTREWRN-ZDUSSCGKSA-N	-1	3	372.874	2.055	20	30		FEEDHM
N#Cc1cccnc1-n1cc([N-]S(=O)(=O)Cc2ccc(F)cc2)cn1	ZINC000185580647	327923465	/nfs/dbraw/zinc/92/34/65/327923465.db2.gz	JILNEQRKFDUROD-UHFFFAOYSA-N	-1	3	357.370	2.220	20	30		FEEDHM
Cc1nn(C)c(C)c1CC[N-]S(=O)(=O)c1cc(C#N)ccc1Cl	ZINC000186262250	327954233	/nfs/dbraw/zinc/95/42/33/327954233.db2.gz	RGENUGFQMVQGOJ-UHFFFAOYSA-N	-1	3	352.847	2.083	20	30		FEEDHM
Cc1ccc(C[C@@H](CO)[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)cc1	ZINC000188363301	328082855	/nfs/dbraw/zinc/08/28/55/328082855.db2.gz	BAWOQDUGNJDNJQ-HNNXBMFYSA-N	-1	3	364.854	2.402	20	30		FEEDHM
CCO[C@@H]1C[C@@](O)(C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)C1(C)C	ZINC000188474873	328089337	/nfs/dbraw/zinc/08/93/37/328089337.db2.gz	HCVZVEBSUQRYPO-GDBMZVCRSA-N	-1	3	372.874	2.056	20	30		FEEDHM
CCO[C@H]1C[C@@](O)(C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)C1(C)C	ZINC000188483579	328089992	/nfs/dbraw/zinc/08/99/92/328089992.db2.gz	WEEPZNQJOPRIMG-GOEBONIOSA-N	-1	3	372.874	2.056	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCO[C@H]1c1ccccc1	ZINC000080984119	325152035	/nfs/dbraw/zinc/15/20/35/325152035.db2.gz	RQOIOJZJDVTSTE-QUCCMNQESA-N	-1	3	365.433	2.442	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC1(CCO)CCCCC1	ZINC000135800849	326647596	/nfs/dbraw/zinc/64/75/96/326647596.db2.gz	ILTGCIZUSPXJIP-UHFFFAOYSA-N	-1	3	359.470	2.245	20	30		FEEDHM
C[C@@H](Cc1cccs1)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000156421421	326830797	/nfs/dbraw/zinc/83/07/97/326830797.db2.gz	WNNDWXIRNANIIF-JTQLQIEISA-N	-1	3	351.409	2.437	20	30		FEEDHM
N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCN(c2ccccn2)C1	ZINC000159308628	326926661	/nfs/dbraw/zinc/92/66/61/326926661.db2.gz	DZPWGJWQOXVKRW-AWEZNQCLSA-N	-1	3	362.842	2.164	20	30		FEEDHM
COC(=O)c1cc(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)oc1C	ZINC000178508356	327589441	/nfs/dbraw/zinc/58/94/41/327589441.db2.gz	RKCVOHJUQVSEJF-UHFFFAOYSA-N	-1	3	368.798	2.378	20	30		FEEDHM
N#Cc1cc(F)ccc1S(=O)(=O)[N-]Cc1ccccc1-n1cccn1	ZINC000178526181	327590513	/nfs/dbraw/zinc/59/05/13/327590513.db2.gz	CRVPZHDOBXEDOC-UHFFFAOYSA-N	-1	3	356.382	2.362	20	30		FEEDHM
COc1cc(C(=O)N2CCN(c3cccc(F)c3C#N)CC2)ccc1[O-]	ZINC000268068856	329382102	/nfs/dbraw/zinc/38/21/02/329382102.db2.gz	IWTALURLAOKLNI-UHFFFAOYSA-N	-1	3	355.369	2.374	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCC[C@H]2CCO)c(C(F)(F)F)c1	ZINC000275194140	330020747	/nfs/dbraw/zinc/02/07/47/330020747.db2.gz	PKFMRZFDDPRQNV-AAEUAGOBSA-N	-1	3	362.373	2.406	20	30		FEEDHM
C#CCCCS(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)OC1CCCC1	ZINC000805039968	674314707	/nfs/dbraw/zinc/31/47/07/674314707.db2.gz	CWJZTJBDALCCTB-SFHVURJKSA-N	-1	3	363.479	2.416	20	30		FEEDHM
N#Cc1cc(F)ccc1S(=O)(=O)[N-]C1CCN(c2ccccn2)CC1	ZINC000156495414	545630985	/nfs/dbraw/zinc/63/09/85/545630985.db2.gz	SZSLPNLLXLQPPM-UHFFFAOYSA-N	-1	3	360.414	2.040	20	30		FEEDHM
N#Cc1cc(F)ccc1S(=O)(=O)[N-]Cc1ccc2c(c1)OCCCO2	ZINC000157131937	545703831	/nfs/dbraw/zinc/70/38/31/545703831.db2.gz	MLQOCNMEDCYQNU-UHFFFAOYSA-N	-1	3	362.382	2.337	20	30		FEEDHM
Cc1nc([C@H]([N-]S(=O)(=O)c2cccc(C)c2C#N)c2ccccc2)n[nH]1	ZINC000157141756	545705907	/nfs/dbraw/zinc/70/59/07/545705907.db2.gz	LCOJWTVHTSQAMD-QGZVFWFLSA-N	-1	3	367.434	2.361	20	30		FEEDHM
COc1cccc(-c2noc([C@@H](C)[N-]S(=O)(=O)CCCC#N)n2)c1	ZINC000174033141	546289974	/nfs/dbraw/zinc/28/99/74/546289974.db2.gz	VHXYSTHYUGMXMD-LLVKDONJSA-N	-1	3	350.400	2.029	20	30		FEEDHM
COc1ccc(CS(=O)(=O)c2nnc(Cc3ccccc3)[n-]2)cc1C#N	ZINC000479660623	561194216	/nfs/dbraw/zinc/19/42/16/561194216.db2.gz	NBTPGPOJLKFKDA-UHFFFAOYSA-N	-1	3	368.418	2.250	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@@H](C#N)C1CCCCC1	ZINC000176641510	546471932	/nfs/dbraw/zinc/47/19/32/546471932.db2.gz	IYFSLTXCXBFDSN-AAEUAGOBSA-N	-1	3	355.485	2.004	20	30		FEEDHM
C=CCOC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)OC	ZINC000481580112	561236554	/nfs/dbraw/zinc/23/65/54/561236554.db2.gz	IXVBZTKRUHCLKX-NSHDSACASA-N	-1	3	368.238	2.016	20	30		FEEDHM
Cn1ncc2c1ncc(C(=O)NCCSCc1ccccc1C#N)c2[O-]	ZINC000181722719	547366877	/nfs/dbraw/zinc/36/68/77/547366877.db2.gz	IDRHRAIWHJLWLF-UHFFFAOYSA-N	-1	3	367.434	2.209	20	30		FEEDHM
CC(C)n1nccc1[C@H]1OCC[C@@H]1[N-]S(=O)(=O)CC1(C#N)CCCC1	ZINC000484001972	561289249	/nfs/dbraw/zinc/28/92/49/561289249.db2.gz	DXRKUWNIQJDUOR-HOCLYGCPSA-N	-1	3	366.487	2.297	20	30		FEEDHM
CC[C@@H](CC#N)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1	ZINC000183958373	547745442	/nfs/dbraw/zinc/74/54/42/547745442.db2.gz	DIGCVCNNGPTTSM-LBPRGKRZSA-N	-1	3	355.435	2.325	20	30		FEEDHM
C=CCCS(=O)(=O)[N-][C@H]1CCN(c2ccccc2C(F)(F)F)C1=O	ZINC000186148876	548091668	/nfs/dbraw/zinc/09/16/68/548091668.db2.gz	KROHGGWMMKINBX-LBPRGKRZSA-N	-1	3	362.373	2.306	20	30		FEEDHM
CC(C#N)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1	ZINC000192127705	548359004	/nfs/dbraw/zinc/35/90/04/548359004.db2.gz	MMHLLONLBJWHHR-SNVBAGLBSA-N	-1	3	356.450	2.235	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(-c2nc(C[C@H]3CCCO3)no2)ccc1F	ZINC000264566386	549997722	/nfs/dbraw/zinc/99/77/22/549997722.db2.gz	BNMXZAGOBZYBRN-GFCCVEGCSA-N	-1	3	367.402	2.062	20	30		FEEDHM
C=CCn1c(SCCCOC([O-])=NC(N)=O)nnc1-c1ccco1	ZINC000265012507	550004829	/nfs/dbraw/zinc/00/48/29/550004829.db2.gz	OTMAWGPIRXAKAB-UHFFFAOYSA-N	-1	3	351.388	2.011	20	30		FEEDHM
C=CCn1c(SCCCOC(=O)N=C(N)[O-])nnc1-c1ccco1	ZINC000265012507	550004832	/nfs/dbraw/zinc/00/48/32/550004832.db2.gz	OTMAWGPIRXAKAB-UHFFFAOYSA-N	-1	3	351.388	2.011	20	30		FEEDHM
C=CCn1c(SCCCOC(=O)[N-]C(N)=O)nnc1-c1ccco1	ZINC000265012507	550004835	/nfs/dbraw/zinc/00/48/35/550004835.db2.gz	OTMAWGPIRXAKAB-UHFFFAOYSA-N	-1	3	351.388	2.011	20	30		FEEDHM
CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)[C@H](C)CC#N)cc1	ZINC000265635012	550012881	/nfs/dbraw/zinc/01/28/81/550012881.db2.gz	GKFJEEBVIKPJBZ-CYBMUJFWSA-N	-1	3	373.500	2.151	20	30		FEEDHM
COc1ccccc1-c1noc([C@H](C)[N-]S(=O)(=O)CCCC#N)n1	ZINC000266260189	550018929	/nfs/dbraw/zinc/01/89/29/550018929.db2.gz	DLPVTPYDQLGXBZ-NSHDSACASA-N	-1	3	350.400	2.029	20	30		FEEDHM
C#CCN(CC)C(=O)C(=O)[N-]c1scc(CC(C)C)c1C(=O)OC	ZINC000266572845	550021524	/nfs/dbraw/zinc/02/15/24/550021524.db2.gz	RRVGDKGUWDIDKI-UHFFFAOYSA-N	-1	3	350.440	2.153	20	30		FEEDHM
CCc1cc(N2CCC(/N=C/c3c([O-])c(C)ncc3CO)CC2)ncn1	ZINC000267041907	550026980	/nfs/dbraw/zinc/02/69/80/550026980.db2.gz	CVFGHAIXKMYEKV-UFFVCSGVSA-N	-1	3	355.442	2.028	20	30		FEEDHM
N#Cc1ccnc(N2CCC(C(=O)Nc3ccccc3[O-])CC2)c1[N+](=O)[O-]	ZINC000268486189	550074682	/nfs/dbraw/zinc/07/46/82/550074682.db2.gz	MNMZGOPMRFUZPG-UHFFFAOYSA-N	-1	3	367.365	2.422	20	30		FEEDHM
C=CCCO[C@H](C)c1nc(-c2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)no1	ZINC000274043874	550520919	/nfs/dbraw/zinc/52/09/19/550520919.db2.gz	UPGWIIGZVHWKCE-ADLMAVQZSA-N	-1	3	356.382	2.445	20	30		FEEDHM
N#Cc1cccc(CS(=O)(=O)[N-]C2(C(=O)Nc3ccccc3)CC2)c1	ZINC000494593503	561472173	/nfs/dbraw/zinc/47/21/73/561472173.db2.gz	DWWHHAKNQWOFET-UHFFFAOYSA-N	-1	3	355.419	2.149	20	30		FEEDHM
C[C@H]1CCC[C@@](C#N)([N-]S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)C1	ZINC000274760047	550552651	/nfs/dbraw/zinc/55/26/51/550552651.db2.gz	QRNKQVPSBAARME-APPDUMDISA-N	-1	3	365.430	2.461	20	30		FEEDHM
C=CCOc1ccc(CN(C(=O)c2cn(C)c(=O)[n-]c2=O)C(C)(C)C)cc1	ZINC000276080329	550576474	/nfs/dbraw/zinc/57/64/74/550576474.db2.gz	BDQMJMHJBTWYDF-UHFFFAOYSA-N	-1	3	371.437	2.492	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1OC	ZINC000276974571	550617251	/nfs/dbraw/zinc/61/72/51/550617251.db2.gz	XKFRJRHXNZPUDE-UHFFFAOYSA-N	-1	3	365.205	2.139	20	30		FEEDHM
O=C([N-]CC(F)(F)F)C(=O)N[C@@H](c1c(F)cccc1F)C(F)(F)F	ZINC000278535521	550796618	/nfs/dbraw/zinc/79/66/18/550796618.db2.gz	ZLKYJDIFIGOYPI-QMMMGPOBSA-N	-1	3	364.192	2.363	20	30		FEEDHM
C#CCn1ccc(CN(CC)C(=O)c2c[n-]c3cc(OC)ccc3c2=O)n1	ZINC000279747649	550924572	/nfs/dbraw/zinc/92/45/72/550924572.db2.gz	SIMUVMXAGADPPY-UHFFFAOYSA-N	-1	3	364.405	2.441	20	30		FEEDHM
C=C(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cncc(Br)c1	ZINC000280489849	550999791	/nfs/dbraw/zinc/99/97/91/550999791.db2.gz	AZZBUUKAMNABNF-MFKMUULPSA-N	-1	3	361.261	2.104	20	30		FEEDHM
C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1	ZINC000280499265	551000553	/nfs/dbraw/zinc/00/05/53/551000553.db2.gz	BWDNGDBCCVRRED-QMTHXVAHSA-N	-1	3	374.390	2.002	20	30		FEEDHM
CCCOc1ccc(/C=N/c2cccc(C(=O)N(C)CC(N)=O)c2)c([O-])c1	ZINC000284160245	551494736	/nfs/dbraw/zinc/49/47/36/551494736.db2.gz	ZYMLTJPBGABIHZ-WSDLNYQXSA-N	-1	3	369.421	2.489	20	30		FEEDHM
CCOC(=O)c1nnc(C2CCN(c3nc(Cl)c(C#N)s3)CC2)[n-]1	ZINC000286148396	551854337	/nfs/dbraw/zinc/85/43/37/551854337.db2.gz	ALSIFRRIEQCJDS-UHFFFAOYSA-N	-1	3	366.834	2.347	20	30		FEEDHM
CCOC(=O)c1nc(C2CCN(c3nc(Cl)c(C#N)s3)CC2)n[n-]1	ZINC000286148396	551854338	/nfs/dbraw/zinc/85/43/38/551854338.db2.gz	ALSIFRRIEQCJDS-UHFFFAOYSA-N	-1	3	366.834	2.347	20	30		FEEDHM
CCOC(=O)c1n[n-]c(C2CCN(c3nc(Cl)c(C#N)s3)CC2)n1	ZINC000286148396	551854340	/nfs/dbraw/zinc/85/43/40/551854340.db2.gz	ALSIFRRIEQCJDS-UHFFFAOYSA-N	-1	3	366.834	2.347	20	30		FEEDHM
CC#CCCNC(=O)c1cc(C(C)C)nc2c1c(=O)[n-]c(=O)n2CCC	ZINC000499019633	561541173	/nfs/dbraw/zinc/54/11/73/561541173.db2.gz	MGXJABIJOIIUSW-UHFFFAOYSA-N	-1	3	356.426	2.174	20	30		FEEDHM
C[C@H](CC#N)N(C)C(=O)C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1	ZINC000290459031	552482030	/nfs/dbraw/zinc/48/20/30/552482030.db2.gz	TZJFFEIYMYTMPZ-SECBINFHSA-N	-1	3	364.254	2.032	20	30		FEEDHM
CCCC[C@@H](ON=C(C)C)C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C	ZINC000291519764	552633484	/nfs/dbraw/zinc/63/34/84/552633484.db2.gz	JNPRUWKWSZCTPU-MRXNPFEDSA-N	-1	3	362.430	2.492	20	30		FEEDHM
C=CCCCS(=O)(=O)[N-][C@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000293075945	552786431	/nfs/dbraw/zinc/78/64/31/552786431.db2.gz	SBZRJLNNZBURBU-MRXNPFEDSA-N	-1	3	350.440	2.138	20	30		FEEDHM
CCc1ccc([C@H](O)C[N-]S(=O)(=O)Cc2ccc(F)cc2C#N)cc1	ZINC000296179176	553117860	/nfs/dbraw/zinc/11/78/60/553117860.db2.gz	VFUNOYISSFCQEX-GOSISDBHSA-N	-1	3	362.426	2.413	20	30		FEEDHM
C[C@@H](C(=O)Nc1cccc2ncccc21)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1	ZINC000328931874	553847139	/nfs/dbraw/zinc/84/71/39/553847139.db2.gz	ZXEANFQBLFZBDR-NHYWBVRUSA-N	-1	3	353.382	2.288	20	30		FEEDHM
C[C@H]1CC[C@H](C)N1CC(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-]	ZINC000329118246	553883648	/nfs/dbraw/zinc/88/36/48/553883648.db2.gz	OIBFCWRJAXOGLP-RYUDHWBXSA-N	-1	3	367.471	2.294	20	30		FEEDHM
Cn1cnc(S(=O)(=O)[N-]CC(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)c1	ZINC000329184539	553897859	/nfs/dbraw/zinc/89/78/59/553897859.db2.gz	OIWABAOBASUHCR-MELADBBJSA-N	-1	3	354.476	2.014	20	30		FEEDHM
O=C(Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)N1C[C@@H]2CCC[C@@H]21	ZINC000329469845	553952655	/nfs/dbraw/zinc/95/26/55/553952655.db2.gz	YIYWWBQNFIUCIO-HZMBPMFUSA-N	-1	3	353.419	2.296	20	30		FEEDHM
N#Cc1c(Br)cccc1S(=O)(=O)[N-]C[C@H]1CCCS1	ZINC000330663864	554153175	/nfs/dbraw/zinc/15/31/75/554153175.db2.gz	FKJCJCZEGDJRPD-SECBINFHSA-N	-1	3	361.286	2.495	20	30		FEEDHM
Cc1nc(C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)ccc1C#N	ZINC000332529187	554464036	/nfs/dbraw/zinc/46/40/36/554464036.db2.gz	FAUDWDNNFQKQJB-UHFFFAOYSA-N	-1	3	364.405	2.002	20	30		FEEDHM
CC(C)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)c1nncn1C	ZINC000510450841	561835105	/nfs/dbraw/zinc/83/51/05/561835105.db2.gz	YDWJIOAFXFIWDL-CYBMUJFWSA-N	-1	3	353.835	2.016	20	30		FEEDHM
CC[C@@H](C)[C@H]([N-]S(C)(=O)=O)C(=O)Nc1cccc(OCCCC#N)c1	ZINC000510395858	561833464	/nfs/dbraw/zinc/83/34/64/561833464.db2.gz	JVEHHCQIRQZVIL-CJNGLKHVSA-N	-1	3	367.471	2.272	20	30		FEEDHM
Cn1cc(C#N)c(=NC(=O)NCC2(N3CCSCC3)CCCCC2)[n-]1	ZINC000610560376	554528589	/nfs/dbraw/zinc/52/85/89/554528589.db2.gz	CJHLPOOQDGPZTE-UHFFFAOYSA-N	-1	3	362.503	2.165	20	30		FEEDHM
Cc1ccccc1CN1CCCN(C(=O)N=c2[n-]n(C)cc2C#N)CC1	ZINC000610562925	554529365	/nfs/dbraw/zinc/52/93/65/554529365.db2.gz	KZVYFYMHLADGLA-UHFFFAOYSA-N	-1	3	352.442	2.340	20	30		FEEDHM
C=C(C)[C@H]1OCC[C@H]1C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1	ZINC000333038501	554562981	/nfs/dbraw/zinc/56/29/81/554562981.db2.gz	JBOYCRDHWBRXFK-SJLPKXTDSA-N	-1	3	358.438	2.094	20	30		FEEDHM
N#Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2cccc(-c3nc[nH]n3)c2)c1	ZINC000363703579	555167667	/nfs/dbraw/zinc/16/76/67/555167667.db2.gz	RRKCEWKOINLGGU-UHFFFAOYSA-N	-1	3	373.825	2.475	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-][C@@H]2C[C@@H]3OCCC[C@H]23)c(C(F)(F)F)c1	ZINC000364841317	555413287	/nfs/dbraw/zinc/41/32/87/555413287.db2.gz	SIBMOHHCNGDCJC-RTXFEEFZSA-N	-1	3	360.357	2.423	20	30		FEEDHM
C=C(C)[C@H]1OCCC[C@H]1C(=O)NC1CCN(C(=O)c2cccc([O-])c2)CC1	ZINC000365929247	555703444	/nfs/dbraw/zinc/70/34/44/555703444.db2.gz	HRJDNLCMDYWWJB-RTBURBONSA-N	-1	3	372.465	2.484	20	30		FEEDHM
CCO[C@@H]1C[C@H]([N-]S(=O)(=O)CC2(C#N)CCC2)[C@@H]1Oc1ccccc1	ZINC000514693079	561974349	/nfs/dbraw/zinc/97/43/49/561974349.db2.gz	DHHNTIULRIZYAG-BBWFWOEESA-N	-1	3	364.467	2.225	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc(OC(F)F)cn2)c(F)c1	ZINC000515981122	562027036	/nfs/dbraw/zinc/02/70/36/562027036.db2.gz	MGUMWRCPHAXKQY-UHFFFAOYSA-N	-1	3	357.313	2.172	20	30		FEEDHM
N#Cc1cccc(-n2ccc(C(=O)N=c3cc(-c4ccncc4)[n-][nH]3)n2)c1	ZINC000369864312	556716040	/nfs/dbraw/zinc/71/60/40/556716040.db2.gz	OBJYFIHNPLYEHA-UHFFFAOYSA-N	-1	3	355.361	2.781	20	30		FEEDHM
C=CCn1c(=O)[n-]nc1SCC(=O)N1c2ccccc2NC(=O)C1(C)C	ZINC000370479866	556885163	/nfs/dbraw/zinc/88/51/63/556885163.db2.gz	IWZXAGCLUIOZDX-UHFFFAOYSA-N	-1	3	373.438	2.026	20	30		FEEDHM
CC(C)(C#N)CCCN1CCC[C@H](c2n[nH]cc2[N-]S(C)(=O)=O)C1	ZINC000371551287	557219725	/nfs/dbraw/zinc/21/97/25/557219725.db2.gz	DULNZYPVAUASII-ZDUSSCGKSA-N	-1	3	353.492	2.291	20	30		FEEDHM
CS(=O)(=O)[N-]c1c[nH]nc1[C@@H]1CCCN(Cc2ccc(C#N)s2)C1	ZINC000371610037	557238778	/nfs/dbraw/zinc/23/87/78/557238778.db2.gz	YRZQQQBFWCZAGR-LLVKDONJSA-N	-1	3	365.484	2.094	20	30		FEEDHM
N#Cc1ccccc1/C=C/C(=O)N1CC(S(=O)(=O)[N-]c2ccccc2)C1	ZINC000371618895	557241411	/nfs/dbraw/zinc/24/14/11/557241411.db2.gz	MHYLSZQRIUCBDO-ZHACJKMWSA-N	-1	3	367.430	2.224	20	30		FEEDHM
C=C(C)[C@@H](CC(=O)N1CC(S(=O)(=O)[N-]c2ccccc2)C1)OCC	ZINC000371629183	557245042	/nfs/dbraw/zinc/24/50/42/557245042.db2.gz	OMBQSYVMTQTFLG-MRXNPFEDSA-N	-1	3	352.456	2.010	20	30		FEEDHM
COC(=O)c1ccc(C[N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)o1	ZINC000518599888	562114951	/nfs/dbraw/zinc/11/49/51/562114951.db2.gz	WBTITZFRTHTSCJ-UHFFFAOYSA-N	-1	3	354.771	2.070	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]Cc2nnc(C3CC3)s2)c(Cl)c1	ZINC000519753228	562142581	/nfs/dbraw/zinc/14/25/81/562142581.db2.gz	VDKHNSZIOIKQGR-UHFFFAOYSA-N	-1	3	354.844	2.419	20	30		FEEDHM
Cc1nc([C@@H]([N-]S(=O)(=O)c2ccc(C#N)s2)c2ccccc2)n[nH]1	ZINC000373819535	557766359	/nfs/dbraw/zinc/76/63/59/557766359.db2.gz	LQPCKJSRSYHEFM-AWEZNQCLSA-N	-1	3	359.436	2.114	20	30		FEEDHM
CS(=O)(=O)[N-]c1c[nH]nc1[C@@H]1CCCN(Cc2cccc(C#N)c2)C1	ZINC000374818193	557935972	/nfs/dbraw/zinc/93/59/72/557935972.db2.gz	JHQZRVRGPZZRAR-OAHLLOKOSA-N	-1	3	359.455	2.032	20	30		FEEDHM
N#Cc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)cnc1C(F)(F)F	ZINC000521278975	562173526	/nfs/dbraw/zinc/17/35/26/562173526.db2.gz	VGKQGMWLIGKOSV-UHFFFAOYSA-N	-1	3	359.271	2.404	20	30		FEEDHM
N#Cc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cnc1C(F)(F)F	ZINC000521278975	562173527	/nfs/dbraw/zinc/17/35/27/562173527.db2.gz	VGKQGMWLIGKOSV-UHFFFAOYSA-N	-1	3	359.271	2.404	20	30		FEEDHM
Cn1cc([C@@H]([N-]S(=O)(=O)c2ccccc2C#N)c2ccccc2)cn1	ZINC000376355762	558162308	/nfs/dbraw/zinc/16/23/08/558162308.db2.gz	TYZIMCCTEYVWBY-SFHVURJKSA-N	-1	3	352.419	2.360	20	30		FEEDHM
N#Cc1cnccc1[N-]C(=O)c1cn(-c2ccccc2C(F)(F)F)nn1	ZINC000522723879	562202689	/nfs/dbraw/zinc/20/26/89/562202689.db2.gz	ZRKJDGCOMWUGJF-UHFFFAOYSA-N	-1	3	358.283	2.227	20	30		FEEDHM
COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2F)cc1OC	ZINC000410379114	558754134	/nfs/dbraw/zinc/75/41/34/558754134.db2.gz	BJGMZHUSYGNSND-UHFFFAOYSA-N	-1	3	364.354	2.293	20	30		FEEDHM
C=CCN(CC=C)[C@H](CNC(=O)c1c[n-]c2ccncc2c1=O)C(C)C	ZINC000411370022	558886196	/nfs/dbraw/zinc/88/61/96/558886196.db2.gz	SBLNQDHLQBWYIQ-GOSISDBHSA-N	-1	3	354.454	2.352	20	30		FEEDHM
O=C([N-][C@@H](c1cccc(F)c1F)C(F)(F)F)C(=O)NC(CF)CF	ZINC000411569993	558919704	/nfs/dbraw/zinc/91/97/04/558919704.db2.gz	NSCHGHZXPZSTFZ-JTQLQIEISA-N	-1	3	360.229	2.108	20	30		FEEDHM
N#Cc1cnc(N2CCC([N-]S(=O)(=O)c3cccs3)CC2)c(F)c1	ZINC000413040668	559071594	/nfs/dbraw/zinc/07/15/94/559071594.db2.gz	WPGVHTXDXGNBBQ-UHFFFAOYSA-N	-1	3	366.443	2.101	20	30		FEEDHM
N#C[C@H]([N-]S(=O)(=O)c1cnc2n1CCC2)c1cccc(C(F)(F)F)c1	ZINC000527107576	562276823	/nfs/dbraw/zinc/27/68/23/562276823.db2.gz	AZODTCJHYCUAPA-LBPRGKRZSA-N	-1	3	370.356	2.391	20	30		FEEDHM
N#CC1(CNC(=O)Cc2csc(NC(=O)c3cccc([O-])c3)n2)CCC1	ZINC000416347289	559306815	/nfs/dbraw/zinc/30/68/15/559306815.db2.gz	OEKRKNUGPLOYOH-UHFFFAOYSA-N	-1	3	370.434	2.454	20	30		FEEDHM
N#Cc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CCO[C@@H]1C1CC1	ZINC000416441706	559313126	/nfs/dbraw/zinc/31/31/26/559313126.db2.gz	RLLGUNZGNLGCND-TZMCWYRMSA-N	-1	3	371.256	2.167	20	30		FEEDHM
COCC1([N-]S(=O)(=O)c2cc(Br)ccc2C#N)CCC1	ZINC000416478900	559316270	/nfs/dbraw/zinc/31/62/70/559316270.db2.gz	FPZICXLSYYJNLI-UHFFFAOYSA-N	-1	3	359.245	2.168	20	30		FEEDHM
CC(C)(CO)CC[N-]S(=O)(=O)c1cc(Br)ccc1C#N	ZINC000416493533	559317368	/nfs/dbraw/zinc/31/73/68/559317368.db2.gz	HMMXZYHJTOMJBF-UHFFFAOYSA-N	-1	3	361.261	2.008	20	30		FEEDHM
CC1(C)OCC[C@@H]1[N-]S(=O)(=O)c1cc(Br)ccc1C#N	ZINC000416498348	559317953	/nfs/dbraw/zinc/31/79/53/559317953.db2.gz	VAMYXFQHOXXEEL-LBPRGKRZSA-N	-1	3	359.245	2.167	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)c1ccn(C)n1	ZINC000416560465	559321897	/nfs/dbraw/zinc/32/18/97/559321897.db2.gz	MZLILYNQSYUJCZ-VIFPVBQESA-N	-1	3	358.345	2.350	20	30		FEEDHM
N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@H]1CCC[C@@H](CO)C1	ZINC000416645976	559327363	/nfs/dbraw/zinc/32/73/63/559327363.db2.gz	GKKJPXCABWJUIH-MNOVXSKESA-N	-1	3	373.272	2.150	20	30		FEEDHM
N#CC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCC1	ZINC000416664709	559328480	/nfs/dbraw/zinc/32/84/80/559328480.db2.gz	BSODEYWYWVLBEC-UHFFFAOYSA-N	-1	3	374.216	2.329	20	30		FEEDHM
Cc1ncc(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCO3)cc1C#N	ZINC000427130607	559748736	/nfs/dbraw/zinc/74/87/36/559748736.db2.gz	KFEFJUOIZURPLV-UHFFFAOYSA-N	-1	3	351.771	2.445	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-]C1(CCOCc2ccccc2)CC1	ZINC000428386022	559774439	/nfs/dbraw/zinc/77/44/39/559774439.db2.gz	CMCLTTDAQBHADE-UHFFFAOYSA-N	-1	3	357.435	2.371	20	30		FEEDHM
Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccc(S(C)(=O)=O)cc3)nc1-2	ZINC000429597473	559802099	/nfs/dbraw/zinc/80/20/99/559802099.db2.gz	LFQQEHJGDSNFBB-CYBMUJFWSA-N	-1	3	354.391	2.160	20	30		FEEDHM
C[C@]1(c2cccc(NC(=O)C3(c4cccc(C#N)c4)CC3)c2)NC(=O)[N-]C1=O	ZINC000435063268	559915404	/nfs/dbraw/zinc/91/54/04/559915404.db2.gz	ANEJPRIGYYBSEY-HXUWFJFHSA-N	-1	3	374.400	2.283	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]CCc2nccn2Cc2ccccc2)s1	ZINC000435427018	559922615	/nfs/dbraw/zinc/92/26/15/559922615.db2.gz	KQJKBJRXLGZKQM-UHFFFAOYSA-N	-1	3	372.475	2.386	20	30		FEEDHM
CCCNC(=O)C1([N-]S(=O)(=O)c2ccc(C#N)s2)CCCCC1	ZINC000435435052	559923143	/nfs/dbraw/zinc/92/31/43/559923143.db2.gz	WEHBQLOQIVRQDN-UHFFFAOYSA-N	-1	3	355.485	2.127	20	30		FEEDHM
C[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C#N)s2)C(=O)N1c1ccccc1	ZINC000435439688	559923260	/nfs/dbraw/zinc/92/32/60/559923260.db2.gz	WIWBHCHAXOTIPJ-FZMZJTMJSA-N	-1	3	361.448	2.092	20	30		FEEDHM
COc1ccc(O[C@H](C)C[N-]S(=O)(=O)c2ccc(C#N)s2)cc1	ZINC000435445332	559923434	/nfs/dbraw/zinc/92/34/34/559923434.db2.gz	WDGKQAQKUIAMNQ-LLVKDONJSA-N	-1	3	352.437	2.374	20	30		FEEDHM
Cc1ccc(C(=O)N2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)c([O-])c1C	ZINC000436744950	559950878	/nfs/dbraw/zinc/95/08/78/559950878.db2.gz	RHHPGANPXGGBBB-LHSJRXKWSA-N	-1	3	361.401	2.495	20	30		FEEDHM
CCN(C[C@@H](C)C#N)C(=O)C(=O)[N-]c1scc(C2CC2)c1C(=O)OC	ZINC000437412567	559964480	/nfs/dbraw/zinc/96/44/80/559964480.db2.gz	QJZUQMNRTHMWTR-JTQLQIEISA-N	-1	3	363.439	2.359	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1nnc2ccccn21	ZINC000443089774	560070348	/nfs/dbraw/zinc/07/03/48/560070348.db2.gz	AZSQRTJKGUQIOS-SNVBAGLBSA-N	-1	3	361.814	2.294	20	30		FEEDHM
CCc1nc(C(C)(C)[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)no1	ZINC000443154545	560072961	/nfs/dbraw/zinc/07/29/61/560072961.db2.gz	JCGAUZQQNNXCCR-UHFFFAOYSA-N	-1	3	354.819	2.371	20	30		FEEDHM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1C[C@H]1Cc1ccccc1	ZINC000443242880	560076034	/nfs/dbraw/zinc/07/60/34/560076034.db2.gz	CKQGHOBUCYAHNO-UKRRQHHQSA-N	-1	3	357.391	2.376	20	30		FEEDHM
C=CCN(CC=C)[C@H](C[N-]S(=O)(=O)c1cn2c(n1)CCCC2)C(C)C	ZINC000444109817	560102163	/nfs/dbraw/zinc/10/21/63/560102163.db2.gz	HOEBZRWLGRFUNB-MRXNPFEDSA-N	-1	3	366.531	2.196	20	30		FEEDHM
C[C@@H]1C[C@@]1(C#N)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1	ZINC000449978336	560246914	/nfs/dbraw/zinc/24/69/14/560246914.db2.gz	MKGPWCYJUJSXQQ-HWPZZCPQSA-N	-1	3	353.419	2.391	20	30		FEEDHM
Cn1ccnc1[C@@H]([N-]S(=O)(=O)CC1(CC#N)CC1)c1ccccc1F	ZINC000451005311	560282046	/nfs/dbraw/zinc/28/20/46/560282046.db2.gz	RTYINKPLGOYERM-HNNXBMFYSA-N	-1	3	362.430	2.262	20	30		FEEDHM
C=CCC1(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)CCCC1	ZINC000451459592	560308286	/nfs/dbraw/zinc/30/82/86/560308286.db2.gz	XSYMCJAUNGRHJE-UHFFFAOYSA-N	-1	3	372.437	2.496	20	30		FEEDHM
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]CC(C)(C)CCC#N	ZINC000451562800	560314908	/nfs/dbraw/zinc/31/49/08/560314908.db2.gz	JMXLOHPRRALFHP-SNVBAGLBSA-N	-1	3	358.382	2.120	20	30		FEEDHM
C=C[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F	ZINC000451861961	560333061	/nfs/dbraw/zinc/33/30/61/560333061.db2.gz	ODKLZLAIONOUCE-MNOVXSKESA-N	-1	3	366.317	2.235	20	30		FEEDHM
C=CCC[C@H](CO)[N-]S(=O)(=O)c1cccc(Br)c1F	ZINC000452027459	560346485	/nfs/dbraw/zinc/34/64/85/560346485.db2.gz	FGBCGEAPONIXQC-SECBINFHSA-N	-1	3	352.225	2.194	20	30		FEEDHM
C=C(C)CCNC(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1	ZINC000455303331	560477135	/nfs/dbraw/zinc/47/71/35/560477135.db2.gz	ALONXHJVFYTBRF-UHFFFAOYSA-N	-1	3	357.501	2.167	20	30		FEEDHM
C=CC(C)(C)CNC(=O)C1([N-]S(=O)(=O)c2c(C)noc2C)CCCC1	ZINC000456113239	560507514	/nfs/dbraw/zinc/50/75/14/560507514.db2.gz	FWFBLVDMMXCGAZ-UHFFFAOYSA-N	-1	3	369.487	2.211	20	30		FEEDHM
C=CCC[C@@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C(=O)OCC	ZINC000456635442	560526737	/nfs/dbraw/zinc/52/67/37/560526737.db2.gz	XFFVIUOMIPNHDT-MRXNPFEDSA-N	-1	3	359.426	2.222	20	30		FEEDHM
N#C[C@@H]1CCC[C@@H]1NC(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1	ZINC000461968802	560790221	/nfs/dbraw/zinc/79/02/21/560790221.db2.gz	SVKKKUNRCVGQCJ-GJZGRUSLSA-N	-1	3	356.426	2.445	20	30		FEEDHM
C/C=C\C[C@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C(=O)OCC	ZINC000463403815	560812932	/nfs/dbraw/zinc/81/29/32/560812932.db2.gz	ITWNVFSTNJDGOV-WRLNGNIRSA-N	-1	3	359.426	2.222	20	30		FEEDHM
C=CC[C@@H](CC)NC(=O)C1([N-]S(=O)(=O)c2c(C)noc2C)CCCC1	ZINC000467694905	560915003	/nfs/dbraw/zinc/91/50/03/560915003.db2.gz	HPBTVDQPECLUMN-CQSZACIVSA-N	-1	3	369.487	2.353	20	30		FEEDHM
CO[C@H](CC[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C(F)(F)F	ZINC000469020265	560944874	/nfs/dbraw/zinc/94/48/74/560944874.db2.gz	QPYKSULQLYQZGK-LLVKDONJSA-N	-1	3	356.753	2.457	20	30		FEEDHM
C=CCn1c(SCC(=O)c2[nH]c(C)c(C(=O)OCC)c2C)n[n-]c1=O	ZINC000470841920	560991191	/nfs/dbraw/zinc/99/11/91/560991191.db2.gz	XAQCFVJSBVBENZ-UHFFFAOYSA-N	-1	3	364.427	2.266	20	30		FEEDHM
COc1cccc([C@H](C[N-]S(=O)(=O)c2ccc(C#N)s2)OC)c1	ZINC000528454672	562330311	/nfs/dbraw/zinc/33/03/11/562330311.db2.gz	ZJKMFHNYJKKOSV-AWEZNQCLSA-N	-1	3	352.437	2.294	20	30		FEEDHM
N#Cc1ccc(CNCC[N-]S(=O)(=O)c2ccc(Cl)s2)c(F)c1	ZINC000532783333	562488562	/nfs/dbraw/zinc/48/85/62/562488562.db2.gz	AXIGPPHHLYCALR-UHFFFAOYSA-N	-1	3	373.862	2.480	20	30		FEEDHM
N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H]1CCN(CC(F)(F)F)C1	ZINC000533547416	562512525	/nfs/dbraw/zinc/51/25/25/562512525.db2.gz	JREMLUIGTKLVAU-VIFPVBQESA-N	-1	3	367.780	2.127	20	30		FEEDHM
Cc1cccc2[nH]c(C(C#N)=C([O-])c3coc(S(=O)(=O)N(C)C)c3)nc21	ZINC000535203656	562553195	/nfs/dbraw/zinc/55/31/95/562553195.db2.gz	WBOUUBDHKPDFGN-GFCCVEGCSA-N	-1	3	372.406	2.205	20	30		FEEDHM
CCOC(=O)c1nc(C)[n-]c1NC(=O)c1ccn(-c2cccc(C#N)c2)n1	ZINC000541256772	562607404	/nfs/dbraw/zinc/60/74/04/562607404.db2.gz	CIDJDZSILAXKFL-UHFFFAOYSA-N	-1	3	364.365	2.205	20	30		FEEDHM
CCOC(=O)c1[n-]c(C)nc1NC(=O)c1ccn(-c2cccc(C#N)c2)n1	ZINC000541256772	562607405	/nfs/dbraw/zinc/60/74/05/562607405.db2.gz	CIDJDZSILAXKFL-UHFFFAOYSA-N	-1	3	364.365	2.205	20	30		FEEDHM
C[C@H]1CN(C(=O)Cc2ccc(Br)cc2[O-])C[C@H](C)N1CC#N	ZINC000603096325	568060127	/nfs/dbraw/zinc/06/01/27/568060127.db2.gz	HKJORODGJLCGRM-RYUDHWBXSA-N	-1	3	366.259	2.142	20	30		FEEDHM
CC[C@H](C)C[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C(=O)OC	ZINC000568624060	568100426	/nfs/dbraw/zinc/10/04/26/568100426.db2.gz	FSTCJQJDWBFCQG-GWCFXTLKSA-N	-1	3	358.847	2.468	20	30		FEEDHM
CC[C@H](C#N)Oc1cccc(CNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1	ZINC000736309893	598867369	/nfs/dbraw/zinc/86/73/69/598867369.db2.gz	UGPADPXZGPEIJL-MRXNPFEDSA-N	-1	3	362.393	2.478	20	30		FEEDHM
CC[C@H](C#N)Oc1cccc(CNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1	ZINC000736309893	598867370	/nfs/dbraw/zinc/86/73/70/598867370.db2.gz	UGPADPXZGPEIJL-MRXNPFEDSA-N	-1	3	362.393	2.478	20	30		FEEDHM
N#Cc1ccc(NC(=O)COc2cccc(Cl)c2)cc1-c1nnn[n-]1	ZINC000737715851	598919034	/nfs/dbraw/zinc/91/90/34/598919034.db2.gz	FUUSRIBIMPCLES-UHFFFAOYSA-N	-1	3	354.757	2.409	20	30		FEEDHM
N#Cc1ccc(NC(=O)COc2cccc(Cl)c2)cc1-c1nn[n-]n1	ZINC000737715851	598919036	/nfs/dbraw/zinc/91/90/36/598919036.db2.gz	FUUSRIBIMPCLES-UHFFFAOYSA-N	-1	3	354.757	2.409	20	30		FEEDHM
N#Cc1ccc(NC(=O)COc2ccc(F)cc2F)cc1-c1nnn[n-]1	ZINC000737715687	598921735	/nfs/dbraw/zinc/92/17/35/598921735.db2.gz	DTHXWGVUAISIDQ-UHFFFAOYSA-N	-1	3	356.292	2.034	20	30		FEEDHM
N#Cc1ccc(NC(=O)COc2ccc(F)cc2F)cc1-c1nn[n-]n1	ZINC000737715687	598921738	/nfs/dbraw/zinc/92/17/38/598921738.db2.gz	DTHXWGVUAISIDQ-UHFFFAOYSA-N	-1	3	356.292	2.034	20	30		FEEDHM
C#CCOc1ccccc1CNC(=O)C=Cc1ccccc1-c1nnn[n-]1	ZINC000735388240	598927018	/nfs/dbraw/zinc/92/70/18/598927018.db2.gz	VBHAWPBZHOZLLY-QXMHVHEDSA-N	-1	3	359.389	2.208	20	30		FEEDHM
C#CCOc1ccccc1CNC(=O)C=Cc1ccccc1-c1nn[n-]n1	ZINC000735388240	598927019	/nfs/dbraw/zinc/92/70/19/598927019.db2.gz	VBHAWPBZHOZLLY-QXMHVHEDSA-N	-1	3	359.389	2.208	20	30		FEEDHM
C#CCN(C1CCCCC1)S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C	ZINC000735375132	598954191	/nfs/dbraw/zinc/95/41/91/598954191.db2.gz	ULOMFQSAFFUELX-UHFFFAOYSA-N	-1	3	359.455	2.132	20	30		FEEDHM
C#CCN(C1CCCCC1)S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C	ZINC000735375132	598954192	/nfs/dbraw/zinc/95/41/92/598954192.db2.gz	ULOMFQSAFFUELX-UHFFFAOYSA-N	-1	3	359.455	2.132	20	30		FEEDHM
C#CCOc1ccccc1OCCOc1ccc(-c2nnn[n-]2)cc1OC	ZINC000735387751	598978582	/nfs/dbraw/zinc/97/85/82/598978582.db2.gz	FHHOJOZSKCDPDO-UHFFFAOYSA-N	-1	3	366.377	2.345	20	30		FEEDHM
C#CCOc1ccccc1OCCOc1ccc(-c2nn[n-]n2)cc1OC	ZINC000735387751	598978584	/nfs/dbraw/zinc/97/85/84/598978584.db2.gz	FHHOJOZSKCDPDO-UHFFFAOYSA-N	-1	3	366.377	2.345	20	30		FEEDHM
Cc1c(C#N)cccc1N[C@@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O	ZINC000822016164	607256499	/nfs/dbraw/zinc/25/64/99/607256499.db2.gz	VZVHXZPKXRBWMP-CQSZACIVSA-N	-1	3	365.422	2.326	20	30		FEEDHM
Cc1c(C#N)cccc1N[C@@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O	ZINC000822016164	607256500	/nfs/dbraw/zinc/25/65/00/607256500.db2.gz	VZVHXZPKXRBWMP-CQSZACIVSA-N	-1	3	365.422	2.326	20	30		FEEDHM
CC[C@@H](C#N)NC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1	ZINC000736308269	599026349	/nfs/dbraw/zinc/02/63/49/599026349.db2.gz	BOWQYFBOQJBKQO-INIZCTEOSA-N	-1	3	362.393	2.478	20	30		FEEDHM
CC[C@@H](C#N)NC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1	ZINC000736308269	599026351	/nfs/dbraw/zinc/02/63/51/599026351.db2.gz	BOWQYFBOQJBKQO-INIZCTEOSA-N	-1	3	362.393	2.478	20	30		FEEDHM
Cc1c(C#N)cccc1N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O	ZINC000822015123	607258062	/nfs/dbraw/zinc/25/80/62/607258062.db2.gz	DBWAUTQDWAGDOQ-QGZVFWFLSA-N	-1	3	359.393	2.264	20	30		FEEDHM
Cc1c(C#N)cccc1N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O	ZINC000822015123	607258063	/nfs/dbraw/zinc/25/80/63/607258063.db2.gz	DBWAUTQDWAGDOQ-QGZVFWFLSA-N	-1	3	359.393	2.264	20	30		FEEDHM
C#CCOc1ccc(F)cc1NC(=O)CNc1ccc(-c2nn[n-]n2)cc1	ZINC000735380109	599107156	/nfs/dbraw/zinc/10/71/56/599107156.db2.gz	CONPCUJSKFIDEW-UHFFFAOYSA-N	-1	3	366.356	2.068	20	30		FEEDHM
CC(=NNc1ccc(-c2nn[n-]n2)cc1)c1ccc(S(C)(=O)=O)c(F)c1	ZINC000735450946	599127558	/nfs/dbraw/zinc/12/75/58/599127558.db2.gz	KZPIKBNGAWWRSY-UHFFFAOYSA-N	-1	3	374.401	2.245	20	30		FEEDHM
CN(C)c1cccc(CSc2nc(N)c(C#N)cc2-c2nnn[n-]2)c1	ZINC000736781400	599159083	/nfs/dbraw/zinc/15/90/83/599159083.db2.gz	ZIYJFIZTQUGOKC-UHFFFAOYSA-N	-1	3	352.427	2.074	20	30		FEEDHM
CN(C)c1cccc(CSc2nc(N)c(C#N)cc2-c2nn[n-]n2)c1	ZINC000736781400	599159084	/nfs/dbraw/zinc/15/90/84/599159084.db2.gz	ZIYJFIZTQUGOKC-UHFFFAOYSA-N	-1	3	352.427	2.074	20	30		FEEDHM
N#Cc1ccc(SCC(=O)NCc2cccc(-c3nnn[n-]3)c2)c(F)c1	ZINC000737722246	599169882	/nfs/dbraw/zinc/16/98/82/599169882.db2.gz	GNCXLBPCPUACDA-UHFFFAOYSA-N	-1	3	368.397	2.286	20	30		FEEDHM
N#Cc1ccc(SCC(=O)NCc2cccc(-c3nn[n-]n3)c2)c(F)c1	ZINC000737722246	599169885	/nfs/dbraw/zinc/16/98/85/599169885.db2.gz	GNCXLBPCPUACDA-UHFFFAOYSA-N	-1	3	368.397	2.286	20	30		FEEDHM
Cc1noc2nc(C)cc(C(=O)Nc3ccc(C#N)c(-c4nnn[n-]4)c3)c12	ZINC000737236115	599191982	/nfs/dbraw/zinc/19/19/82/599191982.db2.gz	BFWWBZNTBJFPOJ-UHFFFAOYSA-N	-1	3	360.337	2.144	20	30		FEEDHM
Cc1noc2nc(C)cc(C(=O)Nc3ccc(C#N)c(-c4nn[n-]n4)c3)c12	ZINC000737236115	599191984	/nfs/dbraw/zinc/19/19/84/599191984.db2.gz	BFWWBZNTBJFPOJ-UHFFFAOYSA-N	-1	3	360.337	2.144	20	30		FEEDHM
N#Cc1cc(NC(=O)c2ccc(C(F)(F)F)cn2)ccc1-c1nnn[n-]1	ZINC000737709434	599200578	/nfs/dbraw/zinc/20/05/78/599200578.db2.gz	OANHTNYLUXVUFD-UHFFFAOYSA-N	-1	3	359.271	2.404	20	30		FEEDHM
N#Cc1cc(NC(=O)c2ccc(C(F)(F)F)cn2)ccc1-c1nn[n-]n1	ZINC000737709434	599200580	/nfs/dbraw/zinc/20/05/80/599200580.db2.gz	OANHTNYLUXVUFD-UHFFFAOYSA-N	-1	3	359.271	2.404	20	30		FEEDHM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCCN(CCCc2ccccc2)CC1	ZINC000819810412	597641683	/nfs/dbraw/zinc/64/16/83/597641683.db2.gz	AUSCDZMSCVOWLH-HXUWFJFHSA-N	-1	3	357.454	2.158	20	30		FEEDHM
C[C@@H](Sc1nc(N)c(C#N)cc1-c1nnn[n-]1)c1cccc([N+](=O)[O-])c1	ZINC000736193310	598272379	/nfs/dbraw/zinc/27/23/79/598272379.db2.gz	RLQDDHNRVPZWEX-MRVPVSSYSA-N	-1	3	368.382	2.477	20	30		FEEDHM
C[C@@H](Sc1nc(N)c(C#N)cc1-c1nn[n-]n1)c1cccc([N+](=O)[O-])c1	ZINC000736193310	598272381	/nfs/dbraw/zinc/27/23/81/598272381.db2.gz	RLQDDHNRVPZWEX-MRVPVSSYSA-N	-1	3	368.382	2.477	20	30		FEEDHM
C[C@H](Sc1nc(N)c(-c2nnn[n-]2)cc1C#N)c1cccc([N+](=O)[O-])c1	ZINC000736189854	598272667	/nfs/dbraw/zinc/27/26/67/598272667.db2.gz	CKNNBNKLXWYFNS-QMMMGPOBSA-N	-1	3	368.382	2.477	20	30		FEEDHM
C[C@H](Sc1nc(N)c(-c2nn[n-]n2)cc1C#N)c1cccc([N+](=O)[O-])c1	ZINC000736189854	598272668	/nfs/dbraw/zinc/27/26/68/598272668.db2.gz	CKNNBNKLXWYFNS-QMMMGPOBSA-N	-1	3	368.382	2.477	20	30		FEEDHM
N#Cc1ccc(CNC(=S)Nc2ccccc2-c2nnn[n-]2)c(F)c1	ZINC000737717390	598296322	/nfs/dbraw/zinc/29/63/22/598296322.db2.gz	CTEVYYDMKKPDID-UHFFFAOYSA-N	-1	3	353.386	2.364	20	30		FEEDHM
N#Cc1ccc(CNC(=S)Nc2ccccc2-c2nn[n-]n2)c(F)c1	ZINC000737717390	598296324	/nfs/dbraw/zinc/29/63/24/598296324.db2.gz	CTEVYYDMKKPDID-UHFFFAOYSA-N	-1	3	353.386	2.364	20	30		FEEDHM
O=C(C=Cc1cnc(N2CCOCC2)s1)c1cccc(-c2nnn[n-]2)c1	ZINC000737809359	598309176	/nfs/dbraw/zinc/30/91/76/598309176.db2.gz	VKCWWLXRDDNRTM-SNAWJCMRSA-N	-1	3	368.422	2.056	20	30		FEEDHM
O=C(C=Cc1cnc(N2CCOCC2)s1)c1cccc(-c2nn[n-]n2)c1	ZINC000737809359	598309178	/nfs/dbraw/zinc/30/91/78/598309178.db2.gz	VKCWWLXRDDNRTM-SNAWJCMRSA-N	-1	3	368.422	2.056	20	30		FEEDHM
C[C@@H](CC#N)NC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1	ZINC000735964457	598331588	/nfs/dbraw/zinc/33/15/88/598331588.db2.gz	ZQTAHAVJLRHWDW-NSHDSACASA-N	-1	3	352.354	2.071	20	30		FEEDHM
C[C@@H](CC#N)NC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1	ZINC000735964457	598331590	/nfs/dbraw/zinc/33/15/90/598331590.db2.gz	ZQTAHAVJLRHWDW-NSHDSACASA-N	-1	3	352.354	2.071	20	30		FEEDHM
C#CCOc1ccccc1OC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1	ZINC000735388022	598423848	/nfs/dbraw/zinc/42/38/48/598423848.db2.gz	PFMOTMUWRHEGSK-CYBMUJFWSA-N	-1	3	364.361	2.252	20	30		FEEDHM
N#C[C@H](NC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1)C1CC1	ZINC000737675763	598536771	/nfs/dbraw/zinc/53/67/71/598536771.db2.gz	RVCWOMKMICWOCB-HNNXBMFYSA-N	-1	3	364.365	2.071	20	30		FEEDHM
C#CCNC(=O)[C@@H](C)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1	ZINC000735381076	598559513	/nfs/dbraw/zinc/55/95/13/598559513.db2.gz	LNWYCARLCIWHBR-CYBMUJFWSA-N	-1	3	362.393	2.209	20	30		FEEDHM
C#CCNC(=O)[C@@H](C)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1	ZINC000735381076	598559514	/nfs/dbraw/zinc/55/95/14/598559514.db2.gz	LNWYCARLCIWHBR-CYBMUJFWSA-N	-1	3	362.393	2.209	20	30		FEEDHM
C[C@@H](Oc1ccccc1C#N)C(=O)OCc1ccc(F)cc1-c1nnn[n-]1	ZINC000736190670	598706342	/nfs/dbraw/zinc/70/63/42/598706342.db2.gz	XECAXIHQWBRIIC-LLVKDONJSA-N	-1	3	367.340	2.388	20	30		FEEDHM
C[C@@H](Oc1ccccc1C#N)C(=O)OCc1ccc(F)cc1-c1nn[n-]n1	ZINC000736190670	598706343	/nfs/dbraw/zinc/70/63/43/598706343.db2.gz	XECAXIHQWBRIIC-LLVKDONJSA-N	-1	3	367.340	2.388	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)CN1C[C@@H](CCC)CC1=O	ZINC000819745960	599329304	/nfs/dbraw/zinc/32/93/04/599329304.db2.gz	WUYFDFHUQYKHGK-HNNXBMFYSA-N	-1	3	354.458	2.461	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)CN1C[C@@H](CCC)CC1=O	ZINC000819745960	599329307	/nfs/dbraw/zinc/32/93/07/599329307.db2.gz	WUYFDFHUQYKHGK-HNNXBMFYSA-N	-1	3	354.458	2.461	20	30		FEEDHM
N#Cc1ccc(Cl)cc1N1CCN(c2ncccc2-c2nnn[n-]2)CC1	ZINC000737719955	599400623	/nfs/dbraw/zinc/40/06/23/599400623.db2.gz	YWOQQBCIISGLRU-UHFFFAOYSA-N	-1	3	366.816	2.113	20	30		FEEDHM
N#Cc1ccc(Cl)cc1N1CCN(c2ncccc2-c2nn[n-]n2)CC1	ZINC000737719955	599400626	/nfs/dbraw/zinc/40/06/26/599400626.db2.gz	YWOQQBCIISGLRU-UHFFFAOYSA-N	-1	3	366.816	2.113	20	30		FEEDHM
N#CCOc1ccc(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)cc1	ZINC000737695082	599461810	/nfs/dbraw/zinc/46/18/10/599461810.db2.gz	JRVVRFBMRZYVCA-DAXSKMNVSA-N	-1	3	371.360	2.313	20	30		FEEDHM
N#CCOc1ccc(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)cc1	ZINC000737695082	599461811	/nfs/dbraw/zinc/46/18/11/599461811.db2.gz	JRVVRFBMRZYVCA-DAXSKMNVSA-N	-1	3	371.360	2.313	20	30		FEEDHM
COc1cccc2c1OCC(=Cc1cnc3ccc(-c4nnn[n-]4)cn13)C2=O	ZINC000737140995	599463018	/nfs/dbraw/zinc/46/30/18/599463018.db2.gz	ILUKDTNRIANJTP-GHXNOFRVSA-N	-1	3	374.360	2.182	20	30		FEEDHM
COc1cccc2c1OCC(=Cc1cnc3ccc(-c4nn[n-]n4)cn13)C2=O	ZINC000737140995	599463021	/nfs/dbraw/zinc/46/30/21/599463021.db2.gz	ILUKDTNRIANJTP-GHXNOFRVSA-N	-1	3	374.360	2.182	20	30		FEEDHM
N#Cc1ccc(CNC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)c(F)c1	ZINC000822825409	599464682	/nfs/dbraw/zinc/46/46/82/599464682.db2.gz	DNBSWBBBBUUDAE-UHFFFAOYSA-N	-1	3	369.335	2.016	20	30		FEEDHM
N#Cc1ccc(CNC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)c(F)c1	ZINC000822825409	599464684	/nfs/dbraw/zinc/46/46/84/599464684.db2.gz	DNBSWBBBBUUDAE-UHFFFAOYSA-N	-1	3	369.335	2.016	20	30		FEEDHM
CON=Cc1ccc(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1	ZINC000821697827	599539812	/nfs/dbraw/zinc/53/98/12/599539812.db2.gz	SSQWBPQXMSPZTP-GFCCVEGCSA-N	-1	3	350.382	2.338	20	30		FEEDHM
CON=Cc1ccc(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1	ZINC000821697827	599539813	/nfs/dbraw/zinc/53/98/13/599539813.db2.gz	SSQWBPQXMSPZTP-GFCCVEGCSA-N	-1	3	350.382	2.338	20	30		FEEDHM
CCn1ccnc1CN1CCCN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CC1	ZINC000737302243	600570292	/nfs/dbraw/zinc/57/02/92/600570292.db2.gz	AAPMPTPJOJQROM-LJQANCHMSA-N	-1	3	367.453	2.108	20	30		FEEDHM
N#Cc1cccc(OS(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)c1	ZINC000826387249	607577741	/nfs/dbraw/zinc/57/77/41/607577741.db2.gz	MDQJLHXATIEEQT-UHFFFAOYSA-N	-1	3	361.770	2.159	20	30		FEEDHM
C=CCN1CCC(NC(=O)N2CCC[C@@H]([C@@H]3CCCN3C(=O)[O-])C2)CC1	ZINC000738491180	602715277	/nfs/dbraw/zinc/71/52/77/602715277.db2.gz	GWKXTUILZDLGDW-WBVHZDCISA-N	-1	3	364.490	2.201	20	30		FEEDHM
Cc1nnc(-c2cccc(C#N)c2)n1CN1CC[C@@H](NC(=O)[O-])[C@H](C)C1	ZINC000740251518	603397860	/nfs/dbraw/zinc/39/78/60/603397860.db2.gz	CKQBUJWASHLCDE-MLGOLLRUSA-N	-1	3	354.414	2.061	20	30		FEEDHM
Cc1ccc(C#N)cc1OS(=O)(=O)c1cccc(C)c1-c1nnn[n-]1	ZINC000826281525	607670585	/nfs/dbraw/zinc/67/05/85/607670585.db2.gz	XBKOJGMNGPQVKH-UHFFFAOYSA-N	-1	3	355.379	2.123	20	30		FEEDHM
N#Cc1ccccc1S(=O)(=O)Oc1cc(Cl)ccc1-c1nnn[n-]1	ZINC000826387023	607672677	/nfs/dbraw/zinc/67/26/77/607672677.db2.gz	CRCGDEINHZPFLG-UHFFFAOYSA-N	-1	3	361.770	2.159	20	30		FEEDHM
N#Cc1ccccc1S(=O)(=O)Oc1cc(Cl)ccc1-c1nn[n-]n1	ZINC000826387023	607672679	/nfs/dbraw/zinc/67/26/79/607672679.db2.gz	CRCGDEINHZPFLG-UHFFFAOYSA-N	-1	3	361.770	2.159	20	30		FEEDHM
N#Cc1ccsc1N1CC[C@@H](Nc2ccc(F)c(-c3nnn[n-]3)c2)C1=O	ZINC000822842438	606248836	/nfs/dbraw/zinc/24/88/36/606248836.db2.gz	IJNVSSIXPFVFBP-CYBMUJFWSA-N	-1	3	369.385	2.156	20	30		FEEDHM
N#Cc1ccsc1N1CC[C@@H](Nc2ccc(F)c(-c3nn[n-]n3)c2)C1=O	ZINC000822842438	606248838	/nfs/dbraw/zinc/24/88/38/606248838.db2.gz	IJNVSSIXPFVFBP-CYBMUJFWSA-N	-1	3	369.385	2.156	20	30		FEEDHM
COC(=O)[C@H](N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1cccc(C#N)c1	ZINC000821640201	606309793	/nfs/dbraw/zinc/30/97/93/606309793.db2.gz	CMWCJQOGQPBOOF-YVEFUNNKSA-N	-1	3	362.393	2.303	20	30		FEEDHM
COC(=O)[C@H](N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1cccc(C#N)c1	ZINC000821640201	606309794	/nfs/dbraw/zinc/30/97/94/606309794.db2.gz	CMWCJQOGQPBOOF-YVEFUNNKSA-N	-1	3	362.393	2.303	20	30		FEEDHM
C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@H](C#N)C1CCCCC1	ZINC000820541238	606362345	/nfs/dbraw/zinc/36/23/45/606362345.db2.gz	CQSPSVRXWXAHJC-IUODEOHRSA-N	-1	3	354.414	2.223	20	30		FEEDHM
C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@H](C#N)C1CCCCC1	ZINC000820541238	606362346	/nfs/dbraw/zinc/36/23/46/606362346.db2.gz	CQSPSVRXWXAHJC-IUODEOHRSA-N	-1	3	354.414	2.223	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ncccc1OCC	ZINC000819745523	606371396	/nfs/dbraw/zinc/37/13/96/606371396.db2.gz	HLXLIPPSKJRZSV-UHFFFAOYSA-N	-1	3	364.409	2.489	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ncccc1OCC	ZINC000819745523	606371398	/nfs/dbraw/zinc/37/13/98/606371398.db2.gz	HLXLIPPSKJRZSV-UHFFFAOYSA-N	-1	3	364.409	2.489	20	30		FEEDHM
C#CCOc1cccc([C@H](C)OC(=O)c2cc(-c3nnn[n-]3)cn2C)c1	ZINC000819709634	606408977	/nfs/dbraw/zinc/40/89/77/606408977.db2.gz	NFTISIUIVSLKOZ-LBPRGKRZSA-N	-1	3	351.366	2.135	20	30		FEEDHM
C#CCOc1cccc([C@H](C)OC(=O)c2cc(-c3nn[n-]n3)cn2C)c1	ZINC000819709634	606408979	/nfs/dbraw/zinc/40/89/79/606408979.db2.gz	NFTISIUIVSLKOZ-LBPRGKRZSA-N	-1	3	351.366	2.135	20	30		FEEDHM
COCCN(C(=O)c1cc(C#N)cs1)c1ccc(-c2nnn[n-]2)cc1	ZINC000821688918	606518312	/nfs/dbraw/zinc/51/83/12/606518312.db2.gz	CJOSUFNWUIQNDG-UHFFFAOYSA-N	-1	3	354.395	2.093	20	30		FEEDHM
COCCN(C(=O)c1cc(C#N)cs1)c1ccc(-c2nn[n-]n2)cc1	ZINC000821688918	606518314	/nfs/dbraw/zinc/51/83/14/606518314.db2.gz	CJOSUFNWUIQNDG-UHFFFAOYSA-N	-1	3	354.395	2.093	20	30		FEEDHM
C[C@H](C#N)CNC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1	ZINC000819844601	606832747	/nfs/dbraw/zinc/83/27/47/606832747.db2.gz	IYPLZWZBHGVXKX-LLVKDONJSA-N	-1	3	364.369	2.335	20	30		FEEDHM
CCc1nnc(NCCOc2ccc(C#N)cc2)c(-c2nnn[n-]2)c1CC	ZINC000821542150	606938672	/nfs/dbraw/zinc/93/86/72/606938672.db2.gz	KSSYWUFVOCEEPM-UHFFFAOYSA-N	-1	3	364.413	2.144	20	30		FEEDHM
CCc1nnc(NCCOc2ccc(C#N)cc2)c(-c2nn[n-]n2)c1CC	ZINC000821542150	606938673	/nfs/dbraw/zinc/93/86/73/606938673.db2.gz	KSSYWUFVOCEEPM-UHFFFAOYSA-N	-1	3	364.413	2.144	20	30		FEEDHM
C=CCC(CC=C)C(=O)O[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O	ZINC000819734381	607004110	/nfs/dbraw/zinc/00/41/10/607004110.db2.gz	NLENOIHVNKGDKM-INIZCTEOSA-N	-1	3	367.409	2.284	20	30		FEEDHM
C=CCC(CC=C)C(=O)O[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O	ZINC000819734381	607004112	/nfs/dbraw/zinc/00/41/12/607004112.db2.gz	NLENOIHVNKGDKM-INIZCTEOSA-N	-1	3	367.409	2.284	20	30		FEEDHM
N#Cc1ccc(CNC(=O)CSc2cccc(-c3nnn[n-]3)c2)cc1	ZINC000822825729	607014107	/nfs/dbraw/zinc/01/41/07/607014107.db2.gz	MYWSKODQFYDRTD-UHFFFAOYSA-N	-1	3	350.407	2.147	20	30		FEEDHM
N#Cc1ccc(CNC(=O)CSc2cccc(-c3nn[n-]n3)c2)cc1	ZINC000822825729	607014109	/nfs/dbraw/zinc/01/41/09/607014109.db2.gz	MYWSKODQFYDRTD-UHFFFAOYSA-N	-1	3	350.407	2.147	20	30		FEEDHM
N#Cc1cc(-c2nnn[n-]2)c(N)nc1SCCc1ccc(F)c(F)c1	ZINC000822818506	607222334	/nfs/dbraw/zinc/22/23/34/607222334.db2.gz	ATDTZOOXFIJPGW-UHFFFAOYSA-N	-1	3	359.365	2.329	20	30		FEEDHM
N#Cc1cc(-c2nn[n-]n2)c(N)nc1SCCc1ccc(F)c(F)c1	ZINC000822818506	607222335	/nfs/dbraw/zinc/22/23/35/607222335.db2.gz	ATDTZOOXFIJPGW-UHFFFAOYSA-N	-1	3	359.365	2.329	20	30		FEEDHM
C=CCCCCCN(C)CCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1	ZINC000823894535	607828584	/nfs/dbraw/zinc/82/85/84/607828584.db2.gz	SLUUPGDZWDAPOK-UHFFFAOYSA-N	-1	3	363.487	2.319	20	30		FEEDHM
C=CCCCCCN(C)CCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1	ZINC000823894535	607828585	/nfs/dbraw/zinc/82/85/85/607828585.db2.gz	SLUUPGDZWDAPOK-UHFFFAOYSA-N	-1	3	363.487	2.319	20	30		FEEDHM
COc1ccc(C(F)(F)C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1	ZINC000826189248	607926640	/nfs/dbraw/zinc/92/66/40/607926640.db2.gz	QRVGLKOPMJMLQG-UHFFFAOYSA-N	-1	3	370.319	2.477	20	30		FEEDHM
COc1ccc(C(F)(F)C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1	ZINC000826189248	607926641	/nfs/dbraw/zinc/92/66/41/607926641.db2.gz	QRVGLKOPMJMLQG-UHFFFAOYSA-N	-1	3	370.319	2.477	20	30		FEEDHM
COc1ccc(C(F)(F)C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1	ZINC000826188723	607926826	/nfs/dbraw/zinc/92/68/26/607926826.db2.gz	DQMORZLIVHLYFV-UHFFFAOYSA-N	-1	3	370.319	2.477	20	30		FEEDHM
COc1ccc(C(F)(F)C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1	ZINC000826188723	607926827	/nfs/dbraw/zinc/92/68/27/607926827.db2.gz	DQMORZLIVHLYFV-UHFFFAOYSA-N	-1	3	370.319	2.477	20	30		FEEDHM
C#CC[C@H](NS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1	ZINC000823839108	607937790	/nfs/dbraw/zinc/93/77/90/607937790.db2.gz	ZPOFTKKVJOZHBM-INIZCTEOSA-N	-1	3	371.397	2.049	20	30		FEEDHM
C#CC[C@H](NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1	ZINC000823839108	607937791	/nfs/dbraw/zinc/93/77/91/607937791.db2.gz	ZPOFTKKVJOZHBM-INIZCTEOSA-N	-1	3	371.397	2.049	20	30		FEEDHM
N#CCc1ccc(C(=O)Nc2ccnn2-c2ccc(-c3nn[n-]n3)cc2)cc1	ZINC000826382364	607983104	/nfs/dbraw/zinc/98/31/04/607983104.db2.gz	AUVWTZKWGGHMTJ-UHFFFAOYSA-N	-1	3	370.376	2.371	20	30		FEEDHM
N#Cc1ccc(C(=O)N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)s1	ZINC000826384142	608082210	/nfs/dbraw/zinc/08/22/10/608082210.db2.gz	IKJWXTCUZUNANY-AWEZNQCLSA-N	-1	3	366.406	2.014	20	30		FEEDHM
N#Cc1ccc(C(=O)N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)s1	ZINC000826384142	608082211	/nfs/dbraw/zinc/08/22/11/608082211.db2.gz	IKJWXTCUZUNANY-AWEZNQCLSA-N	-1	3	366.406	2.014	20	30		FEEDHM
C=C(C)[C@@H](CC(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1)OCC	ZINC000823873983	608086522	/nfs/dbraw/zinc/08/65/22/608086522.db2.gz	QTDAFHOSCMPMMH-SJORKVTESA-N	-1	3	371.441	2.138	20	30		FEEDHM
C=C(C)[C@@H](CC(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1)OCC	ZINC000823873983	608086523	/nfs/dbraw/zinc/08/65/23/608086523.db2.gz	QTDAFHOSCMPMMH-SJORKVTESA-N	-1	3	371.441	2.138	20	30		FEEDHM
CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCC[C@@](C)(C#N)C1	ZINC000824207232	608140202	/nfs/dbraw/zinc/14/02/02/608140202.db2.gz	RXQITTUSORPCTE-APWZRJJASA-N	-1	3	368.441	2.422	20	30		FEEDHM
CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCC[C@@](C)(C#N)C1	ZINC000824207232	608140203	/nfs/dbraw/zinc/14/02/03/608140203.db2.gz	RXQITTUSORPCTE-APWZRJJASA-N	-1	3	368.441	2.422	20	30		FEEDHM
COCCn1c(C)cc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)c1C	ZINC000826164085	608536101	/nfs/dbraw/zinc/53/61/01/608536101.db2.gz	YVGBVDTXKLJOTI-UHFFFAOYSA-N	-1	3	374.836	2.426	20	30		FEEDHM
COCCn1c(C)cc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)c1C	ZINC000826164085	608536103	/nfs/dbraw/zinc/53/61/03/608536103.db2.gz	YVGBVDTXKLJOTI-UHFFFAOYSA-N	-1	3	374.836	2.426	20	30		FEEDHM
CC(C)(C)OC(=O)NCCCN=Nc1cc(-c2nnn[n-]2)cc(Cl)n1	ZINC000824114276	608538501	/nfs/dbraw/zinc/53/85/01/608538501.db2.gz	MIBMGJSEZBICGZ-UHFFFAOYSA-N	-1	3	366.813	2.228	20	30		FEEDHM
CC(C)(C)OC(=O)NCCCN=Nc1cc(-c2nn[n-]n2)cc(Cl)n1	ZINC000824114276	608538502	/nfs/dbraw/zinc/53/85/02/608538502.db2.gz	MIBMGJSEZBICGZ-UHFFFAOYSA-N	-1	3	366.813	2.228	20	30		FEEDHM
Fc1cccn2cc(CN=Nc3cc(-c4nnn[n-]4)cc(Cl)n3)nc12	ZINC000826378465	608541379	/nfs/dbraw/zinc/54/13/79/608541379.db2.gz	LIHQYOOFEXSDHC-UHFFFAOYSA-N	-1	3	357.740	2.148	20	30		FEEDHM
Fc1cccn2cc(CN=Nc3cc(-c4nn[n-]n4)cc(Cl)n3)nc12	ZINC000826378465	608541380	/nfs/dbraw/zinc/54/13/80/608541380.db2.gz	LIHQYOOFEXSDHC-UHFFFAOYSA-N	-1	3	357.740	2.148	20	30		FEEDHM
N#Cc1c(F)cccc1N1CCN(Cc2cc(-c3nnn[n-]3)cs2)CC1	ZINC000826383070	608596069	/nfs/dbraw/zinc/59/60/69/608596069.db2.gz	IYDDNHUDTBBPTF-UHFFFAOYSA-N	-1	3	369.429	2.261	20	30		FEEDHM
N#Cc1c(F)cccc1N1CCN(Cc2cc(-c3nn[n-]n3)cs2)CC1	ZINC000826383070	608596072	/nfs/dbraw/zinc/59/60/72/608596072.db2.gz	IYDDNHUDTBBPTF-UHFFFAOYSA-N	-1	3	369.429	2.261	20	30		FEEDHM
N#Cc1ccc(CN2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)s1	ZINC000826384785	608854206	/nfs/dbraw/zinc/85/42/06/608854206.db2.gz	JRHPZTHDOSDNDS-MRXNPFEDSA-N	-1	3	352.423	2.373	20	30		FEEDHM
N#Cc1ccc(CN2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)s1	ZINC000826384785	608854208	/nfs/dbraw/zinc/85/42/08/608854208.db2.gz	JRHPZTHDOSDNDS-MRXNPFEDSA-N	-1	3	352.423	2.373	20	30		FEEDHM
O=C(C=Cc1cn(-c2ccccc2)nn1)c1ccc(-c2nnn[n-]2)c(F)c1	ZINC000826403681	609134864	/nfs/dbraw/zinc/13/48/64/609134864.db2.gz	ZBKVMYHYINFNNB-CLFYSBASSA-N	-1	3	361.340	2.483	20	30		FEEDHM
O=C(C=Cc1cn(-c2ccccc2)nn1)c1ccc(-c2nn[n-]n2)c(F)c1	ZINC000826403681	609134865	/nfs/dbraw/zinc/13/48/65/609134865.db2.gz	ZBKVMYHYINFNNB-CLFYSBASSA-N	-1	3	361.340	2.483	20	30		FEEDHM
CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)Cc1ccccc1CC#N	ZINC000825609446	609156199	/nfs/dbraw/zinc/15/61/99/609156199.db2.gz	MBRBIFOUJUHXAD-UHFFFAOYSA-N	-1	3	363.377	2.480	20	30		FEEDHM
CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)Cc1ccccc1CC#N	ZINC000825609446	609156200	/nfs/dbraw/zinc/15/62/00/609156200.db2.gz	MBRBIFOUJUHXAD-UHFFFAOYSA-N	-1	3	363.377	2.480	20	30		FEEDHM
N#Cc1nc(N)n(CCCSc2ccccc2Cl)c1-c1nnn[n-]1	ZINC000826387771	609176535	/nfs/dbraw/zinc/17/65/35/609176535.db2.gz	QCHLESAMFUDZBK-UHFFFAOYSA-N	-1	3	360.834	2.353	20	30		FEEDHM
N#Cc1nc(N)n(CCCSc2ccccc2Cl)c1-c1nn[n-]n1	ZINC000826387771	609176537	/nfs/dbraw/zinc/17/65/37/609176537.db2.gz	QCHLESAMFUDZBK-UHFFFAOYSA-N	-1	3	360.834	2.353	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H](C)[C@@H]1CCCOC1	ZINC000823909400	609191078	/nfs/dbraw/zinc/19/10/78/609191078.db2.gz	BNPZCQIYFMVLGQ-RHSMWYFYSA-N	-1	3	370.457	2.379	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H](C)[C@@H]1CCCOC1	ZINC000823909400	609191080	/nfs/dbraw/zinc/19/10/80/609191080.db2.gz	BNPZCQIYFMVLGQ-RHSMWYFYSA-N	-1	3	370.457	2.379	20	30		FEEDHM
COc1cc(C#N)ccc1CSc1nnc(C)c(C)c1-c1nnn[n-]1	ZINC000826176708	609308269	/nfs/dbraw/zinc/30/82/69/609308269.db2.gz	ADADRIWNICUWOR-UHFFFAOYSA-N	-1	3	353.411	2.446	20	30		FEEDHM
COc1cc(C#N)ccc1CSc1nnc(C)c(C)c1-c1nn[n-]n1	ZINC000826176708	609308270	/nfs/dbraw/zinc/30/82/70/609308270.db2.gz	ADADRIWNICUWOR-UHFFFAOYSA-N	-1	3	353.411	2.446	20	30		FEEDHM
N#CCC1CCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC1	ZINC000826380797	609385563	/nfs/dbraw/zinc/38/55/63/609385563.db2.gz	MTYGMZJSCXTTKJ-UHFFFAOYSA-N	-1	3	364.369	2.453	20	30		FEEDHM
N#CCC1CCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CC1	ZINC000826380797	609385564	/nfs/dbraw/zinc/38/55/64/609385564.db2.gz	MTYGMZJSCXTTKJ-UHFFFAOYSA-N	-1	3	364.369	2.453	20	30		FEEDHM
Nc1nc(Cl)cc(N=NC2CCCc3cc(-c4nnn[n-]4)ccc32)n1	ZINC000826396246	609415827	/nfs/dbraw/zinc/41/58/27/609415827.db2.gz	OIIHRKAYRSVDFZ-UHFFFAOYSA-N	-1	3	355.793	2.045	20	30		FEEDHM
Nc1nc(Cl)cc(N=NC2CCCc3cc(-c4nn[n-]n4)ccc32)n1	ZINC000826396246	609415829	/nfs/dbraw/zinc/41/58/29/609415829.db2.gz	OIIHRKAYRSVDFZ-UHFFFAOYSA-N	-1	3	355.793	2.045	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C1(C(=O)OCC)CCC1	ZINC000823910233	609454346	/nfs/dbraw/zinc/45/43/46/609454346.db2.gz	ZYXKONNFKFOXBZ-UHFFFAOYSA-N	-1	3	369.425	2.115	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C1(C(=O)OCC)CCC1	ZINC000823910233	609454349	/nfs/dbraw/zinc/45/43/49/609454349.db2.gz	ZYXKONNFKFOXBZ-UHFFFAOYSA-N	-1	3	369.425	2.115	20	30		FEEDHM
COc1cccc2[nH]cc(CC(=O)Nc3ccc(C#N)c(-c4nnn[n-]4)c3)c21	ZINC000826217596	609464482	/nfs/dbraw/zinc/46/44/82/609464482.db2.gz	ULGMWVRHPSCZCA-UHFFFAOYSA-N	-1	3	373.376	2.409	20	30		FEEDHM
COc1cccc2[nH]cc(CC(=O)Nc3ccc(C#N)c(-c4nn[n-]n4)c3)c21	ZINC000826217596	609464483	/nfs/dbraw/zinc/46/44/83/609464483.db2.gz	ULGMWVRHPSCZCA-UHFFFAOYSA-N	-1	3	373.376	2.409	20	30		FEEDHM
C[C@H](C#N)Oc1ccccc1NCC(=O)Nc1cccc(-c2nnn[n-]2)c1	ZINC000824034942	609512023	/nfs/dbraw/zinc/51/20/23/609512023.db2.gz	QOPMDNMIALVIAW-GFCCVEGCSA-N	-1	3	363.381	2.208	20	30		FEEDHM
C[C@H](C#N)Oc1ccccc1NCC(=O)Nc1cccc(-c2nn[n-]n2)c1	ZINC000824034942	609512026	/nfs/dbraw/zinc/51/20/26/609512026.db2.gz	QOPMDNMIALVIAW-GFCCVEGCSA-N	-1	3	363.381	2.208	20	30		FEEDHM
Cc1c(Cl)cnc(N2CCc3c(sc(N)c3-c3nnn[n-]3)C2)c1C#N	ZINC000826238494	609525087	/nfs/dbraw/zinc/52/50/87/609525087.db2.gz	HSFWVOAVAXKJOJ-UHFFFAOYSA-N	-1	3	372.845	2.302	20	30		FEEDHM
Cc1c(Cl)cnc(N2CCc3c(sc(N)c3-c3nn[n-]n3)C2)c1C#N	ZINC000826238494	609525088	/nfs/dbraw/zinc/52/50/88/609525088.db2.gz	HSFWVOAVAXKJOJ-UHFFFAOYSA-N	-1	3	372.845	2.302	20	30		FEEDHM
C=CCOCCNc1c(-c2nnn[n-]2)cnc2ccc(OC(F)F)cc21	ZINC000823925984	609573808	/nfs/dbraw/zinc/57/38/08/609573808.db2.gz	UFGHHAYCFYJVRD-UHFFFAOYSA-N	-1	3	362.340	2.053	20	30		FEEDHM
C=CCOCCNc1c(-c2nn[n-]n2)cnc2ccc(OC(F)F)cc21	ZINC000823925984	609573811	/nfs/dbraw/zinc/57/38/11/609573811.db2.gz	UFGHHAYCFYJVRD-UHFFFAOYSA-N	-1	3	362.340	2.053	20	30		FEEDHM
N#Cc1ccsc1N1CC[C@H](OC(=O)c2cc([O-])cc(C#N)c2)C1=O	ZINC000811188015	674587233	/nfs/dbraw/zinc/58/72/33/674587233.db2.gz	SSHCWJNPXXRBCE-AWEZNQCLSA-N	-1	3	353.359	2.159	20	30		FEEDHM
C#C[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)C(C)(C)C	ZINC000813777692	674779663	/nfs/dbraw/zinc/77/96/63/674779663.db2.gz	KZYBOIZGUFXJBZ-OAHLLOKOSA-N	-1	3	352.431	2.044	20	30		FEEDHM
CCC/C=C/COC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000813909061	674790650	/nfs/dbraw/zinc/79/06/50/674790650.db2.gz	KVZADESLDRNTOH-LJLILKBBSA-N	-1	3	350.440	2.403	20	30		FEEDHM
CC(C)(CCC#N)CNS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1	ZINC000563722919	674932909	/nfs/dbraw/zinc/93/29/09/674932909.db2.gz	HRQWUNUJEWMRJC-UHFFFAOYSA-N	-1	3	368.850	2.128	20	30		FEEDHM
CC(C)(CCC#N)CNS(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1	ZINC000563722919	674932910	/nfs/dbraw/zinc/93/29/10/674932910.db2.gz	HRQWUNUJEWMRJC-UHFFFAOYSA-N	-1	3	368.850	2.128	20	30		FEEDHM
COc1ccc(Nc2nc(C(=O)N[C@@H]3CCCN([O-])C3=O)cs2)cc1	ZINC000816756338	675077988	/nfs/dbraw/zinc/07/79/88/675077988.db2.gz	VPFSOUMCBGXXOP-GFCCVEGCSA-N	-1	3	362.411	2.005	20	30		FEEDHM
O=C(N[C@H]1CCCN([O-])C1=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1	ZINC000816755931	675078093	/nfs/dbraw/zinc/07/80/93/675078093.db2.gz	LXTZLHQPKOGLPL-ZDUSSCGKSA-N	-1	3	369.208	2.289	20	30		FEEDHM
Cc1cc(C([O-])=C(C#N)c2ccccn2)cc(S(=O)(=O)N(C)C)c1C	ZINC000041493400	670146944	/nfs/dbraw/zinc/14/69/44/670146944.db2.gz	VZYUNLWEVCKZOW-HNNXBMFYSA-N	-1	3	357.435	2.439	20	30		FEEDHM
Cc1noc(C)c1C[N-]S(=O)(=O)c1cccc(Br)c1C#N	ZINC000565788727	675151394	/nfs/dbraw/zinc/15/13/94/675151394.db2.gz	WJNCAQFPKKDUSD-UHFFFAOYSA-N	-1	3	370.228	2.404	20	30		FEEDHM
N#CCN1CCC([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CC1	ZINC000609334398	675918648	/nfs/dbraw/zinc/91/86/48/675918648.db2.gz	QAUXESWCSOWWCZ-UHFFFAOYSA-N	-1	3	365.352	2.111	20	30		FEEDHM
CC(C)[N-]S(=O)(=O)c1cc(C(=O)NC2(C#N)CCCCC2)ccc1F	ZINC000126520459	672025283	/nfs/dbraw/zinc/02/52/83/672025283.db2.gz	VMFJGXZQYLRZDP-UHFFFAOYSA-N	-1	3	367.446	2.469	20	30		FEEDHM
CC(=O)Nc1ccc([N-]S(=O)(=O)c2cncc(C#N)c2)c(Cl)c1	ZINC000584264210	672171050	/nfs/dbraw/zinc/17/10/50/672171050.db2.gz	NSWJCRBZWJIYIH-UHFFFAOYSA-N	-1	3	350.787	2.366	20	30		FEEDHM
C=CCOCCNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1	ZINC000679648882	672513360	/nfs/dbraw/zinc/51/33/60/672513360.db2.gz	OLTQWZOAQNKABQ-UHFFFAOYSA-N	-1	3	351.200	2.223	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CC[C@@](O)(C(F)(F)F)C2)c(Cl)c1	ZINC000589921901	672547873	/nfs/dbraw/zinc/54/78/73/672547873.db2.gz	CPGJZHNVERFMCF-SKDRFNHKSA-N	-1	3	368.764	2.336	20	30		FEEDHM
N#CC1(CS(=O)(=O)[N-][C@@H](CO)c2ccc(F)cc2F)CCCCC1	ZINC000595384849	673239330	/nfs/dbraw/zinc/23/93/30/673239330.db2.gz	QFORGTCHYSTHDH-HNNXBMFYSA-N	-1	3	358.410	2.392	20	30		FEEDHM
Cn1cc(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)c(=O)[nH]c1=O	ZINC000613407098	676127531	/nfs/dbraw/zinc/12/75/31/676127531.db2.gz	IUTKSPSPHZGIRX-QMMMGPOBSA-N	-1	3	360.782	2.239	20	30		FEEDHM
C[C@H](C(=O)Nc1ccc(Br)cc1)n1ccc(C=N[O-])nc1=O	ZINC000736302846	673519199	/nfs/dbraw/zinc/51/91/99/673519199.db2.gz	SWINSYVJRQCNNG-SECBINFHSA-N	-1	3	365.187	2.014	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCC[C@H]([S@@](C)=O)C1	ZINC000598766880	673609667	/nfs/dbraw/zinc/60/96/67/673609667.db2.gz	SRUHXNLDKCNSLN-PJGQNWHFSA-N	-1	3	363.483	2.014	20	30		FEEDHM
Cc1ccc(N=Cc2ccc(O)c([O-])c2O)cc1N1CCCS1(=O)=O	ZINC000740763398	673653503	/nfs/dbraw/zinc/65/35/03/673653503.db2.gz	BHQNYVPECNNFGR-UHFFFAOYSA-N	-1	3	362.407	2.402	20	30		FEEDHM
C[C@@H](CC(=O)Nc1ccccc1F)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000742466178	673728799	/nfs/dbraw/zinc/72/87/99/673728799.db2.gz	HTVMUZPPAIDYHI-NSHDSACASA-N	-1	3	361.398	2.282	20	30		FEEDHM
CC(C)CCN(C)C(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000742527776	673729629	/nfs/dbraw/zinc/72/96/29/673729629.db2.gz	MGGXXSUGSQVJOS-ZDUSSCGKSA-N	-1	3	351.472	2.008	20	30		FEEDHM
CCN(CC(C)C)C(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000742528709	673730043	/nfs/dbraw/zinc/73/00/43/673730043.db2.gz	ZIBUAYHBNDJEGH-ZDUSSCGKSA-N	-1	3	351.472	2.008	20	30		FEEDHM
COc1cc(C=Nn2c(=S)[nH][nH]c2=S)cc(Br)c1[O-]	ZINC000744762310	673810252	/nfs/dbraw/zinc/81/02/52/673810252.db2.gz	RDPIZXNUFLITCZ-UHFFFAOYSA-N	-1	3	361.246	2.214	20	30		FEEDHM
Cc1ccsc1[C@@H](CO)[N-]S(=O)(=O)c1c(C)cc(F)cc1C#N	ZINC000601364879	673848938	/nfs/dbraw/zinc/84/89/38/673848938.db2.gz	OICKVTKMNDSMRT-CYBMUJFWSA-N	-1	3	354.428	2.388	20	30		FEEDHM
CC(=N[N-]S(=O)(=O)Cc1ccccc1)c1ccc([S@](C)=O)cc1	ZINC000746370000	673875184	/nfs/dbraw/zinc/87/51/84/673875184.db2.gz	DYEPRAQKNLWBQA-QFIPXVFZSA-N	-1	3	350.465	2.268	20	30		FEEDHM
COc1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1C#N	ZINC000746680252	673889650	/nfs/dbraw/zinc/88/96/50/673889650.db2.gz	IEFYXXKGCWTKMK-UHFFFAOYSA-N	-1	3	365.342	2.093	20	30		FEEDHM
CCC1(CC)CN(C(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)C1	ZINC000818107440	675196641	/nfs/dbraw/zinc/19/66/41/675196641.db2.gz	BMKOQBQOXIIYQY-CYBMUJFWSA-N	-1	3	363.483	2.152	20	30		FEEDHM
CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NCC(C)(F)F	ZINC000818251538	675207088	/nfs/dbraw/zinc/20/70/88/675207088.db2.gz	AMFWIZOTKRJKAP-LBPRGKRZSA-N	-1	3	373.425	2.055	20	30		FEEDHM
C=CCC1(C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)CCOCC1	ZINC000819534205	675296958	/nfs/dbraw/zinc/29/69/58/675296958.db2.gz	FHZUINXCYLVYMW-ZDUSSCGKSA-N	-1	3	362.392	2.276	20	30		FEEDHM
CCOc1ccc([C@]2(C(=O)N[C@H]3CCN([O-])C3=O)CC2(Cl)Cl)cc1	ZINC000820120574	675337158	/nfs/dbraw/zinc/33/71/58/675337158.db2.gz	QSLLLLKDZWOBJF-WFASDCNBSA-N	-1	3	373.236	2.007	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)OCCC[C@@H]2CCOC2)ccc1F	ZINC000828696460	675837847	/nfs/dbraw/zinc/83/78/47/675837847.db2.gz	MUOISFDWHATQJO-CYBMUJFWSA-N	-1	3	371.430	2.264	20	30		FEEDHM
C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H](C)[N-]S(=O)(=O)c1c(C)noc1C	ZINC000617034964	676267854	/nfs/dbraw/zinc/26/78/54/676267854.db2.gz	GJNRWDAQTAAYLR-CFVMTHIKSA-N	-1	3	369.487	2.209	20	30		FEEDHM
CC#CC[C@H](CO)[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F	ZINC000645882523	677274129	/nfs/dbraw/zinc/27/41/29/677274129.db2.gz	RQDQSYSWDNHMBK-SNVBAGLBSA-N	-1	3	355.765	2.411	20	30		FEEDHM
C[C@H](CC(=O)O[C@H](C)c1ccco1)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000764783618	680821039	/nfs/dbraw/zinc/82/10/39/680821039.db2.gz	VRYWUDYSYDWBCZ-VXGBXAGGSA-N	-1	3	362.407	2.401	20	30		FEEDHM
C[C@H](CC(=O)N(C)c1ccsc1)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000912009073	685298193	/nfs/dbraw/zinc/29/81/93/685298193.db2.gz	FKSCDLWEFBROEU-LLVKDONJSA-N	-1	3	363.464	2.228	20	30		FEEDHM
C[N-]S(=O)(=O)c1cc(C(=O)OCc2ccc(C#N)cc2F)ccc1F	ZINC000752581272	680249749	/nfs/dbraw/zinc/24/97/49/680249749.db2.gz	UIJOQURSPJOPGE-UHFFFAOYSA-N	-1	3	366.345	2.102	20	30		FEEDHM
CSCC[C@H](C)OC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000835819048	680384748	/nfs/dbraw/zinc/38/47/48/680384748.db2.gz	WULSWIUVMRWGCI-RYUDHWBXSA-N	-1	3	370.496	2.189	20	30		FEEDHM
CC(C)N(C(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21)C1CC(C)(C)C1	ZINC000837183865	680564159	/nfs/dbraw/zinc/56/41/59/680564159.db2.gz	YNOVNXHEUKJMKY-UHFFFAOYSA-N	-1	3	363.483	2.151	20	30		FEEDHM
O=c1nc(C=N[O-])ccn1Cc1cc(Br)cc2cccnc21	ZINC000759766865	680666734	/nfs/dbraw/zinc/66/67/34/680666734.db2.gz	OMHAUXURDDJEIP-UHFFFAOYSA-N	-1	3	359.183	2.410	20	30		FEEDHM
COC(=O)c1cncc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)c1	ZINC000760197362	680679556	/nfs/dbraw/zinc/67/95/56/680679556.db2.gz	JLWZZYOUPJDEKA-CQSZACIVSA-N	-1	3	357.753	2.483	20	30		FEEDHM
C[C@](NC(=O)N[C@H]1CCCN([O-])C1=O)(c1ccc(F)cc1)C(F)(F)F	ZINC000933551478	681431440	/nfs/dbraw/zinc/43/14/40/681431440.db2.gz	XYLBSMWHJUFLIA-FZMZJTMJSA-N	-1	3	363.311	2.283	20	30		FEEDHM
O=C(N[C@@H]1CCCN([O-])C1=O)C1(c2cc(F)cc(Br)c2)CC1	ZINC000848132175	681478118	/nfs/dbraw/zinc/47/81/18/681478118.db2.gz	IFCFCVQDAGAYPS-GFCCVEGCSA-N	-1	3	371.206	2.116	20	30		FEEDHM
Cc1nc(COc2ccccc2C(=O)N[C@@H]2CCCN([O-])C2=O)cs1	ZINC000848137697	681478713	/nfs/dbraw/zinc/47/87/13/681478713.db2.gz	HNICTACVRXQSSN-CQSZACIVSA-N	-1	3	361.423	2.141	20	30		FEEDHM
Cc1nc(COc2ccccc2C(=O)N[C@H]2CCCN([O-])C2=O)cs1	ZINC000848137696	681478749	/nfs/dbraw/zinc/47/87/49/681478749.db2.gz	HNICTACVRXQSSN-AWEZNQCLSA-N	-1	3	361.423	2.141	20	30		FEEDHM
C=C(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(C(=O)OC)cc(C)c1F	ZINC000848453934	681547916	/nfs/dbraw/zinc/54/79/16/681547916.db2.gz	UQBNZSDTOUXMEL-BLLLJJGKSA-N	-1	3	371.430	2.180	20	30		FEEDHM
CCC(CC)([N-]S(=O)(=O)Cc1c(C)cc(C#N)cc1C)C(=O)OC	ZINC000914201845	685498684	/nfs/dbraw/zinc/49/86/84/685498684.db2.gz	SWRBNWHCPDRYEA-UHFFFAOYSA-N	-1	3	352.456	2.326	20	30		FEEDHM
C[C@H](CC(=O)OC[C@H]1C[C@H]2C[C@H]2C1)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000851414824	682062166	/nfs/dbraw/zinc/06/21/66/682062166.db2.gz	HFCIOCPFMNVRIH-SYQHCUMBSA-N	-1	3	362.451	2.093	20	30		FEEDHM
CCOc1ccc(NC(=S)NN=C2C(=O)Nc3cc([O-])ccc32)cc1	ZINC000915943148	685519799	/nfs/dbraw/zinc/51/97/99/685519799.db2.gz	UULFXHXJBJHTSN-UHFFFAOYSA-N	-1	3	356.407	2.434	20	30		FEEDHM
Cc1ncc(CO)c(C=NNC(=S)N[C@@H]2CCC[C@H](C)[C@@H]2C)c1[O-]	ZINC000916352569	685523762	/nfs/dbraw/zinc/52/37/62/685523762.db2.gz	RUALWOFYIHSMIZ-ZIBATOQPSA-N	-1	3	350.488	2.211	20	30		FEEDHM
C=C[C@@H]1CCCCN1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1	ZINC000785854505	682331810	/nfs/dbraw/zinc/33/18/10/682331810.db2.gz	HFZLLBFGKFOQLQ-CQSZACIVSA-N	-1	3	352.431	2.447	20	30		FEEDHM
COc1cccc([C@@H](C#N)[N-]C(=O)C(F)(F)C2(O)CCCC2)c1OC	ZINC000786107189	682351002	/nfs/dbraw/zinc/35/10/02/682351002.db2.gz	UVTWDEQTSSCQKP-GFCCVEGCSA-N	-1	3	354.353	2.325	20	30		FEEDHM
Cc1ncc(C=Nn2c(=S)[n-]nc2[C@@H]2COc3ccccc3O2)n1C	ZINC000853271200	682400445	/nfs/dbraw/zinc/40/04/45/682400445.db2.gz	CGDUWECXCRFJOD-AWEZNQCLSA-N	-1	3	356.411	2.003	20	30		FEEDHM
CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OCC1(C)CC1	ZINC000790808187	682703241	/nfs/dbraw/zinc/70/32/41/682703241.db2.gz	PUDLWHUCZAXXEC-AWEZNQCLSA-N	-1	3	364.467	2.483	20	30		FEEDHM
C=C(C)CN(CC)C(=O)[C@@H](C)OC(=O)c1ccc([N-]S(C)(=O)=O)cc1	ZINC000858086674	682933120	/nfs/dbraw/zinc/93/31/20/682933120.db2.gz	RWVFTRYFJBQHLQ-CYBMUJFWSA-N	-1	3	368.455	2.028	20	30		FEEDHM
C=CCCC[C@@H]([N-]S(=O)(=O)c1cnccc1C(F)(F)F)C(=O)OC	ZINC000921384946	683448523	/nfs/dbraw/zinc/44/85/23/683448523.db2.gz	ZRDPUDOZGILCLK-LLVKDONJSA-N	-1	3	366.361	2.277	20	30		FEEDHM
CC(=NNCCCN1CCOCC1)c1ccc(Br)cc1[O-]	ZINC000799490257	683460438	/nfs/dbraw/zinc/46/04/38/683460438.db2.gz	WSAGNBYEWYZVSB-UHFFFAOYSA-N	-1	3	356.264	2.191	20	30		FEEDHM
C#CCN1CCC([N-]S(=O)(=O)c2oc3ccc(F)cc3c2C)CC1	ZINC000921437933	683467640	/nfs/dbraw/zinc/46/76/40/683467640.db2.gz	KZUMPFOCZBOFCZ-UHFFFAOYSA-N	-1	3	350.415	2.256	20	30		FEEDHM
C#C[C@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)OC)c2F)CC1	ZINC000872671833	685002800	/nfs/dbraw/zinc/00/28/00/685002800.db2.gz	XOEPILPQDNFCBP-XYPYZODXSA-N	-1	3	357.378	2.222	20	30		FEEDHM
COCc1ccc(NC(=O)N[C@H]2CCCN([O-])C2=O)cc1C(F)(F)F	ZINC000880099569	686998445	/nfs/dbraw/zinc/99/84/45/686998445.db2.gz	PUZAHTMGYYHXRV-LBPRGKRZSA-N	-1	3	361.320	2.354	20	30		FEEDHM
CCOC(=O)c1csc(C(C#N)=C([O-])c2c3c(nn2C)CCCC3)n1	ZINC000892624574	689219712	/nfs/dbraw/zinc/21/97/12/689219712.db2.gz	PWDMHGOMTSZOTM-LLVKDONJSA-N	-1	3	358.423	2.422	20	30		FEEDHM
COc1ccc(S(=O)(=O)[N-][C@@H](CC#N)C(F)(F)F)c2ncccc12	ZINC000901772681	690692891	/nfs/dbraw/zinc/69/28/91/690692891.db2.gz	VWIKBCBNOJJXSN-LBPRGKRZSA-N	-1	3	359.329	2.366	20	30		FEEDHM
O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)N([O-])Cc1ccccc1Cl	ZINC000904187866	691011008	/nfs/dbraw/zinc/01/10/08/691011008.db2.gz	VJGPLBAGAYYABS-STQMWFEESA-N	-1	3	350.802	2.233	20	30		FEEDHM
C=C(Cl)C[C@H](NC(=O)[C@H]1CCCN(Cc2cccnc2)C1)C(=O)[O-]	ZINC000910264391	691908325	/nfs/dbraw/zinc/90/83/25/691908325.db2.gz	CHVVNOKODQVEOJ-GJZGRUSLSA-N	-1	3	351.834	2.006	20	30		FEEDHM
COC(=O)C[C@@H]([N-]S(=O)(=O)c1ccccc1C#N)c1cccs1	ZINC000024485780	539733105	/nfs/dbraw/zinc/73/31/05/539733105.db2.gz	XNYGOTAOFFPLAJ-GFCCVEGCSA-N	-1	3	350.421	2.202	20	30		FEEDHM
N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc3n[n-]nc3c2)CC1	ZINC000029048781	539841236	/nfs/dbraw/zinc/84/12/36/539841236.db2.gz	YIGFLIAHTJMZIP-GOSISDBHSA-N	-1	3	364.384	2.120	20	30		FEEDHM
C=CCn1c(C)nnc1SCC(=O)c1ccc([N-]S(C)(=O)=O)cc1	ZINC000032860582	539955930	/nfs/dbraw/zinc/95/59/30/539955930.db2.gz	UTILXWLNFRVRSZ-UHFFFAOYSA-N	-1	3	366.468	2.119	20	30		FEEDHM
Cc1[n-][nH]c(=O)c1CCNc1nc2c(c(C#N)c1C#N)CCCCCC2	ZINC000530528218	539993552	/nfs/dbraw/zinc/99/35/52/539993552.db2.gz	LIAJNMIIGORPLA-CYBMUJFWSA-N	-1	3	350.426	2.408	20	30		FEEDHM
COCc1cccc(CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1	ZINC000046848686	540273192	/nfs/dbraw/zinc/27/31/92/540273192.db2.gz	HASCUYYGIYLYQJ-UHFFFAOYSA-N	-1	3	353.422	2.259	20	30		FEEDHM
Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1nnc(-c2ccccn2)[n-]1	ZINC000047343014	540304358	/nfs/dbraw/zinc/30/43/58/540304358.db2.gz	XRUYTQVSZYECNU-UHFFFAOYSA-N	-1	3	364.413	2.165	20	30		FEEDHM
Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1nc(-c2ccccn2)n[n-]1	ZINC000047343014	540304359	/nfs/dbraw/zinc/30/43/59/540304359.db2.gz	XRUYTQVSZYECNU-UHFFFAOYSA-N	-1	3	364.413	2.165	20	30		FEEDHM
Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1n[n-]c(-c2ccccn2)n1	ZINC000047343014	540304362	/nfs/dbraw/zinc/30/43/62/540304362.db2.gz	XRUYTQVSZYECNU-UHFFFAOYSA-N	-1	3	364.413	2.165	20	30		FEEDHM
C[C@H](C1CCCCC1)N(C)C(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000801094532	674101816	/nfs/dbraw/zinc/10/18/16/674101816.db2.gz	ZJJBMDBJCZZSFX-CYBMUJFWSA-N	-1	3	363.483	2.152	20	30		FEEDHM
Cn1cc([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)ccc1=O	ZINC000057122804	540770136	/nfs/dbraw/zinc/77/01/36/540770136.db2.gz	WRLHZOUPFJQDKF-UHFFFAOYSA-N	-1	3	357.313	2.077	20	30		FEEDHM
CC(C)[C@@H]([N-]S(=O)(=O)CCCCC#N)c1nc(-c2ccncc2)no1	ZINC000068909600	541639962	/nfs/dbraw/zinc/63/99/62/541639962.db2.gz	DLIXRFOJXSVTJU-CQSZACIVSA-N	-1	3	363.443	2.442	20	30		FEEDHM
C#CCN(CC#C)C(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C(C)(C)C)c1	ZINC000075400327	542177710	/nfs/dbraw/zinc/17/77/10/542177710.db2.gz	PXMDECCHZRNASS-UHFFFAOYSA-N	-1	3	366.870	2.125	20	30		FEEDHM
CC[C@@H](C#N)[N-]S(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1	ZINC000092353091	542859302	/nfs/dbraw/zinc/85/93/02/542859302.db2.gz	JCUZNJZSDKJPIH-NSHDSACASA-N	-1	3	357.501	2.033	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(-c2ncon2)c1	ZINC000101525838	543029332	/nfs/dbraw/zinc/02/93/32/543029332.db2.gz	ATIVJTOILCDTOP-UHFFFAOYSA-N	-1	3	363.377	2.485	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCS[C@H](C)[C@@H]2C)ccc1F	ZINC000118294712	543649535	/nfs/dbraw/zinc/64/95/35/543649535.db2.gz	VWGWDGAAZPFVIV-NWDGAFQWSA-N	-1	3	372.487	2.256	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@]1(C#N)CCC[C@H](C)C1	ZINC000116811943	543617014	/nfs/dbraw/zinc/61/70/14/543617014.db2.gz	FOSFCQKEMGJEMH-YWPYICTPSA-N	-1	3	355.485	2.004	20	30		FEEDHM
C=CCCS(=O)(=O)[N-]c1cccc(S(=O)(=O)N2CCCCC2)c1	ZINC000123004421	543736565	/nfs/dbraw/zinc/73/65/65/543736565.db2.gz	HTNABFFBEXBSIN-UHFFFAOYSA-N	-1	3	358.485	2.179	20	30		FEEDHM
COc1cccc(O[C@@H](C)C[N-]S(=O)(=O)c2ccc(F)cc2C#N)c1	ZINC000122632581	543714795	/nfs/dbraw/zinc/71/47/95/543714795.db2.gz	NMLPTRCHCVHDPF-LBPRGKRZSA-N	-1	3	364.398	2.452	20	30		FEEDHM
COC(=O)[C@H](C)[C@H]([N-]S(=O)(=O)c1ccccc1C#N)c1ccccc1	ZINC000124434131	543821018	/nfs/dbraw/zinc/82/10/18/543821018.db2.gz	KKHRQZDTSWYHDW-DYVFJYSZSA-N	-1	3	358.419	2.387	20	30		FEEDHM
CC(C)[C@H]1OCCC[C@H]1C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000125507386	543885684	/nfs/dbraw/zinc/88/56/84/543885684.db2.gz	NPWMAXRYOODNLA-BLLLJJGKSA-N	-1	3	367.427	2.196	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@H](C)[C@H](n2ccnc2)C1	ZINC000126138632	543920455	/nfs/dbraw/zinc/92/04/55/543920455.db2.gz	JEUBICOLXXBKCH-SCLBCKFNSA-N	-1	3	367.453	2.102	20	30		FEEDHM
CCO[C@H]1C[C@@H](N(C)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C1(C)C	ZINC000127864523	544018417	/nfs/dbraw/zinc/01/84/17/544018417.db2.gz	YBXWQXWDHKWVQL-SJORKVTESA-N	-1	3	359.470	2.458	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)[C@H](O)Cc1ccccc1	ZINC000129211349	544098065	/nfs/dbraw/zinc/09/80/65/544098065.db2.gz	NAWFUHFVMSCFGE-MLGOLLRUSA-N	-1	3	364.854	2.482	20	30		FEEDHM
C=CC[C@@H](C)NS(=O)(=O)c1ccc([N-]S(=O)(=O)C(C)C)c(F)c1	ZINC000133268972	544262477	/nfs/dbraw/zinc/26/24/77/544262477.db2.gz	JTTFGWMCRLDPEX-LLVKDONJSA-N	-1	3	364.464	2.219	20	30		FEEDHM
C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C#N)cc2F)c1	ZINC000135364294	544343533	/nfs/dbraw/zinc/34/35/33/544343533.db2.gz	ZVKICGWUMSIVHS-UHFFFAOYSA-N	-1	3	359.382	2.414	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]C[C@@H](c2ccco2)N2CCCC2)c(F)c1	ZINC000151014671	544496477	/nfs/dbraw/zinc/49/64/77/544496477.db2.gz	GOLWMIDPGDLKOB-HNNXBMFYSA-N	-1	3	363.414	2.406	20	30		FEEDHM
CC(C)[C@@H]([N-]S(=O)(=O)Cc1cccc(C#N)c1)C(=O)OC(C)(C)C	ZINC000153274177	544755315	/nfs/dbraw/zinc/75/53/15/544755315.db2.gz	JTAIFHIYDLTUBY-OAHLLOKOSA-N	-1	3	352.456	2.344	20	30		FEEDHM
Cn1cc([C@@H]([N-]S(=O)(=O)c2ccccc2C#N)c2ccc(F)cc2)cn1	ZINC000186493806	327964739	/nfs/dbraw/zinc/96/47/39/327964739.db2.gz	HHMVICBGLUJYHA-SFHVURJKSA-N	-1	3	370.409	2.499	20	30		FEEDHM
C[C@H](CNC(=O)c1ccc(C#N)c([O-])c1)N1CCN(c2ccccc2)CC1	ZINC000190533130	328214599	/nfs/dbraw/zinc/21/45/99/328214599.db2.gz	DAXRMAAHZQLEJX-MRXNPFEDSA-N	-1	3	364.449	2.204	20	30		FEEDHM
CCc1ccc(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c([O-])c1	ZINC000191066875	328248442	/nfs/dbraw/zinc/24/84/42/328248442.db2.gz	YCHMPQWIARNMKI-SFHVURJKSA-N	-1	3	363.417	2.357	20	30		FEEDHM
COc1cc(CCNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)ccc1C	ZINC000078145884	325033392	/nfs/dbraw/zinc/03/33/92/325033392.db2.gz	HREVUCOAFSVPLY-UHFFFAOYSA-N	-1	3	367.449	2.472	20	30		FEEDHM
CCOC(=O)CN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C1CCCC1	ZINC000081591813	325187508	/nfs/dbraw/zinc/18/75/08/325187508.db2.gz	OIADWEOTRVDAJT-UHFFFAOYSA-N	-1	3	373.453	2.130	20	30		FEEDHM
C[C@H](CCc1cccn1C)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000122455511	326397308	/nfs/dbraw/zinc/39/73/08/326397308.db2.gz	CHOYNPLBJLVSEA-GFCCVEGCSA-N	-1	3	362.411	2.105	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc(-n3cccn3)cc2)c(F)c1	ZINC000151066432	326674082	/nfs/dbraw/zinc/67/40/82/326674082.db2.gz	BJDNYWGMWKNASM-UHFFFAOYSA-N	-1	3	356.382	2.362	20	30		FEEDHM
N#Cc1cc(F)ccc1S(=O)(=O)[N-]Cc1ccnc(N2CCCC2)c1	ZINC000156335649	326827075	/nfs/dbraw/zinc/82/70/75/326827075.db2.gz	JPPFCKCWJDTOPX-UHFFFAOYSA-N	-1	3	360.414	2.171	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)CC(=O)c1ccco1	ZINC000158138542	326886311	/nfs/dbraw/zinc/88/63/11/326886311.db2.gz	PIDGSMDLTMCMCG-NSHDSACASA-N	-1	3	355.394	2.167	20	30		FEEDHM
N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCN(c2ccccn2)C1	ZINC000159308760	326926658	/nfs/dbraw/zinc/92/66/58/326926658.db2.gz	DZPWGJWQOXVKRW-CQSZACIVSA-N	-1	3	362.842	2.164	20	30		FEEDHM
C[C@H](NC(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1)c1ccc(C#N)cc1	ZINC000162597200	327029530	/nfs/dbraw/zinc/02/95/30/327029530.db2.gz	KWMRIEPPIRILBB-YUNKPMOVSA-N	-1	3	362.389	2.104	20	30		FEEDHM
CCc1noc(CC)c1C[N-]S(=O)(=O)Cc1cc(C#N)ccc1F	ZINC000164377988	327069447	/nfs/dbraw/zinc/06/94/47/327069447.db2.gz	ONHGYBPFXSVZNK-UHFFFAOYSA-N	-1	3	351.403	2.430	20	30		FEEDHM
C[C@H]1C[C@H]([N-]S(=O)(=O)Cc2cccc(C#N)c2)C(=O)N1c1ccccc1	ZINC000173685394	327276773	/nfs/dbraw/zinc/27/67/73/327276773.db2.gz	YTWRUTIVFPJDAL-KSSFIOAISA-N	-1	3	369.446	2.172	20	30		FEEDHM
N#Cc1ccc(F)c(CNC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])c1	ZINC000174546872	327333990	/nfs/dbraw/zinc/33/39/90/327333990.db2.gz	GKMNSQRDDVMJOW-QGZVFWFLSA-N	-1	3	367.380	2.324	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)CCc1cccn1C	ZINC000174587556	327336681	/nfs/dbraw/zinc/33/66/81/327336681.db2.gz	XFTNXRMPNVCKFN-CYBMUJFWSA-N	-1	3	354.454	2.272	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCc1ccccc1[N+](=O)[O-]	ZINC000266017201	329182106	/nfs/dbraw/zinc/18/21/06/329182106.db2.gz	FFMHNRNNFBJNBT-UHFFFAOYSA-N	-1	3	368.393	2.475	20	30		FEEDHM
COC(=O)c1sccc1S(=O)(=O)[N-]C1(c2cccc(C#N)c2)CC1	ZINC000269668365	329538932	/nfs/dbraw/zinc/53/89/32/329538932.db2.gz	AHMHBPZBYMJGKB-UHFFFAOYSA-N	-1	3	362.432	2.374	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](CO)c1ccc(F)cc1	ZINC000271332113	329684711	/nfs/dbraw/zinc/68/47/11/329684711.db2.gz	QKZRRLOIRNTFSP-KRWDZBQOSA-N	-1	3	357.385	2.197	20	30		FEEDHM
COc1cc(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)ccc1[O-]	ZINC000276032634	330113233	/nfs/dbraw/zinc/11/32/33/330113233.db2.gz	MBLCVBNTSDHEFD-UHFFFAOYSA-N	-1	3	351.406	2.230	20	30		FEEDHM
CC(C)(CCC#N)CNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1	ZINC000805281709	674328908	/nfs/dbraw/zinc/32/89/08/674328908.db2.gz	CMBWIVUILKCSRE-UHFFFAOYSA-N	-1	3	367.446	2.326	20	30		FEEDHM
N#CCSCCCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1	ZINC000805390634	674334293	/nfs/dbraw/zinc/33/42/93/674334293.db2.gz	AGPFMGKGEDYVRP-UHFFFAOYSA-N	-1	3	372.443	2.070	20	30		FEEDHM
N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2	ZINC000155905265	545583045	/nfs/dbraw/zinc/58/30/45/545583045.db2.gz	UVADUOKAUFEGBK-CFVMTHIKSA-N	-1	3	352.843	2.448	20	30		FEEDHM
COC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)c1cccs1	ZINC000156323100	545617122	/nfs/dbraw/zinc/61/71/22/545617122.db2.gz	YCPMAHAFDGELMV-LBPRGKRZSA-N	-1	3	368.411	2.342	20	30		FEEDHM
CS[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1	ZINC000157695835	545772620	/nfs/dbraw/zinc/77/26/20/545772620.db2.gz	NNFDGHPGJILXIN-QWRGUYRKSA-N	-1	3	355.441	2.419	20	30		FEEDHM
CC(C)(C)CN(CCC#N)C(=O)CNC(=O)c1c[n-]c2ccccc2c1=O	ZINC000477776227	561153069	/nfs/dbraw/zinc/15/30/69/561153069.db2.gz	JPLNYVZWVVGZRD-UHFFFAOYSA-N	-1	3	368.437	2.046	20	30		FEEDHM
C=CCN(Cc1cccc(C#N)c1)C(=O)c1cc(S(=O)(=O)[N-]C)oc1C	ZINC000175897522	546368882	/nfs/dbraw/zinc/36/88/82/546368882.db2.gz	ASHPFLLUHCYJPP-UHFFFAOYSA-N	-1	3	373.434	2.196	20	30		FEEDHM
CCc1[n-][nH]c(=NC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)c1C	ZINC000480326725	561207279	/nfs/dbraw/zinc/20/72/79/561207279.db2.gz	FOTLWGYZHXMPNF-UHFFFAOYSA-N	-1	3	369.816	2.479	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]Cc2ncnn2-c2ccccc2)c(Cl)c1	ZINC000480403292	561208473	/nfs/dbraw/zinc/20/84/73/561208473.db2.gz	RKDNQFZEWUJMBZ-UHFFFAOYSA-N	-1	3	373.825	2.271	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)Cc1ccc(C#N)cc1F)C(=O)Nc1ccccc1	ZINC000481051033	561224002	/nfs/dbraw/zinc/22/40/02/561224002.db2.gz	NGMWQPYPSQZPIU-LBPRGKRZSA-N	-1	3	361.398	2.144	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)c1cccnc1C#N)c1ccc(Br)cn1	ZINC000481249308	561228988	/nfs/dbraw/zinc/22/89/88/561228988.db2.gz	HCTZFPURZBIIEE-VIFPVBQESA-N	-1	3	367.228	2.150	20	30		FEEDHM
N#Cc1ccccc1N1CCCN(CCC[N-]C(=O)C(F)(F)F)CC1	ZINC000178397960	546785956	/nfs/dbraw/zinc/78/59/56/546785956.db2.gz	MWNJQXZHBMLJSX-UHFFFAOYSA-N	-1	3	354.376	2.139	20	30		FEEDHM
N#CCCCCS(=O)(=O)[N-][C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O	ZINC000180170082	547062304	/nfs/dbraw/zinc/06/23/04/547062304.db2.gz	BGIQAJRKLPMNBZ-AWEZNQCLSA-N	-1	3	373.837	2.198	20	30		FEEDHM
CC(C)(C)OCc1cc(C[N-]S(=O)(=O)c2ccc(F)c(C#N)c2)no1	ZINC000186225706	548102774	/nfs/dbraw/zinc/10/27/74/548102774.db2.gz	MYNFBXUNFRDFGH-UHFFFAOYSA-N	-1	3	367.402	2.479	20	30		FEEDHM
COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@@]1(C#N)CCC[C@H](C)C1	ZINC000186581820	548154824	/nfs/dbraw/zinc/15/48/24/548154824.db2.gz	LLXHGCCSOFQPRI-QFYYESIMSA-N	-1	3	354.428	2.434	20	30		FEEDHM
C=CC[C@H](CO)[N-]S(=O)(=O)c1ccc(Br)cc1Cl	ZINC000186666315	548170411	/nfs/dbraw/zinc/17/04/11/548170411.db2.gz	JSHACIILKUAFPF-SECBINFHSA-N	-1	3	354.653	2.318	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Oc1ccc2c(c1)NC(=O)CC2	ZINC000186681994	548173575	/nfs/dbraw/zinc/17/35/75/548173575.db2.gz	LFBZGSYWPWEHNO-UHFFFAOYSA-N	-1	3	365.389	2.286	20	30		FEEDHM
COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1cccc(C#N)c1	ZINC000195442499	548640885	/nfs/dbraw/zinc/64/08/85/548640885.db2.gz	DZKUNGUGMZJWCU-UHFFFAOYSA-N	-1	3	364.810	2.477	20	30		FEEDHM
CN(C(N)=O)c1cccc([N-]S(=O)(=O)Cc2cc(C#N)ccc2F)c1	ZINC000487380686	561368854	/nfs/dbraw/zinc/36/88/54/561368854.db2.gz	QJFLFYDRFAKGEV-UHFFFAOYSA-N	-1	3	362.386	2.154	20	30		FEEDHM
C=CCCCS(=O)(=O)[N-][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O	ZINC000489696850	561417186	/nfs/dbraw/zinc/41/71/86/561417186.db2.gz	HCHBCIMOPCXYLH-CQSZACIVSA-N	-1	3	360.838	2.470	20	30		FEEDHM
C#CC(C)(C)NC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl	ZINC000265249678	550007996	/nfs/dbraw/zinc/00/79/96/550007996.db2.gz	SVPQBRDPUFMRPJ-UHFFFAOYSA-N	-1	3	363.266	2.190	20	30		FEEDHM
CC(C)(C)[N-]S(=O)(=O)c1cc(NC(=O)CSCC#N)ccc1F	ZINC000265830345	550014453	/nfs/dbraw/zinc/01/44/53/550014453.db2.gz	WMSOKDJPTAKXGZ-UHFFFAOYSA-N	-1	3	359.448	2.098	20	30		FEEDHM
CN(C)C(=O)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C#N)C1	ZINC000269687901	550217028	/nfs/dbraw/zinc/21/70/28/550217028.db2.gz	VWONQDMRGOJHDB-SMDDNHRTSA-N	-1	3	369.874	2.137	20	30		FEEDHM
Cc1ncc(CO)c(/C=N/[C@@H]2CCCN(c3ccccc3F)C2=O)c1[O-]	ZINC000270499040	550277920	/nfs/dbraw/zinc/27/79/20/550277920.db2.gz	MFYOKTHBGIXOPD-YJCKXXIQSA-N	-1	3	357.385	2.342	20	30		FEEDHM
COC(=O)[C@H](CC1CCCCC1)[N-]S(=O)(=O)Cc1cccc(C#N)c1	ZINC000494309581	561466894	/nfs/dbraw/zinc/46/68/94/561466894.db2.gz	JCNWFTSTXMVQBL-KRWDZBQOSA-N	-1	3	364.467	2.490	20	30		FEEDHM
C=CCN(CCc1ccco1)C(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1	ZINC000272559280	550457620	/nfs/dbraw/zinc/45/76/20/550457620.db2.gz	DVMKAFJAVRNQTH-CYBMUJFWSA-N	-1	3	368.480	2.265	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc([C@@H]2CN(C(C)C)CCO2)no1	ZINC000272643356	550462589	/nfs/dbraw/zinc/46/25/89/550462589.db2.gz	LWJIHWIFHGHKHJ-INIZCTEOSA-N	-1	3	371.441	2.226	20	30		FEEDHM
O=S(=O)([N-]C[C@H](O)C(F)(F)F)c1ccc(C(F)(F)F)cc1F	ZINC000275793444	550574587	/nfs/dbraw/zinc/57/45/87/550574587.db2.gz	OQJUPNFBLBOBOL-QMMMGPOBSA-N	-1	3	355.231	2.046	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1	ZINC000277188216	550641550	/nfs/dbraw/zinc/64/15/50/550641550.db2.gz	OJKLOIHOQVTFTN-CZUORRHYSA-N	-1	3	363.826	2.415	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-]C1CCC(O)(c2ccccc2)CC1	ZINC000277246743	550647406	/nfs/dbraw/zinc/64/74/06/550647406.db2.gz	VEEPJOYOHJMSIX-UHFFFAOYSA-N	-1	3	357.435	2.062	20	30		FEEDHM
CCOC(=O)c1nnc(C2CCN(C(=O)c3cccc(CC#N)c3)CC2)[n-]1	ZINC000277583503	550687732	/nfs/dbraw/zinc/68/77/32/550687732.db2.gz	CMNIVKGYONUQSR-UHFFFAOYSA-N	-1	3	367.409	2.067	20	30		FEEDHM
CCOC(=O)c1nc(C2CCN(C(=O)c3cccc(CC#N)c3)CC2)n[n-]1	ZINC000277583503	550687733	/nfs/dbraw/zinc/68/77/33/550687733.db2.gz	CMNIVKGYONUQSR-UHFFFAOYSA-N	-1	3	367.409	2.067	20	30		FEEDHM
Cc1ccc(C#N)cc1S(=O)(=O)[N-][C@H](c1cnn(C)c1)C(F)(F)F	ZINC000278835937	550827387	/nfs/dbraw/zinc/82/73/87/550827387.db2.gz	JGKXRYHYUYMYRQ-CYBMUJFWSA-N	-1	3	358.345	2.182	20	30		FEEDHM
Cc1oc(C#N)cc1C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1	ZINC000280717177	551024674	/nfs/dbraw/zinc/02/46/74/551024674.db2.gz	UOMATGLGNYTHSU-UHFFFAOYSA-N	-1	3	363.370	2.292	20	30		FEEDHM
CCCOc1ccc(/C=N/C[C@@H]2CCn3ncc(C(N)=O)c3C2)c([O-])c1	ZINC000280952209	551048914	/nfs/dbraw/zinc/04/89/14/551048914.db2.gz	JUGYGCJUKZDHDC-SRRANQMSSA-N	-1	3	356.426	2.158	20	30		FEEDHM
C#C[C@@H](NC(=O)C(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1)C(C)C	ZINC000281378136	551090032	/nfs/dbraw/zinc/09/00/32/551090032.db2.gz	ANQGGJCXNBMGDK-MRXNPFEDSA-N	-1	3	366.421	2.124	20	30		FEEDHM
CCn1c(=O)[n-]c(=O)c2c(C(=O)N(C)CC(C)(C)C#N)cc(C3CC3)nc21	ZINC000497328884	561498551	/nfs/dbraw/zinc/49/85/51/561498551.db2.gz	LHIKTEHJPYCVEC-UHFFFAOYSA-N	-1	3	369.425	2.016	20	30		FEEDHM
COc1ccccc1[C@@H]([N-]S(=O)(=O)N(C)[C@@H](C)CC#N)c1ccco1	ZINC000282337886	551213607	/nfs/dbraw/zinc/21/36/07/551213607.db2.gz	QTXYOMSLJCOSFA-SUMWQHHRSA-N	-1	3	363.439	2.446	20	30		FEEDHM
N#CC1CCC(C[N-]S(=O)(=O)c2cncc(Br)c2)CC1	ZINC000282558002	551246180	/nfs/dbraw/zinc/24/61/80/551246180.db2.gz	OBBCPCSULWCLCW-UHFFFAOYSA-N	-1	3	358.261	2.452	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CCCc2nn(C)cc21	ZINC000282795249	551271229	/nfs/dbraw/zinc/27/12/29/551271229.db2.gz	MKLKNTAKHPBBLQ-INIZCTEOSA-N	-1	3	353.426	2.136	20	30		FEEDHM
CSC[C@@](C)(C#N)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21	ZINC000285240529	551725085	/nfs/dbraw/zinc/72/50/85/551725085.db2.gz	ZLGPYVRVUJGDIS-CQSZACIVSA-N	-1	3	366.424	2.067	20	30		FEEDHM
Cc1cc(C(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)[n-]c(=O)n1	ZINC000286758286	551922798	/nfs/dbraw/zinc/92/27/98/551922798.db2.gz	SDUNPLXARLPSEN-UHFFFAOYSA-N	-1	3	356.357	2.185	20	30		FEEDHM
N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@@H]1CCCOCC1	ZINC000287706697	552036344	/nfs/dbraw/zinc/03/63/44/552036344.db2.gz	GAVPCBUOWUAFRV-SNVBAGLBSA-N	-1	3	359.245	2.168	20	30		FEEDHM
C=C[C@@](C)(CCOC)c1nc(-c2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)no1	ZINC000288968937	552245340	/nfs/dbraw/zinc/24/53/40/552245340.db2.gz	QMJFMIXCUMFDJI-RBUKOAKNSA-N	-1	3	370.409	2.271	20	30		FEEDHM
CC(C)(CO)[C@H]([N-]S(=O)(=O)c1cccnc1C#N)c1cccs1	ZINC000289792005	552379139	/nfs/dbraw/zinc/37/91/39/552379139.db2.gz	ITIOXUMYNOIDRA-CQSZACIVSA-N	-1	3	351.453	2.053	20	30		FEEDHM
C=C(C)[C@H](CC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)OCC	ZINC000291128631	552590763	/nfs/dbraw/zinc/59/07/63/552590763.db2.gz	NZTDHYIBDWLNGR-OLZOCXBDSA-N	-1	3	350.381	2.275	20	30		FEEDHM
N#Cc1ccc(O[C@H]2CCN(Cc3cc(=O)oc4cc([O-])ccc34)C2)nc1	ZINC000292272554	552711004	/nfs/dbraw/zinc/71/10/04/552711004.db2.gz	SGYZJRAXOJQEFJ-INIZCTEOSA-N	-1	3	363.373	2.419	20	30		FEEDHM
C[C@]1(c2cccc(NC(=O)[C@]3(C#N)CC34CCCC4)c2)NC(=O)[N-]C1=O	ZINC000294485346	552909850	/nfs/dbraw/zinc/90/98/50/552909850.db2.gz	MZNSJDQMCRWJCU-IEBWSBKVSA-N	-1	3	352.394	2.154	20	30		FEEDHM
N#Cc1cc(F)ccc1CS(=O)(=O)[N-]C[C@H]1COC2(CCCCC2)O1	ZINC000295217046	552970739	/nfs/dbraw/zinc/97/07/39/552970739.db2.gz	VIEZJHMLSMQJOJ-INIZCTEOSA-N	-1	3	368.430	2.193	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC(C(=O)OC(C)(C)C)C1	ZINC000295880542	553071129	/nfs/dbraw/zinc/07/11/29/553071129.db2.gz	GMAMZIKCJPSZHL-UHFFFAOYSA-N	-1	3	359.426	2.008	20	30		FEEDHM
CC1(C)C[C@]1(C#N)[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1	ZINC000295999824	553086844	/nfs/dbraw/zinc/08/68/44/553086844.db2.gz	PSUJLVCLAJBFDS-LLVKDONJSA-N	-1	3	364.652	2.468	20	30		FEEDHM
C#Cc1cccc(NC(=O)C[N-]S(=O)(=O)C[C@H]2CCCCC2(F)F)c1	ZINC000296718655	553202517	/nfs/dbraw/zinc/20/25/17/553202517.db2.gz	MSTGPQNOMWYNRB-CQSZACIVSA-N	-1	3	370.421	2.351	20	30		FEEDHM
O=C(COc1ccc(CC/N=C/c2ccc(O)c([O-])c2O)cc1)NC1CC1	ZINC000298782155	553472233	/nfs/dbraw/zinc/47/22/33/553472233.db2.gz	OHYPCJUEFWXEMA-SRZZPIQSSA-N	-1	3	370.405	2.122	20	30		FEEDHM
Cc1ncc(CO)c(/C=N/Cc2ccc(N3CCOCC3)c(F)c2)c1[O-]	ZINC000298788914	553473126	/nfs/dbraw/zinc/47/31/26/553473126.db2.gz	RINDIMPPIHAZSU-SRZZPIQSSA-N	-1	3	359.401	2.183	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1ccc(CO)c(F)c1	ZINC000299201952	553529868	/nfs/dbraw/zinc/52/98/68/553529868.db2.gz	WKJLXFAPMKSRKS-UHFFFAOYSA-N	-1	3	357.385	2.156	20	30		FEEDHM
C[C@@](CO)([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)c1ccccc1	ZINC000322479743	553768579	/nfs/dbraw/zinc/76/85/79/553768579.db2.gz	BGOBVJDVCFCQFL-INIZCTEOSA-N	-1	3	350.827	2.398	20	30		FEEDHM
COC(=O)c1c(C)nc(=O)[n-]c1S[C@@H](C)C(=O)Nc1cccc(C#N)c1	ZINC000506060695	561688955	/nfs/dbraw/zinc/68/89/55/561688955.db2.gz	VGHSBOMSFSDNEP-JTQLQIEISA-N	-1	3	372.406	2.268	20	30		FEEDHM
O=C(Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)N1C[C@H]2CCC[C@H]21	ZINC000329469847	553952715	/nfs/dbraw/zinc/95/27/15/553952715.db2.gz	YIYWWBQNFIUCIO-QMTHXVAHSA-N	-1	3	353.419	2.296	20	30		FEEDHM
O=C(Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)N1C[C@H]2CCC[C@@H]21	ZINC000329469848	553952721	/nfs/dbraw/zinc/95/27/21/553952721.db2.gz	YIYWWBQNFIUCIO-YGRLFVJLSA-N	-1	3	353.419	2.296	20	30		FEEDHM
O=C(NC1CCCCC1)NC1CCN(C(=O)c2csc(=O)[n-]2)CC1	ZINC000329908993	554028947	/nfs/dbraw/zinc/02/89/47/554028947.db2.gz	MFKDBHVTYBMNFB-UHFFFAOYSA-N	-1	3	352.460	2.290	20	30		FEEDHM
CCN(C[C@@H](C)C#N)S(=O)(=O)[N-][C@H](C)c1nc(C2CCCCC2)no1	ZINC000330383899	554114553	/nfs/dbraw/zinc/11/45/53/554114553.db2.gz	KEYIZIQJDDQNMV-QWHCGFSZSA-N	-1	3	369.491	2.494	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)N(C)[C@@H](C)CC#N)c1nc(C2CCCCC2)no1	ZINC000330410011	554117923	/nfs/dbraw/zinc/11/79/23/554117923.db2.gz	JGJUNCUXALIHDG-NWDGAFQWSA-N	-1	3	355.464	2.247	20	30		FEEDHM
N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCOC3(CCOCC3)C2)c1	ZINC000331399099	554257911	/nfs/dbraw/zinc/25/79/11/554257911.db2.gz	LHGOCIUYYVFFOA-ZDUSSCGKSA-N	-1	3	370.858	2.218	20	30		FEEDHM
C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)N=c1[n-]n(C)cc1C#N	ZINC000610562089	554529083	/nfs/dbraw/zinc/52/90/83/554529083.db2.gz	ILVGAZQZIKGDGR-HNNXBMFYSA-N	-1	3	352.442	2.420	20	30		FEEDHM
C[C@]1(c2cccc(-c3noc(CCCCCC#N)n3)c2)NC(=O)[N-]C1=O	ZINC000350096219	554759671	/nfs/dbraw/zinc/75/96/71/554759671.db2.gz	DPSMUTDUCVCRSL-GOSISDBHSA-N	-1	3	353.382	2.418	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)c1ccnn1C)c1nc(-c2ccc(C#N)cc2)cs1	ZINC000364022606	555235092	/nfs/dbraw/zinc/23/50/92/555235092.db2.gz	KZMRTFSIHLQHQN-NSHDSACASA-N	-1	3	373.463	2.455	20	30		FEEDHM
Cc1cc(S(=O)(=O)[N-]c2cc(-n3cnnn3)ccc2Cl)ccc1C#N	ZINC000364675649	555371105	/nfs/dbraw/zinc/37/11/05/555371105.db2.gz	LLLMIKFFSZVBSX-UHFFFAOYSA-N	-1	3	374.813	2.297	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)o1)[C@H]1CCN(Cc2ccccc2)C1	ZINC000370668174	556935786	/nfs/dbraw/zinc/93/57/86/556935786.db2.gz	UAVYQKYSVKFQPV-ZBFHGGJFSA-N	-1	3	359.451	2.340	20	30		FEEDHM
N#CC1(CS(=O)(=O)[N-]Cc2ncc(C(F)(F)F)cn2)CCCCC1	ZINC000516951785	562067035	/nfs/dbraw/zinc/06/70/35/562067035.db2.gz	FMEFWAFFFCNDQW-UHFFFAOYSA-N	-1	3	362.377	2.389	20	30		FEEDHM
Cc1ncc(S(=O)(=O)[N-]Cc2nc(-c3cccc(C#N)c3)c[nH]2)s1	ZINC000371980143	557345695	/nfs/dbraw/zinc/34/56/95/557345695.db2.gz	OCDZWYMNYFRMPF-UHFFFAOYSA-N	-1	3	359.436	2.192	20	30		FEEDHM
Cc1nc(C)c(CCC(=O)N2CCC[C@]3(CCCCO3)[C@H]2C#N)c(=O)[n-]1	ZINC000373369341	557680889	/nfs/dbraw/zinc/68/08/89/557680889.db2.gz	NKEFLPCYTIVRJE-VQIMIIECSA-N	-1	3	358.442	2.186	20	30		FEEDHM
N#Cc1ncn(C2CCN(Cc3cc([O-])ccc3Br)CC2)n1	ZINC000373469190	557699580	/nfs/dbraw/zinc/69/95/80/557699580.db2.gz	MXMYHPVDKVRIBN-UHFFFAOYSA-N	-1	3	362.231	2.455	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-]CCc1coc(-c2ccc(F)cc2)n1	ZINC000373775126	557756629	/nfs/dbraw/zinc/75/66/29/557756629.db2.gz	LRPUCTQQASLUOZ-UHFFFAOYSA-N	-1	3	372.381	2.268	20	30		FEEDHM
CCN(C[C@H](C)C#N)S(=O)(=O)[N-]Cc1ncc(-c2ccc(C)cc2)o1	ZINC000374417150	557881338	/nfs/dbraw/zinc/88/13/38/557881338.db2.gz	VCDSICHUOPMQIQ-CQSZACIVSA-N	-1	3	362.455	2.466	20	30		FEEDHM
Cc1ccc(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)c([O-])c1O	ZINC000374754159	557925854	/nfs/dbraw/zinc/92/58/54/557925854.db2.gz	XRUDSVXNEZNMFT-UHFFFAOYSA-N	-1	3	352.394	2.072	20	30		FEEDHM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]CC1(c2ccccn2)CCC1	ZINC000375617777	558057530	/nfs/dbraw/zinc/05/75/30/558057530.db2.gz	POJBYUVFRDCGEE-UHFFFAOYSA-N	-1	3	372.406	2.262	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]C2CCN(Cc3ccc(F)cc3)CC2)o1	ZINC000376286842	558152595	/nfs/dbraw/zinc/15/25/95/558152595.db2.gz	DNCOVCAOKBDYLB-UHFFFAOYSA-N	-1	3	363.414	2.233	20	30		FEEDHM
C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2ccc(C#N)o2)CN1Cc1ccccc1	ZINC000376318757	558157311	/nfs/dbraw/zinc/15/73/11/558157311.db2.gz	BERRJIZSPOIIHS-ZBFHGGJFSA-N	-1	3	359.451	2.340	20	30		FEEDHM
N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@H]1CCO[C@H]1C1CC1	ZINC000376388447	558166932	/nfs/dbraw/zinc/16/69/32/558166932.db2.gz	YORKQSYOQFOHPT-JSGCOSHPSA-N	-1	3	371.256	2.167	20	30		FEEDHM
C#Cc1ccc(CN2CCC[C@@H](c3n[nH]cc3[N-]S(C)(=O)=O)C2)cc1	ZINC000377710236	558402786	/nfs/dbraw/zinc/40/27/86/558402786.db2.gz	WJDSVVYZTHKBLT-MRXNPFEDSA-N	-1	3	358.467	2.142	20	30		FEEDHM
N#C[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(Br)cc2c1OCC2	ZINC000408212478	558657190	/nfs/dbraw/zinc/65/71/90/558657190.db2.gz	WVXRQVMEVHTMKC-CMPLNLGQSA-N	-1	3	371.256	2.355	20	30		FEEDHM
CCN(C[C@H](C)C#N)S(=O)(=O)[N-][C@@H](COCC(C)C)c1ccco1	ZINC000409589114	558706050	/nfs/dbraw/zinc/70/60/50/558706050.db2.gz	LKRWFDCAIWYOBJ-CABCVRRESA-N	-1	3	357.476	2.309	20	30		FEEDHM
CCN(C[C@@H](C)C#N)S(=O)(=O)[N-]CC(=O)Nc1cccc2ccccc21	ZINC000410102766	558738675	/nfs/dbraw/zinc/73/86/75/558738675.db2.gz	BRHBPRCKVHJUOY-AWEZNQCLSA-N	-1	3	374.466	2.094	20	30		FEEDHM
CC(C)c1nn([C@H]2CCS(=O)(=O)C2)cc1C([O-])=C(C#N)c1ccccn1	ZINC000525277162	562244772	/nfs/dbraw/zinc/24/47/72/562244772.db2.gz	RWNKIFYCDLTIQC-KBPBESRZSA-N	-1	3	372.450	2.251	20	30		FEEDHM
Cc1cc(N2CCN(C(=O)c3cccc([O-])c3)CC2)c(C#N)cc1[N+](=O)[O-]	ZINC000413108408	559078868	/nfs/dbraw/zinc/07/88/68/559078868.db2.gz	LWMDXKPBZOELFE-UHFFFAOYSA-N	-1	3	366.377	2.443	20	30		FEEDHM
C[C@@]1(C[N-]S(=O)(=O)c2cc(Br)ccc2C#N)CCCO1	ZINC000416421501	559311987	/nfs/dbraw/zinc/31/19/87/559311987.db2.gz	CUPRZUVQHUUHKX-ZDUSSCGKSA-N	-1	3	359.245	2.168	20	30		FEEDHM
CC(C)(C)C(=O)C[N-]S(=O)(=O)c1cc(Br)ccc1C#N	ZINC000416466920	559315246	/nfs/dbraw/zinc/31/52/46/559315246.db2.gz	SPMIYVHHIFOUAB-UHFFFAOYSA-N	-1	3	359.245	2.214	20	30		FEEDHM
C[C@@H]1CCC[C@]1(O)C[N-]S(=O)(=O)c1cc(Br)ccc1C#N	ZINC000416487437	559316855	/nfs/dbraw/zinc/31/68/55/559316855.db2.gz	JKWDYTHEXUENMM-YGRLFVJLSA-N	-1	3	373.272	2.150	20	30		FEEDHM
C[C@H](C#N)S(=O)(=O)[N-][C@H](CO)c1ccc(Cl)cc1C(F)(F)F	ZINC000416533109	559320187	/nfs/dbraw/zinc/32/01/87/559320187.db2.gz	WUXNXGCPUNAHLK-RDDDGLTNSA-N	-1	3	356.753	2.224	20	30		FEEDHM
C[C@H](C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)CC(F)(F)F	ZINC000416597091	559324201	/nfs/dbraw/zinc/32/42/01/559324201.db2.gz	FWQPJEIFGHCABN-QMMMGPOBSA-N	-1	3	351.306	2.333	20	30		FEEDHM
COC(=O)[C@@H](CNC(=O)[C@@]1(C#N)CC12CCCC2)Cc1ccc([O-])c(F)c1	ZINC000422047227	559562661	/nfs/dbraw/zinc/56/26/61/559562661.db2.gz	UXQAFGVIJGGBDP-VLIAUNLRSA-N	-1	3	374.412	2.453	20	30		FEEDHM
COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@@H]2CC[C@H](C#N)C2)c1OC	ZINC000425188725	559690151	/nfs/dbraw/zinc/69/01/51/559690151.db2.gz	JRYCKCNXEJEXBJ-GXSJLCMTSA-N	-1	3	372.830	2.106	20	30		FEEDHM
C=CCn1c(=O)[n-]nc1S(=O)(=O)[C@@H](C)c1ccc(Br)cc1	ZINC000427078746	559747256	/nfs/dbraw/zinc/74/72/56/559747256.db2.gz	GRSLZWYFSUNHGJ-VIFPVBQESA-N	-1	3	372.244	2.467	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-]CCc1ccccc1Br	ZINC000428244753	559772312	/nfs/dbraw/zinc/77/23/12/559772312.db2.gz	OWASPEQGLAXUKD-UHFFFAOYSA-N	-1	3	366.240	2.237	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-]Cc1ccc(F)cc1Br	ZINC000428255098	559772349	/nfs/dbraw/zinc/77/23/49/559772349.db2.gz	JGMBTRSITWNAPV-UHFFFAOYSA-N	-1	3	370.203	2.333	20	30		FEEDHM
C=CCOC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)C(=O)OC	ZINC000429905673	559808351	/nfs/dbraw/zinc/80/83/51/559808351.db2.gz	CWPAJEZOOXRUSY-NSHDSACASA-N	-1	3	368.238	2.016	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)s1)c1ncc(Br)cn1	ZINC000431625629	559842851	/nfs/dbraw/zinc/84/28/51/559842851.db2.gz	ZGQUTDWZYMHCDP-SSDOTTSWSA-N	-1	3	373.257	2.212	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]CCOC(F)(F)F)cc1Br	ZINC000433369382	559878951	/nfs/dbraw/zinc/87/89/51/559878951.db2.gz	WLGQNRICVORUNL-UHFFFAOYSA-N	-1	3	373.150	2.135	20	30		FEEDHM
COC(=O)[C@H](C)[C@H]([N-]S(=O)(=O)c1ccc(C#N)s1)c1ccccc1	ZINC000435436079	559923067	/nfs/dbraw/zinc/92/30/67/559923067.db2.gz	DCABYIKIWYHIKD-ABAIWWIYSA-N	-1	3	364.448	2.448	20	30		FEEDHM
C=CCn1c(=O)[n-]nc1SCC(=O)c1c[nH]c2ccc(C(=O)OC)cc21	ZINC000436053342	559934389	/nfs/dbraw/zinc/93/43/89/559934389.db2.gz	SXPQOYQMJUPWLP-UHFFFAOYSA-N	-1	3	372.406	2.413	20	30		FEEDHM
C[C@H](C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1cccc(C#N)c1	ZINC000436634422	559947331	/nfs/dbraw/zinc/94/73/31/559947331.db2.gz	KXBOURCOVYFVNX-HNNXBMFYSA-N	-1	3	363.417	2.352	20	30		FEEDHM
N#Cc1cscc1C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1	ZINC000436807592	559952687	/nfs/dbraw/zinc/95/26/87/559952687.db2.gz	JBFWBFSMXFKSRQ-UHFFFAOYSA-N	-1	3	355.419	2.360	20	30		FEEDHM
Cc1ccnc(NCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)c1C#N	ZINC000440646171	560015289	/nfs/dbraw/zinc/01/52/89/560015289.db2.gz	HGQVUNKEDGGBCP-UHFFFAOYSA-N	-1	3	368.821	2.445	20	30		FEEDHM
CCc1nc(C(C)(C)NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)no1	ZINC000441700851	560038033	/nfs/dbraw/zinc/03/80/33/560038033.db2.gz	NEXYISYNONOEQV-UHFFFAOYSA-N	-1	3	357.414	2.205	20	30		FEEDHM
CC[C@H](O)CCC[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000443233992	560075550	/nfs/dbraw/zinc/07/55/50/560075550.db2.gz	CHTFAROFAKOQNB-NSHDSACASA-N	-1	3	350.362	2.406	20	30		FEEDHM
N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CCOc1ncccc1F	ZINC000443484762	560085197	/nfs/dbraw/zinc/08/51/97/560085197.db2.gz	DQHYVMQBUHPUDI-UHFFFAOYSA-N	-1	3	355.778	2.103	20	30		FEEDHM
COC[C@](C)(C#N)NC(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O	ZINC000444300975	560108615	/nfs/dbraw/zinc/10/86/15/560108615.db2.gz	BWYBMEUTYJHFPN-HNNXBMFYSA-N	-1	3	369.299	2.085	20	30		FEEDHM
N#Cc1ccc(OCC(=O)[N-]c2nncn2C2CC2)cc1Br	ZINC000451534272	560312809	/nfs/dbraw/zinc/31/28/09/560312809.db2.gz	XOJOVLKPXOAHBV-UHFFFAOYSA-N	-1	3	362.187	2.265	20	30		FEEDHM
C=CC(C)(C)CNC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1	ZINC000455373407	560479976	/nfs/dbraw/zinc/47/99/76/560479976.db2.gz	VZDNPJWMFKIAJD-UHFFFAOYSA-N	-1	3	365.908	2.191	20	30		FEEDHM
C[C@H](C(=O)NCCCNC(=O)c1cccc([O-])c1)c1cccc(C#N)c1	ZINC000462026101	560793236	/nfs/dbraw/zinc/79/32/36/560793236.db2.gz	DTGRANKRMFNPNL-AWEZNQCLSA-N	-1	3	351.406	2.304	20	30		FEEDHM
CO[C@@H](CC[N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C(F)(F)F	ZINC000468754373	560937869	/nfs/dbraw/zinc/93/78/69/560937869.db2.gz	AEENHEGUMQPYGT-NSHDSACASA-N	-1	3	356.753	2.457	20	30		FEEDHM
CCC(C#N)(CC)c1nc(-c2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)no1	ZINC000528066713	562313111	/nfs/dbraw/zinc/31/31/11/562313111.db2.gz	KTQGTOCVHHCXFV-KRWDZBQOSA-N	-1	3	353.382	2.373	20	30		FEEDHM
C[C@@]1(C[N-]S(=O)(=O)c2ccsc2C#N)COc2ccccc2O1	ZINC000528451300	562329980	/nfs/dbraw/zinc/32/99/80/562329980.db2.gz	ISZVRLRSZFDTJS-OAHLLOKOSA-N	-1	3	350.421	2.128	20	30		FEEDHM
C[C@]1(C[N-]S(=O)(=O)c2ccc(C#N)s2)COc2ccccc2O1	ZINC000528454869	562330294	/nfs/dbraw/zinc/33/02/94/562330294.db2.gz	ZRNKIFRIDNNBIY-HNNXBMFYSA-N	-1	3	350.421	2.128	20	30		FEEDHM
C=CCN1CC[C@H](N(C)C(=O)c2cc([O-])cc(Br)c2)C1=O	ZINC000529251315	562366302	/nfs/dbraw/zinc/36/63/02/562366302.db2.gz	BJYATYIFSZVMCP-ZDUSSCGKSA-N	-1	3	353.216	2.014	20	30		FEEDHM
COc1ccc(NC(=O)C2CCN(c3oc(C)nc3C#N)CC2)c([O-])c1	ZINC000530295607	562405732	/nfs/dbraw/zinc/40/57/32/562405732.db2.gz	DIOMYLYRCINWQI-UHFFFAOYSA-N	-1	3	356.382	2.424	20	30		FEEDHM
N#C[C@H](NC(=O)CC[N-]S(=O)(=O)c1cccs1)C1CCCCC1	ZINC000530893467	562427561	/nfs/dbraw/zinc/42/75/61/562427561.db2.gz	MWXRUWXKNIBTMQ-ZDUSSCGKSA-N	-1	3	355.485	2.005	20	30		FEEDHM
C[C@]1(c2ccc(NC(=O)c3c(F)cc(C#N)cc3F)cc2)NC(=O)[N-]C1=O	ZINC000531261633	562439967	/nfs/dbraw/zinc/43/99/67/562439967.db2.gz	DFMVSMYWQRMVIU-GOSISDBHSA-N	-1	3	370.315	2.143	20	30		FEEDHM
CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H](C#N)CCC)cc1	ZINC000533090587	562498014	/nfs/dbraw/zinc/49/80/14/562498014.db2.gz	JSCSRQFBVUAHOF-AWEZNQCLSA-N	-1	3	373.500	2.199	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H]([C@@H]2CCOC2)C1	ZINC000533502899	562511052	/nfs/dbraw/zinc/51/10/52/562511052.db2.gz	LVUVBOXPURPTFX-HZPDHXFCSA-N	-1	3	357.454	2.483	20	30		FEEDHM
C=CCCOCC[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2	ZINC000535247138	562553861	/nfs/dbraw/zinc/55/38/61/562553861.db2.gz	MTGWQTQHRKHXNR-UHFFFAOYSA-N	-1	3	358.847	2.096	20	30		FEEDHM
CCCCn1cc(C[N-]S(=O)(=O)c2ccc(C#N)cc2F)c(C)n1	ZINC000536906129	562582381	/nfs/dbraw/zinc/58/23/81/562582381.db2.gz	QVICJFZCXCRFPU-UHFFFAOYSA-N	-1	3	350.419	2.481	20	30		FEEDHM
CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CCC(CC#N)CC1	ZINC000541039481	562601177	/nfs/dbraw/zinc/60/11/77/562601177.db2.gz	OQVOUJUATSJPIX-UHFFFAOYSA-N	-1	3	363.439	2.324	20	30		FEEDHM
C[C@@H]1CN(C(=O)Cc2ccc(Br)cc2[O-])C[C@@H](C)N1CC#N	ZINC000603096333	568060099	/nfs/dbraw/zinc/06/00/99/568060099.db2.gz	HKJORODGJLCGRM-VXGBXAGGSA-N	-1	3	366.259	2.142	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-][C@H]1C[C@@H]1c1ccccc1OC(F)F	ZINC000569065103	568291389	/nfs/dbraw/zinc/29/13/89/568291389.db2.gz	YYJUPUBGXLTXNK-NEPJUHHUSA-N	-1	3	365.361	2.389	20	30		FEEDHM
C[C@@H](Oc1ccc(F)c(F)c1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1	ZINC000736178432	598917944	/nfs/dbraw/zinc/91/79/44/598917944.db2.gz	XPOMESSPLVVYQH-SECBINFHSA-N	-1	3	370.319	2.423	20	30		FEEDHM
C[C@@H](Oc1ccc(F)c(F)c1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1	ZINC000736178432	598917945	/nfs/dbraw/zinc/91/79/45/598917945.db2.gz	XPOMESSPLVVYQH-SECBINFHSA-N	-1	3	370.319	2.423	20	30		FEEDHM
C[C@H](C#N)CNC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1	ZINC000735506599	598932204	/nfs/dbraw/zinc/93/22/04/598932204.db2.gz	XORKYDBDFDZIJE-CYBMUJFWSA-N	-1	3	362.393	2.335	20	30		FEEDHM
C[C@H](C#N)CNC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1	ZINC000735506599	598932205	/nfs/dbraw/zinc/93/22/05/598932205.db2.gz	XORKYDBDFDZIJE-CYBMUJFWSA-N	-1	3	362.393	2.335	20	30		FEEDHM
COCCN(C(=O)C=Cc1ccccc1C#N)c1ccc(-c2nnn[n-]2)cc1	ZINC000736987357	599114486	/nfs/dbraw/zinc/11/44/86/599114486.db2.gz	CRWSIRCSKLQPRI-DHZHZOJOSA-N	-1	3	374.404	2.431	20	30		FEEDHM
COCCN(C(=O)C=Cc1ccccc1C#N)c1ccc(-c2nn[n-]n2)cc1	ZINC000736987357	599114489	/nfs/dbraw/zinc/11/44/89/599114489.db2.gz	CRWSIRCSKLQPRI-DHZHZOJOSA-N	-1	3	374.404	2.431	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2cc3c(s2)CCOC3)cc1-c1nnn[n-]1	ZINC000737718615	599196279	/nfs/dbraw/zinc/19/62/79/599196279.db2.gz	KYCAYARETQPCTK-UHFFFAOYSA-N	-1	3	352.379	2.125	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2cc3c(s2)CCOC3)cc1-c1nn[n-]n1	ZINC000737718615	599196281	/nfs/dbraw/zinc/19/62/81/599196281.db2.gz	KYCAYARETQPCTK-UHFFFAOYSA-N	-1	3	352.379	2.125	20	30		FEEDHM
C=CC[C@@H](C)NC(=O)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1	ZINC000735409368	599213712	/nfs/dbraw/zinc/21/37/12/599213712.db2.gz	DKQVFUAVNLNYSR-CQSZACIVSA-N	-1	3	355.446	2.053	20	30		FEEDHM
C=CC[C@@H](C)NC(=O)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1	ZINC000735409368	599213714	/nfs/dbraw/zinc/21/37/14/599213714.db2.gz	DKQVFUAVNLNYSR-CQSZACIVSA-N	-1	3	355.446	2.053	20	30		FEEDHM
C[C@@H](NC(=O)NCc1ccc(C#N)cc1F)c1ccc(-c2nnn[n-]2)cc1	ZINC000736119894	598318711	/nfs/dbraw/zinc/31/87/11/598318711.db2.gz	WMSSMBJBAIFETR-LLVKDONJSA-N	-1	3	365.372	2.438	20	30		FEEDHM
C[C@@H](NC(=O)NCc1ccc(C#N)cc1F)c1ccc(-c2nn[n-]n2)cc1	ZINC000736119894	598318713	/nfs/dbraw/zinc/31/87/13/598318713.db2.gz	WMSSMBJBAIFETR-LLVKDONJSA-N	-1	3	365.372	2.438	20	30		FEEDHM
N#Cc1cccc(NC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)c1	ZINC000737730203	598574794	/nfs/dbraw/zinc/57/47/94/598574794.db2.gz	HIKQVYMMILSBJK-QGZVFWFLSA-N	-1	3	359.393	2.346	20	30		FEEDHM
N#Cc1cccc(NC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)c1	ZINC000737730200	598575028	/nfs/dbraw/zinc/57/50/28/598575028.db2.gz	HIKQVYMMILSBJK-KRWDZBQOSA-N	-1	3	359.393	2.346	20	30		FEEDHM
Cc1cnn(CCCCCSc2nc(N)c(-c3nnn[n-]3)cc2C#N)c1	ZINC000737449746	598641142	/nfs/dbraw/zinc/64/11/42/598641142.db2.gz	YXTPKDDRHIFSED-UHFFFAOYSA-N	-1	3	369.458	2.183	20	30		FEEDHM
Cc1cnn(CCCCCSc2nc(N)c(-c3nn[n-]n3)cc2C#N)c1	ZINC000737449746	598641143	/nfs/dbraw/zinc/64/11/43/598641143.db2.gz	YXTPKDDRHIFSED-UHFFFAOYSA-N	-1	3	369.458	2.183	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc2nccn2c1	ZINC000735420719	598656109	/nfs/dbraw/zinc/65/61/09/598656109.db2.gz	RAIJXGAMNZMCFD-UHFFFAOYSA-N	-1	3	359.393	2.343	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc2nccn2c1	ZINC000735420719	598656112	/nfs/dbraw/zinc/65/61/12/598656112.db2.gz	RAIJXGAMNZMCFD-UHFFFAOYSA-N	-1	3	359.393	2.343	20	30		FEEDHM
CCN(CCC#N)C(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1	ZINC000736534237	598701503	/nfs/dbraw/zinc/70/15/03/598701503.db2.gz	IXGLNBAOCCBQCX-UHFFFAOYSA-N	-1	3	366.381	2.414	20	30		FEEDHM
CCN(CCC#N)C(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1	ZINC000736534237	598701504	/nfs/dbraw/zinc/70/15/04/598701504.db2.gz	IXGLNBAOCCBQCX-UHFFFAOYSA-N	-1	3	366.381	2.414	20	30		FEEDHM
N#CCCCCNC(=O)NCCSCc1ccccc1-c1nnn[n-]1	ZINC000737688343	598771719	/nfs/dbraw/zinc/77/17/19/598771719.db2.gz	ROTCUUYKUHVSJS-UHFFFAOYSA-N	-1	3	359.459	2.093	20	30		FEEDHM
N#CCCCCNC(=O)NCCSCc1ccccc1-c1nn[n-]n1	ZINC000737688343	598771720	/nfs/dbraw/zinc/77/17/20/598771720.db2.gz	ROTCUUYKUHVSJS-UHFFFAOYSA-N	-1	3	359.459	2.093	20	30		FEEDHM
C=CCOCC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1	ZINC000735437499	598817125	/nfs/dbraw/zinc/81/71/25/598817125.db2.gz	KMMQPCXBBNDEEW-UHFFFAOYSA-N	-1	3	352.354	2.195	20	30		FEEDHM
C=CCOCC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1	ZINC000735437499	598817126	/nfs/dbraw/zinc/81/71/26/598817126.db2.gz	KMMQPCXBBNDEEW-UHFFFAOYSA-N	-1	3	352.354	2.195	20	30		FEEDHM
N#Cc1ccccc1SCC(=O)NCc1cccc(-c2nnn[n-]2)c1	ZINC000822842775	599350818	/nfs/dbraw/zinc/35/08/18/599350818.db2.gz	YDLZRADBCKSZPU-UHFFFAOYSA-N	-1	3	350.407	2.147	20	30		FEEDHM
N#Cc1ccccc1SCC(=O)NCc1cccc(-c2nn[n-]n2)c1	ZINC000822842775	599350819	/nfs/dbraw/zinc/35/08/19/599350819.db2.gz	YDLZRADBCKSZPU-UHFFFAOYSA-N	-1	3	350.407	2.147	20	30		FEEDHM
C[C@H](Nc1ncnc2c1cnn2CCC#N)c1cccc(-c2nnn[n-]2)c1	ZINC000820461656	599354909	/nfs/dbraw/zinc/35/49/09/599354909.db2.gz	OZQHLIMXFZTAPX-NSHDSACASA-N	-1	3	360.385	2.093	20	30		FEEDHM
C[C@H](Nc1ncnc2c1cnn2CCC#N)c1cccc(-c2nn[n-]n2)c1	ZINC000820461656	599354914	/nfs/dbraw/zinc/35/49/14/599354914.db2.gz	OZQHLIMXFZTAPX-NSHDSACASA-N	-1	3	360.385	2.093	20	30		FEEDHM
CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1cc(C#N)ccc1F	ZINC000821608870	599458890	/nfs/dbraw/zinc/45/88/90/599458890.db2.gz	YEAZKWDJKLYCPF-UHFFFAOYSA-N	-1	3	365.372	2.219	20	30		FEEDHM
CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1cc(C#N)ccc1F	ZINC000821608870	599458892	/nfs/dbraw/zinc/45/88/92/599458892.db2.gz	YEAZKWDJKLYCPF-UHFFFAOYSA-N	-1	3	365.372	2.219	20	30		FEEDHM
N#CCOc1ccc(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)cc1	ZINC000737695086	599462023	/nfs/dbraw/zinc/46/20/23/599462023.db2.gz	JRVVRFBMRZYVCA-QPJJXVBHSA-N	-1	3	371.360	2.313	20	30		FEEDHM
N#CCOc1ccc(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)cc1	ZINC000737695086	599462025	/nfs/dbraw/zinc/46/20/25/599462025.db2.gz	JRVVRFBMRZYVCA-QPJJXVBHSA-N	-1	3	371.360	2.313	20	30		FEEDHM
N#Cc1ccc(F)c(CNC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)c1	ZINC000822825214	599464452	/nfs/dbraw/zinc/46/44/52/599464452.db2.gz	ACBVNAKQNVIYGX-UHFFFAOYSA-N	-1	3	369.335	2.016	20	30		FEEDHM
N#Cc1ccc(F)c(CNC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)c1	ZINC000822825214	599464454	/nfs/dbraw/zinc/46/44/54/599464454.db2.gz	ACBVNAKQNVIYGX-UHFFFAOYSA-N	-1	3	369.335	2.016	20	30		FEEDHM
N#Cc1cc(F)ccc1NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1	ZINC000822823077	599522483	/nfs/dbraw/zinc/52/24/83/599522483.db2.gz	KADYQRCSWVXVDF-UHFFFAOYSA-N	-1	3	364.388	2.353	20	30		FEEDHM
N#Cc1cc(F)ccc1NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1	ZINC000822823077	599522486	/nfs/dbraw/zinc/52/24/86/599522486.db2.gz	KADYQRCSWVXVDF-UHFFFAOYSA-N	-1	3	364.388	2.353	20	30		FEEDHM
COCCN(C(=O)c1ccc(-c2nnn[n-]2)cc1C)c1ccc(C#N)cc1	ZINC000826157438	607431769	/nfs/dbraw/zinc/43/17/69/607431769.db2.gz	VPFBNMOHYXDNAG-UHFFFAOYSA-N	-1	3	362.393	2.340	20	30		FEEDHM
COCCN(C(=O)c1ccc(-c2nn[n-]n2)cc1C)c1ccc(C#N)cc1	ZINC000826157438	607431770	/nfs/dbraw/zinc/43/17/70/607431770.db2.gz	VPFBNMOHYXDNAG-UHFFFAOYSA-N	-1	3	362.393	2.340	20	30		FEEDHM
N#Cc1cccc(C2(NC(=O)NCc3ccc(-c4nnn[n-]4)cc3)CC2)c1	ZINC000826386723	607448719	/nfs/dbraw/zinc/44/87/19/607448719.db2.gz	QIPUKMUIPFSALY-UHFFFAOYSA-N	-1	3	359.393	2.227	20	30		FEEDHM
N#Cc1cccc(C2(NC(=O)NCc3ccc(-c4nn[n-]n4)cc3)CC2)c1	ZINC000826386723	607448721	/nfs/dbraw/zinc/44/87/21/607448721.db2.gz	QIPUKMUIPFSALY-UHFFFAOYSA-N	-1	3	359.393	2.227	20	30		FEEDHM
O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1ccc2[nH]c(=O)[nH]c2c1	ZINC000822923566	607459086	/nfs/dbraw/zinc/45/90/86/607459086.db2.gz	SWYOBHNARCDAQI-XQRVVYSFSA-N	-1	3	350.313	2.484	20	30		FEEDHM
O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1ccc2[nH]c(=O)[nH]c2c1	ZINC000822923566	607459088	/nfs/dbraw/zinc/45/90/88/607459088.db2.gz	SWYOBHNARCDAQI-XQRVVYSFSA-N	-1	3	350.313	2.484	20	30		FEEDHM
N#Cc1cccc([C@@H](NCc2ccccc2CN2CCOCC2)C(=O)[O-])c1	ZINC000833076152	601298941	/nfs/dbraw/zinc/29/89/41/601298941.db2.gz	QTHGYQKXASDGPZ-HXUWFJFHSA-N	-1	3	365.433	2.306	20	30		FEEDHM
COCc1cccc(CSc2nc(N)c(C#N)cc2-c2nnn[n-]2)c1	ZINC000826164735	607531082	/nfs/dbraw/zinc/53/10/82/607531082.db2.gz	NVOAMOMGJJRUQW-UHFFFAOYSA-N	-1	3	353.411	2.154	20	30		FEEDHM
COCc1cccc(CSc2nc(N)c(C#N)cc2-c2nn[n-]n2)c1	ZINC000826164735	607531083	/nfs/dbraw/zinc/53/10/83/607531083.db2.gz	NVOAMOMGJJRUQW-UHFFFAOYSA-N	-1	3	353.411	2.154	20	30		FEEDHM
COCc1nc(C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)cs1	ZINC000558483222	674499366	/nfs/dbraw/zinc/49/93/66/674499366.db2.gz	FSOFEAQINKUMMB-UHFFFAOYSA-N	-1	3	357.844	2.293	20	30		FEEDHM
C[C@H]1CCCC[C@@]1(CNC(=O)[O-])NCC(=O)Nc1sccc1C#N	ZINC000739098158	602433173	/nfs/dbraw/zinc/43/31/73/602433173.db2.gz	HSLPFOLICXAFKX-ZBEGNZNMSA-N	-1	3	350.444	2.364	20	30		FEEDHM
C=C(C)CN1CCC(NC(=O)N2CCC[C@@H](CN(C)C(=O)[O-])C2)CC1	ZINC000738486006	602680239	/nfs/dbraw/zinc/68/02/39/602680239.db2.gz	YOTGGWYBFNVMPJ-HNNXBMFYSA-N	-1	3	352.479	2.058	20	30		FEEDHM
C=CCN1CCC(NC(=O)N2CCC([C@@H]3CCCN3C(=O)[O-])CC2)CC1	ZINC000738491142	602715485	/nfs/dbraw/zinc/71/54/85/602715485.db2.gz	GNECNOBROQTZOT-KRWDZBQOSA-N	-1	3	364.490	2.201	20	30		FEEDHM
C[C@@H]1CN(CC(=O)C(C#N)c2nc3ccccc3s2)CC[C@H]1NC(=O)[O-]	ZINC000739179505	602773110	/nfs/dbraw/zinc/77/31/10/602773110.db2.gz	WICYQYAFCNKFBU-FRRDWIJNSA-N	-1	3	372.450	2.451	20	30		FEEDHM
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCC[C@H](NC(=O)[O-])C1	ZINC000739606449	603170193	/nfs/dbraw/zinc/17/01/93/603170193.db2.gz	UAJKIHADDQRONJ-MSOLQXFVSA-N	-1	3	372.469	2.275	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cnc(CC)nc1	ZINC000823909809	607619452	/nfs/dbraw/zinc/61/94/52/607619452.db2.gz	RGPSYRSRFHUDRB-UHFFFAOYSA-N	-1	3	364.413	2.439	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cnc(CC)nc1	ZINC000823909809	607619453	/nfs/dbraw/zinc/61/94/53/607619453.db2.gz	RGPSYRSRFHUDRB-UHFFFAOYSA-N	-1	3	364.413	2.439	20	30		FEEDHM
C[C@H]1CN(CC(=O)C(C#N)c2nc3ccccc3s2)CCN1C(=O)[O-]	ZINC000739175242	603361630	/nfs/dbraw/zinc/36/16/30/603361630.db2.gz	KCIRFMRUMISDLH-NWDGAFQWSA-N	-1	3	358.423	2.157	20	30		FEEDHM
C=CCN1CCC(NC(=O)NCc2ccc([C@@H](C)NC(=O)[O-])cc2)CC1	ZINC000823507340	604433130	/nfs/dbraw/zinc/43/31/30/604433130.db2.gz	VPKHKEPZIGQJNH-CQSZACIVSA-N	-1	3	360.458	2.465	20	30		FEEDHM
C#CCN1CCC(C(=O)N[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)CC1	ZINC000833364858	604872782	/nfs/dbraw/zinc/87/27/82/604872782.db2.gz	SVIPOMAVKPESRE-HNNXBMFYSA-N	-1	3	352.793	2.066	20	30		FEEDHM
CCOC(=O)Nc1ccc(NC(=O)N(C)[C@H](C)CC#N)cc1-c1nnn[n-]1	ZINC000825530340	607766134	/nfs/dbraw/zinc/76/61/34/607766134.db2.gz	CRCPQAWSFXOOCT-SNVBAGLBSA-N	-1	3	372.389	2.201	20	30		FEEDHM
CCOC(=O)Nc1ccc(NC(=O)N(C)[C@H](C)CC#N)cc1-c1nn[n-]n1	ZINC000825530340	607766135	/nfs/dbraw/zinc/76/61/35/607766135.db2.gz	CRCPQAWSFXOOCT-SNVBAGLBSA-N	-1	3	372.389	2.201	20	30		FEEDHM
C#CCN(CC)[C@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2	ZINC000819698397	606075230	/nfs/dbraw/zinc/07/52/30/606075230.db2.gz	YLKULVOYLSVWDR-GFCCVEGCSA-N	-1	3	372.498	2.479	20	30		FEEDHM
C#CCN(CC)[C@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2	ZINC000819698397	606075235	/nfs/dbraw/zinc/07/52/35/606075235.db2.gz	YLKULVOYLSVWDR-GFCCVEGCSA-N	-1	3	372.498	2.479	20	30		FEEDHM
N#C[C@H](OC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1)C1CC1	ZINC000822800985	606169581	/nfs/dbraw/zinc/16/95/81/606169581.db2.gz	CTSSXJVPZIYEKN-INIZCTEOSA-N	-1	3	365.349	2.498	20	30		FEEDHM
Cc1ccc(-c2nnn[n-]2)cc1N[C@@H]1CCN(c2ccc(C#N)cc2)C1=O	ZINC000822220226	606248173	/nfs/dbraw/zinc/24/81/73/606248173.db2.gz	IZLPSGOBGWHLEZ-MRXNPFEDSA-N	-1	3	359.393	2.264	20	30		FEEDHM
Cc1ccc(-c2nn[n-]n2)cc1N[C@@H]1CCN(c2ccc(C#N)cc2)C1=O	ZINC000822220226	606248175	/nfs/dbraw/zinc/24/81/75/606248175.db2.gz	IZLPSGOBGWHLEZ-MRXNPFEDSA-N	-1	3	359.393	2.264	20	30		FEEDHM
N#Cc1ccccc1SCCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1	ZINC000822842551	606330442	/nfs/dbraw/zinc/33/04/42/606330442.db2.gz	NPWZVEKIPOAVAM-UHFFFAOYSA-N	-1	3	371.447	2.304	20	30		FEEDHM
N#Cc1ccccc1SCCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1	ZINC000822842551	606330443	/nfs/dbraw/zinc/33/04/43/606330443.db2.gz	NPWZVEKIPOAVAM-UHFFFAOYSA-N	-1	3	371.447	2.304	20	30		FEEDHM
Cc1nc(-c2nn[n-]n2)c(N=NC(C)c2ccc(-n3ccnc3C)cc2)o1	ZINC000819782943	606338994	/nfs/dbraw/zinc/33/89/94/606338994.db2.gz	RJOTXKCNNMCSSN-UHFFFAOYSA-N	-1	3	363.385	2.493	20	30		FEEDHM
Fc1ccc(CNC(=S)NN=Cc2ccc(-c3nnn[n-]3)s2)cc1	ZINC000822772452	606369158	/nfs/dbraw/zinc/36/91/58/606369158.db2.gz	ZNKGQSWUWTXEFJ-UHFFFAOYSA-N	-1	3	361.431	2.066	20	30		FEEDHM
CC(C)(C)[C@@H](C#N)NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1	ZINC000819898872	606641054	/nfs/dbraw/zinc/64/10/54/606641054.db2.gz	JTSOINXLIXUNAI-OAHLLOKOSA-N	-1	3	356.430	2.470	20	30		FEEDHM
CC(C)(C)[C@@H](C#N)NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1	ZINC000819898872	606641055	/nfs/dbraw/zinc/64/10/55/606641055.db2.gz	JTSOINXLIXUNAI-OAHLLOKOSA-N	-1	3	356.430	2.470	20	30		FEEDHM
N#Cc1ccc(Cl)cc1OCC(=O)Nc1cccc(-c2nnn[n-]2)c1	ZINC000822825684	606781731	/nfs/dbraw/zinc/78/17/31/606781731.db2.gz	LIEPXDOREUZMTJ-UHFFFAOYSA-N	-1	3	354.757	2.409	20	30		FEEDHM
N#Cc1ccc(Cl)cc1OCC(=O)Nc1cccc(-c2nn[n-]n2)c1	ZINC000822825684	606781733	/nfs/dbraw/zinc/78/17/33/606781733.db2.gz	LIEPXDOREUZMTJ-UHFFFAOYSA-N	-1	3	354.757	2.409	20	30		FEEDHM
N#Cc1cccc(CNC(=O)COc2cc(Cl)ccc2-c2nnn[n-]2)c1	ZINC000822837214	606784097	/nfs/dbraw/zinc/78/40/97/606784097.db2.gz	JQGLSEKUNQRFCS-UHFFFAOYSA-N	-1	3	368.784	2.087	20	30		FEEDHM
N#Cc1cccc(CNC(=O)COc2cc(Cl)ccc2-c2nn[n-]n2)c1	ZINC000822837214	606784101	/nfs/dbraw/zinc/78/41/01/606784101.db2.gz	JQGLSEKUNQRFCS-UHFFFAOYSA-N	-1	3	368.784	2.087	20	30		FEEDHM
C=CCn1c(SC[C@H](O)c2ccc(-c3nnn[n-]3)cc2)nnc1C1CC1	ZINC000819765038	606847240	/nfs/dbraw/zinc/84/72/40/606847240.db2.gz	MLQLEWONWUVUNE-AWEZNQCLSA-N	-1	3	369.454	2.347	20	30		FEEDHM
C=CCn1c(SC[C@H](O)c2ccc(-c3nn[n-]n3)cc2)nnc1C1CC1	ZINC000819765038	606847241	/nfs/dbraw/zinc/84/72/41/606847241.db2.gz	MLQLEWONWUVUNE-AWEZNQCLSA-N	-1	3	369.454	2.347	20	30		FEEDHM
C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCc1ccc(F)c(C#N)c1	ZINC000820533954	606991556	/nfs/dbraw/zinc/99/15/56/606991556.db2.gz	IFMMGBOSDKRPOY-NSHDSACASA-N	-1	3	367.340	2.388	20	30		FEEDHM
Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1Cc1ccc(F)c(C#N)c1	ZINC000822505238	607010390	/nfs/dbraw/zinc/01/03/90/607010390.db2.gz	DMYAYGMLVGTMEL-UHFFFAOYSA-N	-1	3	360.356	2.493	20	30		FEEDHM
Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1Cc1ccc(F)c(C#N)c1	ZINC000822505238	607010391	/nfs/dbraw/zinc/01/03/91/607010391.db2.gz	DMYAYGMLVGTMEL-UHFFFAOYSA-N	-1	3	360.356	2.493	20	30		FEEDHM
C=CCn1c(Sc2ccc(-c3nnn[n-]3)cn2)nnc1-c1ccccn1	ZINC000819763721	607035908	/nfs/dbraw/zinc/03/59/08/607035908.db2.gz	BJCMFRNXWVRIPY-UHFFFAOYSA-N	-1	3	363.410	2.252	20	30		FEEDHM
C=CCn1c(Sc2ccc(-c3nn[n-]n3)cn2)nnc1-c1ccccn1	ZINC000819763721	607035909	/nfs/dbraw/zinc/03/59/09/607035909.db2.gz	BJCMFRNXWVRIPY-UHFFFAOYSA-N	-1	3	363.410	2.252	20	30		FEEDHM
COc1ccc(-c2nnn[n-]2)cc1NC(=O)N(CCC#N)Cc1ccco1	ZINC000821762843	607194305	/nfs/dbraw/zinc/19/43/05/607194305.db2.gz	QJIIGLYQMYNVGE-UHFFFAOYSA-N	-1	3	367.369	2.416	20	30		FEEDHM
COc1ccc(-c2nn[n-]n2)cc1NC(=O)N(CCC#N)Cc1ccco1	ZINC000821762843	607194306	/nfs/dbraw/zinc/19/43/06/607194306.db2.gz	QJIIGLYQMYNVGE-UHFFFAOYSA-N	-1	3	367.369	2.416	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCCc1cscn1	ZINC000819745543	607215576	/nfs/dbraw/zinc/21/55/76/607215576.db2.gz	IMRYHNGYBIESSM-UHFFFAOYSA-N	-1	3	369.454	2.264	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCCc1cscn1	ZINC000819745543	607215577	/nfs/dbraw/zinc/21/55/77/607215577.db2.gz	IMRYHNGYBIESSM-UHFFFAOYSA-N	-1	3	369.454	2.264	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCc1ncccc1F	ZINC000823910109	607782164	/nfs/dbraw/zinc/78/21/64/607782164.db2.gz	XLAXQWHTWWTWEO-UHFFFAOYSA-N	-1	3	367.388	2.299	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCc1ncccc1F	ZINC000823910109	607782165	/nfs/dbraw/zinc/78/21/65/607782165.db2.gz	XLAXQWHTWWTWEO-UHFFFAOYSA-N	-1	3	367.388	2.299	20	30		FEEDHM
C#CCOCCC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1	ZINC000823856162	607881586	/nfs/dbraw/zinc/88/15/86/607881586.db2.gz	LIBVEDXHMKGBCN-UHFFFAOYSA-N	-1	3	364.365	2.032	20	30		FEEDHM
C#CCOCCC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1	ZINC000823856162	607881587	/nfs/dbraw/zinc/88/15/87/607881587.db2.gz	LIBVEDXHMKGBCN-UHFFFAOYSA-N	-1	3	364.365	2.032	20	30		FEEDHM
Cc1nn(C)cc1C=CC(=O)c1cnn(-c2ccc(-c3nn[n-]n3)cc2)c1C	ZINC000826334418	607884762	/nfs/dbraw/zinc/88/47/62/607884762.db2.gz	UHWDANITOQXNSV-TWGQIWQCSA-N	-1	3	374.408	2.299	20	30		FEEDHM
N#Cc1cc(NC(=O)c2csc([C@H]3CCCO3)n2)ccc1-c1nnn[n-]1	ZINC000826384203	607927591	/nfs/dbraw/zinc/92/75/91/607927591.db2.gz	LJFDMBHMBSKADV-CYBMUJFWSA-N	-1	3	367.394	2.299	20	30		FEEDHM
N#Cc1cc(NC(=O)c2csc([C@H]3CCCO3)n2)ccc1-c1nn[n-]n1	ZINC000826384203	607927592	/nfs/dbraw/zinc/92/75/92/607927592.db2.gz	LJFDMBHMBSKADV-CYBMUJFWSA-N	-1	3	367.394	2.299	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2csc([C@H]3CCCO3)n2)cc1-c1nnn[n-]1	ZINC000826385604	607927753	/nfs/dbraw/zinc/92/77/53/607927753.db2.gz	SXAGZPCGIFNUEH-CYBMUJFWSA-N	-1	3	367.394	2.299	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2csc([C@H]3CCCO3)n2)cc1-c1nn[n-]n1	ZINC000826385604	607927754	/nfs/dbraw/zinc/92/77/54/607927754.db2.gz	SXAGZPCGIFNUEH-CYBMUJFWSA-N	-1	3	367.394	2.299	20	30		FEEDHM
C#CC[C@H](NS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccccc1	ZINC000823838286	607937771	/nfs/dbraw/zinc/93/77/71/607937771.db2.gz	NVDUYHXACHAKAQ-KRWDZBQOSA-N	-1	3	367.434	2.051	20	30		FEEDHM
C#CC[C@H](NS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccccc1	ZINC000823838286	607937772	/nfs/dbraw/zinc/93/77/72/607937772.db2.gz	NVDUYHXACHAKAQ-KRWDZBQOSA-N	-1	3	367.434	2.051	20	30		FEEDHM
C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCc2ccc(C#N)cc21	ZINC000824731743	607951515	/nfs/dbraw/zinc/95/15/15/607951515.db2.gz	YAUHLAOJAYKYLI-LBPRGKRZSA-N	-1	3	360.377	2.095	20	30		FEEDHM
COc1ccc(CON=C(C)Cn2nc(C)cc2C)cc1-c1nnn[n-]1	ZINC000826206626	607972708	/nfs/dbraw/zinc/97/27/08/607972708.db2.gz	FAZHGVZNHOGCGN-UHFFFAOYSA-N	-1	3	355.402	2.281	20	30		FEEDHM
COc1ccc(CON=C(C)Cn2nc(C)cc2C)cc1-c1nn[n-]n1	ZINC000826206626	607972709	/nfs/dbraw/zinc/97/27/09/607972709.db2.gz	FAZHGVZNHOGCGN-UHFFFAOYSA-N	-1	3	355.402	2.281	20	30		FEEDHM
N#Cc1cc(NC(=O)C=Cc2ccc(Cl)nc2)ccc1-c1nnn[n-]1	ZINC000826384215	608005060	/nfs/dbraw/zinc/00/50/60/608005060.db2.gz	LTGNZTROGKDRSW-QHHAFSJGSA-N	-1	3	351.757	2.439	20	30		FEEDHM
N#Cc1cc(NC(=O)C=Cc2ccc(Cl)nc2)ccc1-c1nn[n-]n1	ZINC000826384215	608005061	/nfs/dbraw/zinc/00/50/61/608005061.db2.gz	LTGNZTROGKDRSW-QHHAFSJGSA-N	-1	3	351.757	2.439	20	30		FEEDHM
COCCN(C(=O)c1ccc(CC#N)cc1)c1ccc(-c2nnn[n-]2)cc1	ZINC000826157481	608005655	/nfs/dbraw/zinc/00/56/55/608005655.db2.gz	XKTOCVKOWZUVKW-UHFFFAOYSA-N	-1	3	362.393	2.226	20	30		FEEDHM
COCCN(C(=O)c1ccc(CC#N)cc1)c1ccc(-c2nn[n-]n2)cc1	ZINC000826157481	608005656	/nfs/dbraw/zinc/00/56/56/608005656.db2.gz	XKTOCVKOWZUVKW-UHFFFAOYSA-N	-1	3	362.393	2.226	20	30		FEEDHM
N#CCOc1cccc(CC(=O)Oc2ccc(-c3nnn[n-]3)cc2F)c1	ZINC000826381833	608030166	/nfs/dbraw/zinc/03/01/66/608030166.db2.gz	ATZMGJDFBIJIEB-UHFFFAOYSA-N	-1	3	353.313	2.056	20	30		FEEDHM
N#CCOc1cccc(CC(=O)Oc2ccc(-c3nn[n-]n3)cc2F)c1	ZINC000826381833	608030167	/nfs/dbraw/zinc/03/01/67/608030167.db2.gz	ATZMGJDFBIJIEB-UHFFFAOYSA-N	-1	3	353.313	2.056	20	30		FEEDHM
N#Cc1cnc(N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)c(Cl)c1	ZINC000826387634	608053583	/nfs/dbraw/zinc/05/35/83/608053583.db2.gz	HQJRQHOZMYCZPA-OAHLLOKOSA-N	-1	3	367.800	2.365	20	30		FEEDHM
N#Cc1cnc(N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)c(Cl)c1	ZINC000826387634	608053584	/nfs/dbraw/zinc/05/35/84/608053584.db2.gz	HQJRQHOZMYCZPA-OAHLLOKOSA-N	-1	3	367.800	2.365	20	30		FEEDHM
CC(=NNC(=S)NCc1ccccc1)c1ccc(-c2nnn[n-]2)s1	ZINC000823953605	608091614	/nfs/dbraw/zinc/09/16/14/608091614.db2.gz	IRYCWLLGGXFWPE-UHFFFAOYSA-N	-1	3	357.468	2.317	20	30		FEEDHM
COCCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc(C#N)cs1	ZINC000826161304	608137141	/nfs/dbraw/zinc/13/71/41/608137141.db2.gz	AZTGRAPFASNWMD-UHFFFAOYSA-N	-1	3	370.394	2.077	20	30		FEEDHM
COCCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(C#N)cs1	ZINC000826161304	608137142	/nfs/dbraw/zinc/13/71/42/608137142.db2.gz	AZTGRAPFASNWMD-UHFFFAOYSA-N	-1	3	370.394	2.077	20	30		FEEDHM
COCCn1nc(C)c(C(=O)C=Cc2cccc(-c3nnn[n-]3)c2)c1C	ZINC000826163990	608228802	/nfs/dbraw/zinc/22/88/02/608228802.db2.gz	UNKUBQUOIGOION-BQYQJAHWSA-N	-1	3	352.398	2.223	20	30		FEEDHM
COCCn1nc(C)c(C(=O)C=Cc2cccc(-c3nn[n-]n3)c2)c1C	ZINC000826163990	608228803	/nfs/dbraw/zinc/22/88/03/608228803.db2.gz	UNKUBQUOIGOION-BQYQJAHWSA-N	-1	3	352.398	2.223	20	30		FEEDHM
C=CCN(C1CC1)S(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1	ZINC000823903468	608248911	/nfs/dbraw/zinc/24/89/11/608248911.db2.gz	BHDGZPZPYZYDQN-UHFFFAOYSA-N	-1	3	373.360	2.225	20	30		FEEDHM
C=CCN(C1CC1)S(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1	ZINC000823903468	608248912	/nfs/dbraw/zinc/24/89/12/608248912.db2.gz	BHDGZPZPYZYDQN-UHFFFAOYSA-N	-1	3	373.360	2.225	20	30		FEEDHM
C#C[C@H](Cc1ccccc1)OC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1	ZINC000823838350	608332213	/nfs/dbraw/zinc/33/22/13/608332213.db2.gz	ONBDSOMSPLPDNN-RHSMWYFYSA-N	-1	3	362.389	2.422	20	30		FEEDHM
C#C[C@H](Cc1ccccc1)OC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1	ZINC000823838351	608332239	/nfs/dbraw/zinc/33/22/39/608332239.db2.gz	ONBDSOMSPLPDNN-WMLDXEAASA-N	-1	3	362.389	2.422	20	30		FEEDHM
Cc1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)c(-c2nnn[n-]2)c1C	ZINC000826335998	608441882	/nfs/dbraw/zinc/44/18/82/608441882.db2.gz	JEWUNEIXZXPGCL-UHFFFAOYSA-N	-1	3	358.409	2.439	20	30		FEEDHM
Cc1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)c(-c2nn[n-]n2)c1C	ZINC000826335998	608441883	/nfs/dbraw/zinc/44/18/83/608441883.db2.gz	JEWUNEIXZXPGCL-UHFFFAOYSA-N	-1	3	358.409	2.439	20	30		FEEDHM
C=CCOc1cccnc1C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1	ZINC000823932166	608538863	/nfs/dbraw/zinc/53/88/63/608538863.db2.gz	RFAPUOCJRDLXRZ-GFCCVEGCSA-N	-1	3	350.382	2.318	20	30		FEEDHM
C=CCOc1cccnc1C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1	ZINC000823932166	608538864	/nfs/dbraw/zinc/53/88/64/608538864.db2.gz	RFAPUOCJRDLXRZ-GFCCVEGCSA-N	-1	3	350.382	2.318	20	30		FEEDHM
Cc1nc2sccn2c1C=NNc1cc(-c2nn[n-]n2)cc(Cl)n1	ZINC000826329574	608542940	/nfs/dbraw/zinc/54/29/40/608542940.db2.gz	JETLCQGJOHKRFC-UHFFFAOYSA-N	-1	3	359.806	2.379	20	30		FEEDHM
N#CCc1cccc(C(=O)Nc2nc3c(cc2-c2nnn[n-]2)CCCC3)c1	ZINC000826382529	608570944	/nfs/dbraw/zinc/57/09/44/608570944.db2.gz	IHBOJTNXJIQAIV-UHFFFAOYSA-N	-1	3	359.393	2.459	20	30		FEEDHM
N#CCc1cccc(C(=O)Nc2nc3c(cc2-c2nn[n-]n2)CCCC3)c1	ZINC000826382529	608570945	/nfs/dbraw/zinc/57/09/45/608570945.db2.gz	IHBOJTNXJIQAIV-UHFFFAOYSA-N	-1	3	359.393	2.459	20	30		FEEDHM
C[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCC(C)(C#N)CC1	ZINC000824045626	609141948	/nfs/dbraw/zinc/14/19/48/609141948.db2.gz	NPFWIWNYHYTGCB-LLVKDONJSA-N	-1	3	373.848	2.473	20	30		FEEDHM
C[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCC(C)(C#N)CC1	ZINC000824045626	609141950	/nfs/dbraw/zinc/14/19/50/609141950.db2.gz	NPFWIWNYHYTGCB-LLVKDONJSA-N	-1	3	373.848	2.473	20	30		FEEDHM
CCN(CC)c1ccnc(N=NC(C)c2ccc(-c3nnn[n-]3)c(F)c2)n1	ZINC000825415525	609160987	/nfs/dbraw/zinc/16/09/87/609160987.db2.gz	BXQHFNCQPCLGBS-UHFFFAOYSA-N	-1	3	369.408	2.478	20	30		FEEDHM
CCN(CC)c1ccnc(N=NC(C)c2ccc(-c3nn[n-]n3)c(F)c2)n1	ZINC000825415525	609160988	/nfs/dbraw/zinc/16/09/88/609160988.db2.gz	BXQHFNCQPCLGBS-UHFFFAOYSA-N	-1	3	369.408	2.478	20	30		FEEDHM
CCNc1ccc(-c2nn[n-]n2)cc1NCC(=O)Nc1ccc(C#N)cc1	ZINC000825481017	609179131	/nfs/dbraw/zinc/17/91/31/609179131.db2.gz	RAHPLWNIDACGFD-UHFFFAOYSA-N	-1	3	362.397	2.221	20	30		FEEDHM
N#CCC[C@H](NC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1	ZINC000826381589	609254239	/nfs/dbraw/zinc/25/42/39/609254239.db2.gz	RDIPDTOWZMYJFG-DLBZAZTESA-N	-1	3	362.393	2.061	20	30		FEEDHM
N#CCC[C@H](NC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1	ZINC000826381589	609254240	/nfs/dbraw/zinc/25/42/40/609254240.db2.gz	RDIPDTOWZMYJFG-DLBZAZTESA-N	-1	3	362.393	2.061	20	30		FEEDHM
Cn1cc(C=NNc2ccc(F)cn2)c(-c2ccc(-c3nn[n-]n3)cc2)n1	ZINC000826360318	609306662	/nfs/dbraw/zinc/30/66/62/609306662.db2.gz	GCPAVBOODOLQIO-UHFFFAOYSA-N	-1	3	363.360	2.247	20	30		FEEDHM
COc1cc(-c2nnn[n-]2)ccc1CSc1nnc(C)c(C)c1C#N	ZINC000826173562	609308274	/nfs/dbraw/zinc/30/82/74/609308274.db2.gz	JJHAGXAMGBUXRV-UHFFFAOYSA-N	-1	3	353.411	2.446	20	30		FEEDHM
COc1cc(-c2nn[n-]n2)ccc1CSc1nnc(C)c(C)c1C#N	ZINC000826173562	609308277	/nfs/dbraw/zinc/30/82/77/609308277.db2.gz	JJHAGXAMGBUXRV-UHFFFAOYSA-N	-1	3	353.411	2.446	20	30		FEEDHM
Clc1cc([N-][NH+]=Cc2cnc(N3CCCC3)nc2)ccc1-c1nn[n-]n1	ZINC000826351229	609474337	/nfs/dbraw/zinc/47/43/37/609474337.db2.gz	DOKLAMITQBTCSG-UHFFFAOYSA-N	-1	3	369.820	2.356	20	30		FEEDHM
COCCOc1ccc(-c2nnn[n-]2)cc1NCc1ccccc1C#N	ZINC000826162532	609485815	/nfs/dbraw/zinc/48/58/15/609485815.db2.gz	HBOOTSYTIROITN-UHFFFAOYSA-N	-1	3	350.382	2.376	20	30		FEEDHM
COCCOc1ccc(-c2nn[n-]n2)cc1NCc1ccccc1C#N	ZINC000826162532	609485819	/nfs/dbraw/zinc/48/58/19/609485819.db2.gz	HBOOTSYTIROITN-UHFFFAOYSA-N	-1	3	350.382	2.376	20	30		FEEDHM
CC1(C#N)CCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC1	ZINC000824780019	609559873	/nfs/dbraw/zinc/55/98/73/609559873.db2.gz	ZQOVHZJISXHODB-UHFFFAOYSA-N	-1	3	364.369	2.453	20	30		FEEDHM
CC1(C#N)CCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CC1	ZINC000824780019	609559875	/nfs/dbraw/zinc/55/98/75/609559875.db2.gz	ZQOVHZJISXHODB-UHFFFAOYSA-N	-1	3	364.369	2.453	20	30		FEEDHM
C=CC1CCN(C(=O)c2cc(C)n(-c3cccc(-c4nnn[n-]4)c3)n2)CC1	ZINC000823888885	609572442	/nfs/dbraw/zinc/57/24/42/609572442.db2.gz	ZLJKCOYJRSNHEB-UHFFFAOYSA-N	-1	3	363.425	2.399	20	30		FEEDHM
C=CC1CCN(C(=O)c2cc(C)n(-c3cccc(-c4nn[n-]n4)c3)n2)CC1	ZINC000823888885	609572445	/nfs/dbraw/zinc/57/24/45/609572445.db2.gz	ZLJKCOYJRSNHEB-UHFFFAOYSA-N	-1	3	363.425	2.399	20	30		FEEDHM
C[C@H](CC(=O)O[C@H]1CCCC[C@@H]1F)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000811057199	674576234	/nfs/dbraw/zinc/57/62/34/674576234.db2.gz	IFQXNEFIBVQZKR-XBFCOCLRSA-N	-1	3	368.430	2.328	20	30		FEEDHM
C#C[C@@H]([N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F)[C@H]1CCCO1	ZINC000813692265	674770283	/nfs/dbraw/zinc/77/02/83/674770283.db2.gz	FWXYKRXQNAEMNU-NXEZZACHSA-N	-1	3	367.320	2.183	20	30		FEEDHM
CC(C)(C(=O)N[C@@H]1CCN([O-])C1=O)c1csc(-c2cccs2)n1	ZINC000816695214	675073603	/nfs/dbraw/zinc/07/36/03/675073603.db2.gz	XJLGPUAPVSVQRX-SECBINFHSA-N	-1	3	351.453	2.256	20	30		FEEDHM
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@H]1CCN([O-])C1=O	ZINC000816695222	675073682	/nfs/dbraw/zinc/07/36/82/675073682.db2.gz	XSRUGFYGPTWYOA-JTQLQIEISA-N	-1	3	353.737	2.162	20	30		FEEDHM
C[C@H](Sc1nc2ccccc2s1)C(=O)N[C@H]1CCCN([O-])C1=O	ZINC000816759081	675078055	/nfs/dbraw/zinc/07/80/55/675078055.db2.gz	DPLFLMOBJQYMTC-ONGXEEELSA-N	-1	3	351.453	2.273	20	30		FEEDHM
C=C[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1cc(F)ccc1Br	ZINC000578202068	671648353	/nfs/dbraw/zinc/64/83/53/671648353.db2.gz	OURKMIYIDYGQMI-MNOVXSKESA-N	-1	3	350.209	2.210	20	30		FEEDHM
CC(C)OCc1nc([C@H](C)[N-]S(=O)(=O)CC2(C#N)CCCC2)no1	ZINC000582635371	672020086	/nfs/dbraw/zinc/02/00/86/672020086.db2.gz	OUOQANGTHRNRHB-LBPRGKRZSA-N	-1	3	356.448	2.059	20	30		FEEDHM
C#CCCCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br	ZINC000126652945	672027278	/nfs/dbraw/zinc/02/72/78/672027278.db2.gz	JYFKNELQUTVFTQ-UHFFFAOYSA-N	-1	3	361.217	2.439	20	30		FEEDHM
CC(C)(C)[C@H]([N-]S(C)(=O)=O)C(=O)OC[C@@H](C#N)Cc1ccc(F)cc1	ZINC000156874657	672251869	/nfs/dbraw/zinc/25/18/69/672251869.db2.gz	AAFBGRDFRWCJGK-UKRRQHHQSA-N	-1	3	370.446	2.015	20	30		FEEDHM
C#CCCC[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl	ZINC000175313011	672367398	/nfs/dbraw/zinc/36/73/98/672367398.db2.gz	SIQJOQSSMABENR-UHFFFAOYSA-N	-1	3	350.223	2.472	20	30		FEEDHM
CCC[C@H](C#N)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1	ZINC000726532794	673128237	/nfs/dbraw/zinc/12/82/37/673128237.db2.gz	RLIZFGPLYBXMQE-GFCCVEGCSA-N	-1	3	355.435	2.325	20	30		FEEDHM
COC(=O)[C@@]1([N-]S(=O)(=O)Cc2cccc(C#N)c2)CC[C@@H](C)CC1	ZINC000594837907	673157747	/nfs/dbraw/zinc/15/77/47/673157747.db2.gz	VNCBXCOEVMCRBF-WJYNOGRTSA-N	-1	3	350.440	2.100	20	30		FEEDHM
CN(C(=O)COC(=O)c1cccc(Br)c1[O-])C(C)(C)C#N	ZINC000730364854	673277916	/nfs/dbraw/zinc/27/79/16/673277916.db2.gz	JOCMZVHJDZTTPP-UHFFFAOYSA-N	-1	3	355.188	2.072	20	30		FEEDHM
Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(NS(C)(=O)=O)cc1	ZINC000734118795	673452575	/nfs/dbraw/zinc/45/25/75/673452575.db2.gz	OKFKYBGSLVMIGY-UHFFFAOYSA-N	-1	3	365.436	2.039	20	30		FEEDHM
C#CCOc1ccccc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F	ZINC000734150917	673454114	/nfs/dbraw/zinc/45/41/14/673454114.db2.gz	RSBCRFUFILYNBB-UHFFFAOYSA-N	-1	3	364.354	2.224	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N(CC)c2ccncc2)ccc1F	ZINC000735441002	673493804	/nfs/dbraw/zinc/49/38/04/673493804.db2.gz	SOKWWQGTRSHDFY-UHFFFAOYSA-N	-1	3	363.414	2.352	20	30		FEEDHM
CC(CS(=O)(=O)c1ccccc1)N=Nc1cccc(-c2nnn[n-]2)c1	ZINC000736041225	673511164	/nfs/dbraw/zinc/51/11/64/673511164.db2.gz	UTBYHXUWDPJERZ-UHFFFAOYSA-N	-1	3	356.411	2.128	20	30		FEEDHM
CC(CS(=O)(=O)c1ccccc1)N=Nc1cccc(-c2nn[n-]n2)c1	ZINC000736041225	673511166	/nfs/dbraw/zinc/51/11/66/673511166.db2.gz	UTBYHXUWDPJERZ-UHFFFAOYSA-N	-1	3	356.411	2.128	20	30		FEEDHM
COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)n1ccc(C=N[O-])nc1=O	ZINC000736302486	673518761	/nfs/dbraw/zinc/51/87/61/673518761.db2.gz	LIGIFHQCSGTWNF-JTQLQIEISA-N	-1	3	364.789	2.222	20	30		FEEDHM
COCc1ccc(C=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)cc1	ZINC000741761910	673696942	/nfs/dbraw/zinc/69/69/42/673696942.db2.gz	QLYWRAZZLFEMST-UHFFFAOYSA-N	-1	3	363.395	2.195	20	30		FEEDHM
C=CCC1([N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)CCOCC1	ZINC000601463877	673867069	/nfs/dbraw/zinc/86/70/69/673867069.db2.gz	HUFDJJXRHQMBHC-UHFFFAOYSA-N	-1	3	358.391	2.446	20	30		FEEDHM
CC(C)(C(=O)N[C@@H]1CCN([O-])C1=O)[C@H](O)c1cc(Cl)cc(Cl)c1	ZINC000820127678	675337798	/nfs/dbraw/zinc/33/77/98/675337798.db2.gz	ONFMQXGNTJYZPH-VXGBXAGGSA-N	-1	3	361.225	2.159	20	30		FEEDHM
Cc1cc2cc(C(=O)N[C@H]3CCN([O-])C3=O)oc2c(Br)c1	ZINC000820174156	675341167	/nfs/dbraw/zinc/34/11/67/675341167.db2.gz	GZIMCFQKCXFDES-JTQLQIEISA-N	-1	3	353.172	2.224	20	30		FEEDHM
Cc1cc(Br)ccc1SCC(=O)N[C@H]1CCCN([O-])C1=O	ZINC000820471264	675364468	/nfs/dbraw/zinc/36/44/68/675364468.db2.gz	QTNMCUHPXCRUCO-NSHDSACASA-N	-1	3	373.272	2.346	20	30		FEEDHM
O=C(N[C@H]1CCCN([O-])C1=O)C1(c2ccc(Br)cc2)CCC1	ZINC000820481879	675365193	/nfs/dbraw/zinc/36/51/93/675365193.db2.gz	AHTJEFSUMPXXLC-ZDUSSCGKSA-N	-1	3	367.243	2.367	20	30		FEEDHM
O=C(N[C@H]1CCCN([O-])C1=O)c1ccccc1CSC1=NCCS1	ZINC000820482490	675365359	/nfs/dbraw/zinc/36/53/59/675365359.db2.gz	LFGBTULPEFRRKN-ZDUSSCGKSA-N	-1	3	365.480	2.133	20	30		FEEDHM
C=CC(C)(C)CCNC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1	ZINC000628317174	676797641	/nfs/dbraw/zinc/79/76/41/676797641.db2.gz	YRPUXKKKYKHNJT-UHFFFAOYSA-N	-1	3	350.893	2.398	20	30		FEEDHM
C=CCCn1cc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)nn1	ZINC000632635273	677006842	/nfs/dbraw/zinc/00/68/42/677006842.db2.gz	OITMDGKLCJGIEL-UHFFFAOYSA-N	-1	3	366.390	2.413	20	30		FEEDHM
C=C[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1sc(Br)cc1C	ZINC000651727842	677447656	/nfs/dbraw/zinc/44/76/56/677447656.db2.gz	CNFOWYJXHHORPD-BDAKNGLRSA-N	-1	3	352.275	2.441	20	30		FEEDHM
COc1cc(C#N)cc(Br)c1OS(=O)(=O)c1cn[n-]c1C	ZINC000765233476	680836506	/nfs/dbraw/zinc/83/65/06/680836506.db2.gz	OSEYNTRBPBCVLG-UHFFFAOYSA-N	-1	3	372.200	2.129	20	30		FEEDHM
CC(C)Oc1ccc([N-]S(=O)(=O)CC(=O)O[C@H](C#N)C2CC2)cc1	ZINC000747784160	679903081	/nfs/dbraw/zinc/90/30/81/679903081.db2.gz	MAGJFUICOUSUOD-OAHLLOKOSA-N	-1	3	352.412	2.061	20	30		FEEDHM
N#CCC1(C[N-]S(=O)(=O)c2cnc(Cl)c(Br)c2)CC1	ZINC000831352882	679970883	/nfs/dbraw/zinc/97/08/83/679970883.db2.gz	FDVRJJQRMPKUAP-UHFFFAOYSA-N	-1	3	364.652	2.470	20	30		FEEDHM
COCc1nn(C)cc1C([O-])=C(C#N)C(=O)Nc1ccc(F)c(Cl)c1	ZINC000835064992	680292545	/nfs/dbraw/zinc/29/25/45/680292545.db2.gz	JLAUGZCHONFASI-SNVBAGLBSA-N	-1	3	364.764	2.320	20	30		FEEDHM
C=CCO[N-]C(=O)CC[C@@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O	ZINC000837046445	680546552	/nfs/dbraw/zinc/54/65/52/680546552.db2.gz	JEVOGLFOQXLPMQ-LBPRGKRZSA-N	-1	3	372.208	2.432	20	30		FEEDHM
CCC(C)(C)CNC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000758090181	680554767	/nfs/dbraw/zinc/55/47/67/680554767.db2.gz	CVAGQTQLIRMICA-GFCCVEGCSA-N	-1	3	351.472	2.056	20	30		FEEDHM
C#CC[C@H]([N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl)C(=O)OC	ZINC000841540539	680894540	/nfs/dbraw/zinc/89/45/40/680894540.db2.gz	MPXCEBLJEORTFQ-JTQLQIEISA-N	-1	3	350.223	2.145	20	30		FEEDHM
CC[C@@H]1CCN1C(=O)[C@@H](CC(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000843895973	681024368	/nfs/dbraw/zinc/02/43/68/681024368.db2.gz	UACYUWOQIWSNMK-UKRRQHHQSA-N	-1	3	363.483	2.151	20	30		FEEDHM
C[C@@H]1CCC[C@H](COC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)C1	ZINC000770905930	681031776	/nfs/dbraw/zinc/03/17/76/681031776.db2.gz	AJMJIWPDKRDCLG-OLZOCXBDSA-N	-1	3	350.440	2.095	20	30		FEEDHM
C#C[C@@H]([N-]S(=O)(=O)c1sc(Br)cc1C)[C@@H]1CCCO1	ZINC000845913266	681161821	/nfs/dbraw/zinc/16/18/21/681161821.db2.gz	YHUVPGAPXMLNFQ-ZJUUUORDSA-N	-1	3	364.286	2.278	20	30		FEEDHM
C#C[C@H]([N-]S(=O)(=O)c1sc(C)cc1Br)[C@@H]1CCCO1	ZINC000773056059	681123045	/nfs/dbraw/zinc/12/30/45/681123045.db2.gz	LUOJHJOKDKEQPK-QWRGUYRKSA-N	-1	3	364.286	2.278	20	30		FEEDHM
CC(C)(C)[C@H]([N-]S(C)(=O)=O)C(=O)OCC#Cc1cccc(Cl)c1	ZINC000773175049	681129150	/nfs/dbraw/zinc/12/91/50/681129150.db2.gz	UKAIGQAUFAHRQT-CQSZACIVSA-N	-1	3	357.859	2.199	20	30		FEEDHM
C[C@@H](CC(=O)N1CCCC[C@@H](C)C1)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000773914957	681159904	/nfs/dbraw/zinc/15/99/04/681159904.db2.gz	IOXDXYDGVBGIBS-KGLIPLIRSA-N	-1	3	363.483	2.152	20	30		FEEDHM
CC[C@@H]1[C@H](C)CCN1C(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000775317993	681297365	/nfs/dbraw/zinc/29/73/65/681297365.db2.gz	CAAQGEBXIISVLD-UMVBOHGHSA-N	-1	3	363.483	2.151	20	30		FEEDHM
O=C(N[C@@H]1CCCN([O-])C1=O)c1c(Cl)cc(F)cc1Br	ZINC000848132359	681478181	/nfs/dbraw/zinc/47/81/81/681478181.db2.gz	QGUBYAUIFWMIDL-SECBINFHSA-N	-1	3	365.586	2.352	20	30		FEEDHM
O=C(N[C@@H]1CCCN([O-])C1=O)c1cnc2ccccc2c1C(F)(F)F	ZINC000848137242	681478590	/nfs/dbraw/zinc/47/85/90/681478590.db2.gz	BKJYINMBZALACJ-GFCCVEGCSA-N	-1	3	353.300	2.364	20	30		FEEDHM
COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-]CC2(C#N)CCCC2)c1	ZINC000848461032	681552532	/nfs/dbraw/zinc/55/25/32/681552532.db2.gz	QWAREPQOTMCMJE-UHFFFAOYSA-N	-1	3	354.403	2.283	20	30		FEEDHM
C=CCCSCC[N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)OC	ZINC000849425681	681729795	/nfs/dbraw/zinc/72/97/95/681729795.db2.gz	CJBOPRCUKWALII-UHFFFAOYSA-N	-1	3	364.876	2.109	20	30		FEEDHM
CC[C@H](C#N)OC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1	ZINC000781161309	681906035	/nfs/dbraw/zinc/90/60/35/681906035.db2.gz	YKQIOOUHQZQPCU-SNVBAGLBSA-N	-1	3	351.359	2.414	20	30		FEEDHM
Cc1cc(C#N)cc(C)c1CS(=O)(=O)[N-][C@H]1CCCCC12OCCO2	ZINC000914272898	685501935	/nfs/dbraw/zinc/50/19/35/685501935.db2.gz	QRPGUEVSEQGGDF-KRWDZBQOSA-N	-1	3	364.467	2.280	20	30		FEEDHM
CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1	ZINC000917753656	685534468	/nfs/dbraw/zinc/53/44/68/685534468.db2.gz	NJDOPYDZSFVWEU-UHFFFAOYSA-N	-1	3	365.436	2.121	20	30		FEEDHM
N#Cc1cc(CS(=O)(=O)[N-]C[C@@H](n2cccn2)C(F)(F)F)cs1	ZINC000917948501	685535946	/nfs/dbraw/zinc/53/59/46/685535946.db2.gz	WJOSVXABTCZRFF-LLVKDONJSA-N	-1	3	364.374	2.039	20	30		FEEDHM
CCn1ccnc1[C@@H]1OCC[C@H]1[N-]S(=O)(=O)CC1(C#N)CCCCC1	ZINC000918066910	685536998	/nfs/dbraw/zinc/53/69/98/685536998.db2.gz	YBUXWDAQZLUSKP-HUUCEWRRSA-N	-1	3	366.487	2.126	20	30		FEEDHM
O=C1CN(N=Cc2csc(COc3ccc(Cl)cc3)n2)C(=O)[N-]1	ZINC000918711158	685541289	/nfs/dbraw/zinc/54/12/89/685541289.db2.gz	RAGSWNOHALMOAX-UHFFFAOYSA-N	-1	3	350.787	2.261	20	30		FEEDHM
CC(C)[C@@](C)(C#N)NC(=O)COC(=O)CCCc1ccc([O-])c(F)c1	ZINC000787847467	682484170	/nfs/dbraw/zinc/48/41/70/682484170.db2.gz	GGSVSQQYWJNMTB-GOSISDBHSA-N	-1	3	350.390	2.452	20	30		FEEDHM
C[C@H](CC(=O)N1[C@@H](C)CCC1(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000854897638	682607006	/nfs/dbraw/zinc/60/70/06/682607006.db2.gz	DQAKOUKIPWJQIM-OLZOCXBDSA-N	-1	3	363.483	2.293	20	30		FEEDHM
CC(C)[C@H](NC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21)C1CC1	ZINC000856126389	682743913	/nfs/dbraw/zinc/74/39/13/682743913.db2.gz	UFFQZZQMJQQULT-PXAZEXFGSA-N	-1	3	363.483	2.055	20	30		FEEDHM
C[C@H](CNC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21)C1CCCCC1	ZINC000856224682	682755648	/nfs/dbraw/zinc/75/56/48/682755648.db2.gz	INMRLTYVRKUISP-CYBMUJFWSA-N	-1	3	363.483	2.058	20	30		FEEDHM
C#CC[C@@H](Cc1ccccc1)OC(=O)c1cc(S(=O)(=O)[N-]C)oc1C	ZINC000793373601	682885684	/nfs/dbraw/zinc/88/56/84/682885684.db2.gz	JDADJWZNCVYPIA-HNNXBMFYSA-N	-1	3	361.419	2.288	20	30		FEEDHM
C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)c1ccc([N-]S(C)(=O)=O)cc1	ZINC000858086675	682933197	/nfs/dbraw/zinc/93/31/97/682933197.db2.gz	RWVFTRYFJBQHLQ-ZDUSSCGKSA-N	-1	3	368.455	2.028	20	30		FEEDHM
COC(=O)c1csc(C(C)=N[N-]S(=O)(=O)CCc2ccccc2)c1	ZINC000794915796	683002998	/nfs/dbraw/zinc/00/29/98/683002998.db2.gz	VEHKJPADFUWGPM-UHFFFAOYSA-N	-1	3	366.464	2.421	20	30		FEEDHM
C[C@@H](OC(=O)c1cc([O-])cc(Br)c1)C(=O)NC1(C#N)CCC1	ZINC000860202558	683215210	/nfs/dbraw/zinc/21/52/10/683215210.db2.gz	VONQZXGYSQYPHN-SECBINFHSA-N	-1	3	367.199	2.262	20	30		FEEDHM
CCCC[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N[C@@H]1C[C@H]1CC	ZINC000798094040	683307616	/nfs/dbraw/zinc/30/76/16/683307616.db2.gz	CETNOUYSZYROOJ-BPLDGKMQSA-N	-1	3	363.483	2.199	20	30		FEEDHM
CN(C)Cc1csc(C[N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)n1	ZINC000921104146	683397211	/nfs/dbraw/zinc/39/72/11/683397211.db2.gz	FWPHMQGPPHMLIM-UHFFFAOYSA-N	-1	3	370.887	2.208	20	30		FEEDHM
O=C(N[C@@H]1CCCN([O-])C1=O)c1ccc(OC(F)(F)F)c(Cl)c1	ZINC000861828229	683481367	/nfs/dbraw/zinc/48/13/67/683481367.db2.gz	PNZCRMHEXVLYJL-SECBINFHSA-N	-1	3	352.696	2.349	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H](CCC)OCC)ccc1F	ZINC000862418512	683588564	/nfs/dbraw/zinc/58/85/64/683588564.db2.gz	MLBQDZOIFLNYDP-CQSZACIVSA-N	-1	3	372.462	2.225	20	30		FEEDHM
C#CCC1([N-]S(=O)(=O)c2cnn(C)c2Br)CCCCC1	ZINC000922029648	683641879	/nfs/dbraw/zinc/64/18/79/683641879.db2.gz	YDOHWLAVDVFTNX-UHFFFAOYSA-N	-1	3	360.277	2.187	20	30		FEEDHM
Cc1ncc(CO)c(/C=N\[C@H]2C[C@H](S(=O)(=O)c3ccccc3)C2)c1[O-]	ZINC000864347678	683840441	/nfs/dbraw/zinc/84/04/41/683840441.db2.gz	VZEKHXSAXJZZEU-PGOQHEIASA-N	-1	3	360.435	2.012	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)NCC[C@@H]2CCSC2)ccc1F	ZINC000869608222	684635263	/nfs/dbraw/zinc/63/52/63/684635263.db2.gz	VQGPXISIIPNKIM-GFCCVEGCSA-N	-1	3	372.487	2.163	20	30		FEEDHM
N#Cc1ccccc1N1CCC([N-]S(=O)(=O)c2cccnc2F)CC1	ZINC000882475577	687372978	/nfs/dbraw/zinc/37/29/78/687372978.db2.gz	RFHYIZWLXCKOIN-UHFFFAOYSA-N	-1	3	360.414	2.040	20	30		FEEDHM
O=c1cc(N2CC[C@H](N=Cc3cc(Br)ccc3O)C2)nc[n-]1	ZINC000899231183	690323143	/nfs/dbraw/zinc/32/31/43/690323143.db2.gz	BJIIAPQDSIRBOO-SMWBLXLWSA-N	-1	3	363.215	2.348	20	30		FEEDHM
O=C(N[C@H]1CCCN([O-])C1=O)c1cc(Br)ccc1C1CC1	ZINC000908403492	691673702	/nfs/dbraw/zinc/67/37/02/691673702.db2.gz	RANNSYBMVZDACM-ZDUSSCGKSA-N	-1	3	353.216	2.437	20	30		FEEDHM
COC(=O)c1ccc(OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1	ZINC000005165132	539403837	/nfs/dbraw/zinc/40/38/37/539403837.db2.gz	ASNPSKJZZSGENV-UHFFFAOYSA-N	-1	3	354.362	2.188	20	30		FEEDHM
CC[C@H](Cc1ccccc1Br)C(=O)N[C@H]1CCN([O-])C1=O	ZINC000820186566	675342040	/nfs/dbraw/zinc/34/20/40/675342040.db2.gz	ZKGFJCFYJFEERW-MFKMUULPSA-N	-1	3	355.232	2.124	20	30		FEEDHM
COc1ccc(CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1OC	ZINC000017298812	539640882	/nfs/dbraw/zinc/64/08/82/539640882.db2.gz	IEQUNCNASZJHMB-UHFFFAOYSA-N	-1	3	369.421	2.130	20	30		FEEDHM
N#Cc1ccc(CSCC(=O)NCCNC(=O)c2ccc([O-])cc2)cc1	ZINC000053742699	540551937	/nfs/dbraw/zinc/55/19/37/540551937.db2.gz	NNURXLSBXNDLQK-UHFFFAOYSA-N	-1	3	369.446	2.043	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(CCC#N)Cc1ccco1	ZINC000070871415	541748044	/nfs/dbraw/zinc/74/80/44/541748044.db2.gz	XNUCYIKAZDYNEI-UHFFFAOYSA-N	-1	3	352.394	2.332	20	30		FEEDHM
CN(C)CCOc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2F)cc1	ZINC000093867939	542943453	/nfs/dbraw/zinc/94/34/53/542943453.db2.gz	GMBYEYFDXQNSTD-UHFFFAOYSA-N	-1	3	363.414	2.439	20	30		FEEDHM
CC(=O)N(C)c1ccccc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C	ZINC000118263781	543649164	/nfs/dbraw/zinc/64/91/64/543649164.db2.gz	DOEANURVZBXENV-UHFFFAOYSA-N	-1	3	366.421	2.417	20	30		FEEDHM
N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCN(CC3CCCC3)C2)c(F)c1	ZINC000125755332	543899799	/nfs/dbraw/zinc/89/97/99/543899799.db2.gz	XDJMQHKRWIILRC-CQSZACIVSA-N	-1	3	369.437	2.379	20	30		FEEDHM
C=CCN(CC=C)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1	ZINC000133726175	544281280	/nfs/dbraw/zinc/28/12/80/544281280.db2.gz	RNDUVWQDIOTKJG-UHFFFAOYSA-N	-1	3	363.892	2.063	20	30		FEEDHM
C=CCCCN(C)C(=O)c1cc(C2CC2)nc2c1c(=O)[n-]c(=O)n2CCC	ZINC000135091525	544333846	/nfs/dbraw/zinc/33/38/46/544333846.db2.gz	QTXMOUUJYUAJFF-UHFFFAOYSA-N	-1	3	370.453	2.410	20	30		FEEDHM
C#CCN1CCC(C(=O)NCc2ccc([O-])c(Br)c2)CC1	ZINC000151519892	544551571	/nfs/dbraw/zinc/55/15/71/544551571.db2.gz	KETSHFQRLCWTEQ-UHFFFAOYSA-N	-1	3	351.244	2.116	20	30		FEEDHM
CC[C@H](C)[N-]C(=S)C(C(=O)c1cnn(C)c1)[n+]1cc([O-])cc(Cl)c1	ZINC000151932481	544597238	/nfs/dbraw/zinc/59/72/38/544597238.db2.gz	SGCWWNDXWSENQY-JTQLQIEISA-O	-1	3	367.882	2.394	20	30		FEEDHM
N#CCc1ccc(NC(=O)NCCCNC(=O)c2cccc([O-])c2)cc1	ZINC000154286211	544886003	/nfs/dbraw/zinc/88/60/03/544886003.db2.gz	CRCMANLMNNLSCK-UHFFFAOYSA-N	-1	3	352.394	2.400	20	30		FEEDHM
N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)c2cccc([O-])c2)CC1	ZINC000181851774	327749269	/nfs/dbraw/zinc/74/92/69/327749269.db2.gz	XPSIWQHPDLKKPQ-UHFFFAOYSA-N	-1	3	364.361	2.474	20	30		FEEDHM
CC[C@H](C[N-]S(=O)(=O)c1ccc(C#N)o1)N1CCc2ccccc2C1	ZINC000553772710	674285132	/nfs/dbraw/zinc/28/51/32/674285132.db2.gz	JRBQWGJRZAJXLN-MRXNPFEDSA-N	-1	3	359.451	2.266	20	30		FEEDHM
CCO[C@@H]1C[C@](O)(C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)C1(C)C	ZINC000188476641	328089538	/nfs/dbraw/zinc/08/95/38/328089538.db2.gz	VVBVRMQURIDUKQ-ZBFHGGJFSA-N	-1	3	372.874	2.056	20	30		FEEDHM
N#Cc1ccc(C(=O)N2CCC(CCCN3CCOCC3)CC2)cc1[O-]	ZINC000189197186	328134267	/nfs/dbraw/zinc/13/42/67/328134267.db2.gz	AREKQXVAICTLBB-UHFFFAOYSA-N	-1	3	357.454	2.228	20	30		FEEDHM
COc1ccccc1CN(C)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C	ZINC000018076377	324389528	/nfs/dbraw/zinc/38/95/28/324389528.db2.gz	QTKMWTBQWQWNOA-UHFFFAOYSA-N	-1	3	353.422	2.463	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CCCC[C@H]1n1cccn1	ZINC000080512679	325134213	/nfs/dbraw/zinc/13/42/13/325134213.db2.gz	CFHNIAVUSVYXQB-ZWKOTPCHSA-N	-1	3	367.453	2.293	20	30		FEEDHM
C[C@@H](O)C[C@H](C)C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000120825957	326291235	/nfs/dbraw/zinc/29/12/35/326291235.db2.gz	XYMJDBYBIFSTFL-VHSXEESVSA-N	-1	3	350.362	2.262	20	30		FEEDHM
N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CCCOC1CCOCC1	ZINC000121956278	326377958	/nfs/dbraw/zinc/37/79/58/326377958.db2.gz	QQMLJIOFRHNYGH-UHFFFAOYSA-N	-1	3	358.847	2.076	20	30		FEEDHM
CC(C)[C@H]([N-]S(=O)(=O)c1ccccc1C#N)c1nnc2ccccn21	ZINC000126082641	326482767	/nfs/dbraw/zinc/48/27/67/326482767.db2.gz	MEVUDRLOHQDLDP-INIZCTEOSA-N	-1	3	355.423	2.277	20	30		FEEDHM
CCO[C@H]1C[C@H](N(C)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C1(C)C	ZINC000127864078	326513856	/nfs/dbraw/zinc/51/38/56/326513856.db2.gz	YBXWQXWDHKWVQL-IRXDYDNUSA-N	-1	3	359.470	2.458	20	30		FEEDHM
Cc1ccc2c(c1)[C@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)CO2	ZINC000156113067	326817984	/nfs/dbraw/zinc/81/79/84/326817984.db2.gz	OZLBMCXNRHUVTI-QGZVFWFLSA-N	-1	3	351.406	2.354	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)c1cccc([N+](=O)[O-])c1	ZINC000158520405	326898581	/nfs/dbraw/zinc/89/85/81/326898581.db2.gz	FMFHAZBYAQBDNW-UHFFFAOYSA-N	-1	3	354.366	2.367	20	30		FEEDHM
N#Cc1cc(F)ccc1S(=O)(=O)[N-]CCOc1ccc(F)cc1F	ZINC000178538147	327591169	/nfs/dbraw/zinc/59/11/69/327591169.db2.gz	ZTMJERGZOSLXAS-UHFFFAOYSA-N	-1	3	356.325	2.333	20	30		FEEDHM
CC[C@@]([N-]S(=O)(=O)Cc1cccc(C#N)c1)(C(=O)OC)c1ccccc1	ZINC000264533877	329033564	/nfs/dbraw/zinc/03/35/64/329033564.db2.gz	YMWWCBYNMWYBBJ-IBGZPJMESA-N	-1	3	372.446	2.456	20	30		FEEDHM
N#Cc1cccc(NC(=O)C2CCN(C(=O)c3c([O-])cccc3O)CC2)c1	ZINC000271274058	329679258	/nfs/dbraw/zinc/67/92/58/329679258.db2.gz	KMKAQEFDRMCVPX-UHFFFAOYSA-N	-1	3	365.389	2.460	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]Cc2nc(-c3cccc(F)c3)no2)s1	ZINC000367190010	330227811	/nfs/dbraw/zinc/22/78/11/330227811.db2.gz	ZMYHZBNWJQDGGZ-UHFFFAOYSA-N	-1	3	364.383	2.287	20	30		FEEDHM
O=C(C[C@@H]1NC(=O)[N-]C1=O)NC[C@@H]1C[C@H](F)CN1Cc1cccs1	ZINC000328647680	527588099	/nfs/dbraw/zinc/58/80/99/527588099.db2.gz	UEPARGNJYPXRHV-NHCYSSNCSA-N	-1	3	354.407	2.260	20	30		FEEDHM
C=CCOc1cccc(NC(=O)C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)c1	ZINC000472969493	538726392	/nfs/dbraw/zinc/72/63/92/538726392.db2.gz	PDUPIFWNDUZSRD-OAHLLOKOSA-N	-1	3	356.382	2.403	20	30		FEEDHM
CS[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1	ZINC000157695978	545771529	/nfs/dbraw/zinc/77/15/29/545771529.db2.gz	NNFDGHPGJILXIN-GHMZBOCLSA-N	-1	3	355.441	2.419	20	30		FEEDHM
C=CCCOCC[N-]S(=O)(=O)c1cc(Br)ccc1OC	ZINC000163414738	546145129	/nfs/dbraw/zinc/14/51/29/546145129.db2.gz	FZBQUXYSYSHZFP-UHFFFAOYSA-N	-1	3	364.261	2.329	20	30		FEEDHM
C=CCN1CCC([N-]S(=O)(=O)c2ccc(C(=O)OC)cc2Cl)CC1	ZINC000171536497	546212542	/nfs/dbraw/zinc/21/25/42/546212542.db2.gz	RCRCPRSSLJLFMG-UHFFFAOYSA-N	-1	3	372.874	2.055	20	30		FEEDHM
N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H]1COc2ccccc2O1	ZINC000480293291	561206509	/nfs/dbraw/zinc/20/65/09/561206509.db2.gz	XEXJJZOBAYZOSK-ZDUSSCGKSA-N	-1	3	364.810	2.330	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H]1CCCO[C@H]1C(C)C	ZINC000177964326	546713585	/nfs/dbraw/zinc/71/35/85/546713585.db2.gz	OZDYCUAZGWYPDV-BEFAXECRSA-N	-1	3	359.470	2.363	20	30		FEEDHM
COC(=O)c1ccc(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)cc1	ZINC000178488650	546802123	/nfs/dbraw/zinc/80/21/23/546802123.db2.gz	JUJWMWCGFWPSEZ-UHFFFAOYSA-N	-1	3	364.810	2.477	20	30		FEEDHM
COc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2F)cc1[N+](=O)[O-]	ZINC000178810722	546853651	/nfs/dbraw/zinc/85/36/51/546853651.db2.gz	OPDJROKCJCFUAD-UHFFFAOYSA-N	-1	3	351.315	2.415	20	30		FEEDHM
C=CCN(CC1CCCCC1)S(=O)(=O)c1[n-]ncc1C(=O)OCC	ZINC000482077667	561248075	/nfs/dbraw/zinc/24/80/75/561248075.db2.gz	PEZAHORDVIPSMY-UHFFFAOYSA-N	-1	3	355.460	2.343	20	30		FEEDHM
C=CCN(CC1CCCCC1)S(=O)(=O)c1n[n-]cc1C(=O)OCC	ZINC000482077667	561248076	/nfs/dbraw/zinc/24/80/76/561248076.db2.gz	PEZAHORDVIPSMY-UHFFFAOYSA-N	-1	3	355.460	2.343	20	30		FEEDHM
CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-][C@]1(C#N)CCC[C@H](C)C1	ZINC000182010083	547421474	/nfs/dbraw/zinc/42/14/74/547421474.db2.gz	AHCLXEGEAXATEB-MEDUHNTESA-N	-1	3	354.428	2.379	20	30		FEEDHM
CC[C@H](C#N)NC(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1	ZINC000183649236	547695535	/nfs/dbraw/zinc/69/55/35/547695535.db2.gz	ANPGYBYNILYKTB-LLVKDONJSA-N	-1	3	358.423	2.370	20	30		FEEDHM
N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCN(c3ccccn3)C2)c1	ZINC000185451529	547987187	/nfs/dbraw/zinc/98/71/87/547987187.db2.gz	VMIXJJZNBXKHSK-CYBMUJFWSA-N	-1	3	362.842	2.164	20	30		FEEDHM
N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCN(c3ccccn3)C2)c1	ZINC000185451500	547987244	/nfs/dbraw/zinc/98/72/44/547987244.db2.gz	VMIXJJZNBXKHSK-ZDUSSCGKSA-N	-1	3	362.842	2.164	20	30		FEEDHM
C=CCN(CC=C)C(=O)c1cc(C(C)C)nc2c1c(=O)[n-]c(=O)n2CC	ZINC000193020967	548378062	/nfs/dbraw/zinc/37/80/62/548378062.db2.gz	RVRAZDHSLLMQLU-UHFFFAOYSA-N	-1	3	356.426	2.042	20	30		FEEDHM
C=CCCOCC[N-]S(=O)(=O)c1ccc(Br)c(F)c1	ZINC000229874333	548757177	/nfs/dbraw/zinc/75/71/77/548757177.db2.gz	PVXIVPBEFXHXSM-UHFFFAOYSA-N	-1	3	352.225	2.459	20	30		FEEDHM
CCOC(=O)CC(C)(C)N(C)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C	ZINC000490329840	561431036	/nfs/dbraw/zinc/43/10/36/561431036.db2.gz	JXTOLTPHCYHXNR-UHFFFAOYSA-N	-1	3	361.442	2.399	20	30		FEEDHM
C[C@@H]1CN(C2CC2)C[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000268809155	550118903	/nfs/dbraw/zinc/11/89/03/550118903.db2.gz	STEZIJGSFUBSOT-YGRLFVJLSA-N	-1	3	373.400	2.338	20	30		FEEDHM
Cc1cc(F)cc2c1[n-]cc(C(=O)NC[C@@H]1CCCN(CC#N)C1)c2=O	ZINC000269349572	550183899	/nfs/dbraw/zinc/18/38/99/550183899.db2.gz	RFRWDDHVMXSGFQ-ZDUSSCGKSA-N	-1	3	356.401	2.353	20	30		FEEDHM
CC(C)c1nc([C@H](C)[N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)n[nH]1	ZINC000270557109	550283503	/nfs/dbraw/zinc/28/35/03/550283503.db2.gz	IDZZPCMSQHHPOY-VIFPVBQESA-N	-1	3	353.835	2.493	20	30		FEEDHM
C=CCN1CCC([N-]S(=O)(=O)c2c(Cl)ccnc2Cl)CC1	ZINC000272225489	550429558	/nfs/dbraw/zinc/42/95/58/550429558.db2.gz	OIEFWPKGNIJBBT-UHFFFAOYSA-N	-1	3	350.271	2.317	20	30		FEEDHM
C=CCN(CCc1ccco1)C(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1	ZINC000272628205	550461678	/nfs/dbraw/zinc/46/16/78/550461678.db2.gz	MTCRUFNMQZFZFW-HXUWFJFHSA-N	-1	3	367.405	2.205	20	30		FEEDHM
C=C(C)[C@@H](Cc1nc(-c2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)no1)OCC	ZINC000273737098	550509872	/nfs/dbraw/zinc/50/98/72/550509872.db2.gz	BJPYZHYGTREIHF-KUHUBIRLSA-N	-1	3	370.409	2.315	20	30		FEEDHM
COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@]2(C#N)CCC[C@H](C)C2)s1	ZINC000274754365	550552208	/nfs/dbraw/zinc/55/22/08/550552208.db2.gz	PCPHCTDBTHWNEO-ZUZCIYMTSA-N	-1	3	372.468	2.294	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-]C[C@@H](c1cccs1)N1CCCC1	ZINC000276978743	550617709	/nfs/dbraw/zinc/61/77/09/550617709.db2.gz	GRLPVJZPUNGSKE-AWEZNQCLSA-N	-1	3	362.480	2.130	20	30		FEEDHM
CC[C@H](C)C(=O)Nc1cccc(C[N-]S(=O)(=O)c2cccnc2C#N)c1	ZINC000277046971	550625816	/nfs/dbraw/zinc/62/58/16/550625816.db2.gz	PWESEHKFWMKDAR-ZDUSSCGKSA-N	-1	3	372.450	2.416	20	30		FEEDHM
C=CCNC(=O)Nc1ccc(NC(=O)CNC(=O)c2cccc([O-])c2)cc1	ZINC000494889933	561478618	/nfs/dbraw/zinc/47/86/18/561478618.db2.gz	DCVYXCDSZWXNIX-UHFFFAOYSA-N	-1	3	368.393	2.068	20	30		FEEDHM
C=C(C)[C@@H](CC(=O)N1CCC(c2nnc(C(=O)OCC)[n-]2)CC1)OCC	ZINC000277716185	550705542	/nfs/dbraw/zinc/70/55/42/550705542.db2.gz	NCLROGFMJPFURU-CQSZACIVSA-N	-1	3	364.446	2.059	20	30		FEEDHM
C=C(C)[C@@H](CC(=O)N1CCC(c2n[n-]c(C(=O)OCC)n2)CC1)OCC	ZINC000277716185	550705543	/nfs/dbraw/zinc/70/55/43/550705543.db2.gz	NCLROGFMJPFURU-CQSZACIVSA-N	-1	3	364.446	2.059	20	30		FEEDHM
C#CCn1ccc(CN(CC)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)n1	ZINC000279019689	550847441	/nfs/dbraw/zinc/84/74/41/550847441.db2.gz	VOBJPMSFPBARCW-UHFFFAOYSA-N	-1	3	365.437	2.087	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@@H](O)Cc2ccccc21	ZINC000279550171	550902263	/nfs/dbraw/zinc/90/22/63/550902263.db2.gz	PCHJHDAPWCREAQ-HNNXBMFYSA-N	-1	3	351.406	2.159	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc([C@@H]2CCCOC2)[nH]n1	ZINC000279891127	550940260	/nfs/dbraw/zinc/94/02/60/550940260.db2.gz	HOIYOXXLMWKTEU-CYBMUJFWSA-N	-1	3	369.425	2.464	20	30		FEEDHM
N#C[C@@H](NC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-])C1CCCCC1	ZINC000283211750	551329680	/nfs/dbraw/zinc/32/96/80/551329680.db2.gz	AEYLGLQMKRPXIA-OAHLLOKOSA-N	-1	3	370.384	2.076	20	30		FEEDHM
N#C[C@@H](NC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O)C1CCCCC1	ZINC000283211750	551329682	/nfs/dbraw/zinc/32/96/82/551329682.db2.gz	AEYLGLQMKRPXIA-OAHLLOKOSA-N	-1	3	370.384	2.076	20	30		FEEDHM
C#CCCCC[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)N(C)C)c1OC	ZINC000284162946	551495786	/nfs/dbraw/zinc/49/57/86/551495786.db2.gz	FVIDVZQETAVOSU-UHFFFAOYSA-N	-1	3	372.874	2.132	20	30		FEEDHM
C=CCOc1cccc(NC(=O)N2CCC[C@@H]2C[C@@]2(C)NC(=O)[N-]C2=O)c1	ZINC000287073279	551960153	/nfs/dbraw/zinc/96/01/53/551960153.db2.gz	QDQDJJSZZFGWAR-AUUYWEPGSA-N	-1	3	372.425	2.236	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)[C@@H](O)c1ccccc1	ZINC000290265939	552451207	/nfs/dbraw/zinc/45/12/07/552451207.db2.gz	ZMGQRDYLDREOLJ-AUUYWEPGSA-N	-1	3	353.422	2.447	20	30		FEEDHM
N#Cc1ccc(/C=C/C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cc1	ZINC000290293475	552455598	/nfs/dbraw/zinc/45/55/98/552455598.db2.gz	FLQFIGBSTNNOEF-KIUWMYQTSA-N	-1	3	365.355	2.489	20	30		FEEDHM
CC(C)n1nccc1[C@H]1OCC[C@@H]1[N-]S(=O)(=O)CC(C)(C)CC#N	ZINC000295875958	553070570	/nfs/dbraw/zinc/07/05/70/553070570.db2.gz	FYAYBRYQBRIQLZ-ZFWWWQNUSA-N	-1	3	354.476	2.153	20	30		FEEDHM
COCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(F)cc2[n-]nnc21	ZINC000503491607	561642722	/nfs/dbraw/zinc/64/27/22/561642722.db2.gz	INXMSNTZHADRLY-UHFFFAOYSA-N	-1	3	353.357	2.257	20	30		FEEDHM
COCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(F)cc2nn[n-]c21	ZINC000503491607	561642723	/nfs/dbraw/zinc/64/27/23/561642723.db2.gz	INXMSNTZHADRLY-UHFFFAOYSA-N	-1	3	353.357	2.257	20	30		FEEDHM
COCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(F)cc2n[n-]nc21	ZINC000503491607	561642724	/nfs/dbraw/zinc/64/27/24/561642724.db2.gz	INXMSNTZHADRLY-UHFFFAOYSA-N	-1	3	353.357	2.257	20	30		FEEDHM
Cc1ncc(CO)c(/C=N/Cc2cccc(NC(=O)[C@@H]3CCCO3)c2)c1[O-]	ZINC000299226944	553533448	/nfs/dbraw/zinc/53/34/48/553533448.db2.gz	XTECOEFWFCBDPV-NIQDBXHUSA-N	-1	3	369.421	2.325	20	30		FEEDHM
CS(=O)(=O)[N-]c1ccc(C(=O)N(CCC#N)Cc2ccccn2)cc1	ZINC000505201214	561667901	/nfs/dbraw/zinc/66/79/01/561667901.db2.gz	NOGBNYNRGGERLW-UHFFFAOYSA-N	-1	3	358.423	2.009	20	30		FEEDHM
Cc1cccc2[nH]c([C@H](C#N)C(=O)Nc3ccc4c(c3)C(=O)[N-]C4=O)nc21	ZINC000505426578	561670905	/nfs/dbraw/zinc/67/09/05/561670905.db2.gz	IKXORXSQFDAUHH-ZDUSSCGKSA-N	-1	3	359.345	2.001	20	30		FEEDHM
COc1ccc([O-])c(C(=O)N[C@@H](C#N)c2cc(OC)c(OC)c(OC)c2)c1	ZINC000505499476	561672199	/nfs/dbraw/zinc/67/21/99/561672199.db2.gz	CVSZZLBNCNPLEI-AWEZNQCLSA-N	-1	3	372.377	2.421	20	30		FEEDHM
COc1ccc([O-])c(C(=O)N[C@H](C#N)c2cc(OC)c(OC)c(OC)c2)c1	ZINC000505499477	561672323	/nfs/dbraw/zinc/67/23/23/561672323.db2.gz	CVSZZLBNCNPLEI-CQSZACIVSA-N	-1	3	372.377	2.421	20	30		FEEDHM
C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1	ZINC000328910374	553843261	/nfs/dbraw/zinc/84/32/61/553843261.db2.gz	NJQPDXVNLBRKNT-ODSJRVHRSA-N	-1	3	360.458	2.377	20	30		FEEDHM
CCn1ccnc1[C@H]1OCC[C@@H]1[N-]S(=O)(=O)CC1(C#N)CCCCC1	ZINC000329006966	553863512	/nfs/dbraw/zinc/86/35/12/553863512.db2.gz	YBUXWDAQZLUSKP-GJZGRUSLSA-N	-1	3	366.487	2.126	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCO[C@H](c2nccs2)C1	ZINC000329358800	553931456	/nfs/dbraw/zinc/93/14/56/553931456.db2.gz	HQFNZQWXBCUFDS-HNNXBMFYSA-N	-1	3	372.450	2.265	20	30		FEEDHM
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1	ZINC000329451745	553949833	/nfs/dbraw/zinc/94/98/33/553949833.db2.gz	OYYPDXBXICXPFK-CABZTGNLSA-N	-1	3	373.438	2.161	20	30		FEEDHM
Cc1nn2cc(S(=O)(=O)[N-]C3(C#N)CCCCC3)cnc2c1Cl	ZINC000329748615	553998950	/nfs/dbraw/zinc/99/89/50/553998950.db2.gz	FNZURKBNTXIHSQ-UHFFFAOYSA-N	-1	3	353.835	2.196	20	30		FEEDHM
CCn1c(=O)[n-]c(=O)c2c(C(=O)N[C@H]3CCC[C@@H]3C#N)cc(C(C)C)nc21	ZINC000332001338	554360883	/nfs/dbraw/zinc/36/08/83/554360883.db2.gz	WFFIBBWZCIOIHF-YPMHNXCESA-N	-1	3	369.425	2.062	20	30		FEEDHM
C=CCOc1ccc(C[N-]S(=O)(=O)c2cc(C(=O)OC)c(C)o2)cc1	ZINC000509589803	561806188	/nfs/dbraw/zinc/80/61/88/561806188.db2.gz	AUEKBQRVBMGVPW-UHFFFAOYSA-N	-1	3	365.407	2.418	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(-c2nc(-c3cccnc3)no2)ccc1F	ZINC000349806147	554743202	/nfs/dbraw/zinc/74/32/02/554743202.db2.gz	WJDYYSMFUXXFLK-UHFFFAOYSA-N	-1	3	360.370	2.402	20	30		FEEDHM
Cc1ccc(-c2cnc(C[N-]S(=O)(=O)c3ccc(C#N)nc3)o2)cc1	ZINC000365621769	555624962	/nfs/dbraw/zinc/62/49/62/555624962.db2.gz	FQSWASTWWOOAHO-UHFFFAOYSA-N	-1	3	354.391	2.395	20	30		FEEDHM
Cc1cn2c(n1)[C@H](CNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)CCC2	ZINC000366708749	555914714	/nfs/dbraw/zinc/91/47/14/555914714.db2.gz	LTXYXUQGNNDCME-HNNXBMFYSA-N	-1	3	367.453	2.407	20	30		FEEDHM
C=CCN(Cc1ccccc1)C(=O)C[N-]S(=O)(=O)c1ccccc1F	ZINC000515190634	561999983	/nfs/dbraw/zinc/99/99/83/561999983.db2.gz	KVMHDMNXNUJUND-UHFFFAOYSA-N	-1	3	362.426	2.319	20	30		FEEDHM
CCOC(=O)c1nc(C2CCN(C(=O)c3cccc(F)c3C#N)CC2)n[n-]1	ZINC000369360789	556579896	/nfs/dbraw/zinc/57/98/96/556579896.db2.gz	YQYMQZONLNKZJR-UHFFFAOYSA-N	-1	3	371.372	2.012	20	30		FEEDHM
CCOC(=O)c1nnc(C2CCN(C(=O)c3cccc(F)c3C#N)CC2)[n-]1	ZINC000369360789	556579897	/nfs/dbraw/zinc/57/98/97/556579897.db2.gz	YQYMQZONLNKZJR-UHFFFAOYSA-N	-1	3	371.372	2.012	20	30		FEEDHM
COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2ccc(C#N)cc2)s1	ZINC000516379051	562041392	/nfs/dbraw/zinc/04/13/92/562041392.db2.gz	UZKKLWGZDLNLPU-JTQLQIEISA-N	-1	3	350.421	2.446	20	30		FEEDHM
COC(=O)[C@@]12CCC[C@@H]1CN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C2	ZINC000369989031	556750417	/nfs/dbraw/zinc/75/04/17/556750417.db2.gz	XEJZLKILVJIMRH-JLTOFOAXSA-N	-1	3	371.437	2.010	20	30		FEEDHM
CS(=O)(=O)[N-]c1c[nH]nc1[C@H]1CCCN(c2ccc(C#N)cc2F)C1	ZINC000373550000	557716351	/nfs/dbraw/zinc/71/63/51/557716351.db2.gz	GBCTZCXURYNWNN-LBPRGKRZSA-N	-1	3	363.418	2.176	20	30		FEEDHM
Cc1cc(C)c(C#N)c(N2CCC[C@@H](c3n[nH]cc3[N-]S(C)(=O)=O)C2)n1	ZINC000373551733	557716672	/nfs/dbraw/zinc/71/66/72/557716672.db2.gz	LLBBJMJJVPGDAX-CYBMUJFWSA-N	-1	3	374.470	2.049	20	30		FEEDHM
Cc1cn2c(n1)CC[C@@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C2	ZINC000375370671	558016874	/nfs/dbraw/zinc/01/68/74/558016874.db2.gz	QQAKSPYFJPNHLH-GFCCVEGCSA-N	-1	3	350.831	2.010	20	30		FEEDHM
CC[C@@H](C)C[C@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C(=O)OC	ZINC000522006137	562188961	/nfs/dbraw/zinc/18/89/61/562188961.db2.gz	VLXUWFOWRGDSMR-BZNIZROVSA-N	-1	3	361.442	2.302	20	30		FEEDHM
CC(C)(C#N)CCS(=O)(=O)[N-][C@@H]1CCCN(c2ccccc2F)C1=O	ZINC000377841225	558433033	/nfs/dbraw/zinc/43/30/33/558433033.db2.gz	ZWRMAJTZZXKSOP-CQSZACIVSA-N	-1	3	367.446	2.180	20	30		FEEDHM
COCCC1(C[N-]S(=O)(=O)c2cc(Br)ccc2C#N)CC1	ZINC000416433784	559312516	/nfs/dbraw/zinc/31/25/16/559312516.db2.gz	QVLWOPOSWCTHOD-UHFFFAOYSA-N	-1	3	373.272	2.416	20	30		FEEDHM
C[C@H]1CCC[C@@]1(O)C[N-]S(=O)(=O)c1cc(Br)ccc1C#N	ZINC000416487435	559316942	/nfs/dbraw/zinc/31/69/42/559316942.db2.gz	JKWDYTHEXUENMM-IINYFYTJSA-N	-1	3	373.272	2.150	20	30		FEEDHM
CC[C@H](O)[C@H](CC)[N-]S(=O)(=O)c1cc(Br)ccc1C#N	ZINC000416497386	559317704	/nfs/dbraw/zinc/31/77/04/559317704.db2.gz	SUAOGEMVEXOSCO-RYUDHWBXSA-N	-1	3	361.261	2.149	20	30		FEEDHM
CC[C@@H](O)[C@@H](CC)[N-]S(=O)(=O)c1cc(Br)ccc1C#N	ZINC000416497387	559317752	/nfs/dbraw/zinc/31/77/52/559317752.db2.gz	SUAOGEMVEXOSCO-VXGBXAGGSA-N	-1	3	361.261	2.149	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)c1ccn(C)n1	ZINC000416560463	559321979	/nfs/dbraw/zinc/32/19/79/559321979.db2.gz	MZLILYNQSYUJCZ-SECBINFHSA-N	-1	3	358.345	2.350	20	30		FEEDHM
COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]CC2(C#N)CCC2)c1OC	ZINC000416669511	559328755	/nfs/dbraw/zinc/32/87/55/559328755.db2.gz	JLUWUXMRECBAFS-UHFFFAOYSA-N	-1	3	372.830	2.107	20	30		FEEDHM
COC(=O)[C@@H](CNC(=O)[C@]1(C#N)CC12CCCC2)Cc1ccc([O-])c(F)c1	ZINC000422047225	559562735	/nfs/dbraw/zinc/56/27/35/559562735.db2.gz	UXQAFGVIJGGBDP-JLTOFOAXSA-N	-1	3	374.412	2.453	20	30		FEEDHM
CCOC(=O)c1nc(C2CCN(c3c(C#N)cccc3[N+](=O)[O-])CC2)n[n-]1	ZINC000425259931	559693722	/nfs/dbraw/zinc/69/37/22/559693722.db2.gz	NFHJMIJORSXVID-UHFFFAOYSA-N	-1	3	370.369	2.145	20	30		FEEDHM
CCOC(=O)c1nnc(C2CCN(c3c(C#N)cccc3[N+](=O)[O-])CC2)[n-]1	ZINC000425259931	559693723	/nfs/dbraw/zinc/69/37/23/559693723.db2.gz	NFHJMIJORSXVID-UHFFFAOYSA-N	-1	3	370.369	2.145	20	30		FEEDHM
CCOC(=O)c1n[n-]c(C2CCN(c3c(C#N)cccc3[N+](=O)[O-])CC2)n1	ZINC000425259931	559693724	/nfs/dbraw/zinc/69/37/24/559693724.db2.gz	NFHJMIJORSXVID-UHFFFAOYSA-N	-1	3	370.369	2.145	20	30		FEEDHM
N#C[C@H]1CC[C@@H](NC(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)C1	ZINC000425665229	559713825	/nfs/dbraw/zinc/71/38/25/559713825.db2.gz	UVPRBCMRMCPTRV-CMPLNLGQSA-N	-1	3	366.418	2.080	20	30		FEEDHM
Cc1cc([N-]S(=O)(=O)c2cccc(C#N)c2)n(C2CCN(C)CC2)n1	ZINC000432346122	559856938	/nfs/dbraw/zinc/85/69/38/559856938.db2.gz	IJEHVZFWFXZMDS-UHFFFAOYSA-N	-1	3	359.455	2.131	20	30		FEEDHM
C[C@H](CC#N)NC(=O)Nc1ccc([N-]S(=O)(=O)Cc2ccccc2)cn1	ZINC000432824280	559865679	/nfs/dbraw/zinc/86/56/79/559865679.db2.gz	RRIQOBOKSZHLSZ-CYBMUJFWSA-N	-1	3	373.438	2.447	20	30		FEEDHM
C=CCN(C(=O)c1cccc2[n-]nnc21)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000527356979	562286454	/nfs/dbraw/zinc/28/64/54/562286454.db2.gz	KOHJOKPHTNKPFW-CYBMUJFWSA-N	-1	3	374.408	2.323	20	30		FEEDHM
C=CCN(C(=O)c1cccc2nn[n-]c21)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000527356979	562286455	/nfs/dbraw/zinc/28/64/55/562286455.db2.gz	KOHJOKPHTNKPFW-CYBMUJFWSA-N	-1	3	374.408	2.323	20	30		FEEDHM
C=CCN(C(=O)c1cccc2n[n-]nc21)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000527356979	562286456	/nfs/dbraw/zinc/28/64/56/562286456.db2.gz	KOHJOKPHTNKPFW-CYBMUJFWSA-N	-1	3	374.408	2.323	20	30		FEEDHM
C/C=C\C[C@@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C(=O)OCC	ZINC000433879118	559889455	/nfs/dbraw/zinc/88/94/55/559889455.db2.gz	KLUHKGDLRJCPCJ-HSBHDXMMSA-N	-1	3	356.831	2.388	20	30		FEEDHM
COC(=O)CC1(C[N-]S(=O)(=O)c2ccc(C#N)s2)CCCCC1	ZINC000435428192	559922748	/nfs/dbraw/zinc/92/27/48/559922748.db2.gz	PKJNFUUSVMPCLS-UHFFFAOYSA-N	-1	3	356.469	2.412	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCN(c3c(F)cccc3F)C2)s1	ZINC000435430555	559922750	/nfs/dbraw/zinc/92/27/50/559922750.db2.gz	CPMXITMJWZXYKA-JTQLQIEISA-N	-1	3	369.418	2.455	20	30		FEEDHM
CN(C)[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)s1)c1c(F)cccc1F	ZINC000435432621	559922907	/nfs/dbraw/zinc/92/29/07/559922907.db2.gz	JTCJBDLSEXLDLZ-ZDUSSCGKSA-N	-1	3	371.434	2.479	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]C[C@@H](c2ccco2)N2CCCC2)s1	ZINC000435433995	559922952	/nfs/dbraw/zinc/92/29/52/559922952.db2.gz	QFHOBGOVAAGNCT-ZDUSSCGKSA-N	-1	3	351.453	2.328	20	30		FEEDHM
CC(C)(CCC#N)CNC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1	ZINC000436689291	559949090	/nfs/dbraw/zinc/94/90/90/559949090.db2.gz	NHGPLXQKGBIULS-UHFFFAOYSA-N	-1	3	358.442	2.190	20	30		FEEDHM
N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)c2c([O-])cccc2O)n1	ZINC000436773568	559951515	/nfs/dbraw/zinc/95/15/15/559951515.db2.gz	SDZSVAOFCURPOE-UHFFFAOYSA-N	-1	3	354.753	3.061	20	30		FEEDHM
C[C@H](C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)N1CCCC[C@@H]1C	ZINC000443104691	560070687	/nfs/dbraw/zinc/07/06/87/560070687.db2.gz	NYSBTDHISMEYOJ-QWHCGFSZSA-N	-1	3	366.443	2.008	20	30		FEEDHM
COC(=O)[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1C#N)CC(C)C	ZINC000443259260	560076566	/nfs/dbraw/zinc/07/65/66/560076566.db2.gz	ZPPWCTWNJCFYTF-LLVKDONJSA-N	-1	3	358.847	2.325	20	30		FEEDHM
CC1(C)COC[C@@H]1[N-]S(=O)(=O)c1cccc(Br)c1C#N	ZINC000451985387	560342538	/nfs/dbraw/zinc/34/25/38/560342538.db2.gz	WRSYNIGWAUSNLQ-LBPRGKRZSA-N	-1	3	359.245	2.024	20	30		FEEDHM
CO[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cccc(Br)c1C#N	ZINC000451866419	560333334	/nfs/dbraw/zinc/33/33/34/560333334.db2.gz	BIKVGPDXEBUTSK-VXGBXAGGSA-N	-1	3	359.245	2.167	20	30		FEEDHM
C=C(C)CCNC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F	ZINC000455321555	560477894	/nfs/dbraw/zinc/47/78/94/560477894.db2.gz	JIKWUKZEFGIRLE-UHFFFAOYSA-N	-1	3	363.842	2.023	20	30		FEEDHM
C=C(CC)CNC(=O)[C@@H](CCSC)[N-]S(=O)(=O)c1ccccc1F	ZINC000456831371	560534053	/nfs/dbraw/zinc/53/40/53/560534053.db2.gz	UIYGJPOXPZLGBC-CQSZACIVSA-N	-1	3	374.503	2.308	20	30		FEEDHM
COC(=O)[C@@H](C[C@H]1CCCc2ccccc21)[N-]S(=O)(=O)CCCC#N	ZINC000460922584	560755989	/nfs/dbraw/zinc/75/59/89/560755989.db2.gz	BMHVMEGSPASRCB-NVXWUHKLSA-N	-1	3	364.467	2.261	20	30		FEEDHM
N#Cc1ccc(Oc2ccc(NC(=O)c3[nH]c(=O)[n-]c(=O)c3N)cc2)cc1	ZINC000468747125	560937772	/nfs/dbraw/zinc/93/77/72/560937772.db2.gz	JBWXMSXDMZWAJW-UHFFFAOYSA-N	-1	3	363.333	2.386	20	30		FEEDHM
C=CCn1c(=O)[n-]nc1S[C@H](C)C(=O)Nc1cccc(NC(C)=O)c1	ZINC000470830905	560990988	/nfs/dbraw/zinc/99/09/88/560990988.db2.gz	KMBIWNSZILSSPS-SNVBAGLBSA-N	-1	3	361.427	2.247	20	30		FEEDHM
C[C@@H](CC#N)N(C)C(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1	ZINC000472027704	561016240	/nfs/dbraw/zinc/01/62/40/561016240.db2.gz	AOZAITPWDMLDKJ-VIFPVBQESA-N	-1	3	363.361	2.451	20	30		FEEDHM
Cc1cc(C(C#N)=C([O-])c2ccc(C(=O)N3CCOCC3)cc2)nc(C)n1	ZINC000528920973	562353045	/nfs/dbraw/zinc/35/30/45/562353045.db2.gz	WUEXSMMOGURQEJ-QGZVFWFLSA-N	-1	3	364.405	2.056	20	30		FEEDHM
CCC1CCC([N-]S(=O)(=O)c2ccc(C#N)cc2F)(C(=O)OC)CC1	ZINC000531433744	562445825	/nfs/dbraw/zinc/44/58/25/562445825.db2.gz	WAWONRPMNGKYDE-UHFFFAOYSA-N	-1	3	368.430	2.488	20	30		FEEDHM
COc1ccccc1[C@H](CO)[N-]S(=O)(=O)c1ccc(Cl)cc1C#N	ZINC000532773658	562488261	/nfs/dbraw/zinc/48/82/61/562488261.db2.gz	HVXOHXKZLOKTCY-AWEZNQCLSA-N	-1	3	366.826	2.232	20	30		FEEDHM
N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CC1(O)Cc2ccccc2C1	ZINC000533551336	562512775	/nfs/dbraw/zinc/51/27/75/562512775.db2.gz	IITANEKZPRBGHW-UHFFFAOYSA-N	-1	3	362.838	2.020	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCc1cnc(C2CC2)nc1	ZINC000535898476	562570609	/nfs/dbraw/zinc/57/06/09/562570609.db2.gz	RZSNGFVLVSSCCA-UHFFFAOYSA-N	-1	3	365.437	2.235	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1C#N)[C@H]1CCCOC1	ZINC000569604098	568409697	/nfs/dbraw/zinc/40/96/97/568409697.db2.gz	XZFIWUPOMAOTGT-MNOVXSKESA-N	-1	3	373.272	2.414	20	30		FEEDHM
COc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c(OC)c1	ZINC000737072935	598918169	/nfs/dbraw/zinc/91/81/69/598918169.db2.gz	XMCPJUPCGVKFJE-UHFFFAOYSA-N	-1	3	350.338	2.008	20	30		FEEDHM
COc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c(OC)c1	ZINC000737072935	598918171	/nfs/dbraw/zinc/91/81/71/598918171.db2.gz	XMCPJUPCGVKFJE-UHFFFAOYSA-N	-1	3	350.338	2.008	20	30		FEEDHM
Cc1ccn(-c2ccc(C(=O)Nc3ccc(-c4nnn[n-]4)c(C#N)c3)cc2)n1	ZINC000737434847	598922603	/nfs/dbraw/zinc/92/26/03/598922603.db2.gz	DAODGBZUVZNHIV-UHFFFAOYSA-N	-1	3	370.376	2.485	20	30		FEEDHM
Cc1ccn(-c2ccc(C(=O)Nc3ccc(-c4nn[n-]n4)c(C#N)c3)cc2)n1	ZINC000737434847	598922605	/nfs/dbraw/zinc/92/26/05/598922605.db2.gz	DAODGBZUVZNHIV-UHFFFAOYSA-N	-1	3	370.376	2.485	20	30		FEEDHM
COCCN(Cc1ccc(C#N)cc1)c1ncc(-c2nnn[n-]2)cc1Cl	ZINC000737001575	598940051	/nfs/dbraw/zinc/94/00/51/598940051.db2.gz	CAELQLQJSAPAAC-UHFFFAOYSA-N	-1	3	369.816	2.440	20	30		FEEDHM
COCCN(Cc1ccc(C#N)cc1)c1ncc(-c2nn[n-]n2)cc1Cl	ZINC000737001575	598940053	/nfs/dbraw/zinc/94/00/53/598940053.db2.gz	CAELQLQJSAPAAC-UHFFFAOYSA-N	-1	3	369.816	2.440	20	30		FEEDHM
N#CCc1ccc(N[C@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)cc1	ZINC000737696950	598960183	/nfs/dbraw/zinc/96/01/83/598960183.db2.gz	BAEXOEKACXUKTQ-KRWDZBQOSA-N	-1	3	359.393	2.150	20	30		FEEDHM
N#CCc1ccc(N[C@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)cc1	ZINC000737696950	598960185	/nfs/dbraw/zinc/96/01/85/598960185.db2.gz	BAEXOEKACXUKTQ-KRWDZBQOSA-N	-1	3	359.393	2.150	20	30		FEEDHM
C#CCOc1ccccc1CNC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1	ZINC000735388248	598965384	/nfs/dbraw/zinc/96/53/84/598965384.db2.gz	VJBQTXGBDRYQPV-UHFFFAOYSA-N	-1	3	366.356	2.340	20	30		FEEDHM
C#CCOc1ccccc1CNC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1	ZINC000735388248	598965385	/nfs/dbraw/zinc/96/53/85/598965385.db2.gz	VJBQTXGBDRYQPV-UHFFFAOYSA-N	-1	3	366.356	2.340	20	30		FEEDHM
C=CC[C@@H](NC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1)c1ccncc1	ZINC000735409356	598969382	/nfs/dbraw/zinc/96/93/82/598969382.db2.gz	CZEDYLUBPCNNFY-CZUORRHYSA-N	-1	3	364.409	2.463	20	30		FEEDHM
C=CC[C@@H](NC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1)c1ccncc1	ZINC000735409356	598969389	/nfs/dbraw/zinc/96/93/89/598969389.db2.gz	CZEDYLUBPCNNFY-CZUORRHYSA-N	-1	3	364.409	2.463	20	30		FEEDHM
Cc1cc(C)n([C@@H](C)CC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)n1	ZINC000737255353	599191523	/nfs/dbraw/zinc/19/15/23/599191523.db2.gz	HWZMPOBBOKQVDW-LBPRGKRZSA-N	-1	3	350.386	2.142	20	30		FEEDHM
Cc1cc(C)n([C@@H](C)CC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)n1	ZINC000737255353	599191526	/nfs/dbraw/zinc/19/15/26/599191526.db2.gz	HWZMPOBBOKQVDW-LBPRGKRZSA-N	-1	3	350.386	2.142	20	30		FEEDHM
N#Cc1ccc(NC(=O)[C@@H]2C[C@]23CCOc2ccccc23)cc1-c1nnn[n-]1	ZINC000737716471	599192387	/nfs/dbraw/zinc/19/23/87/599192387.db2.gz	QZZVDHLGIQUWLT-JXFKEZNVSA-N	-1	3	372.388	2.417	20	30		FEEDHM
N#Cc1ccc(NC(=O)[C@@H]2C[C@]23CCOc2ccccc23)cc1-c1nn[n-]n1	ZINC000737716471	599192389	/nfs/dbraw/zinc/19/23/89/599192389.db2.gz	QZZVDHLGIQUWLT-JXFKEZNVSA-N	-1	3	372.388	2.417	20	30		FEEDHM
N#CC(C(=O)CSCC(=O)[O-])C(=O)Nc1ccc(Cl)cc1Cl	ZINC000740303419	597106125	/nfs/dbraw/zinc/10/61/25/597106125.db2.gz	JLAVXKQHIOGQTH-QMMMGPOBSA-N	-1	3	361.206	2.459	20	30		FEEDHM
C#CCOc1ccc(NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1	ZINC000819709863	599280154	/nfs/dbraw/zinc/28/01/54/599280154.db2.gz	RWMUJCMEARWZGP-UHFFFAOYSA-N	-1	3	366.356	2.340	20	30		FEEDHM
C#CCOc1ccc(NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1	ZINC000819709863	599280156	/nfs/dbraw/zinc/28/01/56/599280156.db2.gz	RWMUJCMEARWZGP-UHFFFAOYSA-N	-1	3	366.356	2.340	20	30		FEEDHM
CCn1c(=O)c2ccccc2nc1NN=C(C)c1ccc(-c2nnn[n-]2)cc1	ZINC000736713700	598273570	/nfs/dbraw/zinc/27/35/70/598273570.db2.gz	LVTJZJVNKAFAGD-UHFFFAOYSA-N	-1	3	374.408	2.433	20	30		FEEDHM
CCn1c(=O)c2ccccc2nc1NN=C(C)c1ccc(-c2nn[n-]n2)cc1	ZINC000736713700	598273571	/nfs/dbraw/zinc/27/35/71/598273571.db2.gz	LVTJZJVNKAFAGD-UHFFFAOYSA-N	-1	3	374.408	2.433	20	30		FEEDHM
CS(=O)(=O)Nc1cccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2)c1	ZINC000737168276	598296080	/nfs/dbraw/zinc/29/60/80/598296080.db2.gz	IRIYLAOEUQCDMM-JXMROGBWSA-N	-1	3	369.406	2.134	20	30		FEEDHM
CS(=O)(=O)Nc1cccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2)c1	ZINC000737168276	598296082	/nfs/dbraw/zinc/29/60/82/598296082.db2.gz	IRIYLAOEUQCDMM-JXMROGBWSA-N	-1	3	369.406	2.134	20	30		FEEDHM
CC(=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cnn(C)c1	ZINC000735451088	598313668	/nfs/dbraw/zinc/31/36/68/598313668.db2.gz	OQNWFUWBDXZCDF-UHFFFAOYSA-N	-1	3	350.308	2.455	20	30		FEEDHM
CC(=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cnn(C)c1	ZINC000735451088	598313670	/nfs/dbraw/zinc/31/36/70/598313670.db2.gz	OQNWFUWBDXZCDF-UHFFFAOYSA-N	-1	3	350.308	2.455	20	30		FEEDHM
COc1ccc(OC)c(C=NOCCOc2ccc(-c3nn[n-]n3)cc2)c1	ZINC000737108996	598471597	/nfs/dbraw/zinc/47/15/97/598471597.db2.gz	MTFLYXIXSJZEDB-UHFFFAOYSA-N	-1	3	369.381	2.313	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@H](COC(F)F)C1	ZINC000557124517	674437956	/nfs/dbraw/zinc/43/79/56/674437956.db2.gz	QCPNTWRIGUILLQ-LBPRGKRZSA-N	-1	3	353.369	2.296	20	30		FEEDHM
C#Cc1cccc(N(C(C)C)S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c1	ZINC000735389350	598594499	/nfs/dbraw/zinc/59/44/99/598594499.db2.gz	AGWXCNOEZIDJRC-UHFFFAOYSA-N	-1	3	367.434	2.452	20	30		FEEDHM
C#Cc1cccc(N(C(C)C)S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c1	ZINC000735389350	598594501	/nfs/dbraw/zinc/59/45/01/598594501.db2.gz	AGWXCNOEZIDJRC-UHFFFAOYSA-N	-1	3	367.434	2.452	20	30		FEEDHM
CCC[C@H](C#N)NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1	ZINC000736417478	598686327	/nfs/dbraw/zinc/68/63/27/598686327.db2.gz	SYYQLYJYTKQPGI-CQSZACIVSA-N	-1	3	363.381	2.476	20	30		FEEDHM
CCC[C@H](C#N)NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1	ZINC000736417478	598686329	/nfs/dbraw/zinc/68/63/29/598686329.db2.gz	SYYQLYJYTKQPGI-CQSZACIVSA-N	-1	3	363.381	2.476	20	30		FEEDHM
Cc1nc(SCC(=O)NCCCCC#N)c(-c2nnn[n-]2)c(C)c1C	ZINC000737484978	598748784	/nfs/dbraw/zinc/74/87/84/598748784.db2.gz	XFAVUNILFRFHMI-UHFFFAOYSA-N	-1	3	359.459	2.089	20	30		FEEDHM
Cc1nc(SCC(=O)NCCCCC#N)c(-c2nn[n-]n2)c(C)c1C	ZINC000737484978	598748785	/nfs/dbraw/zinc/74/87/85/598748785.db2.gz	XFAVUNILFRFHMI-UHFFFAOYSA-N	-1	3	359.459	2.089	20	30		FEEDHM
N#CCCCCNC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1	ZINC000737687889	598748828	/nfs/dbraw/zinc/74/88/28/598748828.db2.gz	NPZBNBXADGEIPD-UHFFFAOYSA-N	-1	3	366.381	2.462	20	30		FEEDHM
N#CCCCCNC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1	ZINC000737687889	598748829	/nfs/dbraw/zinc/74/88/29/598748829.db2.gz	NPZBNBXADGEIPD-UHFFFAOYSA-N	-1	3	366.381	2.462	20	30		FEEDHM
N#Cc1ccc(-n2nccc2NC(=O)c2sccc2-c2nnn[n-]2)cc1	ZINC000737710803	598809189	/nfs/dbraw/zinc/80/91/89/598809189.db2.gz	WKHIRBSZOQXHTK-UHFFFAOYSA-N	-1	3	362.378	2.238	20	30		FEEDHM
N#Cc1ccc(-n2nccc2NC(=O)c2sccc2-c2nn[n-]n2)cc1	ZINC000737710803	598809191	/nfs/dbraw/zinc/80/91/91/598809191.db2.gz	WKHIRBSZOQXHTK-UHFFFAOYSA-N	-1	3	362.378	2.238	20	30		FEEDHM
N#Cc1ccccc1SCC(=O)NCc1ccc(-c2nnn[n-]2)cc1	ZINC000822842341	599350520	/nfs/dbraw/zinc/35/05/20/599350520.db2.gz	CURZSXSMWVJRAG-UHFFFAOYSA-N	-1	3	350.407	2.147	20	30		FEEDHM
N#Cc1ccccc1SCC(=O)NCc1ccc(-c2nn[n-]n2)cc1	ZINC000822842341	599350525	/nfs/dbraw/zinc/35/05/25/599350525.db2.gz	CURZSXSMWVJRAG-UHFFFAOYSA-N	-1	3	350.407	2.147	20	30		FEEDHM
Cc1cc(-c2nnn[n-]2)cc(C)c1OS(=O)(=O)c1ccc(F)c(C#N)c1	ZINC000822138157	599360147	/nfs/dbraw/zinc/36/01/47/599360147.db2.gz	ZVIBQVRUBNBIIK-UHFFFAOYSA-N	-1	3	373.369	2.262	20	30		FEEDHM
Cc1cc(-c2nn[n-]n2)cc(C)c1OS(=O)(=O)c1ccc(F)c(C#N)c1	ZINC000822138157	599360149	/nfs/dbraw/zinc/36/01/49/599360149.db2.gz	ZVIBQVRUBNBIIK-UHFFFAOYSA-N	-1	3	373.369	2.262	20	30		FEEDHM
N#Cc1ccnc(N2CCN(c3cc(Cl)ccc3-c3nnn[n-]3)CC2)c1	ZINC000737727032	599402762	/nfs/dbraw/zinc/40/27/62/599402762.db2.gz	BYDXCJRLDQQZKK-UHFFFAOYSA-N	-1	3	366.816	2.113	20	30		FEEDHM
N#Cc1ccnc(N2CCN(c3cc(Cl)ccc3-c3nn[n-]n3)CC2)c1	ZINC000737727032	599402765	/nfs/dbraw/zinc/40/27/65/599402765.db2.gz	BYDXCJRLDQQZKK-UHFFFAOYSA-N	-1	3	366.816	2.113	20	30		FEEDHM
O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1ccc([N+](=O)[O-])cc1	ZINC000737804374	599459327	/nfs/dbraw/zinc/45/93/27/599459327.db2.gz	AYGAUMLIWDJYOZ-SREVYHEPSA-N	-1	3	361.321	2.319	20	30		FEEDHM
O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1ccc([N+](=O)[O-])cc1	ZINC000737804374	599459329	/nfs/dbraw/zinc/45/93/29/599459329.db2.gz	AYGAUMLIWDJYOZ-SREVYHEPSA-N	-1	3	361.321	2.319	20	30		FEEDHM
C#CCN1CCC(C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)CC1	ZINC000736080756	600209869	/nfs/dbraw/zinc/20/98/69/600209869.db2.gz	XNHQVDNHCAAIRJ-UHFFFAOYSA-N	-1	3	352.337	2.270	20	30		FEEDHM
C[C@@H]1CCCC[C@@H]1NC(=S)NN=Cc1ccc(-c2nnn[n-]2)cc1F	ZINC000820704304	607462980	/nfs/dbraw/zinc/46/29/80/607462980.db2.gz	NMMWSYSFWSNSMH-YGRLFVJLSA-N	-1	3	361.450	2.383	20	30		FEEDHM
C[C@@H]1CCCC[C@@H]1NC(=S)NN=Cc1ccc(-c2nn[n-]n2)cc1F	ZINC000820704304	607462982	/nfs/dbraw/zinc/46/29/82/607462982.db2.gz	NMMWSYSFWSNSMH-YGRLFVJLSA-N	-1	3	361.450	2.383	20	30		FEEDHM
C[C@H](C(=O)[O-])[C@H](NCCS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1	ZINC000826051986	601652076	/nfs/dbraw/zinc/65/20/76/601652076.db2.gz	FYYOZADEPNOOGC-KSSFIOAISA-N	-1	3	372.446	2.384	20	30		FEEDHM
N#C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1cccc(Cl)c1Cl	ZINC000826379805	607733754	/nfs/dbraw/zinc/73/37/54/607733754.db2.gz	CBCAZJGJHKYPBN-LLVKDONJSA-N	-1	3	362.180	2.496	20	30		FEEDHM
N#C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1cccc(Cl)c1Cl	ZINC000826379805	607733755	/nfs/dbraw/zinc/73/37/55/607733755.db2.gz	CBCAZJGJHKYPBN-LLVKDONJSA-N	-1	3	362.180	2.496	20	30		FEEDHM
Cc1sc(NC(=O)CN(CC#N)C2CCCC2)c(-c2nnn[n-]2)c1C	ZINC000822558976	606114772	/nfs/dbraw/zinc/11/47/72/606114772.db2.gz	UOBDGPOZXYMFPY-UHFFFAOYSA-N	-1	3	359.459	2.252	20	30		FEEDHM
Cc1sc(NC(=O)CN(CC#N)C2CCCC2)c(-c2nn[n-]n2)c1C	ZINC000822558976	606114773	/nfs/dbraw/zinc/11/47/73/606114773.db2.gz	UOBDGPOZXYMFPY-UHFFFAOYSA-N	-1	3	359.459	2.252	20	30		FEEDHM
N#C[C@@H](COC(=O)COc1cccc(-c2nnn[n-]2)c1)Cc1ccccc1	ZINC000822801612	606182152	/nfs/dbraw/zinc/18/21/52/606182152.db2.gz	LBSPBKQFKVFYBA-HNNXBMFYSA-N	-1	3	363.377	2.171	20	30		FEEDHM
N#C[C@@H](COC(=O)COc1cccc(-c2nn[n-]n2)c1)Cc1ccccc1	ZINC000822801612	606182153	/nfs/dbraw/zinc/18/21/53/606182153.db2.gz	LBSPBKQFKVFYBA-HNNXBMFYSA-N	-1	3	363.377	2.171	20	30		FEEDHM
Cn1cc(-c2nnn[n-]2)cc1C(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1	ZINC000822631727	606287840	/nfs/dbraw/zinc/28/78/40/606287840.db2.gz	GLKBTANEHUXGFF-OAHLLOKOSA-N	-1	3	363.425	2.497	20	30		FEEDHM
Cn1cc(-c2nn[n-]n2)cc1C(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1	ZINC000822631727	606287842	/nfs/dbraw/zinc/28/78/42/606287842.db2.gz	GLKBTANEHUXGFF-OAHLLOKOSA-N	-1	3	363.425	2.497	20	30		FEEDHM
N#C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1cccc(Cl)c1Cl	ZINC000822801735	606320477	/nfs/dbraw/zinc/32/04/77/606320477.db2.gz	NKAPLWLFZDYVDT-LLVKDONJSA-N	-1	3	362.180	2.496	20	30		FEEDHM
N#C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1cccc(Cl)c1Cl	ZINC000822801735	606320479	/nfs/dbraw/zinc/32/04/79/606320479.db2.gz	NKAPLWLFZDYVDT-LLVKDONJSA-N	-1	3	362.180	2.496	20	30		FEEDHM
CN(C)c1ccc(NC(=S)NN=Cc2ccc(-c3nnn[n-]3)s2)cc1	ZINC000821589571	606370265	/nfs/dbraw/zinc/37/02/65/606370265.db2.gz	UECJXPYLSPXDBF-UHFFFAOYSA-N	-1	3	372.483	2.315	20	30		FEEDHM
COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)N[C@@H](C#N)C(C)(C)C	ZINC000821701381	606434117	/nfs/dbraw/zinc/43/41/17/606434117.db2.gz	MMNBHJFPXYPNPJ-HNNXBMFYSA-N	-1	3	372.429	2.089	20	30		FEEDHM
COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)N[C@@H](C#N)C(C)(C)C	ZINC000821701381	606434118	/nfs/dbraw/zinc/43/41/18/606434118.db2.gz	MMNBHJFPXYPNPJ-HNNXBMFYSA-N	-1	3	372.429	2.089	20	30		FEEDHM
N#Cc1csc(C(=O)Nc2ccnn2-c2ccc(-c3nn[n-]n3)cc2)c1	ZINC000822845977	606511564	/nfs/dbraw/zinc/51/15/64/606511564.db2.gz	LAVXMXYLXHGACW-UHFFFAOYSA-N	-1	3	362.378	2.238	20	30		FEEDHM
N#CCCN(C(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1	ZINC000822806100	606557565	/nfs/dbraw/zinc/55/75/65/606557565.db2.gz	IWEZSSQWFFDDLB-UHFFFAOYSA-N	-1	3	350.357	2.495	20	30		FEEDHM
N#CCCN(C(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1	ZINC000822806100	606557566	/nfs/dbraw/zinc/55/75/66/606557566.db2.gz	IWEZSSQWFFDDLB-UHFFFAOYSA-N	-1	3	350.357	2.495	20	30		FEEDHM
CC(C)CN(CCC#N)CC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1	ZINC000820086618	606693965	/nfs/dbraw/zinc/69/39/65/606693965.db2.gz	CEOKJNVUUWKURU-UHFFFAOYSA-N	-1	3	361.837	2.330	20	30		FEEDHM
CC(C)CN(CCC#N)CC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1	ZINC000820086618	606693966	/nfs/dbraw/zinc/69/39/66/606693966.db2.gz	CEOKJNVUUWKURU-UHFFFAOYSA-N	-1	3	361.837	2.330	20	30		FEEDHM
COc1ccc(-c2nnn[n-]2)cc1NCc1nnc(-c2ccc(C#N)cc2)o1	ZINC000821765623	606703500	/nfs/dbraw/zinc/70/35/00/606703500.db2.gz	IFFFKNSGKHLONH-UHFFFAOYSA-N	-1	3	374.364	2.409	20	30		FEEDHM
COc1ccc(-c2nn[n-]n2)cc1NCc1nnc(-c2ccc(C#N)cc2)o1	ZINC000821765623	606703502	/nfs/dbraw/zinc/70/35/02/606703502.db2.gz	IFFFKNSGKHLONH-UHFFFAOYSA-N	-1	3	374.364	2.409	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2ccncc2Br)cc1-c1nnn[n-]1	ZINC000822829909	606957609	/nfs/dbraw/zinc/95/76/09/606957609.db2.gz	OSMOFFZQBBTUDT-UHFFFAOYSA-N	-1	3	370.170	2.148	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2ccncc2Br)cc1-c1nn[n-]n1	ZINC000822829909	606957611	/nfs/dbraw/zinc/95/76/11/606957611.db2.gz	OSMOFFZQBBTUDT-UHFFFAOYSA-N	-1	3	370.170	2.148	20	30		FEEDHM
N#Cc1ccc(F)cc1CSc1nc(N)c(C#N)cc1-c1nnn[n-]1	ZINC000822830169	607026835	/nfs/dbraw/zinc/02/68/35/607026835.db2.gz	WIWPAEALXOOQBC-UHFFFAOYSA-N	-1	3	352.358	2.019	20	30		FEEDHM
N#Cc1ccc(F)cc1CSc1nc(N)c(C#N)cc1-c1nn[n-]n1	ZINC000822830169	607026836	/nfs/dbraw/zinc/02/68/36/607026836.db2.gz	WIWPAEALXOOQBC-UHFFFAOYSA-N	-1	3	352.358	2.019	20	30		FEEDHM
C#Cc1cccc(NC(=O)CN(C)Cc2cc(F)ccc2-c2nnn[n-]2)c1	ZINC000819709567	607057887	/nfs/dbraw/zinc/05/78/87/607057887.db2.gz	JNRXRVJMLYJDOH-UHFFFAOYSA-N	-1	3	364.384	2.058	20	30		FEEDHM
C#Cc1cccc(NC(=O)CN(C)Cc2cc(F)ccc2-c2nn[n-]n2)c1	ZINC000819709567	607057889	/nfs/dbraw/zinc/05/78/89/607057889.db2.gz	JNRXRVJMLYJDOH-UHFFFAOYSA-N	-1	3	364.384	2.058	20	30		FEEDHM
N#Cc1ccccc1N1CCN(Cc2cc(F)ccc2-c2nn[n-]n2)CC1	ZINC000822842517	607063306	/nfs/dbraw/zinc/06/33/06/607063306.db2.gz	MCPQKNVLHDBGDG-UHFFFAOYSA-N	-1	3	363.400	2.200	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cn(C)nc1C(F)F	ZINC000823915178	607860966	/nfs/dbraw/zinc/86/09/66/607860966.db2.gz	TXYJNHKCONROGM-UHFFFAOYSA-N	-1	3	373.367	2.366	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cn(C)nc1C(F)F	ZINC000823915178	607860967	/nfs/dbraw/zinc/86/09/67/607860967.db2.gz	TXYJNHKCONROGM-UHFFFAOYSA-N	-1	3	373.367	2.366	20	30		FEEDHM
Cc1ccc(-c2nnn[n-]2)cc1OC[C@@H](O)COc1ccc(CC#N)cc1	ZINC000826278454	607877103	/nfs/dbraw/zinc/87/71/03/607877103.db2.gz	CWQCARWUKMFGHL-INIZCTEOSA-N	-1	3	365.393	2.060	20	30		FEEDHM
Cc1ccc(-c2nn[n-]n2)cc1OC[C@@H](O)COc1ccc(CC#N)cc1	ZINC000826278454	607877104	/nfs/dbraw/zinc/87/71/04/607877104.db2.gz	CWQCARWUKMFGHL-INIZCTEOSA-N	-1	3	365.393	2.060	20	30		FEEDHM
C#CC[C@@H](NS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1	ZINC000823839109	607937680	/nfs/dbraw/zinc/93/76/80/607937680.db2.gz	ZPOFTKKVJOZHBM-MRXNPFEDSA-N	-1	3	371.397	2.049	20	30		FEEDHM
C#CC[C@@H](NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1	ZINC000823839109	607937681	/nfs/dbraw/zinc/93/76/81/607937681.db2.gz	ZPOFTKKVJOZHBM-MRXNPFEDSA-N	-1	3	371.397	2.049	20	30		FEEDHM
N#Cc1cccc([C@H]2CN(c3nc4c(cc3-c3nnn[n-]3)CCC4)CCO2)c1	ZINC000826386671	608053415	/nfs/dbraw/zinc/05/34/15/608053415.db2.gz	NWBSPWHJNNZEQD-GOSISDBHSA-N	-1	3	373.420	2.200	20	30		FEEDHM
N#Cc1cccc([C@H]2CN(c3nc4c(cc3-c3nn[n-]n3)CCC4)CCO2)c1	ZINC000826386671	608053416	/nfs/dbraw/zinc/05/34/16/608053416.db2.gz	NWBSPWHJNNZEQD-GOSISDBHSA-N	-1	3	373.420	2.200	20	30		FEEDHM
N#Cc1cccc([C@H]2CN(C(=O)c3sccc3-c3nnn[n-]3)CCO2)c1	ZINC000826386346	608081297	/nfs/dbraw/zinc/08/12/97/608081297.db2.gz	ALBMSLXWHAYDDP-CQSZACIVSA-N	-1	3	366.406	2.014	20	30		FEEDHM
N#Cc1cccc([C@H]2CN(C(=O)c3sccc3-c3nn[n-]n3)CCO2)c1	ZINC000826386346	608081298	/nfs/dbraw/zinc/08/12/98/608081298.db2.gz	ALBMSLXWHAYDDP-CQSZACIVSA-N	-1	3	366.406	2.014	20	30		FEEDHM
N#CC1(C(=O)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)CCCCC1	ZINC000826379891	608086178	/nfs/dbraw/zinc/08/61/78/608086178.db2.gz	GFPKPCSXKFWBNT-MRXNPFEDSA-N	-1	3	366.425	2.241	20	30		FEEDHM
N#CC1(C(=O)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)CCCCC1	ZINC000826379891	608086179	/nfs/dbraw/zinc/08/61/79/608086179.db2.gz	GFPKPCSXKFWBNT-MRXNPFEDSA-N	-1	3	366.425	2.241	20	30		FEEDHM
C[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCC[C@@](C)(C#N)C1	ZINC000824046822	608125326	/nfs/dbraw/zinc/12/53/26/608125326.db2.gz	VSQPZMFXRYZFJK-DIFFPNOSSA-N	-1	3	373.848	2.473	20	30		FEEDHM
C[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCC[C@@](C)(C#N)C1	ZINC000824046822	608125327	/nfs/dbraw/zinc/12/53/27/608125327.db2.gz	VSQPZMFXRYZFJK-DIFFPNOSSA-N	-1	3	373.848	2.473	20	30		FEEDHM
COc1ccc(-c2nnn[n-]2)cc1CON=CC(=O)Nc1ccccc1	ZINC000826184635	608150531	/nfs/dbraw/zinc/15/05/31/608150531.db2.gz	FHFHTKVHWLDVJT-UHFFFAOYSA-N	-1	3	352.354	2.016	20	30		FEEDHM
COc1ccc(-c2nn[n-]n2)cc1CON=CC(=O)Nc1ccccc1	ZINC000826184635	608150533	/nfs/dbraw/zinc/15/05/33/608150533.db2.gz	FHFHTKVHWLDVJT-UHFFFAOYSA-N	-1	3	352.354	2.016	20	30		FEEDHM
COc1cc(-c2nnn[n-]2)ccc1CON=C(C)Cn1nc(C)cc1C	ZINC000826173100	608323658	/nfs/dbraw/zinc/32/36/58/608323658.db2.gz	NCXGXZZWJACFCW-UHFFFAOYSA-N	-1	3	355.402	2.281	20	30		FEEDHM
COc1cc(-c2nn[n-]n2)ccc1CON=C(C)Cn1nc(C)cc1C	ZINC000826173100	608323660	/nfs/dbraw/zinc/32/36/60/608323660.db2.gz	NCXGXZZWJACFCW-UHFFFAOYSA-N	-1	3	355.402	2.281	20	30		FEEDHM
N#Cc1ccc(C2=CCN(C(=O)c3ccc(-c4nnn[n-]4)cn3)CC2)cc1	ZINC000826384632	608483605	/nfs/dbraw/zinc/48/36/05/608483605.db2.gz	CQKHKFZVWSGPHW-UHFFFAOYSA-N	-1	3	357.377	2.063	20	30		FEEDHM
N#Cc1ccc(C2=CCN(C(=O)c3ccc(-c4nn[n-]n4)cn3)CC2)cc1	ZINC000826384632	608483606	/nfs/dbraw/zinc/48/36/06/608483606.db2.gz	CQKHKFZVWSGPHW-UHFFFAOYSA-N	-1	3	357.377	2.063	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@@H]1CCC[C@@H]1OC	ZINC000823910213	608537779	/nfs/dbraw/zinc/53/77/79/608537779.db2.gz	ZATFWXYJFAYHRL-IRXDYDNUSA-N	-1	3	370.457	2.379	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@@H]1CCC[C@@H]1OC	ZINC000823910213	608537780	/nfs/dbraw/zinc/53/77/80/608537780.db2.gz	ZATFWXYJFAYHRL-IRXDYDNUSA-N	-1	3	370.457	2.379	20	30		FEEDHM
CCC[C@H](C#N)NC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1	ZINC000825225082	608843703	/nfs/dbraw/zinc/84/37/03/608843703.db2.gz	KWJWUTHGGZCTPG-CQSZACIVSA-N	-1	3	366.381	2.461	20	30		FEEDHM
CCC[C@H](C#N)NC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1	ZINC000825225082	608843705	/nfs/dbraw/zinc/84/37/05/608843705.db2.gz	KWJWUTHGGZCTPG-CQSZACIVSA-N	-1	3	366.381	2.461	20	30		FEEDHM
C[C@H](C#N)Oc1ccccc1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1	ZINC000824034751	609164165	/nfs/dbraw/zinc/16/41/65/609164165.db2.gz	OMKHDQJJSCUDDS-GFCCVEGCSA-N	-1	3	363.381	2.479	20	30		FEEDHM
C[C@H](C#N)Oc1ccccc1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1	ZINC000824034751	609164166	/nfs/dbraw/zinc/16/41/66/609164166.db2.gz	OMKHDQJJSCUDDS-GFCCVEGCSA-N	-1	3	363.381	2.479	20	30		FEEDHM
Cc1cc(NC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)nn1CCC#N	ZINC000826270104	609273759	/nfs/dbraw/zinc/27/37/59/609273759.db2.gz	LFZJAOCAHRFNJJ-LBPRGKRZSA-N	-1	3	365.401	2.168	20	30		FEEDHM
Cc1cc(NC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)nn1CCC#N	ZINC000826270104	609273761	/nfs/dbraw/zinc/27/37/61/609273761.db2.gz	LFZJAOCAHRFNJJ-LBPRGKRZSA-N	-1	3	365.401	2.168	20	30		FEEDHM
N#Cc1c(F)cccc1-n1ccc(NC(=O)c2ccc(-c3nnn[n-]3)cc2)n1	ZINC000826383236	609289498	/nfs/dbraw/zinc/28/94/98/609289498.db2.gz	QRTAEPPSOZQNOM-UHFFFAOYSA-N	-1	3	374.339	2.315	20	30		FEEDHM
N#Cc1c(F)cccc1-n1ccc(NC(=O)c2ccc(-c3nn[n-]n3)cc2)n1	ZINC000826383236	609289500	/nfs/dbraw/zinc/28/95/00/609289500.db2.gz	QRTAEPPSOZQNOM-UHFFFAOYSA-N	-1	3	374.339	2.315	20	30		FEEDHM
O=C(C#Cc1ccccc1)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1	ZINC000826396579	609292907	/nfs/dbraw/zinc/29/29/07/609292907.db2.gz	DCPLTIZTSHQSIM-UHFFFAOYSA-N	-1	3	373.351	2.182	20	30		FEEDHM
C[C@H](C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)N1CCc2ccccc21	ZINC000824045059	609383138	/nfs/dbraw/zinc/38/31/38/609383138.db2.gz	FIGSTKCRAZSJEN-GFCCVEGCSA-N	-1	3	359.393	2.128	20	30		FEEDHM
C[C@H](C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)N1CCc2ccccc21	ZINC000824045059	609383143	/nfs/dbraw/zinc/38/31/43/609383143.db2.gz	FIGSTKCRAZSJEN-GFCCVEGCSA-N	-1	3	359.393	2.128	20	30		FEEDHM
CC(=NNCCOC(C)C)c1cnn(-c2ccc(-c3nn[n-]n3)cc2)c1C	ZINC000823953574	609416347	/nfs/dbraw/zinc/41/63/47/609416347.db2.gz	HRJDEYZTLQYICK-UHFFFAOYSA-N	-1	3	368.445	2.099	20	30		FEEDHM
N#C[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1c(Cl)cccc1Cl	ZINC000826380152	609456819	/nfs/dbraw/zinc/45/68/19/609456819.db2.gz	PGQSGQJDPDHAEO-LLVKDONJSA-N	-1	3	362.180	2.496	20	30		FEEDHM
N#C[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1c(Cl)cccc1Cl	ZINC000826380152	609456821	/nfs/dbraw/zinc/45/68/21/609456821.db2.gz	PGQSGQJDPDHAEO-LLVKDONJSA-N	-1	3	362.180	2.496	20	30		FEEDHM
N#CCCCNC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1	ZINC000826381797	609516292	/nfs/dbraw/zinc/51/62/92/609516292.db2.gz	ZIUWYKYTBJJFCK-UHFFFAOYSA-N	-1	3	362.393	2.479	20	30		FEEDHM
O=C(OCC#Cc1ccccc1Cl)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1	ZINC000826462724	609635213	/nfs/dbraw/zinc/63/52/13/609635213.db2.gz	GUSRBZIZJQLMQS-INIZCTEOSA-N	-1	3	368.780	2.148	20	30		FEEDHM
O=C(OCC#Cc1ccccc1Cl)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1	ZINC000826462724	609635215	/nfs/dbraw/zinc/63/52/15/609635215.db2.gz	GUSRBZIZJQLMQS-INIZCTEOSA-N	-1	3	368.780	2.148	20	30		FEEDHM
C=CC[C@H]1N(C(=O)C[N-]S(=O)(=O)c2c(C)noc2C)CCCC1(C)C	ZINC000562200205	674728924	/nfs/dbraw/zinc/72/89/24/674728924.db2.gz	ACDIMWDEYMGAIO-CQSZACIVSA-N	-1	3	369.487	2.163	20	30		FEEDHM
COC(=O)c1c(F)cccc1S(=O)(=O)[N-]CCc1cccc(C#N)c1	ZINC000563788655	674939164	/nfs/dbraw/zinc/93/91/64/674939164.db2.gz	VCKNSPMDCMGSCZ-UHFFFAOYSA-N	-1	3	362.382	2.005	20	30		FEEDHM
CC(C)(C(=O)N[C@H]1CCN([O-])C1=O)c1csc(-c2cccs2)n1	ZINC000816695215	675073720	/nfs/dbraw/zinc/07/37/20/675073720.db2.gz	XJLGPUAPVSVQRX-VIFPVBQESA-N	-1	3	351.453	2.256	20	30		FEEDHM
C[C@H](Cc1ccc(Br)cc1)C(=O)N[C@H]1CCCN([O-])C1=O	ZINC000816759297	675078422	/nfs/dbraw/zinc/07/84/22/675078422.db2.gz	JVGOPVIQVKGGNI-MFKMUULPSA-N	-1	3	355.232	2.124	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)NCc2cccc(F)c2)ccc1F	ZINC000045362578	670203536	/nfs/dbraw/zinc/20/35/36/670203536.db2.gz	NPEBYIYHHBEEBR-UHFFFAOYSA-N	-1	3	366.389	2.359	20	30		FEEDHM
N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1ccc2nncn2c1	ZINC000113653323	670886430	/nfs/dbraw/zinc/88/64/30/670886430.db2.gz	OJAZHAMTNBBWHC-NSHDSACASA-N	-1	3	357.732	2.483	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H](C)[C@H](C)C2)ccc1F	ZINC000132125963	672095082	/nfs/dbraw/zinc/09/50/82/672095082.db2.gz	VDTBUFDDYVSUFB-QWHCGFSZSA-N	-1	3	354.447	2.408	20	30		FEEDHM
COC(=O)c1ccc(F)c(S(=O)(=O)[N-]Cc2ccc(C#N)cc2F)c1	ZINC000170940584	672327498	/nfs/dbraw/zinc/32/74/98/672327498.db2.gz	VZJHUERVXFGVNF-UHFFFAOYSA-N	-1	3	366.345	2.102	20	30		FEEDHM
COC(=O)c1cc(C#N)ccc1S(=O)(=O)[N-]CC(C)(C)C(F)(F)F	ZINC000593591445	672953048	/nfs/dbraw/zinc/95/30/48/672953048.db2.gz	IUZRVMDMJWMVRZ-UHFFFAOYSA-N	-1	3	364.345	2.212	20	30		FEEDHM
CCC[C@@H](C#N)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1	ZINC000726532797	673128119	/nfs/dbraw/zinc/12/81/19/673128119.db2.gz	RLIZFGPLYBXMQE-LBPRGKRZSA-N	-1	3	355.435	2.325	20	30		FEEDHM
CCC[C@@H]1CCCC[C@@H]1NC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000728262414	673196675	/nfs/dbraw/zinc/19/66/75/673196675.db2.gz	FWQKCCJHOUCIJF-HIFRSBDPSA-N	-1	3	363.483	2.200	20	30		FEEDHM
N#CCCN(CC1CC1)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1	ZINC000728870566	673213536	/nfs/dbraw/zinc/21/35/36/673213536.db2.gz	QRUUKPGXWKVXEU-UHFFFAOYSA-N	-1	3	365.430	2.032	20	30		FEEDHM
Cc1ccsc1[C@H](CO)NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C	ZINC000538891356	673465595	/nfs/dbraw/zinc/46/55/95/673465595.db2.gz	QOSVATRUJGADMT-HNNXBMFYSA-N	-1	3	359.451	2.428	20	30		FEEDHM
C=CC[C@H](CO)C[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)OC	ZINC000539222173	673479238	/nfs/dbraw/zinc/47/92/38/673479238.db2.gz	MMUXFMWDRNKLJK-NSHDSACASA-N	-1	3	369.464	2.151	20	30		FEEDHM
O=S(=O)([N-]CC[C@@H](O)C(F)(F)F)c1ccc(C(F)(F)F)cc1F	ZINC000542702113	673598546	/nfs/dbraw/zinc/59/85/46/673598546.db2.gz	PAOIKRFLAYKYPM-SECBINFHSA-N	-1	3	369.258	2.436	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCC[C@H]([S@](C)=O)C1	ZINC000598766879	673609709	/nfs/dbraw/zinc/60/97/09/673609709.db2.gz	SRUHXNLDKCNSLN-JXQWACKNSA-N	-1	3	363.483	2.014	20	30		FEEDHM
CCOC(=O)[C@@H](Cc1cccc(Cl)c1)[N-]S(=O)(=O)CCCCC#N	ZINC000546761758	673816256	/nfs/dbraw/zinc/81/62/56/673816256.db2.gz	NHWKASGJLVECHX-OAHLLOKOSA-N	-1	3	372.874	2.427	20	30		FEEDHM
Cc1nnc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)s1	ZINC000548819112	673998166	/nfs/dbraw/zinc/99/81/66/673998166.db2.gz	AOXJYOBNULXYHF-UHFFFAOYSA-N	-1	3	362.358	2.216	20	30		FEEDHM
N#C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1	ZINC000819898612	675321332	/nfs/dbraw/zinc/32/13/32/675321332.db2.gz	YLHAAWPWLDPCPG-DTWKUNHWSA-N	-1	3	374.216	2.328	20	30		FEEDHM
CC(C)c1c(C(=O)N[C@@H]2CCN([O-])C2=O)cnn1-c1ccccc1Cl	ZINC000820144342	675338933	/nfs/dbraw/zinc/33/89/33/675338933.db2.gz	TYQSIXHTZBTVCE-CYBMUJFWSA-N	-1	3	362.817	2.369	20	30		FEEDHM
C=C[C@H](C)NC(=O)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1	ZINC000823883123	675575552	/nfs/dbraw/zinc/57/55/52/675575552.db2.gz	JSMHRWGYBZKQGX-VIFPVBQESA-N	-1	3	358.793	2.402	20	30		FEEDHM
CCN(CCC#N)C(=O)CSc1cccc(Cl)c1-c1nnn[n-]1	ZINC000825419977	675652315	/nfs/dbraw/zinc/65/23/15/675652315.db2.gz	WZXWWHSDWQTGHV-UHFFFAOYSA-N	-1	3	350.835	2.374	20	30		FEEDHM
CCN(CCC#N)C(=O)CSc1cccc(Cl)c1-c1nn[n-]n1	ZINC000825419977	675652317	/nfs/dbraw/zinc/65/23/17/675652317.db2.gz	WZXWWHSDWQTGHV-UHFFFAOYSA-N	-1	3	350.835	2.374	20	30		FEEDHM
CCCCC[C@H]([N-]S(=O)(=O)Cc1ccc(CC#N)cc1)C(=O)OC	ZINC000827326910	675748521	/nfs/dbraw/zinc/74/85/21/675748521.db2.gz	RBGOFKZCFGFWCR-INIZCTEOSA-N	-1	3	352.456	2.294	20	30		FEEDHM
COC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(C#N)s1)c1cccs1	ZINC000619548055	676384313	/nfs/dbraw/zinc/38/43/13/676384313.db2.gz	PQMPIIARYZTRHT-JTQLQIEISA-N	-1	3	356.450	2.264	20	30		FEEDHM
C[C@H](CC(=O)OCC1(C)CCC1)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000764127929	680800857	/nfs/dbraw/zinc/80/08/57/680800857.db2.gz	CMCBIIGYGMGHEO-GFCCVEGCSA-N	-1	3	350.440	2.237	20	30		FEEDHM
Cn1nncc1C=NNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1	ZINC000751134217	680155494	/nfs/dbraw/zinc/15/54/94/680155494.db2.gz	VHPVZSBEXBJFHK-UHFFFAOYSA-N	-1	3	356.411	2.062	20	30		FEEDHM
CC(C)(C)NS(=O)(=O)c1ccc(N=NCc2ccc([O-])c(F)c2)nc1	ZINC000755636141	680425661	/nfs/dbraw/zinc/42/56/61/680425661.db2.gz	MCQMZIDKPFNCIH-UHFFFAOYSA-N	-1	3	366.418	2.449	20	30		FEEDHM
CC(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CC[C@@H](CC#N)C2)ccc1F	ZINC000836795671	680515143	/nfs/dbraw/zinc/51/51/43/680515143.db2.gz	IJNWMTPBXAHQMI-JSGCOSHPSA-N	-1	3	367.446	2.325	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H](C)[C@@H](C)[C@@H]2C)ccc1F	ZINC000841360815	680874659	/nfs/dbraw/zinc/87/46/59/680874659.db2.gz	MENOXLBLVSQWDW-XQQFMLRXSA-N	-1	3	354.447	2.407	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H](C)[C@H](C)[C@@H]2C)ccc1F	ZINC000841360810	680874688	/nfs/dbraw/zinc/87/46/88/680874688.db2.gz	MENOXLBLVSQWDW-AVGNSLFASA-N	-1	3	354.447	2.407	20	30		FEEDHM
COc1cc(C#N)ccc1COC(=O)c1ccc([N-]S(C)(=O)=O)cc1	ZINC000766871173	680890892	/nfs/dbraw/zinc/89/08/92/680890892.db2.gz	ZRXCQXDSBYXZAA-UHFFFAOYSA-N	-1	3	360.391	2.295	20	30		FEEDHM
CCn1cncc1C=Nn1c(=S)[n-]nc1[C@H]1COc2ccccc2O1	ZINC000841609308	680903464	/nfs/dbraw/zinc/90/34/64/680903464.db2.gz	VYZTYKUXRBCEJG-CQSZACIVSA-N	-1	3	356.411	2.178	20	30		FEEDHM
N#CC1(CS(=O)(=O)[N-]C(=O)c2cccc(CN3CCCCC3)c2)CC1	ZINC000842332821	680939336	/nfs/dbraw/zinc/93/93/36/680939336.db2.gz	BJOGEOQAWJXJSP-UHFFFAOYSA-N	-1	3	361.467	2.036	20	30		FEEDHM
C#CCN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C1CCCCC1	ZINC000769728739	680992938	/nfs/dbraw/zinc/99/29/38/680992938.db2.gz	STXQAMLTSBXHMY-UHFFFAOYSA-N	-1	3	350.440	2.172	20	30		FEEDHM
CSc1nc(NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)n[n-]1	ZINC000847408330	681374941	/nfs/dbraw/zinc/37/49/41/681374941.db2.gz	VWZCGABQCUSNTD-JTQLQIEISA-N	-1	3	368.463	2.442	20	30		FEEDHM
O=C(N[C@@H]1CCCN([O-])C1=O)c1nc2ccccc2cc1Br	ZINC000848131872	681478069	/nfs/dbraw/zinc/47/80/69/681478069.db2.gz	FGIRAMPLIKSLNW-GFCCVEGCSA-N	-1	3	364.199	2.107	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)OCc2conc2CC)ccc1F	ZINC000848701090	681605594	/nfs/dbraw/zinc/60/55/94/681605594.db2.gz	XWSPZXZIPKZAJQ-UHFFFAOYSA-N	-1	3	368.386	2.197	20	30		FEEDHM
N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@]23OCCC[C@H]2C3(F)F)c1	ZINC000849458913	681745328	/nfs/dbraw/zinc/74/53/28/681745328.db2.gz	FZBDIFVMSQLTJF-OLZOCXBDSA-N	-1	3	362.785	2.304	20	30		FEEDHM
C#CCCCCCC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1	ZINC000779938537	681773317	/nfs/dbraw/zinc/77/33/17/681773317.db2.gz	FOIBLEDRHYNYTA-UHFFFAOYSA-N	-1	3	362.904	2.380	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)OCC2(CC#N)CC2)ccc1F	ZINC000849678224	681781178	/nfs/dbraw/zinc/78/11/78/681781178.db2.gz	ALTKDPISTVDCLI-UHFFFAOYSA-N	-1	3	352.387	2.141	20	30		FEEDHM
CC[C@@H](C#N)OC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1	ZINC000781161308	681906231	/nfs/dbraw/zinc/90/62/31/681906231.db2.gz	YKQIOOUHQZQPCU-JTQLQIEISA-N	-1	3	351.359	2.414	20	30		FEEDHM
CC(C)(C#N)CS(=O)(=O)[N-][C@@H]1CCCN(c2ccccc2Cl)C1=O	ZINC000914182453	685497774	/nfs/dbraw/zinc/49/77/74/685497774.db2.gz	SGRRUUXUIXMDLV-CYBMUJFWSA-N	-1	3	369.874	2.305	20	30		FEEDHM
C[C@H](CC(=O)OC[C@H]1CCC1(F)F)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000851316168	682049040	/nfs/dbraw/zinc/04/90/40/682049040.db2.gz	HMKYITDRQMIXKT-GHMZBOCLSA-N	-1	3	372.393	2.092	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)OC[C@@H]2CCO[C@H](C)C2)ccc1F	ZINC000782697850	682074457	/nfs/dbraw/zinc/07/44/57/682074457.db2.gz	UHAOWTSDFXKIET-CHWSQXEVSA-N	-1	3	371.430	2.262	20	30		FEEDHM
Cc1cc(=O)[n-]c(NN=Cc2c(Cl)cccc2N2CCN(C)CC2)n1	ZINC000915932115	685519750	/nfs/dbraw/zinc/51/97/50/685519750.db2.gz	LBVHYIANXSVDRC-UHFFFAOYSA-N	-1	3	360.849	2.342	20	30		FEEDHM
C#C[C@@H]([N-]S(=O)(=O)c1ccc(Br)s1)C1CCOCC1	ZINC000851830272	682151679	/nfs/dbraw/zinc/15/16/79/682151679.db2.gz	ZPNOWCFVEBILPW-SNVBAGLBSA-N	-1	3	364.286	2.217	20	30		FEEDHM
Cc1cc(C#N)cc(C)c1CS(=O)(=O)[N-]C[C@]12OCCC[C@H]1C2(F)F	ZINC000917389068	685531747	/nfs/dbraw/zinc/53/17/47/685531747.db2.gz	INERBKSVDNLUMX-CVEARBPZSA-N	-1	3	370.421	2.409	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)OCc2ccc(F)cn2)ccc1F	ZINC000787636125	682469897	/nfs/dbraw/zinc/46/98/97/682469897.db2.gz	UQFGMPLKECXPLG-UHFFFAOYSA-N	-1	3	368.361	2.181	20	30		FEEDHM
C=CCCO[N-]C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1	ZINC000856030757	682736303	/nfs/dbraw/zinc/73/63/03/682736303.db2.gz	PXGSTAJEIITFHJ-OAHLLOKOSA-N	-1	3	352.456	2.020	20	30		FEEDHM
CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N1[C@H](C)C[C@@H]1C	ZINC000792531285	682818941	/nfs/dbraw/zinc/81/89/41/682818941.db2.gz	OWRXFLFBONUPHB-GUTXKFCHSA-N	-1	3	363.483	2.149	20	30		FEEDHM
CC(C)[C@](C)(C#N)NC(=O)COC(=O)c1cc([O-])cc(Br)c1	ZINC000860200406	683214887	/nfs/dbraw/zinc/21/48/87/683214887.db2.gz	BDGDHTULPNDRSB-HNNXBMFYSA-N	-1	3	369.215	2.366	20	30		FEEDHM
C[C@H](CC(=O)OCCC(C)(F)F)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000797227414	683233261	/nfs/dbraw/zinc/23/32/61/683233261.db2.gz	SLXYJUZIGVXNJM-SNVBAGLBSA-N	-1	3	360.382	2.092	20	30		FEEDHM
CCC(C#N)(CC)C(=O)[N-]N1C(=O)c2ccc(Br)cc2C1=O	ZINC000862141118	683536385	/nfs/dbraw/zinc/53/63/85/683536385.db2.gz	GFOXPEYWAMQGNU-UHFFFAOYSA-N	-1	3	364.199	2.406	20	30		FEEDHM
C=CCOCC(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21	ZINC000871315196	684805117	/nfs/dbraw/zinc/80/51/17/684805117.db2.gz	YEMBABBEGIMTLY-LBPRGKRZSA-N	-1	3	356.344	2.388	20	30		FEEDHM
Cc1cccc(C#N)c1S(=O)(=O)[N-][C@H](c1cnn(C)c1)C(F)(F)F	ZINC000872479717	684960731	/nfs/dbraw/zinc/96/07/31/684960731.db2.gz	OYCMGWIVCYNIKX-CYBMUJFWSA-N	-1	3	358.345	2.182	20	30		FEEDHM
C#CCC1(O)CCN(C(=O)NCc2ccc([O-])c(Br)c2)CC1	ZINC000883532508	687660714	/nfs/dbraw/zinc/66/07/14/687660714.db2.gz	SOFBTQPGFKTSQG-UHFFFAOYSA-N	-1	3	367.243	2.215	20	30		FEEDHM
COCCn1cc(C(=O)N([O-])Cc2ccccc2Cl)c(=O)cc1C	ZINC000904193035	691011543	/nfs/dbraw/zinc/01/15/43/691011543.db2.gz	JNJJTNIIZDDTJW-UHFFFAOYSA-N	-1	3	350.802	2.488	20	30		FEEDHM
C=CCC[C@H](NC(=O)NCC1(N2CCSCC2)CCCC1)C(=O)[O-]	ZINC000908853116	691741048	/nfs/dbraw/zinc/74/10/48/691741048.db2.gz	YTIVUCLAFMEBCP-AWEZNQCLSA-N	-1	3	355.504	2.067	20	30		FEEDHM
COc1ccccc1CCNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C	ZINC000015536761	539619468	/nfs/dbraw/zinc/61/94/68/539619468.db2.gz	XWOVEGJQYFMTEU-UHFFFAOYSA-N	-1	3	353.422	2.164	20	30		FEEDHM
C=CCN(Cc1cccs1)S(=O)(=O)c1[n-]ncc1C(=O)OCC	ZINC000055292212	540644171	/nfs/dbraw/zinc/64/41/71/540644171.db2.gz	HPTQIFVJIQUEGT-UHFFFAOYSA-N	-1	3	355.441	2.025	20	30		FEEDHM
C=CCN(Cc1cccs1)S(=O)(=O)c1n[n-]cc1C(=O)OCC	ZINC000055292212	540644175	/nfs/dbraw/zinc/64/41/75/540644175.db2.gz	HPTQIFVJIQUEGT-UHFFFAOYSA-N	-1	3	355.441	2.025	20	30		FEEDHM
COc1ccc(Br)cc1S(=O)(=O)[N-][C@H]1CCC[C@@H]1C#N	ZINC000061890903	541141401	/nfs/dbraw/zinc/14/14/01/541141401.db2.gz	MAEWFNZOKBZBQS-KOLCDFICSA-N	-1	3	359.245	2.428	20	30		FEEDHM
COc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CCC[C@H]1C#N	ZINC000061890904	541141619	/nfs/dbraw/zinc/14/16/19/541141619.db2.gz	MAEWFNZOKBZBQS-GXSJLCMTSA-N	-1	3	359.245	2.428	20	30		FEEDHM
Cc1ccc([O-])c[n+]1C(C(=O)c1ccc2c(c1)OCO2)C(=S)[N-]C1CC1	ZINC000068139095	541554560	/nfs/dbraw/zinc/55/45/60/541554560.db2.gz	JRQVISZNXTYRFN-UHFFFAOYSA-O	-1	3	371.438	2.408	20	30		FEEDHM
COc1ccccc1[C@H]([N-]S(=O)(=O)CCCCC#N)c1noc(C)n1	ZINC000072994216	541906751	/nfs/dbraw/zinc/90/67/51/541906751.db2.gz	VSNSBXYZWYEPQH-HNNXBMFYSA-N	-1	3	364.427	2.089	20	30		FEEDHM
Cc1cc([N-]C(=O)[C@H](C)N2CCN([C@H](C#N)c3ccccc3)CC2)on1	ZINC000078454302	542462389	/nfs/dbraw/zinc/46/23/89/542462389.db2.gz	YEJJJLQQSAYABE-DOTOQJQBSA-N	-1	3	353.426	2.193	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1ccc([N+](=O)[O-])cc1	ZINC000055797722	221074984	/nfs/dbraw/zinc/07/49/84/221074984.db2.gz	JCFWVDREKXTTFK-UHFFFAOYSA-N	-1	3	354.366	2.021	20	30		FEEDHM
CC[C@H](C#N)NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C(C)(C)C)c1	ZINC000102351900	543066310	/nfs/dbraw/zinc/06/63/10/543066310.db2.gz	VFQNMVJIMUHUTO-LLVKDONJSA-N	-1	3	357.863	2.449	20	30		FEEDHM
Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1cc(-c2nccn2C)[n-]n1	ZINC000119407426	543667128	/nfs/dbraw/zinc/66/71/28/543667128.db2.gz	UIAOAOVAKSGKPC-UHFFFAOYSA-N	-1	3	366.429	2.109	20	30		FEEDHM
Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1cc(-c2nccn2C)n[n-]1	ZINC000119407426	543667132	/nfs/dbraw/zinc/66/71/32/543667132.db2.gz	UIAOAOVAKSGKPC-UHFFFAOYSA-N	-1	3	366.429	2.109	20	30		FEEDHM
COc1ccc([C@@H](C#N)N2CCN(C(=O)c3ccccc3[O-])CC2)cc1	ZINC000123515726	543766664	/nfs/dbraw/zinc/76/66/64/543766664.db2.gz	IQZRFKDTUSAILN-GOSISDBHSA-N	-1	3	351.406	2.423	20	30		FEEDHM
C[C@@H](C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)CN1CCCCC1	ZINC000124328263	543814242	/nfs/dbraw/zinc/81/42/42/543814242.db2.gz	TZUBGGNJAYIDJA-LBPRGKRZSA-N	-1	3	357.426	2.237	20	30		FEEDHM
CN(C)Cc1cccc(C[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)c1	ZINC000124207670	543806727	/nfs/dbraw/zinc/80/67/27/543806727.db2.gz	ZBMXQHHPOCBDHF-UHFFFAOYSA-N	-1	3	365.405	2.377	20	30		FEEDHM
CCN(CC#N)C(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1	ZINC000127974385	544025428	/nfs/dbraw/zinc/02/54/28/544025428.db2.gz	OTSJORWGWCCISF-UHFFFAOYSA-N	-1	3	369.493	2.274	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)[C@@H]1COc2ccccc21	ZINC000128690953	544067147	/nfs/dbraw/zinc/06/71/47/544067147.db2.gz	DWPIPWSSMCDILA-KSSFIOAISA-N	-1	3	365.433	2.477	20	30		FEEDHM
C=CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc([O-])c2F)cc1	ZINC000129662973	544122155	/nfs/dbraw/zinc/12/21/55/544122155.db2.gz	ZBPCIQSVPGLRQC-UHFFFAOYSA-N	-1	3	350.371	2.248	20	30		FEEDHM
CN(CC(=O)N(C)C1(C#N)CCCCC1)Cc1nc2ccsc2c(=O)[n-]1	ZINC000131552116	544195376	/nfs/dbraw/zinc/19/53/76/544195376.db2.gz	UCZZPAKCVDQQJT-UHFFFAOYSA-N	-1	3	373.482	2.101	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc(-c2cccnc2)[nH]n1	ZINC000132055956	544216947	/nfs/dbraw/zinc/21/69/47/544216947.db2.gz	SEAVUIOFKDADLK-UHFFFAOYSA-N	-1	3	362.393	2.220	20	30		FEEDHM
CC(C)[C@H]([N-]S(=O)(=O)Cc1cccc(C#N)c1)C(=O)OC(C)(C)C	ZINC000132642919	544238912	/nfs/dbraw/zinc/23/89/12/544238912.db2.gz	JTAIFHIYDLTUBY-HNNXBMFYSA-N	-1	3	352.456	2.344	20	30		FEEDHM
C=C(C)CN(CC)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1	ZINC000133727862	544281398	/nfs/dbraw/zinc/28/13/98/544281398.db2.gz	WUOUKPXHVZGISB-UHFFFAOYSA-N	-1	3	365.908	2.287	20	30		FEEDHM
C=C(C)COCC[N-]S(=O)(=O)c1cc(OC)ccc1Br	ZINC000133067560	544254239	/nfs/dbraw/zinc/25/42/39/544254239.db2.gz	WPDFNMJSLWWAHP-UHFFFAOYSA-N	-1	3	364.261	2.329	20	30		FEEDHM
CC(C)NC(=O)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2F)C1	ZINC000151199981	544516471	/nfs/dbraw/zinc/51/64/71/544516471.db2.gz	NUYSTQATFKXABM-ZIAGYGMSSA-N	-1	3	367.446	2.059	20	30		FEEDHM
C[C@@H](CC(=O)c1ccccc1)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000151898177	544594145	/nfs/dbraw/zinc/59/41/45/544594145.db2.gz	CWQLSKBTFTYGMN-LBPRGKRZSA-N	-1	3	373.390	2.406	20	30		FEEDHM
C=CCN(C)C(=O)[C@@H](C)[N-]S(=O)(=O)c1ccccc1C(F)(F)F	ZINC000152895980	544708906	/nfs/dbraw/zinc/70/89/06/544708906.db2.gz	IXAOQUKAGIJTSM-SNVBAGLBSA-N	-1	3	350.362	2.017	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)OCC2CC(OCC)C2)ccc1F	ZINC000803273574	674233061	/nfs/dbraw/zinc/23/30/61/674233061.db2.gz	OWWVVTIOHUMPFJ-UHFFFAOYSA-N	-1	3	371.430	2.262	20	30		FEEDHM
Cc1ccccc1C[C@@H](CO)[N-]S(=O)(=O)c1ccc(Cl)cc1C#N	ZINC000188277962	328077393	/nfs/dbraw/zinc/07/73/93/328077393.db2.gz	VECVEEATHYBCBY-INIZCTEOSA-N	-1	3	364.854	2.402	20	30		FEEDHM
Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)Nc1ccc(F)c(C#N)c1	ZINC000076881019	324967679	/nfs/dbraw/zinc/96/76/79/324967679.db2.gz	KLOZPROBBILHFJ-UHFFFAOYSA-N	-1	3	363.352	2.332	20	30		FEEDHM
N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CCCOCC1CCOCC1	ZINC000120696192	326279816	/nfs/dbraw/zinc/27/98/16/326279816.db2.gz	MYYOSUKJKPKBSD-UHFFFAOYSA-N	-1	3	372.874	2.323	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCO[C@@H](c2ccsc2)C1	ZINC000120767224	326286273	/nfs/dbraw/zinc/28/62/73/326286273.db2.gz	LAXGCBCTZYUNQL-QGZVFWFLSA-N	-1	3	371.462	2.458	20	30		FEEDHM
COC(=O)[C@H](C)[C@@H]([N-]S(=O)(=O)c1ccccc1C#N)c1ccccc1	ZINC000124434634	326453913	/nfs/dbraw/zinc/45/39/13/326453913.db2.gz	KKHRQZDTSWYHDW-CXAGYDPISA-N	-1	3	358.419	2.387	20	30		FEEDHM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C[C@@H]1CCc2ccccc21	ZINC000157448112	326865632	/nfs/dbraw/zinc/86/56/32/326865632.db2.gz	JJNVYMPHYXLEKA-ZDUSSCGKSA-N	-1	3	357.391	2.475	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(C2CCOCC2)CC1	ZINC000162344778	327023328	/nfs/dbraw/zinc/02/33/28/327023328.db2.gz	SYBDDXLMYPSRGH-UHFFFAOYSA-N	-1	3	371.481	2.461	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc([S@](C)=O)cc1	ZINC000173094795	327234961	/nfs/dbraw/zinc/23/49/61/327234961.db2.gz	NZPJUPZHDYKAGV-VWLOTQADSA-N	-1	3	357.435	2.172	20	30		FEEDHM
CO[C@@]1(C)C[C@H](N(C)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C1(C)C	ZINC000175242065	327381955	/nfs/dbraw/zinc/38/19/55/327381955.db2.gz	LMUMINAEYTVQFG-JXFKEZNVSA-N	-1	3	359.470	2.458	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2	ZINC000253555364	328799435	/nfs/dbraw/zinc/79/94/35/328799435.db2.gz	SFRZUXSQHSNNJV-ZTFGCOKTSA-N	-1	3	355.438	2.282	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)C(=O)N1CCCC[C@H]1C	ZINC000263739355	328957915	/nfs/dbraw/zinc/95/79/15/328957915.db2.gz	DLGPOYDCDPZJCB-IUODEOHRSA-N	-1	3	372.469	2.114	20	30		FEEDHM
COC(=O)c1cccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1O	ZINC000264071354	328989951	/nfs/dbraw/zinc/98/99/51/328989951.db2.gz	BMKAXECZYKBEQN-UHFFFAOYSA-N	-1	3	369.377	2.339	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(C2(C)OCCO2)CC1	ZINC000268059680	329381315	/nfs/dbraw/zinc/38/13/15/329381315.db2.gz	ZSNQAAQGIIUPPN-UHFFFAOYSA-N	-1	3	373.453	2.210	20	30		FEEDHM
COC(=O)[C@H]1CCCC[C@@]1(C)NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C	ZINC000270431074	329600255	/nfs/dbraw/zinc/60/02/55/329600255.db2.gz	WBJDDNLYJJGGBF-OXQOHEQNSA-N	-1	3	373.453	2.446	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Oc1ccc2c(c1)C(=O)NC2	ZINC000276428611	330150678	/nfs/dbraw/zinc/15/06/78/330150678.db2.gz	PEHSEVHEADPKSI-UHFFFAOYSA-N	-1	3	351.362	2.057	20	30		FEEDHM
CCNC(=O)N1CCC(N(CC(=O)[O-])Cc2ccc(F)cc2F)CC1	ZINC000328602324	520204670	/nfs/dbraw/zinc/20/46/70/520204670.db2.gz	BCOQPQAODYILCF-UHFFFAOYSA-N	-1	3	355.385	2.250	20	30		FEEDHM
COC(=O)[C@@H](CS(=O)(=O)[N-]c1ccc(F)c(C#N)c1)c1ccccc1	ZINC000477520276	561146905	/nfs/dbraw/zinc/14/69/05/561146905.db2.gz	DWVIQJSZRZKZQH-HNNXBMFYSA-N	-1	3	362.382	2.396	20	30		FEEDHM
Cc1nc([C@H]([N-]S(=O)(=O)c2ccc(F)cc2C#N)c2ccccc2)n[nH]1	ZINC000157141907	545705826	/nfs/dbraw/zinc/70/58/26/545705826.db2.gz	GBBMEAWUOUKSNB-MRXNPFEDSA-N	-1	3	371.397	2.192	20	30		FEEDHM
N#Cc1ccc(CS(=O)(=O)[N-][C@H]2COc3ccc(F)cc32)c(F)c1	ZINC000480698951	561214625	/nfs/dbraw/zinc/21/46/25/561214625.db2.gz	OUHKCZPUVNVHQJ-HNNXBMFYSA-N	-1	3	350.346	2.390	20	30		FEEDHM
Cc1ccsc1[C@H](CO)[N-]S(=O)(=O)Cc1ccc(C#N)cc1F	ZINC000480727643	561215274	/nfs/dbraw/zinc/21/52/74/561215274.db2.gz	DDAMNZCCKGWZFS-AWEZNQCLSA-N	-1	3	354.428	2.220	20	30		FEEDHM
COC(=O)CN(CC#N)Cc1nc(=O)c2c(-c3ccccc3)csc2[n-]1	ZINC000177619871	546654779	/nfs/dbraw/zinc/65/47/79/546654779.db2.gz	BDIHZGCGFLNWHX-UHFFFAOYSA-N	-1	3	368.418	2.150	20	30		FEEDHM
N#Cc1c(Cl)cccc1S(=O)(=O)[N-]Cc1ccc(CO)c(F)c1	ZINC000178626962	546822880	/nfs/dbraw/zinc/82/28/80/546822880.db2.gz	WHNOXWSMXPVGRZ-UHFFFAOYSA-N	-1	3	354.790	2.322	20	30		FEEDHM
C=CC[C@@H](C)NS(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)c(F)c1	ZINC000179364114	546940267	/nfs/dbraw/zinc/94/02/67/546940267.db2.gz	DWNTVEVJWYVZEM-LLVKDONJSA-N	-1	3	364.464	2.220	20	30		FEEDHM
C=C(C)CN1CCC(NC(=O)c2nn(-c3ccc(OC)cc3)cc2[O-])CC1	ZINC000181048812	547238866	/nfs/dbraw/zinc/23/88/66/547238866.db2.gz	SCYDQDYZKGRZNA-UHFFFAOYSA-N	-1	3	370.453	2.357	20	30		FEEDHM
N#CC(=C([O-])c1ccnc(O[C@@H]2CCOC2)c1)c1nnc2n1CCCCC2	ZINC000183514152	547673757	/nfs/dbraw/zinc/67/37/57/547673757.db2.gz	RYAACLJTDQODOY-HUUCEWRRSA-N	-1	3	367.409	2.057	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C(=O)N1CCCC[C@@H]1C	ZINC000183632579	547692151	/nfs/dbraw/zinc/69/21/51/547692151.db2.gz	GNBAQDIJNVELQJ-NWDGAFQWSA-N	-1	3	369.874	2.279	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]CCCOC2CCOCC2)c(Cl)c1	ZINC000183732694	547709513	/nfs/dbraw/zinc/70/95/13/547709513.db2.gz	LBJWGCCIQJAVSS-UHFFFAOYSA-N	-1	3	358.847	2.076	20	30		FEEDHM
C=CC[C@H](CO)NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C(C)(C)C)c1	ZINC000185802905	548037698	/nfs/dbraw/zinc/03/76/98/548037698.db2.gz	WRKZLAGBGSPHIH-GFCCVEGCSA-N	-1	3	374.890	2.084	20	30		FEEDHM
C=CCC[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]C)nc1)c1ccccc1	ZINC000186199881	548098899	/nfs/dbraw/zinc/09/88/99/548098899.db2.gz	JMMQZNARENPODW-INIZCTEOSA-N	-1	3	359.451	2.427	20	30		FEEDHM
C=CC[C@@H](CO)[N-]S(=O)(=O)c1cc(Br)ccc1Cl	ZINC000186654542	548165945	/nfs/dbraw/zinc/16/59/45/548165945.db2.gz	QFHZPHHOAWYHGK-VIFPVBQESA-N	-1	3	354.653	2.318	20	30		FEEDHM
CN(C(N)=O)c1cccc([N-]S(=O)(=O)CC2(C#N)CCCCC2)c1	ZINC000487396279	561369102	/nfs/dbraw/zinc/36/91/02/561369102.db2.gz	MDYQKBBOMDPRHN-UHFFFAOYSA-N	-1	3	350.444	2.417	20	30		FEEDHM
N#Cc1ccccc1Oc1ccc(NC(=O)C[C@@H]2NC(=O)[N-]C2=O)cc1F	ZINC000491092351	561442968	/nfs/dbraw/zinc/44/29/68/561442968.db2.gz	MBOLINMJVCYUHR-ZDUSSCGKSA-N	-1	3	368.324	2.026	20	30		FEEDHM
Cc1ncc(CO)c(/C=N/Cc2cc(F)ccc2N2CCOCC2)c1[O-]	ZINC000265764140	550014078	/nfs/dbraw/zinc/01/40/78/550014078.db2.gz	GYRNPIAHWWQNTL-SRZZPIQSSA-N	-1	3	359.401	2.183	20	30		FEEDHM
CCOc1ccc(C(=O)N(C)C)cc1/N=C/c1c([O-])c(C)ncc1CO	ZINC000267321685	550030116	/nfs/dbraw/zinc/03/01/16/550030116.db2.gz	FSOHUKSNQOEYSQ-UFFVCSGVSA-N	-1	3	357.410	2.439	20	30		FEEDHM
CCOC(=O)c1ncc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)s1	ZINC000269280776	550175705	/nfs/dbraw/zinc/17/57/05/550175705.db2.gz	OXMCJYJRZZIEIU-UHFFFAOYSA-N	-1	3	374.422	2.480	20	30		FEEDHM
N#CCCCCS(=O)(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1	ZINC000269636068	550212901	/nfs/dbraw/zinc/21/29/01/550212901.db2.gz	BPXIAJQWRNQNNW-UHFFFAOYSA-N	-1	3	365.455	2.066	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)c1nnc(C(C)C)[nH]1	ZINC000270605902	550288462	/nfs/dbraw/zinc/28/84/62/550288462.db2.gz	DPCGTSNFORHUFP-LBPRGKRZSA-N	-1	3	356.430	2.327	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1	ZINC000270605902	550288465	/nfs/dbraw/zinc/28/84/65/550288465.db2.gz	DPCGTSNFORHUFP-LBPRGKRZSA-N	-1	3	356.430	2.327	20	30		FEEDHM
Cc1ccc(C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c([O-])c1C	ZINC000271424642	550374526	/nfs/dbraw/zinc/37/45/26/550374526.db2.gz	PFFKUEMIPBTREI-ZDUSSCGKSA-N	-1	3	351.410	2.022	20	30		FEEDHM
Cc1cc(NC([O-])=NOC[C@H](C)NC(=O)OC(C)(C)C)nn1CCC#N	ZINC000273369738	550495904	/nfs/dbraw/zinc/49/59/04/550495904.db2.gz	AJYCDQTZIISQJO-NSHDSACASA-N	-1	3	366.422	2.072	20	30		FEEDHM
Cc1cc(NC(=O)[N-]OC[C@H](C)NC(=O)OC(C)(C)C)nn1CCC#N	ZINC000273369738	550495906	/nfs/dbraw/zinc/49/59/06/550495906.db2.gz	AJYCDQTZIISQJO-NSHDSACASA-N	-1	3	366.422	2.072	20	30		FEEDHM
C=C(C)[C@H](Cc1nc(-c2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)no1)OCC	ZINC000273649937	550506600	/nfs/dbraw/zinc/50/66/00/550506600.db2.gz	CWUBHQUQGCYUFS-IFXJQAMLSA-N	-1	3	370.409	2.315	20	30		FEEDHM
N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2COC3(CCCC3)O2)c1	ZINC000274765305	550553034	/nfs/dbraw/zinc/55/30/34/550553034.db2.gz	OJKCWDCVFLWHHS-GFCCVEGCSA-N	-1	3	356.831	2.176	20	30		FEEDHM
C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cccnc2C#N)CCN1Cc1ccccc1	ZINC000277254501	550648262	/nfs/dbraw/zinc/64/82/62/550648262.db2.gz	VZNAKJHWNVAILP-NVXWUHKLSA-N	-1	3	370.478	2.285	20	30		FEEDHM
C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cc(C(=O)OC)ccc1Cl	ZINC000280504812	551001173	/nfs/dbraw/zinc/00/11/73/551001173.db2.gz	CMCDGBKYDCMUJM-IUODEOHRSA-N	-1	3	373.858	2.386	20	30		FEEDHM
C#C[C@@H](NC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1)C(C)C	ZINC000281292420	551081797	/nfs/dbraw/zinc/08/17/97/551081797.db2.gz	JJRGWNGHZKGOMB-CYBMUJFWSA-N	-1	3	353.444	2.236	20	30		FEEDHM
C#C[C@H]([N-]S(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1)C(C)C	ZINC000281615446	551120519	/nfs/dbraw/zinc/12/05/19/551120519.db2.gz	SYKIFROWCJWQHM-AWEZNQCLSA-N	-1	3	370.540	2.389	20	30		FEEDHM
COc1ccccc1[C@@H]([N-]S(=O)(=O)N(C)C[C@@H](C)C#N)c1ccco1	ZINC000281716332	551134180	/nfs/dbraw/zinc/13/41/80/551134180.db2.gz	DQVWMQGYUWTTSS-SUMWQHHRSA-N	-1	3	363.439	2.303	20	30		FEEDHM
N#CC1CCC(CNC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)CC1	ZINC000282109763	551181552	/nfs/dbraw/zinc/18/15/52/551181552.db2.gz	FRUOCLNEPJOTME-UHFFFAOYSA-N	-1	3	370.453	2.190	20	30		FEEDHM
Cc1nc([C@](C)(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C2CC2)no1	ZINC000497613993	561504803	/nfs/dbraw/zinc/50/48/03/561504803.db2.gz	XNXZEQQMFHAYJX-LJQANCHMSA-N	-1	3	369.425	2.341	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1C#N)[C@H]1CCCO1	ZINC000283587443	551392142	/nfs/dbraw/zinc/39/21/42/551392142.db2.gz	RTNSBUUDGOSICT-BXKDBHETSA-N	-1	3	359.245	2.167	20	30		FEEDHM
CC(C)(C)[N-]S(=O)(=O)c1cc(NC(=O)N2CC(C)(C#N)C2)ccc1F	ZINC000284799528	551636435	/nfs/dbraw/zinc/63/64/35/551636435.db2.gz	KIKRARKYVOVBBP-UHFFFAOYSA-N	-1	3	368.434	2.280	20	30		FEEDHM
CCOC(=O)c1cc(S(=O)(=O)[N-][C@@](C)(C#N)CSC)c(F)cc1C	ZINC000285201714	551720034	/nfs/dbraw/zinc/72/00/34/551720034.db2.gz	WLYVNIVFPHQZJF-HNNXBMFYSA-N	-1	3	374.459	2.234	20	30		FEEDHM
CNC(=O)CC[C@@H]1CCCCN1C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C	ZINC000286120251	551850744	/nfs/dbraw/zinc/85/07/44/551850744.db2.gz	CFDPRFRJMRAQLQ-HNNXBMFYSA-N	-1	3	372.469	2.116	20	30		FEEDHM
CNC(=O)CC[C@H]1CCCCN1C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C	ZINC000286120254	551850814	/nfs/dbraw/zinc/85/08/14/551850814.db2.gz	CFDPRFRJMRAQLQ-OAHLLOKOSA-N	-1	3	372.469	2.116	20	30		FEEDHM
N#Cc1ccc(OC2CCN(c3nc4nncc-4c(O)[n-]3)CC2)c(F)c1	ZINC000286334263	551875393	/nfs/dbraw/zinc/87/53/93/551875393.db2.gz	KMWMWEFOXDIYMX-UHFFFAOYSA-N	-1	3	354.345	2.117	20	30		FEEDHM
C#C[C@H]([N-]S(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl)C(C)(C)C	ZINC000287329727	551990330	/nfs/dbraw/zinc/99/03/30/551990330.db2.gz	GFEFXEGMUJBQLS-ZDUSSCGKSA-N	-1	3	363.888	2.070	20	30		FEEDHM
N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@H]1CCCOCC1	ZINC000287706693	552036496	/nfs/dbraw/zinc/03/64/96/552036496.db2.gz	GAVPCBUOWUAFRV-JTQLQIEISA-N	-1	3	359.245	2.168	20	30		FEEDHM
COCCC1(C[N-]S(=O)(=O)c2cccc(Br)c2C#N)CC1	ZINC000287712602	552037133	/nfs/dbraw/zinc/03/71/33/552037133.db2.gz	GKLAXBQTTKGMTE-UHFFFAOYSA-N	-1	3	373.272	2.416	20	30		FEEDHM
C=C[C@H](CC(=O)N1CCC[C@H]1C[C@]1(C)NC(=O)[N-]C1=O)c1ccccc1	ZINC000287782958	552046091	/nfs/dbraw/zinc/04/60/91/552046091.db2.gz	IRDZIYGZWYFCHY-IIMJZQEZSA-N	-1	3	355.438	2.326	20	30		FEEDHM
C=C[C@H](CC(=O)N1CCC[C@H]1C[C@@]1(C)NC(=O)[N-]C1=O)c1ccccc1	ZINC000287782969	552046121	/nfs/dbraw/zinc/04/61/21/552046121.db2.gz	IRDZIYGZWYFCHY-PTSWNOGYSA-N	-1	3	355.438	2.326	20	30		FEEDHM
C=CC[C@H](C(=O)N1CCC[C@@H]1C[C@]1(C)NC(=O)[N-]C1=O)c1ccccc1	ZINC000287930392	552064510	/nfs/dbraw/zinc/06/45/10/552064510.db2.gz	QTUCKJLXRQFEGT-GUXCAODWSA-N	-1	3	355.438	2.326	20	30		FEEDHM
CCOC(=O)Nc1ccc(NC(=O)[N-]OCCCC(=O)OC)cc1C#N	ZINC000288936307	552239551	/nfs/dbraw/zinc/23/95/51/552239551.db2.gz	YCZSAMDFTHCFDY-UHFFFAOYSA-N	-1	3	364.358	2.133	20	30		FEEDHM
C=CCCCNC(=O)C[N-]S(=O)(=O)c1ccccc1C(F)(F)F	ZINC000290973834	552570783	/nfs/dbraw/zinc/57/07/83/552570783.db2.gz	XTAAIYMIDCOARH-UHFFFAOYSA-N	-1	3	350.362	2.066	20	30		FEEDHM
C=C[C@@](C)(CCOC)C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1	ZINC000291486050	552629465	/nfs/dbraw/zinc/62/94/65/552629465.db2.gz	SGBDSWVJZWWVLC-WFASDCNBSA-N	-1	3	350.381	2.132	20	30		FEEDHM
CC[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)[C@@H](O)C(F)F	ZINC000295489225	553015162	/nfs/dbraw/zinc/01/51/62/553015162.db2.gz	AWSJYZGEGJGGKJ-MWLCHTKSSA-N	-1	3	372.315	2.260	20	30		FEEDHM
CC(C)(CC#N)CS(=O)(=O)[N-]CC(=O)Nc1cccc2cccnc21	ZINC000295653136	553039633	/nfs/dbraw/zinc/03/96/33/553039633.db2.gz	HNQBREKNMVBZGG-UHFFFAOYSA-N	-1	3	360.439	2.033	20	30		FEEDHM
CC[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)[C@H](O)C(F)F	ZINC000295732819	553052003	/nfs/dbraw/zinc/05/20/03/553052003.db2.gz	MTGRYVYXEDZWER-ONGXEEELSA-N	-1	3	372.315	2.260	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCCN1CCCCCC1=O	ZINC000302817789	553734185	/nfs/dbraw/zinc/73/41/85/553734185.db2.gz	SPKAVKOPAJBFQB-UHFFFAOYSA-N	-1	3	372.469	2.117	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCNC(=O)CC1CCCC1	ZINC000506643852	561704777	/nfs/dbraw/zinc/70/47/77/561704777.db2.gz	WGVATFAKYPBNFO-UHFFFAOYSA-N	-1	3	372.469	2.021	20	30		FEEDHM
CCO[C@@H]1C[C@H]([N-]S(=O)(=O)CC2(C#N)CCCCC2)[C@@]12CCCO2	ZINC000330034849	554052678	/nfs/dbraw/zinc/05/26/78/554052678.db2.gz	WUORWEAHAFPYQD-UXLLHSPISA-N	-1	3	356.488	2.106	20	30		FEEDHM
CCN(C[C@H](C)C#N)S(=O)(=O)[N-][C@@H](C)c1nc(C2CCCCC2)no1	ZINC000330383898	554114530	/nfs/dbraw/zinc/11/45/30/554114530.db2.gz	KEYIZIQJDDQNMV-OLZOCXBDSA-N	-1	3	369.491	2.494	20	30		FEEDHM
COCC[C@](C)(C#N)[N-]S(=O)(=O)c1sc(C)cc1Br	ZINC000508067848	561750038	/nfs/dbraw/zinc/75/00/38/561750038.db2.gz	KWDALJACEBRXHZ-LLVKDONJSA-N	-1	3	367.290	2.416	20	30		FEEDHM
CO[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cccc(Br)c2C#N)C1	ZINC000330675102	554155683	/nfs/dbraw/zinc/15/56/83/554155683.db2.gz	GWJMXLDCWYTISC-VHSXEESVSA-N	-1	3	359.245	2.167	20	30		FEEDHM
CO[C@@H](C)CS(=O)(=O)[N-]c1ccc(OCC(F)(F)F)c(C#N)c1	ZINC000509104261	561784944	/nfs/dbraw/zinc/78/49/44/561784944.db2.gz	UUSRNNUESFOLAT-VIFPVBQESA-N	-1	3	352.334	2.276	20	30		FEEDHM
CS(=O)(=O)[N-]c1cc(C(=O)N[C@H](C#N)c2ccc(F)cc2)ccc1F	ZINC000509507884	561802932	/nfs/dbraw/zinc/80/29/32/561802932.db2.gz	CTPSVRJCRMHALY-OAHLLOKOSA-N	-1	3	365.361	2.331	20	30		FEEDHM
Cn1ccnc1[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)C1CC1	ZINC000510372701	561832581	/nfs/dbraw/zinc/83/25/81/561832581.db2.gz	DUEVHSBQVWZOPO-AWEZNQCLSA-N	-1	3	350.831	2.375	20	30		FEEDHM
CCN(C(=O)N=c1[n-]n(C)cc1C#N)[C@H]1CCN(Cc2ccccc2)C1	ZINC000613855163	554980279	/nfs/dbraw/zinc/98/02/79/554980279.db2.gz	GDUCHJAEDCBLBH-KRWDZBQOSA-N	-1	3	352.442	2.420	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]3OCCC[C@H]23)c(C(F)(F)F)c1	ZINC000364841316	555413371	/nfs/dbraw/zinc/41/33/71/555413371.db2.gz	SIBMOHHCNGDCJC-RAIGVLPGSA-N	-1	3	360.357	2.423	20	30		FEEDHM
N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]Cc1nnc(C2CC2)s1	ZINC000517096012	562075537	/nfs/dbraw/zinc/07/55/37/562075537.db2.gz	VMBQUQIYQGGEGY-UHFFFAOYSA-N	-1	3	354.844	2.419	20	30		FEEDHM
CC(C)(C)CN(CCC#N)C(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-]	ZINC000375094902	557977167	/nfs/dbraw/zinc/97/71/67/557977167.db2.gz	RZIBCJIDBNHVSM-UHFFFAOYSA-N	-1	3	372.400	2.276	20	30		FEEDHM
CC(C)(C)CN(CCC#N)C(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O	ZINC000375094902	557977169	/nfs/dbraw/zinc/97/71/69/557977169.db2.gz	RZIBCJIDBNHVSM-UHFFFAOYSA-N	-1	3	372.400	2.276	20	30		FEEDHM
Cn1cc(CNc2ccc3c(c2)C(=O)[N-]C3=O)c(-c2ccc(C#N)cc2)n1	ZINC000375183605	557988466	/nfs/dbraw/zinc/98/84/66/557988466.db2.gz	WLJZVKOQKAJNIR-UHFFFAOYSA-N	-1	3	357.373	2.454	20	30		FEEDHM
N#CC1([N-]C(=O)C(F)(F)C2(O)CCC2)CCN(Cc2ccccc2)CC1	ZINC000376179454	558137192	/nfs/dbraw/zinc/13/71/92/558137192.db2.gz	AOADQBYYMLBUGA-UHFFFAOYSA-N	-1	3	363.408	2.211	20	30		FEEDHM
COC(=O)[C@@H]1CN(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)CC12CCC2	ZINC000376431117	558172457	/nfs/dbraw/zinc/17/24/57/558172457.db2.gz	ZEMLRIGKZCGEAH-INIZCTEOSA-N	-1	3	371.437	2.010	20	30		FEEDHM
CC(C)N(CCC#N)C(=O)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1	ZINC000523281172	562210480	/nfs/dbraw/zinc/21/04/80/562210480.db2.gz	CWCBDRAADICNLM-UHFFFAOYSA-N	-1	3	372.450	2.069	20	30		FEEDHM
CC1(C)OC[C@@H]2C[C@@]21[N-]S(=O)(=O)c1cc(Br)ccc1C#N	ZINC000528484338	562331756	/nfs/dbraw/zinc/33/17/56/562331756.db2.gz	AMYOVCZQTASSRZ-IINYFYTJSA-N	-1	3	371.256	2.167	20	30		FEEDHM
C=C(CC)CNC(=O)C[N-]S(=O)(=O)c1ccccc1C(F)(F)F	ZINC000412404993	559033499	/nfs/dbraw/zinc/03/34/99/559033499.db2.gz	VTOMRLNPBWENDH-UHFFFAOYSA-N	-1	3	350.362	2.066	20	30		FEEDHM
C=CCN1CCC([N-]S(=O)(=O)c2cccc(Cl)c2C(=O)OC)CC1	ZINC000416382994	559308925	/nfs/dbraw/zinc/30/89/25/559308925.db2.gz	FXZXNFNIWSULAE-UHFFFAOYSA-N	-1	3	372.874	2.055	20	30		FEEDHM
CC[C@H](O)CCC[N-]S(=O)(=O)c1cc(Br)ccc1C#N	ZINC000416406948	559310610	/nfs/dbraw/zinc/31/06/10/559310610.db2.gz	HJMQBVISBDCEOM-LBPRGKRZSA-N	-1	3	361.261	2.150	20	30		FEEDHM
N#Cc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1C[C@@H]2OCCC[C@H]12	ZINC000416475853	559316106	/nfs/dbraw/zinc/31/61/06/559316106.db2.gz	WBOOCQDTUCYKHI-UPJWGTAASA-N	-1	3	371.256	2.167	20	30		FEEDHM
CC[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1C#N)C(C)(C)O	ZINC000416490573	559317118	/nfs/dbraw/zinc/31/71/18/559317118.db2.gz	VJYBIQODGGWMPS-GFCCVEGCSA-N	-1	3	361.261	2.149	20	30		FEEDHM
C[C@H]1CC[C@@H](C[N-]S(=O)(=O)c2cc(Br)ccc2C#N)O1	ZINC000416539185	559320555	/nfs/dbraw/zinc/32/05/55/559320555.db2.gz	YBVFKSRKTWRHIO-CABZTGNLSA-N	-1	3	359.245	2.167	20	30		FEEDHM
C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2cc(Br)ccc2C#N)[C@@H](C)O1	ZINC000416608894	559324873	/nfs/dbraw/zinc/32/48/73/559324873.db2.gz	SXNSRUZIKQPJEB-CKYFFXLPSA-N	-1	3	373.272	2.413	20	30		FEEDHM
N#Cc1ccc(CNC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])s1	ZINC000421920142	559556668	/nfs/dbraw/zinc/55/66/68/559556668.db2.gz	OJUWETICAQLTHA-OAHLLOKOSA-N	-1	3	355.419	2.246	20	30		FEEDHM
C=CCC1(C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)CCOCC1	ZINC000424725571	559674705	/nfs/dbraw/zinc/67/47/05/559674705.db2.gz	HHDZTINBCVMUNB-UHFFFAOYSA-N	-1	3	358.438	2.050	20	30		FEEDHM
Cc1cc(=O)n(C)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000432194748	559853977	/nfs/dbraw/zinc/85/39/77/559853977.db2.gz	ISQUUQOMHTWTMK-UHFFFAOYSA-N	-1	3	371.340	2.385	20	30		FEEDHM
C=C(C)CS(=O)(=O)[N-][C@@H]1CCN(c2cccc(Br)c2)C1=O	ZINC000435435946	559923108	/nfs/dbraw/zinc/92/31/08/559923108.db2.gz	CQVBHGLDCRYDTN-CYBMUJFWSA-N	-1	3	373.272	2.050	20	30		FEEDHM
CCCN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)[C@H](C)C(=O)OCC	ZINC000436326855	559940027	/nfs/dbraw/zinc/94/00/27/559940027.db2.gz	QQBYWWNZZBGQGM-CQSZACIVSA-N	-1	3	361.442	2.399	20	30		FEEDHM
COc1cccc(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1[O-]	ZINC000436918441	559956457	/nfs/dbraw/zinc/95/64/57/559956457.db2.gz	IMRNXQTUVRQNIA-MRXNPFEDSA-N	-1	3	365.389	2.198	20	30		FEEDHM
C=CC[C@@H](C)NC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F	ZINC000441175853	560025771	/nfs/dbraw/zinc/02/57/71/560025771.db2.gz	QYQCZQYRMXASKD-SNVBAGLBSA-N	-1	3	363.842	2.021	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-]CCN1CCC2(CCCCC2)CC1	ZINC000443092587	560070298	/nfs/dbraw/zinc/07/02/98/560070298.db2.gz	HBDTZMZWZVEODU-UHFFFAOYSA-N	-1	3	362.499	2.278	20	30		FEEDHM
N#Cc1ccc(C(=O)Nc2ccc3nc(N4CCOCC4)[nH]c3c2)cc1[O-]	ZINC000443546237	560086819	/nfs/dbraw/zinc/08/68/19/560086819.db2.gz	AZFAMAIJZFWZJQ-UHFFFAOYSA-N	-1	3	363.377	2.229	20	30		FEEDHM
CCOC(=O)c1nc(C2CCN(Cc3cccc(C#N)c3F)CC2)n[n-]1	ZINC000444813399	560121680	/nfs/dbraw/zinc/12/16/80/560121680.db2.gz	BIYAQIHOGULBDP-UHFFFAOYSA-N	-1	3	357.389	2.372	20	30		FEEDHM
COC(=O)c1ccc(S(=O)(=O)[N-][C@]2(C#N)CCC[C@H](C)C2)cc1F	ZINC000446749390	560151186	/nfs/dbraw/zinc/15/11/86/560151186.db2.gz	ALXSYLWITZDUCH-MEDUHNTESA-N	-1	3	354.403	2.363	20	30		FEEDHM
N#Cc1c(F)cccc1N1CCN(C(=O)Cc2ccc([O-])c(F)c2)CC1	ZINC000448686286	560194140	/nfs/dbraw/zinc/19/41/40/560194140.db2.gz	HHASEQYVVOAEJD-UHFFFAOYSA-N	-1	3	357.360	2.433	20	30		FEEDHM
Cn1ccnc1[C@H]([N-]S(=O)(=O)CC1(CC#N)CC1)c1ccccc1F	ZINC000451005312	560281933	/nfs/dbraw/zinc/28/19/33/560281933.db2.gz	RTYINKPLGOYERM-OAHLLOKOSA-N	-1	3	362.430	2.262	20	30		FEEDHM
COC(=O)[C@@H]([N-]S(=O)(=O)CC1(CC#N)CC1)c1cc(C)cc(C)c1	ZINC000451402300	560304715	/nfs/dbraw/zinc/30/47/15/560304715.db2.gz	ITTFTVNFADSSKM-HNNXBMFYSA-N	-1	3	350.440	2.131	20	30		FEEDHM
C=CCC[C@H](CO)[N-]S(=O)(=O)c1cc(OC)ccc1Br	ZINC000452027868	560346448	/nfs/dbraw/zinc/34/64/48/560346448.db2.gz	XOIWFTLHCKEIOV-SNVBAGLBSA-N	-1	3	364.261	2.063	20	30		FEEDHM
C=CC(C)(C)C[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)NC)c1OC	ZINC000451811857	560330076	/nfs/dbraw/zinc/33/00/76/560330076.db2.gz	OGGFTTMGAIDFBH-UHFFFAOYSA-N	-1	3	360.863	2.199	20	30		FEEDHM
CCOC(=O)[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl	ZINC000451945346	560339842	/nfs/dbraw/zinc/33/98/42/560339842.db2.gz	IWBDGFXRLAAWFV-YPMHNXCESA-N	-1	3	356.831	2.222	20	30		FEEDHM
CO[C@H]([C@@H](C)[N-]S(=O)(=O)c1cccc(Br)c1C#N)C1CC1	ZINC000451973754	560341490	/nfs/dbraw/zinc/34/14/90/560341490.db2.gz	RCHKTPISGWLHBY-YMTOWFKASA-N	-1	3	373.272	2.413	20	30		FEEDHM
C=CCC[C@@H]([N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])C(=O)OCC	ZINC000451983539	560342258	/nfs/dbraw/zinc/34/22/58/560342258.db2.gz	CEEQDOBONHSJON-CYBMUJFWSA-N	-1	3	370.427	2.388	20	30		FEEDHM
COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]Cc1ccc(C#N)c(F)c1	ZINC000452039077	560347102	/nfs/dbraw/zinc/34/71/02/560347102.db2.gz	AEEWATHBWBITOH-UHFFFAOYSA-N	-1	3	366.370	2.172	20	30		FEEDHM
C=C(C)CCNC(=O)[C@@H](C)[N-]S(=O)(=O)c1ccccc1C(F)(F)F	ZINC000456126747	560507959	/nfs/dbraw/zinc/50/79/59/560507959.db2.gz	XXVWSTXYZUZYKV-LLVKDONJSA-N	-1	3	364.389	2.455	20	30		FEEDHM
CCOC(=O)[C@@H]1CCCC[C@@H]1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C	ZINC000456153242	560508953	/nfs/dbraw/zinc/50/89/53/560508953.db2.gz	ZIYDYZUAOWQPJD-WBVHZDCISA-N	-1	3	373.453	2.446	20	30		FEEDHM
C=CCC1(CNC(=O)[C@H](C)[N-]S(=O)(=O)c2c(C)noc2C)CCCC1	ZINC000456489780	560522248	/nfs/dbraw/zinc/52/22/48/560522248.db2.gz	VMEKYAIAMPGOBE-ZDUSSCGKSA-N	-1	3	369.487	2.211	20	30		FEEDHM
N#CC(=C([O-])c1ccccc1OCC(N)=O)c1cc(C(F)(F)F)ccn1	ZINC000464466856	560842518	/nfs/dbraw/zinc/84/25/18/560842518.db2.gz	JJVUKWKYJIBBPN-GFCCVEGCSA-N	-1	3	363.295	2.455	20	30		FEEDHM
CCNc1cnc(-c2noc(CCc3c(C)[n-]c(=O)c(C#N)c3C)n2)cn1	ZINC000468081479	560922367	/nfs/dbraw/zinc/92/23/67/560922367.db2.gz	XQXGWJUWWJLFIR-UHFFFAOYSA-N	-1	3	365.397	2.333	20	30		FEEDHM
CC(C)[C@@H](C#N)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br	ZINC000469010724	560944646	/nfs/dbraw/zinc/94/46/46/560944646.db2.gz	RQATXRASZVYHDU-SNVBAGLBSA-N	-1	3	362.205	2.184	20	30		FEEDHM
C=CCNC(=O)c1cccc(S(=O)(=O)[N-][C@@H](CC)C(F)(F)F)c1	ZINC000469075205	560946588	/nfs/dbraw/zinc/94/65/88/560946588.db2.gz	WXUSHEFGJCMCHN-LBPRGKRZSA-N	-1	3	350.362	2.222	20	30		FEEDHM
N#CCCN(C(=O)CCC(=O)NCc1ncccc1[O-])c1ccccc1	ZINC000473634548	561054598	/nfs/dbraw/zinc/05/45/98/561054598.db2.gz	VOTGQGUGRSBVFP-UHFFFAOYSA-N	-1	3	352.394	2.130	20	30		FEEDHM
C[C@H]1CCN(Cc2ccccc2)C[C@H]1[N-]S(=O)(=O)c1ccc(C#N)o1	ZINC000528530809	562334483	/nfs/dbraw/zinc/33/44/83/562334483.db2.gz	VFTPXUPXRDVLQC-WMLDXEAASA-N	-1	3	359.451	2.340	20	30		FEEDHM
CO[C@@H](C)c1nc(C[N-]S(=O)(=O)c2ccc(C#N)cc2F)cs1	ZINC000530974559	562430481	/nfs/dbraw/zinc/43/04/81/562430481.db2.gz	CAUFGIQVNXQYOK-VIFPVBQESA-N	-1	3	355.416	2.340	20	30		FEEDHM
C[N-]S(=O)(=O)c1ccc(CNc2ccc(C#N)cc2COC)s1	ZINC000603273867	568081470	/nfs/dbraw/zinc/08/14/70/568081470.db2.gz	QOPOWLRBODWWRT-UHFFFAOYSA-N	-1	3	351.453	2.286	20	30		FEEDHM
N#Cc1ccc(C(=O)C[N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)cc1	ZINC000556396129	674400565	/nfs/dbraw/zinc/40/05/65/674400565.db2.gz	LJLXKKBMUIBJNU-UHFFFAOYSA-N	-1	3	354.309	2.137	20	30		FEEDHM
C[C@@H](CC#N)OC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1	ZINC000735977981	598858081	/nfs/dbraw/zinc/85/80/81/598858081.db2.gz	YNVNUQLUMGJUGF-NSHDSACASA-N	-1	3	353.338	2.498	20	30		FEEDHM
C[C@@H](CC#N)OC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1	ZINC000735977981	598858082	/nfs/dbraw/zinc/85/80/82/598858082.db2.gz	YNVNUQLUMGJUGF-NSHDSACASA-N	-1	3	353.338	2.498	20	30		FEEDHM
COC(=O)[C@H](c1ccc(C#N)cc1)N(C)Cc1cccc(-c2nnn[n-]2)c1	ZINC000736905081	598860258	/nfs/dbraw/zinc/86/02/58/598860258.db2.gz	ACQHIGJNXUSMAB-KRWDZBQOSA-N	-1	3	362.393	2.084	20	30		FEEDHM
COC(=O)[C@H](c1ccc(C#N)cc1)N(C)Cc1cccc(-c2nn[n-]n2)c1	ZINC000736905081	598860259	/nfs/dbraw/zinc/86/02/59/598860259.db2.gz	ACQHIGJNXUSMAB-KRWDZBQOSA-N	-1	3	362.393	2.084	20	30		FEEDHM
COC(=O)[C@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccc(-c2nnn[n-]2)cc1	ZINC000736896916	598879864	/nfs/dbraw/zinc/87/98/64/598879864.db2.gz	PCNCBOKXFKKFEP-YVEFUNNKSA-N	-1	3	362.393	2.303	20	30		FEEDHM
COC(=O)[C@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccc(-c2nn[n-]n2)cc1	ZINC000736896916	598879865	/nfs/dbraw/zinc/87/98/65/598879865.db2.gz	PCNCBOKXFKKFEP-YVEFUNNKSA-N	-1	3	362.393	2.303	20	30		FEEDHM
CCCCCCCC(=O)Nc1nc(C)nn1-c1ccc(-c2nn[n-]n2)cc1	ZINC000736446265	598923517	/nfs/dbraw/zinc/92/35/17/598923517.db2.gz	OZTLXYSJFMLMIS-UHFFFAOYSA-N	-1	3	368.445	2.477	20	30		FEEDHM
N#CCc1ccc(N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)cc1	ZINC000737696955	598960466	/nfs/dbraw/zinc/96/04/66/598960466.db2.gz	BAEXOEKACXUKTQ-QGZVFWFLSA-N	-1	3	359.393	2.150	20	30		FEEDHM
N#CCc1ccc(N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)cc1	ZINC000737696955	598960467	/nfs/dbraw/zinc/96/04/67/598960467.db2.gz	BAEXOEKACXUKTQ-QGZVFWFLSA-N	-1	3	359.393	2.150	20	30		FEEDHM
C[C@@H](CC#N)NC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1	ZINC000735963191	599026542	/nfs/dbraw/zinc/02/65/42/599026542.db2.gz	BNPLTTOUTGLQBF-ZDUSSCGKSA-N	-1	3	362.393	2.478	20	30		FEEDHM
C[C@@H](CC#N)NC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1	ZINC000735963191	599026544	/nfs/dbraw/zinc/02/65/44/599026544.db2.gz	BNPLTTOUTGLQBF-ZDUSSCGKSA-N	-1	3	362.393	2.478	20	30		FEEDHM
COc1ccc(CN=Nc2c(F)c(F)nc(F)c2F)cc1-c1nnn[n-]1	ZINC000737081151	599125199	/nfs/dbraw/zinc/12/51/99/599125199.db2.gz	LALGMJNGSLWHBQ-UHFFFAOYSA-N	-1	3	367.266	2.273	20	30		FEEDHM
COc1ccc(CN=Nc2c(F)c(F)nc(F)c2F)cc1-c1nn[n-]n1	ZINC000737081151	599125201	/nfs/dbraw/zinc/12/52/01/599125201.db2.gz	LALGMJNGSLWHBQ-UHFFFAOYSA-N	-1	3	367.266	2.273	20	30		FEEDHM
N#Cc1cc(NC(=O)c2ccc(Br)cn2)ccc1-c1nnn[n-]1	ZINC000737709366	599192213	/nfs/dbraw/zinc/19/22/13/599192213.db2.gz	NOZCALVXYPYBDG-UHFFFAOYSA-N	-1	3	370.170	2.148	20	30		FEEDHM
N#Cc1cc(NC(=O)c2ccc(Br)cn2)ccc1-c1nn[n-]n1	ZINC000737709366	599192215	/nfs/dbraw/zinc/19/22/15/599192215.db2.gz	NOZCALVXYPYBDG-UHFFFAOYSA-N	-1	3	370.170	2.148	20	30		FEEDHM
C=CCNc1ncc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2F)s1	ZINC000819751592	607263476	/nfs/dbraw/zinc/26/34/76/607263476.db2.gz	XKBXZZAVYSUBIP-UHFFFAOYSA-N	-1	3	360.374	2.417	20	30		FEEDHM
C=CCNc1ncc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2F)s1	ZINC000819751592	607263477	/nfs/dbraw/zinc/26/34/77/607263477.db2.gz	XKBXZZAVYSUBIP-UHFFFAOYSA-N	-1	3	360.374	2.417	20	30		FEEDHM
C[C@H](C#N)COC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1	ZINC000819857338	607323132	/nfs/dbraw/zinc/32/31/32/607323132.db2.gz	RIBIHBTYHUKWBF-LLVKDONJSA-N	-1	3	353.338	2.355	20	30		FEEDHM
C[C@H](C#N)COC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1	ZINC000819857338	607323133	/nfs/dbraw/zinc/32/31/33/607323133.db2.gz	RIBIHBTYHUKWBF-LLVKDONJSA-N	-1	3	353.338	2.355	20	30		FEEDHM
C[C@@H](C#N)COC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1	ZINC000819856322	607323260	/nfs/dbraw/zinc/32/32/60/607323260.db2.gz	IBLLZXSMZRGHTI-NSHDSACASA-N	-1	3	350.338	2.370	20	30		FEEDHM
C[C@@H](C#N)COC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1	ZINC000819856322	607323261	/nfs/dbraw/zinc/32/32/61/607323261.db2.gz	IBLLZXSMZRGHTI-NSHDSACASA-N	-1	3	350.338	2.370	20	30		FEEDHM
N#CC1(C(=O)N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)CCCC1	ZINC000737674453	598236913	/nfs/dbraw/zinc/23/69/13/598236913.db2.gz	JSMIVBAJPFBJKI-UHFFFAOYSA-N	-1	3	366.425	2.320	20	30		FEEDHM
N#CC1(C(=O)N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)CCCC1	ZINC000737674453	598236915	/nfs/dbraw/zinc/23/69/15/598236915.db2.gz	JSMIVBAJPFBJKI-UHFFFAOYSA-N	-1	3	366.425	2.320	20	30		FEEDHM
C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N(CCC#N)CC(C)(C)C	ZINC000736181225	598242626	/nfs/dbraw/zinc/24/26/26/598242626.db2.gz	KRDWAJGYRJCQBW-CYBMUJFWSA-N	-1	3	356.430	2.422	20	30		FEEDHM
C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N(CCC#N)CC(C)(C)C	ZINC000736181225	598242627	/nfs/dbraw/zinc/24/26/27/598242627.db2.gz	KRDWAJGYRJCQBW-CYBMUJFWSA-N	-1	3	356.430	2.422	20	30		FEEDHM
N#Cc1ccc(N2CCN(c3ncccc3-c3nnn[n-]3)CC2)cc1Cl	ZINC000737718570	598275939	/nfs/dbraw/zinc/27/59/39/598275939.db2.gz	NNWCSXXGCKPHGJ-UHFFFAOYSA-N	-1	3	366.816	2.113	20	30		FEEDHM
N#Cc1ccc(N2CCN(c3ncccc3-c3nn[n-]n3)CC2)cc1Cl	ZINC000737718570	598275941	/nfs/dbraw/zinc/27/59/41/598275941.db2.gz	NNWCSXXGCKPHGJ-UHFFFAOYSA-N	-1	3	366.816	2.113	20	30		FEEDHM
CC[C@@H](C#N)NC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1	ZINC000736310340	598331343	/nfs/dbraw/zinc/33/13/43/598331343.db2.gz	XUVWGWNVSSRQFR-NSHDSACASA-N	-1	3	352.354	2.071	20	30		FEEDHM
CC[C@@H](C#N)NC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1	ZINC000736310340	598331345	/nfs/dbraw/zinc/33/13/45/598331345.db2.gz	XUVWGWNVSSRQFR-NSHDSACASA-N	-1	3	352.354	2.071	20	30		FEEDHM
N#CCCCOC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1	ZINC000737687911	598361291	/nfs/dbraw/zinc/36/12/91/598361291.db2.gz	ODDUFUGERVPVEK-UHFFFAOYSA-N	-1	3	353.338	2.499	20	30		FEEDHM
N#CCCCOC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1	ZINC000737687911	598361292	/nfs/dbraw/zinc/36/12/92/598361292.db2.gz	ODDUFUGERVPVEK-UHFFFAOYSA-N	-1	3	353.338	2.499	20	30		FEEDHM
N#CCOc1ccc(CNC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1	ZINC000737695727	598496463	/nfs/dbraw/zinc/49/64/63/598496463.db2.gz	MANRBOUSZULRQT-YFHOEESVSA-N	-1	3	360.377	2.099	20	30		FEEDHM
N#CCOc1ccc(CNC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1	ZINC000737695727	598496464	/nfs/dbraw/zinc/49/64/64/598496464.db2.gz	MANRBOUSZULRQT-YFHOEESVSA-N	-1	3	360.377	2.099	20	30		FEEDHM
N#C[C@H](NC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1)C1CC1	ZINC000737675781	598536681	/nfs/dbraw/zinc/53/66/81/598536681.db2.gz	SCSUAZOKTMJOER-AWEZNQCLSA-N	-1	3	364.365	2.071	20	30		FEEDHM
N#C[C@H](NC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1)C1CC1	ZINC000737675781	598536683	/nfs/dbraw/zinc/53/66/83/598536683.db2.gz	SCSUAZOKTMJOER-AWEZNQCLSA-N	-1	3	364.365	2.071	20	30		FEEDHM
N#C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1cccc(C(F)(F)F)c1	ZINC000737674158	598591219	/nfs/dbraw/zinc/59/12/19/598591219.db2.gz	GXECPOITLHGZIE-CYBMUJFWSA-N	-1	3	373.298	2.275	20	30		FEEDHM
N#C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)c1cccc(C(F)(F)F)c1	ZINC000737674158	598591221	/nfs/dbraw/zinc/59/12/21/598591221.db2.gz	GXECPOITLHGZIE-CYBMUJFWSA-N	-1	3	373.298	2.275	20	30		FEEDHM
N#Cc1ccc(N2CCC[C@H]2C(=O)OCc2ccc(-c3nnn[n-]3)cc2)cc1	ZINC000737719020	598620688	/nfs/dbraw/zinc/62/06/88/598620688.db2.gz	REGMZZNONWTMDX-SFHVURJKSA-N	-1	3	374.404	2.451	20	30		FEEDHM
N#Cc1ccc(N2CCC[C@H]2C(=O)OCc2ccc(-c3nn[n-]n3)cc2)cc1	ZINC000737719020	598620689	/nfs/dbraw/zinc/62/06/89/598620689.db2.gz	REGMZZNONWTMDX-SFHVURJKSA-N	-1	3	374.404	2.451	20	30		FEEDHM
C=CCOc1ccc(C(=O)OCC(=O)c2cccc(-c3nnn[n-]3)c2)cc1	ZINC000823931729	607361531	/nfs/dbraw/zinc/36/15/31/607361531.db2.gz	DOOHNNQGZMSKPK-UHFFFAOYSA-N	-1	3	364.361	2.471	20	30		FEEDHM
C=CCOc1ccc(C(=O)OCC(=O)c2cccc(-c3nn[n-]n3)c2)cc1	ZINC000823931729	607361533	/nfs/dbraw/zinc/36/15/33/607361533.db2.gz	DOOHNNQGZMSKPK-UHFFFAOYSA-N	-1	3	364.361	2.471	20	30		FEEDHM
C=CCNc1nc(C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)cs1	ZINC000735431348	598704420	/nfs/dbraw/zinc/70/44/20/598704420.db2.gz	CGXUBAATCKHODW-UHFFFAOYSA-N	-1	3	360.374	2.417	20	30		FEEDHM
C=CCNc1nc(C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)cs1	ZINC000735431348	598704422	/nfs/dbraw/zinc/70/44/22/598704422.db2.gz	CGXUBAATCKHODW-UHFFFAOYSA-N	-1	3	360.374	2.417	20	30		FEEDHM
N#Cc1cc(F)ccc1COC(=O)CNc1ccc(-c2nn[n-]n2)cc1	ZINC000737704422	598709984	/nfs/dbraw/zinc/70/99/84/598709984.db2.gz	IAPPGLJEMGGHAP-UHFFFAOYSA-N	-1	3	352.329	2.033	20	30		FEEDHM
C=C(C)CN(CC)C(=O)Cn1ccc(-c2ccc(-c3nnn[n-]3)cc2)n1	ZINC000735398657	598801493	/nfs/dbraw/zinc/80/14/93/598801493.db2.gz	NJSVKMSLRVESJR-UHFFFAOYSA-N	-1	3	351.414	2.155	20	30		FEEDHM
C=C(C)CN(CC)C(=O)Cn1ccc(-c2ccc(-c3nn[n-]n3)cc2)n1	ZINC000735398657	598801494	/nfs/dbraw/zinc/80/14/94/598801494.db2.gz	NJSVKMSLRVESJR-UHFFFAOYSA-N	-1	3	351.414	2.155	20	30		FEEDHM
C#CCOc1cc(F)ccc1NCC(=O)Nc1ccc(-c2nnn[n-]2)cc1	ZINC000735381715	599329537	/nfs/dbraw/zinc/32/95/37/599329537.db2.gz	YQPQAGAUXOILKZ-UHFFFAOYSA-N	-1	3	366.356	2.068	20	30		FEEDHM
C#CCOc1cc(F)ccc1NCC(=O)Nc1ccc(-c2nn[n-]n2)cc1	ZINC000735381715	599329540	/nfs/dbraw/zinc/32/95/40/599329540.db2.gz	YQPQAGAUXOILKZ-UHFFFAOYSA-N	-1	3	366.356	2.068	20	30		FEEDHM
C=C(Cl)CNC(=O)c1cc(C2CC2)nc(SC)c1-c1nnn[n-]1	ZINC000735401994	599390046	/nfs/dbraw/zinc/39/00/46/599390046.db2.gz	CYTBBZVEWGNWEH-UHFFFAOYSA-N	-1	3	350.835	2.343	20	30		FEEDHM
O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1ccc2c(c1)OCO2	ZINC000737810227	599462236	/nfs/dbraw/zinc/46/22/36/599462236.db2.gz	YKDXYUAKQJGUCB-ONEGZZNKSA-N	-1	3	360.333	2.139	20	30		FEEDHM
O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1ccc2c(c1)OCO2	ZINC000737810227	599462238	/nfs/dbraw/zinc/46/22/38/599462238.db2.gz	YKDXYUAKQJGUCB-ONEGZZNKSA-N	-1	3	360.333	2.139	20	30		FEEDHM
O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1ccc2c(c1)CCO2	ZINC000737804656	599462421	/nfs/dbraw/zinc/46/24/21/599462421.db2.gz	CZPAYKFZDLSLDD-ARJAWSKDSA-N	-1	3	358.361	2.345	20	30		FEEDHM
O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1ccc2c(c1)CCO2	ZINC000737804656	599462424	/nfs/dbraw/zinc/46/24/24/599462424.db2.gz	CZPAYKFZDLSLDD-ARJAWSKDSA-N	-1	3	358.361	2.345	20	30		FEEDHM
N#Cc1cccc(Cl)c1N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1	ZINC000822836917	599491314	/nfs/dbraw/zinc/49/13/14/599491314.db2.gz	ABHHTJLBXLTZAE-UHFFFAOYSA-N	-1	3	366.816	2.113	20	30		FEEDHM
N#Cc1cccc(Cl)c1N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1	ZINC000822836917	599491315	/nfs/dbraw/zinc/49/13/15/599491315.db2.gz	ABHHTJLBXLTZAE-UHFFFAOYSA-N	-1	3	366.816	2.113	20	30		FEEDHM
COc1cc(CN[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc(OC)c1OC	ZINC000737885862	600591120	/nfs/dbraw/zinc/59/11/20/600591120.db2.gz	KKSMGELQXGRQBU-QGZVFWFLSA-N	-1	3	356.378	2.500	20	30		FEEDHM
COc1ccc(NC(=O)C(C#N)C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)cc1OC	ZINC000832389064	601236518	/nfs/dbraw/zinc/23/65/18/601236518.db2.gz	PNSACHPGKKQFQM-MBNYWOFBSA-N	-1	3	374.393	2.242	20	30		FEEDHM
COc1ccc(CNc2c(-c3nnn[n-]3)cnc3ccccc32)cc1C#N	ZINC000826203417	607559308	/nfs/dbraw/zinc/55/93/08/607559308.db2.gz	NBOXAYWGYMGNFM-UHFFFAOYSA-N	-1	3	357.377	2.329	20	30		FEEDHM
COc1ccc(CNc2c(-c3nn[n-]n3)cnc3ccccc32)cc1C#N	ZINC000826203417	607559309	/nfs/dbraw/zinc/55/93/09/607559309.db2.gz	NBOXAYWGYMGNFM-UHFFFAOYSA-N	-1	3	357.377	2.329	20	30		FEEDHM
N#Cc1cc(Cl)ccc1S(=O)(=O)Oc1cccc(-c2nnn[n-]2)c1	ZINC000826383861	607577836	/nfs/dbraw/zinc/57/78/36/607577836.db2.gz	UYZMSINYYKFKFU-UHFFFAOYSA-N	-1	3	361.770	2.159	20	30		FEEDHM
N#Cc1cc(Cl)ccc1S(=O)(=O)Oc1cccc(-c2nn[n-]n2)c1	ZINC000826383861	607577837	/nfs/dbraw/zinc/57/78/37/607577837.db2.gz	UYZMSINYYKFKFU-UHFFFAOYSA-N	-1	3	361.770	2.159	20	30		FEEDHM
N#Cc1cc(NC(=O)CSCc2cscn2)ccc1-c1nnn[n-]1	ZINC000826384373	607588194	/nfs/dbraw/zinc/58/81/94/607588194.db2.gz	SDYNZQYOOGRURX-UHFFFAOYSA-N	-1	3	357.424	2.067	20	30		FEEDHM
N#Cc1cc(NC(=O)CSCc2cscn2)ccc1-c1nn[n-]n1	ZINC000826384373	607588196	/nfs/dbraw/zinc/58/81/96/607588196.db2.gz	SDYNZQYOOGRURX-UHFFFAOYSA-N	-1	3	357.424	2.067	20	30		FEEDHM
Cc1nnc(-c2cccc(C#N)c2)n1CN1CC[C@H](NC(=O)[O-])[C@H](C)C1	ZINC000740251521	603397683	/nfs/dbraw/zinc/39/76/83/603397683.db2.gz	CKQBUJWASHLCDE-WBMJQRKESA-N	-1	3	354.414	2.061	20	30		FEEDHM
CN(C(=O)[O-])[C@@H]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)C1	ZINC000827890936	603844729	/nfs/dbraw/zinc/84/47/29/603844729.db2.gz	XIWQWKRTVGSMAZ-LLVKDONJSA-N	-1	3	362.455	2.121	20	30		FEEDHM
COc1ccc2c(c1)C(=O)C(=Cc1cnc3ccc(-c4nnn[n-]4)cn13)C2	ZINC000821849980	606154629	/nfs/dbraw/zinc/15/46/29/606154629.db2.gz	UOMPLFFLLNXSDX-NTUHNPAUSA-N	-1	3	358.361	2.345	20	30		FEEDHM
COc1ccc2c(c1)C(=O)C(=Cc1cnc3ccc(-c4nn[n-]n4)cn13)C2	ZINC000821849980	606154630	/nfs/dbraw/zinc/15/46/30/606154630.db2.gz	UOMPLFFLLNXSDX-NTUHNPAUSA-N	-1	3	358.361	2.345	20	30		FEEDHM
O=C(OCC#Cc1ccc(C(F)(F)F)cc1)c1cc(-c2nnn[n-]2)c[nH]1	ZINC000823396447	606191997	/nfs/dbraw/zinc/19/19/97/606191997.db2.gz	JOWKXFCVYYFRRL-UHFFFAOYSA-N	-1	3	361.283	2.422	20	30		FEEDHM
O=C(OCC#Cc1ccc(C(F)(F)F)cc1)c1cc(-c2nn[n-]n2)c[nH]1	ZINC000823396447	606191999	/nfs/dbraw/zinc/19/19/99/606191999.db2.gz	JOWKXFCVYYFRRL-UHFFFAOYSA-N	-1	3	361.283	2.422	20	30		FEEDHM
Fc1ccc(C2N=NC(=S)N2N=Cc2cc(-c3nnn[n-]3)cs2)cc1	ZINC000822753937	606204500	/nfs/dbraw/zinc/20/45/00/606204500.db2.gz	RZKBMNWDLHGXPJ-UHFFFAOYSA-N	-1	3	372.414	2.497	20	30		FEEDHM
Fc1ccc(C2N=NC(=S)N2N=Cc2cc(-c3nn[n-]n3)cs2)cc1	ZINC000822753937	606204502	/nfs/dbraw/zinc/20/45/02/606204502.db2.gz	RZKBMNWDLHGXPJ-UHFFFAOYSA-N	-1	3	372.414	2.497	20	30		FEEDHM
S=C1N=NC(c2cccs2)N1N=Cc1cc(-c2nnn[n-]2)cs1	ZINC000823737747	606205283	/nfs/dbraw/zinc/20/52/83/606205283.db2.gz	JUHQMBWAOVSKKZ-UHFFFAOYSA-N	-1	3	360.453	2.419	20	30		FEEDHM
S=C1N=NC(c2cccs2)N1N=Cc1cc(-c2nn[n-]n2)cs1	ZINC000823737747	606205284	/nfs/dbraw/zinc/20/52/84/606205284.db2.gz	JUHQMBWAOVSKKZ-UHFFFAOYSA-N	-1	3	360.453	2.419	20	30		FEEDHM
CN(C)c1ccc(NC(=S)NN=Cc2cc(-c3nnn[n-]3)cs2)cc1	ZINC000821589711	606205847	/nfs/dbraw/zinc/20/58/47/606205847.db2.gz	ZTVROZDUWKYNCY-UHFFFAOYSA-N	-1	3	372.483	2.315	20	30		FEEDHM
CN(C)c1ccc(NC(=S)NN=Cc2cc(-c3nn[n-]n3)cs2)cc1	ZINC000821589711	606205848	/nfs/dbraw/zinc/20/58/48/606205848.db2.gz	ZTVROZDUWKYNCY-UHFFFAOYSA-N	-1	3	372.483	2.315	20	30		FEEDHM
Cn1cc(-c2nnn[n-]2)cc1C(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1	ZINC000822631726	606287914	/nfs/dbraw/zinc/28/79/14/606287914.db2.gz	GLKBTANEHUXGFF-HNNXBMFYSA-N	-1	3	363.425	2.497	20	30		FEEDHM
Cn1cc(-c2nn[n-]n2)cc1C(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1	ZINC000822631726	606287916	/nfs/dbraw/zinc/28/79/16/606287916.db2.gz	GLKBTANEHUXGFF-HNNXBMFYSA-N	-1	3	363.425	2.497	20	30		FEEDHM
O=C1C(=Cc2cc(-c3nnn[n-]3)cs2)COc2cc3c(cc21)OCO3	ZINC000823504796	606306688	/nfs/dbraw/zinc/30/66/88/606306688.db2.gz	UQKKCNALSQCSLB-UNXLUWIOSA-N	-1	3	354.347	2.316	20	30		FEEDHM
O=C1C(=Cc2cc(-c3nn[n-]n3)cs2)COc2cc3c(cc21)OCO3	ZINC000823504796	606306690	/nfs/dbraw/zinc/30/66/90/606306690.db2.gz	UQKKCNALSQCSLB-UNXLUWIOSA-N	-1	3	354.347	2.316	20	30		FEEDHM
COc1ccc2c(c1)OC(=Cc1cnc3ccc(-c4nnn[n-]4)cn13)C2=O	ZINC000821850151	606429302	/nfs/dbraw/zinc/42/93/02/606429302.db2.gz	XHLARGPRJWZTMP-UUASQNMZSA-N	-1	3	360.333	2.139	20	30		FEEDHM
COc1ccc2c(c1)OC(=Cc1cnc3ccc(-c4nn[n-]n4)cn13)C2=O	ZINC000821850151	606429303	/nfs/dbraw/zinc/42/93/03/606429303.db2.gz	XHLARGPRJWZTMP-UUASQNMZSA-N	-1	3	360.333	2.139	20	30		FEEDHM
N#Cc1ccccc1CSCCNC(=O)c1cc(-c2nnn[n-]2)cs1	ZINC000822842299	606484544	/nfs/dbraw/zinc/48/45/44/606484544.db2.gz	AXMLQEFTMURYHP-UHFFFAOYSA-N	-1	3	370.463	2.463	20	30		FEEDHM
N#Cc1ccccc1CSCCNC(=O)c1cc(-c2nn[n-]n2)cs1	ZINC000822842299	606484547	/nfs/dbraw/zinc/48/45/47/606484547.db2.gz	AXMLQEFTMURYHP-UHFFFAOYSA-N	-1	3	370.463	2.463	20	30		FEEDHM
CC[C@@H](C#N)OC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1	ZINC000820843353	606614403	/nfs/dbraw/zinc/61/44/03/606614403.db2.gz	WYGJPUOEZOVZGG-NSHDSACASA-N	-1	3	353.338	2.498	20	30		FEEDHM
CC[C@@H](C#N)OC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1	ZINC000820843353	606614404	/nfs/dbraw/zinc/61/44/04/606614404.db2.gz	WYGJPUOEZOVZGG-NSHDSACASA-N	-1	3	353.338	2.498	20	30		FEEDHM
C[C@@H](CC#N)N(C)CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2	ZINC000820220944	606660354	/nfs/dbraw/zinc/66/03/54/606660354.db2.gz	ZYRGQXKIWXQMNZ-NSHDSACASA-N	-1	3	373.486	2.370	20	30		FEEDHM
C[C@@H](CC#N)N(C)CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2	ZINC000820220944	606660355	/nfs/dbraw/zinc/66/03/55/606660355.db2.gz	ZYRGQXKIWXQMNZ-NSHDSACASA-N	-1	3	373.486	2.370	20	30		FEEDHM
N#Cc1ccc(F)c(CNC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c1	ZINC000822829709	606683718	/nfs/dbraw/zinc/68/37/18/606683718.db2.gz	FNYLILMTTOQEQQ-UHFFFAOYSA-N	-1	3	358.283	2.086	20	30		FEEDHM
N#Cc1ccc(F)c(CNC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1	ZINC000822829709	606683719	/nfs/dbraw/zinc/68/37/19/606683719.db2.gz	FNYLILMTTOQEQQ-UHFFFAOYSA-N	-1	3	358.283	2.086	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](C)C1CCOCC1	ZINC000819744184	606812248	/nfs/dbraw/zinc/81/22/48/606812248.db2.gz	ZJFBSUCGWUHYLD-AWEZNQCLSA-N	-1	3	370.457	2.379	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](C)C1CCOCC1	ZINC000819744184	606812249	/nfs/dbraw/zinc/81/22/49/606812249.db2.gz	ZJFBSUCGWUHYLD-AWEZNQCLSA-N	-1	3	370.457	2.379	20	30		FEEDHM
C[C@@H](C#N)CNC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1	ZINC000819844261	606832784	/nfs/dbraw/zinc/83/27/84/606832784.db2.gz	AAOZVJPTUBKKTO-NSHDSACASA-N	-1	3	364.369	2.335	20	30		FEEDHM
C[C@@H](C#N)CNC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1	ZINC000819844261	606832786	/nfs/dbraw/zinc/83/27/86/606832786.db2.gz	AAOZVJPTUBKKTO-NSHDSACASA-N	-1	3	364.369	2.335	20	30		FEEDHM
COc1cc(C(C)=NNc2cccc(-c3nnn[n-]3)c2)c(OC)cc1O	ZINC000821708196	606836523	/nfs/dbraw/zinc/83/65/23/606836523.db2.gz	LLSNYRFTRHKKHW-UHFFFAOYSA-N	-1	3	354.370	2.426	20	30		FEEDHM
COc1cc(C(C)=NNc2cccc(-c3nn[n-]n3)c2)c(OC)cc1O	ZINC000821708196	606836524	/nfs/dbraw/zinc/83/65/24/606836524.db2.gz	LLSNYRFTRHKKHW-UHFFFAOYSA-N	-1	3	354.370	2.426	20	30		FEEDHM
Cc1ccc(-c2nnn[n-]2)cc1OS(=O)(=O)c1ccc(C#N)cc1C	ZINC000822222467	607049440	/nfs/dbraw/zinc/04/94/40/607049440.db2.gz	IDQWLQCOPYPMLU-UHFFFAOYSA-N	-1	3	355.379	2.123	20	30		FEEDHM
Cc1ccc(-c2nn[n-]n2)cc1OS(=O)(=O)c1ccc(C#N)cc1C	ZINC000822222467	607049441	/nfs/dbraw/zinc/04/94/41/607049441.db2.gz	IDQWLQCOPYPMLU-UHFFFAOYSA-N	-1	3	355.379	2.123	20	30		FEEDHM
N#CCOc1ccccc1C(=O)OCc1cc(F)ccc1-c1nnn[n-]1	ZINC000822815577	607080696	/nfs/dbraw/zinc/08/06/96/607080696.db2.gz	TZHMUOPCFBWZTO-UHFFFAOYSA-N	-1	3	353.313	2.265	20	30		FEEDHM
N#CCOc1ccccc1C(=O)OCc1cc(F)ccc1-c1nn[n-]n1	ZINC000822815577	607080697	/nfs/dbraw/zinc/08/06/97/607080697.db2.gz	TZHMUOPCFBWZTO-UHFFFAOYSA-N	-1	3	353.313	2.265	20	30		FEEDHM
CCOc1nc2sccn2c1C=NNc1ccc(-c2nn[n-]n2)cc1	ZINC000825659427	607816224	/nfs/dbraw/zinc/81/62/24/607816224.db2.gz	SRPPMFLUSAAZRI-UHFFFAOYSA-N	-1	3	354.399	2.421	20	30		FEEDHM
C[C@@H](C#N)CN(Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)C1CC1	ZINC000824033861	607831376	/nfs/dbraw/zinc/83/13/76/607831376.db2.gz	CKWQSMNGZOFAOK-NSHDSACASA-N	-1	3	350.386	2.041	20	30		FEEDHM
C[C@@H](C#N)CN(Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)C1CC1	ZINC000824033861	607831377	/nfs/dbraw/zinc/83/13/77/607831377.db2.gz	CKWQSMNGZOFAOK-NSHDSACASA-N	-1	3	350.386	2.041	20	30		FEEDHM
Cc1nc(-c2cccc(C#N)c2)nn1C[C@H](O)c1ccc(-c2nnn[n-]2)cc1	ZINC000826322356	607869230	/nfs/dbraw/zinc/86/92/30/607869230.db2.gz	JGYRYERMGBUHEJ-KRWDZBQOSA-N	-1	3	372.392	2.039	20	30		FEEDHM
Cc1nc(-c2cccc(C#N)c2)nn1C[C@H](O)c1ccc(-c2nn[n-]n2)cc1	ZINC000826322356	607869231	/nfs/dbraw/zinc/86/92/31/607869231.db2.gz	JGYRYERMGBUHEJ-KRWDZBQOSA-N	-1	3	372.392	2.039	20	30		FEEDHM
Cc1ccc(-c2nnn[n-]2)cc1OC[C@H](O)COc1ccc(CC#N)cc1	ZINC000826278455	607877152	/nfs/dbraw/zinc/87/71/52/607877152.db2.gz	CWQCARWUKMFGHL-MRXNPFEDSA-N	-1	3	365.393	2.060	20	30		FEEDHM
Cc1ccc(-c2nn[n-]n2)cc1OC[C@H](O)COc1ccc(CC#N)cc1	ZINC000826278455	607877153	/nfs/dbraw/zinc/87/71/53/607877153.db2.gz	CWQCARWUKMFGHL-MRXNPFEDSA-N	-1	3	365.393	2.060	20	30		FEEDHM
C=C(C)[C@@H](CC(=O)N(CCOC)Cc1ccc(-c2nnn[n-]2)cc1)OCC	ZINC000823873076	607881704	/nfs/dbraw/zinc/88/17/04/607881704.db2.gz	HQWMSLQJCCCXJI-QGZVFWFLSA-N	-1	3	373.457	2.213	20	30		FEEDHM
C=C(C)[C@@H](CC(=O)N(CCOC)Cc1ccc(-c2nn[n-]n2)cc1)OCC	ZINC000823873076	607881705	/nfs/dbraw/zinc/88/17/05/607881705.db2.gz	HQWMSLQJCCCXJI-QGZVFWFLSA-N	-1	3	373.457	2.213	20	30		FEEDHM
C#CCOCCC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1	ZINC000823856224	607882202	/nfs/dbraw/zinc/88/22/02/607882202.db2.gz	MZRMSUOXKWXXQI-UHFFFAOYSA-N	-1	3	364.365	2.032	20	30		FEEDHM
CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21	ZINC000824178555	607951278	/nfs/dbraw/zinc/95/12/78/607951278.db2.gz	XGVCNKYVXPUWOY-UHFFFAOYSA-N	-1	3	374.404	2.485	20	30		FEEDHM
CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21	ZINC000824178555	607951279	/nfs/dbraw/zinc/95/12/79/607951279.db2.gz	XGVCNKYVXPUWOY-UHFFFAOYSA-N	-1	3	374.404	2.485	20	30		FEEDHM
C=C[C@H](CC(=O)NCCNc1ccc(-c2nnn[n-]2)cn1)c1ccccc1	ZINC000823883232	607970797	/nfs/dbraw/zinc/97/07/97/607970797.db2.gz	LQVQLQSBDKMXOE-CQSZACIVSA-N	-1	3	363.425	2.150	20	30		FEEDHM
C=C[C@H](CC(=O)NCCNc1ccc(-c2nn[n-]n2)cn1)c1ccccc1	ZINC000823883232	607970798	/nfs/dbraw/zinc/97/07/98/607970798.db2.gz	LQVQLQSBDKMXOE-CQSZACIVSA-N	-1	3	363.425	2.150	20	30		FEEDHM
COc1ccc(CON=C2CCC3(CC2)OCCO3)cc1-c1nnn[n-]1	ZINC000826206776	607972742	/nfs/dbraw/zinc/97/27/42/607972742.db2.gz	KSDQEYLRUZCIQA-UHFFFAOYSA-N	-1	3	359.386	2.065	20	30		FEEDHM
COc1ccc(CON=C2CCC3(CC2)OCCO3)cc1-c1nn[n-]n1	ZINC000826206776	607972743	/nfs/dbraw/zinc/97/27/43/607972743.db2.gz	KSDQEYLRUZCIQA-UHFFFAOYSA-N	-1	3	359.386	2.065	20	30		FEEDHM
N#Cc1cc2c(nc1N1CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C1)CCC2	ZINC000826384125	608053321	/nfs/dbraw/zinc/05/33/21/608053321.db2.gz	HWESRRAVTJRWIM-GOSISDBHSA-N	-1	3	373.420	2.200	20	30		FEEDHM
N#Cc1cc2c(nc1N1CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C1)CCC2	ZINC000826384125	608053322	/nfs/dbraw/zinc/05/33/22/608053322.db2.gz	HWESRRAVTJRWIM-GOSISDBHSA-N	-1	3	373.420	2.200	20	30		FEEDHM
N#C[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)s2)CCN1Cc1ccccc1	ZINC000826380512	608495972	/nfs/dbraw/zinc/49/59/72/608495972.db2.gz	CQLNLXOFTNJVLC-OAHLLOKOSA-N	-1	3	365.466	2.138	20	30		FEEDHM
Cc1cccc2ncc(CN=Nc3cc(-c4nnn[n-]4)cc(Cl)n3)n21	ZINC000826304937	608540807	/nfs/dbraw/zinc/54/08/07/608540807.db2.gz	DZOMQVLQWHXCAM-UHFFFAOYSA-N	-1	3	353.777	2.317	20	30		FEEDHM
Cc1cccc2ncc(CN=Nc3cc(-c4nn[n-]n4)cc(Cl)n3)n21	ZINC000826304937	608540808	/nfs/dbraw/zinc/54/08/08/608540808.db2.gz	DZOMQVLQWHXCAM-UHFFFAOYSA-N	-1	3	353.777	2.317	20	30		FEEDHM
O=C1c2ccccc2S(=O)(=O)CC1=Cc1ccc(F)c(-c2nnn[n-]2)c1	ZINC000826476059	608878054	/nfs/dbraw/zinc/87/80/54/608878054.db2.gz	ZVUPFJSTESQZNO-XFFZJAGNSA-N	-1	3	370.365	2.059	20	30		FEEDHM
O=C1c2ccccc2S(=O)(=O)CC1=Cc1ccc(F)c(-c2nn[n-]n2)c1	ZINC000826476059	608878055	/nfs/dbraw/zinc/87/80/55/608878055.db2.gz	ZVUPFJSTESQZNO-XFFZJAGNSA-N	-1	3	370.365	2.059	20	30		FEEDHM
O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc2c(c1)NC(=O)CO2	ZINC000826481855	608878172	/nfs/dbraw/zinc/87/81/72/608878172.db2.gz	KHDOZYXJLXAHLK-DJWKRKHSSA-N	-1	3	365.324	2.233	20	30		FEEDHM
O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc2c(c1)NC(=O)CO2	ZINC000826481855	608878175	/nfs/dbraw/zinc/87/81/75/608878175.db2.gz	KHDOZYXJLXAHLK-DJWKRKHSSA-N	-1	3	365.324	2.233	20	30		FEEDHM
CC1(C#N)CCN(Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)CC1	ZINC000824777943	609142527	/nfs/dbraw/zinc/14/25/27/609142527.db2.gz	LOTODQKMNYJTEZ-UHFFFAOYSA-N	-1	3	350.386	2.042	20	30		FEEDHM
CC1(C#N)CCN(Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)CC1	ZINC000824777943	609142528	/nfs/dbraw/zinc/14/25/28/609142528.db2.gz	LOTODQKMNYJTEZ-UHFFFAOYSA-N	-1	3	350.386	2.042	20	30		FEEDHM
Cc1ccc(NN=Cc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)nc1	ZINC000826291358	609306082	/nfs/dbraw/zinc/30/60/82/609306082.db2.gz	BIPYACJJIMMHEX-UHFFFAOYSA-N	-1	3	359.397	2.417	20	30		FEEDHM
COCC#CCOC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1	ZINC000826147394	609351888	/nfs/dbraw/zinc/35/18/88/609351888.db2.gz	WDGMUUFAUZEABH-UHFFFAOYSA-N	-1	3	364.361	2.466	20	30		FEEDHM
COCC#CCOC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1	ZINC000826147394	609351889	/nfs/dbraw/zinc/35/18/89/609351889.db2.gz	WDGMUUFAUZEABH-UHFFFAOYSA-N	-1	3	364.361	2.466	20	30		FEEDHM
CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1[N+](=O)[O-]	ZINC000823953811	609467683	/nfs/dbraw/zinc/46/76/83/609467683.db2.gz	RBURYWDSUPNUKI-UHFFFAOYSA-N	-1	3	355.333	2.428	20	30		FEEDHM
CC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1[N+](=O)[O-]	ZINC000823953811	609467687	/nfs/dbraw/zinc/46/76/87/609467687.db2.gz	RBURYWDSUPNUKI-UHFFFAOYSA-N	-1	3	355.333	2.428	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)cc2)c(Cl)c1	ZINC000826385788	609533333	/nfs/dbraw/zinc/53/33/33/609533333.db2.gz	AJZKGPHXTROVCC-UHFFFAOYSA-N	-1	3	361.770	2.159	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1	ZINC000826385788	609533336	/nfs/dbraw/zinc/53/33/36/609533336.db2.gz	AJZKGPHXTROVCC-UHFFFAOYSA-N	-1	3	361.770	2.159	20	30		FEEDHM
O=S(=O)(OCC(F)(F)C(F)F)c1ccc(-c2nnn[n-]2)cc1Cl	ZINC000826493729	609535552	/nfs/dbraw/zinc/53/55/52/609535552.db2.gz	ZVJDKVHMYSKFPK-UHFFFAOYSA-N	-1	3	374.703	2.126	20	30		FEEDHM
O=S(=O)(OCC(F)(F)C(F)F)c1ccc(-c2nn[n-]n2)cc1Cl	ZINC000826493729	609535553	/nfs/dbraw/zinc/53/55/53/609535553.db2.gz	ZVJDKVHMYSKFPK-UHFFFAOYSA-N	-1	3	374.703	2.126	20	30		FEEDHM
C=C(C)[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1ccc(Cl)c2nonc21	ZINC000814393352	674840691	/nfs/dbraw/zinc/84/06/91/674840691.db2.gz	ZRWBURJCKYJFBI-XPTSAGLGSA-N	-1	3	357.819	2.136	20	30		FEEDHM
C[C@H](COC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21)C1CCCCC1	ZINC000815174773	674925895	/nfs/dbraw/zinc/92/58/95/674925895.db2.gz	LFXIUMAQIYEABP-CYBMUJFWSA-N	-1	3	364.467	2.485	20	30		FEEDHM
O=C(Cc1csc(-c2ccccc2Cl)n1)N[C@H]1CCN([O-])C1=O	ZINC000816691287	675073369	/nfs/dbraw/zinc/07/33/69/675073369.db2.gz	OLGJPDVUTFXCSW-LBPRGKRZSA-N	-1	3	351.815	2.112	20	30		FEEDHM
C[C@@H](Sc1ccc(Br)cc1)C(=O)N[C@@H]1CCN([O-])C1=O	ZINC000816692533	675073375	/nfs/dbraw/zinc/07/33/75/675073375.db2.gz	QCCRLYOUEOVHDI-LDYMZIIASA-N	-1	3	359.245	2.036	20	30		FEEDHM
COc1cc(C(=O)N[C@H]2CCN([O-])C2=O)cc(Cl)c1OCCC(C)C	ZINC000816697130	675073888	/nfs/dbraw/zinc/07/38/88/675073888.db2.gz	SFVDCCNUHNSKLJ-ZDUSSCGKSA-N	-1	3	370.833	2.493	20	30		FEEDHM
O=C(N[C@H]1CCCN([O-])C1=O)c1cc(Cl)cc(Br)c1F	ZINC000816759095	675077982	/nfs/dbraw/zinc/07/79/82/675077982.db2.gz	DYIZAMDFQLOUTQ-VIFPVBQESA-N	-1	3	365.586	2.352	20	30		FEEDHM
CC(C)n1cc(C(C)(C)[N-]S(=O)(=O)c2cccc(F)c2C#N)nn1	ZINC000817154335	675106434	/nfs/dbraw/zinc/10/64/34/675106434.db2.gz	OPAYFXTWSXSUPB-UHFFFAOYSA-N	-1	3	351.407	2.083	20	30		FEEDHM
CC(C)[N-]S(=O)(=O)c1cc(C(=O)N(CCC#N)CC2CC2)ccc1F	ZINC000103437917	670783256	/nfs/dbraw/zinc/78/32/56/670783256.db2.gz	FHOMVGSYIJLHGX-UHFFFAOYSA-N	-1	3	367.446	2.278	20	30		FEEDHM
COc1cc(F)c(Br)cc1S(=O)(=O)[N-]C(C)(C)C#N	ZINC000576360817	671363270	/nfs/dbraw/zinc/36/32/70/671363270.db2.gz	ODVQWQNLJRARPZ-UHFFFAOYSA-N	-1	3	351.197	2.177	20	30		FEEDHM
COC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)cc1	ZINC000609106630	675910367	/nfs/dbraw/zinc/91/03/67/675910367.db2.gz	MGAHEMNUCDRFEJ-UHFFFAOYSA-N	-1	3	364.354	2.050	20	30		FEEDHM
Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc2c(c1F)CCNC2=O	ZINC000577287835	671585414	/nfs/dbraw/zinc/58/54/14/671585414.db2.gz	FSWPDGDINDEXGZ-UHFFFAOYSA-N	-1	3	359.382	2.093	20	30		FEEDHM
CCCCCCCCCNC(=O)Cn1cc(Br)c(=O)[n-]c1=O	ZINC000128015924	672044650	/nfs/dbraw/zinc/04/46/50/672044650.db2.gz	HUYOYERBYFJMEX-UHFFFAOYSA-N	-1	3	374.279	2.166	20	30		FEEDHM
N#Cc1c[nH]c(C(=O)Nc2cc(I)ccc2[O-])c1	ZINC000610490978	675975692	/nfs/dbraw/zinc/97/56/92/675975692.db2.gz	OPTSFDCIWBWSCL-UHFFFAOYSA-N	-1	3	353.119	2.449	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N(CC)c2cccnc2)ccc1F	ZINC000171502187	672332840	/nfs/dbraw/zinc/33/28/40/672332840.db2.gz	SVZXMQINXRZECS-UHFFFAOYSA-N	-1	3	363.414	2.352	20	30		FEEDHM
O=C(CNC(=O)c1cc(F)c(C(F)(F)F)c(F)c1)[N-]CC(F)(F)F	ZINC000683187726	672821065	/nfs/dbraw/zinc/82/10/65/672821065.db2.gz	SZQSTHQEGKVJKX-UHFFFAOYSA-N	-1	3	364.192	2.392	20	30		FEEDHM
COc1cccc2c1OCC[C@@H]2[N-]S(=O)(=O)c1ccsc1C#N	ZINC000593539877	672937440	/nfs/dbraw/zinc/93/74/40/672937440.db2.gz	HVVVNBGMFANHPB-NSHDSACASA-N	-1	3	350.421	2.430	20	30		FEEDHM
Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1	ZINC000329520068	673078680	/nfs/dbraw/zinc/07/86/80/673078680.db2.gz	OFUBBLORMHBVKC-BFHYXJOUSA-N	-1	3	355.460	2.495	20	30		FEEDHM
Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)NC[C@]1(C)CCCS1	ZINC000329817223	673083927	/nfs/dbraw/zinc/08/39/27/673083927.db2.gz	WMKIJOGMWJRLHG-HZMBPMFUSA-N	-1	3	361.489	2.200	20	30		FEEDHM
CO[C@@H](CS(=O)(=O)[N-]c1cccc(OCCCC#N)c1)[C@@H]1CCOC1	ZINC000594696170	673117504	/nfs/dbraw/zinc/11/75/04/673117504.db2.gz	XQJFPSBMGYSTGU-PBHICJAKSA-N	-1	3	368.455	2.162	20	30		FEEDHM
Cc1ncc(CO)c(C=NNCc2ccc(Br)cc2)c1[O-]	ZINC000726740073	673137629	/nfs/dbraw/zinc/13/76/29/673137629.db2.gz	RARPHDVWIBCKMF-UHFFFAOYSA-N	-1	3	350.216	2.474	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-]C[C@@H](OC1CCCC1)C(F)(F)F	ZINC000594820036	673152382	/nfs/dbraw/zinc/15/23/82/673152382.db2.gz	YTKZYDJPNHGZLM-CYBMUJFWSA-N	-1	3	363.361	2.122	20	30		FEEDHM
C=CCC1([N-]S(=O)(=O)c2cccc(F)c2C(=O)OC)CCOCC1	ZINC000594843852	673159413	/nfs/dbraw/zinc/15/94/13/673159413.db2.gz	CLVHKADSUMDQIW-UHFFFAOYSA-N	-1	3	357.403	2.016	20	30		FEEDHM
COc1ccc(-c2cc(C[N-]S(=O)(=O)CC3(C#N)CCC3)on2)cc1	ZINC000594843864	673159665	/nfs/dbraw/zinc/15/96/65/673159665.db2.gz	CQXOSKVYPWCSDD-UHFFFAOYSA-N	-1	3	361.423	2.463	20	30		FEEDHM
CCNC([S-])=C(C([O-])=C1C=CC(=NC(N)=O)C=C1)[n+]1cccc(C)c1	ZINC000732177385	673356316	/nfs/dbraw/zinc/35/63/16/673356316.db2.gz	IJRSTQJERHRLSR-UHFFFAOYSA-O	-1	3	357.459	2.406	20	30		FEEDHM
C=C(Cl)CNC(=O)[C@H](CCCC)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000736239040	673516866	/nfs/dbraw/zinc/51/68/66/673516866.db2.gz	PTOBPQMOQQOKOP-ZDUSSCGKSA-N	-1	3	369.874	2.153	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(-c2nc(CC(F)(F)F)no2)ccc1F	ZINC000544951356	673741185	/nfs/dbraw/zinc/74/11/85/673741185.db2.gz	YYVJWSLRCQXTFE-UHFFFAOYSA-N	-1	3	365.308	2.445	20	30		FEEDHM
O=C([N-]CCC(F)(F)F)C(=O)Nc1c(F)c(F)c(F)c(F)c1F	ZINC000743992882	673778068	/nfs/dbraw/zinc/77/80/68/673778068.db2.gz	DVHCZNYCDIYIPS-UHFFFAOYSA-N	-1	3	350.165	2.389	20	30		FEEDHM
COCc1nc(C[N-]S(=O)(=O)c2c(C)cc(F)cc2C#N)cs1	ZINC000601415392	673858811	/nfs/dbraw/zinc/85/88/11/673858811.db2.gz	FRRKREVSJCKSJT-UHFFFAOYSA-N	-1	3	355.416	2.087	20	30		FEEDHM
N#Cc1cccc(OS(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)c1	ZINC000746401176	673876148	/nfs/dbraw/zinc/87/61/48/673876148.db2.gz	LIUCPDHDVAVBEK-UHFFFAOYSA-N	-1	3	361.770	2.159	20	30		FEEDHM
N#Cc1cccc(OS(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)c1	ZINC000746401176	673876149	/nfs/dbraw/zinc/87/61/49/673876149.db2.gz	LIUCPDHDVAVBEK-UHFFFAOYSA-N	-1	3	361.770	2.159	20	30		FEEDHM
O=C(N[C@H]1CCN([O-])C1=O)C1(c2cccc(OC(F)(F)F)c2)CCC1	ZINC000820133704	675338567	/nfs/dbraw/zinc/33/85/67/675338567.db2.gz	ZDEYIMPPNCLZEQ-LBPRGKRZSA-N	-1	3	358.316	2.113	20	30		FEEDHM
O=C(CCCSc1ccc(Br)cc1)N[C@@H]1CCN([O-])C1=O	ZINC000820155829	675339704	/nfs/dbraw/zinc/33/97/04/675339704.db2.gz	AFZYJFKYBIGICP-GFCCVEGCSA-N	-1	3	373.272	2.428	20	30		FEEDHM
O=C(N[C@@H]1CCN([O-])C1=O)c1ccc(Br)c(C(F)(F)F)c1	ZINC000820149586	675339807	/nfs/dbraw/zinc/33/98/07/675339807.db2.gz	QACOVNKKISBFER-SECBINFHSA-N	-1	3	367.121	2.188	20	30		FEEDHM
Cc1nc(CSc2ccccc2C(=O)N[C@@H]2CCN([O-])C2=O)cs1	ZINC000820185172	675342240	/nfs/dbraw/zinc/34/22/40/675342240.db2.gz	JJXBXIFKLCFCNK-CYBMUJFWSA-N	-1	3	363.464	2.464	20	30		FEEDHM
Cc1c(Cl)c(Cn2cnc(C#N)c2-c2nnn[n-]2)nc2ccccc12	ZINC000826236570	675684755	/nfs/dbraw/zinc/68/47/55/675684755.db2.gz	SAFKSBPMQMDXME-UHFFFAOYSA-N	-1	3	350.773	2.493	20	30		FEEDHM
C=CC[C@H]1CCCN(C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)C1	ZINC000617783816	676304708	/nfs/dbraw/zinc/30/47/08/676304708.db2.gz	HLULJCTZSQISPG-NSHDSACASA-N	-1	3	362.904	2.495	20	30		FEEDHM
CCN(CCC1CC1)C(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000760989546	680706880	/nfs/dbraw/zinc/70/68/80/680706880.db2.gz	ZPGVEECDQZBXIG-ZDUSSCGKSA-N	-1	3	363.483	2.152	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)O[C@@H]2CCC(C)(C)C2=O)ccc1F	ZINC000840198384	680806650	/nfs/dbraw/zinc/80/66/50/680806650.db2.gz	GVZJATYFCIUEAB-CYBMUJFWSA-N	-1	3	369.414	2.205	20	30		FEEDHM
C#CCOc1ccc([C@@H](C)OC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C)cc1	ZINC000764634826	680817592	/nfs/dbraw/zinc/81/75/92/680817592.db2.gz	WEDIHVSVQIDKEF-CZUORRHYSA-N	-1	3	367.467	2.267	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)NCCSCC(C)C)ccc1F	ZINC000756246358	680469163	/nfs/dbraw/zinc/46/91/63/680469163.db2.gz	VMURDZILQAPLTH-UHFFFAOYSA-N	-1	3	374.503	2.409	20	30		FEEDHM
C=CCONC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl	ZINC000837043824	680546149	/nfs/dbraw/zinc/54/61/49/680546149.db2.gz	FPBUXZRFVRPSGU-UHFFFAOYSA-N	-1	3	365.238	2.282	20	30		FEEDHM
CC[C@]1(C)CCN(C(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)C1	ZINC000758665452	680600528	/nfs/dbraw/zinc/60/05/28/680600528.db2.gz	HANAYBSEHGXCJT-SCLBCKFNSA-N	-1	3	363.483	2.152	20	30		FEEDHM
C[C@H](CC(=O)N(C)C1CC(C)(C)C1)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000838150717	680676166	/nfs/dbraw/zinc/67/61/66/680676166.db2.gz	OVXFQNOPFIKOLZ-GFCCVEGCSA-N	-1	3	363.483	2.151	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)c2cnccc2C)ccc1F	ZINC000766824491	680889158	/nfs/dbraw/zinc/88/91/58/680889158.db2.gz	XULHSMMMYAFZRZ-UHFFFAOYSA-N	-1	3	363.414	2.270	20	30		FEEDHM
C#CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)C(=O)OC	ZINC000841541676	680894663	/nfs/dbraw/zinc/89/46/63/680894663.db2.gz	VGLFZDJFSRLDOT-SNVBAGLBSA-N	-1	3	369.748	2.202	20	30		FEEDHM
CCCCC[C@H]1CCCN1C(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000768346217	680944748	/nfs/dbraw/zinc/94/47/48/680944748.db2.gz	QFMMMHWXNFRATM-AWEZNQCLSA-N	-1	3	363.483	2.296	20	30		FEEDHM
CCCCC[C@@H]1CCCN1C(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000768346218	680944759	/nfs/dbraw/zinc/94/47/59/680944759.db2.gz	QFMMMHWXNFRATM-CQSZACIVSA-N	-1	3	363.483	2.296	20	30		FEEDHM
C[C@H](CC(=O)N[C@@H](C)CCC1CC1)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000769645488	680990143	/nfs/dbraw/zinc/99/01/43/680990143.db2.gz	OBYOLBKSCGZLBD-QWHCGFSZSA-N	-1	3	363.483	2.199	20	30		FEEDHM
C[C@H](CC(=O)N(C)CCC(C)(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000844011669	681030893	/nfs/dbraw/zinc/03/08/93/681030893.db2.gz	ALVGZKWZQSVTDL-CYBMUJFWSA-N	-1	3	365.499	2.398	20	30		FEEDHM
C#C[C@H]([N-]S(=O)(=O)c1sc(Br)cc1C)[C@H]1CCCO1	ZINC000845913264	681161879	/nfs/dbraw/zinc/16/18/79/681161879.db2.gz	YHUVPGAPXMLNFQ-VHSXEESVSA-N	-1	3	364.286	2.278	20	30		FEEDHM
CCOCCOc1ccc(Br)cc1C=NN=c1cc[n-]n1C	ZINC000774411363	681185034	/nfs/dbraw/zinc/18/50/34/681185034.db2.gz	QMWYRFVFPZSGJK-UHFFFAOYSA-N	-1	3	367.247	2.466	20	30		FEEDHM
N#Cc1cc([O-])cc(C(=O)OCc2cc(=O)n3cc(Cl)ccc3n2)c1	ZINC000776274877	681378317	/nfs/dbraw/zinc/37/83/17/681378317.db2.gz	PQGGJPMXFMJMSG-UHFFFAOYSA-N	-1	3	355.737	2.282	20	30		FEEDHM
CC(C)(C(=O)N[C@H]1CCCN([O-])C1=O)c1ccccc1Br	ZINC000848132981	681478169	/nfs/dbraw/zinc/47/81/69/681478169.db2.gz	RFHDQMPALCUQLL-LBPRGKRZSA-N	-1	3	355.232	2.223	20	30		FEEDHM
CCc1nnc(C[N-]S(=O)(=O)Cc2c(C)cc(C#N)cc2C)s1	ZINC000915757995	685518233	/nfs/dbraw/zinc/51/82/33/685518233.db2.gz	QCSKFEMZYSXKGX-UHFFFAOYSA-N	-1	3	350.469	2.209	20	30		FEEDHM
Cc1ncc(C=Nn2c(=S)[n-]nc2[C@H]2COc3ccccc3O2)n1C	ZINC000853271201	682400544	/nfs/dbraw/zinc/40/05/44/682400544.db2.gz	CGDUWECXCRFJOD-CQSZACIVSA-N	-1	3	356.411	2.003	20	30		FEEDHM
N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)NCc1nc(C(F)(F)F)n[n-]1	ZINC000787317772	682449668	/nfs/dbraw/zinc/44/96/68/682449668.db2.gz	IOSDSYKGYSFCFS-NSHDSACASA-N	-1	3	350.304	2.182	20	30		FEEDHM
COC(=O)c1sc(S(=O)(=O)[N-][C@@H](C#N)C(C)C)c(C)c1Cl	ZINC000788552356	682538683	/nfs/dbraw/zinc/53/86/83/682538683.db2.gz	ILJQLMGFYOILGF-QMMMGPOBSA-N	-1	3	350.849	2.323	20	30		FEEDHM
C[N-]S(=O)(=O)c1cc(C(=O)OCc2ccc(C#N)c(F)c2)ccc1F	ZINC000791404962	682740988	/nfs/dbraw/zinc/74/09/88/682740988.db2.gz	JVTINRGJMQYUGO-UHFFFAOYSA-N	-1	3	366.345	2.102	20	30		FEEDHM
CC[C@@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2cccc(F)c2C#N)n[nH]1	ZINC000792784929	682840174	/nfs/dbraw/zinc/84/01/74/682840174.db2.gz	SRGMBWHEDROXGY-NXEZZACHSA-N	-1	3	351.407	2.368	20	30		FEEDHM
CCCC[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NCC(C)(C)C	ZINC000919832415	683301878	/nfs/dbraw/zinc/30/18/78/683301878.db2.gz	RZSUSXRCRQVBOH-CQSZACIVSA-N	-1	3	365.499	2.446	20	30		FEEDHM
C=CC(C)(C)CCNC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000862396395	683583535	/nfs/dbraw/zinc/58/35/35/683583535.db2.gz	OHCKYRREMQXWRK-CYBMUJFWSA-N	-1	3	363.483	2.222	20	30		FEEDHM
Cc1ncc(CO)c(/C=N/Cc2ccnc(N3CCSCC3)c2)c1[O-]	ZINC000864346840	683840456	/nfs/dbraw/zinc/84/04/56/683840456.db2.gz	FHLNQFRFOVDNOS-YBFXNURJSA-N	-1	3	358.467	2.155	20	30		FEEDHM
C=CCCn1cc(C[N-]S(=O)(=O)c2cc(C(C)=O)ccc2Cl)nn1	ZINC000867596446	684325284	/nfs/dbraw/zinc/32/52/84/684325284.db2.gz	MVYMOEPWAMNFPH-UHFFFAOYSA-N	-1	3	368.846	2.189	20	30		FEEDHM
O=C(Nc1cc(F)ccc1N1CCCCC1)N[C@H]1CCCN([O-])C1=O	ZINC000878560621	686608089	/nfs/dbraw/zinc/60/80/89/686608089.db2.gz	FSFQQCKHLQCBJI-ZDUSSCGKSA-N	-1	3	350.394	2.318	20	30		FEEDHM
C[C@@]1([N-]C(=O)C(F)(F)F)CCN(CCC(=O)Nc2sccc2C#N)C1	ZINC000879763566	686903535	/nfs/dbraw/zinc/90/35/35/686903535.db2.gz	OZZGESRIGBPPQP-CQSZACIVSA-N	-1	3	374.388	2.091	20	30		FEEDHM
CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NC/C=C\Cl	ZINC000891212773	689033117	/nfs/dbraw/zinc/03/31/17/689033117.db2.gz	XJIBJTLRQYKFGN-HKBVPSITSA-N	-1	3	369.874	2.153	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H](CF)C2)ccc1F	ZINC000893416057	689344823	/nfs/dbraw/zinc/34/48/23/689344823.db2.gz	VHFFOZISUUHZNE-LBPRGKRZSA-N	-1	3	358.410	2.112	20	30		FEEDHM
C=CCNS(=O)(=O)c1ccc(C(=O)N([O-])Cc2ccc(F)cc2)cc1	ZINC000901376191	690641603	/nfs/dbraw/zinc/64/16/03/690641603.db2.gz	QCLGTWHKZWWTMR-UHFFFAOYSA-N	-1	3	364.398	2.322	20	30		FEEDHM
CCCCN([O-])C(=O)CCCN(C)S(=O)(=O)c1ccc(C(C)=O)cc1	ZINC000904207971	691013289	/nfs/dbraw/zinc/01/32/89/691013289.db2.gz	JXWRLCTWCCOEPT-UHFFFAOYSA-N	-1	3	370.471	2.308	20	30		FEEDHM
C#C[C@@H](NC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1)[C@H]1CCCO1	ZINC000907485465	691499010	/nfs/dbraw/zinc/49/90/10/691499010.db2.gz	GDDSOCZTDPRDPZ-GHMZBOCLSA-N	-1	3	351.428	2.401	20	30		FEEDHM
COC(=O)c1ccc(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)[n-]1	ZINC000498794038	888142043	/nfs/dbraw/zinc/14/20/43/888142043.db2.gz	UNUJZXNYFXYQRE-UHFFFAOYSA-N	-1	3	353.313	2.250	20	30		FEEDHM
N#Cc1cccnc1N1CCCN(C(=O)c2c[n-]c3ccccc3c2=O)CC1	ZINC000055742765	540674723	/nfs/dbraw/zinc/67/47/23/540674723.db2.gz	UEWTWWNCEXKCPZ-UHFFFAOYSA-N	-1	3	373.416	2.147	20	30		FEEDHM
CN(CCC#N)C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl	ZINC000057814143	540816543	/nfs/dbraw/zinc/81/65/43/540816543.db2.gz	DVVPXDKMRPCGBP-UHFFFAOYSA-N	-1	3	364.254	2.034	20	30		FEEDHM
N#Cc1ccc(CN2CCN(C(=O)c3cc(=O)c4ccccc4[n-]3)CC2)cc1	ZINC000061206517	541127856	/nfs/dbraw/zinc/12/78/56/541127856.db2.gz	YTLKBWTZMRFEHS-UHFFFAOYSA-N	-1	3	372.428	2.358	20	30		FEEDHM
COc1ccccc1[C@@H]([N-]S(=O)(=O)CCCCC#N)c1noc(C)n1	ZINC000072994213	541906085	/nfs/dbraw/zinc/90/60/85/541906085.db2.gz	VSNSBXYZWYEPQH-OAHLLOKOSA-N	-1	3	364.427	2.089	20	30		FEEDHM
Cc1cc([N-]C(=O)[C@@H](C)N2CCN([C@H](C#N)c3ccccc3)CC2)on1	ZINC000078454294	542462332	/nfs/dbraw/zinc/46/23/32/542462332.db2.gz	YEJJJLQQSAYABE-NVXWUHKLSA-N	-1	3	353.426	2.193	20	30		FEEDHM
CN(C)c1nc(C[N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cs1	ZINC000080800526	542609957	/nfs/dbraw/zinc/60/99/57/542609957.db2.gz	IYWUASSCMONGMI-UHFFFAOYSA-N	-1	3	356.860	2.213	20	30		FEEDHM
CN(C)c1nc(C[N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cs1	ZINC000080800670	542610393	/nfs/dbraw/zinc/61/03/93/542610393.db2.gz	HTLBEKVRJARSAG-UHFFFAOYSA-N	-1	3	356.860	2.213	20	30		FEEDHM
CNC(=O)c1cccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1C	ZINC000106174323	543212867	/nfs/dbraw/zinc/21/28/67/543212867.db2.gz	ANXZWMBHJFIGON-UHFFFAOYSA-N	-1	3	366.421	2.103	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(-c2nc[nH]n2)cc1	ZINC000109973291	543345257	/nfs/dbraw/zinc/34/52/57/543345257.db2.gz	XXRWAENQPVKOLL-UHFFFAOYSA-N	-1	3	362.393	2.220	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCS[C@@H](C)[C@H]2C)ccc1F	ZINC000118294707	543649901	/nfs/dbraw/zinc/64/99/01/543649901.db2.gz	VWGWDGAAZPFVIV-NEPJUHHUSA-N	-1	3	372.487	2.256	20	30		FEEDHM
Cc1ccc(C#N)c(N2CCC([N-]S(=O)(=O)c3cccs3)CC2)n1	ZINC000127675909	544007433	/nfs/dbraw/zinc/00/74/33/544007433.db2.gz	DUEUQXVMZNNPNN-UHFFFAOYSA-N	-1	3	362.480	2.271	20	30		FEEDHM
C=CCN(C)C(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1C(F)(F)F	ZINC000152895857	544708231	/nfs/dbraw/zinc/70/82/31/544708231.db2.gz	IXAOQUKAGIJTSM-JTQLQIEISA-N	-1	3	350.362	2.017	20	30		FEEDHM
C=CCOc1ccccc1C(=O)NCC[N-]S(=O)(=O)c1cccs1	ZINC000154806262	544951485	/nfs/dbraw/zinc/95/14/85/544951485.db2.gz	HCNXIMGIJGEPNX-UHFFFAOYSA-N	-1	3	366.464	2.021	20	30		FEEDHM
O=C(CNC(=O)c1cc(F)c(C(F)(F)F)cc1F)[N-]CC(F)(F)F	ZINC000804271678	674278882	/nfs/dbraw/zinc/27/88/82/674278882.db2.gz	STWXFNSYJRQKFO-UHFFFAOYSA-N	-1	3	364.192	2.392	20	30		FEEDHM
N#Cc1c(N)n(-c2ccccc2)nc1CCCNC(=O)c1cccc([O-])c1	ZINC000181858382	327749917	/nfs/dbraw/zinc/74/99/17/327749917.db2.gz	CJYODCOLYUXISF-UHFFFAOYSA-N	-1	3	361.405	2.394	20	30		FEEDHM
COc1c(F)cc(S(=O)(=O)[N-]Cc2cccc(C#N)c2)cc1[N+](=O)[O-]	ZINC000187268962	328012121	/nfs/dbraw/zinc/01/21/21/328012121.db2.gz	AXCHOSHILOHHPA-UHFFFAOYSA-N	-1	3	365.342	2.093	20	30		FEEDHM
CCO[C@@H]1C[C@@](O)(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)C1(C)C	ZINC000188480389	328089816	/nfs/dbraw/zinc/08/98/16/328089816.db2.gz	JIOMMONTKINOOR-GDBMZVCRSA-N	-1	3	372.874	2.056	20	30		FEEDHM
N#Cc1ccc(C(=O)Nc2ccccc2CN2CCC(O)CC2)cc1[O-]	ZINC000189068639	328126768	/nfs/dbraw/zinc/12/67/68/328126768.db2.gz	NXDPEFNROYUZHH-UHFFFAOYSA-N	-1	3	351.406	2.473	20	30		FEEDHM
N#Cc1ccc(C(=O)NCCCN2CCN(c3ccccc3)CC2)cc1[O-]	ZINC000190435301	328207559	/nfs/dbraw/zinc/20/75/59/328207559.db2.gz	RPJUQISUEKCZSS-UHFFFAOYSA-N	-1	3	364.449	2.206	20	30		FEEDHM
COCCNc1ccccc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C	ZINC000191229116	328255126	/nfs/dbraw/zinc/25/51/26/328255126.db2.gz	JFZLVOYHKXIQJD-UHFFFAOYSA-N	-1	3	368.437	2.493	20	30		FEEDHM
COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C	ZINC000088271201	325289977	/nfs/dbraw/zinc/28/99/77/325289977.db2.gz	AJSGRBKLRUDWJB-WBVHZDCISA-N	-1	3	373.453	2.034	20	30		FEEDHM
COc1cc(C#N)ccc1CN1CCN(C(=O)c2ccc([O-])cc2)CC1	ZINC000121302612	326328026	/nfs/dbraw/zinc/32/80/26/326328026.db2.gz	BCPFEZXGGQLJAF-UHFFFAOYSA-N	-1	3	351.406	2.230	20	30		FEEDHM
C[C@@H](C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)N1CCC(C)CC1	ZINC000124622102	326457336	/nfs/dbraw/zinc/45/73/36/326457336.db2.gz	HQESTLDKOPAYFI-LBPRGKRZSA-N	-1	3	357.426	2.235	20	30		FEEDHM
N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CCc1cn2c(n1)CCCC2	ZINC000156380568	326829095	/nfs/dbraw/zinc/82/90/95/326829095.db2.gz	LDUHHRWDXAWBCQ-UHFFFAOYSA-N	-1	3	364.858	2.265	20	30		FEEDHM
N#Cc1ccc(NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1	ZINC000170706199	327095091	/nfs/dbraw/zinc/09/50/91/327095091.db2.gz	AHJOOMKXGYBWPH-UHFFFAOYSA-N	-1	3	350.378	2.254	20	30		FEEDHM
CCOC(=O)c1nc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)oc1C	ZINC000275020465	330002772	/nfs/dbraw/zinc/00/27/72/330002772.db2.gz	ZWNFZPUYMYSFAJ-UHFFFAOYSA-N	-1	3	372.381	2.320	20	30		FEEDHM
C=C(Cl)C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F	ZINC000805007618	674311998	/nfs/dbraw/zinc/31/19/98/674311998.db2.gz	NVXFBTXKWJZZDU-UHFFFAOYSA-N	-1	3	363.766	2.011	20	30		FEEDHM
CC(C)(C#N)CCCS(=O)(=O)Cc1nc(C(F)(F)F)cc(=O)[n-]1	ZINC000156003001	545590530	/nfs/dbraw/zinc/59/05/30/545590530.db2.gz	IDVSOIPUFVIKJE-UHFFFAOYSA-N	-1	3	351.350	2.446	20	30		FEEDHM
N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@@H]1CCCN(c2ccccc2)C1=O	ZINC000157583961	545757785	/nfs/dbraw/zinc/75/77/85/545757785.db2.gz	VTEWXOJZZLMLJT-MRXNPFEDSA-N	-1	3	373.409	2.171	20	30		FEEDHM
CN(CCC#N)C(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1	ZINC000161039046	546095079	/nfs/dbraw/zinc/09/50/79/546095079.db2.gz	IEMWYFSAVPQNTA-UHFFFAOYSA-N	-1	3	369.493	2.274	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-][C@@H](CO)Cc2c[nH]c3ccccc23)c(F)c1	ZINC000161226611	546111929	/nfs/dbraw/zinc/11/19/29/546111929.db2.gz	SPFGCMYNPKJQDC-CQSZACIVSA-N	-1	3	373.409	2.061	20	30		FEEDHM
CN(C)c1cccc(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)n1	ZINC000167908069	546158321	/nfs/dbraw/zinc/15/83/21/546158321.db2.gz	JGHMQJCUEXKLFL-UHFFFAOYSA-N	-1	3	350.831	2.151	20	30		FEEDHM
C=CC[C@@H](C)NC(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1	ZINC000172079063	546235969	/nfs/dbraw/zinc/23/59/69/546235969.db2.gz	PUCGSVNQALUUAZ-GFCCVEGCSA-N	-1	3	357.501	2.165	20	30		FEEDHM
COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C)CC#N)c(Cl)cc1Cl	ZINC000175249967	546308087	/nfs/dbraw/zinc/30/80/87/546308087.db2.gz	CFUHGQKQFMJHCP-ZETCQYMHSA-N	-1	3	351.211	2.360	20	30		FEEDHM
C=CCN1CCC([N-]S(=O)(=O)c2cc(C(C)=O)ccc2Cl)CC1	ZINC000177850486	546695727	/nfs/dbraw/zinc/69/57/27/546695727.db2.gz	UYIOJSAHPQFWLZ-UHFFFAOYSA-N	-1	3	356.875	2.471	20	30		FEEDHM
Cc1ccc(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)c([O-])c1O	ZINC000179499745	546967069	/nfs/dbraw/zinc/96/70/69/546967069.db2.gz	UCLAFCCFWWBLED-MRXNPFEDSA-N	-1	3	351.406	2.256	20	30		FEEDHM
CCOC(=O)[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)[C@H](C)CC	ZINC000180049373	547044649	/nfs/dbraw/zinc/04/46/49/547044649.db2.gz	SKUUNGPGGREQLK-QMTHXVAHSA-N	-1	3	358.847	2.468	20	30		FEEDHM
C[C@@H](CC#N)N(C)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1	ZINC000180805842	547183510	/nfs/dbraw/zinc/18/35/10/547183510.db2.gz	RDBODBUXZLGQTA-JTQLQIEISA-N	-1	3	354.407	2.032	20	30		FEEDHM
C=CCn1cccc1C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1	ZINC000489048743	561402268	/nfs/dbraw/zinc/40/22/68/561402268.db2.gz	GAPWUCGSUAVAQO-UHFFFAOYSA-N	-1	3	373.887	2.097	20	30		FEEDHM
C=CCCCS(=O)(=O)[N-][C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)OC	ZINC000489514458	561413224	/nfs/dbraw/zinc/41/32/24/561413224.db2.gz	ABVLGZPIRBIECU-INIZCTEOSA-N	-1	3	368.430	2.277	20	30		FEEDHM
COC[C@H]([N-]S(=O)(=O)c1cnc(C)c(C#N)c1)c1ccc(F)c(F)c1	ZINC000489667120	561416626	/nfs/dbraw/zinc/41/66/26/561416626.db2.gz	NTHLQSLVBMNALR-INIZCTEOSA-N	-1	3	367.377	2.206	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N(CCC#N)CC2CC2)ccc1F	ZINC000264085553	549977408	/nfs/dbraw/zinc/97/74/08/549977408.db2.gz	RHEGNXCWARGTNE-UHFFFAOYSA-N	-1	3	365.430	2.056	20	30		FEEDHM
C#CCCNC(=O)c1cc(C(C)C)nc2c1c(=O)[n-]c(=O)n2CC(C)C	ZINC000265030625	550005210	/nfs/dbraw/zinc/00/52/10/550005210.db2.gz	ZXXYCSXONZAFKS-UHFFFAOYSA-N	-1	3	356.426	2.030	20	30		FEEDHM
Cc1ncc(CO)c(/C=N/[C@H]2CCN(c3cccc(Cl)c3)C2=O)c1[O-]	ZINC000267314154	550029260	/nfs/dbraw/zinc/02/92/60/550029260.db2.gz	CPUKEYQELCADFB-BCUFPXHISA-N	-1	3	359.813	2.466	20	30		FEEDHM
C[C@@H]1CN(C2CC2)C[C@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000268809152	550118689	/nfs/dbraw/zinc/11/86/89/550118689.db2.gz	STEZIJGSFUBSOT-QMTHXVAHSA-N	-1	3	373.400	2.338	20	30		FEEDHM
Cc1cc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)nn1CCC#N	ZINC000271137879	550344335	/nfs/dbraw/zinc/34/43/35/550344335.db2.gz	PEXSTIJAKIOFGU-UHFFFAOYSA-N	-1	3	352.398	2.266	20	30		FEEDHM
CN(C)C(=O)COc1ccc(C(F)(F)C(=O)[N-][C@H](C#N)C(C)(C)C)cc1	ZINC000274650387	550547602	/nfs/dbraw/zinc/54/76/02/550547602.db2.gz	LGOOIRPJZBDZRR-CQSZACIVSA-N	-1	3	367.396	2.300	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1	ZINC000277176033	550640278	/nfs/dbraw/zinc/64/02/78/550640278.db2.gz	NALSSHWZGCVYPJ-CZUORRHYSA-N	-1	3	365.361	2.040	20	30		FEEDHM
CCOC(=O)c1nnc(C2CCN(c3ncc(C#N)cc3Cl)CC2)[n-]1	ZINC000278025590	550740407	/nfs/dbraw/zinc/74/04/07/550740407.db2.gz	PIRTYOSOTSFRSP-UHFFFAOYSA-N	-1	3	360.805	2.285	20	30		FEEDHM
CCOC(=O)c1nc(C2CCN(c3ncc(C#N)cc3Cl)CC2)n[n-]1	ZINC000278025590	550740408	/nfs/dbraw/zinc/74/04/08/550740408.db2.gz	PIRTYOSOTSFRSP-UHFFFAOYSA-N	-1	3	360.805	2.285	20	30		FEEDHM
CCOC(=O)c1n[n-]c(C2CCN(c3ncc(C#N)cc3Cl)CC2)n1	ZINC000278025590	550740409	/nfs/dbraw/zinc/74/04/09/550740409.db2.gz	PIRTYOSOTSFRSP-UHFFFAOYSA-N	-1	3	360.805	2.285	20	30		FEEDHM
C=CC[C@H](CO)[N-]S(=O)(=O)c1c(Cl)cccc1Br	ZINC000282235951	551199203	/nfs/dbraw/zinc/19/92/03/551199203.db2.gz	CQRZHPIJNWDKCA-MRVPVSSYSA-N	-1	3	354.653	2.318	20	30		FEEDHM
C[C@H](C#N)CN(C)S(=O)(=O)[N-][C@H](c1nccs1)c1ccccc1	ZINC000282761281	551267736	/nfs/dbraw/zinc/26/77/36/551267736.db2.gz	VHWFKFAREHCKEY-OCCSQVGLSA-N	-1	3	350.469	2.158	20	30		FEEDHM
CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1)[C@@H](O)C(F)(F)F	ZINC000497933958	561511649	/nfs/dbraw/zinc/51/16/49/561511649.db2.gz	HWOCXXCPDHXUJH-GHMZBOCLSA-N	-1	3	356.753	2.192	20	30		FEEDHM
CC(C)[C@H]([N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)c1nncn1C	ZINC000285243458	551725402	/nfs/dbraw/zinc/72/54/02/551725402.db2.gz	HVWFRNXAFQGNJD-ZDUSSCGKSA-N	-1	3	353.835	2.016	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H]2CCCSC2)ccc1F	ZINC000286711113	551917419	/nfs/dbraw/zinc/91/74/19/551917419.db2.gz	GVFSLAJNACXDHT-LBPRGKRZSA-N	-1	3	372.487	2.163	20	30		FEEDHM
Cc1ncc(CO)c(C=Nc2ccc(F)c(N3CCCNC3=O)c2)c1[O-]	ZINC000287190993	551974680	/nfs/dbraw/zinc/97/46/80/551974680.db2.gz	KYEVJESDXPYIRY-LSFURLLWSA-N	-1	3	358.373	2.397	20	30		FEEDHM
C=C(C)[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cccnc1C(F)(F)F	ZINC000287484893	552010495	/nfs/dbraw/zinc/01/04/95/552010495.db2.gz	SZINIDIBHPLKOP-JQWIXIFHSA-N	-1	3	350.362	2.360	20	30		FEEDHM
Cc1ccc(N2CC[C@H]([N-]S(=O)(=O)Cc3ccc(C#N)cc3)C2=O)cc1	ZINC000288405146	552148178	/nfs/dbraw/zinc/14/81/78/552148178.db2.gz	QRKZCDNQHCFQBW-SFHVURJKSA-N	-1	3	369.446	2.092	20	30		FEEDHM
CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)CC(C)(C)C(=O)OC	ZINC000288614546	552185234	/nfs/dbraw/zinc/18/52/34/552185234.db2.gz	VDRXOKDFTYHBFF-UHFFFAOYSA-N	-1	3	353.444	2.321	20	30		FEEDHM
O=c1nc([C@@H]2CCCN(CC#Cc3ccc(C(F)(F)F)cc3)C2)[nH][n-]1	ZINC000289366428	552308416	/nfs/dbraw/zinc/30/84/16/552308416.db2.gz	HXGITPHGSSYZLJ-CYBMUJFWSA-N	-1	3	350.344	2.348	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)c1cncc(C#N)c1)c1nc(C(F)(F)F)cs1	ZINC000290193295	552440729	/nfs/dbraw/zinc/44/07/29/552440729.db2.gz	SHAZUFGQACXNJF-SSDOTTSWSA-N	-1	3	362.358	2.468	20	30		FEEDHM
COc1cc(C(=O)[N-]c2n[nH]c(C3CC3)c2C#N)c([N+](=O)[O-])cc1OC	ZINC000290608660	552506022	/nfs/dbraw/zinc/50/60/22/552506022.db2.gz	RQFKOBZLCFFGCO-UHFFFAOYSA-N	-1	3	357.326	2.336	20	30		FEEDHM
CC1(C)C[C@@]1(C#N)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br	ZINC000290904261	552559475	/nfs/dbraw/zinc/55/94/75/552559475.db2.gz	FRDHNDQMDZYNJL-LBPRGKRZSA-N	-1	3	374.216	2.328	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCOC[C@H](C2CCC2)C1	ZINC000292117361	552695546	/nfs/dbraw/zinc/69/55/46/552695546.db2.gz	GHZCUCAGYMDJRU-MRXNPFEDSA-N	-1	3	357.454	2.483	20	30		FEEDHM
C#CCO[C@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O	ZINC000294431004	552905835	/nfs/dbraw/zinc/90/58/35/552905835.db2.gz	AIJQOKGCMGXIFV-SECBINFHSA-N	-1	3	364.345	2.054	20	30		FEEDHM
COCCOc1ccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cn1	ZINC000298322535	553412190	/nfs/dbraw/zinc/41/21/90/553412190.db2.gz	LTNAAJONJSSMRZ-UHFFFAOYSA-N	-1	3	370.409	2.267	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]C[C@H](CO)Cc2ccccc2)c(Cl)c1	ZINC000503451119	561641628	/nfs/dbraw/zinc/64/16/28/561641628.db2.gz	ABUSLGATWYSCDY-OAHLLOKOSA-N	-1	3	364.854	2.341	20	30		FEEDHM
Cc1ccn2cc(CNC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)nc2c1	ZINC000298911774	553488310	/nfs/dbraw/zinc/48/83/10/553488310.db2.gz	DUMXCUFKQMOCDW-UHFFFAOYSA-N	-1	3	363.421	2.481	20	30		FEEDHM
C=CCC[C@@H](CO)[N-]S(=O)(=O)c1ccc(F)cc1Br	ZINC000316137788	553760768	/nfs/dbraw/zinc/76/07/68/553760768.db2.gz	SMEJEUAAMQLSID-JTQLQIEISA-N	-1	3	352.225	2.194	20	30		FEEDHM
C[C@@H](C(=O)Nc1nc2ccccc2s1)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1	ZINC000328929246	553846586	/nfs/dbraw/zinc/84/65/86/553846586.db2.gz	YKAZDRXWTDINQT-ONGXEEELSA-N	-1	3	359.411	2.349	20	30		FEEDHM
C[C@@H]1CCN(C(=O)NCC[N-]S(=O)(=O)c2cccs2)CC12CCC2	ZINC000329136919	553887237	/nfs/dbraw/zinc/88/72/37/553887237.db2.gz	HGHJTIHGLQLABN-CYBMUJFWSA-N	-1	3	371.528	2.453	20	30		FEEDHM
C[C@]1(C[C@@H]2CCCN2C(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)NC(=O)[N-]C1=O	ZINC000329255114	553911677	/nfs/dbraw/zinc/91/16/77/553911677.db2.gz	BHPVBQPXHLKMLO-BXTPVMGZSA-N	-1	3	364.446	2.355	20	30		FEEDHM
CC1(C)SC[C@H]1[N-]S(=O)(=O)c1cccc(Br)c1C#N	ZINC000329308115	553922405	/nfs/dbraw/zinc/92/24/05/553922405.db2.gz	YRVSHXBNRWZUPH-LLVKDONJSA-N	-1	3	361.286	2.493	20	30		FEEDHM
C[C@H](NC(=O)N1CCC[C@@H]1C[C@]1(C)NC(=O)[N-]C1=O)[C@@H]1CCCOC1	ZINC000329525517	553962371	/nfs/dbraw/zinc/96/23/71/553962371.db2.gz	HDJSSMNJABCCBS-ZBYUQBLASA-N	-1	3	352.435	2.213	20	30		FEEDHM
C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)c3csc(=O)[n-]3)CC2)C1	ZINC000329992962	554045698	/nfs/dbraw/zinc/04/56/98/554045698.db2.gz	YAUQMFUYORCFAU-OLZOCXBDSA-N	-1	3	366.487	2.142	20	30		FEEDHM
CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)[N-][C@@]1(C#N)CCC[C@@H](C)C1	ZINC000330321086	554105157	/nfs/dbraw/zinc/10/51/57/554105157.db2.gz	SAEZZKQRWZFJMF-OIISXLGYSA-N	-1	3	355.504	2.169	20	30		FEEDHM
C[N-]S(=O)(=O)c1cc(C(=O)NC[C@@]2(O)CCCC(C)(C)C2)c(C)o1	ZINC000331241057	554235291	/nfs/dbraw/zinc/23/52/91/554235291.db2.gz	JXOJOKKFSIGBCM-MRXNPFEDSA-N	-1	3	358.460	2.132	20	30		FEEDHM
CN(C)C(=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2C#N)C1	ZINC000331295080	554243002	/nfs/dbraw/zinc/24/30/02/554243002.db2.gz	YHXVEGKVPIZPSO-NEPJUHHUSA-N	-1	3	369.874	2.137	20	30		FEEDHM
O=C(NC[C@@H]1CCCCN1CCO)c1cc(Br)ccc1[O-]	ZINC000331316060	554246605	/nfs/dbraw/zinc/24/66/05/554246605.db2.gz	JDDXTUFOYXZZRD-LBPRGKRZSA-N	-1	3	357.248	2.306	20	30		FEEDHM
C=CCOc1ccc(C[N-]S(=O)(=O)c2ccc(C(=O)OCC)o2)cc1	ZINC000509573288	561805836	/nfs/dbraw/zinc/80/58/36/561805836.db2.gz	FNDWJMCRFKDETA-UHFFFAOYSA-N	-1	3	365.407	2.500	20	30		FEEDHM
C=CC[C@@H](CC)[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)NC)c1OC	ZINC000509719903	561811396	/nfs/dbraw/zinc/81/13/96/561811396.db2.gz	PILCIIQCOHPRNU-LLVKDONJSA-N	-1	3	360.863	2.341	20	30		FEEDHM
Cc1c(-c2ccncc2)[n-][nH]c1=NC(=O)[C@H](C#N)Cc1ccc(C#N)cc1	ZINC000365401035	555565030	/nfs/dbraw/zinc/56/50/30/555565030.db2.gz	DCURGNFSPVFFGY-KRWDZBQOSA-N	-1	3	356.389	2.973	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-]C1CCN(Cc2ccc(F)cc2)CC1	ZINC000365403414	555566239	/nfs/dbraw/zinc/56/62/39/555566239.db2.gz	GEGSWZMYAJZEFB-UHFFFAOYSA-N	-1	3	374.441	2.035	20	30		FEEDHM
CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)CC2(C#N)CCC2)[C@@H]1Oc1ccccc1	ZINC000514693082	561974253	/nfs/dbraw/zinc/97/42/53/561974253.db2.gz	DHHNTIULRIZYAG-ZACQAIPSSA-N	-1	3	364.467	2.225	20	30		FEEDHM
COc1ccc(C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c(OC)n1	ZINC000514819900	561981280	/nfs/dbraw/zinc/98/12/80/561981280.db2.gz	JMZCYHMKSUSFFT-UHFFFAOYSA-N	-1	3	367.814	2.102	20	30		FEEDHM
COC(=O)[C@]12CCC[C@@H]1CN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C2	ZINC000369989033	556750410	/nfs/dbraw/zinc/75/04/10/556750410.db2.gz	XEJZLKILVJIMRH-VLIAUNLRSA-N	-1	3	371.437	2.010	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)c1ccccc1S(C)(=O)=O)c1ccc(C#N)cc1	ZINC000517999955	562102283	/nfs/dbraw/zinc/10/22/83/562102283.db2.gz	BTKWFQHVDHRIPZ-GFCCVEGCSA-N	-1	3	364.448	2.001	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@H](C)O[C@]2(CCCOC2)C1	ZINC000373005887	557607860	/nfs/dbraw/zinc/60/78/60/557607860.db2.gz	ZSXIPTQIGMFQNC-RNODOKPDSA-N	-1	3	373.453	2.005	20	30		FEEDHM
COCc1nc(C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)cs1	ZINC000519793846	562144058	/nfs/dbraw/zinc/14/40/58/562144058.db2.gz	UMVHOVYHKSHNFF-UHFFFAOYSA-N	-1	3	357.844	2.293	20	30		FEEDHM
Cc1nc(C)c(CCC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)c(=O)[n-]1	ZINC000374365052	557872469	/nfs/dbraw/zinc/87/24/69/557872469.db2.gz	IZWKXCKVTBRQLL-SFHVURJKSA-N	-1	3	366.421	2.203	20	30		FEEDHM
COc1ccc(CC[N-]S(=O)(=O)c2ccc(C#N)cc2F)cc1F	ZINC000523567679	562215388	/nfs/dbraw/zinc/21/53/88/562215388.db2.gz	FFLFKOGLJDVZIE-UHFFFAOYSA-N	-1	3	352.362	2.366	20	30		FEEDHM
CCOC(=O)[C@@H](CCC(C)(C)C)[N-]S(=O)(=O)N(CC)C[C@H](C)C#N	ZINC000409494335	558697423	/nfs/dbraw/zinc/69/74/23/558697423.db2.gz	DIIAMPZTBZGEPH-ZIAGYGMSSA-N	-1	3	361.508	2.060	20	30		FEEDHM
CC[C@H](C)[C@H]([N-]S(=O)(=O)N(CC)C[C@H](C)C#N)C(=O)OC(C)(C)C	ZINC000409507322	558698831	/nfs/dbraw/zinc/69/88/31/558698831.db2.gz	IOSKAJPXCZRUHQ-RDBSUJKOSA-N	-1	3	361.508	2.059	20	30		FEEDHM
N#CCCn1ncc(C(=O)N2CCc3nc[n-]c(=O)c3C2)c1-c1ccccc1	ZINC000527007494	562273038	/nfs/dbraw/zinc/27/30/38/562273038.db2.gz	VIDQMGFBWDQWTQ-UHFFFAOYSA-N	-1	3	374.404	2.158	20	30		FEEDHM
N#C[C@@H]([N-]S(=O)(=O)c1cnc2n1CCC2)c1cccc(C(F)(F)F)c1	ZINC000527107575	562276798	/nfs/dbraw/zinc/27/67/98/562276798.db2.gz	AZODTCJHYCUAPA-GFCCVEGCSA-N	-1	3	370.356	2.391	20	30		FEEDHM
C[C@]1(C[N-]S(=O)(=O)c2cc(Br)ccc2C#N)CCOC1	ZINC000416390921	559309555	/nfs/dbraw/zinc/30/95/55/559309555.db2.gz	PIMVSPACLSUWNO-CYBMUJFWSA-N	-1	3	359.245	2.026	20	30		FEEDHM
Cc1nc2cc(C[N-]S(=O)(=O)c3cccnc3C#N)ccc2n1C1CC1	ZINC000416479310	559316365	/nfs/dbraw/zinc/31/63/65/559316365.db2.gz	ILERXKXOGCCQKH-UHFFFAOYSA-N	-1	3	367.434	2.425	20	30		FEEDHM
CCn1ccc(C[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)n1	ZINC000416587520	559323563	/nfs/dbraw/zinc/32/35/63/559323563.db2.gz	PWEHBFDDTJDDJQ-UHFFFAOYSA-N	-1	3	358.345	2.272	20	30		FEEDHM
COc1ccc(Br)c(S(=O)(=O)[N-]CC2(C#N)CCC2)c1	ZINC000416669038	559328746	/nfs/dbraw/zinc/32/87/46/559328746.db2.gz	IQZDBHJTPIWOQZ-UHFFFAOYSA-N	-1	3	359.245	2.430	20	30		FEEDHM
Cc1cc(CN[C@@H](Cn2ccc(C(F)(F)F)n2)C(=O)[O-])ccc1C#N	ZINC000417577819	559367386	/nfs/dbraw/zinc/36/73/86/559367386.db2.gz	MMZDHVVJYSPWTI-ZDUSSCGKSA-N	-1	3	352.316	2.325	20	30		FEEDHM
N#Cc1cccc(CS(=O)(=O)[N-]CC(=O)C2CCC(F)(F)CC2)c1	ZINC000425195841	559690452	/nfs/dbraw/zinc/69/04/52/559690452.db2.gz	RYWPWOVONVYOKJ-UHFFFAOYSA-N	-1	3	356.394	2.372	20	30		FEEDHM
CS(=O)(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c1	ZINC000427122246	559748367	/nfs/dbraw/zinc/74/83/67/559748367.db2.gz	BCDFDTYWPZOLOH-UHFFFAOYSA-N	-1	3	372.374	2.041	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-][C@@H](c1ccc(F)cc1)[C@@H]1CCCO1	ZINC000428225724	559771743	/nfs/dbraw/zinc/77/17/43/559771743.db2.gz	FWGRQNWXYZKVGU-RDJZCZTQSA-N	-1	3	361.398	2.291	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-]Cc1cccnc1OC1CCCC1	ZINC000428241627	559772011	/nfs/dbraw/zinc/77/20/11/559772011.db2.gz	UESONFCHXSUSJH-UHFFFAOYSA-N	-1	3	358.423	2.148	20	30		FEEDHM
CCOc1cc2c(cc1C[N-]S(=O)(=O)c1cccnc1C#N)O[C@@H](C)C2	ZINC000428238848	559772068	/nfs/dbraw/zinc/77/20/68/559772068.db2.gz	FIDJNVZDEOTKCB-LBPRGKRZSA-N	-1	3	373.434	2.154	20	30		FEEDHM
N#Cc1cc(NC(=O)c2[nH]c(=O)[n-]c(=O)c2N)ccc1Oc1ccccc1	ZINC000428364286	559773839	/nfs/dbraw/zinc/77/38/39/559773839.db2.gz	SDPFHFRIUGIAMZ-UHFFFAOYSA-N	-1	3	363.333	2.386	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-]CCc1ccccc1OC(F)(F)F	ZINC000428408961	559774831	/nfs/dbraw/zinc/77/48/31/559774831.db2.gz	LJRFTKYDGXUPBB-UHFFFAOYSA-N	-1	3	371.340	2.373	20	30		FEEDHM
Cc1c(C#N)cccc1NC(=O)CC[N-]S(=O)(=O)c1ccccc1F	ZINC000431837170	559846911	/nfs/dbraw/zinc/84/69/11/559846911.db2.gz	UYEUAKSLRMWROU-UHFFFAOYSA-N	-1	3	361.398	2.313	20	30		FEEDHM
CN(C)[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)s1)c1cccc(F)c1	ZINC000435437012	559922985	/nfs/dbraw/zinc/92/29/85/559922985.db2.gz	IDMJUYWEOVSOSE-AWEZNQCLSA-N	-1	3	353.444	2.340	20	30		FEEDHM
CN(CC[N-]S(=O)(=O)c1ccc(C#N)s1)Cc1ccc(F)cc1	ZINC000435448391	559923420	/nfs/dbraw/zinc/92/34/20/559923420.db2.gz	VLPWUFOLWIAIGK-UHFFFAOYSA-N	-1	3	353.444	2.169	20	30		FEEDHM
C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cnccc1C(F)(F)F	ZINC000435594246	559925723	/nfs/dbraw/zinc/92/57/23/559925723.db2.gz	AHKUDFNYNWCZQJ-ZWNOBZJWSA-N	-1	3	350.362	2.360	20	30		FEEDHM
C=CCN(CCOC)C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-]	ZINC000436590673	559945982	/nfs/dbraw/zinc/94/59/82/559945982.db2.gz	UNINVXQEXZABTQ-UHFFFAOYSA-N	-1	3	359.382	2.216	20	30		FEEDHM
Cc1oc(C#N)cc1C(=O)[N-]c1cc(S(=O)(=O)N(C)C)ccc1F	ZINC000439092496	559988344	/nfs/dbraw/zinc/98/83/44/559988344.db2.gz	DQTMXRWUICPXQK-UHFFFAOYSA-N	-1	3	351.359	2.101	20	30		FEEDHM
N#Cc1cc(F)ccc1S(=O)(=O)[N-]Cc1cccc(C(=O)NC2CC2)c1	ZINC000443015906	560065901	/nfs/dbraw/zinc/06/59/01/560065901.db2.gz	HCJLZZKAOHWCOF-UHFFFAOYSA-N	-1	3	373.409	2.068	20	30		FEEDHM
CCOc1ncccc1C[N-]S(=O)(=O)c1cccc(Cl)c1C#N	ZINC000443098351	560070560	/nfs/dbraw/zinc/07/05/60/560070560.db2.gz	OMXFFRPJKYXHIB-UHFFFAOYSA-N	-1	3	351.815	2.484	20	30		FEEDHM
CCOc1ncccc1C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N	ZINC000443100670	560070799	/nfs/dbraw/zinc/07/07/99/560070799.db2.gz	XRIAOPIBSFJMQK-UHFFFAOYSA-N	-1	3	351.815	2.484	20	30		FEEDHM
COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C#N)C2CCCCC2)cc1F	ZINC000446787690	560151661	/nfs/dbraw/zinc/15/16/61/560151661.db2.gz	URHWNOXBXFWQAA-HNNXBMFYSA-N	-1	3	354.403	2.363	20	30		FEEDHM
N#Cc1cccc(-c2cc(C(=O)NCc3ccc(-c4nnn[n-]4)cc3)on2)c1	ZINC000447459615	560162763	/nfs/dbraw/zinc/16/27/63/560162763.db2.gz	KIUDKMOTYDFFTM-UHFFFAOYSA-N	-1	3	371.360	2.323	20	30		FEEDHM
N#Cc1cccc(-c2cc(C(=O)NCc3ccc(-c4nn[n-]n4)cc3)on2)c1	ZINC000447459615	560162764	/nfs/dbraw/zinc/16/27/64/560162764.db2.gz	KIUDKMOTYDFFTM-UHFFFAOYSA-N	-1	3	371.360	2.323	20	30		FEEDHM
CC(C)(CC#N)CS(=O)(=O)[N-][C@@H]1CCN(c2cccc(Cl)c2)C1=O	ZINC000451295221	560298702	/nfs/dbraw/zinc/29/87/02/560298702.db2.gz	YVRGTZUBHQVCDE-CQSZACIVSA-N	-1	3	369.874	2.305	20	30		FEEDHM
CC(C)OC(=O)[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)C(C)C	ZINC000451827679	560331139	/nfs/dbraw/zinc/33/11/39/560331139.db2.gz	AHZFYYGTWUMZHR-AWEZNQCLSA-N	-1	3	358.847	2.466	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]([C@H](CO)C1CC1)C1CC1	ZINC000452923080	560377966	/nfs/dbraw/zinc/37/79/66/560377966.db2.gz	MOOLICXKXNVSID-IEBWSBKVSA-N	-1	3	357.454	2.122	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]([C@@H](CO)C1CC1)C1CC1	ZINC000452923082	560378024	/nfs/dbraw/zinc/37/80/24/560378024.db2.gz	MOOLICXKXNVSID-PKOBYXMFSA-N	-1	3	357.454	2.122	20	30		FEEDHM
N#Cc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])cc1F	ZINC000456829662	560533848	/nfs/dbraw/zinc/53/38/48/560533848.db2.gz	FFEQTBSRCVWUTM-KRWDZBQOSA-N	-1	3	367.380	2.324	20	30		FEEDHM
C=C[C@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1C(F)(F)F	ZINC000465123907	560858554	/nfs/dbraw/zinc/85/85/54/560858554.db2.gz	YSQHSQGLGBCKEF-UWVGGRQHSA-N	-1	3	350.362	2.063	20	30		FEEDHM
C=CCn1c(=O)[n-]nc1SCC(=O)NC(=O)Nc1ccc(C)c(C)c1	ZINC000470832564	560991057	/nfs/dbraw/zinc/99/10/57/560991057.db2.gz	RSVUVLQSWCDGNW-UHFFFAOYSA-N	-1	3	361.427	2.227	20	30		FEEDHM
CCCN(CC#N)C(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1	ZINC000471794933	561011960	/nfs/dbraw/zinc/01/19/60/561011960.db2.gz	WITZLVAMUSGGDH-UHFFFAOYSA-N	-1	3	363.361	2.453	20	30		FEEDHM
N#Cc1ccc(N2CCC[C@H](NC(=O)NCc3ncccc3[O-])C2)c(F)c1	ZINC000471861298	561013224	/nfs/dbraw/zinc/01/32/24/561013224.db2.gz	NQJQOLFEQBKSFT-AWEZNQCLSA-N	-1	3	369.400	2.266	20	30		FEEDHM
C=CCCCCNC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1	ZINC000472855627	561036482	/nfs/dbraw/zinc/03/64/82/561036482.db2.gz	ROIPUXXAXSLWSI-UHFFFAOYSA-N	-1	3	365.908	2.335	20	30		FEEDHM
Cc1cc(C(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)[n-]c(=O)n1	ZINC000473562579	561052736	/nfs/dbraw/zinc/05/27/36/561052736.db2.gz	RCCUSTODEPHLED-INIZCTEOSA-N	-1	3	371.828	2.167	20	30		FEEDHM
Cc1nc(C)c(CC(=O)NC2(c3ccc(C#N)cc3)CCOCC2)c(=O)[n-]1	ZINC000530059696	562396358	/nfs/dbraw/zinc/39/63/58/562396358.db2.gz	BHOXPBKPOBCTAM-UHFFFAOYSA-N	-1	3	366.421	2.035	20	30		FEEDHM
COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]C(C)(C)C#N	ZINC000541780213	562619745	/nfs/dbraw/zinc/61/97/45/562619745.db2.gz	XTRWWXLRZUCCGD-UHFFFAOYSA-N	-1	3	350.318	2.072	20	30		FEEDHM
COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@H](C#N)C2CCCCC2)c1	ZINC000542000725	562625505	/nfs/dbraw/zinc/62/55/05/562625505.db2.gz	MJVHRPPSXMVJGM-OAHLLOKOSA-N	-1	3	354.403	2.363	20	30		FEEDHM
C[C@]1(c2ccc(-c3noc(-c4cccc(C#N)c4)n3)cc2)NC(=O)[N-]C1=O	ZINC000545533806	562628519	/nfs/dbraw/zinc/62/85/19/562628519.db2.gz	JYXNDROXWZCYQB-LJQANCHMSA-N	-1	3	359.345	2.330	20	30		FEEDHM
C=C[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F	ZINC000556331899	674397567	/nfs/dbraw/zinc/39/75/67/674397567.db2.gz	LAOUUXMOWDHTHN-BDAKNGLRSA-N	-1	3	355.309	2.346	20	30		FEEDHM
N#CCCN(C(=O)CSCCc1nnn[n-]1)c1cccc(Cl)c1	ZINC000603337000	568089405	/nfs/dbraw/zinc/08/94/05/568089405.db2.gz	IKCRPWDGGNGSTM-UHFFFAOYSA-N	-1	3	350.835	2.076	20	30		FEEDHM
N#CCCN(C(=O)CSCCc1nn[n-]n1)c1cccc(Cl)c1	ZINC000603337000	568089406	/nfs/dbraw/zinc/08/94/06/568089406.db2.gz	IKCRPWDGGNGSTM-UHFFFAOYSA-N	-1	3	350.835	2.076	20	30		FEEDHM
COC(=O)[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N)CC1CC1	ZINC000569854132	568430927	/nfs/dbraw/zinc/43/09/27/568430927.db2.gz	NPXFFUGSPZHWCC-GFCCVEGCSA-N	-1	3	356.831	2.079	20	30		FEEDHM
N#Cc1ccc(NC(=O)Cc2ccc(-n3cccn3)cc2)cc1-c1nnn[n-]1	ZINC000737715912	598914254	/nfs/dbraw/zinc/91/42/54/598914254.db2.gz	ICPPMRAXMGYKEC-UHFFFAOYSA-N	-1	3	370.376	2.105	20	30		FEEDHM
N#Cc1ccc(NC(=O)Cc2ccc(-n3cccn3)cc2)cc1-c1nn[n-]n1	ZINC000737715912	598914256	/nfs/dbraw/zinc/91/42/56/598914256.db2.gz	ICPPMRAXMGYKEC-UHFFFAOYSA-N	-1	3	370.376	2.105	20	30		FEEDHM
Cc1c(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)oc2c1C(=O)CCC2	ZINC000737214600	598918255	/nfs/dbraw/zinc/91/82/55/598918255.db2.gz	OAJLRSZDUKQRDR-UHFFFAOYSA-N	-1	3	362.349	2.411	20	30		FEEDHM
Cc1c(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)oc2c1C(=O)CCC2	ZINC000737214600	598918257	/nfs/dbraw/zinc/91/82/57/598918257.db2.gz	OAJLRSZDUKQRDR-UHFFFAOYSA-N	-1	3	362.349	2.411	20	30		FEEDHM
CC[C@H](C#N)NC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1	ZINC000736308995	598932890	/nfs/dbraw/zinc/93/28/90/598932890.db2.gz	KJQCVXMOKDCWTA-OAHLLOKOSA-N	-1	3	362.393	2.478	20	30		FEEDHM
CC[C@H](C#N)NC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1	ZINC000736308995	598932892	/nfs/dbraw/zinc/93/28/92/598932892.db2.gz	KJQCVXMOKDCWTA-OAHLLOKOSA-N	-1	3	362.393	2.478	20	30		FEEDHM
CC[C@@H](C#N)NC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1	ZINC000736310493	599026609	/nfs/dbraw/zinc/02/66/09/599026609.db2.gz	ZOHHVTXIHVJNRH-INIZCTEOSA-N	-1	3	362.393	2.478	20	30		FEEDHM
N#Cc1ccc(OCCNc2c(-c3nnn[n-]3)cnc3ccccc32)cc1	ZINC000822833654	599049395	/nfs/dbraw/zinc/04/93/95/599049395.db2.gz	UHQGAAUZHCCETI-UHFFFAOYSA-N	-1	3	357.377	2.199	20	30		FEEDHM
N#Cc1ccc(OCCNc2c(-c3nn[n-]n3)cnc3ccccc32)cc1	ZINC000822833654	599049397	/nfs/dbraw/zinc/04/93/97/599049397.db2.gz	UHQGAAUZHCCETI-UHFFFAOYSA-N	-1	3	357.377	2.199	20	30		FEEDHM
C#CCOc1ccc(F)cc1NC(=O)COc1cccc(-c2nnn[n-]2)c1	ZINC000735381327	599094538	/nfs/dbraw/zinc/09/45/38/599094538.db2.gz	SWIWHBQGIMBWOD-UHFFFAOYSA-N	-1	3	367.340	2.035	20	30		FEEDHM
C#CCOc1ccc(F)cc1NC(=O)COc1cccc(-c2nn[n-]n2)c1	ZINC000735381327	599094541	/nfs/dbraw/zinc/09/45/41/599094541.db2.gz	SWIWHBQGIMBWOD-UHFFFAOYSA-N	-1	3	367.340	2.035	20	30		FEEDHM
COc1ccc(C=NNc2nc3cc(F)c(F)cc3[nH]2)cc1-c1nnn[n-]1	ZINC000737081783	599128615	/nfs/dbraw/zinc/12/86/15/599128615.db2.gz	BTASKEXWQMAFOI-UHFFFAOYSA-N	-1	3	370.323	2.476	20	30		FEEDHM
COc1ccc(C=NNc2nc3cc(F)c(F)cc3[nH]2)cc1-c1nn[n-]n1	ZINC000737081783	599128617	/nfs/dbraw/zinc/12/86/17/599128617.db2.gz	BTASKEXWQMAFOI-UHFFFAOYSA-N	-1	3	370.323	2.476	20	30		FEEDHM
CN(C)c1cc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc(Cl)n1	ZINC000736770557	599199443	/nfs/dbraw/zinc/19/94/43/599199443.db2.gz	OBHSUQSWEATIMI-UHFFFAOYSA-N	-1	3	368.788	2.105	20	30		FEEDHM
CN(C)c1cc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc(Cl)n1	ZINC000736770557	599199445	/nfs/dbraw/zinc/19/94/45/599199445.db2.gz	OBHSUQSWEATIMI-UHFFFAOYSA-N	-1	3	368.788	2.105	20	30		FEEDHM
C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1Cl)C(=O)N(C)CCC#N	ZINC000824757584	607844405	/nfs/dbraw/zinc/84/44/05/607844405.db2.gz	XZPJSYLRKQTIST-SECBINFHSA-N	-1	3	350.835	2.373	20	30		FEEDHM
C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1Cl)C(=O)N(C)CCC#N	ZINC000824757584	607844406	/nfs/dbraw/zinc/84/44/06/607844406.db2.gz	XZPJSYLRKQTIST-SECBINFHSA-N	-1	3	350.835	2.373	20	30		FEEDHM
C#Cc1cccc(NC(=O)CN(C)c2cccc(F)c2-c2nnn[n-]2)c1	ZINC000819709638	607328244	/nfs/dbraw/zinc/32/82/44/607328244.db2.gz	NIIWEBJNCQMXQB-UHFFFAOYSA-N	-1	3	350.357	2.062	20	30		FEEDHM
C#Cc1cccc(NC(=O)CN(C)c2cccc(F)c2-c2nn[n-]n2)c1	ZINC000819709638	607328245	/nfs/dbraw/zinc/32/82/45/607328245.db2.gz	NIIWEBJNCQMXQB-UHFFFAOYSA-N	-1	3	350.357	2.062	20	30		FEEDHM
N#CCOc1ccc(CNC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1	ZINC000737695715	598496542	/nfs/dbraw/zinc/49/65/42/598496542.db2.gz	MANRBOUSZULRQT-JXMROGBWSA-N	-1	3	360.377	2.099	20	30		FEEDHM
N#CCOc1ccc(CNC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1	ZINC000737695715	598496543	/nfs/dbraw/zinc/49/65/43/598496543.db2.gz	MANRBOUSZULRQT-JXMROGBWSA-N	-1	3	360.377	2.099	20	30		FEEDHM
N#CC1(NC(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)CCC1	ZINC000737678739	598550103	/nfs/dbraw/zinc/55/01/03/598550103.db2.gz	MCTUQXYFOFFRNN-UHFFFAOYSA-N	-1	3	364.365	2.215	20	30		FEEDHM
CC(=N[N-]S(=O)(=O)Cc1ccccc1)c1cccc(-n2ccnn2)c1	ZINC000807967199	674436427	/nfs/dbraw/zinc/43/64/27/674436427.db2.gz	YFLWWKFQWXTNIQ-UHFFFAOYSA-N	-1	3	355.423	2.111	20	30		FEEDHM
C=CCOc1ccc(C(=O)OCC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1	ZINC000823932012	607361754	/nfs/dbraw/zinc/36/17/54/607361754.db2.gz	KJMHFRJOQZKFIA-UHFFFAOYSA-N	-1	3	364.361	2.471	20	30		FEEDHM
C=CCOc1ccc(C(=O)OCC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1	ZINC000823932012	607361757	/nfs/dbraw/zinc/36/17/57/607361757.db2.gz	KJMHFRJOQZKFIA-UHFFFAOYSA-N	-1	3	364.361	2.471	20	30		FEEDHM
C[C@@H](CC#N)N(C)C(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1	ZINC000735963718	598753014	/nfs/dbraw/zinc/75/30/14/598753014.db2.gz	KOVAMVDNUXQZDG-LBPRGKRZSA-N	-1	3	366.381	2.413	20	30		FEEDHM
C[C@@H](CC#N)N(C)C(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1	ZINC000735963718	598753015	/nfs/dbraw/zinc/75/30/15/598753015.db2.gz	KOVAMVDNUXQZDG-LBPRGKRZSA-N	-1	3	366.381	2.413	20	30		FEEDHM
C[C@@H](Nc1ncnc2c1cnn2CCC#N)c1cccc(-c2nnn[n-]2)c1	ZINC000820461655	599355049	/nfs/dbraw/zinc/35/50/49/599355049.db2.gz	OZQHLIMXFZTAPX-LLVKDONJSA-N	-1	3	360.385	2.093	20	30		FEEDHM
C[C@@H](Nc1ncnc2c1cnn2CCC#N)c1cccc(-c2nn[n-]n2)c1	ZINC000820461655	599355050	/nfs/dbraw/zinc/35/50/50/599355050.db2.gz	OZQHLIMXFZTAPX-LLVKDONJSA-N	-1	3	360.385	2.093	20	30		FEEDHM
CC(=O)Nc1cccc(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)c1	ZINC000735487993	599460129	/nfs/dbraw/zinc/46/01/29/599460129.db2.gz	DZVBOJLHAVXBCW-VOTSOKGWSA-N	-1	3	373.376	2.369	20	30		FEEDHM
CC(=O)Nc1cccc(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)c1	ZINC000735487993	599460131	/nfs/dbraw/zinc/46/01/31/599460131.db2.gz	DZVBOJLHAVXBCW-VOTSOKGWSA-N	-1	3	373.376	2.369	20	30		FEEDHM
C[C@H](NC(=O)NCc1ccc(C#N)cc1F)c1cccc(-c2nnn[n-]2)c1	ZINC000820374027	599484053	/nfs/dbraw/zinc/48/40/53/599484053.db2.gz	MASDAYIZOCGZNW-NSHDSACASA-N	-1	3	365.372	2.438	20	30		FEEDHM
C[C@H](NC(=O)NCc1ccc(C#N)cc1F)c1cccc(-c2nn[n-]n2)c1	ZINC000820374027	599484054	/nfs/dbraw/zinc/48/40/54/599484054.db2.gz	MASDAYIZOCGZNW-NSHDSACASA-N	-1	3	365.372	2.438	20	30		FEEDHM
N#CCN(CC#N)C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1	ZINC000737692797	599567898	/nfs/dbraw/zinc/56/78/98/599567898.db2.gz	JNAIONCNUVKTPY-UHFFFAOYSA-N	-1	3	358.365	2.100	20	30		FEEDHM
C=CCOCCCC(=O)Oc1c(Cl)cc(-c2nnn[n-]2)cc1OC	ZINC000819759033	599629093	/nfs/dbraw/zinc/62/90/93/599629093.db2.gz	LWIRRZNMYJFEIV-UHFFFAOYSA-N	-1	3	352.778	2.417	20	30		FEEDHM
C=CCOCCCC(=O)Oc1c(Cl)cc(-c2nn[n-]n2)cc1OC	ZINC000819759033	599629094	/nfs/dbraw/zinc/62/90/94/599629094.db2.gz	LWIRRZNMYJFEIV-UHFFFAOYSA-N	-1	3	352.778	2.417	20	30		FEEDHM
CS(=O)(=O)Cc1cccc(CN[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1	ZINC000738159604	600596525	/nfs/dbraw/zinc/59/65/25/600596525.db2.gz	CZKGCAUPFPGQOU-KRWDZBQOSA-N	-1	3	358.419	2.018	20	30		FEEDHM
N#Cc1cccc([C@@H](C(=O)[O-])N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1	ZINC000833074361	601319354	/nfs/dbraw/zinc/31/93/54/601319354.db2.gz	WJKKUMFXYOMWLI-YOEHRIQHSA-N	-1	3	367.365	2.174	20	30		FEEDHM
Cc1cccc(S(=O)(=O)N[C@@H](C)c2ccc(C#N)cc2)c1-c1nnn[n-]1	ZINC000826302454	607587725	/nfs/dbraw/zinc/58/77/25/607587725.db2.gz	KAWCNNTYHFZTOT-LBPRGKRZSA-N	-1	3	368.422	2.086	20	30		FEEDHM
Cc1cccc(S(=O)(=O)N[C@@H](C)c2ccc(C#N)cc2)c1-c1nn[n-]n1	ZINC000826302454	607587726	/nfs/dbraw/zinc/58/77/26/607587726.db2.gz	KAWCNNTYHFZTOT-LBPRGKRZSA-N	-1	3	368.422	2.086	20	30		FEEDHM
COc1ccc(COC(=O)c2c(F)cc(C#N)cc2F)cc1-c1nnn[n-]1	ZINC000826205633	607612249	/nfs/dbraw/zinc/61/22/49/607612249.db2.gz	DOTBAIMVMQGAOR-UHFFFAOYSA-N	-1	3	371.303	2.382	20	30		FEEDHM
COc1ccc(COC(=O)c2c(F)cc(C#N)cc2F)cc1-c1nn[n-]n1	ZINC000826205633	607612251	/nfs/dbraw/zinc/61/22/51/607612251.db2.gz	DOTBAIMVMQGAOR-UHFFFAOYSA-N	-1	3	371.303	2.382	20	30		FEEDHM
C=C(C)CN1CCC(NC(=O)NC[C@@H](NC(=O)[O-])c2ccccc2)CC1	ZINC000823480484	603768058	/nfs/dbraw/zinc/76/80/58/603768058.db2.gz	DQCOKIMKQSUYQH-QGZVFWFLSA-N	-1	3	360.458	2.335	20	30		FEEDHM
Cc1nnc(-c2cccc(C#N)c2)n1CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-]	ZINC000830876218	603924612	/nfs/dbraw/zinc/92/46/12/603924612.db2.gz	XNFABYCYHCLLBE-SJORKVTESA-N	-1	3	366.425	2.299	20	30		FEEDHM
COc1ccccc1NC(=O)C(C#N)C(=O)[C@H]1CCC[C@H](NC(=O)[O-])C1	ZINC000829637875	604222139	/nfs/dbraw/zinc/22/21/39/604222139.db2.gz	IPSCCZUUFYGENR-RWMBFGLXSA-N	-1	3	359.382	2.169	20	30		FEEDHM
CCOC(=O)Nc1ccc(NC(=O)N(C)C[C@H](C)C#N)cc1-c1nnn[n-]1	ZINC000825532841	607765177	/nfs/dbraw/zinc/76/51/77/607765177.db2.gz	XSZRFELBCLCJNK-SNVBAGLBSA-N	-1	3	372.389	2.058	20	30		FEEDHM
CCOC(=O)Nc1ccc(NC(=O)N(C)C[C@H](C)C#N)cc1-c1nn[n-]n1	ZINC000825532841	607765178	/nfs/dbraw/zinc/76/51/78/607765178.db2.gz	XSZRFELBCLCJNK-SNVBAGLBSA-N	-1	3	372.389	2.058	20	30		FEEDHM
CN(CC(=O)N(C)C1(C#N)CCCCC1)C1C[C@H]2CC[C@@H](C1)N2C(=O)[O-]	ZINC000833870197	605875999	/nfs/dbraw/zinc/87/59/99/605875999.db2.gz	LXJUPXWBKPOZIC-XYPWUTKMSA-N	-1	3	362.474	2.276	20	30		FEEDHM
Cc1cc(C(=O)CSc2nc(N)c(-c3nnn[n-]3)cc2C#N)ccc1F	ZINC000822168553	606021162	/nfs/dbraw/zinc/02/11/62/606021162.db2.gz	PNUOQZHCFOHJGP-UHFFFAOYSA-N	-1	3	369.385	2.138	20	30		FEEDHM
Cc1cc(C(=O)CSc2nc(N)c(-c3nn[n-]n3)cc2C#N)ccc1F	ZINC000822168553	606021166	/nfs/dbraw/zinc/02/11/66/606021166.db2.gz	PNUOQZHCFOHJGP-UHFFFAOYSA-N	-1	3	369.385	2.138	20	30		FEEDHM
N#Cc1ccc(SCCS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cc1	ZINC000822832945	606330629	/nfs/dbraw/zinc/33/06/29/606330629.db2.gz	JROAZRKWWBGLMD-UHFFFAOYSA-N	-1	3	371.447	2.304	20	30		FEEDHM
N#Cc1ccc(SCCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cc1	ZINC000822832945	606330632	/nfs/dbraw/zinc/33/06/32/606330632.db2.gz	JROAZRKWWBGLMD-UHFFFAOYSA-N	-1	3	371.447	2.304	20	30		FEEDHM
C[C@H](NC(=S)NN=C1CCCc2cc(-c3nnn[n-]3)ccc21)C1CC1	ZINC000820404327	606340587	/nfs/dbraw/zinc/34/05/87/606340587.db2.gz	SCUONHQDGHWQEV-JTQLQIEISA-N	-1	3	355.471	2.170	20	30		FEEDHM
C[C@H](NC(=S)NN=C1CCCc2cc(-c3nn[n-]n3)ccc21)C1CC1	ZINC000820404327	606340588	/nfs/dbraw/zinc/34/05/88/606340588.db2.gz	SCUONHQDGHWQEV-JTQLQIEISA-N	-1	3	355.471	2.170	20	30		FEEDHM
C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)c1cc(C#N)cs1	ZINC000820293867	606465829	/nfs/dbraw/zinc/46/58/29/606465829.db2.gz	QAJVMUXJMYOLHW-SNVBAGLBSA-N	-1	3	355.379	2.424	20	30		FEEDHM
C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)c1cc(C#N)cs1	ZINC000820293867	606465830	/nfs/dbraw/zinc/46/58/30/606465830.db2.gz	QAJVMUXJMYOLHW-SNVBAGLBSA-N	-1	3	355.379	2.424	20	30		FEEDHM
CN(Cc1cccc(C#N)c1)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F	ZINC000821613451	606667887	/nfs/dbraw/zinc/66/78/87/606667887.db2.gz	NWRQLEUNTKRAMQ-UHFFFAOYSA-N	-1	3	354.320	2.289	20	30		FEEDHM
CN(Cc1cccc(C#N)c1)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F	ZINC000821613451	606667888	/nfs/dbraw/zinc/66/78/88/606667888.db2.gz	NWRQLEUNTKRAMQ-UHFFFAOYSA-N	-1	3	354.320	2.289	20	30		FEEDHM
COc1ccc(C#N)cc1NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1	ZINC000821769998	606703231	/nfs/dbraw/zinc/70/32/31/606703231.db2.gz	MXDMXTURRGIQJG-UHFFFAOYSA-N	-1	3	374.364	2.409	20	30		FEEDHM
COc1ccc(C#N)cc1NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1	ZINC000821769998	606703233	/nfs/dbraw/zinc/70/32/33/606703233.db2.gz	MXDMXTURRGIQJG-UHFFFAOYSA-N	-1	3	374.364	2.409	20	30		FEEDHM
N#CCOc1cc(F)ccc1NC(=O)CCc1ccc(-c2nnn[n-]2)cc1	ZINC000822810033	606745645	/nfs/dbraw/zinc/74/56/45/606745645.db2.gz	AEBBZGDIFSSVNS-UHFFFAOYSA-N	-1	3	366.356	2.479	20	30		FEEDHM
N#CCOc1cc(F)ccc1NC(=O)CCc1ccc(-c2nn[n-]n2)cc1	ZINC000822810033	606745647	/nfs/dbraw/zinc/74/56/47/606745647.db2.gz	AEBBZGDIFSSVNS-UHFFFAOYSA-N	-1	3	366.356	2.479	20	30		FEEDHM
C#CCCCCNC(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1	ZINC000819692373	606987903	/nfs/dbraw/zinc/98/79/03/606987903.db2.gz	DXBSDIIIIKXQFG-UHFFFAOYSA-N	-1	3	368.441	2.223	20	30		FEEDHM
C#CCCCCNC(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1	ZINC000819692373	606987904	/nfs/dbraw/zinc/98/79/04/606987904.db2.gz	DXBSDIIIIKXQFG-UHFFFAOYSA-N	-1	3	368.441	2.223	20	30		FEEDHM
C[C@H](Oc1ccc(C#N)cc1)C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1	ZINC000820533926	606991537	/nfs/dbraw/zinc/99/15/37/606991537.db2.gz	HVIVMVLJJNSWJQ-NSHDSACASA-N	-1	3	367.340	2.388	20	30		FEEDHM
C[C@H](Oc1ccc(C#N)cc1)C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1	ZINC000820533926	606991538	/nfs/dbraw/zinc/99/15/38/606991538.db2.gz	HVIVMVLJJNSWJQ-NSHDSACASA-N	-1	3	367.340	2.388	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)CCSc2cccc(-c3nnn[n-]3)c2)cc1	ZINC000822833500	607012048	/nfs/dbraw/zinc/01/20/48/607012048.db2.gz	QQRKSBWHHFGCLT-UHFFFAOYSA-N	-1	3	371.447	2.304	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)CCSc2cccc(-c3nn[n-]n3)c2)cc1	ZINC000822833500	607012050	/nfs/dbraw/zinc/01/20/50/607012050.db2.gz	QQRKSBWHHFGCLT-UHFFFAOYSA-N	-1	3	371.447	2.304	20	30		FEEDHM
C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCc1cc(F)ccc1C#N	ZINC000820548509	607076910	/nfs/dbraw/zinc/07/69/10/607076910.db2.gz	BAIVQFKMSOEWSW-LLVKDONJSA-N	-1	3	367.340	2.388	20	30		FEEDHM
C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OCc1cc(F)ccc1C#N	ZINC000820548509	607076913	/nfs/dbraw/zinc/07/69/13/607076913.db2.gz	BAIVQFKMSOEWSW-LLVKDONJSA-N	-1	3	367.340	2.388	20	30		FEEDHM
N#CC(=C([O-])c1ccc(-c2nn[nH]n2)[nH]1)c1nc2cc(F)ccc2s1	ZINC000826379631	607778110	/nfs/dbraw/zinc/77/81/10/607778110.db2.gz	XJDQEEQEFRSKQA-QMMMGPOBSA-N	-1	3	353.342	2.434	20	30		FEEDHM
CCOc1nc2sccn2c1C=NNCc1ccc(-c2nn[n-]n2)cc1	ZINC000825658296	607816222	/nfs/dbraw/zinc/81/62/22/607816222.db2.gz	DAVUTXBPVCHKLT-UHFFFAOYSA-N	-1	3	368.426	2.098	20	30		FEEDHM
CCCN1c2ccccc2C(=NN=Cc2ccccc2-c2nnn[n-]2)C1=O	ZINC000825322922	607882389	/nfs/dbraw/zinc/88/23/89/607882389.db2.gz	LSGMPFMGGGHFEX-UHFFFAOYSA-N	-1	3	359.393	2.447	20	30		FEEDHM
CCCN1c2ccccc2C(=NN=Cc2ccccc2-c2nn[n-]n2)C1=O	ZINC000825322922	607882390	/nfs/dbraw/zinc/88/23/90/607882390.db2.gz	LSGMPFMGGGHFEX-UHFFFAOYSA-N	-1	3	359.393	2.447	20	30		FEEDHM
Cc1nn(-c2ccccc2)cc1C=NNCc1ccc(-c2nnn[n-]2)cc1	ZINC000826333218	607889465	/nfs/dbraw/zinc/88/94/65/607889465.db2.gz	YZQQNBXYWVCBHA-UHFFFAOYSA-N	-1	3	358.409	2.485	20	30		FEEDHM
Cc1nn(-c2ccccc2)cc1C=NNCc1ccc(-c2nn[n-]n2)cc1	ZINC000826333218	607889466	/nfs/dbraw/zinc/88/94/66/607889466.db2.gz	YZQQNBXYWVCBHA-UHFFFAOYSA-N	-1	3	358.409	2.485	20	30		FEEDHM
C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCc2ccc(C#N)cc21	ZINC000824744607	607947000	/nfs/dbraw/zinc/94/70/00/607947000.db2.gz	CCZORYDDEDIZLO-LBPRGKRZSA-N	-1	3	360.377	2.095	20	30		FEEDHM
C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCc2ccc(C#N)cc21	ZINC000824744607	607947001	/nfs/dbraw/zinc/94/70/01/607947001.db2.gz	CCZORYDDEDIZLO-LBPRGKRZSA-N	-1	3	360.377	2.095	20	30		FEEDHM
C=CCCOCCNC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C	ZINC000823899112	607959003	/nfs/dbraw/zinc/95/90/03/607959003.db2.gz	MAINQOMRPKMOMB-UHFFFAOYSA-N	-1	3	360.418	2.368	20	30		FEEDHM
C=CCCOCCNC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C	ZINC000823899112	607959004	/nfs/dbraw/zinc/95/90/04/607959004.db2.gz	MAINQOMRPKMOMB-UHFFFAOYSA-N	-1	3	360.418	2.368	20	30		FEEDHM
CC[C@H](C#N)NC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1	ZINC000825038963	607981137	/nfs/dbraw/zinc/98/11/37/607981137.db2.gz	LCKQZWOJGXWKMV-CYBMUJFWSA-N	-1	3	352.354	2.071	20	30		FEEDHM
CC[C@H](C#N)NC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1	ZINC000825038963	607981138	/nfs/dbraw/zinc/98/11/38/607981138.db2.gz	LCKQZWOJGXWKMV-CYBMUJFWSA-N	-1	3	352.354	2.071	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2cnc([C@H]3CCCO3)s2)cc1-c1nnn[n-]1	ZINC000826385308	608028301	/nfs/dbraw/zinc/02/83/01/608028301.db2.gz	GIVYWSHXLFWRLT-GFCCVEGCSA-N	-1	3	367.394	2.299	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2cnc([C@H]3CCCO3)s2)cc1-c1nn[n-]n1	ZINC000826385308	608028302	/nfs/dbraw/zinc/02/83/02/608028302.db2.gz	GIVYWSHXLFWRLT-GFCCVEGCSA-N	-1	3	367.394	2.299	20	30		FEEDHM
N#Cc1cccc([C@H]2CN(Cc3ccc(F)c(-c4nnn[n-]4)c3)CCO2)c1	ZINC000826386829	608070652	/nfs/dbraw/zinc/07/06/52/608070652.db2.gz	UQHKUFLNMDNHCT-GOSISDBHSA-N	-1	3	364.384	2.451	20	30		FEEDHM
N#Cc1cccc([C@H]2CN(Cc3ccc(F)c(-c4nn[n-]n4)c3)CCO2)c1	ZINC000826386829	608070653	/nfs/dbraw/zinc/07/06/53/608070653.db2.gz	UQHKUFLNMDNHCT-GOSISDBHSA-N	-1	3	364.384	2.451	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1CCC(=O)C[C@H]1C	ZINC000823910003	608119976	/nfs/dbraw/zinc/11/99/76/608119976.db2.gz	VRKVWXBFLWQTEU-CXAGYDPISA-N	-1	3	353.426	2.387	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1CCC(=O)C[C@H]1C	ZINC000823910003	608119977	/nfs/dbraw/zinc/11/99/77/608119977.db2.gz	VRKVWXBFLWQTEU-CXAGYDPISA-N	-1	3	353.426	2.387	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1CCC(=O)C[C@@H]1C	ZINC000823910006	608120189	/nfs/dbraw/zinc/12/01/89/608120189.db2.gz	VRKVWXBFLWQTEU-SUMWQHHRSA-N	-1	3	353.426	2.387	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1CCC(=O)C[C@@H]1C	ZINC000823910006	608120190	/nfs/dbraw/zinc/12/01/90/608120190.db2.gz	VRKVWXBFLWQTEU-SUMWQHHRSA-N	-1	3	353.426	2.387	20	30		FEEDHM
COCCOc1ccc(C#N)cc1NC(=O)c1ccc(-c2nnn[n-]2)cc1	ZINC000826162470	608138398	/nfs/dbraw/zinc/13/83/98/608138398.db2.gz	CYXFKCFYRRHOCD-UHFFFAOYSA-N	-1	3	364.365	2.016	20	30		FEEDHM
COCCOc1ccc(C#N)cc1NC(=O)c1ccc(-c2nn[n-]n2)cc1	ZINC000826162470	608138399	/nfs/dbraw/zinc/13/83/99/608138399.db2.gz	CYXFKCFYRRHOCD-UHFFFAOYSA-N	-1	3	364.365	2.016	20	30		FEEDHM
COc1ccc(-c2nnn[n-]2)cc1CON=C1CCC2(CC1)OCCO2	ZINC000826184947	608150809	/nfs/dbraw/zinc/15/08/09/608150809.db2.gz	RFVUUQKSUBPIKF-UHFFFAOYSA-N	-1	3	359.386	2.065	20	30		FEEDHM
COc1ccc(-c2nn[n-]n2)cc1CON=C1CCC2(CC1)OCCO2	ZINC000826184947	608150810	/nfs/dbraw/zinc/15/08/10/608150810.db2.gz	RFVUUQKSUBPIKF-UHFFFAOYSA-N	-1	3	359.386	2.065	20	30		FEEDHM
COc1ccc(-c2nn[n-]n2)cc1CON=C(N)c1ccc(Cl)cc1	ZINC000826185051	608150904	/nfs/dbraw/zinc/15/09/04/608150904.db2.gz	WWADITFDEDLIGK-UHFFFAOYSA-N	-1	3	358.789	2.366	20	30		FEEDHM
CCCn1ncc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c1C1CC1	ZINC000825362861	608307277	/nfs/dbraw/zinc/30/72/77/608307277.db2.gz	RVKVKUVESVQRKI-UHFFFAOYSA-N	-1	3	362.397	2.475	20	30		FEEDHM
CCCn1ncc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c1C1CC1	ZINC000825362861	608307280	/nfs/dbraw/zinc/30/72/80/608307280.db2.gz	RVKVKUVESVQRKI-UHFFFAOYSA-N	-1	3	362.397	2.475	20	30		FEEDHM
N#Cc1cccc([C@H]2CN(Cc3cccc(-c4nnn[n-]4)c3F)CCO2)c1	ZINC000826386396	608418935	/nfs/dbraw/zinc/41/89/35/608418935.db2.gz	BXXGMYAYNCZJIV-QGZVFWFLSA-N	-1	3	364.384	2.451	20	30		FEEDHM
N#Cc1cccc([C@H]2CN(Cc3cccc(-c4nn[n-]n4)c3F)CCO2)c1	ZINC000826386396	608418937	/nfs/dbraw/zinc/41/89/37/608418937.db2.gz	BXXGMYAYNCZJIV-QGZVFWFLSA-N	-1	3	364.384	2.451	20	30		FEEDHM
C=CCNc1nc(C(=O)OCc2cccc(-c3nnn[n-]3)c2F)cs1	ZINC000823926107	608438013	/nfs/dbraw/zinc/43/80/13/608438013.db2.gz	ZVPMYZGOCQNKHR-UHFFFAOYSA-N	-1	3	360.374	2.417	20	30		FEEDHM
C=CCNc1nc(C(=O)OCc2cccc(-c3nn[n-]n3)c2F)cs1	ZINC000823926107	608438015	/nfs/dbraw/zinc/43/80/15/608438015.db2.gz	ZVPMYZGOCQNKHR-UHFFFAOYSA-N	-1	3	360.374	2.417	20	30		FEEDHM
N#Cc1csc(CN2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)c1	ZINC000826387824	608641018	/nfs/dbraw/zinc/64/10/18/608641018.db2.gz	SUDBWWPSOTVHTA-UHFFFAOYSA-N	-1	3	369.429	2.261	20	30		FEEDHM
O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1cn(-c2ccccc2)nn1	ZINC000826401083	608881331	/nfs/dbraw/zinc/88/13/31/608881331.db2.gz	PAHVLYANRMLLBI-VQHVLOKHSA-N	-1	3	361.340	2.483	20	30		FEEDHM
O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1cn(-c2ccccc2)nn1	ZINC000826401083	608881334	/nfs/dbraw/zinc/88/13/34/608881334.db2.gz	PAHVLYANRMLLBI-VQHVLOKHSA-N	-1	3	361.340	2.483	20	30		FEEDHM
C#CCCCCCC(=O)OCC(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1	ZINC000823841449	609133362	/nfs/dbraw/zinc/13/33/62/609133362.db2.gz	NQRUCIBEKXILLR-UHFFFAOYSA-N	-1	3	359.386	2.142	20	30		FEEDHM
C[C@H](C#N)Oc1ccccc1NC(=O)CNc1ccc(-c2nn[n-]n2)cc1	ZINC000824035170	609263250	/nfs/dbraw/zinc/26/32/50/609263250.db2.gz	SWLPDIYIQHZRSC-GFCCVEGCSA-N	-1	3	363.381	2.208	20	30		FEEDHM
C=CCOCCCC(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1	ZINC000823925922	609288092	/nfs/dbraw/zinc/28/80/92/609288092.db2.gz	RCBNDMPQOMTYGZ-UHFFFAOYSA-N	-1	3	371.376	2.113	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cnn(CCC)c1	ZINC000823914981	609377317	/nfs/dbraw/zinc/37/73/17/609377317.db2.gz	QPCBXHJKQSAAHN-UHFFFAOYSA-N	-1	3	351.414	2.302	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cnn(CCC)c1	ZINC000823914981	609377318	/nfs/dbraw/zinc/37/73/18/609377318.db2.gz	QPCBXHJKQSAAHN-UHFFFAOYSA-N	-1	3	351.414	2.302	20	30		FEEDHM
N#CCC1CCN(CC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)CC1	ZINC000826381142	609432401	/nfs/dbraw/zinc/43/24/01/609432401.db2.gz	ZBPHYLGUBWMREU-UHFFFAOYSA-N	-1	3	359.821	2.084	20	30		FEEDHM
N#CCC1CCN(CC(=O)Nc2cc(Cl)ccc2-c2nn[n-]n2)CC1	ZINC000826381142	609432402	/nfs/dbraw/zinc/43/24/02/609432402.db2.gz	ZBPHYLGUBWMREU-UHFFFAOYSA-N	-1	3	359.821	2.084	20	30		FEEDHM
C=CCN(CCc1ccco1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C	ZINC000823909613	609450075	/nfs/dbraw/zinc/45/00/75/609450075.db2.gz	KYVPLLPQXVWANO-UHFFFAOYSA-N	-1	3	373.438	2.188	20	30		FEEDHM
C=CCN(CCc1ccco1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C	ZINC000823909613	609450078	/nfs/dbraw/zinc/45/00/78/609450078.db2.gz	KYVPLLPQXVWANO-UHFFFAOYSA-N	-1	3	373.438	2.188	20	30		FEEDHM
Cn1nnc2cc(C=NNc3ccc(-c4nnn[n-]4)c(Cl)c3)ccc21	ZINC000826367299	609474821	/nfs/dbraw/zinc/47/48/21/609474821.db2.gz	TXLBETWIZKFKLC-UHFFFAOYSA-N	-1	3	353.777	2.248	20	30		FEEDHM
Cn1nnc2cc(C=NNc3ccc(-c4nn[n-]n4)c(Cl)c3)ccc21	ZINC000826367299	609474823	/nfs/dbraw/zinc/47/48/23/609474823.db2.gz	TXLBETWIZKFKLC-UHFFFAOYSA-N	-1	3	353.777	2.248	20	30		FEEDHM
CCNc1ccc(C#N)cc1NC(=O)c1cc(S(=O)(=O)[N-]C)oc1C	ZINC000560594265	674602342	/nfs/dbraw/zinc/60/23/42/674602342.db2.gz	XQURVXSFZNQCHZ-UHFFFAOYSA-N	-1	3	362.411	2.052	20	30		FEEDHM
CC(=N[N-]S(=O)(=O)CCc1ccccc1)[C@@H](C)NC(=O)OC(C)(C)C	ZINC000811642891	674618071	/nfs/dbraw/zinc/61/80/71/674618071.db2.gz	KBTZZQFHWVPFNK-CYBMUJFWSA-N	-1	3	369.487	2.438	20	30		FEEDHM
CC(=N[N-]S(=O)(=O)Cc1ccccc1)[C@H](C)NC(=O)OC(C)(C)C	ZINC000811639965	674618094	/nfs/dbraw/zinc/61/80/94/674618094.db2.gz	KSQLFHGLLVOHNF-LBPRGKRZSA-N	-1	3	355.460	2.395	20	30		FEEDHM
C#C[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)oc1C)c1ccc(F)cc1	ZINC000812526275	674682626	/nfs/dbraw/zinc/68/26/26/674682626.db2.gz	GYZRZIHVBFLIFH-ZDUSSCGKSA-N	-1	3	351.355	2.167	20	30		FEEDHM
N#Cc1csc(C=Nn2c(=S)[n-]nc2[C@H]2COc3ccccc3O2)n1	ZINC000814741443	674877828	/nfs/dbraw/zinc/87/78/28/674877828.db2.gz	BBPUENPPHMZMBM-GFCCVEGCSA-N	-1	3	370.419	2.290	20	30		FEEDHM
COCc1nc(Cl)cc(NN=Cc2ccc([N+](=O)[O-])c(OC)c2[O-])n1	ZINC000814978389	674891683	/nfs/dbraw/zinc/89/16/83/674891683.db2.gz	DAZMBFOQRYHHAK-UHFFFAOYSA-N	-1	3	367.749	2.345	20	30		FEEDHM
COCc1nc(Cl)cc(N=NCc2ccc([N+](=O)[O-])c(OC)c2[O-])n1	ZINC000814978389	674891684	/nfs/dbraw/zinc/89/16/84/674891684.db2.gz	DAZMBFOQRYHHAK-UHFFFAOYSA-N	-1	3	367.749	2.345	20	30		FEEDHM
CN1CCN(c2ccccc2[N-]S(=O)(=O)c2cccc(C#N)c2)CC1	ZINC000010762223	669990611	/nfs/dbraw/zinc/99/06/11/669990611.db2.gz	YPJMYSZESOHWAN-UHFFFAOYSA-N	-1	3	356.451	2.111	20	30		FEEDHM
CC(C)Oc1ccc(-c2nc(C(=O)N[C@H]3CCN([O-])C3=O)cs2)cc1	ZINC000816695111	675073612	/nfs/dbraw/zinc/07/36/12/675073612.db2.gz	VRSYGSPXTUCUSI-ZDUSSCGKSA-N	-1	3	361.423	2.317	20	30		FEEDHM
CCOC(=O)Nc1ccc([N-]S(=O)(=O)C[C@H](CC)OC)cc1C#N	ZINC000817356479	675124484	/nfs/dbraw/zinc/12/44/84/675124484.db2.gz	MHQKHTSPWXSJFK-ZDUSSCGKSA-N	-1	3	355.416	2.293	20	30		FEEDHM
COCCS(=O)(=O)[N-]c1cccc(C(=O)Nc2cccc(C#N)c2)c1	ZINC000609986674	675945890	/nfs/dbraw/zinc/94/58/90/675945890.db2.gz	SCZFVRFTJHPCGU-UHFFFAOYSA-N	-1	3	359.407	2.199	20	30		FEEDHM
COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2cccc(C#N)c2)s1	ZINC000610339426	675967413	/nfs/dbraw/zinc/96/74/13/675967413.db2.gz	UNJFCDBTVTWZSU-JTQLQIEISA-N	-1	3	350.421	2.446	20	30		FEEDHM
CN(c1cccc(C#N)c1)S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1	ZINC000584443840	672188089	/nfs/dbraw/zinc/18/80/89/672188089.db2.gz	URDIPYNIWVVQJF-UHFFFAOYSA-N	-1	3	374.813	2.217	20	30		FEEDHM
CN(c1cccc(C#N)c1)S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1	ZINC000584443840	672188090	/nfs/dbraw/zinc/18/80/90/672188090.db2.gz	URDIPYNIWVVQJF-UHFFFAOYSA-N	-1	3	374.813	2.217	20	30		FEEDHM
Cc1cc(C)[n-]c(=NNS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)n1	ZINC000154284125	672213775	/nfs/dbraw/zinc/21/37/75/672213775.db2.gz	AOJFMVVLJUMWBC-UHFFFAOYSA-N	-1	3	371.344	2.289	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]C2(c3ccc4c(c3)OCO4)CC2)c(F)c1	ZINC000610899072	676004540	/nfs/dbraw/zinc/00/45/40/676004540.db2.gz	FVUGRVKUGXFEJL-UHFFFAOYSA-N	-1	3	360.366	2.394	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H](COCC)C(C)C)ccc1F	ZINC000189531652	672617395	/nfs/dbraw/zinc/61/73/95/672617395.db2.gz	YXBUHSJPGSUGNO-OAHLLOKOSA-N	-1	3	372.462	2.081	20	30		FEEDHM
CC(C)(C#N)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br	ZINC000611619535	676048397	/nfs/dbraw/zinc/04/83/97/676048397.db2.gz	MMUCYAFZQAVTTC-UHFFFAOYSA-N	-1	3	362.205	2.185	20	30		FEEDHM
C=CCn1c(=O)c2ccc(C(=O)NC[C@@H]3CCCN3C)cc2[n-]c1=S	ZINC000194731160	672766984	/nfs/dbraw/zinc/76/69/84/672766984.db2.gz	SVJJEAFUBIEYEH-ZDUSSCGKSA-N	-1	3	358.467	2.069	20	30		FEEDHM
C=C(Br)CNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-]	ZINC000195207391	672778853	/nfs/dbraw/zinc/77/88/53/672778853.db2.gz	FWVACRGYYJIWAH-LBPRGKRZSA-N	-1	3	353.216	2.022	20	30		FEEDHM
Cc1ccc(C[N-]S(=O)(=O)c2ccsc2C#N)c(N2CCCC2)n1	ZINC000593575451	672948511	/nfs/dbraw/zinc/94/85/11/672948511.db2.gz	IKWBSESMFVCUIY-UHFFFAOYSA-N	-1	3	362.480	2.402	20	30		FEEDHM
C#CC[C@H](COC)[N-]S(=O)(=O)c1cc(C)c(Br)s1	ZINC000716877645	673076145	/nfs/dbraw/zinc/07/61/45/673076145.db2.gz	GHMJSXOOVJCATD-SECBINFHSA-N	-1	3	352.275	2.136	20	30		FEEDHM
CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)[C@H](C#N)CC)cc1	ZINC000594578750	673101685	/nfs/dbraw/zinc/10/16/85/673101685.db2.gz	DUJNFYJYPRZJOD-AWEZNQCLSA-N	-1	3	373.500	2.151	20	30		FEEDHM
CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(CC)[C@H](C)C#N)cc1	ZINC000595358391	673232493	/nfs/dbraw/zinc/23/24/93/673232493.db2.gz	UFEPIQFSUZPMSH-CYBMUJFWSA-N	-1	3	373.500	2.151	20	30		FEEDHM
COC(=O)c1sc2[n-]c(CN3CCC[C@@H](CC#N)C3)nc(=O)c2c1C	ZINC000595617502	673273907	/nfs/dbraw/zinc/27/39/07/673273907.db2.gz	WQHLVLAGXLINAO-NSHDSACASA-N	-1	3	360.439	2.205	20	30		FEEDHM
C=C1CCN(C(=O)c2c(F)ccc(S(=O)(=O)[N-]C3CC3)c2F)CC1	ZINC000731197471	673325288	/nfs/dbraw/zinc/32/52/88/673325288.db2.gz	VMTOLEPNXQFNAE-UHFFFAOYSA-N	-1	3	356.394	2.198	20	30		FEEDHM
Cc1ccc(C=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)cc1F	ZINC000731486827	673332136	/nfs/dbraw/zinc/33/21/36/673332136.db2.gz	WOADAPHBCFOBBZ-UHFFFAOYSA-N	-1	3	351.359	2.496	20	30		FEEDHM
C[C@H](OC(=O)c1cncc([O-])c1)C(=O)Nc1sc2c(c1C#N)CCC2	ZINC000732394006	673366161	/nfs/dbraw/zinc/36/61/61/673366161.db2.gz	HRNWVFXACTZMSK-VIFPVBQESA-N	-1	3	357.391	2.393	20	30		FEEDHM
COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)cn1	ZINC000536701772	673377229	/nfs/dbraw/zinc/37/72/29/673377229.db2.gz	SDPOSWWVCPOFER-UHFFFAOYSA-N	-1	3	351.771	2.194	20	30		FEEDHM
CC[C@H](C)[C@H](C)NC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000742584249	673731587	/nfs/dbraw/zinc/73/15/87/673731587.db2.gz	YJZWGUWSLANVAG-XQQFMLRXSA-N	-1	3	351.472	2.055	20	30		FEEDHM
CC(C)C[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OCCC1CC1	ZINC000744287563	673791033	/nfs/dbraw/zinc/79/10/33/673791033.db2.gz	VGXVXMYLVJQNBB-OAHLLOKOSA-N	-1	3	364.467	2.483	20	30		FEEDHM
CC#CCOC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl	ZINC000744572621	673801972	/nfs/dbraw/zinc/80/19/72/673801972.db2.gz	DKUIASXZSMAJDH-UHFFFAOYSA-N	-1	3	350.223	2.228	20	30		FEEDHM
CC[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000546882756	673825280	/nfs/dbraw/zinc/82/52/80/673825280.db2.gz	ROLNZGXGQYRTLC-QMMMGPOBSA-N	-1	3	351.306	2.476	20	30		FEEDHM
COc1ccccc1[C@H](CO)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl	ZINC000548447436	673959251	/nfs/dbraw/zinc/95/92/51/673959251.db2.gz	HGCLKYYNXQVVNA-AWEZNQCLSA-N	-1	3	366.826	2.232	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2C[C@H]2C2CCC2)ccc1F	ZINC000819628879	675305621	/nfs/dbraw/zinc/30/56/21/675305621.db2.gz	HJLNDLKNRVSYHY-DZGCQCFKSA-N	-1	3	352.431	2.208	20	30		FEEDHM
C=CCC[C@@H]([N-]S(=O)(=O)Cc1ccc(CC#N)cc1)C(=O)OCC	ZINC000567774308	675321085	/nfs/dbraw/zinc/32/10/85/675321085.db2.gz	GJXLNKFMSWPDDG-MRXNPFEDSA-N	-1	3	350.440	2.070	20	30		FEEDHM
O=C(CCC(=O)c1cc(Cl)sc1Cl)N[C@H]1CCN([O-])C1=O	ZINC000820149147	675339430	/nfs/dbraw/zinc/33/94/30/675339430.db2.gz	MATUZGFCDRIKAF-ZETCQYMHSA-N	-1	3	351.211	2.124	20	30		FEEDHM
O=C(N[C@H]1CCN([O-])C1=O)c1c2c(sc1-n1cccc1)CSCC2	ZINC000820180392	675341565	/nfs/dbraw/zinc/34/15/65/675341565.db2.gz	XJUQQXGKWKMFAL-NSHDSACASA-N	-1	3	363.464	2.048	20	30		FEEDHM
CC(=NNc1cccc(S(C)(=O)=O)c1)c1cccc(-c2nnn[n-]2)c1	ZINC000823963242	675577902	/nfs/dbraw/zinc/57/79/02/675577902.db2.gz	ZCUZUOWXZOKALU-UHFFFAOYSA-N	-1	3	356.411	2.106	20	30		FEEDHM
CC(=NNc1cccc(S(C)(=O)=O)c1)c1cccc(-c2nn[n-]n2)c1	ZINC000823963242	675577903	/nfs/dbraw/zinc/57/79/03/675577903.db2.gz	ZCUZUOWXZOKALU-UHFFFAOYSA-N	-1	3	356.411	2.106	20	30		FEEDHM
N#Cc1ncn(Cc2csc(-c3ccc(F)cc3)n2)c1-c1nnn[n-]1	ZINC000826388070	675687766	/nfs/dbraw/zinc/68/77/66/675687766.db2.gz	HFKXIOUVEZBFLO-UHFFFAOYSA-N	-1	3	352.358	2.246	20	30		FEEDHM
C=CC[C@H]1CCCC[C@@H]1NC(=O)[C@H](C)[N-]S(=O)(=O)c1c(C)noc1C	ZINC000617034966	676267753	/nfs/dbraw/zinc/26/77/53/676267753.db2.gz	GJNRWDAQTAAYLR-QEJZJMRPSA-N	-1	3	369.487	2.209	20	30		FEEDHM
Cc1ccc(N2CCC[C@@H]([N-]S(=O)(=O)CC3(CC#N)CC3)C2=O)cc1	ZINC000830708032	677056556	/nfs/dbraw/zinc/05/65/56/677056556.db2.gz	MOJKPTFECATEOY-MRXNPFEDSA-N	-1	3	361.467	2.104	20	30		FEEDHM
COc1ccnc(N=NCc2ccc(OC)c([O-])c2Br)n1	ZINC000761013403	680707449	/nfs/dbraw/zinc/70/74/49/680707449.db2.gz	SOOFFMVSTZKMGJ-UHFFFAOYSA-N	-1	3	353.176	2.408	20	30		FEEDHM
COc1ccc(C=NNC2=N[C@@H]3CCCC[C@@H]3N2)c(Br)c1[O-]	ZINC000761013207	680707508	/nfs/dbraw/zinc/70/75/08/680707508.db2.gz	QFZUROUQUHNRMB-PHIMTYICSA-N	-1	3	367.247	2.357	20	30		FEEDHM
CC[C@]1(C)NC(=O)N(N=Cc2ccc(OC)c([O-])c2Br)C1=O	ZINC000761014350	680707582	/nfs/dbraw/zinc/70/75/82/680707582.db2.gz	DXTHAEDRZFDTIU-AWEZNQCLSA-N	-1	3	370.203	2.218	20	30		FEEDHM
C=C[C@H](C)NC(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl	ZINC000672463842	679376907	/nfs/dbraw/zinc/37/69/07/679376907.db2.gz	RDPMPWHXFODLQR-VIFPVBQESA-N	-1	3	366.270	2.145	20	30		FEEDHM
N#Cc1ccc(COC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)cc1	ZINC000750214184	680106815	/nfs/dbraw/zinc/10/68/15/680106815.db2.gz	JSMLLTROPJUUBE-UHFFFAOYSA-N	-1	3	370.839	2.295	20	30		FEEDHM
C=CCC[C@H]([N-]S(=O)(=O)c1cnc(Cl)c(F)c1)C(=O)OCC	ZINC000832550703	680148411	/nfs/dbraw/zinc/14/84/11/680148411.db2.gz	SUDCPCCPXBHUJV-NSHDSACASA-N	-1	3	350.799	2.050	20	30		FEEDHM
CC[C@@H](NC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21)C1CCCCC1	ZINC000751192310	680159120	/nfs/dbraw/zinc/15/91/20/680159120.db2.gz	SADAJVGSZPHAIC-OAHLLOKOSA-N	-1	3	363.483	2.200	20	30		FEEDHM
C[C@@H](CC(=O)NC1C(C)(C)C1(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000752037185	680219475	/nfs/dbraw/zinc/21/94/75/680219475.db2.gz	BDLCSPOPKYUWBP-NSHDSACASA-N	-1	3	363.483	2.055	20	30		FEEDHM
N#CC1(COC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)CCC1	ZINC000837416185	680599613	/nfs/dbraw/zinc/59/96/13/680599613.db2.gz	OOEAYYCTBRNTFN-UHFFFAOYSA-N	-1	3	352.387	2.117	20	30		FEEDHM
C#CCOc1cccc(COC(=O)c2ccc([N-]S(C)(=O)=O)cc2)c1	ZINC000759319986	680641994	/nfs/dbraw/zinc/64/19/94/680641994.db2.gz	QKAFHIKPLVKCLB-UHFFFAOYSA-N	-1	3	359.403	2.427	20	30		FEEDHM
Cc1nc([N-]C(=O)c2nc(Cl)ccc2F)n(-c2ccc(C#N)cc2)n1	ZINC000759876422	680670879	/nfs/dbraw/zinc/67/08/79/680670879.db2.gz	BRQTVWGZNOTBTI-UHFFFAOYSA-N	-1	3	356.748	2.309	20	30		FEEDHM
C#CCC(C)(C)COC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000760276704	680681276	/nfs/dbraw/zinc/68/12/76/680681276.db2.gz	SDEQHBCXINLIGG-CYBMUJFWSA-N	-1	3	362.451	2.096	20	30		FEEDHM
C#CC[C@H]1CCCN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)C1	ZINC000843679752	681013405	/nfs/dbraw/zinc/01/34/05/681013405.db2.gz	WHSPHRAVKJMKHS-AWEZNQCLSA-N	-1	3	366.458	2.388	20	30		FEEDHM
C[N-]S(=O)(=O)c1cc(C(=O)OCC#Cc2ccc(F)cc2)ccc1F	ZINC000771370799	681052992	/nfs/dbraw/zinc/05/29/92/681052992.db2.gz	IUKFMMBMDLBKRK-UHFFFAOYSA-N	-1	3	365.357	2.081	20	30		FEEDHM
C=CCCCCNC(=O)C[C@@H](C)[N-]S(=O)(=O)c1cccnc1Cl	ZINC000771555549	681059507	/nfs/dbraw/zinc/05/95/07/681059507.db2.gz	HUGHVEIAHPYCQR-GFCCVEGCSA-N	-1	3	359.879	2.264	20	30		FEEDHM
Cc1nc(Cl)cc(NN=C2C(=O)[N-]c3c2cc([N+](=O)[O-])cc3F)n1	ZINC000774386628	681182542	/nfs/dbraw/zinc/18/25/42/681182542.db2.gz	FKOBIBBAAHHGLA-UHFFFAOYSA-N	-1	3	350.697	2.254	20	30		FEEDHM
C=C[C@@H](C)O[N-]C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1	ZINC000846542998	681257411	/nfs/dbraw/zinc/25/74/11/681257411.db2.gz	FETFJUMEUNGHPK-DGCLKSJQSA-N	-1	3	358.485	2.080	20	30		FEEDHM
O=C(N[C@@H]1CCCN([O-])C1=O)c1cc2c(ccc(F)c2Br)[nH]1	ZINC000848131490	681477485	/nfs/dbraw/zinc/47/74/85/681477485.db2.gz	HKNVZDACWMAHRO-SNVBAGLBSA-N	-1	3	370.178	2.180	20	30		FEEDHM
O=C(N[C@@H]1CCCN([O-])C1=O)c1cc2c(Br)cccc2cn1	ZINC000848131383	681477512	/nfs/dbraw/zinc/47/75/12/681477512.db2.gz	DZPFLNZPMANQAG-GFCCVEGCSA-N	-1	3	364.199	2.107	20	30		FEEDHM
O=C(N[C@H]1CCCN([O-])C1=O)c1cc(Cl)c(F)cc1Br	ZINC000848131499	681477644	/nfs/dbraw/zinc/47/76/44/681477644.db2.gz	HPQFYYDSJMHYPP-JTQLQIEISA-N	-1	3	365.586	2.352	20	30		FEEDHM
CCCCOc1ccc(C(=O)N[C@@H]2CCCN([O-])C2=O)cc1OCC	ZINC000848138525	681478575	/nfs/dbraw/zinc/47/85/75/681478575.db2.gz	QZMNCCGOSBHYML-CQSZACIVSA-N	-1	3	350.415	2.374	20	30		FEEDHM
O=C(CCc1nc2cc(Cl)ccc2s1)N[C@H]1CCCN([O-])C1=O	ZINC000848137490	681478650	/nfs/dbraw/zinc/47/86/50/681478650.db2.gz	BKUDBDPJIRBQFI-JTQLQIEISA-N	-1	3	353.831	2.379	20	30		FEEDHM
O=C(CCCc1ccccc1Br)N[C@H]1CCCN([O-])C1=O	ZINC000848136522	681478692	/nfs/dbraw/zinc/47/86/92/681478692.db2.gz	OACYEUQNQDRMNO-ZDUSSCGKSA-N	-1	3	355.232	2.268	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H](C)[C@H](F)C2)ccc1F	ZINC000778472745	681615483	/nfs/dbraw/zinc/61/54/83/681615483.db2.gz	XOUKBZHRWMHFHY-SMDDNHRTSA-N	-1	3	358.410	2.110	20	30		FEEDHM
N#Cc1ccc(CNC(=O)NCc2ccc([O-])c(Br)c2)nc1	ZINC000780545358	681841259	/nfs/dbraw/zinc/84/12/59/681841259.db2.gz	NKIVBTOKQROQSR-UHFFFAOYSA-N	-1	3	361.199	2.421	20	30		FEEDHM
N#Cc1cc(CS(=O)(=O)[N-]CC(=O)C2CCC(F)(F)CC2)cs1	ZINC000916478468	685524803	/nfs/dbraw/zinc/52/48/03/685524803.db2.gz	KALXWFLTXZBYSU-UHFFFAOYSA-N	-1	3	362.423	2.434	20	30		FEEDHM
C[C@H](O)[C@H]([N-]S(=O)(=O)Cc1csc(C#N)c1)c1ccccc1F	ZINC000916674883	685526938	/nfs/dbraw/zinc/52/69/38/685526938.db2.gz	RDWZHHHPHWRIIQ-BONVTDFDSA-N	-1	3	354.428	2.300	20	30		FEEDHM
COC(=O)[C@@]1([N-]S(=O)(=O)Cc2csc(C#N)c2)CC[C@@H](C)CC1	ZINC000917258600	685530909	/nfs/dbraw/zinc/53/09/09/685530909.db2.gz	WEQYNEZDNQUUDQ-FUKZOUPISA-N	-1	3	356.469	2.161	20	30		FEEDHM
C=C(Cl)COC(=O)C1([N-]S(=O)(=O)c2c(C)noc2C)CCCC1	ZINC000786296740	682366634	/nfs/dbraw/zinc/36/66/34/682366634.db2.gz	SZDZZRDPTYFQBU-UHFFFAOYSA-N	-1	3	362.835	2.178	20	30		FEEDHM
C=CCCN(C)C(=O)[C@H](CCCC)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000787359116	682453215	/nfs/dbraw/zinc/45/32/15/682453215.db2.gz	BAXATJYEBNNJOK-HNNXBMFYSA-N	-1	3	363.483	2.318	20	30		FEEDHM
C=CCCO[N-]C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1	ZINC000856029736	682735868	/nfs/dbraw/zinc/73/58/68/682735868.db2.gz	AWNSMYIUNQCISC-CYBMUJFWSA-N	-1	3	358.485	2.081	20	30		FEEDHM
CC(=N[N-]S(=O)(=O)Cc1ccccc1)C1CN(C(=O)OC(C)(C)C)C1	ZINC000794498320	682973431	/nfs/dbraw/zinc/97/34/31/682973431.db2.gz	UHTSSEJUJCNOEA-UHFFFAOYSA-N	-1	3	367.471	2.349	20	30		FEEDHM
C#CCC[C@H](O)C[N-]S(=O)(=O)c1cc(Cl)ccc1Br	ZINC000798486435	683358310	/nfs/dbraw/zinc/35/83/10/683358310.db2.gz	RMIYRWNAYRXRBO-JTQLQIEISA-N	-1	3	366.664	2.155	20	30		FEEDHM
C=CCCC[C@H]([N-]S(=O)(=O)Cc1ccc(CC#N)cc1)C(=O)OC	ZINC000921383588	683448812	/nfs/dbraw/zinc/44/88/12/683448812.db2.gz	ZATCJEOUQITUHS-INIZCTEOSA-N	-1	3	350.440	2.070	20	30		FEEDHM
C=CC[C@@H]1CCN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)C1	ZINC000862543183	683599975	/nfs/dbraw/zinc/59/99/75/683599975.db2.gz	DVIVAECIQXAYED-GFCCVEGCSA-N	-1	3	352.431	2.305	20	30		FEEDHM
C=C(Cl)C[C@@H]([N-]S(=O)(=O)CCCC1CCOCC1)C(=O)OCC	ZINC000867590416	684323950	/nfs/dbraw/zinc/32/39/50/684323950.db2.gz	ZSTWHSSGUMZZGO-CQSZACIVSA-N	-1	3	367.895	2.187	20	30		FEEDHM
C=C(Cl)C[C@@H]([N-]S(=O)(=O)c1cccnc1Cl)C(=O)OCC	ZINC000867592224	684324310	/nfs/dbraw/zinc/32/43/10/684324310.db2.gz	VHGBOYDQXKWYAT-SECBINFHSA-N	-1	3	353.227	2.088	20	30		FEEDHM
C=C(Cl)C[C@H]([N-]S(=O)(=O)c1sccc1OC)C(=O)OCC	ZINC000867592302	684324445	/nfs/dbraw/zinc/32/44/45/684324445.db2.gz	XYHQRRKSKSXONI-VIFPVBQESA-N	-1	3	353.849	2.109	20	30		FEEDHM
CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NCC(C)(C)F	ZINC000869629052	684637039	/nfs/dbraw/zinc/63/70/39/684637039.db2.gz	WJLXLAFZMLFUGO-ZDUSSCGKSA-N	-1	3	369.462	2.004	20	30		FEEDHM
COc1cccc(Br)c1CS(=O)(=O)[N-][C@H](C#N)C(C)C	ZINC000872003352	684911166	/nfs/dbraw/zinc/91/11/66/684911166.db2.gz	NDIAILKBDMQTGA-GFCCVEGCSA-N	-1	3	361.261	2.425	20	30		FEEDHM
C=CCC1([N-]S(=O)(=O)c2cccc(Br)n2)CCOCC1	ZINC000872504207	684967580	/nfs/dbraw/zinc/96/75/80/684967580.db2.gz	AZTYXJWMHQZACE-UHFFFAOYSA-N	-1	3	361.261	2.248	20	30		FEEDHM
O=c1[nH]c(=O)n(C2CC2)cc1CN=Cc1cc(Br)ccc1[O-]	ZINC000887270157	688396843	/nfs/dbraw/zinc/39/68/43/688396843.db2.gz	ISSVMOLJLWYZPL-UBKPWBPPSA-N	-1	3	364.199	2.371	20	30		FEEDHM
COC(=O)c1cc2nc(NC(=O)C#CC3CC3)[n-]c2c(Br)c1	ZINC000891093715	689013153	/nfs/dbraw/zinc/01/31/53/689013153.db2.gz	RBPUGDZPPXQHOL-UHFFFAOYSA-N	-1	3	362.183	2.464	20	30		FEEDHM
CC(=O)N(c1nc(CN[C@H]2CCCN([O-])C2=O)cs1)c1ccccc1	ZINC000895157419	689668726	/nfs/dbraw/zinc/66/87/26/689668726.db2.gz	QCGKDRUFZJEKRR-HNNXBMFYSA-N	-1	3	360.439	2.298	20	30		FEEDHM
C=CCN(Cc1cccs1)C(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1	ZINC000898819002	690254671	/nfs/dbraw/zinc/25/46/71/690254671.db2.gz	ZWBOFEUPOMHSSZ-ZDUSSCGKSA-N	-1	3	359.455	2.220	20	30		FEEDHM
CCCCN([O-])C(=O)Cn1cnc2ccc(Br)cc2c1=O	ZINC000904208992	691013184	/nfs/dbraw/zinc/01/31/84/691013184.db2.gz	PFPQMFRUWBPQOD-UHFFFAOYSA-N	-1	3	354.204	2.177	20	30		FEEDHM
C#C[C@H](NC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1)[C@@H]1CCCO1	ZINC000907485467	691499067	/nfs/dbraw/zinc/49/90/67/691499067.db2.gz	GDDSOCZTDPRDPZ-QWRGUYRKSA-N	-1	3	351.428	2.401	20	30		FEEDHM
C=C(Cl)C[C@H](NC(=O)NC[C@@H](C)N(C)Cc1ccccc1)C(=O)[O-]	ZINC000908990775	691763038	/nfs/dbraw/zinc/76/30/38/691763038.db2.gz	UJBSAMKWDLUGEJ-HIFRSBDPSA-N	-1	3	353.850	2.402	20	30		FEEDHM
C#CCN(C)CCCNC(=O)N[C@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1	ZINC000909037282	939372263	/nfs/dbraw/zinc/37/22/63/939372263.db2.gz	GKFPVHPJTMSBAO-AWEZNQCLSA-N	-1	3	371.359	2.085	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccccc1-n1cncn1	ZINC000044647477	540135049	/nfs/dbraw/zinc/13/50/49/540135049.db2.gz	WYJSMRSAVPNYCD-UHFFFAOYSA-N	-1	3	362.393	2.015	20	30		FEEDHM
C[C@H](NC(=O)CC[N-]S(=O)(=O)c1cccs1)c1ccc(C#N)cc1	ZINC000045217811	540207351	/nfs/dbraw/zinc/20/73/51/540207351.db2.gz	YSEKILUACVPUGF-LBPRGKRZSA-N	-1	3	363.464	2.166	20	30		FEEDHM
CCOc1ccc(C#N)cc1[N-]C(=O)c1ccc(S(=O)(=O)N(C)C)o1	ZINC000056478483	540729329	/nfs/dbraw/zinc/72/93/29/540729329.db2.gz	UDZYPGUPDPPXME-UHFFFAOYSA-N	-1	3	363.395	2.053	20	30		FEEDHM
O=C(CCNS(=O)(=O)c1ccccc1)Nc1nnc(-c2ccco2)[n-]1	ZINC000073973128	542021496	/nfs/dbraw/zinc/02/14/96/542021496.db2.gz	HJEKZVTUIUQNLM-UHFFFAOYSA-N	-1	3	361.383	2.021	20	30		FEEDHM
O=C(CCNS(=O)(=O)c1ccccc1)Nc1nc(-c2ccco2)n[n-]1	ZINC000073973128	542021499	/nfs/dbraw/zinc/02/14/99/542021499.db2.gz	HJEKZVTUIUQNLM-UHFFFAOYSA-N	-1	3	361.383	2.021	20	30		FEEDHM
O=C(CCNS(=O)(=O)c1ccccc1)Nc1n[n-]c(-c2ccco2)n1	ZINC000073973128	542021505	/nfs/dbraw/zinc/02/15/05/542021505.db2.gz	HJEKZVTUIUQNLM-UHFFFAOYSA-N	-1	3	361.383	2.021	20	30		FEEDHM
COc1ccccc1-c1nc(NC(=O)CNC(=O)c2ccccc2)n[n-]1	ZINC000078429712	542461647	/nfs/dbraw/zinc/46/16/47/542461647.db2.gz	ZHWNBZGFEJLUFJ-UHFFFAOYSA-N	-1	3	351.366	2.498	20	30		FEEDHM
COC(=O)CN(CC#N)C(=O)c1cc(CCc2ccccc2)ccc1[O-]	ZINC000094159824	542954635	/nfs/dbraw/zinc/95/46/35/542954635.db2.gz	SKQGWWVOEVOCAM-UHFFFAOYSA-N	-1	3	352.390	2.316	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1ccc(C#N)cc1F	ZINC000105587950	543177183	/nfs/dbraw/zinc/17/71/83/543177183.db2.gz	DZAKDJFOOVIQLZ-UHFFFAOYSA-N	-1	3	352.369	2.123	20	30		FEEDHM
N#Cc1ccc(OC[C@H](O)CSc2n[n-]c(-c3ccccn3)n2)cc1	ZINC000117114588	543623024	/nfs/dbraw/zinc/62/30/24/543623024.db2.gz	BKPQCHWUFLYUIU-ZDUSSCGKSA-N	-1	3	353.407	2.270	20	30		FEEDHM
N#Cc1ccc(OC[C@@H](O)CSc2n[n-]c(-c3ccccn3)n2)cc1	ZINC000117114585	543623368	/nfs/dbraw/zinc/62/33/68/543623368.db2.gz	BKPQCHWUFLYUIU-CYBMUJFWSA-N	-1	3	353.407	2.270	20	30		FEEDHM
C=CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1	ZINC000123066865	543740699	/nfs/dbraw/zinc/74/06/99/543740699.db2.gz	XNTHVYAKKIHQBX-AWEZNQCLSA-N	-1	3	372.512	2.425	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C	ZINC000124470278	543824230	/nfs/dbraw/zinc/82/42/30/543824230.db2.gz	WYXQNCRNIWTPLB-OLMNPRSZSA-N	-1	3	357.454	2.068	20	30		FEEDHM
CC(C)(C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)N1CCCCC1	ZINC000124214243	543807467	/nfs/dbraw/zinc/80/74/67/543807467.db2.gz	UQSVLEOQBKEURX-UHFFFAOYSA-N	-1	3	357.426	2.379	20	30		FEEDHM
C=CCN(C)C(=O)c1cc(C(C)C)nc2c1c(=O)[n-]c(=O)n2CC(C)C	ZINC000154213874	544877273	/nfs/dbraw/zinc/87/72/73/544877273.db2.gz	INFGMXVURSXCJH-UHFFFAOYSA-N	-1	3	358.442	2.122	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)OCC2CCC(=O)CC2)ccc1F	ZINC000803273810	674233091	/nfs/dbraw/zinc/23/30/91/674233091.db2.gz	WZVFWHKCICPMFD-UHFFFAOYSA-N	-1	3	369.414	2.206	20	30		FEEDHM
N#Cc1ccc(OCC[N-]S(=O)(=O)c2cccnc2C(F)(F)F)cc1	ZINC000553843423	674288712	/nfs/dbraw/zinc/28/87/12/674288712.db2.gz	NJVCUILSKBVMBV-UHFFFAOYSA-N	-1	3	371.340	2.329	20	30		FEEDHM
CCO[C@H]1C[C@](O)(C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)C1(C)C	ZINC000188483535	328090004	/nfs/dbraw/zinc/09/00/04/328090004.db2.gz	WEEPZNQJOPRIMG-HOCLYGCPSA-N	-1	3	372.874	2.056	20	30		FEEDHM
N#Cc1ccc(CN2CCCN(C(=O)c3ccc(C#N)c([O-])c3)CC2)cc1	ZINC000189975306	328180209	/nfs/dbraw/zinc/18/02/09/328180209.db2.gz	HNFFGOSDPWQIBW-UHFFFAOYSA-N	-1	3	360.417	2.484	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@]1(CO)CC(C)C	ZINC000191511973	328269078	/nfs/dbraw/zinc/26/90/78/328269078.db2.gz	QMVNZDSREVNEHG-HXUWFJFHSA-N	-1	3	359.470	2.196	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)c1ccc2c(c1)OCO2	ZINC000014484016	324378637	/nfs/dbraw/zinc/37/86/37/324378637.db2.gz	ZGJVWDGZOBTPCK-GFCCVEGCSA-N	-1	3	367.405	2.402	20	30		FEEDHM
COC(=O)Cc1ccccc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C	ZINC000080058254	325116398	/nfs/dbraw/zinc/11/63/98/325116398.db2.gz	XTQKZAQDIBUSAV-UHFFFAOYSA-N	-1	3	367.405	2.150	20	30		FEEDHM
CC[C@H](C)[C@@H](O)C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000119433656	326161647	/nfs/dbraw/zinc/16/16/47/326161647.db2.gz	SFEOTGSACGPCKB-CABZTGNLSA-N	-1	3	350.362	2.262	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2	ZINC000121817615	326369890	/nfs/dbraw/zinc/36/98/90/326369890.db2.gz	KCGUYUYFEMJRPW-LZQZEXGQSA-N	-1	3	369.465	2.260	20	30		FEEDHM
COc1ccccc1O[C@H](C)C[N-]S(=O)(=O)c1ccc(F)cc1C#N	ZINC000122953776	326415219	/nfs/dbraw/zinc/41/52/19/326415219.db2.gz	AJXLFBDFYCXDSU-GFCCVEGCSA-N	-1	3	364.398	2.452	20	30		FEEDHM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H](CCO)C1CCCCC1	ZINC000161980910	327013860	/nfs/dbraw/zinc/01/38/60/327013860.db2.gz	GNXDXAGHTUFHSL-AWEZNQCLSA-N	-1	3	367.427	2.076	20	30		FEEDHM
Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(S(C)(=O)=O)ccc1F	ZINC000172590016	327209934	/nfs/dbraw/zinc/20/99/34/327209934.db2.gz	GKYVAKQXABHOST-UHFFFAOYSA-N	-1	3	368.411	2.210	20	30		FEEDHM
COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C	ZINC000253586922	328799998	/nfs/dbraw/zinc/79/99/98/328799998.db2.gz	BWWBUAUSUWKTOV-SIIHOXLZSA-N	-1	3	371.437	2.008	20	30		FEEDHM
CO[C@@H](C)c1nc(C[N-]S(=O)(=O)c2ccc(F)c(C#N)c2)cs1	ZINC000267648873	329346706	/nfs/dbraw/zinc/34/67/06/329346706.db2.gz	UCSADWKGMFGSAX-VIFPVBQESA-N	-1	3	355.416	2.340	20	30		FEEDHM
CCC[C@@](C)(O)C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000269820185	329551626	/nfs/dbraw/zinc/55/16/26/329551626.db2.gz	VWZZOHQQJDZHEF-CYBMUJFWSA-N	-1	3	350.362	2.406	20	30		FEEDHM
CC[C@H]([N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)[C@@H](O)C(F)(F)F	ZINC000270884532	329641579	/nfs/dbraw/zinc/64/15/79/329641579.db2.gz	WLYSWWZNCAJQBY-WDEREUQCSA-N	-1	3	356.753	2.192	20	30		FEEDHM
C=CC[C@@H](CO)C[N-]S(=O)(=O)c1cc(C)c(Br)cc1F	ZINC000416460112	559314497	/nfs/dbraw/zinc/31/44/97/559314497.db2.gz	USQCVFOZMDYWOD-SNVBAGLBSA-N	-1	3	366.252	2.360	20	30		FEEDHM
COc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCC#N)ccc2C)cc1	ZINC000478017427	561158191	/nfs/dbraw/zinc/15/81/91/561158191.db2.gz	QPULMUBLAOOGBQ-UHFFFAOYSA-N	-1	3	359.407	2.058	20	30		FEEDHM
C[C@H](NC(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1)c1ccc(C#N)cc1	ZINC000478453254	561167300	/nfs/dbraw/zinc/16/73/00/561167300.db2.gz	OSIQSZCRFURANX-YUNKPMOVSA-N	-1	3	362.389	2.104	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(F)c(NC(N)=O)c1	ZINC000478513791	561168676	/nfs/dbraw/zinc/16/86/76/561168676.db2.gz	GPZAUBWFWUTIKY-UHFFFAOYSA-N	-1	3	371.372	2.477	20	30		FEEDHM
CC1(C)CCC[C@@](O)(C[N-]S(=O)(=O)Cc2ccc(C#N)cc2F)C1	ZINC000480687836	561214358	/nfs/dbraw/zinc/21/43/58/561214358.db2.gz	IJMQNTWVAQRKCK-KRWDZBQOSA-N	-1	3	354.447	2.448	20	30		FEEDHM
C=CCOC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)OC	ZINC000481563904	561236155	/nfs/dbraw/zinc/23/61/55/561236155.db2.gz	FHZXLKCDWRQCBC-GFCCVEGCSA-N	-1	3	368.238	2.016	20	30		FEEDHM
COCCOc1cc(C([O-])=C(C#N)c2nc3ccccc3n2C)ccn1	ZINC000179829809	547018926	/nfs/dbraw/zinc/01/89/26/547018926.db2.gz	CHPFVKAMTHDEJP-AWEZNQCLSA-N	-1	3	350.378	2.484	20	30		FEEDHM
CC(C)CC(=O)NCCc1ccc(S(=O)(=O)[N-][C@H](C)CC#N)s1	ZINC000180361615	547091851	/nfs/dbraw/zinc/09/18/51/547091851.db2.gz	UIZASFHGFBJTBB-GFCCVEGCSA-N	-1	3	357.501	2.033	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]Cc2nnc3n2CCCCC3)c(Cl)c1	ZINC000183416437	547653945	/nfs/dbraw/zinc/65/39/45/547653945.db2.gz	KYFCVHOMZKDJTE-UHFFFAOYSA-N	-1	3	365.846	2.008	20	30		FEEDHM
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000183424780	547656777	/nfs/dbraw/zinc/65/67/77/547656777.db2.gz	JANGWAJOYBIDQI-UHFFFAOYSA-N	-1	3	368.393	2.376	20	30		FEEDHM
N#CC(=C([O-])c1ccnc(O[C@H]2CCOC2)c1)c1nnc2n1CCCCC2	ZINC000183514186	547673310	/nfs/dbraw/zinc/67/33/10/547673310.db2.gz	RYAACLJTDQODOY-LSDHHAIUSA-N	-1	3	367.409	2.057	20	30		FEEDHM
C=CC[C@@H](CO)NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1	ZINC000185725738	548025235	/nfs/dbraw/zinc/02/52/35/548025235.db2.gz	XZNJNSYQPFZPET-HKUYNNGSSA-N	-1	3	368.433	2.307	20	30		FEEDHM
C=CCn1c(=O)c2ccc(C(=O)N(C)CCN(C)C3CC3)cc2[n-]c1=S	ZINC000186730801	548181441	/nfs/dbraw/zinc/18/14/41/548181441.db2.gz	JXGDEXHHEQBASN-UHFFFAOYSA-N	-1	3	372.494	2.037	20	30		FEEDHM
CCC(C)(C)N(CCC#N)C(=O)CCn1[n-]c(=O)c2ccccc2c1=O	ZINC000189935960	548314116	/nfs/dbraw/zinc/31/41/16/548314116.db2.gz	XSEBOZLPTYDSTQ-UHFFFAOYSA-N	-1	3	356.426	2.011	20	30		FEEDHM
Cc1ccc(C(=O)Nc2c(C)cccc2[O-])cc1S(=O)(=O)NCC#N	ZINC000490644910	561436577	/nfs/dbraw/zinc/43/65/77/561436577.db2.gz	MSMZNEGPDYZEDF-UHFFFAOYSA-N	-1	3	359.407	2.063	20	30		FEEDHM
Cc1nc(C2([N-]S(=O)(=O)c3ccc(F)c(C#N)c3)CCCC2)no1	ZINC000264102212	549978986	/nfs/dbraw/zinc/97/89/86/549978986.db2.gz	RQJQGKHKSQRLSI-UHFFFAOYSA-N	-1	3	350.375	2.137	20	30		FEEDHM
N#CCOc1ccc(CN2CCN(C(=O)c3ccccc3[O-])CC2)cc1	ZINC000266961836	550025643	/nfs/dbraw/zinc/02/56/43/550025643.db2.gz	WRXLLVUNHBXFJO-UHFFFAOYSA-N	-1	3	351.406	2.253	20	30		FEEDHM
COc1cc(OC)cc(N2CC[C@H](/N=C/c3ccc(O)c([O-])c3O)C2=O)c1	ZINC000267107248	550027844	/nfs/dbraw/zinc/02/78/44/550027844.db2.gz	QJIWKLOFXFPYEY-VYXQJKENSA-N	-1	3	372.377	2.045	20	30		FEEDHM
C=CCCS(=O)(=O)[N-][C@@H](C(=O)OC)c1ccc(Br)cc1	ZINC000268833352	550121436	/nfs/dbraw/zinc/12/14/36/550121436.db2.gz	FXLMCADSOLTKTA-GFCCVEGCSA-N	-1	3	362.245	2.159	20	30		FEEDHM
CCc1nc([C@H](C)[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)n[nH]1	ZINC000270597459	550287531	/nfs/dbraw/zinc/28/75/31/550287531.db2.gz	UXKCOPRPESIOGJ-QMMMGPOBSA-N	-1	3	373.360	2.297	20	30		FEEDHM
C[C@H](CO[N-]C(=O)Cc1ccc(OCC#N)cc1)NC(=O)OC(C)(C)C	ZINC000270963576	550325849	/nfs/dbraw/zinc/32/58/49/550325849.db2.gz	RJRZDXMJXPRDNQ-CYBMUJFWSA-N	-1	3	363.414	2.092	20	30		FEEDHM
Cc1ncc(CO)c(/C=N/[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1[O-]	ZINC000272375163	550442174	/nfs/dbraw/zinc/44/21/74/550442174.db2.gz	HXVKXDYMGDZAAM-TYLRVVQJSA-N	-1	3	364.405	2.074	20	30		FEEDHM
N#Cc1ccc(N2CCC[C@@H]([N-]S(=O)(=O)c3cccs3)C2=O)cc1	ZINC000272394034	550443679	/nfs/dbraw/zinc/44/36/79/550443679.db2.gz	IVXNFLREZZZHRO-CQSZACIVSA-N	-1	3	361.448	2.094	20	30		FEEDHM
COc1cc(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)ccc1[O-]	ZINC000272579488	550458978	/nfs/dbraw/zinc/45/89/78/550458978.db2.gz	FEQDPPMOYPONDH-KRWDZBQOSA-N	-1	3	351.406	2.251	20	30		FEEDHM
C[C@]1(c2ccc(-c3noc(C4(C#N)CCCC4)n3)cc2)NC(=O)[N-]C1=O	ZINC000273849196	550513567	/nfs/dbraw/zinc/51/35/67/550513567.db2.gz	YBGJKIZZJVMILT-QGZVFWFLSA-N	-1	3	351.366	2.127	20	30		FEEDHM
N#Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2cn3c(n2)CCCC3)c1	ZINC000274647115	550547634	/nfs/dbraw/zinc/54/76/34/550547634.db2.gz	GNKXOBZUHMFQED-UHFFFAOYSA-N	-1	3	350.831	2.223	20	30		FEEDHM
CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N(CCC#N)CC1CC1	ZINC000276015071	550575962	/nfs/dbraw/zinc/57/59/62/550575962.db2.gz	ONNBIYTZIFSMLA-UHFFFAOYSA-N	-1	3	363.439	2.324	20	30		FEEDHM
CC[C@@H]([N-]S(=O)(=O)c1cccnc1C#N)c1ccc2c(c1)OCCO2	ZINC000276968079	550616671	/nfs/dbraw/zinc/61/66/71/550616671.db2.gz	FIADCSUMLYCNHH-CYBMUJFWSA-N	-1	3	359.407	2.154	20	30		FEEDHM
COC(=O)c1sc(S(=O)(=O)[N-]CCCCC#N)c(C)c1Cl	ZINC000278594306	550802523	/nfs/dbraw/zinc/80/25/23/550802523.db2.gz	ATNVSSQZHXXYRN-UHFFFAOYSA-N	-1	3	350.849	2.469	20	30		FEEDHM
CCC[C@H](CNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C(=O)OCC	ZINC000279051205	550850820	/nfs/dbraw/zinc/85/08/20/550850820.db2.gz	AWCRTHMJOUBGNX-CQSZACIVSA-N	-1	3	361.442	2.304	20	30		FEEDHM
COc1ccc(CN2CCC(C[N-]C(=O)C(F)(F)F)CC2)cc1C#N	ZINC000281349693	551087461	/nfs/dbraw/zinc/08/74/61/551087461.db2.gz	UCCYANBTHVFYMI-UHFFFAOYSA-N	-1	3	355.360	2.457	20	30		FEEDHM
N#CC(=C([O-])c1cc2c(c([N+](=O)[O-])c1)OCO2)c1nnc2n1CCCCC2	ZINC000496567469	561494581	/nfs/dbraw/zinc/49/45/81/561494581.db2.gz	DJKLOJJZAKYFDJ-NSHDSACASA-N	-1	3	369.337	2.131	20	30		FEEDHM
N#CC(=C([O-])c1cc2c(c([N+](=O)[O-])c1)OCO2)c1nnc2n1CCCCC2	ZINC000496567468	561494671	/nfs/dbraw/zinc/49/46/71/561494671.db2.gz	DJKLOJJZAKYFDJ-LLVKDONJSA-N	-1	3	369.337	2.131	20	30		FEEDHM
COCCc1ccnc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1	ZINC000286352968	551877807	/nfs/dbraw/zinc/87/78/07/551877807.db2.gz	RHYALKNWXWDYJY-UHFFFAOYSA-N	-1	3	354.410	2.431	20	30		FEEDHM
O=c1nc([C@@H]2CCCN(CC#Cc3ccc(OC(F)(F)F)cc3)C2)[nH][n-]1	ZINC000289458438	552324703	/nfs/dbraw/zinc/32/47/03/552324703.db2.gz	PVGCTHCWNAKWBX-CYBMUJFWSA-N	-1	3	366.343	2.228	20	30		FEEDHM
CC(C)c1nnc(C[N-]S(=O)(=O)Cc2cc(C#N)ccc2F)s1	ZINC000501010922	561587638	/nfs/dbraw/zinc/58/76/38/561587638.db2.gz	NTVDAGWDACJEII-UHFFFAOYSA-N	-1	3	354.432	2.292	20	30		FEEDHM
Cc1ccc([N-]S(=O)(=O)c2cncc(C#N)c2)c(OCCN(C)C)c1	ZINC000290937272	552565118	/nfs/dbraw/zinc/56/51/18/552565118.db2.gz	KTKPCLARPQVIIP-UHFFFAOYSA-N	-1	3	360.439	2.003	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(Br)ccc1OCCOCC	ZINC000501152359	561591393	/nfs/dbraw/zinc/59/13/93/561591393.db2.gz	XTDSLJNLNYJVKF-UHFFFAOYSA-N	-1	3	364.261	2.329	20	30		FEEDHM
CC(C)(CO)[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)c1cccnc1	ZINC000293009392	552779948	/nfs/dbraw/zinc/77/99/48/552779948.db2.gz	HHWHWERRJSBHLP-MRXNPFEDSA-N	-1	3	363.414	2.130	20	30		FEEDHM
CC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C(C)(C)O	ZINC000293936015	552869328	/nfs/dbraw/zinc/86/93/28/552869328.db2.gz	ZFNYVNLNRDZMHO-GFCCVEGCSA-N	-1	3	350.362	2.405	20	30		FEEDHM
Cc1nc(C2([N-]S(=O)(=O)Cc3ccc(F)cc3C#N)CCCC2)no1	ZINC000294342213	552898362	/nfs/dbraw/zinc/89/83/62/552898362.db2.gz	JVAZWFDFGVTZQF-UHFFFAOYSA-N	-1	3	364.402	2.278	20	30		FEEDHM
C[C@@H](CCCO)C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000295301941	552984162	/nfs/dbraw/zinc/98/41/62/552984162.db2.gz	OFFGVNLOXSWUJU-JTQLQIEISA-N	-1	3	350.362	2.264	20	30		FEEDHM
C=CCOc1ccc(CNC(=O)NCc2nnc(C(F)(F)F)[n-]2)cc1	ZINC000502121685	561612352	/nfs/dbraw/zinc/61/23/52/561612352.db2.gz	UQUVMHAYLJIAES-UHFFFAOYSA-N	-1	3	355.320	2.388	20	30		FEEDHM
C=CCOc1ccc(CNC(=O)NCc2n[n-]c(C(F)(F)F)n2)cc1	ZINC000502121685	561612353	/nfs/dbraw/zinc/61/23/53/561612353.db2.gz	UQUVMHAYLJIAES-UHFFFAOYSA-N	-1	3	355.320	2.388	20	30		FEEDHM
C=CCOc1ccc(CNC(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1	ZINC000502121685	561612354	/nfs/dbraw/zinc/61/23/54/561612354.db2.gz	UQUVMHAYLJIAES-UHFFFAOYSA-N	-1	3	355.320	2.388	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)NCCCC(C)(F)F)ccc1F	ZINC000295870131	553070069	/nfs/dbraw/zinc/07/00/69/553070069.db2.gz	XPLKPBRKHHYKFV-UHFFFAOYSA-N	-1	3	364.389	2.455	20	30		FEEDHM
CC1(C)C[C@@]1(C#N)[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1	ZINC000295999825	553087001	/nfs/dbraw/zinc/08/70/01/553087001.db2.gz	PSUJLVCLAJBFDS-NSHDSACASA-N	-1	3	364.652	2.468	20	30		FEEDHM
CN(CCc1ccccc1)[C@H]1CCN(C(=O)N=c2[n-]n(C)cc2C#N)C1	ZINC000602885479	553659452	/nfs/dbraw/zinc/65/94/52/553659452.db2.gz	FKDDYNLYLKAZIN-KRWDZBQOSA-N	-1	3	352.442	2.072	20	30		FEEDHM
C=CCC[C@@H](CO)[N-]S(=O)(=O)c1ccc(Br)c(F)c1	ZINC000316214842	553760853	/nfs/dbraw/zinc/76/08/53/553760853.db2.gz	ZUHSECYXAXQYMZ-VIFPVBQESA-N	-1	3	352.225	2.194	20	30		FEEDHM
O=C(NC1CCC(C(=O)N2CCSCC2)CC1)c1csc(=O)[n-]1	ZINC000329930500	554034242	/nfs/dbraw/zinc/03/42/42/554034242.db2.gz	ZRQRINRFSXVNBF-UHFFFAOYSA-N	-1	3	355.485	2.288	20	30		FEEDHM
N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@H]1CCCC[C@H]1CO	ZINC000330670816	554155086	/nfs/dbraw/zinc/15/50/86/554155086.db2.gz	BYNFKJCIVOXLDS-GWCFXTLKSA-N	-1	3	373.272	2.150	20	30		FEEDHM
CN(C)C(=O)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)C1	ZINC000330767863	554168969	/nfs/dbraw/zinc/16/89/69/554168969.db2.gz	XGSJHANVLRQYMJ-CHWSQXEVSA-N	-1	3	369.874	2.137	20	30		FEEDHM
Cc1cnc(C(=O)NCC2CCN(CC(=O)NC(C)(C)C)CC2)c([O-])c1	ZINC000331204515	554230606	/nfs/dbraw/zinc/23/06/06/554230606.db2.gz	OIVHBMFUCSMBPI-UHFFFAOYSA-N	-1	3	362.474	2.027	20	30		FEEDHM
CCN(C[C@@H](C)C#N)C(=O)c1cc(C(C)C)nc2c1c(=O)[n-]c(=O)n2CC	ZINC000509722047	561811748	/nfs/dbraw/zinc/81/17/48/561811748.db2.gz	OSOPSLPEDCPNTK-LBPRGKRZSA-N	-1	3	371.441	2.262	20	30		FEEDHM
C[C@@H]1CCC[C@@](C#N)([N-]S(=O)(=O)c2cc3oc(=O)[nH]c3cc2F)C1	ZINC000332645256	554489924	/nfs/dbraw/zinc/48/99/24/554489924.db2.gz	HANHJUYGDMRONE-RFAUZJTJSA-N	-1	3	353.375	2.011	20	30		FEEDHM
COc1cccc(C(F)(F)C[N-]S(=O)(=O)c2ccc(F)c(C#N)c2)n1	ZINC000511396478	561867743	/nfs/dbraw/zinc/86/77/43/561867743.db2.gz	VFAKKSKIRPTZQQ-UHFFFAOYSA-N	-1	3	371.340	2.171	20	30		FEEDHM
C=CCNC(=O)Nc1ccc(NC(=O)c2cnc3c(cnn3C)c2[O-])cc1	ZINC000511965982	561887222	/nfs/dbraw/zinc/88/72/22/561887222.db2.gz	VKJPIEJQTXXJSL-UHFFFAOYSA-N	-1	3	366.381	2.234	20	30		FEEDHM
CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)[C@]12CCCO2	ZINC000363975214	555225621	/nfs/dbraw/zinc/22/56/21/555225621.db2.gz	PGPDXGXMYORNSZ-ARFHVFGLSA-N	-1	3	370.858	2.217	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)c1ccnn1C)c1nc(-c2ccc(C#N)cc2)cs1	ZINC000364022605	555235217	/nfs/dbraw/zinc/23/52/17/555235217.db2.gz	KZMRTFSIHLQHQN-LLVKDONJSA-N	-1	3	373.463	2.455	20	30		FEEDHM
N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)NCc2ccc([O-])c(F)c2)c1	ZINC000365126072	555490880	/nfs/dbraw/zinc/49/08/80/555490880.db2.gz	POCMMWRABQBOIF-QGZVFWFLSA-N	-1	3	367.380	2.210	20	30		FEEDHM
CCc1cc(C(=O)N2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)ccc1[O-]	ZINC000365888182	555693021	/nfs/dbraw/zinc/69/30/21/555693021.db2.gz	KRYPMACPPFMQSX-YCRPNKLZSA-N	-1	3	361.401	2.440	20	30		FEEDHM
CCOc1ccc(NC(=O)C[N-]S(=O)(=O)Cc2ccc(C#N)cc2)cc1	ZINC000515247564	562002417	/nfs/dbraw/zinc/00/24/17/562002417.db2.gz	MTDDVPVYYFOCOP-UHFFFAOYSA-N	-1	3	373.434	2.015	20	30		FEEDHM
COc1cc(Br)cc(CN2CCN(C3CC3)[C@H](C#N)C2)c1[O-]	ZINC000371328532	557148282	/nfs/dbraw/zinc/14/82/82/557148282.db2.gz	WLOMUPICTKCVKJ-CQSZACIVSA-N	-1	3	366.259	2.335	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)c1ccccc1S(C)(=O)=O)c1ccc(C#N)cc1	ZINC000517999956	562102229	/nfs/dbraw/zinc/10/22/29/562102229.db2.gz	BTKWFQHVDHRIPZ-LBPRGKRZSA-N	-1	3	364.448	2.001	20	30		FEEDHM
N#Cc1ccc(NC2CCN(C(=O)Cc3ccc([O-])cc3Cl)CC2)nc1	ZINC000372113244	557383142	/nfs/dbraw/zinc/38/31/42/557383142.db2.gz	PDSSFDWZSXIHDR-UHFFFAOYSA-N	-1	3	370.840	2.958	20	30		FEEDHM
CC#CCCNC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1	ZINC000519232023	562127751	/nfs/dbraw/zinc/12/77/51/562127751.db2.gz	LVCIPLTTZICUMR-UHFFFAOYSA-N	-1	3	355.435	2.437	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC(O)(c2ccc(F)cc2)C1	ZINC000373373286	557681778	/nfs/dbraw/zinc/68/17/78/557681778.db2.gz	OTLSADFGVOAPBF-UHFFFAOYSA-N	-1	3	369.396	2.077	20	30		FEEDHM
N#Cc1ncccc1NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl	ZINC000520674783	562161307	/nfs/dbraw/zinc/16/13/07/562161307.db2.gz	HHLFASSNNRJDRT-UHFFFAOYSA-N	-1	3	354.794	2.136	20	30		FEEDHM
CCN(C[C@@H](C)C#N)S(=O)(=O)[N-]Cc1nnc(-c2ccccc2)s1	ZINC000374459633	557886915	/nfs/dbraw/zinc/88/69/15/557886915.db2.gz	CPHNNPPLKDOZFS-LBPRGKRZSA-N	-1	3	365.484	2.021	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]Cc2cccc(-n3cncn3)c2)c(Cl)c1	ZINC000374847459	557940108	/nfs/dbraw/zinc/94/01/08/557940108.db2.gz	RVPGGJUSRUGHRM-UHFFFAOYSA-N	-1	3	373.825	2.271	20	30		FEEDHM
Cc1cn2c(n1)CC[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C2	ZINC000375370672	558016821	/nfs/dbraw/zinc/01/68/21/558016821.db2.gz	QQAKSPYFJPNHLH-LBPRGKRZSA-N	-1	3	350.831	2.010	20	30		FEEDHM
C#CCCCS(=O)(=O)[N-][C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O	ZINC000376268224	558150004	/nfs/dbraw/zinc/15/00/04/558150004.db2.gz	YXUKPTGFDZYDNR-CQSZACIVSA-N	-1	3	374.384	2.144	20	30		FEEDHM
C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2ccc(C#N)o2)CN1Cc1ccccc1	ZINC000376318749	558157262	/nfs/dbraw/zinc/15/72/62/558157262.db2.gz	BERRJIZSPOIIHS-GDBMZVCRSA-N	-1	3	359.451	2.340	20	30		FEEDHM
CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCC#N)c2)cc1	ZINC000522205176	562194159	/nfs/dbraw/zinc/19/41/59/562194159.db2.gz	ZLQITNYKZUVMCR-UHFFFAOYSA-N	-1	3	373.434	2.448	20	30		FEEDHM
N#Cc1ccc(CS(=O)(=O)[N-]Cc2noc(-c3cccc(F)c3)n2)cc1	ZINC000377334878	558318558	/nfs/dbraw/zinc/31/85/58/558318558.db2.gz	MYMUVCNTXBZWTD-UHFFFAOYSA-N	-1	3	372.381	2.367	20	30		FEEDHM
CC(C)(C#N)CCS(=O)(=O)[N-][C@H]1CCN(c2ccccc2Cl)C1=O	ZINC000377826375	558428012	/nfs/dbraw/zinc/42/80/12/558428012.db2.gz	LWBGDQSFQSEVFB-ZDUSSCGKSA-N	-1	3	369.874	2.305	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2COC3(CCCC3)O2)c(Cl)c1	ZINC000378608921	558593076	/nfs/dbraw/zinc/59/30/76/558593076.db2.gz	RCZXTCYHZGYEID-LBPRGKRZSA-N	-1	3	356.831	2.176	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]CC(=O)Nc2ccc(Cl)cc2)c(F)c1	ZINC000524149411	562224614	/nfs/dbraw/zinc/22/46/14/562224614.db2.gz	OYODHHTYCVYMCK-UHFFFAOYSA-N	-1	3	367.789	2.268	20	30		FEEDHM
C=CC[C@H](CC)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1	ZINC000410126445	558740339	/nfs/dbraw/zinc/74/03/39/558740339.db2.gz	ZRFHAMZKCRILBA-HNNXBMFYSA-N	-1	3	359.451	2.389	20	30		FEEDHM
CCN(CCC#N)S(=O)(=O)[N-][C@H](C)c1nc(C2CCCCC2)no1	ZINC000410145678	558741831	/nfs/dbraw/zinc/74/18/31/558741831.db2.gz	NSVNVLBPZDFURV-GFCCVEGCSA-N	-1	3	355.464	2.248	20	30		FEEDHM
Cc1c(C(=O)[N-]c2nnc(SCc3ccc(C#N)cc3)s2)nnn1C	ZINC000525003734	562239305	/nfs/dbraw/zinc/23/93/05/562239305.db2.gz	FMYQMHRDXBHNOI-UHFFFAOYSA-N	-1	3	371.451	2.391	20	30		FEEDHM
N#Cc1ccc(Br)cc1S(=O)(=O)[N-]CC1(O)CCCCC1	ZINC000416405001	559310555	/nfs/dbraw/zinc/31/05/55/559310555.db2.gz	RTXUAULLJJNWOP-UHFFFAOYSA-N	-1	3	373.272	2.294	20	30		FEEDHM
CO[C@H](C[N-]S(=O)(=O)c1cc(Br)ccc1C#N)C(C)C	ZINC000416415292	559311337	/nfs/dbraw/zinc/31/13/37/559311337.db2.gz	JUPNQPOCNBKXNN-GFCCVEGCSA-N	-1	3	361.261	2.270	20	30		FEEDHM
CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Br)ccc2C#N)C1	ZINC000416530816	559320045	/nfs/dbraw/zinc/32/00/45/559320045.db2.gz	SOKKCICVOIEKNS-TXEJJXNPSA-N	-1	3	359.245	2.167	20	30		FEEDHM
COC1([C@@H](C)[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)CCOCC1	ZINC000420768207	559503364	/nfs/dbraw/zinc/50/33/64/559503364.db2.gz	WCACDUHQKOALSD-LLVKDONJSA-N	-1	3	358.847	2.074	20	30		FEEDHM
C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C[N-]S(=O)(=O)c1cccs1	ZINC000425130607	559688242	/nfs/dbraw/zinc/68/82/42/559688242.db2.gz	NXXBAWQDOOPUTE-LBPRGKRZSA-N	-1	3	363.464	2.118	20	30		FEEDHM
C[C@H](C[N-]S(=O)(=O)c1cccnc1C#N)Oc1ccc(Cl)cc1	ZINC000428403444	559774882	/nfs/dbraw/zinc/77/48/82/559774882.db2.gz	OXTXAZALEWXMOK-LLVKDONJSA-N	-1	3	351.815	2.352	20	30		FEEDHM
C[C@@H](CC#N)NC(=O)Nc1ccc([N-]S(=O)(=O)Cc2ccccc2)cn1	ZINC000432824281	559865711	/nfs/dbraw/zinc/86/57/11/559865711.db2.gz	RRIQOBOKSZHLSZ-ZDUSSCGKSA-N	-1	3	373.438	2.447	20	30		FEEDHM
CCOC(=O)CC1([N-]S(=O)(=O)c2ccc(F)cc2C#N)CCCC1	ZINC000433468597	559882409	/nfs/dbraw/zinc/88/24/09/559882409.db2.gz	IZYXRYXGRFVRBB-UHFFFAOYSA-N	-1	3	354.403	2.242	20	30		FEEDHM
COc1cccc(O[C@@H](C)C[N-]S(=O)(=O)c2ccc(C#N)s2)c1	ZINC000435436851	559923020	/nfs/dbraw/zinc/92/30/20/559923020.db2.gz	HQAFCKDDKFXDDF-NSHDSACASA-N	-1	3	352.437	2.374	20	30		FEEDHM
COC(=O)[C@@H](C)[C@H]([N-]S(=O)(=O)c1ccc(C#N)s1)c1ccccc1	ZINC000435436081	559923140	/nfs/dbraw/zinc/92/31/40/559923140.db2.gz	DCABYIKIWYHIKD-NHYWBVRUSA-N	-1	3	364.448	2.448	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]C[C@]2(O)CCC[C@H](C(F)(F)F)C2)s1	ZINC000435441652	559923223	/nfs/dbraw/zinc/92/32/23/559923223.db2.gz	GVENSOYUCUXJII-CABZTGNLSA-N	-1	3	368.402	2.382	20	30		FEEDHM
Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)s2)cc1N1CC[NH+]=C1[O-]	ZINC000435472213	559923786	/nfs/dbraw/zinc/92/37/86/559923786.db2.gz	KFGZZSPQNNCPFP-UHFFFAOYSA-N	-1	3	362.436	2.259	20	30		FEEDHM
C=C(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cnccc1C(F)(F)F	ZINC000435594241	559925696	/nfs/dbraw/zinc/92/56/96/559925696.db2.gz	AHKUDFNYNWCZQJ-GXFFZTMASA-N	-1	3	350.362	2.360	20	30		FEEDHM
C=C(C)[C@@H](CC(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1)OCC	ZINC000436523233	559944359	/nfs/dbraw/zinc/94/43/59/559944359.db2.gz	RABGOFSVTVELMF-GOSISDBHSA-N	-1	3	360.454	2.484	20	30		FEEDHM
N#Cc1c(F)cccc1C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1	ZINC000436789479	559951980	/nfs/dbraw/zinc/95/19/80/559951980.db2.gz	DPNDUEXYCCYXBL-UHFFFAOYSA-N	-1	3	367.380	2.438	20	30		FEEDHM
N#C[C@@H](CCc1ccccc1)C(=O)NCCNC(=O)c1ccc([O-])cc1	ZINC000436842456	559953997	/nfs/dbraw/zinc/95/39/97/559953997.db2.gz	WOFQCLMIXLNKLY-QGZVFWFLSA-N	-1	3	351.406	2.011	20	30		FEEDHM
N#Cc1ccc(NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)cc1F	ZINC000436938567	559956990	/nfs/dbraw/zinc/95/69/90/559956990.db2.gz	JQIATXNIJMEYPM-UHFFFAOYSA-N	-1	3	368.368	2.393	20	30		FEEDHM
C=CCOC[C@@H](NC(=O)c1cc(Cc2ccccc2)ccc1[O-])C(=O)OC	ZINC000436995250	559958982	/nfs/dbraw/zinc/95/89/82/559958982.db2.gz	QFRYVPOOVIUHRP-GOSISDBHSA-N	-1	3	369.417	2.457	20	30		FEEDHM
C=C[C@@](C)(CC)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F	ZINC000441383286	560030541	/nfs/dbraw/zinc/03/05/41/560030541.db2.gz	KJLJXDLGFJUFFD-HNNXBMFYSA-N	-1	3	362.854	2.476	20	30		FEEDHM
Cc1cccc2nc(C(C#N)=C([O-])c3cn(Cc4ccccn4)nn3)[nH]c21	ZINC000442731668	560055404	/nfs/dbraw/zinc/05/54/04/560055404.db2.gz	SVDIXDHYGPARKH-AWEZNQCLSA-N	-1	3	357.377	2.396	20	30		FEEDHM
C[C@H]1Cc2ccccc2N1CC[N-]S(=O)(=O)c1ccc(F)cc1C#N	ZINC000443036218	560067112	/nfs/dbraw/zinc/06/71/12/560067112.db2.gz	WUQUKPHAQLJARA-ZDUSSCGKSA-N	-1	3	359.426	2.427	20	30		FEEDHM
C=CCN(CC=C)[C@H](C[N-]S(=O)(=O)c1cn(C(C)C)cn1)C(C)C	ZINC000444106447	560101771	/nfs/dbraw/zinc/10/17/71/560101771.db2.gz	GMKAGSUEHIFZEE-MRXNPFEDSA-N	-1	3	354.520	2.441	20	30		FEEDHM
O=S(=O)([N-][C@H](CO)CC(F)(F)F)c1ccc(C(F)(F)F)c(F)c1	ZINC000447876140	560171872	/nfs/dbraw/zinc/17/18/72/560171872.db2.gz	YHQQWSLFRZETKC-LURJTMIESA-N	-1	3	369.258	2.436	20	30		FEEDHM
CC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)[C@@H](O)CC	ZINC000451977290	560341715	/nfs/dbraw/zinc/34/17/15/560341715.db2.gz	NYFMGDSUCGECLY-NEPJUHHUSA-N	-1	3	350.362	2.405	20	30		FEEDHM
N#Cc1c(F)cccc1N1CCN(Cc2cc(=O)[n-]c(C3CC3)n2)CC1	ZINC000459281557	560677526	/nfs/dbraw/zinc/67/75/26/560677526.db2.gz	OJENLIXEJWAQFV-UHFFFAOYSA-N	-1	3	353.401	2.393	20	30		FEEDHM
N#CC(=C([O-])c1ccc(OCC(N)=O)cc1)c1cc(C(F)(F)F)ccn1	ZINC000464472609	560842727	/nfs/dbraw/zinc/84/27/27/560842727.db2.gz	DYEKBOTWFPDBCB-CYBMUJFWSA-N	-1	3	363.295	2.455	20	30		FEEDHM
C=C[C@H](C)NC(=O)c1cc(C2CC2)nc2c1c(=O)[n-]c(=O)n2CC(C)C	ZINC000465145282	560859035	/nfs/dbraw/zinc/85/90/35/560859035.db2.gz	NMJYEYNMYCELPO-NSHDSACASA-N	-1	3	356.426	2.335	20	30		FEEDHM
N#CCCCOc1cccnc1NC(=O)NCc1nnc(C(F)(F)F)[n-]1	ZINC000466621323	560891425	/nfs/dbraw/zinc/89/14/25/560891425.db2.gz	QPDXEMPIQLDWME-UHFFFAOYSA-N	-1	3	369.307	2.223	20	30		FEEDHM
N#CCCCOc1cccnc1NC(=O)NCc1n[n-]c(C(F)(F)F)n1	ZINC000466621323	560891427	/nfs/dbraw/zinc/89/14/27/560891427.db2.gz	QPDXEMPIQLDWME-UHFFFAOYSA-N	-1	3	369.307	2.223	20	30		FEEDHM
N#CCCCOc1cccnc1NC(=O)NCc1nc(C(F)(F)F)n[n-]1	ZINC000466621323	560891428	/nfs/dbraw/zinc/89/14/28/560891428.db2.gz	QPDXEMPIQLDWME-UHFFFAOYSA-N	-1	3	369.307	2.223	20	30		FEEDHM
CCOC(=O)[C@@H](Cc1ccccc1Cl)[N-]S(=O)(=O)CCCCC#N	ZINC000472733834	561033962	/nfs/dbraw/zinc/03/39/62/561033962.db2.gz	FHDSDLOIDAKXDM-OAHLLOKOSA-N	-1	3	372.874	2.427	20	30		FEEDHM
C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCc1ncccc1[O-]	ZINC000473033908	561040753	/nfs/dbraw/zinc/04/07/53/561040753.db2.gz	HMORDDZEWAULEO-GFCCVEGCSA-N	-1	3	370.434	2.436	20	30		FEEDHM
C=CCOc1ccc(C(=O)Nc2c(C(=O)OC)c[n-]c2C(=O)OC)cc1	ZINC000474773547	561082620	/nfs/dbraw/zinc/08/26/20/561082620.db2.gz	JIAMYBXCPYPALR-UHFFFAOYSA-N	-1	3	358.350	2.405	20	30		FEEDHM
N#Cc1c(Br)cccc1S(=O)(=O)[N-]CC[C@@H]1CCCOC1	ZINC000528449454	562330006	/nfs/dbraw/zinc/33/00/06/562330006.db2.gz	LTKOUCXZKKPCJZ-NSHDSACASA-N	-1	3	373.272	2.416	20	30		FEEDHM
CCc1ccc(NC(=O)C(C#N)=C([O-])c2cnn(CCCOC)c2)cc1	ZINC000528921772	562353051	/nfs/dbraw/zinc/35/30/51/562353051.db2.gz	VQGDGSWAHBYYNA-KRWDZBQOSA-N	-1	3	354.410	2.443	20	30		FEEDHM
COC(=O)[C@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C1CCCCC1	ZINC000531037943	562432571	/nfs/dbraw/zinc/43/25/71/562432571.db2.gz	CTGMJGHMNBGYDG-GOSISDBHSA-N	-1	3	373.453	2.446	20	30		FEEDHM
C=C(C)[C@@H](CC(=O)Nc1cc(N2CCCS2(=O)=O)ccc1[O-])OCC	ZINC000533964465	562522482	/nfs/dbraw/zinc/52/24/82/562522482.db2.gz	SWDQISXROUTYMQ-MRXNPFEDSA-N	-1	3	368.455	2.242	20	30		FEEDHM
CC(C)c1nc([C@@H](C)[N-]S(=O)(=O)c2cccc(Cl)c2C#N)n[nH]1	ZINC000534243117	562528321	/nfs/dbraw/zinc/52/83/21/562528321.db2.gz	REXZQALFYLKQCN-SECBINFHSA-N	-1	3	353.835	2.493	20	30		FEEDHM
Cc1cccc2[nH]c(C(C#N)=C([O-])c3coc(S(=O)(=O)N(C)C)c3)nc21	ZINC000535203658	562553212	/nfs/dbraw/zinc/55/32/12/562553212.db2.gz	WBOUUBDHKPDFGN-LBPRGKRZSA-N	-1	3	372.406	2.205	20	30		FEEDHM
COc1ccccc1[C@H](CO)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl	ZINC000540939673	562597729	/nfs/dbraw/zinc/59/77/29/562597729.db2.gz	NGBDIMZWNJTFMD-AWEZNQCLSA-N	-1	3	366.826	2.232	20	30		FEEDHM
C[C@@]1(c2ccc(-c3noc(-c4cccc(C#N)c4)n3)cc2)NC(=O)[N-]C1=O	ZINC000545533795	562628603	/nfs/dbraw/zinc/62/86/03/562628603.db2.gz	JYXNDROXWZCYQB-IBGZPJMESA-N	-1	3	359.345	2.330	20	30		FEEDHM
C[C@H]1CN(C(=O)c2cc([O-])cc(Br)c2)C[C@H](C)N1CC#N	ZINC000603092952	568059914	/nfs/dbraw/zinc/05/99/14/568059914.db2.gz	NJGOFADUQIRULY-QWRGUYRKSA-N	-1	3	352.232	2.213	20	30		FEEDHM
N#CCCCCS(=O)(=O)[N-][C@@H](Cc1ccccc1)[C@H](O)C(F)(F)F	ZINC000603424827	568096387	/nfs/dbraw/zinc/09/63/87/568096387.db2.gz	QJIRMHBRVLNMIA-KBPBESRZSA-N	-1	3	364.389	2.134	20	30		FEEDHM
C=CCCCCCN(C)C(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1C	ZINC000735408153	598907447	/nfs/dbraw/zinc/90/74/47/598907447.db2.gz	GSLCBJLRRVKLPU-UHFFFAOYSA-N	-1	3	356.430	2.318	20	30		FEEDHM
C=CCCCCCN(C)C(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1C	ZINC000735408153	598907449	/nfs/dbraw/zinc/90/74/49/598907449.db2.gz	GSLCBJLRRVKLPU-UHFFFAOYSA-N	-1	3	356.430	2.318	20	30		FEEDHM
N#Cc1ccc(NC(=O)CSCc2cccnc2)cc1-c1nnn[n-]1	ZINC000737716946	598916400	/nfs/dbraw/zinc/91/64/00/598916400.db2.gz	XIYBEIATIRPALQ-UHFFFAOYSA-N	-1	3	351.395	2.005	20	30		FEEDHM
N#Cc1ccc(NC(=O)CSCc2cccnc2)cc1-c1nn[n-]n1	ZINC000737716946	598916401	/nfs/dbraw/zinc/91/64/01/598916401.db2.gz	XIYBEIATIRPALQ-UHFFFAOYSA-N	-1	3	351.395	2.005	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2ccc(Cn3cccn3)cc2)cc1-c1nnn[n-]1	ZINC000737717993	598918904	/nfs/dbraw/zinc/91/89/04/598918904.db2.gz	DGMXUGJXERDHLD-UHFFFAOYSA-N	-1	3	370.376	2.235	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2ccc(Cn3cccn3)cc2)cc1-c1nn[n-]n1	ZINC000737717993	598918906	/nfs/dbraw/zinc/91/89/06/598918906.db2.gz	DGMXUGJXERDHLD-UHFFFAOYSA-N	-1	3	370.376	2.235	20	30		FEEDHM
Cc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)nn1-c1ccccc1	ZINC000737236573	598928225	/nfs/dbraw/zinc/92/82/25/598928225.db2.gz	NXAKZIOYYQYLOX-UHFFFAOYSA-N	-1	3	370.376	2.485	20	30		FEEDHM
Cc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)nn1-c1ccccc1	ZINC000737236573	598928227	/nfs/dbraw/zinc/92/82/27/598928227.db2.gz	NXAKZIOYYQYLOX-UHFFFAOYSA-N	-1	3	370.376	2.485	20	30		FEEDHM
C=CCn1c(C)nnc1SCCOc1ccc(-c2nnn[n-]2)cc1OC	ZINC000735443461	598937778	/nfs/dbraw/zinc/93/77/78/598937778.db2.gz	WAXRBWAHYCPQSX-UHFFFAOYSA-N	-1	3	373.442	2.132	20	30		FEEDHM
C=CCn1c(C)nnc1SCCOc1ccc(-c2nn[n-]n2)cc1OC	ZINC000735443461	598937779	/nfs/dbraw/zinc/93/77/79/598937779.db2.gz	WAXRBWAHYCPQSX-UHFFFAOYSA-N	-1	3	373.442	2.132	20	30		FEEDHM
C[C@](C#N)(NC(=O)COc1cccc(-c2nnn[n-]2)c1)C1CCCCC1	ZINC000735503000	598969924	/nfs/dbraw/zinc/96/99/24/598969924.db2.gz	DUVOIBHFDFVQSK-GOSISDBHSA-N	-1	3	354.414	2.224	20	30		FEEDHM
C[C@](C#N)(NC(=O)COc1cccc(-c2nn[n-]n2)c1)C1CCCCC1	ZINC000735503000	598969926	/nfs/dbraw/zinc/96/99/26/598969926.db2.gz	DUVOIBHFDFVQSK-GOSISDBHSA-N	-1	3	354.414	2.224	20	30		FEEDHM
COc1cc(-c2nnn[n-]2)ccc1OCCON=Cc1cccc(F)c1	ZINC000737033326	598977982	/nfs/dbraw/zinc/97/79/82/598977982.db2.gz	VKSZXHDLKXRPID-UHFFFAOYSA-N	-1	3	357.345	2.444	20	30		FEEDHM
COc1cc(-c2nn[n-]n2)ccc1OCCON=Cc1cccc(F)c1	ZINC000737033326	598977984	/nfs/dbraw/zinc/97/79/84/598977984.db2.gz	VKSZXHDLKXRPID-UHFFFAOYSA-N	-1	3	357.345	2.444	20	30		FEEDHM
C=CC[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C)c1ccncc1	ZINC000735410170	599004431	/nfs/dbraw/zinc/00/44/31/599004431.db2.gz	WFNRDSFCXLLWBA-OAHLLOKOSA-N	-1	3	370.438	2.166	20	30		FEEDHM
C=CC[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C)c1ccncc1	ZINC000735410170	599004433	/nfs/dbraw/zinc/00/44/33/599004433.db2.gz	WFNRDSFCXLLWBA-OAHLLOKOSA-N	-1	3	370.438	2.166	20	30		FEEDHM
COc1ccc(CN=Nc2oc(CC(C)C)nc2C#N)cc1-c1nnn[n-]1	ZINC000737083607	599129019	/nfs/dbraw/zinc/12/90/19/599129019.db2.gz	SEYHZUOBEGEEBE-UHFFFAOYSA-N	-1	3	366.385	2.379	20	30		FEEDHM
COc1ccc(CN=Nc2oc(CC(C)C)nc2C#N)cc1-c1nn[n-]n1	ZINC000737083607	599129021	/nfs/dbraw/zinc/12/90/21/599129021.db2.gz	SEYHZUOBEGEEBE-UHFFFAOYSA-N	-1	3	366.385	2.379	20	30		FEEDHM
C=CC[C@H](C)NC(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1	ZINC000735409928	599213220	/nfs/dbraw/zinc/21/32/20/599213220.db2.gz	OWUYUPJRTODJEX-ZDUSSCGKSA-N	-1	3	356.430	2.384	20	30		FEEDHM
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(C(=O)[O-])cc1	ZINC000820539584	598154821	/nfs/dbraw/zinc/15/48/21/598154821.db2.gz	RRBQRICTZMGNNA-UHFFFAOYSA-N	-1	3	351.406	2.460	20	30		FEEDHM
N#Cc1ccc(C(=O)N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)cc1	ZINC000737710178	598235491	/nfs/dbraw/zinc/23/54/91/598235491.db2.gz	RWXMHWHUUAMNIK-UHFFFAOYSA-N	-1	3	374.404	2.422	20	30		FEEDHM
N#Cc1ccc(C(=O)N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)cc1	ZINC000737710178	598235492	/nfs/dbraw/zinc/23/54/92/598235492.db2.gz	RWXMHWHUUAMNIK-UHFFFAOYSA-N	-1	3	374.404	2.422	20	30		FEEDHM
C=CCCC(=O)O[C@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2	ZINC000735408541	598358989	/nfs/dbraw/zinc/35/89/89/598358989.db2.gz	NNWFAFZQQSSOOZ-SECBINFHSA-N	-1	3	361.427	2.253	20	30		FEEDHM
C=CCCC(=O)O[C@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2	ZINC000735408541	598358991	/nfs/dbraw/zinc/35/89/91/598358991.db2.gz	NNWFAFZQQSSOOZ-SECBINFHSA-N	-1	3	361.427	2.253	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cnn(C)c1C(F)F	ZINC000735420801	598443598	/nfs/dbraw/zinc/44/35/98/598443598.db2.gz	UEHCHRJGPVETHN-UHFFFAOYSA-N	-1	3	373.367	2.366	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cnn(C)c1C(F)F	ZINC000735420801	598443600	/nfs/dbraw/zinc/44/36/00/598443600.db2.gz	UEHCHRJGPVETHN-UHFFFAOYSA-N	-1	3	373.367	2.366	20	30		FEEDHM
C#Cc1cccc(NC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)c1	ZINC000735390830	598575505	/nfs/dbraw/zinc/57/55/05/598575505.db2.gz	DRQYTMFDIQQTCF-SFHVURJKSA-N	-1	3	358.405	2.456	20	30		FEEDHM
N#Cc1ccc(CNC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)cc1	ZINC000737712291	598577779	/nfs/dbraw/zinc/57/77/79/598577779.db2.gz	PCLLTWCPGBUDLD-GOSISDBHSA-N	-1	3	373.420	2.024	20	30		FEEDHM
CN(Cc1cccc(C#N)c1)C(=O)CSc1ccc(-c2nnn[n-]2)cc1	ZINC000736821299	598652793	/nfs/dbraw/zinc/65/27/93/598652793.db2.gz	CHQISHZBVXSNCM-UHFFFAOYSA-N	-1	3	364.434	2.489	20	30		FEEDHM
CN(Cc1cccc(C#N)c1)C(=O)CSc1ccc(-c2nn[n-]n2)cc1	ZINC000736821299	598652794	/nfs/dbraw/zinc/65/27/94/598652794.db2.gz	CHQISHZBVXSNCM-UHFFFAOYSA-N	-1	3	364.434	2.489	20	30		FEEDHM
CC[C@@](C)(C#N)NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1	ZINC000736312676	598686842	/nfs/dbraw/zinc/68/68/42/598686842.db2.gz	JJHYHPZFYNZHNX-SFHVURJKSA-N	-1	3	363.381	2.476	20	30		FEEDHM
CC[C@@](C)(C#N)NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1	ZINC000736312676	598686843	/nfs/dbraw/zinc/68/68/43/598686843.db2.gz	JJHYHPZFYNZHNX-SFHVURJKSA-N	-1	3	363.381	2.476	20	30		FEEDHM
C=CCOc1ccccc1CNC(=O)CNc1ccc(-c2nn[n-]n2)cc1	ZINC000735436930	598695482	/nfs/dbraw/zinc/69/54/82/598695482.db2.gz	UWJTUIKTBWQKAG-UHFFFAOYSA-N	-1	3	364.409	2.160	20	30		FEEDHM
C=C(C)CN(CC)C(=O)CNc1ccc(OC(C)C)c(-c2nnn[n-]2)c1	ZINC000819723096	607371742	/nfs/dbraw/zinc/37/17/42/607371742.db2.gz	YNIWYDRFUMHYJT-UHFFFAOYSA-N	-1	3	358.446	2.490	20	30		FEEDHM
C=C(C)CN(CC)C(=O)CNc1ccc(OC(C)C)c(-c2nn[n-]n2)c1	ZINC000819723096	607371743	/nfs/dbraw/zinc/37/17/43/607371743.db2.gz	YNIWYDRFUMHYJT-UHFFFAOYSA-N	-1	3	358.446	2.490	20	30		FEEDHM
c1nc2ccc(-c3nnn[n-]3)cn2c1CN=Nc1nc(-c2ccccc2)no1	ZINC000735401154	599457397	/nfs/dbraw/zinc/45/73/97/599457397.db2.gz	YBFMJZQCJRMNJO-UHFFFAOYSA-N	-1	3	372.352	2.010	20	30		FEEDHM
c1nc2ccc(-c3nn[n-]n3)cn2c1CN=Nc1nc(-c2ccccc2)no1	ZINC000735401154	599457399	/nfs/dbraw/zinc/45/73/99/599457399.db2.gz	YBFMJZQCJRMNJO-UHFFFAOYSA-N	-1	3	372.352	2.010	20	30		FEEDHM
N#CC1(NC(=O)c2cccc(COc3ccccc3-c3nnn[n-]3)c2)CC1	ZINC000737678645	599570828	/nfs/dbraw/zinc/57/08/28/599570828.db2.gz	KZHXRMJQXQHSDF-UHFFFAOYSA-N	-1	3	360.377	2.232	20	30		FEEDHM
N#CC1(NC(=O)c2cccc(COc3ccccc3-c3nn[n-]n3)c2)CC1	ZINC000737678645	599570829	/nfs/dbraw/zinc/57/08/29/599570829.db2.gz	KZHXRMJQXQHSDF-UHFFFAOYSA-N	-1	3	360.377	2.232	20	30		FEEDHM
Cc1cc2c(cc1C)O[C@@H](C(=O)Nc1ccc(-c3nnn[n-]3)c(C#N)c1)C2	ZINC000822212953	599631321	/nfs/dbraw/zinc/63/13/21/599631321.db2.gz	OAYRQUIYQBDMOP-QGZVFWFLSA-N	-1	3	360.377	2.297	20	30		FEEDHM
Cc1cc2c(cc1C)O[C@@H](C(=O)Nc1ccc(-c3nn[n-]n3)c(C#N)c1)C2	ZINC000822212953	599631322	/nfs/dbraw/zinc/63/13/22/599631322.db2.gz	OAYRQUIYQBDMOP-QGZVFWFLSA-N	-1	3	360.377	2.297	20	30		FEEDHM
COc1ccc(NC(=O)C(C#N)C(=O)CCCNC(=O)[O-])cc1Cl	ZINC000738024136	599798680	/nfs/dbraw/zinc/79/86/80/599798680.db2.gz	AGQBAKZAXHWSNA-SNVBAGLBSA-N	-1	3	353.762	2.044	20	30		FEEDHM
COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)CCCNC(=O)[O-]	ZINC000737887697	599798686	/nfs/dbraw/zinc/79/86/86/599798686.db2.gz	YWCXPMCEOCZTGZ-SNVBAGLBSA-N	-1	3	367.789	2.352	20	30		FEEDHM
CN(C(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1ccc(C#N)cc1	ZINC000825820558	607435779	/nfs/dbraw/zinc/43/57/79/607435779.db2.gz	KFXULWSARVAMFZ-UHFFFAOYSA-N	-1	3	350.407	2.493	20	30		FEEDHM
CN(C(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1ccc(C#N)cc1	ZINC000825820558	607435784	/nfs/dbraw/zinc/43/57/84/607435784.db2.gz	KFXULWSARVAMFZ-UHFFFAOYSA-N	-1	3	350.407	2.493	20	30		FEEDHM
COc1ccc(NN=Cc2ccc(-c3nnn[n-]3)cc2F)c([N+](=O)[O-])c1	ZINC000821835815	607466347	/nfs/dbraw/zinc/46/63/47/607466347.db2.gz	SJIMOIGPSOQXCM-UHFFFAOYSA-N	-1	3	357.305	2.369	20	30		FEEDHM
COc1ccc(NN=Cc2ccc(-c3nn[n-]n3)cc2F)c([N+](=O)[O-])c1	ZINC000821835815	607466350	/nfs/dbraw/zinc/46/63/50/607466350.db2.gz	SJIMOIGPSOQXCM-UHFFFAOYSA-N	-1	3	357.305	2.369	20	30		FEEDHM
N#CCn1c(=O)c2ccccc2nc1CN1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-]	ZINC000833068941	600986853	/nfs/dbraw/zinc/98/68/53/600986853.db2.gz	ICBAHQHXBHXIBI-XKQJLSEDSA-N	-1	3	366.421	2.138	20	30		FEEDHM
N#Cc1ccc([C@H](C(=O)[O-])N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1	ZINC000833072189	601013223	/nfs/dbraw/zinc/01/32/23/601013223.db2.gz	PRIZVEKBWSGNPZ-RHSMWYFYSA-N	-1	3	367.365	2.174	20	30		FEEDHM
COc1ccc(NC(=O)C(C#N)C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)cc1OC	ZINC000832389066	601236596	/nfs/dbraw/zinc/23/65/96/601236596.db2.gz	PNSACHPGKKQFQM-OUCADQQQSA-N	-1	3	374.393	2.242	20	30		FEEDHM
CS(=O)(=O)Cc1ccc(CN[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1	ZINC000832676593	601302098	/nfs/dbraw/zinc/30/20/98/601302098.db2.gz	XGNAORUAXAJSRD-QGZVFWFLSA-N	-1	3	358.419	2.018	20	30		FEEDHM
N#Cc1cc(Cl)ccc1S(=O)(=O)Oc1ccc(-c2nnn[n-]2)cc1	ZINC000826383519	607572179	/nfs/dbraw/zinc/57/21/79/607572179.db2.gz	DZUZOSFFRVGPFM-UHFFFAOYSA-N	-1	3	361.770	2.159	20	30		FEEDHM
N#Cc1cc(Cl)ccc1S(=O)(=O)Oc1ccc(-c2nn[n-]n2)cc1	ZINC000826383519	607572181	/nfs/dbraw/zinc/57/21/81/607572181.db2.gz	DZUZOSFFRVGPFM-UHFFFAOYSA-N	-1	3	361.770	2.159	20	30		FEEDHM
C[C@@H]1CN(C(=O)[O-])CCN1CC(=O)C(C#N)c1nc2ccccc2s1	ZINC000739158479	602738186	/nfs/dbraw/zinc/73/81/86/602738186.db2.gz	BJRRJLLRUQGTLE-VXGBXAGGSA-N	-1	3	358.423	2.157	20	30		FEEDHM
O=C(COc1ccccc1-c1nnn[n-]1)OCC#Cc1ccccc1Cl	ZINC000826419336	607596886	/nfs/dbraw/zinc/59/68/86/607596886.db2.gz	SOMXJRCAWTXCIE-UHFFFAOYSA-N	-1	3	368.780	2.494	20	30		FEEDHM
O=C(COc1ccccc1-c1nn[n-]n1)OCC#Cc1ccccc1Cl	ZINC000826419336	607596888	/nfs/dbraw/zinc/59/68/88/607596888.db2.gz	SOMXJRCAWTXCIE-UHFFFAOYSA-N	-1	3	368.780	2.494	20	30		FEEDHM
N#Cc1ccc(N2CC[C@H](NCC3(NC(=O)[O-])CCCCC3)C2=O)cc1	ZINC000740317041	603243841	/nfs/dbraw/zinc/24/38/41/603243841.db2.gz	OURREOZUSPPTEV-INIZCTEOSA-N	-1	3	356.426	2.224	20	30		FEEDHM
N#CC(C(=O)C[C@@H](Cc1ccccc1)NC(=O)[O-])C(=O)NC1CCCCC1	ZINC000831066140	604222756	/nfs/dbraw/zinc/22/27/56/604222756.db2.gz	VDPPSXKSQOGFNZ-SJORKVTESA-N	-1	3	371.437	2.413	20	30		FEEDHM
Cc1noc(C(F)(F)F)c1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1	ZINC000822519256	606127731	/nfs/dbraw/zinc/12/77/31/606127731.db2.gz	CXDLSRFEZNVMGG-UHFFFAOYSA-N	-1	3	363.259	2.306	20	30		FEEDHM
Cc1noc(C(F)(F)F)c1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1	ZINC000822519256	606127732	/nfs/dbraw/zinc/12/77/32/606127732.db2.gz	CXDLSRFEZNVMGG-UHFFFAOYSA-N	-1	3	363.259	2.306	20	30		FEEDHM
N#C[C@@H](COC(=O)COc1ccc(-c2nn[n-]n2)cc1)Cc1ccccc1	ZINC000822802242	606182114	/nfs/dbraw/zinc/18/21/14/606182114.db2.gz	XYPSRJUKZQLTDG-HNNXBMFYSA-N	-1	3	363.377	2.171	20	30		FEEDHM
CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc(C#N)cn1C	ZINC000820151902	606235040	/nfs/dbraw/zinc/23/50/40/606235040.db2.gz	QGYOJTQBMRDXBO-UHFFFAOYSA-N	-1	3	351.370	2.116	20	30		FEEDHM
CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(C#N)cn1C	ZINC000820151902	606235042	/nfs/dbraw/zinc/23/50/42/606235042.db2.gz	QGYOJTQBMRDXBO-UHFFFAOYSA-N	-1	3	351.370	2.116	20	30		FEEDHM
N#Cc1cc(N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)ccc1F	ZINC000822823136	606248982	/nfs/dbraw/zinc/24/89/82/606248982.db2.gz	LPUVKIMYFGHMBF-MRXNPFEDSA-N	-1	3	363.356	2.095	20	30		FEEDHM
N#Cc1cc(N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)ccc1F	ZINC000822823136	606248983	/nfs/dbraw/zinc/24/89/83/606248983.db2.gz	LPUVKIMYFGHMBF-MRXNPFEDSA-N	-1	3	363.356	2.095	20	30		FEEDHM
C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@@H](C#N)C1CCCCC1	ZINC000820541237	606362520	/nfs/dbraw/zinc/36/25/20/606362520.db2.gz	CQSPSVRXWXAHJC-DOMZBBRYSA-N	-1	3	354.414	2.223	20	30		FEEDHM
C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@@H](C#N)C1CCCCC1	ZINC000820541237	606362521	/nfs/dbraw/zinc/36/25/21/606362521.db2.gz	CQSPSVRXWXAHJC-DOMZBBRYSA-N	-1	3	354.414	2.223	20	30		FEEDHM
N#Cc1nc(N)n(CCCc2ccc(C(F)(F)F)cc2)c1-c1nnn[n-]1	ZINC000822846273	606399688	/nfs/dbraw/zinc/39/96/88/606399688.db2.gz	TYDOKTSCXGUGKQ-UHFFFAOYSA-N	-1	3	362.319	2.169	20	30		FEEDHM
N#Cc1nc(N)n(CCCc2ccc(C(F)(F)F)cc2)c1-c1nn[n-]n1	ZINC000822846273	606399690	/nfs/dbraw/zinc/39/96/90/606399690.db2.gz	TYDOKTSCXGUGKQ-UHFFFAOYSA-N	-1	3	362.319	2.169	20	30		FEEDHM
N#Cc1cc(F)c(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c(F)c1	ZINC000822819373	606678464	/nfs/dbraw/zinc/67/84/64/606678464.db2.gz	RMAHTONSMKRMRC-UHFFFAOYSA-N	-1	3	358.283	2.086	20	30		FEEDHM
N#Cc1cc(F)c(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c(F)c1	ZINC000822819373	606678465	/nfs/dbraw/zinc/67/84/65/606678465.db2.gz	RMAHTONSMKRMRC-UHFFFAOYSA-N	-1	3	358.283	2.086	20	30		FEEDHM
COc1ccc2c(c1)C=C(C(=O)Nc1ccc(C#N)c(-c3nnn[n-]3)c1)CO2	ZINC000821849816	606681030	/nfs/dbraw/zinc/68/10/30/606681030.db2.gz	RJZQZWBWXNXMHL-UHFFFAOYSA-N	-1	3	374.360	2.161	20	30		FEEDHM
COc1ccc2c(c1)C=C(C(=O)Nc1ccc(C#N)c(-c3nn[n-]n3)c1)CO2	ZINC000821849816	606681031	/nfs/dbraw/zinc/68/10/31/606681031.db2.gz	RJZQZWBWXNXMHL-UHFFFAOYSA-N	-1	3	374.360	2.161	20	30		FEEDHM
N#Cc1ccc(Cl)c(NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c1	ZINC000822826444	606712952	/nfs/dbraw/zinc/71/29/52/606712952.db2.gz	YUFCYJHDWXNMIV-UHFFFAOYSA-N	-1	3	360.786	2.193	20	30		FEEDHM
N#Cc1ccc(Cl)c(NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c1	ZINC000822826444	606712955	/nfs/dbraw/zinc/71/29/55/606712955.db2.gz	YUFCYJHDWXNMIV-UHFFFAOYSA-N	-1	3	360.786	2.193	20	30		FEEDHM
N#Cc1cccc(OCCOC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c1	ZINC000822837552	606759250	/nfs/dbraw/zinc/75/92/50/606759250.db2.gz	NVURTLPTWGDENG-UHFFFAOYSA-N	-1	3	371.303	2.252	20	30		FEEDHM
N#Cc1cccc(OCCOC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1	ZINC000822837552	606759251	/nfs/dbraw/zinc/75/92/51/606759251.db2.gz	NVURTLPTWGDENG-UHFFFAOYSA-N	-1	3	371.303	2.252	20	30		FEEDHM
COc1cc(C(C)=NNc2ccc(-c3nn[n-]n3)cc2)c(OC)cc1O	ZINC000821708107	606836032	/nfs/dbraw/zinc/83/60/32/606836032.db2.gz	KIWUAIGSTFQCPE-UHFFFAOYSA-N	-1	3	354.370	2.426	20	30		FEEDHM
N#Cc1cc(C#N)c(SCc2cc(F)ccc2-c2nnn[n-]2)nc1N	ZINC000822819059	607026624	/nfs/dbraw/zinc/02/66/24/607026624.db2.gz	JZERIBSLEGIZOX-UHFFFAOYSA-N	-1	3	352.358	2.019	20	30		FEEDHM
N#Cc1cc(C#N)c(SCc2cc(F)ccc2-c2nn[n-]n2)nc1N	ZINC000822819059	607026627	/nfs/dbraw/zinc/02/66/27/607026627.db2.gz	JZERIBSLEGIZOX-UHFFFAOYSA-N	-1	3	352.358	2.019	20	30		FEEDHM
CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1ncc(C#N)s1	ZINC000820032992	607107832	/nfs/dbraw/zinc/10/78/32/607107832.db2.gz	RAAIJCXMQVQAEW-CYBMUJFWSA-N	-1	3	369.410	2.237	20	30		FEEDHM
CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1ncc(C#N)s1	ZINC000820032992	607107834	/nfs/dbraw/zinc/10/78/34/607107834.db2.gz	RAAIJCXMQVQAEW-CYBMUJFWSA-N	-1	3	369.410	2.237	20	30		FEEDHM
N#Cc1cccc(S(=O)(=O)CCSc2ccc(-c3nnn[n-]3)cc2)c1	ZINC000826387500	607817006	/nfs/dbraw/zinc/81/70/06/607817006.db2.gz	YLSRAPDAGSWNKL-UHFFFAOYSA-N	-1	3	371.447	2.304	20	30		FEEDHM
N#Cc1cccc(S(=O)(=O)CCSc2ccc(-c3nn[n-]n3)cc2)c1	ZINC000826387500	607817007	/nfs/dbraw/zinc/81/70/07/607817007.db2.gz	YLSRAPDAGSWNKL-UHFFFAOYSA-N	-1	3	371.447	2.304	20	30		FEEDHM
C=CCn1c(C)nnc1SCc1cccc(C(=O)OC)c1-c1nnn[n-]1	ZINC000823937446	607892776	/nfs/dbraw/zinc/89/27/76/607892776.db2.gz	YCWAMEQKYYMFNE-UHFFFAOYSA-N	-1	3	371.426	2.032	20	30		FEEDHM
C=CCn1c(C)nnc1SCc1cccc(C(=O)OC)c1-c1nn[n-]n1	ZINC000823937446	607892777	/nfs/dbraw/zinc/89/27/77/607892777.db2.gz	YCWAMEQKYYMFNE-UHFFFAOYSA-N	-1	3	371.426	2.032	20	30		FEEDHM
N#Cc1ccc(F)cc1CN1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1	ZINC000826385373	608070503	/nfs/dbraw/zinc/07/05/03/608070503.db2.gz	JFBBTCCMXMDBSU-SFHVURJKSA-N	-1	3	364.384	2.451	20	30		FEEDHM
N#Cc1ccc(F)cc1CN1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1	ZINC000826385373	608070504	/nfs/dbraw/zinc/07/05/04/608070504.db2.gz	JFBBTCCMXMDBSU-SFHVURJKSA-N	-1	3	364.384	2.451	20	30		FEEDHM
C=CCCO[C@@H](C)C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl	ZINC000823899410	608162380	/nfs/dbraw/zinc/16/23/80/608162380.db2.gz	VOLZWSCXCIRHSF-QMMMGPOBSA-N	-1	3	366.765	2.348	20	30		FEEDHM
C=CCCO[C@@H](C)C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl	ZINC000823899410	608162381	/nfs/dbraw/zinc/16/23/81/608162381.db2.gz	VOLZWSCXCIRHSF-QMMMGPOBSA-N	-1	3	366.765	2.348	20	30		FEEDHM
COCCn1nc(C)c(C(=O)C=Cc2ccccc2-c2nnn[n-]2)c1C	ZINC000826164100	608230824	/nfs/dbraw/zinc/23/08/24/608230824.db2.gz	ZVKVDKBIWAULFS-CMDGGOBGSA-N	-1	3	352.398	2.223	20	30		FEEDHM
COCCn1nc(C)c(C(=O)C=Cc2ccccc2-c2nn[n-]n2)c1C	ZINC000826164100	608230826	/nfs/dbraw/zinc/23/08/26/608230826.db2.gz	ZVKVDKBIWAULFS-CMDGGOBGSA-N	-1	3	352.398	2.223	20	30		FEEDHM
C=C(CC)CN1CCN(c2oc(-c3ccco3)nc2-c2nnn[n-]2)CC1	ZINC000823878454	608315975	/nfs/dbraw/zinc/31/59/75/608315975.db2.gz	ZYFZZQZNBFCYEF-UHFFFAOYSA-N	-1	3	355.402	2.203	20	30		FEEDHM
C=C(CC)CN1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1	ZINC000823878454	608315976	/nfs/dbraw/zinc/31/59/76/608315976.db2.gz	ZYFZZQZNBFCYEF-UHFFFAOYSA-N	-1	3	355.402	2.203	20	30		FEEDHM
C=CCOc1cccnc1C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1	ZINC000823931823	608457026	/nfs/dbraw/zinc/45/70/26/608457026.db2.gz	GNARMHYWYZVDET-UHFFFAOYSA-N	-1	3	350.382	2.099	20	30		FEEDHM
C=CCOc1cccnc1C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1	ZINC000823931823	608457027	/nfs/dbraw/zinc/45/70/27/608457027.db2.gz	GNARMHYWYZVDET-UHFFFAOYSA-N	-1	3	350.382	2.099	20	30		FEEDHM
Cc1cc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)nn1CCC#N	ZINC000826270262	608475832	/nfs/dbraw/zinc/47/58/32/608475832.db2.gz	SGTQYIXLIMDEMH-UHFFFAOYSA-N	-1	3	368.426	2.016	20	30		FEEDHM
Cc1cc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)nn1CCC#N	ZINC000826270262	608475833	/nfs/dbraw/zinc/47/58/33/608475833.db2.gz	SGTQYIXLIMDEMH-UHFFFAOYSA-N	-1	3	368.426	2.016	20	30		FEEDHM
COc1nc(Cl)c(C=NNc2cc(-c3nn[n-]n3)cc(Cl)n2)s1	ZINC000826221397	608535848	/nfs/dbraw/zinc/53/58/48/608535848.db2.gz	CVIIXWKWZDYELD-UHFFFAOYSA-N	-1	3	371.213	2.480	20	30		FEEDHM
CCOC(=O)c1ccc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)o1	ZINC000825560688	608540332	/nfs/dbraw/zinc/54/03/32/608540332.db2.gz	VRKLTRWDJRQAGI-UHFFFAOYSA-N	-1	3	361.749	2.131	20	30		FEEDHM
COc1cc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)cc(OC)c1	ZINC000826178909	608542351	/nfs/dbraw/zinc/54/23/51/608542351.db2.gz	QMSAMDWSXYWRAA-UHFFFAOYSA-N	-1	3	359.777	2.378	20	30		FEEDHM
COc1cc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)cc(OC)c1	ZINC000826178909	608542353	/nfs/dbraw/zinc/54/23/53/608542353.db2.gz	QMSAMDWSXYWRAA-UHFFFAOYSA-N	-1	3	359.777	2.378	20	30		FEEDHM
Cc1cc(C(=O)O[C@H](C#N)C(C)C)nn1-c1cccc(-c2nnn[n-]2)c1	ZINC000826261043	609143856	/nfs/dbraw/zinc/14/38/56/609143856.db2.gz	OUWKWOYQNKGFBJ-OAHLLOKOSA-N	-1	3	351.370	2.066	20	30		FEEDHM
Cc1cc(C(=O)O[C@H](C#N)C(C)C)nn1-c1cccc(-c2nn[n-]n2)c1	ZINC000826261043	609143858	/nfs/dbraw/zinc/14/38/58/609143858.db2.gz	OUWKWOYQNKGFBJ-OAHLLOKOSA-N	-1	3	351.370	2.066	20	30		FEEDHM
COc1ccc(CNC(=O)c2ccc(C3(C#N)CC3)cc2)cc1-c1nnn[n-]1	ZINC000826200723	609234103	/nfs/dbraw/zinc/23/41/03/609234103.db2.gz	GAJWHLAUYKUVHK-UHFFFAOYSA-N	-1	3	374.404	2.360	20	30		FEEDHM
COc1ccc(CNC(=O)c2ccc(C3(C#N)CC3)cc2)cc1-c1nn[n-]n1	ZINC000826200723	609234104	/nfs/dbraw/zinc/23/41/04/609234104.db2.gz	GAJWHLAUYKUVHK-UHFFFAOYSA-N	-1	3	374.404	2.360	20	30		FEEDHM
N#CC1(c2ccc(C(=O)OCC(=O)c3ccc(-c4nnn[n-]4)cc3)cc2)CC1	ZINC000826380388	609246460	/nfs/dbraw/zinc/24/64/60/609246460.db2.gz	YNGREMKOUYYONF-UHFFFAOYSA-N	-1	3	373.372	2.462	20	30		FEEDHM
N#CC1(c2ccc(C(=O)OCC(=O)c3ccc(-c4nn[n-]n4)cc3)cc2)CC1	ZINC000826380388	609246462	/nfs/dbraw/zinc/24/64/62/609246462.db2.gz	YNGREMKOUYYONF-UHFFFAOYSA-N	-1	3	373.372	2.462	20	30		FEEDHM
N#CCC[C@H](NC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1	ZINC000826381591	609254435	/nfs/dbraw/zinc/25/44/35/609254435.db2.gz	RDIPDTOWZMYJFG-IRXDYDNUSA-N	-1	3	362.393	2.061	20	30		FEEDHM
N#CCC[C@H](NC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1	ZINC000826381591	609254437	/nfs/dbraw/zinc/25/44/37/609254437.db2.gz	RDIPDTOWZMYJFG-IRXDYDNUSA-N	-1	3	362.393	2.061	20	30		FEEDHM
C=C(C)CN(C)C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1	ZINC000823873379	609362155	/nfs/dbraw/zinc/36/21/55/609362155.db2.gz	LMHHKQZNEJXDTB-UHFFFAOYSA-N	-1	3	356.365	2.231	20	30		FEEDHM
Clc1cc(N=NC2CCN(c3cnccn3)CC2)ccc1-c1nnn[n-]1	ZINC000826351489	609476812	/nfs/dbraw/zinc/47/68/12/609476812.db2.gz	OMMWGCARWWXOMR-UHFFFAOYSA-N	-1	3	369.820	2.378	20	30		FEEDHM
Clc1cc(N=NC2CCN(c3cnccn3)CC2)ccc1-c1nn[n-]n1	ZINC000826351489	609476814	/nfs/dbraw/zinc/47/68/14/609476814.db2.gz	OMMWGCARWWXOMR-UHFFFAOYSA-N	-1	3	369.820	2.378	20	30		FEEDHM
CCOc1ccc(C#N)cc1NCc1cnc2ccc(-c3nnn[n-]3)cn12	ZINC000825632491	609477396	/nfs/dbraw/zinc/47/73/96/609477396.db2.gz	UYDQHUVJCFCVEK-UHFFFAOYSA-N	-1	3	360.381	2.397	20	30		FEEDHM
CCOc1ccc(C#N)cc1NCc1cnc2ccc(-c3nn[n-]n3)cn12	ZINC000825632491	609477397	/nfs/dbraw/zinc/47/73/97/609477397.db2.gz	UYDQHUVJCFCVEK-UHFFFAOYSA-N	-1	3	360.381	2.397	20	30		FEEDHM
C#CCCCCCC(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1	ZINC000823840924	609546756	/nfs/dbraw/zinc/54/67/56/609546756.db2.gz	GRFGQJJHBOGBNK-UHFFFAOYSA-N	-1	3	352.442	2.099	20	30		FEEDHM
C#CCCCCCC(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1	ZINC000823840924	609546757	/nfs/dbraw/zinc/54/67/57/609546757.db2.gz	GRFGQJJHBOGBNK-UHFFFAOYSA-N	-1	3	352.442	2.099	20	30		FEEDHM
CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1	ZINC000824100270	609557471	/nfs/dbraw/zinc/55/74/71/609557471.db2.gz	PBUHJCKQCYQYFZ-QGZVFWFLSA-N	-1	3	374.376	2.206	20	30		FEEDHM
CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1	ZINC000824100270	609557473	/nfs/dbraw/zinc/55/74/73/609557473.db2.gz	PBUHJCKQCYQYFZ-QGZVFWFLSA-N	-1	3	374.376	2.206	20	30		FEEDHM
C#Cc1cccc(NC(=S)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)c1	ZINC000811720862	674623226	/nfs/dbraw/zinc/62/32/26/674623226.db2.gz	GMRYCNMFDIPRHX-UHFFFAOYSA-N	-1	3	352.419	2.373	20	30		FEEDHM
C#C[C@@H](NC(=O)c1cc(S(=O)(=O)[N-]C)oc1C)c1ccc(Cl)cc1	ZINC000811948245	674641672	/nfs/dbraw/zinc/64/16/72/674641672.db2.gz	BUAJLVJQUSHWTQ-CQSZACIVSA-N	-1	3	366.826	2.254	20	30		FEEDHM
C#C[C@H]([N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F)[C@@H]1CCCO1	ZINC000813692269	674770321	/nfs/dbraw/zinc/77/03/21/674770321.db2.gz	FWXYKRXQNAEMNU-UWVGGRQHSA-N	-1	3	367.320	2.183	20	30		FEEDHM
C=CCC(C)(C)CNC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000814420519	674846136	/nfs/dbraw/zinc/84/61/36/674846136.db2.gz	AKJAJWGOKDSMOF-CYBMUJFWSA-N	-1	3	363.483	2.222	20	30		FEEDHM
O=S(=O)(CCc1ccccc1)[N-]N=Cc1ncc(Br)s1	ZINC000814858861	674884247	/nfs/dbraw/zinc/88/42/47/674884247.db2.gz	IHNZQQVEGACBJW-UHFFFAOYSA-N	-1	3	374.285	2.402	20	30		FEEDHM
CCC1(COC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)CC1	ZINC000816184075	675031719	/nfs/dbraw/zinc/03/17/19/675031719.db2.gz	KKUBRAMZHWSXSC-LBPRGKRZSA-N	-1	3	350.440	2.237	20	30		FEEDHM
CCCCCCOc1ccc(C(=O)N[C@@H]2CCN([O-])C2=O)cc1OC	ZINC000816692476	675073293	/nfs/dbraw/zinc/07/32/93/675073293.db2.gz	PDPAYAQFGYZIRX-CQSZACIVSA-N	-1	3	350.415	2.374	20	30		FEEDHM
CCCCCCOc1ccc(C(=O)N[C@H]2CCN([O-])C2=O)cc1OC	ZINC000816692475	675073311	/nfs/dbraw/zinc/07/33/11/675073311.db2.gz	PDPAYAQFGYZIRX-AWEZNQCLSA-N	-1	3	350.415	2.374	20	30		FEEDHM
CCCOc1c(Cl)cc(C(=O)N[C@H]2CCCN([O-])C2=O)cc1OC	ZINC000816756578	675078158	/nfs/dbraw/zinc/07/81/58/675078158.db2.gz	ZXDBPOQNRGMJDX-LBPRGKRZSA-N	-1	3	356.806	2.247	20	30		FEEDHM
C=CCC(F)(F)C(=O)[N-][C@H]1CN(c2ccc(Br)cc2)C1=O	ZINC000817028140	675093783	/nfs/dbraw/zinc/09/37/83/675093783.db2.gz	AZAJCSAJZHXXEA-NSHDSACASA-N	-1	3	359.170	2.492	20	30		FEEDHM
N#Cc1ccc(CS(=O)(=O)[N-]Cc2noc(-c3cccs3)n2)cc1	ZINC000572470900	671005965	/nfs/dbraw/zinc/00/59/65/671005965.db2.gz	ZBPTYKJYCUQDPS-UHFFFAOYSA-N	-1	3	360.420	2.289	20	30		FEEDHM
N#CC1(C(=O)Nc2cc(I)ccc2[O-])CCOCC1	ZINC000610490258	675975370	/nfs/dbraw/zinc/97/53/70/675975370.db2.gz	HZKJHTPNTWNKNU-UHFFFAOYSA-N	-1	3	372.162	2.256	20	30		FEEDHM
COc1cc(C[N-]S(=O)(=O)c2cc(F)c(F)cc2F)ccc1C#N	ZINC000583535084	672104093	/nfs/dbraw/zinc/10/40/93/672104093.db2.gz	SRJACVJXJPROFE-UHFFFAOYSA-N	-1	3	356.325	2.463	20	30		FEEDHM
C#C[C@@H](OC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)C1CC1	ZINC000152470705	672182403	/nfs/dbraw/zinc/18/24/03/672182403.db2.gz	NZBVTOQIUAKUJH-CQSZACIVSA-N	-1	3	353.415	2.471	20	30		FEEDHM
COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-][C@@H](C)C#N	ZINC000160681412	672292805	/nfs/dbraw/zinc/29/28/05/672292805.db2.gz	HKPRGVABKMDBBJ-LURJTMIESA-N	-1	3	353.625	2.301	20	30		FEEDHM
C#CCN(C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)C1CCCC1	ZINC000164364099	672312802	/nfs/dbraw/zinc/31/28/02/672312802.db2.gz	FDRSIMQGSTUWAD-UHFFFAOYSA-N	-1	3	360.888	2.084	20	30		FEEDHM
C#Cc1cccc(NC(=O)C[N-]S(=O)(=O)c2cc(F)ccc2Cl)c1	ZINC000171420996	672332207	/nfs/dbraw/zinc/33/22/07/672332207.db2.gz	WNGSSRCBVKPWRT-UHFFFAOYSA-N	-1	3	366.801	2.377	20	30		FEEDHM
COCCOc1cccc(C[N-]S(=O)(=O)c2ccsc2C#N)c1	ZINC000593534338	672936146	/nfs/dbraw/zinc/93/61/46/672936146.db2.gz	KABFBTWUJYHTJI-UHFFFAOYSA-N	-1	3	352.437	2.123	20	30		FEEDHM
N#Cc1sccc1S(=O)(=O)[N-]C1(c2cccc(C#N)c2)CCOCC1	ZINC000594866486	673171338	/nfs/dbraw/zinc/17/13/38/673171338.db2.gz	ZPFHDMWXQIACLR-UHFFFAOYSA-N	-1	3	373.459	2.476	20	30		FEEDHM
CC(C)C[C@H]([N-]S(=O)(=O)CCCC#N)C(=O)OCc1ccccc1	ZINC000733799129	673438419	/nfs/dbraw/zinc/43/84/19/673438419.db2.gz	UJUNYAPMBGRUMH-INIZCTEOSA-N	-1	3	352.456	2.368	20	30		FEEDHM
C=CCN1C(=S)N=NC1c1sc([N-]C(=O)c2nonc2C)nc1C	ZINC000735845917	673504628	/nfs/dbraw/zinc/50/46/28/673504628.db2.gz	ARACVNNIXCQCGU-UHFFFAOYSA-N	-1	3	363.428	2.128	20	30		FEEDHM
CC(CS(=O)(=O)c1ccccc1)N=Nc1ccc(-c2nnn[n-]2)cc1	ZINC000736041499	673511254	/nfs/dbraw/zinc/51/12/54/673511254.db2.gz	WRXOEGOHHCEHDJ-UHFFFAOYSA-N	-1	3	356.411	2.128	20	30		FEEDHM
CC(CS(=O)(=O)c1ccccc1)N=Nc1ccc(-c2nn[n-]n2)cc1	ZINC000736041499	673511257	/nfs/dbraw/zinc/51/12/57/673511257.db2.gz	WRXOEGOHHCEHDJ-UHFFFAOYSA-N	-1	3	356.411	2.128	20	30		FEEDHM
C[C@@H](C(=O)Nc1cccc(Br)c1)n1ccc(C=N[O-])nc1=O	ZINC000736306528	673519164	/nfs/dbraw/zinc/51/91/64/673519164.db2.gz	GPBJMNVUYIFEKP-VIFPVBQESA-N	-1	3	365.187	2.014	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)NCCOCCC(C)C)ccc1F	ZINC000742441434	673727622	/nfs/dbraw/zinc/72/76/22/673727622.db2.gz	ZQYZFPCSUXTIKP-UHFFFAOYSA-N	-1	3	372.462	2.083	20	30		FEEDHM
CCCN(CC1CC1)C(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000742469868	673728812	/nfs/dbraw/zinc/72/88/12/673728812.db2.gz	JUZSMEFYVPGAGO-CYBMUJFWSA-N	-1	3	363.483	2.152	20	30		FEEDHM
N#Cc1ccc(C(=O)NCC(=O)Nc2ccc(Br)cc2[O-])cc1	ZINC000546035800	673787632	/nfs/dbraw/zinc/78/76/32/673787632.db2.gz	XVHSEWBNRYKUEL-UHFFFAOYSA-N	-1	3	374.194	2.395	20	30		FEEDHM
O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)OCCC1CCCCC1	ZINC000744248039	673788854	/nfs/dbraw/zinc/78/88/54/673788854.db2.gz	DSXXXVUPWUERCD-UHFFFAOYSA-N	-1	3	350.440	2.239	20	30		FEEDHM
C=C(C)C[C@H]([N-]S(=O)(=O)c1cscc1Br)C(=O)OC	ZINC000601502935	673872144	/nfs/dbraw/zinc/87/21/44/673872144.db2.gz	ZJMHWYBFPMTKRL-VIFPVBQESA-N	-1	3	368.274	2.297	20	30		FEEDHM
CCCC[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NCC(C)(F)F	ZINC000818251537	675207101	/nfs/dbraw/zinc/20/71/01/675207101.db2.gz	AMFWIZOTKRJKAP-GFCCVEGCSA-N	-1	3	373.425	2.055	20	30		FEEDHM
O=C(N[C@@H]1CCN([O-])C1=O)c1ccc(C(F)(F)F)cc1N1CCCC1	ZINC000820143954	675339047	/nfs/dbraw/zinc/33/90/47/675339047.db2.gz	PNJSGTJTZZLLGS-GFCCVEGCSA-N	-1	3	357.332	2.026	20	30		FEEDHM
O=C(Cc1csc2ccc(Br)cc12)N[C@H]1CCN([O-])C1=O	ZINC000820144327	675339138	/nfs/dbraw/zinc/33/91/38/675339138.db2.gz	STFJWZWHCOJCNN-NSHDSACASA-N	-1	3	369.240	2.313	20	30		FEEDHM
O=C(N[C@@H]1CCCN([O-])C1=O)c1csc(-c2ccc(F)c(F)c2)n1	ZINC000820476674	675364915	/nfs/dbraw/zinc/36/49/15/675364915.db2.gz	OWYIGMAFIBHITK-LLVKDONJSA-N	-1	3	353.350	2.198	20	30		FEEDHM
CC#CC[C@@H](CO)[N-]S(=O)(=O)c1cccc(Cl)c1Br	ZINC000645884372	677274195	/nfs/dbraw/zinc/27/41/95/677274195.db2.gz	CRSHDHMSPJBWMC-VIFPVBQESA-N	-1	3	366.664	2.155	20	30		FEEDHM
CCCC[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N[C@H]1CC1(C)C	ZINC000839816351	680781073	/nfs/dbraw/zinc/78/10/73/680781073.db2.gz	HIZUQDVSCKWZFH-HIFRSBDPSA-N	-1	3	363.483	2.199	20	30		FEEDHM
C#CCOc1ccccc1[C@@H](C)OC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C	ZINC000764637944	680817619	/nfs/dbraw/zinc/81/76/19/680817619.db2.gz	FMKJNDYHVRRDSQ-CJNGLKHVSA-N	-1	3	367.467	2.267	20	30		FEEDHM
C=CC[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C)c1)c1ccncc1	ZINC000752416466	680241276	/nfs/dbraw/zinc/24/12/76/680241276.db2.gz	ZXKKHEKUYJYGPJ-HNNXBMFYSA-N	-1	3	363.414	2.176	20	30		FEEDHM
CSc1ccc([O-])c(C(=O)N2CCN(c3ccc(C#N)nc3)CC2)c1	ZINC000834732481	680261380	/nfs/dbraw/zinc/26/13/80/680261380.db2.gz	DORNVHGVTYDMNX-UHFFFAOYSA-N	-1	3	354.435	2.343	20	30		FEEDHM
COc1cc(C)nc(N=NCc2cc(O)c([O-])c(Br)c2)n1	ZINC000757585135	680527050	/nfs/dbraw/zinc/52/70/50/680527050.db2.gz	YFGMGCUAPHZGGI-UHFFFAOYSA-N	-1	3	353.176	2.413	20	30		FEEDHM
COC(=O)c1sc(S(=O)(=O)[N-]CC2(C#N)CCC2)c(C)c1Cl	ZINC000841573577	680900924	/nfs/dbraw/zinc/90/09/24/680900924.db2.gz	ZCMPGUAQDWOSDP-UHFFFAOYSA-N	-1	3	362.860	2.469	20	30		FEEDHM
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)OC(=O)c1ccc(N)c(Cl)c1[O-]	ZINC000845192918	681109950	/nfs/dbraw/zinc/10/99/50/681109950.db2.gz	IIDMDSAUPQJYEJ-ABKXIKBNSA-N	-1	3	353.806	2.228	20	30		FEEDHM
C#C[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1F)[C@H]1CCCO1	ZINC000773053197	681122795	/nfs/dbraw/zinc/12/27/95/681122795.db2.gz	FDQVPOYGMZCQSM-NWDGAFQWSA-N	-1	3	362.220	2.047	20	30		FEEDHM
C#C[C@@H](NC(=O)NCc1ccc([O-])c(Br)c1)[C@H]1CCCO1	ZINC000773558456	681148171	/nfs/dbraw/zinc/14/81/71/681148171.db2.gz	MTMUFVVMFZVBCF-TZMCWYRMSA-N	-1	3	353.216	2.135	20	30		FEEDHM
CCN(C(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21)[C@H](C)C(C)C	ZINC000848100297	681473061	/nfs/dbraw/zinc/47/30/61/681473061.db2.gz	MIZVLDJOOCZBGW-UONOGXRCSA-N	-1	3	365.499	2.397	20	30		FEEDHM
O=C(N[C@H]1CCCN([O-])C1=O)c1cc2c(ccc(F)c2Br)[nH]1	ZINC000848131489	681477694	/nfs/dbraw/zinc/47/76/94/681477694.db2.gz	HKNVZDACWMAHRO-JTQLQIEISA-N	-1	3	370.178	2.180	20	30		FEEDHM
CC(C)[N-]S(=O)(=O)c1cc(C(=O)OCC2(CC#N)CC2)ccc1F	ZINC000849682668	681782076	/nfs/dbraw/zinc/78/20/76/681782076.db2.gz	KZKSKNZBLPNEGV-UHFFFAOYSA-N	-1	3	354.403	2.363	20	30		FEEDHM
CC(C)(C)[C@H]([N-]S(C)(=O)=O)C(=O)OCc1ccc(Cl)cc1C#N	ZINC000780034267	681783590	/nfs/dbraw/zinc/78/35/90/681783590.db2.gz	ILWQRCVRZZBJJA-CYBMUJFWSA-N	-1	3	358.847	2.219	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)OC[C@H]2CCO[C@@H](C)C2)ccc1F	ZINC000782697853	682074580	/nfs/dbraw/zinc/07/45/80/682074580.db2.gz	UHAOWTSDFXKIET-STQMWFEESA-N	-1	3	371.430	2.262	20	30		FEEDHM
CC(C)C(C)(C)CNC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000782713142	682076310	/nfs/dbraw/zinc/07/63/10/682076310.db2.gz	YQASRFKWSZGZMQ-ZDUSSCGKSA-N	-1	3	365.499	2.302	20	30		FEEDHM
CSCCOC(=O)[C@@H](CC(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000916612028	685526155	/nfs/dbraw/zinc/52/61/55/685526155.db2.gz	YYORRSWLZIFBQQ-CYBMUJFWSA-N	-1	3	370.496	2.046	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H](CC#N)C2)ccc1F	ZINC000855260404	682645273	/nfs/dbraw/zinc/64/52/73/682645273.db2.gz	ZDIBXIBECDAHTC-CYBMUJFWSA-N	-1	3	365.430	2.056	20	30		FEEDHM
C=CCCO[N-]C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1	ZINC000856029737	682735952	/nfs/dbraw/zinc/73/59/52/682735952.db2.gz	AWNSMYIUNQCISC-ZDUSSCGKSA-N	-1	3	358.485	2.081	20	30		FEEDHM
C#CC[C@@H](Cc1ccccc1)OC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C	ZINC000793375059	682885973	/nfs/dbraw/zinc/88/59/73/682885973.db2.gz	NXYUITVIGJFGBA-JKSUJKDBSA-N	-1	3	351.468	2.128	20	30		FEEDHM
C#CC[C@H](COC)[N-]S(=O)(=O)c1sc(C)cc1Br	ZINC000859427740	683108192	/nfs/dbraw/zinc/10/81/92/683108192.db2.gz	LYFTVGAGYMVZGK-SECBINFHSA-N	-1	3	352.275	2.136	20	30		FEEDHM
N#CCC1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC1	ZINC000797458480	683253314	/nfs/dbraw/zinc/25/33/14/683253314.db2.gz	KHXGNJFIROQEQP-UHFFFAOYSA-N	-1	3	374.216	2.329	20	30		FEEDHM
CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)NCC2(CC#N)CC2)ccc1F	ZINC000797563173	683259470	/nfs/dbraw/zinc/25/94/70/683259470.db2.gz	KZSDISQPFCDQRU-UHFFFAOYSA-N	-1	3	367.446	2.326	20	30		FEEDHM
O=S(=O)(c1cccc(N=Cc2ccc(O)c([O-])c2O)c1)N1CCCC1	ZINC000920946230	683382427	/nfs/dbraw/zinc/38/24/27/683382427.db2.gz	UQVSSTXMSKZNIN-UHFFFAOYSA-N	-1	3	362.407	2.339	20	30		FEEDHM
C[C@H](CC(=O)NC(C)(C)/C=C\Cl)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000928933247	683523876	/nfs/dbraw/zinc/52/38/76/683523876.db2.gz	JHUYYUVPBFSLIR-TYBABMIJSA-N	-1	3	369.874	2.151	20	30		FEEDHM
O=C(Nc1ncc(Cc2cccc(F)c2)s1)N[C@@H]1CCCN([O-])C1=O	ZINC000866107632	684072825	/nfs/dbraw/zinc/07/28/25/684072825.db2.gz	ANGACDFDLORPRL-CYBMUJFWSA-N	-1	3	364.402	2.375	20	30		FEEDHM
C=C[C@H](C)[N-]S(=O)(=O)N=[S@@](C)(=O)c1cccc(Br)c1	ZINC000866950105	684185595	/nfs/dbraw/zinc/18/55/95/684185595.db2.gz	XRGAERDPLDLVIV-YYSFKGJASA-N	-1	3	367.290	2.315	20	30		FEEDHM
CCOC(=O)[C@H](CC=C(C)C)[N-]S(=O)(=O)Cc1ccc(C#N)cc1	ZINC000867758979	684376012	/nfs/dbraw/zinc/37/60/12/684376012.db2.gz	LIGIIGCFJHVHNX-INIZCTEOSA-N	-1	3	350.440	2.266	20	30		FEEDHM
N#Cc1ccc2c(c1)C[C@@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)C2	ZINC000867862020	684412720	/nfs/dbraw/zinc/41/27/20/684412720.db2.gz	KXDJCHKEFZPRBG-ZDUSSCGKSA-N	-1	3	367.352	2.418	20	30		FEEDHM
C=C[C@](C)(O)C(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21	ZINC000871318228	684805083	/nfs/dbraw/zinc/80/50/83/684805083.db2.gz	XGCSKWZMFZSNOZ-BZNIZROVSA-N	-1	3	356.344	2.122	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)NC2(C)CC(F)(F)C2)ccc1F	ZINC000874856953	685683013	/nfs/dbraw/zinc/68/30/13/685683013.db2.gz	PUCJALWHTIHMOV-UHFFFAOYSA-N	-1	3	362.373	2.208	20	30		FEEDHM
O=C(N[C@H](c1cccc(F)c1F)C(F)(F)F)N[C@H]1CCCN([O-])C1=O	ZINC000879272025	686784840	/nfs/dbraw/zinc/78/48/40/686784840.db2.gz	KLPVXWRMABIBPR-GXSJLCMTSA-N	-1	3	367.274	2.248	20	30		FEEDHM
COCc1ccc(NC(=O)N[C@@H]2CCCN([O-])C2=O)cc1C(F)(F)F	ZINC000880099568	686998698	/nfs/dbraw/zinc/99/86/98/686998698.db2.gz	PUZAHTMGYYHXRV-GFCCVEGCSA-N	-1	3	361.320	2.354	20	30		FEEDHM
C=CC[S@](=O)(=NC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C)c1ccccc1	ZINC000891379299	689056763	/nfs/dbraw/zinc/05/67/63/689056763.db2.gz	CQUILFMNDFJSRC-LFPIHBKWSA-N	-1	3	372.512	2.190	20	30		FEEDHM
C=C1CCN(C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)CC1	ZINC000893797897	689406314	/nfs/dbraw/zinc/40/63/14/689406314.db2.gz	AQOQTOOWUAMUDT-UHFFFAOYSA-N	-1	3	363.892	2.041	20	30		FEEDHM
N#Cc1ccc(C(F)(F)F)nc1N[C@H]1CCN(c2cc(=O)[n-]cn2)C1	ZINC000897344981	690009310	/nfs/dbraw/zinc/00/93/10/690009310.db2.gz	ICSALHDKOYGTRI-JTQLQIEISA-N	-1	3	350.304	2.158	20	30		FEEDHM
O=C(c1ccc(S(=O)(=O)N2CCCC2)o1)N([O-])Cc1ccc(F)cc1	ZINC000904175663	691010363	/nfs/dbraw/zinc/01/03/63/691010363.db2.gz	VXVHGWJNUAMORX-UHFFFAOYSA-N	-1	3	368.386	2.235	20	30		FEEDHM
O=C(CCCS(=O)(=O)N1CCCC1)N([O-])Cc1ccccc1Cl	ZINC000904189029	691011443	/nfs/dbraw/zinc/01/14/43/691011443.db2.gz	WVYZKJBFTBNTBO-UHFFFAOYSA-N	-1	3	360.863	2.264	20	30		FEEDHM
O=C([C@@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F)N([O-])Cc1ccccc1Cl	ZINC000904192417	691011495	/nfs/dbraw/zinc/01/14/95/691011495.db2.gz	KZJQCUPUKTXLJW-ZJUUUORDSA-N	-1	3	371.764	2.281	20	30		FEEDHM
C=C(Cl)C[C@H](NC(=O)NCCCN1CCc2ccccc2C1)C(=O)[O-]	ZINC000908821750	691735846	/nfs/dbraw/zinc/73/58/46/691735846.db2.gz	PSWBARLTNXITDL-INIZCTEOSA-N	-1	3	365.861	2.330	20	30		FEEDHM
C#CCN1CCC(C(=O)N[C@@](C)(Cc2ccc(Cl)cc2)C(=O)[O-])CC1	ZINC000910310794	691914109	/nfs/dbraw/zinc/91/41/09/691914109.db2.gz	FCGJCJFYPGSIHF-IBGZPJMESA-N	-1	3	362.857	2.187	20	30		FEEDHM
C=C(C)CN1CCC(NC(=O)N[C@@H](C(=O)[O-])c2ccc(OC)cc2)CC1	ZINC000908945159	939360276	/nfs/dbraw/zinc/36/02/76/939360276.db2.gz	BJBFDFYGWXYRRA-QGZVFWFLSA-N	-1	3	361.442	2.161	20	30		FEEDHM
C=C(C)CN1CCC(NC(=O)N[C@H](C(=O)[O-])c2cc(F)ccc2F)CC1	ZINC000908945175	939360442	/nfs/dbraw/zinc/36/04/42/939360442.db2.gz	BQAALMNAKQBFAB-INIZCTEOSA-N	-1	3	367.396	2.430	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)OCCOCC(C)C)ccc1F	ZINC000800128931	674022078	/nfs/dbraw/zinc/02/20/78/674022078.db2.gz	KCUMDGFUXIBWSN-UHFFFAOYSA-N	-1	3	359.419	2.119	20	30		FEEDHM
CN(C)C[C@H]([N-]S(=O)(=O)c1cccnc1C#N)c1ccc(Cl)cc1	ZINC000549247592	674028345	/nfs/dbraw/zinc/02/83/45/674028345.db2.gz	VOPBLQDYRMGHJS-HNNXBMFYSA-N	-1	3	364.858	2.188	20	30		FEEDHM
C=C(C)CN(CC)C(=O)CN1CCC(C(=O)Nc2ccccc2[O-])CC1	ZINC000015042983	539610441	/nfs/dbraw/zinc/61/04/41/539610441.db2.gz	UNCBXBDZGVXPTI-UHFFFAOYSA-N	-1	3	359.470	2.467	20	30		FEEDHM
N#Cc1cccc(NC(=O)CC[N-]S(=O)(=O)c2ccc(F)c(F)c2)c1	ZINC000015738932	539622691	/nfs/dbraw/zinc/62/26/91/539622691.db2.gz	KORNMWDHCRETQK-UHFFFAOYSA-N	-1	3	365.361	2.144	20	30		FEEDHM
COc1ccc(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)c([O-])c1	ZINC000017842983	539644154	/nfs/dbraw/zinc/64/41/54/539644154.db2.gz	KRGVQYIMVQOMDW-UHFFFAOYSA-N	-1	3	351.406	2.230	20	30		FEEDHM
CN(CCCc1[nH]nc(N)c1C#N)C(=O)CCCc1ccc([O-])c(F)c1	ZINC000530338161	539945213	/nfs/dbraw/zinc/94/52/13/539945213.db2.gz	ZZMNDCQMAHNSAB-UHFFFAOYSA-N	-1	3	359.405	2.122	20	30		FEEDHM
N#Cc1ccc(CSc2nnc([N-]C(=O)c3nccnc3N)s2)cc1	ZINC000042097666	540050986	/nfs/dbraw/zinc/05/09/86/540050986.db2.gz	JWXVISRGHQQUSI-UHFFFAOYSA-N	-1	3	369.435	2.327	20	30		FEEDHM
C[C@@]1(c2ccc(NC(=O)CCc3ccc(C#N)cc3)cc2)NC(=O)[N-]C1=O	ZINC000048167398	540348512	/nfs/dbraw/zinc/34/85/12/540348512.db2.gz	AIUGNOSTNYJVHV-FQEVSTJZSA-N	-1	3	362.389	2.184	20	30		FEEDHM
Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NCc1cccc(C#N)c1	ZINC000065749760	541257700	/nfs/dbraw/zinc/25/77/00/541257700.db2.gz	UZRDWXLEAXFOQJ-UHFFFAOYSA-N	-1	3	373.416	2.261	20	30		FEEDHM
COc1ccc(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)c([O-])c1	ZINC000074681908	542112439	/nfs/dbraw/zinc/11/24/39/542112439.db2.gz	PNBVYDHFFITTPM-MRXNPFEDSA-N	-1	3	351.406	2.251	20	30		FEEDHM
N#Cc1cccc(C(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)c1	ZINC000076920624	542330058	/nfs/dbraw/zinc/33/00/58/542330058.db2.gz	SZVAPIZIRKAHAU-UHFFFAOYSA-N	-1	3	359.382	2.390	20	30		FEEDHM
N#Cc1cc(NC(=O)CC[N-]S(=O)(=O)c2ccccc2F)ccc1F	ZINC000102879464	543083838	/nfs/dbraw/zinc/08/38/38/543083838.db2.gz	AJEHHZFATXRFST-UHFFFAOYSA-N	-1	3	365.361	2.144	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCS[C@@H](C)[C@@H]2C)ccc1F	ZINC000118294708	543649700	/nfs/dbraw/zinc/64/97/00/543649700.db2.gz	VWGWDGAAZPFVIV-RYUDHWBXSA-N	-1	3	372.487	2.256	20	30		FEEDHM
C[C@H]1CCC[C@](C#N)(NC(=O)CC[N-]S(=O)(=O)c2ccccc2F)C1	ZINC000116812489	543617079	/nfs/dbraw/zinc/61/70/79/543617079.db2.gz	QHKKMIYHPUGYIM-GUYCJALGSA-N	-1	3	367.446	2.083	20	30		FEEDHM
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cnc2c(cnn2C)c1[O-]	ZINC000119188218	543665337	/nfs/dbraw/zinc/66/53/37/543665337.db2.gz	UKEZESGYCPRSCU-UHFFFAOYSA-N	-1	3	367.365	2.411	20	30		FEEDHM
N#CCCCCSc1nc(C2CC2)nc2c1c(=O)[n-]c(=O)n2C1CC1	ZINC000119546755	543668762	/nfs/dbraw/zinc/66/87/62/543668762.db2.gz	FLHDGJIGJJSOMY-UHFFFAOYSA-N	-1	3	357.439	2.478	20	30		FEEDHM
C=CCCS(=O)(=O)[N-]c1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1	ZINC000120101073	543675516	/nfs/dbraw/zinc/67/55/16/543675516.db2.gz	AONVDXSWJKSMLH-OKILXGFUSA-N	-1	3	352.456	2.254	20	30		FEEDHM
COc1ccc(O[C@H](C)C[N-]S(=O)(=O)c2ccc(F)cc2C#N)cc1	ZINC000122671586	543717109	/nfs/dbraw/zinc/71/71/09/543717109.db2.gz	TXBMJTFUYYVDFP-GFCCVEGCSA-N	-1	3	364.398	2.452	20	30		FEEDHM
C[C@@H](CC[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)[S@@](C)=O	ZINC000124144988	543803086	/nfs/dbraw/zinc/80/30/86/543803086.db2.gz	LTJKIWQYIQUHMD-AUADJRAKSA-N	-1	3	368.402	2.012	20	30		FEEDHM
N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@H]1CCO[C@@]2(CCSC2)C1	ZINC000127581409	544001386	/nfs/dbraw/zinc/00/13/86/544001386.db2.gz	NIIVTLPNSDPJLT-ZFWWWQNUSA-N	-1	3	356.444	2.030	20	30		FEEDHM
C[C@]1(c2cccc(C(=O)Nc3ccc(F)c(C#N)c3)c2)NC(=O)[N-]C1=O	ZINC000132227622	544223954	/nfs/dbraw/zinc/22/39/54/544223954.db2.gz	KTAIQYSUPCPQSZ-GOSISDBHSA-N	-1	3	352.325	2.004	20	30		FEEDHM
N#Cc1cnn(-c2ccc(C(=O)NCc3ccc([O-])c(F)c3)cc2)c1N	ZINC000133192050	544260018	/nfs/dbraw/zinc/26/00/18/544260018.db2.gz	NNTGAUONQQWQSW-UHFFFAOYSA-N	-1	3	351.341	2.101	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](CCO)c1ccccc1	ZINC000150955315	544489910	/nfs/dbraw/zinc/48/99/10/544489910.db2.gz	KFKMUCIFUVANFE-SFHVURJKSA-N	-1	3	353.422	2.036	20	30		FEEDHM
CC(=O)Nc1ccc(CC[N-]S(=O)(=O)c2ccc(C#N)cc2F)cc1	ZINC000151155495	544510609	/nfs/dbraw/zinc/51/06/09/544510609.db2.gz	WQPFECGHMCKXLX-UHFFFAOYSA-N	-1	3	361.398	2.177	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@](C)(CO)C1CCCCC1	ZINC000152868319	544705169	/nfs/dbraw/zinc/70/51/69/544705169.db2.gz	SIXLLFAROZWFCH-FQEVSTJZSA-N	-1	3	359.470	2.244	20	30		FEEDHM
COc1cc(CNc2cnn(-c3ncccc3C#N)c2)c([N+](=O)[O-])cc1[O-]	ZINC000185843385	327935365	/nfs/dbraw/zinc/93/53/65/327935365.db2.gz	DHSVFLCGLYMYLV-UHFFFAOYSA-N	-1	3	366.337	2.373	20	30		FEEDHM
CCO[C@@H]1C[C@](O)(C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)C1(C)C	ZINC000188483507	328090013	/nfs/dbraw/zinc/09/00/13/328090013.db2.gz	WEEPZNQJOPRIMG-ZBFHGGJFSA-N	-1	3	372.874	2.056	20	30		FEEDHM
N#Cc1ccc(CN2CCCN(C(=O)c3ccc(O)cc3[O-])CC2)cc1	ZINC000192945273	328348439	/nfs/dbraw/zinc/34/84/39/328348439.db2.gz	BRMHOKLBYKXKAJ-UHFFFAOYSA-N	-1	3	351.406	2.318	20	30		FEEDHM
CSc1[n-]c(=O)c(C(=O)N(CCN(C)C)Cc2ccco2)cc1C#N	ZINC000088463356	325294958	/nfs/dbraw/zinc/29/49/58/325294958.db2.gz	RHPPSCPZAHRBRP-UHFFFAOYSA-N	-1	3	360.439	2.178	20	30		FEEDHM
Cc1nn(C)c(C)c1C[C@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1C#N	ZINC000122278499	326390678	/nfs/dbraw/zinc/39/06/78/326390678.db2.gz	MTNJYWVXTMBXCQ-JTQLQIEISA-N	-1	3	366.874	2.472	20	30		FEEDHM
CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2F)cc1F	ZINC000135368090	326640146	/nfs/dbraw/zinc/64/01/46/326640146.db2.gz	CODYAWHPZNGBDB-UHFFFAOYSA-N	-1	3	372.374	2.041	20	30		FEEDHM
COc1ccc(CC[N-]S(=O)(=O)c2ccc(F)cc2C#N)cc1OC	ZINC000156070798	545597185	/nfs/dbraw/zinc/59/71/85/545597185.db2.gz	LBVSCJKAJNRVDN-UHFFFAOYSA-N	-1	3	364.398	2.236	20	30		FEEDHM
COc1ncccc1C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N	ZINC000156366154	545621428	/nfs/dbraw/zinc/62/14/28/545621428.db2.gz	QJZTULBXTDWJIH-UHFFFAOYSA-N	-1	3	371.340	2.459	20	30		FEEDHM
CCCNC(=O)C1([N-]S(=O)(=O)c2ccc(F)cc2C#N)CCCCC1	ZINC000157056529	545694256	/nfs/dbraw/zinc/69/42/56/545694256.db2.gz	LLWUDJOCLYEEDY-UHFFFAOYSA-N	-1	3	367.446	2.205	20	30		FEEDHM
COC(=O)c1sccc1S(=O)(=O)[N-]Cc1ccc(C#N)cc1F	ZINC000157298855	545725072	/nfs/dbraw/zinc/72/50/72/545725072.db2.gz	PAAFUCRFDGOYBH-UHFFFAOYSA-N	-1	3	354.384	2.024	20	30		FEEDHM
COC(=O)C1CCC([N-]S(=O)(=O)c2cccc(Cl)c2C#N)CC1	ZINC000157324125	545726992	/nfs/dbraw/zinc/72/69/92/545726992.db2.gz	CVCCVUJWLYKAIV-UHFFFAOYSA-N	-1	3	356.831	2.222	20	30		FEEDHM
CC[C@H]1CCCCN1CC[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000157544312	545753598	/nfs/dbraw/zinc/75/35/98/545753598.db2.gz	FRVPUKXBKMAVIY-ZDUSSCGKSA-N	-1	3	366.443	2.009	20	30		FEEDHM
C[C@@H](C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)Oc1ccccc1	ZINC000157562655	545754690	/nfs/dbraw/zinc/75/46/90/545754690.db2.gz	OEKXPIHPCQUCMW-LBPRGKRZSA-N	-1	3	361.379	2.212	20	30		FEEDHM
C=C(C)CN(C)C(=O)c1cc(C2CC2)nc2c1c(=O)[n-]c(=O)n2CCC	ZINC000180383335	547096622	/nfs/dbraw/zinc/09/66/22/547096622.db2.gz	PZCYWMCHRRUELA-UHFFFAOYSA-N	-1	3	356.426	2.020	20	30		FEEDHM
O=[N+]([O-])c1ccc([O-])c(/C=N/Cc2ccccc2CN2CC[C@@H](O)C2)c1	ZINC000180422715	547105296	/nfs/dbraw/zinc/10/52/96/547105296.db2.gz	UCQXEMXEMFTJOM-JLWFYQMASA-N	-1	3	355.394	2.486	20	30		FEEDHM
Cc1nc(C)c(CCC(=O)NCCSCc2ccccc2C#N)c(=O)[n-]1	ZINC000183501623	547672631	/nfs/dbraw/zinc/67/26/31/547672631.db2.gz	CPOVGJVSLYDCNP-UHFFFAOYSA-N	-1	3	370.478	2.241	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C(=O)N1CCCC[C@@H]1C	ZINC000183632615	547692579	/nfs/dbraw/zinc/69/25/79/547692579.db2.gz	GNBAQDIJNVELQJ-RYUDHWBXSA-N	-1	3	369.874	2.279	20	30		FEEDHM
C=C(C)C[C@H](C)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1	ZINC000186085027	548082102	/nfs/dbraw/zinc/08/21/02/548082102.db2.gz	VXPQCZJGSJUQKI-JTQLQIEISA-N	-1	3	350.893	2.398	20	30		FEEDHM
CC[C@H](CC#N)[N-]S(=O)(=O)c1cc(Br)cc2c1OCC2	ZINC000186424387	548133120	/nfs/dbraw/zinc/13/31/20/548133120.db2.gz	NYYYAYNSQSAPIG-LLVKDONJSA-N	-1	3	359.245	2.355	20	30		FEEDHM
COc1ccc(C([O-])=C(C#N)c2cnc3ccccc3n2)cc1-n1cnnn1	ZINC000190958293	548337853	/nfs/dbraw/zinc/33/78/53/548337853.db2.gz	ZSFMDOWNSPZLBF-ZDUSSCGKSA-N	-1	3	371.360	2.104	20	30		FEEDHM
Cn1nnnc1-c1cccc(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)c1	ZINC000486499378	561349076	/nfs/dbraw/zinc/34/90/76/561349076.db2.gz	RYCRAAWXROAXPB-UHFFFAOYSA-N	-1	3	374.813	2.203	20	30		FEEDHM
COC(=O)CN1CCN(c2ccc(/N=C/c3cccc([O-])c3O)cc2)CC1	ZINC000264072388	549975435	/nfs/dbraw/zinc/97/54/35/549975435.db2.gz	RYBAAJFTTWAURQ-FYJGNVAPSA-N	-1	3	369.421	2.143	20	30		FEEDHM
Cc1ncc(CO)c(/C=N/[C@H]2CCN(c3c(F)cccc3F)C2=O)c1[O-]	ZINC000267943346	550035973	/nfs/dbraw/zinc/03/59/73/550035973.db2.gz	VKONQIJJDZKGPK-WONWXIRYSA-N	-1	3	361.348	2.091	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](CO)c1ccc(F)cc1	ZINC000271332115	550365918	/nfs/dbraw/zinc/36/59/18/550365918.db2.gz	QKZRRLOIRNTFSP-QGZVFWFLSA-N	-1	3	357.385	2.197	20	30		FEEDHM
C=CCS(=O)(=O)CC[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl	ZINC000272833658	550472511	/nfs/dbraw/zinc/47/25/11/550472511.db2.gz	LNQXGWKGSRNROG-UHFFFAOYSA-N	-1	3	372.295	2.181	20	30		FEEDHM
CN1CC=C(C[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC1	ZINC000273951305	550517114	/nfs/dbraw/zinc/51/71/14/550517114.db2.gz	MVFHQRCDSAFSGQ-UHFFFAOYSA-N	-1	3	359.373	2.117	20	30		FEEDHM
C=CCN(C)S(=O)(=O)c1ccc(NC([O-])=NO[C@H]2CCCCO2)cc1	ZINC000274237349	550529158	/nfs/dbraw/zinc/52/91/58/550529158.db2.gz	TTZBWJIDOMHUFY-HNNXBMFYSA-N	-1	3	369.443	2.073	20	30		FEEDHM
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[N-]O[C@H]2CCCCO2)cc1	ZINC000274237349	550529160	/nfs/dbraw/zinc/52/91/60/550529160.db2.gz	TTZBWJIDOMHUFY-HNNXBMFYSA-N	-1	3	369.443	2.073	20	30		FEEDHM
CC[C@H]([N-]S(=O)(=O)c1cccnc1C#N)[C@H](O)c1c(F)cccc1F	ZINC000276944617	550614044	/nfs/dbraw/zinc/61/40/44/550614044.db2.gz	BCMZPHBRULWZSZ-LRDDRELGSA-N	-1	3	367.377	2.022	20	30		FEEDHM
CCC[C@@H](CNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C(=O)OCC	ZINC000279051202	550850882	/nfs/dbraw/zinc/85/08/82/550850882.db2.gz	AWCRTHMJOUBGNX-AWEZNQCLSA-N	-1	3	361.442	2.304	20	30		FEEDHM
COC(=O)c1ccc(F)c(S(=O)(=O)[N-]CC2CCC(C#N)CC2)c1	ZINC000281717683	551134353	/nfs/dbraw/zinc/13/43/53/551134353.db2.gz	BGXWKIIHPAWWSX-UHFFFAOYSA-N	-1	3	354.403	2.221	20	30		FEEDHM
N#CC1(CS(=O)(=O)[N-]C[C@H](c2ccco2)N2CCCC2)CCCC1	ZINC000498909373	561537558	/nfs/dbraw/zinc/53/75/58/561537558.db2.gz	WHOJACVVVGKBDY-OAHLLOKOSA-N	-1	3	351.472	2.420	20	30		FEEDHM
COC(=O)CCCO[N-]C(=O)Nc1ccc(C#N)c(Br)c1	ZINC000288845342	552223753	/nfs/dbraw/zinc/22/37/53/552223753.db2.gz	NYLDMRJLUZEMCF-UHFFFAOYSA-N	-1	3	356.176	2.327	20	30		FEEDHM
C=CCC(F)(F)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1	ZINC000293416314	552821522	/nfs/dbraw/zinc/82/15/22/552821522.db2.gz	HORJMSQWBFWCPP-UHFFFAOYSA-N	-1	3	358.819	2.007	20	30		FEEDHM
Cc1ncc(CO)c(/C=N/Cc2ccc(CN3CCCC3=O)cc2)c1[O-]	ZINC000298757658	553468847	/nfs/dbraw/zinc/46/88/47/553468847.db2.gz	AZYGPMLZSKRMDN-SRZZPIQSSA-N	-1	3	353.422	2.329	20	30		FEEDHM
COCC[C@@H]([N-]S(=O)(=O)Cc1cc(C#N)ccc1F)c1ccco1	ZINC000503710222	561647459	/nfs/dbraw/zinc/64/74/59/561647459.db2.gz	WVRMUWHIKYBSNF-OAHLLOKOSA-N	-1	3	352.387	2.488	20	30		FEEDHM
N#Cc1ccsc1[N-]C(=O)C(=O)N=c1ccn(C2CCSCC2)[nH]1	ZINC000602056135	553509711	/nfs/dbraw/zinc/50/97/11/553509711.db2.gz	PRDMTDNLZWZWEV-UHFFFAOYSA-N	-1	3	361.452	2.462	20	30		FEEDHM
C=C[C@@](C)(CCOC)C(=O)N=c1[n-]n(C)cc1I	ZINC000602391527	553574763	/nfs/dbraw/zinc/57/47/63/553574763.db2.gz	UQHJOSKTYQJSDI-LBPRGKRZSA-N	-1	3	363.199	2.192	20	30		FEEDHM
C=CCn1c(=O)[n-]nc1SCCCN1CCN(c2ccccc2)CC1	ZINC000504955146	561664532	/nfs/dbraw/zinc/66/45/32/561664532.db2.gz	HPIVVSFDMPTZQV-UHFFFAOYSA-N	-1	3	359.499	2.474	20	30		FEEDHM
Cc1ccc(N2CCC[C@H](NC(=O)c3cc(F)cc4nn[n-]c43)C2)nn1	ZINC000328656120	553802971	/nfs/dbraw/zinc/80/29/71/553802971.db2.gz	NLUFLGGVQZBYCR-LBPRGKRZSA-N	-1	3	355.377	2.169	20	30		FEEDHM
Cc1ccc(N2CCC[C@H](NC(=O)c3cc(F)cc4[n-]nnc43)C2)nn1	ZINC000328656120	553802973	/nfs/dbraw/zinc/80/29/73/553802973.db2.gz	NLUFLGGVQZBYCR-LBPRGKRZSA-N	-1	3	355.377	2.169	20	30		FEEDHM
Cc1ccc(N2CCC[C@H](NC(=O)c3cc(F)cc4n[n-]nc43)C2)nn1	ZINC000328656120	553802976	/nfs/dbraw/zinc/80/29/76/553802976.db2.gz	NLUFLGGVQZBYCR-LBPRGKRZSA-N	-1	3	355.377	2.169	20	30		FEEDHM
C[N-]S(=O)(=O)c1ccc(CNC(=O)c2cc(C#N)ccc2Cl)s1	ZINC000505995432	561686977	/nfs/dbraw/zinc/68/69/77/561686977.db2.gz	JBHHQERJEWIZQE-UHFFFAOYSA-N	-1	3	369.855	2.111	20	30		FEEDHM
Cc1noc(C)c1CN1C[C@@H](F)C[C@H]1CNC(=O)c1csc(=O)[n-]1	ZINC000329919726	554031499	/nfs/dbraw/zinc/03/14/99/554031499.db2.gz	DLBXVSHWOHHVPU-QWRGUYRKSA-N	-1	3	354.407	2.371	20	30		FEEDHM
N#Cc1cnccc1[N-]C(=O)c1cc(Cn2cc(Br)cn2)on1	ZINC000507712599	561738618	/nfs/dbraw/zinc/73/86/18/561738618.db2.gz	CPUJCXFWJVYUHF-UHFFFAOYSA-N	-1	3	373.170	2.201	20	30		FEEDHM
CC(C)(C)C1CCC(O)(C[N-]S(=O)(=O)c2cccnc2C#N)CC1	ZINC000331185971	554227501	/nfs/dbraw/zinc/22/75/01/554227501.db2.gz	TVCBFKJYMZMKNI-UHFFFAOYSA-N	-1	3	351.472	2.199	20	30		FEEDHM
C[N-]S(=O)(=O)c1cc(C(=O)NC[C@]2(O)CCCC(C)(C)C2)c(C)o1	ZINC000331241054	554235278	/nfs/dbraw/zinc/23/52/78/554235278.db2.gz	JXOJOKKFSIGBCM-INIZCTEOSA-N	-1	3	358.460	2.132	20	30		FEEDHM
N#Cc1cccc(NCC[N-]S(=O)(=O)c2ccc(F)cc2Cl)n1	ZINC000509524688	561803774	/nfs/dbraw/zinc/80/37/74/561803774.db2.gz	NASWGAJLRHAEEB-UHFFFAOYSA-N	-1	3	354.794	2.136	20	30		FEEDHM
C[C@H]1CCC[C@@](C#N)([N-]S(=O)(=O)c2cc3oc(=O)[nH]c3cc2F)C1	ZINC000332645251	554490177	/nfs/dbraw/zinc/49/01/77/554490177.db2.gz	HANHJUYGDMRONE-BJOHPYRUSA-N	-1	3	353.375	2.011	20	30		FEEDHM
CC[C@H](C)[C@H]([N-]S(C)(=O)=O)C(=O)Nc1cccc(OCCCC#N)c1	ZINC000510395821	561833377	/nfs/dbraw/zinc/83/33/77/561833377.db2.gz	JVEHHCQIRQZVIL-BBRMVZONSA-N	-1	3	367.471	2.272	20	30		FEEDHM
Cn1cc(C#N)c(=NC(=O)NC[C@H]2CCCCN2Cc2ccccc2)[n-]1	ZINC000610564462	554530230	/nfs/dbraw/zinc/53/02/30/554530230.db2.gz	ONFRRWXRCJIQFJ-QGZVFWFLSA-N	-1	3	352.442	2.468	20	30		FEEDHM
N#CCC1(CS(=O)(=O)[N-][C@H]2CCN(c3ccccc3Cl)C2=O)CC1	ZINC000333392316	554608747	/nfs/dbraw/zinc/60/87/47/554608747.db2.gz	HEIXALYOINIGDU-ZDUSSCGKSA-N	-1	3	367.858	2.059	20	30		FEEDHM
C[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N1CCCC12CCCC2	ZINC000365559957	555608933	/nfs/dbraw/zinc/60/89/33/555608933.db2.gz	LHDRMDPKLFMORI-CYBMUJFWSA-N	-1	3	361.467	2.049	20	30		FEEDHM
C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O	ZINC000513543772	561942467	/nfs/dbraw/zinc/94/24/67/561942467.db2.gz	YZCILBVPFKBWHO-UHFFFAOYSA-N	-1	3	369.377	2.266	20	30		FEEDHM
CC(C)(C#N)CCS(=O)(=O)[N-][C@H]1CCN(c2ccc(Cl)cc2)C1=O	ZINC000367691082	556115253	/nfs/dbraw/zinc/11/52/53/556115253.db2.gz	ZZPNBEXPWHSUGZ-AWEZNQCLSA-N	-1	3	369.874	2.305	20	30		FEEDHM
N#Cc1cc(Br)cc(S(=O)(=O)[N-]c2ccc[nH]c2=O)c1	ZINC000515364025	562007126	/nfs/dbraw/zinc/00/71/26/562007126.db2.gz	ZWCKOQXRCORLRY-UHFFFAOYSA-N	-1	3	354.185	2.222	20	30		FEEDHM
COCCOc1ccc(C#N)cc1[N-]S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1	ZINC000517053609	562073771	/nfs/dbraw/zinc/07/37/71/562073771.db2.gz	OPRUHLWWMUNHLQ-KBPBESRZSA-N	-1	3	367.471	2.218	20	30		FEEDHM
N#C[C@@]1(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)CCc2ccccc2C1	ZINC000371500915	557202040	/nfs/dbraw/zinc/20/20/40/557202040.db2.gz	SLWHEUHHSZLWJQ-HXUWFJFHSA-N	-1	3	358.405	2.182	20	30		FEEDHM
N#C[C@@]1(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)CCc2ccccc2C1	ZINC000371500915	557202043	/nfs/dbraw/zinc/20/20/43/557202043.db2.gz	SLWHEUHHSZLWJQ-HXUWFJFHSA-N	-1	3	358.405	2.182	20	30		FEEDHM
C=C[C@@](C)(CCOC)C(=O)NC1CCN(C(=O)c2cccc([O-])c2)CC1	ZINC000372640911	557528064	/nfs/dbraw/zinc/52/80/64/557528064.db2.gz	RWDZYQZLNCQWTQ-FQEVSTJZSA-N	-1	3	360.454	2.342	20	30		FEEDHM
CC(C)n1ncc2c1C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)CC2	ZINC000372774850	557560072	/nfs/dbraw/zinc/56/00/72/557560072.db2.gz	FRKWVQVVWSXSSD-OAHLLOKOSA-N	-1	3	362.430	2.311	20	30		FEEDHM
C=CCn1c(=O)[n-]nc1SC[C@@H]1Cn2c(nnc2-c2cccnc2)S1	ZINC000373198356	557648272	/nfs/dbraw/zinc/64/82/72/557648272.db2.gz	OTXXZCRIHBPIDF-NSHDSACASA-N	-1	3	373.467	2.090	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-][C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)s1	ZINC000373862976	557775669	/nfs/dbraw/zinc/77/56/69/557775669.db2.gz	NZVLJXDGKBJUDW-OLZOCXBDSA-N	-1	3	367.496	2.079	20	30		FEEDHM
CN1CC[C@@H](C[N-]S(=O)(=O)c2ccc(C#N)o2)[C@@H]1c1cccs1	ZINC000376265103	558149682	/nfs/dbraw/zinc/14/96/82/558149682.db2.gz	KDKBSEZGSISDGC-XHDPSFHLSA-N	-1	3	351.453	2.184	20	30		FEEDHM
Cn1cc([C@@H]([N-]S(=O)(=O)c2ccc(C#N)o2)c2ccc(F)cc2)cn1	ZINC000376317265	558156992	/nfs/dbraw/zinc/15/69/92/558156992.db2.gz	UCDNCCQJMRYOAB-INIZCTEOSA-N	-1	3	360.370	2.092	20	30		FEEDHM
Cn1ccc([C@@H]([N-]S(=O)(=O)c2ccc(C#N)o2)c2ccc(F)cc2)n1	ZINC000376385447	558166555	/nfs/dbraw/zinc/16/65/55/558166555.db2.gz	PMTZVYPJIWUSBD-INIZCTEOSA-N	-1	3	360.370	2.092	20	30		FEEDHM
C[C@]1(c2ccc(CNc3c(C#N)nnc4ccccc43)cc2)NC(=O)[N-]C1=O	ZINC000524840305	562235774	/nfs/dbraw/zinc/23/57/74/562235774.db2.gz	UJVGKVDTEKXQOF-HXUWFJFHSA-N	-1	3	372.388	2.168	20	30		FEEDHM
C[C@@]1(c2ccc(CNc3c(C#N)nnc4ccccc43)cc2)NC(=O)[N-]C1=O	ZINC000524840298	562235804	/nfs/dbraw/zinc/23/58/04/562235804.db2.gz	UJVGKVDTEKXQOF-FQEVSTJZSA-N	-1	3	372.388	2.168	20	30		FEEDHM
CC(C)(C)c1csc([N-]C(=O)c2ccnc(S(C)(=O)=O)n2)c1C#N	ZINC000410919834	558823865	/nfs/dbraw/zinc/82/38/65/558823865.db2.gz	ANDLAVCPPYIXKI-UHFFFAOYSA-N	-1	3	364.452	2.363	20	30		FEEDHM
C=CCNC(=O)c1cccc(S(=O)(=O)[N-][C@@H](C(C)C)C(F)(F)F)c1	ZINC000414480648	559167881	/nfs/dbraw/zinc/16/78/81/559167881.db2.gz	VBNJWDNTWZGVIF-ZDUSSCGKSA-N	-1	3	364.389	2.468	20	30		FEEDHM
CC(C)OCCC[N-]S(=O)(=O)c1cc(Br)ccc1C#N	ZINC000416357032	559307343	/nfs/dbraw/zinc/30/73/43/559307343.db2.gz	CVHLCRASMYCPDU-UHFFFAOYSA-N	-1	3	361.261	2.414	20	30		FEEDHM
CCOCCCC[N-]S(=O)(=O)c1cc(Br)ccc1C#N	ZINC000416372085	559308088	/nfs/dbraw/zinc/30/80/88/559308088.db2.gz	OKYBPYZDQAFAOP-UHFFFAOYSA-N	-1	3	361.261	2.416	20	30		FEEDHM
CC1(C[N-]S(=O)(=O)c2cc(Br)ccc2C#N)CCOCC1	ZINC000416421581	559311910	/nfs/dbraw/zinc/31/19/10/559311910.db2.gz	DMXMFXAQVRJHHH-UHFFFAOYSA-N	-1	3	373.272	2.416	20	30		FEEDHM
N#Cc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1C[C@@H]2OCCC[C@@H]12	ZINC000416475854	559316049	/nfs/dbraw/zinc/31/60/49/559316049.db2.gz	WBOOCQDTUCYKHI-XQQFMLRXSA-N	-1	3	371.256	2.167	20	30		FEEDHM
N#Cc1csc(CNc2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)n1	ZINC000419747714	559457897	/nfs/dbraw/zinc/45/78/97/559457897.db2.gz	DPMAOXUKOWMNEJ-UHFFFAOYSA-N	-1	3	352.416	2.207	20	30		FEEDHM
COC(=O)[C@H](CNC(=O)[C@@]1(C#N)CC12CCCC2)Cc1ccc([O-])c(F)c1	ZINC000422047228	559562754	/nfs/dbraw/zinc/56/27/54/559562754.db2.gz	UXQAFGVIJGGBDP-XOBRGWDASA-N	-1	3	374.412	2.453	20	30		FEEDHM
C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1ccc(Br)cc1F	ZINC000425178317	559689751	/nfs/dbraw/zinc/68/97/51/559689751.db2.gz	KXQXWZXMNGBOSR-CABZTGNLSA-N	-1	3	364.236	2.458	20	30		FEEDHM
CCCC[C@H]([N-]S(=O)(=O)c1cccnc1C#N)C(=O)OC(C)(C)C	ZINC000428376196	559774195	/nfs/dbraw/zinc/77/41/95/559774195.db2.gz	QDQLOBMEANQHBF-LBPRGKRZSA-N	-1	3	353.444	2.132	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)c(Br)c1)c1ccon1	ZINC000433882993	559889646	/nfs/dbraw/zinc/88/96/46/559889646.db2.gz	CGAWQYJQANHZCX-MRVPVSSYSA-N	-1	3	356.201	2.348	20	30		FEEDHM
CCOC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(C#N)s1	ZINC000435435975	559923009	/nfs/dbraw/zinc/92/30/09/559923009.db2.gz	CVJOBOMQSUCQMF-CQSZACIVSA-N	-1	3	364.448	2.072	20	30		FEEDHM
CCC(CC)[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)s1)N1CCOCC1	ZINC000435435546	559923080	/nfs/dbraw/zinc/92/30/80/559923080.db2.gz	YLHSYBAMDPFWML-OAHLLOKOSA-N	-1	3	371.528	2.035	20	30		FEEDHM
COc1cccc(O[C@H](C)C[N-]S(=O)(=O)c2ccc(C#N)s2)c1	ZINC000435436850	559923087	/nfs/dbraw/zinc/92/30/87/559923087.db2.gz	HQAFCKDDKFXDDF-LLVKDONJSA-N	-1	3	352.437	2.374	20	30		FEEDHM
CCOC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(C#N)s1	ZINC000435435974	559923111	/nfs/dbraw/zinc/92/31/11/559923111.db2.gz	CVJOBOMQSUCQMF-AWEZNQCLSA-N	-1	3	364.448	2.072	20	30		FEEDHM
C[C@H](O)C[C@H](C[N-]S(=O)(=O)c1ccc(C#N)s1)c1ccccc1	ZINC000435445244	559923381	/nfs/dbraw/zinc/92/33/81/559923381.db2.gz	DLMONDRSYOMXFL-GXTWGEPZSA-N	-1	3	350.465	2.453	20	30		FEEDHM
COc1cc(OCC(=O)c2ccc([N-]S(C)(=O)=O)cc2)ccc1C#N	ZINC000436247587	559938282	/nfs/dbraw/zinc/93/82/82/559938282.db2.gz	PMIFPUASMIBQSV-UHFFFAOYSA-N	-1	3	360.391	2.200	20	30		FEEDHM
N#Cc1c(Cl)cccc1S(=O)(=O)[N-]Cc1noc(C(F)(F)F)n1	ZINC000439196319	559989852	/nfs/dbraw/zinc/98/98/52/559989852.db2.gz	FKKBLNNEWZLSEP-UHFFFAOYSA-N	-1	3	366.708	2.092	20	30		FEEDHM
C=C[C@](C)(CC)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F	ZINC000441383287	560030574	/nfs/dbraw/zinc/03/05/74/560030574.db2.gz	KJLJXDLGFJUFFD-OAHLLOKOSA-N	-1	3	362.854	2.476	20	30		FEEDHM
COC(=O)c1ccsc1[N-]C(=O)C(=O)N(C)Cc1ccc(C#N)cc1	ZINC000441638441	560036748	/nfs/dbraw/zinc/03/67/48/560036748.db2.gz	XCGXYWSDQIENFH-UHFFFAOYSA-N	-1	3	357.391	2.003	20	30		FEEDHM
C[C@H](NCC[N-]S(=O)(=O)c1ccc(F)cc1F)c1ccc(C#N)cc1	ZINC000442097799	560043879	/nfs/dbraw/zinc/04/38/79/560043879.db2.gz	OTWHPKPVXUQWJF-LBPRGKRZSA-N	-1	3	365.405	2.466	20	30		FEEDHM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1CCc2c1cccc2O	ZINC000443216881	560074833	/nfs/dbraw/zinc/07/48/33/560074833.db2.gz	OQVMJGSCGMBFCG-CYBMUJFWSA-N	-1	3	359.363	2.138	20	30		FEEDHM
COC(=O)c1nscc1S(=O)(=O)[N-][C@@H](CCC#N)c1ccccc1	ZINC000443383278	560082678	/nfs/dbraw/zinc/08/26/78/560082678.db2.gz	GRQXLGJFYMEVJM-LBPRGKRZSA-N	-1	3	365.436	2.253	20	30		FEEDHM
COC(=O)Cc1nnc(NC(=O)c2cn(CCCC#N)c3ccccc23)[n-]1	ZINC000444256098	560107125	/nfs/dbraw/zinc/10/71/25/560107125.db2.gz	ICKAQXUQLTZMAM-UHFFFAOYSA-N	-1	3	366.381	2.031	20	30		FEEDHM
COC(=O)Cc1n[n-]c(NC(=O)c2cn(CCCC#N)c3ccccc23)n1	ZINC000444256098	560107126	/nfs/dbraw/zinc/10/71/26/560107126.db2.gz	ICKAQXUQLTZMAM-UHFFFAOYSA-N	-1	3	366.381	2.031	20	30		FEEDHM
COC(=O)Cc1nc(NC(=O)c2cn(CCCC#N)c3ccccc23)n[n-]1	ZINC000444256098	560107127	/nfs/dbraw/zinc/10/71/27/560107127.db2.gz	ICKAQXUQLTZMAM-UHFFFAOYSA-N	-1	3	366.381	2.031	20	30		FEEDHM
N#CCN1CCC[C@H](CNC(=O)Cc2ccc(Br)cc2[O-])C1	ZINC000444670398	560118036	/nfs/dbraw/zinc/11/80/36/560118036.db2.gz	HZELLSGTGZXSJZ-GFCCVEGCSA-N	-1	3	366.259	2.049	20	30		FEEDHM
N#Cc1ccc(F)c(CS(=O)(=O)[N-][C@@H](c2nc[nH]n2)c2ccccc2)c1	ZINC000445761498	560134908	/nfs/dbraw/zinc/13/49/08/560134908.db2.gz	ZUPVYCCQCYRISH-MRXNPFEDSA-N	-1	3	371.397	2.024	20	30		FEEDHM
N#C[C@H](c1ccccc1)N1CCN(C(=O)Cc2ccc([O-])c(F)c2)CC1	ZINC000448612518	560192903	/nfs/dbraw/zinc/19/29/03/560192903.db2.gz	AJRZCYOQEMDNHF-GOSISDBHSA-N	-1	3	353.397	2.483	20	30		FEEDHM
C=CCC1(C(=O)NCc2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)CCCC1	ZINC000449831486	560241755	/nfs/dbraw/zinc/24/17/55/560241755.db2.gz	WGIFBPFDOMUQMS-LJQANCHMSA-N	-1	3	355.438	2.494	20	30		FEEDHM
N#CCC1(CS(=O)(=O)NCc2ccc([O-])c(Br)c2)CC1	ZINC000451335912	560301060	/nfs/dbraw/zinc/30/10/60/560301060.db2.gz	VGFIYBPLFDHXOL-UHFFFAOYSA-N	-1	3	359.245	2.268	20	30		FEEDHM
Cc1ccnc([C@H]([N-]S(=O)(=O)Cc2ccc(F)cc2C#N)C2CC2)n1	ZINC000451363597	560302826	/nfs/dbraw/zinc/30/28/26/560302826.db2.gz	BMUMONLROOTEBC-MRXNPFEDSA-N	-1	3	360.414	2.367	20	30		FEEDHM
CC[C@H]([N-]S(=O)(=O)c1ccc(CC#N)cc1Cl)[C@H](O)C(F)F	ZINC000451714951	560324166	/nfs/dbraw/zinc/32/41/66/560324166.db2.gz	WMWIZBSXHAPKMH-JQWIXIFHSA-N	-1	3	352.790	2.089	20	30		FEEDHM
CCOC(=O)[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1C#N	ZINC000451949309	560340105	/nfs/dbraw/zinc/34/01/05/560340105.db2.gz	WOEPCZVRZVGYLC-OLZOCXBDSA-N	-1	3	356.831	2.222	20	30		FEEDHM
CCn1c(=O)[n-]c(=O)c2c(C(=O)NCC(C)(C)CC#N)cc(C3CC3)nc21	ZINC000457991026	560598319	/nfs/dbraw/zinc/59/83/19/560598319.db2.gz	RBCTVVMPQRZLJJ-UHFFFAOYSA-N	-1	3	369.425	2.064	20	30		FEEDHM
C=CCN(Cc1cc(=O)[n-]c(-c2ccccc2)n1)[C@H]1CCS(=O)(=O)C1	ZINC000459372294	560682771	/nfs/dbraw/zinc/68/27/71/560682771.db2.gz	QILYQJQUWZGBDZ-INIZCTEOSA-N	-1	3	359.451	2.024	20	30		FEEDHM
CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H](C#N)C(C)C)cc1	ZINC000463465431	560815994	/nfs/dbraw/zinc/81/59/94/560815994.db2.gz	YDHSPQFAOLVDFZ-HNNXBMFYSA-N	-1	3	373.500	2.055	20	30		FEEDHM
CCc1nnc(NCCCNC(=O)c2cccc([O-])c2)c(C#N)c1CC	ZINC000467718018	560915890	/nfs/dbraw/zinc/91/58/90/560915890.db2.gz	KBVUHJFWWBFCTP-UHFFFAOYSA-N	-1	3	353.426	2.411	20	30		FEEDHM
N#Cc1cccnc1N1CCN(C(=O)CCCc2ccc([O-])c(F)c2)CC1	ZINC000468520217	560932108	/nfs/dbraw/zinc/93/21/08/560932108.db2.gz	WRQLSBPPWKARHK-UHFFFAOYSA-N	-1	3	368.412	2.469	20	30		FEEDHM
CC(C)[C@@H](C#N)[N-]S(=O)(=O)c1cc(Br)cc2c1OCC2	ZINC000469087018	560946858	/nfs/dbraw/zinc/94/68/58/560946858.db2.gz	YCKIKNYMFOSODM-LLVKDONJSA-N	-1	3	359.245	2.210	20	30		FEEDHM
CC(C)[C@@H](C#N)[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1	ZINC000469165643	560948799	/nfs/dbraw/zinc/94/87/99/560948799.db2.gz	ZKOFIDNLUOKYMK-LLVKDONJSA-N	-1	3	362.205	2.184	20	30		FEEDHM
C=CCn1c(=O)[n-]nc1SCC(=O)Nc1ccc2c(c1)OC(F)(F)O2	ZINC000470832672	560991112	/nfs/dbraw/zinc/99/11/12/560991112.db2.gz	AFEGTTUETNQLHE-UHFFFAOYSA-N	-1	3	370.337	2.222	20	30		FEEDHM
O=C(N[C@H]1CCCN([O-])C1=O)[C@@H]1C[C@H]1c1csc(Br)c1	ZINC000529424443	562373366	/nfs/dbraw/zinc/37/33/66/562373366.db2.gz	BMNMXDDTJPEQEM-AEJSXWLSSA-N	-1	3	359.245	2.111	20	30		FEEDHM
N#CCN1CCC[C@@H](CNC(=O)c2cc([O-])cc(Br)c2)C1	ZINC000530263370	562404511	/nfs/dbraw/zinc/40/45/11/562404511.db2.gz	QHAKGXFVIKQOSP-NSHDSACASA-N	-1	3	352.232	2.120	20	30		FEEDHM
O=S(=O)([N-][C@H](CO)CC(F)(F)F)c1ccc(F)c(C(F)(F)F)c1	ZINC000535246595	562553788	/nfs/dbraw/zinc/55/37/88/562553788.db2.gz	IMUSLMFAGFCMMB-LURJTMIESA-N	-1	3	369.258	2.436	20	30		FEEDHM
CC1(C)CCC([N-]S(=O)(=O)c2cccc(Cl)c2C#N)(C(N)=O)CC1	ZINC000535357036	562556768	/nfs/dbraw/zinc/55/67/68/562556768.db2.gz	AAHRDBBASGSGKX-UHFFFAOYSA-N	-1	3	369.874	2.314	20	30		FEEDHM
C[C@]1(c2cccc(-c3noc(C4(C#N)CCCC4)n3)c2)NC(=O)[N-]C1=O	ZINC000545657151	562629641	/nfs/dbraw/zinc/62/96/41/562629641.db2.gz	UJOANOQDNQNSLU-QGZVFWFLSA-N	-1	3	351.366	2.127	20	30		FEEDHM
COc1ccc2c(c1)OC[C@@H]([N-]S(=O)(=O)CC1(C#N)CCCC1)C2	ZINC000546071564	562633279	/nfs/dbraw/zinc/63/32/79/562633279.db2.gz	YMJIQANXDQUBFA-AWEZNQCLSA-N	-1	3	350.440	2.002	20	30		FEEDHM
C[C@@H]1CN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)C[C@@H](C)N1CC#N	ZINC000602862400	568049912	/nfs/dbraw/zinc/04/99/12/568049912.db2.gz	NRNUYLPLSJHYQR-CHWSQXEVSA-N	-1	3	351.410	2.500	20	30		FEEDHM
C=CCN(c1ccccc1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F	ZINC000735426793	598866613	/nfs/dbraw/zinc/86/66/13/598866613.db2.gz	XCYCFKVVKNNJTB-UHFFFAOYSA-N	-1	3	359.386	2.387	20	30		FEEDHM
C=CCN(c1ccccc1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F	ZINC000735426793	598866615	/nfs/dbraw/zinc/86/66/15/598866615.db2.gz	XCYCFKVVKNNJTB-UHFFFAOYSA-N	-1	3	359.386	2.387	20	30		FEEDHM
CCSc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)ccn1	ZINC000736668404	598913893	/nfs/dbraw/zinc/91/38/93/598913893.db2.gz	YSQFYUNAMVURNO-UHFFFAOYSA-N	-1	3	351.395	2.498	20	30		FEEDHM
CCSc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)ccn1	ZINC000736668404	598913894	/nfs/dbraw/zinc/91/38/94/598913894.db2.gz	YSQFYUNAMVURNO-UHFFFAOYSA-N	-1	3	351.395	2.498	20	30		FEEDHM
CCSc1cc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)ccn1	ZINC000736664695	598914071	/nfs/dbraw/zinc/91/40/71/598914071.db2.gz	BYLWKEBYAUATHT-UHFFFAOYSA-N	-1	3	351.395	2.498	20	30		FEEDHM
CCSc1cc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)ccn1	ZINC000736664695	598914072	/nfs/dbraw/zinc/91/40/72/598914072.db2.gz	BYLWKEBYAUATHT-UHFFFAOYSA-N	-1	3	351.395	2.498	20	30		FEEDHM
N#Cc1cc(NC(=O)c2ccn(-c3ccc(F)cc3)n2)ccc1-c1nnn[n-]1	ZINC000737710361	598920438	/nfs/dbraw/zinc/92/04/38/598920438.db2.gz	XIMJGQWMVCUELG-UHFFFAOYSA-N	-1	3	374.339	2.315	20	30		FEEDHM
N#Cc1cc(NC(=O)c2ccn(-c3ccc(F)cc3)n2)ccc1-c1nn[n-]n1	ZINC000737710361	598920439	/nfs/dbraw/zinc/92/04/39/598920439.db2.gz	XIMJGQWMVCUELG-UHFFFAOYSA-N	-1	3	374.339	2.315	20	30		FEEDHM
C=CCOc1cccc(N[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)c1	ZINC000735436517	599092560	/nfs/dbraw/zinc/09/25/60/599092560.db2.gz	LUGHVPXPUBZZRG-INIZCTEOSA-N	-1	3	350.382	2.070	20	30		FEEDHM
C=CCOc1cccc(N[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)c1	ZINC000735436517	599092562	/nfs/dbraw/zinc/09/25/62/599092562.db2.gz	LUGHVPXPUBZZRG-INIZCTEOSA-N	-1	3	350.382	2.070	20	30		FEEDHM
COc1ccc(C=C2N=C(c3ccc(-c4nnn[n-]4)cc3)OC2=O)cc1C#N	ZINC000737085013	599175624	/nfs/dbraw/zinc/17/56/24/599175624.db2.gz	XJNAQLTZJZHSHD-OQLLNIDSSA-N	-1	3	372.344	2.091	20	30		FEEDHM
COc1ccc(C=C2N=C(c3ccc(-c4nn[n-]n4)cc3)OC2=O)cc1C#N	ZINC000737085013	599175627	/nfs/dbraw/zinc/17/56/27/599175627.db2.gz	XJNAQLTZJZHSHD-OQLLNIDSSA-N	-1	3	372.344	2.091	20	30		FEEDHM
N#Cc1cc(NC(=O)C[C@H]2OCCc3ccccc32)ccc1-c1nnn[n-]1	ZINC000737703022	599198028	/nfs/dbraw/zinc/19/80/28/599198028.db2.gz	ABTWGBXTHHWJGS-QGZVFWFLSA-N	-1	3	360.377	2.381	20	30		FEEDHM
N#Cc1cc(NC(=O)C[C@H]2OCCc3ccccc32)ccc1-c1nn[n-]n1	ZINC000737703022	599198032	/nfs/dbraw/zinc/19/80/32/599198032.db2.gz	ABTWGBXTHHWJGS-QGZVFWFLSA-N	-1	3	360.377	2.381	20	30		FEEDHM
COc1ccc(C#N)cc1NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F	ZINC000821770157	599275669	/nfs/dbraw/zinc/27/56/69/599275669.db2.gz	PXVHIEDKZCWEGN-UHFFFAOYSA-N	-1	3	367.344	2.208	20	30		FEEDHM
COc1ccc(C#N)cc1NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F	ZINC000821770157	599275670	/nfs/dbraw/zinc/27/56/70/599275670.db2.gz	PXVHIEDKZCWEGN-UHFFFAOYSA-N	-1	3	367.344	2.208	20	30		FEEDHM
N#Cc1ccc(N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)cc1Cl	ZINC000737718619	598276070	/nfs/dbraw/zinc/27/60/70/598276070.db2.gz	OAOWKSATSZSYJZ-UHFFFAOYSA-N	-1	3	366.816	2.113	20	30		FEEDHM
N#Cc1ccc(N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)cc1Cl	ZINC000737718619	598276071	/nfs/dbraw/zinc/27/60/71/598276071.db2.gz	OAOWKSATSZSYJZ-UHFFFAOYSA-N	-1	3	366.816	2.113	20	30		FEEDHM
CCC[C@H](C#N)NC(=O)CSc1nc(C)c(C)c(C)c1-c1nnn[n-]1	ZINC000736416935	598331401	/nfs/dbraw/zinc/33/14/01/598331401.db2.gz	PJPVFIQCJHNVFW-GFCCVEGCSA-N	-1	3	359.459	2.088	20	30		FEEDHM
CCC[C@H](C#N)NC(=O)CSc1nc(C)c(C)c(C)c1-c1nn[n-]n1	ZINC000736416935	598331402	/nfs/dbraw/zinc/33/14/02/598331402.db2.gz	PJPVFIQCJHNVFW-GFCCVEGCSA-N	-1	3	359.459	2.088	20	30		FEEDHM
C#CCOc1cccc(OC(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)c1	ZINC000735387931	598422028	/nfs/dbraw/zinc/42/20/28/598422028.db2.gz	LIGFPXFGWTZSMH-ZDUSSCGKSA-N	-1	3	364.361	2.252	20	30		FEEDHM
Cc1cc(C(=O)N[C@@H](C#N)C2CC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1	ZINC000737234856	598536127	/nfs/dbraw/zinc/53/61/27/598536127.db2.gz	RTEVXJQTSUTGKS-KRWDZBQOSA-N	-1	3	361.409	2.306	20	30		FEEDHM
C(=NN1CCOCC1)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1	ZINC000735399883	598545565	/nfs/dbraw/zinc/54/55/65/598545565.db2.gz	NJRUMGBUZYBBRZ-UHFFFAOYSA-N	-1	3	364.409	2.112	20	30		FEEDHM
C(=NN1CCOCC1)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1	ZINC000735399883	598545566	/nfs/dbraw/zinc/54/55/66/598545566.db2.gz	NJRUMGBUZYBBRZ-UHFFFAOYSA-N	-1	3	364.409	2.112	20	30		FEEDHM
C[C@H](CC#N)NC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1	ZINC000735963840	598549292	/nfs/dbraw/zinc/54/92/92/598549292.db2.gz	OVGVOOZERGTDRT-LLVKDONJSA-N	-1	3	352.354	2.071	20	30		FEEDHM
CC(C)(C#N)NC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1	ZINC000735571417	598555418	/nfs/dbraw/zinc/55/54/18/598555418.db2.gz	DDKUWTALVFKJPW-UHFFFAOYSA-N	-1	3	352.354	2.071	20	30		FEEDHM
c1cc(-c2nn[n-]n2)ccc1OCCCON=C1CCC2(CC1)OCCO2	ZINC000738413381	598699167	/nfs/dbraw/zinc/69/91/67/598699167.db2.gz	UYAHQHBNORIQCD-UHFFFAOYSA-N	-1	3	373.413	2.325	20	30		FEEDHM
C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCc1ccc(F)cc1C#N	ZINC000736188805	598706354	/nfs/dbraw/zinc/70/63/54/598706354.db2.gz	QEONIRFCQIXRDE-NSHDSACASA-N	-1	3	367.340	2.388	20	30		FEEDHM
C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OCc1ccc(F)cc1C#N	ZINC000736188805	598706355	/nfs/dbraw/zinc/70/63/55/598706355.db2.gz	QEONIRFCQIXRDE-NSHDSACASA-N	-1	3	367.340	2.388	20	30		FEEDHM
C#CCCS(=O)(=O)[N-]C1(c2noc([C@@H]3CCOC3)n2)CCCCCC1	ZINC000808303103	674451038	/nfs/dbraw/zinc/45/10/38/674451038.db2.gz	RUROZYLEDGNHCW-CQSZACIVSA-N	-1	3	367.471	2.066	20	30		FEEDHM
Cc1nc(SCC(=O)N(C)[C@H](C)CC#N)c(-c2nnn[n-]2)c(C)c1C	ZINC000737483888	598753328	/nfs/dbraw/zinc/75/33/28/598753328.db2.gz	PXOJMGJDJUMQLF-SECBINFHSA-N	-1	3	359.459	2.040	20	30		FEEDHM
Cc1nc(SCC(=O)N(C)[C@H](C)CC#N)c(-c2nn[n-]n2)c(C)c1C	ZINC000737483888	598753330	/nfs/dbraw/zinc/75/33/30/598753330.db2.gz	PXOJMGJDJUMQLF-SECBINFHSA-N	-1	3	359.459	2.040	20	30		FEEDHM
NC(=NOCc1ccc(F)cc1-c1nnn[n-]1)c1nccc2ccccc21	ZINC000737731210	598819639	/nfs/dbraw/zinc/81/96/39/598819639.db2.gz	PWKNCLPAUHMOTI-UHFFFAOYSA-N	-1	3	363.356	2.391	20	30		FEEDHM
NC(=NOCc1ccc(F)cc1-c1nn[n-]n1)c1nccc2ccccc21	ZINC000737731210	598819640	/nfs/dbraw/zinc/81/96/40/598819640.db2.gz	PWKNCLPAUHMOTI-UHFFFAOYSA-N	-1	3	363.356	2.391	20	30		FEEDHM
O=C(NCC#Cc1ccccc1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1	ZINC000826432761	607449420	/nfs/dbraw/zinc/44/94/20/607449420.db2.gz	JZBUMSFNMMGASI-UHFFFAOYSA-N	-1	3	358.405	2.207	20	30		FEEDHM
O=C(NCC#Cc1ccccc1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1	ZINC000826432761	607449422	/nfs/dbraw/zinc/44/94/22/607449422.db2.gz	JZBUMSFNMMGASI-UHFFFAOYSA-N	-1	3	358.405	2.207	20	30		FEEDHM
CS(=O)(=O)Cc1cccc(CN[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1	ZINC000738159605	600596472	/nfs/dbraw/zinc/59/64/72/600596472.db2.gz	CZKGCAUPFPGQOU-QGZVFWFLSA-N	-1	3	358.419	2.018	20	30		FEEDHM
CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1	ZINC000830608893	600913992	/nfs/dbraw/zinc/91/39/92/600913992.db2.gz	JUOUSTDXISCMJC-ROUUACIJSA-N	-1	3	357.454	2.339	20	30		FEEDHM
N#CCn1c(=O)c2ccccc2nc1CN1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-]	ZINC000833068943	600986738	/nfs/dbraw/zinc/98/67/38/600986738.db2.gz	ICBAHQHXBHXIBI-XYPHTWIQSA-N	-1	3	366.421	2.138	20	30		FEEDHM
N#Cc1c2[nH]c3ccccc3n2c(=O)cc1CN1CCC[C@H](C(=O)[O-])C1	ZINC000739066808	601033294	/nfs/dbraw/zinc/03/32/94/601033294.db2.gz	REEBBTPZIMBAGK-GXTWGEPZSA-N	-1	3	350.378	2.020	20	30		FEEDHM
Fc1ccc(C#CCN2CCN(c3ccccc3-c3nnn[n-]3)CC2)cc1	ZINC000826373176	607525451	/nfs/dbraw/zinc/52/54/51/607525451.db2.gz	CDUASEMZLQOUJW-UHFFFAOYSA-N	-1	3	362.412	2.180	20	30		FEEDHM
Fc1ccc(C#CCN2CCN(c3ccccc3-c3nn[n-]n3)CC2)cc1	ZINC000826373176	607525453	/nfs/dbraw/zinc/52/54/53/607525453.db2.gz	CDUASEMZLQOUJW-UHFFFAOYSA-N	-1	3	362.412	2.180	20	30		FEEDHM
C=C(C)CN1CCC(NC(=O)N[C@H](C)[C@H]2CCCN(C(=O)[O-])C2)CC1	ZINC000738485726	602680141	/nfs/dbraw/zinc/68/01/41/602680141.db2.gz	PUIDKWXYHRETCJ-CABCVRRESA-N	-1	3	352.479	2.105	20	30		FEEDHM
COc1ccc(CNC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1C#N	ZINC000826197073	607582468	/nfs/dbraw/zinc/58/24/68/607582468.db2.gz	YRGIQMQGIMLGJL-CLFYSBASSA-N	-1	3	360.377	2.077	20	30		FEEDHM
COc1ccc(CNC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1C#N	ZINC000826197073	607582469	/nfs/dbraw/zinc/58/24/69/607582469.db2.gz	YRGIQMQGIMLGJL-CLFYSBASSA-N	-1	3	360.377	2.077	20	30		FEEDHM
N#C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1c(Cl)cccc1Cl	ZINC000826380022	607729013	/nfs/dbraw/zinc/72/90/13/607729013.db2.gz	KKXPRSGAUFJWNT-LLVKDONJSA-N	-1	3	362.180	2.496	20	30		FEEDHM
N#C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1c(Cl)cccc1Cl	ZINC000826380022	607729015	/nfs/dbraw/zinc/72/90/15/607729015.db2.gz	KKXPRSGAUFJWNT-LLVKDONJSA-N	-1	3	362.180	2.496	20	30		FEEDHM
COCCN(CCC#N)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C	ZINC000821688975	606152461	/nfs/dbraw/zinc/15/24/61/606152461.db2.gz	GGESCMNJMHLFHQ-UHFFFAOYSA-N	-1	3	373.417	2.048	20	30		FEEDHM
COCCN(CCC#N)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C	ZINC000821688975	606152462	/nfs/dbraw/zinc/15/24/62/606152462.db2.gz	GGESCMNJMHLFHQ-UHFFFAOYSA-N	-1	3	373.417	2.048	20	30		FEEDHM
NC(=NOCc1ccc(-c2nnn[n-]2)cc1)c1ccc(Br)o1	ZINC000822845975	606178498	/nfs/dbraw/zinc/17/84/98/606178498.db2.gz	KWYNIVMNARYRMD-UHFFFAOYSA-N	-1	3	363.175	2.059	20	30		FEEDHM
NC(=NOCc1ccc(-c2nn[n-]n2)cc1)c1ccc(Br)o1	ZINC000822845975	606178499	/nfs/dbraw/zinc/17/84/99/606178499.db2.gz	KWYNIVMNARYRMD-UHFFFAOYSA-N	-1	3	363.175	2.059	20	30		FEEDHM
C#CC[C@@H](OC(=O)CCCOc1ccc(-c2nnn[n-]2)cc1OC)C1CC1	ZINC000819688364	606181164	/nfs/dbraw/zinc/18/11/64/606181164.db2.gz	HMFWXOYHRWCMRM-OAHLLOKOSA-N	-1	3	370.409	2.379	20	30		FEEDHM
C#CC[C@@H](OC(=O)CCCOc1ccc(-c2nn[n-]n2)cc1OC)C1CC1	ZINC000819688364	606181166	/nfs/dbraw/zinc/18/11/66/606181166.db2.gz	HMFWXOYHRWCMRM-OAHLLOKOSA-N	-1	3	370.409	2.379	20	30		FEEDHM
COc1cc(-c2nnn[n-]2)ccc1OCCN(CCC#N)Cc1ccco1	ZINC000821702133	606191062	/nfs/dbraw/zinc/19/10/62/606191062.db2.gz	IOMPEALKZGMPLS-UHFFFAOYSA-N	-1	3	368.397	2.263	20	30		FEEDHM
COc1cc(-c2nn[n-]n2)ccc1OCCN(CCC#N)Cc1ccco1	ZINC000821702133	606191064	/nfs/dbraw/zinc/19/10/64/606191064.db2.gz	IOMPEALKZGMPLS-UHFFFAOYSA-N	-1	3	368.397	2.263	20	30		FEEDHM
Cc1c(C(=O)C=Cc2ccc3c(c2)nnn3C)c(-c2nnn[n-]2)c2n1CCC2	ZINC000822016011	606195658	/nfs/dbraw/zinc/19/56/58/606195658.db2.gz	SHWVNHIJMSRAKX-VURMDHGXSA-N	-1	3	374.408	2.101	20	30		FEEDHM
Cc1c(C(=O)C=Cc2ccc3c(c2)nnn3C)c(-c2nn[n-]n2)c2n1CCC2	ZINC000822016011	606195659	/nfs/dbraw/zinc/19/56/59/606195659.db2.gz	SHWVNHIJMSRAKX-VURMDHGXSA-N	-1	3	374.408	2.101	20	30		FEEDHM
Fc1ccccc1C1N=NC(=S)N1N=Cc1cc(-c2nnn[n-]2)cs1	ZINC000822791642	606204724	/nfs/dbraw/zinc/20/47/24/606204724.db2.gz	KGYMVMOIPJIHTQ-UHFFFAOYSA-N	-1	3	372.414	2.497	20	30		FEEDHM
Fc1ccccc1C1N=NC(=S)N1N=Cc1cc(-c2nn[n-]n2)cs1	ZINC000822791642	606204725	/nfs/dbraw/zinc/20/47/25/606204725.db2.gz	KGYMVMOIPJIHTQ-UHFFFAOYSA-N	-1	3	372.414	2.497	20	30		FEEDHM
CC(C)NS(=O)(=O)c1ccc([N-]S(=O)(=O)CCC(C)(C)C#N)cc1	ZINC000559249414	674533637	/nfs/dbraw/zinc/53/36/37/674533637.db2.gz	PMMJVUPEIWAMNS-UHFFFAOYSA-N	-1	3	373.500	2.055	20	30		FEEDHM
CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@@H]1CCC[C@@H]1C#N	ZINC000820032482	606300272	/nfs/dbraw/zinc/30/02/72/606300272.db2.gz	OAGAYBLMDOCLOO-XPKDYRNWSA-N	-1	3	354.414	2.079	20	30		FEEDHM
CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@@H]1CCC[C@@H]1C#N	ZINC000820032482	606300273	/nfs/dbraw/zinc/30/02/73/606300273.db2.gz	OAGAYBLMDOCLOO-XPKDYRNWSA-N	-1	3	354.414	2.079	20	30		FEEDHM
COC(=O)COc1ccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)cc1	ZINC000821662648	606305094	/nfs/dbraw/zinc/30/50/94/606305094.db2.gz	LWCYIQJLNRKIAU-VOTSOKGWSA-N	-1	3	370.390	2.376	20	30		FEEDHM
COC(=O)COc1ccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)cc1	ZINC000821662648	606305096	/nfs/dbraw/zinc/30/50/96/606305096.db2.gz	LWCYIQJLNRKIAU-VOTSOKGWSA-N	-1	3	370.390	2.376	20	30		FEEDHM
COC(=O)[C@H](c1cccc(C#N)c1)N(C)Cc1cccc(-c2nnn[n-]2)c1	ZINC000821651633	606315682	/nfs/dbraw/zinc/31/56/82/606315682.db2.gz	CSRQOQLEPNCHKZ-KRWDZBQOSA-N	-1	3	362.393	2.084	20	30		FEEDHM
COC(=O)[C@H](c1cccc(C#N)c1)N(C)Cc1cccc(-c2nn[n-]n2)c1	ZINC000821651633	606315683	/nfs/dbraw/zinc/31/56/83/606315683.db2.gz	CSRQOQLEPNCHKZ-KRWDZBQOSA-N	-1	3	362.393	2.084	20	30		FEEDHM
N#C[C@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1	ZINC000822801934	606554442	/nfs/dbraw/zinc/55/44/42/606554442.db2.gz	RQTOLZATOFFYRB-HNNXBMFYSA-N	-1	3	352.785	2.444	20	30		FEEDHM
N#C[C@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)cc1	ZINC000822801934	606554443	/nfs/dbraw/zinc/55/44/43/606554443.db2.gz	RQTOLZATOFFYRB-HNNXBMFYSA-N	-1	3	352.785	2.444	20	30		FEEDHM
COc1c(F)ccc(F)c1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1	ZINC000821698573	606680887	/nfs/dbraw/zinc/68/08/87/606680887.db2.gz	PNPMAAHJXAJLRK-UHFFFAOYSA-N	-1	3	356.292	2.277	20	30		FEEDHM
COc1c(F)ccc(F)c1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1	ZINC000821698573	606680888	/nfs/dbraw/zinc/68/08/88/606680888.db2.gz	PNPMAAHJXAJLRK-UHFFFAOYSA-N	-1	3	356.292	2.277	20	30		FEEDHM
N#Cc1ccc(Cl)cc1OCC(=O)Nc1ccc(-c2nnn[n-]2)cc1	ZINC000822825735	606779133	/nfs/dbraw/zinc/77/91/33/606779133.db2.gz	NNGTYZJQDMLYNG-UHFFFAOYSA-N	-1	3	354.757	2.409	20	30		FEEDHM
N#Cc1ccc(Cl)cc1OCC(=O)Nc1ccc(-c2nn[n-]n2)cc1	ZINC000822825735	606779134	/nfs/dbraw/zinc/77/91/34/606779134.db2.gz	NNGTYZJQDMLYNG-UHFFFAOYSA-N	-1	3	354.757	2.409	20	30		FEEDHM
C#CCOc1ccc(C(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)cc1	ZINC000819709814	607001307	/nfs/dbraw/zinc/00/13/07/607001307.db2.gz	QCFGBVIMGHEDPF-UHFFFAOYSA-N	-1	3	352.325	2.375	20	30		FEEDHM
C#CCOc1ccc(C(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)cc1	ZINC000819709814	607001308	/nfs/dbraw/zinc/00/13/08/607001308.db2.gz	QCFGBVIMGHEDPF-UHFFFAOYSA-N	-1	3	352.325	2.375	20	30		FEEDHM
N#CCOc1ccc(CC(=O)OCc2cc(F)ccc2-c2nnn[n-]2)cc1	ZINC000822814414	607082593	/nfs/dbraw/zinc/08/25/93/607082593.db2.gz	FMAKTKSNUAEPHK-UHFFFAOYSA-N	-1	3	367.340	2.194	20	30		FEEDHM
N#CCOc1ccc(CC(=O)OCc2cc(F)ccc2-c2nn[n-]n2)cc1	ZINC000822814414	607082595	/nfs/dbraw/zinc/08/25/95/607082595.db2.gz	FMAKTKSNUAEPHK-UHFFFAOYSA-N	-1	3	367.340	2.194	20	30		FEEDHM
N#Cc1cnc(NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)s1	ZINC000822842788	607108023	/nfs/dbraw/zinc/10/80/23/607108023.db2.gz	YYEXBQFGMAONTJ-UHFFFAOYSA-N	-1	3	369.410	2.383	20	30		FEEDHM
N#Cc1cnc(NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)s1	ZINC000822842788	607108025	/nfs/dbraw/zinc/10/80/25/607108025.db2.gz	YYEXBQFGMAONTJ-UHFFFAOYSA-N	-1	3	369.410	2.383	20	30		FEEDHM
COc1cc(-c2nnn[n-]2)ccc1OCCOc1ccc(C#N)cc1F	ZINC000821701987	607136446	/nfs/dbraw/zinc/13/64/46/607136446.db2.gz	CKCJSDLWSKXHML-UHFFFAOYSA-N	-1	3	355.329	2.344	20	30		FEEDHM
COc1cc(-c2nn[n-]n2)ccc1OCCOc1ccc(C#N)cc1F	ZINC000821701987	607136447	/nfs/dbraw/zinc/13/64/47/607136447.db2.gz	CKCJSDLWSKXHML-UHFFFAOYSA-N	-1	3	355.329	2.344	20	30		FEEDHM
O=c1[nH]c(NN=Cc2c[nH]c3ccc(-c4nnn[n-]4)cc23)nc2ccccc12	ZINC000823657982	607149677	/nfs/dbraw/zinc/14/96/77/607149677.db2.gz	XSGSCWGTYNEZPC-UHFFFAOYSA-N	-1	3	371.364	2.443	20	30		FEEDHM
O=c1[nH]c(NN=Cc2c[nH]c3ccc(-c4nn[n-]n4)cc23)nc2ccccc12	ZINC000823657982	607149678	/nfs/dbraw/zinc/14/96/78/607149678.db2.gz	XSGSCWGTYNEZPC-UHFFFAOYSA-N	-1	3	371.364	2.443	20	30		FEEDHM
N#Cc1cc(-c2nnn[n-]2)c(N)nc1SCc1cnc(Cl)s1	ZINC000822818923	607160153	/nfs/dbraw/zinc/16/01/53/607160153.db2.gz	IUDLBIQGWJFWAD-UHFFFAOYSA-N	-1	3	350.820	2.118	20	30		FEEDHM
N#Cc1cc(-c2nn[n-]n2)c(N)nc1SCc1cnc(Cl)s1	ZINC000822818923	607160155	/nfs/dbraw/zinc/16/01/55/607160155.db2.gz	IUDLBIQGWJFWAD-UHFFFAOYSA-N	-1	3	350.820	2.118	20	30		FEEDHM
COc1ccc(CN=Nc2ccc(C(F)(F)F)nn2)cc1-c1nnn[n-]1	ZINC000826191099	607844014	/nfs/dbraw/zinc/84/40/14/607844014.db2.gz	XDXIRTKRCOASGL-UHFFFAOYSA-N	-1	3	364.291	2.130	20	30		FEEDHM
COc1ccc(CN=Nc2ccc(C(F)(F)F)nn2)cc1-c1nn[n-]n1	ZINC000826191099	607844015	/nfs/dbraw/zinc/84/40/15/607844015.db2.gz	XDXIRTKRCOASGL-UHFFFAOYSA-N	-1	3	364.291	2.130	20	30		FEEDHM
C=CCC(CC=C)C(=O)OCc1cccc(C(=O)OC)c1-c1nnn[n-]1	ZINC000823888481	607914139	/nfs/dbraw/zinc/91/41/39/607914139.db2.gz	NNOYKAATGGKKBU-UHFFFAOYSA-N	-1	3	356.382	2.465	20	30		FEEDHM
C=CCC(CC=C)C(=O)OCc1cccc(C(=O)OC)c1-c1nn[n-]n1	ZINC000823888481	607914140	/nfs/dbraw/zinc/91/41/40/607914140.db2.gz	NNOYKAATGGKKBU-UHFFFAOYSA-N	-1	3	356.382	2.465	20	30		FEEDHM
C=C(C)[C@H](CC(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1)OCC	ZINC000823873001	607920018	/nfs/dbraw/zinc/92/00/18/607920018.db2.gz	GJCJFFTXWDTUNV-WFASDCNBSA-N	-1	3	373.413	2.108	20	30		FEEDHM
C=C(C)[C@H](CC(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1)OCC	ZINC000823873001	607920019	/nfs/dbraw/zinc/92/00/19/607920019.db2.gz	GJCJFFTXWDTUNV-WFASDCNBSA-N	-1	3	373.413	2.108	20	30		FEEDHM
N#Cc1cc(NC(=O)C=Cc2ccnc(Cl)c2)ccc1-c1nnn[n-]1	ZINC000826384161	607962716	/nfs/dbraw/zinc/96/27/16/607962716.db2.gz	JFXBQONYLRFMFF-RJRFIUFISA-N	-1	3	351.757	2.439	20	30		FEEDHM
N#Cc1cc(NC(=O)C=Cc2ccnc(Cl)c2)ccc1-c1nn[n-]n1	ZINC000826384161	607962717	/nfs/dbraw/zinc/96/27/17/607962717.db2.gz	JFXBQONYLRFMFF-RJRFIUFISA-N	-1	3	351.757	2.439	20	30		FEEDHM
N#Cc1cc(NC(=O)c2cccnc2OCC(F)F)ccc1-c1nnn[n-]1	ZINC000826384284	608028342	/nfs/dbraw/zinc/02/83/42/608028342.db2.gz	ORDLABWMDZDXFT-UHFFFAOYSA-N	-1	3	371.307	2.030	20	30		FEEDHM
N#Cc1cc(NC(=O)c2cccnc2OCC(F)F)ccc1-c1nn[n-]n1	ZINC000826384284	608028343	/nfs/dbraw/zinc/02/83/43/608028343.db2.gz	ORDLABWMDZDXFT-UHFFFAOYSA-N	-1	3	371.307	2.030	20	30		FEEDHM
COCC#CCOC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1	ZINC000826146994	608104118	/nfs/dbraw/zinc/10/41/18/608104118.db2.gz	KQIVWUUCYZXNER-UHFFFAOYSA-N	-1	3	363.377	2.417	20	30		FEEDHM
C[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCC[C@](C)(C#N)C1	ZINC000824046824	608125338	/nfs/dbraw/zinc/12/53/38/608125338.db2.gz	VSQPZMFXRYZFJK-PIGZYNQJSA-N	-1	3	373.848	2.473	20	30		FEEDHM
C[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCC[C@](C)(C#N)C1	ZINC000824046824	608125339	/nfs/dbraw/zinc/12/53/39/608125339.db2.gz	VSQPZMFXRYZFJK-PIGZYNQJSA-N	-1	3	373.848	2.473	20	30		FEEDHM
C#CCCCCNC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1	ZINC000823841557	608420590	/nfs/dbraw/zinc/42/05/90/608420590.db2.gz	OVZJFMBKWUSURT-UHFFFAOYSA-N	-1	3	350.426	2.469	20	30		FEEDHM
C#CCCCCNC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1	ZINC000823841557	608420592	/nfs/dbraw/zinc/42/05/92/608420592.db2.gz	OVZJFMBKWUSURT-UHFFFAOYSA-N	-1	3	350.426	2.469	20	30		FEEDHM
Cn1cc(C#N)cc1C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1	ZINC000826358456	608480440	/nfs/dbraw/zinc/48/04/40/608480440.db2.gz	VBVFNIWARIYWAT-UHFFFAOYSA-N	-1	3	359.393	2.006	20	30		FEEDHM
Cn1cc(C#N)cc1C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1	ZINC000826358456	608480443	/nfs/dbraw/zinc/48/04/43/608480443.db2.gz	VBVFNIWARIYWAT-UHFFFAOYSA-N	-1	3	359.393	2.006	20	30		FEEDHM
N#Cc1ccc(CN2CCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)s1	ZINC000826384994	608502979	/nfs/dbraw/zinc/50/29/79/608502979.db2.gz	SLOMSALMZJNMSC-UHFFFAOYSA-N	-1	3	365.466	2.118	20	30		FEEDHM
COCCOc1ccccc1CN=Nc1cc(-c2nnn[n-]2)cc(Cl)n1	ZINC000826163541	608534050	/nfs/dbraw/zinc/53/40/50/608534050.db2.gz	YTRJDEAHVJURRY-UHFFFAOYSA-N	-1	3	373.804	2.386	20	30		FEEDHM
COCCOc1ccccc1CN=Nc1cc(-c2nn[n-]n2)cc(Cl)n1	ZINC000826163541	608534051	/nfs/dbraw/zinc/53/40/51/608534051.db2.gz	YTRJDEAHVJURRY-UHFFFAOYSA-N	-1	3	373.804	2.386	20	30		FEEDHM
Clc1cc(-c2nnn[n-]2)cc(N=NC2CCN(c3ccccn3)CC2)n1	ZINC000826350275	608539189	/nfs/dbraw/zinc/53/91/89/608539189.db2.gz	OWVQWGODFWYIHT-UHFFFAOYSA-N	-1	3	369.820	2.378	20	30		FEEDHM
Clc1cc(-c2nn[n-]n2)cc(N=NC2CCN(c3ccccn3)CC2)n1	ZINC000826350275	608539191	/nfs/dbraw/zinc/53/91/91/608539191.db2.gz	OWVQWGODFWYIHT-UHFFFAOYSA-N	-1	3	369.820	2.378	20	30		FEEDHM
Cc1cc(C)n2c(CN=Nc3cc(-c4nnn[n-]4)cc(Cl)n3)cnc2n1	ZINC000826265947	608539269	/nfs/dbraw/zinc/53/92/69/608539269.db2.gz	UYHOARZSBJOIJI-UHFFFAOYSA-N	-1	3	368.792	2.021	20	30		FEEDHM
Cc1cc(C)n2c(CN=Nc3cc(-c4nn[n-]n4)cc(Cl)n3)cnc2n1	ZINC000826265947	608539270	/nfs/dbraw/zinc/53/92/70/608539270.db2.gz	UYHOARZSBJOIJI-UHFFFAOYSA-N	-1	3	368.792	2.021	20	30		FEEDHM
C=CC[C@@H](C)NC(=O)NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1	ZINC000823888021	608621338	/nfs/dbraw/zinc/62/13/38/608621338.db2.gz	CVNRPDWXVWEZKD-LRVUVFPRSA-N	-1	3	371.445	2.216	20	30		FEEDHM
C=CC[C@@H](C)NC(=O)NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1	ZINC000823888021	608621340	/nfs/dbraw/zinc/62/13/40/608621340.db2.gz	CVNRPDWXVWEZKD-LRVUVFPRSA-N	-1	3	371.445	2.216	20	30		FEEDHM
CS(=O)(=O)c1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1	ZINC000826224144	609274193	/nfs/dbraw/zinc/27/41/93/609274193.db2.gz	QNMKBTBWORNITP-WTKPLQERSA-N	-1	3	372.381	2.305	20	30		FEEDHM
CS(=O)(=O)c1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1	ZINC000826224144	609274194	/nfs/dbraw/zinc/27/41/94/609274194.db2.gz	QNMKBTBWORNITP-WTKPLQERSA-N	-1	3	372.381	2.305	20	30		FEEDHM
CC(=Nn1cc(Br)cn1)c1ccc(-c2nnn[n-]2)cc1F	ZINC000823962599	609277493	/nfs/dbraw/zinc/27/74/93/609277493.db2.gz	MCKJLYWVOGFHJP-UHFFFAOYSA-N	-1	3	350.155	2.237	20	30		FEEDHM
CC(=Nn1cc(Br)cn1)c1ccc(-c2nn[n-]n2)cc1F	ZINC000823962599	609277495	/nfs/dbraw/zinc/27/74/95/609277495.db2.gz	MCKJLYWVOGFHJP-UHFFFAOYSA-N	-1	3	350.155	2.237	20	30		FEEDHM
N#C[C@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccc(Cl)c(Cl)c1	ZINC000826380372	609459257	/nfs/dbraw/zinc/45/92/57/609459257.db2.gz	YDGMHMKEUWDSQZ-LBPRGKRZSA-N	-1	3	362.180	2.496	20	30		FEEDHM
N#C[C@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccc(Cl)c(Cl)c1	ZINC000826380372	609459259	/nfs/dbraw/zinc/45/92/59/609459259.db2.gz	YDGMHMKEUWDSQZ-LBPRGKRZSA-N	-1	3	362.180	2.496	20	30		FEEDHM
COc1ccccc1CCCSc1nc(N)c(-c2nnn[n-]2)cc1C#N	ZINC000826219462	609513117	/nfs/dbraw/zinc/51/31/17/609513117.db2.gz	CQWWCHYJIWGOHZ-UHFFFAOYSA-N	-1	3	367.438	2.449	20	30		FEEDHM
COc1ccccc1CCCSc1nc(N)c(-c2nn[n-]n2)cc1C#N	ZINC000826219462	609513119	/nfs/dbraw/zinc/51/31/19/609513119.db2.gz	CQWWCHYJIWGOHZ-UHFFFAOYSA-N	-1	3	367.438	2.449	20	30		FEEDHM
CN(c1cccc(C#N)c1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl	ZINC000826010096	609528156	/nfs/dbraw/zinc/52/81/56/609528156.db2.gz	CMFDVYQMOWSFLL-UHFFFAOYSA-N	-1	3	374.813	2.217	20	30		FEEDHM
CN(c1cccc(C#N)c1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl	ZINC000826010096	609528159	/nfs/dbraw/zinc/52/81/59/609528159.db2.gz	CMFDVYQMOWSFLL-UHFFFAOYSA-N	-1	3	374.813	2.217	20	30		FEEDHM
COC1(CC(C)=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CCC1	ZINC000814822703	674882231	/nfs/dbraw/zinc/88/22/31/674882231.db2.gz	ZKLVZESWNWYEPC-UHFFFAOYSA-N	-1	3	355.416	2.349	20	30		FEEDHM
O=C(Cc1csc(-c2ccc(Cl)s2)n1)N[C@H]1CCN([O-])C1=O	ZINC000816696513	675073650	/nfs/dbraw/zinc/07/36/50/675073650.db2.gz	ZWHIJTUDMZOUGV-QMMMGPOBSA-N	-1	3	357.844	2.174	20	30		FEEDHM
N#CCN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)C1CCCC1	ZINC000078207863	670582586	/nfs/dbraw/zinc/58/25/86/670582586.db2.gz	SJEALMGZNRMMAN-UHFFFAOYSA-N	-1	3	365.430	2.175	20	30		FEEDHM
C=C(C)CN(CC)C(=O)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F	ZINC000105595245	670803542	/nfs/dbraw/zinc/80/35/42/670803542.db2.gz	JURWPDIINGNGPI-UHFFFAOYSA-N	-1	3	358.410	2.444	20	30		FEEDHM
C=C[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1cccc(Br)c1F	ZINC000575086229	671297715	/nfs/dbraw/zinc/29/77/15/671297715.db2.gz	KJAPDMMKQBOQFM-ZJUUUORDSA-N	-1	3	350.209	2.210	20	30		FEEDHM
O=S(=O)(C[C@@H](O)C/N=C/c1cc(Cl)ccc1[O-])c1cccs1	ZINC000129597902	672064878	/nfs/dbraw/zinc/06/48/78/672064878.db2.gz	ZIWMVMVXLQGKTK-QFULYMJESA-N	-1	3	359.856	2.361	20	30		FEEDHM
COC(=O)C(C)(C)[C@H]([N-]S(=O)(=O)c1ccc(C#N)o1)c1ccccc1	ZINC000588120111	672451144	/nfs/dbraw/zinc/45/11/44/672451144.db2.gz	VPYYXQQVYCOINV-OAHLLOKOSA-N	-1	3	362.407	2.370	20	30		FEEDHM
Cc1nc([C@](C)([N-]S(=O)(=O)Cc2ccc(C#N)cc2F)C2CC2)no1	ZINC000590092677	672559248	/nfs/dbraw/zinc/55/92/48/672559248.db2.gz	VIXLJEPSBFDDSD-MRXNPFEDSA-N	-1	3	364.402	2.134	20	30		FEEDHM
O=C(NCc1nc(C(F)(F)F)n[n-]1)N1CCCC[C@H]1[C@H]1CNC(=O)C1	ZINC000330164592	673086416	/nfs/dbraw/zinc/08/64/16/673086416.db2.gz	WDEMXXHPESQIFV-BDAKNGLRSA-N	-1	3	360.340	2.068	20	30		FEEDHM
C[C@@H]1CCCC[C@@H]1CCNC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000733944877	673445305	/nfs/dbraw/zinc/44/53/05/673445305.db2.gz	RNWKIXGRSNPZSN-ZIAGYGMSSA-N	-1	3	363.483	2.058	20	30		FEEDHM
N#CC1(CC(=O)NCc2ccc([O-])c(Br)c2)CCOCC1	ZINC000597408570	673475735	/nfs/dbraw/zinc/47/57/35/673475735.db2.gz	FBBQLZCQGIKKMX-UHFFFAOYSA-N	-1	3	353.216	2.481	20	30		FEEDHM
CN(C)c1nc(C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)cs1	ZINC000613931311	676153784	/nfs/dbraw/zinc/15/37/84/676153784.db2.gz	RGRHTOMOAQHWLL-UHFFFAOYSA-N	-1	3	356.860	2.213	20	30		FEEDHM
C#CCN(CC#CC)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1	ZINC000742003430	673703993	/nfs/dbraw/zinc/70/39/93/673703993.db2.gz	PKZRSUIKHJKRLF-UHFFFAOYSA-N	-1	3	364.442	2.001	20	30		FEEDHM
CCCCN(C(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21)C1CC1	ZINC000742529216	673730048	/nfs/dbraw/zinc/73/00/48/673730048.db2.gz	VIGOFHSLOMVSNJ-CYBMUJFWSA-N	-1	3	363.483	2.295	20	30		FEEDHM
CC[C@H](C)[C@H](C)NC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000742584248	673731692	/nfs/dbraw/zinc/73/16/92/673731692.db2.gz	YJZWGUWSLANVAG-AVGNSLFASA-N	-1	3	351.472	2.055	20	30		FEEDHM
O=C(Nc1cccc(C=NN2CC(=O)[N-]C2=O)c1)c1ccc(Cl)cc1	ZINC000744810590	673812126	/nfs/dbraw/zinc/81/21/26/673812126.db2.gz	SSTFUGTZDQPLQJ-UHFFFAOYSA-N	-1	3	356.769	2.478	20	30		FEEDHM
Cc1cc(Br)cc2c(C(=O)N[C@@H]3CCN([O-])C3=O)coc21	ZINC000820144804	675339109	/nfs/dbraw/zinc/33/91/09/675339109.db2.gz	YNJFYSVNDWCGBU-LLVKDONJSA-N	-1	3	353.172	2.224	20	30		FEEDHM
O=C(N[C@H]1CCN([O-])C1=O)c1ncoc1-c1cccc(C(F)(F)F)c1	ZINC000820149590	675339659	/nfs/dbraw/zinc/33/96/59/675339659.db2.gz	QBCHRIVOJTVJTO-JTQLQIEISA-N	-1	3	355.272	2.080	20	30		FEEDHM
C[C@H](Sc1ccnc2cc(Cl)ccc21)C(=O)N[C@H]1CCN([O-])C1=O	ZINC000820149503	675339833	/nfs/dbraw/zinc/33/98/33/675339833.db2.gz	PPBLLZCAUAEWAY-CABZTGNLSA-N	-1	3	365.842	2.475	20	30		FEEDHM
C#CCNC(=O)[C@@H](C)Sc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1	ZINC000823850300	675574485	/nfs/dbraw/zinc/57/44/85/675574485.db2.gz	NKMMQMZQLMTJCD-MRVPVSSYSA-N	-1	3	355.345	2.116	20	30		FEEDHM
C#CCNC(=O)[C@@H](C)Sc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1	ZINC000823850300	675574487	/nfs/dbraw/zinc/57/44/87/675574487.db2.gz	NKMMQMZQLMTJCD-MRVPVSSYSA-N	-1	3	355.345	2.116	20	30		FEEDHM
CC(C)(C#N)C(=O)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1	ZINC000824059018	675582082	/nfs/dbraw/zinc/58/20/82/675582082.db2.gz	LAVIJICQRQJAOI-UHFFFAOYSA-N	-1	3	356.777	2.194	20	30		FEEDHM
CC(C)(C)[C@@](C)(C#N)NS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1	ZINC000824071525	675582804	/nfs/dbraw/zinc/58/28/04/675582804.db2.gz	JOIIMDLUHWFUMY-CQSZACIVSA-N	-1	3	368.850	2.127	20	30		FEEDHM
CC(C)(C)[C@@](C)(C#N)NS(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1	ZINC000824071525	675582806	/nfs/dbraw/zinc/58/28/06/675582806.db2.gz	JOIIMDLUHWFUMY-CQSZACIVSA-N	-1	3	368.850	2.127	20	30		FEEDHM
C[C@@H](CC(=O)NCCCCC1CC1)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000825680499	675663348	/nfs/dbraw/zinc/66/33/48/675663348.db2.gz	MJECWGGMAOQCIP-ZDUSSCGKSA-N	-1	3	363.483	2.200	20	30		FEEDHM
COc1cccc(CC(C)N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)n1	ZINC000826215517	675684477	/nfs/dbraw/zinc/68/44/77/675684477.db2.gz	RGEPHOZVRULJID-UHFFFAOYSA-N	-1	3	358.793	2.349	20	30		FEEDHM
COc1cccc(CC(C)N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)n1	ZINC000826215517	675684478	/nfs/dbraw/zinc/68/44/78/675684478.db2.gz	RGEPHOZVRULJID-UHFFFAOYSA-N	-1	3	358.793	2.349	20	30		FEEDHM
C=CC[C@@H]([N-]S(=O)(=O)c1coc(C(=O)N(C)C)c1C)c1ccncc1	ZINC000827160214	675734885	/nfs/dbraw/zinc/73/48/85/675734885.db2.gz	MMSVCWQASRPPPQ-CQSZACIVSA-N	-1	3	363.439	2.281	20	30		FEEDHM
C#CC[C@@H]1CCCN(Cc2nc(=O)c3c(C)c(C(=O)OC)sc3[n-]2)C1	ZINC000829788948	675890969	/nfs/dbraw/zinc/89/09/69/675890969.db2.gz	KHQZKDPFLBOWHE-GFCCVEGCSA-N	-1	3	359.451	2.315	20	30		FEEDHM
Cc1cccc(-c2noc(C/N=C3/[N-]S(=O)(=O)c4ccccc43)n2)c1	ZINC000761398096	680722260	/nfs/dbraw/zinc/72/22/60/680722260.db2.gz	PLUOMIUQNFDUHY-UHFFFAOYSA-N	-1	3	354.391	2.284	20	30		FEEDHM
N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1cc2n(n1)CCCO2	ZINC000763929639	680795912	/nfs/dbraw/zinc/79/59/12/680795912.db2.gz	JGRUMXDRPYKYJB-SNVBAGLBSA-N	-1	3	362.748	2.419	20	30		FEEDHM
C#CCOc1ccccc1[C@H](C)OC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C	ZINC000764637942	680817502	/nfs/dbraw/zinc/81/75/02/680817502.db2.gz	FMKJNDYHVRRDSQ-BBRMVZONSA-N	-1	3	367.467	2.267	20	30		FEEDHM
CC(C)Oc1ccc([N-]S(=O)(=O)CC(=O)O[C@H](C#N)C(C)C)cc1	ZINC000750647267	680125885	/nfs/dbraw/zinc/12/58/85/680125885.db2.gz	MOYSGUIMXXZZKN-OAHLLOKOSA-N	-1	3	354.428	2.307	20	30		FEEDHM
C[C@H]1CN(C)CC1N=Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000752169773	680226226	/nfs/dbraw/zinc/22/62/26/680226226.db2.gz	YXOVOIWFVFWOIF-NSHDSACASA-N	-1	3	365.484	2.293	20	30		FEEDHM
CCC1(CNC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)CCC1	ZINC000752527409	680246816	/nfs/dbraw/zinc/24/68/16/680246816.db2.gz	KTWPUSXPNTWCHU-ZDUSSCGKSA-N	-1	3	363.483	2.200	20	30		FEEDHM
COc1c([O-])ccc(C=NNC(=S)NC2CCCCC2)c1[N+](=O)[O-]	ZINC000834919976	680282354	/nfs/dbraw/zinc/28/23/54/680282354.db2.gz	MVDTWAMLVWSCOX-UHFFFAOYSA-N	-1	3	352.416	2.440	20	30		FEEDHM
COc1ccc(NC(=O)C(C#N)=C([O-])c2cc3n(n2)CCC3)cc1Cl	ZINC000835066212	680292680	/nfs/dbraw/zinc/29/26/80/680292680.db2.gz	UYIFQDBQYLEDFF-LBPRGKRZSA-N	-1	3	358.785	2.452	20	30		FEEDHM
C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)c1cc(OC)c([O-])c(OC)c1	ZINC000754277513	680347475	/nfs/dbraw/zinc/34/74/75/680347475.db2.gz	BKNSUIDHWQZGJY-LBPRGKRZSA-N	-1	3	351.399	2.379	20	30		FEEDHM
C#C[C@H](CC)NC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl	ZINC000754371750	680352031	/nfs/dbraw/zinc/35/20/31/680352031.db2.gz	QNQCCJSNKHLBGH-SNVBAGLBSA-N	-1	3	363.266	2.190	20	30		FEEDHM
CCC(C)(C)CNC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000758090185	680554943	/nfs/dbraw/zinc/55/49/43/680554943.db2.gz	CVAGQTQLIRMICA-LBPRGKRZSA-N	-1	3	351.472	2.056	20	30		FEEDHM
CN(C(=O)COC(=O)c1cc(Br)c(F)cc1[O-])C(C)(C)C#N	ZINC000837781294	680648168	/nfs/dbraw/zinc/64/81/68/680648168.db2.gz	WMDXWWREICJJNA-UHFFFAOYSA-N	-1	3	373.178	2.211	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2C[C@H]2CC(C)C)ccc1F	ZINC000837908384	680659404	/nfs/dbraw/zinc/65/94/04/680659404.db2.gz	ZULXBYJFJRLQPQ-UKRRQHHQSA-N	-1	3	354.447	2.454	20	30		FEEDHM
COC(=O)c1cncc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)c1	ZINC000760197361	680679504	/nfs/dbraw/zinc/67/95/04/680679504.db2.gz	JLWZZYOUPJDEKA-AWEZNQCLSA-N	-1	3	357.753	2.483	20	30		FEEDHM
CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N1CC[C@H]1CC	ZINC000843894029	681024407	/nfs/dbraw/zinc/02/44/07/681024407.db2.gz	AGQZHNIVIBSXAV-HIFRSBDPSA-N	-1	3	363.483	2.295	20	30		FEEDHM
COCc1nc(Cl)cc([N-]N=C2c3cc(OC)ccc3N(C)C2=O)n1	ZINC000844600561	681068165	/nfs/dbraw/zinc/06/81/65/681068165.db2.gz	WLNFZQFNQMFQLT-UHFFFAOYSA-N	-1	3	361.789	2.078	20	30		FEEDHM
CN(C(=O)COC(=O)c1ccc(N)c(Cl)c1[O-])C1(C#N)CCCCC1	ZINC000845192167	681109986	/nfs/dbraw/zinc/10/99/86/681109986.db2.gz	JOFQSUGKLLOSQO-UHFFFAOYSA-N	-1	3	365.817	2.469	20	30		FEEDHM
C=C[C@H](C)O[N-]C(=O)CCCNS(=O)(=O)c1ccc2c(c1)CCCC2	ZINC000846543558	681257332	/nfs/dbraw/zinc/25/73/32/681257332.db2.gz	QUBDRISUKHEIOM-AWEZNQCLSA-N	-1	3	366.483	2.246	20	30		FEEDHM
C=C[C@@H](C)O[N-]C(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1	ZINC000846542064	681257530	/nfs/dbraw/zinc/25/75/30/681257530.db2.gz	SQQFRQAAGKBPGS-CQSZACIVSA-N	-1	3	352.456	2.026	20	30		FEEDHM
O=C(N[C@@H]1CCCN([O-])C1=O)c1cc(Br)cc2cccnc21	ZINC000848134911	681478035	/nfs/dbraw/zinc/47/80/35/681478035.db2.gz	FVMUDJYCQKEJAP-GFCCVEGCSA-N	-1	3	364.199	2.107	20	30		FEEDHM
O=C(CCCc1ccc(Br)s1)N[C@H]1CCCN([O-])C1=O	ZINC000848139325	681478546	/nfs/dbraw/zinc/47/85/46/681478546.db2.gz	ZWGYXTINFXKYRW-JTQLQIEISA-N	-1	3	361.261	2.330	20	30		FEEDHM
CCOC(=O)c1cnc([N-]N=Cc2c(C)nc3sc(C)nn23)nc1C	ZINC000777891781	681541057	/nfs/dbraw/zinc/54/10/57/681541057.db2.gz	TUNVDKGXPHWFKS-UHFFFAOYSA-N	-1	3	359.415	2.129	20	30		FEEDHM
CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N1CC=CCC1	ZINC000778985372	681669871	/nfs/dbraw/zinc/66/98/71/681669871.db2.gz	DJYXUKQQIZMLJS-HNNXBMFYSA-N	-1	3	361.467	2.072	20	30		FEEDHM
CCCC[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N1CC=CCC1	ZINC000778985374	681670111	/nfs/dbraw/zinc/67/01/11/681670111.db2.gz	DJYXUKQQIZMLJS-OAHLLOKOSA-N	-1	3	361.467	2.072	20	30		FEEDHM
CC[C@@H]([N-]S(=O)(=O)Cc1c(C)cc(C#N)cc1C)[C@H](O)C(F)(F)F	ZINC000914310078	685503573	/nfs/dbraw/zinc/50/35/73/685503573.db2.gz	QPNSZSYOFIZSAM-KGLIPLIRSA-N	-1	3	364.389	2.296	20	30		FEEDHM
CCN(C(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21)c1cccc(C)c1	ZINC000914757695	685509596	/nfs/dbraw/zinc/50/95/96/685509596.db2.gz	BYSDLVBITUCBNE-UHFFFAOYSA-N	-1	3	357.435	2.087	20	30		FEEDHM
C#C[C@H]([N-]S(=O)(=O)c1ccc(Br)s1)C1CCOCC1	ZINC000851830271	682151809	/nfs/dbraw/zinc/15/18/09/682151809.db2.gz	ZPNOWCFVEBILPW-JTQLQIEISA-N	-1	3	364.286	2.217	20	30		FEEDHM
Cc1ncc(CO)c(C=NNC(=S)N[C@@H]2CCC[C@@H](C)[C@H]2C)c1[O-]	ZINC000916352568	685523739	/nfs/dbraw/zinc/52/37/39/685523739.db2.gz	RUALWOFYIHSMIZ-UEKVPHQBSA-N	-1	3	350.488	2.211	20	30		FEEDHM
COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)OCC#N)c2)cc1	ZINC000785468421	682299620	/nfs/dbraw/zinc/29/96/20/682299620.db2.gz	IVVVNTJCKXUFCH-UHFFFAOYSA-N	-1	3	360.391	2.485	20	30		FEEDHM
C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1	ZINC000852759526	682338140	/nfs/dbraw/zinc/33/81/40/682338140.db2.gz	QEXOUUKDWVMBIJ-RDBSUJKOSA-N	-1	3	363.424	2.188	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)NCC2(SCC)CC2)ccc1F	ZINC000856066945	682738497	/nfs/dbraw/zinc/73/84/97/682738497.db2.gz	QBMSSQIDONNFDL-UHFFFAOYSA-N	-1	3	372.487	2.306	20	30		FEEDHM
Cc1ccc(N=NCc2c(Br)n[n-]c2Br)nn1	ZINC000792998268	682855986	/nfs/dbraw/zinc/85/59/86/682855986.db2.gz	GGRXDLIFWLGFDT-UHFFFAOYSA-N	-1	3	360.013	2.479	20	30		FEEDHM
CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NCCCCF	ZINC000794416564	682967293	/nfs/dbraw/zinc/96/72/93/682967293.db2.gz	RSKYUZNLSMUGRX-AWEZNQCLSA-N	-1	3	369.462	2.006	20	30		FEEDHM
C#CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(C(=O)OC)s1	ZINC000796098579	683127160	/nfs/dbraw/zinc/12/71/60/683127160.db2.gz	WJAQUOMYTBKLCH-AWEZNQCLSA-N	-1	3	363.460	2.448	20	30		FEEDHM
CCN1c2ccc(C)cc2C(=N[N-]S(=O)(=O)Cc2ccccc2)C1=O	ZINC000920383669	683337966	/nfs/dbraw/zinc/33/79/66/683337966.db2.gz	MMUNUXPFCRNJES-UHFFFAOYSA-N	-1	3	357.435	2.185	20	30		FEEDHM
C#CCC[C@@H](O)C[N-]S(=O)(=O)c1cc(Br)ccc1Cl	ZINC000798485247	683357781	/nfs/dbraw/zinc/35/77/81/683357781.db2.gz	AVKQBLVINBXWGS-SNVBAGLBSA-N	-1	3	366.664	2.155	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H]2CCC[C@H]2C)ccc1F	ZINC000798685882	683379648	/nfs/dbraw/zinc/37/96/48/683379648.db2.gz	SAZHUAYNXJUKFN-OCCSQVGLSA-N	-1	3	354.447	2.456	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)NCCCSCC)ccc1F	ZINC000800058898	683526924	/nfs/dbraw/zinc/52/69/24/683526924.db2.gz	VCYSYDABZMIEDE-UHFFFAOYSA-N	-1	3	360.476	2.163	20	30		FEEDHM
N#CC1(CS(=O)(=O)[N-]Cc2nc3c(s2)COCC3)CCCCC1	ZINC000921919674	683614634	/nfs/dbraw/zinc/61/46/34/683614634.db2.gz	SGZDSPJRCCIEJS-UHFFFAOYSA-N	-1	3	355.485	2.109	20	30		FEEDHM
O=C(Cc1ccc(Br)cc1Cl)N[C@@H]1CCCN([O-])C1=O	ZINC000868562586	684511839	/nfs/dbraw/zinc/51/18/39/684511839.db2.gz	INZWPOBMWRCXRZ-LLVKDONJSA-N	-1	3	361.623	2.141	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)NCC[C@@H]2CCCS2)ccc1F	ZINC000871030068	684781289	/nfs/dbraw/zinc/78/12/89/684781289.db2.gz	VSUWSZPKCHAXKT-ZDUSSCGKSA-N	-1	3	372.487	2.306	20	30		FEEDHM
C=CCCS(=O)(=O)[N-][C@H](C(=O)OC)c1cccc(C(F)(F)F)c1	ZINC000872544260	684975331	/nfs/dbraw/zinc/97/53/31/684975331.db2.gz	WTENWDRDTYUQSZ-LBPRGKRZSA-N	-1	3	351.346	2.415	20	30		FEEDHM
Cc1cc(NC(=O)N[C@@H]2CCCN([O-])C2=O)ccc1OCC(F)(F)F	ZINC000878773601	686655261	/nfs/dbraw/zinc/65/52/61/686655261.db2.gz	GMIJBPZUSKNVJY-LLVKDONJSA-N	-1	3	361.320	2.438	20	30		FEEDHM
O=C(Nc1cc(F)c(Br)cc1F)N[C@H]1CCCN([O-])C1=O	ZINC000879019539	686716458	/nfs/dbraw/zinc/71/64/58/686716458.db2.gz	DDLMFKGNOOBJAQ-VIFPVBQESA-N	-1	3	364.146	2.229	20	30		FEEDHM
C[C@]1([N-]C(=O)C(F)(F)F)CCN(CCC(=O)Nc2sccc2C#N)C1	ZINC000879763564	686903930	/nfs/dbraw/zinc/90/39/30/686903930.db2.gz	OZZGESRIGBPPQP-AWEZNQCLSA-N	-1	3	374.388	2.091	20	30		FEEDHM
O=C(Nc1ccc(F)c(Br)c1F)N[C@@H]1CCCN([O-])C1=O	ZINC000880141281	687005245	/nfs/dbraw/zinc/00/52/45/687005245.db2.gz	PCCIEHJOBYFTIB-MRVPVSSYSA-N	-1	3	364.146	2.229	20	30		FEEDHM
COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@@H](O)CC1(C#N)CCC1	ZINC000886065055	688198869	/nfs/dbraw/zinc/19/88/69/688198869.db2.gz	OLVLYMIWEQSOSC-HNNXBMFYSA-N	-1	3	366.845	2.465	20	30		FEEDHM
C#CC[C@@H]1CCN(C(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)C1	ZINC000887258947	688395370	/nfs/dbraw/zinc/39/53/70/688395370.db2.gz	PZJAMDSUOYLNRK-CYBMUJFWSA-N	-1	3	365.455	2.334	20	30		FEEDHM
O=C(Cn1cc(Br)ccc1=O)N([O-])Cc1ccc(F)cc1	ZINC000900094840	690471184	/nfs/dbraw/zinc/47/11/84/690471184.db2.gz	SQGHRIUBNBFDTJ-UHFFFAOYSA-N	-1	3	355.163	2.168	20	30		FEEDHM
CC(C)(C)OC(=O)N1CC(OCC(=O)N([O-])Cc2ccc(F)cc2)C1	ZINC000901372436	690641139	/nfs/dbraw/zinc/64/11/39/690641139.db2.gz	ZCFCAQBXGORRBM-UHFFFAOYSA-N	-1	3	354.378	2.179	20	30		FEEDHM
CCNS(=O)(=O)c1ccc(C(=O)N([O-])Cc2ccc(F)cc2)cc1	ZINC000901375135	690641688	/nfs/dbraw/zinc/64/16/88/690641688.db2.gz	DENWCWQMNSWGPG-UHFFFAOYSA-N	-1	3	352.387	2.156	20	30		FEEDHM
COC(=O)[C@](C)(CCF)[N-]S(=O)(=O)c1c(C#N)sc2ccccc21	ZINC000907284358	691441736	/nfs/dbraw/zinc/44/17/36/691441736.db2.gz	GMNHMTWVLFHCEO-HNNXBMFYSA-N	-1	3	370.427	2.343	20	30		FEEDHM
C=CCNC(=O)[C@@H](C)Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1	ZINC000021603410	539685033	/nfs/dbraw/zinc/68/50/33/539685033.db2.gz	QDIAAWDYEMGPAG-LLVKDONJSA-N	-1	3	355.423	2.304	20	30		FEEDHM
O=C(CCN1C(=O)COc2ccccc21)Nc1nnc(C(F)(F)F)[n-]1	ZINC000036744271	539994116	/nfs/dbraw/zinc/99/41/16/539994116.db2.gz	JKDVKYNRZYFNRA-UHFFFAOYSA-N	-1	3	355.276	2.227	20	30		FEEDHM
O=C(CCN1C(=O)COc2ccccc21)Nc1nc(C(F)(F)F)n[n-]1	ZINC000036744271	539994121	/nfs/dbraw/zinc/99/41/21/539994121.db2.gz	JKDVKYNRZYFNRA-UHFFFAOYSA-N	-1	3	355.276	2.227	20	30		FEEDHM
Cc1nccn1CCC[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000055266138	540641933	/nfs/dbraw/zinc/64/19/33/540641933.db2.gz	AWUCIETXXZJTAQ-UHFFFAOYSA-N	-1	3	372.372	2.451	20	30		FEEDHM
N#CCCN(CCC#N)C(=O)CN(Cc1ccccc1[O-])C[C@@H]1CCCO1	ZINC000070975971	541756207	/nfs/dbraw/zinc/75/62/07/541756207.db2.gz	ZEBYNLXFEZSEDR-SFHVURJKSA-N	-1	3	370.453	2.029	20	30		FEEDHM
C=CCCCN(C)C(=O)C(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1	ZINC000077862068	542428158	/nfs/dbraw/zinc/42/81/58/542428158.db2.gz	PYPMRHKJEOKISV-UHFFFAOYSA-N	-1	3	368.437	2.362	20	30		FEEDHM
CC[C@@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1c(C)nn(C)c1C	ZINC000081259729	542643107	/nfs/dbraw/zinc/64/31/07/542643107.db2.gz	RHJANPKPNJQYLF-QGZVFWFLSA-N	-1	3	369.469	2.414	20	30		FEEDHM
COCCCOc1ccc(C([O-])=C(C#N)c2nnc3n2CCCCC3)cn1	ZINC000102122656	543060948	/nfs/dbraw/zinc/06/09/48/543060948.db2.gz	JNGUFGDPAGUGGP-OAHLLOKOSA-N	-1	3	369.425	2.305	20	30		FEEDHM
COC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C#N)c1)c1cccs1	ZINC000103153165	543095685	/nfs/dbraw/zinc/09/56/85/543095685.db2.gz	DTDMUGVLJSQQIX-CYBMUJFWSA-N	-1	3	368.411	2.342	20	30		FEEDHM
C=C(C)CN1CCC(NC(=O)c2cc(C)ccc2[N-]S(C)(=O)=O)CC1	ZINC000106037588	543186136	/nfs/dbraw/zinc/18/61/36/543186136.db2.gz	CMLFZVKHIACPNB-UHFFFAOYSA-N	-1	3	365.499	2.137	20	30		FEEDHM
C=CCOc1cccc(CNCC[N-]S(=O)(=O)c2cccs2)c1	ZINC000122276747	543705124	/nfs/dbraw/zinc/70/51/24/543705124.db2.gz	FHUQMEZMVMJJSX-UHFFFAOYSA-N	-1	3	352.481	2.381	20	30		FEEDHM
Cn1c2ccccc2nc1C(C#N)=C([O-])c1ccc(S(C)(=O)=O)cc1	ZINC000122256808	543705231	/nfs/dbraw/zinc/70/52/31/543705231.db2.gz	GXFGNLWNRPSWMY-CQSZACIVSA-N	-1	3	353.403	2.467	20	30		FEEDHM
N#Cc1cc(F)c(S(=O)(=O)[N-][C@H]2CCN(C3CCCC3)C2)c(F)c1	ZINC000125210544	543868102	/nfs/dbraw/zinc/86/81/02/543868102.db2.gz	LIPRUCYTJXWOLR-LBPRGKRZSA-N	-1	3	355.410	2.132	20	30		FEEDHM
N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H](CO)c1ccccc1	ZINC000125440307	543881836	/nfs/dbraw/zinc/88/18/36/543881836.db2.gz	ACUFEKFCZGXNOT-AWEZNQCLSA-N	-1	3	350.827	2.266	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-][C@H](CO)Cc2ccccc2)c(Cl)c1	ZINC000125933107	543909481	/nfs/dbraw/zinc/90/94/81/543909481.db2.gz	VJXBCOUDAWGRGC-AWEZNQCLSA-N	-1	3	350.827	2.094	20	30		FEEDHM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]CCC[C@H]1CCCC[C@@H]1O	ZINC000127877306	544018730	/nfs/dbraw/zinc/01/87/30/544018730.db2.gz	ZKOYIASDTIFRSS-DOMZBBRYSA-N	-1	3	367.427	2.076	20	30		FEEDHM
CC1CCN(CCC[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)CC1	ZINC000128406525	544050931	/nfs/dbraw/zinc/05/09/31/544050931.db2.gz	ZYPDNLNMMZDRDV-UHFFFAOYSA-N	-1	3	357.426	2.237	20	30		FEEDHM
COc1ccc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c([O-])c1	ZINC000129877776	544130529	/nfs/dbraw/zinc/13/05/29/544130529.db2.gz	CRTYDZUVYRAWFI-UHFFFAOYSA-N	-1	3	353.422	2.476	20	30		FEEDHM
N#Cc1ccccc1OCCN1CCN(C(=O)c2ccc([O-])cc2)CC1	ZINC000130991581	544173221	/nfs/dbraw/zinc/17/32/21/544173221.db2.gz	DQTYSXJTEVBXPJ-UHFFFAOYSA-N	-1	3	351.406	2.101	20	30		FEEDHM
N#CCc1ccc(NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1	ZINC000136738308	544378320	/nfs/dbraw/zinc/37/83/20/544378320.db2.gz	VEODXWCFGLVFPL-UHFFFAOYSA-N	-1	3	364.405	2.448	20	30		FEEDHM
CN(C)C[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(C#N)cc1F	ZINC000151091337	544504146	/nfs/dbraw/zinc/50/41/46/544504146.db2.gz	FUDGCMQPUXVYSY-INIZCTEOSA-N	-1	3	361.442	2.149	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]CCOc2ccc(F)c(F)c2)c(F)c1	ZINC000151164332	544511916	/nfs/dbraw/zinc/51/19/16/544511916.db2.gz	ROHDWCTZAOUOLT-UHFFFAOYSA-N	-1	3	356.325	2.333	20	30		FEEDHM
CC[C@@H](C)[N-]C(=S)C(C(=O)c1cnn(C)c1)[n+]1cccc([O-])c1Cl	ZINC000151933181	544597596	/nfs/dbraw/zinc/59/75/96/544597596.db2.gz	HCWVBUKFXZBWDY-SNVBAGLBSA-O	-1	3	367.882	2.394	20	30		FEEDHM
Cn1cc(C(=O)C(C(=S)[N-][C@@H]2C[C@H]3CC[C@@H]2C3)[n+]2cccc([O-])c2)cn1	ZINC000151926394	544596399	/nfs/dbraw/zinc/59/63/99/544596399.db2.gz	CSKGEFBZTJOQMO-WOSRLPQWSA-O	-1	3	371.486	2.130	20	30		FEEDHM
Cc1cccc2c1[n-]cc(C(=O)N1CCN(c3ncccc3C#N)CC1)c2=O	ZINC000155110099	544990657	/nfs/dbraw/zinc/99/06/57/544990657.db2.gz	VMHKZKRZTSZVFJ-UHFFFAOYSA-N	-1	3	373.416	2.478	20	30		FEEDHM
CC(C)Oc1ccc([N-]S(=O)(=O)CC(=O)OCC2(C#N)CC2)cc1	ZINC000802992960	674213067	/nfs/dbraw/zinc/21/30/67/674213067.db2.gz	SUQASIPYWHURLJ-UHFFFAOYSA-N	-1	3	352.412	2.062	20	30		FEEDHM
COC(=O)CC1([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)CCCC1	ZINC000193017529	328352380	/nfs/dbraw/zinc/35/23/80/328352380.db2.gz	UPLBCYHOXAQTKH-UHFFFAOYSA-N	-1	3	356.831	2.366	20	30		FEEDHM
N#Cc1ccc(CCC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1	ZINC000029689646	324450868	/nfs/dbraw/zinc/45/08/68/324450868.db2.gz	GABRSAKJWVJDNF-UHFFFAOYSA-N	-1	3	363.417	2.181	20	30		FEEDHM
CC[C@H](C)[C@H](O)C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000119433380	326161613	/nfs/dbraw/zinc/16/16/13/326161613.db2.gz	SFEOTGSACGPCKB-JOYOIKCWSA-N	-1	3	350.362	2.262	20	30		FEEDHM
COCc1nc(C)c(C(=O)[N-]c2ncn(Cc3ccc(C#N)cc3)n2)s1	ZINC000121205543	326321252	/nfs/dbraw/zinc/32/12/52/326321252.db2.gz	GJBFIYNLULVYQD-UHFFFAOYSA-N	-1	3	368.422	2.362	20	30		FEEDHM
CC[C@@H](CCO)C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000121481835	326342054	/nfs/dbraw/zinc/34/20/54/326342054.db2.gz	LSAFUIGIGXOPSB-JTQLQIEISA-N	-1	3	350.362	2.264	20	30		FEEDHM
CSc1[n-]c(=O)c(C(=O)N(CCN(C)C)Cc2ccc(C)o2)cc1C#N	ZINC000150763903	326667282	/nfs/dbraw/zinc/66/72/82/326667282.db2.gz	HRXBSORITPZATN-UHFFFAOYSA-N	-1	3	374.466	2.074	20	30		FEEDHM
COc1ccc(-n2ccc(C[N-]S(=O)(=O)c3ccccc3C#N)n2)cc1	ZINC000156727051	326842109	/nfs/dbraw/zinc/84/21/09/326842109.db2.gz	OUIZPOSOJKFVTP-UHFFFAOYSA-N	-1	3	368.418	2.231	20	30		FEEDHM
CC[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)[C@@H](O)C(F)(F)F	ZINC000274645547	329967509	/nfs/dbraw/zinc/96/75/09/329967509.db2.gz	AXBBULKLUBBGAH-GXSJLCMTSA-N	-1	3	356.753	2.192	20	30		FEEDHM
COC(=O)C1([N-]S(=O)(=O)c2ccc(F)cc2C#N)CCCCCC1	ZINC000156342657	545619341	/nfs/dbraw/zinc/61/93/41/545619341.db2.gz	REYZCADNJHYDTO-UHFFFAOYSA-N	-1	3	354.403	2.242	20	30		FEEDHM
C=CCCOCC[N-]S(=O)(=O)c1cc(OC)ccc1Br	ZINC000163381962	546144512	/nfs/dbraw/zinc/14/45/12/546144512.db2.gz	GZFOMIVXLNFYJQ-UHFFFAOYSA-N	-1	3	364.261	2.329	20	30		FEEDHM
C=CCN1CCC([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1	ZINC000171537732	546213888	/nfs/dbraw/zinc/21/38/88/546213888.db2.gz	LSGJRIPCYBHVMO-UHFFFAOYSA-N	-1	3	359.835	2.177	20	30		FEEDHM
N#CCCCCS(=O)(=O)[N-][C@H]1CCCN(c2ccccc2Cl)C1=O	ZINC000173330906	546277902	/nfs/dbraw/zinc/27/79/02/546277902.db2.gz	DDBNOPOFOANWFY-AWEZNQCLSA-N	-1	3	369.874	2.449	20	30		FEEDHM
N#CCCCS(=O)(=O)[N-][C@H]1CCCN(c2ccccc2Cl)C1=O	ZINC000173331181	546278311	/nfs/dbraw/zinc/27/83/11/546278311.db2.gz	PYJLJEAYLDWFKU-ZDUSSCGKSA-N	-1	3	355.847	2.059	20	30		FEEDHM
N#CCc1ccc(CS(=O)(=O)c2nnc(Cc3ccccc3)[n-]2)cc1	ZINC000479632877	561193816	/nfs/dbraw/zinc/19/38/16/561193816.db2.gz	DJIYAPPYQHOVFQ-UHFFFAOYSA-N	-1	3	352.419	2.435	20	30		FEEDHM
Cc1cc(Br)c(S(=O)(=O)[N-]CC#N)c(Br)c1	ZINC000479981087	561200565	/nfs/dbraw/zinc/20/05/65/561200565.db2.gz	BLSCNTRXAPIWNS-UHFFFAOYSA-N	-1	3	368.050	2.322	20	30		FEEDHM
COc1cc(Br)c(F)cc1S(=O)(=O)[N-]C[C@H](C)C#N	ZINC000180051184	547043998	/nfs/dbraw/zinc/04/39/98/547043998.db2.gz	OFPPSARYAKZTGT-SSDOTTSWSA-N	-1	3	351.197	2.035	20	30		FEEDHM
C=C(C)CN(CC)C(=O)C(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1	ZINC000180921518	547210004	/nfs/dbraw/zinc/21/00/04/547210004.db2.gz	USHXYELIFPHKRR-UHFFFAOYSA-N	-1	3	368.437	2.362	20	30		FEEDHM
Cn1cc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)cc(Cl)c1=O	ZINC000183090155	547599816	/nfs/dbraw/zinc/59/98/16/547599816.db2.gz	GIJWKPJAUOERQI-UHFFFAOYSA-N	-1	3	358.206	2.365	20	30		FEEDHM
CC[C@@H](C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1	ZINC000188104265	548271393	/nfs/dbraw/zinc/27/13/93/548271393.db2.gz	FIFZVRQWRULKSL-AAEUAGOBSA-N	-1	3	358.847	2.336	20	30		FEEDHM
C#CCN(C)C(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl	ZINC000191130355	548340315	/nfs/dbraw/zinc/34/03/15/548340315.db2.gz	NYCLTSVMWDXJLZ-UHFFFAOYSA-N	-1	3	361.250	2.139	20	30		FEEDHM
C[C@H](C(=O)NC1(C#N)CCCCC1)N(C)Cc1nc2ccsc2c(=O)[n-]1	ZINC000192704802	548371092	/nfs/dbraw/zinc/37/10/92/548371092.db2.gz	FRBMTZMKFLNULD-GFCCVEGCSA-N	-1	3	373.482	2.148	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)c(F)c1)c1cn(-c2ccccc2)nn1	ZINC000489708596	561417446	/nfs/dbraw/zinc/41/74/46/561417446.db2.gz	ZAUUUIRDYVSHAV-GFCCVEGCSA-N	-1	3	371.397	2.318	20	30		FEEDHM
CC(C)CCN(CCC#N)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000271309459	550363324	/nfs/dbraw/zinc/36/33/24/550363324.db2.gz	SGFGPVBRKFLPFQ-UHFFFAOYSA-N	-1	3	353.444	2.166	20	30		FEEDHM
CCO[N-]C(=O)Nc1cccc(S(=O)(=O)N=C2CCCCCN2C)c1	ZINC000273774712	550511060	/nfs/dbraw/zinc/51/10/60/550511060.db2.gz	WJGPTAXIHMTIRF-XDJHFCHBSA-N	-1	3	368.459	2.353	20	30		FEEDHM
COC(=O)[C@H]1C[C@@H](C)CCN1C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C	ZINC000274817620	550557026	/nfs/dbraw/zinc/55/70/26/550557026.db2.gz	RODZFJZCUJVKQY-MEDUHNTESA-N	-1	3	359.426	2.008	20	30		FEEDHM
CCN(CCC#N)C(=O)C(=O)[N-]c1scc(CC(C)C)c1C(=O)OC	ZINC000275589583	550573104	/nfs/dbraw/zinc/57/31/04/550573104.db2.gz	DGIPJSDSJNBRIC-UHFFFAOYSA-N	-1	3	365.455	2.434	20	30		FEEDHM
C=C(Cl)C[N-]S(=O)(=O)c1cc(OC)c(Br)cc1OC	ZINC000275847779	550574820	/nfs/dbraw/zinc/57/48/20/550574820.db2.gz	WVPZAJCQBCLVPY-UHFFFAOYSA-N	-1	3	370.652	2.497	20	30		FEEDHM
C=CCCN(C)C(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1C(F)(F)F	ZINC000276440735	550578461	/nfs/dbraw/zinc/57/84/61/550578461.db2.gz	SQZCQZKCYXXGGP-NSHDSACASA-N	-1	3	364.389	2.407	20	30		FEEDHM
CC(C)(C)[C@@H](CO)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000276658523	550582588	/nfs/dbraw/zinc/58/25/88/550582588.db2.gz	DTWJKBQCSMQPLD-GFCCVEGCSA-N	-1	3	350.362	2.262	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)c1cccnc1C#N)c1ccc(NC(=O)C2CC2)cc1	ZINC000277108680	550633150	/nfs/dbraw/zinc/63/31/50/550633150.db2.gz	XQEUXKMQOJWKRB-GFCCVEGCSA-N	-1	3	370.434	2.341	20	30		FEEDHM
COc1cc(F)c([C@@H](C)[N-]S(=O)(=O)c2cccnc2C#N)cc1OC	ZINC000277125519	550634962	/nfs/dbraw/zinc/63/49/62/550634962.db2.gz	ZRDBSFGJKMBEPY-SNVBAGLBSA-N	-1	3	365.386	2.149	20	30		FEEDHM
C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[N-]S(=O)(=O)c1cccnc1C#N	ZINC000277189905	550641508	/nfs/dbraw/zinc/64/15/08/550641508.db2.gz	OMFYDPVRJGKJOE-WBVHZDCISA-N	-1	3	370.478	2.142	20	30		FEEDHM
N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2cc(F)cc3[n-]nnc32)CC1	ZINC000277536273	550681598	/nfs/dbraw/zinc/68/15/98/550681598.db2.gz	VBAKSJWVWCEJTJ-KRWDZBQOSA-N	-1	3	364.384	2.120	20	30		FEEDHM
N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2cc(F)cc3nn[n-]c32)CC1	ZINC000277536273	550681600	/nfs/dbraw/zinc/68/16/00/550681600.db2.gz	VBAKSJWVWCEJTJ-KRWDZBQOSA-N	-1	3	364.384	2.120	20	30		FEEDHM
N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2cc(F)cc3n[n-]nc32)CC1	ZINC000277536273	550681602	/nfs/dbraw/zinc/68/16/02/550681602.db2.gz	VBAKSJWVWCEJTJ-KRWDZBQOSA-N	-1	3	364.384	2.120	20	30		FEEDHM
CCOC(=O)c1nnc(C2CCN(c3cc(C#N)ccc3[N+](=O)[O-])CC2)[n-]1	ZINC000277812331	550717017	/nfs/dbraw/zinc/71/70/17/550717017.db2.gz	IBCUCSRVCYLDKV-UHFFFAOYSA-N	-1	3	370.369	2.145	20	30		FEEDHM
CCOC(=O)c1nc(C2CCN(c3cc(C#N)ccc3[N+](=O)[O-])CC2)n[n-]1	ZINC000277812331	550717018	/nfs/dbraw/zinc/71/70/18/550717018.db2.gz	IBCUCSRVCYLDKV-UHFFFAOYSA-N	-1	3	370.369	2.145	20	30		FEEDHM
CCOC(=O)c1n[n-]c(C2CCN(c3cc(C#N)ccc3[N+](=O)[O-])CC2)n1	ZINC000277812331	550717020	/nfs/dbraw/zinc/71/70/20/550717020.db2.gz	IBCUCSRVCYLDKV-UHFFFAOYSA-N	-1	3	370.369	2.145	20	30		FEEDHM
Cc1cc(S(=O)(=O)[N-][C@@H](c2cnn(C)c2)C(F)(F)F)ccc1C#N	ZINC000278575181	550800804	/nfs/dbraw/zinc/80/08/04/550800804.db2.gz	DKPJJRUBLJEQMI-ZDUSSCGKSA-N	-1	3	358.345	2.182	20	30		FEEDHM
Cc1nc([C@@](C)(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C2CC2)no1	ZINC000497613988	561504791	/nfs/dbraw/zinc/50/47/91/561504791.db2.gz	XNXZEQQMFHAYJX-IBGZPJMESA-N	-1	3	369.425	2.341	20	30		FEEDHM
CC[C@H](CCO)C[N-]S(=O)(=O)c1cccc(Br)c1C#N	ZINC000283538039	551383657	/nfs/dbraw/zinc/38/36/57/551383657.db2.gz	MYPQMPWVLREPCM-SNVBAGLBSA-N	-1	3	361.261	2.008	20	30		FEEDHM
COC(=O)c1c(C)csc1[N-]C(=O)C(=O)N(C)Cc1ccc(C#N)cc1	ZINC000498208897	561518735	/nfs/dbraw/zinc/51/87/35/561518735.db2.gz	FQBJSGGXYUQVNS-UHFFFAOYSA-N	-1	3	371.418	2.312	20	30		FEEDHM
CC[C@H](C)NC(=O)c1cccc(C[N-]S(=O)(=O)c2ccc(C#N)o2)c1	ZINC000286599224	551904532	/nfs/dbraw/zinc/90/45/32/551904532.db2.gz	LALYHNIINBWLBU-LBPRGKRZSA-N	-1	3	361.423	2.158	20	30		FEEDHM
N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@H]1CC[C@H](CO)CC1	ZINC000287788387	552046665	/nfs/dbraw/zinc/04/66/65/552046665.db2.gz	KYWITDZZNWEGSE-XYPYZODXSA-N	-1	3	373.272	2.150	20	30		FEEDHM
C[C@@H](O)C[C@H](C)C[N-]S(=O)(=O)c1cccc(Br)c1C#N	ZINC000288052118	552081340	/nfs/dbraw/zinc/08/13/40/552081340.db2.gz	IPWAUZLOLVGKMO-VHSXEESVSA-N	-1	3	361.261	2.006	20	30		FEEDHM
Cc1ccc(N2CC[C@@H]([N-]S(=O)(=O)Cc3ccc(C#N)cc3)C2=O)cc1	ZINC000288405143	552148268	/nfs/dbraw/zinc/14/82/68/552148268.db2.gz	QRKZCDNQHCFQBW-GOSISDBHSA-N	-1	3	369.446	2.092	20	30		FEEDHM
CC(C)OCc1nc([C@@H](C)[N-]S(=O)(=O)Cc2cccc(C#N)c2)no1	ZINC000289620030	552351121	/nfs/dbraw/zinc/35/11/21/552351121.db2.gz	SSZWJZOSQBDMEL-GFCCVEGCSA-N	-1	3	364.427	2.047	20	30		FEEDHM
CC(C)(CO)[C@@H]([N-]S(=O)(=O)c1cncc(C#N)c1)c1cccs1	ZINC000290185015	552439851	/nfs/dbraw/zinc/43/98/51/552439851.db2.gz	RISLEAOJTPFPMR-AWEZNQCLSA-N	-1	3	351.453	2.053	20	30		FEEDHM
N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@H](CO)Cc1ccc(F)cc1	ZINC000501189583	561592186	/nfs/dbraw/zinc/59/21/86/561592186.db2.gz	ZDUPWZASXDFPEV-HNNXBMFYSA-N	-1	3	368.817	2.233	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCC[C@H]1OC(F)F	ZINC000501320784	561595093	/nfs/dbraw/zinc/59/50/93/561595093.db2.gz	BVJJXJKDVJYXHK-ZIAGYGMSSA-N	-1	3	353.369	2.485	20	30		FEEDHM
Cc1nsc(N2CCN(C(=O)c3ccc(C)c(O)c3[O-])CC2)c1C#N	ZINC000291872028	552670520	/nfs/dbraw/zinc/67/05/20/552670520.db2.gz	KAZWONRYCIKEJJ-UHFFFAOYSA-N	-1	3	358.423	2.005	20	30		FEEDHM
Cc1cc(C[N-]S(=O)(=O)c2cccc(C)c2C#N)nc(N2CCCC2)n1	ZINC000292145570	552698363	/nfs/dbraw/zinc/69/83/63/552698363.db2.gz	ZOPOECWAKWPGMO-UHFFFAOYSA-N	-1	3	371.466	2.044	20	30		FEEDHM
CC[C@@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2ccc(C#N)c(F)c2)n[nH]1	ZINC000292589110	552740973	/nfs/dbraw/zinc/74/09/73/552740973.db2.gz	MJIWULLJAXQBKA-ZJUUUORDSA-N	-1	3	351.407	2.368	20	30		FEEDHM
C=CCC(F)(F)C(=O)[N-][C@H]1CCN(c2cc(OC)cc(OC)c2)C1=O	ZINC000293098057	552788518	/nfs/dbraw/zinc/78/85/18/552788518.db2.gz	BRCOXELTLMBBJB-AWEZNQCLSA-N	-1	3	354.353	2.137	20	30		FEEDHM
Cc1cc(C)c(NC(=O)C[N-]S(=O)(=O)CC(C)(C)CC#N)c(C)c1	ZINC000295167538	552965717	/nfs/dbraw/zinc/96/57/17/552965717.db2.gz	HXNNLGDARKOWGL-UHFFFAOYSA-N	-1	3	351.472	2.410	20	30		FEEDHM
CC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)[C@@H](O)C(F)F	ZINC000295732810	553051927	/nfs/dbraw/zinc/05/19/27/553051927.db2.gz	MTGRYVYXEDZWER-MWLCHTKSSA-N	-1	3	372.315	2.260	20	30		FEEDHM
C#CCO[C@@H](C)C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1	ZINC000295829282	553064736	/nfs/dbraw/zinc/06/47/36/553064736.db2.gz	MKHDMYVZECOXSA-LBPRGKRZSA-N	-1	3	364.829	2.261	20	30		FEEDHM
N#CCCN1CCN(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)CC1	ZINC000603043742	553699987	/nfs/dbraw/zinc/69/99/87/553699987.db2.gz	OPXHNHVIQHNNDP-UHFFFAOYSA-N	-1	3	364.759	2.162	20	30		FEEDHM
C=C1CCN(C(=O)C2([N-]S(=O)(=O)c3c(C)noc3C)CCCC2)CC1	ZINC000530579421	562416641	/nfs/dbraw/zinc/41/66/41/562416641.db2.gz	LTBPRNQPKVYZTJ-UHFFFAOYSA-N	-1	3	367.471	2.061	20	30		FEEDHM
Cc1nc(S(=O)(=O)[N-]CC(=O)N[C@@H]2CCCc3sccc32)cn1C	ZINC000329777181	554004147	/nfs/dbraw/zinc/00/41/47/554004147.db2.gz	OTAAZOLMDSNKLT-GFCCVEGCSA-N	-1	3	368.484	2.102	20	30		FEEDHM
C[C@@H](C#N)CN(C)S(=O)(=O)[N-][C@@H](C)c1nc(C2CCCCC2)no1	ZINC000330381638	554114016	/nfs/dbraw/zinc/11/40/16/554114016.db2.gz	IJNYOVALFFGQOB-RYUDHWBXSA-N	-1	3	355.464	2.104	20	30		FEEDHM
N#Cc1ccc(NCC[N-]S(=O)(=O)c2ccc(F)cc2Cl)cn1	ZINC000509529469	561803944	/nfs/dbraw/zinc/80/39/44/561803944.db2.gz	UZUJUSMBFJLPSG-UHFFFAOYSA-N	-1	3	354.794	2.136	20	30		FEEDHM
Cc1ccnc(NCC[N-]S(=O)(=O)c2ccc(F)cc2Cl)c1C#N	ZINC000509527635	561803968	/nfs/dbraw/zinc/80/39/68/561803968.db2.gz	OLERYASMDUVYTD-UHFFFAOYSA-N	-1	3	368.821	2.445	20	30		FEEDHM
Cc1oc(C#N)cc1C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1	ZINC000332305443	554421388	/nfs/dbraw/zinc/42/13/88/554421388.db2.gz	LXOATVVVDPQRTI-UHFFFAOYSA-N	-1	3	353.378	2.200	20	30		FEEDHM
CC(C)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1)c1nncn1C	ZINC000510368280	561832670	/nfs/dbraw/zinc/83/26/70/561832670.db2.gz	BRQKAFRJPMDYRA-CYBMUJFWSA-N	-1	3	353.835	2.016	20	30		FEEDHM
C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N=c1[n-]n(C)cc1C#N	ZINC000610563517	554530126	/nfs/dbraw/zinc/53/01/26/554530126.db2.gz	HAPKEEQJPZGUBR-RHSMWYFYSA-N	-1	3	352.442	2.324	20	30		FEEDHM
N#CCC1(CS(=O)(=O)[N-][C@@H]2CCN(c3ccccc3Cl)C2=O)CC1	ZINC000333392308	554608872	/nfs/dbraw/zinc/60/88/72/554608872.db2.gz	HEIXALYOINIGDU-CYBMUJFWSA-N	-1	3	367.858	2.059	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-]C1CCN(c2cccc(F)c2)CC1	ZINC000364327888	555292102	/nfs/dbraw/zinc/29/21/02/555292102.db2.gz	BGUGLFBKBFDNGY-UHFFFAOYSA-N	-1	3	360.414	2.040	20	30		FEEDHM
Cn1cc(C#N)c(=NC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)[n-]1	ZINC000619320211	555765338	/nfs/dbraw/zinc/76/53/38/555765338.db2.gz	UANREWZMLCQHRK-UHFFFAOYSA-N	-1	3	370.379	2.219	20	30		FEEDHM
Cn1[n-]c(-c2ccccc2Cl)nc1=NC(=O)COc1ccc(C#N)cc1	ZINC000368252771	556259236	/nfs/dbraw/zinc/25/92/36/556259236.db2.gz	NLQHFGSQCCCSFM-UHFFFAOYSA-N	-1	3	367.796	2.447	20	30		FEEDHM
C=C[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1ccc(Br)c(F)c1	ZINC000516540069	562046790	/nfs/dbraw/zinc/04/67/90/562046790.db2.gz	ABMMVDCPXZDPOM-NEPJUHHUSA-N	-1	3	350.209	2.210	20	30		FEEDHM
COc1ncnc(OC)c1C(=O)[N-]c1nc(C)c(SCC#N)s1	ZINC000517655090	562094891	/nfs/dbraw/zinc/09/48/91/562094891.db2.gz	UAWGWZMRRQHZRZ-UHFFFAOYSA-N	-1	3	351.413	2.127	20	30		FEEDHM
Cn1cc([C@@H]([N-]S(=O)(=O)c2ccc(F)cc2C#N)c2ccccc2)cn1	ZINC000371753892	557284033	/nfs/dbraw/zinc/28/40/33/557284033.db2.gz	QXDOAKDIZVPDBE-SFHVURJKSA-N	-1	3	370.409	2.499	20	30		FEEDHM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]Cc1cccc2c1CCCN2	ZINC000376745465	558216100	/nfs/dbraw/zinc/21/61/00/558216100.db2.gz	FIUXXKKDVDRGII-UHFFFAOYSA-N	-1	3	372.406	2.303	20	30		FEEDHM
C[C@H](c1ccccc1)N1CCC([N-]S(=O)(=O)c2cccnc2C#N)CC1	ZINC000376985624	558248353	/nfs/dbraw/zinc/24/83/53/558248353.db2.gz	OHCAZLMNNLJFRO-OAHLLOKOSA-N	-1	3	370.478	2.457	20	30		FEEDHM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H]1CCCC12CCOCC2	ZINC000409911200	558726972	/nfs/dbraw/zinc/72/69/72/558726972.db2.gz	VSJAXKYGNSGRFA-HNNXBMFYSA-N	-1	3	365.411	2.094	20	30		FEEDHM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]CCc1cccc2[nH]ccc21	ZINC000409920051	558727590	/nfs/dbraw/zinc/72/75/90/558727590.db2.gz	QRPBAARLNWDKOL-UHFFFAOYSA-N	-1	3	370.390	2.469	20	30		FEEDHM
CN(C)CCOc1ccc([N-]S(=O)(=O)c2ccc(C#N)o2)c(F)c1	ZINC000414466860	559166257	/nfs/dbraw/zinc/16/62/57/559166257.db2.gz	ABVOELFCCFBRQU-UHFFFAOYSA-N	-1	3	353.375	2.032	20	30		FEEDHM
CC[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1C#N)C(C)(C)O	ZINC000416490574	559317202	/nfs/dbraw/zinc/31/72/02/559317202.db2.gz	VJYBIQODGGWMPS-LBPRGKRZSA-N	-1	3	361.261	2.149	20	30		FEEDHM
C=CCC[C@@H](CO)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000416493627	559317365	/nfs/dbraw/zinc/31/73/65/559317365.db2.gz	FTEAHOBTSINEMV-JTQLQIEISA-N	-1	3	368.333	2.219	20	30		FEEDHM
C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2cccc(Br)c2C#N)[C@H](C)O1	ZINC000416603738	559324569	/nfs/dbraw/zinc/32/45/69/559324569.db2.gz	KYEZNXGPYIOXHA-OUAUKWLOSA-N	-1	3	373.272	2.413	20	30		FEEDHM
COC1([C@@H](C)[N-]S(=O)(=O)c2cccc(Cl)c2C#N)CCOCC1	ZINC000420757228	559502762	/nfs/dbraw/zinc/50/27/62/559502762.db2.gz	DXMXLNGFQCQINP-LLVKDONJSA-N	-1	3	358.847	2.074	20	30		FEEDHM
COC(=O)[C@H](CNC(=O)c1cccc(CC#N)c1)Cc1ccc([O-])c(F)c1	ZINC000422033282	559561849	/nfs/dbraw/zinc/56/18/49/559561849.db2.gz	BTZWRCNMBNAZMD-INIZCTEOSA-N	-1	3	370.380	2.359	20	30		FEEDHM
C=CCn1cc(CNCc2ccc(OC)c([O-])c2Br)nn1	ZINC000424172410	559656810	/nfs/dbraw/zinc/65/68/10/559656810.db2.gz	NUPVKXCZGRZFAT-UHFFFAOYSA-N	-1	3	353.220	2.231	20	30		FEEDHM
Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CC[C@H](C#N)C2)c1	ZINC000424967348	559681565	/nfs/dbraw/zinc/68/15/65/559681565.db2.gz	QDSAPLFGVKKPBX-NWDGAFQWSA-N	-1	3	354.366	2.363	20	30		FEEDHM
COC(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c1	ZINC000427118256	559748312	/nfs/dbraw/zinc/74/83/12/559748312.db2.gz	VIWGDVKSVVJSMX-UHFFFAOYSA-N	-1	3	352.318	2.424	20	30		FEEDHM
N#Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]CC(F)(F)F)cc2)o1	ZINC000427997056	559767167	/nfs/dbraw/zinc/76/71/67/559767167.db2.gz	QMOKZHQDZPAMIV-UHFFFAOYSA-N	-1	3	373.312	2.244	20	30		FEEDHM
C=CCN(C(=O)c1cc(=O)[n-]c(N(C)C)n1)c1nc2c(s1)CCCC2	ZINC000433688791	559886428	/nfs/dbraw/zinc/88/64/28/559886428.db2.gz	MCNKOLVCOKQHJE-UHFFFAOYSA-N	-1	3	359.455	2.416	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]Cc2cccc(Cn3ccnc3)c2)s1	ZINC000435427934	559922706	/nfs/dbraw/zinc/92/27/06/559922706.db2.gz	PMLQZLAUQVRYAK-UHFFFAOYSA-N	-1	3	358.448	2.343	20	30		FEEDHM
COc1ccccc1O[C@H](C)C[N-]S(=O)(=O)c1ccc(C#N)s1	ZINC000435445039	559923451	/nfs/dbraw/zinc/92/34/51/559923451.db2.gz	CDGIEHSGZRYXOK-LLVKDONJSA-N	-1	3	352.437	2.374	20	30		FEEDHM
COc1ccc2c(c1)[n-]cc(C(=O)NCCOc1ccc(C#N)cc1)c2=O	ZINC000440188875	560006383	/nfs/dbraw/zinc/00/63/83/560006383.db2.gz	XBNWJVGWGDHEJA-UHFFFAOYSA-N	-1	3	363.373	2.217	20	30		FEEDHM
N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CCC(=O)NC1CCCCC1	ZINC000443013056	560066037	/nfs/dbraw/zinc/06/60/37/560066037.db2.gz	VFGLURPAOQGOID-UHFFFAOYSA-N	-1	3	369.874	2.329	20	30		FEEDHM
CN(C)[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N)c1ccco1	ZINC000443106668	560070954	/nfs/dbraw/zinc/07/09/54/560070954.db2.gz	WOQKEMJZIWRXOA-ZDUSSCGKSA-N	-1	3	353.831	2.386	20	30		FEEDHM
O=S(=O)([N-][C@@H](CO)CC(F)(F)F)c1ccc(C(F)(F)F)cc1F	ZINC000444202858	560105346	/nfs/dbraw/zinc/10/53/46/560105346.db2.gz	XSMITAMQUJMUJT-SSDOTTSWSA-N	-1	3	369.258	2.436	20	30		FEEDHM
CC(C)(C)n1ncnc1C[N-]S(=O)(=O)c1ccc(CC#N)cc1Cl	ZINC000451501646	560310653	/nfs/dbraw/zinc/31/06/53/560310653.db2.gz	OUIMRJOOWHVCRE-UHFFFAOYSA-N	-1	3	367.862	2.231	20	30		FEEDHM
N#Cc1ccc(C(=O)C[N-]S(=O)(=O)C[C@H]2CCCCC2(F)F)cc1	ZINC000451516879	560311519	/nfs/dbraw/zinc/31/15/19/560311519.db2.gz	KMZVSCXTVJFFDV-CQSZACIVSA-N	-1	3	356.394	2.486	20	30		FEEDHM
CCC1(C[N-]S(=O)(=O)c2cccc(Br)c2C#N)COC1	ZINC000451951433	560340314	/nfs/dbraw/zinc/34/03/14/560340314.db2.gz	LGMJDBKGXWEOPU-UHFFFAOYSA-N	-1	3	359.245	2.026	20	30		FEEDHM
CC(C)[C@@H]1C[C@H](C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CCO1	ZINC000451818013	560330611	/nfs/dbraw/zinc/33/06/11/560330611.db2.gz	NHNHVELBXVCJIQ-DOMZBBRYSA-N	-1	3	367.427	2.196	20	30		FEEDHM
C=CCC[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)C(=O)OCC	ZINC000451998123	560343987	/nfs/dbraw/zinc/34/39/87/560343987.db2.gz	RWAJTJNQHTYJKJ-CYBMUJFWSA-N	-1	3	356.831	2.388	20	30		FEEDHM
Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NCc1ccc(C#N)c(F)c1	ZINC000456843592	560534239	/nfs/dbraw/zinc/53/42/39/560534239.db2.gz	SEQZTIKXPWOSKL-UHFFFAOYSA-N	-1	3	365.368	2.492	20	30		FEEDHM
Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)COc2ccc(C#N)cc2)c1	ZINC000461020531	560759547	/nfs/dbraw/zinc/75/95/47/560759547.db2.gz	FLSXYJCFEZHXIA-UHFFFAOYSA-N	-1	3	359.407	2.256	20	30		FEEDHM
C[C@H](C(=O)Nc1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1)c1cccc(C#N)c1	ZINC000461919130	560788048	/nfs/dbraw/zinc/78/80/48/560788048.db2.gz	MFLPNTJMYFQJSC-FKIZINRSSA-N	-1	3	362.389	2.355	20	30		FEEDHM
C=C(C)COc1cccc(NC(=O)c2ccc(S(=O)(=O)[N-]C)nc2)c1	ZINC000472555967	561029175	/nfs/dbraw/zinc/02/91/75/561029175.db2.gz	MNCIQMDXPYMSIG-UHFFFAOYSA-N	-1	3	361.423	2.197	20	30		FEEDHM
N#Cc1c(Br)cccc1S(=O)(=O)[N-]CC[C@H]1CCCOC1	ZINC000528449452	562329967	/nfs/dbraw/zinc/32/99/67/562329967.db2.gz	LTKOUCXZKKPCJZ-LLVKDONJSA-N	-1	3	373.272	2.416	20	30		FEEDHM
N#Cc1ccc(Br)cc1S(=O)(=O)[N-]CC[C@H]1CCCOC1	ZINC000528453171	562330161	/nfs/dbraw/zinc/33/01/61/562330161.db2.gz	ZCPVHZGUDSIOCS-LLVKDONJSA-N	-1	3	373.272	2.416	20	30		FEEDHM
COc1cccc([C@@H](C[N-]S(=O)(=O)c2ccc(C#N)s2)OC)c1	ZINC000528454678	562330313	/nfs/dbraw/zinc/33/03/13/562330313.db2.gz	ZJKMFHNYJKKOSV-CQSZACIVSA-N	-1	3	352.437	2.294	20	30		FEEDHM
CC(C)(C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C(=O)N1CCCC1	ZINC000528560485	562336484	/nfs/dbraw/zinc/33/64/84/562336484.db2.gz	KMYPQULLMKKHMS-UHFFFAOYSA-N	-1	3	369.874	2.139	20	30		FEEDHM
CC(C)c1csc(C(C#N)=C([O-])c2cc(S(=O)(=O)N(C)C)c[nH]2)n1	ZINC000531091744	562434446	/nfs/dbraw/zinc/43/44/46/562434446.db2.gz	YCEBSRAEWFTVSP-NSHDSACASA-N	-1	3	366.468	2.335	20	30		FEEDHM
N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CC1(O)Cc2ccccc2C1	ZINC000532769262	562488095	/nfs/dbraw/zinc/48/80/95/562488095.db2.gz	FOEQFVVZBAIOEL-UHFFFAOYSA-N	-1	3	362.838	2.020	20	30		FEEDHM
Cn1c2ccccc2nc1C(C#N)=C([O-])c1cncc(N2CCOCC2)c1	ZINC000534583131	562537432	/nfs/dbraw/zinc/53/74/32/562537432.db2.gz	UQWXDDBWLBRSIC-INIZCTEOSA-N	-1	3	361.405	2.295	20	30		FEEDHM
C=CCCC[C@@H](C)NC(=O)CC[N-]S(=O)(=O)c1ccc(F)c(F)c1	ZINC000537226941	562588117	/nfs/dbraw/zinc/58/81/17/562588117.db2.gz	STZKKQHKOCNYMZ-GFCCVEGCSA-N	-1	3	360.426	2.494	20	30		FEEDHM
CC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C(=O)OC	ZINC000568624063	568100452	/nfs/dbraw/zinc/10/04/52/568100452.db2.gz	FSTCJQJDWBFCQG-ZWNOBZJWSA-N	-1	3	358.847	2.468	20	30		FEEDHM
N#Cc1cc(NC(=O)[C@@H](c2ccccc2)n2cccn2)ccc1-c1nnn[n-]1	ZINC000737705031	598913609	/nfs/dbraw/zinc/91/36/09/598913609.db2.gz	METZZBUAJSKMOG-QGZVFWFLSA-N	-1	3	370.376	2.163	20	30		FEEDHM
N#Cc1cc(NC(=O)[C@@H](c2ccccc2)n2cccn2)ccc1-c1nn[n-]n1	ZINC000737705031	598913612	/nfs/dbraw/zinc/91/36/12/598913612.db2.gz	METZZBUAJSKMOG-QGZVFWFLSA-N	-1	3	370.376	2.163	20	30		FEEDHM
CCSc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cn1	ZINC000736667425	598930043	/nfs/dbraw/zinc/93/00/43/598930043.db2.gz	QAGSBLJMXYNAMG-UHFFFAOYSA-N	-1	3	351.395	2.498	20	30		FEEDHM
CCSc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cn1	ZINC000736667425	598930044	/nfs/dbraw/zinc/93/00/44/598930044.db2.gz	QAGSBLJMXYNAMG-UHFFFAOYSA-N	-1	3	351.395	2.498	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2ccc(Br)cn2)cc1-c1nnn[n-]1	ZINC000737720187	599192462	/nfs/dbraw/zinc/19/24/62/599192462.db2.gz	ZHDFNDIMLLSEDG-UHFFFAOYSA-N	-1	3	370.170	2.148	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2ccc(Br)cn2)cc1-c1nn[n-]n1	ZINC000737720187	599192464	/nfs/dbraw/zinc/19/24/64/599192464.db2.gz	ZHDFNDIMLLSEDG-UHFFFAOYSA-N	-1	3	370.170	2.148	20	30		FEEDHM
C=CCNc1ncc(C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)s1	ZINC000819751582	607263370	/nfs/dbraw/zinc/26/33/70/607263370.db2.gz	XGCAEJUTZBOYEX-UHFFFAOYSA-N	-1	3	360.374	2.417	20	30		FEEDHM
C=CCNc1ncc(C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)s1	ZINC000819751582	607263371	/nfs/dbraw/zinc/26/33/71/607263371.db2.gz	XGCAEJUTZBOYEX-UHFFFAOYSA-N	-1	3	360.374	2.417	20	30		FEEDHM
C=CCNc1ncc(C(=O)OCc2cc(F)ccc2-c2nnn[n-]2)s1	ZINC000819750633	607263428	/nfs/dbraw/zinc/26/34/28/607263428.db2.gz	IAAWOZXPKNHOGX-UHFFFAOYSA-N	-1	3	360.374	2.417	20	30		FEEDHM
C=CCNc1ncc(C(=O)OCc2cc(F)ccc2-c2nn[n-]n2)s1	ZINC000819750633	607263429	/nfs/dbraw/zinc/26/34/29/607263429.db2.gz	IAAWOZXPKNHOGX-UHFFFAOYSA-N	-1	3	360.374	2.417	20	30		FEEDHM
C[C@H](Sc1nc(N)c(C#N)cc1-c1nnn[n-]1)c1cccc([N+](=O)[O-])c1	ZINC000736193311	598272475	/nfs/dbraw/zinc/27/24/75/598272475.db2.gz	RLQDDHNRVPZWEX-QMMMGPOBSA-N	-1	3	368.382	2.477	20	30		FEEDHM
C[C@H](Sc1nc(N)c(C#N)cc1-c1nn[n-]n1)c1cccc([N+](=O)[O-])c1	ZINC000736193311	598272476	/nfs/dbraw/zinc/27/24/76/598272476.db2.gz	RLQDDHNRVPZWEX-QMMMGPOBSA-N	-1	3	368.382	2.477	20	30		FEEDHM
C#CC[C@@H](OC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1)c1ccccn1	ZINC000735375047	598291282	/nfs/dbraw/zinc/29/12/82/598291282.db2.gz	IMBXRULABCEERC-SUMWQHHRSA-N	-1	3	363.377	2.337	20	30		FEEDHM
C#CC[C@@H](OC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1)c1ccccn1	ZINC000735375047	598291284	/nfs/dbraw/zinc/29/12/84/598291284.db2.gz	IMBXRULABCEERC-SUMWQHHRSA-N	-1	3	363.377	2.337	20	30		FEEDHM
CCC[C@H](C#N)NC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1	ZINC000736415273	598331668	/nfs/dbraw/zinc/33/16/68/598331668.db2.gz	GDKSTPAJLRIUEI-GFCCVEGCSA-N	-1	3	366.381	2.461	20	30		FEEDHM
CCC[C@H](C#N)NC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1	ZINC000736415273	598331670	/nfs/dbraw/zinc/33/16/70/598331670.db2.gz	GDKSTPAJLRIUEI-GFCCVEGCSA-N	-1	3	366.381	2.461	20	30		FEEDHM
C#CCOc1cccc(OC(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)c1	ZINC000735387975	598421900	/nfs/dbraw/zinc/42/19/00/598421900.db2.gz	MZWTWHKZBHMNLY-CYBMUJFWSA-N	-1	3	364.361	2.252	20	30		FEEDHM
C#CCOc1cccc(OC(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)c1	ZINC000735387975	598421902	/nfs/dbraw/zinc/42/19/02/598421902.db2.gz	MZWTWHKZBHMNLY-CYBMUJFWSA-N	-1	3	364.361	2.252	20	30		FEEDHM
CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc(C#N)cn1	ZINC000735830865	598442262	/nfs/dbraw/zinc/44/22/62/598442262.db2.gz	KNDYARAOGAHPEC-UHFFFAOYSA-N	-1	3	361.409	2.432	20	30		FEEDHM
CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc(C#N)cn1	ZINC000735830865	598442264	/nfs/dbraw/zinc/44/22/64/598442264.db2.gz	KNDYARAOGAHPEC-UHFFFAOYSA-N	-1	3	361.409	2.432	20	30		FEEDHM
N#Cc1ccc(N2CCC[C@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)c(F)c1	ZINC000737718211	598593729	/nfs/dbraw/zinc/59/37/29/598593729.db2.gz	MHDDFGZBVLPQRA-AWEZNQCLSA-N	-1	3	364.388	2.353	20	30		FEEDHM
N#Cc1ccc(N2CCC[C@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)c(F)c1	ZINC000737718211	598593731	/nfs/dbraw/zinc/59/37/31/598593731.db2.gz	MHDDFGZBVLPQRA-AWEZNQCLSA-N	-1	3	364.388	2.353	20	30		FEEDHM
N#Cc1ccc(N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3F)C2)nc1	ZINC000737719915	598594189	/nfs/dbraw/zinc/59/41/89/598594189.db2.gz	WZKJMSOMUJTOIK-CQSZACIVSA-N	-1	3	364.388	2.353	20	30		FEEDHM
N#CCc1ccc(NC(=O)CNc2ccc(F)c(-c3nnn[n-]3)c2)cc1	ZINC000737698494	598603455	/nfs/dbraw/zinc/60/34/55/598603455.db2.gz	ZLGVWXPUNUPKQQ-UHFFFAOYSA-N	-1	3	351.345	2.122	20	30		FEEDHM
N#CCc1ccc(NC(=O)CNc2ccc(F)c(-c3nn[n-]n3)c2)cc1	ZINC000737698494	598603456	/nfs/dbraw/zinc/60/34/56/598603456.db2.gz	ZLGVWXPUNUPKQQ-UHFFFAOYSA-N	-1	3	351.345	2.122	20	30		FEEDHM
C=CCN(Cc1ccccc1)S(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1	ZINC000735426834	598689467	/nfs/dbraw/zinc/68/94/67/598689467.db2.gz	YNOMNVOSFGARER-UHFFFAOYSA-N	-1	3	373.413	2.383	20	30		FEEDHM
N#CCC[C@@H](C#N)CN1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1	ZINC000737682306	598789006	/nfs/dbraw/zinc/78/90/06/598789006.db2.gz	HDWHEQOOJPPNLH-AWEZNQCLSA-N	-1	3	351.414	2.153	20	30		FEEDHM
N#CCC[C@@H](C#N)CN1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1	ZINC000737682306	598789007	/nfs/dbraw/zinc/78/90/07/598789007.db2.gz	HDWHEQOOJPPNLH-AWEZNQCLSA-N	-1	3	351.414	2.153	20	30		FEEDHM
Cc1cc(C#N)ccc1S(=O)(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1	ZINC000822160866	599323678	/nfs/dbraw/zinc/32/36/78/599323678.db2.gz	LJEVQCVTHATUMV-LBPRGKRZSA-N	-1	3	368.422	2.086	20	30		FEEDHM
Cc1cc(C#N)ccc1S(=O)(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1	ZINC000822160866	599323680	/nfs/dbraw/zinc/32/36/80/599323680.db2.gz	LJEVQCVTHATUMV-LBPRGKRZSA-N	-1	3	368.422	2.086	20	30		FEEDHM
C[C@@H](Oc1ccccc1C#N)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1	ZINC000820548721	599509806	/nfs/dbraw/zinc/50/98/06/599509806.db2.gz	FVQZMWQAGMHIHL-CHWSQXEVSA-N	-1	3	362.393	2.383	20	30		FEEDHM
C[C@@H](Oc1ccccc1C#N)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1	ZINC000820548721	599509809	/nfs/dbraw/zinc/50/98/09/599509809.db2.gz	FVQZMWQAGMHIHL-CHWSQXEVSA-N	-1	3	362.393	2.383	20	30		FEEDHM
C=CCCCCCN(C)C(=O)C(=O)Nc1cccc(C)c1-c1nnn[n-]1	ZINC000819740127	599608195	/nfs/dbraw/zinc/60/81/95/599608195.db2.gz	QJBAEKZAMJUNSU-UHFFFAOYSA-N	-1	3	356.430	2.318	20	30		FEEDHM
C=CCCCCCN(C)C(=O)C(=O)Nc1cccc(C)c1-c1nn[n-]n1	ZINC000819740127	599608197	/nfs/dbraw/zinc/60/81/97/599608197.db2.gz	QJBAEKZAMJUNSU-UHFFFAOYSA-N	-1	3	356.430	2.318	20	30		FEEDHM
COc1ccc(NC(=O)C(C#N)=C([O-])c2cnn(CCF)c2)cc1Cl	ZINC000808979496	674476890	/nfs/dbraw/zinc/47/68/90/674476890.db2.gz	JECXQAZPJQCLRA-GFCCVEGCSA-N	-1	3	364.764	2.476	20	30		FEEDHM
Cn1cc(C([O-])=C(C#N)C(=O)Nc2ccc(SC(F)F)cc2)nn1	ZINC000808978905	674476916	/nfs/dbraw/zinc/47/69/16/674476916.db2.gz	CKORAVBGHHCUHT-JTQLQIEISA-N	-1	3	351.338	2.091	20	30		FEEDHM
C=C(C)CN1CCC(NC(=O)NCCOc2ccc(C(=O)[O-])cc2)CC1	ZINC000736095361	599943706	/nfs/dbraw/zinc/94/37/06/599943706.db2.gz	RMORWXOWGGCVAW-UHFFFAOYSA-N	-1	3	361.442	2.103	20	30		FEEDHM
CN(C(=O)CSc1ccc(C#N)cc1)c1ccc(-c2nnn[n-]2)cc1	ZINC000825820374	607434945	/nfs/dbraw/zinc/43/49/45/607434945.db2.gz	CAZLQHVCCPAZOY-UHFFFAOYSA-N	-1	3	350.407	2.493	20	30		FEEDHM
CN(C(=O)CSc1ccc(C#N)cc1)c1ccc(-c2nn[n-]n2)cc1	ZINC000825820374	607434947	/nfs/dbraw/zinc/43/49/47/607434947.db2.gz	CAZLQHVCCPAZOY-UHFFFAOYSA-N	-1	3	350.407	2.493	20	30		FEEDHM
COc1ccc(Cn2cc(C#N)c(=O)c3ccccc32)cc1-c1nnn[n-]1	ZINC000826208249	607545877	/nfs/dbraw/zinc/54/58/77/607545877.db2.gz	BBBCNMYEMUXSRQ-UHFFFAOYSA-N	-1	3	358.361	2.110	20	30		FEEDHM
COc1ccc(Cn2cc(C#N)c(=O)c3ccccc32)cc1-c1nn[n-]n1	ZINC000826208249	607545879	/nfs/dbraw/zinc/54/58/79/607545879.db2.gz	BBBCNMYEMUXSRQ-UHFFFAOYSA-N	-1	3	358.361	2.110	20	30		FEEDHM
COc1ccc(CNc2ccc(C#N)cc2[N+](=O)[O-])cc1-c1nnn[n-]1	ZINC000826203981	607561942	/nfs/dbraw/zinc/56/19/42/607561942.db2.gz	PWNAHXLLGMZMSH-UHFFFAOYSA-N	-1	3	351.326	2.267	20	30		FEEDHM
COc1ccc(CNc2ccc(C#N)cc2[N+](=O)[O-])cc1-c1nn[n-]n1	ZINC000826203981	607561944	/nfs/dbraw/zinc/56/19/44/607561944.db2.gz	PWNAHXLLGMZMSH-UHFFFAOYSA-N	-1	3	351.326	2.267	20	30		FEEDHM
COc1ccc(NC(=O)C(C#N)C(=O)CC(C)(C)NC(=O)[O-])cc1Cl	ZINC000739914029	603160653	/nfs/dbraw/zinc/16/06/53/603160653.db2.gz	AQSAZEGPUNLYIT-JTQLQIEISA-N	-1	3	367.789	2.432	20	30		FEEDHM
COCCN(CC(=O)C(C#N)c1nc(-c2ccncc2)cs1)C(=O)[O-]	ZINC000739814576	603170176	/nfs/dbraw/zinc/17/01/76/603170176.db2.gz	UBSNSDCDURVACR-GFCCVEGCSA-N	-1	3	360.395	2.008	20	30		FEEDHM
Cc1nnc(-c2cccc(C#N)c2)n1CN1CC[C@@H](NC(=O)[O-])[C@@H](C)C1	ZINC000740251512	603398083	/nfs/dbraw/zinc/39/80/83/603398083.db2.gz	CKQBUJWASHLCDE-BLLLJJGKSA-N	-1	3	354.414	2.061	20	30		FEEDHM
Cc1nnc(-c2cccc(C#N)c2)n1CN1CCC[C@@H]1CN(C)C(=O)[O-]	ZINC000830875498	603612723	/nfs/dbraw/zinc/61/27/23/603612723.db2.gz	BXMAJXIVFRUJGU-MRXNPFEDSA-N	-1	3	354.414	2.157	20	30		FEEDHM
C[C@@H](C(=O)[O-])N1CCN([C@H](C#N)c2ccc(Br)cc2)CC1	ZINC000819895347	604617427	/nfs/dbraw/zinc/61/74/27/604617427.db2.gz	FVEMRQWEDHNOBP-SMDDNHRTSA-N	-1	3	352.232	2.104	20	30		FEEDHM
CCOC(=O)Nc1ccc(NC(=O)N(CC)CCC#N)cc1-c1nnn[n-]1	ZINC000825530729	607766676	/nfs/dbraw/zinc/76/66/76/607766676.db2.gz	DSAIAAPEXDBEJT-UHFFFAOYSA-N	-1	3	372.389	2.203	20	30		FEEDHM
CCOC(=O)Nc1ccc(NC(=O)N(CC)CCC#N)cc1-c1nn[n-]n1	ZINC000825530729	607766677	/nfs/dbraw/zinc/76/66/77/607766677.db2.gz	DSAIAAPEXDBEJT-UHFFFAOYSA-N	-1	3	372.389	2.203	20	30		FEEDHM
C[C@@H]1C[C@H](CNC(=O)[O-])CN1CC(=O)C(C#N)c1nc2ccccc2s1	ZINC000833827987	605882914	/nfs/dbraw/zinc/88/29/14/605882914.db2.gz	COCLPCZEAQYBMZ-UPJWGTAASA-N	-1	3	372.450	2.451	20	30		FEEDHM
N#Cc1ccc(C(=O)OCCCOc2ccc(-c3nn[n-]n3)cc2)s1	ZINC000822825494	606136736	/nfs/dbraw/zinc/13/67/36/606136736.db2.gz	HSVFHZBEVHEKMF-UHFFFAOYSA-N	-1	3	355.379	2.426	20	30		FEEDHM
Cc1ccc(-c2nnn[n-]2)cc1N[C@H]1CCN(c2sccc2C#N)C1=O	ZINC000822220632	606248391	/nfs/dbraw/zinc/24/83/91/606248391.db2.gz	ZLTVURRXSVSUDJ-ZDUSSCGKSA-N	-1	3	365.422	2.326	20	30		FEEDHM
Cc1ccc(-c2nn[n-]n2)cc1N[C@H]1CCN(c2sccc2C#N)C1=O	ZINC000822220632	606248392	/nfs/dbraw/zinc/24/83/92/606248392.db2.gz	ZLTVURRXSVSUDJ-ZDUSSCGKSA-N	-1	3	365.422	2.326	20	30		FEEDHM
CN(C(=O)COc1ccccc1-c1nnn[n-]1)c1cc(Cl)ccc1C#N	ZINC000821570612	606412759	/nfs/dbraw/zinc/41/27/59/606412759.db2.gz	CUJUSYNGUFQZOV-UHFFFAOYSA-N	-1	3	368.784	2.434	20	30		FEEDHM
CN(C(=O)COc1ccccc1-c1nn[n-]n1)c1cc(Cl)ccc1C#N	ZINC000821570612	606412761	/nfs/dbraw/zinc/41/27/61/606412761.db2.gz	CUJUSYNGUFQZOV-UHFFFAOYSA-N	-1	3	368.784	2.434	20	30		FEEDHM
C=CCNC(=O)CSCc1ccc(-c2nnn[n-]2)cc1OC(F)F	ZINC000819751586	606597776	/nfs/dbraw/zinc/59/77/76/606597776.db2.gz	XGFIFPJWEKMHJQ-UHFFFAOYSA-N	-1	3	355.370	2.004	20	30		FEEDHM
C=CCNC(=O)CSCc1ccc(-c2nn[n-]n2)cc1OC(F)F	ZINC000819751586	606597778	/nfs/dbraw/zinc/59/77/78/606597778.db2.gz	XGFIFPJWEKMHJQ-UHFFFAOYSA-N	-1	3	355.370	2.004	20	30		FEEDHM
CC(C)C(=O)N1CCC(=NOCc2ccc(-c3nnn[n-]3)cc2F)CC1	ZINC000820010587	606768880	/nfs/dbraw/zinc/76/88/80/606768880.db2.gz	AGCNGEHQHSJPBR-UHFFFAOYSA-N	-1	3	360.393	2.157	20	30		FEEDHM
CC(C)C(=O)N1CCC(=NOCc2ccc(-c3nn[n-]n3)cc2F)CC1	ZINC000820010587	606768882	/nfs/dbraw/zinc/76/88/82/606768882.db2.gz	AGCNGEHQHSJPBR-UHFFFAOYSA-N	-1	3	360.393	2.157	20	30		FEEDHM
N#Cc1cc(COC(=O)CNc2ccc(-c3nn[n-]n3)cc2)ccc1F	ZINC000822818833	606997454	/nfs/dbraw/zinc/99/74/54/606997454.db2.gz	HESDTGMWOZRGSU-UHFFFAOYSA-N	-1	3	352.329	2.033	20	30		FEEDHM
C=C(Br)COC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1	ZINC000819718919	607119217	/nfs/dbraw/zinc/11/92/17/607119217.db2.gz	UQWHGTGZLUABAA-UHFFFAOYSA-N	-1	3	367.203	2.476	20	30		FEEDHM
C=C(Br)COC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1	ZINC000819718919	607119216	/nfs/dbraw/zinc/11/92/16/607119216.db2.gz	UQWHGTGZLUABAA-UHFFFAOYSA-N	-1	3	367.203	2.476	20	30		FEEDHM
N#Cc1ccccc1S(=O)(=O)[N-]c1ccc(-c2nn[nH]n2)cc1Cl	ZINC000822842384	607122840	/nfs/dbraw/zinc/12/28/40/607122840.db2.gz	GBQOZBGWWIMBHA-UHFFFAOYSA-N	-1	3	360.786	2.193	20	30		FEEDHM
CCCn1nc(C)c(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c1C	ZINC000821148306	607143787	/nfs/dbraw/zinc/14/37/87/607143787.db2.gz	NSNOLFSRSJWDIT-UHFFFAOYSA-N	-1	3	350.386	2.214	20	30		FEEDHM
CCCn1nc(C)c(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c1C	ZINC000821148306	607143789	/nfs/dbraw/zinc/14/37/89/607143789.db2.gz	NSNOLFSRSJWDIT-UHFFFAOYSA-N	-1	3	350.386	2.214	20	30		FEEDHM
S=C(NN=Cc1c[nH]c2ccc(-c3nnn[n-]3)cc12)Nc1cccnc1	ZINC000823733374	607146155	/nfs/dbraw/zinc/14/61/55/607146155.db2.gz	VXPIBPXGJZFYIJ-UHFFFAOYSA-N	-1	3	363.410	2.064	20	30		FEEDHM
S=C(NN=Cc1c[nH]c2ccc(-c3nn[n-]n3)cc12)Nc1cccnc1	ZINC000823733374	607146156	/nfs/dbraw/zinc/14/61/56/607146156.db2.gz	VXPIBPXGJZFYIJ-UHFFFAOYSA-N	-1	3	363.410	2.064	20	30		FEEDHM
Cc1onc(-c2ccccn2)c1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1	ZINC000822553630	607238248	/nfs/dbraw/zinc/23/82/48/607238248.db2.gz	NXTUCFDOYVLNNT-UHFFFAOYSA-N	-1	3	372.348	2.349	20	30		FEEDHM
Cc1onc(-c2ccccn2)c1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1	ZINC000822553630	607238249	/nfs/dbraw/zinc/23/82/49/607238249.db2.gz	NXTUCFDOYVLNNT-UHFFFAOYSA-N	-1	3	372.348	2.349	20	30		FEEDHM
CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1nnn(-c2ccccc2)c1C	ZINC000819772934	607252343	/nfs/dbraw/zinc/25/23/43/607252343.db2.gz	NBWIIYRYSVYXEP-UHFFFAOYSA-N	-1	3	373.424	2.270	20	30		FEEDHM
CC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1nnn(-c2ccccc2)c1C	ZINC000819772934	607252344	/nfs/dbraw/zinc/25/23/44/607252344.db2.gz	NBWIIYRYSVYXEP-UHFFFAOYSA-N	-1	3	373.424	2.270	20	30		FEEDHM
C#CCOCCC(=O)N(Cc1ccccc1)c1ccccc1-c1nnn[n-]1	ZINC000823849929	607922850	/nfs/dbraw/zinc/92/28/50/607922850.db2.gz	CZLMKXZSDWNRMH-UHFFFAOYSA-N	-1	3	361.405	2.440	20	30		FEEDHM
C#CCOCCC(=O)N(Cc1ccccc1)c1ccccc1-c1nn[n-]n1	ZINC000823849929	607922851	/nfs/dbraw/zinc/92/28/51/607922851.db2.gz	CZLMKXZSDWNRMH-UHFFFAOYSA-N	-1	3	361.405	2.440	20	30		FEEDHM
O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1ccc(Cl)nc1	ZINC000826403645	607982275	/nfs/dbraw/zinc/98/22/75/607982275.db2.gz	XYYVUKBHDZKDOR-ARJAWSKDSA-N	-1	3	351.757	2.459	20	30		FEEDHM
O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1ccc(Cl)nc1	ZINC000826403645	607982276	/nfs/dbraw/zinc/98/22/76/607982276.db2.gz	XYYVUKBHDZKDOR-ARJAWSKDSA-N	-1	3	351.757	2.459	20	30		FEEDHM
N#Cc1ccc(F)cc1CN1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1	ZINC000826385372	608070722	/nfs/dbraw/zinc/07/07/22/608070722.db2.gz	JFBBTCCMXMDBSU-GOSISDBHSA-N	-1	3	364.384	2.451	20	30		FEEDHM
N#Cc1ccc(F)cc1CN1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1	ZINC000826385372	608070723	/nfs/dbraw/zinc/07/07/23/608070723.db2.gz	JFBBTCCMXMDBSU-GOSISDBHSA-N	-1	3	364.384	2.451	20	30		FEEDHM
CC(=NNc1ccc(S(C)(=O)=O)cc1)c1ccc(-c2nnn[n-]2)s1	ZINC000823958536	608094793	/nfs/dbraw/zinc/09/47/93/608094793.db2.gz	PYMIZGUTGXFMOY-UHFFFAOYSA-N	-1	3	362.440	2.168	20	30		FEEDHM
Cc1sc(NC(=O)CN2CCC[C@@](C)(C#N)C2)c(-c2nnn[n-]2)c1C	ZINC000826349243	608126199	/nfs/dbraw/zinc/12/61/99/608126199.db2.gz	AOZPZHYHXUKTEY-INIZCTEOSA-N	-1	3	359.459	2.109	20	30		FEEDHM
Cc1sc(NC(=O)CN2CCC[C@@](C)(C#N)C2)c(-c2nn[n-]n2)c1C	ZINC000826349243	608126200	/nfs/dbraw/zinc/12/62/00/608126200.db2.gz	AOZPZHYHXUKTEY-INIZCTEOSA-N	-1	3	359.459	2.109	20	30		FEEDHM
C=CCN(C(=O)CSc1nc(C)c(C)c(C)c1-c1nnn[n-]1)C1CC1	ZINC000823899592	608277879	/nfs/dbraw/zinc/27/78/79/608277879.db2.gz	ZEMBBEMMADGXEC-UHFFFAOYSA-N	-1	3	358.471	2.456	20	30		FEEDHM
C=CCN(C(=O)CSc1nc(C)c(C)c(C)c1-c1nn[n-]n1)C1CC1	ZINC000823899592	608277880	/nfs/dbraw/zinc/27/78/80/608277880.db2.gz	ZEMBBEMMADGXEC-UHFFFAOYSA-N	-1	3	358.471	2.456	20	30		FEEDHM
COc1cc(-c2nnn[n-]2)ccc1CON=C1CCC2(CC1)OCCO2	ZINC000826173034	608323576	/nfs/dbraw/zinc/32/35/76/608323576.db2.gz	KDXVEZFLWORSEH-UHFFFAOYSA-N	-1	3	359.386	2.065	20	30		FEEDHM
COc1cc(-c2nn[n-]n2)ccc1CON=C1CCC2(CC1)OCCO2	ZINC000826173034	608323578	/nfs/dbraw/zinc/32/35/78/608323578.db2.gz	KDXVEZFLWORSEH-UHFFFAOYSA-N	-1	3	359.386	2.065	20	30		FEEDHM
COc1cc(-c2nnn[n-]2)ccc1CON=C(N)c1ccc(Cl)cc1	ZINC000826173344	608324355	/nfs/dbraw/zinc/32/43/55/608324355.db2.gz	ZGJXBQZMTXKEQO-UHFFFAOYSA-N	-1	3	358.789	2.366	20	30		FEEDHM
COc1cc(-c2nn[n-]n2)ccc1CON=C(N)c1ccc(Cl)cc1	ZINC000826173344	608324357	/nfs/dbraw/zinc/32/43/57/608324357.db2.gz	ZGJXBQZMTXKEQO-UHFFFAOYSA-N	-1	3	358.789	2.366	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cn(C)nc1CC	ZINC000823909376	608341495	/nfs/dbraw/zinc/34/14/95/608341495.db2.gz	AUMKEUKJZGRLMX-UHFFFAOYSA-N	-1	3	366.429	2.383	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cn(C)nc1CC	ZINC000823909376	608341497	/nfs/dbraw/zinc/34/14/97/608341497.db2.gz	AUMKEUKJZGRLMX-UHFFFAOYSA-N	-1	3	366.429	2.383	20	30		FEEDHM
C#Cc1cccc(NC(=O)CN(C)Cc2cccc(-c3nnn[n-]3)c2F)c1	ZINC000823861929	608385662	/nfs/dbraw/zinc/38/56/62/608385662.db2.gz	TZQMCOXARDPFHY-UHFFFAOYSA-N	-1	3	364.384	2.058	20	30		FEEDHM
C#Cc1cccc(NC(=O)CN(C)Cc2cccc(-c3nn[n-]n3)c2F)c1	ZINC000823861929	608385664	/nfs/dbraw/zinc/38/56/64/608385664.db2.gz	TZQMCOXARDPFHY-UHFFFAOYSA-N	-1	3	364.384	2.058	20	30		FEEDHM
N#Cc1cccc(COC(=O)CNc2ccc(-c3nn[n-]n3)cc2)c1F	ZINC000826386449	608445140	/nfs/dbraw/zinc/44/51/40/608445140.db2.gz	FVHJKLNNCPSUQJ-UHFFFAOYSA-N	-1	3	352.329	2.033	20	30		FEEDHM
N#CCOc1ccccc1C(=O)OCc1cccc(-c2nnn[n-]2)c1F	ZINC000826382030	608445312	/nfs/dbraw/zinc/44/53/12/608445312.db2.gz	LMIUVEXZINULBU-UHFFFAOYSA-N	-1	3	353.313	2.265	20	30		FEEDHM
N#CCOc1ccccc1C(=O)OCc1cccc(-c2nn[n-]n2)c1F	ZINC000826382030	608445313	/nfs/dbraw/zinc/44/53/13/608445313.db2.gz	LMIUVEXZINULBU-UHFFFAOYSA-N	-1	3	353.313	2.265	20	30		FEEDHM
C=CCOc1cccnc1C(=O)OCc1ccc(-c2nnn[n-]2)cc1F	ZINC000823931618	608457003	/nfs/dbraw/zinc/45/70/03/608457003.db2.gz	BOXZZDFUDDSYPA-UHFFFAOYSA-N	-1	3	355.329	2.323	20	30		FEEDHM
C=CCOc1cccnc1C(=O)OCc1ccc(-c2nn[n-]n2)cc1F	ZINC000823931618	608457004	/nfs/dbraw/zinc/45/70/04/608457004.db2.gz	BOXZZDFUDDSYPA-UHFFFAOYSA-N	-1	3	355.329	2.323	20	30		FEEDHM
C=CCOc1cccnc1C(=O)OCc1ccc(-c2nnn[n-]2)cc1C	ZINC000823932422	608473979	/nfs/dbraw/zinc/47/39/79/608473979.db2.gz	XSFOBQJPAZQNCH-UHFFFAOYSA-N	-1	3	351.366	2.492	20	30		FEEDHM
C=CCOc1cccnc1C(=O)OCc1ccc(-c2nn[n-]n2)cc1C	ZINC000823932422	608473981	/nfs/dbraw/zinc/47/39/81/608473981.db2.gz	XSFOBQJPAZQNCH-UHFFFAOYSA-N	-1	3	351.366	2.492	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@H]1CCC[C@@H]1OC	ZINC000823910214	608537579	/nfs/dbraw/zinc/53/75/79/608537579.db2.gz	ZATFWXYJFAYHRL-SJORKVTESA-N	-1	3	370.457	2.379	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@H]1CCC[C@@H]1OC	ZINC000823910214	608537581	/nfs/dbraw/zinc/53/75/81/608537581.db2.gz	ZATFWXYJFAYHRL-SJORKVTESA-N	-1	3	370.457	2.379	20	30		FEEDHM
Clc1cc(-c2nnn[n-]2)cc(N=NCc2ccc3c(c2)OCCO3)n1	ZINC000826350251	608540898	/nfs/dbraw/zinc/54/08/98/608540898.db2.gz	NUKQJODNSHUWJO-UHFFFAOYSA-N	-1	3	357.761	2.132	20	30		FEEDHM
Clc1cc(-c2nn[n-]n2)cc(N=NCc2ccc3c(c2)OCCO3)n1	ZINC000826350251	608540899	/nfs/dbraw/zinc/54/08/99/608540899.db2.gz	NUKQJODNSHUWJO-UHFFFAOYSA-N	-1	3	357.761	2.132	20	30		FEEDHM
N#Cc1cccc(NC2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)n1	ZINC000826387473	608558808	/nfs/dbraw/zinc/55/88/08/608558808.db2.gz	WWBHNASVWJYJSZ-UHFFFAOYSA-N	-1	3	362.397	2.330	20	30		FEEDHM
N#Cc1cccc(NC2CCC(Oc3ccc(-c4nn[n-]n4)cn3)CC2)n1	ZINC000826387473	608558810	/nfs/dbraw/zinc/55/88/10/608558810.db2.gz	WWBHNASVWJYJSZ-UHFFFAOYSA-N	-1	3	362.397	2.330	20	30		FEEDHM
N#Cc1ccccc1N1CCN(Cc2cccc(-c3nnn[n-]3)c2F)CC1	ZINC000826387492	608649117	/nfs/dbraw/zinc/64/91/17/608649117.db2.gz	XVHUHOLERBGMGI-UHFFFAOYSA-N	-1	3	363.400	2.200	20	30		FEEDHM
N#Cc1ccccc1N1CCN(Cc2cccc(-c3nn[n-]n3)c2F)CC1	ZINC000826387492	608649120	/nfs/dbraw/zinc/64/91/20/608649120.db2.gz	XVHUHOLERBGMGI-UHFFFAOYSA-N	-1	3	363.400	2.200	20	30		FEEDHM
N#CC1(c2ccc(C(=O)NCCOc3ccc(-c4nn[n-]n4)cc3)cc2)CC1	ZINC000826379789	609188747	/nfs/dbraw/zinc/18/87/47/609188747.db2.gz	BOOASGKXIAGPNH-UHFFFAOYSA-N	-1	3	374.404	2.231	20	30		FEEDHM
N#C[C@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1cccc(Cl)c1Cl	ZINC000826380018	609459494	/nfs/dbraw/zinc/45/94/94/609459494.db2.gz	KHSLGDHXKONMBN-NSHDSACASA-N	-1	3	362.180	2.496	20	30		FEEDHM
N#C[C@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1cccc(Cl)c1Cl	ZINC000826380018	609459497	/nfs/dbraw/zinc/45/94/97/609459497.db2.gz	KHSLGDHXKONMBN-NSHDSACASA-N	-1	3	362.180	2.496	20	30		FEEDHM
Cc1cc(C(=O)Nc2ccc(C#N)cc2)nn1-c1cccc(-c2nnn[n-]2)c1	ZINC000826260488	609506868	/nfs/dbraw/zinc/50/68/68/609506868.db2.gz	QPYKIHPWDVWHJQ-UHFFFAOYSA-N	-1	3	370.376	2.485	20	30		FEEDHM
Cc1cc(C(=O)Nc2ccc(C#N)cc2)nn1-c1cccc(-c2nn[n-]n2)c1	ZINC000826260488	609506869	/nfs/dbraw/zinc/50/68/69/609506869.db2.gz	QPYKIHPWDVWHJQ-UHFFFAOYSA-N	-1	3	370.376	2.485	20	30		FEEDHM
O=C1CN(N=Cc2cc(C(F)(F)F)ccc2Br)C(=O)[N-]1	ZINC000811635582	674617765	/nfs/dbraw/zinc/61/77/65/674617765.db2.gz	CMYLKHQQHQAOQD-UHFFFAOYSA-N	-1	3	350.094	2.354	20	30		FEEDHM
CC(C)(CCC#N)CNC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1	ZINC000811918399	674639385	/nfs/dbraw/zinc/63/93/85/674639385.db2.gz	RFRARVFNAFIRCF-LBPRGKRZSA-N	-1	3	362.396	2.416	20	30		FEEDHM
Cc1nnsc1C=Nn1c(=S)[n-]nc1[C@H]1COc2ccccc2O1	ZINC000814214751	674826776	/nfs/dbraw/zinc/82/67/76/674826776.db2.gz	HWVDEHHYKMJQTB-LLVKDONJSA-N	-1	3	360.424	2.121	20	30		FEEDHM
O=C(CCSc1ccc(Br)cc1)N[C@@H]1CCCN([O-])C1=O	ZINC000816755652	675077626	/nfs/dbraw/zinc/07/76/26/675077626.db2.gz	GBKQYBSAALGRMX-GFCCVEGCSA-N	-1	3	373.272	2.428	20	30		FEEDHM
O=C(Nc1ccc(C(=O)N[C@@H]2CCCN([O-])C2=O)cc1)c1cccs1	ZINC000816756721	675078072	/nfs/dbraw/zinc/07/80/72/675078072.db2.gz	CXNPCPFSIQQWEL-CYBMUJFWSA-N	-1	3	359.407	2.110	20	30		FEEDHM
O=C(N[C@@H]1CCCN([O-])C1=O)c1cn(-c2ccc(Cl)c(Cl)c2)cn1	ZINC000816756527	675078135	/nfs/dbraw/zinc/07/81/35/675078135.db2.gz	ZESQKRNNASLLAP-GFCCVEGCSA-N	-1	3	369.208	2.289	20	30		FEEDHM
CCOc1ccc(-c2nc(C(=O)N[C@H]3CCCN([O-])C3=O)cs2)cc1	ZINC000816759654	675078345	/nfs/dbraw/zinc/07/83/45/675078345.db2.gz	RFPVMYGRZLDZDO-ZDUSSCGKSA-N	-1	3	361.423	2.319	20	30		FEEDHM
O=S(=O)(C[C@H](O)C/N=C/c1cc(Cl)ccc1[O-])c1cccs1	ZINC000129597686	672064736	/nfs/dbraw/zinc/06/47/36/672064736.db2.gz	ZIWMVMVXLQGKTK-DYPRAHPUSA-N	-1	3	359.856	2.361	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2O)ccc1F	ZINC000157874248	672263375	/nfs/dbraw/zinc/26/33/75/672263375.db2.gz	DFJLNMCODIOECO-UHFFFAOYSA-N	-1	3	350.371	2.248	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-][C@H]2COc3cc(F)cc(F)c32)c(F)c1	ZINC000612172592	676071892	/nfs/dbraw/zinc/07/18/92/676071892.db2.gz	AFWOUGIGNKHZPP-LBPRGKRZSA-N	-1	3	354.309	2.388	20	30		FEEDHM
CN(C)C(=O)C[C@@H]([N-]S(=O)(=O)c1ccsc1C#N)c1ccccc1	ZINC000593538958	672937612	/nfs/dbraw/zinc/93/76/12/672937612.db2.gz	WECIMZQNLSPXJC-CYBMUJFWSA-N	-1	3	363.464	2.118	20	30		FEEDHM
C[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)c2ncnn21	ZINC000594805923	673149249	/nfs/dbraw/zinc/14/92/49/673149249.db2.gz	DYHUWJLWKAMOSA-KWQFWETISA-N	-1	3	371.344	2.153	20	30		FEEDHM
CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(CC)[C@@H](C)C#N)cc1	ZINC000595358392	673232343	/nfs/dbraw/zinc/23/23/43/673232343.db2.gz	UFEPIQFSUZPMSH-ZDUSSCGKSA-N	-1	3	373.500	2.151	20	30		FEEDHM
C=CCN(Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1)[C@@H](C)COC	ZINC000595638101	673277475	/nfs/dbraw/zinc/27/74/75/673277475.db2.gz	CMZNXFKINUQNAJ-JTQLQIEISA-N	-1	3	365.455	2.103	20	30		FEEDHM
CC[C@H](OC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21)c1ccccc1	ZINC000733395131	673414573	/nfs/dbraw/zinc/41/45/73/673414573.db2.gz	VMJGYTHLELXOCK-HNNXBMFYSA-N	-1	3	358.419	2.420	20	30		FEEDHM
C[C@@H]1CCCC[C@H]1CCNC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000733944876	673445156	/nfs/dbraw/zinc/44/51/56/673445156.db2.gz	RNWKIXGRSNPZSN-KGLIPLIRSA-N	-1	3	363.483	2.058	20	30		FEEDHM
O=C(Cn1ccc(C=N[O-])nc1=O)Nc1ccc(SC(F)F)cc1	ZINC000736302153	673518884	/nfs/dbraw/zinc/51/88/84/673518884.db2.gz	HEZIUECTHVGECJ-UHFFFAOYSA-N	-1	3	354.338	2.005	20	30		FEEDHM
O=C(Cn1ccc(C=N[O-])nc1=O)Nc1ccc(Cl)c(C(F)(F)F)c1	ZINC000736303354	673519269	/nfs/dbraw/zinc/51/92/69/673519269.db2.gz	YZHNJOWWKHBKFL-UHFFFAOYSA-N	-1	3	374.706	2.362	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCC[C@@H]([S@](C)=O)C1	ZINC000598766878	673609681	/nfs/dbraw/zinc/60/96/81/673609681.db2.gz	SRUHXNLDKCNSLN-IEBYYPBYSA-N	-1	3	363.483	2.014	20	30		FEEDHM
Cc1cc(C2([N-]S(=O)(=O)c3cc(C#N)ccc3C)CCOCC2)on1	ZINC000599514314	673687094	/nfs/dbraw/zinc/68/70/94/673687094.db2.gz	GMQQGNRRVGBRTA-UHFFFAOYSA-N	-1	3	361.423	2.147	20	30		FEEDHM
CC#CCCNC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl	ZINC000544581026	673718962	/nfs/dbraw/zinc/71/89/62/673718962.db2.gz	IBJIJZBNNPKIQU-UHFFFAOYSA-N	-1	3	363.266	2.191	20	30		FEEDHM
CCC[C@H](CC)NC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000742592514	673731940	/nfs/dbraw/zinc/73/19/40/673731940.db2.gz	CZNRWAVKZWQIIR-STQMWFEESA-N	-1	3	351.472	2.199	20	30		FEEDHM
N#CC(=C([O-])c1ccc(Br)cc1-n1cncn1)c1ccncn1	ZINC000544814990	673734168	/nfs/dbraw/zinc/73/41/68/673734168.db2.gz	RDVRJMAVHPSZTF-LBPRGKRZSA-N	-1	3	369.182	2.310	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CC[C@@H](SC)C2)ccc1F	ZINC000742744037	673736624	/nfs/dbraw/zinc/73/66/24/673736624.db2.gz	IYIQIFOESRACET-QWHCGFSZSA-N	-1	3	372.487	2.304	20	30		FEEDHM
CCOc1cc(C=NN2C(=S)N=NC2CCOC)cc(Cl)c1[O-]	ZINC000743445713	673759890	/nfs/dbraw/zinc/75/98/90/673759890.db2.gz	DGZADKLYQFCMRZ-UHFFFAOYSA-N	-1	3	356.835	2.396	20	30		FEEDHM
Cc1c(C([O-])=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)nnn1C	ZINC000744032794	673779686	/nfs/dbraw/zinc/77/96/86/673779686.db2.gz	IMAQMPOGYHEWKG-LLVKDONJSA-N	-1	3	352.181	2.392	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)OCc2ncc(CC)o2)ccc1F	ZINC000744687749	673806814	/nfs/dbraw/zinc/80/68/14/673806814.db2.gz	HYJAUOPKUXYZTC-UHFFFAOYSA-N	-1	3	368.386	2.197	20	30		FEEDHM
Cc1ccsc1[C@H](CO)[N-]S(=O)(=O)c1c(C)cc(F)cc1C#N	ZINC000601364880	673848804	/nfs/dbraw/zinc/84/88/04/673848804.db2.gz	OICKVTKMNDSMRT-ZDUSSCGKSA-N	-1	3	354.428	2.388	20	30		FEEDHM
C=CCC1(C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)CCOCC1	ZINC000819522177	675296197	/nfs/dbraw/zinc/29/61/97/675296197.db2.gz	LYQNOVTUPCGESH-UHFFFAOYSA-N	-1	3	362.392	2.276	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H]2C(F)(F)F)ccc1F	ZINC000820024726	675331287	/nfs/dbraw/zinc/33/12/87/675331287.db2.gz	ZXBHPROWQHWHSK-LBPRGKRZSA-N	-1	3	366.336	2.067	20	30		FEEDHM
N#CCCN(CC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1)CC1CC1	ZINC000822806906	675508243	/nfs/dbraw/zinc/50/82/43/675508243.db2.gz	VLBRQZVODCPXTE-UHFFFAOYSA-N	-1	3	359.821	2.084	20	30		FEEDHM
N#CCCN(CC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1)CC1CC1	ZINC000822806906	675508244	/nfs/dbraw/zinc/50/82/44/675508244.db2.gz	VLBRQZVODCPXTE-UHFFFAOYSA-N	-1	3	359.821	2.084	20	30		FEEDHM
N#Cc1ccc(NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c(Cl)c1	ZINC000822832760	675509967	/nfs/dbraw/zinc/50/99/67/675509967.db2.gz	FVZSQDUDGUZTAG-UHFFFAOYSA-N	-1	3	360.786	2.193	20	30		FEEDHM
N#Cc1ccc(NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c(Cl)c1	ZINC000822832760	675509969	/nfs/dbraw/zinc/50/99/69/675509969.db2.gz	FVZSQDUDGUZTAG-UHFFFAOYSA-N	-1	3	360.786	2.193	20	30		FEEDHM
N#Cc1ncn(Cc2ncc(-c3ccc(Cl)cc3)o2)c1-c1nnn[n-]1	ZINC000826388129	675687752	/nfs/dbraw/zinc/68/77/52/675687752.db2.gz	JMEPHLIFYCTFBO-UHFFFAOYSA-N	-1	3	352.745	2.292	20	30		FEEDHM
CC(C)[C@@H](C#N)[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1	ZINC000829812023	677013852	/nfs/dbraw/zinc/01/38/52/677013852.db2.gz	NAVBIWRBUGWOQC-SECBINFHSA-N	-1	3	352.641	2.324	20	30		FEEDHM
C[C@@H](CC(=O)OCC1(C)CCC1)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000764127947	680800799	/nfs/dbraw/zinc/80/07/99/680800799.db2.gz	CMCBIIGYGMGHEO-LBPRGKRZSA-N	-1	3	350.440	2.237	20	30		FEEDHM
COc1ccc(C(C)=N[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c(O)c1	ZINC000748248123	679945278	/nfs/dbraw/zinc/94/52/78/679945278.db2.gz	HCKSPLBHWIQVEE-UHFFFAOYSA-N	-1	3	365.367	2.012	20	30		FEEDHM
C[C@@H](CC(=O)NCCCC(C)(F)F)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000833069667	680187875	/nfs/dbraw/zinc/18/78/75/680187875.db2.gz	BXUJEFFGOYNXTL-NSHDSACASA-N	-1	3	373.425	2.055	20	30		FEEDHM
C=C(C)CCNC(=O)[C@@H](CC(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000836827312	680519544	/nfs/dbraw/zinc/51/95/44/680519544.db2.gz	SCXFFYYALKMEDQ-OAHLLOKOSA-N	-1	3	363.483	2.222	20	30		FEEDHM
CC(CC1CCOCC1)=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1	ZINC000757574627	680526286	/nfs/dbraw/zinc/52/62/86/680526286.db2.gz	HAARWXZMIJNNOR-UHFFFAOYSA-N	-1	3	355.416	2.207	20	30		FEEDHM
CC1(C)CCC[C@@H](CNC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)C1	ZINC000837115510	680554014	/nfs/dbraw/zinc/55/40/14/680554014.db2.gz	BRPDNVXTKGEMIS-CYBMUJFWSA-N	-1	3	363.483	2.058	20	30		FEEDHM
O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)OCC1CCC(F)(F)CC1	ZINC000837344643	680590075	/nfs/dbraw/zinc/59/00/75/680590075.db2.gz	GXPCWCYSGMMFRK-UHFFFAOYSA-N	-1	3	372.393	2.094	20	30		FEEDHM
C[C@H](OC(=O)c1cc(Br)c(F)cc1[O-])C(=O)N(C)CCC#N	ZINC000837780640	680648342	/nfs/dbraw/zinc/64/83/42/680648342.db2.gz	PDPOEHCXADULKO-QMMMGPOBSA-N	-1	3	373.178	2.211	20	30		FEEDHM
CC1(C)CCC(COC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)CC1	ZINC000766533549	680880473	/nfs/dbraw/zinc/88/04/73/680880473.db2.gz	FQDUZEWQGVDMJV-UHFFFAOYSA-N	-1	3	364.467	2.485	20	30		FEEDHM
C[C@H](CC(=O)N1CC[C@H](C)[C@H](C)C1)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000767125097	680900143	/nfs/dbraw/zinc/90/01/43/680900143.db2.gz	BEQRUSJCAVYSET-BFHYXJOUSA-N	-1	3	363.483	2.008	20	30		FEEDHM
Cc1cc(C=Nn2c(=S)[n-]nc2[C@@H]2COc3ccccc3O2)n(C)n1	ZINC000841608281	680903382	/nfs/dbraw/zinc/90/33/82/680903382.db2.gz	ANTKHJPAFNHXSB-AWEZNQCLSA-N	-1	3	356.411	2.003	20	30		FEEDHM
C#C[C@H]([N-]S(=O)(=O)c1sc(Br)cc1C)[C@@H]1CCCO1	ZINC000845913263	681161914	/nfs/dbraw/zinc/16/19/14/681161914.db2.gz	YHUVPGAPXMLNFQ-UWVGGRQHSA-N	-1	3	364.286	2.278	20	30		FEEDHM
CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1ccc(N)c(Cl)c1[O-]	ZINC000845192932	681110090	/nfs/dbraw/zinc/11/00/90/681110090.db2.gz	IIDMDSAUPQJYEJ-XXFAHNHDSA-N	-1	3	353.806	2.228	20	30		FEEDHM
C#C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)[C@@H]1CCCO1	ZINC000773048949	681122620	/nfs/dbraw/zinc/12/26/20/681122620.db2.gz	IXLYYTOJFWDDFM-RYUDHWBXSA-N	-1	3	351.321	2.304	20	30		FEEDHM
O=C(CSCc1ccc(Br)cc1)N[C@H]1CCCN([O-])C1=O	ZINC000848138087	681478579	/nfs/dbraw/zinc/47/85/79/681478579.db2.gz	LPZSNDDMBCMXOX-LBPRGKRZSA-N	-1	3	373.272	2.179	20	30		FEEDHM
O=C(N[C@H]1CCCN([O-])C1=O)c1c[nH]c2cccc(Br)c12	ZINC000848136196	681478673	/nfs/dbraw/zinc/47/86/73/681478673.db2.gz	TZESYVZMVHPTBR-NSHDSACASA-N	-1	3	352.188	2.040	20	30		FEEDHM
C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cc(C(=O)OC)cc(C)c1F	ZINC000848453936	681547935	/nfs/dbraw/zinc/54/79/35/681547935.db2.gz	UQBNZSDTOUXMEL-MLGOLLRUSA-N	-1	3	371.430	2.180	20	30		FEEDHM
CC[C@H](C#N)OC(=O)c1c(Cl)ccc(S(=O)(=O)[N-]C)c1Cl	ZINC000781192439	681908642	/nfs/dbraw/zinc/90/86/42/681908642.db2.gz	MMCGIDLRCXFBFH-SSDOTTSWSA-N	-1	3	351.211	2.360	20	30		FEEDHM
CC(C)(C#N)CS(=O)(=O)[N-][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O	ZINC000914307407	685503416	/nfs/dbraw/zinc/50/34/16/685503416.db2.gz	MHUCSTZZAHNQGU-CYBMUJFWSA-N	-1	3	373.837	2.054	20	30		FEEDHM
CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NC[C@@H]1C[C@H]1C	ZINC000915289993	685514011	/nfs/dbraw/zinc/51/40/11/685514011.db2.gz	MDXZIMJRBPYSRI-IPYPFGDCSA-N	-1	3	363.483	2.056	20	30		FEEDHM
C[C@H](CC(=O)OCC[C@@H]1CC1(F)F)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000851382131	682060123	/nfs/dbraw/zinc/06/01/23/682060123.db2.gz	VOTHLYPIDQCPEL-GHMZBOCLSA-N	-1	3	372.393	2.092	20	30		FEEDHM
CC(=NNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1cc(F)ccc1[O-]	ZINC000916263679	685523012	/nfs/dbraw/zinc/52/30/12/685523012.db2.gz	QXEGBQMHXAWHIX-UHFFFAOYSA-N	-1	3	367.358	2.450	20	30		FEEDHM
[O-]c1ccc(Br)cc1C=NNC(=S)NC[C@H]1CCCO1	ZINC000916311460	685523563	/nfs/dbraw/zinc/52/35/63/685523563.db2.gz	KBSPLUOCJRMYLJ-LLVKDONJSA-N	-1	3	358.261	2.132	20	30		FEEDHM
Cc1cc(C#N)cc(C)c1CS(=O)(=O)[N-][C@@]1(C)CC(C)(C)OC1=O	ZINC000915921271	685519647	/nfs/dbraw/zinc/51/96/47/685519647.db2.gz	IEVSVRSXWBPQCW-KRWDZBQOSA-N	-1	3	350.440	2.079	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@](C)(C#N)C2)ccc1F	ZINC000784745203	682251592	/nfs/dbraw/zinc/25/15/92/682251592.db2.gz	JDSBUXANANMPDG-KRWDZBQOSA-N	-1	3	365.430	2.056	20	30		FEEDHM
C=C[C@@H]1CCCCN1C(=O)C[C@H](C)[N-]S(=O)(=O)c1cccnc1Cl	ZINC000787682748	682472678	/nfs/dbraw/zinc/47/26/78/682472678.db2.gz	ZDNVBGMDPIMCFJ-QWHCGFSZSA-N	-1	3	371.890	2.359	20	30		FEEDHM
Cc1c2cc(C(=O)N[C@@H]3CCCN([O-])C3=O)[nH]c2ccc1Br	ZINC000854649052	682575232	/nfs/dbraw/zinc/57/52/32/682575232.db2.gz	PBNXRLXPACZOMJ-GFCCVEGCSA-N	-1	3	366.215	2.349	20	30		FEEDHM
CC(C)[N-]S(=O)(=O)c1cc(C(=O)N([C@@H](C)C#N)C2CC2)ccc1F	ZINC000855583992	682690191	/nfs/dbraw/zinc/69/01/91/682690191.db2.gz	LXYVTIUKQJJXHH-NSHDSACASA-N	-1	3	353.419	2.029	20	30		FEEDHM
CC(=O)Nc1cc([N-]S(=O)(=O)c2cnc(C)c(C#N)c2)c(F)cc1F	ZINC000793381291	682885843	/nfs/dbraw/zinc/88/58/43/682885843.db2.gz	ODBWAUNWAHJBDV-UHFFFAOYSA-N	-1	3	366.349	2.299	20	30		FEEDHM
C#CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(C(=O)OC)cs1	ZINC000796095841	683126721	/nfs/dbraw/zinc/12/67/21/683126721.db2.gz	IQPGJYMUVXDZII-OAHLLOKOSA-N	-1	3	363.460	2.448	20	30		FEEDHM
C#CCC[C@@H](O)C[N-]S(=O)(=O)c1cccc(Cl)c1Br	ZINC000798485912	683357793	/nfs/dbraw/zinc/35/77/93/683357793.db2.gz	LWCLKTDKPIAWKP-SECBINFHSA-N	-1	3	366.664	2.155	20	30		FEEDHM
C=CC[C@H](CC)NC(=O)C[C@H](C)[N-]S(=O)(=O)c1cccnc1Cl	ZINC000799035158	683416169	/nfs/dbraw/zinc/41/61/69/683416169.db2.gz	UMKULXLJDQLSOV-RYUDHWBXSA-N	-1	3	359.879	2.263	20	30		FEEDHM
Cn1nc(C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)cc1C1CC1	ZINC000921919338	683614427	/nfs/dbraw/zinc/61/44/27/683614427.db2.gz	SOYFIJIXTVZIRK-UHFFFAOYSA-N	-1	3	350.831	2.301	20	30		FEEDHM
N#Cc1cccc(O[N-]C(=O)CCC(=O)N2CCc3sccc3C2)c1	ZINC000870692695	684745418	/nfs/dbraw/zinc/74/54/18/684745418.db2.gz	LAXYKIYGSXXOJK-UHFFFAOYSA-N	-1	3	355.419	2.395	20	30		FEEDHM
O=C(Nc1ccc(Cl)cc1OCC(F)F)N[C@@H]1CCCN([O-])C1=O	ZINC000879587520	686864011	/nfs/dbraw/zinc/86/40/11/686864011.db2.gz	XAMBHNCFWWWMMA-SNVBAGLBSA-N	-1	3	363.748	2.486	20	30		FEEDHM
C=C(C)C[C@@H](CO)[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1	ZINC000882846969	687511993	/nfs/dbraw/zinc/51/19/93/687511993.db2.gz	YWZNMDMQFDEQSR-QMMMGPOBSA-N	-1	3	369.668	2.103	20	30		FEEDHM
Cc1ccc(C(=O)NCCC(=O)N(C)Cc2cc(C#N)cs2)c([O-])c1	ZINC000887970300	688527728	/nfs/dbraw/zinc/52/77/28/688527728.db2.gz	XPESVHMBGBCTEG-UHFFFAOYSA-N	-1	3	357.435	2.412	20	30		FEEDHM
Cn1nnnc1SCCC(=O)N([O-])Cc1cc(Cl)cc(Cl)c1	ZINC000904182782	691010583	/nfs/dbraw/zinc/01/05/83/691010583.db2.gz	PHKNUSXAPHBCBQ-UHFFFAOYSA-N	-1	3	362.242	2.417	20	30		FEEDHM
C=C(Cl)C[C@@H](NC(=O)NC[C@H](Cc1ccccc1)N(C)C)C(=O)[O-]	ZINC000908748598	691722276	/nfs/dbraw/zinc/72/22/76/691722276.db2.gz	GCTJBPUCDFMMCI-LSDHHAIUSA-N	-1	3	353.850	2.054	20	30		FEEDHM
Cn1ccnc1[C@@H]([N-]S(=O)(=O)c1ccccc1C#N)c1ccc(F)cc1	ZINC000017521718	539642340	/nfs/dbraw/zinc/64/23/40/539642340.db2.gz	YBMXTVVPLNMCQX-KRWDZBQOSA-N	-1	3	370.409	2.499	20	30		FEEDHM
N#CCCN(CCN1CCOCC1)Cc1ccc(Br)cc1[O-]	ZINC000824473934	675604858	/nfs/dbraw/zinc/60/48/58/675604858.db2.gz	GOJSUOADRALUJO-UHFFFAOYSA-N	-1	3	368.275	2.203	20	30		FEEDHM
C=C(C)CNC(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1	ZINC000157447333	545742269	/nfs/dbraw/zinc/74/22/69/545742269.db2.gz	RBFLUNBDSLOTQK-UHFFFAOYSA-N	-1	3	351.350	2.225	20	30		FEEDHM
C[N-]S(=O)(=O)c1ccc(CNc2ccc([N+](=O)[O-])cc2C#N)s1	ZINC000058481385	540845312	/nfs/dbraw/zinc/84/53/12/540845312.db2.gz	YXUHWGXABXXHIK-UHFFFAOYSA-N	-1	3	352.397	2.048	20	30		FEEDHM
N#Cc1cccc(NC(=O)N2CCN(C(=O)c3cccc([O-])c3)CC2)c1	ZINC000060358398	541107212	/nfs/dbraw/zinc/10/72/12/541107212.db2.gz	LHJCUBFZPKMRAU-UHFFFAOYSA-N	-1	3	350.378	2.254	20	30		FEEDHM
N#Cc1ccc(Oc2ccc(NC(=O)CC[C@@H]3NC(=O)[N-]C3=O)cc2)cc1	ZINC000068916837	541640831	/nfs/dbraw/zinc/64/08/31/541640831.db2.gz	IKZYRACKLSAUPX-INIZCTEOSA-N	-1	3	364.361	2.277	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H](C)Oc1ccccc1	ZINC000070898130	541750382	/nfs/dbraw/zinc/75/03/82/541750382.db2.gz	FINZYAZHIQYEFX-ZDUSSCGKSA-N	-1	3	353.422	2.380	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(CCC#N)Cc1cccnc1	ZINC000070871372	541747934	/nfs/dbraw/zinc/74/79/34/541747934.db2.gz	LTZSLRDHDMDFLK-UHFFFAOYSA-N	-1	3	363.421	2.134	20	30		FEEDHM
CC(C)[C@@](C)(C#N)NC(=O)CN(Cc1ccccc1[O-])C[C@@H]1CCCO1	ZINC000070976304	541755727	/nfs/dbraw/zinc/75/57/27/541755727.db2.gz	KOACMPKWKZSGME-FXAWDEMLSA-N	-1	3	359.470	2.428	20	30		FEEDHM
N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)c2ccccc2[O-])CC1	ZINC000105810635	206010216	/nfs/dbraw/zinc/01/02/16/206010216.db2.gz	UZBAIKBCRNSRQE-UHFFFAOYSA-N	-1	3	364.361	2.474	20	30		FEEDHM
COc1ccc2c(c1)CN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)CC2	ZINC000108957676	206042259	/nfs/dbraw/zinc/04/22/59/206042259.db2.gz	STHLXQUUNWMJFL-UHFFFAOYSA-N	-1	3	365.433	2.390	20	30		FEEDHM
C=CCNC(=O)Nc1ccc(NC(=O)CCc2c(C)nc(C)[n-]c2=O)cc1	ZINC000078671649	542474933	/nfs/dbraw/zinc/47/49/33/542474933.db2.gz	OSTXPXOWLRFUIE-UHFFFAOYSA-N	-1	3	369.425	2.266	20	30		FEEDHM
C[C@H](C(=O)Nc1nnc(C(F)(F)F)[n-]1)n1nnc(-c2ccccc2)n1	ZINC000079700752	542537160	/nfs/dbraw/zinc/53/71/60/542537160.db2.gz	SAZFQKUVMXHDRU-SSDOTTSWSA-N	-1	3	352.280	2.326	20	30		FEEDHM
C[C@H](C(=O)Nc1nc(C(F)(F)F)n[n-]1)n1nnc(-c2ccccc2)n1	ZINC000079700752	542537163	/nfs/dbraw/zinc/53/71/63/542537163.db2.gz	SAZFQKUVMXHDRU-SSDOTTSWSA-N	-1	3	352.280	2.326	20	30		FEEDHM
CC(C)C[C@H]([N-]S(=O)(=O)Cc1cccc(C#N)c1)C(=O)OC(C)C	ZINC000114498328	543521636	/nfs/dbraw/zinc/52/16/36/543521636.db2.gz	XLZISTJTQPYWAK-INIZCTEOSA-N	-1	3	352.456	2.344	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cnn(CC(F)(F)F)c1	ZINC000118239318	543649382	/nfs/dbraw/zinc/64/93/82/543649382.db2.gz	KVYUQVUAGHPJON-UHFFFAOYSA-N	-1	3	367.331	2.194	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCS[C@H](C)[C@H]2C)ccc1F	ZINC000118294710	543649693	/nfs/dbraw/zinc/64/96/93/543649693.db2.gz	VWGWDGAAZPFVIV-VXGBXAGGSA-N	-1	3	372.487	2.256	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@@]1(C#N)CCC[C@@H](C)C1	ZINC000116811945	543617198	/nfs/dbraw/zinc/61/71/98/543617198.db2.gz	FOSFCQKEMGJEMH-JMSVASOKSA-N	-1	3	355.485	2.004	20	30		FEEDHM
CCS[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000123129272	543744283	/nfs/dbraw/zinc/74/42/83/543744283.db2.gz	BUFPYPSQZJUQLT-YPMHNXCESA-N	-1	3	355.441	2.419	20	30		FEEDHM
Cn1c2ccccc2nc1C(C#N)=C([O-])c1cccc(S(C)(=O)=O)c1	ZINC000122263657	543705174	/nfs/dbraw/zinc/70/51/74/543705174.db2.gz	LIELXHIUCZIDEF-AWEZNQCLSA-N	-1	3	353.403	2.467	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N(CC#N)C2CCCC2)ccc1F	ZINC000125350920	543876465	/nfs/dbraw/zinc/87/64/65/543876465.db2.gz	GZCLNAFPZIXXPW-UHFFFAOYSA-N	-1	3	365.430	2.198	20	30		FEEDHM
CC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C	ZINC000128024504	544028187	/nfs/dbraw/zinc/02/81/87/544028187.db2.gz	RYZYVPBEIOXBCC-IBGZPJMESA-N	-1	3	365.433	2.113	20	30		FEEDHM
COc1ccc(S(=O)(=O)[N-][C@@]2(C#N)CCC[C@H](C)C2)c([N+](=O)[O-])c1	ZINC000130479320	544152587	/nfs/dbraw/zinc/15/25/87/544152587.db2.gz	ATIUNVNRQWABBO-NHYWBVRUSA-N	-1	3	353.400	2.354	20	30		FEEDHM
C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(O)c2F)c1	ZINC000131517579	544193292	/nfs/dbraw/zinc/19/32/92/544193292.db2.gz	MHALZEWQCNQWEH-UHFFFAOYSA-N	-1	3	350.371	2.248	20	30		FEEDHM
N#CC1(C(=O)Nc2ccc(S(=O)(=O)[N-]CC(F)(F)F)cc2)CCC1	ZINC000134510012	544311148	/nfs/dbraw/zinc/31/11/48/544311148.db2.gz	KYSHHLRFPULSSN-UHFFFAOYSA-N	-1	3	361.345	2.160	20	30		FEEDHM
CCO[C@@H]1C[C@H](NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C12CCC2	ZINC000152369670	544644865	/nfs/dbraw/zinc/64/48/65/544644865.db2.gz	IVFKOSOBBMFCKD-DLBZAZTESA-N	-1	3	357.454	2.260	20	30		FEEDHM
C=C[C@@H](C)NC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl	ZINC000153929554	544842456	/nfs/dbraw/zinc/84/24/56/544842456.db2.gz	IASITQUVULELRY-SECBINFHSA-N	-1	3	351.255	2.353	20	30		FEEDHM
CN(C)C(=O)C1(C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)CCCC1	ZINC000183662660	327829180	/nfs/dbraw/zinc/82/91/80/327829180.db2.gz	QRTUSUACCDSDKN-UHFFFAOYSA-N	-1	3	369.874	2.139	20	30		FEEDHM
COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1)c1ccc(C)c(C)c1	ZINC000184259277	327858537	/nfs/dbraw/zinc/85/85/37/327858537.db2.gz	HNVNBECBIITDNT-QGZVFWFLSA-N	-1	3	358.419	2.368	20	30		FEEDHM
N#Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2cccnc2-n2cccn2)c1	ZINC000186273097	327955048	/nfs/dbraw/zinc/95/50/48/327955048.db2.gz	AYKDDYXWPFPAGM-UHFFFAOYSA-N	-1	3	373.825	2.271	20	30		FEEDHM
Cc1ccc(C[C@H](CO)[N-]S(=O)(=O)c2cccc(Cl)c2C#N)cc1	ZINC000188357969	328082606	/nfs/dbraw/zinc/08/26/06/328082606.db2.gz	HNRNSGWNJYURAJ-CQSZACIVSA-N	-1	3	364.854	2.402	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N(CC(C)(C)C)OC)ccc1F	ZINC000804579675	674292815	/nfs/dbraw/zinc/29/28/15/674292815.db2.gz	YTKBZLMIRLMSCV-UHFFFAOYSA-N	-1	3	358.435	2.340	20	30		FEEDHM
C[C@@H](CNC(=O)c1ccc(C#N)c([O-])c1)N1CCN(c2ccccc2)CC1	ZINC000190533110	328214536	/nfs/dbraw/zinc/21/45/36/328214536.db2.gz	DAXRMAAHZQLEJX-INIZCTEOSA-N	-1	3	364.449	2.204	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCc2c1cccc2[N+](=O)[O-]	ZINC000078149675	325033287	/nfs/dbraw/zinc/03/32/87/325033287.db2.gz	YLDGKTOTUQZKHS-UHFFFAOYSA-N	-1	3	366.377	2.294	20	30		FEEDHM
COCc1cc(CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)ccc1F	ZINC000107496375	325629066	/nfs/dbraw/zinc/62/90/66/325629066.db2.gz	YFVCRIQNLSURCV-UHFFFAOYSA-N	-1	3	371.412	2.398	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]CCc2nnc(-c3ccccc3)o2)c(F)c1	ZINC000122593813	326402630	/nfs/dbraw/zinc/40/26/30/326402630.db2.gz	UQPJONGAAZXRNF-UHFFFAOYSA-N	-1	3	372.381	2.268	20	30		FEEDHM
N#Cc1cc(F)ccc1S(=O)(=O)[N-]C[C@H]1CC(=O)Nc2ccccc21	ZINC000125166221	326466693	/nfs/dbraw/zinc/46/66/93/326466693.db2.gz	QQYLLDGOVKIGMP-GFCCVEGCSA-N	-1	3	359.382	2.102	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCOc1ncccc1Cl	ZINC000153505691	326734490	/nfs/dbraw/zinc/73/44/90/326734490.db2.gz	BGASGTZMSTWPKR-UHFFFAOYSA-N	-1	3	374.828	2.040	20	30		FEEDHM
N#Cc1cc(F)ccc1S(=O)(=O)[N-]Cc1ccc(OCC2CC2)nc1	ZINC000156974811	326850320	/nfs/dbraw/zinc/85/03/20/326850320.db2.gz	PCLFZUZXKYXXIG-UHFFFAOYSA-N	-1	3	361.398	2.360	20	30		FEEDHM
CC(C)NC(=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(F)cc2C#N)C1	ZINC000157642989	326870956	/nfs/dbraw/zinc/87/09/56/326870956.db2.gz	DPWKZAYDSMKJAH-DOMZBBRYSA-N	-1	3	367.446	2.059	20	30		FEEDHM
CC(C)Oc1ccc(NC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C)cc1C#N	ZINC000269398427	329515333	/nfs/dbraw/zinc/51/53/33/329515333.db2.gz	NEFNLILFWNBTCH-HNNXBMFYSA-N	-1	3	367.471	2.248	20	30		FEEDHM
COC(=O)N(Cc1noc(CCc2c(C)[n-]c(=O)c(C#N)c2C)n1)C1CC1	ZINC000273873155	329898852	/nfs/dbraw/zinc/89/88/52/329898852.db2.gz	NPXFEGFGDWUDMB-UHFFFAOYSA-N	-1	3	371.397	2.175	20	30		FEEDHM
C[C@H](COCC(F)(F)F)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl	ZINC000274617817	329965211	/nfs/dbraw/zinc/96/52/11/329965211.db2.gz	JUEXAKIPBHWZCX-MRVPVSSYSA-N	-1	3	356.753	2.457	20	30		FEEDHM
C#CCCCS(=O)(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1	ZINC000805011546	674312524	/nfs/dbraw/zinc/31/25/24/674312524.db2.gz	WYTNLPDYLLIKAG-MRXNPFEDSA-N	-1	3	370.902	2.343	20	30		FEEDHM
C#CCSCC[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F	ZINC000805014202	674312924	/nfs/dbraw/zinc/31/29/24/674312924.db2.gz	SRZFCOLABJNXJQ-UHFFFAOYSA-N	-1	3	357.350	2.369	20	30		FEEDHM
N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]Cc1ccc(NC(N)=O)cc1	ZINC000156318418	545617285	/nfs/dbraw/zinc/61/72/85/545617285.db2.gz	CLHHOHQRKHGWAH-UHFFFAOYSA-N	-1	3	364.814	2.181	20	30		FEEDHM
N#Cc1c(Cl)cccc1S(=O)(=O)[N-]Cc1cccnc1-n1ccnc1	ZINC000156389739	545623982	/nfs/dbraw/zinc/62/39/82/545623982.db2.gz	GXKGIGOHAWREPJ-UHFFFAOYSA-N	-1	3	373.825	2.271	20	30		FEEDHM
CCc1cc(=O)[n-]c(CN2CCCN(Cc3ccc(C#N)cc3)CC2)n1	ZINC000160627872	546057608	/nfs/dbraw/zinc/05/76/08/546057608.db2.gz	ZLBGBCFEXHRUTC-UHFFFAOYSA-N	-1	3	351.454	2.324	20	30		FEEDHM
C=CCCC[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O	ZINC000180854944	547194992	/nfs/dbraw/zinc/19/49/92/547194992.db2.gz	FJTMVMRQIOHTJH-NSHDSACASA-N	-1	3	360.863	2.227	20	30		FEEDHM
Cn1c(=O)[nH]c(=O)c2cc(C([O-])=C(C#N)c3nccc4ccccc43)cnc21	ZINC000483192388	561270023	/nfs/dbraw/zinc/27/00/23/561270023.db2.gz	DCFRNQTUSBZOKW-OAHLLOKOSA-N	-1	3	371.356	2.072	20	30		FEEDHM
Cc1cccc2c1[n-]cc(C(=O)N1CCN(c3cccc(C#N)n3)CC1)c2=O	ZINC000483397680	561275931	/nfs/dbraw/zinc/27/59/31/561275931.db2.gz	VXIXHXMSOCTUOZ-UHFFFAOYSA-N	-1	3	373.416	2.066	20	30		FEEDHM
[O-]c1ccc(Br)cc1/C=N/C[C@H]1COC2(CCOCC2)O1	ZINC000182236392	547457690	/nfs/dbraw/zinc/45/76/90/547457690.db2.gz	FEBCACCYGQBVPE-TVYFDWKESA-N	-1	3	356.216	2.496	20	30		FEEDHM
N#Cc1cccnc1-n1cc(NC(=O)c2cnc3ccccc3c2[O-])cn1	ZINC000184283071	547800859	/nfs/dbraw/zinc/80/08/59/547800859.db2.gz	XBLSCUKQPZSTMF-UHFFFAOYSA-N	-1	3	356.345	2.233	20	30		FEEDHM
CS(=O)(=O)c1nccc(C(=O)[N-]c2ccccc2SCCC#N)n1	ZINC000485737435	561326949	/nfs/dbraw/zinc/32/69/49/561326949.db2.gz	YPERHQDDVMEBPI-UHFFFAOYSA-N	-1	3	362.436	2.138	20	30		FEEDHM
N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CCC(=O)NC2CCCCC2)c1	ZINC000186375453	548125812	/nfs/dbraw/zinc/12/58/12/548125812.db2.gz	GDCPPDLJYKFYDY-UHFFFAOYSA-N	-1	3	369.874	2.329	20	30		FEEDHM
Cc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)cn(C)c1=O	ZINC000486495902	561348967	/nfs/dbraw/zinc/34/89/67/561348967.db2.gz	KTBWZRKMOQHRFV-UHFFFAOYSA-N	-1	3	371.340	2.385	20	30		FEEDHM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1(C#N)CCCCCC1	ZINC000194129528	548438655	/nfs/dbraw/zinc/43/86/55/548438655.db2.gz	GKNPEXRXWFQNNB-UHFFFAOYSA-N	-1	3	353.400	2.498	20	30		FEEDHM
C=CCCCS(=O)(=O)[N-][C@@H](C(=O)OC)c1ccc(OC(F)F)cc1	ZINC000489677181	561416765	/nfs/dbraw/zinc/41/67/65/561416765.db2.gz	HPQLEWYQYMJEFW-CYBMUJFWSA-N	-1	3	363.382	2.388	20	30		FEEDHM
COc1c2ccccc2oc1C[N-]S(=O)(=O)c1cnc(C)c(C#N)c1	ZINC000489822978	561419812	/nfs/dbraw/zinc/41/98/12/561419812.db2.gz	CSXVPUJIBBCLCB-UHFFFAOYSA-N	-1	3	357.391	2.495	20	30		FEEDHM
CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC(C)(C)CCC(=O)[O-])cc1	ZINC000262978780	549867665	/nfs/dbraw/zinc/86/76/65/549867665.db2.gz	BRQGLNZFJMFXCE-LLVKDONJSA-N	-1	3	367.427	2.137	20	30		FEEDHM
Cc1noc(CCC[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)n1	ZINC000263874218	549948770	/nfs/dbraw/zinc/94/87/70/549948770.db2.gz	HMMOYOVMPZLXMD-UHFFFAOYSA-N	-1	3	374.344	2.180	20	30		FEEDHM
C#CCCNC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl	ZINC000264995327	550004816	/nfs/dbraw/zinc/00/48/16/550004816.db2.gz	ULFPHAANJNGUJP-UHFFFAOYSA-N	-1	3	361.250	2.187	20	30		FEEDHM
Cn1cc(C(=O)C(C(=S)[N-]C(C2CC2)C2CC2)[n+]2cccc([O-])c2)cn1	ZINC000266057218	550016696	/nfs/dbraw/zinc/01/66/96/550016696.db2.gz	VWAIYSVRDABPIP-UHFFFAOYSA-O	-1	3	371.486	2.130	20	30		FEEDHM
COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@H](C#N)C2CCCCC2)s1	ZINC000270156366	550252849	/nfs/dbraw/zinc/25/28/49/550252849.db2.gz	XMFWEQHZBHQLHR-LLVKDONJSA-N	-1	3	372.468	2.294	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC1(C(N)=O)CCC(C)(C)CC1	ZINC000270432689	550271902	/nfs/dbraw/zinc/27/19/02/550271902.db2.gz	UDXUXCWWHNCUQN-UHFFFAOYSA-N	-1	3	372.469	2.149	20	30		FEEDHM
C=CCCN(C)S(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)c(F)c1	ZINC000276046283	550576112	/nfs/dbraw/zinc/57/61/12/550576112.db2.gz	GUNPNJHBBGYKSQ-UHFFFAOYSA-N	-1	3	364.464	2.174	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-]Cc1ccnc(OC2CCCC2)c1	ZINC000276973619	550617138	/nfs/dbraw/zinc/61/71/38/550617138.db2.gz	FZKAJTPJGCTGQD-UHFFFAOYSA-N	-1	3	358.423	2.148	20	30		FEEDHM
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CNC(=O)c1cccc([O-])c1	ZINC000494845811	561477580	/nfs/dbraw/zinc/47/75/80/561477580.db2.gz	OAKXRQNFVNXOPE-UHFFFAOYSA-N	-1	3	369.377	2.245	20	30		FEEDHM
CCCCCCCS(=O)(=O)[N-][C@H](c1nc(-c2nc[nH]n2)no1)C(C)C	ZINC000281682038	551130028	/nfs/dbraw/zinc/13/00/28/551130028.db2.gz	CQCIKNKJZTZEOU-LBPRGKRZSA-N	-1	3	370.479	2.442	20	30		FEEDHM
N#CC1CCC(CNC(=O)N2CCN(C(=O)c3cccc([O-])c3)CC2)CC1	ZINC000282350324	551215666	/nfs/dbraw/zinc/21/56/66/551215666.db2.gz	UPYYWDSQLIFCOI-UHFFFAOYSA-N	-1	3	370.453	2.190	20	30		FEEDHM
COC(=O)c1c(F)cccc1S(=O)(=O)[N-]CC1CCC(C#N)CC1	ZINC000282511045	551239867	/nfs/dbraw/zinc/23/98/67/551239867.db2.gz	LCIYXNVNEPEXDG-UHFFFAOYSA-N	-1	3	354.403	2.221	20	30		FEEDHM
Cc1nc([C@@H](C)[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)n[nH]1	ZINC000285479454	551762692	/nfs/dbraw/zinc/76/26/92/551762692.db2.gz	VSXJUROEIJUZSM-SSDOTTSWSA-N	-1	3	359.333	2.043	20	30		FEEDHM
N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@H]1CCC[C@H]1CCO	ZINC000287229713	551978831	/nfs/dbraw/zinc/97/88/31/551978831.db2.gz	GHWZYOBJQWPQIK-GWCFXTLKSA-N	-1	3	373.272	2.150	20	30		FEEDHM
C[C@H]1CN(Cc2ccccc2)CC[C@H]1[N-]S(=O)(=O)c1ccc(C#N)o1	ZINC000288191058	552107455	/nfs/dbraw/zinc/10/74/55/552107455.db2.gz	PRFFMWYTULJOCR-WMLDXEAASA-N	-1	3	359.451	2.340	20	30		FEEDHM
CC(C)(C)c1nnc(C[N-]S(=O)(=O)Cc2ccc(C#N)cc2)s1	ZINC000288487557	552161775	/nfs/dbraw/zinc/16/17/75/552161775.db2.gz	YEUVBBJQPQYJLS-UHFFFAOYSA-N	-1	3	350.469	2.327	20	30		FEEDHM
CCN1CCN(c2ccc([N-]S(=O)(=O)c3ccc(C#N)o3)c(C)c2)CC1	ZINC000288593739	552181638	/nfs/dbraw/zinc/18/16/38/552181638.db2.gz	NFTHRNFOEQZSRP-UHFFFAOYSA-N	-1	3	374.466	2.402	20	30		FEEDHM
C=CCn1c(CC2CC2)nnc1N1CCN(C(=O)c2ccc([O-])cc2)CC1	ZINC000289764486	552374844	/nfs/dbraw/zinc/37/48/44/552374844.db2.gz	RYGHIJPFUBIHQU-UHFFFAOYSA-N	-1	3	367.453	2.085	20	30		FEEDHM
N#Cc1ccc(CNC(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cc1	ZINC000290760696	552533443	/nfs/dbraw/zinc/53/34/43/552533443.db2.gz	UHOBXLWPPJHOOL-AWEZNQCLSA-N	-1	3	368.359	2.158	20	30		FEEDHM
COc1c(F)cc(S(=O)(=O)[N-][C@H]2CC[C@@H](CC#N)C2)cc1[N+](=O)[O-]	ZINC000295753853	553054895	/nfs/dbraw/zinc/05/48/95/553054895.db2.gz	OLXPNUWUNUUOJN-UWVGGRQHSA-N	-1	3	357.363	2.103	20	30		FEEDHM
COC(=O)C1([N-]S(=O)(=O)Cc2ccc(C#N)cc2)CCCCCC1	ZINC000298285466	553408196	/nfs/dbraw/zinc/40/81/96/553408196.db2.gz	FLAKDTBQLGASJI-UHFFFAOYSA-N	-1	3	350.440	2.244	20	30		FEEDHM
COC(=O)c1ccc(C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)o1	ZINC000503480390	561642415	/nfs/dbraw/zinc/64/24/15/561642415.db2.gz	XBHRMFLMPMDALM-UHFFFAOYSA-N	-1	3	354.771	2.070	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-][C@@H](CO)c2cccc(F)c2)c(Cl)c1	ZINC000503480912	561642509	/nfs/dbraw/zinc/64/25/09/561642509.db2.gz	ZEJYAYYEVNILSD-AWEZNQCLSA-N	-1	3	354.790	2.363	20	30		FEEDHM
COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C(C)C	ZINC000298849212	553480794	/nfs/dbraw/zinc/48/07/94/553480794.db2.gz	LEXDZIMTNORXBQ-LBPRGKRZSA-N	-1	3	364.345	2.053	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCn1cnc2ccccc21	ZINC000299027977	553505475	/nfs/dbraw/zinc/50/54/75/553505475.db2.gz	IIRRHETWJNJDOF-UHFFFAOYSA-N	-1	3	363.421	2.374	20	30		FEEDHM
N#Cc1cccc(NC(=O)C2CCN(C(=O)c3ccc4n[n-]nc4c3)CC2)c1	ZINC000299583699	553584341	/nfs/dbraw/zinc/58/43/41/553584341.db2.gz	CFJWKSCCPZHZRA-UHFFFAOYSA-N	-1	3	374.404	2.320	20	30		FEEDHM
CN1CC[C@H](C(=O)NCc2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)CC1=O	ZINC000328672984	553805381	/nfs/dbraw/zinc/80/53/81/553805381.db2.gz	IPWCFEUPMHXSMD-KPZWWZAWSA-N	-1	3	358.398	2.111	20	30		FEEDHM
COC1(C(=O)NCc2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)CCOCC1	ZINC000328795562	553823433	/nfs/dbraw/zinc/82/34/33/553823433.db2.gz	CJQNUTXEDJZZRE-QGZVFWFLSA-N	-1	3	361.398	2.438	20	30		FEEDHM
O=C(CCOCC(F)(F)C(F)(F)F)NCc1nnc(C(F)(F)F)[n-]1	ZINC000505969389	561686278	/nfs/dbraw/zinc/68/62/78/561686278.db2.gz	GEXLQQTWYLNROV-UHFFFAOYSA-N	-1	3	370.200	2.044	20	30		FEEDHM
O=C(CCOCC(F)(F)C(F)(F)F)NCc1n[n-]c(C(F)(F)F)n1	ZINC000505969389	561686280	/nfs/dbraw/zinc/68/62/80/561686280.db2.gz	GEXLQQTWYLNROV-UHFFFAOYSA-N	-1	3	370.200	2.044	20	30		FEEDHM
O=C(CCOCC(F)(F)C(F)(F)F)NCc1nc(C(F)(F)F)n[n-]1	ZINC000505969389	561686281	/nfs/dbraw/zinc/68/62/81/561686281.db2.gz	GEXLQQTWYLNROV-UHFFFAOYSA-N	-1	3	370.200	2.044	20	30		FEEDHM
Cc1cc(C)c(CCNC(=O)CN2CCN3C(=O)[N-]C(=O)[C@@H]3C2)c(C)c1	ZINC000329411442	553940957	/nfs/dbraw/zinc/94/09/57/553940957.db2.gz	DFWZOXGQECUYPG-INIZCTEOSA-N	-1	3	358.442	2.187	20	30		FEEDHM
CCN1CCC[C@H]([N-]S(=O)(=O)c2cccc(Br)c2C#N)C1	ZINC000330663396	554153225	/nfs/dbraw/zinc/15/32/25/554153225.db2.gz	DZMYLBAIBJMADZ-NSHDSACASA-N	-1	3	372.288	2.083	20	30		FEEDHM
N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2cccc([O-])c2)cc1	ZINC000509065919	561783490	/nfs/dbraw/zinc/78/34/90/561783490.db2.gz	HBQSRHISIYXDNS-MRXNPFEDSA-N	-1	3	353.403	2.418	20	30		FEEDHM
Cn1ccnc1[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)C1CC1	ZINC000510461049	561835196	/nfs/dbraw/zinc/83/51/96/561835196.db2.gz	OJXCIWSIEFAGTI-CQSZACIVSA-N	-1	3	350.831	2.375	20	30		FEEDHM
N#CC1(F)CCN(Cc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)CC1	ZINC000510934151	561851233	/nfs/dbraw/zinc/85/12/33/561851233.db2.gz	JVMCLCJGJXHDDP-UHFFFAOYSA-N	-1	3	352.373	2.349	20	30		FEEDHM
Cc1nc([C@@H]([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)c2ccccc2)n[nH]1	ZINC000362394447	554969271	/nfs/dbraw/zinc/96/92/71/554969271.db2.gz	CYUIALYVGAEGRS-INIZCTEOSA-N	-1	3	371.397	2.192	20	30		FEEDHM
Cc1nc([C@@](C)([N-]S(=O)(=O)Cc2ccc(F)cc2C#N)C2CC2)no1	ZINC000515038042	561992882	/nfs/dbraw/zinc/99/28/82/561992882.db2.gz	DRHPNTYRNSDXRK-INIZCTEOSA-N	-1	3	364.402	2.134	20	30		FEEDHM
N#Cc1ccc(N2CCN(C(=O)c3cc(=O)[n-]c(C4CC4)n3)CC2)c(F)c1	ZINC000515355599	562007048	/nfs/dbraw/zinc/00/70/48/562007048.db2.gz	YLOHWMUCASZLON-UHFFFAOYSA-N	-1	3	367.384	2.033	20	30		FEEDHM
C[C@]1(C[N-]S(=O)(=O)c2ccc(C#N)o2)CCCN1Cc1ccccc1	ZINC000515624367	562017392	/nfs/dbraw/zinc/01/73/92/562017392.db2.gz	DBSLWKMDBRLOTO-GOSISDBHSA-N	-1	3	359.451	2.484	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)c1ccc(C#N)o1)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000370668172	556935315	/nfs/dbraw/zinc/93/53/15/556935315.db2.gz	UAVYQKYSVKFQPV-GOEBONIOSA-N	-1	3	359.451	2.340	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@H]2C2CC2)c(C(F)(F)F)c1	ZINC000371217859	557109819	/nfs/dbraw/zinc/10/98/19/557109819.db2.gz	YRRONQDJSWFLOX-OCCSQVGLSA-N	-1	3	360.357	2.423	20	30		FEEDHM
N#CC1(CS(=O)(=O)[N-]CC(=O)Nc2cccc3ccccc32)CCC1	ZINC000517263803	562083321	/nfs/dbraw/zinc/08/33/21/562083321.db2.gz	ZAADJODELZDRIR-UHFFFAOYSA-N	-1	3	357.435	2.392	20	30		FEEDHM
N#Cc1c(Br)cccc1S(=O)(=O)[N-]CC[C@H]1CCOC1	ZINC000517981693	562101953	/nfs/dbraw/zinc/10/19/53/562101953.db2.gz	ITEKGCGKVHTISM-JTQLQIEISA-N	-1	3	359.245	2.026	20	30		FEEDHM
CC1(C)C[C@]1(C#N)[N-]S(=O)(=O)c1cc(Br)cc2c1OCC2	ZINC000519573058	562135375	/nfs/dbraw/zinc/13/53/75/562135375.db2.gz	SSZNHRRDCLZDCV-CQSZACIVSA-N	-1	3	371.256	2.355	20	30		FEEDHM
CC1CCC([NH+]2CCC([N-]S(=O)(=O)c3ccc(C#N)o3)CC2)CC1	ZINC000376276343	558151095	/nfs/dbraw/zinc/15/10/95/558151095.db2.gz	VFRSPGNPIXUIKB-UHFFFAOYSA-N	-1	3	351.472	2.473	20	30		FEEDHM
CC1CCC(N2CCC([N-]S(=O)(=O)c3ccc(C#N)o3)CC2)CC1	ZINC000376276343	558151097	/nfs/dbraw/zinc/15/10/97/558151097.db2.gz	VFRSPGNPIXUIKB-UHFFFAOYSA-N	-1	3	351.472	2.473	20	30		FEEDHM
N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@@H]1C[C@@H]2OCCC[C@@H]12	ZINC000376322060	558157849	/nfs/dbraw/zinc/15/78/49/558157849.db2.gz	LUMFXHXLULARQQ-BIMULSAOSA-N	-1	3	371.256	2.167	20	30		FEEDHM
COCCn1cc2c(n1)[C@H]([N-]S(=O)(=O)c1cccc(C)c1C#N)CCC2	ZINC000377410948	558335050	/nfs/dbraw/zinc/33/50/50/558335050.db2.gz	KRHUGVZTRPOXMY-MRXNPFEDSA-N	-1	3	374.466	2.066	20	30		FEEDHM
COc1ccc(OC)c(C[N-]S(=O)(=O)c2ccc(C#N)cc2F)c1	ZINC000523566151	562215381	/nfs/dbraw/zinc/21/53/81/562215381.db2.gz	NTLFTAVMCFNXSI-UHFFFAOYSA-N	-1	3	350.371	2.193	20	30		FEEDHM
N#Cc1cccc(CS(=O)(=O)[N-][C@@H]2COc3cc(F)cc(F)c32)c1	ZINC000378640492	558599165	/nfs/dbraw/zinc/59/91/65/558599165.db2.gz	AYIMYPBXKCXXLS-CQSZACIVSA-N	-1	3	350.346	2.390	20	30		FEEDHM
N#Cc1ccc(Br)cc1S(=O)(=O)[N-]C[C@H]1CCC[C@H](O)C1	ZINC000416407425	559310658	/nfs/dbraw/zinc/31/06/58/559310658.db2.gz	KEVXGORXGNRWED-GWCFXTLKSA-N	-1	3	373.272	2.150	20	30		FEEDHM
N#Cc1ccc(Br)cc1S(=O)(=O)[N-][C@H]1CCCOCC1	ZINC000416450647	559313797	/nfs/dbraw/zinc/31/37/97/559313797.db2.gz	AHBQIKRFQQOLAO-LBPRGKRZSA-N	-1	3	359.245	2.168	20	30		FEEDHM
C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2cccc(Br)c2C#N)[C@@H](C)O1	ZINC000416603736	559324553	/nfs/dbraw/zinc/32/45/53/559324553.db2.gz	KYEZNXGPYIOXHA-MXWKQRLJSA-N	-1	3	373.272	2.413	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCCC(F)(F)[C@@H]2O)cc1Cl	ZINC000416624609	559325877	/nfs/dbraw/zinc/32/58/77/559325877.db2.gz	OQCRUWHUFNEWLQ-NWDGAFQWSA-N	-1	3	350.774	2.039	20	30		FEEDHM
N#Cc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CCC[C@H](CO)C1	ZINC000416639799	559326902	/nfs/dbraw/zinc/32/69/02/559326902.db2.gz	ASGKMSMDYVITSB-GXFFZTMASA-N	-1	3	373.272	2.150	20	30		FEEDHM
CC(C)(C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N)C1(O)CCOCC1	ZINC000416658979	559328191	/nfs/dbraw/zinc/32/81/91/559328191.db2.gz	KYFIHPSXBXKLTE-UHFFFAOYSA-N	-1	3	372.874	2.058	20	30		FEEDHM
N#CCCC[C@H](N)C(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1	ZINC000424183256	559656976	/nfs/dbraw/zinc/65/69/76/559656976.db2.gz	BCYXIKVGICYIHG-INIZCTEOSA-N	-1	3	358.442	2.414	20	30		FEEDHM
CC1(C)CCC[C@@](O)(C[N-]S(=O)(=O)Cc2cc(C#N)ccc2F)C1	ZINC000527327253	562285492	/nfs/dbraw/zinc/28/54/92/562285492.db2.gz	UBPMUFVGEKEIOB-KRWDZBQOSA-N	-1	3	354.447	2.448	20	30		FEEDHM
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CNC(=O)c1cccc([O-])c1	ZINC000427241879	559751288	/nfs/dbraw/zinc/75/12/88/559751288.db2.gz	FYTDCSRGISWIOG-OALUTQOASA-N	-1	3	363.417	2.420	20	30		FEEDHM
C=C[C@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1	ZINC000428036848	559767993	/nfs/dbraw/zinc/76/79/93/559767993.db2.gz	IKFVMOAQAKHWRK-KRWDZBQOSA-N	-1	3	371.462	2.485	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-]CC(=O)Nc1cccc2ccccc21	ZINC000428245274	559772300	/nfs/dbraw/zinc/77/23/00/559772300.db2.gz	WGTKRVHIROCFHI-UHFFFAOYSA-N	-1	3	366.402	2.023	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)c1ccc(C#N)s1)c1ncc(Br)cn1	ZINC000431625630	559842824	/nfs/dbraw/zinc/84/28/24/559842824.db2.gz	ZGQUTDWZYMHCDP-ZETCQYMHSA-N	-1	3	373.257	2.212	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]Cc2cc(Br)ccn2)s1	ZINC000432274750	559855416	/nfs/dbraw/zinc/85/54/16/559855416.db2.gz	NEYIOLYTUQKNFO-UHFFFAOYSA-N	-1	3	358.242	2.256	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]CCOCC(F)(F)C(F)F)c(Cl)c1	ZINC000434788985	559909475	/nfs/dbraw/zinc/90/94/75/559909475.db2.gz	ZUNMIBUDQFNMSG-UHFFFAOYSA-N	-1	3	374.743	2.407	20	30		FEEDHM
CC(C)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)s1)c1nnc2ccccn21	ZINC000435428389	559922742	/nfs/dbraw/zinc/92/27/42/559922742.db2.gz	QMSYBJJWAFRJRC-CQSZACIVSA-N	-1	3	361.452	2.338	20	30		FEEDHM
C=C(C)[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-]	ZINC000435580051	559925424	/nfs/dbraw/zinc/92/54/24/559925424.db2.gz	OMWGYZJVSNDKTD-BBRMVZONSA-N	-1	3	354.428	2.471	20	30		FEEDHM
Cc1ccc(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c([O-])c1C	ZINC000436731229	559950207	/nfs/dbraw/zinc/95/02/07/559950207.db2.gz	BLBXJHONSUACJA-GOSISDBHSA-N	-1	3	363.417	2.412	20	30		FEEDHM
C=CCn1c(CCCC)nnc1N1CCN(C(=O)c2ccc([O-])cc2)CC1	ZINC000437007387	559959424	/nfs/dbraw/zinc/95/94/24/559959424.db2.gz	XQMDBYMZBNJWGO-UHFFFAOYSA-N	-1	3	369.469	2.475	20	30		FEEDHM
C=CC[C@H](C)NC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F	ZINC000441175851	560025765	/nfs/dbraw/zinc/02/57/65/560025765.db2.gz	QYQCZQYRMXASKD-JTQLQIEISA-N	-1	3	363.842	2.021	20	30		FEEDHM
C=CCC[C@H](NC(=O)CN1CC(=O)[N-]C1=O)c1ccc(C(F)(F)F)cc1	ZINC000441550505	560035494	/nfs/dbraw/zinc/03/54/94/560035494.db2.gz	LQQAONJIEJJTMA-ZDUSSCGKSA-N	-1	3	369.343	2.381	20	30		FEEDHM
COc1cc(C(=O)N[C@H](C#N)c2cc(OC)c(OC)c(OC)c2)ccc1[O-]	ZINC000442953290	560063639	/nfs/dbraw/zinc/06/36/39/560063639.db2.gz	XGIVWQHAYLNHDQ-CYBMUJFWSA-N	-1	3	372.377	2.421	20	30		FEEDHM
N#Cc1ccccc1S(=O)(=O)[N-][C@@H](Cc1ccccc1)[C@@H](O)C(F)F	ZINC000443218886	560074948	/nfs/dbraw/zinc/07/49/48/560074948.db2.gz	UPVKBGVMKSHYLG-GOEBONIOSA-N	-1	3	366.389	2.074	20	30		FEEDHM
Cc1nccn1CCCC[N-]S(=O)(=O)c1ccc(Cl)cc1C#N	ZINC000443254611	560076353	/nfs/dbraw/zinc/07/63/53/560076353.db2.gz	VAOOPQAWIFDJQZ-UHFFFAOYSA-N	-1	3	352.847	2.475	20	30		FEEDHM
COC(=O)[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N)CC(C)C	ZINC000443253435	560076469	/nfs/dbraw/zinc/07/64/69/560076469.db2.gz	GIEMSNCOWGETFA-LBPRGKRZSA-N	-1	3	358.847	2.325	20	30		FEEDHM
CCOC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)[C@@H](C)CC	ZINC000443304082	560078644	/nfs/dbraw/zinc/07/86/44/560078644.db2.gz	ADNGXMWZWLCXIA-HZMBPMFUSA-N	-1	3	358.847	2.468	20	30		FEEDHM
CN(C(=O)C[N-]S(=O)(=O)c1cccc(Cl)c1C#N)C1CCCCC1	ZINC000443374924	560082289	/nfs/dbraw/zinc/08/22/89/560082289.db2.gz	RSCUDVSQLOXZKC-UHFFFAOYSA-N	-1	3	369.874	2.281	20	30		FEEDHM
C[C@@H](Cc1cccc(O)c1)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000443384928	560082703	/nfs/dbraw/zinc/08/27/03/560082703.db2.gz	LHTGDQSMIZCRIS-NSHDSACASA-N	-1	3	361.379	2.082	20	30		FEEDHM
CC[C@@H]([N-]S(=O)(=O)c1ccc(CC#N)cc1Cl)[C@@H](O)C(F)(F)F	ZINC000451356599	560302403	/nfs/dbraw/zinc/30/24/03/560302403.db2.gz	FIJCQILXLNBAPG-ZYHUDNBSSA-N	-1	3	370.780	2.386	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]C2(CF)CCOCC2)c(C(F)(F)F)c1	ZINC000451732521	560325502	/nfs/dbraw/zinc/32/55/02/560325502.db2.gz	FBSFFVLNEXQQBQ-UHFFFAOYSA-N	-1	3	366.336	2.374	20	30		FEEDHM
C=CCC[C@H](CO)[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)OC	ZINC000452022211	560345982	/nfs/dbraw/zinc/34/59/82/560345982.db2.gz	KHVSMQMYQVVABF-LLVKDONJSA-N	-1	3	369.464	2.293	20	30		FEEDHM
C=CCC[C@@H](CO)[N-]S(=O)(=O)c1cc(F)ccc1Br	ZINC000452023197	560346197	/nfs/dbraw/zinc/34/61/97/560346197.db2.gz	MXFUBEAEILVIMX-JTQLQIEISA-N	-1	3	352.225	2.194	20	30		FEEDHM
CC(C)O[C@@H]1C[C@H]([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1(C)C	ZINC000463846755	560826441	/nfs/dbraw/zinc/82/64/41/560826441.db2.gz	LYZHCKSHYLJGML-LSDHHAIUSA-N	-1	3	367.427	2.337	20	30		FEEDHM
N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H](CO)Cc2ccccc2)c1	ZINC000475810795	561105878	/nfs/dbraw/zinc/10/58/78/561105878.db2.gz	WUINNNYVECLRBX-HNNXBMFYSA-N	-1	3	364.854	2.341	20	30		FEEDHM
CN(C(=O)C[N-]S(=O)(=O)CC1(C#N)CCCCC1)C1CCCCC1	ZINC000476350259	561117393	/nfs/dbraw/zinc/11/73/93/561117393.db2.gz	ZCHVQKZAEHNKDL-UHFFFAOYSA-N	-1	3	355.504	2.171	20	30		FEEDHM
CC1(C)OC[C@H]2C[C@]21[N-]S(=O)(=O)c1cc(Br)ccc1C#N	ZINC000528484341	562331739	/nfs/dbraw/zinc/33/17/39/562331739.db2.gz	AMYOVCZQTASSRZ-YGRLFVJLSA-N	-1	3	371.256	2.167	20	30		FEEDHM
C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1[N-]S(=O)(=O)c1cccnc1C#N	ZINC000528529177	562334126	/nfs/dbraw/zinc/33/41/26/562334126.db2.gz	GWVXGMOPCWXANE-QAPCUYQASA-N	-1	3	370.478	2.142	20	30		FEEDHM
CC(C)n1cnc(S(=O)(=O)[N-]C2(c3ccc(C#N)cc3)CCOCC2)c1	ZINC000528553671	562335930	/nfs/dbraw/zinc/33/59/30/562335930.db2.gz	OPPCNMLLLIFUEJ-UHFFFAOYSA-N	-1	3	374.466	2.320	20	30		FEEDHM
N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H]([C@@H](CO)C1CC1)C1CC1	ZINC000569796904	568425667	/nfs/dbraw/zinc/42/56/67/568425667.db2.gz	VJRXEPWRMDIOFA-XJKSGUPXSA-N	-1	3	354.859	2.287	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2cccnc2N2CCCCC2)cc1-c1nnn[n-]1	ZINC000737717962	598914593	/nfs/dbraw/zinc/91/45/93/598914593.db2.gz	CONHHTKCHFDTRS-UHFFFAOYSA-N	-1	3	374.408	2.376	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2cccnc2N2CCCCC2)cc1-c1nn[n-]n1	ZINC000737717962	598914594	/nfs/dbraw/zinc/91/45/94/598914594.db2.gz	CONHHTKCHFDTRS-UHFFFAOYSA-N	-1	3	374.408	2.376	20	30		FEEDHM
CC(C)n1ncc2cc(C(=O)Nc3ccc(-c4nnn[n-]4)c(C#N)c3)cnc21	ZINC000735966891	598916157	/nfs/dbraw/zinc/91/61/57/598916157.db2.gz	ZMHZODJIAFLUHP-UHFFFAOYSA-N	-1	3	373.380	2.316	20	30		FEEDHM
CC(C)n1ncc2cc(C(=O)Nc3ccc(-c4nn[n-]n4)c(C#N)c3)cnc21	ZINC000735966891	598916159	/nfs/dbraw/zinc/91/61/59/598916159.db2.gz	ZMHZODJIAFLUHP-UHFFFAOYSA-N	-1	3	373.380	2.316	20	30		FEEDHM
Cc1nn(C)c2sc(C(=O)Nc3ccc(C#N)c(-c4nn[n-]n4)c3)cc12	ZINC000737510768	598923018	/nfs/dbraw/zinc/92/30/18/598923018.db2.gz	JQXFTHXKNRJIBP-UHFFFAOYSA-N	-1	3	364.394	2.247	20	30		FEEDHM
N#Cc1cc(NC(=O)C=Cc2cnc3ccccc3n2)ccc1-c1nnn[n-]1	ZINC000737705927	598925493	/nfs/dbraw/zinc/92/54/93/598925493.db2.gz	RSUBTJSYFKNVLV-SOFGYWHQSA-N	-1	3	368.360	2.333	20	30		FEEDHM
N#Cc1cc(NC(=O)C=Cc2cnc3ccccc3n2)ccc1-c1nn[n-]n1	ZINC000737705927	598925494	/nfs/dbraw/zinc/92/54/94/598925494.db2.gz	RSUBTJSYFKNVLV-SOFGYWHQSA-N	-1	3	368.360	2.333	20	30		FEEDHM
COc1cccc2c1OCC(C(=O)Nc1ccc(-c3nnn[n-]3)c(C#N)c1)=C2	ZINC000737143970	598927102	/nfs/dbraw/zinc/92/71/02/598927102.db2.gz	XMCOOINHHVRSBZ-UHFFFAOYSA-N	-1	3	374.360	2.161	20	30		FEEDHM
COc1cccc2c1OCC(C(=O)Nc1ccc(-c3nn[n-]n3)c(C#N)c1)=C2	ZINC000737143970	598927104	/nfs/dbraw/zinc/92/71/04/598927104.db2.gz	XMCOOINHHVRSBZ-UHFFFAOYSA-N	-1	3	374.360	2.161	20	30		FEEDHM
Cc1cc(C)c(C#N)c(S[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)n1	ZINC000737239752	599011558	/nfs/dbraw/zinc/01/15/58/599011558.db2.gz	GGPUFEVMFCXYOJ-AWEZNQCLSA-N	-1	3	365.422	2.069	20	30		FEEDHM
Cc1cc(C)c(C#N)c(S[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)n1	ZINC000737239752	599011559	/nfs/dbraw/zinc/01/15/59/599011559.db2.gz	GGPUFEVMFCXYOJ-AWEZNQCLSA-N	-1	3	365.422	2.069	20	30		FEEDHM
C[C@@H](CC#N)NC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1	ZINC000735963110	599026462	/nfs/dbraw/zinc/02/64/62/599026462.db2.gz	AJGYBKNQPSGQIN-ZDUSSCGKSA-N	-1	3	362.393	2.478	20	30		FEEDHM
COC(=O)[C@@H](Sc1cc(C#N)ccn1)c1ccc(-c2nnn[n-]2)cc1	ZINC000736899456	599112947	/nfs/dbraw/zinc/11/29/47/599112947.db2.gz	AIMAMMPUXVATIP-AWEZNQCLSA-N	-1	3	352.379	2.140	20	30		FEEDHM
COC(=O)[C@@H](Sc1cc(C#N)ccn1)c1ccc(-c2nn[n-]n2)cc1	ZINC000736899456	599112949	/nfs/dbraw/zinc/11/29/49/599112949.db2.gz	AIMAMMPUXVATIP-AWEZNQCLSA-N	-1	3	352.379	2.140	20	30		FEEDHM
COc1ccc(C=NNC(=S)Nc2ccccc2)cc1-c1nnn[n-]1	ZINC000737080679	599125751	/nfs/dbraw/zinc/12/57/51/599125751.db2.gz	FYUDFNRZOOAPAZ-UHFFFAOYSA-N	-1	3	353.411	2.196	20	30		FEEDHM
COc1ccc(C=NNC(=S)Nc2ccccc2)cc1-c1nn[n-]n1	ZINC000737080679	599125755	/nfs/dbraw/zinc/12/57/55/599125755.db2.gz	FYUDFNRZOOAPAZ-UHFFFAOYSA-N	-1	3	353.411	2.196	20	30		FEEDHM
N#Cc1ccc([C@H](Sc2ccc(-c3nnn[n-]3)cc2F)C(N)=O)cc1	ZINC000737712102	599167808	/nfs/dbraw/zinc/16/78/08/599167808.db2.gz	NWXRCPUNPGCGGN-AWEZNQCLSA-N	-1	3	354.370	2.196	20	30		FEEDHM
N#Cc1ccc([C@H](Sc2ccc(-c3nn[n-]n3)cc2F)C(N)=O)cc1	ZINC000737712102	599167809	/nfs/dbraw/zinc/16/78/09/599167809.db2.gz	NWXRCPUNPGCGGN-AWEZNQCLSA-N	-1	3	354.370	2.196	20	30		FEEDHM
COc1ccc(C=C2N=C(c3ccc(C#N)cc3)OC2=O)cc1-c1nnn[n-]1	ZINC000737084759	599175595	/nfs/dbraw/zinc/17/55/95/599175595.db2.gz	VJIOCTWTOFLBRL-OQLLNIDSSA-N	-1	3	372.344	2.091	20	30		FEEDHM
COc1ccc(C=C2N=C(c3ccc(C#N)cc3)OC2=O)cc1-c1nn[n-]n1	ZINC000737084759	599175596	/nfs/dbraw/zinc/17/55/96/599175596.db2.gz	VJIOCTWTOFLBRL-OQLLNIDSSA-N	-1	3	372.344	2.091	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2cc(F)cc3nccnc32)cc1-c1nnn[n-]1	ZINC000737719370	599192627	/nfs/dbraw/zinc/19/26/27/599192627.db2.gz	PMLHNKGYFMMBKN-UHFFFAOYSA-N	-1	3	360.312	2.073	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2cc(F)cc3nccnc32)cc1-c1nn[n-]n1	ZINC000737719370	599192629	/nfs/dbraw/zinc/19/26/29/599192629.db2.gz	PMLHNKGYFMMBKN-UHFFFAOYSA-N	-1	3	360.312	2.073	20	30		FEEDHM
Cn1cc(-c2cccc(C(=O)Nc3ccc(-c4nnn[n-]4)c(C#N)c3)c2)cn1	ZINC000737594144	599194422	/nfs/dbraw/zinc/19/44/22/599194422.db2.gz	WRLUJYTVXQZGOJ-UHFFFAOYSA-N	-1	3	370.376	2.391	20	30		FEEDHM
Cn1cc(-c2cccc(C(=O)Nc3ccc(-c4nn[n-]n4)c(C#N)c3)c2)cn1	ZINC000737594144	599194426	/nfs/dbraw/zinc/19/44/26/599194426.db2.gz	WRLUJYTVXQZGOJ-UHFFFAOYSA-N	-1	3	370.376	2.391	20	30		FEEDHM
Cc1cc(C)c(C#N)c(N2CCN(c3ccccc3-c3nnn[n-]3)CC2)n1	ZINC000737241024	598245251	/nfs/dbraw/zinc/24/52/51/598245251.db2.gz	OJKICWXYNYZXCO-UHFFFAOYSA-N	-1	3	360.425	2.077	20	30		FEEDHM
Cc1cc(C)c(C#N)c(N2CCN(c3ccccc3-c3nn[n-]n3)CC2)n1	ZINC000737241024	598245253	/nfs/dbraw/zinc/24/52/53/598245253.db2.gz	OJKICWXYNYZXCO-UHFFFAOYSA-N	-1	3	360.425	2.077	20	30		FEEDHM
N#Cc1ccc(CN2CCN(c3ccccc3-c3nnn[n-]3)CC2)c(F)c1	ZINC000737711331	598253933	/nfs/dbraw/zinc/25/39/33/598253933.db2.gz	IQZUGBVDBDNWQH-UHFFFAOYSA-N	-1	3	363.400	2.200	20	30		FEEDHM
N#Cc1ccc(CN2CCN(c3ccccc3-c3nn[n-]n3)CC2)c(F)c1	ZINC000737711331	598253935	/nfs/dbraw/zinc/25/39/35/598253935.db2.gz	IQZUGBVDBDNWQH-UHFFFAOYSA-N	-1	3	363.400	2.200	20	30		FEEDHM
C#CC[C@@H](OC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1)c1ccccn1	ZINC000735375040	598291344	/nfs/dbraw/zinc/29/13/44/598291344.db2.gz	IMBXRULABCEERC-CXAGYDPISA-N	-1	3	363.377	2.337	20	30		FEEDHM
C#CC[C@@H](OC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1)c1ccccn1	ZINC000735375040	598291346	/nfs/dbraw/zinc/29/13/46/598291346.db2.gz	IMBXRULABCEERC-CXAGYDPISA-N	-1	3	363.377	2.337	20	30		FEEDHM
CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCc1ccc(C#N)cc1F	ZINC000736819655	598328029	/nfs/dbraw/zinc/32/80/29/598328029.db2.gz	GWIQREVNGXCEGR-UHFFFAOYSA-N	-1	3	365.372	2.219	20	30		FEEDHM
CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCc1ccc(C#N)cc1F	ZINC000736819655	598328030	/nfs/dbraw/zinc/32/80/30/598328030.db2.gz	GWIQREVNGXCEGR-UHFFFAOYSA-N	-1	3	365.372	2.219	20	30		FEEDHM
N#CCCCOc1cccnc1NC(=O)c1sccc1-c1nnn[n-]1	ZINC000737685833	598385951	/nfs/dbraw/zinc/38/59/51/598385951.db2.gz	FGXQPXZVLYMAAK-UHFFFAOYSA-N	-1	3	355.383	2.258	20	30		FEEDHM
N#CCCCOc1cccnc1NC(=O)c1sccc1-c1nn[n-]n1	ZINC000737685833	598385952	/nfs/dbraw/zinc/38/59/52/598385952.db2.gz	FGXQPXZVLYMAAK-UHFFFAOYSA-N	-1	3	355.383	2.258	20	30		FEEDHM
N#Cc1ccc(CCC(=O)OCC(=O)c2cccc(-c3nnn[n-]3)c2)cc1	ZINC000826384791	607362126	/nfs/dbraw/zinc/36/21/26/607362126.db2.gz	JZUDAGDCQGHFPJ-UHFFFAOYSA-N	-1	3	361.361	2.097	20	30		FEEDHM
N#Cc1ccc(CCC(=O)OCC(=O)c2cccc(-c3nn[n-]n3)c2)cc1	ZINC000826384791	607362127	/nfs/dbraw/zinc/36/21/27/607362127.db2.gz	JZUDAGDCQGHFPJ-UHFFFAOYSA-N	-1	3	361.361	2.097	20	30		FEEDHM
CCCN(Cc1ccc(-c2nnn[n-]2)cc1)S(=O)(=O)CCCCC#N	ZINC000736478803	598594838	/nfs/dbraw/zinc/59/48/38/598594838.db2.gz	DDBDCXDMAHDOQL-UHFFFAOYSA-N	-1	3	362.459	2.102	20	30		FEEDHM
CCCN(Cc1ccc(-c2nn[n-]n2)cc1)S(=O)(=O)CCCCC#N	ZINC000736478803	598594840	/nfs/dbraw/zinc/59/48/40/598594840.db2.gz	DDBDCXDMAHDOQL-UHFFFAOYSA-N	-1	3	362.459	2.102	20	30		FEEDHM
N#Cc1ccc(N2CCC[C@@H]2C(=O)OCc2ccc(-c3nnn[n-]3)cc2)cc1	ZINC000737719016	598620756	/nfs/dbraw/zinc/62/07/56/598620756.db2.gz	REGMZZNONWTMDX-GOSISDBHSA-N	-1	3	374.404	2.451	20	30		FEEDHM
N#Cc1ccc(N2CCC[C@@H]2C(=O)OCc2ccc(-c3nn[n-]n3)cc2)cc1	ZINC000737719016	598620757	/nfs/dbraw/zinc/62/07/57/598620757.db2.gz	REGMZZNONWTMDX-GOSISDBHSA-N	-1	3	374.404	2.451	20	30		FEEDHM
CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CSc1ccc(C#N)cc1	ZINC000736815171	598652672	/nfs/dbraw/zinc/65/26/72/598652672.db2.gz	WKPJEDBNGLHISC-UHFFFAOYSA-N	-1	3	364.434	2.489	20	30		FEEDHM
CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CSc1ccc(C#N)cc1	ZINC000736815171	598652674	/nfs/dbraw/zinc/65/26/74/598652674.db2.gz	WKPJEDBNGLHISC-UHFFFAOYSA-N	-1	3	364.434	2.489	20	30		FEEDHM
C=CCOc1ccc(OCC(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1	ZINC000819759312	599388276	/nfs/dbraw/zinc/38/82/76/599388276.db2.gz	TYCGJLKBOQGFJK-UHFFFAOYSA-N	-1	3	365.393	2.127	20	30		FEEDHM
C=CCOc1ccc(OCC(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1	ZINC000819759312	599388278	/nfs/dbraw/zinc/38/82/78/599388278.db2.gz	TYCGJLKBOQGFJK-UHFFFAOYSA-N	-1	3	365.393	2.127	20	30		FEEDHM
Cc1cc(-c2nn[n-]n2)cc(C)c1OCC(=O)NCc1ccc(C#N)cc1	ZINC000822129680	599389773	/nfs/dbraw/zinc/38/97/73/599389773.db2.gz	NMLJASGDICYETK-UHFFFAOYSA-N	-1	3	362.393	2.050	20	30		FEEDHM
CN(C)c1ccc(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)cc1	ZINC000736774712	599460481	/nfs/dbraw/zinc/46/04/81/599460481.db2.gz	YFGKCVVSTIMOPB-HJWRWDBZSA-N	-1	3	359.393	2.477	20	30		FEEDHM
CN(C)c1ccc(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)cc1	ZINC000736774712	599460484	/nfs/dbraw/zinc/46/04/84/599460484.db2.gz	YFGKCVVSTIMOPB-HJWRWDBZSA-N	-1	3	359.393	2.477	20	30		FEEDHM
O=C1C(=Cc2cnc3ccc(-c4nnn[n-]4)cn23)COc2ccc(F)cc21	ZINC000738288351	599463755	/nfs/dbraw/zinc/46/37/55/599463755.db2.gz	BVCYCINUOXWCHO-VZUCSPMQSA-N	-1	3	362.324	2.312	20	30		FEEDHM
O=C1C(=Cc2cnc3ccc(-c4nn[n-]n4)cn23)COc2ccc(F)cc21	ZINC000738288351	599463758	/nfs/dbraw/zinc/46/37/58/599463758.db2.gz	BVCYCINUOXWCHO-VZUCSPMQSA-N	-1	3	362.324	2.312	20	30		FEEDHM
CC[C@H](Sc1nc(N)c(C#N)cc1-c1nnn[n-]1)C(=O)c1ccccc1	ZINC000736390695	599518416	/nfs/dbraw/zinc/51/84/16/599518416.db2.gz	JJYBBUSVHKKXLO-ZDUSSCGKSA-N	-1	3	365.422	2.469	20	30		FEEDHM
CC[C@H](Sc1nc(N)c(C#N)cc1-c1nn[n-]n1)C(=O)c1ccccc1	ZINC000736390695	599518419	/nfs/dbraw/zinc/51/84/19/599518419.db2.gz	JJYBBUSVHKKXLO-ZDUSSCGKSA-N	-1	3	365.422	2.469	20	30		FEEDHM
CN(Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)Cc1ccc(C#N)cc1	ZINC000821609875	599559070	/nfs/dbraw/zinc/55/90/70/599559070.db2.gz	PPPGXXHPXQTPHP-UHFFFAOYSA-N	-1	3	372.392	2.420	20	30		FEEDHM
CN(Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)Cc1ccc(C#N)cc1	ZINC000821609875	599559071	/nfs/dbraw/zinc/55/90/71/599559071.db2.gz	PPPGXXHPXQTPHP-UHFFFAOYSA-N	-1	3	372.392	2.420	20	30		FEEDHM
COc1cccc2c(C(=O)OCC(=O)Nc3sccc3C#N)n[n-]c21	ZINC000808672764	674467937	/nfs/dbraw/zinc/46/79/37/674467937.db2.gz	FJMOUSIIHLFVPI-UHFFFAOYSA-N	-1	3	356.363	2.300	20	30		FEEDHM
COc1cccc2c1n[n-]c2C(=O)OCC(=O)Nc1sccc1C#N	ZINC000808672764	674467938	/nfs/dbraw/zinc/46/79/38/674467938.db2.gz	FJMOUSIIHLFVPI-UHFFFAOYSA-N	-1	3	356.363	2.300	20	30		FEEDHM
COc1cc(C#N)ccc1OCCN1Cc2ccccc2C[C@H]1C(=O)[O-]	ZINC000737844659	600710744	/nfs/dbraw/zinc/71/07/44/600710744.db2.gz	PUPBXZBFIHUSIE-KRWDZBQOSA-N	-1	3	352.390	2.457	20	30		FEEDHM
Cc1nsc(N2CCCN([C@H](C(=O)[O-])c3cccc(C#N)c3)CC2)n1	ZINC000833024312	601322365	/nfs/dbraw/zinc/32/23/65/601322365.db2.gz	YQJYOVHDLWSWMU-HNNXBMFYSA-N	-1	3	357.439	2.056	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)c2ccc(C)cn2)ccc1F	ZINC000809346971	674491210	/nfs/dbraw/zinc/49/12/10/674491210.db2.gz	YQTWECLNEGUCLY-UHFFFAOYSA-N	-1	3	363.414	2.270	20	30		FEEDHM
COc1ccc(COC(=O)CCc2ccc(-c3nnn[n-]3)cc2)cc1C#N	ZINC000826205200	607599039	/nfs/dbraw/zinc/59/90/39/607599039.db2.gz	NVFRNFJBPLAGAG-UHFFFAOYSA-N	-1	3	363.377	2.423	20	30		FEEDHM
COc1ccc(COC(=O)CCc2ccc(-c3nn[n-]n3)cc2)cc1C#N	ZINC000826205200	607599040	/nfs/dbraw/zinc/59/90/40/607599040.db2.gz	NVFRNFJBPLAGAG-UHFFFAOYSA-N	-1	3	363.377	2.423	20	30		FEEDHM
C[C@](CNC(=O)[O-])(NCC(=O)Nc1ccc(C#N)c(Cl)c1)C1CC1	ZINC000824951787	604340335	/nfs/dbraw/zinc/34/03/35/604340335.db2.gz	AGLQAOMGKOKCPR-MRXNPFEDSA-N	-1	3	350.806	2.176	20	30		FEEDHM
C#CCN1CCC(C(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)CC1	ZINC000833364861	604872693	/nfs/dbraw/zinc/87/26/93/604872693.db2.gz	SVIPOMAVKPESRE-OAHLLOKOSA-N	-1	3	352.793	2.066	20	30		FEEDHM
C=CCn1c(CCN2CCCCC2)nnc1S[C@H](C(=O)[O-])C1CC1	ZINC000833379849	605071824	/nfs/dbraw/zinc/07/18/24/605071824.db2.gz	OALSYLNDDYEZAZ-HNNXBMFYSA-N	-1	3	350.488	2.448	20	30		FEEDHM
C#CCN1CCC(C(=O)N[C@H](C(=O)[O-])c2ccc3ccccc3c2)CC1	ZINC000833364573	605302744	/nfs/dbraw/zinc/30/27/44/605302744.db2.gz	ORGQSTJTVLEAIK-IBGZPJMESA-N	-1	3	350.418	2.427	20	30		FEEDHM
C=CCOc1ccc(CN2CC[C@@H](C(=O)OC)C[C@H]2C(=O)[O-])cc1OC	ZINC000833377690	605727472	/nfs/dbraw/zinc/72/74/72/605727472.db2.gz	JELLBBRTKBMSGF-CABCVRRESA-N	-1	3	363.410	2.098	20	30		FEEDHM
Cc1sc(NC(=O)CN(CCC#N)CC2CC2)c(-c2nnn[n-]2)c1C	ZINC000822558553	606114550	/nfs/dbraw/zinc/11/45/50/606114550.db2.gz	QVWJDFYELVRFJI-UHFFFAOYSA-N	-1	3	359.459	2.109	20	30		FEEDHM
Cc1sc(NC(=O)CN(CCC#N)CC2CC2)c(-c2nn[n-]n2)c1C	ZINC000822558553	606114552	/nfs/dbraw/zinc/11/45/52/606114552.db2.gz	QVWJDFYELVRFJI-UHFFFAOYSA-N	-1	3	359.459	2.109	20	30		FEEDHM
N#Cc1ccsc1N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)cc2)C1=O	ZINC000822842406	606243718	/nfs/dbraw/zinc/24/37/18/606243718.db2.gz	HFNRYTZZRQJZKP-CYBMUJFWSA-N	-1	3	351.395	2.017	20	30		FEEDHM
N#Cc1ccc(N2CC[C@H](Nc3ccc(F)c(-c4nnn[n-]4)c3)C2=O)cc1	ZINC000822830220	606249031	/nfs/dbraw/zinc/24/90/31/606249031.db2.gz	XNFWZVMMDXYZBG-INIZCTEOSA-N	-1	3	363.356	2.095	20	30		FEEDHM
N#Cc1ccc(N2CC[C@H](Nc3ccc(F)c(-c4nn[n-]n4)c3)C2=O)cc1	ZINC000822830220	606249032	/nfs/dbraw/zinc/24/90/32/606249032.db2.gz	XNFWZVMMDXYZBG-INIZCTEOSA-N	-1	3	363.356	2.095	20	30		FEEDHM
C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1	ZINC000820534702	606264393	/nfs/dbraw/zinc/26/43/93/606264393.db2.gz	NEVGMADVLAYFEK-JTQLQIEISA-N	-1	3	352.329	2.283	20	30		FEEDHM
C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1	ZINC000820534702	606264396	/nfs/dbraw/zinc/26/43/96/606264396.db2.gz	NEVGMADVLAYFEK-JTQLQIEISA-N	-1	3	352.329	2.283	20	30		FEEDHM
C#CCOc1ccc(N[C@@H](C(=O)OC)c2cccc(-c3nnn[n-]3)c2)cc1	ZINC000819709889	606304077	/nfs/dbraw/zinc/30/40/77/606304077.db2.gz	SQENANRTPXDUBY-QGZVFWFLSA-N	-1	3	363.377	2.205	20	30		FEEDHM
C#CCOc1ccc(N[C@@H](C(=O)OC)c2cccc(-c3nn[n-]n3)c2)cc1	ZINC000819709889	606304079	/nfs/dbraw/zinc/30/40/79/606304079.db2.gz	SQENANRTPXDUBY-QGZVFWFLSA-N	-1	3	363.377	2.205	20	30		FEEDHM
O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1ccc2c(c1)NC(=O)CO2	ZINC000823541258	606304499	/nfs/dbraw/zinc/30/44/99/606304499.db2.gz	NIPMHGNMRDTUIL-IHWYPQMZSA-N	-1	3	353.363	2.155	20	30		FEEDHM
O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1ccc2c(c1)NC(=O)CO2	ZINC000823541258	606304501	/nfs/dbraw/zinc/30/45/01/606304501.db2.gz	NIPMHGNMRDTUIL-IHWYPQMZSA-N	-1	3	353.363	2.155	20	30		FEEDHM
N#CCCN(CC(F)(F)F)C(=O)C=Cc1ccccc1-c1nnn[n-]1	ZINC000822806788	606372453	/nfs/dbraw/zinc/37/24/53/606372453.db2.gz	TWICSXSEYVHLBE-VOTSOKGWSA-N	-1	3	350.304	2.184	20	30		FEEDHM
N#CCCN(CC(F)(F)F)C(=O)C=Cc1ccccc1-c1nn[n-]n1	ZINC000822806788	606372454	/nfs/dbraw/zinc/37/24/54/606372454.db2.gz	TWICSXSEYVHLBE-VOTSOKGWSA-N	-1	3	350.304	2.184	20	30		FEEDHM
N#C[C@@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1	ZINC000822801935	606554135	/nfs/dbraw/zinc/55/41/35/606554135.db2.gz	RQTOLZATOFFYRB-OAHLLOKOSA-N	-1	3	352.785	2.444	20	30		FEEDHM
N#C[C@@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)cc1	ZINC000822801935	606554137	/nfs/dbraw/zinc/55/41/37/606554137.db2.gz	RQTOLZATOFFYRB-OAHLLOKOSA-N	-1	3	352.785	2.444	20	30		FEEDHM
N#CCOc1cc(F)ccc1NC(=O)Cc1cccc(-c2nnn[n-]2)c1	ZINC000822810930	606746808	/nfs/dbraw/zinc/74/68/08/606746808.db2.gz	OSZKKRDBZJQYPH-UHFFFAOYSA-N	-1	3	352.329	2.089	20	30		FEEDHM
N#CCOc1cc(F)ccc1NC(=O)Cc1cccc(-c2nn[n-]n2)c1	ZINC000822810930	606746809	/nfs/dbraw/zinc/74/68/09/606746809.db2.gz	OSZKKRDBZJQYPH-UHFFFAOYSA-N	-1	3	352.329	2.089	20	30		FEEDHM
O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1c[nH]c2ncccc12	ZINC000822936620	606777876	/nfs/dbraw/zinc/77/78/76/606777876.db2.gz	WJKNWZGTNYPKSK-PLNGDYQASA-N	-1	3	356.349	2.287	20	30		FEEDHM
O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1c[nH]c2ncccc12	ZINC000822936620	606777878	/nfs/dbraw/zinc/77/78/78/606777878.db2.gz	WJKNWZGTNYPKSK-PLNGDYQASA-N	-1	3	356.349	2.287	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C(=O)Nc1ccsc1	ZINC000819743641	606821605	/nfs/dbraw/zinc/82/16/05/606821605.db2.gz	NBESMZCDJHWFJI-UHFFFAOYSA-N	-1	3	368.422	2.082	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C(=O)Nc1ccsc1	ZINC000819743641	606821606	/nfs/dbraw/zinc/82/16/06/606821606.db2.gz	NBESMZCDJHWFJI-UHFFFAOYSA-N	-1	3	368.422	2.082	20	30		FEEDHM
C#CCOCCOC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1	ZINC000819701455	606823169	/nfs/dbraw/zinc/82/31/69/606823169.db2.gz	ICXZGKWSYYXHQU-UHFFFAOYSA-N	-1	3	363.377	2.417	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@@H]1CCCS1	ZINC000819742860	606835764	/nfs/dbraw/zinc/83/57/64/606835764.db2.gz	AWNIFBNWZQJENC-HNNXBMFYSA-N	-1	3	358.471	2.460	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@@H]1CCCS1	ZINC000819742860	606835766	/nfs/dbraw/zinc/83/57/66/606835766.db2.gz	AWNIFBNWZQJENC-HNNXBMFYSA-N	-1	3	358.471	2.460	20	30		FEEDHM
C#CCCCCNC(=O)CSc1nc(C)c(C)c(C)c1-c1nnn[n-]1	ZINC000819693147	606955383	/nfs/dbraw/zinc/95/53/83/606955383.db2.gz	NZFAPOQVUQJQJL-UHFFFAOYSA-N	-1	3	358.471	2.199	20	30		FEEDHM
C#CCCCCNC(=O)CSc1nc(C)c(C)c(C)c1-c1nn[n-]n1	ZINC000819693147	606955385	/nfs/dbraw/zinc/95/53/85/606955385.db2.gz	NZFAPOQVUQJQJL-UHFFFAOYSA-N	-1	3	358.471	2.199	20	30		FEEDHM
C=CCC(CC=C)C(=O)O[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O	ZINC000819734382	607004249	/nfs/dbraw/zinc/00/42/49/607004249.db2.gz	NLENOIHVNKGDKM-MRXNPFEDSA-N	-1	3	367.409	2.284	20	30		FEEDHM
C=CCC(CC=C)C(=O)O[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O	ZINC000819734382	607004251	/nfs/dbraw/zinc/00/42/51/607004251.db2.gz	NLENOIHVNKGDKM-MRXNPFEDSA-N	-1	3	367.409	2.284	20	30		FEEDHM
N#Cc1ccc(NC(=O)Cc2cc(F)c(F)cc2F)cc1-c1nnn[n-]1	ZINC000822829654	607238492	/nfs/dbraw/zinc/23/84/92/607238492.db2.gz	BXTMHSDLNHCIDX-UHFFFAOYSA-N	-1	3	358.283	2.337	20	30		FEEDHM
N#Cc1ccc(NC(=O)Cc2cc(F)c(F)cc2F)cc1-c1nn[n-]n1	ZINC000822829654	607238493	/nfs/dbraw/zinc/23/84/93/607238493.db2.gz	BXTMHSDLNHCIDX-UHFFFAOYSA-N	-1	3	358.283	2.337	20	30		FEEDHM
CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N(C[C@H](C)C#N)C1CC1	ZINC000825621654	607835075	/nfs/dbraw/zinc/83/50/75/607835075.db2.gz	WKVLRZAEZUZYID-LLVKDONJSA-N	-1	3	355.402	2.421	20	30		FEEDHM
CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N(C[C@H](C)C#N)C1CC1	ZINC000825621654	607835076	/nfs/dbraw/zinc/83/50/76/607835076.db2.gz	WKVLRZAEZUZYID-LLVKDONJSA-N	-1	3	355.402	2.421	20	30		FEEDHM
N#Cc1ccc(OC[C@H](O)COc2cc(Cl)ccc2-c2nnn[n-]2)cc1	ZINC000826385924	607878132	/nfs/dbraw/zinc/87/81/32/607878132.db2.gz	HPAULFKVWOHAAN-ZDUSSCGKSA-N	-1	3	371.784	2.210	20	30		FEEDHM
N#Cc1ccc(OC[C@H](O)COc2cc(Cl)ccc2-c2nn[n-]n2)cc1	ZINC000826385924	607878133	/nfs/dbraw/zinc/87/81/33/607878133.db2.gz	HPAULFKVWOHAAN-ZDUSSCGKSA-N	-1	3	371.784	2.210	20	30		FEEDHM
N#Cc1ccc(NC(=O)C=Cc2ccc(Cl)nc2)cc1-c1nnn[n-]1	ZINC000826385529	608005002	/nfs/dbraw/zinc/00/50/02/608005002.db2.gz	QACFGOKDYHXDHP-QHHAFSJGSA-N	-1	3	351.757	2.439	20	30		FEEDHM
N#Cc1ccc(NC(=O)C=Cc2ccc(Cl)nc2)cc1-c1nn[n-]n1	ZINC000826385529	608005003	/nfs/dbraw/zinc/00/50/03/608005003.db2.gz	QACFGOKDYHXDHP-QHHAFSJGSA-N	-1	3	351.757	2.439	20	30		FEEDHM
N#Cc1cc(CN2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)ccc1F	ZINC000826383936	608070608	/nfs/dbraw/zinc/07/06/08/608070608.db2.gz	YDLFRZZHSTZUEN-SFHVURJKSA-N	-1	3	364.384	2.451	20	30		FEEDHM
N#Cc1cc(CN2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)ccc1F	ZINC000826383936	608070609	/nfs/dbraw/zinc/07/06/09/608070609.db2.gz	YDLFRZZHSTZUEN-SFHVURJKSA-N	-1	3	364.384	2.451	20	30		FEEDHM
C=C(Br)CN1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1	ZINC000823874874	608071153	/nfs/dbraw/zinc/07/11/53/608071153.db2.gz	ZXTAXAQFAZTBIL-ZDUSSCGKSA-N	-1	3	350.220	2.149	20	30		FEEDHM
C=C(Br)CN1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1	ZINC000823874874	608071154	/nfs/dbraw/zinc/07/11/54/608071154.db2.gz	ZXTAXAQFAZTBIL-ZDUSSCGKSA-N	-1	3	350.220	2.149	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)CN1C[C@H](C2CC2)CC1=O	ZINC000823914668	608096641	/nfs/dbraw/zinc/09/66/41/608096641.db2.gz	LLGUSBZKBYVLDM-QGZVFWFLSA-N	-1	3	352.442	2.071	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)CN1C[C@H](C2CC2)CC1=O	ZINC000823914668	608096642	/nfs/dbraw/zinc/09/66/42/608096642.db2.gz	LLGUSBZKBYVLDM-QGZVFWFLSA-N	-1	3	352.442	2.071	20	30		FEEDHM
C#CCN(CC)C(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1	ZINC000823845490	608153871	/nfs/dbraw/zinc/15/38/71/608153871.db2.gz	UYRVJALICXYCTM-UHFFFAOYSA-N	-1	3	351.366	2.134	20	30		FEEDHM
C#CCN(CC)C(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1	ZINC000823845490	608153872	/nfs/dbraw/zinc/15/38/72/608153872.db2.gz	UYRVJALICXYCTM-UHFFFAOYSA-N	-1	3	351.366	2.134	20	30		FEEDHM
C[C@@H]1CC(NC(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)=NO1	ZINC000824893700	608207925	/nfs/dbraw/zinc/20/79/25/608207925.db2.gz	UARFCQSXCQWYPG-LLVKDONJSA-N	-1	3	363.381	2.462	20	30		FEEDHM
O=C(C#Cc1ccccc1)OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1	ZINC000826397296	608317830	/nfs/dbraw/zinc/31/78/30/608317830.db2.gz	ZZOZEYUKCLVLSD-UHFFFAOYSA-N	-1	3	372.344	2.012	20	30		FEEDHM
O=C(C#Cc1ccccc1)OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1	ZINC000826397296	608317833	/nfs/dbraw/zinc/31/78/33/608317833.db2.gz	ZZOZEYUKCLVLSD-UHFFFAOYSA-N	-1	3	372.344	2.012	20	30		FEEDHM
COc1ccc(C=NNc2cc(-c3nn[n-]n3)cc(Cl)n2)cc1[N+](=O)[O-]	ZINC000826190617	608537444	/nfs/dbraw/zinc/53/74/44/608537444.db2.gz	HTXRKBIBYFUSCB-UHFFFAOYSA-N	-1	3	374.748	2.278	20	30		FEEDHM
N#Cc1ccc(OC2CCC(Nc3ncccc3-c3nnn[n-]3)CC2)nc1	ZINC000826386255	608557371	/nfs/dbraw/zinc/55/73/71/608557371.db2.gz	WEOUAKWYJXYGDH-UHFFFAOYSA-N	-1	3	362.397	2.330	20	30		FEEDHM
N#Cc1ccc(OC2CCC(Nc3ncccc3-c3nn[n-]n3)CC2)nc1	ZINC000826386255	608557373	/nfs/dbraw/zinc/55/73/73/608557373.db2.gz	WEOUAKWYJXYGDH-UHFFFAOYSA-N	-1	3	362.397	2.330	20	30		FEEDHM
C#CCOc1ccc(C(=O)Nc2nc3c(cc2-c2nnn[n-]2)CCCC3)cc1	ZINC000823856346	608571310	/nfs/dbraw/zinc/57/13/10/608571310.db2.gz	PBIZPACXEFMEKQ-UHFFFAOYSA-N	-1	3	374.404	2.405	20	30		FEEDHM
C#CCOc1ccc(C(=O)Nc2nc3c(cc2-c2nn[n-]n2)CCCC3)cc1	ZINC000823856346	608571312	/nfs/dbraw/zinc/57/13/12/608571312.db2.gz	PBIZPACXEFMEKQ-UHFFFAOYSA-N	-1	3	374.404	2.405	20	30		FEEDHM
N#CCCN(CC(F)(F)F)C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1	ZINC000826381405	608577407	/nfs/dbraw/zinc/57/74/07/608577407.db2.gz	KLXZMVFAEJBOLE-UHFFFAOYSA-N	-1	3	358.711	2.438	20	30		FEEDHM
N#CCCN(CC(F)(F)F)C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1	ZINC000826381405	608577409	/nfs/dbraw/zinc/57/74/09/608577409.db2.gz	KLXZMVFAEJBOLE-UHFFFAOYSA-N	-1	3	358.711	2.438	20	30		FEEDHM
C=CCN(Cc1c(C)nn(C)c1OC)Cc1cccc(-c2nnn[n-]2)c1	ZINC000823914811	608632522	/nfs/dbraw/zinc/63/25/22/608632522.db2.gz	NXITYSPMTSIBHD-UHFFFAOYSA-N	-1	3	353.430	2.105	20	30		FEEDHM
C=CCN(Cc1c(C)nn(C)c1OC)Cc1cccc(-c2nn[n-]n2)c1	ZINC000823914811	608632525	/nfs/dbraw/zinc/63/25/25/608632525.db2.gz	NXITYSPMTSIBHD-UHFFFAOYSA-N	-1	3	353.430	2.105	20	30		FEEDHM
Cc1c(C(=O)C=Cc2cccc3nccn32)c(-c2nnn[n-]2)c2n1CCC2	ZINC000826234313	608753367	/nfs/dbraw/zinc/75/33/67/608753367.db2.gz	QFWBIQFUIGTAOR-FPLPWBNLSA-N	-1	3	359.393	2.467	20	30		FEEDHM
Cc1c(C(=O)C=Cc2cccc3nccn32)c(-c2nn[n-]n2)c2n1CCC2	ZINC000826234313	608753371	/nfs/dbraw/zinc/75/33/71/608753371.db2.gz	QFWBIQFUIGTAOR-FPLPWBNLSA-N	-1	3	359.393	2.467	20	30		FEEDHM
N#Cc1cccc([C@H]2CN(Cc3cc(-c4nnn[n-]4)cs3)CCO2)c1	ZINC000826386946	608854702	/nfs/dbraw/zinc/85/47/02/608854702.db2.gz	ZGMOGQJVOIKYHM-MRXNPFEDSA-N	-1	3	352.423	2.373	20	30		FEEDHM
N#Cc1cccc([C@H]2CN(Cc3cc(-c4nn[n-]n4)cs3)CCO2)c1	ZINC000826386946	608854705	/nfs/dbraw/zinc/85/47/05/608854705.db2.gz	ZGMOGQJVOIKYHM-MRXNPFEDSA-N	-1	3	352.423	2.373	20	30		FEEDHM
C[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCC(C)(C#N)CC1	ZINC000824045627	609141929	/nfs/dbraw/zinc/14/19/29/609141929.db2.gz	NPFWIWNYHYTGCB-NSHDSACASA-N	-1	3	373.848	2.473	20	30		FEEDHM
C[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCC(C)(C#N)CC1	ZINC000824045627	609141931	/nfs/dbraw/zinc/14/19/31/609141931.db2.gz	NPFWIWNYHYTGCB-NSHDSACASA-N	-1	3	373.848	2.473	20	30		FEEDHM
CC(=NNc1nc2ccccc2c(=O)[nH]1)c1ccc(-c2nnn[n-]2)c(F)c1	ZINC000823962267	609160780	/nfs/dbraw/zinc/16/07/80/609160780.db2.gz	INNBZRJGONNVFH-UHFFFAOYSA-N	-1	3	364.344	2.491	20	30		FEEDHM
CC(=NNc1nc2ccccc2c(=O)[nH]1)c1ccc(-c2nn[n-]n2)c(F)c1	ZINC000823962267	609160782	/nfs/dbraw/zinc/16/07/82/609160782.db2.gz	INNBZRJGONNVFH-UHFFFAOYSA-N	-1	3	364.344	2.491	20	30		FEEDHM
C=CCN(Cc1cccs1)C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1	ZINC000823920012	609189499	/nfs/dbraw/zinc/18/94/99/609189499.db2.gz	WMZDWOACOYXZFU-HNNXBMFYSA-N	-1	3	355.423	2.176	20	30		FEEDHM
C=CCN(Cc1cccs1)C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1	ZINC000823920012	609189501	/nfs/dbraw/zinc/18/95/01/609189501.db2.gz	WMZDWOACOYXZFU-HNNXBMFYSA-N	-1	3	355.423	2.176	20	30		FEEDHM
CC(=NNC(=S)Nc1ccccn1)c1ccc(-c2nnn[n-]2)cc1F	ZINC000823953739	609276964	/nfs/dbraw/zinc/27/69/64/609276964.db2.gz	NWTHCWBOOXQEIB-UHFFFAOYSA-N	-1	3	356.390	2.111	20	30		FEEDHM
CC(=NNC(=S)Nc1ccccn1)c1ccc(-c2nn[n-]n2)cc1F	ZINC000823953739	609276966	/nfs/dbraw/zinc/27/69/66/609276966.db2.gz	NWTHCWBOOXQEIB-UHFFFAOYSA-N	-1	3	356.390	2.111	20	30		FEEDHM
Cc1nnc(SCCOc2ccccc2-c2nnn[n-]2)c(C#N)c1C	ZINC000826336871	609307119	/nfs/dbraw/zinc/30/71/19/609307119.db2.gz	RPWUNMPVHOPXGR-UHFFFAOYSA-N	-1	3	353.411	2.316	20	30		FEEDHM
Cc1nnc(SCCOc2ccccc2-c2nn[n-]n2)c(C#N)c1C	ZINC000826336871	609307121	/nfs/dbraw/zinc/30/71/21/609307121.db2.gz	RPWUNMPVHOPXGR-UHFFFAOYSA-N	-1	3	353.411	2.316	20	30		FEEDHM
C[C@@H](C#N)Oc1ccccc1NC(=O)COc1ccccc1-c1nnn[n-]1	ZINC000824033971	609625076	/nfs/dbraw/zinc/62/50/76/609625076.db2.gz	DIGLHACJWLNPSY-LBPRGKRZSA-N	-1	3	364.365	2.175	20	30		FEEDHM
C[C@@H](C#N)Oc1ccccc1NC(=O)COc1ccccc1-c1nn[n-]n1	ZINC000824033971	609625077	/nfs/dbraw/zinc/62/50/77/609625077.db2.gz	DIGLHACJWLNPSY-LBPRGKRZSA-N	-1	3	364.365	2.175	20	30		FEEDHM
C#CCOc1ccc([N-]S(=O)(=O)c2cccc(CC(=O)OC)c2)cc1	ZINC000811684530	674620533	/nfs/dbraw/zinc/62/05/33/674620533.db2.gz	NIRLTQRNPPABFF-UHFFFAOYSA-N	-1	3	359.403	2.215	20	30		FEEDHM
N#Cc1cc(NCC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)ccn1	ZINC000561356987	674659847	/nfs/dbraw/zinc/65/98/47/674659847.db2.gz	LQFSZOQMGRAGCX-UHFFFAOYSA-N	-1	3	371.249	2.072	20	30		FEEDHM
Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N[C@@H]1CCN([O-])C1=O	ZINC000816691056	675073395	/nfs/dbraw/zinc/07/33/95/675073395.db2.gz	JVHYDXODIPDQHX-LLVKDONJSA-N	-1	3	351.815	2.492	20	30		FEEDHM
Cc1c2cc(Br)ccc2oc1C(=O)N[C@@H]1CCN([O-])C1=O	ZINC000816693587	675073795	/nfs/dbraw/zinc/07/37/95/675073795.db2.gz	ODGLJZOVALXFBV-SNVBAGLBSA-N	-1	3	353.172	2.224	20	30		FEEDHM
O=C(N[C@H]1CCN([O-])C1=O)c1ccc(Sc2ccccc2Cl)nn1	ZINC000816697300	675073896	/nfs/dbraw/zinc/07/38/96/675073896.db2.gz	XDDFPACTECVERS-NSHDSACASA-N	-1	3	364.814	2.001	20	30		FEEDHM
O=C(N[C@H]1CCCN([O-])C1=O)c1cc2cc(Br)ccc2o1	ZINC000816754640	675077575	/nfs/dbraw/zinc/07/75/75/675077575.db2.gz	JAORJVDHTBUQNU-JTQLQIEISA-N	-1	3	353.172	2.305	20	30		FEEDHM
CCN(CC)c1nc2sc(C(=O)N[C@H]3CCCN([O-])C3=O)cc2s1	ZINC000816755065	675077744	/nfs/dbraw/zinc/07/77/44/675077744.db2.gz	SCJSYHBOCFFOGC-VIFPVBQESA-N	-1	3	368.484	2.314	20	30		FEEDHM
Cc1ccc(Cl)c2c1NC(=O)/C2=N\[N-]S(=O)(=O)Cc1ccccc1	ZINC000057784490	670371551	/nfs/dbraw/zinc/37/15/51/670371551.db2.gz	HDBWGPZQVBCYHJ-UHFFFAOYSA-N	-1	3	363.826	2.424	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)NC[C@H](OC)C(C)(C)C)ccc1F	ZINC000073215877	670500784	/nfs/dbraw/zinc/50/07/84/670500784.db2.gz	KMPCVKTXPCNYOV-HNNXBMFYSA-N	-1	3	372.462	2.081	20	30		FEEDHM
CN(C)C(=O)[C@@H]1CC[C@H](C/N=C/c2cc(Br)ccc2[O-])O1	ZINC000091515485	670727688	/nfs/dbraw/zinc/72/76/88/670727688.db2.gz	NSMITWHPEPEMJF-PJHZIYRWSA-N	-1	3	355.232	2.209	20	30		FEEDHM
COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)c1cc(C#N)ccc1Cl	ZINC000575090123	671297876	/nfs/dbraw/zinc/29/78/76/671297876.db2.gz	MQJMKAUCHVZWMZ-UHFFFAOYSA-N	-1	3	361.741	2.365	20	30		FEEDHM
CSc1[n-]c(=O)c(C(=O)N2CCC(c3cn[nH]c3C)CC2)cc1C#N	ZINC000577760319	671618519	/nfs/dbraw/zinc/61/85/19/671618519.db2.gz	XPFRFDRCJJYRCK-UHFFFAOYSA-N	-1	3	357.439	2.432	20	30		FEEDHM
CC(C)(C)[C@@H]([N-]S(C)(=O)=O)C(=O)OC[C@H](C#N)Cc1ccc(F)cc1	ZINC000156874494	672251859	/nfs/dbraw/zinc/25/18/59/672251859.db2.gz	AAFBGRDFRWCJGK-ZFWWWQNUSA-N	-1	3	370.446	2.015	20	30		FEEDHM
N#CC(=C([O-])c1cnn(CC(F)(F)F)c1)c1nnc2n1CCCCC2	ZINC000682499671	672765456	/nfs/dbraw/zinc/76/54/56/672765456.db2.gz	XZKPSTTUVKXSII-LLVKDONJSA-N	-1	3	352.320	2.253	20	30		FEEDHM
CO[C@H](CS(=O)(=O)[N-]c1ccc(C#N)cc1Cl)C1CCOCC1	ZINC000592352265	672790415	/nfs/dbraw/zinc/79/04/15/672790415.db2.gz	YOZYXTAKPXKNNY-OAHLLOKOSA-N	-1	3	358.847	2.395	20	30		FEEDHM
CCOC(=O)c1ccc(S(=O)(=O)[N-]CC2(C#N)CCCC2)c(F)c1	ZINC000593622381	672960705	/nfs/dbraw/zinc/96/07/05/672960705.db2.gz	DPDQKTCESKYPDV-UHFFFAOYSA-N	-1	3	354.403	2.365	20	30		FEEDHM
Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)NCc1nc(C(F)(F)F)n[n-]1	ZINC000330104035	673085821	/nfs/dbraw/zinc/08/58/21/673085821.db2.gz	HHPYBJOCYDYDBU-VIFPVBQESA-N	-1	3	357.340	2.415	20	30		FEEDHM
Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)NCc1nc(C(F)(F)F)n[n-]1	ZINC000330104034	673085991	/nfs/dbraw/zinc/08/59/91/673085991.db2.gz	HHPYBJOCYDYDBU-SECBINFHSA-N	-1	3	357.340	2.415	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(-c2nc(C[C@@H](C)COC)no2)ccc1F	ZINC000351471604	673141764	/nfs/dbraw/zinc/14/17/64/673141764.db2.gz	ZQULOXWOJDQUFZ-LLVKDONJSA-N	-1	3	369.418	2.165	20	30		FEEDHM
N#CC1(C[N-]S(=O)(=O)c2cc3oc(=O)[nH]c3cc2F)CCCCC1	ZINC000594884887	673175055	/nfs/dbraw/zinc/17/50/55/673175055.db2.gz	XTWCYSQMBQPWIN-UHFFFAOYSA-N	-1	3	353.375	2.013	20	30		FEEDHM
C#CC[C@@H](CCOC)[N-]S(=O)(=O)c1cc(F)ccc1Br	ZINC000859424776	683107359	/nfs/dbraw/zinc/10/73/59/683107359.db2.gz	WAYQMBXZXUCYRY-NSHDSACASA-N	-1	3	364.236	2.295	20	30		FEEDHM
Cc1cc(=O)[n-]c(C(C)(C)NCC(=O)Nc2cc(Cl)ccc2C#N)n1	ZINC000595524913	673261356	/nfs/dbraw/zinc/26/13/56/673261356.db2.gz	ALTMDJGODDHDJS-UHFFFAOYSA-N	-1	3	359.817	2.479	20	30		FEEDHM
C=CC[C@H](CO)C[N-]S(=O)(=O)c1cc(Br)ccc1F	ZINC000538121609	673422854	/nfs/dbraw/zinc/42/28/54/673422854.db2.gz	ZEYUFQIHGRJKCC-VIFPVBQESA-N	-1	3	352.225	2.051	20	30		FEEDHM
COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)n1ccc(C=N[O-])nc1=O	ZINC000736302488	673518717	/nfs/dbraw/zinc/51/87/17/673518717.db2.gz	LIGIFHQCSGTWNF-SNVBAGLBSA-N	-1	3	364.789	2.222	20	30		FEEDHM
COc1cccc([C@H](CO)[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c1	ZINC000613928068	676153685	/nfs/dbraw/zinc/15/36/85/676153685.db2.gz	NGWCHTRHMCYMPW-HNNXBMFYSA-N	-1	3	366.826	2.232	20	30		FEEDHM
C=CCOc1cccc([N-]S(=O)(=O)C2CN(C(=O)C3CCCC3)C2)c1	ZINC000543768261	673669268	/nfs/dbraw/zinc/66/92/68/673669268.db2.gz	DYXRCKBXNHJJDQ-UHFFFAOYSA-N	-1	3	364.467	2.394	20	30		FEEDHM
C[C@H](CC(=O)N1CCCCCCC1)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000742506997	673729457	/nfs/dbraw/zinc/72/94/57/673729457.db2.gz	RUCTWSONIWJDGL-CQSZACIVSA-N	-1	3	363.483	2.296	20	30		FEEDHM
CCOC(=O)[C@H](Cc1cccc(Cl)c1)[N-]S(=O)(=O)CCCCC#N	ZINC000546761757	673816172	/nfs/dbraw/zinc/81/61/72/673816172.db2.gz	NHWKASGJLVECHX-HNNXBMFYSA-N	-1	3	372.874	2.427	20	30		FEEDHM
CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NCC[C@H](C)F	ZINC000818290208	675211195	/nfs/dbraw/zinc/21/11/95/675211195.db2.gz	AANDLBDULYEOIP-JSGCOSHPSA-N	-1	3	369.462	2.148	20	30		FEEDHM
Cc1cc2c(o1)c(C(=O)N[C@H]1CCN([O-])C1=O)ccc2Br	ZINC000820143033	675339230	/nfs/dbraw/zinc/33/92/30/675339230.db2.gz	BHRSKTOCPCFRHS-NSHDSACASA-N	-1	3	353.172	2.224	20	30		FEEDHM
Cc1cc2cc(C(=O)N[C@@H]3CCN([O-])C3=O)oc2c(Br)c1	ZINC000820174157	675341281	/nfs/dbraw/zinc/34/12/81/675341281.db2.gz	GZIMCFQKCXFDES-SNVBAGLBSA-N	-1	3	353.172	2.224	20	30		FEEDHM
Cc1cc(C(=O)N[C@@H]2CCN([O-])C2=O)nn1-c1ccc(Cl)c(Cl)c1	ZINC000820178958	675341616	/nfs/dbraw/zinc/34/16/16/675341616.db2.gz	CDBJQBDQLMFBRP-GFCCVEGCSA-N	-1	3	369.208	2.207	20	30		FEEDHM
Cc1cc(C(=O)N[C@H]2CCN([O-])C2=O)c2cc(Br)ccc2n1	ZINC000820185339	675342075	/nfs/dbraw/zinc/34/20/75/675342075.db2.gz	NGCVQCMASGCNKD-ZDUSSCGKSA-N	-1	3	364.199	2.026	20	30		FEEDHM
O=C(CCSc1ccnc2cc(Cl)ccc21)N[C@H]1CCN([O-])C1=O	ZINC000820185703	675342245	/nfs/dbraw/zinc/34/22/45/675342245.db2.gz	QBWAXIHAMNKOMI-LBPRGKRZSA-N	-1	3	365.842	2.477	20	30		FEEDHM
C#CC[C@H]([N-]S(=O)(=O)c1coc(C(=O)N(C)C)c1C)c1ccccc1	ZINC000827388308	675752646	/nfs/dbraw/zinc/75/26/46/675752646.db2.gz	GFUSWFIBRMAAFG-HNNXBMFYSA-N	-1	3	360.435	2.333	20	30		FEEDHM
C=CCCCCCN(C)C(=O)[C@H](C)[N-]S(=O)(=O)c1c(C)noc1C	ZINC000606884328	675844786	/nfs/dbraw/zinc/84/47/86/675844786.db2.gz	XNQAWARJVRXFEE-ZDUSSCGKSA-N	-1	3	357.476	2.163	20	30		FEEDHM
CC[C@@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2ccc(C#N)cc2F)n[nH]1	ZINC000616980261	676264712	/nfs/dbraw/zinc/26/47/12/676264712.db2.gz	JKHWBAJCKITQRI-NXEZZACHSA-N	-1	3	351.407	2.368	20	30		FEEDHM
C#C[C@@H]([N-]S(=O)(=O)c1cnc(Cl)c(Br)c1)C(C)C	ZINC000831374057	679973799	/nfs/dbraw/zinc/97/37/99/679973799.db2.gz	CHJJWUZUOZPWFB-SNVBAGLBSA-N	-1	3	351.653	2.434	20	30		FEEDHM
C#CCN(C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)C1CCCCC1	ZINC000749851708	680081328	/nfs/dbraw/zinc/08/13/28/680081328.db2.gz	OFKVANGQPCSYSX-UHFFFAOYSA-N	-1	3	374.915	2.474	20	30		FEEDHM
N#Cc1ccccc1COC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1	ZINC000750214650	680106654	/nfs/dbraw/zinc/10/66/54/680106654.db2.gz	BEBFKNWIYNYAGF-UHFFFAOYSA-N	-1	3	370.839	2.295	20	30		FEEDHM
C[C@H](CC(=O)NCCCC(C)(F)F)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000833069664	680187799	/nfs/dbraw/zinc/18/77/99/680187799.db2.gz	BXUJEFFGOYNXTL-LLVKDONJSA-N	-1	3	373.425	2.055	20	30		FEEDHM
CCCn1cc(C([O-])=C(C#N)C(=O)Nc2ccc(OC)c(Cl)c2)nn1	ZINC000766623948	680883103	/nfs/dbraw/zinc/88/31/03/680883103.db2.gz	WPHQUUCQVVMFNP-LLVKDONJSA-N	-1	3	361.789	2.311	20	30		FEEDHM
C#CC[C@@H]1CCCN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)C1	ZINC000843679754	681013384	/nfs/dbraw/zinc/01/33/84/681013384.db2.gz	WHSPHRAVKJMKHS-CQSZACIVSA-N	-1	3	366.458	2.388	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)OCc2ccc(C)cn2)ccc1F	ZINC000772255576	681090628	/nfs/dbraw/zinc/09/06/28/681090628.db2.gz	OBPRVMPYPMFKAD-UHFFFAOYSA-N	-1	3	364.398	2.350	20	30		FEEDHM
C=C[C@@H](C)O[N-]C(=O)CCCNS(=O)(=O)c1ccc2c(c1)CCCC2	ZINC000846543563	681257468	/nfs/dbraw/zinc/25/74/68/681257468.db2.gz	QUBDRISUKHEIOM-CQSZACIVSA-N	-1	3	366.483	2.246	20	30		FEEDHM
C#C[C@@H]1CCCN(C(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)C1	ZINC000847133236	681336087	/nfs/dbraw/zinc/33/60/87/681336087.db2.gz	GYYQKUTUBCMDOF-CYBMUJFWSA-N	-1	3	365.455	2.334	20	30		FEEDHM
CC(=NNC1CCS(=O)(=O)CC1)c1ccc(Br)cc1[O-]	ZINC000776795539	681436901	/nfs/dbraw/zinc/43/69/01/681436901.db2.gz	WHYTWURTWVCAKS-UHFFFAOYSA-N	-1	3	361.261	2.046	20	30		FEEDHM
COCc1nc(C(=O)N[C@H]2CCCN([O-])C2=O)c(-c2ccccc2)s1	ZINC000848133144	681478154	/nfs/dbraw/zinc/47/81/54/681478154.db2.gz	SSRYOZRXXKIIFO-LBPRGKRZSA-N	-1	3	361.423	2.067	20	30		FEEDHM
CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCN([O-])C1=O	ZINC000848136618	681478610	/nfs/dbraw/zinc/47/86/10/681478610.db2.gz	ZCWUVTSVRBLKJV-LBPRGKRZSA-N	-1	3	353.400	2.207	20	30		FEEDHM
Cn1cc(S(=O)(=O)[N-]C2(c3ccc(C#N)cc3)CCC2)nc1Cl	ZINC000848502336	681562264	/nfs/dbraw/zinc/56/22/64/681562264.db2.gz	LPHIHPVDUPNLDA-UHFFFAOYSA-N	-1	3	350.831	2.303	20	30		FEEDHM
O=C1CCC(=N[N-]S(=O)(=O)CCc2ccccc2)c2ccccc2N1	ZINC000783850488	682181547	/nfs/dbraw/zinc/18/15/47/682181547.db2.gz	YFTMGFWNMIJBCJ-UHFFFAOYSA-N	-1	3	357.435	2.285	20	30		FEEDHM
CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OC/C=C\Cl	ZINC000916610867	685526089	/nfs/dbraw/zinc/52/60/89/685526089.db2.gz	IFNBLPYDWHNUHO-UJZCVKTISA-N	-1	3	370.858	2.436	20	30		FEEDHM
C=C(C)COCC[N-]S(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C	ZINC000788654145	682546873	/nfs/dbraw/zinc/54/68/73/682546873.db2.gz	YTWWEXJASGXNDT-UHFFFAOYSA-N	-1	3	367.876	2.368	20	30		FEEDHM
O=C([N-][C@H]1CCCN(O)C1=O)C(F)(F)c1ccc(Br)cc1	ZINC000854648466	682575211	/nfs/dbraw/zinc/57/52/11/682575211.db2.gz	DZDYQRDWXIVPDP-JTQLQIEISA-N	-1	3	363.158	2.037	20	30		FEEDHM
C=CCCCNC(=O)[C@@H](CC(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000791147433	682724519	/nfs/dbraw/zinc/72/45/19/682724519.db2.gz	ZJQUNIWPPPQESD-OAHLLOKOSA-N	-1	3	363.483	2.222	20	30		FEEDHM
N#CCc1ccccc1S(=O)(=O)[N-]c1ccc(N2CCOCC2)cc1	ZINC000794578745	682981435	/nfs/dbraw/zinc/98/14/35/682981435.db2.gz	LRRBSDRBVIDVOD-UHFFFAOYSA-N	-1	3	357.435	2.390	20	30		FEEDHM
CCN(C[C@@H](C)C#N)C(=O)COC(=O)c1cc([O-])cc(Br)c1	ZINC000860201199	683215107	/nfs/dbraw/zinc/21/51/07/683215107.db2.gz	ILLPTQLNXQZUKQ-JTQLQIEISA-N	-1	3	369.215	2.320	20	30		FEEDHM
O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)OCC1CCC2(CC2)CC1	ZINC000861246297	683375368	/nfs/dbraw/zinc/37/53/68/683375368.db2.gz	WOLRFKSWWGFITQ-UHFFFAOYSA-N	-1	3	362.451	2.239	20	30		FEEDHM
CCN(C(=O)C[N-]S(=O)(=O)Cc1csc(C#N)c1)c1ccccc1	ZINC000921002357	683386519	/nfs/dbraw/zinc/38/65/19/683386519.db2.gz	GXCVEINNDCTZAH-UHFFFAOYSA-N	-1	3	363.464	2.092	20	30		FEEDHM
C[C@H](CC(=O)NC[C@@H]1CCC[C@@H]1C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000799061078	683418617	/nfs/dbraw/zinc/41/86/17/683418617.db2.gz	KGFLBZYXCYEJKI-MJBXVCDLSA-N	-1	3	363.483	2.056	20	30		FEEDHM
C#CCCCCCC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F	ZINC000799405482	683452780	/nfs/dbraw/zinc/45/27/80/683452780.db2.gz	YGEDXDOWWZXOTA-UHFFFAOYSA-N	-1	3	374.865	2.457	20	30		FEEDHM
C#CCN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)C(C)C	ZINC000928628148	683477697	/nfs/dbraw/zinc/47/76/97/683477697.db2.gz	CJVZFBBUQIITNY-UHFFFAOYSA-N	-1	3	354.447	2.386	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H]2CC[C@H]3C[C@H]3C2)ccc1F	ZINC000862378630	683580270	/nfs/dbraw/zinc/58/02/70/683580270.db2.gz	DZNYSPVTCLYDLU-VNHYZAJKSA-N	-1	3	366.458	2.456	20	30		FEEDHM
COc1ccc(C[N-]S(=O)(=O)c2ccsc2C#N)c(C)c1OC	ZINC000921927500	683616640	/nfs/dbraw/zinc/61/66/40/683616640.db2.gz	KTROHWQOZVDQFQ-UHFFFAOYSA-N	-1	3	352.437	2.424	20	30		FEEDHM
C#CCN1CCC[C@H](NC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)C1	ZINC000923598823	684311928	/nfs/dbraw/zinc/31/19/28/684311928.db2.gz	XRGFNINNCRSURW-LBPRGKRZSA-N	-1	3	364.471	2.318	20	30		FEEDHM
CSc1cc(C(=O)N[C@H]2CCCN([O-])C2=O)ccc1Br	ZINC000868563276	684511883	/nfs/dbraw/zinc/51/18/83/684511883.db2.gz	PSTHCHUIHNDUNJ-JTQLQIEISA-N	-1	3	359.245	2.281	20	30		FEEDHM
C[C@H](CC(=O)N[C@H](C)CC1CCC1)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000871087423	684785621	/nfs/dbraw/zinc/78/56/21/684785621.db2.gz	AYITULJCORMNSN-CHWSQXEVSA-N	-1	3	363.483	2.199	20	30		FEEDHM
Cc1c(NC(=O)N[C@@H]2CCCN([O-])C2=O)cnn1-c1ccc(Cl)cc1	ZINC000879600688	686867609	/nfs/dbraw/zinc/86/76/09/686867609.db2.gz	VVXCPJVWISCHOB-CYBMUJFWSA-N	-1	3	363.805	2.336	20	30		FEEDHM
CN(C)c1ccc(NC(=O)N[C@@H]2CCCN([O-])C2=O)cc1C(F)(F)F	ZINC000879890120	686939859	/nfs/dbraw/zinc/93/98/59/686939859.db2.gz	DNMJWHUQASYMBU-LLVKDONJSA-N	-1	3	360.336	2.273	20	30		FEEDHM
C=C(C)C[C@@H](CO)[N-]S(=O)(=O)c1sc(C)cc1Br	ZINC000882848349	687512889	/nfs/dbraw/zinc/51/28/89/687512889.db2.gz	GGZXUMTYLKSGPK-VIFPVBQESA-N	-1	3	354.291	2.424	20	30		FEEDHM
O=C1[C@@H](NCC2=Cc3cc(Br)ccc3OC2)CCCN1[O-]	ZINC000895164089	689670014	/nfs/dbraw/zinc/67/00/14/689670014.db2.gz	BUWGCUMYJVRSEU-ZDUSSCGKSA-N	-1	3	353.216	2.195	20	30		FEEDHM
N#Cc1ncc(C(F)(F)F)cc1N[C@H]1CCN(c2cc(=O)[n-]cn2)C1	ZINC000897345219	690009289	/nfs/dbraw/zinc/00/92/89/690009289.db2.gz	JDNHBFIFGGQRGQ-JTQLQIEISA-N	-1	3	350.304	2.158	20	30		FEEDHM
COC(=O)C1CC2(C1)C[C@@H](/N=C\c1c(CO)cnc(C)c1[O-])CCS2	ZINC000899232596	690323226	/nfs/dbraw/zinc/32/32/26/690323226.db2.gz	QNZHUBNDXLSWJZ-CBJYQOAOSA-N	-1	3	364.467	2.224	20	30		FEEDHM
Cn1cc(N2C[C@H](C(=O)N([O-])Cc3ccccc3Cl)CCC2=O)cn1	ZINC000900678562	690547344	/nfs/dbraw/zinc/54/73/44/690547344.db2.gz	JNNUULJEZFJAJG-CYBMUJFWSA-N	-1	3	362.817	2.235	20	30		FEEDHM
COc1ccc(S(=O)(=O)[N-][C@H](CC#N)C(F)(F)F)c2ncccc12	ZINC000901772678	690692855	/nfs/dbraw/zinc/69/28/55/690692855.db2.gz	VWIKBCBNOJJXSN-GFCCVEGCSA-N	-1	3	359.329	2.366	20	30		FEEDHM
C=CCOC[C@@H](NCc1cc(Br)cc2c1OCC2)C(=O)[O-]	ZINC000901809231	690696823	/nfs/dbraw/zinc/69/68/23/690696823.db2.gz	PKPCKCMRWHMXRK-CYBMUJFWSA-N	-1	3	356.216	2.129	20	30		FEEDHM
Cn1ccnc1[C@](O)(CC(=O)N([O-])Cc1ccc(F)cc1)C(F)(F)F	ZINC000904174523	691009914	/nfs/dbraw/zinc/00/99/14/691009914.db2.gz	DGKWJUNFZVMJQN-CQSZACIVSA-N	-1	3	361.295	2.117	20	30		FEEDHM
COCC[C@H](NC(=O)OC(C)(C)C)C(=O)N([O-])Cc1ccc(F)cc1	ZINC000904178813	691010353	/nfs/dbraw/zinc/01/03/53/691010353.db2.gz	VINZYFVZUZFCDJ-AWEZNQCLSA-N	-1	3	356.394	2.473	20	30		FEEDHM
C[C@H](CC(F)(F)F)C(=O)N([O-])CCCN1C(=O)c2ccccc2C1=O	ZINC000904185986	691011165	/nfs/dbraw/zinc/01/11/65/691011165.db2.gz	NEUOTXQTCVCKKP-SNVBAGLBSA-N	-1	3	358.316	2.479	20	30		FEEDHM
CS(=O)(=O)N1CCC(CC(=O)N([O-])Cc2ccccc2Cl)CC1	ZINC000904192492	691011433	/nfs/dbraw/zinc/01/14/33/691011433.db2.gz	OAOQVIPDHYDLCZ-UHFFFAOYSA-N	-1	3	360.863	2.120	20	30		FEEDHM
O=C(CCCc1ccc(Br)cc1)N[C@H]1CCCN([O-])C1=O	ZINC000908406170	691673996	/nfs/dbraw/zinc/67/39/96/691673996.db2.gz	MUJWIYLBJHQJBD-ZDUSSCGKSA-N	-1	3	355.232	2.268	20	30		FEEDHM
O=C(Cc1cc(Br)ccc1Cl)N[C@H]1CCCN([O-])C1=O	ZINC000908405121	691674117	/nfs/dbraw/zinc/67/41/17/691674117.db2.gz	DZFACDLZIQADND-NSHDSACASA-N	-1	3	361.623	2.141	20	30		FEEDHM
C=CC(C)(C)[N-]S(=O)(=O)c1c(C)nn2cc(Br)cnc12	ZINC000908466000	691684499	/nfs/dbraw/zinc/68/44/99/691684499.db2.gz	CBMRCMYYNYNNJO-UHFFFAOYSA-N	-1	3	359.249	2.043	20	30		FEEDHM
C=C(Cl)C[C@@H](NC(=O)[C@H]1CCCN(Cc2cccnc2)C1)C(=O)[O-]	ZINC000910264393	691908317	/nfs/dbraw/zinc/90/83/17/691908317.db2.gz	CHVVNOKODQVEOJ-LSDHHAIUSA-N	-1	3	351.834	2.006	20	30		FEEDHM
C#CCN(C)CCCNC(=O)N[C@@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1	ZINC000909037283	939372602	/nfs/dbraw/zinc/37/26/02/939372602.db2.gz	GKFPVHPJTMSBAO-CQSZACIVSA-N	-1	3	371.359	2.085	20	30		FEEDHM
O=C(C/C=C\c1ccc(Br)cc1)N[C@H]1CCCN([O-])C1=O	ZINC000820543935	675368697	/nfs/dbraw/zinc/36/86/97/675368697.db2.gz	BIDBGVPVWUXFQQ-MTMQSLQUSA-N	-1	3	353.216	2.349	20	30		FEEDHM
COc1ccc([C@H](C/N=C/c2ccc(O)c([O-])c2O)N2CCOCC2)cc1	ZINC000022728687	539697673	/nfs/dbraw/zinc/69/76/73/539697673.db2.gz	DAYNDADZIDSGFD-RHLNUJDMSA-N	-1	3	372.421	2.304	20	30		FEEDHM
N#CC(=C([O-])c1cccc(OCC(N)=O)c1)c1ccc(C(F)(F)F)cn1	ZINC000041552728	540024661	/nfs/dbraw/zinc/02/46/61/540024661.db2.gz	UDOSNBYKSXBDIX-ZDUSSCGKSA-N	-1	3	363.295	2.455	20	30		FEEDHM
N#CC(=C([O-])c1ccccc1OCC(N)=O)c1ccc(C(F)(F)F)cn1	ZINC000041553047	540024795	/nfs/dbraw/zinc/02/47/95/540024795.db2.gz	YYXXUJUEXZDPCY-LBPRGKRZSA-N	-1	3	363.295	2.455	20	30		FEEDHM
COC(=O)C1(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)CCC(C)CC1	ZINC000046823103	540272034	/nfs/dbraw/zinc/27/20/34/540272034.db2.gz	FRBWBJUJHNWNPD-UHFFFAOYSA-N	-1	3	373.453	2.034	20	30		FEEDHM
CC(=O)Nc1cccc(CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1	ZINC000046844543	540273219	/nfs/dbraw/zinc/27/32/19/540273219.db2.gz	LXMIDCBLCJQXAL-UHFFFAOYSA-N	-1	3	366.421	2.071	20	30		FEEDHM
CC(C)OC(=O)CC[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000055990426	540692495	/nfs/dbraw/zinc/69/24/95/540692495.db2.gz	JVRKJFQCECNGNH-UHFFFAOYSA-N	-1	3	364.345	2.197	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCN(CCC(C)(C)C)CC1	ZINC000056043078	540696483	/nfs/dbraw/zinc/69/64/83/540696483.db2.gz	WMTRQWHZEKFZNW-UHFFFAOYSA-N	-1	3	372.513	2.376	20	30		FEEDHM
N#Cc1ccc(-n2ccc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)n2)c(F)c1	ZINC000543958493	541690849	/nfs/dbraw/zinc/69/08/49/541690849.db2.gz	LHRKQIOHJNGNSR-UHFFFAOYSA-N	-1	3	368.284	2.144	20	30		FEEDHM
N#Cc1cc(NC(=O)CCn2[n-]c(=O)c3ccccc3c2=O)ccc1F	ZINC000076827081	542324640	/nfs/dbraw/zinc/32/46/40/542324640.db2.gz	DCONEGMFFZOCSR-UHFFFAOYSA-N	-1	3	352.325	2.142	20	30		FEEDHM
CC[C@@H](C#N)S(=O)(=O)[N-]c1ccccc1I	ZINC000088474185	542752390	/nfs/dbraw/zinc/75/23/90/542752390.db2.gz	VTZVHWHQJZQGRN-QMMMGPOBSA-N	-1	3	350.181	2.335	20	30		FEEDHM
COc1cc(F)cc(CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1	ZINC000094095988	542951009	/nfs/dbraw/zinc/95/10/09/542951009.db2.gz	UXSPOFHHMXPMPQ-UHFFFAOYSA-N	-1	3	357.385	2.260	20	30		FEEDHM
COC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccc(C#N)cc2F)s1	ZINC000105621267	543178827	/nfs/dbraw/zinc/17/88/27/543178827.db2.gz	QSOYSOSLIQLBFS-UHFFFAOYSA-N	-1	3	354.384	2.024	20	30		FEEDHM
N#Cc1ccc(SCC(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1	ZINC000110785868	543368211	/nfs/dbraw/zinc/36/82/11/543368211.db2.gz	XNCYTEQLDMIYSQ-UHFFFAOYSA-N	-1	3	350.407	2.147	20	30		FEEDHM
N#Cc1ccc(SCC(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1	ZINC000110785868	543368213	/nfs/dbraw/zinc/36/82/13/543368213.db2.gz	XNCYTEQLDMIYSQ-UHFFFAOYSA-N	-1	3	350.407	2.147	20	30		FEEDHM
C=CC[C@H](C)NC(=O)c1cc(C2CC2)nc2c1c(=O)[n-]c(=O)n2CC(C)C	ZINC000116859399	543618499	/nfs/dbraw/zinc/61/84/99/543618499.db2.gz	ZHNPECJVRPAGOG-LBPRGKRZSA-N	-1	3	370.453	2.313	20	30		FEEDHM
C=CC[C@H](C)NC(=O)c1c(C)oc2[n-]c(=O)n(-c3ccccc3)c(=O)c21	ZINC000116988015	543621198	/nfs/dbraw/zinc/62/11/98/543621198.db2.gz	UKQWFIDMUJKAER-NSHDSACASA-N	-1	3	353.378	2.275	20	30		FEEDHM
C=CCCS(=O)(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1	ZINC000120240463	543677581	/nfs/dbraw/zinc/67/75/81/543677581.db2.gz	XTZFJUDAANCGEO-UHFFFAOYSA-N	-1	3	364.464	2.220	20	30		FEEDHM
C[C@H]1CCCCN1CCC[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000124069509	543799807	/nfs/dbraw/zinc/79/98/07/543799807.db2.gz	OVLGSENKYGSSOP-LBPRGKRZSA-N	-1	3	357.426	2.379	20	30		FEEDHM
COc1ccc(S(=O)(=O)[N-][C@H](C#N)C2CCCCC2)c([N+](=O)[O-])c1	ZINC000128967004	544083019	/nfs/dbraw/zinc/08/30/19/544083019.db2.gz	RJDBDRJRPZUNQD-CYBMUJFWSA-N	-1	3	353.400	2.354	20	30		FEEDHM
Cc1nc(NC(=O)CCc2c(C)nc(C)[n-]c2=O)sc1SCC#N	ZINC000131293255	544183906	/nfs/dbraw/zinc/18/39/06/544183906.db2.gz	ZPMCHGCPUZUATF-UHFFFAOYSA-N	-1	3	363.468	2.339	20	30		FEEDHM
C[C@@H]1CCCN(C(C)(C)C[N-]S(=O)(=O)c2ccc(C#N)cc2F)C1	ZINC000151097174	544505021	/nfs/dbraw/zinc/50/50/21/544505021.db2.gz	QPIHPZBXMORLIS-CYBMUJFWSA-N	-1	3	353.463	2.486	20	30		FEEDHM
N#CCCCCS(=O)(=O)[N-][C@@H]1CCN(c2ccc(Cl)cc2)C1=O	ZINC000151510317	544550518	/nfs/dbraw/zinc/55/05/18/544550518.db2.gz	VGIYYZSXCVOVBB-CQSZACIVSA-N	-1	3	355.847	2.059	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)[C@@H](O)Cc1ccccc1	ZINC000180188243	327675498	/nfs/dbraw/zinc/67/54/98/327675498.db2.gz	GXAXVUSOLXCIRE-WBMJQRKESA-N	-1	3	364.854	2.482	20	30		FEEDHM
COC(=O)[C@H](C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)CC(C)C	ZINC000184923268	327889914	/nfs/dbraw/zinc/88/99/14/327889914.db2.gz	AULLSZQCLNGEGM-LBPRGKRZSA-N	-1	3	358.847	2.325	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)c1nnc2ccccn21	ZINC000186165357	327949619	/nfs/dbraw/zinc/94/96/19/327949619.db2.gz	GWFVOZJPSALYDX-JTQLQIEISA-N	-1	3	361.814	2.294	20	30		FEEDHM
Cc1cccc(C[C@@H](CO)[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)c1	ZINC000188388675	328083948	/nfs/dbraw/zinc/08/39/48/328083948.db2.gz	GHTCXZDUWQZRGX-INIZCTEOSA-N	-1	3	364.854	2.402	20	30		FEEDHM
C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)c1ccc(C#N)c([O-])c1	ZINC000188521747	328092485	/nfs/dbraw/zinc/09/24/85/328092485.db2.gz	ZJFATMVXLJCEPT-MRXNPFEDSA-N	-1	3	364.449	2.204	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(OC2COC2)cc1	ZINC000189576198	328156088	/nfs/dbraw/zinc/15/60/88/328156088.db2.gz	YZVHEJQGCMHQMX-UHFFFAOYSA-N	-1	3	367.405	2.212	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCCC[C@H]1n1cccn1	ZINC000080512677	325133919	/nfs/dbraw/zinc/13/39/19/325133919.db2.gz	CFHNIAVUSVYXQB-QZTJIDSGSA-N	-1	3	367.453	2.293	20	30		FEEDHM
Cc1nc(S(=O)(=O)[N-]C2CCC(Oc3ccccc3C#N)CC2)cn1C	ZINC000111366708	325717712	/nfs/dbraw/zinc/71/77/12/325717712.db2.gz	GOZCZGVTXCRVOK-UHFFFAOYSA-N	-1	3	374.466	2.269	20	30		FEEDHM
COC(=O)c1cccc(CC[N-]S(=O)(=O)c2ccc(F)cc2C#N)c1	ZINC000123868506	326443786	/nfs/dbraw/zinc/44/37/86/326443786.db2.gz	URGWCHUWVFQWFA-UHFFFAOYSA-N	-1	3	362.382	2.005	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)Cc1ccc(O)cc1	ZINC000152589851	326711131	/nfs/dbraw/zinc/71/11/31/326711131.db2.gz	NFHWHAJBSJZAAX-GFCCVEGCSA-N	-1	3	353.422	2.249	20	30		FEEDHM
N#Cc1cc(F)ccc1S(=O)(=O)[N-]Cc1cnn(-c2ccccc2)c1	ZINC000156309428	326825907	/nfs/dbraw/zinc/82/59/07/326825907.db2.gz	HZBFQGVPEWFMAH-UHFFFAOYSA-N	-1	3	356.382	2.362	20	30		FEEDHM
C[C@H](C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)Oc1ccccc1	ZINC000157562808	326868664	/nfs/dbraw/zinc/86/86/64/326868664.db2.gz	OEKXPIHPCQUCMW-GFCCVEGCSA-N	-1	3	361.379	2.212	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)C[C@@H](O)c1ccccc1	ZINC000161768466	327008642	/nfs/dbraw/zinc/00/86/42/327008642.db2.gz	WXDPXDCTSSRQTO-BFUOFWGJSA-N	-1	3	367.449	2.424	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)[C@@H](O)c1ccc(F)cc1	ZINC000161969808	327013745	/nfs/dbraw/zinc/01/37/45/327013745.db2.gz	AURIYQANUBRSJK-ORAYPTAESA-N	-1	3	371.412	2.173	20	30		FEEDHM
C[N-]S(=O)(=O)c1cc(C(=O)N(Cc2ccc(C#N)cc2)C2CC2)c(C)o1	ZINC000175500404	327396377	/nfs/dbraw/zinc/39/63/77/327396377.db2.gz	LQYBQMRTAFYKFC-UHFFFAOYSA-N	-1	3	373.434	2.173	20	30		FEEDHM
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc([O-])cc([N+](=O)[O-])c1	ZINC000269272597	329502639	/nfs/dbraw/zinc/50/26/39/329502639.db2.gz	HCRGIVLEELVDMN-UHFFFAOYSA-N	-1	3	368.393	2.376	20	30		FEEDHM
CC(C)(C)OC(=O)NCCCC[N-]S(=O)(=O)c1ccc(F)cc1C#N	ZINC000272966411	329826981	/nfs/dbraw/zinc/82/69/81/329826981.db2.gz	NXGVXQIYDODFAS-UHFFFAOYSA-N	-1	3	371.434	2.281	20	30		FEEDHM
C=C(C)CN(CC)C(=O)CN1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C	ZINC000805788779	674354360	/nfs/dbraw/zinc/35/43/60/674354360.db2.gz	TZAYVTGKNGTFNY-YDHLFZDLSA-N	-1	3	363.424	2.188	20	30		FEEDHM
Cc1nc([C@@H]([N-]S(=O)(=O)c2cccc(C)c2C#N)c2ccccc2)n[nH]1	ZINC000157141611	545705446	/nfs/dbraw/zinc/70/54/46/545705446.db2.gz	LCOJWTVHTSQAMD-KRWDZBQOSA-N	-1	3	367.434	2.361	20	30		FEEDHM
CC(=O)c1ccc(CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)nc1C	ZINC000158134638	545826488	/nfs/dbraw/zinc/82/64/88/545826488.db2.gz	RZIPIEXQOFNJRG-UHFFFAOYSA-N	-1	3	366.421	2.018	20	30		FEEDHM
COc1ccc(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)cc1O	ZINC000158849286	545900117	/nfs/dbraw/zinc/90/01/17/545900117.db2.gz	WVLLBRAWBDCRQT-UHFFFAOYSA-N	-1	3	352.799	2.404	20	30		FEEDHM
CNC(=O)COc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)c(C)c1	ZINC000478681085	561172642	/nfs/dbraw/zinc/17/26/42/561172642.db2.gz	WTPSWMCODLMEKY-UHFFFAOYSA-N	-1	3	373.434	2.101	20	30		FEEDHM
CC(C)(C)[C@H]1C[C@@H]([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CCO1	ZINC000479404167	561189022	/nfs/dbraw/zinc/18/90/22/561189022.db2.gz	DLKWQHYKBDEWNA-XHDPSFHLSA-N	-1	3	367.427	2.338	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@@H](C#N)C1CCCCC1	ZINC000176641527	546472161	/nfs/dbraw/zinc/47/21/61/546472161.db2.gz	IYFSLTXCXBFDSN-YPMHNXCESA-N	-1	3	355.485	2.004	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)NCc2ncccc2[O-])c(C(F)(F)F)c1	ZINC000480718237	561215249	/nfs/dbraw/zinc/21/52/49/561215249.db2.gz	CPVRASBQWIGYAI-UHFFFAOYSA-N	-1	3	357.313	2.156	20	30		FEEDHM
C=CCOc1ccccc1CNC(=O)NCc1nnc(C(F)(F)F)[n-]1	ZINC000483035162	561265515	/nfs/dbraw/zinc/26/55/15/561265515.db2.gz	IRTIQLRFRPLDEA-UHFFFAOYSA-N	-1	3	355.320	2.388	20	30		FEEDHM
C=CCOc1ccccc1CNC(=O)NCc1n[n-]c(C(F)(F)F)n1	ZINC000483035162	561265516	/nfs/dbraw/zinc/26/55/16/561265516.db2.gz	IRTIQLRFRPLDEA-UHFFFAOYSA-N	-1	3	355.320	2.388	20	30		FEEDHM
C=CCOc1ccccc1CNC(=O)NCc1nc(C(F)(F)F)n[n-]1	ZINC000483035162	561265517	/nfs/dbraw/zinc/26/55/17/561265517.db2.gz	IRTIQLRFRPLDEA-UHFFFAOYSA-N	-1	3	355.320	2.388	20	30		FEEDHM
COc1cccc(NC(=O)C(C#N)Cn2[n-]c(C(F)(F)F)cc2=O)c1	ZINC000181292767	547287900	/nfs/dbraw/zinc/28/79/00/547287900.db2.gz	GILBESQUNNHQBG-VIFPVBQESA-N	-1	3	354.288	2.395	20	30		FEEDHM
Cc1cc2c(cc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)OCO2	ZINC000181335661	547296198	/nfs/dbraw/zinc/29/61/98/547296198.db2.gz	VOJZWDUCZVJTRY-UHFFFAOYSA-N	-1	3	353.378	2.472	20	30		FEEDHM
N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H]1CCO[C@@H]1c1cccnc1	ZINC000483887901	561285836	/nfs/dbraw/zinc/28/58/36/561285836.db2.gz	QKYAZNSBWODDQP-GOEBONIOSA-N	-1	3	363.826	2.415	20	30		FEEDHM
N#Cc1ccccc1S(=O)(=O)[N-]c1c[nH]cc(Br)c1=O	ZINC000183104337	547602232	/nfs/dbraw/zinc/60/22/32/547602232.db2.gz	DOYRVVKIMZUJOK-UHFFFAOYSA-N	-1	3	354.185	2.222	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@]1(C#N)CCc2ccccc2C1	ZINC000183936868	547742363	/nfs/dbraw/zinc/74/23/63/547742363.db2.gz	NFINBWJUXRHRFZ-JOCHJYFZSA-N	-1	3	374.444	2.364	20	30		FEEDHM
N#Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccccc2OCCO)c1	ZINC000184911072	547898426	/nfs/dbraw/zinc/89/84/26/547898426.db2.gz	FMFKKSFADNXRRW-UHFFFAOYSA-N	-1	3	366.826	2.061	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)[C@H](O)Cc1ccccc1	ZINC000185327853	547971285	/nfs/dbraw/zinc/97/12/85/547971285.db2.gz	PUAMHYPVSPPNJU-BLLLJJGKSA-N	-1	3	364.854	2.482	20	30		FEEDHM
COC(=O)[C@@H](C)[C@@H]([N-]S(=O)(=O)c1cnc(C)c(C#N)c1)c1ccccc1	ZINC000489578107	561414638	/nfs/dbraw/zinc/41/46/38/561414638.db2.gz	AJXGVOIZTJJIPU-YVEFUNNKSA-N	-1	3	373.434	2.090	20	30		FEEDHM
CC(C)CCN(CCC#N)C(=O)CC[N-]S(=O)(=O)c1cccs1	ZINC000264009330	549967527	/nfs/dbraw/zinc/96/75/27/549967527.db2.gz	AFOJCSJCKCAWID-UHFFFAOYSA-N	-1	3	357.501	2.205	20	30		FEEDHM
C#CCOc1ccccc1OS(=O)(=O)c1c[n-]c(C(=O)N2CCCC2)c1	ZINC000264525279	549997250	/nfs/dbraw/zinc/99/72/50/549997250.db2.gz	NDJXZAYVCCGATD-UHFFFAOYSA-N	-1	3	374.418	2.030	20	30		FEEDHM
C=C(Cl)CNC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1C(F)(F)F	ZINC000265544566	550011638	/nfs/dbraw/zinc/01/16/38/550011638.db2.gz	PLZAIIAUFWOBMN-VIFPVBQESA-N	-1	3	370.780	2.241	20	30		FEEDHM
C#CCC[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Br	ZINC000267505093	550032291	/nfs/dbraw/zinc/03/22/91/550032291.db2.gz	ABAWYHVLPKITNS-UHFFFAOYSA-N	-1	3	352.637	2.413	20	30		FEEDHM
Cc1ccc(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)c([O-])c1O	ZINC000272662272	550463875	/nfs/dbraw/zinc/46/38/75/550463875.db2.gz	NEXFYNKVHZVWMY-UHFFFAOYSA-N	-1	3	351.406	2.236	20	30		FEEDHM
C#CCN(C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1)C1CC1	ZINC000274101640	550523071	/nfs/dbraw/zinc/52/30/71/550523071.db2.gz	WPTCLWGNQIOMAE-UHFFFAOYSA-N	-1	3	351.428	2.086	20	30		FEEDHM
CC(C)(CO)[C@@H](C[N-]S(=O)(=O)c1cccnc1C#N)c1ccccc1	ZINC000277154084	550637762	/nfs/dbraw/zinc/63/77/62/550637762.db2.gz	LDHDTNLATDCPGI-HNNXBMFYSA-N	-1	3	359.451	2.034	20	30		FEEDHM
CC1(C)CCCN(C(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)[C@H]1C#N	ZINC000277623071	550693244	/nfs/dbraw/zinc/69/32/44/550693244.db2.gz	WKKPVUFNIZOOEH-AWEZNQCLSA-N	-1	3	353.419	2.352	20	30		FEEDHM
C=CC[C@H](CC)[N-]S(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl	ZINC000281429395	551096245	/nfs/dbraw/zinc/09/62/45/551096245.db2.gz	GKAPEXSVQONVCW-JTQLQIEISA-N	-1	3	351.877	2.377	20	30		FEEDHM
CCOc1cc(CN(CCC#N)CCN2CCOCC2)cc(Cl)c1[O-]	ZINC000284330353	551525312	/nfs/dbraw/zinc/52/53/12/551525312.db2.gz	XBSXANYOXXYAMW-UHFFFAOYSA-N	-1	3	367.877	2.492	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]CC2CCN(Cc3ccccc3)CC2)o1	ZINC000286500174	551893386	/nfs/dbraw/zinc/89/33/86/551893386.db2.gz	DHUJUKZXYLPLOE-UHFFFAOYSA-N	-1	3	359.451	2.342	20	30		FEEDHM
N#Cc1c(Br)cccc1S(=O)(=O)[N-]C[C@@H]1CCSC1	ZINC000287614914	552025365	/nfs/dbraw/zinc/02/53/65/552025365.db2.gz	ZYEHORLPLZBESG-VIFPVBQESA-N	-1	3	361.286	2.352	20	30		FEEDHM
N#Cc1ccc(OCCN2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cc1	ZINC000289495633	552331126	/nfs/dbraw/zinc/33/11/26/552331126.db2.gz	PNUFCOSPPJYACO-CQSZACIVSA-N	-1	3	355.360	2.328	20	30		FEEDHM
CC(C)(C#N)CCN1C([O-])=Cc2cc(Br)ccc2S1(=O)=O	ZINC000289513485	552333914	/nfs/dbraw/zinc/33/39/14/552333914.db2.gz	LWZFCPYWWSQXOH-UHFFFAOYSA-N	-1	3	371.256	2.462	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-][C@@H](CO)C2CCCC2)c(C(F)(F)F)c1	ZINC000289595122	552346710	/nfs/dbraw/zinc/34/67/10/552346710.db2.gz	RDMAMRRXPKMIQL-ZDUSSCGKSA-N	-1	3	362.373	2.406	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1n[nH]c(C2CC2)c1C#N	ZINC000290374395	552468937	/nfs/dbraw/zinc/46/89/37/552468937.db2.gz	HCBTYFDLADJXQN-UHFFFAOYSA-N	-1	3	350.382	2.319	20	30		FEEDHM
C=C[C@](C)(CCOC)C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1	ZINC000291486044	552629419	/nfs/dbraw/zinc/62/94/19/552629419.db2.gz	SGBDSWVJZWWVLC-IUODEOHRSA-N	-1	3	350.381	2.132	20	30		FEEDHM
CC[C@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2ccc(C#N)c(F)c2)n[nH]1	ZINC000292589104	552740998	/nfs/dbraw/zinc/74/09/98/552740998.db2.gz	MJIWULLJAXQBKA-VHSXEESVSA-N	-1	3	351.407	2.368	20	30		FEEDHM
CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H]2CC[C@@H](CC#N)C2)c1	ZINC000295705873	553047832	/nfs/dbraw/zinc/04/78/32/553047832.db2.gz	KJIQMUBHNNRMTJ-AAEUAGOBSA-N	-1	3	354.403	2.363	20	30		FEEDHM
C[C@@H](CCO)CC[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000296367073	553148395	/nfs/dbraw/zinc/14/83/95/553148395.db2.gz	XEMSITBAQRVIRT-SNVBAGLBSA-N	-1	3	350.362	2.264	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-][C@@H](CO)c2ccc(F)cc2)c(Cl)c1	ZINC000503479769	561642370	/nfs/dbraw/zinc/64/23/70/561642370.db2.gz	SWSFZLRKAACNAI-AWEZNQCLSA-N	-1	3	354.790	2.363	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]Cc2cn3ccsc3n2)c(Cl)c1	ZINC000503870165	561649190	/nfs/dbraw/zinc/64/91/90/561649190.db2.gz	IWDDVKPHHCGKGP-UHFFFAOYSA-N	-1	3	352.828	2.399	20	30		FEEDHM
Cc1[n-][nH]c(=NC(=O)[C@H]2CN(Cc3ccccc3)C[C@@]23CCOC3)c1C#N	ZINC000602191797	553536396	/nfs/dbraw/zinc/53/63/96/553536396.db2.gz	ZWAXZNMSYNTEJR-YLJYHZDGSA-N	-1	3	365.437	2.067	20	30		FEEDHM
C=CCCc1ccccc1NC(=O)C[N-]S(=O)(=O)CCOC(C)C	ZINC000504270289	561655389	/nfs/dbraw/zinc/65/53/89/561655389.db2.gz	GRZZRJZLTWJRSA-UHFFFAOYSA-N	-1	3	354.472	2.088	20	30		FEEDHM
N#CCCCCNC(=O)c1sccc1S(=O)(=O)[N-]Cc1ccco1	ZINC000505535022	561673423	/nfs/dbraw/zinc/67/34/23/561673423.db2.gz	ZYXFQRSEILOENO-UHFFFAOYSA-N	-1	3	367.452	2.243	20	30		FEEDHM
CC(=O)N1CC[C@H](NC(=O)c2cc(=O)[n-]c(N(C)C)n2)c2ccccc21	ZINC000328710521	553810729	/nfs/dbraw/zinc/81/07/29/553810729.db2.gz	BSBOZHNBKJCSCA-ZDUSSCGKSA-N	-1	3	355.398	2.051	20	30		FEEDHM
CC(C)NC(=O)c1cnn2c1C[C@H](CNC(=O)c1csc(=O)[n-]1)CC2	ZINC000329098156	553880057	/nfs/dbraw/zinc/88/00/57/553880057.db2.gz	LVUNXYMYCRMCCJ-SNVBAGLBSA-N	-1	3	363.443	2.325	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC1	ZINC000329110794	553882144	/nfs/dbraw/zinc/88/21/44/553882144.db2.gz	JRDRIBIQDOWDEI-DRCTWCGVSA-N	-1	3	371.484	2.269	20	30		FEEDHM
CC(=O)Nc1ncc(S(=O)(=O)[N-]C2CCN(C3CCCC3)CC2)s1	ZINC000329311309	553923057	/nfs/dbraw/zinc/92/30/57/553923057.db2.gz	ZPPNSTDIUHHPMF-UHFFFAOYSA-N	-1	3	372.516	2.436	20	30		FEEDHM
Cc1nc(S(=O)(=O)[N-]CC(=O)NCCC2=CCCCCC2)cn1C	ZINC000329691971	553989963	/nfs/dbraw/zinc/98/99/63/553989963.db2.gz	DPVPIYTVRRMTQF-UHFFFAOYSA-N	-1	3	354.476	2.244	20	30		FEEDHM
COC(C)(C)C[C@H](C)NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1	ZINC000331231695	554234064	/nfs/dbraw/zinc/23/40/64/554234064.db2.gz	IMQMLSWWWVILLA-AWEZNQCLSA-N	-1	3	363.458	2.268	20	30		FEEDHM
CS(=O)(=O)[N-]c1ccc(C(=O)CN(C#N)c2ccc(F)c(C#N)c2)cc1	ZINC000509065757	561783534	/nfs/dbraw/zinc/78/35/34/561783534.db2.gz	MACPFQKRWBNIBG-UHFFFAOYSA-N	-1	3	372.381	2.239	20	30		FEEDHM
CCn1c(=O)[n-]c(=O)c2c(C(=O)N[C@@H]3CCC[C@H]3C#N)cc(C(C)C)nc21	ZINC000332001335	554360918	/nfs/dbraw/zinc/36/09/18/554360918.db2.gz	WFFIBBWZCIOIHF-WCQYABFASA-N	-1	3	369.425	2.062	20	30		FEEDHM
N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@@H]1CC12CCOCC2	ZINC000333141192	554578798	/nfs/dbraw/zinc/57/87/98/554578798.db2.gz	YTOQXDXVUOWVQJ-CYBMUJFWSA-N	-1	3	371.256	2.168	20	30		FEEDHM
COC(=O)c1cc(C(=O)[N-]c2ccn(-c3ccc(Cl)cc3C#N)n2)on1	ZINC000611904768	554699759	/nfs/dbraw/zinc/69/97/59/554699759.db2.gz	QIYVGYCWQUHPSP-UHFFFAOYSA-N	-1	3	371.740	2.424	20	30		FEEDHM
C[C@@]1(c2cccc(-c3noc(CCCCCC#N)n3)c2)NC(=O)[N-]C1=O	ZINC000350096220	554759821	/nfs/dbraw/zinc/75/98/21/554759821.db2.gz	DPSMUTDUCVCRSL-SFHVURJKSA-N	-1	3	353.382	2.418	20	30		FEEDHM
CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)[C@@]12CCCO2	ZINC000363975563	555225369	/nfs/dbraw/zinc/22/53/69/555225369.db2.gz	PGPDXGXMYORNSZ-XHSDSOJGSA-N	-1	3	370.858	2.217	20	30		FEEDHM
Cc1nc([C@@H]([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c2ccccc2)n[nH]1	ZINC000365538277	555602705	/nfs/dbraw/zinc/60/27/05/555602705.db2.gz	XTDKRKKFGYMOPS-KRWDZBQOSA-N	-1	3	367.434	2.361	20	30		FEEDHM
COc1ccc(Br)c(C[N-]S(=O)(=O)c2ccc(C#N)o2)c1	ZINC000514806922	561980871	/nfs/dbraw/zinc/98/08/71/561980871.db2.gz	PHCQGIIOTHGNNK-UHFFFAOYSA-N	-1	3	371.212	2.401	20	30		FEEDHM
N#Cc1ccc(CS(=O)(=O)[N-][C@H]2CCCN(c3ccccc3)C2=O)cc1	ZINC000367956917	556182202	/nfs/dbraw/zinc/18/22/02/556182202.db2.gz	HOWJHELRYDZCIO-SFHVURJKSA-N	-1	3	369.446	2.173	20	30		FEEDHM
N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H](CC(N)=O)c1ccccc1	ZINC000517223745	562080682	/nfs/dbraw/zinc/08/06/82/562080682.db2.gz	JXAUKWMQMMXEHL-AWEZNQCLSA-N	-1	3	363.826	2.107	20	30		FEEDHM
Cc1nnc([C@H]([N-]S(=O)(=O)c2ccccc2C#N)c2ccccc2)n1C	ZINC000372164227	557397284	/nfs/dbraw/zinc/39/72/84/557397284.db2.gz	TXKSMXFVOVGCEA-QGZVFWFLSA-N	-1	3	367.434	2.063	20	30		FEEDHM
CN1CC[C@H](C[N-]S(=O)(=O)c2ccc(C#N)o2)[C@@H]1c1cccs1	ZINC000376265101	558149601	/nfs/dbraw/zinc/14/96/01/558149601.db2.gz	KDKBSEZGSISDGC-IAQYHMDHSA-N	-1	3	351.453	2.184	20	30		FEEDHM
N#Cc1ncn(-c2ccccc2[N-]S(=O)(=O)CCc2cccs2)n1	ZINC000378020714	558464709	/nfs/dbraw/zinc/46/47/09/558464709.db2.gz	VWFHJEOKWOTPCG-UHFFFAOYSA-N	-1	3	359.436	2.185	20	30		FEEDHM
Cc1nc(CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c2n1CCCC2	ZINC000378296620	558522838	/nfs/dbraw/zinc/52/28/38/558522838.db2.gz	UXYQNJBPBJEQGP-UHFFFAOYSA-N	-1	3	367.453	2.366	20	30		FEEDHM
Cc1noc(C)c1S(=O)(=O)[N-]Cc1nc(-c2cccc(C#N)c2)c[nH]1	ZINC000378438493	558557564	/nfs/dbraw/zinc/55/75/64/558557564.db2.gz	JKAVYWUSBRILKM-UHFFFAOYSA-N	-1	3	357.395	2.032	20	30		FEEDHM
COc1ccc(Br)cc1S(=O)(=O)[N-]CC1(CC#N)CC1	ZINC000404517156	558631874	/nfs/dbraw/zinc/63/18/74/558631874.db2.gz	NGIYGUWIAHJVFE-UHFFFAOYSA-N	-1	3	359.245	2.430	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)CC1(C#N)CCCCC1)C(=O)N1CCCC[C@H]1C	ZINC000408229311	558659003	/nfs/dbraw/zinc/65/90/03/558659003.db2.gz	PRMIVNYNBOAEMW-HUUCEWRRSA-N	-1	3	355.504	2.169	20	30		FEEDHM
CCOC(=O)[C@@H](CCC(C)(C)C)[N-]S(=O)(=O)N(CC)C[C@@H](C)C#N	ZINC000409494334	558697325	/nfs/dbraw/zinc/69/73/25/558697325.db2.gz	DIIAMPZTBZGEPH-UONOGXRCSA-N	-1	3	361.508	2.060	20	30		FEEDHM
CC(=O)c1ccc(C(=O)N2CCN(c3snc(C)c3C#N)CC2)cc1[O-]	ZINC000412360018	559030682	/nfs/dbraw/zinc/03/06/82/559030682.db2.gz	GUPLDZHCUBGIBN-UHFFFAOYSA-N	-1	3	370.434	2.194	20	30		FEEDHM
Cc1nc(SCC(=O)N2CCc3nc[n-]c(=O)c3C2)c(C#N)c(C)c1C	ZINC000527008463	562273142	/nfs/dbraw/zinc/27/31/42/562273142.db2.gz	UETIXPRGAVJIFZ-UHFFFAOYSA-N	-1	3	369.450	2.051	20	30		FEEDHM
C[C@@H](C[N-]S(=O)(=O)c1cc(Br)ccc1C#N)C[C@H](C)O	ZINC000416457912	559314424	/nfs/dbraw/zinc/31/44/24/559314424.db2.gz	IGSICJOTCDKKEL-ZJUUUORDSA-N	-1	3	361.261	2.006	20	30		FEEDHM
CC(C)[C@@](C)(O)C[N-]S(=O)(=O)c1cc(Br)ccc1C#N	ZINC000416462625	559314923	/nfs/dbraw/zinc/31/49/23/559314923.db2.gz	RMSHRLHSQQZUTQ-ZDUSSCGKSA-N	-1	3	361.261	2.006	20	30		FEEDHM
CC(C)(C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C1(O)CCOCC1	ZINC000416666567	559328650	/nfs/dbraw/zinc/32/86/50/559328650.db2.gz	WBPMBSFHBMYDGL-UHFFFAOYSA-N	-1	3	372.874	2.058	20	30		FEEDHM
C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F	ZINC000420758581	559502877	/nfs/dbraw/zinc/50/28/77/559502877.db2.gz	VPHQNCYNOMGDNQ-MNOVXSKESA-N	-1	3	351.346	2.439	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-]CCNc1ncc(Cl)cc1Cl	ZINC000428371353	559773992	/nfs/dbraw/zinc/77/39/92/559773992.db2.gz	WBUJEYDJCOBHDD-UHFFFAOYSA-N	-1	3	372.237	2.045	20	30		FEEDHM
C=CCC(C)(C)C[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000432305697	559855994	/nfs/dbraw/zinc/85/59/94/559855994.db2.gz	JJNWDPOUIGOKPU-UHFFFAOYSA-N	-1	3	356.400	2.247	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]Cc2ccnc(N3CCCCC3)c2)s1	ZINC000435431472	559922836	/nfs/dbraw/zinc/92/28/36/559922836.db2.gz	DLEGMUGUMCKGRJ-UHFFFAOYSA-N	-1	3	362.480	2.484	20	30		FEEDHM
Cc1cc(CN2C(=O)c3ccccc3C2=O)cc(C(=O)N[C@H](C)C#N)c1[O-]	ZINC000436536601	559944748	/nfs/dbraw/zinc/94/47/48/559944748.db2.gz	DIYQJWCIGDWONU-GFCCVEGCSA-N	-1	3	363.373	2.139	20	30		FEEDHM
N#Cc1ccc(NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1F	ZINC000436942082	559957084	/nfs/dbraw/zinc/95/70/84/559957084.db2.gz	UECQKHZAJIBVRT-UHFFFAOYSA-N	-1	3	368.368	2.393	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]CCCO[C@H]2CCCCO2)c(Cl)c1	ZINC000439186332	559989566	/nfs/dbraw/zinc/98/95/66/559989566.db2.gz	BHGOBEDWFGKCGV-HNNXBMFYSA-N	-1	3	358.847	2.423	20	30		FEEDHM
C/C=C\C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C(=O)OCC	ZINC000440096003	560004721	/nfs/dbraw/zinc/00/47/21/560004721.db2.gz	YCVXLVPKTBAKGY-HSBHDXMMSA-N	-1	3	356.831	2.388	20	30		FEEDHM
C=CCCCNC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F	ZINC000441127382	560024797	/nfs/dbraw/zinc/02/47/97/560024797.db2.gz	BQZACWWRNLJUCR-UHFFFAOYSA-N	-1	3	363.842	2.023	20	30		FEEDHM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]Cc1nccc2ccccc21	ZINC000443014599	560066074	/nfs/dbraw/zinc/06/60/74/560066074.db2.gz	PIZWVGVZEAAWIA-UHFFFAOYSA-N	-1	3	368.374	2.493	20	30		FEEDHM
N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CCNC(=O)CC1CCCC1	ZINC000443051605	560068023	/nfs/dbraw/zinc/06/80/23/560068023.db2.gz	RBUFCQSWISTPFE-UHFFFAOYSA-N	-1	3	369.874	2.186	20	30		FEEDHM
C=CC[C@H](CO)CNC(=O)c1c[n-]c2ccc(Br)cc2c1=O	ZINC000444352943	560110983	/nfs/dbraw/zinc/11/09/83/560110983.db2.gz	QTWFZNIQEXNTIP-JTQLQIEISA-N	-1	3	365.227	2.205	20	30		FEEDHM
Cc1cc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)n(C2CCN(C)CC2)n1	ZINC000446787489	560151724	/nfs/dbraw/zinc/15/17/24/560151724.db2.gz	RRUOFXKIQXVSMW-UHFFFAOYSA-N	-1	3	373.482	2.439	20	30		FEEDHM
C=CCc1ccccc1OC[C@@H](O)CN1CCC[C@H](c2n[n-]c(=O)o2)C1	ZINC000450911305	560278116	/nfs/dbraw/zinc/27/81/16/560278116.db2.gz	WQZDNRMRBRDJJT-HOTGVXAUSA-N	-1	3	359.426	2.123	20	30		FEEDHM
C=CCc1ccccc1OC[C@H](O)CN1CCC[C@@H](c2n[n-]c(=O)o2)C1	ZINC000450911306	560278210	/nfs/dbraw/zinc/27/82/10/560278210.db2.gz	WQZDNRMRBRDJJT-HZPDHXFCSA-N	-1	3	359.426	2.123	20	30		FEEDHM
N#CCN1CCC(C[N-]S(=O)(=O)c2ccc3ccccc3c2F)CC1	ZINC000451315515	560299880	/nfs/dbraw/zinc/29/98/80/560299880.db2.gz	QVOJAXUEVCQEJB-UHFFFAOYSA-N	-1	3	361.442	2.493	20	30		FEEDHM
CC(C)[C@H](CO)[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)C(C)C	ZINC000451864096	560333116	/nfs/dbraw/zinc/33/31/16/560333116.db2.gz	WRSBUFNJTNQKGI-BBRMVZONSA-N	-1	3	369.443	2.034	20	30		FEEDHM
C=C(C)CCNC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1C(F)(F)F	ZINC000452727281	560372289	/nfs/dbraw/zinc/37/22/89/560372289.db2.gz	XXVWSTXYZUZYKV-NSHDSACASA-N	-1	3	364.389	2.455	20	30		FEEDHM
C=CC(C)(C)CNC(=O)[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(C)C	ZINC000452773637	560373685	/nfs/dbraw/zinc/37/36/85/560373685.db2.gz	BKDDNMHLCLEXHO-HNNXBMFYSA-N	-1	3	356.463	2.457	20	30		FEEDHM
N#Cc1cccc([N+](=O)[O-])c1CN1CCN(C(=O)c2cccc([O-])c2)CC1	ZINC000459369968	560682741	/nfs/dbraw/zinc/68/27/41/560682741.db2.gz	FUIJAOHZOLZRPI-UHFFFAOYSA-N	-1	3	366.377	2.130	20	30		FEEDHM
CC(C)[C@@H](C#N)NC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1	ZINC000472565497	561029334	/nfs/dbraw/zinc/02/93/34/561029334.db2.gz	OIZRMRNGCPCBQZ-GFCCVEGCSA-N	-1	3	363.361	2.355	20	30		FEEDHM
C=C(C)COCCNC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1	ZINC000474358603	561071959	/nfs/dbraw/zinc/07/19/59/561071959.db2.gz	SSINAXLPDGWNRR-UHFFFAOYSA-N	-1	3	371.459	2.171	20	30		FEEDHM
Cn1ncc(C(=O)[N-]c2n[nH]c(-c3ccc(Br)cc3)n2)c1C#N	ZINC000475314462	561094673	/nfs/dbraw/zinc/09/46/73/561094673.db2.gz	QVKSEDYTLIVALX-UHFFFAOYSA-N	-1	3	372.186	2.092	20	30		FEEDHM
Cc1nc(-c2ccc(C[N-]S(=O)(=O)c3ccc(C#N)nc3)o2)cs1	ZINC000477122448	561137103	/nfs/dbraw/zinc/13/71/03/561137103.db2.gz	ICZKALVZZGLTGI-UHFFFAOYSA-N	-1	3	360.420	2.457	20	30		FEEDHM
C=C(C)COCC[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2	ZINC000531885536	562460096	/nfs/dbraw/zinc/46/00/96/562460096.db2.gz	PHTSHCMXKBJIFC-UHFFFAOYSA-N	-1	3	358.847	2.096	20	30		FEEDHM
CCC[C@@H](C#N)[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1	ZINC000533550011	562512594	/nfs/dbraw/zinc/51/25/94/562512594.db2.gz	QLKZDKJLLDDGTG-VIFPVBQESA-N	-1	3	362.205	2.328	20	30		FEEDHM
COC(=O)c1cccc(CSc2[n-]c(=O)nc(C)c2C(=O)OC)c1C#N	ZINC000534429629	562534091	/nfs/dbraw/zinc/53/40/91/562534091.db2.gz	MCESOVIEDAQKQM-UHFFFAOYSA-N	-1	3	373.390	2.228	20	30		FEEDHM
COc1cc(C(=O)/C=C/c2ccc(F)c(S(N)(=O)=O)c2)ccc1[O-]	ZINC000806567727	674381281	/nfs/dbraw/zinc/38/12/81/674381281.db2.gz	KOVXUKVZHNHVGR-ZZXKWVIFSA-N	-1	3	351.355	2.083	20	30		FEEDHM
Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1Cc1ccc(OCC#N)cc1	ZINC000737525610	598828340	/nfs/dbraw/zinc/82/83/40/598828340.db2.gz	UVIUEOCHGJVJCF-UHFFFAOYSA-N	-1	3	372.392	2.384	20	30		FEEDHM
Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1Cc1ccc(OCC#N)cc1	ZINC000737525610	598828342	/nfs/dbraw/zinc/82/83/42/598828342.db2.gz	UVIUEOCHGJVJCF-UHFFFAOYSA-N	-1	3	372.392	2.384	20	30		FEEDHM
N#CCCN(c1ccccc1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F	ZINC000737695989	598845564	/nfs/dbraw/zinc/84/55/64/598845564.db2.gz	YMRGOLKWFYVDBH-UHFFFAOYSA-N	-1	3	372.385	2.115	20	30		FEEDHM
N#CCCN(c1ccccc1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F	ZINC000737695989	598845566	/nfs/dbraw/zinc/84/55/66/598845566.db2.gz	YMRGOLKWFYVDBH-UHFFFAOYSA-N	-1	3	372.385	2.115	20	30		FEEDHM
Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CN(CC#N)C1CCCC1	ZINC000737524613	598853336	/nfs/dbraw/zinc/85/33/36/598853336.db2.gz	OMXVUIKMSHRFTO-UHFFFAOYSA-N	-1	3	363.429	2.159	20	30		FEEDHM
Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CN(CC#N)C1CCCC1	ZINC000737524613	598853337	/nfs/dbraw/zinc/85/33/37/598853337.db2.gz	OMXVUIKMSHRFTO-UHFFFAOYSA-N	-1	3	363.429	2.159	20	30		FEEDHM
C[C@H](CC#N)OC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1	ZINC000735975109	598858041	/nfs/dbraw/zinc/85/80/41/598858041.db2.gz	MWYXWVOMFYHLDF-LLVKDONJSA-N	-1	3	353.338	2.498	20	30		FEEDHM
CC(=O)Nc1ccc(F)c(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c1	ZINC000735489320	598913215	/nfs/dbraw/zinc/91/32/15/598913215.db2.gz	VZQCYRXQPOFRLU-UHFFFAOYSA-N	-1	3	365.328	2.088	20	30		FEEDHM
CC(=O)Nc1ccc(F)c(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c1	ZINC000735489320	598913217	/nfs/dbraw/zinc/91/32/17/598913217.db2.gz	VZQCYRXQPOFRLU-UHFFFAOYSA-N	-1	3	365.328	2.088	20	30		FEEDHM
CN(CCC#N)C(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1	ZINC000736792886	598932937	/nfs/dbraw/zinc/93/29/37/598932937.db2.gz	UCBHWPDWKSUHDM-UHFFFAOYSA-N	-1	3	362.393	2.431	20	30		FEEDHM
CN(CCC#N)C(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1	ZINC000736792886	598932939	/nfs/dbraw/zinc/93/29/39/598932939.db2.gz	UCBHWPDWKSUHDM-UHFFFAOYSA-N	-1	3	362.393	2.431	20	30		FEEDHM
Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N[C@@H](C)c1ccc(C#N)cc1	ZINC000737298382	598951945	/nfs/dbraw/zinc/95/19/45/598951945.db2.gz	IVWMAYSPQPXBMM-LBPRGKRZSA-N	-1	3	368.422	2.086	20	30		FEEDHM
Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N[C@@H](C)c1ccc(C#N)cc1	ZINC000737298382	598951946	/nfs/dbraw/zinc/95/19/46/598951946.db2.gz	IVWMAYSPQPXBMM-LBPRGKRZSA-N	-1	3	368.422	2.086	20	30		FEEDHM
C[C@H](CC#N)NC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1	ZINC000735963109	599026299	/nfs/dbraw/zinc/02/62/99/599026299.db2.gz	AJGYBKNQPSGQIN-CYBMUJFWSA-N	-1	3	362.393	2.478	20	30		FEEDHM
COc1ccc(C=CC(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1-c1nnn[n-]1	ZINC000737082477	599156391	/nfs/dbraw/zinc/15/63/91/599156391.db2.gz	VRNKKVHMGNLAED-QHHAFSJGSA-N	-1	3	362.349	2.353	20	30		FEEDHM
COc1ccc(C=CC(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1-c1nn[n-]n1	ZINC000737082477	599156394	/nfs/dbraw/zinc/15/63/94/599156394.db2.gz	VRNKKVHMGNLAED-QHHAFSJGSA-N	-1	3	362.349	2.353	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1nc(C)ncc1Cl	ZINC000735418617	599184076	/nfs/dbraw/zinc/18/40/76/599184076.db2.gz	HQBYLKLSOQFGDN-UHFFFAOYSA-N	-1	3	369.816	2.447	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1nc(C)ncc1Cl	ZINC000735418617	599184078	/nfs/dbraw/zinc/18/40/78/599184078.db2.gz	HQBYLKLSOQFGDN-UHFFFAOYSA-N	-1	3	369.816	2.447	20	30		FEEDHM
N#Cc1cc(NC(=O)C[C@@H]2OCCc3ccccc32)ccc1-c1nnn[n-]1	ZINC000737702999	599198319	/nfs/dbraw/zinc/19/83/19/599198319.db2.gz	ABTWGBXTHHWJGS-KRWDZBQOSA-N	-1	3	360.377	2.381	20	30		FEEDHM
N#Cc1cc(NC(=O)C[C@@H]2OCCc3ccccc32)ccc1-c1nn[n-]n1	ZINC000737702999	599198321	/nfs/dbraw/zinc/19/83/21/599198321.db2.gz	ABTWGBXTHHWJGS-KRWDZBQOSA-N	-1	3	360.377	2.381	20	30		FEEDHM
COc1cc(C#N)ccc1OC(=O)c1ncc(-c2nnn[n-]2)cc1Cl	ZINC000821703065	607263000	/nfs/dbraw/zinc/26/30/00/607263000.db2.gz	NECXVUOFRXVQBC-UHFFFAOYSA-N	-1	3	356.729	2.015	20	30		FEEDHM
COc1cc(C#N)ccc1OC(=O)c1ncc(-c2nn[n-]n2)cc1Cl	ZINC000821703065	607263001	/nfs/dbraw/zinc/26/30/01/607263001.db2.gz	NECXVUOFRXVQBC-UHFFFAOYSA-N	-1	3	356.729	2.015	20	30		FEEDHM
CN(CCC#N)CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2	ZINC000736790068	599241032	/nfs/dbraw/zinc/24/10/32/599241032.db2.gz	FQGPHWJVQVKRSS-UHFFFAOYSA-N	-1	3	373.486	2.371	20	30		FEEDHM
CN(CCC#N)CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2	ZINC000736790068	599241035	/nfs/dbraw/zinc/24/10/35/599241035.db2.gz	FQGPHWJVQVKRSS-UHFFFAOYSA-N	-1	3	373.486	2.371	20	30		FEEDHM
N#CC(C(=O)CSCC(=O)[O-])C(=O)Nc1cc(Cl)cc(Cl)c1	ZINC000740303857	597106298	/nfs/dbraw/zinc/10/62/98/597106298.db2.gz	MZOGRBMXYDMSJH-JTQLQIEISA-N	-1	3	361.206	2.459	20	30		FEEDHM
C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N(CCC#N)CC(C)(C)C	ZINC000736181227	598242539	/nfs/dbraw/zinc/24/25/39/598242539.db2.gz	KRDWAJGYRJCQBW-ZDUSSCGKSA-N	-1	3	356.430	2.422	20	30		FEEDHM
C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N(CCC#N)CC(C)(C)C	ZINC000736181227	598242541	/nfs/dbraw/zinc/24/25/41/598242541.db2.gz	KRDWAJGYRJCQBW-ZDUSSCGKSA-N	-1	3	356.430	2.422	20	30		FEEDHM
O=C(OCC#Cc1ccc(F)cc1)c1c(F)cc(-c2nnn[n-]2)cc1F	ZINC000823396482	607353233	/nfs/dbraw/zinc/35/32/33/607353233.db2.gz	KLVGXPLZSPOFHZ-UHFFFAOYSA-N	-1	3	358.279	2.493	20	30		FEEDHM
O=C(OCC#Cc1ccc(F)cc1)c1c(F)cc(-c2nn[n-]n2)cc1F	ZINC000823396482	607353234	/nfs/dbraw/zinc/35/32/34/607353234.db2.gz	KLVGXPLZSPOFHZ-UHFFFAOYSA-N	-1	3	358.279	2.493	20	30		FEEDHM
NC(=NOCCOc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)cc1	ZINC000737732117	598472223	/nfs/dbraw/zinc/47/22/23/598472223.db2.gz	WBBTVCLCHQSKPO-UHFFFAOYSA-N	-1	3	358.789	2.236	20	30		FEEDHM
N#C[C@@H](NC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1)C1CC1	ZINC000737674268	598536650	/nfs/dbraw/zinc/53/66/50/598536650.db2.gz	HZVFAXVUEUSZGG-GOSISDBHSA-N	-1	3	374.404	2.478	20	30		FEEDHM
N#C[C@@H](NC(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1)C1CC1	ZINC000737674268	598536653	/nfs/dbraw/zinc/53/66/53/598536653.db2.gz	HZVFAXVUEUSZGG-GOSISDBHSA-N	-1	3	374.404	2.478	20	30		FEEDHM
N#CCc1ccc(NC(=O)COc2ccc(-c3nnn[n-]3)c(F)c2)cc1	ZINC000737697040	598549175	/nfs/dbraw/zinc/54/91/75/598549175.db2.gz	BUMINNQVSDLUCG-UHFFFAOYSA-N	-1	3	352.329	2.089	20	30		FEEDHM
N#CCc1ccc(NC(=O)COc2ccc(-c3nn[n-]n3)c(F)c2)cc1	ZINC000737697040	598549176	/nfs/dbraw/zinc/54/91/76/598549176.db2.gz	BUMINNQVSDLUCG-UHFFFAOYSA-N	-1	3	352.329	2.089	20	30		FEEDHM
C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1	ZINC000736170460	598588617	/nfs/dbraw/zinc/58/86/17/598588617.db2.gz	UTVOCBTVYSKQNA-JTQLQIEISA-N	-1	3	352.329	2.283	20	30		FEEDHM
C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1	ZINC000736170460	598588619	/nfs/dbraw/zinc/58/86/19/598588619.db2.gz	UTVOCBTVYSKQNA-JTQLQIEISA-N	-1	3	352.329	2.283	20	30		FEEDHM
CC(C)[C@H](C#N)NC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1	ZINC000735690055	598625167	/nfs/dbraw/zinc/62/51/67/598625167.db2.gz	FTKJDOHLZMLTHV-AWEZNQCLSA-N	-1	3	366.381	2.317	20	30		FEEDHM
CC(C)[C@H](C#N)NC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1	ZINC000735690055	598625169	/nfs/dbraw/zinc/62/51/69/598625169.db2.gz	FTKJDOHLZMLTHV-AWEZNQCLSA-N	-1	3	366.381	2.317	20	30		FEEDHM
C[C@H](Oc1ccc(C#N)cc1)C(=O)OCc1ccc(F)cc1-c1nnn[n-]1	ZINC000736170800	598704162	/nfs/dbraw/zinc/70/41/62/598704162.db2.gz	XBKQNMLOEFSYPL-NSHDSACASA-N	-1	3	367.340	2.388	20	30		FEEDHM
C[C@H](Oc1ccc(C#N)cc1)C(=O)OCc1ccc(F)cc1-c1nn[n-]n1	ZINC000736170800	598704163	/nfs/dbraw/zinc/70/41/63/598704163.db2.gz	XBKQNMLOEFSYPL-NSHDSACASA-N	-1	3	367.340	2.388	20	30		FEEDHM
CC(C)CN(CCC#N)S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1	ZINC000735827516	598723823	/nfs/dbraw/zinc/72/38/23/598723823.db2.gz	ODRYOYXHNMGKGG-UHFFFAOYSA-N	-1	3	368.850	2.080	20	30		FEEDHM
CC(C)CN(CCC#N)S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1	ZINC000735827516	598723824	/nfs/dbraw/zinc/72/38/24/598723824.db2.gz	ODRYOYXHNMGKGG-UHFFFAOYSA-N	-1	3	368.850	2.080	20	30		FEEDHM
N#CCOc1ccc(CC(=O)OCc2cc(-c3nnn[n-]3)ccc2F)cc1	ZINC000737694884	598724517	/nfs/dbraw/zinc/72/45/17/598724517.db2.gz	GEUGIQXRKVDXKF-UHFFFAOYSA-N	-1	3	367.340	2.194	20	30		FEEDHM
N#CCOc1ccc(CC(=O)OCc2cc(-c3nn[n-]n3)ccc2F)cc1	ZINC000737694884	598724519	/nfs/dbraw/zinc/72/45/19/598724519.db2.gz	GEUGIQXRKVDXKF-UHFFFAOYSA-N	-1	3	367.340	2.194	20	30		FEEDHM
N#CCOc1ccc(CC(=O)OCc2ccc(-c3nnn[n-]3)cc2F)cc1	ZINC000737696424	598725225	/nfs/dbraw/zinc/72/52/25/598725225.db2.gz	QZDHHMISLYBVHC-UHFFFAOYSA-N	-1	3	367.340	2.194	20	30		FEEDHM
N#CCOc1ccc(CC(=O)OCc2ccc(-c3nn[n-]n3)cc2F)cc1	ZINC000737696424	598725226	/nfs/dbraw/zinc/72/52/26/598725226.db2.gz	QZDHHMISLYBVHC-UHFFFAOYSA-N	-1	3	367.340	2.194	20	30		FEEDHM
N#CCN1CCC(Nc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)CC1	ZINC000737696547	598774130	/nfs/dbraw/zinc/77/41/30/598774130.db2.gz	SCYGZKSHBDVUGM-UHFFFAOYSA-N	-1	3	370.367	2.093	20	30		FEEDHM
N#CCN1CCC(Nc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)CC1	ZINC000737696547	598774131	/nfs/dbraw/zinc/77/41/31/598774131.db2.gz	SCYGZKSHBDVUGM-UHFFFAOYSA-N	-1	3	370.367	2.093	20	30		FEEDHM
N#CCCCCNC(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1	ZINC000737688432	598778026	/nfs/dbraw/zinc/77/80/26/598778026.db2.gz	UDCRWPODBSJAAV-UHFFFAOYSA-N	-1	3	369.429	2.113	20	30		FEEDHM
C=CCN(CC=C)C(=O)CNc1ccc(OC(C)C)c(-c2nnn[n-]2)c1	ZINC000819739641	607371593	/nfs/dbraw/zinc/37/15/93/607371593.db2.gz	BIJUFBFLMUCWRT-UHFFFAOYSA-N	-1	3	356.430	2.266	20	30		FEEDHM
C=CCN(CC=C)C(=O)CNc1ccc(OC(C)C)c(-c2nn[n-]n2)c1	ZINC000819739641	607371594	/nfs/dbraw/zinc/37/15/94/607371594.db2.gz	BIJUFBFLMUCWRT-UHFFFAOYSA-N	-1	3	356.430	2.266	20	30		FEEDHM
COC(=O)[C@@H](N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccc(C#N)cc1	ZINC000821641167	599391780	/nfs/dbraw/zinc/39/17/80/599391780.db2.gz	XGITYVFAPCFWGZ-SJCJKPOMSA-N	-1	3	362.393	2.303	20	30		FEEDHM
COC(=O)[C@@H](N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccc(C#N)cc1	ZINC000821641167	599391783	/nfs/dbraw/zinc/39/17/83/599391783.db2.gz	XGITYVFAPCFWGZ-SJCJKPOMSA-N	-1	3	362.393	2.303	20	30		FEEDHM
CC(C)Oc1ccc(NCC(=O)N[C@@](C)(C#N)C(C)C)cc1-c1nnn[n-]1	ZINC000820174189	607374280	/nfs/dbraw/zinc/37/42/80/607374280.db2.gz	OWZIRBIWEDNKFA-SFHVURJKSA-N	-1	3	371.445	2.120	20	30		FEEDHM
CC(C)Oc1ccc(NCC(=O)N[C@@](C)(C#N)C(C)C)cc1-c1nn[n-]n1	ZINC000820174189	607374281	/nfs/dbraw/zinc/37/42/81/607374281.db2.gz	OWZIRBIWEDNKFA-SFHVURJKSA-N	-1	3	371.445	2.120	20	30		FEEDHM
CC(C)Oc1ccc(NCC(=O)N[C@](C)(C#N)C(C)C)cc1-c1nnn[n-]1	ZINC000820174187	607374378	/nfs/dbraw/zinc/37/43/78/607374378.db2.gz	OWZIRBIWEDNKFA-GOSISDBHSA-N	-1	3	371.445	2.120	20	30		FEEDHM
CC(C)Oc1ccc(NCC(=O)N[C@](C)(C#N)C(C)C)cc1-c1nn[n-]n1	ZINC000820174187	607374379	/nfs/dbraw/zinc/37/43/79/607374379.db2.gz	OWZIRBIWEDNKFA-GOSISDBHSA-N	-1	3	371.445	2.120	20	30		FEEDHM
C[C@@H](OC(=O)C1(C#N)CCCCC1)C(=O)Nc1ccccc1-c1nnn[n-]1	ZINC000820487440	599658516	/nfs/dbraw/zinc/65/85/16/599658516.db2.gz	GRNZJTHCUHUDFI-GFCCVEGCSA-N	-1	3	368.397	2.211	20	30		FEEDHM
C[C@@H](OC(=O)C1(C#N)CCCCC1)C(=O)Nc1ccccc1-c1nn[n-]n1	ZINC000820487440	599658517	/nfs/dbraw/zinc/65/85/17/599658517.db2.gz	GRNZJTHCUHUDFI-GFCCVEGCSA-N	-1	3	368.397	2.211	20	30		FEEDHM
C[C@@H](OC(=O)C1(C#N)CCCCC1)C(=O)Nc1cccc(-c2nnn[n-]2)c1	ZINC000820486390	599658762	/nfs/dbraw/zinc/65/87/62/599658762.db2.gz	BBWFNBGRNPLGPH-GFCCVEGCSA-N	-1	3	368.397	2.211	20	30		FEEDHM
C[C@@H](OC(=O)C1(C#N)CCCCC1)C(=O)Nc1cccc(-c2nn[n-]n2)c1	ZINC000820486390	599658763	/nfs/dbraw/zinc/65/87/63/599658763.db2.gz	BBWFNBGRNPLGPH-GFCCVEGCSA-N	-1	3	368.397	2.211	20	30		FEEDHM
C[C@H](C(=O)[O-])[C@H](NCC(=O)NCc1cccc(C#N)c1)c1ccccc1	ZINC000826055246	601656791	/nfs/dbraw/zinc/65/67/91/601656791.db2.gz	XIXYKHXYURTCGO-LIRRHRJNSA-N	-1	3	351.406	2.226	20	30		FEEDHM
C[C@H](C(=O)[O-])[C@@H](NCC(=O)NCc1cccc(C#N)c1)c1ccccc1	ZINC000826055244	601656959	/nfs/dbraw/zinc/65/69/59/601656959.db2.gz	XIXYKHXYURTCGO-IFXJQAMLSA-N	-1	3	351.406	2.226	20	30		FEEDHM
CN(C(=O)CN(C1CC1)C1CCN(C(=O)[O-])CC1)C1(C#N)CCCCC1	ZINC000739571306	601930962	/nfs/dbraw/zinc/93/09/62/601930962.db2.gz	DZMHYZJSSOAWRA-UHFFFAOYSA-N	-1	3	362.474	2.278	20	30		FEEDHM
C#Cc1cccc(N(CC)S(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)c1	ZINC000823861562	607535129	/nfs/dbraw/zinc/53/51/29/607535129.db2.gz	NMGGPOTXDVUAGS-UHFFFAOYSA-N	-1	3	367.434	2.372	20	30		FEEDHM
C#Cc1cccc(N(CC)S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)c1	ZINC000823861562	607535131	/nfs/dbraw/zinc/53/51/31/607535131.db2.gz	NMGGPOTXDVUAGS-UHFFFAOYSA-N	-1	3	367.434	2.372	20	30		FEEDHM
CCc1nnc(NCc2ccc(OC)c(-c3nnn[n-]3)c2)c(C#N)c1CC	ZINC000825771383	607557365	/nfs/dbraw/zinc/55/73/65/607557365.db2.gz	KRRJHFSBXNEDJT-UHFFFAOYSA-N	-1	3	364.413	2.274	20	30		FEEDHM
CCc1nnc(NCc2ccc(OC)c(-c3nn[n-]n3)c2)c(C#N)c1CC	ZINC000825771383	607557367	/nfs/dbraw/zinc/55/73/67/607557367.db2.gz	KRRJHFSBXNEDJT-UHFFFAOYSA-N	-1	3	364.413	2.274	20	30		FEEDHM
COc1ccc(CNc2c(C#N)nnc3ccccc32)cc1-c1nnn[n-]1	ZINC000826203531	607559486	/nfs/dbraw/zinc/55/94/86/607559486.db2.gz	SSSSXZJOGCHZLL-UHFFFAOYSA-N	-1	3	358.365	2.302	20	30		FEEDHM
COc1ccc(CNc2c(C#N)nnc3ccccc32)cc1-c1nn[n-]n1	ZINC000826203531	607559488	/nfs/dbraw/zinc/55/94/88/607559488.db2.gz	SSSSXZJOGCHZLL-UHFFFAOYSA-N	-1	3	358.365	2.302	20	30		FEEDHM
C=CCN1CCC(NC(=O)N[C@@H](CNC(=O)[O-])C2CCCCC2)CC1	ZINC000738490944	602629024	/nfs/dbraw/zinc/62/90/24/602629024.db2.gz	CWJUHHAVZWAACS-INIZCTEOSA-N	-1	3	352.479	2.153	20	30		FEEDHM
C=CCN1CCC(NC(=O)N2CCC[C@H]([C@H]3CCCN3C(=O)[O-])C2)CC1	ZINC000738491168	602715303	/nfs/dbraw/zinc/71/53/03/602715303.db2.gz	GWKXTUILZDLGDW-DOTOQJQBSA-N	-1	3	364.490	2.201	20	30		FEEDHM
C=C(C)CN1CCC(NC(=O)N2CCC([C@H](C)NC(=O)[O-])CC2)CC1	ZINC000738485707	602715351	/nfs/dbraw/zinc/71/53/51/602715351.db2.gz	OYFCBKAKNDLIJI-AWEZNQCLSA-N	-1	3	352.479	2.105	20	30		FEEDHM
COc1ccccc1NC(=O)C(C#N)C(=O)[C@H]1CCC[C@@H](NC(=O)[O-])C1	ZINC000829637877	604222100	/nfs/dbraw/zinc/22/21/00/604222100.db2.gz	IPSCCZUUFYGENR-YNEHKIRRSA-N	-1	3	359.382	2.169	20	30		FEEDHM
CC[C@@](NCCS(=O)(=O)c1cccc(C#N)c1)(C(=O)[O-])c1ccccc1	ZINC000833644779	604481800	/nfs/dbraw/zinc/48/18/00/604481800.db2.gz	RPDZJVNNLRQSFI-IBGZPJMESA-N	-1	3	372.446	2.312	20	30		FEEDHM
O=[N+]([O-])c1ccc(N=NCc2cc(-c3nnn[n-]3)cs2)c([N+](=O)[O-])c1	ZINC000823640131	606202791	/nfs/dbraw/zinc/20/27/91/606202791.db2.gz	UUDGJEWLMDYFIU-UHFFFAOYSA-N	-1	3	360.315	2.191	20	30		FEEDHM
O=[N+]([O-])c1ccc(N=NCc2cc(-c3nn[n-]n3)cs2)c([N+](=O)[O-])c1	ZINC000823640131	606202794	/nfs/dbraw/zinc/20/27/94/606202794.db2.gz	UUDGJEWLMDYFIU-UHFFFAOYSA-N	-1	3	360.315	2.191	20	30		FEEDHM
CN(N=Cc1cc(-c2nnn[n-]2)cs1)C(=S)NCc1ccccc1	ZINC000821619019	606203695	/nfs/dbraw/zinc/20/36/95/606203695.db2.gz	GDSDSLYMTADELQ-UHFFFAOYSA-N	-1	3	357.468	2.269	20	30		FEEDHM
CN(N=Cc1cc(-c2nn[n-]n2)cs1)C(=S)NCc1ccccc1	ZINC000821619019	606203697	/nfs/dbraw/zinc/20/36/97/606203697.db2.gz	GDSDSLYMTADELQ-UHFFFAOYSA-N	-1	3	357.468	2.269	20	30		FEEDHM
Cc1sc2ncn(N=Cc3cc(-c4nnn[n-]4)cs3)c(=O)c2c1C	ZINC000822563758	606204274	/nfs/dbraw/zinc/20/42/74/606204274.db2.gz	NOXNVTMPJNYTEX-UHFFFAOYSA-N	-1	3	357.424	2.199	20	30		FEEDHM
Cc1sc2ncn(N=Cc3cc(-c4nn[n-]n4)cs3)c(=O)c2c1C	ZINC000822563758	606204276	/nfs/dbraw/zinc/20/42/76/606204276.db2.gz	NOXNVTMPJNYTEX-UHFFFAOYSA-N	-1	3	357.424	2.199	20	30		FEEDHM
Cn1cc(-c2nnn[n-]2)cc1C(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000822637866	606218575	/nfs/dbraw/zinc/21/85/75/606218575.db2.gz	URAHWSNYNYXYSD-UHFFFAOYSA-N	-1	3	374.326	2.006	20	30		FEEDHM
Cn1cc(-c2nn[n-]n2)cc1C(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000822637866	606218576	/nfs/dbraw/zinc/21/85/76/606218576.db2.gz	URAHWSNYNYXYSD-UHFFFAOYSA-N	-1	3	374.326	2.006	20	30		FEEDHM
CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@H]1CCC[C@H]1C#N	ZINC000820032480	606300605	/nfs/dbraw/zinc/30/06/05/606300605.db2.gz	OAGAYBLMDOCLOO-NOLJZWGESA-N	-1	3	354.414	2.079	20	30		FEEDHM
CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@H]1CCC[C@H]1C#N	ZINC000820032480	606300607	/nfs/dbraw/zinc/30/06/07/606300607.db2.gz	OAGAYBLMDOCLOO-NOLJZWGESA-N	-1	3	354.414	2.079	20	30		FEEDHM
C#CCOc1cccc(N[C@@H](C(=O)OC)c2cccc(-c3nnn[n-]3)c2)c1	ZINC000819710192	606303982	/nfs/dbraw/zinc/30/39/82/606303982.db2.gz	YVSYXJSZTGKVDE-QGZVFWFLSA-N	-1	3	363.377	2.205	20	30		FEEDHM
C#CCOc1cccc(N[C@@H](C(=O)OC)c2cccc(-c3nn[n-]n3)c2)c1	ZINC000819710192	606303984	/nfs/dbraw/zinc/30/39/84/606303984.db2.gz	YVSYXJSZTGKVDE-QGZVFWFLSA-N	-1	3	363.377	2.205	20	30		FEEDHM
N#C[C@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1c(Cl)cccc1Cl	ZINC000822801284	606320508	/nfs/dbraw/zinc/32/05/08/606320508.db2.gz	GTRFYJNJKIQMHH-NSHDSACASA-N	-1	3	362.180	2.496	20	30		FEEDHM
N#C[C@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1c(Cl)cccc1Cl	ZINC000822801284	606320510	/nfs/dbraw/zinc/32/05/10/606320510.db2.gz	GTRFYJNJKIQMHH-NSHDSACASA-N	-1	3	362.180	2.496	20	30		FEEDHM
C=CCN(CC(=O)OCC)Cc1ccc(-c2nnn[n-]2)cc1OC(F)F	ZINC000819740354	606484647	/nfs/dbraw/zinc/48/46/47/606484647.db2.gz	YGHPTQACCDOBSP-UHFFFAOYSA-N	-1	3	367.356	2.019	20	30		FEEDHM
C=CCN(CC(=O)OCC)Cc1ccc(-c2nn[n-]n2)cc1OC(F)F	ZINC000819740354	606484648	/nfs/dbraw/zinc/48/46/48/606484648.db2.gz	YGHPTQACCDOBSP-UHFFFAOYSA-N	-1	3	367.356	2.019	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cccc(OC)n1	ZINC000819745484	606498218	/nfs/dbraw/zinc/49/82/18/606498218.db2.gz	FYVPWVMUNXBVIM-UHFFFAOYSA-N	-1	3	350.382	2.099	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cccc(OC)n1	ZINC000819745484	606498220	/nfs/dbraw/zinc/49/82/20/606498220.db2.gz	FYVPWVMUNXBVIM-UHFFFAOYSA-N	-1	3	350.382	2.099	20	30		FEEDHM
COCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc(C#N)s1	ZINC000821690308	606506116	/nfs/dbraw/zinc/50/61/16/606506116.db2.gz	FGXPXMGQRGIZGP-UHFFFAOYSA-N	-1	3	368.422	2.089	20	30		FEEDHM
COCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc(C#N)s1	ZINC000821690308	606506118	/nfs/dbraw/zinc/50/61/18/606506118.db2.gz	FGXPXMGQRGIZGP-UHFFFAOYSA-N	-1	3	368.422	2.089	20	30		FEEDHM
C#Cc1ccc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2OC(F)F)cn1	ZINC000819709864	606558158	/nfs/dbraw/zinc/55/81/58/606558158.db2.gz	RXIHWWCEDHQTMW-UHFFFAOYSA-N	-1	3	371.303	2.201	20	30		FEEDHM
C#Cc1ccc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2OC(F)F)cn1	ZINC000819709864	606558159	/nfs/dbraw/zinc/55/81/59/606558159.db2.gz	RXIHWWCEDHQTMW-UHFFFAOYSA-N	-1	3	371.303	2.201	20	30		FEEDHM
COc1ccc(C#N)cc1NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F	ZINC000821770059	606675631	/nfs/dbraw/zinc/67/56/31/606675631.db2.gz	OEYIAZKTPQAJAO-UHFFFAOYSA-N	-1	3	356.292	2.277	20	30		FEEDHM
COc1ccc(C#N)cc1NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F	ZINC000821770059	606675632	/nfs/dbraw/zinc/67/56/32/606675632.db2.gz	OEYIAZKTPQAJAO-UHFFFAOYSA-N	-1	3	356.292	2.277	20	30		FEEDHM
N#Cc1ccc(NCC(=O)Nc2cccc(-c3nnn[n-]3)c2)c(Cl)c1	ZINC000822829758	607125196	/nfs/dbraw/zinc/12/51/96/607125196.db2.gz	HTFAIASUCQYPKY-UHFFFAOYSA-N	-1	3	353.773	2.442	20	30		FEEDHM
N#Cc1ccc(NCC(=O)Nc2cccc(-c3nn[n-]n3)c2)c(Cl)c1	ZINC000822829758	607125198	/nfs/dbraw/zinc/12/51/98/607125198.db2.gz	HTFAIASUCQYPKY-UHFFFAOYSA-N	-1	3	353.773	2.442	20	30		FEEDHM
N#Cc1cccc(-c2c[nH]c(CNC(=O)c3cccc(-c4nnn[n-]4)c3)n2)c1	ZINC000822837918	607188557	/nfs/dbraw/zinc/18/85/57/607188557.db2.gz	YOUKWBPHLTVVGL-UHFFFAOYSA-N	-1	3	370.376	2.058	20	30		FEEDHM
N#Cc1cccc(-c2c[nH]c(CNC(=O)c3cccc(-c4nn[n-]n4)c3)n2)c1	ZINC000822837918	607188558	/nfs/dbraw/zinc/18/85/58/607188558.db2.gz	YOUKWBPHLTVVGL-UHFFFAOYSA-N	-1	3	370.376	2.058	20	30		FEEDHM
C[C@@H]1CCC[C@@H](NC(=S)NN=Cc2ccccc2-c2nnn[n-]2)[C@@H]1C	ZINC000824927280	607883477	/nfs/dbraw/zinc/88/34/77/607883477.db2.gz	NMSGGFVCZZJKHR-LALPHHSUSA-N	-1	3	357.487	2.489	20	30		FEEDHM
C[C@@H]1CCC[C@@H](NC(=S)NN=Cc2ccccc2-c2nn[n-]n2)[C@@H]1C	ZINC000824927280	607883478	/nfs/dbraw/zinc/88/34/78/607883478.db2.gz	NMSGGFVCZZJKHR-LALPHHSUSA-N	-1	3	357.487	2.489	20	30		FEEDHM
Cc1c(C=NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cnn1C	ZINC000826235849	607887813	/nfs/dbraw/zinc/88/78/13/607887813.db2.gz	SMJVMZPQBKHMNQ-UHFFFAOYSA-N	-1	3	350.308	2.373	20	30		FEEDHM
Cc1c(C=NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cnn1C	ZINC000826235849	607887814	/nfs/dbraw/zinc/88/78/14/607887814.db2.gz	SMJVMZPQBKHMNQ-UHFFFAOYSA-N	-1	3	350.308	2.373	20	30		FEEDHM
COc1ccc(CON=CC(=O)Nc2cccc(F)c2)cc1-c1nnn[n-]1	ZINC000826206706	607971992	/nfs/dbraw/zinc/97/19/92/607971992.db2.gz	IAHDGJLQWXVLGQ-UHFFFAOYSA-N	-1	3	370.344	2.156	20	30		FEEDHM
COc1ccc(CON=CC(=O)Nc2cccc(F)c2)cc1-c1nn[n-]n1	ZINC000826206706	607971993	/nfs/dbraw/zinc/97/19/93/607971993.db2.gz	IAHDGJLQWXVLGQ-UHFFFAOYSA-N	-1	3	370.344	2.156	20	30		FEEDHM
N#Cc1cc(NC(=O)c2cnc([C@H]3CCCO3)s2)ccc1-c1nnn[n-]1	ZINC000826384459	608028290	/nfs/dbraw/zinc/02/82/90/608028290.db2.gz	WKNGGUXXKXVIFT-GFCCVEGCSA-N	-1	3	367.394	2.299	20	30		FEEDHM
N#Cc1cc(NC(=O)c2cnc([C@H]3CCCO3)s2)ccc1-c1nn[n-]n1	ZINC000826384459	608028291	/nfs/dbraw/zinc/02/82/91/608028291.db2.gz	WKNGGUXXKXVIFT-GFCCVEGCSA-N	-1	3	367.394	2.299	20	30		FEEDHM
CCOC(=O)[C@H]1CCC(=NNCc2ccc(-c3nnn[n-]3)cc2)[C@H](C)C1	ZINC000825499033	608054165	/nfs/dbraw/zinc/05/41/65/608054165.db2.gz	GDGNXXISVFJRGE-DOMZBBRYSA-N	-1	3	356.430	2.312	20	30		FEEDHM
CCOC(=O)[C@H]1CCC(=NNCc2ccc(-c3nn[n-]n3)cc2)[C@H](C)C1	ZINC000825499033	608054166	/nfs/dbraw/zinc/05/41/66/608054166.db2.gz	GDGNXXISVFJRGE-DOMZBBRYSA-N	-1	3	356.430	2.312	20	30		FEEDHM
N#Cc1cc(NC(=O)c2ccc(OCC(F)F)nc2)ccc1-c1nnn[n-]1	ZINC000826384396	608064736	/nfs/dbraw/zinc/06/47/36/608064736.db2.gz	TVAVBXGISHDMGS-UHFFFAOYSA-N	-1	3	371.307	2.030	20	30		FEEDHM
N#Cc1cc(NC(=O)c2ccc(OCC(F)F)nc2)ccc1-c1nn[n-]n1	ZINC000826384396	608064737	/nfs/dbraw/zinc/06/47/37/608064737.db2.gz	TVAVBXGISHDMGS-UHFFFAOYSA-N	-1	3	371.307	2.030	20	30		FEEDHM
N#Cc1cccc([C@@H]2CN(Cc3cc(F)ccc3-c3nnn[n-]3)CCO2)c1	ZINC000826386385	608070478	/nfs/dbraw/zinc/07/04/78/608070478.db2.gz	BNBYPKSCJZPLMQ-SFHVURJKSA-N	-1	3	364.384	2.451	20	30		FEEDHM
N#Cc1cccc([C@@H]2CN(Cc3cc(F)ccc3-c3nn[n-]n3)CCO2)c1	ZINC000826386385	608070479	/nfs/dbraw/zinc/07/04/79/608070479.db2.gz	BNBYPKSCJZPLMQ-SFHVURJKSA-N	-1	3	364.384	2.451	20	30		FEEDHM
Cc1ccc(-c2nnn[n-]2)c(N2CCCN(c3ccccc3C#N)CC2)n1	ZINC000826275119	608274189	/nfs/dbraw/zinc/27/41/89/608274189.db2.gz	PGILGAKYUJWLRX-UHFFFAOYSA-N	-1	3	360.425	2.159	20	30		FEEDHM
Cc1ccc(-c2nn[n-]n2)c(N2CCCN(c3ccccc3C#N)CC2)n1	ZINC000826275119	608274192	/nfs/dbraw/zinc/27/41/92/608274192.db2.gz	PGILGAKYUJWLRX-UHFFFAOYSA-N	-1	3	360.425	2.159	20	30		FEEDHM
N#C[C@@H](COC(=O)COc1ccccc1-c1nnn[n-]1)Cc1cccs1	ZINC000826378804	608276250	/nfs/dbraw/zinc/27/62/50/608276250.db2.gz	ARZVJDKFBCFZPB-LBPRGKRZSA-N	-1	3	369.406	2.233	20	30		FEEDHM
N#C[C@@H](COC(=O)COc1ccccc1-c1nn[n-]n1)Cc1cccs1	ZINC000826378804	608276251	/nfs/dbraw/zinc/27/62/51/608276251.db2.gz	ARZVJDKFBCFZPB-LBPRGKRZSA-N	-1	3	369.406	2.233	20	30		FEEDHM
C#CCCCCC(=O)NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1	ZINC000823837419	608300530	/nfs/dbraw/zinc/30/05/30/608300530.db2.gz	DBZHLNDIZZRBLR-UHFFFAOYSA-N	-1	3	368.441	2.262	20	30		FEEDHM
C#CCCCCC(=O)NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1	ZINC000823837419	608300532	/nfs/dbraw/zinc/30/05/32/608300532.db2.gz	DBZHLNDIZZRBLR-UHFFFAOYSA-N	-1	3	368.441	2.262	20	30		FEEDHM
C#Cc1ccc(C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cn1	ZINC000823861563	608479418	/nfs/dbraw/zinc/47/94/18/608479418.db2.gz	NOCPZAVMABATTK-UHFFFAOYSA-N	-1	3	356.389	2.173	20	30		FEEDHM
C#Cc1ccc(C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cn1	ZINC000823861563	608479420	/nfs/dbraw/zinc/47/94/20/608479420.db2.gz	NOCPZAVMABATTK-UHFFFAOYSA-N	-1	3	356.389	2.173	20	30		FEEDHM
C=CCSCCNC(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1	ZINC000823937316	609150470	/nfs/dbraw/zinc/15/04/70/609150470.db2.gz	RLYYXSRUHDCHLL-UHFFFAOYSA-N	-1	3	369.454	2.010	20	30		FEEDHM
C=CCSCCNC(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1	ZINC000823937316	609150471	/nfs/dbraw/zinc/15/04/71/609150471.db2.gz	RLYYXSRUHDCHLL-UHFFFAOYSA-N	-1	3	369.454	2.010	20	30		FEEDHM
CC(=O)c1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c(F)c1	ZINC000824019923	609187460	/nfs/dbraw/zinc/18/74/60/609187460.db2.gz	USMKEQGPYCVTPE-UHFFFAOYSA-N	-1	3	350.313	2.332	20	30		FEEDHM
CC(=O)c1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c(F)c1	ZINC000824019923	609187462	/nfs/dbraw/zinc/18/74/62/609187462.db2.gz	USMKEQGPYCVTPE-UHFFFAOYSA-N	-1	3	350.313	2.332	20	30		FEEDHM
N#CCc1ccccc1CC(=O)OCc1cc(F)ccc1-c1nnn[n-]1	ZINC000826382361	609244946	/nfs/dbraw/zinc/24/49/46/609244946.db2.gz	ATVJJIJSRPKMKS-UHFFFAOYSA-N	-1	3	351.341	2.358	20	30		FEEDHM
N#CCc1ccccc1CC(=O)OCc1cc(F)ccc1-c1nn[n-]n1	ZINC000826382361	609244948	/nfs/dbraw/zinc/24/49/48/609244948.db2.gz	ATVJJIJSRPKMKS-UHFFFAOYSA-N	-1	3	351.341	2.358	20	30		FEEDHM
N#CCc1ccccc1CC(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1	ZINC000826382455	609244976	/nfs/dbraw/zinc/24/49/76/609244976.db2.gz	FTIPIVYIVRRRPI-UHFFFAOYSA-N	-1	3	351.341	2.358	20	30		FEEDHM
N#CCc1ccccc1CC(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1	ZINC000826382455	609244978	/nfs/dbraw/zinc/24/49/78/609244978.db2.gz	FTIPIVYIVRRRPI-UHFFFAOYSA-N	-1	3	351.341	2.358	20	30		FEEDHM
Cn1cc(C=NO[C@@H]2CCCCO2)c(-c2ccc(-c3nnn[n-]3)cc2)n1	ZINC000826360434	609306430	/nfs/dbraw/zinc/30/64/30/609306430.db2.gz	KDAOYZWGTRHTGR-OAHLLOKOSA-N	-1	3	353.386	2.144	20	30		FEEDHM
Cn1cc(C=NO[C@@H]2CCCCO2)c(-c2ccc(-c3nn[n-]n3)cc2)n1	ZINC000826360434	609306432	/nfs/dbraw/zinc/30/64/32/609306432.db2.gz	KDAOYZWGTRHTGR-OAHLLOKOSA-N	-1	3	353.386	2.144	20	30		FEEDHM
N#CCCCCNC(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1	ZINC000826381776	609364492	/nfs/dbraw/zinc/36/44/92/609364492.db2.gz	YTRWDBKGOCQKFS-UHFFFAOYSA-N	-1	3	369.364	2.007	20	30		FEEDHM
C=CCCC(=O)COC(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1	ZINC000823887964	609626556	/nfs/dbraw/zinc/62/65/56/609626556.db2.gz	BZSKDXQZTBKZPK-UHFFFAOYSA-N	-1	3	366.381	2.053	20	30		FEEDHM
C=CCCC(=O)COC(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1	ZINC000823887964	609626557	/nfs/dbraw/zinc/62/65/57/609626557.db2.gz	BZSKDXQZTBKZPK-UHFFFAOYSA-N	-1	3	366.381	2.053	20	30		FEEDHM
O=C(OCC#Cc1cccc(Cl)c1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1	ZINC000826462765	609634076	/nfs/dbraw/zinc/63/40/76/609634076.db2.gz	IDHPLJDORUSCIE-INIZCTEOSA-N	-1	3	368.780	2.148	20	30		FEEDHM
O=C(OCC#Cc1cccc(Cl)c1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1	ZINC000826462765	609634078	/nfs/dbraw/zinc/63/40/78/609634078.db2.gz	IDHPLJDORUSCIE-INIZCTEOSA-N	-1	3	368.780	2.148	20	30		FEEDHM
C[S@](=O)Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C#N)nc2)c1	ZINC000559846260	674558292	/nfs/dbraw/zinc/55/82/92/674558292.db2.gz	VRDWCQAZLIPCSA-QFIPXVFZSA-N	-1	3	369.855	2.286	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)OCCC2CCOCC2)ccc1F	ZINC000814439773	674847766	/nfs/dbraw/zinc/84/77/66/674847766.db2.gz	UZBQNDQUWWABQB-UHFFFAOYSA-N	-1	3	371.430	2.264	20	30		FEEDHM
O=C(N[C@@H]1CCN([O-])C1=O)c1ccccc1C(=O)c1ccc(Cl)cc1	ZINC000816694263	675073781	/nfs/dbraw/zinc/07/37/81/675073781.db2.gz	BUEXDAAFDFHVHI-OAHLLOKOSA-N	-1	3	358.781	2.291	20	30		FEEDHM
Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)N[C@H]1CCN([O-])C1=O	ZINC000816693673	675073845	/nfs/dbraw/zinc/07/38/45/675073845.db2.gz	PSJRYOIUVFKJBQ-QMMMGPOBSA-N	-1	3	359.329	2.343	20	30		FEEDHM
O=C(N[C@H]1CCCN([O-])C1=O)c1cn(-c2ccc(Cl)c(Cl)c2)cn1	ZINC000816756528	675078148	/nfs/dbraw/zinc/07/81/48/675078148.db2.gz	ZESQKRNNASLLAP-LBPRGKRZSA-N	-1	3	369.208	2.289	20	30		FEEDHM
O=C(CCc1ncc(-c2ccccc2Cl)o1)N[C@@H]1CCCN([O-])C1=O	ZINC000816759940	675078292	/nfs/dbraw/zinc/07/82/92/675078292.db2.gz	YDKHYTSKCXNWSD-CYBMUJFWSA-N	-1	3	363.801	2.424	20	30		FEEDHM
CN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)C1(C#N)CCC1	ZINC000066322195	670439933	/nfs/dbraw/zinc/43/99/33/670439933.db2.gz	MMKYCYATIFPMQS-UHFFFAOYSA-N	-1	3	367.446	2.421	20	30		FEEDHM
N#CCOc1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1	ZINC000067950761	670463549	/nfs/dbraw/zinc/46/35/49/670463549.db2.gz	YTLLPYQARAURQX-UHFFFAOYSA-N	-1	3	365.342	2.115	20	30		FEEDHM
C#Cc1cccc(N(CC)C(=O)c2ccc(F)c(S(=O)(=O)[N-]C)c2)c1	ZINC000084187598	670665463	/nfs/dbraw/zinc/66/54/63/670665463.db2.gz	TZZKXAPUDOVIIU-UHFFFAOYSA-N	-1	3	360.410	2.382	20	30		FEEDHM
CN(CC(C)(C)C#N)C(=O)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F	ZINC000817611595	675152454	/nfs/dbraw/zinc/15/24/54/675152454.db2.gz	SAEAHFUTJVLWFL-UHFFFAOYSA-N	-1	3	371.409	2.027	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1cccc(C#N)c1	ZINC000611024213	676012332	/nfs/dbraw/zinc/01/23/32/676012332.db2.gz	CMEGNVYSKGKFCU-LLVKDONJSA-N	-1	3	356.363	2.378	20	30		FEEDHM
N#Cc1ccc(F)c(CS(=O)(=O)[N-][C@@H](CO)c2cc(F)ccc2F)c1	ZINC000611233661	676027245	/nfs/dbraw/zinc/02/72/45/676027245.db2.gz	RPRDIZUPIHECIO-INIZCTEOSA-N	-1	3	370.352	2.129	20	30		FEEDHM
COc1cc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)ccc1C#N	ZINC000589294198	672520538	/nfs/dbraw/zinc/52/05/38/672520538.db2.gz	NBQMHYYYDDMGOS-UHFFFAOYSA-N	-1	3	365.342	2.093	20	30		FEEDHM
C=CCOCC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000591328169	672670734	/nfs/dbraw/zinc/67/07/34/672670734.db2.gz	UKGVWEFQFDTXRY-UHFFFAOYSA-N	-1	3	354.306	2.095	20	30		FEEDHM
C=CCN(CCOC)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1	ZINC000191979831	672679392	/nfs/dbraw/zinc/67/93/92/672679392.db2.gz	CUHTUNKCCBAQSI-UHFFFAOYSA-N	-1	3	372.462	2.177	20	30		FEEDHM
CC(C)(C#N)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F	ZINC000611619061	676048046	/nfs/dbraw/zinc/04/80/46/676048046.db2.gz	OJYYZCJUVVQJBX-UHFFFAOYSA-N	-1	3	351.306	2.442	20	30		FEEDHM
C=C(Br)CNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-]	ZINC000195207400	672778998	/nfs/dbraw/zinc/77/89/98/672778998.db2.gz	FWVACRGYYJIWAH-GFCCVEGCSA-N	-1	3	353.216	2.022	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)OCc2cscn2)ccc1F	ZINC000728322445	673198416	/nfs/dbraw/zinc/19/84/16/673198416.db2.gz	ACZLIWPUNATJIQ-UHFFFAOYSA-N	-1	3	356.400	2.104	20	30		FEEDHM
O=S1(=O)CCCN1c1cc(N=Cc2ccc(O)c([O-])c2O)ccc1F	ZINC000731562330	673334455	/nfs/dbraw/zinc/33/44/55/673334455.db2.gz	VVKDPGMEHRKQBT-UHFFFAOYSA-N	-1	3	366.370	2.233	20	30		FEEDHM
COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=C([O-])c1nnn(C)c1C	ZINC000744028550	673779771	/nfs/dbraw/zinc/77/97/71/673779771.db2.gz	JTERRFSQVXEJET-SNVBAGLBSA-N	-1	3	361.789	2.055	20	30		FEEDHM
CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N1CCC1(C)C	ZINC000747399361	673926408	/nfs/dbraw/zinc/92/64/08/673926408.db2.gz	FTDFMGKZDUBEDP-AWEZNQCLSA-N	-1	3	363.483	2.151	20	30		FEEDHM
CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CC[C@H](C#N)C2)ccc1F	ZINC000819632357	675305766	/nfs/dbraw/zinc/30/57/66/675305766.db2.gz	ZZQMFOYZPKJQBL-WCQYABFASA-N	-1	3	367.446	2.325	20	30		FEEDHM
Cc1cc(C)c(CC(=O)N[C@@H]2CCN([O-])C2=O)c(C)c1Br	ZINC000820120882	675337138	/nfs/dbraw/zinc/33/71/38/675337138.db2.gz	TXJYSXQOAXWYMA-GFCCVEGCSA-N	-1	3	355.232	2.023	20	30		FEEDHM
C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)N[C@@H]1CCCN([O-])C1=O	ZINC000820470901	675364442	/nfs/dbraw/zinc/36/44/42/675364442.db2.gz	IMGWQAUDRJPYTE-TVQRCGJNSA-N	-1	3	373.222	2.263	20	30		FEEDHM
C=CCN(CCc1ccco1)C(=O)c1ncc(-c2nnn[n-]2)cc1Cl	ZINC000823903661	675576387	/nfs/dbraw/zinc/57/63/87/675576387.db2.gz	GUCZFOARYDVMCU-UHFFFAOYSA-N	-1	3	358.789	2.379	20	30		FEEDHM
C=CCN(CCc1ccco1)C(=O)c1ncc(-c2nn[n-]n2)cc1Cl	ZINC000823903661	675576390	/nfs/dbraw/zinc/57/63/90/675576390.db2.gz	GUCZFOARYDVMCU-UHFFFAOYSA-N	-1	3	358.789	2.379	20	30		FEEDHM
C=CC(C)(C)CCNS(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1	ZINC000625327089	676639292	/nfs/dbraw/zinc/63/92/92/676639292.db2.gz	BQKVOPUMZDTODZ-UHFFFAOYSA-N	-1	3	364.464	2.078	20	30		FEEDHM
C#CCSCC[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1	ZINC000830654472	677052451	/nfs/dbraw/zinc/05/24/51/677052451.db2.gz	RXOPNIVYNXIKOH-UHFFFAOYSA-N	-1	3	369.693	2.142	20	30		FEEDHM
COc1ccc(C=Nn2c(=S)[nH][nH]c2=S)c(Br)c1[O-]	ZINC000761016197	680707691	/nfs/dbraw/zinc/70/76/91/680707691.db2.gz	VMZMDWXVIUIVQO-UHFFFAOYSA-N	-1	3	361.246	2.214	20	30		FEEDHM
CN1CCC(=N[N-]c2cc(C(F)(F)F)nc(-c3ccncc3)n2)C1=O	ZINC000761814488	680732077	/nfs/dbraw/zinc/73/20/77/680732077.db2.gz	AGGMVWISESYRDL-UHFFFAOYSA-N	-1	3	350.304	2.187	20	30		FEEDHM
C#CCCCS(=O)(=O)[N-]c1c(C)cccc1-c1nnnn1[C@@H]1C[C@H]1C	ZINC000840947424	680855939	/nfs/dbraw/zinc/85/59/39/680855939.db2.gz	IUVAGFNMZZXHMG-UKRRQHHQSA-N	-1	3	359.455	2.385	20	30		FEEDHM
N#C[C@@]1(C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)CC12CCCC2	ZINC000832216042	680111863	/nfs/dbraw/zinc/11/18/63/680111863.db2.gz	XWEPEHUFDXKSQE-BLLLJJGKSA-N	-1	3	357.376	2.378	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)OCC(=O)CC(C)C)ccc1F	ZINC000751644726	680191191	/nfs/dbraw/zinc/19/11/91/680191191.db2.gz	MDBBEYHZVNMMKQ-UHFFFAOYSA-N	-1	3	357.403	2.062	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCS[C@@H](C)C2)ccc1F	ZINC000834684147	680256222	/nfs/dbraw/zinc/25/62/22/680256222.db2.gz	QBWGDEBRRMTBHS-WCQYABFASA-N	-1	3	372.487	2.304	20	30		FEEDHM
O=S(=O)(c1ccc(N=NCc2cccc(F)c2[O-])nc1)N1CCCC1	ZINC000755636156	680425752	/nfs/dbraw/zinc/42/57/52/680425752.db2.gz	MYSFVPDTFFUAQR-UHFFFAOYSA-N	-1	3	364.402	2.157	20	30		FEEDHM
O=S(=O)(Cc1ccccc1)[N-]N=Cc1cnc([C@@H]2CCCO2)s1	ZINC000755662393	680427426	/nfs/dbraw/zinc/42/74/26/680427426.db2.gz	OOKYKMNRQDKHJE-AWEZNQCLSA-N	-1	3	351.453	2.448	20	30		FEEDHM
CCOC(=O)c1ccc(S(=O)(=O)NN=Cc2ccc([O-])c(F)c2)cc1	ZINC000755800833	680437218	/nfs/dbraw/zinc/43/72/18/680437218.db2.gz	CRXXIBKFISRBLE-UHFFFAOYSA-N	-1	3	366.370	2.020	20	30		FEEDHM
CC#CCCOC(=O)[C@@H](CCCC)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000760284146	680681567	/nfs/dbraw/zinc/68/15/67/680681567.db2.gz	MNRALQBSWYTOLV-OAHLLOKOSA-N	-1	3	362.451	2.241	20	30		FEEDHM
C[C@H](CC(=O)N[C@@]1(C)CC=CCC1)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000838314511	680686040	/nfs/dbraw/zinc/68/60/40/680686040.db2.gz	GBUIPSFZYILLMD-ACJLOTCBSA-N	-1	3	361.467	2.119	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)c2ccnc(C)c2)ccc1F	ZINC000766600609	680882448	/nfs/dbraw/zinc/88/24/48/680882448.db2.gz	LIZJYFISXYQNRI-UHFFFAOYSA-N	-1	3	363.414	2.270	20	30		FEEDHM
C#C[C@H](CC)OC(=O)[C@@H](CC(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000768059817	680936730	/nfs/dbraw/zinc/93/67/30/680936730.db2.gz	AHFBRRKDOLSLEW-UKRRQHHQSA-N	-1	3	362.451	2.095	20	30		FEEDHM
CC1(C)CN(C(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)CC(C)(C)C1	ZINC000768648426	680954008	/nfs/dbraw/zinc/95/40/08/680954008.db2.gz	YNIDRPQXNZFCTE-UHFFFAOYSA-N	-1	3	363.483	2.010	20	30		FEEDHM
C=CC[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccncc1	ZINC000769860237	680997544	/nfs/dbraw/zinc/99/75/44/680997544.db2.gz	VDVPWXBKHUWVCI-OAHLLOKOSA-N	-1	3	361.423	2.206	20	30		FEEDHM
COc1ccc(C#N)cc1COC(=O)c1ccc([N-]S(C)(=O)=O)cc1	ZINC000772244705	681090420	/nfs/dbraw/zinc/09/04/20/681090420.db2.gz	MDBJDJZNIUDSJP-UHFFFAOYSA-N	-1	3	360.391	2.295	20	30		FEEDHM
C=C(C)CO[N-]C(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1	ZINC000846541234	681256735	/nfs/dbraw/zinc/25/67/35/681256735.db2.gz	RDPYENFPKQANBD-UHFFFAOYSA-N	-1	3	366.483	2.418	20	30		FEEDHM
C=C(C)CO[N-]C(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1	ZINC000846541548	681256814	/nfs/dbraw/zinc/25/68/14/681256814.db2.gz	YTYZJQSMAUOLOT-UHFFFAOYSA-N	-1	3	352.456	2.028	20	30		FEEDHM
C[C@H](C#N)Oc1ccccc1NC(=O)NCc1nc(C(F)(F)F)n[n-]1	ZINC000775722459	681328036	/nfs/dbraw/zinc/32/80/36/681328036.db2.gz	JDZQVBUTZDFDND-MRVPVSSYSA-N	-1	3	354.292	2.436	20	30		FEEDHM
CCC[C@](C)([N-]S(=O)(=O)Cc1c(C)cc(C#N)cc1C)C(=O)OC	ZINC000913897186	685488042	/nfs/dbraw/zinc/48/80/42/685488042.db2.gz	NPERYMLEBJKFPS-KRWDZBQOSA-N	-1	3	352.456	2.326	20	30		FEEDHM
CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)O[C@@H](C#N)CC	ZINC000781136663	681903867	/nfs/dbraw/zinc/90/38/67/681903867.db2.gz	FCDWRCAHHRGYOL-OCCSQVGLSA-N	-1	3	363.439	2.129	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)NN2[C@H](C)CCC[C@H]2C)ccc1F	ZINC000914457171	685508078	/nfs/dbraw/zinc/50/80/78/685508078.db2.gz	MMDDSQJNMHGPIQ-CHWSQXEVSA-N	-1	3	369.462	2.198	20	30		FEEDHM
O=C(C[S@@](=O)Cc1c(F)c(F)c(F)c(F)c1F)[N-]CC(F)(F)F	ZINC000914521851	685508283	/nfs/dbraw/zinc/50/82/83/685508283.db2.gz	PSMBSILNJFXDFK-QHCPKHFHSA-N	-1	3	369.233	2.309	20	30		FEEDHM
N#CC(C(=O)Nc1ccccn1)=C([O-])c1cc(Cl)c2c(c1)OCCO2	ZINC000917507984	685532609	/nfs/dbraw/zinc/53/26/09/685532609.db2.gz	GCOOZSFQGPIGSG-LLVKDONJSA-N	-1	3	357.753	2.467	20	30		FEEDHM
CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)O[C@@H](C)C(F)F	ZINC000786506090	682382278	/nfs/dbraw/zinc/38/22/78/682382278.db2.gz	JITCALFEGQDWTJ-JQWIXIFHSA-N	-1	3	374.409	2.481	20	30		FEEDHM
C#CCO[N-]C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S	ZINC000855603056	682692452	/nfs/dbraw/zinc/69/24/52/682692452.db2.gz	KUWOQSZYQRWTIB-BENRWUELSA-N	-1	3	366.489	2.411	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)cc2)cc1F	ZINC000793349323	682883981	/nfs/dbraw/zinc/88/39/81/682883981.db2.gz	OPPWGEZMGIFHEY-UHFFFAOYSA-N	-1	3	361.398	2.335	20	30		FEEDHM
CN(C)Cc1csc(C[N-]C(=O)C(F)(F)c2ccccc2C#N)n1	ZINC000927763252	683306017	/nfs/dbraw/zinc/30/60/17/683306017.db2.gz	AZAYQUAJOQHDKU-UHFFFAOYSA-N	-1	3	350.394	2.485	20	30		FEEDHM
C#CCC[C@@H](O)C[N-]S(=O)(=O)c1cc(Cl)ccc1Br	ZINC000798486436	683358247	/nfs/dbraw/zinc/35/82/47/683358247.db2.gz	RMIYRWNAYRXRBO-SNVBAGLBSA-N	-1	3	366.664	2.155	20	30		FEEDHM
CC(C)(C)OC(=O)[C@H]([N-]S(=O)(=O)CCCC#N)c1ccc(F)cc1	ZINC000921463511	683478046	/nfs/dbraw/zinc/47/80/46/683478046.db2.gz	OIAJOUUAWVSPKB-CQSZACIVSA-N	-1	3	356.419	2.432	20	30		FEEDHM
COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]CC1CCC(C#N)CC1	ZINC000799821639	683499190	/nfs/dbraw/zinc/49/91/90/683499190.db2.gz	JJXUWHCQHWGMBT-UHFFFAOYSA-N	-1	3	371.846	2.130	20	30		FEEDHM
COC(=O)C1(C#N)CCN(Cc2c([O-])cccc2Br)CC1	ZINC000862385831	683581954	/nfs/dbraw/zinc/58/19/54/683581954.db2.gz	QNKOJKJZRIBBSE-UHFFFAOYSA-N	-1	3	353.216	2.433	20	30		FEEDHM
CCN(CCC#N)C(=O)COC(=O)c1cccc2[n-]c(C(F)F)nc21	ZINC000924082732	684401404	/nfs/dbraw/zinc/40/14/04/684401404.db2.gz	BACCHLASFRHSQJ-UHFFFAOYSA-N	-1	3	350.325	2.419	20	30		FEEDHM
N#Cc1cnc(Cl)c(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)c1	ZINC000876610335	686227936	/nfs/dbraw/zinc/22/79/36/686227936.db2.gz	BEYJJQUNZGYLMB-UHFFFAOYSA-N	-1	3	356.813	2.270	20	30		FEEDHM
COCc1c(Br)cccc1NC(=O)N[C@@H]1CCCN([O-])C1=O	ZINC000878530327	686602726	/nfs/dbraw/zinc/60/27/26/686602726.db2.gz	SATIHELGOGPCDF-GFCCVEGCSA-N	-1	3	372.219	2.097	20	30		FEEDHM
O=C(Nc1ncc(Cc2ccccc2F)s1)N[C@@H]1CCCN([O-])C1=O	ZINC000879583000	686863340	/nfs/dbraw/zinc/86/33/40/686863340.db2.gz	UVIGLQVVNIWWKM-CYBMUJFWSA-N	-1	3	364.402	2.375	20	30		FEEDHM
CCOc1c(Br)cc(CN[C@H]2CCCN([O-])C2=O)cc1OC	ZINC000895164518	689669626	/nfs/dbraw/zinc/66/96/26/689669626.db2.gz	DCSZNZFLICEKDM-LBPRGKRZSA-N	-1	3	373.247	2.326	20	30		FEEDHM
C#CCN(C)CCCNC(=O)N[C@@](CC)(C(=O)[O-])c1ccc(Cl)cc1	ZINC000909038579	691770223	/nfs/dbraw/zinc/77/02/23/691770223.db2.gz	YPUBFSPBXXDBAM-GOSISDBHSA-N	-1	3	365.861	2.284	20	30		FEEDHM
C#CCN1CCC(C(=O)N[C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)CC1	ZINC000910381445	939756457	/nfs/dbraw/zinc/75/64/57/939756457.db2.gz	YENDLCTVHTXFMA-HNNXBMFYSA-N	-1	3	368.355	2.293	20	30		FEEDHM
C#CCN1CCC(C(=O)N[C@@H](C(=O)[O-])c2cccc3ccccc32)CC1	ZINC000910936034	939759798	/nfs/dbraw/zinc/75/97/98/939759798.db2.gz	KGTWKYQKXJXVNE-LJQANCHMSA-N	-1	3	350.418	2.427	20	30		FEEDHM
C#CCN1CCC(C(=O)N[C@H](C(=O)[O-])c2cccc3ccccc32)CC1	ZINC000910936033	939759835	/nfs/dbraw/zinc/75/98/35/939759835.db2.gz	KGTWKYQKXJXVNE-IBGZPJMESA-N	-1	3	350.418	2.427	20	30		FEEDHM
COc1cc(/N=C/c2c([O-])c(C)ncc2CO)ccc1N1CCCC1=O	ZINC000011116587	539524523	/nfs/dbraw/zinc/52/45/23/539524523.db2.gz	HZMOBILRQRTEIS-UFFVCSGVSA-N	-1	3	355.394	2.474	20	30		FEEDHM
CN(Cc1ccc(C#N)cc1)C(=O)CCn1[n-]c(=O)c2ccccc2c1=O	ZINC000025116772	539749464	/nfs/dbraw/zinc/74/94/64/539749464.db2.gz	PBEVTBFFOFYZBQ-UHFFFAOYSA-N	-1	3	362.389	2.022	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc([N+](=O)[O-])cc1F	ZINC000063446876	541168371	/nfs/dbraw/zinc/16/83/71/541168371.db2.gz	BIMBGUVFDCFJIZ-UHFFFAOYSA-N	-1	3	358.329	2.482	20	30		FEEDHM
CCC(CC)CN(CCC#N)C(=O)c1cc(S(=O)(=O)[N-]C)oc1C	ZINC000081750164	542675150	/nfs/dbraw/zinc/67/51/50/542675150.db2.gz	HHUKGJLDQAIDNM-UHFFFAOYSA-N	-1	3	355.460	2.288	20	30		FEEDHM
CCN(CCC#N)C(=O)Cc1csc(NC(=O)c2cccc([O-])c2)n1	ZINC000084409379	542713748	/nfs/dbraw/zinc/71/37/48/542713748.db2.gz	CZRGPEGMYORQNE-UHFFFAOYSA-N	-1	3	358.423	2.406	20	30		FEEDHM
N#CC1(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)CC1	ZINC000115152281	543553351	/nfs/dbraw/zinc/55/33/51/543553351.db2.gz	DZKRSKFSHZXGQH-UHFFFAOYSA-N	-1	3	359.382	2.412	20	30		FEEDHM
CCS[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000123129046	543744140	/nfs/dbraw/zinc/74/41/40/543744140.db2.gz	BUFPYPSQZJUQLT-DGCLKSJQSA-N	-1	3	355.441	2.419	20	30		FEEDHM
N#Cc1cc(F)ccc1NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1	ZINC000137771495	544392667	/nfs/dbraw/zinc/39/26/67/544392667.db2.gz	SCJZSMVAPVITAS-UHFFFAOYSA-N	-1	3	368.368	2.393	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]Cc2ccccc2-n2cccn2)c(F)c1	ZINC000151110210	544505815	/nfs/dbraw/zinc/50/58/15/544505815.db2.gz	RIWWGMZBZDVDPD-UHFFFAOYSA-N	-1	3	356.382	2.362	20	30		FEEDHM
CCOC(=O)C1CCC([N-]S(=O)(=O)c2ccc(C#N)cc2F)CC1	ZINC000151127561	544507648	/nfs/dbraw/zinc/50/76/48/544507648.db2.gz	ZMUYQAHKDHUSHQ-UHFFFAOYSA-N	-1	3	354.403	2.098	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccn(CC(F)(F)F)n1	ZINC000154644561	544931752	/nfs/dbraw/zinc/93/17/52/544931752.db2.gz	CNWQEQOONOPXRD-UHFFFAOYSA-N	-1	3	367.331	2.194	20	30		FEEDHM
N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H](CO)c2ccccc2)c1	ZINC000185070088	327897859	/nfs/dbraw/zinc/89/78/59/327897859.db2.gz	OVMVVQADBFTSRE-CQSZACIVSA-N	-1	3	350.827	2.266	20	30		FEEDHM
Cc1ccc(C[C@@H](CO)[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)cc1	ZINC000188356290	328082343	/nfs/dbraw/zinc/08/23/43/328082343.db2.gz	HPYQSLXVKJTDBZ-INIZCTEOSA-N	-1	3	364.854	2.402	20	30		FEEDHM
Cc1cccc(C[C@@H](CO)[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c1	ZINC000188396170	328084414	/nfs/dbraw/zinc/08/44/14/328084414.db2.gz	MBTMUMKFHOQPBX-HNNXBMFYSA-N	-1	3	364.854	2.402	20	30		FEEDHM
N#Cc1ccccc1-c1ccccc1C(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O	ZINC000195015104	328451739	/nfs/dbraw/zinc/45/17/39/328451739.db2.gz	NYSNLMSYVYIREM-OAQYLSRUSA-N	-1	3	374.400	2.039	20	30		FEEDHM
N#Cc1c(CN2CCN(C(=O)c3ccccc3[O-])CC2)cn2ccccc12	ZINC000080930123	325148171	/nfs/dbraw/zinc/14/81/71/325148171.db2.gz	ICMRFNKCWHWFOT-UHFFFAOYSA-N	-1	3	360.417	2.475	20	30		FEEDHM
Cc1ccc(S(=O)(=O)[N-]C2CCN(c3ccc(C#N)cn3)CC2)c(F)c1	ZINC000104741397	325544781	/nfs/dbraw/zinc/54/47/81/325544781.db2.gz	REHNWHWDAIGWLA-UHFFFAOYSA-N	-1	3	374.441	2.348	20	30		FEEDHM
CC(C)CN1CCC[C@H](C[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)C1	ZINC000120144375	326234109	/nfs/dbraw/zinc/23/41/09/326234109.db2.gz	FKKJHTIGFSQFKN-CYBMUJFWSA-N	-1	3	371.453	2.483	20	30		FEEDHM
N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]Cc1ccccc1OCCO	ZINC000121655377	326355421	/nfs/dbraw/zinc/35/54/21/326355421.db2.gz	QNJRTVLDBNJYQB-UHFFFAOYSA-N	-1	3	366.826	2.061	20	30		FEEDHM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]Cc1nc(C2CC2)cs1	ZINC000126901709	326497011	/nfs/dbraw/zinc/49/70/11/326497011.db2.gz	QKVCPSFUSPJMSD-UHFFFAOYSA-N	-1	3	364.408	2.279	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc(OCC3CC3)nc2)c(F)c1	ZINC000151126384	326675428	/nfs/dbraw/zinc/67/54/28/326675428.db2.gz	UEJDSGORUYTADA-UHFFFAOYSA-N	-1	3	361.398	2.360	20	30		FEEDHM
C[C@@]1(c2ccc(CNc3ccc([N+](=O)[O-])c(C#N)c3)cc2)NC(=O)[N-]C1=O	ZINC000166292621	327081241	/nfs/dbraw/zinc/08/12/41/327081241.db2.gz	PWYGPRAJCQSTFK-SFHVURJKSA-N	-1	3	365.349	2.133	20	30		FEEDHM
C[C@@H]1C[C@@H]([N-]S(=O)(=O)Cc2cccc(C#N)c2)C(=O)N1c1ccccc1	ZINC000173685408	327276792	/nfs/dbraw/zinc/27/67/92/327276792.db2.gz	YTWRUTIVFPJDAL-RDTXWAMCSA-N	-1	3	369.446	2.172	20	30		FEEDHM
N#Cc1ccc(F)c(CNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])c1	ZINC000174546889	327334115	/nfs/dbraw/zinc/33/41/15/327334115.db2.gz	GKMNSQRDDVMJOW-KRWDZBQOSA-N	-1	3	367.380	2.324	20	30		FEEDHM
N#Cc1ccc(OCCN2CCN(C(=O)c3cccc([O-])c3)CC2)cc1	ZINC000174668223	327342479	/nfs/dbraw/zinc/34/24/79/327342479.db2.gz	DPMIQKPDBXZGQU-UHFFFAOYSA-N	-1	3	351.406	2.101	20	30		FEEDHM
N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CCc1cn2c(n1)SCC2	ZINC000274263218	329932314	/nfs/dbraw/zinc/93/23/14/329932314.db2.gz	MKRABKXWWYEJTP-UHFFFAOYSA-N	-1	3	368.871	2.035	20	30		FEEDHM
CN(CCC[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1ccccc1	ZINC000156165324	517927793	/nfs/dbraw/zinc/92/77/93/517927793.db2.gz	YIZOBKFBZVGCOV-UHFFFAOYSA-N	-1	3	374.422	2.271	20	30		FEEDHM
N#Cc1cc(F)ccc1S(=O)(=O)[N-]Cc1ccc(N2CCCC2)nc1	ZINC000156365894	545621806	/nfs/dbraw/zinc/62/18/06/545621806.db2.gz	JXXBBKWRIIADNL-UHFFFAOYSA-N	-1	3	360.414	2.171	20	30		FEEDHM
N#Cc1cc(F)ccc1S(=O)(=O)[N-]CCN1CCc2sccc2C1	ZINC000156705571	545651123	/nfs/dbraw/zinc/65/11/23/545651123.db2.gz	NJVVZRGAJBAHDC-UHFFFAOYSA-N	-1	3	365.455	2.095	20	30		FEEDHM
C=C(C)COCC[N-]S(=O)(=O)c1ccc(Br)cc1F	ZINC000162916338	546143040	/nfs/dbraw/zinc/14/30/40/546143040.db2.gz	VSGVKZHBAUEVJR-UHFFFAOYSA-N	-1	3	352.225	2.459	20	30		FEEDHM
CC(=O)c1cc(F)c([N-]S(=O)(=O)c2ccc(C#N)nc2)c(F)c1F	ZINC000479150341	561182811	/nfs/dbraw/zinc/18/28/11/561182811.db2.gz	BONCIYPHVJHJJS-UHFFFAOYSA-N	-1	3	355.297	2.374	20	30		FEEDHM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]Cc1ccc2ncccc2c1	ZINC000480714131	561215050	/nfs/dbraw/zinc/21/50/50/561215050.db2.gz	PDEWGSUAUJMROX-UHFFFAOYSA-N	-1	3	368.374	2.493	20	30		FEEDHM
COCCOc1cc(C([O-])=C(C#N)c2nc3ccccc3n2C)ccn1	ZINC000179829822	547019052	/nfs/dbraw/zinc/01/90/52/547019052.db2.gz	CHPFVKAMTHDEJP-CQSZACIVSA-N	-1	3	350.378	2.484	20	30		FEEDHM
COc1cccc(NC(=O)C(C#N)Cn2[n-]c(C(F)(F)F)cc2=O)c1	ZINC000181292749	547287386	/nfs/dbraw/zinc/28/73/86/547287386.db2.gz	GILBESQUNNHQBG-SECBINFHSA-N	-1	3	354.288	2.395	20	30		FEEDHM
Cn1cnc(-c2ccc(C([O-])=C(C#N)c3nnc4n3CCCCC4)cc2)n1	ZINC000182868470	547563591	/nfs/dbraw/zinc/56/35/91/547563591.db2.gz	RHMCCQSNDRZWSV-OAHLLOKOSA-N	-1	3	361.409	2.290	20	30		FEEDHM
CC[C@@H](C#N)[N-]S(=O)(=O)c1cc(F)c(Br)cc1OC	ZINC000182919630	547572073	/nfs/dbraw/zinc/57/20/73/547572073.db2.gz	GBMFNHXUDSZZPF-ZETCQYMHSA-N	-1	3	351.197	2.177	20	30		FEEDHM
C=C(C)CN(C)C(=O)c1cc(C(C)C)nc2c1c(=O)[n-]c(=O)n2CCC	ZINC000183045638	547591787	/nfs/dbraw/zinc/59/17/87/547591787.db2.gz	PEHIHNHWBONWBX-UHFFFAOYSA-N	-1	3	358.442	2.266	20	30		FEEDHM
COC(=O)c1cc(S(=O)(=O)[N-][C@@]2(C#N)CCc3ccccc3C2)oc1C	ZINC000185147642	547940544	/nfs/dbraw/zinc/94/05/44/547940544.db2.gz	FLGNYGVSASNZLH-SFHVURJKSA-N	-1	3	374.418	2.104	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCCC3(CC3)C2)ccc1F	ZINC000185360311	547973950	/nfs/dbraw/zinc/97/39/50/547973950.db2.gz	DEVDPFQMFNSMHR-UHFFFAOYSA-N	-1	3	352.431	2.306	20	30		FEEDHM
COC(=O)C[C@@](C)([N-]S(=O)(=O)c1cccc(C)c1C#N)c1ccccn1	ZINC000485442720	561319284	/nfs/dbraw/zinc/31/92/84/561319284.db2.gz	HUYURZNBIVMESZ-GOSISDBHSA-N	-1	3	373.434	2.019	20	30		FEEDHM
C=C[C@@](C)(CC)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1	ZINC000189005435	548292458	/nfs/dbraw/zinc/29/24/58/548292458.db2.gz	ITPUCBRIGZDVCA-ZDUSSCGKSA-N	-1	3	350.893	2.398	20	30		FEEDHM
COc1ccc(C([O-])=C(C#N)c2cnc3ccccc3n2)cc1-n1cnnn1	ZINC000190958309	548337807	/nfs/dbraw/zinc/33/78/07/548337807.db2.gz	ZSFMDOWNSPZLBF-CYBMUJFWSA-N	-1	3	371.360	2.104	20	30		FEEDHM
COC(=O)c1ccc(CS(=O)(=O)[N-][C@]2(C#N)CCC[C@@H](C)C2)cc1	ZINC000194689781	548516136	/nfs/dbraw/zinc/51/61/36/548516136.db2.gz	FXPHUCFOMBECEN-CXAGYDPISA-N	-1	3	350.440	2.365	20	30		FEEDHM
CS(=O)(=O)Cc1ccc(C(=O)[N-]c2sc3c(c2C#N)CCC3)o1	ZINC000195216193	548597387	/nfs/dbraw/zinc/59/73/87/548597387.db2.gz	RKAPBEMYBSNYDP-UHFFFAOYSA-N	-1	3	350.421	2.498	20	30		FEEDHM
CC(C)([N-]S(=O)(=O)c1cncc(C#N)c1)c1cc(C(F)(F)F)on1	ZINC000490475965	561433867	/nfs/dbraw/zinc/43/38/67/561433867.db2.gz	HESZCSJMPWWXTO-UHFFFAOYSA-N	-1	3	360.317	2.174	20	30		FEEDHM
C=CC[C@H](C)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1ccccc1C(F)(F)F	ZINC000265315196	550008823	/nfs/dbraw/zinc/00/88/23/550008823.db2.gz	GKMQOOABIGUCAD-WDEREUQCSA-N	-1	3	364.389	2.453	20	30		FEEDHM
COc1ccccc1-c1noc([C@H](C)[N-]S(=O)(=O)CCCCC#N)n1	ZINC000266331040	550019428	/nfs/dbraw/zinc/01/94/28/550019428.db2.gz	TVFAZDGVMHMIJW-LBPRGKRZSA-N	-1	3	364.427	2.419	20	30		FEEDHM
C=CCCOCC[N-]S(=O)(=O)c1cc(F)ccc1Br	ZINC000270275855	550258259	/nfs/dbraw/zinc/25/82/59/550258259.db2.gz	YOSAPZRGQSZWDA-UHFFFAOYSA-N	-1	3	352.225	2.459	20	30		FEEDHM
CCCOc1ccc(/C=N/[C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)c([O-])c1	ZINC000271814210	550403933	/nfs/dbraw/zinc/40/39/33/550403933.db2.gz	NYLURTGWKSSDIS-DRZPYTGRSA-N	-1	3	367.467	2.336	20	30		FEEDHM
CCCC[C@H](ON=C(C)C)C(=O)Nc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1	ZINC000273676301	550507692	/nfs/dbraw/zinc/50/76/92/550507692.db2.gz	YKPXXLWIDSHPTC-HOTGVXAUSA-N	-1	3	374.441	2.347	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-]C[C@H](c1cccs1)N1CCCC1	ZINC000276978746	550617747	/nfs/dbraw/zinc/61/77/47/550617747.db2.gz	GRLPVJZPUNGSKE-CQSZACIVSA-N	-1	3	362.480	2.130	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-][C@H](c1ccc2c(c1)OCCO2)C1CC1	ZINC000277005509	550621216	/nfs/dbraw/zinc/62/12/16/550621216.db2.gz	KQNIEFUZZPKZAX-SFHVURJKSA-N	-1	3	371.418	2.154	20	30		FEEDHM
COc1cc(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)ccc1[O-]	ZINC000277123094	550634659	/nfs/dbraw/zinc/63/46/59/550634659.db2.gz	OORXHLPVDCUSAA-INIZCTEOSA-N	-1	3	365.389	2.198	20	30		FEEDHM
N#Cc1ccccc1CSCCNC(=O)CNC(=O)c1cccc([O-])c1	ZINC000495119056	561482492	/nfs/dbraw/zinc/48/24/92/561482492.db2.gz	FEBGQHOUTHSWHJ-UHFFFAOYSA-N	-1	3	369.446	2.043	20	30		FEEDHM
CN(C)CCOc1ccc([N-]S(=O)(=O)c2ccccc2CC#N)cc1	ZINC000279933381	550944365	/nfs/dbraw/zinc/94/43/65/550944365.db2.gz	LOQRWYCZJXGWOE-UHFFFAOYSA-N	-1	3	359.451	2.494	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@]2(CCOC2)OC(C)(C)C1	ZINC000280569134	551008735	/nfs/dbraw/zinc/00/87/35/551008735.db2.gz	OWAFEWFZSRCQRY-FQEVSTJZSA-N	-1	3	373.453	2.005	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(CCCO)Cc1ccccn1	ZINC000280731701	551026176	/nfs/dbraw/zinc/02/61/76/551026176.db2.gz	ZANDROXBNMTNNG-UHFFFAOYSA-N	-1	3	368.437	2.015	20	30		FEEDHM
C=CCN1CC[C@H](N(C)C(=O)c2c[n-]c3c(C)cc(C)cc3c2=O)C1=O	ZINC000281927895	551159124	/nfs/dbraw/zinc/15/91/24/551159124.db2.gz	HUCXAALGQVVVIZ-INIZCTEOSA-N	-1	3	353.422	2.416	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)N(C)[C@@H](C)CC#N)c1nc(-c2cccc(F)c2)no1	ZINC000283046323	551302794	/nfs/dbraw/zinc/30/27/94/551302794.db2.gz	RVTZMMVUTNEPIZ-QWRGUYRKSA-N	-1	3	367.406	2.005	20	30		FEEDHM
N#Cc1cc([N-]S(=O)(=O)C[C@H]2CCCO2)ccc1OC(F)(F)F	ZINC000283089763	551309868	/nfs/dbraw/zinc/30/98/68/551309868.db2.gz	VJALNUIPDVNZCY-LLVKDONJSA-N	-1	3	350.318	2.378	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]C2CCN(CCc3ccccc3)CC2)o1	ZINC000286723521	551918784	/nfs/dbraw/zinc/91/87/84/551918784.db2.gz	SMIUZYZSLXNIMU-UHFFFAOYSA-N	-1	3	359.451	2.137	20	30		FEEDHM
C=C[C@H](CC(=O)N1CCC[C@@H]1C[C@@]1(C)NC(=O)[N-]C1=O)c1ccccc1	ZINC000287782953	552046159	/nfs/dbraw/zinc/04/61/59/552046159.db2.gz	IRDZIYGZWYFCHY-AKCHCHLHSA-N	-1	3	355.438	2.326	20	30		FEEDHM
C[C@H](CO)CCC[N-]S(=O)(=O)c1cccc(Br)c1C#N	ZINC000287937261	552065461	/nfs/dbraw/zinc/06/54/61/552065461.db2.gz	VNTMKSSOGJECES-JTQLQIEISA-N	-1	3	361.261	2.008	20	30		FEEDHM
C[C@@H](O)C[C@@H](C)C[N-]S(=O)(=O)c1cccc(Br)c1C#N	ZINC000288052079	552081500	/nfs/dbraw/zinc/08/15/00/552081500.db2.gz	IPWAUZLOLVGKMO-NXEZZACHSA-N	-1	3	361.261	2.006	20	30		FEEDHM
Cc1nn2cc(S(=O)(=O)[N-]Cc3ccc(C#N)cc3)cnc2c1Cl	ZINC000500687331	561579562	/nfs/dbraw/zinc/57/95/62/561579562.db2.gz	MMZIOGRNIDWUPL-UHFFFAOYSA-N	-1	3	361.814	2.041	20	30		FEEDHM
CCCCCCC[C@]1(C)NC(=O)N(NC(=O)c2ccc(O)cc2[O-])C1=O	ZINC000298104959	553384913	/nfs/dbraw/zinc/38/49/13/553384913.db2.gz	XAKUIBUTJGTVRG-SFHVURJKSA-N	-1	3	363.414	2.414	20	30		FEEDHM
COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N(C)CC#N)c2)cc1	ZINC000504619445	561660366	/nfs/dbraw/zinc/66/03/66/561660366.db2.gz	FKCZYQXYYKJMAX-UHFFFAOYSA-N	-1	3	373.434	2.400	20	30		FEEDHM
Cc1ccc(NC(=O)NC(=O)[C@H](C)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)c(C)c1	ZINC000329462905	553951056	/nfs/dbraw/zinc/95/10/56/553951056.db2.gz	UDAGYEYTZSYUIU-JSGCOSHPSA-N	-1	3	373.413	2.270	20	30		FEEDHM
Cc1ccc(NC(=O)NC(=O)[C@H](C)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)c(C)c1	ZINC000329462904	553951392	/nfs/dbraw/zinc/95/13/92/553951392.db2.gz	UDAGYEYTZSYUIU-GXTWGEPZSA-N	-1	3	373.413	2.270	20	30		FEEDHM
CC(=O)N1CCC[C@@H](c2noc(CCc3c(C)[n-]c(=O)c(C#N)c3C)n2)C1	ZINC000329649294	553982272	/nfs/dbraw/zinc/98/22/72/553982272.db2.gz	FHOXRWXGHYTEFE-CQSZACIVSA-N	-1	3	369.425	2.170	20	30		FEEDHM
CSCC[C@@](C)(C#N)[N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2	ZINC000508109636	561752269	/nfs/dbraw/zinc/75/22/69/561752269.db2.gz	ANOIXMBKYAQATR-HNNXBMFYSA-N	-1	3	371.459	2.024	20	30		FEEDHM
C[C@H](CC#N)N(C)S(=O)(=O)[N-][C@H](C(=O)OC(C)(C)C)c1ccccc1	ZINC000509190045	561789192	/nfs/dbraw/zinc/78/91/92/561789192.db2.gz	LJCFANKJJAQGQM-HIFRSBDPSA-N	-1	3	367.471	2.138	20	30		FEEDHM
CCN(C[C@H](C)C#N)C(=O)c1cc(C(C)C)nc2c1c(=O)[n-]c(=O)n2CC	ZINC000509722045	561811631	/nfs/dbraw/zinc/81/16/31/561811631.db2.gz	OSOPSLPEDCPNTK-GFCCVEGCSA-N	-1	3	371.441	2.262	20	30		FEEDHM
N#Cc1ccc(NC(=O)N2CCN(C(=O)c3cccc([O-])c3)CC2)cc1	ZINC000510026756	561822328	/nfs/dbraw/zinc/82/23/28/561822328.db2.gz	QOMIBFFTCXYPJF-UHFFFAOYSA-N	-1	3	350.378	2.254	20	30		FEEDHM
Cn1cc(C#N)c(=NC(=O)NC2CCN(CCc3ccccc3)CC2)[n-]1	ZINC000610564878	554530320	/nfs/dbraw/zinc/53/03/20/554530320.db2.gz	SXTRTUSRXBXDHN-UHFFFAOYSA-N	-1	3	352.442	2.120	20	30		FEEDHM
C[C@@H](C#N)S(=O)(=O)[N-][C@@H](c1nc2ccccc2n1C)c1ccccc1	ZINC000510776240	561845960	/nfs/dbraw/zinc/84/59/60/561845960.db2.gz	BZKPECQJTHFKFP-SUMWQHHRSA-N	-1	3	354.435	2.494	20	30		FEEDHM
COC(=O)CC1CCN(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)CC1	ZINC000513146119	561926816	/nfs/dbraw/zinc/92/68/16/561926816.db2.gz	ANAIJAJQFLNVHV-UHFFFAOYSA-N	-1	3	359.426	2.010	20	30		FEEDHM
N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H](CC(N)=O)c1ccccc1	ZINC000515002409	561991231	/nfs/dbraw/zinc/99/12/31/561991231.db2.gz	JXAUKWMQMMXEHL-CQSZACIVSA-N	-1	3	363.826	2.107	20	30		FEEDHM
CC(C)N1CCN(c2cccc([N-]S(=O)(=O)c3ccc(C#N)o3)c2)CC1	ZINC000516209894	562036124	/nfs/dbraw/zinc/03/61/24/562036124.db2.gz	RSENEIMQMNYUBB-UHFFFAOYSA-N	-1	3	374.466	2.482	20	30		FEEDHM
N#Cc1c(Br)cccc1S(=O)(=O)[N-]CC[C@@H]1CCOC1	ZINC000517981699	562101970	/nfs/dbraw/zinc/10/19/70/562101970.db2.gz	ITEKGCGKVHTISM-SNVBAGLBSA-N	-1	3	359.245	2.026	20	30		FEEDHM
N#Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2cnc3n2CCCC3)c1	ZINC000375111103	557979510	/nfs/dbraw/zinc/97/95/10/557979510.db2.gz	IMXFBUQWOZQFMJ-UHFFFAOYSA-N	-1	3	350.831	2.223	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]C2CCN(Cc3ccccc3F)CC2)o1	ZINC000376286522	558152732	/nfs/dbraw/zinc/15/27/32/558152732.db2.gz	CUEOVBJKSIFHFR-UHFFFAOYSA-N	-1	3	363.414	2.233	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H](c2ccnn2C)C1	ZINC000376600062	558196017	/nfs/dbraw/zinc/19/60/17/558196017.db2.gz	OBVFTKLFSGGJNN-HNNXBMFYSA-N	-1	3	367.453	2.348	20	30		FEEDHM
COc1cccc2c(C(=O)Nc3cnn(-c4ncccc4C#N)c3)[n-]nc21	ZINC000377858450	558436206	/nfs/dbraw/zinc/43/62/06/558436206.db2.gz	YVLMGZIDLRYWCS-UHFFFAOYSA-N	-1	3	359.349	2.276	20	30		FEEDHM
COc1cccc2c(C(=O)Nc3cnn(-c4ncccc4C#N)c3)n[n-]c21	ZINC000377858450	558436208	/nfs/dbraw/zinc/43/62/08/558436208.db2.gz	YVLMGZIDLRYWCS-UHFFFAOYSA-N	-1	3	359.349	2.276	20	30		FEEDHM
CCC[C@H](C#N)NC(=O)c1cc(C2CC2)nc2c1c(=O)[n-]c(=O)n2CCC	ZINC000523282577	562210465	/nfs/dbraw/zinc/21/04/65/562210465.db2.gz	SWZWNKYHOAVZJV-GFCCVEGCSA-N	-1	3	369.425	2.207	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2COC3(CCCC3)O2)c(Cl)c1	ZINC000378608919	558593223	/nfs/dbraw/zinc/59/32/23/558593223.db2.gz	RCZXTCYHZGYEID-GFCCVEGCSA-N	-1	3	356.831	2.176	20	30		FEEDHM
C[N-]S(=O)(=O)c1ccc(CNc2c(C#N)nnc3ccccc32)s1	ZINC000525357793	562246681	/nfs/dbraw/zinc/24/66/81/562246681.db2.gz	VORIALVPQFYQFP-UHFFFAOYSA-N	-1	3	359.436	2.083	20	30		FEEDHM
N#Cc1ccc(Br)cc1S(=O)(=O)[N-]C[C@H]1CCCOC1	ZINC000416375947	559308484	/nfs/dbraw/zinc/30/84/84/559308484.db2.gz	XAVOKSUZMMPSMF-SNVBAGLBSA-N	-1	3	359.245	2.026	20	30		FEEDHM
C[C@H]1COCC[C@@H]1C[N-]S(=O)(=O)c1cc(Br)ccc1C#N	ZINC000416485806	559316710	/nfs/dbraw/zinc/31/67/10/559316710.db2.gz	GOONAEKHKXYUFY-CMPLNLGQSA-N	-1	3	373.272	2.272	20	30		FEEDHM
C=CCC[C@H](CO)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000416493628	559317524	/nfs/dbraw/zinc/31/75/24/559317524.db2.gz	FTEAHOBTSINEMV-SNVBAGLBSA-N	-1	3	368.333	2.219	20	30		FEEDHM
C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(Br)c2C#N)CS1	ZINC000416602816	559324525	/nfs/dbraw/zinc/32/45/25/559324525.db2.gz	XHVFXPWJRHQLQH-DTWKUNHWSA-N	-1	3	361.286	2.493	20	30		FEEDHM
N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCCC(F)(F)[C@@H]1O	ZINC000416623152	559325631	/nfs/dbraw/zinc/32/56/31/559325631.db2.gz	MHTQPYCSUAHXJN-CMPLNLGQSA-N	-1	3	350.774	2.039	20	30		FEEDHM
N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@@H]1CCC[C@H](CO)C1	ZINC000416645981	559327352	/nfs/dbraw/zinc/32/73/52/559327352.db2.gz	GKKJPXCABWJUIH-WDEREUQCSA-N	-1	3	373.272	2.150	20	30		FEEDHM
Cc1cc(CN[C@H](Cn2ccc(C(F)(F)F)n2)C(=O)[O-])ccc1C#N	ZINC000417577817	559367376	/nfs/dbraw/zinc/36/73/76/559367376.db2.gz	MMZDHVVJYSPWTI-CYBMUJFWSA-N	-1	3	352.316	2.325	20	30		FEEDHM
COC(=O)c1ccc(C[N-]S(=O)(=O)CC2(C#N)CCCCC2)s1	ZINC000420733573	559501161	/nfs/dbraw/zinc/50/11/61/559501161.db2.gz	IESGKRWZUSLULG-UHFFFAOYSA-N	-1	3	356.469	2.428	20	30		FEEDHM
N#Cc1ccc(CS(=O)(=O)[N-]CC(=O)C2CCC(F)(F)CC2)cc1	ZINC000425193019	559690505	/nfs/dbraw/zinc/69/05/05/559690505.db2.gz	JNGFCFGROJLGLU-UHFFFAOYSA-N	-1	3	356.394	2.372	20	30		FEEDHM
Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]CC1CCN(CC#N)CC1	ZINC000427803061	559763047	/nfs/dbraw/zinc/76/30/47/559763047.db2.gz	KWFAPIPNPFBVIW-UHFFFAOYSA-N	-1	3	365.430	2.394	20	30		FEEDHM
CC(C)CC(=O)Nc1cccc(C[N-]S(=O)(=O)c2cccnc2C#N)c1	ZINC000428225483	559771778	/nfs/dbraw/zinc/77/17/78/559771778.db2.gz	FJUOFBXPGDZSLV-UHFFFAOYSA-N	-1	3	372.450	2.416	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-][C@@H]1CCCN(c2ccccc2F)C1	ZINC000428396507	559774649	/nfs/dbraw/zinc/77/46/49/559774649.db2.gz	HHQRACIBKXMDRI-CYBMUJFWSA-N	-1	3	360.414	2.040	20	30		FEEDHM
CO[C@@H](C[N-]S(=O)(=O)c1cccnc1C#N)c1ccc(Cl)cc1	ZINC000428404708	559774863	/nfs/dbraw/zinc/77/48/63/559774863.db2.gz	CNZYFIKYDUTBPF-AWEZNQCLSA-N	-1	3	351.815	2.273	20	30		FEEDHM
COc1ccc(Br)c(S(=O)(=O)[N-]CC2(CC#N)CC2)c1	ZINC000429976905	559810267	/nfs/dbraw/zinc/81/02/67/559810267.db2.gz	UOPUGBMHYCZZCA-UHFFFAOYSA-N	-1	3	359.245	2.430	20	30		FEEDHM
Cc1ncc(CNC(=O)c2cnn(CCC#N)c2-c2ccccc2)c(=O)[n-]1	ZINC000430082852	559812613	/nfs/dbraw/zinc/81/26/13/559812613.db2.gz	FYVMMBPPBRCNOR-UHFFFAOYSA-N	-1	3	362.393	2.198	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCN(c3ccccc3)C2=O)s1	ZINC000435428600	559922675	/nfs/dbraw/zinc/92/26/75/559922675.db2.gz	RNFALEACLFJDNY-CQSZACIVSA-N	-1	3	361.448	2.094	20	30		FEEDHM
CN(C)[C@H](C[N-]S(=O)(=O)c1ccc(C#N)s1)c1ccc(F)cc1	ZINC000435433928	559922921	/nfs/dbraw/zinc/92/29/21/559922921.db2.gz	VHVRLZVCDYQTQA-CQSZACIVSA-N	-1	3	353.444	2.340	20	30		FEEDHM
COc1cc(C)cc(C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)c1[O-]	ZINC000436630983	559947006	/nfs/dbraw/zinc/94/70/06/559947006.db2.gz	RIQMGLKLHJDKFS-UHFFFAOYSA-N	-1	3	363.377	2.722	20	30		FEEDHM
Cc1ccc(C(=O)NCCC(=O)NCCc2cccc(C#N)c2)c([O-])c1	ZINC000436748593	559950705	/nfs/dbraw/zinc/95/07/05/559950705.db2.gz	GVLWKEXBVKGWEG-UHFFFAOYSA-N	-1	3	351.406	2.051	20	30		FEEDHM
Cc1ccc(C(=O)N2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)c([O-])c1C	ZINC000436744952	559950770	/nfs/dbraw/zinc/95/07/70/559950770.db2.gz	RHHPGANPXGGBBB-SPLOXXLWSA-N	-1	3	361.401	2.495	20	30		FEEDHM
C[C@H](COCC(F)(F)F)[N-]S(=O)(=O)c1ccc(Cl)cc1C#N	ZINC000443029728	560066782	/nfs/dbraw/zinc/06/67/82/560066782.db2.gz	RDSQIEQWYLUORR-MRVPVSSYSA-N	-1	3	356.753	2.457	20	30		FEEDHM
C[C@H](COCC(F)(F)F)[N-]S(=O)(=O)c1cccc(Cl)c1C#N	ZINC000443031894	560066973	/nfs/dbraw/zinc/06/69/73/560066973.db2.gz	ZRVLFKFWVKCFGM-MRVPVSSYSA-N	-1	3	356.753	2.457	20	30		FEEDHM
N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CC(=O)Nc1ccc(F)cc1	ZINC000443037306	560067095	/nfs/dbraw/zinc/06/70/95/560067095.db2.gz	NKDFPCYWWCKCBO-UHFFFAOYSA-N	-1	3	367.789	2.268	20	30		FEEDHM
N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H](CO)c1cccc(F)c1	ZINC000443264194	560076757	/nfs/dbraw/zinc/07/67/57/560076757.db2.gz	OHJITBDTEYRTOP-CQSZACIVSA-N	-1	3	354.790	2.363	20	30		FEEDHM
CC(C)C[C@@H]([N-]S(=O)(=O)CC1(CC#N)CC1)C(=O)Nc1nccs1	ZINC000451368781	560302925	/nfs/dbraw/zinc/30/29/25/560302925.db2.gz	MDZNEDSFLSNQQU-GFCCVEGCSA-N	-1	3	370.500	2.110	20	30		FEEDHM
Cc1nc(C[N-]S(=O)(=O)CC2(CC#N)CC2)sc1Br	ZINC000451662606	560320390	/nfs/dbraw/zinc/32/03/90/560320390.db2.gz	KZEHUKLQIXWYLQ-UHFFFAOYSA-N	-1	3	364.290	2.327	20	30		FEEDHM
N#Cc1c(Br)cccc1S(=O)(=O)[N-]C[C@H]1CCCC[C@@H]1O	ZINC000451945685	560339889	/nfs/dbraw/zinc/33/98/89/560339889.db2.gz	VPVCRLNYRUWKEP-MFKMUULPSA-N	-1	3	373.272	2.150	20	30		FEEDHM
C=CCC[C@@H](CO)[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F	ZINC000452025469	560346327	/nfs/dbraw/zinc/34/63/27/560346327.db2.gz	RHURYWALQBPGHQ-JTQLQIEISA-N	-1	3	364.826	2.043	20	30		FEEDHM
CC(C)(C)Oc1ccc(NC(=O)C(=O)NCc2ncccc2[O-])cc1C#N	ZINC000453731587	560400210	/nfs/dbraw/zinc/40/02/10/560400210.db2.gz	RMPUQNJEPLXMMH-UHFFFAOYSA-N	-1	3	368.393	2.091	20	30		FEEDHM
C=C(CC)CNC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F	ZINC000455536067	560486130	/nfs/dbraw/zinc/48/61/30/560486130.db2.gz	LHOZUVJFELQSNM-UHFFFAOYSA-N	-1	3	363.842	2.023	20	30		FEEDHM
N#C[C@@H]1CCC[C@H]1NC(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1	ZINC000461968804	560790306	/nfs/dbraw/zinc/79/03/06/560790306.db2.gz	SVKKKUNRCVGQCJ-LSDHHAIUSA-N	-1	3	356.426	2.445	20	30		FEEDHM
CO[C@@H](CCNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C(F)(F)F	ZINC000469936067	560969290	/nfs/dbraw/zinc/96/92/90/560969290.db2.gz	SJDIZJOEHSUKJG-ZDUSSCGKSA-N	-1	3	359.348	2.292	20	30		FEEDHM
C=CCn1c(=O)[n-]nc1SCC(=O)c1cc2c(cc1F)NC(=O)CC2	ZINC000470819667	560990657	/nfs/dbraw/zinc/99/06/57/560990657.db2.gz	GWELTRULIXDPSV-UHFFFAOYSA-N	-1	3	362.386	2.169	20	30		FEEDHM
C=CCn1c(=O)[n-]nc1SCc1csc(CC(=O)OC(C)C)n1	ZINC000470821715	560990710	/nfs/dbraw/zinc/99/07/10/560990710.db2.gz	HSPRSUZHMJBUER-UHFFFAOYSA-N	-1	3	354.457	2.413	20	30		FEEDHM
CS(=O)(=O)[N-]c1ccc(C(=O)N[C@@]2(C#N)CCc3ccccc3C2)cc1	ZINC000474647418	561079435	/nfs/dbraw/zinc/07/94/35/561079435.db2.gz	MFVKTIHWTNQUBJ-IBGZPJMESA-N	-1	3	369.446	2.239	20	30		FEEDHM
CN(Cc1ccccc1)C(=O)C[N-]S(=O)(=O)CC1(C#N)CCCCC1	ZINC000475582673	561100305	/nfs/dbraw/zinc/10/03/05/561100305.db2.gz	NLLFHOGESGYPQP-UHFFFAOYSA-N	-1	3	363.483	2.038	20	30		FEEDHM
N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H](CO)Cc2ccccc2)c1	ZINC000475810798	561105873	/nfs/dbraw/zinc/10/58/73/561105873.db2.gz	WUINNNYVECLRBX-OAHLLOKOSA-N	-1	3	364.854	2.341	20	30		FEEDHM
CC[S@](=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2F)C1	ZINC000531408661	562444987	/nfs/dbraw/zinc/44/49/87/562444987.db2.gz	LIHQOXKIDNRRGX-SASJJMKUSA-N	-1	3	358.460	2.055	20	30		FEEDHM
CC(C)Cn1c(=O)[n-]c(=O)c2c(C(=O)NCCCC#N)cc(C3CC3)nc21	ZINC000541449740	562611989	/nfs/dbraw/zinc/61/19/89/562611989.db2.gz	PGSIXQSOIUNGFK-UHFFFAOYSA-N	-1	3	369.425	2.064	20	30		FEEDHM
CC(=O)c1ccc(C#N)c(NCc2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)c1	ZINC000541578994	562615701	/nfs/dbraw/zinc/61/57/01/562615701.db2.gz	YNOVZTUVZNQJSI-HXUWFJFHSA-N	-1	3	362.389	2.428	20	30		FEEDHM
CC(C)(O)C(C)(C)[N-]S(=O)(=O)c1cc(Br)ccc1C#N	ZINC000569324659	568383266	/nfs/dbraw/zinc/38/32/66/568383266.db2.gz	UWUAFYGNBONOPI-UHFFFAOYSA-N	-1	3	361.261	2.149	20	30		FEEDHM
Clc1cc(C=NNCc2ccc(-c3nnn[n-]3)cc2)cc2c1OCCO2	ZINC000822568207	607252914	/nfs/dbraw/zinc/25/29/14/607252914.db2.gz	NJBGHDOEAHUUDE-UHFFFAOYSA-N	-1	3	370.800	2.415	20	30		FEEDHM
Clc1cc(C=NNCc2ccc(-c3nn[n-]n3)cc2)cc2c1OCCO2	ZINC000822568207	607252915	/nfs/dbraw/zinc/25/29/15/607252915.db2.gz	NJBGHDOEAHUUDE-UHFFFAOYSA-N	-1	3	370.800	2.415	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2cnn(-c3ccccc3F)c2)cc1-c1nnn[n-]1	ZINC000737719656	598926488	/nfs/dbraw/zinc/92/64/88/598926488.db2.gz	UDZBTJNIUQKBNN-UHFFFAOYSA-N	-1	3	374.339	2.315	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2cnn(-c3ccccc3F)c2)cc1-c1nn[n-]n1	ZINC000737719656	598926489	/nfs/dbraw/zinc/92/64/89/598926489.db2.gz	UDZBTJNIUQKBNN-UHFFFAOYSA-N	-1	3	374.339	2.315	20	30		FEEDHM
C=CC[C@@H](NC(=O)COc1ccccc1-c1nnn[n-]1)c1ccncc1	ZINC000735409579	598969312	/nfs/dbraw/zinc/96/93/12/598969312.db2.gz	GDKOLDGDUKIITQ-OAHLLOKOSA-N	-1	3	350.382	2.074	20	30		FEEDHM
C=CC[C@@H](NC(=O)COc1ccccc1-c1nn[n-]n1)c1ccncc1	ZINC000735409579	598969314	/nfs/dbraw/zinc/96/93/14/598969314.db2.gz	GDKOLDGDUKIITQ-OAHLLOKOSA-N	-1	3	350.382	2.074	20	30		FEEDHM
COc1cc(-c2nnn[n-]2)ccc1OCCON=Cc1ccc(F)cc1	ZINC000737033574	598977929	/nfs/dbraw/zinc/97/79/29/598977929.db2.gz	XNZZVNGUCRQIEQ-UHFFFAOYSA-N	-1	3	357.345	2.444	20	30		FEEDHM
COc1cc(-c2nn[n-]n2)ccc1OCCON=Cc1ccc(F)cc1	ZINC000737033574	598977931	/nfs/dbraw/zinc/97/79/31/598977931.db2.gz	XNZZVNGUCRQIEQ-UHFFFAOYSA-N	-1	3	357.345	2.444	20	30		FEEDHM
N#Cc1ccc(OCCNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1	ZINC000822833597	599049362	/nfs/dbraw/zinc/04/93/62/599049362.db2.gz	SIDDDYJIILTGBR-UHFFFAOYSA-N	-1	3	351.326	2.137	20	30		FEEDHM
N#Cc1ccc(OCCNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1	ZINC000822833597	599049366	/nfs/dbraw/zinc/04/93/66/599049366.db2.gz	SIDDDYJIILTGBR-UHFFFAOYSA-N	-1	3	351.326	2.137	20	30		FEEDHM
N#CC1(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2F)CCCCC1	ZINC000737679602	599066222	/nfs/dbraw/zinc/06/62/22/599066222.db2.gz	RRSDYCFFZFBZSW-UHFFFAOYSA-N	-1	3	360.418	2.441	20	30		FEEDHM
N#CC1(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2F)CCCCC1	ZINC000737679602	599066225	/nfs/dbraw/zinc/06/62/25/599066225.db2.gz	RRSDYCFFZFBZSW-UHFFFAOYSA-N	-1	3	360.418	2.441	20	30		FEEDHM
C#CCOc1ccc(F)cc1NC(=O)COc1ccc(-c2nn[n-]n2)cc1	ZINC000735380539	599094451	/nfs/dbraw/zinc/09/44/51/599094451.db2.gz	IYCVUMIFNXATMK-UHFFFAOYSA-N	-1	3	367.340	2.035	20	30		FEEDHM
N#Cc1cc(NC(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)ccc1-c1nnn[n-]1	ZINC000737706385	599198172	/nfs/dbraw/zinc/19/81/72/599198172.db2.gz	XMVKETIVODEIDT-FOSCPWQOSA-N	-1	3	350.382	2.072	20	30		FEEDHM
N#Cc1cc(NC(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)ccc1-c1nn[n-]n1	ZINC000737706385	599198174	/nfs/dbraw/zinc/19/81/74/599198174.db2.gz	XMVKETIVODEIDT-FOSCPWQOSA-N	-1	3	350.382	2.072	20	30		FEEDHM
N#Cc1ccc(CN2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)cc1	ZINC000737711152	598235235	/nfs/dbraw/zinc/23/52/35/598235235.db2.gz	FGXUXDRUHCCWCG-UHFFFAOYSA-N	-1	3	363.400	2.200	20	30		FEEDHM
CCC(CC)CN(CCC#N)C(=O)CNc1ccc(-c2nn[n-]n2)cc1	ZINC000736336199	598239305	/nfs/dbraw/zinc/23/93/05/598239305.db2.gz	ANUKQRWGMNIICB-UHFFFAOYSA-N	-1	3	355.446	2.457	20	30		FEEDHM
C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N(CCC#N)CC(C)(C)C	ZINC000736166478	598241756	/nfs/dbraw/zinc/24/17/56/598241756.db2.gz	AMXPIVNAXBZXGM-CYBMUJFWSA-N	-1	3	356.430	2.422	20	30		FEEDHM
N#Cc1ccc(N2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)c(F)c1	ZINC000737718272	598245801	/nfs/dbraw/zinc/24/58/01/598245801.db2.gz	NDDLGMIEXIOUNK-UHFFFAOYSA-N	-1	3	367.363	2.343	20	30		FEEDHM
CN(CCC#N)C(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1	ZINC000736793372	598330408	/nfs/dbraw/zinc/33/04/08/598330408.db2.gz	WNSPGUFVEUCXEE-UHFFFAOYSA-N	-1	3	352.354	2.024	20	30		FEEDHM
CN(CCC#N)C(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1	ZINC000736793372	598330410	/nfs/dbraw/zinc/33/04/10/598330410.db2.gz	WNSPGUFVEUCXEE-UHFFFAOYSA-N	-1	3	352.354	2.024	20	30		FEEDHM
C=C1CCN([C@@H](C)C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)CC1	ZINC000735403452	598504314	/nfs/dbraw/zinc/50/43/14/598504314.db2.gz	WIIZCYYWFLBAAI-NSHDSACASA-N	-1	3	358.471	2.396	20	30		FEEDHM
C=C1CCN([C@@H](C)C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)CC1	ZINC000735403452	598504316	/nfs/dbraw/zinc/50/43/16/598504316.db2.gz	WIIZCYYWFLBAAI-NSHDSACASA-N	-1	3	358.471	2.396	20	30		FEEDHM
O=C(NCC#Cc1ccccc1)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1	ZINC000738040118	598579997	/nfs/dbraw/zinc/57/99/97/598579997.db2.gz	SUVLNTIPEXFNSR-IBGZPJMESA-N	-1	3	372.432	2.003	20	30		FEEDHM
N#Cc1ccc(N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)cc1Cl	ZINC000737717587	598656964	/nfs/dbraw/zinc/65/69/64/598656964.db2.gz	GPDPCMKOQFCVCE-UHFFFAOYSA-N	-1	3	366.816	2.113	20	30		FEEDHM
N#Cc1ccc(N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)cc1Cl	ZINC000737717587	598656966	/nfs/dbraw/zinc/65/69/66/598656966.db2.gz	GPDPCMKOQFCVCE-UHFFFAOYSA-N	-1	3	366.816	2.113	20	30		FEEDHM
CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(-c2nnn[n-]2)cn1	ZINC000735734821	598662795	/nfs/dbraw/zinc/66/27/95/598662795.db2.gz	JTNZEMVGWHLXHT-INIZCTEOSA-N	-1	3	363.381	2.175	20	30		FEEDHM
CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(-c2nn[n-]n2)cn1	ZINC000735734821	598662796	/nfs/dbraw/zinc/66/27/96/598662796.db2.gz	JTNZEMVGWHLXHT-INIZCTEOSA-N	-1	3	363.381	2.175	20	30		FEEDHM
CON=Cc1ccc(C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)cc1	ZINC000737024590	598701705	/nfs/dbraw/zinc/70/17/05/598701705.db2.gz	UJZRHWOXZNXCNZ-UHFFFAOYSA-N	-1	3	355.329	2.343	20	30		FEEDHM
CON=Cc1ccc(C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)cc1	ZINC000737024590	598701707	/nfs/dbraw/zinc/70/17/07/598701707.db2.gz	UJZRHWOXZNXCNZ-UHFFFAOYSA-N	-1	3	355.329	2.343	20	30		FEEDHM
C=CCOc1ccccc1CNC(=O)NCc1ccc(-c2nnn[n-]2)cc1	ZINC000735437061	598714528	/nfs/dbraw/zinc/71/45/28/598714528.db2.gz	WKCWOMKPKOQDLL-UHFFFAOYSA-N	-1	3	364.409	2.431	20	30		FEEDHM
C=CCOc1ccccc1CNC(=O)NCc1ccc(-c2nn[n-]n2)cc1	ZINC000735437061	598714530	/nfs/dbraw/zinc/71/45/30/598714530.db2.gz	WKCWOMKPKOQDLL-UHFFFAOYSA-N	-1	3	364.409	2.431	20	30		FEEDHM
Cc1ccc(C#N)c(NCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)n1	ZINC000557662364	674459831	/nfs/dbraw/zinc/45/98/31/674459831.db2.gz	MMAIBJZLADVFNV-UHFFFAOYSA-N	-1	3	368.821	2.445	20	30		FEEDHM
N#Cc1ccc(Cl)cc1N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1	ZINC000737719537	599402921	/nfs/dbraw/zinc/40/29/21/599402921.db2.gz	WDRSNSRJBPPUAS-UHFFFAOYSA-N	-1	3	366.816	2.113	20	30		FEEDHM
N#Cc1ccc(Cl)cc1N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1	ZINC000737719537	599402923	/nfs/dbraw/zinc/40/29/23/599402923.db2.gz	WDRSNSRJBPPUAS-UHFFFAOYSA-N	-1	3	366.816	2.113	20	30		FEEDHM
C[C@@H](NC(=O)NCc1ccc(C#N)cc1F)c1cccc(-c2nnn[n-]2)c1	ZINC000820374023	599484332	/nfs/dbraw/zinc/48/43/32/599484332.db2.gz	MASDAYIZOCGZNW-LLVKDONJSA-N	-1	3	365.372	2.438	20	30		FEEDHM
C[C@@H](NC(=O)NCc1ccc(C#N)cc1F)c1cccc(-c2nn[n-]n2)c1	ZINC000820374023	599484335	/nfs/dbraw/zinc/48/43/35/599484335.db2.gz	MASDAYIZOCGZNW-LLVKDONJSA-N	-1	3	365.372	2.438	20	30		FEEDHM
C#CCSCCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1	ZINC000819709512	599568252	/nfs/dbraw/zinc/56/82/52/599568252.db2.gz	HPZQBSBBKTVDSK-UHFFFAOYSA-N	-1	3	355.383	2.101	20	30		FEEDHM
C#CCSCCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1	ZINC000819709512	599568255	/nfs/dbraw/zinc/56/82/55/599568255.db2.gz	HPZQBSBBKTVDSK-UHFFFAOYSA-N	-1	3	355.383	2.101	20	30		FEEDHM
CC(C)Oc1ccc(NC(=O)N2CCC(C#N)CC2)cc1-c1nnn[n-]1	ZINC000820165873	607430623	/nfs/dbraw/zinc/43/06/23/607430623.db2.gz	QYDZUQASUNVELJ-UHFFFAOYSA-N	-1	3	355.402	2.421	20	30		FEEDHM
CC(C)Oc1ccc(NC(=O)N2CCC(C#N)CC2)cc1-c1nn[n-]n1	ZINC000820165873	607430624	/nfs/dbraw/zinc/43/06/24/607430624.db2.gz	QYDZUQASUNVELJ-UHFFFAOYSA-N	-1	3	355.402	2.421	20	30		FEEDHM
Fc1ccc(NC(=S)NN=Cc2ccc(-c3nnn[n-]3)cc2F)cc1	ZINC000822778283	607464003	/nfs/dbraw/zinc/46/40/03/607464003.db2.gz	HDOCVXAHFOCBAK-UHFFFAOYSA-N	-1	3	359.365	2.465	20	30		FEEDHM
Fc1ccc(NC(=S)NN=Cc2ccc(-c3nn[n-]n3)cc2F)cc1	ZINC000822778283	607464004	/nfs/dbraw/zinc/46/40/04/607464004.db2.gz	HDOCVXAHFOCBAK-UHFFFAOYSA-N	-1	3	359.365	2.465	20	30		FEEDHM
CCN(CC)c1ccnc(N=NCc2ccc(-c3nnn[n-]3)cc2F)n1	ZINC000821198396	607465226	/nfs/dbraw/zinc/46/52/26/607465226.db2.gz	TZZMENRYTXTIJP-UHFFFAOYSA-N	-1	3	355.381	2.088	20	30		FEEDHM
CCN(CC)c1ccnc(N=NCc2ccc(-c3nn[n-]n3)cc2F)n1	ZINC000821198396	607465228	/nfs/dbraw/zinc/46/52/28/607465228.db2.gz	TZZMENRYTXTIJP-UHFFFAOYSA-N	-1	3	355.381	2.088	20	30		FEEDHM
CS(=O)(=O)Cc1cccc(CN[C@H](C(=O)[O-])c2cccc(C#N)c2)c1	ZINC000832681516	601304284	/nfs/dbraw/zinc/30/42/84/601304284.db2.gz	BEASHYUYPLOQSA-KRWDZBQOSA-N	-1	3	358.419	2.018	20	30		FEEDHM
C=C(C)CN1CCC(NC(=O)N2CCC[C@H](CN(C)C(=O)[O-])C2)CC1	ZINC000738486008	602680015	/nfs/dbraw/zinc/68/00/15/602680015.db2.gz	YOTGGWYBFNVMPJ-OAHLLOKOSA-N	-1	3	352.479	2.058	20	30		FEEDHM
COc1ccc(CNC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1C#N	ZINC000826200380	607620574	/nfs/dbraw/zinc/62/05/74/607620574.db2.gz	MSVXYOHWFIOUTK-UHFFFAOYSA-N	-1	3	367.344	2.208	20	30		FEEDHM
COc1ccc(CNC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc1C#N	ZINC000826200380	607620575	/nfs/dbraw/zinc/62/05/75/607620575.db2.gz	MSVXYOHWFIOUTK-UHFFFAOYSA-N	-1	3	367.344	2.208	20	30		FEEDHM
COc1ccccc1[C@H](CNCc1cnc2ccc(C#N)cn12)NC(=O)[O-]	ZINC000739959447	603305493	/nfs/dbraw/zinc/30/54/93/603305493.db2.gz	BNMSKUTYLCFUMB-INIZCTEOSA-N	-1	3	365.393	2.313	20	30		FEEDHM
C=C(C)CN1CCC(NC(=O)N2CCC[C@@H]([C@@H](C)NC(=O)[O-])C2)CC1	ZINC000823481032	604141519	/nfs/dbraw/zinc/14/15/19/604141519.db2.gz	VWJMGOAPYVCODL-HUUCEWRRSA-N	-1	3	352.479	2.105	20	30		FEEDHM
N#CC(C(=O)C[C@@H](Cc1ccccc1)NC(=O)[O-])C(=O)NC1CCCCC1	ZINC000831066134	604222687	/nfs/dbraw/zinc/22/26/87/604222687.db2.gz	VDPPSXKSQOGFNZ-IAGOWNOFSA-N	-1	3	371.437	2.413	20	30		FEEDHM
N#Cc1cc(-c2nnn[n-]2)c(N)nc1SCc1nc(C2CCCC2)no1	ZINC000826383814	607710661	/nfs/dbraw/zinc/71/06/61/607710661.db2.gz	RJLLUQLWAMPYTR-UHFFFAOYSA-N	-1	3	369.414	2.048	20	30		FEEDHM
N#Cc1cc(-c2nn[n-]n2)c(N)nc1SCc1nc(C2CCCC2)no1	ZINC000826383814	607710663	/nfs/dbraw/zinc/71/06/63/607710663.db2.gz	RJLLUQLWAMPYTR-UHFFFAOYSA-N	-1	3	369.414	2.048	20	30		FEEDHM
N#Cc1cc(-c2nnn[n-]2)c(SCc2nc(C3CCCC3)no2)nc1N	ZINC000826383748	607710667	/nfs/dbraw/zinc/71/06/67/607710667.db2.gz	OIEVKHFJRXRUKZ-UHFFFAOYSA-N	-1	3	369.414	2.048	20	30		FEEDHM
N#Cc1cc(-c2nn[n-]n2)c(SCc2nc(C3CCCC3)no2)nc1N	ZINC000826383748	607710669	/nfs/dbraw/zinc/71/06/69/607710669.db2.gz	OIEVKHFJRXRUKZ-UHFFFAOYSA-N	-1	3	369.414	2.048	20	30		FEEDHM
CCOC(=O)Nc1ccc(NC(=O)C2(C#N)CCC2)cc1-c1nnn[n-]1	ZINC000825530739	607760817	/nfs/dbraw/zinc/76/08/17/607760817.db2.gz	DVFSTSVSQFJPLG-UHFFFAOYSA-N	-1	3	355.358	2.067	20	30		FEEDHM
CCOC(=O)Nc1ccc(NC(=O)C2(C#N)CCC2)cc1-c1nn[n-]n1	ZINC000825530739	607760818	/nfs/dbraw/zinc/76/08/18/607760818.db2.gz	DVFSTSVSQFJPLG-UHFFFAOYSA-N	-1	3	355.358	2.067	20	30		FEEDHM
N#C[C@H](c1ccccc1)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1	ZINC000822801890	606073100	/nfs/dbraw/zinc/07/31/00/606073100.db2.gz	QFFNXUAFEFKWLM-LJQANCHMSA-N	-1	3	359.437	2.249	20	30		FEEDHM
COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)O[C@H](C#N)C(C)C	ZINC000821701271	606205509	/nfs/dbraw/zinc/20/55/09/606205509.db2.gz	IPVJSHNJUBVNGR-OAHLLOKOSA-N	-1	3	359.386	2.126	20	30		FEEDHM
COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)O[C@H](C#N)C(C)C	ZINC000821701271	606205511	/nfs/dbraw/zinc/20/55/11/606205511.db2.gz	IPVJSHNJUBVNGR-OAHLLOKOSA-N	-1	3	359.386	2.126	20	30		FEEDHM
N#C[C@@H]1CCC[C@H]1NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1	ZINC000822802361	606301529	/nfs/dbraw/zinc/30/15/29/606301529.db2.gz	ZPUQREQSHJLHMJ-GOEBONIOSA-N	-1	3	354.414	2.224	20	30		FEEDHM
N#C[C@@H]1CCC[C@H]1NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1	ZINC000822802361	606301531	/nfs/dbraw/zinc/30/15/31/606301531.db2.gz	ZPUQREQSHJLHMJ-GOEBONIOSA-N	-1	3	354.414	2.224	20	30		FEEDHM
COC(=O)COc1ccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)cc1	ZINC000821662647	606305088	/nfs/dbraw/zinc/30/50/88/606305088.db2.gz	LWCYIQJLNRKIAU-SREVYHEPSA-N	-1	3	370.390	2.376	20	30		FEEDHM
COC(=O)COc1ccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)cc1	ZINC000821662647	606305090	/nfs/dbraw/zinc/30/50/90/606305090.db2.gz	LWCYIQJLNRKIAU-SREVYHEPSA-N	-1	3	370.390	2.376	20	30		FEEDHM
C=CC[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1	ZINC000819733974	606342015	/nfs/dbraw/zinc/34/20/15/606342015.db2.gz	GLLMBQYGRRRCIG-QMMMGPOBSA-N	-1	3	361.349	2.128	20	30		FEEDHM
C=CC[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1	ZINC000819733974	606342016	/nfs/dbraw/zinc/34/20/16/606342016.db2.gz	GLLMBQYGRRRCIG-QMMMGPOBSA-N	-1	3	361.349	2.128	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)cc2Cl)cc1	ZINC000822833004	606378909	/nfs/dbraw/zinc/37/89/09/606378909.db2.gz	LTJMCDYUZWYFMF-UHFFFAOYSA-N	-1	3	361.770	2.159	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)cc2Cl)cc1	ZINC000822833004	606378910	/nfs/dbraw/zinc/37/89/10/606378910.db2.gz	LTJMCDYUZWYFMF-UHFFFAOYSA-N	-1	3	361.770	2.159	20	30		FEEDHM
C[C@H](C#N)CNC(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1	ZINC000819845238	606476073	/nfs/dbraw/zinc/47/60/73/606476073.db2.gz	SCOSYHLIBNNUIO-SNVBAGLBSA-N	-1	3	368.426	2.195	20	30		FEEDHM
C[C@H](C#N)CNC(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1	ZINC000819845238	606476074	/nfs/dbraw/zinc/47/60/74/606476074.db2.gz	SCOSYHLIBNNUIO-SNVBAGLBSA-N	-1	3	368.426	2.195	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@]1(C)CCCO1	ZINC000819744187	606719470	/nfs/dbraw/zinc/71/94/70/606719470.db2.gz	ZKQKZINUGORGTL-SFHVURJKSA-N	-1	3	356.430	2.133	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@]1(C)CCCO1	ZINC000819744187	606719472	/nfs/dbraw/zinc/71/94/72/606719472.db2.gz	ZKQKZINUGORGTL-SFHVURJKSA-N	-1	3	356.430	2.133	20	30		FEEDHM
C=CCN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1	ZINC000819746050	606841598	/nfs/dbraw/zinc/84/15/98/606841598.db2.gz	YUCQKDXKKHGCST-UHFFFAOYSA-N	-1	3	373.413	2.383	20	30		FEEDHM
CN(C(=O)COc1ccc(C#N)cc1)c1cc(Cl)ccc1-c1nnn[n-]1	ZINC000821570893	606962906	/nfs/dbraw/zinc/96/29/06/606962906.db2.gz	PUWPNCGJYLTYSI-UHFFFAOYSA-N	-1	3	368.784	2.434	20	30		FEEDHM
CN(C(=O)COc1ccc(C#N)cc1)c1cc(Cl)ccc1-c1nn[n-]n1	ZINC000821570893	606962909	/nfs/dbraw/zinc/96/29/09/606962909.db2.gz	PUWPNCGJYLTYSI-UHFFFAOYSA-N	-1	3	368.784	2.434	20	30		FEEDHM
C=CCNc1nc(C(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)cs1	ZINC000819751131	606991430	/nfs/dbraw/zinc/99/14/30/606991430.db2.gz	QVVZDKWSVBHRPU-UHFFFAOYSA-N	-1	3	360.374	2.417	20	30		FEEDHM
C=CCNc1nc(C(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)cs1	ZINC000819751131	606991431	/nfs/dbraw/zinc/99/14/31/606991431.db2.gz	QVVZDKWSVBHRPU-UHFFFAOYSA-N	-1	3	360.374	2.417	20	30		FEEDHM
COc1cccc2c1CC(=Cc1cnc3ccc(-c4nnn[n-]4)cn13)C2=O	ZINC000821877631	607111604	/nfs/dbraw/zinc/11/16/04/607111604.db2.gz	OCIRFPIUHCGHQU-KPKJPENVSA-N	-1	3	358.361	2.345	20	30		FEEDHM
COc1cccc2c1CC(=Cc1cnc3ccc(-c4nn[n-]n4)cn13)C2=O	ZINC000821877631	607111606	/nfs/dbraw/zinc/11/16/06/607111606.db2.gz	OCIRFPIUHCGHQU-KPKJPENVSA-N	-1	3	358.361	2.345	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H](C)C[C@@H]1CCOC1	ZINC000819744119	607144960	/nfs/dbraw/zinc/14/49/60/607144960.db2.gz	XBCXQNFIELYPNK-ZBFHGGJFSA-N	-1	3	370.457	2.379	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H](C)C[C@@H]1CCOC1	ZINC000819744119	607144962	/nfs/dbraw/zinc/14/49/62/607144962.db2.gz	XBCXQNFIELYPNK-ZBFHGGJFSA-N	-1	3	370.457	2.379	20	30		FEEDHM
S=C(NN=Cc1c[nH]c2ccc(-c3nnn[n-]3)cc12)NC1CCCCC1	ZINC000823732918	607146199	/nfs/dbraw/zinc/14/61/99/607146199.db2.gz	PXGBAGXERXTOSS-UHFFFAOYSA-N	-1	3	368.470	2.479	20	30		FEEDHM
S=C(NN=Cc1c[nH]c2ccc(-c3nn[n-]n3)cc12)NC1CCCCC1	ZINC000823732918	607146201	/nfs/dbraw/zinc/14/62/01/607146201.db2.gz	PXGBAGXERXTOSS-UHFFFAOYSA-N	-1	3	368.470	2.479	20	30		FEEDHM
Cc1cc(-c2nn[n-]n2)ccc1OC[C@@H](O)COc1ccc(CC#N)cc1	ZINC000826255108	607875689	/nfs/dbraw/zinc/87/56/89/607875689.db2.gz	LWCVGNDCBDWUQI-INIZCTEOSA-N	-1	3	365.393	2.060	20	30		FEEDHM
C=C(C)[C@@H](CC(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1)OCC	ZINC000823872999	607920242	/nfs/dbraw/zinc/92/02/42/607920242.db2.gz	GJCJFFTXWDTUNV-SWLSCSKDSA-N	-1	3	373.413	2.108	20	30		FEEDHM
C=C(C)[C@@H](CC(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1)OCC	ZINC000823872999	607920243	/nfs/dbraw/zinc/92/02/43/607920243.db2.gz	GJCJFFTXWDTUNV-SWLSCSKDSA-N	-1	3	373.413	2.108	20	30		FEEDHM
N#Cc1cc(F)c(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)c(F)c1	ZINC000826384054	607946622	/nfs/dbraw/zinc/94/66/22/607946622.db2.gz	DVOLRRMFLDMHJF-UHFFFAOYSA-N	-1	3	352.304	2.219	20	30		FEEDHM
N#Cc1cc(F)c(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)c(F)c1	ZINC000826384054	607946623	/nfs/dbraw/zinc/94/66/23/607946623.db2.gz	DVOLRRMFLDMHJF-UHFFFAOYSA-N	-1	3	352.304	2.219	20	30		FEEDHM
C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21	ZINC000824739119	607951356	/nfs/dbraw/zinc/95/13/56/607951356.db2.gz	VIUIHYOKTRIFNB-LBPRGKRZSA-N	-1	3	360.377	2.095	20	30		FEEDHM
C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21	ZINC000824739119	607951357	/nfs/dbraw/zinc/95/13/57/607951357.db2.gz	VIUIHYOKTRIFNB-LBPRGKRZSA-N	-1	3	360.377	2.095	20	30		FEEDHM
CCOC(=O)[C@@H]1CCC(=NNCc2ccc(-c3nnn[n-]3)cc2)C[C@H]1C	ZINC000825499311	607965014	/nfs/dbraw/zinc/96/50/14/607965014.db2.gz	KEFFKJHWGLXKCO-MLGOLLRUSA-N	-1	3	356.430	2.312	20	30		FEEDHM
CCOC(=O)[C@@H]1CCC(=NNCc2ccc(-c3nn[n-]n3)cc2)C[C@H]1C	ZINC000825499311	607965015	/nfs/dbraw/zinc/96/50/15/607965015.db2.gz	KEFFKJHWGLXKCO-MLGOLLRUSA-N	-1	3	356.430	2.312	20	30		FEEDHM
CCCC(C#N)(CCC)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C	ZINC000825224654	608011939	/nfs/dbraw/zinc/01/19/39/608011939.db2.gz	AIMKLQUZOHBWGG-UHFFFAOYSA-N	-1	3	362.459	2.316	20	30		FEEDHM
CCCC(C#N)(CCC)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C	ZINC000825224654	608011940	/nfs/dbraw/zinc/01/19/40/608011940.db2.gz	AIMKLQUZOHBWGG-UHFFFAOYSA-N	-1	3	362.459	2.316	20	30		FEEDHM
COCCOc1ccc(-c2nnn[n-]2)cc1NCc1ccc(C#N)s1	ZINC000826162305	608135569	/nfs/dbraw/zinc/13/55/69/608135569.db2.gz	WKWIMSOEDGXXQT-UHFFFAOYSA-N	-1	3	356.411	2.437	20	30		FEEDHM
COCCOc1ccc(-c2nn[n-]n2)cc1NCc1ccc(C#N)s1	ZINC000826162305	608135570	/nfs/dbraw/zinc/13/55/70/608135570.db2.gz	WKWIMSOEDGXXQT-UHFFFAOYSA-N	-1	3	356.411	2.437	20	30		FEEDHM
COc1cc(-c2nnn[n-]2)ccc1CSc1nc(C)nc(C)c1C#N	ZINC000826173670	608263355	/nfs/dbraw/zinc/26/33/55/608263355.db2.gz	PAQDWYZQGZTEMQ-UHFFFAOYSA-N	-1	3	353.411	2.446	20	30		FEEDHM
COc1cc(-c2nn[n-]n2)ccc1CSc1nc(C)nc(C)c1C#N	ZINC000826173670	608263357	/nfs/dbraw/zinc/26/33/57/608263357.db2.gz	PAQDWYZQGZTEMQ-UHFFFAOYSA-N	-1	3	353.411	2.446	20	30		FEEDHM
Cc1ccc(C#N)c(N2CCCN(c3ccccc3-c3nnn[n-]3)CC2)n1	ZINC000826281319	608274870	/nfs/dbraw/zinc/27/48/70/608274870.db2.gz	MKCMERJBJJZUDC-UHFFFAOYSA-N	-1	3	360.425	2.159	20	30		FEEDHM
Cc1ccc(C#N)c(N2CCCN(c3ccccc3-c3nn[n-]n3)CC2)n1	ZINC000826281319	608274872	/nfs/dbraw/zinc/27/48/72/608274872.db2.gz	MKCMERJBJJZUDC-UHFFFAOYSA-N	-1	3	360.425	2.159	20	30		FEEDHM
CC(C)(C)OC(=O)N[C@@H]1CCCC1=NNCc1ccc(-c2nnn[n-]2)cc1	ZINC000824108402	608289152	/nfs/dbraw/zinc/28/91/52/608289152.db2.gz	FLPNKQOGYSLODF-CQSZACIVSA-N	-1	3	371.445	2.390	20	30		FEEDHM
CC(C)(C)OC(=O)N[C@@H]1CCCC1=NNCc1ccc(-c2nn[n-]n2)cc1	ZINC000824108402	608289154	/nfs/dbraw/zinc/28/91/54/608289154.db2.gz	FLPNKQOGYSLODF-CQSZACIVSA-N	-1	3	371.445	2.390	20	30		FEEDHM
N#Cc1cc(C#N)c(SCc2cccc(-c3nnn[n-]3)c2F)nc1N	ZINC000826383753	608394364	/nfs/dbraw/zinc/39/43/64/608394364.db2.gz	OLKSPYNZKDXTGT-UHFFFAOYSA-N	-1	3	352.358	2.019	20	30		FEEDHM
N#Cc1cc(C#N)c(SCc2cccc(-c3nn[n-]n3)c2F)nc1N	ZINC000826383753	608394365	/nfs/dbraw/zinc/39/43/65/608394365.db2.gz	OLKSPYNZKDXTGT-UHFFFAOYSA-N	-1	3	352.358	2.019	20	30		FEEDHM
N#Cc1cccc([C@@H]2CN(Cc3cccc(-c4nnn[n-]4)c3F)CCO2)c1	ZINC000826386395	608418952	/nfs/dbraw/zinc/41/89/52/608418952.db2.gz	BXXGMYAYNCZJIV-KRWDZBQOSA-N	-1	3	364.384	2.451	20	30		FEEDHM
N#Cc1cccc([C@@H]2CN(Cc3cccc(-c4nn[n-]n4)c3F)CCO2)c1	ZINC000826386395	608418954	/nfs/dbraw/zinc/41/89/54/608418954.db2.gz	BXXGMYAYNCZJIV-KRWDZBQOSA-N	-1	3	364.384	2.451	20	30		FEEDHM
C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCc1cccc(C#N)c1F	ZINC000824754611	608441459	/nfs/dbraw/zinc/44/14/59/608441459.db2.gz	ISISEWMKYJXATP-LLVKDONJSA-N	-1	3	367.340	2.388	20	30		FEEDHM
C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OCc1cccc(C#N)c1F	ZINC000824754611	608441461	/nfs/dbraw/zinc/44/14/61/608441461.db2.gz	ISISEWMKYJXATP-LLVKDONJSA-N	-1	3	367.340	2.388	20	30		FEEDHM
C=CCOc1cccnc1C(=O)OCc1ccc(F)cc1-c1nnn[n-]1	ZINC000823931645	608457071	/nfs/dbraw/zinc/45/70/71/608457071.db2.gz	CLENBCINFOVAGA-UHFFFAOYSA-N	-1	3	355.329	2.323	20	30		FEEDHM
C=CCOc1cccnc1C(=O)OCc1ccc(F)cc1-c1nn[n-]n1	ZINC000823931645	608457072	/nfs/dbraw/zinc/45/70/72/608457072.db2.gz	CLENBCINFOVAGA-UHFFFAOYSA-N	-1	3	355.329	2.323	20	30		FEEDHM
N#CCCN(Cc1cccnc1)C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1	ZINC000826381462	608577471	/nfs/dbraw/zinc/57/74/71/608577471.db2.gz	MSOLGSDXGHKXTR-UHFFFAOYSA-N	-1	3	367.800	2.471	20	30		FEEDHM
N#CCCN(Cc1cccnc1)C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1	ZINC000826381462	608577473	/nfs/dbraw/zinc/57/74/73/608577473.db2.gz	MSOLGSDXGHKXTR-UHFFFAOYSA-N	-1	3	367.800	2.471	20	30		FEEDHM
Cc1ccc(-c2nnn[n-]2)c(NCc2nc(-c3cccc(C#N)c3)c[nH]2)n1	ZINC000826277543	609166352	/nfs/dbraw/zinc/16/63/52/609166352.db2.gz	XPHMXIIZWKOUKS-UHFFFAOYSA-N	-1	3	357.381	2.444	20	30		FEEDHM
Cc1ccc(-c2nn[n-]n2)c(NCc2nc(-c3cccc(C#N)c3)c[nH]2)n1	ZINC000826277543	609166354	/nfs/dbraw/zinc/16/63/54/609166354.db2.gz	XPHMXIIZWKOUKS-UHFFFAOYSA-N	-1	3	357.381	2.444	20	30		FEEDHM
Cc1cc(C(=O)N(CCC#N)C(C)C)nn1-c1cccc(-c2nnn[n-]2)c1	ZINC000826257817	609218142	/nfs/dbraw/zinc/21/81/42/609218142.db2.gz	PMAIRAWKRZROEC-UHFFFAOYSA-N	-1	3	364.413	2.125	20	30		FEEDHM
Cc1cc(C(=O)N(CCC#N)C(C)C)nn1-c1cccc(-c2nn[n-]n2)c1	ZINC000826257817	609218144	/nfs/dbraw/zinc/21/81/44/609218144.db2.gz	PMAIRAWKRZROEC-UHFFFAOYSA-N	-1	3	364.413	2.125	20	30		FEEDHM
CCOC(=O)Nc1ccc(NC(=O)NCC(C)(C)C#N)cc1-c1nnn[n-]1	ZINC000825538747	609405302	/nfs/dbraw/zinc/40/53/02/609405302.db2.gz	JSKRJXRRJURHQP-UHFFFAOYSA-N	-1	3	372.389	2.106	20	30		FEEDHM
CCOC(=O)Nc1ccc(NC(=O)NCC(C)(C)C#N)cc1-c1nn[n-]n1	ZINC000825538747	609405304	/nfs/dbraw/zinc/40/53/04/609405304.db2.gz	JSKRJXRRJURHQP-UHFFFAOYSA-N	-1	3	372.389	2.106	20	30		FEEDHM
COC(=O)COc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1	ZINC000826138387	609442163	/nfs/dbraw/zinc/44/21/63/609442163.db2.gz	SDYLZEWQLXKMSK-NYYWCZLTSA-N	-1	3	364.361	2.315	20	30		FEEDHM
COC(=O)COc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1	ZINC000826138387	609442164	/nfs/dbraw/zinc/44/21/64/609442164.db2.gz	SDYLZEWQLXKMSK-NYYWCZLTSA-N	-1	3	364.361	2.315	20	30		FEEDHM
N#C[C@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1cccc(C(F)(F)F)c1	ZINC000826380256	609459640	/nfs/dbraw/zinc/45/96/40/609459640.db2.gz	SMXCVGGSEHHGOJ-LBPRGKRZSA-N	-1	3	361.287	2.208	20	30		FEEDHM
N#C[C@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1cccc(C(F)(F)F)c1	ZINC000826380256	609459641	/nfs/dbraw/zinc/45/96/41/609459641.db2.gz	SMXCVGGSEHHGOJ-LBPRGKRZSA-N	-1	3	361.287	2.208	20	30		FEEDHM
C#CCCCCCC(=O)O[C@@H](C(=O)OC)c1ccc(-c2nnn[n-]2)cc1	ZINC000823840778	609641042	/nfs/dbraw/zinc/64/10/42/609641042.db2.gz	FUDNJHSZNGYEOL-MRXNPFEDSA-N	-1	3	356.382	2.208	20	30		FEEDHM
C#CCCCCCC(=O)O[C@@H](C(=O)OC)c1ccc(-c2nn[n-]n2)cc1	ZINC000823840778	609641044	/nfs/dbraw/zinc/64/10/44/609641044.db2.gz	FUDNJHSZNGYEOL-MRXNPFEDSA-N	-1	3	356.382	2.208	20	30		FEEDHM
CN(C)[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)o1)c1ccc(Cl)cc1	ZINC000561511440	674673702	/nfs/dbraw/zinc/67/37/02/674673702.db2.gz	MVJIRDXFKFWUCQ-AWEZNQCLSA-N	-1	3	353.831	2.386	20	30		FEEDHM
C=CC[C@@H]1N(C(=O)C[N-]S(=O)(=O)c2c(C)noc2C)CCCC1(C)C	ZINC000562200204	674728882	/nfs/dbraw/zinc/72/88/82/674728882.db2.gz	ACDIMWDEYMGAIO-AWEZNQCLSA-N	-1	3	369.487	2.163	20	30		FEEDHM
CC(C)(CCC#N)CNC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1	ZINC000562885534	674819697	/nfs/dbraw/zinc/81/96/97/674819697.db2.gz	CCUBLZHBNSDLJS-UHFFFAOYSA-N	-1	3	363.892	2.126	20	30		FEEDHM
N#CC1CCC(C[N-]S(=O)(=O)c2ccc(Cl)c3nonc32)CC1	ZINC000814392497	674840385	/nfs/dbraw/zinc/84/03/85/674840385.db2.gz	QEWHZWYFQXJHBR-UHFFFAOYSA-N	-1	3	354.819	2.484	20	30		FEEDHM
Cc1nccc(C=Nn2c(=S)[n-]nc2[C@@H]2COc3ccccc3O2)n1	ZINC000814741868	674877918	/nfs/dbraw/zinc/87/79/18/674877918.db2.gz	SBNRPPBHWVNXSQ-AWEZNQCLSA-N	-1	3	354.395	2.060	20	30		FEEDHM
O=C(COc1ccc(-c2ccccc2)cc1Cl)N[C@@H]1CCN([O-])C1=O	ZINC000816693131	675073270	/nfs/dbraw/zinc/07/32/70/675073270.db2.gz	CPNDMCASSDYSIZ-OAHLLOKOSA-N	-1	3	360.797	2.492	20	30		FEEDHM
C[C@@H](Cc1ccc(Br)cc1)C(=O)N[C@H]1CCCN([O-])C1=O	ZINC000816759295	675078205	/nfs/dbraw/zinc/07/82/05/675078205.db2.gz	JVGOPVIQVKGGNI-GWCFXTLKSA-N	-1	3	355.232	2.124	20	30		FEEDHM
C=CC[C@H](CO)C[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F	ZINC000573275581	671102706	/nfs/dbraw/zinc/10/27/06/671102706.db2.gz	UPXDBYDXAUKHNE-VIFPVBQESA-N	-1	3	357.325	2.187	20	30		FEEDHM
N#CC1(CS(=O)(=O)[N-][C@@H]([C@H]2CCCO2)C2(CO)CCC2)CCCCC1	ZINC000581636721	671920301	/nfs/dbraw/zinc/92/03/01/671920301.db2.gz	MWQYKJUUWGMIIM-CVEARBPZSA-N	-1	3	370.515	2.090	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)CCSC)ccc1F	ZINC000134304535	672122456	/nfs/dbraw/zinc/12/24/56/672122456.db2.gz	MBYYOFBKTUGWBO-NSHDSACASA-N	-1	3	360.476	2.161	20	30		FEEDHM
Cc1nc([C@@](C)([N-]S(=O)(=O)Cc2ccc(C#N)cc2F)C2CC2)no1	ZINC000590092676	672559206	/nfs/dbraw/zinc/55/92/06/672559206.db2.gz	VIXLJEPSBFDDSD-INIZCTEOSA-N	-1	3	364.402	2.134	20	30		FEEDHM
CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)CC1(OC)CCOCC1	ZINC000593204720	672891131	/nfs/dbraw/zinc/89/11/31/672891131.db2.gz	ARNPPRANJLRJHA-UHFFFAOYSA-N	-1	3	367.471	2.317	20	30		FEEDHM
CN(C)CCn1nccc1[N-]S(=O)(=O)c1ccc(C(C)(C)C#N)cc1	ZINC000593279940	672901725	/nfs/dbraw/zinc/90/17/25/672901725.db2.gz	FPJZQPHMSOYUGI-UHFFFAOYSA-N	-1	3	361.471	2.047	20	30		FEEDHM
Cc1c(C(=O)NCc2nc(C(F)(F)F)n[n-]2)cnn1C1CCOCC1	ZINC000330160547	673086388	/nfs/dbraw/zinc/08/63/88/673086388.db2.gz	SBAJMOPURHJGJE-UHFFFAOYSA-N	-1	3	358.324	2.185	20	30		FEEDHM
N#Cc1cc(S(=O)(=O)[N-][C@H](C[C@@H]2CCCO2)C(F)(F)F)ccc1F	ZINC000594488732	673091867	/nfs/dbraw/zinc/09/18/67/673091867.db2.gz	VICLQAAMSUFHJQ-GXFFZTMASA-N	-1	3	366.336	2.476	20	30		FEEDHM
CCC1CCN(S(=O)(=O)[N-]c2cc(C#N)ccc2OCCOC)CC1	ZINC000594703973	673120225	/nfs/dbraw/zinc/12/02/25/673120225.db2.gz	GYUKKPPNORFKOU-UHFFFAOYSA-N	-1	3	367.471	2.362	20	30		FEEDHM
C=C(C)CN(CC)C(=O)CN(CC(=O)OC)Cc1cc(Cl)ccc1[O-]	ZINC000731844509	673344753	/nfs/dbraw/zinc/34/47/53/673344753.db2.gz	DQKSMGTYYZWGFT-UHFFFAOYSA-N	-1	3	368.861	2.445	20	30		FEEDHM
CSc1ccc([O-])c(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1	ZINC000596886749	673423182	/nfs/dbraw/zinc/42/31/82/673423182.db2.gz	PHKLJRXXJIWSOJ-UHFFFAOYSA-N	-1	3	354.435	2.343	20	30		FEEDHM
CCCN(CC1CC1)C(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000742469869	673728861	/nfs/dbraw/zinc/72/88/61/673728861.db2.gz	JUZSMEFYVPGAGO-ZDUSSCGKSA-N	-1	3	363.483	2.152	20	30		FEEDHM
C=CCC[C@H]([N-]S(=O)(=O)Cc1ccc(CC#N)cc1)C(=O)OCC	ZINC000567774307	675321043	/nfs/dbraw/zinc/32/10/43/675321043.db2.gz	GJXLNKFMSWPDDG-INIZCTEOSA-N	-1	3	350.440	2.070	20	30		FEEDHM
CC(C)c1c(C(=O)N[C@H]2CCN([O-])C2=O)cnn1-c1ccccc1Cl	ZINC000820144343	675338971	/nfs/dbraw/zinc/33/89/71/675338971.db2.gz	TYQSIXHTZBTVCE-ZDUSSCGKSA-N	-1	3	362.817	2.369	20	30		FEEDHM
CCCOc1ccc(-c2nc(C(=O)N[C@H]3CCN([O-])C3=O)cs2)cc1	ZINC000820156054	675340166	/nfs/dbraw/zinc/34/01/66/675340166.db2.gz	CCWLKJIBUAQPRE-ZDUSSCGKSA-N	-1	3	361.423	2.319	20	30		FEEDHM
CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)N[C@H]2CCN([O-])C2=O)c1	ZINC000820175525	675341128	/nfs/dbraw/zinc/34/11/28/675341128.db2.gz	ZSLIFYHXEPQVSM-ZDUSSCGKSA-N	-1	3	367.833	2.435	20	30		FEEDHM
O=C(N[C@@H]1CCN([O-])C1=O)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1	ZINC000820178758	675341551	/nfs/dbraw/zinc/34/15/51/675341551.db2.gz	AHOMDIFLHDJCTN-MBNYWOFBSA-N	-1	3	357.435	2.452	20	30		FEEDHM
CC(C)(C(=O)N[C@H]1CCCN([O-])C1=O)c1cccc(Br)c1	ZINC000820476904	675364953	/nfs/dbraw/zinc/36/49/53/675364953.db2.gz	RLVNPILXPBLJHR-LBPRGKRZSA-N	-1	3	355.232	2.223	20	30		FEEDHM
C[C@H](CC(=O)O[C@@H]1CCC12CCC2)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000821814685	675453935	/nfs/dbraw/zinc/45/39/35/675453935.db2.gz	CEEKDKHOPJRVFX-IUODEOHRSA-N	-1	3	362.451	2.380	20	30		FEEDHM
C=CCCC[C@@H](C)NC(=O)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1	ZINC000823894153	675576008	/nfs/dbraw/zinc/57/60/08/675576008.db2.gz	IVHSLAIFUMIWQF-SNVBAGLBSA-N	-1	3	362.821	2.320	20	30		FEEDHM
C=CCCC[C@@H](C)NC(=O)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1	ZINC000823894153	675576010	/nfs/dbraw/zinc/57/60/10/675576010.db2.gz	IVHSLAIFUMIWQF-SNVBAGLBSA-N	-1	3	362.821	2.320	20	30		FEEDHM
NC(=NOCc1ccc(-c2nnn[n-]2)cc1)c1ccc(Br)cc1	ZINC000826388122	675687568	/nfs/dbraw/zinc/68/75/68/675687568.db2.gz	JCWUFCSOEZCITL-UHFFFAOYSA-N	-1	3	373.214	2.466	20	30		FEEDHM
NC(=NOCc1ccc(-c2nn[n-]n2)cc1)c1ccc(Br)cc1	ZINC000826388122	675687571	/nfs/dbraw/zinc/68/75/71/675687571.db2.gz	JCWUFCSOEZCITL-UHFFFAOYSA-N	-1	3	373.214	2.466	20	30		FEEDHM
NC(=NOCc1ccccc1-c1nnn[n-]1)c1ccc(Br)cc1	ZINC000826388999	675687704	/nfs/dbraw/zinc/68/77/04/675687704.db2.gz	NYUZYHDVZHFBCI-UHFFFAOYSA-N	-1	3	373.214	2.466	20	30		FEEDHM
NC(=NOCc1ccccc1-c1nn[n-]n1)c1ccc(Br)cc1	ZINC000826388999	675687706	/nfs/dbraw/zinc/68/77/06/675687706.db2.gz	NYUZYHDVZHFBCI-UHFFFAOYSA-N	-1	3	373.214	2.466	20	30		FEEDHM
C#CC[C@H]1CCCN(Cc2nc(=O)c3c(C)c(C(=O)OC)sc3[n-]2)C1	ZINC000829788949	675891019	/nfs/dbraw/zinc/89/10/19/675891019.db2.gz	KHQZKDPFLBOWHE-LBPRGKRZSA-N	-1	3	359.451	2.315	20	30		FEEDHM
COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCc3cc(C#N)ccc32)s1	ZINC000618716753	676350801	/nfs/dbraw/zinc/35/08/01/676350801.db2.gz	NGVINGXPZPXTBN-CYBMUJFWSA-N	-1	3	362.432	2.372	20	30		FEEDHM
CC(C)Oc1ccc([N-]S(=O)(=O)CC(=O)OC2(C#N)CCC2)cc1	ZINC000762100679	680740641	/nfs/dbraw/zinc/74/06/41/680740641.db2.gz	SUFHANIENWKSSJ-UHFFFAOYSA-N	-1	3	352.412	2.205	20	30		FEEDHM
Cc1cc(F)ccc1C=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1	ZINC000750937064	680141285	/nfs/dbraw/zinc/14/12/85/680141285.db2.gz	LZHLIPQJGMRUNI-UHFFFAOYSA-N	-1	3	351.359	2.496	20	30		FEEDHM
COc1cc(C=NNC2=N[C@H]3CCCC[C@@H]3N2)cc(Br)c1[O-]	ZINC000753941339	680325213	/nfs/dbraw/zinc/32/52/13/680325213.db2.gz	YVDXEFYVCCPFFU-RYUDHWBXSA-N	-1	3	367.247	2.357	20	30		FEEDHM
CC[C@@H](C#N)[N-]S(=O)(=O)c1cc(Br)cc(F)c1OC	ZINC000755441040	680414570	/nfs/dbraw/zinc/41/45/70/680414570.db2.gz	RBWUIIOBBSJJPN-QMMMGPOBSA-N	-1	3	351.197	2.177	20	30		FEEDHM
N#Cc1cc(F)c(C(=O)OCC(=O)[N-]C(=O)c2cccs2)c(F)c1	ZINC000756593810	680487869	/nfs/dbraw/zinc/48/78/69/680487869.db2.gz	WCIYLYISPBLIRN-UHFFFAOYSA-N	-1	3	350.302	2.011	20	30		FEEDHM
C[C@@H](CC(=O)NC(C)(C)C1CCC1)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000836847280	680522329	/nfs/dbraw/zinc/52/23/29/680522329.db2.gz	FZLCBCCUEUUGDM-LBPRGKRZSA-N	-1	3	363.483	2.199	20	30		FEEDHM
C[N-]S(=O)(=O)c1cc(C(=O)OCc2ccc(F)c(C#N)c2)ccc1F	ZINC000758958110	680618006	/nfs/dbraw/zinc/61/80/06/680618006.db2.gz	VKLOLULSQFECCZ-UHFFFAOYSA-N	-1	3	366.345	2.102	20	30		FEEDHM
CC(C)[C@]1(C)C[C@H]1NC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000838043731	680670316	/nfs/dbraw/zinc/67/03/16/680670316.db2.gz	VLUNLSYOCZENEU-DWQUBVKVSA-N	-1	3	363.483	2.055	20	30		FEEDHM
C=CCOC(=O)c1sc2[n-]c(CC(=O)C(C)(C)F)nc(=O)c2c1C	ZINC000841498554	680887902	/nfs/dbraw/zinc/88/79/02/680887902.db2.gz	PUUIYNVRDSFYQE-UHFFFAOYSA-N	-1	3	352.387	2.496	20	30		FEEDHM
C#CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C(=O)OC	ZINC000841540023	680894531	/nfs/dbraw/zinc/89/45/31/680894531.db2.gz	QMYVCXUURIXXED-JTQLQIEISA-N	-1	3	369.748	2.202	20	30		FEEDHM
Cc1cc(C=Nn2c(=S)[n-]nc2[C@H]2COc3ccccc3O2)nn1C	ZINC000841608499	680903484	/nfs/dbraw/zinc/90/34/84/680903484.db2.gz	HFCQRQYYPWBRTL-CQSZACIVSA-N	-1	3	356.411	2.003	20	30		FEEDHM
C[C@H](CC(=O)N[C@@H]1CCC(C)(C)C1)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000768521318	680948987	/nfs/dbraw/zinc/94/89/87/680948987.db2.gz	VNKXJNJAJYXHDY-CHWSQXEVSA-N	-1	3	363.483	2.199	20	30		FEEDHM
C=CCCC[C@H](C)NC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000776013809	681356196	/nfs/dbraw/zinc/35/61/96/681356196.db2.gz	DYIWHBUPMLILFV-KBPBESRZSA-N	-1	3	363.483	2.365	20	30		FEEDHM
O=C(N[C@H]1CCCN([O-])C1=O)c1cc(F)c(Br)c(Cl)c1	ZINC000848131946	681478057	/nfs/dbraw/zinc/47/80/57/681478057.db2.gz	FQHYYAFCSYTYIO-VIFPVBQESA-N	-1	3	365.586	2.352	20	30		FEEDHM
O=C(N[C@H]1CCCN([O-])C1=O)c1c(Cl)cc(F)cc1Br	ZINC000848132361	681478059	/nfs/dbraw/zinc/47/80/59/681478059.db2.gz	QGUBYAUIFWMIDL-VIFPVBQESA-N	-1	3	365.586	2.352	20	30		FEEDHM
Fc1ccc(C=Nn2c(=S)[n-]nc2[C@@H]2COc3ccccc3O2)cn1	ZINC000777423013	681492628	/nfs/dbraw/zinc/49/26/28/681492628.db2.gz	LWNGDLSOBNXJRX-ZDUSSCGKSA-N	-1	3	357.370	2.496	20	30		FEEDHM
CCCN(C(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21)C(C)C	ZINC000848291733	681508478	/nfs/dbraw/zinc/50/84/78/681508478.db2.gz	CSXHRQGDEJRHRU-CYBMUJFWSA-N	-1	3	351.472	2.151	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCC(CC#N)CC2)ccc1F	ZINC000782053500	682002384	/nfs/dbraw/zinc/00/23/84/682002384.db2.gz	OHKDHEFNHDOHSC-UHFFFAOYSA-N	-1	3	365.430	2.056	20	30		FEEDHM
C[C@H](CC(=O)OC[C@@H]1CCC1(F)F)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000851316170	682049065	/nfs/dbraw/zinc/04/90/65/682049065.db2.gz	HMKYITDRQMIXKT-MNOVXSKESA-N	-1	3	372.393	2.092	20	30		FEEDHM
N#Cc1ccc2c(c1)CC[C@H]2NC(=O)NCc1nc(C(F)(F)F)n[n-]1	ZINC000787317771	682449600	/nfs/dbraw/zinc/44/96/00/682449600.db2.gz	IOSDSYKGYSFCFS-LLVKDONJSA-N	-1	3	350.304	2.182	20	30		FEEDHM
C=CCCO[N-]C(=O)CCCNS(=O)(=O)c1ccc2c(c1)CCCC2	ZINC000856029487	682735993	/nfs/dbraw/zinc/73/59/93/682735993.db2.gz	PYZXKWDQVJDELP-UHFFFAOYSA-N	-1	3	366.483	2.248	20	30		FEEDHM
C#CC[C@H](Cc1ccccc1)OC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C	ZINC000793375054	682885989	/nfs/dbraw/zinc/88/59/89/682885989.db2.gz	NXYUITVIGJFGBA-CVEARBPZSA-N	-1	3	351.468	2.128	20	30		FEEDHM
CC(=O)N1CCc2c(C#N)c([N-]C(=O)c3cnc(Cl)cn3)sc2C1	ZINC000857678273	682903478	/nfs/dbraw/zinc/90/34/78/682903478.db2.gz	BLQNFTSZAWWIRQ-UHFFFAOYSA-N	-1	3	361.814	2.220	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)NCC(CC)(CC)OC)ccc1F	ZINC000795180774	683026693	/nfs/dbraw/zinc/02/66/93/683026693.db2.gz	CNQUXTLJYBLZJU-UHFFFAOYSA-N	-1	3	372.462	2.225	20	30		FEEDHM
C#CC[C@H](CCOC)[N-]S(=O)(=O)c1cc(Br)ccc1F	ZINC000859425913	683107832	/nfs/dbraw/zinc/10/78/32/683107832.db2.gz	MLKWHWWJFBQJTB-LLVKDONJSA-N	-1	3	364.236	2.295	20	30		FEEDHM
N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1cn2c(n1)COCC2	ZINC000860474348	683248833	/nfs/dbraw/zinc/24/88/33/683248833.db2.gz	YZQYQLVTXNWDKK-JTQLQIEISA-N	-1	3	362.748	2.167	20	30		FEEDHM
C#CCOCC[N-]S(=O)(=O)c1cc(Cl)ccc1Br	ZINC000797454484	683252435	/nfs/dbraw/zinc/25/24/35/683252435.db2.gz	YHEKUECUNSMHFE-UHFFFAOYSA-N	-1	3	352.637	2.031	20	30		FEEDHM
Cc1ncc(CO)c(/C=N\C[C@H](C)c2ccc(S(C)(=O)=O)cc2)c1[O-]	ZINC000864349285	683840776	/nfs/dbraw/zinc/84/07/76/683840776.db2.gz	WNNFHZKEKNLXNK-ZTPSMGMTSA-N	-1	3	362.451	2.214	20	30		FEEDHM
O=C(CC(F)(F)C(F)(F)F)[N-][C@@H]1CCCN(CC(F)(F)F)C1=O	ZINC000866844880	684165960	/nfs/dbraw/zinc/16/59/60/684165960.db2.gz	WNHNKWZNZQXJLI-ZCFIWIBFSA-N	-1	3	356.213	2.244	20	30		FEEDHM
C=CCC[N-]S(=O)(=O)N=[S@](C)(=O)c1cccc(Br)c1	ZINC000867505459	684297740	/nfs/dbraw/zinc/29/77/40/684297740.db2.gz	VJLFRRYPPSGFAQ-GOSISDBHSA-N	-1	3	367.290	2.316	20	30		FEEDHM
S=c1[n-]c2ccccc2nc1NN=Cc1cn(C[C@H]2CCOC2)nn1	ZINC000872391845	684942936	/nfs/dbraw/zinc/94/29/36/684942936.db2.gz	PEMPRWMBQROWEG-LLVKDONJSA-N	-1	3	355.427	2.366	20	30		FEEDHM
C#C[C@H]1CC[C@H](NC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)CC1	ZINC000873294176	685105720	/nfs/dbraw/zinc/10/57/20/685105720.db2.gz	QBKZCNSWAMKPCY-MQMHXKEQSA-N	-1	3	359.392	2.279	20	30		FEEDHM
CN(C)c1ccc(NC(=O)N[C@@H]2CCCN([O-])C2=O)c(C(F)(F)F)c1	ZINC000878216964	686542910	/nfs/dbraw/zinc/54/29/10/686542910.db2.gz	TWTDBQMVXHEOTH-GFCCVEGCSA-N	-1	3	360.336	2.273	20	30		FEEDHM
O=C(Nc1cc(F)ccc1N1CCCCC1)N[C@@H]1CCCN([O-])C1=O	ZINC000878560620	686608146	/nfs/dbraw/zinc/60/81/46/686608146.db2.gz	FSFQQCKHLQCBJI-CYBMUJFWSA-N	-1	3	350.394	2.318	20	30		FEEDHM
CCCCC1(NC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)CC1	ZINC000889530276	688786057	/nfs/dbraw/zinc/78/60/57/688786057.db2.gz	KWBOEZLHPLEWDU-CYBMUJFWSA-N	-1	3	363.483	2.343	20	30		FEEDHM
O=C1[C@H](NCc2cnn(-c3ccc(C(F)(F)F)cc3)c2)CCCN1[O-]	ZINC000895157918	689669409	/nfs/dbraw/zinc/66/94/09/689669409.db2.gz	FZTBJCSHICUPMT-CQSZACIVSA-N	-1	3	354.332	2.361	20	30		FEEDHM
Cc1ncc(CO)c(/C=N/CC2(n3cc(Br)cn3)CC2)c1[O-]	ZINC000899227114	690322596	/nfs/dbraw/zinc/32/25/96/690322596.db2.gz	FQTSUSRYLMCXHD-UBKPWBPPSA-N	-1	3	365.231	2.155	20	30		FEEDHM
COCCN(CC(=O)N([O-])Cc1ccc(F)cc1)C(=O)OC(C)(C)C	ZINC000901371675	690641204	/nfs/dbraw/zinc/64/12/04/690641204.db2.gz	HAYRKLSMUGQJGC-UHFFFAOYSA-N	-1	3	356.394	2.427	20	30		FEEDHM
CS(=O)(=O)N1CCCC[C@@H]1C(=O)N([O-])Cc1cccc2ccccc21	ZINC000901371441	690641221	/nfs/dbraw/zinc/64/12/21/690641221.db2.gz	UKJJMLDAOARCKO-QGZVFWFLSA-N	-1	3	362.451	2.372	20	30		FEEDHM
C=CCn1cc2ccc([N-]S(=O)(=O)C3(CC(=O)OCC)CC3)cc2n1	ZINC000901967940	690723107	/nfs/dbraw/zinc/72/31/07/690723107.db2.gz	VOBGPNWEBPJSNN-UHFFFAOYSA-N	-1	3	363.439	2.450	20	30		FEEDHM
C#CCN(C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1)C(C)C	ZINC000902937917	690822425	/nfs/dbraw/zinc/82/24/25/690822425.db2.gz	OJDCRZHASJLYSO-UHFFFAOYSA-N	-1	3	353.444	2.332	20	30		FEEDHM
COC(=O)c1sccc1S(=O)(=O)[N-][C@@H](C)c1ccc(C#N)cc1	ZINC000030360083	539880253	/nfs/dbraw/zinc/88/02/53/539880253.db2.gz	GCGLIDDLFKAINT-JTQLQIEISA-N	-1	3	350.421	2.446	20	30		FEEDHM
Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1nnc(C(F)(F)F)[n-]1	ZINC000043751395	540108848	/nfs/dbraw/zinc/10/88/48/540108848.db2.gz	GRDCODCVSDXXSL-UHFFFAOYSA-N	-1	3	355.324	2.122	20	30		FEEDHM
Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1nc(C(F)(F)F)n[n-]1	ZINC000043751395	540108852	/nfs/dbraw/zinc/10/88/52/540108852.db2.gz	GRDCODCVSDXXSL-UHFFFAOYSA-N	-1	3	355.324	2.122	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1cccnc1OC(C)C	ZINC000044614176	540133637	/nfs/dbraw/zinc/13/36/37/540133637.db2.gz	YKEZWXVAFHXZDJ-UHFFFAOYSA-N	-1	3	368.437	2.295	20	30		FEEDHM
Cc1cc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)ccc1N1CCNC1=O	ZINC000053797254	540554341	/nfs/dbraw/zinc/55/43/41/540554341.db2.gz	GKSLDPPSLQPLSL-UHFFFAOYSA-N	-1	3	354.292	2.298	20	30		FEEDHM
Cc1cc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)ccc1N1CCNC1=O	ZINC000053797254	540554344	/nfs/dbraw/zinc/55/43/44/540554344.db2.gz	GKSLDPPSLQPLSL-UHFFFAOYSA-N	-1	3	354.292	2.298	20	30		FEEDHM
N#Cc1ccccc1Oc1ccc(NC(=O)CC[C@H]2NC(=O)[N-]C2=O)cc1	ZINC000056248435	540713329	/nfs/dbraw/zinc/71/33/29/540713329.db2.gz	PFJQBCSEHGFGOA-OAHLLOKOSA-N	-1	3	364.361	2.277	20	30		FEEDHM
C=CCOc1cccc(NC(=O)C[N-]S(=O)(=O)c2cccs2)c1	ZINC000056337494	540719556	/nfs/dbraw/zinc/71/95/56/540719556.db2.gz	VGCDKBFZNJCTFI-UHFFFAOYSA-N	-1	3	352.437	2.230	20	30		FEEDHM
N#Cc1ccc(NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)cc1	ZINC000059122565	540863533	/nfs/dbraw/zinc/86/35/33/540863533.db2.gz	IUYZBWSKMJCLAZ-UHFFFAOYSA-N	-1	3	350.378	2.254	20	30		FEEDHM
CO[C@H](CNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1ccc(F)cc1	ZINC000073148114	541925630	/nfs/dbraw/zinc/92/56/30/541925630.db2.gz	XQJDTSDAKDXNQJ-GOSISDBHSA-N	-1	3	371.412	2.439	20	30		FEEDHM
N#Cc1cc(NC(=O)CC[N-]S(=O)(=O)c2cccs2)ccc1F	ZINC000076880768	542328103	/nfs/dbraw/zinc/32/81/03/542328103.db2.gz	KCFJUFVHUSEOQA-UHFFFAOYSA-N	-1	3	353.400	2.066	20	30		FEEDHM
C[C@H](C#N)OCCOC(=O)c1ccc(I)c([O-])c1	ZINC000801857354	674153007	/nfs/dbraw/zinc/15/30/07/674153007.db2.gz	GZCOGKDFGDIFHU-MRVPVSSYSA-N	-1	3	361.135	2.082	20	30		FEEDHM
CC[C@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1c(C)nn(C)c1C	ZINC000081259728	542642873	/nfs/dbraw/zinc/64/28/73/542642873.db2.gz	RHJANPKPNJQYLF-KRWDZBQOSA-N	-1	3	369.469	2.414	20	30		FEEDHM
N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CCCOC[C@H]1CCCO1	ZINC000156243950	545610718	/nfs/dbraw/zinc/61/07/18/545610718.db2.gz	CTAKQZLSIRGMFR-GFCCVEGCSA-N	-1	3	358.847	2.076	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCN(CC3CC3)C2)c(C(F)(F)F)c1	ZINC000108403992	543288935	/nfs/dbraw/zinc/28/89/35/543288935.db2.gz	MLFGPYOSKQIPOU-ZDUSSCGKSA-N	-1	3	373.400	2.340	20	30		FEEDHM
C=CCOc1ccccc1C[N-]S(=O)(=O)c1c(C)nn(C)c1Cl	ZINC000111355536	543398450	/nfs/dbraw/zinc/39/84/50/543398450.db2.gz	HPKGEOGLFOKUMU-UHFFFAOYSA-N	-1	3	355.847	2.425	20	30		FEEDHM
C[C@@H]1CCC[C@](C#N)(NC(=O)CC[N-]S(=O)(=O)c2ccccc2F)C1	ZINC000116812487	543617021	/nfs/dbraw/zinc/61/70/21/543617021.db2.gz	QHKKMIYHPUGYIM-DYVFJYSZSA-N	-1	3	367.446	2.083	20	30		FEEDHM
C[N-]S(=O)(=O)c1ccc(CNC(=O)Nc2ccc(CC#N)cc2)s1	ZINC000121791778	543699831	/nfs/dbraw/zinc/69/98/31/543699831.db2.gz	PNVKMEFPGRIDMH-UHFFFAOYSA-N	-1	3	364.452	2.044	20	30		FEEDHM
CC(C)c1nc2n(n1)CCC[C@H]2[N-]S(=O)(=O)c1ccc(F)cc1C#N	ZINC000126128988	543919571	/nfs/dbraw/zinc/91/95/71/543919571.db2.gz	HEGMGSMYBLISNL-CYBMUJFWSA-N	-1	3	363.418	2.226	20	30		FEEDHM
CN(C)[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1F)c1ccc(F)cc1	ZINC000151087211	544504218	/nfs/dbraw/zinc/50/42/18/544504218.db2.gz	NHUZGCDQFISFBH-INIZCTEOSA-N	-1	3	365.405	2.418	20	30		FEEDHM
CCc1cc(NC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)ccc1F	ZINC000803446456	674243032	/nfs/dbraw/zinc/24/30/32/674243032.db2.gz	PSCXCOSRCLQGCY-UHFFFAOYSA-N	-1	3	361.398	2.065	20	30		FEEDHM
COc1c(F)cc(S(=O)(=O)[N-]Cc2ccc(C#N)cc2)cc1[N+](=O)[O-]	ZINC000186483634	327963957	/nfs/dbraw/zinc/96/39/57/327963957.db2.gz	BVPYLEASPVVRAK-UHFFFAOYSA-N	-1	3	365.342	2.093	20	30		FEEDHM
Cc1ccccc1C[C@H](CO)[N-]S(=O)(=O)c1ccc(Cl)cc1C#N	ZINC000188277987	328077591	/nfs/dbraw/zinc/07/75/91/328077591.db2.gz	VECVEEATHYBCBY-MRXNPFEDSA-N	-1	3	364.854	2.402	20	30		FEEDHM
N#Cc1ccccc1-c1ccccc1C(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O	ZINC000195015118	328451638	/nfs/dbraw/zinc/45/16/38/328451638.db2.gz	NYSNLMSYVYIREM-NRFANRHFSA-N	-1	3	374.400	2.039	20	30		FEEDHM
N#Cc1cccc(OC2CCN(CCC[N-]C(=O)C(F)(F)F)CC2)c1	ZINC000091556276	325387054	/nfs/dbraw/zinc/38/70/54/325387054.db2.gz	GGDCJHGKVMYDTL-UHFFFAOYSA-N	-1	3	355.360	2.470	20	30		FEEDHM
COc1cccc(C(=O)N2CCCN(c3ncccc3C#N)CC2)c1[O-]	ZINC000097680419	325462954	/nfs/dbraw/zinc/46/29/54/325462954.db2.gz	CVPRQRYPZHRAOA-UHFFFAOYSA-N	-1	3	352.394	2.020	20	30		FEEDHM
CC(C)(Oc1ccc(C#N)cc1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1	ZINC000119703643	326189808	/nfs/dbraw/zinc/18/98/08/326189808.db2.gz	TVVBVPWLHKZZSC-UHFFFAOYSA-N	-1	3	362.393	2.212	20	30		FEEDHM
CC(C)(Oc1ccc(C#N)cc1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1	ZINC000119703643	326189812	/nfs/dbraw/zinc/18/98/12/326189812.db2.gz	TVVBVPWLHKZZSC-UHFFFAOYSA-N	-1	3	362.393	2.212	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCCC[C@@H]2O)c(C(F)(F)F)c1	ZINC000121346675	326331556	/nfs/dbraw/zinc/33/15/56/326331556.db2.gz	CCPVZDUQNAIIFI-YPMHNXCESA-N	-1	3	362.373	2.406	20	30		FEEDHM
CSC1(C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)CCOCC1	ZINC000122325294	326392450	/nfs/dbraw/zinc/39/24/50/326392450.db2.gz	MTELGFJJIQQVNC-UHFFFAOYSA-N	-1	3	360.888	2.402	20	30		FEEDHM
CCNC(=O)c1cccc(OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1	ZINC000122392572	326394944	/nfs/dbraw/zinc/39/49/44/326394944.db2.gz	NXDNVLYHEOTGDV-UHFFFAOYSA-N	-1	3	367.405	2.151	20	30		FEEDHM
Cc1c(C[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)cnn1C	ZINC000152613633	326711827	/nfs/dbraw/zinc/71/18/27/326711827.db2.gz	NKBKFDLUJDQSHS-UHFFFAOYSA-N	-1	3	358.345	2.098	20	30		FEEDHM
CN(C)[C@@H](C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1ccccc1	ZINC000156096203	326817187	/nfs/dbraw/zinc/81/71/87/326817187.db2.gz	WDYSETVOJGKFDW-INIZCTEOSA-N	-1	3	374.422	2.048	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)[C@H](O)c1ccc(F)cc1	ZINC000161969580	327013733	/nfs/dbraw/zinc/01/37/33/327013733.db2.gz	AURIYQANUBRSJK-DJJJIMSYSA-N	-1	3	371.412	2.173	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)Cc1cc(C#N)ccc1F)C(=O)Nc1ccccc1	ZINC000162650162	327030810	/nfs/dbraw/zinc/03/08/10/327030810.db2.gz	HODIDRKHHZIWDG-GFCCVEGCSA-N	-1	3	361.398	2.144	20	30		FEEDHM
CCc1nn(C)c(CC)c1C[N-]S(=O)(=O)c1ccc(F)cc1C#N	ZINC000167652654	327085515	/nfs/dbraw/zinc/08/55/15/327085515.db2.gz	VHOHGNRBNJKRAQ-UHFFFAOYSA-N	-1	3	350.419	2.034	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H](O)CCc1ccccc1	ZINC000273117708	329838357	/nfs/dbraw/zinc/83/83/57/329838357.db2.gz	CAEDNFFOLGIRIH-KRWDZBQOSA-N	-1	3	367.449	2.318	20	30		FEEDHM
CC[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)[C@H](O)C(F)(F)F	ZINC000274645551	329967464	/nfs/dbraw/zinc/96/74/64/329967464.db2.gz	AXBBULKLUBBGAH-ONGXEEELSA-N	-1	3	356.753	2.192	20	30		FEEDHM
C#CCCCS(=O)(=O)[N-]C[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F	ZINC000805011587	674312385	/nfs/dbraw/zinc/31/23/85/674312385.db2.gz	LVDUHQVFPRFHPU-CYBMUJFWSA-N	-1	3	369.792	2.423	20	30		FEEDHM
COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]CC(C)(C)CCC#N	ZINC000805139225	674322428	/nfs/dbraw/zinc/32/24/28/674322428.db2.gz	PSCPLQFCVLYBST-UHFFFAOYSA-N	-1	3	359.835	2.130	20	30		FEEDHM
Cc1nc([C@@H]([N-]S(=O)(=O)c2ccccc2C#N)c2ccccc2)n[nH]1	ZINC000157141154	545705148	/nfs/dbraw/zinc/70/51/48/545705148.db2.gz	TYLOYDJAARJYML-INIZCTEOSA-N	-1	3	353.407	2.053	20	30		FEEDHM
COc1cc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)ccc1O	ZINC000158388345	545854426	/nfs/dbraw/zinc/85/44/26/545854426.db2.gz	DFTRBBVAALNVHT-UHFFFAOYSA-N	-1	3	366.826	2.447	20	30		FEEDHM
CC(C)(C)CN(CCC#N)C(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1	ZINC000158711921	545887213	/nfs/dbraw/zinc/88/72/13/545887213.db2.gz	NJHXZHVKNTYCQT-IBGZPJMESA-N	-1	3	356.426	2.143	20	30		FEEDHM
CC[C@@H](C#N)[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl	ZINC000160879272	546080793	/nfs/dbraw/zinc/08/07/93/546080793.db2.gz	KHCAWFZRKYFJFX-ZETCQYMHSA-N	-1	3	351.211	2.360	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-][C@H](CO)Cc2c[nH]c3ccccc23)c(F)c1	ZINC000161226485	546111778	/nfs/dbraw/zinc/11/17/78/546111778.db2.gz	SPFGCMYNPKJQDC-AWEZNQCLSA-N	-1	3	373.409	2.061	20	30		FEEDHM
N#Cc1ccc(N2CCN(C(=O)Cc3ccc([O-])cc3Cl)CC2)nc1	ZINC000178113222	546741374	/nfs/dbraw/zinc/74/13/74/546741374.db2.gz	YEQJOTHXCROVCS-UHFFFAOYSA-N	-1	3	356.813	2.204	20	30		FEEDHM
C=CCCC[C@@H](C)NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1	ZINC000180844569	547192540	/nfs/dbraw/zinc/19/25/40/547192540.db2.gz	WAKQWCZVVWUCOF-LLVKDONJSA-N	-1	3	364.464	2.220	20	30		FEEDHM
N#Cc1ccc(CS(=O)(=O)[N-][C@H]2CCO[C@@H]2c2cccnc2)c(F)c1	ZINC000483942158	561287521	/nfs/dbraw/zinc/28/75/21/561287521.db2.gz	OEENQLHXFKGUQH-DLBZAZTESA-N	-1	3	361.398	2.042	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc3c(c2)OCO3)c(Cl)c1	ZINC000183351666	547643275	/nfs/dbraw/zinc/64/32/75/547643275.db2.gz	CJNIMIBMVBBVSV-UHFFFAOYSA-N	-1	3	350.783	2.419	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]Cc2ccnc(-n3cccn3)c2)c(Cl)c1	ZINC000183475732	547667213	/nfs/dbraw/zinc/66/72/13/547667213.db2.gz	OKGYAPDZDCTSKQ-UHFFFAOYSA-N	-1	3	373.825	2.271	20	30		FEEDHM
CN(C)[C@@H](C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)c1ccco1	ZINC000186045934	548077926	/nfs/dbraw/zinc/07/79/26/548077926.db2.gz	LVJFSDRRLGIPOM-ZDUSSCGKSA-N	-1	3	353.831	2.386	20	30		FEEDHM
C[C@@H](C(=O)NC1(C#N)CCCCC1)N(C)Cc1nc2ccsc2c(=O)[n-]1	ZINC000192704789	548371314	/nfs/dbraw/zinc/37/13/14/548371314.db2.gz	FRBMTZMKFLNULD-LBPRGKRZSA-N	-1	3	373.482	2.148	20	30		FEEDHM
C[C@@H](c1ccccc1)[C@@H]([N-]S(=O)(=O)CC1(C#N)CCCCC1)C(N)=O	ZINC000490103130	561426731	/nfs/dbraw/zinc/42/67/31/561426731.db2.gz	MHLOOCPSOPKMDA-GOEBONIOSA-N	-1	3	363.483	2.037	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1C	ZINC000263739359	549929573	/nfs/dbraw/zinc/92/95/73/549929573.db2.gz	DLGPOYDCDPZJCB-SWLSCSKDSA-N	-1	3	372.469	2.114	20	30		FEEDHM
CCC(CC)CN(CCC#N)C(=O)C[N-]S(=O)(=O)c1cccs1	ZINC000264108458	549979930	/nfs/dbraw/zinc/97/99/30/549979930.db2.gz	BQZRQZHMDIDMQU-UHFFFAOYSA-N	-1	3	357.501	2.205	20	30		FEEDHM
C[C@H]1CN(C2CC2)C[C@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000268809149	550118915	/nfs/dbraw/zinc/11/89/15/550118915.db2.gz	STEZIJGSFUBSOT-IINYFYTJSA-N	-1	3	373.400	2.338	20	30		FEEDHM
N#C[C@H]([N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2)C1CCCCC1	ZINC000270128986	550251173	/nfs/dbraw/zinc/25/11/73/550251173.db2.gz	OGMBCVAFUCQXOT-HNNXBMFYSA-N	-1	3	365.430	2.461	20	30		FEEDHM
COC(=O)[C@@H](CC1CCCCC1)[N-]S(=O)(=O)Cc1cccc(C#N)c1	ZINC000494309585	561466951	/nfs/dbraw/zinc/46/69/51/561466951.db2.gz	JCNWFTSTXMVQBL-QGZVFWFLSA-N	-1	3	364.467	2.490	20	30		FEEDHM
C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2O[C@@H](C)C#N)c(C)o1	ZINC000272552150	550457794	/nfs/dbraw/zinc/45/77/94/550457794.db2.gz	MIRIPFLHNVCUEJ-JTQLQIEISA-N	-1	3	363.395	2.039	20	30		FEEDHM
CC(C)(C)[C@](C)(C#N)[N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2	ZINC000274406693	550536337	/nfs/dbraw/zinc/53/63/37/550536337.db2.gz	VXQUVWGMYXGANG-INIZCTEOSA-N	-1	3	353.419	2.317	20	30		FEEDHM
C=CCCN(C)C(=O)[C@@H](CCSC)[N-]S(=O)(=O)c1ccccc1F	ZINC000276321282	550578316	/nfs/dbraw/zinc/57/83/16/550578316.db2.gz	YVAXSYJWIOONCY-CQSZACIVSA-N	-1	3	374.503	2.260	20	30		FEEDHM
COc1ccc([C@@H](OC)[C@@H](C)[N-]S(=O)(=O)c2cccnc2C#N)cc1	ZINC000276937655	550613316	/nfs/dbraw/zinc/61/33/16/550613316.db2.gz	AKTLRDWPZSZMIW-PXAZEXFGSA-N	-1	3	361.423	2.016	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-]CCCCOCCc1ccccc1	ZINC000277026831	550623725	/nfs/dbraw/zinc/62/37/25/550623725.db2.gz	NQMOQPASHRJYIB-UHFFFAOYSA-N	-1	3	359.451	2.271	20	30		FEEDHM
C=CCCCNC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1C(F)(F)F	ZINC000279240768	550868589	/nfs/dbraw/zinc/86/85/89/550868589.db2.gz	QKOUACXVRPERPY-NSHDSACASA-N	-1	3	364.389	2.455	20	30		FEEDHM
C=CCCCNC(=O)[C@@H](C)[N-]S(=O)(=O)c1ccccc1C(F)(F)F	ZINC000279819702	550932506	/nfs/dbraw/zinc/93/25/06/550932506.db2.gz	QKOUACXVRPERPY-LLVKDONJSA-N	-1	3	364.389	2.455	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]CCN2CC=CCC2)c(C(F)(F)F)c1	ZINC000280162501	550966892	/nfs/dbraw/zinc/96/68/92/550966892.db2.gz	GMQHRSUIUSPZJW-UHFFFAOYSA-N	-1	3	359.373	2.117	20	30		FEEDHM
C=C(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1c(C)csc1C(=O)OC	ZINC000280491526	550999889	/nfs/dbraw/zinc/99/98/89/550999889.db2.gz	BEDLEKQXHRVHEH-NEPJUHHUSA-N	-1	3	359.469	2.103	20	30		FEEDHM
C=C(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1Cl	ZINC000280756814	551028954	/nfs/dbraw/zinc/02/89/54/551028954.db2.gz	MYPHVIBUBMVCIN-SWLSCSKDSA-N	-1	3	373.858	2.386	20	30		FEEDHM
CCS(=O)(=O)c1ccc(C/N=C/c2c([O-])c(C)ncc2CO)s1	ZINC000281214119	551074610	/nfs/dbraw/zinc/07/46/10/551074610.db2.gz	SVJHKBWIIDZMPW-LZYBPNLTSA-N	-1	3	354.453	2.062	20	30		FEEDHM
C#C[C@H](NC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1)C(C)C	ZINC000281292421	551081724	/nfs/dbraw/zinc/08/17/24/551081724.db2.gz	JJRGWNGHZKGOMB-ZDUSSCGKSA-N	-1	3	353.444	2.236	20	30		FEEDHM
C#C[C@@H]([N-]S(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1)C(C)C	ZINC000281615452	551120730	/nfs/dbraw/zinc/12/07/30/551120730.db2.gz	SYKIFROWCJWQHM-CQSZACIVSA-N	-1	3	370.540	2.389	20	30		FEEDHM
N#CC1(CCCN2CCN(C(=O)c3ccc([O-])cc3)CC2)CCOCC1	ZINC000281897432	551154947	/nfs/dbraw/zinc/15/49/47/551154947.db2.gz	FJDJKHYHNVVUCN-UHFFFAOYSA-N	-1	3	357.454	2.251	20	30		FEEDHM
COc1cc(CN2CCN(C(=O)c3ccccc3[O-])CC2)ccc1C#N	ZINC000282117266	551182808	/nfs/dbraw/zinc/18/28/08/551182808.db2.gz	AOJSSZQZEWCSJM-UHFFFAOYSA-N	-1	3	351.406	2.230	20	30		FEEDHM
C=C(Cl)C[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)N(C)C)c1OC	ZINC000284199104	551502673	/nfs/dbraw/zinc/50/26/73/551502673.db2.gz	HMNFHICVXFWWKU-UHFFFAOYSA-N	-1	3	367.254	2.081	20	30		FEEDHM
CCCOc1ccc(C[N-]S(=O)(=O)c2ccc(C#N)o2)cc1OC	ZINC000286703756	551916716	/nfs/dbraw/zinc/91/67/16/551916716.db2.gz	RGLSXMAJPAGADT-UHFFFAOYSA-N	-1	3	350.396	2.427	20	30		FEEDHM
CCOCCOc1cc(C)ccc1C[N-]S(=O)(=O)c1ccc(C#N)o1	ZINC000288161406	552102271	/nfs/dbraw/zinc/10/22/71/552102271.db2.gz	OHXZDHGNDIFGCW-UHFFFAOYSA-N	-1	3	364.423	2.354	20	30		FEEDHM
CC[C@]([N-]S(=O)(=O)Cc1ccc(C#N)cc1)(C(=O)OC)c1ccccc1	ZINC000288259318	552120925	/nfs/dbraw/zinc/12/09/25/552120925.db2.gz	HHTGQYJECBFFPQ-LJQANCHMSA-N	-1	3	372.446	2.456	20	30		FEEDHM
COc1c([O-])c(CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)ccc1[N+](=O)[O-]	ZINC000292800138	552759718	/nfs/dbraw/zinc/75/97/18/552759718.db2.gz	NMAPYTVOIPWFJS-CQSZACIVSA-N	-1	3	370.365	2.229	20	30		FEEDHM
N#Cc1ccc(O[C@@H]2CCN(C(=O)NCc3ccc([O-])c(F)c3)C2)nc1	ZINC000292840303	552763835	/nfs/dbraw/zinc/76/38/35/552763835.db2.gz	BXSLIUWBKVDXKQ-CQSZACIVSA-N	-1	3	356.357	2.161	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@]2(CCCO2)[C@@H]1C1CC1	ZINC000294753458	552931797	/nfs/dbraw/zinc/93/17/97/552931797.db2.gz	IVPVTHNEAAIYQR-AZUAARDMSA-N	-1	3	355.438	2.378	20	30		FEEDHM
C[C@H](CCCO)C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000295301945	552984183	/nfs/dbraw/zinc/98/41/83/552984183.db2.gz	OFFGVNLOXSWUJU-SNVBAGLBSA-N	-1	3	350.362	2.264	20	30		FEEDHM
CCc1noc(CC)c1C[N-]S(=O)(=O)Cc1ccc(F)cc1C#N	ZINC000296265720	553132064	/nfs/dbraw/zinc/13/20/64/553132064.db2.gz	MCAXFJVVXVJXGP-UHFFFAOYSA-N	-1	3	351.403	2.430	20	30		FEEDHM
CC(C)(CC#N)CS(=O)(=O)[N-][C@H]1CCN(c2ccccc2Cl)C1=O	ZINC000296765703	553208851	/nfs/dbraw/zinc/20/88/51/553208851.db2.gz	PMKVVBSFWZCVHI-ZDUSSCGKSA-N	-1	3	369.874	2.305	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC1(C(=O)N(C)C)CCCCC1	ZINC000296836783	553218136	/nfs/dbraw/zinc/21/81/36/553218136.db2.gz	HYWZSKCIGLIEGJ-UHFFFAOYSA-N	-1	3	372.469	2.116	20	30		FEEDHM
Cc1cccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1C(N)=O	ZINC000298724434	553464519	/nfs/dbraw/zinc/46/45/19/553464519.db2.gz	NNIMDYRNHPKMEP-UHFFFAOYSA-N	-1	3	352.394	2.254	20	30		FEEDHM
Cc1[n-][nH]c(=NC(=O)[C@H]2CN(Cc3ccccc3)C[C@]23CCOC3)c1C#N	ZINC000602191795	553536417	/nfs/dbraw/zinc/53/64/17/553536417.db2.gz	ZWAXZNMSYNTEJR-XLIONFOSSA-N	-1	3	365.437	2.067	20	30		FEEDHM
CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)NC2(C#N)CCC2)ccc1F	ZINC000299520256	553575025	/nfs/dbraw/zinc/57/50/25/553575025.db2.gz	PMKOLCCAZFKYDW-UHFFFAOYSA-N	-1	3	353.419	2.079	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCC(=O)N1CCCCCC1	ZINC000299557052	553580633	/nfs/dbraw/zinc/58/06/33/553580633.db2.gz	MKGIFZWLNLUIPS-UHFFFAOYSA-N	-1	3	372.469	2.117	20	30		FEEDHM
Cc1cc([N-]C(=O)[C@H](C)N2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)on1	ZINC000328666137	553804985	/nfs/dbraw/zinc/80/49/85/553804985.db2.gz	CTFSIVIZNYHYTO-XEKQOVJPSA-N	-1	3	365.393	2.305	20	30		FEEDHM
CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)[N-]c1nncn1-c1ccccc1	ZINC000507088710	561716983	/nfs/dbraw/zinc/71/69/83/561716983.db2.gz	OVXQIAKZADHYCN-SFHVURJKSA-N	-1	3	355.398	2.467	20	30		FEEDHM
CC(=O)N1CC[C@H](C(=O)NCc2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)C1	ZINC000330123276	554068907	/nfs/dbraw/zinc/06/89/07/554068907.db2.gz	AQFHLNJOGDYUSQ-UGSOOPFHSA-N	-1	3	358.398	2.111	20	30		FEEDHM
C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)c1	ZINC000330144573	554073411	/nfs/dbraw/zinc/07/34/11/554073411.db2.gz	RSZIOGHANCPPBT-SWHYSGLUSA-N	-1	3	356.382	2.147	20	30		FEEDHM
C[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)s1)N1CCc2sccc2C1	ZINC000331677123	554306523	/nfs/dbraw/zinc/30/65/23/554306523.db2.gz	SYSPRRWGHKDSOQ-NSHDSACASA-N	-1	3	367.521	2.406	20	30		FEEDHM
Cn1cc(C#N)c(=NC(=O)NC[C@H]2CCCN(Cc3cccs3)C2)[n-]1	ZINC000610561130	554528785	/nfs/dbraw/zinc/52/87/85/554528785.db2.gz	PPTLJFXAJWZLFB-CYBMUJFWSA-N	-1	3	358.471	2.387	20	30		FEEDHM
CCN(CC)[C@H](CNC(=O)N=c1[n-]n(C)cc1C#N)Cc1ccccc1	ZINC000610563719	554530188	/nfs/dbraw/zinc/53/01/88/554530188.db2.gz	KGLRUGJHIUEHLC-KRWDZBQOSA-N	-1	3	354.458	2.366	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1ccc2n[nH]cc2c1	ZINC000511052451	561855058	/nfs/dbraw/zinc/85/50/58/561855058.db2.gz	PAXFUVWALQLNMA-JTQLQIEISA-N	-1	3	371.378	2.382	20	30		FEEDHM
C=C(C)[C@H]1OCC[C@H]1c1nc(-c2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)no1	ZINC000350107500	554760330	/nfs/dbraw/zinc/76/03/30/554760330.db2.gz	IAHHGDIYKFLSNS-PJIJBLCYSA-N	-1	3	368.393	2.240	20	30		FEEDHM
N#Cc1ccc(CS(=O)(=O)Cc2nc(-c3ccc([O-])cc3)no2)cc1	ZINC000350584567	554800470	/nfs/dbraw/zinc/80/04/70/554800470.db2.gz	SZWHAYVNKYNSSW-UHFFFAOYSA-N	-1	3	355.375	2.429	20	30		FEEDHM
C=CC[C@H](C)NC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl	ZINC000511429427	561869130	/nfs/dbraw/zinc/86/91/30/561869130.db2.gz	RHKHNYYDQJVECI-JTQLQIEISA-N	-1	3	363.842	2.021	20	30		FEEDHM
C=CC[C@@H](C)NC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl	ZINC000511429428	561869201	/nfs/dbraw/zinc/86/92/01/561869201.db2.gz	RHKHNYYDQJVECI-SNVBAGLBSA-N	-1	3	363.842	2.021	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]Cc2ccnc(-n3ccnc3)c2)c(Cl)c1	ZINC000368039898	556202141	/nfs/dbraw/zinc/20/21/41/556202141.db2.gz	YCZKXPYCHASVLG-UHFFFAOYSA-N	-1	3	373.825	2.271	20	30		FEEDHM
N#Cc1ncn(C2CCN(Cc3cc(Br)ccc3[O-])CC2)n1	ZINC000373466692	557699219	/nfs/dbraw/zinc/69/92/19/557699219.db2.gz	PCURIXUFUGAOLI-UHFFFAOYSA-N	-1	3	362.231	2.455	20	30		FEEDHM
N#Cc1ccc(N2CC(S(=O)(=O)[N-]c3ccccc3)C2)c([N+](=O)[O-])c1	ZINC000374715088	557920374	/nfs/dbraw/zinc/92/03/74/557920374.db2.gz	IRHJTFKVMQSPOP-UHFFFAOYSA-N	-1	3	358.379	2.097	20	30		FEEDHM
CSc1ccc(C(=O)N2CCN(c3ccc(C#N)nc3)CC2)c([O-])c1	ZINC000374862582	557942722	/nfs/dbraw/zinc/94/27/22/557942722.db2.gz	LJZFQEUOIGTOTR-UHFFFAOYSA-N	-1	3	354.435	2.343	20	30		FEEDHM
COC(=O)[C@H]1CN(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)CC12CCC2	ZINC000376431118	558172501	/nfs/dbraw/zinc/17/25/01/558172501.db2.gz	ZEMLRIGKZCGEAH-MRXNPFEDSA-N	-1	3	371.437	2.010	20	30		FEEDHM
C#Cc1ccc(CN2CCC[C@H](c3n[nH]cc3[N-]S(C)(=O)=O)C2)cc1	ZINC000377710233	558403071	/nfs/dbraw/zinc/40/30/71/558403071.db2.gz	WJDSVVYZTHKBLT-INIZCTEOSA-N	-1	3	358.467	2.142	20	30		FEEDHM
CC(C)(C#N)CCS(=O)(=O)[N-]Cc1noc(-c2cccc(F)c2)n1	ZINC000377882246	558441000	/nfs/dbraw/zinc/44/10/00/558441000.db2.gz	DNLYSJQAVIXDEL-UHFFFAOYSA-N	-1	3	352.391	2.235	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H](CO)Cc1ccccc1	ZINC000522858576	562205017	/nfs/dbraw/zinc/20/50/17/562205017.db2.gz	XASJQSGPFJMJPI-KRWDZBQOSA-N	-1	3	367.449	2.176	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nc2ccccc2c(=O)[nH]1	ZINC000524345041	562227357	/nfs/dbraw/zinc/22/73/57/562227357.db2.gz	NMCDSHGQLMVFHK-UHFFFAOYSA-N	-1	3	363.377	2.496	20	30		FEEDHM
CN(C)CCOc1ccc([N-]S(=O)(=O)c2ccc(C#N)o2)cc1F	ZINC000414387889	559160447	/nfs/dbraw/zinc/16/04/47/559160447.db2.gz	KBMIFFBZQSQIEW-UHFFFAOYSA-N	-1	3	353.375	2.032	20	30		FEEDHM
COCC[C@@H](C)C[N-]S(=O)(=O)c1cccc(Br)c1C#N	ZINC000416577697	559323047	/nfs/dbraw/zinc/32/30/47/559323047.db2.gz	FXFQZGURDUMYBB-SNVBAGLBSA-N	-1	3	361.261	2.272	20	30		FEEDHM
COc1cc(NC(=O)c2ccc(C#N)c([O-])c2)ccc1OCCN(C)C	ZINC000416331554	559306001	/nfs/dbraw/zinc/30/60/01/559306001.db2.gz	CGSMRBDZYKDFCS-UHFFFAOYSA-N	-1	3	355.394	2.465	20	30		FEEDHM
CC(C)[C@@H](O)CC[N-]S(=O)(=O)c1cc(Br)ccc1C#N	ZINC000416406111	559310513	/nfs/dbraw/zinc/31/05/13/559310513.db2.gz	DLTMGWLBTQIQJM-LBPRGKRZSA-N	-1	3	361.261	2.006	20	30		FEEDHM
C[C@@H]1[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2C#N)CCCN1C	ZINC000416458252	559314360	/nfs/dbraw/zinc/31/43/60/559314360.db2.gz	QDBIUSQHBZVGLY-ZWNOBZJWSA-N	-1	3	372.288	2.082	20	30		FEEDHM
CCC[C@@H](C[N-]S(=O)(=O)c1cc(Br)ccc1C#N)OC	ZINC000416491555	559317102	/nfs/dbraw/zinc/31/71/02/559317102.db2.gz	YGDZLLURMYUOQD-LBPRGKRZSA-N	-1	3	361.261	2.414	20	30		FEEDHM
C[C@H]1CC[C@H](C[N-]S(=O)(=O)c2cccc(Br)c2C#N)O1	ZINC000416537347	559320408	/nfs/dbraw/zinc/32/04/08/559320408.db2.gz	SMWTXZDNQIHIIY-VHSXEESVSA-N	-1	3	359.245	2.167	20	30		FEEDHM
C[C@H]1CC[C@@H](C[N-]S(=O)(=O)c2cccc(Br)c2C#N)O1	ZINC000416537346	559320422	/nfs/dbraw/zinc/32/04/22/559320422.db2.gz	SMWTXZDNQIHIIY-UWVGGRQHSA-N	-1	3	359.245	2.167	20	30		FEEDHM
CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(OC)c(N2CCCCC2=O)c1	ZINC000416939041	559339184	/nfs/dbraw/zinc/33/91/84/559339184.db2.gz	GIVCOFYGELDSIN-CYBMUJFWSA-N	-1	3	351.428	2.256	20	30		FEEDHM
Cc1cc(NC(=O)NCc2nnc(C(F)(F)F)[n-]2)c(C#N)cc1N(C)C	ZINC000417128781	559349118	/nfs/dbraw/zinc/34/91/18/559349118.db2.gz	JGXTXWDJHITOGE-UHFFFAOYSA-N	-1	3	367.335	2.391	20	30		FEEDHM
Cc1cc(NC(=O)NCc2n[n-]c(C(F)(F)F)n2)c(C#N)cc1N(C)C	ZINC000417128781	559349119	/nfs/dbraw/zinc/34/91/19/559349119.db2.gz	JGXTXWDJHITOGE-UHFFFAOYSA-N	-1	3	367.335	2.391	20	30		FEEDHM
Cc1cc(NC(=O)NCc2nc(C(F)(F)F)n[n-]2)c(C#N)cc1N(C)C	ZINC000417128781	559349120	/nfs/dbraw/zinc/34/91/20/559349120.db2.gz	JGXTXWDJHITOGE-UHFFFAOYSA-N	-1	3	367.335	2.391	20	30		FEEDHM
C=CC[C@H](CO)C[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F	ZINC000420689988	559498233	/nfs/dbraw/zinc/49/82/33/559498233.db2.gz	OLQZJRWZALUBGY-VIFPVBQESA-N	-1	3	355.790	2.404	20	30		FEEDHM
N#Cc1c(Br)cccc1S(=O)(=O)[N-]CCCC1(O)CCC1	ZINC000420715192	559499961	/nfs/dbraw/zinc/49/99/61/559499961.db2.gz	HDPLEBHUJJBENC-UHFFFAOYSA-N	-1	3	373.272	2.294	20	30		FEEDHM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]CCc1ccc(F)c(F)c1	ZINC000527291106	562284002	/nfs/dbraw/zinc/28/40/02/562284002.db2.gz	BFPYAAKUTVNEEX-UHFFFAOYSA-N	-1	3	367.333	2.266	20	30		FEEDHM
N#C[C@H]1CC[C@@H](NC(=O)Cc2csc(NC(=O)c3cccc([O-])c3)n2)C1	ZINC000424969036	559681687	/nfs/dbraw/zinc/68/16/87/559681687.db2.gz	YUNLJJYQWFLVTC-WCQYABFASA-N	-1	3	370.434	2.452	20	30		FEEDHM
COC(=O)c1cnc([C@@H](C)[N-]S(=O)(=O)c2ccc(C#N)c(C)c2)s1	ZINC000425207701	559691163	/nfs/dbraw/zinc/69/11/63/559691163.db2.gz	QSBWMARGBQVHCO-SNVBAGLBSA-N	-1	3	365.436	2.149	20	30		FEEDHM
C=CCCn1cc(C(=O)[N-]c2cc(C(=O)OC)cc([N+](=O)[O-])c2C)nn1	ZINC000425560886	559709790	/nfs/dbraw/zinc/70/97/90/559709790.db2.gz	NIVTXSGMACIHGI-UHFFFAOYSA-N	-1	3	359.342	2.110	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CCCC(C)(C)[C@@H]1C#N	ZINC000434433179	559900253	/nfs/dbraw/zinc/90/02/53/559900253.db2.gz	PRYFQJYKDHDDJK-WFASDCNBSA-N	-1	3	367.446	2.033	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]CCCN(C(=O)C2CCC2)C2CC2)s1	ZINC000435432982	559922898	/nfs/dbraw/zinc/92/28/98/559922898.db2.gz	PNUGVLUBEJULNE-UHFFFAOYSA-N	-1	3	367.496	2.079	20	30		FEEDHM
CCC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)s1)c1nnc2ccccn21	ZINC000435436400	559923012	/nfs/dbraw/zinc/92/30/12/559923012.db2.gz	FVEXHUCMEZKSDZ-GFCCVEGCSA-N	-1	3	361.452	2.482	20	30		FEEDHM
C=C(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-]	ZINC000435587763	559925604	/nfs/dbraw/zinc/92/56/04/559925604.db2.gz	JALSFOAIIMLLRV-DZGCQCFKSA-N	-1	3	354.428	2.471	20	30		FEEDHM
C[C@@H](C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1cccc(C#N)c1	ZINC000436634346	559947287	/nfs/dbraw/zinc/94/72/87/559947287.db2.gz	KCZLVHJFNOVOHS-OAHLLOKOSA-N	-1	3	363.417	2.352	20	30		FEEDHM
CC(C)(CCC#N)CNC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1	ZINC000436691709	559949015	/nfs/dbraw/zinc/94/90/15/559949015.db2.gz	KDQIDKAITITKHM-UHFFFAOYSA-N	-1	3	358.442	2.190	20	30		FEEDHM
C[C@@H](COCC(F)(F)F)[N-]S(=O)(=O)c1ccc(Cl)cc1C#N	ZINC000443029729	560066558	/nfs/dbraw/zinc/06/65/58/560066558.db2.gz	RDSQIEQWYLUORR-QMMMGPOBSA-N	-1	3	356.753	2.457	20	30		FEEDHM
COc1ccc(C[N-]S(=O)(=O)c2ccc(F)cc2C#N)cc1[N+](=O)[O-]	ZINC000443024584	560066499	/nfs/dbraw/zinc/06/64/99/560066499.db2.gz	ZNIBQESZZYOZMH-UHFFFAOYSA-N	-1	3	365.342	2.093	20	30		FEEDHM
N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CC(=O)Nc1cccc(F)c1	ZINC000443036953	560067114	/nfs/dbraw/zinc/06/71/14/560067114.db2.gz	MTWREBJNKKWPNV-UHFFFAOYSA-N	-1	3	367.789	2.268	20	30		FEEDHM
N#Cc1cc(F)ccc1S(=O)(=O)[N-]Cc1cccc(-n2ccnc2)c1	ZINC000443132644	560072065	/nfs/dbraw/zinc/07/20/65/560072065.db2.gz	LFTBOXXRWJBJHX-UHFFFAOYSA-N	-1	3	356.382	2.362	20	30		FEEDHM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1C[C@@H]1Cc1ccccc1	ZINC000443242869	560076054	/nfs/dbraw/zinc/07/60/54/560076054.db2.gz	CKQGHOBUCYAHNO-DZGCQCFKSA-N	-1	3	357.391	2.376	20	30		FEEDHM
N#C[C@@H](NC(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O)C1CC1	ZINC000444175240	560104033	/nfs/dbraw/zinc/10/40/33/560104033.db2.gz	JNHFVSOUICBDFJ-LLVKDONJSA-N	-1	3	351.284	2.459	20	30		FEEDHM
N#CCCCn1cc(C(=O)Nc2nnc(SCCO)[n-]2)c2ccccc21	ZINC000444825028	560121775	/nfs/dbraw/zinc/12/17/75/560121775.db2.gz	VIKNBMGVPGWXHP-UHFFFAOYSA-N	-1	3	370.438	2.400	20	30		FEEDHM
N#CCCCn1cc(C(=O)Nc2nc(SCCO)n[n-]2)c2ccccc21	ZINC000444825028	560121776	/nfs/dbraw/zinc/12/17/76/560121776.db2.gz	VIKNBMGVPGWXHP-UHFFFAOYSA-N	-1	3	370.438	2.400	20	30		FEEDHM
N#CCCCn1cc(C(=O)Nc2n[n-]c(SCCO)n2)c2ccccc21	ZINC000444825028	560121777	/nfs/dbraw/zinc/12/17/77/560121777.db2.gz	VIKNBMGVPGWXHP-UHFFFAOYSA-N	-1	3	370.438	2.400	20	30		FEEDHM
N#C[C@@H]1CN(C(=O)Cc2ccc([O-])c(F)c2)CCN1Cc1ccccc1	ZINC000449872519	560243597	/nfs/dbraw/zinc/24/35/97/560243597.db2.gz	QXRWREJQGYWTOQ-QGZVFWFLSA-N	-1	3	353.397	2.310	20	30		FEEDHM
CC(C)(C)c1nnc(C[N-]S(=O)(=O)Cc2ccc(F)cc2C#N)s1	ZINC000451311607	560299596	/nfs/dbraw/zinc/29/95/96/560299596.db2.gz	DZAYRESNVMKORL-UHFFFAOYSA-N	-1	3	368.459	2.466	20	30		FEEDHM
CC1(C)OCC[C@@H]1[N-]S(=O)(=O)c1cccc(Br)c1C#N	ZINC000451704420	560323304	/nfs/dbraw/zinc/32/33/04/560323304.db2.gz	XGIUTRPTSIJJHZ-LBPRGKRZSA-N	-1	3	359.245	2.167	20	30		FEEDHM
Cn1c2cc([O-])c(NC(=O)c3cc(C#N)ccc3Cl)cc2n(C)c1=O	ZINC000461620118	560777286	/nfs/dbraw/zinc/77/72/86/560777286.db2.gz	VDABGBZNXZXZBQ-UHFFFAOYSA-N	-1	3	356.769	2.360	20	30		FEEDHM
N#CC(=C([O-])c1ccc(OCC(N)=O)cc1)c1cc(C(F)(F)F)ccn1	ZINC000464472610	560842736	/nfs/dbraw/zinc/84/27/36/560842736.db2.gz	DYEKBOTWFPDBCB-ZDUSSCGKSA-N	-1	3	363.295	2.455	20	30		FEEDHM
Cc1ccc(-c2nc(C[N-]S(=O)(=O)c3ccc(C#N)nc3)co2)cc1	ZINC000466934829	560899634	/nfs/dbraw/zinc/89/96/34/560899634.db2.gz	ZKXZXGBPLOERBU-UHFFFAOYSA-N	-1	3	354.391	2.395	20	30		FEEDHM
CO[C@@H](CC[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C(F)(F)F	ZINC000469020316	560944940	/nfs/dbraw/zinc/94/49/40/560944940.db2.gz	QPYKSULQLYQZGK-NSHDSACASA-N	-1	3	356.753	2.457	20	30		FEEDHM
N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](CO)c2cccc(F)c2)c1	ZINC000475787513	561105225	/nfs/dbraw/zinc/10/52/25/561105225.db2.gz	DJGQKGSZHPNQHV-CQSZACIVSA-N	-1	3	354.790	2.363	20	30		FEEDHM
N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H](O)CCc2ccccc2)c1	ZINC000476220687	561113530	/nfs/dbraw/zinc/11/35/30/561113530.db2.gz	NFTKHXICDDWENR-HNNXBMFYSA-N	-1	3	364.854	2.484	20	30		FEEDHM
Cn1cc(C[N-]S(=O)(=O)CC2(C#N)CCCCC2)c(C(F)(F)F)n1	ZINC000476401734	561118519	/nfs/dbraw/zinc/11/85/19/561118519.db2.gz	PLVSRCCUYGHWPN-UHFFFAOYSA-N	-1	3	364.393	2.332	20	30		FEEDHM
N#Cc1cccc(CC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)c1	ZINC000531385959	562444363	/nfs/dbraw/zinc/44/43/63/562444363.db2.gz	LZVUOHWICDPMOP-UHFFFAOYSA-N	-1	3	363.417	2.227	20	30		FEEDHM
COc1ccccc1[C@@H](CO)[N-]S(=O)(=O)c1ccc(Cl)cc1C#N	ZINC000532773659	562488250	/nfs/dbraw/zinc/48/82/50/562488250.db2.gz	HVXOHXKZLOKTCY-CQSZACIVSA-N	-1	3	366.826	2.232	20	30		FEEDHM
O=S(=O)([N-][C@@H](CO)CC(F)(F)F)c1ccc(F)c(C(F)(F)F)c1	ZINC000535246599	562553796	/nfs/dbraw/zinc/55/37/96/562553796.db2.gz	IMUSLMFAGFCMMB-ZCFIWIBFSA-N	-1	3	369.258	2.436	20	30		FEEDHM
CSc1[n-]c(=O)c(C(=O)N[C@@H]2CN(C)C[C@H]2c2ccccc2)cc1C#N	ZINC000540901625	562596175	/nfs/dbraw/zinc/59/61/75/562596175.db2.gz	NSQVIEGTBTZYQG-JKSUJKDBSA-N	-1	3	368.462	2.208	20	30		FEEDHM
C[C@@]1(c2ccc(-c3noc(Cc4cccc(C#N)c4)n3)cc2)NC(=O)[N-]C1=O	ZINC000545535618	562628542	/nfs/dbraw/zinc/62/85/42/562628542.db2.gz	ZPRMKMLUNRDWPS-FQEVSTJZSA-N	-1	3	373.372	2.254	20	30		FEEDHM
CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N(C)[C@H]1CCC[C@@H]1C#N	ZINC000602073946	567916808	/nfs/dbraw/zinc/91/68/08/567916808.db2.gz	HOMSDTBMSYLSFD-NEPJUHHUSA-N	-1	3	363.439	2.322	20	30		FEEDHM
Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CCOc1ccccc1C#N	ZINC000737523926	598825263	/nfs/dbraw/zinc/82/52/63/598825263.db2.gz	LVIPMNAMXVEULW-UHFFFAOYSA-N	-1	3	372.392	2.384	20	30		FEEDHM
Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CCOc1ccccc1C#N	ZINC000737523926	598825264	/nfs/dbraw/zinc/82/52/64/598825264.db2.gz	LVIPMNAMXVEULW-UHFFFAOYSA-N	-1	3	372.392	2.384	20	30		FEEDHM
COC(=O)[C@H](N[C@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccc(C#N)cc1	ZINC000736893513	598879293	/nfs/dbraw/zinc/87/92/93/598879293.db2.gz	DSKVMKOVBGAJQG-SJKOYZFVSA-N	-1	3	362.393	2.303	20	30		FEEDHM
COC(=O)[C@H](N[C@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccc(C#N)cc1	ZINC000736893513	598879295	/nfs/dbraw/zinc/87/92/95/598879295.db2.gz	DSKVMKOVBGAJQG-SJKOYZFVSA-N	-1	3	362.393	2.303	20	30		FEEDHM
N#CCCNC(=O)CSc1nc(-c2ccccc2)ccc1-c1nnn[n-]1	ZINC000737693744	598902092	/nfs/dbraw/zinc/90/20/92/598902092.db2.gz	IZUBTGWANTXGCV-UHFFFAOYSA-N	-1	3	365.422	2.051	20	30		FEEDHM
N#CCCNC(=O)CSc1nc(-c2ccccc2)ccc1-c1nn[n-]n1	ZINC000737693744	598902093	/nfs/dbraw/zinc/90/20/93/598902093.db2.gz	IZUBTGWANTXGCV-UHFFFAOYSA-N	-1	3	365.422	2.051	20	30		FEEDHM
N#Cc1cc(NC(=O)c2cc(=O)[nH]c3ccccc32)ccc1-c1nnn[n-]1	ZINC000737710319	598919001	/nfs/dbraw/zinc/91/90/01/598919001.db2.gz	XAGGQZWEEQXXFX-UHFFFAOYSA-N	-1	3	357.333	2.244	20	30		FEEDHM
N#Cc1cc(NC(=O)c2cc(=O)[nH]c3ccccc32)ccc1-c1nn[n-]n1	ZINC000737710319	598919003	/nfs/dbraw/zinc/91/90/03/598919003.db2.gz	XAGGQZWEEQXXFX-UHFFFAOYSA-N	-1	3	357.333	2.244	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2cccc(NC(=O)C3CC3)c2)cc1-c1nnn[n-]1	ZINC000737720144	598927549	/nfs/dbraw/zinc/92/75/49/598927549.db2.gz	YWEFPFNEKHTSOC-UHFFFAOYSA-N	-1	3	373.376	2.339	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2cccc(NC(=O)C3CC3)c2)cc1-c1nn[n-]n1	ZINC000737720144	598927551	/nfs/dbraw/zinc/92/75/51/598927551.db2.gz	YWEFPFNEKHTSOC-UHFFFAOYSA-N	-1	3	373.376	2.339	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2ccn(-c3ccccc3F)n2)cc1-c1nnn[n-]1	ZINC000737719510	598928808	/nfs/dbraw/zinc/92/88/08/598928808.db2.gz	QXZFAYALBWCILS-UHFFFAOYSA-N	-1	3	374.339	2.315	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2ccn(-c3ccccc3F)n2)cc1-c1nn[n-]n1	ZINC000737719510	598928810	/nfs/dbraw/zinc/92/88/10/598928810.db2.gz	QXZFAYALBWCILS-UHFFFAOYSA-N	-1	3	374.339	2.315	20	30		FEEDHM
Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)Oc1ccc(C#N)cc1C	ZINC000737231596	598955642	/nfs/dbraw/zinc/95/56/42/598955642.db2.gz	QDWBQKCWQGPQRK-UHFFFAOYSA-N	-1	3	355.379	2.123	20	30		FEEDHM
Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)Oc1ccc(C#N)cc1C	ZINC000737231596	598955644	/nfs/dbraw/zinc/95/56/44/598955644.db2.gz	QDWBQKCWQGPQRK-UHFFFAOYSA-N	-1	3	355.379	2.123	20	30		FEEDHM
C=CC[C@H](NC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1)c1ccncc1	ZINC000735409353	598968976	/nfs/dbraw/zinc/96/89/76/598968976.db2.gz	CZEDYLUBPCNNFY-BBRMVZONSA-N	-1	3	364.409	2.463	20	30		FEEDHM
C=CC[C@H](NC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1)c1ccncc1	ZINC000735409353	598968977	/nfs/dbraw/zinc/96/89/77/598968977.db2.gz	CZEDYLUBPCNNFY-BBRMVZONSA-N	-1	3	364.409	2.463	20	30		FEEDHM
C=CC[C@H](NC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1)c1ccncc1	ZINC000735409355	598969400	/nfs/dbraw/zinc/96/94/00/598969400.db2.gz	CZEDYLUBPCNNFY-CJNGLKHVSA-N	-1	3	364.409	2.463	20	30		FEEDHM
C=CC[C@H](NC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1)c1ccncc1	ZINC000735409355	598969402	/nfs/dbraw/zinc/96/94/02/598969402.db2.gz	CZEDYLUBPCNNFY-CJNGLKHVSA-N	-1	3	364.409	2.463	20	30		FEEDHM
COc1ccc(C=NNC(=S)Nc2ccc(F)cc2)cc1-c1nnn[n-]1	ZINC000737081324	599125940	/nfs/dbraw/zinc/12/59/40/599125940.db2.gz	NASXUEXRMIDUJM-UHFFFAOYSA-N	-1	3	371.401	2.335	20	30		FEEDHM
COc1ccc(C=NNC(=S)Nc2ccc(F)cc2)cc1-c1nn[n-]n1	ZINC000737081324	599125942	/nfs/dbraw/zinc/12/59/42/599125942.db2.gz	NASXUEXRMIDUJM-UHFFFAOYSA-N	-1	3	371.401	2.335	20	30		FEEDHM
N#Cc1ccc(SCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)nc1	ZINC000737723352	599164424	/nfs/dbraw/zinc/16/44/24/599164424.db2.gz	SYFLHLJLGLVDKQ-UHFFFAOYSA-N	-1	3	362.378	2.476	20	30		FEEDHM
N#Cc1ccc(SCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)nc1	ZINC000737723352	599164426	/nfs/dbraw/zinc/16/44/26/599164426.db2.gz	SYFLHLJLGLVDKQ-UHFFFAOYSA-N	-1	3	362.378	2.476	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc(C2CC2)n(C)n1	ZINC000735419988	599183968	/nfs/dbraw/zinc/18/39/68/599183968.db2.gz	LHVZKRBOOIHLOZ-UHFFFAOYSA-N	-1	3	363.425	2.306	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc(C2CC2)n(C)n1	ZINC000735419988	599183970	/nfs/dbraw/zinc/18/39/70/599183970.db2.gz	LHVZKRBOOIHLOZ-UHFFFAOYSA-N	-1	3	363.425	2.306	20	30		FEEDHM
CCC(CC)CN(CCC#N)C(=O)COc1cccc(-c2nnn[n-]2)c1	ZINC000736337058	598239002	/nfs/dbraw/zinc/23/90/02/598239002.db2.gz	HOKNXARHXUXHAA-UHFFFAOYSA-N	-1	3	356.430	2.424	20	30		FEEDHM
CCC(CC)CN(CCC#N)C(=O)COc1cccc(-c2nn[n-]n2)c1	ZINC000736337058	598239004	/nfs/dbraw/zinc/23/90/04/598239004.db2.gz	HOKNXARHXUXHAA-UHFFFAOYSA-N	-1	3	356.430	2.424	20	30		FEEDHM
C#CCOc1cccc(OC(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)c1	ZINC000735387976	598421944	/nfs/dbraw/zinc/42/19/44/598421944.db2.gz	MZWTWHKZBHMNLY-ZDUSSCGKSA-N	-1	3	364.361	2.252	20	30		FEEDHM
C#CCOc1cccc(OC(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)c1	ZINC000735387976	598421946	/nfs/dbraw/zinc/42/19/46/598421946.db2.gz	MZWTWHKZBHMNLY-ZDUSSCGKSA-N	-1	3	364.361	2.252	20	30		FEEDHM
C=CCSCCNC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1	ZINC000735435860	598479419	/nfs/dbraw/zinc/47/94/19/598479419.db2.gz	AGUMDQBFTJLXFZ-UHFFFAOYSA-N	-1	3	358.471	2.460	20	30		FEEDHM
C=CCSCCNC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1	ZINC000735435860	598479420	/nfs/dbraw/zinc/47/94/20/598479420.db2.gz	AGUMDQBFTJLXFZ-UHFFFAOYSA-N	-1	3	358.471	2.460	20	30		FEEDHM
N#Cc1nc(N2CCN(c3ccccc3-c3nnn[n-]3)CC2)ccc1Cl	ZINC000737729043	598579867	/nfs/dbraw/zinc/57/98/67/598579867.db2.gz	ZFGOHYTTYFDWED-UHFFFAOYSA-N	-1	3	366.816	2.113	20	30		FEEDHM
N#Cc1nc(N2CCN(c3ccccc3-c3nn[n-]n3)CC2)ccc1Cl	ZINC000737729043	598579868	/nfs/dbraw/zinc/57/98/68/598579868.db2.gz	ZFGOHYTTYFDWED-UHFFFAOYSA-N	-1	3	366.816	2.113	20	30		FEEDHM
C=CCOc1ccccc1CNC(=O)NCc1cccc(-c2nnn[n-]2)c1	ZINC000735436267	598714865	/nfs/dbraw/zinc/71/48/65/598714865.db2.gz	IEBGLLHDTIANDP-UHFFFAOYSA-N	-1	3	364.409	2.431	20	30		FEEDHM
C=CCOc1ccccc1CNC(=O)NCc1cccc(-c2nn[n-]n2)c1	ZINC000735436267	598714866	/nfs/dbraw/zinc/71/48/66/598714866.db2.gz	IEBGLLHDTIANDP-UHFFFAOYSA-N	-1	3	364.409	2.431	20	30		FEEDHM
N#Cc1cc(Cl)ccc1N1CCN(c2ncccc2-c2nnn[n-]2)CC1	ZINC000737706241	598792356	/nfs/dbraw/zinc/79/23/56/598792356.db2.gz	WRSJSDDCSMMDEP-UHFFFAOYSA-N	-1	3	366.816	2.113	20	30		FEEDHM
N#Cc1cc(Cl)ccc1N1CCN(c2ncccc2-c2nn[n-]n2)CC1	ZINC000737706241	598792357	/nfs/dbraw/zinc/79/23/57/598792357.db2.gz	WRSJSDDCSMMDEP-UHFFFAOYSA-N	-1	3	366.816	2.113	20	30		FEEDHM
FC(F)(F)c1ccc(N=NCc2cnc3ccc(-c4nn[n-]n4)cn23)nc1	ZINC000737635679	599456802	/nfs/dbraw/zinc/45/68/02/599456802.db2.gz	MKSZMEIULFOYHB-UHFFFAOYSA-N	-1	3	373.302	2.374	20	30		FEEDHM
N#Cc1cccc(C2(NC(=O)CCc3ccc(-c4nnn[n-]4)cc3)CC2)c1	ZINC000826386537	607414861	/nfs/dbraw/zinc/41/48/61/607414861.db2.gz	JCGCJMAQEFYJJE-UHFFFAOYSA-N	-1	3	358.405	2.476	20	30		FEEDHM
N#Cc1cccc(C2(NC(=O)CCc3ccc(-c4nn[n-]n4)cc3)CC2)c1	ZINC000826386537	607414862	/nfs/dbraw/zinc/41/48/62/607414862.db2.gz	JCGCJMAQEFYJJE-UHFFFAOYSA-N	-1	3	358.405	2.476	20	30		FEEDHM
N#Cc1cccc(-c2nnc(CN(CCC(=O)[O-])C3CCOCC3)o2)c1	ZINC000833074151	600858663	/nfs/dbraw/zinc/85/86/63/600858663.db2.gz	QCANZXVLZUOYTO-UHFFFAOYSA-N	-1	3	356.382	2.064	20	30		FEEDHM
N#Cc1ccc(OS(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)cc1	ZINC000826386124	607572434	/nfs/dbraw/zinc/57/24/34/607572434.db2.gz	PVVYRIVVLYUCEN-UHFFFAOYSA-N	-1	3	361.770	2.159	20	30		FEEDHM
COc1cccc(NC(=O)C(C#N)C(=O)[C@H]2CCC[C@@H](NC(=O)[O-])C2)c1	ZINC000829569675	604221833	/nfs/dbraw/zinc/22/18/33/604221833.db2.gz	FTWLZTMPNZXIAY-YWPYICTPSA-N	-1	3	359.382	2.169	20	30		FEEDHM
O=C(Nc1cccc(C#Cc2ccccn2)c1)c1ccc(-c2nnn[n-]2)[nH]1	ZINC000826456831	607690785	/nfs/dbraw/zinc/69/07/85/607690785.db2.gz	ZKQXMHHGOLUXAZ-UHFFFAOYSA-N	-1	3	355.361	2.242	20	30		FEEDHM
O=C(Nc1cccc(C#Cc2ccccn2)c1)c1ccc(-c2nn[n-]n2)[nH]1	ZINC000826456831	607690787	/nfs/dbraw/zinc/69/07/87/607690787.db2.gz	ZKQXMHHGOLUXAZ-UHFFFAOYSA-N	-1	3	355.361	2.242	20	30		FEEDHM
C[C@@H]1CN(CCC(=O)[O-])CCN1Cc1cc(Cl)ccc1OCC#N	ZINC000833628438	605196131	/nfs/dbraw/zinc/19/61/31/605196131.db2.gz	IFOBUKBHXWFKEI-CYBMUJFWSA-N	-1	3	351.834	2.223	20	30		FEEDHM
C=CCOc1ccc(CN2CC[C@H](C(=O)OC)C[C@H]2C(=O)[O-])cc1OC	ZINC000833377691	605727610	/nfs/dbraw/zinc/72/76/10/605727610.db2.gz	JELLBBRTKBMSGF-GJZGRUSLSA-N	-1	3	363.410	2.098	20	30		FEEDHM
N#Cc1cccc(CC(=O)OCCCOc2ccc(-c3nn[n-]n3)cc2)c1	ZINC000822837397	606144122	/nfs/dbraw/zinc/14/41/22/606144122.db2.gz	MWGHIQISTUJVOR-UHFFFAOYSA-N	-1	3	363.377	2.293	20	30		FEEDHM
N#C[C@@H](OC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1)C1CC1	ZINC000822800935	606206005	/nfs/dbraw/zinc/20/60/05/606206005.db2.gz	BAFWJNUYIUAULR-MRXNPFEDSA-N	-1	3	365.349	2.498	20	30		FEEDHM
N#C[C@@H](OC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1)C1CC1	ZINC000822800935	606206006	/nfs/dbraw/zinc/20/60/06/606206006.db2.gz	BAFWJNUYIUAULR-MRXNPFEDSA-N	-1	3	365.349	2.498	20	30		FEEDHM
CCOc1cc(C#N)cc(Cl)c1OC(=O)c1cc(-c2nnn[n-]2)cn1C	ZINC000821394525	606212879	/nfs/dbraw/zinc/21/28/79/606212879.db2.gz	LCUVNMITQCMSPZ-UHFFFAOYSA-N	-1	3	372.772	2.348	20	30		FEEDHM
CCOc1cc(C#N)cc(Cl)c1OC(=O)c1cc(-c2nn[n-]n2)cn1C	ZINC000821394525	606212881	/nfs/dbraw/zinc/21/28/81/606212881.db2.gz	LCUVNMITQCMSPZ-UHFFFAOYSA-N	-1	3	372.772	2.348	20	30		FEEDHM
N#Cc1ccsc1N1CC[C@@H](Sc2ccc(-c3nnn[n-]3)cn2)C1=O	ZINC000822842714	606311164	/nfs/dbraw/zinc/31/11/64/606311164.db2.gz	VJSNNYBSYIUONF-LLVKDONJSA-N	-1	3	369.435	2.092	20	30		FEEDHM
N#Cc1ccsc1N1CC[C@@H](Sc2ccc(-c3nn[n-]n3)cn2)C1=O	ZINC000822842714	606311166	/nfs/dbraw/zinc/31/11/66/606311166.db2.gz	VJSNNYBSYIUONF-LLVKDONJSA-N	-1	3	369.435	2.092	20	30		FEEDHM
COC(=O)[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)Cc1cccc(C#N)c1	ZINC000821650693	606315573	/nfs/dbraw/zinc/31/55/73/606315573.db2.gz	XDVWFEBLMAAYCS-QGZVFWFLSA-N	-1	3	362.393	2.084	20	30		FEEDHM
COC(=O)[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)Cc1cccc(C#N)c1	ZINC000821650693	606315574	/nfs/dbraw/zinc/31/55/74/606315574.db2.gz	XDVWFEBLMAAYCS-QGZVFWFLSA-N	-1	3	362.393	2.084	20	30		FEEDHM
CSc1nc(C2CC2)cc(C(=O)N[C@@H]2CCC[C@@H]2C#N)c1-c1nnn[n-]1	ZINC000821990840	606325368	/nfs/dbraw/zinc/32/53/68/606325368.db2.gz	XAWGARNKMAVSKH-ZYHUDNBSSA-N	-1	3	369.454	2.283	20	30		FEEDHM
Cc1nc(SCC(=O)N[C@@H]2CCC[C@H]2C#N)c(-c2nnn[n-]2)c(C)c1C	ZINC000822453893	606325419	/nfs/dbraw/zinc/32/54/19/606325419.db2.gz	PXBLFBCQOGFIEX-QWHCGFSZSA-N	-1	3	371.470	2.088	20	30		FEEDHM
Cc1nc(SCC(=O)N[C@@H]2CCC[C@H]2C#N)c(-c2nn[n-]n2)c(C)c1C	ZINC000822453893	606325420	/nfs/dbraw/zinc/32/54/20/606325420.db2.gz	PXBLFBCQOGFIEX-QWHCGFSZSA-N	-1	3	371.470	2.088	20	30		FEEDHM
C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](C#N)C1CCCCC1	ZINC000820529108	606362450	/nfs/dbraw/zinc/36/24/50/606362450.db2.gz	PDGQEHRSHWORBZ-LRDDRELGSA-N	-1	3	354.414	2.223	20	30		FEEDHM
O=[N+]([O-])c1ccc(N=NCc2ccc(-c3nnn[n-]3)s2)c([N+](=O)[O-])c1	ZINC000823640088	606368235	/nfs/dbraw/zinc/36/82/35/606368235.db2.gz	RROAMVYPZWEJDL-UHFFFAOYSA-N	-1	3	360.315	2.191	20	30		FEEDHM
N#CCCN(Cc1ccccn1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1	ZINC000822810330	606661046	/nfs/dbraw/zinc/66/10/46/606661046.db2.gz	FIQOPWYGCGIAHJ-UHFFFAOYSA-N	-1	3	366.360	2.349	20	30		FEEDHM
N#CCCN(Cc1ccccn1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1	ZINC000822810330	606661047	/nfs/dbraw/zinc/66/10/47/606661047.db2.gz	FIQOPWYGCGIAHJ-UHFFFAOYSA-N	-1	3	366.360	2.349	20	30		FEEDHM
C#CCOc1cccc(OC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c1	ZINC000819709269	606677754	/nfs/dbraw/zinc/67/77/54/606677754.db2.gz	ADXCXRVFUYMFRR-UHFFFAOYSA-N	-1	3	356.288	2.376	20	30		FEEDHM
C#CCOc1cccc(OC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1	ZINC000819709269	606677755	/nfs/dbraw/zinc/67/77/55/606677755.db2.gz	ADXCXRVFUYMFRR-UHFFFAOYSA-N	-1	3	356.288	2.376	20	30		FEEDHM
N#Cc1cc(-c2nnn[n-]2)c(N)nc1SCc1ccn(C2CCCC2)n1	ZINC000822818689	606837842	/nfs/dbraw/zinc/83/78/42/606837842.db2.gz	FMZCXBMSWDFEKK-UHFFFAOYSA-N	-1	3	367.442	2.319	20	30		FEEDHM
N#Cc1cc(-c2nn[n-]n2)c(N)nc1SCc1ccn(C2CCCC2)n1	ZINC000822818689	606837843	/nfs/dbraw/zinc/83/78/43/606837843.db2.gz	FMZCXBMSWDFEKK-UHFFFAOYSA-N	-1	3	367.442	2.319	20	30		FEEDHM
C[C@@H](Oc1ccc(C#N)cc1)C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1	ZINC000820533913	606991652	/nfs/dbraw/zinc/99/16/52/606991652.db2.gz	HVIVMVLJJNSWJQ-LLVKDONJSA-N	-1	3	367.340	2.388	20	30		FEEDHM
C[C@@H](Oc1ccc(C#N)cc1)C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1	ZINC000820533913	606991654	/nfs/dbraw/zinc/99/16/54/606991654.db2.gz	HVIVMVLJJNSWJQ-LLVKDONJSA-N	-1	3	367.340	2.388	20	30		FEEDHM
N#Cc1ccc(F)cc1CSc1nc(N)c(-c2nnn[n-]2)cc1C#N	ZINC000822829927	607026680	/nfs/dbraw/zinc/02/66/80/607026680.db2.gz	POANVKSPGLQRTE-UHFFFAOYSA-N	-1	3	352.358	2.019	20	30		FEEDHM
N#Cc1ccc(F)cc1CSc1nc(N)c(-c2nn[n-]n2)cc1C#N	ZINC000822829927	607026681	/nfs/dbraw/zinc/02/66/81/607026681.db2.gz	POANVKSPGLQRTE-UHFFFAOYSA-N	-1	3	352.358	2.019	20	30		FEEDHM
C[C@@H](Oc1ccc(C#N)cc1F)C(=O)Nc1cccc(-c2nnn[n-]2)c1	ZINC000820533024	607134440	/nfs/dbraw/zinc/13/44/40/607134440.db2.gz	AUKFIDYCFSWVHY-SNVBAGLBSA-N	-1	3	352.329	2.283	20	30		FEEDHM
C[C@@H](Oc1ccc(C#N)cc1F)C(=O)Nc1cccc(-c2nn[n-]n2)c1	ZINC000820533024	607134441	/nfs/dbraw/zinc/13/44/41/607134441.db2.gz	AUKFIDYCFSWVHY-SNVBAGLBSA-N	-1	3	352.329	2.283	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H](C)C[C@H]1CCOC1	ZINC000819744116	607144907	/nfs/dbraw/zinc/14/49/07/607144907.db2.gz	XBCXQNFIELYPNK-GDBMZVCRSA-N	-1	3	370.457	2.379	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H](C)C[C@H]1CCOC1	ZINC000819744116	607144908	/nfs/dbraw/zinc/14/49/08/607144908.db2.gz	XBCXQNFIELYPNK-GDBMZVCRSA-N	-1	3	370.457	2.379	20	30		FEEDHM
N#CCCN(C(=O)COc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1	ZINC000822807140	607170818	/nfs/dbraw/zinc/17/08/18/607170818.db2.gz	ZPRUQTUEJWAKKU-UHFFFAOYSA-N	-1	3	366.356	2.331	20	30		FEEDHM
N#CCCN(C(=O)COc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1	ZINC000822807140	607170819	/nfs/dbraw/zinc/17/08/19/607170819.db2.gz	ZPRUQTUEJWAKKU-UHFFFAOYSA-N	-1	3	366.356	2.331	20	30		FEEDHM
C#CCN(Cc1ccc(F)cc1)C(=O)c1ncc(-c2nnn[n-]2)cc1Cl	ZINC000819701468	607233493	/nfs/dbraw/zinc/23/34/93/607233493.db2.gz	IRVUJLSJKMCLLM-UHFFFAOYSA-N	-1	3	370.775	2.330	20	30		FEEDHM
C#CCN(Cc1ccc(F)cc1)C(=O)c1ncc(-c2nn[n-]n2)cc1Cl	ZINC000819701468	607233494	/nfs/dbraw/zinc/23/34/94/607233494.db2.gz	IRVUJLSJKMCLLM-UHFFFAOYSA-N	-1	3	370.775	2.330	20	30		FEEDHM
Cc1nc(-c2cccc(C#N)c2)nn1C[C@@H](O)c1ccc(-c2nnn[n-]2)cc1	ZINC000826322357	607869327	/nfs/dbraw/zinc/86/93/27/607869327.db2.gz	JGYRYERMGBUHEJ-QGZVFWFLSA-N	-1	3	372.392	2.039	20	30		FEEDHM
Cc1nc(-c2cccc(C#N)c2)nn1C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1	ZINC000826322357	607869328	/nfs/dbraw/zinc/86/93/28/607869328.db2.gz	JGYRYERMGBUHEJ-QGZVFWFLSA-N	-1	3	372.392	2.039	20	30		FEEDHM
C=C(C)[C@@H](CC(=O)O[C@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1)OCC	ZINC000823872997	607920035	/nfs/dbraw/zinc/92/00/35/607920035.db2.gz	GJCJFFTXWDTUNV-IUODEOHRSA-N	-1	3	373.413	2.108	20	30		FEEDHM
C=C(C)[C@@H](CC(=O)O[C@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1)OCC	ZINC000823872997	607920036	/nfs/dbraw/zinc/92/00/36/607920036.db2.gz	GJCJFFTXWDTUNV-IUODEOHRSA-N	-1	3	373.413	2.108	20	30		FEEDHM
N#Cc1ccc2c(c1)N(C(=O)c1c(F)cc(-c3nnn[n-]3)cc1F)CC2	ZINC000826386273	607946720	/nfs/dbraw/zinc/94/67/20/607946720.db2.gz	WXGSBXBCWAMXGS-UHFFFAOYSA-N	-1	3	352.304	2.219	20	30		FEEDHM
N#Cc1ccc2c(c1)N(C(=O)c1c(F)cc(-c3nn[n-]n3)cc1F)CC2	ZINC000826386273	607946721	/nfs/dbraw/zinc/94/67/21/607946721.db2.gz	WXGSBXBCWAMXGS-UHFFFAOYSA-N	-1	3	352.304	2.219	20	30		FEEDHM
C#CCNC(=S)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1	ZINC000823850198	607966958	/nfs/dbraw/zinc/96/69/58/607966958.db2.gz	LCAASQFWRNPWKU-UHFFFAOYSA-N	-1	3	354.464	2.193	20	30		FEEDHM
N#Cc1cc2c(nc1N1CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C1)CCC2	ZINC000826384126	608053409	/nfs/dbraw/zinc/05/34/09/608053409.db2.gz	HWESRRAVTJRWIM-SFHVURJKSA-N	-1	3	373.420	2.200	20	30		FEEDHM
N#Cc1cc2c(nc1N1CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C1)CCC2	ZINC000826384126	608053410	/nfs/dbraw/zinc/05/34/10/608053410.db2.gz	HWESRRAVTJRWIM-SFHVURJKSA-N	-1	3	373.420	2.200	20	30		FEEDHM
COCCn1nc(C)c(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)c1C	ZINC000826163889	608230698	/nfs/dbraw/zinc/23/06/98/608230698.db2.gz	QAFZCHYUTGLOJX-PLNGDYQASA-N	-1	3	358.427	2.284	20	30		FEEDHM
COCCn1nc(C)c(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)c1C	ZINC000826163889	608230699	/nfs/dbraw/zinc/23/06/99/608230699.db2.gz	QAFZCHYUTGLOJX-PLNGDYQASA-N	-1	3	358.427	2.284	20	30		FEEDHM
C=CCN(C(=O)CCCOc1ccc(-c2nnn[n-]2)cc1OC)C1CC1	ZINC000823898761	608250036	/nfs/dbraw/zinc/25/00/36/608250036.db2.gz	ABIKGSHXUKJHBR-UHFFFAOYSA-N	-1	3	357.414	2.211	20	30		FEEDHM
C=CCN(C(=O)CCCOc1ccc(-c2nn[n-]n2)cc1OC)C1CC1	ZINC000823898761	608250037	/nfs/dbraw/zinc/25/00/37/608250037.db2.gz	ABIKGSHXUKJHBR-UHFFFAOYSA-N	-1	3	357.414	2.211	20	30		FEEDHM
COc1cc(-c2nnn[n-]2)ccc1CON=CC(=O)Nc1ccccc1	ZINC000826173105	608322438	/nfs/dbraw/zinc/32/24/38/608322438.db2.gz	NJAOSWASIZQLIS-UHFFFAOYSA-N	-1	3	352.354	2.016	20	30		FEEDHM
COc1cc(-c2nn[n-]n2)ccc1CON=CC(=O)Nc1ccccc1	ZINC000826173105	608322440	/nfs/dbraw/zinc/32/24/40/608322440.db2.gz	NJAOSWASIZQLIS-UHFFFAOYSA-N	-1	3	352.354	2.016	20	30		FEEDHM
N#Cc1ccc(OC2CCC(Nc3ccc(-c4nnn[n-]4)cn3)CC2)nc1	ZINC000826386291	608558558	/nfs/dbraw/zinc/55/85/58/608558558.db2.gz	XRFXWKDOTOLDSU-UHFFFAOYSA-N	-1	3	362.397	2.330	20	30		FEEDHM
N#Cc1ccc(OC2CCC(Nc3ccc(-c4nn[n-]n4)cn3)CC2)nc1	ZINC000826386291	608558560	/nfs/dbraw/zinc/55/85/60/608558560.db2.gz	XRFXWKDOTOLDSU-UHFFFAOYSA-N	-1	3	362.397	2.330	20	30		FEEDHM
CC(=NNC(=S)NCc1ccccc1)c1ccc(-c2nnn[n-]2)c(F)c1	ZINC000823953500	609157123	/nfs/dbraw/zinc/15/71/23/609157123.db2.gz	CSWKPHLIVDLONV-UHFFFAOYSA-N	-1	3	369.429	2.394	20	30		FEEDHM
CC(=NNC(=S)NCc1ccccc1)c1ccc(-c2nn[n-]n2)c(F)c1	ZINC000823953500	609157124	/nfs/dbraw/zinc/15/71/24/609157124.db2.gz	CSWKPHLIVDLONV-UHFFFAOYSA-N	-1	3	369.429	2.394	20	30		FEEDHM
CCC(CC)CN(CCC#N)C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1	ZINC000825106468	609223754	/nfs/dbraw/zinc/22/37/54/609223754.db2.gz	CUOKWKFUDPONGT-INIZCTEOSA-N	-1	3	356.430	2.079	20	30		FEEDHM
CCC(CC)CN(CCC#N)C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1	ZINC000825106468	609223756	/nfs/dbraw/zinc/22/37/56/609223756.db2.gz	CUOKWKFUDPONGT-INIZCTEOSA-N	-1	3	356.430	2.079	20	30		FEEDHM
N#Cc1ccc(NC(=O)COc2cccc3cccnc32)cc1-c1nnn[n-]1	ZINC000826385535	609234479	/nfs/dbraw/zinc/23/44/79/609234479.db2.gz	QCXJICKMYSTOCD-UHFFFAOYSA-N	-1	3	371.360	2.304	20	30		FEEDHM
N#Cc1ccc(NC(=O)COc2cccc3cccnc32)cc1-c1nn[n-]n1	ZINC000826385535	609234480	/nfs/dbraw/zinc/23/44/80/609234480.db2.gz	QCXJICKMYSTOCD-UHFFFAOYSA-N	-1	3	371.360	2.304	20	30		FEEDHM
Cc1nn(C)cc1C(=O)C=Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1	ZINC000826334299	609309726	/nfs/dbraw/zinc/30/97/26/609309726.db2.gz	PDTABIWQKIINBQ-CMDGGOBGSA-N	-1	3	374.408	2.205	20	30		FEEDHM
Cc1nn(C)cc1C(=O)C=Cc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1	ZINC000826334299	609309728	/nfs/dbraw/zinc/30/97/28/609309728.db2.gz	PDTABIWQKIINBQ-CMDGGOBGSA-N	-1	3	374.408	2.205	20	30		FEEDHM
CC(=O)Nc1ccc(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)cc1	ZINC000824000172	609367764	/nfs/dbraw/zinc/36/77/64/609367764.db2.gz	XVKAEWCKIGNIOS-BQYQJAHWSA-N	-1	3	373.376	2.369	20	30		FEEDHM
CC(=O)Nc1ccc(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)cc1	ZINC000824000172	609367768	/nfs/dbraw/zinc/36/77/68/609367768.db2.gz	XVKAEWCKIGNIOS-BQYQJAHWSA-N	-1	3	373.376	2.369	20	30		FEEDHM
C=CCN(Cc1ccc(C(=O)OC)[nH]1)Cc1cccc(-c2nn[n-]n2)c1	ZINC000823914301	609406885	/nfs/dbraw/zinc/40/68/85/609406885.db2.gz	FFPGLIULTATTQX-UHFFFAOYSA-N	-1	3	352.398	2.170	20	30		FEEDHM
COc1ccc(O)cc1C(=O)C=Cc1ccc(OC)c(-c2nnn[n-]2)c1	ZINC000826210610	609507172	/nfs/dbraw/zinc/50/71/72/609507172.db2.gz	XZYPVRVIYPMHJT-UTCJRWHESA-N	-1	3	352.350	2.486	20	30		FEEDHM
COc1ccc(O)cc1C(=O)C=Cc1ccc(OC)c(-c2nn[n-]n2)c1	ZINC000826210610	609507174	/nfs/dbraw/zinc/50/71/74/609507174.db2.gz	XZYPVRVIYPMHJT-UTCJRWHESA-N	-1	3	352.350	2.486	20	30		FEEDHM
C#C[C@H]([N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F)[C@H]1CCCO1	ZINC000813692271	674770303	/nfs/dbraw/zinc/77/03/03/674770303.db2.gz	FWXYKRXQNAEMNU-VHSXEESVSA-N	-1	3	367.320	2.183	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)OCCC2(OC)CCC2)ccc1F	ZINC000815187075	674927340	/nfs/dbraw/zinc/92/73/40/674927340.db2.gz	XFFYKNPPBHXEKW-UHFFFAOYSA-N	-1	3	371.430	2.406	20	30		FEEDHM
Cc1noc(C)c1CSc1ccccc1C(=O)N[C@@H]1CCN([O-])C1=O	ZINC000816696886	675073609	/nfs/dbraw/zinc/07/36/09/675073609.db2.gz	LDFQLWBHEARSOJ-CQSZACIVSA-N	-1	3	361.423	2.304	20	30		FEEDHM
O=C(CCc1cc(F)ccc1Br)N[C@H]1CCCN([O-])C1=O	ZINC000816756183	675077892	/nfs/dbraw/zinc/07/78/92/675077892.db2.gz	RWPNYLXGWUXSPX-LBPRGKRZSA-N	-1	3	359.195	2.017	20	30		FEEDHM
O=C(Nc1ccc(C(=O)N[C@H]2CCCN([O-])C2=O)cc1)c1cccs1	ZINC000816756722	675077897	/nfs/dbraw/zinc/07/78/97/675077897.db2.gz	CXNPCPFSIQQWEL-ZDUSSCGKSA-N	-1	3	359.407	2.110	20	30		FEEDHM
O=C(Nc1ccccc1C(=O)N[C@H]1CCCN([O-])C1=O)c1cccs1	ZINC000816758171	675078170	/nfs/dbraw/zinc/07/81/70/675078170.db2.gz	JNGOUYSKNUHDRX-ZDUSSCGKSA-N	-1	3	359.407	2.110	20	30		FEEDHM
C#CCN(Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1)C1CCCC1	ZINC000155884210	672239714	/nfs/dbraw/zinc/23/97/14/672239714.db2.gz	RSPOERHDZIKITO-UHFFFAOYSA-N	-1	3	359.451	2.457	20	30		FEEDHM
COC(=O)C(C)(C)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)o1)c1ccccc1	ZINC000588120109	672451113	/nfs/dbraw/zinc/45/11/13/672451113.db2.gz	VPYYXQQVYCOINV-HNNXBMFYSA-N	-1	3	362.407	2.370	20	30		FEEDHM
CC(C)OCc1nc([C@@H](C)[N-]S(=O)(=O)c2cccc(CC#N)c2)no1	ZINC000589308386	672521490	/nfs/dbraw/zinc/52/14/90/672521490.db2.gz	QCOQIHIEPDABBU-GFCCVEGCSA-N	-1	3	364.427	2.100	20	30		FEEDHM
N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H]1CC[C@](O)(C(F)(F)F)C1	ZINC000589924454	672548247	/nfs/dbraw/zinc/54/82/47/672548247.db2.gz	XVNHVLRTHLETEB-PRHODGIISA-N	-1	3	368.764	2.336	20	30		FEEDHM
N#Cc1cccnc1NCC[N-]S(=O)(=O)c1cc(F)ccc1Cl	ZINC000728585355	673204759	/nfs/dbraw/zinc/20/47/59/673204759.db2.gz	IDFIMIWIQUTLPC-UHFFFAOYSA-N	-1	3	354.794	2.136	20	30		FEEDHM
CN1Cc2ccccc2[C@@H]([N-]S(=O)(=O)CC2(C#N)CCCCC2)C1=O	ZINC000598940644	673623716	/nfs/dbraw/zinc/62/37/16/673623716.db2.gz	PUZPXDDKYIGQBB-MRXNPFEDSA-N	-1	3	361.467	2.093	20	30		FEEDHM
Cc1ncc(CNC(=O)CSc2nc(C)c(C)c(C)c2C#N)c(=O)[n-]1	ZINC000543318686	673639611	/nfs/dbraw/zinc/63/96/11/673639611.db2.gz	VEKQETXHZHUQAX-UHFFFAOYSA-N	-1	3	357.439	2.091	20	30		FEEDHM
O=C(N[C@@H]1CCN([O-])C1=O)c1ccc(OC(F)(F)F)cc1C(F)(F)F	ZINC000820126819	675337871	/nfs/dbraw/zinc/33/78/71/675337871.db2.gz	GOZVJKIBZOJEBC-SECBINFHSA-N	-1	3	372.221	2.324	20	30		FEEDHM
O=C(N[C@H]1CCN([O-])C1=O)c1ccc(C(F)(F)F)cc1N1CCCC1	ZINC000820143955	675339147	/nfs/dbraw/zinc/33/91/47/675339147.db2.gz	PNJSGTJTZZLLGS-LBPRGKRZSA-N	-1	3	357.332	2.026	20	30		FEEDHM
C[C@H](Sc1ccnc2cc(Cl)ccc21)C(=O)N[C@@H]1CCN([O-])C1=O	ZINC000820149506	675339671	/nfs/dbraw/zinc/33/96/71/675339671.db2.gz	PPBLLZCAUAEWAY-JOYOIKCWSA-N	-1	3	365.842	2.475	20	30		FEEDHM
C=CCNC(=O)NC(=O)[C@H](C)Sc1cccc(Cl)c1-c1nnn[n-]1	ZINC000823925943	675577032	/nfs/dbraw/zinc/57/70/32/675577032.db2.gz	RSZDQMSDWRYMNP-QMMMGPOBSA-N	-1	3	366.834	2.013	20	30		FEEDHM
C=CCNC(=O)NC(=O)[C@H](C)Sc1cccc(Cl)c1-c1nn[n-]n1	ZINC000823925943	675577033	/nfs/dbraw/zinc/57/70/33/675577033.db2.gz	RSZDQMSDWRYMNP-QMMMGPOBSA-N	-1	3	366.834	2.013	20	30		FEEDHM
Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)o1	ZINC000619712153	676391807	/nfs/dbraw/zinc/39/18/07/676391807.db2.gz	PCUDDJVVIJDVDA-SSDOTTSWSA-N	-1	3	360.317	2.308	20	30		FEEDHM
C=CCCC[N-]S(=O)(=O)c1c(C)nn2cc(Br)cnc12	ZINC000632289237	676985985	/nfs/dbraw/zinc/98/59/85/676985985.db2.gz	RJMGVEIYOUITAL-UHFFFAOYSA-N	-1	3	359.249	2.045	20	30		FEEDHM
C=CCOc1cccc([N-]S(=O)(=O)C[C@H](OC)C2CCOCC2)c1	ZINC000645639276	677266883	/nfs/dbraw/zinc/26/68/83/677266883.db2.gz	HHQFMALFZCVPPE-KRWDZBQOSA-N	-1	3	355.456	2.435	20	30		FEEDHM
C=CC1CCN(C(=O)C[C@@H](C)[N-]S(=O)(=O)c2cccnc2Cl)CC1	ZINC000760569726	680693003	/nfs/dbraw/zinc/69/30/03/680693003.db2.gz	PHWOLYMPHUIASR-GFCCVEGCSA-N	-1	3	371.890	2.217	20	30		FEEDHM
C#CCNC(=O)C1CCN(Cc2cccc([O-])c2Br)CC1	ZINC000838803861	680720309	/nfs/dbraw/zinc/72/03/09/680720309.db2.gz	YTDNBZWMLUHZKO-UHFFFAOYSA-N	-1	3	351.244	2.116	20	30		FEEDHM
C[C@@H]1CC(NC(=O)c2c[n-]c3ccc(Br)cc3c2=O)=NO1	ZINC000768132482	680938869	/nfs/dbraw/zinc/93/88/69/680938869.db2.gz	PIBSCAWOFUTUCX-SSDOTTSWSA-N	-1	3	350.172	2.143	20	30		FEEDHM
C#CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)CCCC)cc1	ZINC000840945305	680855747	/nfs/dbraw/zinc/85/57/47/680855747.db2.gz	IASNBLWLGPBWSD-UHFFFAOYSA-N	-1	3	372.512	2.262	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)OCC[C@H]2CCCC2=O)ccc1F	ZINC000748177939	679938834	/nfs/dbraw/zinc/93/88/34/679938834.db2.gz	SIGMZSNYXKYIGY-GFCCVEGCSA-N	-1	3	369.414	2.206	20	30		FEEDHM
C#Cc1ccc(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([N-]C(=O)C(F)F)C2)cc1	ZINC001008786732	679957157	/nfs/dbraw/zinc/95/71/57/679957157.db2.gz	DYWHBZAOMOKFOE-VXGBXAGGSA-N	-1	3	360.282	2.052	20	30		FEEDHM
N#CCCCS(=O)(=O)[N-]C[C@](O)(c1ccc(Cl)cc1)C(F)(F)F	ZINC000751292106	680166059	/nfs/dbraw/zinc/16/60/59/680166059.db2.gz	MGOFLNKEAAIOMH-LBPRGKRZSA-N	-1	3	370.780	2.313	20	30		FEEDHM
CC(C)C[C@H](C)NC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000752226185	680230815	/nfs/dbraw/zinc/23/08/15/680230815.db2.gz	GIMIICPXDBLYIU-QWHCGFSZSA-N	-1	3	351.472	2.055	20	30		FEEDHM
O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)OC[C@@H]1CCCCC1(F)F	ZINC000835648950	680365396	/nfs/dbraw/zinc/36/53/96/680365396.db2.gz	VZWJIVPVKGLTTG-NSHDSACASA-N	-1	3	372.393	2.094	20	30		FEEDHM
C=CC(C)(C)COC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000835724140	680374051	/nfs/dbraw/zinc/37/40/51/680374051.db2.gz	GFALVYYQBUGHRV-GFCCVEGCSA-N	-1	3	350.440	2.259	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CC(C(C)(C)C)C2)ccc1F	ZINC000837268686	680576792	/nfs/dbraw/zinc/57/67/92/680576792.db2.gz	YSFZPWRWSYZQBP-UHFFFAOYSA-N	-1	3	354.447	2.408	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccc[nH]2)ccc1F	ZINC000760417344	680686622	/nfs/dbraw/zinc/68/66/22/680686622.db2.gz	GTJOXDTXSCIZLV-NSHDSACASA-N	-1	3	351.403	2.109	20	30		FEEDHM
C#CC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)C(=O)OC	ZINC000841541665	680894699	/nfs/dbraw/zinc/89/46/99/680894699.db2.gz	VGLFZDJFSRLDOT-JTQLQIEISA-N	-1	3	369.748	2.202	20	30		FEEDHM
C[C@H](CC(=O)N1CCCC12CCC2)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000769662363	680990751	/nfs/dbraw/zinc/99/07/51/680990751.db2.gz	AFYMEXRTEIMLGK-CYBMUJFWSA-N	-1	3	361.467	2.049	20	30		FEEDHM
C#C[C@H](CCC)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br	ZINC000770391851	681014708	/nfs/dbraw/zinc/01/47/08/681014708.db2.gz	ZGDJFKBLQBMKFQ-SECBINFHSA-N	-1	3	361.217	2.438	20	30		FEEDHM
CC(=NNCCCN1CCOCC1)c1ccc([O-])c(Br)c1	ZINC000844595330	681067928	/nfs/dbraw/zinc/06/79/28/681067928.db2.gz	ZSCPMYZPHDCIQW-UHFFFAOYSA-N	-1	3	356.264	2.191	20	30		FEEDHM
C#C[C@@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)[C@H]1CCCO1	ZINC000773059407	681123405	/nfs/dbraw/zinc/12/34/05/681123405.db2.gz	WJKYWLOGBXTQOP-VXGBXAGGSA-N	-1	3	351.321	2.304	20	30		FEEDHM
COc1cc(C=NNc2ccccc2S(N)(=O)=O)cc(Cl)c1[O-]	ZINC000773124880	681126647	/nfs/dbraw/zinc/12/66/47/681126647.db2.gz	HWMHWBROCPTKGW-UHFFFAOYSA-N	-1	3	355.803	2.148	20	30		FEEDHM
O=C(Nc1c(F)ccc(Br)c1F)N[C@H]1CCCN([O-])C1=O	ZINC000933300691	681390143	/nfs/dbraw/zinc/39/01/43/681390143.db2.gz	BVNZXDZVVARQNY-QMMMGPOBSA-N	-1	3	364.146	2.229	20	30		FEEDHM
O=C(CCc1cccc(F)c1Br)N[C@H]1CCCN([O-])C1=O	ZINC000848131781	681478075	/nfs/dbraw/zinc/47/80/75/681478075.db2.gz	KORWGRGOFDDSEV-NSHDSACASA-N	-1	3	359.195	2.017	20	30		FEEDHM
CCc1c(C(=O)N[C@H]2CCCN([O-])C2=O)cnn1-c1ccccc1Cl	ZINC000848133910	681478096	/nfs/dbraw/zinc/47/80/96/681478096.db2.gz	JQKKXTBBOCIWSI-ZDUSSCGKSA-N	-1	3	362.817	2.198	20	30		FEEDHM
CCc1c(C(=O)N[C@@H]2CCCN([O-])C2=O)cnn1-c1ccccc1Cl	ZINC000848133909	681478144	/nfs/dbraw/zinc/47/81/44/681478144.db2.gz	JQKKXTBBOCIWSI-CYBMUJFWSA-N	-1	3	362.817	2.198	20	30		FEEDHM
CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)N[C@@H]2CCCN([O-])C2=O)c1	ZINC000848136923	681478624	/nfs/dbraw/zinc/47/86/24/681478624.db2.gz	UOVMMOQPKNHNJX-CQSZACIVSA-N	-1	3	367.833	2.435	20	30		FEEDHM
O=C(N[C@@H]1CCCN([O-])C1=O)c1cnc(-c2ccc(F)c(F)c2)s1	ZINC000848136203	681478727	/nfs/dbraw/zinc/47/87/27/681478727.db2.gz	UCKMHXMUMSVJBX-LLVKDONJSA-N	-1	3	353.350	2.198	20	30		FEEDHM
Cc1ccc(/C=C\C(=O)N[C@@H]2CCCN([O-])C2=O)c(Br)c1	ZINC000848139293	681478741	/nfs/dbraw/zinc/47/87/41/681478741.db2.gz	ZHNGKDRZSNKATN-FMFIFOJESA-N	-1	3	353.216	2.267	20	30		FEEDHM
CC[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)N(CC)CC	ZINC000778634405	681632734	/nfs/dbraw/zinc/63/27/34/681632734.db2.gz	OPJLEJYLZWSIEF-AWEZNQCLSA-N	-1	3	357.863	2.137	20	30		FEEDHM
CC[C@@](C)(C#N)[N-]C(=O)C(F)(F)c1ccccc1OCC(=O)N(C)C	ZINC000778677513	681638689	/nfs/dbraw/zinc/63/86/89/681638689.db2.gz	AJRWLQBDKPLODY-INIZCTEOSA-N	-1	3	353.369	2.054	20	30		FEEDHM
COC[C@H](C)NC(=S)NN=C(C)c1cc(Br)ccc1[O-]	ZINC000916282002	685523152	/nfs/dbraw/zinc/52/31/52/685523152.db2.gz	XFZFSNLJTFETOX-QMMMGPOBSA-N	-1	3	360.277	2.378	20	30		FEEDHM
O=c1nc(C=N[O-])ccn1CCOc1cc(F)cc(Br)c1	ZINC000783557190	682153532	/nfs/dbraw/zinc/15/35/32/682153532.db2.gz	SKXSYCCKRPJWDG-UHFFFAOYSA-N	-1	3	356.151	2.032	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)NC[C@H]2CCCCS2)ccc1F	ZINC000784111412	682200624	/nfs/dbraw/zinc/20/06/24/682200624.db2.gz	HCQYOSIJORGMKK-CYBMUJFWSA-N	-1	3	372.487	2.306	20	30		FEEDHM
CC(=O)N(c1nc(C=NN2CC(=O)[N-]C2=O)cs1)c1ccc(C)cc1	ZINC000917541475	685532796	/nfs/dbraw/zinc/53/27/96/685532796.db2.gz	GOACDJVTIQLBSE-UHFFFAOYSA-N	-1	3	357.395	2.022	20	30		FEEDHM
COC1(OC)CCCC[C@@H]1[N-]S(=O)(=O)Cc1ccc(CC#N)cc1	ZINC000918060802	685536900	/nfs/dbraw/zinc/53/69/00/685536900.db2.gz	IBZIXQDGXDILEZ-INIZCTEOSA-N	-1	3	352.456	2.104	20	30		FEEDHM
C#C[C@@H](NC(=O)NCc1ccc([O-])c(Br)c1)C1CCOCC1	ZINC000852643940	682312655	/nfs/dbraw/zinc/31/26/55/682312655.db2.gz	ZYFLBQDHUIXECK-CQSZACIVSA-N	-1	3	367.243	2.382	20	30		FEEDHM
CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OCC(C)(C)F	ZINC000785922849	682336984	/nfs/dbraw/zinc/33/69/84/682336984.db2.gz	CQYPPTYRZHBXPX-ZDUSSCGKSA-N	-1	3	370.446	2.431	20	30		FEEDHM
COc1cccc([C@H](C#N)[N-]C(=O)C(F)(F)C2(O)CCCC2)c1OC	ZINC000786107190	682351294	/nfs/dbraw/zinc/35/12/94/682351294.db2.gz	UVTWDEQTSSCQKP-LBPRGKRZSA-N	-1	3	354.353	2.325	20	30		FEEDHM
CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)O[C@H](C)C(F)F	ZINC000786506092	682382285	/nfs/dbraw/zinc/38/22/85/682382285.db2.gz	JITCALFEGQDWTJ-PWSUYJOCSA-N	-1	3	374.409	2.481	20	30		FEEDHM
CC(C)C#CC(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl	ZINC000854419884	682548568	/nfs/dbraw/zinc/54/85/68/682548568.db2.gz	XOBXDZRGEDQEDU-UHFFFAOYSA-N	-1	3	363.266	2.047	20	30		FEEDHM
O=C(N[C@@H]1CCCN([O-])C1=O)c1cc2cc(Br)sc2[nH]1	ZINC000854649015	682575130	/nfs/dbraw/zinc/57/51/30/682575130.db2.gz	OKASIXKIAUFRMB-SSDOTTSWSA-N	-1	3	358.217	2.102	20	30		FEEDHM
CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N[C@@H]1C=CCC1	ZINC000855421539	682668684	/nfs/dbraw/zinc/66/86/84/682668684.db2.gz	OCVLTECTUZWMKL-HIFRSBDPSA-N	-1	3	361.467	2.119	20	30		FEEDHM
C#C[C@@H](CCC)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1	ZINC000791741348	682763158	/nfs/dbraw/zinc/76/31/58/682763158.db2.gz	KIOCASDLKSEXGO-LBPRGKRZSA-N	-1	3	363.414	2.486	20	30		FEEDHM
C#C[C@H](CCC)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1	ZINC000791741347	682763202	/nfs/dbraw/zinc/76/32/02/682763202.db2.gz	KIOCASDLKSEXGO-GFCCVEGCSA-N	-1	3	363.414	2.486	20	30		FEEDHM
Cc1cnn(C)c1C=Nn1c(=S)[n-]nc1[C@H]1COc2ccccc2O1	ZINC000794876577	683000847	/nfs/dbraw/zinc/00/08/47/683000847.db2.gz	HMLLESWQFSCQJQ-CQSZACIVSA-N	-1	3	356.411	2.003	20	30		FEEDHM
COC(=O)c1ccc(S(=O)(=O)[N-]Cc2cc(C#N)ccc2F)c(F)c1	ZINC000795119610	683019871	/nfs/dbraw/zinc/01/98/71/683019871.db2.gz	NHUDQFIVTBSUEL-UHFFFAOYSA-N	-1	3	366.345	2.102	20	30		FEEDHM
CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]Cc2ccc(C#N)cc2)c1	ZINC000795796661	683093110	/nfs/dbraw/zinc/09/31/10/683093110.db2.gz	DDADKUZFALYDTF-UHFFFAOYSA-N	-1	3	362.382	2.353	20	30		FEEDHM
C#CCC[C@H](O)C[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F	ZINC000795978036	683114240	/nfs/dbraw/zinc/11/42/40/683114240.db2.gz	UWZBWNRWRJLNRF-JTQLQIEISA-N	-1	3	355.765	2.411	20	30		FEEDHM
CC[C@H](C(=O)N[C@@H]1CCCN([O-])C1=O)c1ccc(Br)cc1	ZINC000861827718	683481361	/nfs/dbraw/zinc/48/13/61/683481361.db2.gz	LLUUQPOAFLVOOJ-QWHCGFSZSA-N	-1	3	355.232	2.439	20	30		FEEDHM
C=C(C)CS(=O)(=O)[N-][C@@H](C(=O)OC)c1ccc(C(F)(F)F)cc1	ZINC000921854537	683594811	/nfs/dbraw/zinc/59/48/11/683594811.db2.gz	PEUKRDLNOSOQQZ-GFCCVEGCSA-N	-1	3	351.346	2.415	20	30		FEEDHM
C#CC[C@H]1CCN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)C1	ZINC000862561760	683601308	/nfs/dbraw/zinc/60/13/08/683601308.db2.gz	QLSSWQZKEOXBNR-ZDUSSCGKSA-N	-1	3	366.458	2.388	20	30		FEEDHM
C#C[C@H]1CCCCN1C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1	ZINC000929910436	683654698	/nfs/dbraw/zinc/65/46/98/683654698.db2.gz	ISFYTIOSCGKEBP-AWEZNQCLSA-N	-1	3	365.455	2.476	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(C)nn2CC)ccc1F	ZINC000863377845	683712091	/nfs/dbraw/zinc/71/20/91/683712091.db2.gz	OKQINDCRZRLNNW-UHFFFAOYSA-N	-1	3	366.418	2.067	20	30		FEEDHM
Cc1ncc(CO)c(/C=N\C[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c1[O-]	ZINC000864349283	683840643	/nfs/dbraw/zinc/84/06/43/683840643.db2.gz	WNNFHZKEKNLXNK-FGHSJCFPSA-N	-1	3	362.451	2.214	20	30		FEEDHM
CC1(c2cccc(C[N-]S(=O)(=O)c3ccsc3C#N)c2)OCCO1	ZINC000867302561	684241990	/nfs/dbraw/zinc/24/19/90/684241990.db2.gz	ORABAKGEWBPJQS-UHFFFAOYSA-N	-1	3	364.448	2.318	20	30		FEEDHM
CCn1cncc1S(=O)(=O)[N-][C@H](c1cccc(C#N)c1)C(F)(F)F	ZINC000867899302	684422621	/nfs/dbraw/zinc/42/26/21/684422621.db2.gz	XHGPXRMULWXMRL-CYBMUJFWSA-N	-1	3	358.345	2.357	20	30		FEEDHM
CN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)[C@H]1CCC[C@H]1C#N	ZINC000870673628	684743601	/nfs/dbraw/zinc/74/36/01/684743601.db2.gz	CTHYYJAKEAKBLG-WFASDCNBSA-N	-1	3	365.430	2.031	20	30		FEEDHM
O=C(Nc1ccc(F)cc1OCC(F)(F)F)N[C@H]1CCCN([O-])C1=O	ZINC000878729918	686644987	/nfs/dbraw/zinc/64/49/87/686644987.db2.gz	BKUINONECPOBJA-JTQLQIEISA-N	-1	3	365.283	2.269	20	30		FEEDHM
CSc1nnc(C[N-]S(=O)(=O)c2ccc(CCC#N)cc2)s1	ZINC000885128206	688021691	/nfs/dbraw/zinc/02/16/91/688021691.db2.gz	XBNYIGFRMCICSH-UHFFFAOYSA-N	-1	3	354.482	2.195	20	30		FEEDHM
O=C1[C@@H](NCc2cnn(-c3ccc(C(F)(F)F)cc3)c2)CCCN1[O-]	ZINC000895157915	689669437	/nfs/dbraw/zinc/66/94/37/689669437.db2.gz	FZTBJCSHICUPMT-AWEZNQCLSA-N	-1	3	354.332	2.361	20	30		FEEDHM
CCOc1cc(CN[C@@H]2CCCN([O-])C2=O)cc(Br)c1OC	ZINC000895164302	689669718	/nfs/dbraw/zinc/66/97/18/689669718.db2.gz	CCORCAQRHZWPCX-GFCCVEGCSA-N	-1	3	373.247	2.326	20	30		FEEDHM
C[C@@H](CC(F)(F)F)C(=O)N([O-])CCCN1C(=O)c2ccccc2C1=O	ZINC000904185985	691011040	/nfs/dbraw/zinc/01/10/40/691011040.db2.gz	NEUOTXQTCVCKKP-JTQLQIEISA-N	-1	3	358.316	2.479	20	30		FEEDHM
N#Cc1sc2ccccc2c1S(=O)(=O)[N-]CC[C@@H](O)C(F)(F)F	ZINC000906976070	691358361	/nfs/dbraw/zinc/35/83/61/691358361.db2.gz	VSAFRDDUNAEYHK-LLVKDONJSA-N	-1	3	364.370	2.365	20	30		FEEDHM
C=C(C)CN1CCC(NC(=O)N[C@]2(C(=O)[O-])CCc3ccccc32)CC1	ZINC000908945307	939360508	/nfs/dbraw/zinc/36/05/08/939360508.db2.gz	GCLFWIGVSMXXNU-HXUWFJFHSA-N	-1	3	357.454	2.252	20	30		FEEDHM
Cc1ncc(CO)c(/C=N/C[C@H](c2cccs2)N2CCOCC2)c1[O-]	ZINC000005110763	539402324	/nfs/dbraw/zinc/40/23/24/539402324.db2.gz	VILVWGUONIDYTG-MWJIIQFGSA-N	-1	3	361.467	2.142	20	30		FEEDHM
N#Cc1ccc(CSCC(=O)Nc2nc(-c3ccccn3)n[n-]2)cc1	ZINC000053527784	540540829	/nfs/dbraw/zinc/54/08/29/540540829.db2.gz	AKODLNXUKOQHQP-UHFFFAOYSA-N	-1	3	350.407	2.032	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]CCc2ccccn2)c(C(F)(F)F)c1	ZINC000055948510	540689439	/nfs/dbraw/zinc/68/94/39/540689439.db2.gz	GCYXCXUEAKPXAZ-UHFFFAOYSA-N	-1	3	355.341	2.493	20	30		FEEDHM
C=CCOc1ccc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1OC	ZINC000068973932	541645900	/nfs/dbraw/zinc/64/59/00/541645900.db2.gz	QEKYGEXOQQDBRC-UHFFFAOYSA-N	-1	3	365.393	2.370	20	30		FEEDHM
C=CCOc1ccc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1OC	ZINC000068973932	541645904	/nfs/dbraw/zinc/64/59/04/541645904.db2.gz	QEKYGEXOQQDBRC-UHFFFAOYSA-N	-1	3	365.393	2.370	20	30		FEEDHM
C[C@H](NC(=O)CC[N-]S(=O)(=O)c1cccs1)c1cccc(C#N)c1	ZINC000075275720	542165135	/nfs/dbraw/zinc/16/51/35/542165135.db2.gz	BDVOEHVVPUJJCL-LBPRGKRZSA-N	-1	3	363.464	2.166	20	30		FEEDHM
COC(=O)c1cccc(CS(=O)(=O)[N-][C@@H](C#N)C2CCCCC2)c1	ZINC000091052829	542792622	/nfs/dbraw/zinc/79/26/22/542792622.db2.gz	VSZWUBKYIREVRO-INIZCTEOSA-N	-1	3	350.440	2.365	20	30		FEEDHM
CCOc1ccc(N(CCC#N)C(=O)Cc2c(C)nc(C)[n-]c2=O)cc1	ZINC000108808726	543303933	/nfs/dbraw/zinc/30/39/33/543303933.db2.gz	NQDYIZLPUNZPIX-UHFFFAOYSA-N	-1	3	354.410	2.275	20	30		FEEDHM
[O-]c1ccccc1/C=N/[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1	ZINC000112497341	543449391	/nfs/dbraw/zinc/44/93/91/543449391.db2.gz	MAOTWCMOTWNDBB-RSZPVBOMSA-N	-1	3	367.453	2.107	20	30		FEEDHM
CCS[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000123128865	543744475	/nfs/dbraw/zinc/74/44/75/543744475.db2.gz	BUFPYPSQZJUQLT-AAEUAGOBSA-N	-1	3	355.441	2.419	20	30		FEEDHM
CCCN1CCC(C[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)CC1	ZINC000124826596	543845026	/nfs/dbraw/zinc/84/50/26/543845026.db2.gz	MVJKHDCHUMTDQT-UHFFFAOYSA-N	-1	3	357.426	2.237	20	30		FEEDHM
CN1CCC(Oc2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3)cn2)CC1	ZINC000129508555	544116232	/nfs/dbraw/zinc/11/62/32/544116232.db2.gz	MZKHQMUNZDJEKC-UHFFFAOYSA-N	-1	3	372.450	2.227	20	30		FEEDHM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@]1(C#N)CCC[C@H](C)C1	ZINC000130480198	544153238	/nfs/dbraw/zinc/15/32/38/544153238.db2.gz	MSQKZKAYZNPTOW-NHYWBVRUSA-N	-1	3	353.400	2.354	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]CCCn2cnc3ccccc32)c(F)c1	ZINC000151025890	544497577	/nfs/dbraw/zinc/49/75/77/544497577.db2.gz	GOGAGRBIYXUYAR-UHFFFAOYSA-N	-1	3	358.398	2.416	20	30		FEEDHM
C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](CCC#N)c2ccccc2)c(C)o1	ZINC000153503273	544783011	/nfs/dbraw/zinc/78/30/11/544783011.db2.gz	PINGHPBKOHCRPB-OAHLLOKOSA-N	-1	3	361.423	2.271	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C(=O)N1CCCC[C@H]1C	ZINC000184305151	327861301	/nfs/dbraw/zinc/86/13/01/327861301.db2.gz	CZKUPGPHBAQRDG-VXGBXAGGSA-N	-1	3	369.874	2.279	20	30		FEEDHM
N#Cc1c(F)cccc1C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1	ZINC000186410623	327960612	/nfs/dbraw/zinc/96/06/12/327960612.db2.gz	UCECSTKUWYGUEL-UHFFFAOYSA-N	-1	3	353.353	2.001	20	30		FEEDHM
COCCOc1ccc(F)cc1S(=O)(=O)[N-]Cc1ccc(C#N)cc1	ZINC000190531993	328214330	/nfs/dbraw/zinc/21/43/30/328214330.db2.gz	QOMNHJVRNWWMPD-UHFFFAOYSA-N	-1	3	364.398	2.201	20	30		FEEDHM
N#Cc1cccc(NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)c1	ZINC000078934574	325067507	/nfs/dbraw/zinc/06/75/07/325067507.db2.gz	QSXBEVLKYUKTHV-UHFFFAOYSA-N	-1	3	350.378	2.254	20	30		FEEDHM
CC(=O)Nc1ccc([O-])c(C(=O)N2CCN(c3ccccc3C#N)CC2)c1	ZINC000101671697	325476337	/nfs/dbraw/zinc/47/63/37/325476337.db2.gz	UVXQJZUBRFPWKC-UHFFFAOYSA-N	-1	3	364.405	2.185	20	30		FEEDHM
Cc1cccc(C)c1NC(=O)C[N-]S(=O)(=O)Cc1cccc(C#N)c1	ZINC000119615809	326181386	/nfs/dbraw/zinc/18/13/86/326181386.db2.gz	DTGQAWUHDVOEQH-UHFFFAOYSA-N	-1	3	357.435	2.233	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCC[C@H](O)C2)c(C(F)(F)F)c1	ZINC000121847183	326371570	/nfs/dbraw/zinc/37/15/70/326371570.db2.gz	HFGBUMVIVKXVJO-RYUDHWBXSA-N	-1	3	362.373	2.406	20	30		FEEDHM
N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CCCOC1CCOCC1	ZINC000121956090	326377980	/nfs/dbraw/zinc/37/79/80/326377980.db2.gz	CXOWJAZQEFHZOT-UHFFFAOYSA-N	-1	3	358.847	2.076	20	30		FEEDHM
Cn1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)c1=O	ZINC000150859965	326669806	/nfs/dbraw/zinc/66/98/06/326669806.db2.gz	WCNPMYIDJBYKLN-UHFFFAOYSA-N	-1	3	357.313	2.077	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@@H](C)Oc2ncccc21	ZINC000158593546	326900789	/nfs/dbraw/zinc/90/07/89/326900789.db2.gz	HXJGOILGIKGPQJ-LLVKDONJSA-N	-1	3	352.394	2.005	20	30		FEEDHM
Cc1nc(C(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)ccc1C#N	ZINC000172583129	327209810	/nfs/dbraw/zinc/20/98/10/327209810.db2.gz	HXDJOLYEEZOIRR-UHFFFAOYSA-N	-1	3	374.397	2.094	20	30		FEEDHM
Cc1nnnn1-c1ccc(F)c([N-]S(=O)(=O)c2ccc(C#N)cc2C)c1	ZINC000172591509	327210120	/nfs/dbraw/zinc/21/01/20/327210120.db2.gz	DARRKYJVXRVUKQ-UHFFFAOYSA-N	-1	3	372.385	2.091	20	30		FEEDHM
CC(=O)NCc1ccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1	ZINC000265061507	329086943	/nfs/dbraw/zinc/08/69/43/329086943.db2.gz	RJANFCSKYVSSRV-UHFFFAOYSA-N	-1	3	366.421	2.483	20	30		FEEDHM
COC(=O)C[C@](C)([N-]S(=O)(=O)c1cccc(C)c1C#N)c1ccncc1	ZINC000274992674	330000001	/nfs/dbraw/zinc/00/00/01/330000001.db2.gz	ZHVWFSBXWPRNIH-SFHVURJKSA-N	-1	3	373.434	2.019	20	30		FEEDHM
Cc1cc(C#N)cc(N2CCC([N-]S(=O)(=O)c3cccs3)CC2)n1	ZINC000367056103	330211748	/nfs/dbraw/zinc/21/17/48/330211748.db2.gz	VXSCZXJZWXRASJ-UHFFFAOYSA-N	-1	3	362.480	2.271	20	30		FEEDHM
C#CCCCS(=O)(=O)[N-][C@H](Cc1cccc(Cl)c1)C(=O)OCC	ZINC000805087145	674318107	/nfs/dbraw/zinc/31/81/07/674318107.db2.gz	KLFFUIDRAFDNRB-OAHLLOKOSA-N	-1	3	357.859	2.147	20	30		FEEDHM
N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CCCOC[C@H]1CCCO1	ZINC000156243705	545611143	/nfs/dbraw/zinc/61/11/43/545611143.db2.gz	JFGSAEALQNXNHP-CQSZACIVSA-N	-1	3	358.847	2.076	20	30		FEEDHM
COC(=O)c1sc2[n-]c(CN(CCC#N)CC3CC3)nc(=O)c2c1C	ZINC000174695300	546302378	/nfs/dbraw/zinc/30/23/78/546302378.db2.gz	VOMJRZVTDLLNKB-UHFFFAOYSA-N	-1	3	360.439	2.205	20	30		FEEDHM
C[C@@H](NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccc(C#N)c1	ZINC000181971430	547415090	/nfs/dbraw/zinc/41/50/90/547415090.db2.gz	UPCUGKJUTXGOBN-CYBMUJFWSA-N	-1	3	374.422	2.096	20	30		FEEDHM
Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N[C@@H](C)CC#N)cs2)c1	ZINC000183638011	547693608	/nfs/dbraw/zinc/69/36/08/547693608.db2.gz	FZWKMLLBAKONNP-NSHDSACASA-N	-1	3	358.423	2.370	20	30		FEEDHM
N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CC(=O)Nc2cccc(F)c2)c1	ZINC000184279750	547799764	/nfs/dbraw/zinc/79/97/64/547799764.db2.gz	UIKDENSMLHUATG-UHFFFAOYSA-N	-1	3	367.789	2.268	20	30		FEEDHM
N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CCCOC[C@H]2CCCO2)c1	ZINC000186144071	548091638	/nfs/dbraw/zinc/09/16/38/548091638.db2.gz	SNYYLVJFSCIXIR-CYBMUJFWSA-N	-1	3	358.847	2.076	20	30		FEEDHM
C=CCCCS(=O)(=O)[N-][C@H](c1noc(C)n1)c1ccccc1OC	ZINC000489333775	561408390	/nfs/dbraw/zinc/40/83/90/561408390.db2.gz	SECMHAXQNWZJOQ-HNNXBMFYSA-N	-1	3	351.428	2.362	20	30		FEEDHM
C[C@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)N(C)C1CC1	ZINC000263941535	549957896	/nfs/dbraw/zinc/95/78/96/549957896.db2.gz	QLHAULMGOZFISP-SNVBAGLBSA-N	-1	3	361.389	2.338	20	30		FEEDHM
CCOC(=O)COc1ccc(CC/N=C/c2ccc(O)c([O-])c2O)cc1	ZINC000266346173	550019462	/nfs/dbraw/zinc/01/94/62/550019462.db2.gz	NZRPUJQKZVZSKV-RGVLZGJSSA-N	-1	3	359.378	2.407	20	30		FEEDHM
CCOC(=O)Nc1ccc([N-]S(=O)(=O)C[C@@H]2CCCO2)cc1C#N	ZINC000269671328	550215726	/nfs/dbraw/zinc/21/57/26/550215726.db2.gz	BHJOWRVEPCEOIC-ZDUSSCGKSA-N	-1	3	353.400	2.047	20	30		FEEDHM
Cc1ccc([C@@H](O)C[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)o1	ZINC000269749692	550222430	/nfs/dbraw/zinc/22/24/30/550222430.db2.gz	HBCLXRLXQHRLBH-LBPRGKRZSA-N	-1	3	374.340	2.490	20	30		FEEDHM
CCc1nc([C@H](C)[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)n[nH]1	ZINC000270606885	550288656	/nfs/dbraw/zinc/28/86/56/550288656.db2.gz	XFYLGDLWVULTSQ-QMMMGPOBSA-N	-1	3	373.360	2.297	20	30		FEEDHM
C=C(Cl)CNS(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)c(F)c1	ZINC000271242173	550356983	/nfs/dbraw/zinc/35/69/83/550356983.db2.gz	ZCMJMCMHGUTDGH-UHFFFAOYSA-N	-1	3	370.855	2.008	20	30		FEEDHM
CCCOc1ccc(/C=N/[C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)c([O-])c1	ZINC000271814226	550404026	/nfs/dbraw/zinc/40/40/26/550404026.db2.gz	NYLURTGWKSSDIS-KLXUNFHHSA-N	-1	3	367.467	2.336	20	30		FEEDHM
Cc1ncc(CO)c(/C=N/[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1[O-]	ZINC000272375162	550442220	/nfs/dbraw/zinc/44/22/20/550442220.db2.gz	HXVKXDYMGDZAAM-RIDKEVFESA-N	-1	3	364.405	2.074	20	30		FEEDHM
C=CCN(CCc1ccco1)C(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1	ZINC000272560622	550458087	/nfs/dbraw/zinc/45/80/87/550458087.db2.gz	DVMKAFJAVRNQTH-ZDUSSCGKSA-N	-1	3	368.480	2.265	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)NCCCCOC(C)C)ccc1F	ZINC000272877811	550474807	/nfs/dbraw/zinc/47/48/07/550474807.db2.gz	UBPBVIMGCMPASG-UHFFFAOYSA-N	-1	3	372.462	2.225	20	30		FEEDHM
CC[C@H](CC#N)NC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1	ZINC000274667376	550548631	/nfs/dbraw/zinc/54/86/31/550548631.db2.gz	RHCKDLXQFYKPMC-LLVKDONJSA-N	-1	3	354.432	2.271	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)c1cccnc1C#N)c1cccc(N2CCCC2=O)c1	ZINC000276986153	550618530	/nfs/dbraw/zinc/61/85/30/550618530.db2.gz	HTIMRQJUGNKNMI-ZDUSSCGKSA-N	-1	3	370.434	2.120	20	30		FEEDHM
Cc1ncc(CO)c(/C=N/C[C@H]2CN(Cc3ccccc3)CCCO2)c1[O-]	ZINC000277519288	550680141	/nfs/dbraw/zinc/68/01/41/550680141.db2.gz	VAAXLJTYBNMBAY-OZNZCJATSA-N	-1	3	369.465	2.298	20	30		FEEDHM
CCOC(=O)c1nnc(C2CCN(c3ccc(Cl)c(C#N)n3)CC2)[n-]1	ZINC000278072879	550746130	/nfs/dbraw/zinc/74/61/30/550746130.db2.gz	TXKKGDUXPSLEJD-UHFFFAOYSA-N	-1	3	360.805	2.285	20	30		FEEDHM
CCOC(=O)c1nc(C2CCN(c3ccc(Cl)c(C#N)n3)CC2)n[n-]1	ZINC000278072879	550746131	/nfs/dbraw/zinc/74/61/31/550746131.db2.gz	TXKKGDUXPSLEJD-UHFFFAOYSA-N	-1	3	360.805	2.285	20	30		FEEDHM
CCOC(=O)c1n[n-]c(C2CCN(c3ccc(Cl)c(C#N)n3)CC2)n1	ZINC000278072879	550746132	/nfs/dbraw/zinc/74/61/32/550746132.db2.gz	TXKKGDUXPSLEJD-UHFFFAOYSA-N	-1	3	360.805	2.285	20	30		FEEDHM
C=CCCCNC(=O)[C@H](CCSC)[N-]S(=O)(=O)c1ccccc1F	ZINC000279272074	550872185	/nfs/dbraw/zinc/87/21/85/550872185.db2.gz	VNNAYMVKDXXEDV-AWEZNQCLSA-N	-1	3	374.503	2.308	20	30		FEEDHM
C=CCCCCCCNC(=O)N1CCC[C@@H]1C[C@]1(C)NC(=O)[N-]C1=O	ZINC000288089355	552088732	/nfs/dbraw/zinc/08/87/32/552088732.db2.gz	STOBHUCCPSFINK-KDOFPFPSSA-N	-1	3	350.463	2.285	20	30		FEEDHM
CC(C)(CO)[C@H]([N-]S(=O)(=O)c1ccc(C#N)nc1)c1cccs1	ZINC000289260128	552290495	/nfs/dbraw/zinc/29/04/95/552290495.db2.gz	ABCLSWWHZJOCMQ-CQSZACIVSA-N	-1	3	351.453	2.053	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)c1cncc(C#N)c1)c1nc(C(F)(F)F)cs1	ZINC000290193301	552440716	/nfs/dbraw/zinc/44/07/16/552440716.db2.gz	SHAZUFGQACXNJF-ZETCQYMHSA-N	-1	3	362.358	2.468	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(CCC(C)(C)[N+](=O)[O-])no1	ZINC000291090966	552585487	/nfs/dbraw/zinc/58/54/87/552585487.db2.gz	PKFJQFQDRRJCJR-UHFFFAOYSA-N	-1	3	359.386	2.432	20	30		FEEDHM
CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@@]2(C#N)CC2(C)C)ccc1F	ZINC000291438955	552624555	/nfs/dbraw/zinc/62/45/55/552624555.db2.gz	MQAOYFVZTHGULN-QGZVFWFLSA-N	-1	3	367.446	2.325	20	30		FEEDHM
C[C@@]1(c2cccc(NC(=O)[C@]3(C#N)CC34CCCC4)c2)NC(=O)[N-]C1=O	ZINC000294485358	552909842	/nfs/dbraw/zinc/90/98/42/552909842.db2.gz	MZNSJDQMCRWJCU-PKOBYXMFSA-N	-1	3	352.394	2.154	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)[C@@H](CO)c1ccccc1	ZINC000297300960	553275554	/nfs/dbraw/zinc/27/55/54/553275554.db2.gz	UWTZVFVOIKCKDI-SFHVURJKSA-N	-1	3	353.422	2.400	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2COc3ccccc3O2)c(Cl)c1	ZINC000503446527	561641492	/nfs/dbraw/zinc/64/14/92/561641492.db2.gz	IUUNPQUWXIDICB-GFCCVEGCSA-N	-1	3	364.810	2.330	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N(CCC)CC(F)F)ccc1F	ZINC000299503074	553572583	/nfs/dbraw/zinc/57/25/83/553572583.db2.gz	QZXJPEMHABREMN-UHFFFAOYSA-N	-1	3	364.389	2.407	20	30		FEEDHM
C=CCC[C@H](CO)[N-]S(=O)(=O)c1ccc(F)cc1Br	ZINC000316137789	553761094	/nfs/dbraw/zinc/76/10/94/553761094.db2.gz	SMEJEUAAMQLSID-SNVBAGLBSA-N	-1	3	352.225	2.194	20	30		FEEDHM
COc1ccc(S(=O)(=O)[N-]Cc2ccc(C#N)cc2F)c([N+](=O)[O-])c1	ZINC000327369001	553788554	/nfs/dbraw/zinc/78/85/54/553788554.db2.gz	YVFJRFFGAGQMCN-UHFFFAOYSA-N	-1	3	365.342	2.093	20	30		FEEDHM
CC1(C)SC[C@@H]1[N-]S(=O)(=O)c1cccc(Br)c1C#N	ZINC000329308116	553922429	/nfs/dbraw/zinc/92/24/29/553922429.db2.gz	YRVSHXBNRWZUPH-NSHDSACASA-N	-1	3	361.286	2.493	20	30		FEEDHM
Cc1nc(S(=O)(=O)[N-]CC(=O)NC[C@@H]2C[C@H]2C2CCCCC2)cn1C	ZINC000329338697	553928580	/nfs/dbraw/zinc/92/85/80/553928580.db2.gz	NFSJSQGXZWCIIM-GJZGRUSLSA-N	-1	3	368.503	2.180	20	30		FEEDHM
CS(=O)(=O)N1CCC[C@H](NC(=O)c2cc([O-])ccc2C(F)(F)F)C1	ZINC000330428821	554120780	/nfs/dbraw/zinc/12/07/80/554120780.db2.gz	LGGZSUVMMFCCAI-VIFPVBQESA-N	-1	3	366.361	2.140	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCOC3(CCOCC3)C2)c(Cl)c1	ZINC000331473210	554270648	/nfs/dbraw/zinc/27/06/48/554270648.db2.gz	WFKOHLUOFOBCRC-CYBMUJFWSA-N	-1	3	370.858	2.218	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc([C@@H]2CC(=O)N(C(C)C)C2)no1	ZINC000349739732	554740394	/nfs/dbraw/zinc/74/03/94/554740394.db2.gz	AMBKJAPHYYQOHW-CYBMUJFWSA-N	-1	3	369.425	2.168	20	30		FEEDHM
C[C@]1(c2ccc(-c3noc(CCCCCC#N)n3)cc2)NC(=O)[N-]C1=O	ZINC000349896751	554748195	/nfs/dbraw/zinc/74/81/95/554748195.db2.gz	JGHCQKLLGYPPKA-GOSISDBHSA-N	-1	3	353.382	2.418	20	30		FEEDHM
Cc1ccc(F)c(N2CCC[C@@H]([N-]S(=O)(=O)CCCCC#N)C2=O)c1	ZINC000363227140	555058817	/nfs/dbraw/zinc/05/88/17/555058817.db2.gz	DUHNMXWJRFUMCN-OAHLLOKOSA-N	-1	3	367.446	2.243	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCCC23CCC3)ccc1F	ZINC000365626362	555625483	/nfs/dbraw/zinc/62/54/83/555625483.db2.gz	NFJPZQXZGWQLNW-UHFFFAOYSA-N	-1	3	352.431	2.449	20	30		FEEDHM
COc1cc(C(=O)N2CCC[C@]3(CCCCO3)[C@H]2C#N)cc(OC)c1[O-]	ZINC000366187859	555775764	/nfs/dbraw/zinc/77/57/64/555775764.db2.gz	ZIEMVSVGYGWUQP-VQIMIIECSA-N	-1	3	360.410	2.477	20	30		FEEDHM
C=C(C)CN(CC)C(=O)[C@@H](C)Sc1[n-]c(=O)nc(C)c1C(=O)OC	ZINC000514960411	561988992	/nfs/dbraw/zinc/98/89/92/561988992.db2.gz	GZWWMQXRGDGYRT-LLVKDONJSA-N	-1	3	353.444	2.182	20	30		FEEDHM
C=C(C)[C@H](CC(=O)N1CC(S(=O)(=O)[N-]c2ccccc2)C1)OCC	ZINC000371629181	557244969	/nfs/dbraw/zinc/24/49/69/557244969.db2.gz	OMBQSYVMTQTFLG-INIZCTEOSA-N	-1	3	352.456	2.010	20	30		FEEDHM
N#CCN(C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)C1CC1	ZINC000521008131	562167628	/nfs/dbraw/zinc/16/76/28/562167628.db2.gz	UMMGRJLFCXPLRG-UHFFFAOYSA-N	-1	3	362.386	2.083	20	30		FEEDHM
CCN(C[C@H](C)C#N)S(=O)(=O)[N-][C@H](C)c1noc(-c2ccccc2)n1	ZINC000374458609	557886608	/nfs/dbraw/zinc/88/66/08/557886608.db2.gz	LVXCNWQYJKHBFC-CHWSQXEVSA-N	-1	3	363.443	2.114	20	30		FEEDHM
CC[C@H](C)C[C@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C(=O)OC	ZINC000522006141	562188908	/nfs/dbraw/zinc/18/89/08/562188908.db2.gz	VLXUWFOWRGDSMR-ZBEGNZNMSA-N	-1	3	361.442	2.302	20	30		FEEDHM
CCN(CCC#N)S(=O)(=O)[N-][C@H](c1ccco1)c1ccccc1OC	ZINC000409501297	558698159	/nfs/dbraw/zinc/69/81/59/558698159.db2.gz	LTYUYWMILIVMFE-KRWDZBQOSA-N	-1	3	363.439	2.448	20	30		FEEDHM
N#Cc1cccc(-n2ccc(C(=O)Nc3ccc(Cc4nnn[n-]4)cc3)n2)c1	ZINC000409829053	558721829	/nfs/dbraw/zinc/72/18/29/558721829.db2.gz	CSYPBQALDBVISE-UHFFFAOYSA-N	-1	3	370.376	2.100	20	30		FEEDHM
N#Cc1cccc(-n2ccc(C(=O)Nc3ccc(Cc4nn[n-]n4)cc3)n2)c1	ZINC000409829053	558721831	/nfs/dbraw/zinc/72/18/31/558721831.db2.gz	CSYPBQALDBVISE-UHFFFAOYSA-N	-1	3	370.376	2.100	20	30		FEEDHM
N#CC(=C([O-])c1cccc(C(=O)NC2CC2)c1)c1nnc2n1CCCCC2	ZINC000525890630	562258686	/nfs/dbraw/zinc/25/86/86/562258686.db2.gz	UUIKPXJNRZWNPM-MRXNPFEDSA-N	-1	3	363.421	2.387	20	30		FEEDHM
CC(C)[C@H](O)CC[N-]S(=O)(=O)c1cc(Br)ccc1C#N	ZINC000416406110	559310444	/nfs/dbraw/zinc/31/04/44/559310444.db2.gz	DLTMGWLBTQIQJM-GFCCVEGCSA-N	-1	3	361.261	2.006	20	30		FEEDHM
C=CC[C@@H](CO)[N-]S(=O)(=O)c1cc(C)c(Br)cc1F	ZINC000416453762	559314032	/nfs/dbraw/zinc/31/40/32/559314032.db2.gz	GPRZEWSLAOQPIX-VIFPVBQESA-N	-1	3	352.225	2.112	20	30		FEEDHM
CO[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2C#N)C1	ZINC000416468750	559315359	/nfs/dbraw/zinc/31/53/59/559315359.db2.gz	GWMMSJOOXKRZGI-NWDGAFQWSA-N	-1	3	359.245	2.167	20	30		FEEDHM
C[C@H]1COCC[C@H]1[N-]S(=O)(=O)c1cc(Br)ccc1C#N	ZINC000416471151	559315719	/nfs/dbraw/zinc/31/57/19/559315719.db2.gz	OTEJKVLPGVJNDR-JOYOIKCWSA-N	-1	3	359.245	2.024	20	30		FEEDHM
C[C@H]1CC[C@H](C[N-]S(=O)(=O)c2cc(Br)ccc2C#N)O1	ZINC000416539186	559320553	/nfs/dbraw/zinc/32/05/53/559320553.db2.gz	YBVFKSRKTWRHIO-JOYOIKCWSA-N	-1	3	359.245	2.167	20	30		FEEDHM
N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCCC(F)(F)[C@@H]2O)c1	ZINC000416626732	559325895	/nfs/dbraw/zinc/32/58/95/559325895.db2.gz	SUVPKZAFCZETBI-CMPLNLGQSA-N	-1	3	350.774	2.039	20	30		FEEDHM
CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(NC(=O)NC[C@H]2CCCO2)cc1	ZINC000416938419	559339243	/nfs/dbraw/zinc/33/92/43/559339243.db2.gz	FPNXRRZTURBZNC-HUUCEWRRSA-N	-1	3	366.443	2.031	20	30		FEEDHM
C=CCN1CCC([N-]S(=O)(=O)c2cc(F)ccc2OC(F)F)CC1	ZINC000420677195	559497361	/nfs/dbraw/zinc/49/73/61/559497361.db2.gz	MJKRATDEDVOUKB-UHFFFAOYSA-N	-1	3	364.389	2.356	20	30		FEEDHM
C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)CCOCC2CC2)cc1	ZINC000424066863	559653442	/nfs/dbraw/zinc/65/34/42/559653442.db2.gz	ODHMQLTYPIJKFO-UHFFFAOYSA-N	-1	3	353.444	2.162	20	30		FEEDHM
C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1ccc(Br)c(F)c1	ZINC000425177780	559689707	/nfs/dbraw/zinc/68/97/07/559689707.db2.gz	IGACVDHZSAUUCD-ZANVPECISA-N	-1	3	364.236	2.458	20	30		FEEDHM
COC(=O)c1conc1C(C)(C)[N-]S(=O)(=O)CC1(C#N)CCCCC1	ZINC000425225049	559692335	/nfs/dbraw/zinc/69/23/35/559692335.db2.gz	FQALFBSUMPXPAD-UHFFFAOYSA-N	-1	3	369.443	2.090	20	30		FEEDHM
CCC[C@@H](C)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1C#N	ZINC000431613303	559842616	/nfs/dbraw/zinc/84/26/16/559842616.db2.gz	FEUFKYMUMFFCRV-LLVKDONJSA-N	-1	3	357.863	2.042	20	30		FEEDHM
Cc1noc(C)c1C[N-]S(=O)(=O)c1ccc(C#N)c(Br)c1	ZINC000432865191	559866674	/nfs/dbraw/zinc/86/66/74/559866674.db2.gz	JUSNDINEQIRJHL-UHFFFAOYSA-N	-1	3	370.228	2.404	20	30		FEEDHM
Cc1ccccc1OCC[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000443029421	560066633	/nfs/dbraw/zinc/06/66/33/560066633.db2.gz	RVPFMJAGKQCMKN-UHFFFAOYSA-N	-1	3	361.379	2.132	20	30		FEEDHM
CCOC(=O)[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)[C@@H](C)CC	ZINC000443305096	560078684	/nfs/dbraw/zinc/07/86/84/560078684.db2.gz	CHNVFUFLBTYZQP-IINYFYTJSA-N	-1	3	358.847	2.468	20	30		FEEDHM
COC(=O)c1ccc(S(=O)(=O)[N-][C@@]2(C#N)CCC[C@H](C)C2)cc1F	ZINC000446749391	560151111	/nfs/dbraw/zinc/15/11/11/560151111.db2.gz	ALXSYLWITZDUCH-ZBEGNZNMSA-N	-1	3	354.403	2.363	20	30		FEEDHM
CCOC(=O)c1nc(C2CCN(c3cccc(C#N)c3[N+](=O)[O-])CC2)n[n-]1	ZINC000450483982	560263841	/nfs/dbraw/zinc/26/38/41/560263841.db2.gz	JSYLZCDQYPZEAQ-UHFFFAOYSA-N	-1	3	370.369	2.145	20	30		FEEDHM
CCOC(=O)c1nnc(C2CCN(c3cccc(C#N)c3[N+](=O)[O-])CC2)[n-]1	ZINC000450483982	560263842	/nfs/dbraw/zinc/26/38/42/560263842.db2.gz	JSYLZCDQYPZEAQ-UHFFFAOYSA-N	-1	3	370.369	2.145	20	30		FEEDHM
CCOC(=O)c1n[n-]c(C2CCN(c3cccc(C#N)c3[N+](=O)[O-])CC2)n1	ZINC000450483982	560263843	/nfs/dbraw/zinc/26/38/43/560263843.db2.gz	JSYLZCDQYPZEAQ-UHFFFAOYSA-N	-1	3	370.369	2.145	20	30		FEEDHM
CC[C@H]([N-]S(=O)(=O)c1ccc(CC#N)cc1Cl)[C@@H](O)C(F)F	ZINC000451714950	560324171	/nfs/dbraw/zinc/32/41/71/560324171.db2.gz	WMWIZBSXHAPKMH-CMPLNLGQSA-N	-1	3	352.790	2.089	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C(=O)OC(C)C)C(C)C	ZINC000452891084	560377006	/nfs/dbraw/zinc/37/70/06/560377006.db2.gz	RHZHEGVPOVYHMR-KRWDZBQOSA-N	-1	3	361.442	2.301	20	30		FEEDHM
CCn1c(=O)[n-]c(=O)c2c(C(=O)NCC(C)(C)CC#N)cc(C(C)C)nc21	ZINC000457984500	560597937	/nfs/dbraw/zinc/59/79/37/560597937.db2.gz	DELNBPWFTDNGCV-UHFFFAOYSA-N	-1	3	371.441	2.310	20	30		FEEDHM
Cc1nn2cc(S(=O)(=O)[N-][C@@](C)(C#N)C(C)(C)C)cnc2c1Cl	ZINC000464415670	560840999	/nfs/dbraw/zinc/84/09/99/560840999.db2.gz	ZVUPYWYLIHVDTL-AWEZNQCLSA-N	-1	3	355.851	2.298	20	30		FEEDHM
N#Cc1ccnc(N2CCN(C(=O)CCCc3ccc([O-])c(F)c3)CC2)c1	ZINC000468348748	560927738	/nfs/dbraw/zinc/92/77/38/560927738.db2.gz	BYZVZEGNBZVSIU-UHFFFAOYSA-N	-1	3	368.412	2.469	20	30		FEEDHM
COCCOc1ccc(F)cc1S(=O)(=O)[N-][C@](C)(C#N)C(C)(C)C	ZINC000468782600	560938617	/nfs/dbraw/zinc/93/86/17/560938617.db2.gz	CDHVMARPMJAAAZ-MRXNPFEDSA-N	-1	3	358.435	2.458	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]CCOC(F)(F)F)c(C(F)(F)F)c1	ZINC000474394195	561073047	/nfs/dbraw/zinc/07/30/47/561073047.db2.gz	RGEBNGZSUBSIHL-UHFFFAOYSA-N	-1	3	362.251	2.392	20	30		FEEDHM
CC#CCC[N-]S(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1	ZINC000476500045	561120972	/nfs/dbraw/zinc/12/09/72/561120972.db2.gz	MUQUCXYMFBOKPO-UHFFFAOYSA-N	-1	3	356.513	2.145	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(-c2nc(Cc3ccncc3)no2)ccc1F	ZINC000546302292	562635821	/nfs/dbraw/zinc/63/58/21/562635821.db2.gz	AHWMDDIHHYCJON-UHFFFAOYSA-N	-1	3	374.397	2.326	20	30		FEEDHM
N#Cc1ccc(F)c(CS(=O)(=O)[N-][C@H]2COc3ccc(F)cc3C2)c1	ZINC000569382847	568399914	/nfs/dbraw/zinc/39/99/14/568399914.db2.gz	IFEMQDDLCIHHNM-OAHLLOKOSA-N	-1	3	364.373	2.260	20	30		FEEDHM
N#C[C@H](NC(=O)COc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)cc1	ZINC000737677131	598825975	/nfs/dbraw/zinc/82/59/75/598825975.db2.gz	ZWLCZSNQCBJBKJ-HNNXBMFYSA-N	-1	3	368.784	2.280	20	30		FEEDHM
C#CCSCCNC(=O)N(CCC)Cc1ccc(-c2nnn[n-]2)cc1	ZINC000735387848	598891368	/nfs/dbraw/zinc/89/13/68/598891368.db2.gz	HZANWKQWLBTYOO-UHFFFAOYSA-N	-1	3	358.471	2.155	20	30		FEEDHM
C#CCSCCNC(=O)N(CCC)Cc1ccc(-c2nn[n-]n2)cc1	ZINC000735387848	598891369	/nfs/dbraw/zinc/89/13/69/598891369.db2.gz	HZANWKQWLBTYOO-UHFFFAOYSA-N	-1	3	358.471	2.155	20	30		FEEDHM
C#CC(C)(C)NC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1	ZINC000735375717	598893569	/nfs/dbraw/zinc/89/35/69/598893569.db2.gz	PYQLYMMXNQWPLW-UHFFFAOYSA-N	-1	3	351.366	2.180	20	30		FEEDHM
C#CC(C)(C)NC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1	ZINC000735375717	598893571	/nfs/dbraw/zinc/89/35/71/598893571.db2.gz	PYQLYMMXNQWPLW-UHFFFAOYSA-N	-1	3	351.366	2.180	20	30		FEEDHM
COc1ccc(CCC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1F	ZINC000737086798	598918193	/nfs/dbraw/zinc/91/81/93/598918193.db2.gz	JHEHIMVRYWAXMY-UHFFFAOYSA-N	-1	3	366.356	2.457	20	30		FEEDHM
COc1ccc(CCC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1F	ZINC000737086798	598918194	/nfs/dbraw/zinc/91/81/94/598918194.db2.gz	JHEHIMVRYWAXMY-UHFFFAOYSA-N	-1	3	366.356	2.457	20	30		FEEDHM
COc1ccc(SCC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1	ZINC000737116835	598920535	/nfs/dbraw/zinc/92/05/35/598920535.db2.gz	RUJVFHRASWLKDG-UHFFFAOYSA-N	-1	3	366.406	2.478	20	30		FEEDHM
COc1ccc(SCC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1	ZINC000737116835	598920537	/nfs/dbraw/zinc/92/05/37/598920537.db2.gz	RUJVFHRASWLKDG-UHFFFAOYSA-N	-1	3	366.406	2.478	20	30		FEEDHM
CC(C)(C)CC(=O)N1CCC(=NNCc2ccc(-c3nnn[n-]3)cc2)CC1	ZINC000819907383	607253780	/nfs/dbraw/zinc/25/37/80/607253780.db2.gz	NVQNHKHFBLEQKC-UHFFFAOYSA-N	-1	3	369.473	2.371	20	30		FEEDHM
CC(C)(C)CC(=O)N1CCC(=NNCc2ccc(-c3nn[n-]n3)cc2)CC1	ZINC000819907383	607253781	/nfs/dbraw/zinc/25/37/81/607253781.db2.gz	NVQNHKHFBLEQKC-UHFFFAOYSA-N	-1	3	369.473	2.371	20	30		FEEDHM
COCCOc1ccc(C=NNCc2ccc(-c3nnn[n-]3)cc2)cc1	ZINC000821693625	607254009	/nfs/dbraw/zinc/25/40/09/607254009.db2.gz	GYPUMGMEPUEWNR-UHFFFAOYSA-N	-1	3	352.398	2.016	20	30		FEEDHM
COCCOc1ccc(C=NNCc2ccc(-c3nn[n-]n3)cc2)cc1	ZINC000821693625	607254010	/nfs/dbraw/zinc/25/40/10/607254010.db2.gz	GYPUMGMEPUEWNR-UHFFFAOYSA-N	-1	3	352.398	2.016	20	30		FEEDHM
CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc(C#N)nc1	ZINC000735831707	598989262	/nfs/dbraw/zinc/98/92/62/598989262.db2.gz	TVGOMMKUZBUSBF-UHFFFAOYSA-N	-1	3	361.409	2.432	20	30		FEEDHM
CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc(C#N)nc1	ZINC000735831707	598989264	/nfs/dbraw/zinc/98/92/64/598989264.db2.gz	TVGOMMKUZBUSBF-UHFFFAOYSA-N	-1	3	361.409	2.432	20	30		FEEDHM
Cc1c(N[C@H]2CCN(c3sccc3C#N)C2=O)cccc1-c1nnn[n-]1	ZINC000822115673	607256658	/nfs/dbraw/zinc/25/66/58/607256658.db2.gz	HFKDSQYUHCEKSN-AWEZNQCLSA-N	-1	3	365.422	2.326	20	30		FEEDHM
Cc1c(N[C@H]2CCN(c3sccc3C#N)C2=O)cccc1-c1nn[n-]n1	ZINC000822115673	607256659	/nfs/dbraw/zinc/25/66/59/607256659.db2.gz	HFKDSQYUHCEKSN-AWEZNQCLSA-N	-1	3	365.422	2.326	20	30		FEEDHM
Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N(CCC#N)CC(C)(C)C	ZINC000737221298	599004112	/nfs/dbraw/zinc/00/41/12/599004112.db2.gz	KXMFENKDFDGGBR-UHFFFAOYSA-N	-1	3	362.459	2.126	20	30		FEEDHM
Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N(CCC#N)CC(C)(C)C	ZINC000737221298	599004114	/nfs/dbraw/zinc/00/41/14/599004114.db2.gz	KXMFENKDFDGGBR-UHFFFAOYSA-N	-1	3	362.459	2.126	20	30		FEEDHM
Cc1c(N[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)cccc1-c1nnn[n-]1	ZINC000822116135	607258327	/nfs/dbraw/zinc/25/83/27/607258327.db2.gz	NQIQPCMGISORNW-QGZVFWFLSA-N	-1	3	359.393	2.264	20	30		FEEDHM
Cc1c(N[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)cccc1-c1nn[n-]n1	ZINC000822116135	607258328	/nfs/dbraw/zinc/25/83/28/607258328.db2.gz	NQIQPCMGISORNW-QGZVFWFLSA-N	-1	3	359.393	2.264	20	30		FEEDHM
C=CCN1C(=O)C(=Cc2ccc(OC)c(-c3nnn[n-]3)c2)SC1=S	ZINC000735426954	599150151	/nfs/dbraw/zinc/15/01/51/599150151.db2.gz	ZMOMWVBXXDNWRN-WQLSENKSSA-N	-1	3	359.436	2.263	20	30		FEEDHM
C=CCN1C(=O)C(=Cc2ccc(OC)c(-c3nn[n-]n3)c2)SC1=S	ZINC000735426954	599150153	/nfs/dbraw/zinc/15/01/53/599150153.db2.gz	ZMOMWVBXXDNWRN-WQLSENKSSA-N	-1	3	359.436	2.263	20	30		FEEDHM
C[C@@](C#N)(NC(=O)c1cncc([N-]S(C)(=O)=O)c1)C1CCCCC1	ZINC000556763167	674418186	/nfs/dbraw/zinc/41/81/86/674418186.db2.gz	FBSGQALDHZYDQX-INIZCTEOSA-N	-1	3	350.444	2.045	20	30		FEEDHM
C[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1	ZINC000736187957	599191137	/nfs/dbraw/zinc/19/11/37/599191137.db2.gz	FAKWJXCXQXZDAI-SNVBAGLBSA-N	-1	3	352.329	2.283	20	30		FEEDHM
C[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1	ZINC000736187957	599191140	/nfs/dbraw/zinc/19/11/40/599191140.db2.gz	FAKWJXCXQXZDAI-SNVBAGLBSA-N	-1	3	352.329	2.283	20	30		FEEDHM
C=CCNc1ncc(C(=O)OCc2cc(-c3nnn[n-]3)ccc2F)s1	ZINC000819750370	607263470	/nfs/dbraw/zinc/26/34/70/607263470.db2.gz	DPWICQLXVARVSH-UHFFFAOYSA-N	-1	3	360.374	2.417	20	30		FEEDHM
C=CCNc1ncc(C(=O)OCc2cc(-c3nn[n-]n3)ccc2F)s1	ZINC000819750370	607263471	/nfs/dbraw/zinc/26/34/71/607263471.db2.gz	DPWICQLXVARVSH-UHFFFAOYSA-N	-1	3	360.374	2.417	20	30		FEEDHM
COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)CSCC(=O)[O-]	ZINC000739860340	597105334	/nfs/dbraw/zinc/10/53/34/597105334.db2.gz	MXWODRYZERXQHY-SECBINFHSA-N	-1	3	370.814	2.122	20	30		FEEDHM
C=C(Br)CNC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C	ZINC000735398630	598280375	/nfs/dbraw/zinc/28/03/75/598280375.db2.gz	MBUTXCBBYKMOAY-UHFFFAOYSA-N	-1	3	368.239	2.453	20	30		FEEDHM
C=C(Br)CNC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C	ZINC000735398630	598280377	/nfs/dbraw/zinc/28/03/77/598280377.db2.gz	MBUTXCBBYKMOAY-UHFFFAOYSA-N	-1	3	368.239	2.453	20	30		FEEDHM
N#CCOc1cccc(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c1	ZINC000737697642	598324657	/nfs/dbraw/zinc/32/46/57/598324657.db2.gz	JZQMZNXPEHQOHH-UHFFFAOYSA-N	-1	3	367.344	2.230	20	30		FEEDHM
N#CCOc1cccc(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c1	ZINC000737697642	598324658	/nfs/dbraw/zinc/32/46/58/598324658.db2.gz	JZQMZNXPEHQOHH-UHFFFAOYSA-N	-1	3	367.344	2.230	20	30		FEEDHM
C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCC#Cc1ccc(F)cc1	ZINC000820548572	607351849	/nfs/dbraw/zinc/35/18/49/607351849.db2.gz	CGJJLNJOVKRARZ-ZDUSSCGKSA-N	-1	3	366.352	2.368	20	30		FEEDHM
C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OCC#Cc1ccc(F)cc1	ZINC000820548572	607351851	/nfs/dbraw/zinc/35/18/51/607351851.db2.gz	CGJJLNJOVKRARZ-ZDUSSCGKSA-N	-1	3	366.352	2.368	20	30		FEEDHM
C[C@@H](CC#N)NC(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1	ZINC000735963513	598375486	/nfs/dbraw/zinc/37/54/86/598375486.db2.gz	GHGGSZHMJKORES-JTQLQIEISA-N	-1	3	368.426	2.338	20	30		FEEDHM
C[C@@H](CC#N)NC(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1	ZINC000735963513	598375488	/nfs/dbraw/zinc/37/54/88/598375488.db2.gz	GHGGSZHMJKORES-JTQLQIEISA-N	-1	3	368.426	2.338	20	30		FEEDHM
C=C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C(F)(F)F)CC1	ZINC000735402962	598509399	/nfs/dbraw/zinc/50/93/99/598509399.db2.gz	MIUUJICZOYQWGY-UHFFFAOYSA-N	-1	3	373.360	2.226	20	30		FEEDHM
C=C1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C(F)(F)F)CC1	ZINC000735402962	598509400	/nfs/dbraw/zinc/50/94/00/598509400.db2.gz	MIUUJICZOYQWGY-UHFFFAOYSA-N	-1	3	373.360	2.226	20	30		FEEDHM
CC[C@@](C)(C#N)NC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1	ZINC000736314619	598549430	/nfs/dbraw/zinc/54/94/30/598549430.db2.gz	SJCMZBGAGYYUDZ-SFHVURJKSA-N	-1	3	366.381	2.461	20	30		FEEDHM
CN(C(=O)Cc1ccc(OCC#N)cc1)c1ccc(-c2nnn[n-]2)cc1F	ZINC000736740045	598657201	/nfs/dbraw/zinc/65/72/01/598657201.db2.gz	YKVPKGSOQKGZLB-UHFFFAOYSA-N	-1	3	366.356	2.114	20	30		FEEDHM
CN(C(=O)Cc1ccc(OCC#N)cc1)c1ccc(-c2nn[n-]n2)cc1F	ZINC000736740045	598657202	/nfs/dbraw/zinc/65/72/02/598657202.db2.gz	YKVPKGSOQKGZLB-UHFFFAOYSA-N	-1	3	366.356	2.114	20	30		FEEDHM
C=CC1CCN(C(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)CC1	ZINC000735403350	598666124	/nfs/dbraw/zinc/66/61/24/598666124.db2.gz	USUVVDYMUOYFLR-QGZVFWFLSA-N	-1	3	352.442	2.260	20	30		FEEDHM
C=CCOc1ccc(C(=O)OCCNc2ncccc2-c2nnn[n-]2)cc1	ZINC000735437724	598737730	/nfs/dbraw/zinc/73/77/30/598737730.db2.gz	QCGYYBCJRNZBIE-UHFFFAOYSA-N	-1	3	366.381	2.095	20	30		FEEDHM
C=CCOc1ccc(C(=O)OCCNc2ncccc2-c2nn[n-]n2)cc1	ZINC000735437724	598737731	/nfs/dbraw/zinc/73/77/31/598737731.db2.gz	QCGYYBCJRNZBIE-UHFFFAOYSA-N	-1	3	366.381	2.095	20	30		FEEDHM
Cc1ccc(C#N)cc1S(=O)(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1	ZINC000822225099	599326065	/nfs/dbraw/zinc/32/60/65/599326065.db2.gz	OBHKENQAGWAUPQ-LBPRGKRZSA-N	-1	3	368.422	2.086	20	30		FEEDHM
Cc1ccc(C#N)cc1S(=O)(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1	ZINC000822225099	599326067	/nfs/dbraw/zinc/32/60/67/599326067.db2.gz	OBHKENQAGWAUPQ-LBPRGKRZSA-N	-1	3	368.422	2.086	20	30		FEEDHM
CN(Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)Cc1cccc(C#N)c1	ZINC000821613555	599559447	/nfs/dbraw/zinc/55/94/47/599559447.db2.gz	RXPFYZHBRYETLF-UHFFFAOYSA-N	-1	3	372.392	2.420	20	30		FEEDHM
CN(Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)Cc1cccc(C#N)c1	ZINC000821613555	599559449	/nfs/dbraw/zinc/55/94/49/599559449.db2.gz	RXPFYZHBRYETLF-UHFFFAOYSA-N	-1	3	372.392	2.420	20	30		FEEDHM
COc1ccc(NC(=O)C(C#N)C(=O)CCSCC(=O)[O-])cc1Cl	ZINC000738027095	599798764	/nfs/dbraw/zinc/79/87/64/599798764.db2.gz	UZQOWKHZGZWSFD-SNVBAGLBSA-N	-1	3	370.814	2.204	20	30		FEEDHM
N#Cc1cccc(C2(NC(=O)c3c(F)cc(-c4nnn[n-]4)cc3F)CC2)c1	ZINC000826386726	607447644	/nfs/dbraw/zinc/44/76/44/607447644.db2.gz	QLGPQYXDEKQLKU-UHFFFAOYSA-N	-1	3	366.331	2.436	20	30		FEEDHM
N#Cc1cccc(C2(NC(=O)c3c(F)cc(-c4nn[n-]n4)cc3F)CC2)c1	ZINC000826386726	607447646	/nfs/dbraw/zinc/44/76/46/607447646.db2.gz	QLGPQYXDEKQLKU-UHFFFAOYSA-N	-1	3	366.331	2.436	20	30		FEEDHM
N#Cc1ccc([C@H](NCCCS(=O)(=O)c2ccccc2)C(=O)[O-])cc1	ZINC000739108043	600597258	/nfs/dbraw/zinc/59/72/58/600597258.db2.gz	SNAPHLZQDCXDAX-KRWDZBQOSA-N	-1	3	358.419	2.138	20	30		FEEDHM
Fc1ccc(CNC(=S)NN=Cc2ccc(-c3nnn[n-]3)cc2F)cc1	ZINC000822771653	607463930	/nfs/dbraw/zinc/46/39/30/607463930.db2.gz	JGDNQTMXRQPRQL-UHFFFAOYSA-N	-1	3	373.392	2.143	20	30		FEEDHM
Fc1ccc(CNC(=S)NN=Cc2ccc(-c3nn[n-]n3)cc2F)cc1	ZINC000822771653	607463931	/nfs/dbraw/zinc/46/39/31/607463931.db2.gz	JGDNQTMXRQPRQL-UHFFFAOYSA-N	-1	3	373.392	2.143	20	30		FEEDHM
C[C@@H](C(=O)[O-])[C@H](NCC(=O)NCc1ccc(C#N)cc1)c1ccccc1	ZINC000826055393	601650360	/nfs/dbraw/zinc/65/03/60/601650360.db2.gz	ZUQDFKFHMIXABY-KUHUBIRLSA-N	-1	3	351.406	2.226	20	30		FEEDHM
N#Cc1cccc(C(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)c1	ZINC000833073449	601731354	/nfs/dbraw/zinc/73/13/54/601731354.db2.gz	BTQDJPAIUYHFGB-OAQYLSRUSA-N	-1	3	363.417	2.407	20	30		FEEDHM
C[C@@H]1CCCC[C@@]1(CNC(=O)[O-])NCC(=O)Nc1sccc1C#N	ZINC000739098156	602432517	/nfs/dbraw/zinc/43/25/17/602432517.db2.gz	HSLPFOLICXAFKX-BZNIZROVSA-N	-1	3	350.444	2.364	20	30		FEEDHM
C=CCN1CCC(NC(=O)Nc2cccc(OCCNC(=O)[O-])c2)CC1	ZINC000738491269	602470465	/nfs/dbraw/zinc/47/04/65/602470465.db2.gz	HSPIDXHRENXBSJ-UHFFFAOYSA-N	-1	3	362.430	2.105	20	30		FEEDHM
CN(C[C@@H]1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1)C(=O)[O-]	ZINC000739658531	602542972	/nfs/dbraw/zinc/54/29/72/602542972.db2.gz	FENFOHOIWPOSKW-QWHCGFSZSA-N	-1	3	372.450	2.404	20	30		FEEDHM
Cc1cccc(S(=O)(=O)N[C@@H](C)c2cccc(C#N)c2)c1-c1nnn[n-]1	ZINC000826302336	607656103	/nfs/dbraw/zinc/65/61/03/607656103.db2.gz	GQFAVEXQGGDAGH-LBPRGKRZSA-N	-1	3	368.422	2.086	20	30		FEEDHM
Cc1cccc(S(=O)(=O)N[C@@H](C)c2cccc(C#N)c2)c1-c1nn[n-]n1	ZINC000826302336	607656104	/nfs/dbraw/zinc/65/61/04/607656104.db2.gz	GQFAVEXQGGDAGH-LBPRGKRZSA-N	-1	3	368.422	2.086	20	30		FEEDHM
C=C(C)CN1CCC(NC(=O)N2CCC[C@H]([C@@H](C)NC(=O)[O-])C2)CC1	ZINC000823481030	604141838	/nfs/dbraw/zinc/14/18/38/604141838.db2.gz	VWJMGOAPYVCODL-CABCVRRESA-N	-1	3	352.479	2.105	20	30		FEEDHM
C#CCN1CCC(C(=O)Nc2ccc(Br)c(C(=O)[O-])c2)CC1	ZINC000833364529	605154243	/nfs/dbraw/zinc/15/42/43/605154243.db2.gz	ONSZMCKGUFNAQL-UHFFFAOYSA-N	-1	3	365.227	2.431	20	30		FEEDHM
NC(=NOCc1ccccc1-c1nnn[n-]1)c1ccc(Br)o1	ZINC000822850660	606178406	/nfs/dbraw/zinc/17/84/06/606178406.db2.gz	MPIQXLYJNMDFGF-UHFFFAOYSA-N	-1	3	363.175	2.059	20	30		FEEDHM
NC(=NOCc1ccccc1-c1nn[n-]n1)c1ccc(Br)o1	ZINC000822850660	606178408	/nfs/dbraw/zinc/17/84/08/606178408.db2.gz	MPIQXLYJNMDFGF-UHFFFAOYSA-N	-1	3	363.175	2.059	20	30		FEEDHM
COC(=O)[C@@H](N[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1cccc(C#N)c1	ZINC000821640198	606309683	/nfs/dbraw/zinc/30/96/83/606309683.db2.gz	CMWCJQOGQPBOOF-PXAZEXFGSA-N	-1	3	362.393	2.303	20	30		FEEDHM
COC(=O)[C@@H](N[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1cccc(C#N)c1	ZINC000821640198	606309684	/nfs/dbraw/zinc/30/96/84/606309684.db2.gz	CMWCJQOGQPBOOF-PXAZEXFGSA-N	-1	3	362.393	2.303	20	30		FEEDHM
N#Cc1ccc(CNC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)c(F)c1	ZINC000822826153	606349676	/nfs/dbraw/zinc/34/96/76/606349676.db2.gz	UYGVJOJBVCPPOP-UHFFFAOYSA-N	-1	3	355.308	2.338	20	30		FEEDHM
N#Cc1ccc(CNC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)c(F)c1	ZINC000822826153	606349677	/nfs/dbraw/zinc/34/96/77/606349677.db2.gz	UYGVJOJBVCPPOP-UHFFFAOYSA-N	-1	3	355.308	2.338	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCCSC1	ZINC000819743129	606385326	/nfs/dbraw/zinc/38/53/26/606385326.db2.gz	DDFIGZMKTPKBCQ-OAHLLOKOSA-N	-1	3	358.471	2.460	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CCCSC1	ZINC000819743129	606385328	/nfs/dbraw/zinc/38/53/28/606385328.db2.gz	DDFIGZMKTPKBCQ-OAHLLOKOSA-N	-1	3	358.471	2.460	20	30		FEEDHM
N#Cc1cccc(CC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c1	ZINC000822837118	606503813	/nfs/dbraw/zinc/50/38/13/606503813.db2.gz	FSOXSMSIAYYMAV-UHFFFAOYSA-N	-1	3	358.405	2.472	20	30		FEEDHM
N#Cc1cccc(CC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c1	ZINC000822837118	606503815	/nfs/dbraw/zinc/50/38/15/606503815.db2.gz	FSOXSMSIAYYMAV-UHFFFAOYSA-N	-1	3	358.405	2.472	20	30		FEEDHM
CN(Cc1ccc(C#N)cc1)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F	ZINC000821609952	606668162	/nfs/dbraw/zinc/66/81/62/606668162.db2.gz	SNQWLMAIEZQGSL-UHFFFAOYSA-N	-1	3	354.320	2.289	20	30		FEEDHM
CN(Cc1ccc(C#N)cc1)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F	ZINC000821609952	606668163	/nfs/dbraw/zinc/66/81/63/606668163.db2.gz	SNQWLMAIEZQGSL-UHFFFAOYSA-N	-1	3	354.320	2.289	20	30		FEEDHM
Cc1c2ccccc2oc(=O)c1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1	ZINC000822021014	606680905	/nfs/dbraw/zinc/68/09/05/606680905.db2.gz	RMCXVVLSBZMHGE-UHFFFAOYSA-N	-1	3	372.344	2.406	20	30		FEEDHM
CC(C)CN(CCC#N)CC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1	ZINC000820086759	606693896	/nfs/dbraw/zinc/69/38/96/606693896.db2.gz	DVSGHEFIUGOUEZ-UHFFFAOYSA-N	-1	3	361.837	2.330	20	30		FEEDHM
CC(C)CN(CCC#N)CC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1	ZINC000820086759	606693897	/nfs/dbraw/zinc/69/38/97/606693897.db2.gz	DVSGHEFIUGOUEZ-UHFFFAOYSA-N	-1	3	361.837	2.330	20	30		FEEDHM
N#Cc1cccc(CNC(=O)CNc2ccc(-c3nn[n-]n3)cc2Cl)c1	ZINC000822837841	607125184	/nfs/dbraw/zinc/12/51/84/607125184.db2.gz	VHGQDBKCAVEYMA-UHFFFAOYSA-N	-1	3	367.800	2.120	20	30		FEEDHM
COc1cccc2c1OCCC2=NNCc1ccc(-c2nnn[n-]2)cc1	ZINC000821877374	607251843	/nfs/dbraw/zinc/25/18/43/607251843.db2.gz	HOYSQSLZQUVTDO-UHFFFAOYSA-N	-1	3	350.382	2.152	20	30		FEEDHM
COc1cccc2c1OCCC2=NNCc1ccc(-c2nn[n-]n2)cc1	ZINC000821877374	607251844	/nfs/dbraw/zinc/25/18/44/607251844.db2.gz	HOYSQSLZQUVTDO-UHFFFAOYSA-N	-1	3	350.382	2.152	20	30		FEEDHM
C[C@@H](C#N)CN(C(=O)CSCc1ccc(-c2nnn[n-]2)cc1)C1CC1	ZINC000824035060	607823795	/nfs/dbraw/zinc/82/37/95/607823795.db2.gz	SKPKNIUELDVZHR-LBPRGKRZSA-N	-1	3	356.455	2.251	20	30		FEEDHM
C[C@@H](C#N)CN(C(=O)CSCc1ccc(-c2nn[n-]n2)cc1)C1CC1	ZINC000824035060	607823796	/nfs/dbraw/zinc/82/37/96/607823796.db2.gz	SKPKNIUELDVZHR-LBPRGKRZSA-N	-1	3	356.455	2.251	20	30		FEEDHM
N#Cc1cccc([C@@H]2CN(Cc3ccc(F)cc3-c3nnn[n-]3)CCO2)c1	ZINC000826386686	608069058	/nfs/dbraw/zinc/06/90/58/608069058.db2.gz	OMSMCZVOGLTHNB-SFHVURJKSA-N	-1	3	364.384	2.451	20	30		FEEDHM
N#Cc1cccc([C@@H]2CN(Cc3ccc(F)cc3-c3nn[n-]n3)CCO2)c1	ZINC000826386686	608069059	/nfs/dbraw/zinc/06/90/59/608069059.db2.gz	OMSMCZVOGLTHNB-SFHVURJKSA-N	-1	3	364.384	2.451	20	30		FEEDHM
COC[C@@H](C#N)OC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1	ZINC000826148098	608147271	/nfs/dbraw/zinc/14/72/71/608147271.db2.gz	YKQNFEAXXUCLOC-MRXNPFEDSA-N	-1	3	365.349	2.354	20	30		FEEDHM
COC[C@@H](C#N)OC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1	ZINC000826148098	608147272	/nfs/dbraw/zinc/14/72/72/608147272.db2.gz	YKQNFEAXXUCLOC-MRXNPFEDSA-N	-1	3	365.349	2.354	20	30		FEEDHM
COc1cc(-c2nnn[n-]2)ccc1Cn1cc(C#N)c(=O)c2ccccc21	ZINC000826173795	608264538	/nfs/dbraw/zinc/26/45/38/608264538.db2.gz	VBLLEPYREDSEQG-UHFFFAOYSA-N	-1	3	358.361	2.110	20	30		FEEDHM
COc1cc(-c2nn[n-]n2)ccc1Cn1cc(C#N)c(=O)c2ccccc21	ZINC000826173795	608264539	/nfs/dbraw/zinc/26/45/39/608264539.db2.gz	VBLLEPYREDSEQG-UHFFFAOYSA-N	-1	3	358.361	2.110	20	30		FEEDHM
C#CCCCCC(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1	ZINC000823838309	608301621	/nfs/dbraw/zinc/30/16/21/608301621.db2.gz	NXVRJWMHYUSJDR-UHFFFAOYSA-N	-1	3	353.426	2.430	20	30		FEEDHM
N#CCCCCNC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1	ZINC000826381506	608407140	/nfs/dbraw/zinc/40/71/40/608407140.db2.gz	OHXUYEMMPUYIRO-UHFFFAOYSA-N	-1	3	351.414	2.359	20	30		FEEDHM
N#CCCCCNC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1	ZINC000826381506	608407141	/nfs/dbraw/zinc/40/71/41/608407141.db2.gz	OHXUYEMMPUYIRO-UHFFFAOYSA-N	-1	3	351.414	2.359	20	30		FEEDHM
CC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1ccc2c(c1)CC(=O)N2	ZINC000823958382	608535355	/nfs/dbraw/zinc/53/53/55/608535355.db2.gz	LUYLDQCHWYIBGX-UHFFFAOYSA-N	-1	3	368.788	2.246	20	30		FEEDHM
CC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1ccc2c(c1)CC(=O)N2	ZINC000823958382	608535356	/nfs/dbraw/zinc/53/53/56/608535356.db2.gz	LUYLDQCHWYIBGX-UHFFFAOYSA-N	-1	3	368.788	2.246	20	30		FEEDHM
CCOc1ccc(-c2nn[n-]n2)cc1NCc1cnc2ccc(C#N)cn12	ZINC000825632445	609477030	/nfs/dbraw/zinc/47/70/30/609477030.db2.gz	SCFZFJZTHAXFIE-UHFFFAOYSA-N	-1	3	360.381	2.397	20	30		FEEDHM
Cc1cc(C(=O)N[C@@H](C#N)CC(C)C)nn1-c1cccc(-c2nnn[n-]2)c1	ZINC000826258645	609605346	/nfs/dbraw/zinc/60/53/46/609605346.db2.gz	QSCWJOUMSWTLLA-CQSZACIVSA-N	-1	3	364.413	2.029	20	30		FEEDHM
Cc1cc(C(=O)N[C@@H](C#N)CC(C)C)nn1-c1cccc(-c2nn[n-]n2)c1	ZINC000826258645	609605349	/nfs/dbraw/zinc/60/53/49/609605349.db2.gz	QSCWJOUMSWTLLA-CQSZACIVSA-N	-1	3	364.413	2.029	20	30		FEEDHM
O=C(OCC#Cc1ccc(Cl)cc1)[C@H](O)c1ccc(-c2nnn[n-]2)cc1	ZINC000826463012	609634220	/nfs/dbraw/zinc/63/42/20/609634220.db2.gz	POSKIWRNXJPIDG-MRXNPFEDSA-N	-1	3	368.780	2.148	20	30		FEEDHM
O=C(OCC#Cc1ccc(Cl)cc1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1	ZINC000826463012	609634222	/nfs/dbraw/zinc/63/42/22/609634222.db2.gz	POSKIWRNXJPIDG-MRXNPFEDSA-N	-1	3	368.780	2.148	20	30		FEEDHM
C#CCCCCCC(=O)O[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O	ZINC000823841919	609641686	/nfs/dbraw/zinc/64/16/86/609641686.db2.gz	VKOSTKUBNDKCFF-INIZCTEOSA-N	-1	3	367.409	2.099	20	30		FEEDHM
C#CCCCCCC(=O)O[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O	ZINC000823841919	609641687	/nfs/dbraw/zinc/64/16/87/609641687.db2.gz	VKOSTKUBNDKCFF-INIZCTEOSA-N	-1	3	367.409	2.099	20	30		FEEDHM
C=CCCCCCCCNC(=O)Cn1cc(Br)c(=O)[n-]c1=O	ZINC000811589732	674615491	/nfs/dbraw/zinc/61/54/91/674615491.db2.gz	DEULFYLKKGNOBV-UHFFFAOYSA-N	-1	3	372.263	2.354	20	30		FEEDHM
COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]CC1(C#N)CC1	ZINC000562386130	674748993	/nfs/dbraw/zinc/74/89/93/674748993.db2.gz	ZDKHJXYULNVSOU-UHFFFAOYSA-N	-1	3	350.421	2.270	20	30		FEEDHM
C#C[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]CC=C)c1)C(C)(C)C	ZINC000813774612	674779648	/nfs/dbraw/zinc/77/96/48/674779648.db2.gz	IJLDULYWQFLATJ-HNNXBMFYSA-N	-1	3	352.431	2.068	20	30		FEEDHM
Cc1nc([C@](C)([N-]S(=O)(=O)Cc2cc(C#N)ccc2F)C2CC2)no1	ZINC000562927141	674823128	/nfs/dbraw/zinc/82/31/28/674823128.db2.gz	LYBCHCQFEFVWHK-MRXNPFEDSA-N	-1	3	364.402	2.134	20	30		FEEDHM
CC(C)(CO)[C@@H]([N-]S(=O)(=O)c1cccc(F)c1C#N)c1cccnc1	ZINC000815052416	674907808	/nfs/dbraw/zinc/90/78/08/674907808.db2.gz	NQYZVQDTOYGPMO-INIZCTEOSA-N	-1	3	363.414	2.130	20	30		FEEDHM
CN(C)C(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cncc(C#N)c2)c1	ZINC000564550019	675034686	/nfs/dbraw/zinc/03/46/86/675034686.db2.gz	UDQOKLGNCXAGGB-UHFFFAOYSA-N	-1	3	364.814	2.109	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCc3ccccc32)ccc1F	ZINC000029052278	670094811	/nfs/dbraw/zinc/09/48/11/670094811.db2.gz	WVWNJXLOHRABJT-UHFFFAOYSA-N	-1	3	360.410	2.493	20	30		FEEDHM
O=C(N[C@@H]1CCCN([O-])C1=O)c1cc(F)c(Br)cc1Cl	ZINC000816753993	675077728	/nfs/dbraw/zinc/07/77/28/675077728.db2.gz	UEPIPJOFCZCIFC-SNVBAGLBSA-N	-1	3	365.586	2.352	20	30		FEEDHM
C=C[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1cc(C)c(Br)s1	ZINC000574898773	671284588	/nfs/dbraw/zinc/28/45/88/671284588.db2.gz	NXAADCKTUMUFFT-BDAKNGLRSA-N	-1	3	352.275	2.441	20	30		FEEDHM
COC(=O)C1([N-]S(=O)(=O)c2ccc(C#N)cc2F)CCCCCC1	ZINC000610081725	675952089	/nfs/dbraw/zinc/95/20/89/675952089.db2.gz	DTLRXYSXLFFPEN-UHFFFAOYSA-N	-1	3	354.403	2.242	20	30		FEEDHM
C=C[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1sc(C)cc1Br	ZINC000581984852	671955438	/nfs/dbraw/zinc/95/54/38/671955438.db2.gz	UWDQQIDCRBYZNE-ZJUUUORDSA-N	-1	3	352.275	2.441	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)OCc2cncs2)ccc1F	ZINC000122220909	671963987	/nfs/dbraw/zinc/96/39/87/671963987.db2.gz	LTMHHOCPXZMUIH-UHFFFAOYSA-N	-1	3	356.400	2.104	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1csc(N(C)C)n1	ZINC000610467924	675973473	/nfs/dbraw/zinc/97/34/73/675973473.db2.gz	JJHWQHXTOUEGOG-UHFFFAOYSA-N	-1	3	359.455	2.047	20	30		FEEDHM
COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C#N)cc2F)ccc1F	ZINC000135369707	672132055	/nfs/dbraw/zinc/13/20/55/672132055.db2.gz	BSZFHKJFUPVQQJ-UHFFFAOYSA-N	-1	3	352.318	2.424	20	30		FEEDHM
CC(=O)Nc1nc(C)c(S(=O)(=O)[N-][C@H](C#N)C2CCCCC2)s1	ZINC000611114182	676018886	/nfs/dbraw/zinc/01/88/86/676018886.db2.gz	FMEGGBJCWOBKOB-GFCCVEGCSA-N	-1	3	356.473	2.161	20	30		FEEDHM
N#CC1CN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)C1	ZINC000590488090	672585482	/nfs/dbraw/zinc/58/54/82/672585482.db2.gz	FPLDMGMEWPWSJB-UHFFFAOYSA-N	-1	3	359.382	2.222	20	30		FEEDHM
COC(=O)[C@@H](CC(C)(C)C)[N-]S(=O)(=O)Cc1ccc(CC#N)cc1	ZINC000592072852	672747308	/nfs/dbraw/zinc/74/73/08/672747308.db2.gz	ATIBKWDDBZULCM-OAHLLOKOSA-N	-1	3	352.456	2.150	20	30		FEEDHM
C#CC(C)(C)N(C)S(=O)(=O)c1ccc([N-]S(=O)(=O)CCCC)cc1	ZINC000195472734	672785585	/nfs/dbraw/zinc/78/55/85/672785585.db2.gz	MEYFWKFYQYNECG-UHFFFAOYSA-N	-1	3	372.512	2.261	20	30		FEEDHM
C=C(C)[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1ccc(C(=O)OCC)cc1F	ZINC000593590022	672952529	/nfs/dbraw/zinc/95/25/29/672952529.db2.gz	CFGTXXUZAUBBSS-BBRMVZONSA-N	-1	3	371.430	2.262	20	30		FEEDHM
O=C(NCc1nc(C(F)(F)F)n[n-]1)N1CCN(c2cccs2)CC1	ZINC000330149292	673086271	/nfs/dbraw/zinc/08/62/71/673086271.db2.gz	JZIRQFDDHPOKRC-UHFFFAOYSA-N	-1	3	360.365	2.121	20	30		FEEDHM
C=CCCCS(=O)(=O)[N-][C@H](Cc1ccncc1)C(=O)OC(C)(C)C	ZINC000594491794	673093588	/nfs/dbraw/zinc/09/35/88/673093588.db2.gz	RHZLNQZHPBYRQC-OAHLLOKOSA-N	-1	3	354.472	2.220	20	30		FEEDHM
C[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)c2ncnn21	ZINC000594810583	673150460	/nfs/dbraw/zinc/15/04/60/673150460.db2.gz	VOBIGHAOWVNHHH-KWQFWETISA-N	-1	3	371.344	2.153	20	30		FEEDHM
CC(C)[C@](C)(C#N)NC(=O)COC(=O)c1cccc(Br)c1[O-]	ZINC000730364462	673278028	/nfs/dbraw/zinc/27/80/28/673278028.db2.gz	GJUUHXOWLFEZEF-HNNXBMFYSA-N	-1	3	369.215	2.366	20	30		FEEDHM
C=CC[C@@H](CO)C[N-]S(=O)(=O)c1cc(C)c(Br)s1	ZINC000538120435	673422792	/nfs/dbraw/zinc/42/27/92/673422792.db2.gz	ZSOHJPOFWRTTRB-SECBINFHSA-N	-1	3	354.291	2.282	20	30		FEEDHM
Cc1cc(O)c(C=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)cc1C	ZINC000741762236	673696938	/nfs/dbraw/zinc/69/69/38/673696938.db2.gz	UMAFVMMDNMJXRM-UHFFFAOYSA-N	-1	3	363.395	2.371	20	30		FEEDHM
CC(C)[C@H](C)N(C)C(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000742522706	673729756	/nfs/dbraw/zinc/72/97/56/673729756.db2.gz	BXHYPOLNXUHKPQ-OLZOCXBDSA-N	-1	3	351.472	2.007	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)OCC(=O)C2CCCC2)ccc1F	ZINC000744687780	673806852	/nfs/dbraw/zinc/80/68/52/673806852.db2.gz	IRGFTSXVCVGOLS-UHFFFAOYSA-N	-1	3	369.414	2.206	20	30		FEEDHM
CC(F)(F)CCS(=O)(=O)[N-][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000601387831	673853451	/nfs/dbraw/zinc/85/34/51/673853451.db2.gz	GYRIQNLMFPZZAZ-CQSZACIVSA-N	-1	3	371.409	2.018	20	30		FEEDHM
O=C(N[C@H]1CCN([O-])C1=O)C1(Cc2ccc(OC(F)(F)F)cc2)CC1	ZINC000820143318	675339204	/nfs/dbraw/zinc/33/92/04/675339204.db2.gz	GILDWZSWVDRTLF-LBPRGKRZSA-N	-1	3	358.316	2.014	20	30		FEEDHM
O=C(Cc1csc(Cc2cccc(Cl)c2)n1)N[C@H]1CCN([O-])C1=O	ZINC000820143003	675339223	/nfs/dbraw/zinc/33/92/23/675339223.db2.gz	ALKJPVMYUHLTHR-ZDUSSCGKSA-N	-1	3	365.842	2.036	20	30		FEEDHM
O=C(N[C@@H]1CCN([O-])C1=O)C1(c2cccc(Br)c2)CCCC1	ZINC000820156527	675339983	/nfs/dbraw/zinc/33/99/83/675339983.db2.gz	KSSWIIYRJXRGKG-CYBMUJFWSA-N	-1	3	367.243	2.367	20	30		FEEDHM
C=CCCC[C@H](C)NS(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F	ZINC000823894404	675576115	/nfs/dbraw/zinc/57/61/15/675576115.db2.gz	PHRIGFBXTDAJTI-NSHDSACASA-N	-1	3	353.423	2.170	20	30		FEEDHM
C=CCCC[C@H](C)NS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F	ZINC000823894404	675576118	/nfs/dbraw/zinc/57/61/18/675576118.db2.gz	PHRIGFBXTDAJTI-NSHDSACASA-N	-1	3	353.423	2.170	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CC23CCCC3)ccc1F	ZINC000760584498	680693735	/nfs/dbraw/zinc/69/37/35/680693735.db2.gz	RGIDRYHJDKBQJP-HNNXBMFYSA-N	-1	3	352.431	2.353	20	30		FEEDHM
C[C@@H](CC(=O)O[C@@H](C)c1ccco1)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000764802350	680821462	/nfs/dbraw/zinc/82/14/62/680821462.db2.gz	VRYWUDYSYDWBCZ-RYUDHWBXSA-N	-1	3	362.407	2.401	20	30		FEEDHM
CC(C)(C)OC(=O)N1CCC(=N[N-]S(=O)(=O)Cc2ccccc2)CC1	ZINC000750936776	680141390	/nfs/dbraw/zinc/14/13/90/680141390.db2.gz	YFYHYAAZGDODOX-UHFFFAOYSA-N	-1	3	367.471	2.493	20	30		FEEDHM
C[C@@H]1CN(C)CC1N=Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000752169771	680226198	/nfs/dbraw/zinc/22/61/98/680226198.db2.gz	YXOVOIWFVFWOIF-LLVKDONJSA-N	-1	3	365.484	2.293	20	30		FEEDHM
O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)OC[C@H]1CCCCC1(F)F	ZINC000835648946	680365439	/nfs/dbraw/zinc/36/54/39/680365439.db2.gz	VZWJIVPVKGLTTG-LLVKDONJSA-N	-1	3	372.393	2.094	20	30		FEEDHM
COc1cc(C)nc(N=NCc2cc(O)cc(Br)c2[O-])n1	ZINC000755753356	680433452	/nfs/dbraw/zinc/43/34/52/680433452.db2.gz	PHNCSUOOIDXLDP-UHFFFAOYSA-N	-1	3	353.176	2.413	20	30		FEEDHM
O=C1CN(N=Cc2cc(Br)cc(C(F)(F)F)c2)C(=O)[N-]1	ZINC000758100426	680555284	/nfs/dbraw/zinc/55/52/84/680555284.db2.gz	VULQZNAOYOAHJO-UHFFFAOYSA-N	-1	3	350.094	2.354	20	30		FEEDHM
C[C@H](CC(=O)N[C@H](C)CC(C)(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000837228454	680571170	/nfs/dbraw/zinc/57/11/70/680571170.db2.gz	HWCHSCDMRDXREM-CHWSQXEVSA-N	-1	3	365.499	2.445	20	30		FEEDHM
C[C@@H](CC(=O)N1CC(C(C)(C)C)C1)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000837270594	680577456	/nfs/dbraw/zinc/57/74/56/680577456.db2.gz	OOJZWNSIEDOOHP-LBPRGKRZSA-N	-1	3	363.483	2.008	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H](C)[C@@H](C)[C@H]2C)ccc1F	ZINC000841360817	680874682	/nfs/dbraw/zinc/87/46/82/680874682.db2.gz	MENOXLBLVSQWDW-YNEHKIRRSA-N	-1	3	354.447	2.407	20	30		FEEDHM
CCCn1cc(C([O-])=C(C#N)C(=O)Nc2ccc(OC)c(Cl)c2)nn1	ZINC000766623951	680883088	/nfs/dbraw/zinc/88/30/88/680883088.db2.gz	WPHQUUCQVVMFNP-NSHDSACASA-N	-1	3	361.789	2.311	20	30		FEEDHM
C#C[C@@H](CC)[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl	ZINC000770379580	681014390	/nfs/dbraw/zinc/01/43/90/681014390.db2.gz	QJXQHYUXCRXIAQ-QMMMGPOBSA-N	-1	3	350.223	2.470	20	30		FEEDHM
Cc1nnc(COCC([O-])=C(C#N)C(=O)C2(c3ccccc3)CC2)s1	ZINC000845844872	681156212	/nfs/dbraw/zinc/15/62/12/681156212.db2.gz	UZUZRNQBKQEYMW-CQSZACIVSA-N	-1	3	355.419	2.373	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)c1ccsc1C#N)c1ccc2c(c1)CC(=O)N2C	ZINC000845853103	681156914	/nfs/dbraw/zinc/15/69/14/681156914.db2.gz	YENQZKHQUMSURP-JTQLQIEISA-N	-1	3	361.448	2.178	20	30		FEEDHM
CC(=NN=c1cc[n-]n1C)c1ccc(S(=O)(=O)CC(F)(F)F)cc1	ZINC000774411251	681185095	/nfs/dbraw/zinc/18/50/95/681185095.db2.gz	QWFYZZHJIDEJOM-UHFFFAOYSA-N	-1	3	360.361	2.014	20	30		FEEDHM
CN(C(=O)OC(C)(C)C)c1ccc(C(=O)N[C@@H]2CCCN([O-])C2=O)s1	ZINC000848132412	681478115	/nfs/dbraw/zinc/47/81/15/681478115.db2.gz	LBAMGWANRGCSCS-SNVBAGLBSA-N	-1	3	369.443	2.229	20	30		FEEDHM
O=C(N[C@H]1CCCN([O-])C1=O)c1cnc2ccccc2c1C(F)(F)F	ZINC000848137243	681478736	/nfs/dbraw/zinc/47/87/36/681478736.db2.gz	BKJYINMBZALACJ-LBPRGKRZSA-N	-1	3	353.300	2.364	20	30		FEEDHM
N#Cc1ccc([C@@H](O)C(=O)NCc2ccc([O-])c(Br)c2)cc1	ZINC000780985660	681892406	/nfs/dbraw/zinc/89/24/06/681892406.db2.gz	SOTJMONIHHWHQD-OAHLLOKOSA-N	-1	3	361.195	2.376	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2sccc2C#N)ccc1F	ZINC000914461266	685508098	/nfs/dbraw/zinc/50/80/98/685508098.db2.gz	XIAMKAHXCCNHSF-UHFFFAOYSA-N	-1	3	365.411	2.475	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@](C)(C#N)C2)ccc1F	ZINC000784745204	682251615	/nfs/dbraw/zinc/25/16/15/682251615.db2.gz	JDSBUXANANMPDG-QGZVFWFLSA-N	-1	3	365.430	2.056	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)OCc2cncc(C)c2)ccc1F	ZINC000785660640	682315723	/nfs/dbraw/zinc/31/57/23/682315723.db2.gz	BZMLKUMJCSJERU-UHFFFAOYSA-N	-1	3	364.398	2.350	20	30		FEEDHM
C=C[C@@H]1CCCCN1C(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000787680852	682472701	/nfs/dbraw/zinc/47/27/01/682472701.db2.gz	LCRUZMISNSNEHO-ZIAGYGMSSA-N	-1	3	361.467	2.071	20	30		FEEDHM
C#C[C@@H](CCC)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1	ZINC000791212739	682728755	/nfs/dbraw/zinc/72/87/55/682728755.db2.gz	JVGJBCYOEGVFQR-ZDUSSCGKSA-N	-1	3	354.447	2.434	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)c2ncccc2C)ccc1F	ZINC000791892886	682773608	/nfs/dbraw/zinc/77/36/08/682773608.db2.gz	GLGOPXKGJHWXCR-UHFFFAOYSA-N	-1	3	363.414	2.270	20	30		FEEDHM
CC[C@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2cccc(F)c2C#N)n[nH]1	ZINC000792784936	682840354	/nfs/dbraw/zinc/84/03/54/682840354.db2.gz	SRGMBWHEDROXGY-VHSXEESVSA-N	-1	3	351.407	2.368	20	30		FEEDHM
CC(=O)N1CCc2c(C#N)c([N-]C(=O)c3cncc(Cl)n3)sc2C1	ZINC000857678795	682903393	/nfs/dbraw/zinc/90/33/93/682903393.db2.gz	NUWOKCLFNLZPRX-UHFFFAOYSA-N	-1	3	361.814	2.220	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCC(F)(F)CC2)ccc1F	ZINC000794296814	682953320	/nfs/dbraw/zinc/95/33/20/682953320.db2.gz	UEKWZADBTIGTNA-UHFFFAOYSA-N	-1	3	362.373	2.161	20	30		FEEDHM
CC1(C)C(c2noc(C/N=C3/[N-]S(=O)(=O)c4ccccc43)n2)C1(C)C	ZINC000858846999	683006685	/nfs/dbraw/zinc/00/66/85/683006685.db2.gz	UVFQMRXOVBKCRQ-UHFFFAOYSA-N	-1	3	360.439	2.458	20	30		FEEDHM
C#CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(C(=O)OC)c(C)o1	ZINC000796096929	683127101	/nfs/dbraw/zinc/12/71/01/683127101.db2.gz	ISDPCMKOHJXNJE-HNNXBMFYSA-N	-1	3	361.419	2.288	20	30		FEEDHM
C#C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(C)C	ZINC000798473014	683355039	/nfs/dbraw/zinc/35/50/39/683355039.db2.gz	ZWNYLIPEZHPWPW-NSHDSACASA-N	-1	3	361.217	2.293	20	30		FEEDHM
CC(=NN[C@@H]1CCCS(=O)(=O)C1)c1cc(Br)ccc1[O-]	ZINC000863128380	683678559	/nfs/dbraw/zinc/67/85/59/683678559.db2.gz	MNJPLCXBZPBYDN-LLVKDONJSA-N	-1	3	361.261	2.046	20	30		FEEDHM
C=CCN(Cc1cccs1)C(=O)[C@H](C)N1Cc2nc(C)[n-]c(=O)c2C1	ZINC000931317062	684260748	/nfs/dbraw/zinc/26/07/48/684260748.db2.gz	LWMOQLIHAMVTDM-LBPRGKRZSA-N	-1	3	358.467	2.471	20	30		FEEDHM
C#CC1([N-]S(=O)(=O)c2cc(S(C)(=O)=O)sc2Cl)CCCC1	ZINC000882775495	687483818	/nfs/dbraw/zinc/48/38/18/687483818.db2.gz	HZBJHMLTKIJORZ-UHFFFAOYSA-N	-1	3	367.901	2.029	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCCSC[C@H]2C)ccc1F	ZINC000889912574	688849358	/nfs/dbraw/zinc/84/93/58/688849358.db2.gz	FZTSTIAELMGFAA-GFCCVEGCSA-N	-1	3	372.487	2.258	20	30		FEEDHM
C=CC[C@H]1CCN1C(=O)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F	ZINC000890558468	688936842	/nfs/dbraw/zinc/93/68/42/688936842.db2.gz	RWCATTUPDGDRBE-NSHDSACASA-N	-1	3	356.394	2.196	20	30		FEEDHM
O=C1[C@@H](NCc2cc(Cl)ccc2OC[C@@H]2CCCO2)CCCN1[O-]	ZINC000895166048	689670542	/nfs/dbraw/zinc/67/05/42/689670542.db2.gz	OQYLEHATIVGOBJ-GJZGRUSLSA-N	-1	3	354.834	2.368	20	30		FEEDHM
Cc1cc(NC(=O)CSCC(=O)N([O-])Cc2ccc(F)cc2)no1	ZINC000901375069	690641588	/nfs/dbraw/zinc/64/15/88/690641588.db2.gz	BJBSYNLLIIJWHN-UHFFFAOYSA-N	-1	3	353.375	2.212	20	30		FEEDHM
CC(=O)Nc1ccc(S(=O)(=O)[N-][C@@H](CC#N)C(F)(F)F)cc1Cl	ZINC000901773708	690692903	/nfs/dbraw/zinc/69/29/03/690692903.db2.gz	WDOUZWZATFJFNP-NSHDSACASA-N	-1	3	369.752	2.421	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)Nc1ccc(CC#N)cc1	ZINC000015029564	539610161	/nfs/dbraw/zinc/61/01/61/539610161.db2.gz	UNHJBLMSKDQQTG-LBPRGKRZSA-N	-1	3	361.398	2.197	20	30		FEEDHM
C=CCN(CC(F)(F)F)C(=O)CC[N-]S(=O)(=O)c1ccccc1F	ZINC000058272674	540837263	/nfs/dbraw/zinc/83/72/63/540837263.db2.gz	KSPSGEGVLMKDGV-UHFFFAOYSA-N	-1	3	368.352	2.071	20	30		FEEDHM
Cc1ncc(CNC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)c(=O)[n-]1	ZINC000541453568	541209955	/nfs/dbraw/zinc/20/99/55/541209955.db2.gz	AWAGHFLBYNDCOI-UHFFFAOYSA-N	-1	3	367.344	2.009	20	30		FEEDHM
N#Cc1cnn(-c2ccc(C(=O)Nc3nnc(-c4ccccn4)[n-]3)cc2)c1N	ZINC000066241023	541294735	/nfs/dbraw/zinc/29/47/35/541294735.db2.gz	VOKFQMGUELOXSX-UHFFFAOYSA-N	-1	3	371.364	2.143	20	30		FEEDHM
N#Cc1cnn(-c2ccc(C(=O)Nc3nc(-c4ccccn4)n[n-]3)cc2)c1N	ZINC000066241023	541294738	/nfs/dbraw/zinc/29/47/38/541294738.db2.gz	VOKFQMGUELOXSX-UHFFFAOYSA-N	-1	3	371.364	2.143	20	30		FEEDHM
N#Cc1cnn(-c2ccc(C(=O)Nc3n[n-]c(-c4ccccn4)n3)cc2)c1N	ZINC000066241023	541294741	/nfs/dbraw/zinc/29/47/41/541294741.db2.gz	VOKFQMGUELOXSX-UHFFFAOYSA-N	-1	3	371.364	2.143	20	30		FEEDHM
CSc1[n-]c(=O)c(C(=O)NC[C@@H](Cc2ccccc2)N(C)C)cc1C#N	ZINC000074344451	542071373	/nfs/dbraw/zinc/07/13/73/542071373.db2.gz	HJZQYNJHDFUYBB-OAHLLOKOSA-N	-1	3	370.478	2.283	20	30		FEEDHM
COc1ccc(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)c([O-])c1	ZINC000074681912	542112689	/nfs/dbraw/zinc/11/26/89/542112689.db2.gz	PNBVYDHFFITTPM-INIZCTEOSA-N	-1	3	351.406	2.251	20	30		FEEDHM
C=CCCCN(C)C(=O)c1cc(C2CC2)nc2c1c(=O)[n-]c(=O)n2CC	ZINC000076650497	542306163	/nfs/dbraw/zinc/30/61/63/542306163.db2.gz	PIJXZCDJPAYNPY-UHFFFAOYSA-N	-1	3	356.426	2.020	20	30		FEEDHM
N#Cc1ccc(C(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)cc1	ZINC000076920737	542329883	/nfs/dbraw/zinc/32/98/83/542329883.db2.gz	PVRDUKJCHRKVKT-UHFFFAOYSA-N	-1	3	359.382	2.390	20	30		FEEDHM
C=CCN(C)S(=O)(=O)c1ccc([N-]S(=O)(=O)CCC2CC2)cc1	ZINC000092263474	542852488	/nfs/dbraw/zinc/85/24/88/542852488.db2.gz	WELYHWIMMJFSPR-UHFFFAOYSA-N	-1	3	358.485	2.035	20	30		FEEDHM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]Cc1ccc(C#N)cc1F	ZINC000103912628	543118044	/nfs/dbraw/zinc/11/80/44/543118044.db2.gz	XNVVDDMJNLTQJV-UHFFFAOYSA-N	-1	3	365.342	2.093	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N(CCC#N)CC(C)(C)C	ZINC000104626429	543136124	/nfs/dbraw/zinc/13/61/24/543136124.db2.gz	WWRLRXMIKJSIMT-ZDUSSCGKSA-N	-1	3	369.462	2.281	20	30		FEEDHM
CSc1[n-]c(=O)c(C(=O)NC[C@H](C)N(C)Cc2ccccc2)cc1C#N	ZINC000111631478	543409523	/nfs/dbraw/zinc/40/95/23/543409523.db2.gz	ORIWJTOETRWOAA-ZDUSSCGKSA-N	-1	3	370.478	2.219	20	30		FEEDHM
N#Cc1ccc(CNC(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1Cl	ZINC000802297852	674176142	/nfs/dbraw/zinc/17/61/42/674176142.db2.gz	BWHOVNQEYMBNAI-UHFFFAOYSA-N	-1	3	358.711	2.348	20	30		FEEDHM
C=CCCS(=O)(=O)[N-][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O	ZINC000120997276	543687202	/nfs/dbraw/zinc/68/72/02/543687202.db2.gz	UGQIBIPFXPGLAV-CQSZACIVSA-N	-1	3	374.409	2.279	20	30		FEEDHM
C=CCCS(=O)(=O)[N-][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O	ZINC000120997408	543687239	/nfs/dbraw/zinc/68/72/39/543687239.db2.gz	UGQIBIPFXPGLAV-AWEZNQCLSA-N	-1	3	374.409	2.279	20	30		FEEDHM
C=CCCS(=O)(=O)[N-]c1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1	ZINC000120101421	543675275	/nfs/dbraw/zinc/67/52/75/543675275.db2.gz	AONVDXSWJKSMLH-ZIAGYGMSSA-N	-1	3	352.456	2.254	20	30		FEEDHM
CCS[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000123128682	543744349	/nfs/dbraw/zinc/74/43/49/543744349.db2.gz	BUFPYPSQZJUQLT-WCQYABFASA-N	-1	3	355.441	2.419	20	30		FEEDHM
C[C@H](CC[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)[S@@](C)=O	ZINC000124145185	543803420	/nfs/dbraw/zinc/80/34/20/543803420.db2.gz	LTJKIWQYIQUHMD-CLTRCRFRSA-N	-1	3	368.402	2.012	20	30		FEEDHM
COc1ccc(N(C)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c(OC)c1	ZINC000127695521	544008843	/nfs/dbraw/zinc/00/88/43/544008843.db2.gz	QAQZQYAXZURIKO-UHFFFAOYSA-N	-1	3	369.421	2.476	20	30		FEEDHM
COc1ccc(S(=O)(=O)[N-][C@@H](C#N)C2CCCCC2)c([N+](=O)[O-])c1	ZINC000128966781	544083375	/nfs/dbraw/zinc/08/33/75/544083375.db2.gz	RJDBDRJRPZUNQD-ZDUSSCGKSA-N	-1	3	353.400	2.354	20	30		FEEDHM
C=CCCOCC(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1	ZINC000139657491	544404183	/nfs/dbraw/zinc/40/41/83/544404183.db2.gz	JQQRZVIVWKEESX-UHFFFAOYSA-N	-1	3	366.361	2.058	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc2c(c1)NC(=O)CC2	ZINC000151033392	544498205	/nfs/dbraw/zinc/49/82/05/544498205.db2.gz	TWJVJQJEIQBKQM-UHFFFAOYSA-N	-1	3	364.405	2.319	20	30		FEEDHM
CCOC(=O)c1n[n-]c(C2CCN(c3nccc(C#N)c3Cl)CC2)n1	ZINC000553230246	674246754	/nfs/dbraw/zinc/24/67/54/674246754.db2.gz	SEXSMEDYRNTORB-UHFFFAOYSA-N	-1	3	360.805	2.285	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc(NC(N)=O)cc2)c(Cl)c1	ZINC000183454959	327818906	/nfs/dbraw/zinc/81/89/06/327818906.db2.gz	VRFWWKZDDNLIML-UHFFFAOYSA-N	-1	3	364.814	2.181	20	30		FEEDHM
CC[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)o1)N1CCc2ccccc2C1	ZINC000553772709	674285270	/nfs/dbraw/zinc/28/52/70/674285270.db2.gz	JRBQWGJRZAJXLN-INIZCTEOSA-N	-1	3	359.451	2.266	20	30		FEEDHM
Cc1ccc(C[C@@H](CO)[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)cc1	ZINC000188348995	328082195	/nfs/dbraw/zinc/08/21/95/328082195.db2.gz	PMZYINMEUBWRRR-HNNXBMFYSA-N	-1	3	364.854	2.402	20	30		FEEDHM
CN(C)[C@H](C[N-]S(=O)(=O)Cc1cc(C#N)ccc1F)c1ccco1	ZINC000120419665	326257243	/nfs/dbraw/zinc/25/72/43/326257243.db2.gz	SKLMBQSNJPLTRO-OAHLLOKOSA-N	-1	3	351.403	2.013	20	30		FEEDHM
CCc1noc(CC)c1CNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C	ZINC000123014988	326417504	/nfs/dbraw/zinc/41/75/04/326417504.db2.gz	WANJEORYXUWOIR-UHFFFAOYSA-N	-1	3	356.426	2.225	20	30		FEEDHM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C[C@@H]1[C@@H]2Cc3ccccc3[C@H]12	ZINC000127292409	326503794	/nfs/dbraw/zinc/50/37/94/326503794.db2.gz	PYKGUUOWBVHPQJ-JOQOYGCGSA-N	-1	3	369.402	2.331	20	30		FEEDHM
CC(C)(C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)N1CCCCC1	ZINC000156423822	326830800	/nfs/dbraw/zinc/83/08/00/326830800.db2.gz	XGHFYIYXTLQDLO-UHFFFAOYSA-N	-1	3	366.443	2.009	20	30		FEEDHM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H]1C[C@H]1c1cccc(F)c1	ZINC000156832874	326845437	/nfs/dbraw/zinc/84/54/37/326845437.db2.gz	IXYOROLRXFSVCQ-JSGCOSHPSA-N	-1	3	361.354	2.440	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCOc2cccc(F)c21	ZINC000161530375	327001875	/nfs/dbraw/zinc/00/18/75/327001875.db2.gz	YVZFGWKKLASDHP-UHFFFAOYSA-N	-1	3	355.369	2.361	20	30		FEEDHM
CN(C)S(=O)(=O)c1ccc(F)c([N-]C(=O)c2sccc2C#N)c1	ZINC000173142049	327237309	/nfs/dbraw/zinc/23/73/09/327237309.db2.gz	VDBRURFYROVBGT-UHFFFAOYSA-N	-1	3	353.400	2.261	20	30		FEEDHM
CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)[C@]12CCCO2	ZINC000274729688	329975018	/nfs/dbraw/zinc/97/50/18/329975018.db2.gz	GPYBQGLETPLINZ-ARFHVFGLSA-N	-1	3	370.858	2.217	20	30		FEEDHM
CN(C)C(=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)C1	ZINC000274851090	329986080	/nfs/dbraw/zinc/98/60/80/329986080.db2.gz	HKFXQCYBBFHBCP-STQMWFEESA-N	-1	3	369.874	2.137	20	30		FEEDHM
N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CCc1cn2ccccc2n1	ZINC000156314950	545617158	/nfs/dbraw/zinc/61/71/58/545617158.db2.gz	YGPPRLIWMVDXNR-UHFFFAOYSA-N	-1	3	360.826	2.380	20	30		FEEDHM
Cc1nc([C@@H]([N-]S(=O)(=O)c2ccc(F)cc2C#N)c2ccccc2)n[nH]1	ZINC000157142069	545706039	/nfs/dbraw/zinc/70/60/39/545706039.db2.gz	GBBMEAWUOUKSNB-INIZCTEOSA-N	-1	3	371.397	2.192	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@H](C#N)C1CCCCC1	ZINC000176612913	546467797	/nfs/dbraw/zinc/46/77/97/546467797.db2.gz	RMSVNQMSVNSPGP-SWLSCSKDSA-N	-1	3	367.446	2.081	20	30		FEEDHM
N#Cc1ccc(CS(=O)(=O)[N-][C@@H](c2nc[nH]n2)c2ccccc2)c(F)c1	ZINC000480697082	561214593	/nfs/dbraw/zinc/21/45/93/561214593.db2.gz	KLXNIHFSSTXRMP-MRXNPFEDSA-N	-1	3	371.397	2.024	20	30		FEEDHM
C[C@@](O)(C[N-]S(=O)(=O)Cc1ccc(C#N)cc1F)C1CCCCC1	ZINC000480851122	561218238	/nfs/dbraw/zinc/21/82/38/561218238.db2.gz	IGPJLYRLAVVSES-QGZVFWFLSA-N	-1	3	354.447	2.448	20	30		FEEDHM
CC(C)(C)CN(CCC#N)C(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1	ZINC000177659020	546662304	/nfs/dbraw/zinc/66/23/04/546662304.db2.gz	AWGALCADDPBSSK-LJQANCHMSA-N	-1	3	356.426	2.143	20	30		FEEDHM
C=C(C)CN(C)C(=O)c1sccc1S(=O)(=O)[N-]Cc1ccco1	ZINC000482114249	561248698	/nfs/dbraw/zinc/24/86/98/561248698.db2.gz	OKTXKGYURJOXNS-UHFFFAOYSA-N	-1	3	354.453	2.468	20	30		FEEDHM
C[C@H](NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccc(C#N)c1	ZINC000181971412	547415406	/nfs/dbraw/zinc/41/54/06/547415406.db2.gz	UPCUGKJUTXGOBN-ZDUSSCGKSA-N	-1	3	374.422	2.096	20	30		FEEDHM
N#Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccc(CO)c(F)c2)c1	ZINC000184864305	547889303	/nfs/dbraw/zinc/88/93/03/547889303.db2.gz	XHEKEFDKYVKUON-UHFFFAOYSA-N	-1	3	354.790	2.322	20	30		FEEDHM
COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@]1(C#N)CCC[C@H](C)C1	ZINC000186581804	548154517	/nfs/dbraw/zinc/15/45/17/548154517.db2.gz	LLXHGCCSOFQPRI-MGPLVRAMSA-N	-1	3	354.428	2.434	20	30		FEEDHM
C=CC[C@H](CO)[N-]S(=O)(=O)c1cc(Br)ccc1Cl	ZINC000186654560	548166305	/nfs/dbraw/zinc/16/63/05/548166305.db2.gz	QFHZPHHOAWYHGK-SECBINFHSA-N	-1	3	354.653	2.318	20	30		FEEDHM
CCC(C)(C)[N-]C(=S)C(C(=O)c1cnn(C)c1)[n+]1cc([O-])ccc1F	ZINC000186978165	548233427	/nfs/dbraw/zinc/23/34/27/548233427.db2.gz	KLBPMYTWWZAOLA-UHFFFAOYSA-O	-1	3	365.454	2.269	20	30		FEEDHM
CS(=O)(=O)[N-]c1cc(C(=O)N(CCC#N)Cc2ccco2)ccc1F	ZINC000263793485	549937983	/nfs/dbraw/zinc/93/79/83/549937983.db2.gz	KJASPHZEIUPDNV-UHFFFAOYSA-N	-1	3	365.386	2.346	20	30		FEEDHM
C#CCSCCNC(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1	ZINC000265891401	550014852	/nfs/dbraw/zinc/01/48/52/550014852.db2.gz	YVVHHEPHFFHMNN-UHFFFAOYSA-N	-1	3	361.467	2.119	20	30		FEEDHM
Cn1cc(C(=O)C(C(=S)[N-]C(C)(C)C)[n+]2cccc([O-])c2Cl)cn1	ZINC000266036068	550016112	/nfs/dbraw/zinc/01/61/12/550016112.db2.gz	SREPGRITRYBBRP-UHFFFAOYSA-O	-1	3	367.882	2.394	20	30		FEEDHM
CC#CCC[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1	ZINC000493410419	561455976	/nfs/dbraw/zinc/45/59/76/561455976.db2.gz	KPTMXNKAFBYFQW-CYBMUJFWSA-N	-1	3	357.859	2.447	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@](C)(C#N)C(C)(C)C)ccc1F	ZINC000274303200	550531794	/nfs/dbraw/zinc/53/17/94/550531794.db2.gz	GPRVJGOWBKPHEB-QGZVFWFLSA-N	-1	3	367.446	2.348	20	30		FEEDHM
COC(=O)c1cnccc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C	ZINC000278502893	550793035	/nfs/dbraw/zinc/79/30/35/550793035.db2.gz	CYGIWCQYJNDBQM-UHFFFAOYSA-N	-1	3	354.366	2.029	20	30		FEEDHM
C#C[C@H](NC(=O)C(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1)C(C)C	ZINC000281378132	551090048	/nfs/dbraw/zinc/09/00/48/551090048.db2.gz	ANQGGJCXNBMGDK-INIZCTEOSA-N	-1	3	366.421	2.124	20	30		FEEDHM
CC(C)CCN(CCC#N)C(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-]	ZINC000283125101	551315578	/nfs/dbraw/zinc/31/55/78/551315578.db2.gz	QYQDZVXONKVMFU-UHFFFAOYSA-N	-1	3	372.400	2.276	20	30		FEEDHM
CC(C)CCN(CCC#N)C(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O	ZINC000283125101	551315580	/nfs/dbraw/zinc/31/55/80/551315580.db2.gz	QYQDZVXONKVMFU-UHFFFAOYSA-N	-1	3	372.400	2.276	20	30		FEEDHM
CC[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)[C@@H](O)C(F)(F)F	ZINC000497932742	561511625	/nfs/dbraw/zinc/51/16/25/561511625.db2.gz	BQDORHZANOXDLL-MWLCHTKSSA-N	-1	3	356.753	2.192	20	30		FEEDHM
Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cc4c(c([N+](=O)[O-])c3)OCO4)nc1-2	ZINC000498001104	561513578	/nfs/dbraw/zinc/51/35/78/561513578.db2.gz	NWNZSJZTDFNVIZ-JTQLQIEISA-N	-1	3	365.305	2.393	20	30		FEEDHM
CC1([N-]C(=S)C(C(=O)c2ccc3c(c2)OCO3)[n+]2cccc([O-])c2)CC1	ZINC000283928245	551451835	/nfs/dbraw/zinc/45/18/35/551451835.db2.gz	DZLYIUGMRKDOHP-UHFFFAOYSA-O	-1	3	371.438	2.489	20	30		FEEDHM
CC(C)[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)c1nncn1C	ZINC000285271513	551729661	/nfs/dbraw/zinc/72/96/61/551729661.db2.gz	JOZLHMLXFBCUQZ-ZDUSSCGKSA-N	-1	3	353.835	2.016	20	30		FEEDHM
CC[C@H]([N-]S(=O)(=O)c1cccnc1C#N)c1ccc(OC)c(OC)c1	ZINC000285312216	551736114	/nfs/dbraw/zinc/73/61/14/551736114.db2.gz	MWYILRGLMMDJJW-ZDUSSCGKSA-N	-1	3	361.423	2.400	20	30		FEEDHM
C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cccnc1C(F)(F)F	ZINC000287484902	552010405	/nfs/dbraw/zinc/01/04/05/552010405.db2.gz	SZINIDIBHPLKOP-ZYHUDNBSSA-N	-1	3	350.362	2.360	20	30		FEEDHM
C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[N-]S(=O)(=O)c1ccc(C#N)o1	ZINC000288191057	552107486	/nfs/dbraw/zinc/10/74/86/552107486.db2.gz	PRFFMWYTULJOCR-RHSMWYFYSA-N	-1	3	359.451	2.340	20	30		FEEDHM
CC(C)[C@H]([N-]S(=O)(=O)Cc1ccc(C#N)cc1)C(=O)OC(C)(C)C	ZINC000288428058	552151778	/nfs/dbraw/zinc/15/17/78/552151778.db2.gz	SOCATFNNPYZQNV-HNNXBMFYSA-N	-1	3	352.456	2.344	20	30		FEEDHM
N#Cc1cc(C(=O)NCc2nnc(C(F)(F)F)[n-]2)cnc1C(F)(F)F	ZINC000501256562	561593423	/nfs/dbraw/zinc/59/34/23/561593423.db2.gz	HDXBGGDWKOMIOZ-UHFFFAOYSA-N	-1	3	364.209	2.039	20	30		FEEDHM
N#Cc1cc(C(=O)NCc2n[n-]c(C(F)(F)F)n2)cnc1C(F)(F)F	ZINC000501256562	561593424	/nfs/dbraw/zinc/59/34/24/561593424.db2.gz	HDXBGGDWKOMIOZ-UHFFFAOYSA-N	-1	3	364.209	2.039	20	30		FEEDHM
N#Cc1cc(C(=O)NCc2nc(C(F)(F)F)n[n-]2)cnc1C(F)(F)F	ZINC000501256562	561593425	/nfs/dbraw/zinc/59/34/25/561593425.db2.gz	HDXBGGDWKOMIOZ-UHFFFAOYSA-N	-1	3	364.209	2.039	20	30		FEEDHM
C=CCC(F)(F)C(=O)[N-][C@@H]1CCN(c2cc(OC)cc(OC)c2)C1=O	ZINC000293098062	552788478	/nfs/dbraw/zinc/78/84/78/552788478.db2.gz	BRCOXELTLMBBJB-CQSZACIVSA-N	-1	3	354.353	2.137	20	30		FEEDHM
C#CC[C@@H]([N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)c1ccccc1	ZINC000293178398	552796391	/nfs/dbraw/zinc/79/63/91/552796391.db2.gz	SKKOBWNIMZCYMM-GFCCVEGCSA-N	-1	3	357.357	2.482	20	30		FEEDHM
N#Cc1cc(F)ccc1CS(=O)(=O)[N-]C[C@@H]1COC2(CCCCC2)O1	ZINC000295217053	552970850	/nfs/dbraw/zinc/97/08/50/552970850.db2.gz	VIEZJHMLSMQJOJ-MRXNPFEDSA-N	-1	3	368.430	2.193	20	30		FEEDHM
C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCc1nnc(C(F)(F)F)[n-]1	ZINC000502116442	561612411	/nfs/dbraw/zinc/61/24/11/561612411.db2.gz	ULENTPMBEDLIEG-UHFFFAOYSA-N	-1	3	373.335	2.197	20	30		FEEDHM
C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCc1n[n-]c(C(F)(F)F)n1	ZINC000502116442	561612412	/nfs/dbraw/zinc/61/24/12/561612412.db2.gz	ULENTPMBEDLIEG-UHFFFAOYSA-N	-1	3	373.335	2.197	20	30		FEEDHM
C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCc1nc(C(F)(F)F)n[n-]1	ZINC000502116442	561612413	/nfs/dbraw/zinc/61/24/13/561612413.db2.gz	ULENTPMBEDLIEG-UHFFFAOYSA-N	-1	3	373.335	2.197	20	30		FEEDHM
C=CCCc1noc([C@@H](C)[N-]S(=O)(=O)c2ccc(NC(C)=O)cc2)n1	ZINC000297229125	553266493	/nfs/dbraw/zinc/26/64/93/553266493.db2.gz	HTJDIWMBXQQCQZ-LLVKDONJSA-N	-1	3	364.427	2.186	20	30		FEEDHM
N#Cc1nc(N)n(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)c1C#N	ZINC000504181997	561654276	/nfs/dbraw/zinc/65/42/76/561654276.db2.gz	KGJZADYLLNLANL-UHFFFAOYSA-N	-1	3	363.362	2.227	20	30		FEEDHM
Cc1noc([C@@H](NC(=O)c2cc(F)cc3nn[n-]c32)C2CCOCC2)n1	ZINC000328641749	553800914	/nfs/dbraw/zinc/80/09/14/553800914.db2.gz	DIWHFGINPZECHR-ZDUSSCGKSA-N	-1	3	360.349	2.261	20	30		FEEDHM
Cc1noc([C@@H](NC(=O)c2cc(F)cc3[n-]nnc32)C2CCOCC2)n1	ZINC000328641749	553800917	/nfs/dbraw/zinc/80/09/17/553800917.db2.gz	DIWHFGINPZECHR-ZDUSSCGKSA-N	-1	3	360.349	2.261	20	30		FEEDHM
Cc1noc([C@@H](NC(=O)c2cc(F)cc3n[n-]nc32)C2CCOCC2)n1	ZINC000328641749	553800920	/nfs/dbraw/zinc/80/09/20/553800920.db2.gz	DIWHFGINPZECHR-ZDUSSCGKSA-N	-1	3	360.349	2.261	20	30		FEEDHM
Cc1nc(C)c(CCC(=O)NC[C@@H]2CCC3(CCOCC3)[C@@H]2O)c(=O)[n-]1	ZINC000328773562	553820102	/nfs/dbraw/zinc/82/01/02/553820102.db2.gz	RUJCLXKGCOZXNR-WMLDXEAASA-N	-1	3	363.458	2.256	20	30		FEEDHM
COC1(C(=O)NCc2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)CCOCC1	ZINC000328795561	553823337	/nfs/dbraw/zinc/82/33/37/553823337.db2.gz	CJQNUTXEDJZZRE-KRWDZBQOSA-N	-1	3	361.398	2.438	20	30		FEEDHM
Cc1ccc([C@H](NC(=O)CN2CCN3C(=O)[N-]C(=O)[C@H]3C2)C2CC2)cc1	ZINC000329421481	553943826	/nfs/dbraw/zinc/94/38/26/553943826.db2.gz	HDIKLHJIMYVVRF-WBVHZDCISA-N	-1	3	356.426	2.479	20	30		FEEDHM
Cc1nnc([C@@H]2CCCN(C(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)C2)[nH]1	ZINC000329490008	553956602	/nfs/dbraw/zinc/95/66/02/553956602.db2.gz	UYUUPPNUBMHRMD-CQSZACIVSA-N	-1	3	368.441	2.041	20	30		FEEDHM
CN(C)C(=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)C1	ZINC000330767966	554168981	/nfs/dbraw/zinc/16/89/81/554168981.db2.gz	XGSJHANVLRQYMJ-STQMWFEESA-N	-1	3	369.874	2.137	20	30		FEEDHM
Cc1cc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)nn1-c1cccc(C#N)c1	ZINC000508606541	561767242	/nfs/dbraw/zinc/76/72/42/561767242.db2.gz	PSBKDLLICDASGF-UHFFFAOYSA-N	-1	3	370.376	2.485	20	30		FEEDHM
Cc1cc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)nn1-c1cccc(C#N)c1	ZINC000508606541	561767243	/nfs/dbraw/zinc/76/72/43/561767243.db2.gz	PSBKDLLICDASGF-UHFFFAOYSA-N	-1	3	370.376	2.485	20	30		FEEDHM
Cc1ccc([C@H]2OCCC[C@H]2[N-]S(=O)(=O)c2cccnc2C#N)cc1	ZINC000331447255	554266224	/nfs/dbraw/zinc/26/62/24/554266224.db2.gz	SZSXKHOLTKZNNZ-CRAIPNDOSA-N	-1	3	357.435	2.460	20	30		FEEDHM
CCN(C(=O)N=c1[n-]n(C)cc1C#N)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000613855164	554980361	/nfs/dbraw/zinc/98/03/61/554980361.db2.gz	GDUCHJAEDCBLBH-QGZVFWFLSA-N	-1	3	352.442	2.420	20	30		FEEDHM
N#Cc1cccnc1-n1cc([N-]S(=O)(=O)CCCC(F)(F)F)cn1	ZINC000364080008	555246031	/nfs/dbraw/zinc/24/60/31/555246031.db2.gz	COLAGRRDOSRBMQ-UHFFFAOYSA-N	-1	3	359.333	2.223	20	30		FEEDHM
Cc1ncc2c(n1)CC[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C2	ZINC000364381514	555303045	/nfs/dbraw/zinc/30/30/45/555303045.db2.gz	HAJGEZSPIUTZHU-ZDUSSCGKSA-N	-1	3	362.842	2.146	20	30		FEEDHM
N#Cc1ccc(CS(=O)(=O)[N-]Cc2nc(-c3cccc(F)c3)no2)cc1	ZINC000367442211	556050060	/nfs/dbraw/zinc/05/00/60/556050060.db2.gz	FIBQQJCFSQFIKY-UHFFFAOYSA-N	-1	3	372.381	2.367	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCC[C@H]1Cn1cccn1	ZINC000370862972	556994145	/nfs/dbraw/zinc/99/41/45/556994145.db2.gz	SWAVNSQKHFOIBG-INIZCTEOSA-N	-1	3	367.453	2.486	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@@H]2C2CC2)c(C(F)(F)F)c1	ZINC000371217861	557109871	/nfs/dbraw/zinc/10/98/71/557109871.db2.gz	YRRONQDJSWFLOX-TZMCWYRMSA-N	-1	3	360.357	2.423	20	30		FEEDHM
Cn1cc([C@H]([N-]S(=O)(=O)c2ccc(F)cc2C#N)c2ccccc2)cn1	ZINC000371753890	557283962	/nfs/dbraw/zinc/28/39/62/557283962.db2.gz	QXDOAKDIZVPDBE-GOSISDBHSA-N	-1	3	370.409	2.499	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]Cc2cccc(-c3nc[nH]n3)c2)c(Cl)c1	ZINC000376160599	558135154	/nfs/dbraw/zinc/13/51/54/558135154.db2.gz	DEVQXAFCPQHAKN-UHFFFAOYSA-N	-1	3	373.825	2.475	20	30		FEEDHM
C[C@H]1C[C@@H]([N-]S(=O)(=O)Cc2ccc(C#N)cc2)C(=O)N1c1ccccc1	ZINC000377383466	558330230	/nfs/dbraw/zinc/33/02/30/558330230.db2.gz	IPGJLFRQUCEEAQ-KBXCAEBGSA-N	-1	3	369.446	2.172	20	30		FEEDHM
C[C@H]1C[C@H]([N-]S(=O)(=O)Cc2ccc(C#N)cc2)C(=O)N1c1ccccc1	ZINC000377383468	558330237	/nfs/dbraw/zinc/33/02/37/558330237.db2.gz	IPGJLFRQUCEEAQ-KSSFIOAISA-N	-1	3	369.446	2.172	20	30		FEEDHM
N#CC1(NC(=O)/C=C/c2cncc([O-])c2)CCN(Cc2ccccc2)CC1	ZINC000378596686	558591011	/nfs/dbraw/zinc/59/10/11/558591011.db2.gz	JVUQVTALSVXNLS-VOTSOKGWSA-N	-1	3	362.433	2.475	20	30		FEEDHM
COC(=O)c1csc(S(=O)(=O)[N-][C@H](C)c2ccc(C#N)cc2)c1	ZINC000409458243	558694229	/nfs/dbraw/zinc/69/42/29/558694229.db2.gz	RYKIPZBDHUBPHG-SNVBAGLBSA-N	-1	3	350.421	2.446	20	30		FEEDHM
C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)c(C)o1	ZINC000416342072	559306745	/nfs/dbraw/zinc/30/67/45/559306745.db2.gz	OMWZGIZGAVXMEW-MRXNPFEDSA-N	-1	3	373.434	2.175	20	30		FEEDHM
N#Cc1ccc(Br)cc1S(=O)(=O)[N-][C@H]1CCC[C@H]1CCO	ZINC000416469703	559315547	/nfs/dbraw/zinc/31/55/47/559315547.db2.gz	DUCQREVXNPFABY-GWCFXTLKSA-N	-1	3	373.272	2.150	20	30		FEEDHM
CO[C@H]([C@@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1C#N)C1CC1	ZINC000416496902	559317768	/nfs/dbraw/zinc/31/77/68/559317768.db2.gz	RFMRJHKSECDWNW-YMTOWFKASA-N	-1	3	373.272	2.413	20	30		FEEDHM
C[C@@H](C#N)S(=O)(=O)[N-][C@H](CO)c1ccc(Cl)cc1C(F)(F)F	ZINC000416533110	559320211	/nfs/dbraw/zinc/32/02/11/559320211.db2.gz	WUXNXGCPUNAHLK-WRWORJQWSA-N	-1	3	356.753	2.224	20	30		FEEDHM
C=CCCCCNC(=O)C(=O)[N-]c1sc2c(c1C(=O)OC)CCOC2	ZINC000419695612	559454662	/nfs/dbraw/zinc/45/46/62/559454662.db2.gz	SRDVYPHWEYKAHL-UHFFFAOYSA-N	-1	3	366.439	2.018	20	30		FEEDHM
COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]Cc1ccc(C#N)s1	ZINC000420706699	559499450	/nfs/dbraw/zinc/49/94/50/559499450.db2.gz	LWTQKUDRWRBTNR-UHFFFAOYSA-N	-1	3	354.409	2.095	20	30		FEEDHM
CSC[C@@](C)(C#N)[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F	ZINC000421254184	559533772	/nfs/dbraw/zinc/53/37/72/559533772.db2.gz	ZBYUMLNGFDGHGL-GFCCVEGCSA-N	-1	3	354.375	2.351	20	30		FEEDHM
C=CCn1cc(C[N-]S(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)nn1	ZINC000425181289	559689850	/nfs/dbraw/zinc/68/98/50/559689850.db2.gz	WBYLEOPUVHRCLT-UHFFFAOYSA-N	-1	3	360.361	2.270	20	30		FEEDHM
N#Cc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CC[C@H](C#N)C1	ZINC000425190483	559690315	/nfs/dbraw/zinc/69/03/15/559690315.db2.gz	RGAJXMWXJNZFGA-JOYOIKCWSA-N	-1	3	354.229	2.291	20	30		FEEDHM
Cc1nc(NC(=O)CNC(=O)c2cccc([O-])c2)sc1SCC#N	ZINC000427101015	559747747	/nfs/dbraw/zinc/74/77/47/559747747.db2.gz	NSUXEZWULBTBMC-UHFFFAOYSA-N	-1	3	362.436	2.141	20	30		FEEDHM
CC(C)(C)c1ccc(C(=O)C[N-]S(=O)(=O)c2cccnc2C#N)cc1	ZINC000428370600	559773982	/nfs/dbraw/zinc/77/39/82/559773982.db2.gz	RGZJDPLDIJJVTP-UHFFFAOYSA-N	-1	3	357.435	2.412	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)c1cccnc1C#N)c1cccc(-n2cccn2)c1	ZINC000428366501	559774093	/nfs/dbraw/zinc/77/40/93/559774093.db2.gz	YBKVZOTTZOMVJC-CYBMUJFWSA-N	-1	3	353.407	2.178	20	30		FEEDHM
N#CCC1(C[N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1	ZINC000429981709	559810509	/nfs/dbraw/zinc/81/05/09/559810509.db2.gz	JDWUZACHZGCOAZ-UHFFFAOYSA-N	-1	3	374.216	2.329	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)c1ccccc1C#N)c1ncc(Br)cn1	ZINC000431625252	559842853	/nfs/dbraw/zinc/84/28/53/559842853.db2.gz	OEEATEFVTWAKHN-SECBINFHSA-N	-1	3	367.228	2.150	20	30		FEEDHM
C=C(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cnccc1C(F)(F)F	ZINC000435594243	559925698	/nfs/dbraw/zinc/92/56/98/559925698.db2.gz	AHKUDFNYNWCZQJ-MFKMUULPSA-N	-1	3	350.362	2.360	20	30		FEEDHM
COc1cc([C@@H](C#N)NC(=O)c2ccc(O)cc2[O-])cc(OC)c1OC	ZINC000436602138	559946392	/nfs/dbraw/zinc/94/63/92/559946392.db2.gz	DMRLQUBWGPODMZ-CYBMUJFWSA-N	-1	3	358.350	2.118	20	30		FEEDHM
C[C@H](C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1cccc(C#N)c1	ZINC000436634345	559947173	/nfs/dbraw/zinc/94/71/73/559947173.db2.gz	KCZLVHJFNOVOHS-HNNXBMFYSA-N	-1	3	363.417	2.352	20	30		FEEDHM
N#CCc1ccc(C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)cc1	ZINC000436761984	559951259	/nfs/dbraw/zinc/95/12/59/559951259.db2.gz	AQOAMGYLJFBTOE-UHFFFAOYSA-N	-1	3	363.417	2.493	20	30		FEEDHM
N#Cc1ccc(N2CCN(C(=O)c3ccccc3[O-])CC2)cc1[N+](=O)[O-]	ZINC000436944038	559957079	/nfs/dbraw/zinc/95/70/79/559957079.db2.gz	OHTTUYUNTZTXMQ-UHFFFAOYSA-N	-1	3	352.350	2.134	20	30		FEEDHM
N#Cc1cc(F)ccc1S(=O)(=O)[N-]Cc1ccncc1OCC(F)F	ZINC000443222063	560075169	/nfs/dbraw/zinc/07/51/69/560075169.db2.gz	DAASVYVBVKAHPX-UHFFFAOYSA-N	-1	3	371.340	2.215	20	30		FEEDHM
CCC1CCC([N-]S(=O)(=O)c2ccc(F)cc2C#N)(C(=O)OC)CC1	ZINC000443343881	560081329	/nfs/dbraw/zinc/08/13/29/560081329.db2.gz	HDBOHQHJZQXEPW-UHFFFAOYSA-N	-1	3	368.430	2.488	20	30		FEEDHM
O=S(=O)([N-][C@H](CO)CC(F)(F)F)c1ccc(C(F)(F)F)cc1F	ZINC000444202859	560105464	/nfs/dbraw/zinc/10/54/64/560105464.db2.gz	XSMITAMQUJMUJT-ZETCQYMHSA-N	-1	3	369.258	2.436	20	30		FEEDHM
C=CCC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)C(=O)OCC	ZINC000451996696	560344041	/nfs/dbraw/zinc/34/40/41/560344041.db2.gz	PWANWLLMEOZNTR-JTQLQIEISA-N	-1	3	362.429	2.141	20	30		FEEDHM
C=CCC[C@@H](CO)[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F	ZINC000452030621	560346549	/nfs/dbraw/zinc/34/65/49/560346549.db2.gz	OBTYZRAFSVJFPK-VIFPVBQESA-N	-1	3	357.325	2.330	20	30		FEEDHM
N#CC1(CS(=O)(=O)[N-]CC(=O)Nc2cccc(F)c2)CCCCC1	ZINC000460465770	560744144	/nfs/dbraw/zinc/74/41/44/560744144.db2.gz	BZQCJPFYKBSQJS-UHFFFAOYSA-N	-1	3	353.419	2.158	20	30		FEEDHM
COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)CCc1ccc(C#N)cc1	ZINC000474778058	561082521	/nfs/dbraw/zinc/08/25/21/561082521.db2.gz	UVFJWERDDRYJPY-UHFFFAOYSA-N	-1	3	355.350	2.031	20	30		FEEDHM
CC(C)c1nc(S(=O)(=O)[N-]C2(c3ccc(C#N)cc3)CCOCC2)c[nH]1	ZINC000528548489	562335510	/nfs/dbraw/zinc/33/55/10/562335510.db2.gz	AOXIWMYREUXABK-UHFFFAOYSA-N	-1	3	374.466	2.389	20	30		FEEDHM
CN1CCN(Cc2ccc([N-]S(=O)(=O)c3cccc(C#N)c3)cc2)CC1	ZINC000532737360	562487130	/nfs/dbraw/zinc/48/71/30/562487130.db2.gz	PLFSAEYUZSGQEB-UHFFFAOYSA-N	-1	3	370.478	2.106	20	30		FEEDHM
CC(C)CC(=O)NCCc1ccc(S(=O)(=O)[N-]C(C)(C)C#N)s1	ZINC000540912351	562596658	/nfs/dbraw/zinc/59/66/58/562596658.db2.gz	WOJIIKPWJXECTI-UHFFFAOYSA-N	-1	3	357.501	2.033	20	30		FEEDHM
Cc1cc(N(CCC#N)C(=O)CSCCc2nnn[n-]2)ccc1Cl	ZINC000603336941	568089430	/nfs/dbraw/zinc/08/94/30/568089430.db2.gz	DPUJQLNXIBTOOT-UHFFFAOYSA-N	-1	3	364.862	2.384	20	30		FEEDHM
Cc1cc(N(CCC#N)C(=O)CSCCc2nn[n-]n2)ccc1Cl	ZINC000603336941	568089431	/nfs/dbraw/zinc/08/94/31/568089431.db2.gz	DPUJQLNXIBTOOT-UHFFFAOYSA-N	-1	3	364.862	2.384	20	30		FEEDHM
CC1(C)[C@H](Oc2ccccc2)C[C@@H]1[N-]S(=O)(=O)c1cccnc1C#N	ZINC000569604113	568409690	/nfs/dbraw/zinc/40/96/90/568409690.db2.gz	YJSSIGGLGSLGAA-DLBZAZTESA-N	-1	3	357.435	2.478	20	30		FEEDHM
N#Cc1ncn(-c2ccccc2[N-]S(=O)(=O)CCc2ccccc2)n1	ZINC000570612863	568491110	/nfs/dbraw/zinc/49/11/10/568491110.db2.gz	YICYJZMDWZPWND-UHFFFAOYSA-N	-1	3	353.407	2.123	20	30		FEEDHM
N#CCOc1ccc(COC(=O)CCc2ccc(-c3nnn[n-]3)cc2)cc1	ZINC000737697550	598842872	/nfs/dbraw/zinc/84/28/72/598842872.db2.gz	JMIBOLFRQUGTME-UHFFFAOYSA-N	-1	3	363.377	2.445	20	30		FEEDHM
N#CCOc1ccc(COC(=O)CCc2ccc(-c3nn[n-]n3)cc2)cc1	ZINC000737697550	598842874	/nfs/dbraw/zinc/84/28/74/598842874.db2.gz	JMIBOLFRQUGTME-UHFFFAOYSA-N	-1	3	363.377	2.445	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2cc3c(c(Cl)c2)OCO3)cc1-c1nnn[n-]1	ZINC000737718212	598917878	/nfs/dbraw/zinc/91/78/78/598917878.db2.gz	FYCPHDVKTLMLGV-UHFFFAOYSA-N	-1	3	368.740	2.373	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2cc3c(c(Cl)c2)OCO3)cc1-c1nn[n-]n1	ZINC000737718212	598917880	/nfs/dbraw/zinc/91/78/80/598917880.db2.gz	FYCPHDVKTLMLGV-UHFFFAOYSA-N	-1	3	368.740	2.373	20	30		FEEDHM
N#Cc1cc(NC(=O)COc2ccc(F)cc2F)ccc1-c1nnn[n-]1	ZINC000737708544	598921108	/nfs/dbraw/zinc/92/11/08/598921108.db2.gz	HBNQWBSIRCNSNC-UHFFFAOYSA-N	-1	3	356.292	2.034	20	30		FEEDHM
N#Cc1cc(NC(=O)COc2ccc(F)cc2F)ccc1-c1nn[n-]n1	ZINC000737708544	598921110	/nfs/dbraw/zinc/92/11/10/598921110.db2.gz	HBNQWBSIRCNSNC-UHFFFAOYSA-N	-1	3	356.292	2.034	20	30		FEEDHM
C#CCOc1ccccc1CNC(=O)C=Cc1ccccc1-c1nnn[n-]1	ZINC000735388241	598927023	/nfs/dbraw/zinc/92/70/23/598927023.db2.gz	VBHAWPBZHOZLLY-VAWYXSNFSA-N	-1	3	359.389	2.208	20	30		FEEDHM
C#CCOc1ccccc1CNC(=O)C=Cc1ccccc1-c1nn[n-]n1	ZINC000735388241	598927025	/nfs/dbraw/zinc/92/70/25/598927025.db2.gz	VBHAWPBZHOZLLY-VAWYXSNFSA-N	-1	3	359.389	2.208	20	30		FEEDHM
CCOc1ccc([N+](=O)[O-])cc1C=NNCc1ccc(-c2nnn[n-]2)cc1	ZINC000821427024	607253305	/nfs/dbraw/zinc/25/33/05/607253305.db2.gz	MIUZOURCRUCTHG-UHFFFAOYSA-N	-1	3	367.369	2.297	20	30		FEEDHM
CCOc1ccc([N+](=O)[O-])cc1C=NNCc1ccc(-c2nn[n-]n2)cc1	ZINC000821427024	607253306	/nfs/dbraw/zinc/25/33/06/607253306.db2.gz	MIUZOURCRUCTHG-UHFFFAOYSA-N	-1	3	367.369	2.297	20	30		FEEDHM
COc1cc(C#N)ccc1OCCOc1ccc(-c2nnn[n-]2)cc1OC	ZINC000737035598	598938580	/nfs/dbraw/zinc/93/85/80/598938580.db2.gz	UXDUIBDUCNPWNC-UHFFFAOYSA-N	-1	3	367.365	2.213	20	30		FEEDHM
COc1cc(C#N)ccc1OCCOc1ccc(-c2nn[n-]n2)cc1OC	ZINC000737035598	598938581	/nfs/dbraw/zinc/93/85/81/598938581.db2.gz	UXDUIBDUCNPWNC-UHFFFAOYSA-N	-1	3	367.365	2.213	20	30		FEEDHM
COCCn1c(C)cc(C=NNCc2ccc(-c3nnn[n-]3)cc2)c1C	ZINC000821694534	607253448	/nfs/dbraw/zinc/25/34/48/607253448.db2.gz	REAQBVRZHADPDX-UHFFFAOYSA-N	-1	3	353.430	2.055	20	30		FEEDHM
COCCn1c(C)cc(C=NNCc2ccc(-c3nn[n-]n3)cc2)c1C	ZINC000821694534	607253449	/nfs/dbraw/zinc/25/34/49/607253449.db2.gz	REAQBVRZHADPDX-UHFFFAOYSA-N	-1	3	353.430	2.055	20	30		FEEDHM
COc1ccc(C=NNc2ccc(Br)cn2)cc1-c1nn[n-]n1	ZINC000737081759	599128524	/nfs/dbraw/zinc/12/85/24/599128524.db2.gz	BAVLVDFJZOZMNG-UHFFFAOYSA-N	-1	3	374.202	2.479	20	30		FEEDHM
COc1ccc(CC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1F	ZINC000737081872	599191669	/nfs/dbraw/zinc/19/16/69/599191669.db2.gz	DKIVJARTSVOXJW-UHFFFAOYSA-N	-1	3	352.329	2.067	20	30		FEEDHM
COc1ccc(CC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1F	ZINC000737081872	599191672	/nfs/dbraw/zinc/19/16/72/599191672.db2.gz	DKIVJARTSVOXJW-UHFFFAOYSA-N	-1	3	352.329	2.067	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])cc1-c1nnn[n-]1	ZINC000737718076	599192567	/nfs/dbraw/zinc/19/25/67/599192567.db2.gz	DWYPLLYWORGDMI-UHFFFAOYSA-N	-1	3	371.263	2.177	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])cc1-c1nn[n-]n1	ZINC000737718076	599192570	/nfs/dbraw/zinc/19/25/70/599192570.db2.gz	DWYPLLYWORGDMI-UHFFFAOYSA-N	-1	3	371.263	2.177	20	30		FEEDHM
C[C@H](Oc1cccc(F)c1)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1	ZINC000736184109	599193534	/nfs/dbraw/zinc/19/35/34/599193534.db2.gz	WAVYBOFHHYHEAO-JTQLQIEISA-N	-1	3	352.329	2.283	20	30		FEEDHM
C[C@H](Oc1cccc(F)c1)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1	ZINC000736184109	599193537	/nfs/dbraw/zinc/19/35/37/599193537.db2.gz	WAVYBOFHHYHEAO-JTQLQIEISA-N	-1	3	352.329	2.283	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)cc1-c1nnn[n-]1	ZINC000737717894	599195495	/nfs/dbraw/zinc/19/54/95/599195495.db2.gz	BYZPKVGLHVBTAO-UHFFFAOYSA-N	-1	3	353.273	2.038	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)cc1-c1nn[n-]n1	ZINC000737717894	599195498	/nfs/dbraw/zinc/19/54/98/599195498.db2.gz	BYZPKVGLHVBTAO-UHFFFAOYSA-N	-1	3	353.273	2.038	20	30		FEEDHM
N#Cc1ccc(NC(=O)COc2ccc3c(c2)CCC3)cc1-c1nnn[n-]1	ZINC000737715601	599197975	/nfs/dbraw/zinc/19/79/75/599197975.db2.gz	BZKRBSSNKXSNNJ-UHFFFAOYSA-N	-1	3	360.377	2.245	20	30		FEEDHM
N#Cc1ccc(NC(=O)COc2ccc3c(c2)CCC3)cc1-c1nn[n-]n1	ZINC000737715601	599197978	/nfs/dbraw/zinc/19/79/78/599197978.db2.gz	BZKRBSSNKXSNNJ-UHFFFAOYSA-N	-1	3	360.377	2.245	20	30		FEEDHM
COCCN(C(=O)c1sccc1-c1nnn[n-]1)c1ccc(C#N)cc1	ZINC000736987483	599203084	/nfs/dbraw/zinc/20/30/84/599203084.db2.gz	DBAQEAKLOORZOS-UHFFFAOYSA-N	-1	3	354.395	2.093	20	30		FEEDHM
COCCN(C(=O)c1sccc1-c1nn[n-]n1)c1ccc(C#N)cc1	ZINC000736987483	599203085	/nfs/dbraw/zinc/20/30/85/599203085.db2.gz	DBAQEAKLOORZOS-UHFFFAOYSA-N	-1	3	354.395	2.093	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H](C)Oc1cccnc1	ZINC000735418952	599247923	/nfs/dbraw/zinc/24/79/23/599247923.db2.gz	MQBBTPBDIMSXFM-AWEZNQCLSA-N	-1	3	364.409	2.244	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H](C)Oc1cccnc1	ZINC000735418952	599247925	/nfs/dbraw/zinc/24/79/25/599247925.db2.gz	MQBBTPBDIMSXFM-AWEZNQCLSA-N	-1	3	364.409	2.244	20	30		FEEDHM
C#CCCCNC(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1	ZINC000819692755	599251662	/nfs/dbraw/zinc/25/16/62/599251662.db2.gz	JUDAKLAEWNQAKX-UHFFFAOYSA-N	-1	3	367.438	2.449	20	30		FEEDHM
C#CCCCNC(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1	ZINC000819692755	599251665	/nfs/dbraw/zinc/25/16/65/599251665.db2.gz	JUDAKLAEWNQAKX-UHFFFAOYSA-N	-1	3	367.438	2.449	20	30		FEEDHM
C=CCCO[C@H](C)C(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1	ZINC000735416201	598237009	/nfs/dbraw/zinc/23/70/09/598237009.db2.gz	FELZUAHFXDTCSL-CQSZACIVSA-N	-1	3	371.441	2.218	20	30		FEEDHM
C=CCCO[C@H](C)C(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1	ZINC000735416201	598237010	/nfs/dbraw/zinc/23/70/10/598237010.db2.gz	FELZUAHFXDTCSL-CQSZACIVSA-N	-1	3	371.441	2.218	20	30		FEEDHM
C=CCNC(=O)[C@@H](C)Sc1nc(C)cc(C(F)(F)F)c1-c1nnn[n-]1	ZINC000735431629	598295232	/nfs/dbraw/zinc/29/52/32/598295232.db2.gz	HAXJCFXNCIDVSQ-MRVPVSSYSA-N	-1	3	372.376	2.372	20	30		FEEDHM
C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)c1ccc(C#N)cc1F	ZINC000736163349	598310842	/nfs/dbraw/zinc/31/08/42/598310842.db2.gz	IFAFFAULJDTIMK-LLVKDONJSA-N	-1	3	366.356	2.308	20	30		FEEDHM
CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1ccc(C#N)cc1F	ZINC000736817775	598328525	/nfs/dbraw/zinc/32/85/25/598328525.db2.gz	JQOIWRNCQCBSPZ-UHFFFAOYSA-N	-1	3	365.372	2.219	20	30		FEEDHM
CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1ccc(C#N)cc1F	ZINC000736817775	598328526	/nfs/dbraw/zinc/32/85/26/598328526.db2.gz	JQOIWRNCQCBSPZ-UHFFFAOYSA-N	-1	3	365.372	2.219	20	30		FEEDHM
Cc1nc(SCC(=O)N[C@H](C#N)CC(C)C)c(-c2nnn[n-]2)c(C)c1C	ZINC000737482284	598334154	/nfs/dbraw/zinc/33/41/54/598334154.db2.gz	GXOOQJIGKQBYOY-ZDUSSCGKSA-N	-1	3	373.486	2.334	20	30		FEEDHM
Cc1nc(SCC(=O)N[C@H](C#N)CC(C)C)c(-c2nn[n-]n2)c(C)c1C	ZINC000737482284	598334157	/nfs/dbraw/zinc/33/41/57/598334157.db2.gz	GXOOQJIGKQBYOY-ZDUSSCGKSA-N	-1	3	373.486	2.334	20	30		FEEDHM
CC(=N[N-]S(=O)(=O)Cc1ccccc1)c1cnnn1-c1ccccc1	ZINC000807966365	674436236	/nfs/dbraw/zinc/43/62/36/674436236.db2.gz	ITOWSUZRQRFTJD-UHFFFAOYSA-N	-1	3	355.423	2.111	20	30		FEEDHM
N#C[C@@H](NC(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1)C1CC1	ZINC000737673703	598536953	/nfs/dbraw/zinc/53/69/53/598536953.db2.gz	CLIBBABPDSVUAL-GOSISDBHSA-N	-1	3	374.404	2.478	20	30		FEEDHM
N#C[C@@H](NC(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1)C1CC1	ZINC000737673703	598536955	/nfs/dbraw/zinc/53/69/55/598536955.db2.gz	CLIBBABPDSVUAL-GOSISDBHSA-N	-1	3	374.404	2.478	20	30		FEEDHM
N#Cc1ccc(N2CCC[C@@H]2C(=O)NCc2cccc(-c3nnn[n-]3)c2)cc1	ZINC000737719246	598577836	/nfs/dbraw/zinc/57/78/36/598577836.db2.gz	RVFWUFNQCVARJQ-GOSISDBHSA-N	-1	3	373.420	2.024	20	30		FEEDHM
N#Cc1ccc(N2CCC[C@@H]2C(=O)NCc2cccc(-c3nn[n-]n3)c2)cc1	ZINC000737719246	598577837	/nfs/dbraw/zinc/57/78/37/598577837.db2.gz	RVFWUFNQCVARJQ-GOSISDBHSA-N	-1	3	373.420	2.024	20	30		FEEDHM
N#Cc1cccc(C(=O)COC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1	ZINC000826386506	607362540	/nfs/dbraw/zinc/36/25/40/607362540.db2.gz	HVNVPZWFVKYOHO-CMDGGOBGSA-N	-1	3	359.345	2.178	20	30		FEEDHM
N#Cc1cccc(C(=O)COC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1	ZINC000826386506	607362542	/nfs/dbraw/zinc/36/25/42/607362542.db2.gz	HVNVPZWFVKYOHO-CMDGGOBGSA-N	-1	3	359.345	2.178	20	30		FEEDHM
COCCN(CCC#N)C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1	ZINC000736994383	598645884	/nfs/dbraw/zinc/64/58/84/598645884.db2.gz	GYEXYIIMHJQHEL-UHFFFAOYSA-N	-1	3	365.850	2.079	20	30		FEEDHM
COCCN(CCC#N)C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1	ZINC000736994383	598645885	/nfs/dbraw/zinc/64/58/85/598645885.db2.gz	GYEXYIIMHJQHEL-UHFFFAOYSA-N	-1	3	365.850	2.079	20	30		FEEDHM
N#C[C@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1	ZINC000737675458	598665256	/nfs/dbraw/zinc/66/52/56/598665256.db2.gz	PFCYHBHOWJNXBP-HNNXBMFYSA-N	-1	3	368.397	2.479	20	30		FEEDHM
N#C[C@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1	ZINC000737675458	598665258	/nfs/dbraw/zinc/66/52/58/598665258.db2.gz	PFCYHBHOWJNXBP-HNNXBMFYSA-N	-1	3	368.397	2.479	20	30		FEEDHM
C[C@@H](C#N)CNC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1	ZINC000735506370	598691427	/nfs/dbraw/zinc/69/14/27/598691427.db2.gz	WKNAGRSMNJDHHD-ZDUSSCGKSA-N	-1	3	362.393	2.335	20	30		FEEDHM
C[C@@H](C#N)CNC(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1	ZINC000735506370	598691429	/nfs/dbraw/zinc/69/14/29/598691429.db2.gz	WKNAGRSMNJDHHD-ZDUSSCGKSA-N	-1	3	362.393	2.335	20	30		FEEDHM
C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCc1ccc(F)cc1C#N	ZINC000736167325	598704157	/nfs/dbraw/zinc/70/41/57/598704157.db2.gz	DKRKOKCRLUXTRZ-LLVKDONJSA-N	-1	3	367.340	2.388	20	30		FEEDHM
C#CCCS(=O)(=O)[N-]C[C@](O)(c1ccc(Cl)cc1)C(F)(F)F	ZINC000808295690	674450558	/nfs/dbraw/zinc/45/05/58/674450558.db2.gz	RTVOMBVLVGZNQR-LBPRGKRZSA-N	-1	3	355.765	2.033	20	30		FEEDHM
CC(C)CCNC(=S)NN=C1CCCc2cc(-c3nnn[n-]3)ccc21	ZINC000820076133	599333422	/nfs/dbraw/zinc/33/34/22/599333422.db2.gz	CELPUSWGVLXMAZ-UHFFFAOYSA-N	-1	3	357.487	2.417	20	30		FEEDHM
CC(C)CCNC(=S)NN=C1CCCc2cc(-c3nn[n-]n3)ccc21	ZINC000820076133	599333424	/nfs/dbraw/zinc/33/34/24/599333424.db2.gz	CELPUSWGVLXMAZ-UHFFFAOYSA-N	-1	3	357.487	2.417	20	30		FEEDHM
C=CCOc1ccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cc1	ZINC000819758648	599370875	/nfs/dbraw/zinc/37/08/75/599370875.db2.gz	DAAMGQFUKHEMDU-UHFFFAOYSA-N	-1	3	358.379	2.199	20	30		FEEDHM
C=CCOc1ccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cc1	ZINC000819758648	599370879	/nfs/dbraw/zinc/37/08/79/599370879.db2.gz	DAAMGQFUKHEMDU-UHFFFAOYSA-N	-1	3	358.379	2.199	20	30		FEEDHM
Cc1cc(-c2nn[n-]n2)cc(C)c1OCC(=O)NCc1cccc(C#N)c1	ZINC000822130257	599389556	/nfs/dbraw/zinc/38/95/56/599389556.db2.gz	SAKVBAOMKIELQF-UHFFFAOYSA-N	-1	3	362.393	2.050	20	30		FEEDHM
N#Cc1cccc(Cl)c1N1CCN(c2ncccc2-c2nnn[n-]2)CC1	ZINC000822837375	599467960	/nfs/dbraw/zinc/46/79/60/599467960.db2.gz	LQVKUSLQSJNEHQ-UHFFFAOYSA-N	-1	3	366.816	2.113	20	30		FEEDHM
N#Cc1cccc(Cl)c1N1CCN(c2ncccc2-c2nn[n-]n2)CC1	ZINC000822837375	599467961	/nfs/dbraw/zinc/46/79/61/599467961.db2.gz	LQVKUSLQSJNEHQ-UHFFFAOYSA-N	-1	3	366.816	2.113	20	30		FEEDHM
C[C@H](OC(=O)C1(C#N)CCCCC1)C(=O)Nc1cccc(-c2nnn[n-]2)c1	ZINC000820486394	599658699	/nfs/dbraw/zinc/65/86/99/599658699.db2.gz	BBWFNBGRNPLGPH-LBPRGKRZSA-N	-1	3	368.397	2.211	20	30		FEEDHM
C[C@H](OC(=O)C1(C#N)CCCCC1)C(=O)Nc1cccc(-c2nn[n-]n2)c1	ZINC000820486394	599658700	/nfs/dbraw/zinc/65/87/00/599658700.db2.gz	BBWFNBGRNPLGPH-LBPRGKRZSA-N	-1	3	368.397	2.211	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(NC=O)cc1	ZINC000819745538	599698105	/nfs/dbraw/zinc/69/81/05/599698105.db2.gz	IEDNUIFJLIUKPZ-UHFFFAOYSA-N	-1	3	362.393	2.263	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(NC=O)cc1	ZINC000819745538	599698106	/nfs/dbraw/zinc/69/81/06/599698106.db2.gz	IEDNUIFJLIUKPZ-UHFFFAOYSA-N	-1	3	362.393	2.263	20	30		FEEDHM
N#CC(C(=O)CCSCC(=O)[O-])C(=O)Nc1ccc(F)c(Cl)c1	ZINC000739072943	599798727	/nfs/dbraw/zinc/79/87/27/599798727.db2.gz	ASBMFPPSWLRGCO-SECBINFHSA-N	-1	3	358.778	2.334	20	30		FEEDHM
Cn1cc(C([O-])=C(C#N)C(=O)Nc2ccc(SC(F)F)cc2)nn1	ZINC000808978906	674476820	/nfs/dbraw/zinc/47/68/20/674476820.db2.gz	CKORAVBGHHCUHT-SNVBAGLBSA-N	-1	3	351.338	2.091	20	30		FEEDHM
COCCN(CCC#N)C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1	ZINC000821689366	607430293	/nfs/dbraw/zinc/43/02/93/607430293.db2.gz	XOHIITIIMLODMP-UHFFFAOYSA-N	-1	3	373.417	2.048	20	30		FEEDHM
COCCN(CCC#N)C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1	ZINC000821689366	607430294	/nfs/dbraw/zinc/43/02/94/607430294.db2.gz	XOHIITIIMLODMP-UHFFFAOYSA-N	-1	3	373.417	2.048	20	30		FEEDHM
CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ncc(C#N)cc1Cl	ZINC000821613592	607452455	/nfs/dbraw/zinc/45/24/55/607452455.db2.gz	UBXHORVOEYLAEK-UHFFFAOYSA-N	-1	3	353.773	2.059	20	30		FEEDHM
CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ncc(C#N)cc1Cl	ZINC000821613592	607452457	/nfs/dbraw/zinc/45/24/57/607452457.db2.gz	UBXHORVOEYLAEK-UHFFFAOYSA-N	-1	3	353.773	2.059	20	30		FEEDHM
N#Cc1ccc(C=C2N=C(c3ccc(-c4nnn[n-]4)cc3)OC2=O)c(F)c1	ZINC000822826068	607455438	/nfs/dbraw/zinc/45/54/38/607455438.db2.gz	TZVIWQDORYVVJI-OVCLIPMQSA-N	-1	3	360.308	2.222	20	30		FEEDHM
N#Cc1ccc(C=C2N=C(c3ccc(-c4nn[n-]n4)cc3)OC2=O)c(F)c1	ZINC000822826068	607455439	/nfs/dbraw/zinc/45/54/39/607455439.db2.gz	TZVIWQDORYVVJI-OVCLIPMQSA-N	-1	3	360.308	2.222	20	30		FEEDHM
C#CCOc1ccc(Br)cc1CN[C@@H]1CCN(C(=O)[O-])C1	ZINC000738468255	602879351	/nfs/dbraw/zinc/87/93/51/602879351.db2.gz	YPBMPCAHZHDTNB-CYBMUJFWSA-N	-1	3	353.216	2.303	20	30		FEEDHM
CC(C)[C@@](C)(CNC(=O)[O-])NCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000738773717	603080516	/nfs/dbraw/zinc/08/05/16/603080516.db2.gz	VBLJGDCXPMYONS-MRXNPFEDSA-N	-1	3	352.822	2.422	20	30		FEEDHM
C[C@@H]1CN(CC(=O)C(C#N)c2nc3ccccc3s2)CCN1C(=O)[O-]	ZINC000739175246	603361875	/nfs/dbraw/zinc/36/18/75/603361875.db2.gz	KCIRFMRUMISDLH-VXGBXAGGSA-N	-1	3	358.423	2.157	20	30		FEEDHM
Cc1nnc(-c2cccc(C#N)c2)n1CN1CCC[C@H]1CN(C)C(=O)[O-]	ZINC000830875497	603612597	/nfs/dbraw/zinc/61/25/97/603612597.db2.gz	BXMAJXIVFRUJGU-INIZCTEOSA-N	-1	3	354.414	2.157	20	30		FEEDHM
C=C(C)CN1CCC(NC(=O)N2CCC(CN(CC)C(=O)[O-])CC2)CC1	ZINC000823481096	604116680	/nfs/dbraw/zinc/11/66/80/604116680.db2.gz	YBGPEXZATCQEHR-UHFFFAOYSA-N	-1	3	366.506	2.448	20	30		FEEDHM
Cc1cc(C#N)ccc1C(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1	ZINC000826257233	607678924	/nfs/dbraw/zinc/67/89/24/607678924.db2.gz	UDDVXFYQKLEQJA-UHFFFAOYSA-N	-1	3	373.420	2.009	20	30		FEEDHM
Cc1cc(C#N)ccc1C(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1	ZINC000826257233	607678927	/nfs/dbraw/zinc/67/89/27/607678927.db2.gz	UDDVXFYQKLEQJA-UHFFFAOYSA-N	-1	3	373.420	2.009	20	30		FEEDHM
C#CCN1CCC(C(=O)N[C@@H](C(=O)[O-])c2ccc3ccccc3c2)CC1	ZINC000833364574	605302682	/nfs/dbraw/zinc/30/26/82/605302682.db2.gz	ORGQSTJTVLEAIK-LJQANCHMSA-N	-1	3	350.418	2.427	20	30		FEEDHM
S=C1N=NC(c2ccccc2)N1N=Cc1cc(-c2nnn[n-]2)cs1	ZINC000823738632	606205264	/nfs/dbraw/zinc/20/52/64/606205264.db2.gz	XAYPZTNQYSFWPT-UHFFFAOYSA-N	-1	3	354.424	2.358	20	30		FEEDHM
S=C1N=NC(c2ccccc2)N1N=Cc1cc(-c2nn[n-]n2)cs1	ZINC000823738632	606205266	/nfs/dbraw/zinc/20/52/66/606205266.db2.gz	XAYPZTNQYSFWPT-UHFFFAOYSA-N	-1	3	354.424	2.358	20	30		FEEDHM
C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1	ZINC000820534705	606264461	/nfs/dbraw/zinc/26/44/61/606264461.db2.gz	NEVGMADVLAYFEK-SNVBAGLBSA-N	-1	3	352.329	2.283	20	30		FEEDHM
C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1	ZINC000820534705	606264463	/nfs/dbraw/zinc/26/44/63/606264463.db2.gz	NEVGMADVLAYFEK-SNVBAGLBSA-N	-1	3	352.329	2.283	20	30		FEEDHM
C=CCCCC(=O)N1CCC(C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1	ZINC000819734534	606266319	/nfs/dbraw/zinc/26/63/19/606266319.db2.gz	QCINLWHYUWHYOO-UHFFFAOYSA-N	-1	3	368.441	2.400	20	30		FEEDHM
C=CCCCC(=O)N1CCC(C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1	ZINC000819734534	606266321	/nfs/dbraw/zinc/26/63/21/606266321.db2.gz	QCINLWHYUWHYOO-UHFFFAOYSA-N	-1	3	368.441	2.400	20	30		FEEDHM
N#Cc1ccc(S[C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)nc1	ZINC000822833558	606311176	/nfs/dbraw/zinc/31/11/76/606311176.db2.gz	RTUBKHPYJUQHTR-LLVKDONJSA-N	-1	3	369.435	2.092	20	30		FEEDHM
N#Cc1ccc(S[C@@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)nc1	ZINC000822833558	606311178	/nfs/dbraw/zinc/31/11/78/606311178.db2.gz	RTUBKHPYJUQHTR-LLVKDONJSA-N	-1	3	369.435	2.092	20	30		FEEDHM
N#Cc1cccc(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)cc2Cl)c1	ZINC000822837002	606378718	/nfs/dbraw/zinc/37/87/18/606378718.db2.gz	DRFZQWVBSMOESE-UHFFFAOYSA-N	-1	3	361.770	2.159	20	30		FEEDHM
N#Cc1cccc(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)cc2Cl)c1	ZINC000822837002	606378720	/nfs/dbraw/zinc/37/87/20/606378720.db2.gz	DRFZQWVBSMOESE-UHFFFAOYSA-N	-1	3	361.770	2.159	20	30		FEEDHM
C#CCOc1ccc(F)cc1NC(=O)Cc1cccc(-c2nnn[n-]2)c1	ZINC000819710201	606572605	/nfs/dbraw/zinc/57/26/05/606572605.db2.gz	ZEELVDFAQDVXQK-UHFFFAOYSA-N	-1	3	351.341	2.199	20	30		FEEDHM
C#CCOc1ccc(F)cc1NC(=O)Cc1cccc(-c2nn[n-]n2)c1	ZINC000819710201	606572607	/nfs/dbraw/zinc/57/26/07/606572607.db2.gz	ZEELVDFAQDVXQK-UHFFFAOYSA-N	-1	3	351.341	2.199	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1C[C@@H](OC)C1(C)C	ZINC000819744073	606616442	/nfs/dbraw/zinc/61/64/42/606616442.db2.gz	VIOLAWCNEITKNH-JKSUJKDBSA-N	-1	3	370.457	2.378	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1C[C@@H](OC)C1(C)C	ZINC000819744073	606616444	/nfs/dbraw/zinc/61/64/44/606616444.db2.gz	VIOLAWCNEITKNH-JKSUJKDBSA-N	-1	3	370.457	2.378	20	30		FEEDHM
C[C@H](CC#N)N(C)CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2	ZINC000820220943	606660442	/nfs/dbraw/zinc/66/04/42/606660442.db2.gz	ZYRGQXKIWXQMNZ-LLVKDONJSA-N	-1	3	373.486	2.370	20	30		FEEDHM
C[C@H](CC#N)N(C)CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2	ZINC000820220943	606660443	/nfs/dbraw/zinc/66/04/43/606660443.db2.gz	ZYRGQXKIWXQMNZ-LLVKDONJSA-N	-1	3	373.486	2.370	20	30		FEEDHM
Cc1cc(C(N)=NOCCCOc2cccc(-c3nnn[n-]3)c2)ccc1F	ZINC000822191601	606838186	/nfs/dbraw/zinc/83/81/86/606838186.db2.gz	LHSBIOSCMZRFQU-UHFFFAOYSA-N	-1	3	370.388	2.420	20	30		FEEDHM
Cc1cc(C(N)=NOCCCOc2cccc(-c3nn[n-]n3)c2)ccc1F	ZINC000822191601	606838189	/nfs/dbraw/zinc/83/81/89/606838189.db2.gz	LHSBIOSCMZRFQU-UHFFFAOYSA-N	-1	3	370.388	2.420	20	30		FEEDHM
C=CCn1c(SC[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)nnc1C1CC1	ZINC000819765044	606847123	/nfs/dbraw/zinc/84/71/23/606847123.db2.gz	MLQLEWONWUVUNE-CQSZACIVSA-N	-1	3	369.454	2.347	20	30		FEEDHM
C=CCn1c(SC[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)nnc1C1CC1	ZINC000819765044	606847124	/nfs/dbraw/zinc/84/71/24/606847124.db2.gz	MLQLEWONWUVUNE-CQSZACIVSA-N	-1	3	369.454	2.347	20	30		FEEDHM
COC(=O)c1ccc(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)cc1	ZINC000821669050	607122371	/nfs/dbraw/zinc/12/23/71/607122371.db2.gz	WDBJXORMURDLHU-BQYQJAHWSA-N	-1	3	374.360	2.197	20	30		FEEDHM
COC(=O)c1ccc(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)cc1	ZINC000821669050	607122372	/nfs/dbraw/zinc/12/23/72/607122372.db2.gz	WDBJXORMURDLHU-BQYQJAHWSA-N	-1	3	374.360	2.197	20	30		FEEDHM
COc1cc(C#N)ccc1OCCOc1ccc(-c2nnn[n-]2)cc1F	ZINC000821702915	607136841	/nfs/dbraw/zinc/13/68/41/607136841.db2.gz	GVDBZMQYVZSROE-UHFFFAOYSA-N	-1	3	355.329	2.344	20	30		FEEDHM
COc1cc(C#N)ccc1OCCOc1ccc(-c2nn[n-]n2)cc1F	ZINC000821702915	607136842	/nfs/dbraw/zinc/13/68/42/607136842.db2.gz	GVDBZMQYVZSROE-UHFFFAOYSA-N	-1	3	355.329	2.344	20	30		FEEDHM
CCn1nccc1C=CC(=O)c1cnn(-c2ccc(-c3nn[n-]n3)cc2)c1C	ZINC000825806935	607807789	/nfs/dbraw/zinc/80/77/89/607807789.db2.gz	KMWWXMHDHLXHTB-CMDGGOBGSA-N	-1	3	374.408	2.473	20	30		FEEDHM
N#Cc1ccc(-c2ccn(C[C@@H](O)c3ccc(-c4nnn[n-]4)cc3)n2)cc1	ZINC000826384391	607868635	/nfs/dbraw/zinc/86/86/35/607868635.db2.gz	SWGJYUOHVQXQOF-GOSISDBHSA-N	-1	3	357.377	2.335	20	30		FEEDHM
N#Cc1ccc(-c2ccn(C[C@@H](O)c3ccc(-c4nn[n-]n4)cc3)n2)cc1	ZINC000826384391	607868636	/nfs/dbraw/zinc/86/86/36/607868636.db2.gz	SWGJYUOHVQXQOF-GOSISDBHSA-N	-1	3	357.377	2.335	20	30		FEEDHM
N#CCOc1cccc(CC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c1	ZINC000826382048	608025753	/nfs/dbraw/zinc/02/57/53/608025753.db2.gz	MIBIBKYXETUIOW-UHFFFAOYSA-N	-1	3	352.329	2.089	20	30		FEEDHM
N#CCOc1cccc(CC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c1	ZINC000826382048	608025754	/nfs/dbraw/zinc/02/57/54/608025754.db2.gz	MIBIBKYXETUIOW-UHFFFAOYSA-N	-1	3	352.329	2.089	20	30		FEEDHM
N#CCOc1cccc(CC(=O)OCc2ccc(-c3nnn[n-]3)cc2F)c1	ZINC000826382105	608030485	/nfs/dbraw/zinc/03/04/85/608030485.db2.gz	OQGRBRPSNDZVFX-UHFFFAOYSA-N	-1	3	367.340	2.194	20	30		FEEDHM
N#CCOc1cccc(CC(=O)OCc2ccc(-c3nn[n-]n3)cc2F)c1	ZINC000826382105	608030486	/nfs/dbraw/zinc/03/04/86/608030486.db2.gz	OQGRBRPSNDZVFX-UHFFFAOYSA-N	-1	3	367.340	2.194	20	30		FEEDHM
C#Cc1cccc(NC(=O)N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)c1	ZINC000823861265	608072235	/nfs/dbraw/zinc/07/22/35/608072235.db2.gz	BTPZWJZPBYESFM-SFHVURJKSA-N	-1	3	374.404	2.453	20	30		FEEDHM
C#Cc1cccc(NC(=O)N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)c1	ZINC000823861265	608072236	/nfs/dbraw/zinc/07/22/36/608072236.db2.gz	BTPZWJZPBYESFM-SFHVURJKSA-N	-1	3	374.404	2.453	20	30		FEEDHM
C#CCOCCNC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1	ZINC000823856304	608133583	/nfs/dbraw/zinc/13/35/83/608133583.db2.gz	ORQTYRVSQYRLCD-UHFFFAOYSA-N	-1	3	363.377	2.039	20	30		FEEDHM
C#CCOCCNC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1	ZINC000823856304	608133584	/nfs/dbraw/zinc/13/35/84/608133584.db2.gz	ORQTYRVSQYRLCD-UHFFFAOYSA-N	-1	3	363.377	2.039	20	30		FEEDHM
CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)Cc1ccc(C#N)cc1	ZINC000825793533	608179483	/nfs/dbraw/zinc/17/94/83/608179483.db2.gz	WGCFESXOMZFPEO-UHFFFAOYSA-N	-1	3	372.392	2.289	20	30		FEEDHM
CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)Cc1ccc(C#N)cc1	ZINC000825793533	608179485	/nfs/dbraw/zinc/17/94/85/608179485.db2.gz	WGCFESXOMZFPEO-UHFFFAOYSA-N	-1	3	372.392	2.289	20	30		FEEDHM
CCN(CCC#N)C(=O)c1cc(C2CC2)nc(SC)c1-c1nnn[n-]1	ZINC000825419196	608195007	/nfs/dbraw/zinc/19/50/07/608195007.db2.gz	KMNJXNXXGPWDCU-UHFFFAOYSA-N	-1	3	357.443	2.237	20	30		FEEDHM
N#C[C@@H](COC(=O)Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccs1	ZINC000826380280	608276199	/nfs/dbraw/zinc/27/61/99/608276199.db2.gz	UDEYALUTVSDDTK-ZDUSSCGKSA-N	-1	3	353.407	2.396	20	30		FEEDHM
N#C[C@@H](COC(=O)Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccs1	ZINC000826380280	608276200	/nfs/dbraw/zinc/27/62/00/608276200.db2.gz	UDEYALUTVSDDTK-ZDUSSCGKSA-N	-1	3	353.407	2.396	20	30		FEEDHM
C=CC[C@H](CO)CNc1c(-c2nnn[n-]2)cnc2c(F)ccc(Cl)c21	ZINC000823888060	608410906	/nfs/dbraw/zinc/41/09/06/608410906.db2.gz	DRWQWXLHFVSPED-VIFPVBQESA-N	-1	3	362.796	2.226	20	30		FEEDHM
C=CC[C@H](CO)CNc1c(-c2nn[n-]n2)cnc2c(F)ccc(Cl)c21	ZINC000823888060	608410907	/nfs/dbraw/zinc/41/09/07/608410907.db2.gz	DRWQWXLHFVSPED-VIFPVBQESA-N	-1	3	362.796	2.226	20	30		FEEDHM
CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC(C)(C#N)CC1	ZINC000825620625	609156267	/nfs/dbraw/zinc/15/62/67/609156267.db2.gz	FMIAGZQBZARBJI-UHFFFAOYSA-N	-1	3	355.402	2.423	20	30		FEEDHM
CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC(C)(C#N)CC1	ZINC000825620625	609156268	/nfs/dbraw/zinc/15/62/68/609156268.db2.gz	FMIAGZQBZARBJI-UHFFFAOYSA-N	-1	3	355.402	2.423	20	30		FEEDHM
CC1(C#N)CCN(C(=O)CSCc2ccc(-c3nnn[n-]3)cc2)CC1	ZINC000824778382	609173358	/nfs/dbraw/zinc/17/33/58/609173358.db2.gz	NXTNLLIRCNSOQK-UHFFFAOYSA-N	-1	3	356.455	2.252	20	30		FEEDHM
CC1(C#N)CCN(C(=O)CSCc2ccc(-c3nn[n-]n3)cc2)CC1	ZINC000824778382	609173360	/nfs/dbraw/zinc/17/33/60/609173360.db2.gz	NXTNLLIRCNSOQK-UHFFFAOYSA-N	-1	3	356.455	2.252	20	30		FEEDHM
CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCC(C)(C#N)CC1	ZINC000824777422	609173440	/nfs/dbraw/zinc/17/34/40/609173440.db2.gz	ILJFGLWRQSMTMW-UHFFFAOYSA-N	-1	3	354.414	2.176	20	30		FEEDHM
CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC(C)(C#N)CC1	ZINC000824777422	609173441	/nfs/dbraw/zinc/17/34/41/609173441.db2.gz	ILJFGLWRQSMTMW-UHFFFAOYSA-N	-1	3	354.414	2.176	20	30		FEEDHM
CC(C)(C)Nc1ccc(C(N)=NOCc2ccccc2-c2nnn[n-]2)nc1	ZINC000824092885	609218911	/nfs/dbraw/zinc/21/89/11/609218911.db2.gz	BHECQAMNXFDNFI-UHFFFAOYSA-N	-1	3	366.429	2.309	20	30		FEEDHM
CC(C)(C)Nc1ccc(C(N)=NOCc2ccccc2-c2nn[n-]n2)nc1	ZINC000824092885	609218912	/nfs/dbraw/zinc/21/89/12/609218912.db2.gz	BHECQAMNXFDNFI-UHFFFAOYSA-N	-1	3	366.429	2.309	20	30		FEEDHM
COC[C@@H](C)NN=Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1	ZINC000826150203	609306167	/nfs/dbraw/zinc/30/61/67/609306167.db2.gz	YTXPHJOCDBKMAY-CQSZACIVSA-N	-1	3	366.425	2.404	20	30		FEEDHM
COC[C@@H](C)NN=Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1	ZINC000826150203	609306169	/nfs/dbraw/zinc/30/61/69/609306169.db2.gz	YTXPHJOCDBKMAY-CQSZACIVSA-N	-1	3	366.425	2.404	20	30		FEEDHM
CSc1nc(C2CC2)cc(C(=O)NCC(C)(C)C#N)c1-c1nnn[n-]1	ZINC000826231744	609431159	/nfs/dbraw/zinc/43/11/59/609431159.db2.gz	YECXBWMPINRZGU-UHFFFAOYSA-N	-1	3	357.443	2.141	20	30		FEEDHM
COc1ccc(O)cc1C(=O)C=Cc1ccc(OC)c(-c2nnn[n-]2)c1	ZINC000826210611	609507128	/nfs/dbraw/zinc/50/71/28/609507128.db2.gz	XZYPVRVIYPMHJT-ZZXKWVIFSA-N	-1	3	352.350	2.486	20	30		FEEDHM
COc1ccc(O)cc1C(=O)C=Cc1ccc(OC)c(-c2nn[n-]n2)c1	ZINC000826210611	609507130	/nfs/dbraw/zinc/50/71/30/609507130.db2.gz	XZYPVRVIYPMHJT-ZZXKWVIFSA-N	-1	3	352.350	2.486	20	30		FEEDHM
C#Cc1cccc(NC(=O)CNc2ncc(Cl)c(C)c2-c2nnn[n-]2)c1	ZINC000823861332	609536647	/nfs/dbraw/zinc/53/66/47/609536647.db2.gz	DUDYFTCAUZNPFM-UHFFFAOYSA-N	-1	3	367.800	2.255	20	30		FEEDHM
C#Cc1cccc(NC(=O)CNc2ncc(Cl)c(C)c2-c2nn[n-]n2)c1	ZINC000823861332	609536649	/nfs/dbraw/zinc/53/66/49/609536649.db2.gz	DUDYFTCAUZNPFM-UHFFFAOYSA-N	-1	3	367.800	2.255	20	30		FEEDHM
CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)OCc1ccc(-c2nnn[n-]2)cc1	ZINC000824099409	609625114	/nfs/dbraw/zinc/62/51/14/609625114.db2.gz	FXDAICIVSOHHBN-SFHVURJKSA-N	-1	3	371.397	2.172	20	30		FEEDHM
CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)OCc1ccc(-c2nn[n-]n2)cc1	ZINC000824099409	609625115	/nfs/dbraw/zinc/62/51/15/609625115.db2.gz	FXDAICIVSOHHBN-SFHVURJKSA-N	-1	3	371.397	2.172	20	30		FEEDHM
Cc1cc(C(=O)OCCC(C)(C)C#N)nn1-c1cccc(-c2nnn[n-]2)c1	ZINC000826260770	609626057	/nfs/dbraw/zinc/62/60/57/609626057.db2.gz	DEWOMPWLQZXZEV-UHFFFAOYSA-N	-1	3	365.397	2.458	20	30		FEEDHM
Cc1cc(C(=O)OCCC(C)(C)C#N)nn1-c1cccc(-c2nn[n-]n2)c1	ZINC000826260770	609626059	/nfs/dbraw/zinc/62/60/59/609626059.db2.gz	DEWOMPWLQZXZEV-UHFFFAOYSA-N	-1	3	365.397	2.458	20	30		FEEDHM
C#CCONC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1C	ZINC000812782861	674697922	/nfs/dbraw/zinc/69/79/22/674697922.db2.gz	MJMSHKQQWHZBIX-UHFFFAOYSA-N	-1	3	358.419	2.399	20	30		FEEDHM
COC(=O)c1ccc(S(=O)(=O)[N-]CC2CCC(C#N)CC2)c(F)c1	ZINC000562937313	674825136	/nfs/dbraw/zinc/82/51/36/674825136.db2.gz	OTQFYIIJHCSVIO-UHFFFAOYSA-N	-1	3	354.403	2.221	20	30		FEEDHM
O=C(N[C@@H]1CCN([O-])C1=O)c1ccc(Br)cc1C(F)(F)F	ZINC000816694336	675073691	/nfs/dbraw/zinc/07/36/91/675073691.db2.gz	CWYFRWTXDIFLIG-SECBINFHSA-N	-1	3	367.121	2.188	20	30		FEEDHM
COc1cc(-n2cccc2)c(Cl)cc1C(=O)N[C@H]1CCCN([O-])C1=O	ZINC000816757190	675078065	/nfs/dbraw/zinc/07/80/65/675078065.db2.gz	NISYWCLDYDSQAW-ZDUSSCGKSA-N	-1	3	363.801	2.249	20	30		FEEDHM
CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)O[C@H](C#N)C2CC2)ccc1F	ZINC000080412594	670624232	/nfs/dbraw/zinc/62/42/32/670624232.db2.gz	OMUNOLUSEZBQAD-CYBMUJFWSA-N	-1	3	354.403	2.361	20	30		FEEDHM
C=CC[C@@H](CO)C[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F	ZINC000573275580	671102685	/nfs/dbraw/zinc/10/26/85/671102685.db2.gz	UPXDBYDXAUKHNE-SECBINFHSA-N	-1	3	357.325	2.187	20	30		FEEDHM
Cc1cc(C)[n-]c(=NNS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)n1	ZINC000177618877	672384187	/nfs/dbraw/zinc/38/41/87/672384187.db2.gz	ZKMNXNQFCRAJCX-UHFFFAOYSA-N	-1	3	371.344	2.289	20	30		FEEDHM
CC(=O)Nc1ncc(S(=O)(=O)[N-]Cc2ccc(C#N)c(Cl)c2)s1	ZINC000588132968	672452736	/nfs/dbraw/zinc/45/27/36/672452736.db2.gz	CMKLESDQMXKUTF-UHFFFAOYSA-N	-1	3	370.843	2.105	20	30		FEEDHM
N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CC[C@](O)(C(F)(F)F)C1	ZINC000589922915	672547855	/nfs/dbraw/zinc/54/78/55/672547855.db2.gz	QSYQNOZOONSDNL-CMPLNLGQSA-N	-1	3	368.764	2.336	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]C2(c3noc(C(F)F)n3)CCC2)c(F)c1	ZINC000589926513	672548323	/nfs/dbraw/zinc/54/83/23/672548323.db2.gz	WWDVEEWBEPOYRN-UHFFFAOYSA-N	-1	3	372.328	2.376	20	30		FEEDHM
N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H]1CC[C@@](O)(C(F)(F)F)C1	ZINC000589924460	672548341	/nfs/dbraw/zinc/54/83/41/672548341.db2.gz	XVNHVLRTHLETEB-UFBFGSQYSA-N	-1	3	368.764	2.336	20	30		FEEDHM
CCO[C@@H]1C[C@@H](NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)[C@@H]1SC	ZINC000592710390	672829734	/nfs/dbraw/zinc/82/97/34/672829734.db2.gz	WZFAJXOJWCWWHT-INMHGKMJSA-N	-1	3	363.483	2.234	20	30		FEEDHM
COCCOCc1ccc(C[N-]S(=O)(=O)c2ccsc2C#N)cc1	ZINC000593597830	672954299	/nfs/dbraw/zinc/95/42/99/672954299.db2.gz	IZORTDVZOOAFCK-UHFFFAOYSA-N	-1	3	366.464	2.261	20	30		FEEDHM
COc1cc(C=NNC(=S)NCCc2ccccn2)cc(Cl)c1[O-]	ZINC000726425396	673121603	/nfs/dbraw/zinc/12/16/03/673121603.db2.gz	NTEJCQLACIMFSE-UHFFFAOYSA-N	-1	3	364.858	2.490	20	30		FEEDHM
CC(C)NS(=O)(=O)c1ccc(N=NC(C)c2ccc(F)cc2[O-])nc1	ZINC000727778404	673182249	/nfs/dbraw/zinc/18/22/49/673182249.db2.gz	GWQFOBZGHRPFSZ-UHFFFAOYSA-N	-1	3	366.418	2.449	20	30		FEEDHM
CC(N=Nc1ccc(S(=O)(=O)NC2CC2)cn1)c1ccc(F)cc1[O-]	ZINC000727779067	673182326	/nfs/dbraw/zinc/18/23/26/673182326.db2.gz	XERUBOAAWQCKAA-UHFFFAOYSA-N	-1	3	364.402	2.203	20	30		FEEDHM
CNC(=O)c1ccc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)cn1	ZINC000728766686	673211151	/nfs/dbraw/zinc/21/11/51/673211151.db2.gz	GFBJGVIMXOWZIU-LLVKDONJSA-N	-1	3	356.769	2.056	20	30		FEEDHM
C=CCCCOC(=O)C[N-]S(=O)(=O)c1ccc(Br)s1	ZINC000735534743	673496394	/nfs/dbraw/zinc/49/63/94/673496394.db2.gz	PBBHCHXKHRLLGL-UHFFFAOYSA-N	-1	3	368.274	2.298	20	30		FEEDHM
Cc1cccc(NC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)c1	ZINC000742464997	673728779	/nfs/dbraw/zinc/72/87/79/673728779.db2.gz	YGYZAXUKGSETBA-CYBMUJFWSA-N	-1	3	357.435	2.451	20	30		FEEDHM
C[C@@H](CC(=O)N(C)CC(C)(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000742620759	673732618	/nfs/dbraw/zinc/73/26/18/673732618.db2.gz	DPTCGUBLKKACTM-LBPRGKRZSA-N	-1	3	351.472	2.008	20	30		FEEDHM
C[C@H](CC(=O)N1CCC[C@H](C)[C@H]1C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000742700986	673735151	/nfs/dbraw/zinc/73/51/51/673735151.db2.gz	AYTRCLSFKOAXIZ-BFHYXJOUSA-N	-1	3	363.483	2.151	20	30		FEEDHM
Cc1ccc(C)c2c1NC(=O)C2=N[N-]S(=O)(=O)CCc1ccccc1	ZINC000743449222	673760230	/nfs/dbraw/zinc/76/02/30/673760230.db2.gz	QZOKHDKAUMCKDM-UHFFFAOYSA-N	-1	3	357.435	2.122	20	30		FEEDHM
COc1ccccc1Nc1nc(Cl)c(C=NN2CC(=O)[N-]C2=O)s1	ZINC000744810075	673811963	/nfs/dbraw/zinc/81/19/63/673811963.db2.gz	IQALGUUNZIBSND-UHFFFAOYSA-N	-1	3	365.802	2.434	20	30		FEEDHM
Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C=NN1CC(=O)[N-]C1=O	ZINC000744810111	673812124	/nfs/dbraw/zinc/81/21/24/673812124.db2.gz	LDWUZJKJIQZJNZ-UHFFFAOYSA-N	-1	3	352.181	2.373	20	30		FEEDHM
O=C(N[C@H]1CCN([O-])C1=O)c1ccc(OC(F)(F)F)cc1C(F)(F)F	ZINC000820126820	675337847	/nfs/dbraw/zinc/33/78/47/675337847.db2.gz	GOZVJKIBZOJEBC-VIFPVBQESA-N	-1	3	372.221	2.324	20	30		FEEDHM
Cc1cc(C(C)(C)C(=O)N[C@H]2CCN([O-])C2=O)ccc1Br	ZINC000820138051	675338658	/nfs/dbraw/zinc/33/86/58/675338658.db2.gz	WITDTOXMTJEZQQ-LBPRGKRZSA-N	-1	3	355.232	2.141	20	30		FEEDHM
Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)N[C@@H]1CCN([O-])C1=O	ZINC000820149053	675339338	/nfs/dbraw/zinc/33/93/38/675339338.db2.gz	LFIOVNJGTVKEDK-LLVKDONJSA-N	-1	3	353.350	2.117	20	30		FEEDHM
O=C(CN(Cc1ccco1)c1cccc(Cl)c1)N[C@H]1CCN([O-])C1=O	ZINC000820155970	675340027	/nfs/dbraw/zinc/34/00/27/675340027.db2.gz	BXDJPAIKJAZTNS-HNNXBMFYSA-N	-1	3	363.801	2.046	20	30		FEEDHM
O=C(N[C@H]1CCN([O-])C1=O)C1(c2cc(C(F)(F)F)ccc2Cl)CC1	ZINC000820180498	675341512	/nfs/dbraw/zinc/34/15/12/675341512.db2.gz	ZNFAAFSXEDOYNP-NSHDSACASA-N	-1	3	362.735	2.497	20	30		FEEDHM
Cc1nc(CSc2ccccc2C(=O)N[C@H]2CCN([O-])C2=O)cs1	ZINC000820185173	675342191	/nfs/dbraw/zinc/34/21/91/675342191.db2.gz	JJXBXIFKLCFCNK-ZDUSSCGKSA-N	-1	3	363.464	2.464	20	30		FEEDHM
COc1cc(C(=O)N[C@@H]2CCN([O-])C2=O)cc(Cl)c1OCC(C)C	ZINC000820184805	675342199	/nfs/dbraw/zinc/34/21/99/675342199.db2.gz	FGFNBEMHBPULFW-GFCCVEGCSA-N	-1	3	356.806	2.103	20	30		FEEDHM
O=C(N[C@@H]1CCCN([O-])C1=O)c1csc(-c2c(F)cccc2F)n1	ZINC000820471460	675364392	/nfs/dbraw/zinc/36/43/92/675364392.db2.gz	WGAUSUIWHJNNPY-SNVBAGLBSA-N	-1	3	353.350	2.198	20	30		FEEDHM
O=C(CCSc1ccccc1Br)N[C@H]1CCCN([O-])C1=O	ZINC000820471539	675364631	/nfs/dbraw/zinc/36/46/31/675364631.db2.gz	YUNYMPRZXJPNEX-NSHDSACASA-N	-1	3	373.272	2.428	20	30		FEEDHM
C[C@H](CC(=O)O[C@H]1CCC1(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000821836607	675455325	/nfs/dbraw/zinc/45/53/25/675455325.db2.gz	IZPDHNDXPNJMRW-RISCZKNCSA-N	-1	3	350.440	2.236	20	30		FEEDHM
N#Cc1ncn(Cc2cc(-c3ccc(Cl)cc3)no2)c1-c1nnn[n-]1	ZINC000826388418	675687684	/nfs/dbraw/zinc/68/76/84/675687684.db2.gz	XSJZMPQKVSVLHC-UHFFFAOYSA-N	-1	3	352.745	2.292	20	30		FEEDHM
Cc1nnc([C@H](C)[N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)o1	ZINC000619712154	676391824	/nfs/dbraw/zinc/39/18/24/676391824.db2.gz	PCUDDJVVIJDVDA-ZETCQYMHSA-N	-1	3	360.317	2.308	20	30		FEEDHM
C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CC[C@](COC)(C(=O)[O-])C1	ZINC000635020570	677087618	/nfs/dbraw/zinc/08/76/18/677087618.db2.gz	ORWDLLYBHKKLOW-KDOFPFPSSA-N	-1	3	366.483	2.074	20	30		FEEDHM
C=CCCn1cc(CS(=O)(=O)c2nc(CCC3CCCC3)n[n-]2)nn1	ZINC000653486852	677533198	/nfs/dbraw/zinc/53/31/98/677533198.db2.gz	XIBCUFKSGHGYEG-UHFFFAOYSA-N	-1	3	364.475	2.069	20	30		FEEDHM
C=CCCn1cc(CS(=O)(=O)c2nnc(CCC3CCCC3)[n-]2)nn1	ZINC000653486852	677533200	/nfs/dbraw/zinc/53/32/00/677533200.db2.gz	XIBCUFKSGHGYEG-UHFFFAOYSA-N	-1	3	364.475	2.069	20	30		FEEDHM
CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N[C@H]1CC1(C)C	ZINC000840507402	680828035	/nfs/dbraw/zinc/82/80/35/680828035.db2.gz	MFXKTQFGSAADPK-ZFWWWQNUSA-N	-1	3	363.483	2.055	20	30		FEEDHM
CCOC(=O)Nc1ccc([N-]S(=O)(=O)CC(C)(C)OC)cc1C#N	ZINC000840915553	680852633	/nfs/dbraw/zinc/85/26/33/680852633.db2.gz	JBESIZJFBJGWPQ-UHFFFAOYSA-N	-1	3	355.416	2.293	20	30		FEEDHM
CC/C=C/CNC(=O)[C@H](CC(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000836816687	680518068	/nfs/dbraw/zinc/51/80/68/680518068.db2.gz	YBZUWGTVQLLUFN-PXTSUWAFSA-N	-1	3	363.483	2.222	20	30		FEEDHM
CC[C@@](C)(C#N)[N-]C(=O)C(F)(F)c1ccc(OCC(=O)N(C)C)cc1	ZINC000769478388	680984146	/nfs/dbraw/zinc/98/41/46/680984146.db2.gz	UTXUBZHTPQLKEN-INIZCTEOSA-N	-1	3	353.369	2.054	20	30		FEEDHM
C#C[C@@H]([N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl)[C@@H]1CCCO1	ZINC000773054004	681122831	/nfs/dbraw/zinc/12/28/31/681122831.db2.gz	RTYWNAHCPXYRIR-PWSUYJOCSA-N	-1	3	358.803	2.016	20	30		FEEDHM
O=C1[N-]c2c(cc([N+](=O)[O-])cc2F)C1=NNC(=S)NC1CCCCC1	ZINC000774321062	681178667	/nfs/dbraw/zinc/17/86/67/681178667.db2.gz	PXLNPACMOFPOKU-UHFFFAOYSA-N	-1	3	365.390	2.187	20	30		FEEDHM
CSC(C)(C)COC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000775317860	681297466	/nfs/dbraw/zinc/29/74/66/681297466.db2.gz	DDEHZMCXTLRAHS-NSHDSACASA-N	-1	3	370.496	2.189	20	30		FEEDHM
CC(C)(C)[C@@H]([N-]S(C)(=O)=O)C(=O)OCc1ccc(C2(C#N)CC2)cc1	ZINC000777140973	681468744	/nfs/dbraw/zinc/46/87/44/681468744.db2.gz	WMNONIBBJIHQMR-HNNXBMFYSA-N	-1	3	364.467	2.249	20	30		FEEDHM
CC(C)OCCO[N-]C(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1	ZINC000848108256	681474334	/nfs/dbraw/zinc/47/43/34/681474334.db2.gz	GTRQDNOJKFOTKC-UHFFFAOYSA-N	-1	3	354.447	2.110	20	30		FEEDHM
C/C(=C/c1ccc(OC(F)(F)F)cc1)C(=O)N[C@H]1CCCN([O-])C1=O	ZINC000848131554	681477595	/nfs/dbraw/zinc/47/75/95/681477595.db2.gz	ILNTWBKQOVLTCO-XPSMFNQNSA-N	-1	3	358.316	2.485	20	30		FEEDHM
CC(C)(C(=O)N[C@@H]1CCCN([O-])C1=O)c1ccc(OC(F)(F)F)cc1	ZINC000848134206	681478042	/nfs/dbraw/zinc/47/80/42/681478042.db2.gz	PLOPQIFTEQNUER-GFCCVEGCSA-N	-1	3	360.332	2.359	20	30		FEEDHM
CC(C)(C(=O)N[C@H]1CCCN([O-])C1=O)c1ccc(OC(F)(F)F)cc1	ZINC000848134207	681478121	/nfs/dbraw/zinc/47/81/21/681478121.db2.gz	PLOPQIFTEQNUER-LBPRGKRZSA-N	-1	3	360.332	2.359	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)OCC[C@H](C)C(C)=O)ccc1F	ZINC000849678436	681781090	/nfs/dbraw/zinc/78/10/90/681781090.db2.gz	DGGMSPOLXBHBKH-NSHDSACASA-N	-1	3	357.403	2.062	20	30		FEEDHM
CC(C)Oc1ccc([N-]S(=O)(=O)CC(=O)OCC(C)(C)C#N)cc1	ZINC000781466860	681937842	/nfs/dbraw/zinc/93/78/42/681937842.db2.gz	RCLCUKCGCHJGDK-UHFFFAOYSA-N	-1	3	354.428	2.308	20	30		FEEDHM
C=C(C)CNC(=S)NCc1cccc(-c2nnc(C(=O)OCC)[n-]2)c1	ZINC000788334415	682521029	/nfs/dbraw/zinc/52/10/29/682521029.db2.gz	WSUAGHZZHCLWPL-UHFFFAOYSA-N	-1	3	359.455	2.189	20	30		FEEDHM
C=C(C)CNC(=S)NCc1cccc(-c2n[n-]c(C(=O)OCC)n2)c1	ZINC000788334415	682521031	/nfs/dbraw/zinc/52/10/31/682521031.db2.gz	WSUAGHZZHCLWPL-UHFFFAOYSA-N	-1	3	359.455	2.189	20	30		FEEDHM
CC[C@H](C)CCNC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000855388487	682664791	/nfs/dbraw/zinc/66/47/91/682664791.db2.gz	SANUYRLWSFPQLQ-QWHCGFSZSA-N	-1	3	351.472	2.056	20	30		FEEDHM
C=CCCO[N-]C(=O)CC[C@@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O	ZINC000856032452	682736163	/nfs/dbraw/zinc/73/61/63/682736163.db2.gz	OCVAVASUYZCAPS-ZDUSSCGKSA-N	-1	3	351.790	2.169	20	30		FEEDHM
COC(=O)c1csc(C(C)=N[N-]S(=O)(=O)Cc2ccccc2)c1	ZINC000794903935	683002074	/nfs/dbraw/zinc/00/20/74/683002074.db2.gz	UUDUNMIXNDWYOE-UHFFFAOYSA-N	-1	3	352.437	2.378	20	30		FEEDHM
Cc1ccc(N2CC[NH+]=C2[O-])cc1[N-]S(=O)(=O)c1ccc(C#N)s1	ZINC000797818265	683275872	/nfs/dbraw/zinc/27/58/72/683275872.db2.gz	UHWDNKFVIHBUSD-UHFFFAOYSA-N	-1	3	362.436	2.259	20	30		FEEDHM
CC(C)N1c2ccccc2C(=N[N-]S(=O)(=O)Cc2ccccc2)C1=O	ZINC000920383908	683337998	/nfs/dbraw/zinc/33/79/98/683337998.db2.gz	OWRKGNVAGPJBBO-UHFFFAOYSA-N	-1	3	357.435	2.265	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)NC[C@H]2CCC[C@@H]2C)ccc1F	ZINC000798685876	683379852	/nfs/dbraw/zinc/37/98/52/683379852.db2.gz	SAZHUAYNXJUKFN-GXTWGEPZSA-N	-1	3	354.447	2.456	20	30		FEEDHM
CC(=NN[C@@H]1CCCS(=O)(=O)C1)c1ccc(Br)cc1[O-]	ZINC000863135174	683680550	/nfs/dbraw/zinc/68/05/50/683680550.db2.gz	XSWKGMFPTKFVTD-LLVKDONJSA-N	-1	3	361.261	2.046	20	30		FEEDHM
O=C(Nc1ncc(Cc2ccc(F)cc2)s1)N[C@@H]1CCCN([O-])C1=O	ZINC000866108696	684072860	/nfs/dbraw/zinc/07/28/60/684072860.db2.gz	VGAXLDJGAGKXRU-CYBMUJFWSA-N	-1	3	364.402	2.375	20	30		FEEDHM
C#C[C@H](C)NC(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21	ZINC000868514683	684504421	/nfs/dbraw/zinc/50/44/21/684504421.db2.gz	QQNKBFTWYZRJKL-NWDGAFQWSA-N	-1	3	353.344	2.390	20	30		FEEDHM
CC(C)[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@H]2CCC[C@@H]2C#N)ccc1F	ZINC000870676913	684744049	/nfs/dbraw/zinc/74/40/49/684744049.db2.gz	PGSHMLGHCPFUCD-HIFRSBDPSA-N	-1	3	367.446	2.277	20	30		FEEDHM
S=c1[n-]c2ccccc2nc1NN=Cc1cn(C[C@@H]2CCOC2)nn1	ZINC000872391847	684943034	/nfs/dbraw/zinc/94/30/34/684943034.db2.gz	PEMPRWMBQROWEG-NSHDSACASA-N	-1	3	355.427	2.366	20	30		FEEDHM
Cc1ccc(S(=O)(=O)[N-][C@@H](c2cnn(C)c2)C(F)(F)F)c(C#N)c1	ZINC000872480133	684961116	/nfs/dbraw/zinc/96/11/16/684961116.db2.gz	RMOJZMVPJVJFKV-ZDUSSCGKSA-N	-1	3	358.345	2.182	20	30		FEEDHM
C=C(C)CS(=O)(=O)[N-][C@@H](C(=O)OC)c1cccc(C(F)(F)F)c1	ZINC000872542379	684974833	/nfs/dbraw/zinc/97/48/33/684974833.db2.gz	AHTNFCLLXBEXRP-GFCCVEGCSA-N	-1	3	351.346	2.415	20	30		FEEDHM
CN(C)c1ccc(C(F)(F)F)cc1NC(=O)N[C@H]1CCCN([O-])C1=O	ZINC000878014902	686501998	/nfs/dbraw/zinc/50/19/98/686501998.db2.gz	SAUHHCUNFJPWJN-JTQLQIEISA-N	-1	3	360.336	2.273	20	30		FEEDHM
CCOc1cc(CN[C@H]2CCCN([O-])C2=O)cc(Br)c1OC	ZINC000895164303	689669844	/nfs/dbraw/zinc/66/98/44/689669844.db2.gz	CCORCAQRHZWPCX-LBPRGKRZSA-N	-1	3	373.247	2.326	20	30		FEEDHM
CON(C)S(=O)(=O)c1cccc(C(=O)N([O-])Cc2ccc(F)cc2)c1	ZINC000901375664	690641660	/nfs/dbraw/zinc/64/16/60/690641660.db2.gz	IXDOYVGSEFQXCG-UHFFFAOYSA-N	-1	3	368.386	2.039	20	30		FEEDHM
CC(=O)Nc1ccc(S(=O)(=O)[N-][C@H](CC#N)C(F)(F)F)cc1Cl	ZINC000901773707	690693028	/nfs/dbraw/zinc/69/30/28/690693028.db2.gz	WDOUZWZATFJFNP-LLVKDONJSA-N	-1	3	369.752	2.421	20	30		FEEDHM
C[C@]1(CCCC(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)NC(=O)NC1=O	ZINC000904181004	691010571	/nfs/dbraw/zinc/01/05/71/691010571.db2.gz	QKWXCIYJODJIRC-OAHLLOKOSA-N	-1	3	374.224	2.480	20	30		FEEDHM
C#CCN1CCC(C(=O)N[C@@]2(C(=O)[O-])CC[C@@H](C)c3ccccc32)CC1	ZINC001263635602	939829695	/nfs/dbraw/zinc/82/96/95/939829695.db2.gz	NJVORQCJGWOYDT-VFNWGFHPSA-N	-1	3	354.450	2.325	20	30		FEEDHM
COc1ccc([C@@H](C/N=C/c2ccc(O)c([O-])c2O)N2CCOCC2)cc1	ZINC000022728686	539698213	/nfs/dbraw/zinc/69/82/13/539698213.db2.gz	DAYNDADZIDSGFD-KKJJZKEWSA-N	-1	3	372.421	2.304	20	30		FEEDHM
COC(=O)C1(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)CCCCCC1	ZINC000043966133	540116313	/nfs/dbraw/zinc/11/63/13/540116313.db2.gz	HHWLIQMFWQOKRR-UHFFFAOYSA-N	-1	3	373.453	2.178	20	30		FEEDHM
COc1ccccc1-c1n[n-]c(NC(=O)[C@H](C)Oc2ccccc2C#N)n1	ZINC000052779008	540488648	/nfs/dbraw/zinc/48/86/48/540488648.db2.gz	DQEYHPVTFJDBPT-LBPRGKRZSA-N	-1	3	363.377	2.180	20	30		FEEDHM
C=CCN1C(=O)c2ccc(C(=O)Nc3nnc(-c4ccccn4)[n-]3)cc2C1=O	ZINC000053524212	540540918	/nfs/dbraw/zinc/54/09/18/540540918.db2.gz	PKTXVYLFFIVUMA-UHFFFAOYSA-N	-1	3	374.360	2.285	20	30		FEEDHM
C=CCN1C(=O)c2ccc(C(=O)Nc3nc(-c4ccccn4)n[n-]3)cc2C1=O	ZINC000053524212	540540922	/nfs/dbraw/zinc/54/09/22/540540922.db2.gz	PKTXVYLFFIVUMA-UHFFFAOYSA-N	-1	3	374.360	2.285	20	30		FEEDHM
C=CCN1C(=O)c2ccc(C(=O)Nc3n[n-]c(-c4ccccn4)n3)cc2C1=O	ZINC000053524212	540540926	/nfs/dbraw/zinc/54/09/26/540540926.db2.gz	PKTXVYLFFIVUMA-UHFFFAOYSA-N	-1	3	374.360	2.285	20	30		FEEDHM
CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(-n3cncn3)cc2)n1	ZINC000067896298	541526727	/nfs/dbraw/zinc/52/67/27/541526727.db2.gz	ZCEDFVDGGIOUCA-ZDUSSCGKSA-N	-1	3	367.390	2.391	20	30		FEEDHM
N#Cc1ccc(CCC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)cc1	ZINC000071955677	541776536	/nfs/dbraw/zinc/77/65/36/541776536.db2.gz	PTGDXVIQAIOWCJ-UHFFFAOYSA-N	-1	3	363.417	2.181	20	30		FEEDHM
Cc1nc([C@H]([N-]S(=O)(=O)CCCC#N)c2ccc(Cl)cc2)no1	ZINC000092335986	542857994	/nfs/dbraw/zinc/85/79/94/542857994.db2.gz	DSAQFGMFDAQUNL-CYBMUJFWSA-N	-1	3	354.819	2.344	20	30		FEEDHM
C=CCN(Cc1cc([O-])ccc1Br)[C@H]1CCS(=O)(=O)C1	ZINC000092361524	542859661	/nfs/dbraw/zinc/85/96/61/542859661.db2.gz	ZYYHPVFSYVGXRG-LBPRGKRZSA-N	-1	3	360.273	2.330	20	30		FEEDHM
C=C(C)CN1CCC(NC(=O)c2ccccc2[N-]S(=O)(=O)CC)CC1	ZINC000106035531	543186214	/nfs/dbraw/zinc/18/62/14/543186214.db2.gz	GRKKEJBOADQMAO-UHFFFAOYSA-N	-1	3	365.499	2.219	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc([S@](C)=O)c1	ZINC000110023021	543346486	/nfs/dbraw/zinc/34/64/86/543346486.db2.gz	OKEDEPDDVGYUKY-RUZDIDTESA-N	-1	3	357.435	2.172	20	30		FEEDHM
N#C[C@H]1CN(C(=O)c2c[n-]c3ccccc3c2=O)CCN1Cc1ccccc1	ZINC000114441240	543515848	/nfs/dbraw/zinc/51/58/48/543515848.db2.gz	KGFFRZIBILAJAP-KRWDZBQOSA-N	-1	3	372.428	2.378	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@@]1(C#N)CCC[C@H](C)C1	ZINC000116812599	543616969	/nfs/dbraw/zinc/61/69/69/543616969.db2.gz	DMIKWUKJEHSFLH-DCGLDWPTSA-N	-1	3	367.446	2.081	20	30		FEEDHM
COc1ccc(C#N)cc1CN1CCN(C(=O)c2cccc([O-])c2)CC1	ZINC000125405870	543879628	/nfs/dbraw/zinc/87/96/28/543879628.db2.gz	GWKGTUVOHVMWLO-UHFFFAOYSA-N	-1	3	351.406	2.230	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-][C@@H](CO)Cc2ccccc2)c(Cl)c1	ZINC000125851173	543905072	/nfs/dbraw/zinc/90/50/72/543905072.db2.gz	VJXBCOUDAWGRGC-CQSZACIVSA-N	-1	3	350.827	2.094	20	30		FEEDHM
N#Cc1cccc(OCCCN2CCN(C(=O)c3ccccc3[O-])CC2)c1	ZINC000128365811	544048327	/nfs/dbraw/zinc/04/83/27/544048327.db2.gz	ZQWQQCMLIJCUJJ-UHFFFAOYSA-N	-1	3	365.433	2.491	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCC[C@H]1CCCC[C@H]1O	ZINC000134477621	544310185	/nfs/dbraw/zinc/31/01/85/544310185.db2.gz	WTSBCVFWNHKBCA-CRAIPNDOSA-N	-1	3	359.470	2.244	20	30		FEEDHM
COc1ccc(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1C#N	ZINC000135171815	544337214	/nfs/dbraw/zinc/33/72/14/544337214.db2.gz	YHGOVASLDLXVFS-UHFFFAOYSA-N	-1	3	351.406	2.230	20	30		FEEDHM
CCc1nc(CN(C)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cs1	ZINC000149785363	544459511	/nfs/dbraw/zinc/45/95/11/544459511.db2.gz	NCHHWUXDHMNWFS-UHFFFAOYSA-N	-1	3	358.467	2.474	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]Cc2cnn(Cc3ccccc3)c2)c(F)c1	ZINC000151070826	544502404	/nfs/dbraw/zinc/50/24/04/544502404.db2.gz	OQRXQTYQHHOLQE-UHFFFAOYSA-N	-1	3	370.409	2.421	20	30		FEEDHM
C[C@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1F)N(C)Cc1ccccc1	ZINC000151178184	544513413	/nfs/dbraw/zinc/51/34/13/544513413.db2.gz	IPUIHGLAVNFMAW-CQSZACIVSA-N	-1	3	361.442	2.496	20	30		FEEDHM
N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCCc3cccc([O-])c32)cc1	ZINC000182943327	327794749	/nfs/dbraw/zinc/79/47/49/327794749.db2.gz	QDEQUTRKUZQEIB-UHFFFAOYSA-N	-1	3	370.430	2.158	20	30		FEEDHM
CN(C(=O)c1ccc(C#N)c([O-])c1)C1CCN(CCc2ccccn2)CC1	ZINC000187787655	328046130	/nfs/dbraw/zinc/04/61/30/328046130.db2.gz	RPURKKQSFUPIGY-UHFFFAOYSA-N	-1	3	364.449	2.438	20	30		FEEDHM
COc1ccc2c(c1)[nH]nc2NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C	ZINC000194815809	328441522	/nfs/dbraw/zinc/44/15/22/328441522.db2.gz	YOIZITIPANHKSU-UHFFFAOYSA-N	-1	3	365.393	2.320	20	30		FEEDHM
CC(C)[C@@H](O)CC[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000122066343	326382508	/nfs/dbraw/zinc/38/25/08/326382508.db2.gz	BTOZEFNKAAXSDQ-LBPRGKRZSA-N	-1	3	350.362	2.262	20	30		FEEDHM
CCO[C@@H](CC[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)C(C)C	ZINC000124317579	326451536	/nfs/dbraw/zinc/45/15/36/326451536.db2.gz	ALJYLABZPYIHBE-AWEZNQCLSA-N	-1	3	355.416	2.196	20	30		FEEDHM
N#Cc1cc(F)ccc1S(=O)(=O)[N-]CCOc1ncccc1Cl	ZINC000126548675	326490992	/nfs/dbraw/zinc/49/09/92/326490992.db2.gz	NIGCJLQDIPPFPU-UHFFFAOYSA-N	-1	3	355.778	2.103	20	30		FEEDHM
CCCNC(=O)C1([N-]S(=O)(=O)c2ccc(C#N)cc2F)CCCCC1	ZINC000151136433	326675557	/nfs/dbraw/zinc/67/55/57/326675557.db2.gz	RTASVPNVGVEDCO-UHFFFAOYSA-N	-1	3	367.446	2.205	20	30		FEEDHM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]CCc1c(F)cccc1F	ZINC000156601762	326837357	/nfs/dbraw/zinc/83/73/57/326837357.db2.gz	SUSCFACGGLJWOA-UHFFFAOYSA-N	-1	3	367.333	2.266	20	30		FEEDHM
N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]Cc1cccc2c1OCO2	ZINC000156684249	326840545	/nfs/dbraw/zinc/84/05/45/326840545.db2.gz	IKVYUNABGUCGJM-UHFFFAOYSA-N	-1	3	350.783	2.419	20	30		FEEDHM
N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H]1CCN(c2ccccn2)C1	ZINC000159317351	326927142	/nfs/dbraw/zinc/92/71/42/326927142.db2.gz	FZOBEOWVVNWWHM-GFCCVEGCSA-N	-1	3	362.842	2.164	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCO[C@@H](c2cccs2)C1	ZINC000161695509	327006673	/nfs/dbraw/zinc/00/66/73/327006673.db2.gz	SWXCMTIASZAXFE-MRXNPFEDSA-N	-1	3	371.462	2.458	20	30		FEEDHM
CSc1[n-]c(=O)c(C(=O)N(CCN(C)C)Cc2ccccc2)cc1C#N	ZINC000161704267	327006956	/nfs/dbraw/zinc/00/69/56/327006956.db2.gz	XTSHQQAFWUURRX-UHFFFAOYSA-N	-1	3	370.478	2.172	20	30		FEEDHM
C[C@H]1CN(Cc2ccccc2)C[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1F	ZINC000162349560	327023223	/nfs/dbraw/zinc/02/32/23/327023223.db2.gz	RVQCKMLAOWZIBZ-KSSFIOAISA-N	-1	3	373.453	2.496	20	30		FEEDHM
COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]Cc1cc(C#N)ccc1F	ZINC000178814664	327608654	/nfs/dbraw/zinc/60/86/54/327608654.db2.gz	XJCGLIQVZZUANT-UHFFFAOYSA-N	-1	3	366.345	2.102	20	30		FEEDHM
C[C@@H](CO[N-]C(=O)c1c(F)cc(C#N)cc1F)NC(=O)OC(C)(C)C	ZINC000273034968	329831671	/nfs/dbraw/zinc/83/16/71/329831671.db2.gz	FHIZLKLWSDKGQD-VIFPVBQESA-N	-1	3	355.341	2.411	20	30		FEEDHM
Cc1cccc(N2CCC([N-]S(=O)(=O)c3ccc(C#N)s3)CC2)n1	ZINC000367189731	330227717	/nfs/dbraw/zinc/22/77/17/330227717.db2.gz	WZXJCBRWYWZAOZ-UHFFFAOYSA-N	-1	3	362.480	2.271	20	30		FEEDHM
N#Cc1ccc(OCC[N-]S(=O)(=O)c2cnc(Cl)c(F)c2)cc1	ZINC000805017705	674313175	/nfs/dbraw/zinc/31/31/75/674313175.db2.gz	ZWBQNJQACJGFEM-UHFFFAOYSA-N	-1	3	355.778	2.103	20	30		FEEDHM
N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2	ZINC000167310900	546158702	/nfs/dbraw/zinc/15/87/02/546158702.db2.gz	SSTASXHBHRHKGI-BMFZPTHFSA-N	-1	3	350.415	2.323	20	30		FEEDHM
CC(C)(C)[C@H]1C[C@H]([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CCO1	ZINC000479404165	561189071	/nfs/dbraw/zinc/18/90/71/561189071.db2.gz	DLKWQHYKBDEWNA-IAQYHMDHSA-N	-1	3	367.427	2.338	20	30		FEEDHM
N#Cc1cc(F)ccc1S(=O)(=O)[N-]Cc1ccc(Cn2cccn2)cc1	ZINC000178505042	546804647	/nfs/dbraw/zinc/80/46/47/546804647.db2.gz	KIJGTLDEPJLWBU-UHFFFAOYSA-N	-1	3	370.409	2.421	20	30		FEEDHM
Cc1ccc(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)c([O-])c1O	ZINC000179499757	546967183	/nfs/dbraw/zinc/96/71/83/546967183.db2.gz	UCLAFCCFWWBLED-INIZCTEOSA-N	-1	3	351.406	2.256	20	30		FEEDHM
CC1(C#N)CN(C(=O)c2cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c2)C1	ZINC000482660074	561257958	/nfs/dbraw/zinc/25/79/58/561257958.db2.gz	ULKVVZFGMFNBAK-UHFFFAOYSA-N	-1	3	361.345	2.063	20	30		FEEDHM
C=CCCC[C@H](C)NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1	ZINC000180844553	547192295	/nfs/dbraw/zinc/19/22/95/547192295.db2.gz	WAKQWCZVVWUCOF-NSHDSACASA-N	-1	3	364.464	2.220	20	30		FEEDHM
N#CC(=C([O-])c1cccc([N+](=O)[O-])c1N1CCOCC1)c1ccccn1	ZINC000181099545	547250072	/nfs/dbraw/zinc/25/00/72/547250072.db2.gz	BWIMFECSOHAIQW-CQSZACIVSA-N	-1	3	352.350	2.316	20	30		FEEDHM
CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-][C@]1(C#N)CCC[C@@H](C)C1	ZINC000182010123	547421480	/nfs/dbraw/zinc/42/14/80/547421480.db2.gz	AHCLXEGEAXATEB-BDJLRTHQSA-N	-1	3	354.428	2.379	20	30		FEEDHM
N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H](CO)c2ccccc2)c1	ZINC000185070067	547926897	/nfs/dbraw/zinc/92/68/97/547926897.db2.gz	OVMVVQADBFTSRE-AWEZNQCLSA-N	-1	3	350.827	2.266	20	30		FEEDHM
C=CCCOCC[N-]S(=O)(=O)c1ccc(Br)cc1F	ZINC000185522245	547997366	/nfs/dbraw/zinc/99/73/66/547997366.db2.gz	PLOBAQCCHHJORW-UHFFFAOYSA-N	-1	3	352.225	2.459	20	30		FEEDHM
C=CC[C@H](CO)NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1	ZINC000185725796	548025975	/nfs/dbraw/zinc/02/59/75/548025975.db2.gz	XZNJNSYQPFZPET-IEBWSBKVSA-N	-1	3	368.433	2.307	20	30		FEEDHM
C=C[C@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1OCCOC	ZINC000486006353	561334999	/nfs/dbraw/zinc/33/49/99/561334999.db2.gz	XLHUOJFLCYIUMM-JTQLQIEISA-N	-1	3	364.261	2.327	20	30		FEEDHM
C[C@H](C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1	ZINC000188099509	548271685	/nfs/dbraw/zinc/27/16/85/548271685.db2.gz	SPLDMOMZCBQLCI-DGCLKSJQSA-N	-1	3	358.847	2.478	20	30		FEEDHM
Cc1ccc2ncc(C#N)c(NCC[N-]S(=O)(=O)c3cccs3)c2c1	ZINC000488084241	561383169	/nfs/dbraw/zinc/38/31/69/561383169.db2.gz	FXWSVXXJMRTVFF-UHFFFAOYSA-N	-1	3	372.475	2.289	20	30		FEEDHM
C=CCCCS(=O)(=O)[N-][C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O	ZINC000489688380	561417142	/nfs/dbraw/zinc/41/71/42/561417142.db2.gz	ZULISZUXWBFMKU-AWEZNQCLSA-N	-1	3	360.838	2.470	20	30		FEEDHM
CC(C)(C)[N-]S(=O)(=O)c1cc(NC(=O)NCCCC#N)ccc1F	ZINC000273106478	550485613	/nfs/dbraw/zinc/48/56/13/550485613.db2.gz	BNJMWXFPWWPBPS-UHFFFAOYSA-N	-1	3	356.423	2.328	20	30		FEEDHM
COC(=O)c1cc(S(=O)(=O)[N-]CCCC#N)c(Cl)cc1Cl	ZINC000273501645	550500769	/nfs/dbraw/zinc/50/07/69/550500769.db2.gz	HYZLBCGGHYYMPK-UHFFFAOYSA-N	-1	3	351.211	2.362	20	30		FEEDHM
C=CCCCC[N-]S(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl	ZINC000274651736	550547498	/nfs/dbraw/zinc/54/74/98/550547498.db2.gz	NPKODZRILKJIEU-UHFFFAOYSA-N	-1	3	351.877	2.378	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1	ZINC000277176034	550640189	/nfs/dbraw/zinc/64/01/89/550640189.db2.gz	NALSSHWZGCVYPJ-XJKSGUPXSA-N	-1	3	365.361	2.040	20	30		FEEDHM
C[C@H]1CN(Cc2ccccc2)CC[C@H]1[N-]S(=O)(=O)c1cccnc1C#N	ZINC000277189897	550641491	/nfs/dbraw/zinc/64/14/91/550641491.db2.gz	OMFYDPVRJGKJOE-DOTOQJQBSA-N	-1	3	370.478	2.142	20	30		FEEDHM
Cc1nc2ccc(NC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)cn2n1	ZINC000280681286	551020771	/nfs/dbraw/zinc/02/07/71/551020771.db2.gz	CNVRICYUILIMKA-UHFFFAOYSA-N	-1	3	350.382	2.198	20	30		FEEDHM
COC(=O)c1cc(OC)c(S(=O)(=O)[N-]CC2CCC(C#N)CC2)s1	ZINC000282633973	551254287	/nfs/dbraw/zinc/25/42/87/551254287.db2.gz	SVAMTYKUAXZZRD-UHFFFAOYSA-N	-1	3	372.468	2.152	20	30		FEEDHM
Cc1ncc(CO)c(/C=N/Cc2ccncc2OC[C@H]2CCOC2)c1[O-]	ZINC000287008247	551951095	/nfs/dbraw/zinc/95/10/95/551951095.db2.gz	FOEXAFHUTZUOFQ-KLWSLPJISA-N	-1	3	357.410	2.017	20	30		FEEDHM
COc1ccc([C@H](C)[N-]S(=O)(=O)c2cccnc2C#N)c(C)c1OC	ZINC000287561868	552019459	/nfs/dbraw/zinc/01/94/59/552019459.db2.gz	WGKMWXHIWGJOJK-LBPRGKRZSA-N	-1	3	361.423	2.318	20	30		FEEDHM
COC[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1C#N)C1CC1	ZINC000287766322	552043833	/nfs/dbraw/zinc/04/38/33/552043833.db2.gz	JLYNGAJFUOLSGH-GFCCVEGCSA-N	-1	3	359.245	2.024	20	30		FEEDHM
C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(Br)c2C#N)CCO1	ZINC000287944233	552066446	/nfs/dbraw/zinc/06/64/46/552066446.db2.gz	WAVVHVWLIZICFO-UWVGGRQHSA-N	-1	3	359.245	2.167	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1C#N)[C@@H]1CCOC1	ZINC000288236972	552116541	/nfs/dbraw/zinc/11/65/41/552116541.db2.gz	SFIDAWGDWHVEMD-NXEZZACHSA-N	-1	3	359.245	2.024	20	30		FEEDHM
CO[C@@H]1[C@H]2C[C@H]3CN(C(=O)CCc4c(C)[n-]c(=O)c(C#N)c4C)[C@H]1[C@H]3C2	ZINC000288472124	552159506	/nfs/dbraw/zinc/15/95/06/552159506.db2.gz	OTHCLINCRWEUNR-RSADAIHESA-N	-1	3	355.438	2.090	20	30		FEEDHM
C=C[C@](C)(CCOC)c1nc(-c2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)no1	ZINC000288968942	552245314	/nfs/dbraw/zinc/24/53/14/552245314.db2.gz	QMJFMIXCUMFDJI-RTBURBONSA-N	-1	3	370.409	2.271	20	30		FEEDHM
Cn1c2ccc(C[N-]S(=O)(=O)c3ccc(C#N)o3)cc2nc1C1CC1	ZINC000289182664	552278644	/nfs/dbraw/zinc/27/86/44/552278644.db2.gz	NLHUMMPQZLCPHN-UHFFFAOYSA-N	-1	3	356.407	2.394	20	30		FEEDHM
COc1cc(CN2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)ccc1C#N	ZINC000291519799	552633452	/nfs/dbraw/zinc/63/34/52/552633452.db2.gz	JADGUWSDJJUIFY-ZDUSSCGKSA-N	-1	3	355.360	2.457	20	30		FEEDHM
O=C(c1nccs1)C(C(=S)[N-]C1CCC1)[n+]1cc([O-])ccc1F	ZINC000292385494	552721905	/nfs/dbraw/zinc/72/19/05/552721905.db2.gz	UZSPUFNPINFMEK-UHFFFAOYSA-O	-1	3	352.436	2.356	20	30		FEEDHM
CCC[C@@H](C)C(=O)NCC[N-]S(=O)(=O)c1cc(C#N)ccc1Cl	ZINC000293024005	552781532	/nfs/dbraw/zinc/78/15/32/552781532.db2.gz	PTBPIPPAGFPPJD-LLVKDONJSA-N	-1	3	357.863	2.042	20	30		FEEDHM
CC(C)Oc1ccc(NC(=O)c2cncc([N-]S(C)(=O)=O)c2)cc1C#N	ZINC000502881105	561628709	/nfs/dbraw/zinc/62/87/09/561628709.db2.gz	PDYWFXXKJHEAAY-UHFFFAOYSA-N	-1	3	374.422	2.364	20	30		FEEDHM
CC(=O)Nc1ncc(S(=O)(=O)[N-]C[C@H]2CCCn3cc(C)nc32)s1	ZINC000329254798	553911805	/nfs/dbraw/zinc/91/18/05/553911805.db2.gz	DDINOHHGDPJDEG-LLVKDONJSA-N	-1	3	369.472	2.112	20	30		FEEDHM
N#Cc1c2c(sc1NC(=O)CCN1CCN3C(=O)[N-]C(=O)[C@H]3C1)CCC2	ZINC000330131547	554070509	/nfs/dbraw/zinc/07/05/09/554070509.db2.gz	PTWMKTRVPIJJDA-GFCCVEGCSA-N	-1	3	373.438	2.163	20	30		FEEDHM
CN(C)c1nc(C(=O)NC[C@]2(O)CCC[C@@H](C(F)(F)F)C2)cc(=O)[n-]1	ZINC000330441980	554122287	/nfs/dbraw/zinc/12/22/87/554122287.db2.gz	VHKXTPJHBNHQSB-OTYXRUKQSA-N	-1	3	362.352	2.036	20	30		FEEDHM
CCNC(=O)N(C)c1cccc([N-]S(=O)(=O)C[C@H]2CCCCO2)c1	ZINC000331059982	554207954	/nfs/dbraw/zinc/20/79/54/554207954.db2.gz	NEPOKYFOJJAPQF-OAHLLOKOSA-N	-1	3	355.460	2.368	20	30		FEEDHM
COc1ccc(Br)c(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2C#N)c1	ZINC000331114233	554215289	/nfs/dbraw/zinc/21/52/89/554215289.db2.gz	JXMAXDJUVLNOHU-BXKDBHETSA-N	-1	3	359.245	2.428	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)C(=O)N1CCCC[C@@H]1C	ZINC000331261254	554238173	/nfs/dbraw/zinc/23/81/73/554238173.db2.gz	CDEPRYUNWSADIS-NWDGAFQWSA-N	-1	3	369.874	2.279	20	30		FEEDHM
CN(C)C(=O)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2C#N)C1	ZINC000331295086	554242883	/nfs/dbraw/zinc/24/28/83/554242883.db2.gz	YHXVEGKVPIZPSO-VXGBXAGGSA-N	-1	3	369.874	2.137	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]CCc2nc3c(s2)CCCC3)s1	ZINC000331438292	554265076	/nfs/dbraw/zinc/26/50/76/554265076.db2.gz	HKWKAVURGXXPSR-UHFFFAOYSA-N	-1	3	353.494	2.476	20	30		FEEDHM
N#Cc1ccc(CNCC[N-]S(=O)(=O)c2ccc(F)cc2Cl)s1	ZINC000509399226	561797583	/nfs/dbraw/zinc/79/75/83/561797583.db2.gz	GITHBUXUWFPSTF-UHFFFAOYSA-N	-1	3	373.862	2.480	20	30		FEEDHM
C=CCOc1ccc(C[N-]S(=O)(=O)c2cc(C(=O)OC)oc2C)cc1	ZINC000509615530	561807582	/nfs/dbraw/zinc/80/75/82/561807582.db2.gz	GGRRJMTWJOKLLS-UHFFFAOYSA-N	-1	3	365.407	2.418	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-][C@H]2CC23CCOCC3)c(C(F)(F)F)c1	ZINC000333105408	554572922	/nfs/dbraw/zinc/57/29/22/554572922.db2.gz	QXEPAJBKFNRUCG-ZDUSSCGKSA-N	-1	3	360.357	2.424	20	30		FEEDHM
CCN=c1[n-]c(C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)cs1	ZINC000610873361	554573362	/nfs/dbraw/zinc/57/33/62/554573362.db2.gz	DDSQYDKRQLDZII-UHFFFAOYSA-N	-1	3	372.454	2.274	20	30		FEEDHM
O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)N1CCCC12CCCCC2	ZINC000366907385	555965561	/nfs/dbraw/zinc/96/55/61/555965561.db2.gz	WOIAZZXHWMJGES-UHFFFAOYSA-N	-1	3	361.467	2.050	20	30		FEEDHM
Cn1cc2c(n1)CCC[C@H]2[N-]S(=O)(=O)c1cccc(Cl)c1C#N	ZINC000366970419	555985686	/nfs/dbraw/zinc/98/56/86/555985686.db2.gz	RTLVWDMNEHBATI-CQSZACIVSA-N	-1	3	350.831	2.301	20	30		FEEDHM
N#Cc1ccc(CS(=O)(=O)[N-]Cc2noc(-c3ccccc3)n2)cc1	ZINC000514751487	561977765	/nfs/dbraw/zinc/97/77/65/561977765.db2.gz	JIVPQUQTEXAYLX-UHFFFAOYSA-N	-1	3	354.391	2.228	20	30		FEEDHM
CC(C)(C#N)CCS(=O)(=O)[N-]Cc1noc(-c2ccccc2F)n1	ZINC000367721142	556122806	/nfs/dbraw/zinc/12/28/06/556122806.db2.gz	NOJBTPKXUBBMIR-UHFFFAOYSA-N	-1	3	352.391	2.235	20	30		FEEDHM
C=C(C)CN(CC)C(=O)[C@H](C)Sc1[n-]c(=O)nc(C)c1C(=O)OC	ZINC000514960415	561988809	/nfs/dbraw/zinc/98/88/09/561988809.db2.gz	GZWWMQXRGDGYRT-NSHDSACASA-N	-1	3	353.444	2.182	20	30		FEEDHM
CCc1cc(C(=O)N2CCC(Nc3ccc(C#N)cn3)CC2)ccc1[O-]	ZINC000368159647	556232775	/nfs/dbraw/zinc/23/27/75/556232775.db2.gz	WTSYXCHKMKRPEK-UHFFFAOYSA-N	-1	3	350.422	2.938	20	30		FEEDHM
C=CCN(CC)C(=O)C(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1	ZINC000370793953	556970081	/nfs/dbraw/zinc/97/00/81/556970081.db2.gz	OLRHIGIONNWONZ-UHFFFAOYSA-N	-1	3	354.410	2.385	20	30		FEEDHM
N#Cc1ccc(-n2ccc(NC(=O)c3c[n-]c4ccccc4c3=O)n2)c(F)c1	ZINC000371690288	557264165	/nfs/dbraw/zinc/26/41/65/557264165.db2.gz	WPMZDJRUNVMDSE-UHFFFAOYSA-N	-1	3	373.347	2.977	20	30		FEEDHM
N#Cc1ccc(-n2ccc(NC(=O)c3cnc4ccccc4c3[O-])n2)c(F)c1	ZINC000371690288	557264167	/nfs/dbraw/zinc/26/41/67/557264167.db2.gz	WPMZDJRUNVMDSE-UHFFFAOYSA-N	-1	3	373.347	2.977	20	30		FEEDHM
CC(C)(C#N)CCS(=O)(=O)[N-][C@H]1CCCN(c2cccc(F)c2)C1=O	ZINC000377825796	558428098	/nfs/dbraw/zinc/42/80/98/558428098.db2.gz	FSGNKLHUZCVEBO-HNNXBMFYSA-N	-1	3	367.446	2.180	20	30		FEEDHM
COc1ccc(S(=O)(=O)[N-]c2cccc(CNC(=O)[C@@H](C)C#N)c2)cc1	ZINC000522977131	562206895	/nfs/dbraw/zinc/20/68/95/562206895.db2.gz	XPXMUTWFWLYPOB-ZDUSSCGKSA-N	-1	3	373.434	2.272	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-]CCCc1c[nH]c2ccc(F)cc12	ZINC000409933909	558728545	/nfs/dbraw/zinc/72/85/45/558728545.db2.gz	QRKZLHVGFMULMW-UHFFFAOYSA-N	-1	3	358.398	2.485	20	30		FEEDHM
CCN(CCC#N)S(=O)(=O)[N-][C@@H](CO)c1c(Cl)cccc1Cl	ZINC000410385332	558754177	/nfs/dbraw/zinc/75/41/77/558754177.db2.gz	BAFHEUDZLPAVDH-LBPRGKRZSA-N	-1	3	366.270	2.097	20	30		FEEDHM
Cc1cc([N-]S(=O)(=O)c2cnc(C)c(C#N)c2)ccc1OCCN(C)C	ZINC000414389369	559160827	/nfs/dbraw/zinc/16/08/27/559160827.db2.gz	QMJXEQGVOLHDQG-UHFFFAOYSA-N	-1	3	374.466	2.311	20	30		FEEDHM
CC(C)[C@@H](CCO)[N-]S(=O)(=O)c1cc(Br)ccc1C#N	ZINC000416407004	559310566	/nfs/dbraw/zinc/31/05/66/559310566.db2.gz	HVJZTPJQAWPESK-GFCCVEGCSA-N	-1	3	361.261	2.006	20	30		FEEDHM
N#Cc1ccc(Br)cc1S(=O)(=O)[N-]C[C@@H]1CCC[C@@H](O)C1	ZINC000416407428	559310669	/nfs/dbraw/zinc/31/06/69/559310669.db2.gz	KEVXGORXGNRWED-ZWNOBZJWSA-N	-1	3	373.272	2.150	20	30		FEEDHM
C[C@]1(C[N-]S(=O)(=O)c2cc(Br)ccc2C#N)CCCO1	ZINC000416421500	559311968	/nfs/dbraw/zinc/31/19/68/559311968.db2.gz	CUPRZUVQHUUHKX-CYBMUJFWSA-N	-1	3	359.245	2.168	20	30		FEEDHM
C=CC[C@@H](CO)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000416459038	559314543	/nfs/dbraw/zinc/31/45/43/559314543.db2.gz	QWPBOPCPQFRJSQ-SECBINFHSA-N	-1	3	368.333	2.077	20	30		FEEDHM
N#Cc1ccc(Br)cc1S(=O)(=O)[N-]CCOC(F)(F)F	ZINC000416469867	559315578	/nfs/dbraw/zinc/31/55/78/559315578.db2.gz	KVDZPIIRGLOKHX-UHFFFAOYSA-N	-1	3	373.150	2.135	20	30		FEEDHM
CO[C@H](C[N-]S(=O)(=O)c1cc(Br)ccc1C#N)C1CC1	ZINC000416490156	559317131	/nfs/dbraw/zinc/31/71/31/559317131.db2.gz	SUIIWTOVXIYEOF-GFCCVEGCSA-N	-1	3	359.245	2.024	20	30		FEEDHM
CC1(C)COC[C@@H]1[N-]S(=O)(=O)c1cc(Br)ccc1C#N	ZINC000416493520	559317469	/nfs/dbraw/zinc/31/74/69/559317469.db2.gz	HJLMWLJVOPFYCD-LBPRGKRZSA-N	-1	3	359.245	2.024	20	30		FEEDHM
CO[C@H]([C@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1C#N)C1CC1	ZINC000416496899	559317773	/nfs/dbraw/zinc/31/77/73/559317773.db2.gz	RFMRJHKSECDWNW-LKFCYVNXSA-N	-1	3	373.272	2.413	20	30		FEEDHM
Cc1ccc(C[C@H](CO)[N-]S(=O)(=O)c2ccc(C#N)s2)cc1C	ZINC000416514408	559319154	/nfs/dbraw/zinc/31/91/54/559319154.db2.gz	GRPPWIQHSPIWAU-CQSZACIVSA-N	-1	3	350.465	2.119	20	30		FEEDHM
C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2cc(Br)ccc2C#N)[C@H](C)O1	ZINC000416608896	559324927	/nfs/dbraw/zinc/32/49/27/559324927.db2.gz	SXNSRUZIKQPJEB-JFGNBEQYSA-N	-1	3	373.272	2.413	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)c1csnn1	ZINC000416630697	559326265	/nfs/dbraw/zinc/32/62/65/559326265.db2.gz	IOPPQHHCHKAAKZ-ZETCQYMHSA-N	-1	3	362.358	2.468	20	30		FEEDHM
COC(=O)c1ncccc1S(=O)(=O)[N-][C@H]1CCCc2cc(C#N)ccc21	ZINC000416660857	559328322	/nfs/dbraw/zinc/32/83/22/559328322.db2.gz	KWYSJOHHSGIBAN-HNNXBMFYSA-N	-1	3	371.418	2.096	20	30		FEEDHM
COC(=O)c1cnc([C@@H](C)[N-]S(=O)(=O)c2ccc(C#N)cc2C)s1	ZINC000425201729	559690879	/nfs/dbraw/zinc/69/08/79/559690879.db2.gz	JOXAODIDSWRYQU-SNVBAGLBSA-N	-1	3	365.436	2.149	20	30		FEEDHM
CCOC(=O)CC1(C[N-]S(=O)(=O)c2cccnc2C#N)CCCCC1	ZINC000428374420	559774122	/nfs/dbraw/zinc/77/41/22/559774122.db2.gz	PXVNKUXXOWYTOF-UHFFFAOYSA-N	-1	3	365.455	2.135	20	30		FEEDHM
Cc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2C)n(C2CCN(C)CC2)n1	ZINC000432353853	559857210	/nfs/dbraw/zinc/85/72/10/559857210.db2.gz	QAPOKEWTHJGRFH-UHFFFAOYSA-N	-1	3	373.482	2.439	20	30		FEEDHM
C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(N(C)C)cc2)cc1	ZINC000432775772	559864268	/nfs/dbraw/zinc/86/42/68/559864268.db2.gz	WVVDAYXRMLDXRY-UHFFFAOYSA-N	-1	3	359.451	2.469	20	30		FEEDHM
CC(C)[C@H]([N-]S(=O)(=O)c1ccc(C#N)s1)c1nnc2ccccn21	ZINC000435428388	559922679	/nfs/dbraw/zinc/92/26/79/559922679.db2.gz	QMSYBJJWAFRJRC-AWEZNQCLSA-N	-1	3	361.452	2.338	20	30		FEEDHM
N#Cc1cccc(C2(C(=O)NCCCNC(=O)c3cccc([O-])c3)CC2)c1	ZINC000435469539	559923864	/nfs/dbraw/zinc/92/38/64/559923864.db2.gz	VNJXWRMMRRKQIS-UHFFFAOYSA-N	-1	3	363.417	2.232	20	30		FEEDHM
CCn1cnc(S(=O)(=O)[N-]CC#Cc2ccc(C(F)(F)F)cc2)c1	ZINC000437294060	559962847	/nfs/dbraw/zinc/96/28/47/559962847.db2.gz	QQBVRHLMSBYFKE-UHFFFAOYSA-N	-1	3	357.357	2.252	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]CCCO[C@@H]2CCCCO2)c(Cl)c1	ZINC000439186333	559989548	/nfs/dbraw/zinc/98/95/48/559989548.db2.gz	BHGOBEDWFGKCGV-OAHLLOKOSA-N	-1	3	358.847	2.423	20	30		FEEDHM
C=C(C)C[C@H](C)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F	ZINC000441386397	560030929	/nfs/dbraw/zinc/03/09/29/560030929.db2.gz	DZVQDKKWEFGURJ-NSHDSACASA-N	-1	3	362.854	2.476	20	30		FEEDHM
Cc1cc(CNCC[N-]S(=O)(=O)c2ccc(F)cc2F)ccc1C#N	ZINC000441365293	560029967	/nfs/dbraw/zinc/02/99/67/560029967.db2.gz	KKQFDDLOUGXCMX-UHFFFAOYSA-N	-1	3	365.405	2.213	20	30		FEEDHM
C=CC1CCN(S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)CC1	ZINC000442949550	560063281	/nfs/dbraw/zinc/06/32/81/560063281.db2.gz	IPPOCFNXPHVYEK-UHFFFAOYSA-N	-1	3	353.835	2.107	20	30		FEEDHM
C=CC1CCN(S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)CC1	ZINC000442949550	560063283	/nfs/dbraw/zinc/06/32/83/560063283.db2.gz	IPPOCFNXPHVYEK-UHFFFAOYSA-N	-1	3	353.835	2.107	20	30		FEEDHM
CC#CCCCC(=O)NCc1cccc(-c2nnc(C(=O)OCC)[n-]2)c1	ZINC000447684886	560166944	/nfs/dbraw/zinc/16/69/44/560166944.db2.gz	FQYSJFMDKSODGI-UHFFFAOYSA-N	-1	3	354.410	2.458	20	30		FEEDHM
CC#CCCCC(=O)NCc1cccc(-c2n[n-]c(C(=O)OCC)n2)c1	ZINC000447684886	560166945	/nfs/dbraw/zinc/16/69/45/560166945.db2.gz	FQYSJFMDKSODGI-UHFFFAOYSA-N	-1	3	354.410	2.458	20	30		FEEDHM
C=CCCCNS(=O)(=O)c1ccc([N-]S(=O)(=O)CCCC)cc1	ZINC000447928030	560173503	/nfs/dbraw/zinc/17/35/03/560173503.db2.gz	GONQQNHHKADELR-UHFFFAOYSA-N	-1	3	360.501	2.473	20	30		FEEDHM
N#Cc1ccc(CN2CCN(C(=O)Cc3ccc([O-])c(F)c3)CC2)cc1	ZINC000448580087	560190866	/nfs/dbraw/zinc/19/08/66/560190866.db2.gz	WVTVENDQEGMOEB-UHFFFAOYSA-N	-1	3	353.397	2.290	20	30		FEEDHM
C=CCC[C@@H](CO)[N-]S(=O)(=O)c1cc(Br)ccc1F	ZINC000452018607	560345916	/nfs/dbraw/zinc/34/59/16/560345916.db2.gz	CRCMAQZZDCGKTD-JTQLQIEISA-N	-1	3	352.225	2.194	20	30		FEEDHM
C=CCC[C@@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F	ZINC000452028604	560346561	/nfs/dbraw/zinc/34/65/61/560346561.db2.gz	YYWUBXZCMNXAFP-VIFPVBQESA-N	-1	3	368.333	2.219	20	30		FEEDHM
COc1ccccc1C(=O)C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N	ZINC000464191643	560835280	/nfs/dbraw/zinc/83/52/80/560835280.db2.gz	ZWXFZHPRSSFVQY-UHFFFAOYSA-N	-1	3	364.810	2.381	20	30		FEEDHM
Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NCCc1cccc(C#N)c1	ZINC000467770127	560916896	/nfs/dbraw/zinc/91/68/96/560916896.db2.gz	PTZXWRALEZLKTC-UHFFFAOYSA-N	-1	3	361.405	2.395	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(CC(F)(F)F)[C@@H]1CCOC1	ZINC000468986934	560944011	/nfs/dbraw/zinc/94/40/11/560944011.db2.gz	MJUWIXSPJGADJU-GFCCVEGCSA-N	-1	3	371.359	2.388	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCN2C2CCCCC2)c(F)c1	ZINC000528470739	562330897	/nfs/dbraw/zinc/33/08/97/562330897.db2.gz	BCNOQZQMICHADJ-HNNXBMFYSA-N	-1	3	351.447	2.383	20	30		FEEDHM
Cc1noc(C2CCC([N-]S(=O)(=O)c3ccc(C#N)cc3F)CC2)n1	ZINC000531002486	562431370	/nfs/dbraw/zinc/43/13/70/562431370.db2.gz	COSGLSLINVSNNM-UHFFFAOYSA-N	-1	3	364.402	2.394	20	30		FEEDHM
C=CCN1CC[C@@H](N(C)Cc2nc3c4ccccc4oc3c(=O)[n-]2)C1=O	ZINC000532462940	562478813	/nfs/dbraw/zinc/47/88/13/562478813.db2.gz	ASEYHXTZPAIWLM-CYBMUJFWSA-N	-1	3	352.394	2.300	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H]([C@H]2CCOC2)C1	ZINC000533502895	562511058	/nfs/dbraw/zinc/51/10/58/562511058.db2.gz	LVUVBOXPURPTFX-CVEARBPZSA-N	-1	3	357.454	2.483	20	30		FEEDHM
C[C@@]1(c2ccc(-c3noc(-c4ccc(C#N)cc4)n3)cc2)NC(=O)[N-]C1=O	ZINC000546241801	562635473	/nfs/dbraw/zinc/63/54/73/562635473.db2.gz	SIVFWMXBTWHUQH-IBGZPJMESA-N	-1	3	359.345	2.330	20	30		FEEDHM
C[C@H]1CCC[C@@](C#N)([N-]S(=O)(=O)c2c(C(F)(F)F)cnn2C)C1	ZINC000601962719	567888054	/nfs/dbraw/zinc/88/80/54/567888054.db2.gz	ONQIYNFHFTXRAH-JOYOIKCWSA-N	-1	3	350.366	2.190	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)CN1C[C@H](C(C)C)CC1=O	ZINC000735426196	598827768	/nfs/dbraw/zinc/82/77/68/598827768.db2.gz	LOYPMUKKVDUOTM-QGZVFWFLSA-N	-1	3	354.458	2.317	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)CN1C[C@H](C(C)C)CC1=O	ZINC000735426196	598827769	/nfs/dbraw/zinc/82/77/69/598827769.db2.gz	LOYPMUKKVDUOTM-QGZVFWFLSA-N	-1	3	354.458	2.317	20	30		FEEDHM
N#Cc1cc(NC(=O)CSCc2cccnc2)ccc1-c1nnn[n-]1	ZINC000737708648	598915612	/nfs/dbraw/zinc/91/56/12/598915612.db2.gz	HSLGPKGHLIUGIZ-UHFFFAOYSA-N	-1	3	351.395	2.005	20	30		FEEDHM
N#Cc1cc(NC(=O)CSCc2cccnc2)ccc1-c1nn[n-]n1	ZINC000737708648	598915614	/nfs/dbraw/zinc/91/56/14/598915614.db2.gz	HSLGPKGHLIUGIZ-UHFFFAOYSA-N	-1	3	351.395	2.005	20	30		FEEDHM
C=CC(=O)Nc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1	ZINC000735403273	598916379	/nfs/dbraw/zinc/91/63/79/598916379.db2.gz	SXLSIDZMMZXBIK-UHFFFAOYSA-N	-1	3	359.349	2.115	20	30		FEEDHM
C=CC(=O)Nc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1	ZINC000735403273	598916380	/nfs/dbraw/zinc/91/63/80/598916380.db2.gz	SXLSIDZMMZXBIK-UHFFFAOYSA-N	-1	3	359.349	2.115	20	30		FEEDHM
Cc1c(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)oc2c1C(=O)CCC2	ZINC000737214715	598918368	/nfs/dbraw/zinc/91/83/68/598918368.db2.gz	OOCLGLOLFVVNPX-UHFFFAOYSA-N	-1	3	362.349	2.411	20	30		FEEDHM
Cc1c(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)oc2c1C(=O)CCC2	ZINC000737214715	598918369	/nfs/dbraw/zinc/91/83/69/598918369.db2.gz	OOCLGLOLFVVNPX-UHFFFAOYSA-N	-1	3	362.349	2.411	20	30		FEEDHM
C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1	ZINC000736187775	598919784	/nfs/dbraw/zinc/91/97/84/598919784.db2.gz	IURNBTKRBWGBNV-NSHDSACASA-N	-1	3	359.349	2.016	20	30		FEEDHM
C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1	ZINC000736187775	598919786	/nfs/dbraw/zinc/91/97/86/598919786.db2.gz	IURNBTKRBWGBNV-NSHDSACASA-N	-1	3	359.349	2.016	20	30		FEEDHM
Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)Oc1ccc(CC#N)cc1	ZINC000737301919	598949510	/nfs/dbraw/zinc/94/95/10/598949510.db2.gz	WSXUSVBSJJOZNK-UHFFFAOYSA-N	-1	3	355.379	2.009	20	30		FEEDHM
Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)Oc1ccc(CC#N)cc1	ZINC000737301919	598949512	/nfs/dbraw/zinc/94/95/12/598949512.db2.gz	WSXUSVBSJJOZNK-UHFFFAOYSA-N	-1	3	355.379	2.009	20	30		FEEDHM
CCN([C@@H](C)c1ccc(-c2nnn[n-]2)cc1)S(=O)(=O)CCCCC#N	ZINC000736509357	598971383	/nfs/dbraw/zinc/97/13/83/598971383.db2.gz	VPSAUALBVSKMSG-ZDUSSCGKSA-N	-1	3	362.459	2.273	20	30		FEEDHM
CCN([C@@H](C)c1ccc(-c2nn[n-]n2)cc1)S(=O)(=O)CCCCC#N	ZINC000736509357	598971384	/nfs/dbraw/zinc/97/13/84/598971384.db2.gz	VPSAUALBVSKMSG-ZDUSSCGKSA-N	-1	3	362.459	2.273	20	30		FEEDHM
COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)CSCC(=O)[O-]	ZINC000739860342	597105675	/nfs/dbraw/zinc/10/56/75/597105675.db2.gz	MXWODRYZERXQHY-VIFPVBQESA-N	-1	3	370.814	2.122	20	30		FEEDHM
N#Cc1ccc(F)c(CNC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c1	ZINC000822829975	599280786	/nfs/dbraw/zinc/28/07/86/599280786.db2.gz	RRJHBILTZGZORH-UHFFFAOYSA-N	-1	3	355.308	2.338	20	30		FEEDHM
N#Cc1ccc(F)c(CNC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c1	ZINC000822829975	599280789	/nfs/dbraw/zinc/28/07/89/599280789.db2.gz	RRJHBILTZGZORH-UHFFFAOYSA-N	-1	3	355.308	2.338	20	30		FEEDHM
CCC(CC)CN(CCC#N)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1	ZINC000736337123	598254187	/nfs/dbraw/zinc/25/41/87/598254187.db2.gz	HUEMXIWSMRREOY-UHFFFAOYSA-N	-1	3	362.459	2.207	20	30		FEEDHM
CCC(CC)CN(CCC#N)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1	ZINC000736337123	598254188	/nfs/dbraw/zinc/25/41/88/598254188.db2.gz	HUEMXIWSMRREOY-UHFFFAOYSA-N	-1	3	362.459	2.207	20	30		FEEDHM
C#CCOc1cccc(COC(=O)COc2cccc(-c3nnn[n-]3)c2)c1	ZINC000735380126	598414003	/nfs/dbraw/zinc/41/40/03/598414003.db2.gz	DCYCWTKPDOKXRU-UHFFFAOYSA-N	-1	3	364.361	2.001	20	30		FEEDHM
C#CCOc1cccc(COC(=O)COc2cccc(-c3nn[n-]n3)c2)c1	ZINC000735380126	598414004	/nfs/dbraw/zinc/41/40/04/598414004.db2.gz	DCYCWTKPDOKXRU-UHFFFAOYSA-N	-1	3	364.361	2.001	20	30		FEEDHM
C#CCOc1cccc(NC(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)c1	ZINC000735381567	598494415	/nfs/dbraw/zinc/49/44/15/598494415.db2.gz	VXBYJXODIQNOEL-ZDUSSCGKSA-N	-1	3	363.377	2.285	20	30		FEEDHM
N#Cc1cn(Cc2cn3ccccc3c2-c2nnn[n-]2)c2ccccc2c1=O	ZINC000737727977	598504161	/nfs/dbraw/zinc/50/41/61/598504161.db2.gz	GJQMWUPKSJIULB-UHFFFAOYSA-N	-1	3	367.372	2.354	20	30		FEEDHM
N#Cc1cn(Cc2cn3ccccc3c2-c2nn[n-]n2)c2ccccc2c1=O	ZINC000737727977	598504162	/nfs/dbraw/zinc/50/41/62/598504162.db2.gz	GJQMWUPKSJIULB-UHFFFAOYSA-N	-1	3	367.372	2.354	20	30		FEEDHM
CC(C)[C@@H](C#N)NC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1	ZINC000735690056	598625388	/nfs/dbraw/zinc/62/53/88/598625388.db2.gz	FTKJDOHLZMLTHV-CQSZACIVSA-N	-1	3	366.381	2.317	20	30		FEEDHM
CC(C)[C@@H](C#N)NC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1	ZINC000735690056	598625390	/nfs/dbraw/zinc/62/53/90/598625390.db2.gz	FTKJDOHLZMLTHV-CQSZACIVSA-N	-1	3	366.381	2.317	20	30		FEEDHM
CCN(C[C@H](C)C#N)C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1	ZINC000736511210	598684480	/nfs/dbraw/zinc/68/44/80/598684480.db2.gz	BHSLQKXGBUZBRV-CQSZACIVSA-N	-1	3	356.430	2.424	20	30		FEEDHM
CCN(C[C@H](C)C#N)C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1	ZINC000736511210	598684482	/nfs/dbraw/zinc/68/44/82/598684482.db2.gz	BHSLQKXGBUZBRV-CQSZACIVSA-N	-1	3	356.430	2.424	20	30		FEEDHM
C#CCCS(=O)(=O)[N-]C1(c2noc([C@@H]3CCCO3)n2)CCCCCC1	ZINC000808303105	674450974	/nfs/dbraw/zinc/45/09/74/674450974.db2.gz	RZPQZAGBWCXEHC-AWEZNQCLSA-N	-1	3	367.471	2.413	20	30		FEEDHM
CC(C)CCN(CCC#N)C(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1	ZINC000735803710	598752202	/nfs/dbraw/zinc/75/22/02/598752202.db2.gz	IRHLYNOFFUEZTI-AWEZNQCLSA-N	-1	3	356.430	2.422	20	30		FEEDHM
C=CCc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)cn2)cc(OC)c1OC	ZINC000735443171	598804547	/nfs/dbraw/zinc/80/45/47/598804547.db2.gz	RUPWWVCHAJXZLS-UHFFFAOYSA-N	-1	3	366.381	2.260	20	30		FEEDHM
C=CCc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)cn2)cc(OC)c1OC	ZINC000735443171	598804548	/nfs/dbraw/zinc/80/45/48/598804548.db2.gz	RUPWWVCHAJXZLS-UHFFFAOYSA-N	-1	3	366.381	2.260	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)CN1C[C@H](CCC)CC1=O	ZINC000819745961	599328966	/nfs/dbraw/zinc/32/89/66/599328966.db2.gz	WUYFDFHUQYKHGK-OAHLLOKOSA-N	-1	3	354.458	2.461	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)CN1C[C@H](CCC)CC1=O	ZINC000819745961	599328968	/nfs/dbraw/zinc/32/89/68/599328968.db2.gz	WUYFDFHUQYKHGK-OAHLLOKOSA-N	-1	3	354.458	2.461	20	30		FEEDHM
COc1ccc(C#N)cc1CSc1nc(C)nc(C)c1-c1nnn[n-]1	ZINC000821769281	607378172	/nfs/dbraw/zinc/37/81/72/607378172.db2.gz	GDSMHBNPMCRACY-UHFFFAOYSA-N	-1	3	353.411	2.446	20	30		FEEDHM
COc1ccc(C#N)cc1CSc1nc(C)nc(C)c1-c1nn[n-]n1	ZINC000821769281	607378174	/nfs/dbraw/zinc/37/81/74/607378174.db2.gz	GDSMHBNPMCRACY-UHFFFAOYSA-N	-1	3	353.411	2.446	20	30		FEEDHM
N#Cc1cccnc1N1CCN(c2c(Cl)cccc2-c2nnn[n-]2)CC1	ZINC000822842616	599468110	/nfs/dbraw/zinc/46/81/10/599468110.db2.gz	QIAXPHGVWCQDNH-UHFFFAOYSA-N	-1	3	366.816	2.113	20	30		FEEDHM
N#Cc1cccnc1N1CCN(c2c(Cl)cccc2-c2nn[n-]n2)CC1	ZINC000822842616	599468112	/nfs/dbraw/zinc/46/81/12/599468112.db2.gz	QIAXPHGVWCQDNH-UHFFFAOYSA-N	-1	3	366.816	2.113	20	30		FEEDHM
N#Cc1ccc(C(=O)OCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)cc1	ZINC000822825665	599648814	/nfs/dbraw/zinc/64/88/14/599648814.db2.gz	KUOBYCKDLBVHIF-UHFFFAOYSA-N	-1	3	373.332	2.145	20	30		FEEDHM
N#Cc1ccc(C(=O)OCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)cc1	ZINC000822825665	599648815	/nfs/dbraw/zinc/64/88/15/599648815.db2.gz	KUOBYCKDLBVHIF-UHFFFAOYSA-N	-1	3	373.332	2.145	20	30		FEEDHM
C#CCOc1ccc(C(=O)OCc2cc(-c3nnn[n-]3)ccc2F)cc1	ZINC000819709957	599664673	/nfs/dbraw/zinc/66/46/73/599664673.db2.gz	UVRPQKIEWJDOQP-UHFFFAOYSA-N	-1	3	352.325	2.375	20	30		FEEDHM
C#CCOc1ccc(C(=O)OCc2cc(-c3nn[n-]n3)ccc2F)cc1	ZINC000819709957	599664674	/nfs/dbraw/zinc/66/46/74/599664674.db2.gz	UVRPQKIEWJDOQP-UHFFFAOYSA-N	-1	3	352.325	2.375	20	30		FEEDHM
C#CCN1CCC(C(=O)N[C@@H](CC(=O)[O-])c2ccc(SC)cc2)CC1	ZINC000736078617	599845338	/nfs/dbraw/zinc/84/53/38/599845338.db2.gz	CHLFPYPOCCVAEE-KRWDZBQOSA-N	-1	3	360.479	2.386	20	30		FEEDHM
Cc1nc(CN2CCCN([C@@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)oc1C	ZINC000738858428	600570108	/nfs/dbraw/zinc/57/01/08/600570108.db2.gz	RNNXXBMEDWPINA-LJQANCHMSA-N	-1	3	368.437	2.497	20	30		FEEDHM
Cc1nsc(N2CCCN([C@@H](C(=O)[O-])c3cccc(C#N)c3)CC2)n1	ZINC000833024313	601322511	/nfs/dbraw/zinc/32/25/11/601322511.db2.gz	YQJYOVHDLWSWMU-OAHLLOKOSA-N	-1	3	357.439	2.056	20	30		FEEDHM
N#CC1(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)CCCC1	ZINC000826379841	607525575	/nfs/dbraw/zinc/52/55/75/607525575.db2.gz	DUSNWGKSWWBTHO-UHFFFAOYSA-N	-1	3	361.749	2.451	20	30		FEEDHM
N#CC1(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)CCCC1	ZINC000826379841	607525577	/nfs/dbraw/zinc/52/55/77/607525577.db2.gz	DUSNWGKSWWBTHO-UHFFFAOYSA-N	-1	3	361.749	2.451	20	30		FEEDHM
O=C(C#Cc1ccccc1)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1	ZINC000833091871	601777098	/nfs/dbraw/zinc/77/70/98/601777098.db2.gz	GYSVYHLACXCJAK-JOCHJYFZSA-N	-1	3	362.429	2.274	20	30		FEEDHM
CC(C)[C@](C)(CNC(=O)[O-])NCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000738773715	603080164	/nfs/dbraw/zinc/08/01/64/603080164.db2.gz	VBLJGDCXPMYONS-INIZCTEOSA-N	-1	3	352.822	2.422	20	30		FEEDHM
COCCN(CC(=O)C(C#N)c1nc2cc(F)ccc2s1)C(=O)[O-]	ZINC000739813763	603171211	/nfs/dbraw/zinc/17/12/11/603171211.db2.gz	OFYJUGGTGHZJCD-SNVBAGLBSA-N	-1	3	351.359	2.238	20	30		FEEDHM
Cc1csc(=NC[C@H]2CCCO2)n1N=Cc1ccc(-c2nnn[n-]2)cc1	ZINC000826320135	607634471	/nfs/dbraw/zinc/63/44/71/607634471.db2.gz	HYWPQWMSOUOXMF-OAHLLOKOSA-N	-1	3	369.454	2.000	20	30		FEEDHM
Cc1csc(=NC[C@H]2CCCO2)n1N=Cc1ccc(-c2nn[n-]n2)cc1	ZINC000826320135	607634473	/nfs/dbraw/zinc/63/44/73/607634473.db2.gz	HYWPQWMSOUOXMF-OAHLLOKOSA-N	-1	3	369.454	2.000	20	30		FEEDHM
COc1ccccc1NC(=O)C(C#N)C(=O)[C@@H]1CCC[C@H](NC(=O)[O-])C1	ZINC000829637871	604221840	/nfs/dbraw/zinc/22/18/40/604221840.db2.gz	IPSCCZUUFYGENR-FRRDWIJNSA-N	-1	3	359.382	2.169	20	30		FEEDHM
C[C@](CNC(=O)[O-])(NCC(=O)Nc1cc(Cl)ccc1C#N)C1CC1	ZINC000824954247	604340904	/nfs/dbraw/zinc/34/09/04/604340904.db2.gz	YZMJGDLVEVBYQD-MRXNPFEDSA-N	-1	3	350.806	2.176	20	30		FEEDHM
N#Cc1cccc(C2(NC[C@H](O)[C@H](Cc3ccccc3)NC(=O)[O-])CC2)c1	ZINC000833978866	605968493	/nfs/dbraw/zinc/96/84/93/605968493.db2.gz	ZJNXRHJIQKSAIN-OALUTQOASA-N	-1	3	365.433	2.377	20	30		FEEDHM
COC(=O)[C@@H](N[C@H](C)c1ccc(C#N)cc1)c1cccc(-c2nnn[n-]2)c1	ZINC000821641108	606299329	/nfs/dbraw/zinc/29/93/29/606299329.db2.gz	WIJVRVYSQBRLDR-PXAZEXFGSA-N	-1	3	362.393	2.303	20	30		FEEDHM
COC(=O)[C@@H](N[C@H](C)c1ccc(C#N)cc1)c1cccc(-c2nn[n-]n2)c1	ZINC000821641108	606299331	/nfs/dbraw/zinc/29/93/31/606299331.db2.gz	WIJVRVYSQBRLDR-PXAZEXFGSA-N	-1	3	362.393	2.303	20	30		FEEDHM
COC(=O)[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1cccc(-c2nnn[n-]2)c1	ZINC000821641109	606299421	/nfs/dbraw/zinc/29/94/21/606299421.db2.gz	WIJVRVYSQBRLDR-SJCJKPOMSA-N	-1	3	362.393	2.303	20	30		FEEDHM
COC(=O)[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1cccc(-c2nn[n-]n2)c1	ZINC000821641109	606299423	/nfs/dbraw/zinc/29/94/23/606299423.db2.gz	WIJVRVYSQBRLDR-SJCJKPOMSA-N	-1	3	362.393	2.303	20	30		FEEDHM
COC(=O)[C@@H](N[C@H](C)c1ccc(-c2nnn[n-]2)cc1)c1cccc(C#N)c1	ZINC000821640640	606299505	/nfs/dbraw/zinc/29/95/05/606299505.db2.gz	MAOCNAINNFYYHO-PXAZEXFGSA-N	-1	3	362.393	2.303	20	30		FEEDHM
COC(=O)[C@@H](N[C@H](C)c1ccc(-c2nn[n-]n2)cc1)c1cccc(C#N)c1	ZINC000821640640	606299507	/nfs/dbraw/zinc/29/95/07/606299507.db2.gz	MAOCNAINNFYYHO-PXAZEXFGSA-N	-1	3	362.393	2.303	20	30		FEEDHM
COC(=O)[C@H](N[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1cccc(C#N)c1	ZINC000821640200	606309601	/nfs/dbraw/zinc/30/96/01/606309601.db2.gz	CMWCJQOGQPBOOF-SJKOYZFVSA-N	-1	3	362.393	2.303	20	30		FEEDHM
COC(=O)[C@H](N[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1cccc(C#N)c1	ZINC000821640200	606309602	/nfs/dbraw/zinc/30/96/02/606309602.db2.gz	CMWCJQOGQPBOOF-SJKOYZFVSA-N	-1	3	362.393	2.303	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Cn1cc2ccccc2n1	ZINC000819743335	606315985	/nfs/dbraw/zinc/31/59/85/606315985.db2.gz	HCLGDELTGQYQIL-UHFFFAOYSA-N	-1	3	373.420	2.431	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Cn1cc2ccccc2n1	ZINC000819743335	606315986	/nfs/dbraw/zinc/31/59/86/606315986.db2.gz	HCLGDELTGQYQIL-UHFFFAOYSA-N	-1	3	373.420	2.431	20	30		FEEDHM
N#Cc1ccccc1S(=O)(=O)Oc1ccc(-c2nnn[n-]2)cc1Cl	ZINC000822842354	606378876	/nfs/dbraw/zinc/37/88/76/606378876.db2.gz	DREVANDFBIYCCA-UHFFFAOYSA-N	-1	3	361.770	2.159	20	30		FEEDHM
N#Cc1ccccc1S(=O)(=O)Oc1ccc(-c2nn[n-]n2)cc1Cl	ZINC000822842354	606378877	/nfs/dbraw/zinc/37/88/77/606378877.db2.gz	DREVANDFBIYCCA-UHFFFAOYSA-N	-1	3	361.770	2.159	20	30		FEEDHM
N#Cc1cccc(CC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)c1	ZINC000822837554	606490062	/nfs/dbraw/zinc/49/00/62/606490062.db2.gz	NWFSDUPTLQAOJT-UHFFFAOYSA-N	-1	3	350.407	2.470	20	30		FEEDHM
N#Cc1cccc(CC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)c1	ZINC000822837554	606490064	/nfs/dbraw/zinc/49/00/64/606490064.db2.gz	NWFSDUPTLQAOJT-UHFFFAOYSA-N	-1	3	350.407	2.470	20	30		FEEDHM
N#CCOc1cc(F)ccc1NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F	ZINC000822811516	606746327	/nfs/dbraw/zinc/74/63/27/606746327.db2.gz	ZTLSQSYCKRZJIH-UHFFFAOYSA-N	-1	3	374.282	2.439	20	30		FEEDHM
N#CCOc1cc(F)ccc1NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F	ZINC000822811516	606746330	/nfs/dbraw/zinc/74/63/30/606746330.db2.gz	ZTLSQSYCKRZJIH-UHFFFAOYSA-N	-1	3	374.282	2.439	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCCc1ccncc1	ZINC000819745535	606823361	/nfs/dbraw/zinc/82/33/61/606823361.db2.gz	HVXLMQJITISYTO-UHFFFAOYSA-N	-1	3	363.425	2.202	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCCc1ccncc1	ZINC000819745535	606823362	/nfs/dbraw/zinc/82/33/62/606823362.db2.gz	HVXLMQJITISYTO-UHFFFAOYSA-N	-1	3	363.425	2.202	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H]1CCCc2n[nH]cc21	ZINC000819743636	606902250	/nfs/dbraw/zinc/90/22/50/606902250.db2.gz	MYFXTDGHHRTDFS-HNNXBMFYSA-N	-1	3	363.425	2.225	20	30		FEEDHM
CCc1nnc(NCc2ccc(C#N)cc2F)c(-c2nnn[n-]2)c1CC	ZINC000821542304	606933084	/nfs/dbraw/zinc/93/30/84/606933084.db2.gz	OGRDXSPSWGCBEX-UHFFFAOYSA-N	-1	3	352.377	2.404	20	30		FEEDHM
CCc1nnc(NCc2ccc(C#N)cc2F)c(-c2nn[n-]n2)c1CC	ZINC000821542304	606933086	/nfs/dbraw/zinc/93/30/86/606933086.db2.gz	OGRDXSPSWGCBEX-UHFFFAOYSA-N	-1	3	352.377	2.404	20	30		FEEDHM
C#CCOc1cccc(OCc2cccc(C(=O)OC)c2-c2nnn[n-]2)c1	ZINC000823861951	607889841	/nfs/dbraw/zinc/88/98/41/607889841.db2.gz	UWHMSPINDMKTSJ-UHFFFAOYSA-N	-1	3	364.361	2.244	20	30		FEEDHM
C#CCOc1cccc(OCc2cccc(C(=O)OC)c2-c2nn[n-]n2)c1	ZINC000823861951	607889842	/nfs/dbraw/zinc/88/98/42/607889842.db2.gz	UWHMSPINDMKTSJ-UHFFFAOYSA-N	-1	3	364.361	2.244	20	30		FEEDHM
C=C(C)[C@H](CC(=O)O[C@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1)OCC	ZINC000823872995	607920147	/nfs/dbraw/zinc/92/01/47/607920147.db2.gz	GJCJFFTXWDTUNV-DOMZBBRYSA-N	-1	3	373.413	2.108	20	30		FEEDHM
C=C(C)[C@H](CC(=O)O[C@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1)OCC	ZINC000823872995	607920148	/nfs/dbraw/zinc/92/01/48/607920148.db2.gz	GJCJFFTXWDTUNV-DOMZBBRYSA-N	-1	3	373.413	2.108	20	30		FEEDHM
N#Cc1cc(NC(=O)c2cccc(OCC(F)F)n2)ccc1-c1nnn[n-]1	ZINC000826384532	608028238	/nfs/dbraw/zinc/02/82/38/608028238.db2.gz	YYIABVFZNZPMJN-UHFFFAOYSA-N	-1	3	371.307	2.030	20	30		FEEDHM
N#Cc1cc(NC(=O)c2cccc(OCC(F)F)n2)ccc1-c1nn[n-]n1	ZINC000826384532	608028239	/nfs/dbraw/zinc/02/82/39/608028239.db2.gz	YYIABVFZNZPMJN-UHFFFAOYSA-N	-1	3	371.307	2.030	20	30		FEEDHM
CCN(C(=O)Cc1cccc(OCC#N)c1)c1ccc(-c2nnn[n-]2)cc1	ZINC000825377238	608028974	/nfs/dbraw/zinc/02/89/74/608028974.db2.gz	YOIMVKJUURKNKG-UHFFFAOYSA-N	-1	3	362.393	2.365	20	30		FEEDHM
CCN(C(=O)Cc1cccc(OCC#N)c1)c1ccc(-c2nn[n-]n2)cc1	ZINC000825377238	608028975	/nfs/dbraw/zinc/02/89/75/608028975.db2.gz	YOIMVKJUURKNKG-UHFFFAOYSA-N	-1	3	362.393	2.365	20	30		FEEDHM
N#Cc1cc(CN2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)ccc1F	ZINC000826383935	608070655	/nfs/dbraw/zinc/07/06/55/608070655.db2.gz	YDLFRZZHSTZUEN-GOSISDBHSA-N	-1	3	364.384	2.451	20	30		FEEDHM
N#Cc1cc(CN2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)ccc1F	ZINC000826383935	608070656	/nfs/dbraw/zinc/07/06/56/608070656.db2.gz	YDLFRZZHSTZUEN-GOSISDBHSA-N	-1	3	364.384	2.451	20	30		FEEDHM
N#Cc1ccc(C(=O)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)s1	ZINC000826384143	608082263	/nfs/dbraw/zinc/08/22/63/608082263.db2.gz	IKJWXTCUZUNANY-CQSZACIVSA-N	-1	3	366.406	2.014	20	30		FEEDHM
N#Cc1ccc(C(=O)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)s1	ZINC000826384143	608082264	/nfs/dbraw/zinc/08/22/64/608082264.db2.gz	IKJWXTCUZUNANY-CQSZACIVSA-N	-1	3	366.406	2.014	20	30		FEEDHM
COCCOc1ccc(C#N)cc1NC(=O)c1cccc(-c2nnn[n-]2)c1	ZINC000826162943	608139420	/nfs/dbraw/zinc/13/94/20/608139420.db2.gz	ZGYMALWXLLJTCH-UHFFFAOYSA-N	-1	3	364.365	2.016	20	30		FEEDHM
COCCOc1ccc(C#N)cc1NC(=O)c1cccc(-c2nn[n-]n2)c1	ZINC000826162943	608139421	/nfs/dbraw/zinc/13/94/21/608139421.db2.gz	ZGYMALWXLLJTCH-UHFFFAOYSA-N	-1	3	364.365	2.016	20	30		FEEDHM
COCCn1nc(C)c(C(=O)C=Cc2ccccc2-c2nnn[n-]2)c1C	ZINC000826164101	608230986	/nfs/dbraw/zinc/23/09/86/608230986.db2.gz	ZVKVDKBIWAULFS-HJWRWDBZSA-N	-1	3	352.398	2.223	20	30		FEEDHM
COCCn1nc(C)c(C(=O)C=Cc2ccccc2-c2nn[n-]n2)c1C	ZINC000826164101	608230988	/nfs/dbraw/zinc/23/09/88/608230988.db2.gz	ZVKVDKBIWAULFS-HJWRWDBZSA-N	-1	3	352.398	2.223	20	30		FEEDHM
Cc1cc(-c2nnn[n-]2)ccc1OS(=O)(=O)Cc1cc(C#N)ccc1F	ZINC000826255236	608330248	/nfs/dbraw/zinc/33/02/48/608330248.db2.gz	PZFVBKWXHSNCOP-UHFFFAOYSA-N	-1	3	373.369	2.095	20	30		FEEDHM
Cc1cc(-c2nn[n-]n2)ccc1OS(=O)(=O)Cc1cc(C#N)ccc1F	ZINC000826255236	608330250	/nfs/dbraw/zinc/33/02/50/608330250.db2.gz	PZFVBKWXHSNCOP-UHFFFAOYSA-N	-1	3	373.369	2.095	20	30		FEEDHM
C=CCCO[C@@H](C)C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1	ZINC000823898955	608482651	/nfs/dbraw/zinc/48/26/51/608482651.db2.gz	GOQXCPDJEMMBLI-AWEZNQCLSA-N	-1	3	353.426	2.464	20	30		FEEDHM
C=CCCO[C@@H](C)C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1	ZINC000823898955	608482652	/nfs/dbraw/zinc/48/26/52/608482652.db2.gz	GOQXCPDJEMMBLI-AWEZNQCLSA-N	-1	3	353.426	2.464	20	30		FEEDHM
O=c1ccc2c([nH]1)CCCC2=NNc1cc(-c2nn[n-]n2)cc(Cl)n1	ZINC000826501656	608539599	/nfs/dbraw/zinc/53/95/99/608539599.db2.gz	ARSQBAMFFRMYMJ-UHFFFAOYSA-N	-1	3	356.777	2.168	20	30		FEEDHM
Cc1cc(C(=O)O[C@@H](C)C(C)(C)C#N)nn1-c1cccc(-c2nnn[n-]2)c1	ZINC000826260790	609152200	/nfs/dbraw/zinc/15/22/00/609152200.db2.gz	DXGACRYEFFJPJI-LBPRGKRZSA-N	-1	3	365.397	2.456	20	30		FEEDHM
Cc1cc(C(=O)O[C@@H](C)C(C)(C)C#N)nn1-c1cccc(-c2nn[n-]n2)c1	ZINC000826260790	609152201	/nfs/dbraw/zinc/15/22/01/609152201.db2.gz	DXGACRYEFFJPJI-LBPRGKRZSA-N	-1	3	365.397	2.456	20	30		FEEDHM
CC(=NNc1cccc(S(C)(=O)=O)c1)c1ccc(-c2nnn[n-]2)c(F)c1	ZINC000823961994	609160677	/nfs/dbraw/zinc/16/06/77/609160677.db2.gz	COVXAHBRBZZRCR-UHFFFAOYSA-N	-1	3	374.401	2.245	20	30		FEEDHM
CC(=NNc1cccc(S(C)(=O)=O)c1)c1ccc(-c2nn[n-]n2)c(F)c1	ZINC000823961994	609160678	/nfs/dbraw/zinc/16/06/78/609160678.db2.gz	COVXAHBRBZZRCR-UHFFFAOYSA-N	-1	3	374.401	2.245	20	30		FEEDHM
C=CCOCCNC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C	ZINC000823925068	609176832	/nfs/dbraw/zinc/17/68/32/609176832.db2.gz	CXSCBYLCXVBLGX-UHFFFAOYSA-N	-1	3	366.425	2.207	20	30		FEEDHM
CC(=O)c1ccc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c(F)c1	ZINC000824019847	609187642	/nfs/dbraw/zinc/18/76/42/609187642.db2.gz	QHRQPOKNNGSSPI-UHFFFAOYSA-N	-1	3	350.313	2.332	20	30		FEEDHM
CC(=O)c1ccc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c(F)c1	ZINC000824019847	609187643	/nfs/dbraw/zinc/18/76/43/609187643.db2.gz	QHRQPOKNNGSSPI-UHFFFAOYSA-N	-1	3	350.313	2.332	20	30		FEEDHM
O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1ccnc(Cl)c1	ZINC000826403122	609442474	/nfs/dbraw/zinc/44/24/74/609442474.db2.gz	KKIPLTHPYMZDET-IHWYPQMZSA-N	-1	3	351.757	2.459	20	30		FEEDHM
O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1ccnc(Cl)c1	ZINC000826403122	609442476	/nfs/dbraw/zinc/44/24/76/609442476.db2.gz	KKIPLTHPYMZDET-IHWYPQMZSA-N	-1	3	351.757	2.459	20	30		FEEDHM
Fc1ccc(F)c2c1OCCC2=NNCc1ccc(-c2nnn[n-]2)cc1	ZINC000826375463	609470521	/nfs/dbraw/zinc/47/05/21/609470521.db2.gz	OOMNCUJAXLZYTI-UHFFFAOYSA-N	-1	3	356.336	2.421	20	30		FEEDHM
Fc1ccc(F)c2c1OCCC2=NNCc1ccc(-c2nn[n-]n2)cc1	ZINC000826375463	609470522	/nfs/dbraw/zinc/47/05/22/609470522.db2.gz	OOMNCUJAXLZYTI-UHFFFAOYSA-N	-1	3	356.336	2.421	20	30		FEEDHM
C#C[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]CC=C)c1)C(C)(C)C	ZINC000813774613	674779508	/nfs/dbraw/zinc/77/95/08/674779508.db2.gz	IJLDULYWQFLATJ-OAHLLOKOSA-N	-1	3	352.431	2.068	20	30		FEEDHM
C#C[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)C(C)(C)C	ZINC000813777691	674779697	/nfs/dbraw/zinc/77/96/97/674779697.db2.gz	KZYBOIZGUFXJBZ-HNNXBMFYSA-N	-1	3	352.431	2.044	20	30		FEEDHM
CC[C@@]1(C)NC(=O)N([N-]C(=O)c2sc3ccc(C#N)cc3c2C)C1=O	ZINC000816542069	675063878	/nfs/dbraw/zinc/06/38/78/675063878.db2.gz	BTVRPKHBLGNBPF-QGZVFWFLSA-N	-1	3	356.407	2.447	20	30		FEEDHM
Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N[C@H]1CCN([O-])C1=O	ZINC000816691057	675073482	/nfs/dbraw/zinc/07/34/82/675073482.db2.gz	JVHYDXODIPDQHX-NSHDSACASA-N	-1	3	351.815	2.492	20	30		FEEDHM
Cc1csc(SCc2ccc(C(=O)N[C@@H]3CCN([O-])C3=O)cc2)n1	ZINC000816693014	675073502	/nfs/dbraw/zinc/07/35/02/675073502.db2.gz	AEAUXXLUMUPAMN-CYBMUJFWSA-N	-1	3	363.464	2.464	20	30		FEEDHM
O=C(N[C@@H]1CCCN([O-])C1=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F	ZINC000816756250	675077965	/nfs/dbraw/zinc/07/79/65/675077965.db2.gz	SWUVXZVWRGHTDB-QJPTWQEYSA-N	-1	3	358.316	2.185	20	30		FEEDHM
Cc1cc(CCC(=O)N[C@H]2CCCN([O-])C2=O)ccc1Br	ZINC000816759456	675078327	/nfs/dbraw/zinc/07/83/27/675078327.db2.gz	NBUJZDIULLOKPK-ZDUSSCGKSA-N	-1	3	355.232	2.187	20	30		FEEDHM
COC(=O)c1cncc(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)c1	ZINC000574954079	671288462	/nfs/dbraw/zinc/28/84/62/671288462.db2.gz	ZVCSOPXFMNAUBY-UHFFFAOYSA-N	-1	3	351.771	2.194	20	30		FEEDHM
N#CC1(CS(=O)(=O)[N-][C@H]([C@@H]2CCCO2)C2(CO)CCC2)CCCCC1	ZINC000581636724	671920207	/nfs/dbraw/zinc/92/02/07/671920207.db2.gz	MWQYKJUUWGMIIM-JKSUJKDBSA-N	-1	3	370.515	2.090	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H](C)[C@H](C)C2)ccc1F	ZINC000132125834	672095009	/nfs/dbraw/zinc/09/50/09/672095009.db2.gz	VDTBUFDDYVSUFB-CHWSQXEVSA-N	-1	3	354.447	2.408	20	30		FEEDHM
COc1ccccc1[C@@H](CO)[N-]S(=O)(=O)c1cccc(Cl)c1C#N	ZINC000611021887	676011752	/nfs/dbraw/zinc/01/17/52/676011752.db2.gz	MHUKVBXJRZNPPS-CQSZACIVSA-N	-1	3	366.826	2.232	20	30		FEEDHM
C=C[C@@H](C)NC(=O)c1c[n-]c2ccc(I)cc2c1=O	ZINC000611305668	676031180	/nfs/dbraw/zinc/03/11/80/676031180.db2.gz	JRAYHQPRXGTFRG-MRVPVSSYSA-N	-1	3	368.174	2.437	20	30		FEEDHM
N#CC1(CS(=O)(=O)[N-][C@@H]2CCc3ccccc3NC2=O)CCCCC1	ZINC000594474698	673081168	/nfs/dbraw/zinc/08/11/68/673081168.db2.gz	QUJUJBWPVFBJKW-MRXNPFEDSA-N	-1	3	361.467	2.333	20	30		FEEDHM
CCOC(=O)[C@H]([N-]S(=O)(=O)N(CC)C[C@@H](C)C#N)C1CCCCCC1	ZINC000594482313	673086305	/nfs/dbraw/zinc/08/63/05/673086305.db2.gz	TZQYLQZIWJSVJG-GOEBONIOSA-N	-1	3	373.519	2.204	20	30		FEEDHM
C=C(Br)COC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1	ZINC000725991432	673100407	/nfs/dbraw/zinc/10/04/07/673100407.db2.gz	JMWMZDVHXFGXKP-UHFFFAOYSA-N	-1	3	352.181	2.263	20	30		FEEDHM
COC(=O)c1nscc1S(=O)(=O)[N-]C(C)(C)c1cccc(C#N)c1	ZINC000594813147	673150874	/nfs/dbraw/zinc/15/08/74/673150874.db2.gz	MUDDLJIZVDUKCA-UHFFFAOYSA-N	-1	3	365.436	2.015	20	30		FEEDHM
COC(=O)c1c(F)cccc1S(=O)(=O)[N-]CC1(C#N)CCCCC1	ZINC000594870004	673172578	/nfs/dbraw/zinc/17/25/78/673172578.db2.gz	XKXQTMLBNUMXSH-UHFFFAOYSA-N	-1	3	354.403	2.365	20	30		FEEDHM
CN(C)c1ccc(NC(=S)NN=C2C(=O)Nc3cc([O-])ccc32)cc1	ZINC000729637220	673242055	/nfs/dbraw/zinc/24/20/55/673242055.db2.gz	WWTPAOFBUQHYFR-UHFFFAOYSA-N	-1	3	355.423	2.101	20	30		FEEDHM
CCN(CCC#N)C(=O)COC(=O)c1cccc(Br)c1[O-]	ZINC000730365518	673277969	/nfs/dbraw/zinc/27/79/69/673277969.db2.gz	UELYGYYGQVJDMK-UHFFFAOYSA-N	-1	3	355.188	2.074	20	30		FEEDHM
CS(=O)(=O)[N-]c1ccccc1NC(=O)Cc1ccc(OCC#N)cc1	ZINC000732055716	673352358	/nfs/dbraw/zinc/35/23/58/673352358.db2.gz	AAYOBXYTUWPPEI-UHFFFAOYSA-N	-1	3	359.407	2.142	20	30		FEEDHM
C[N-]S(=O)(=O)c1cc(C(=O)NC(C)(C)c2cccc(C#N)c2)c(C)o1	ZINC000597949948	673523016	/nfs/dbraw/zinc/52/30/16/673523016.db2.gz	PMZBJTVGLBUGTJ-UHFFFAOYSA-N	-1	3	361.423	2.033	20	30		FEEDHM
C#CCOc1ccc([N-]S(=O)(=O)c2ccc(N(C)C(C)=O)cc2)cc1	ZINC000742029896	673704488	/nfs/dbraw/zinc/70/44/88/673704488.db2.gz	NYQMBPAHQYUQLF-UHFFFAOYSA-N	-1	3	358.419	2.482	20	30		FEEDHM
C[C@H](CC(=O)Nc1ccccc1F)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000742466177	673728815	/nfs/dbraw/zinc/72/88/15/673728815.db2.gz	HTVMUZPPAIDYHI-LLVKDONJSA-N	-1	3	361.398	2.282	20	30		FEEDHM
O=C1CN(N=Cc2ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc2)C(=O)[N-]1	ZINC000744810134	673812066	/nfs/dbraw/zinc/81/20/66/673812066.db2.gz	MABRDRZQGBJVNR-JTQLQIEISA-N	-1	3	369.221	2.444	20	30		FEEDHM
C#CCN1C(=O)C(=N[N-]c2cnccn2)c2cc(Br)ccc21	ZINC000747047035	673902944	/nfs/dbraw/zinc/90/29/44/673902944.db2.gz	OCWXOIBCXPAWDK-UHFFFAOYSA-N	-1	3	356.183	2.035	20	30		FEEDHM
Cc1cc(CC(C)(C)C(=O)N[C@H]2CCN([O-])C2=O)ccc1Br	ZINC000820136969	675338897	/nfs/dbraw/zinc/33/88/97/675338897.db2.gz	HYHPZRJHPRUNOP-ZDUSSCGKSA-N	-1	3	369.259	2.433	20	30		FEEDHM
O=C(Cc1csc2ccc(Br)cc12)N[C@@H]1CCN([O-])C1=O	ZINC000820144326	675338955	/nfs/dbraw/zinc/33/89/55/675338955.db2.gz	STFJWZWHCOJCNN-LLVKDONJSA-N	-1	3	369.240	2.313	20	30		FEEDHM
O=C(N[C@H]1CCN([O-])C1=O)c1cc(C(F)(F)F)ccc1Br	ZINC000820150275	675339682	/nfs/dbraw/zinc/33/96/82/675339682.db2.gz	XGPDARQQOPOVQC-VIFPVBQESA-N	-1	3	367.121	2.188	20	30		FEEDHM
O=C(N[C@H]1CCN([O-])C1=O)c1ccc(Br)c(C(F)(F)F)c1	ZINC000820149588	675339856	/nfs/dbraw/zinc/33/98/56/675339856.db2.gz	QACOVNKKISBFER-VIFPVBQESA-N	-1	3	367.121	2.188	20	30		FEEDHM
C=CCc1ccccc1OC[C@H](O)CN1CCSC[C@H]1CC(=O)[O-]	ZINC000568063580	675348261	/nfs/dbraw/zinc/34/82/61/675348261.db2.gz	MHNZCWDJLNGGHV-HZPDHXFCSA-N	-1	3	351.468	2.047	20	30		FEEDHM
C=CCCC[C@H](C)NC(=O)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1	ZINC000823894152	675575731	/nfs/dbraw/zinc/57/57/31/675575731.db2.gz	IVHSLAIFUMIWQF-JTQLQIEISA-N	-1	3	362.821	2.320	20	30		FEEDHM
C=CCCC[C@H](C)NC(=O)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1	ZINC000823894152	675575732	/nfs/dbraw/zinc/57/57/32/675575732.db2.gz	IVHSLAIFUMIWQF-JTQLQIEISA-N	-1	3	362.821	2.320	20	30		FEEDHM
Cc1nc(SCC(=O)OCC2(C#N)CC2)c(-c2nnn[n-]2)c(C)c1C	ZINC000826327886	675686113	/nfs/dbraw/zinc/68/61/13/675686113.db2.gz	YGJBUAPJNQHJOX-UHFFFAOYSA-N	-1	3	358.427	2.126	20	30		FEEDHM
Cc1nc(SCC(=O)OCC2(C#N)CC2)c(-c2nn[n-]n2)c(C)c1C	ZINC000826327886	675686116	/nfs/dbraw/zinc/68/61/16/675686116.db2.gz	YGJBUAPJNQHJOX-UHFFFAOYSA-N	-1	3	358.427	2.126	20	30		FEEDHM
Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)ccc1-n1cnnn1	ZINC000603973455	675802594	/nfs/dbraw/zinc/80/25/94/675802594.db2.gz	MQSGGJOJFGDKSW-UHFFFAOYSA-N	-1	3	374.813	2.297	20	30		FEEDHM
N#Cc1ccc(CS(=O)(=O)[N-][C@@H](CO)c2cc(F)ccc2F)c(F)c1	ZINC000616418028	676249383	/nfs/dbraw/zinc/24/93/83/676249383.db2.gz	SCCALNRABKUXHV-INIZCTEOSA-N	-1	3	370.352	2.129	20	30		FEEDHM
CCCCCCCCNC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000754892474	680387321	/nfs/dbraw/zinc/38/73/21/680387321.db2.gz	QCZTUOSEFWBMIY-UHFFFAOYSA-N	-1	3	351.472	2.202	20	30		FEEDHM
N#Cc1cnc([N-]C(=O)c2sccc2S(=O)(=O)N2CCCC2)s1	ZINC000759631747	680660090	/nfs/dbraw/zinc/66/00/90/680660090.db2.gz	ABMBPSBMNHEFHW-UHFFFAOYSA-N	-1	3	368.465	2.113	20	30		FEEDHM
C=CCn1c(=O)c2ccc(-c3nc([C@H]4CCCN4)no3)cc2[n-]c1=S	ZINC000842646202	680956991	/nfs/dbraw/zinc/95/69/91/680956991.db2.gz	PRZFFYHFAZSROP-GFCCVEGCSA-N	-1	3	355.423	2.346	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H]1CCN(CC(F)F)C1	ZINC000774706583	681223531	/nfs/dbraw/zinc/22/35/31/681223531.db2.gz	MVEVFLKDGOEVAZ-LBPRGKRZSA-N	-1	3	353.369	2.091	20	30		FEEDHM
C=CCCCCCNC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000848293233	681509850	/nfs/dbraw/zinc/50/98/50/681509850.db2.gz	CHVXTKXARYJYCF-CQSZACIVSA-N	-1	3	363.483	2.366	20	30		FEEDHM
C=CCOCCC[N-]S(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C	ZINC000849459501	681745710	/nfs/dbraw/zinc/74/57/10/681745710.db2.gz	VNESMLNZZZFKLQ-UHFFFAOYSA-N	-1	3	367.876	2.368	20	30		FEEDHM
CC(C)(C#N)CS(=O)(=O)[N-][C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O	ZINC000914307408	685503420	/nfs/dbraw/zinc/50/34/20/685503420.db2.gz	MHUCSTZZAHNQGU-ZDUSSCGKSA-N	-1	3	373.837	2.054	20	30		FEEDHM
C[N-]S(=O)(=O)c1cc(C(=O)OCc2ccc(C#N)cc2Cl)c(C)o1	ZINC000784234154	682209032	/nfs/dbraw/zinc/20/90/32/682209032.db2.gz	UJYARSYXZDVVPU-UHFFFAOYSA-N	-1	3	368.798	2.378	20	30		FEEDHM
Cc1nc(C)c(C([O-])=C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)s1	ZINC000916963275	685528749	/nfs/dbraw/zinc/52/87/49/685528749.db2.gz	QDVYRQSIBKNSCZ-LBPRGKRZSA-N	-1	3	357.391	2.492	20	30		FEEDHM
C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1	ZINC000852759525	682337803	/nfs/dbraw/zinc/33/78/03/682337803.db2.gz	QEXOUUKDWVMBIJ-MCIONIFRSA-N	-1	3	363.424	2.188	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)OCC[C@H]2CCCO2)ccc1F	ZINC000787632750	682469565	/nfs/dbraw/zinc/46/95/65/682469565.db2.gz	DRBDCGJXWYEVDI-CYBMUJFWSA-N	-1	3	357.403	2.016	20	30		FEEDHM
C=CCCOCC[N-]S(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C	ZINC000788659150	682547715	/nfs/dbraw/zinc/54/77/15/682547715.db2.gz	FINBDEQGLDZKJJ-UHFFFAOYSA-N	-1	3	367.876	2.368	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)C[C@@H]2CC2(C)C)ccc1F	ZINC000856460815	682785204	/nfs/dbraw/zinc/78/52/04/682785204.db2.gz	ANVLXUDVJPHEKA-ZDUSSCGKSA-N	-1	3	354.447	2.408	20	30		FEEDHM
CN(C(=O)COC(=O)c1cc([O-])cc(Br)c1)C(C)(C)C#N	ZINC000860201839	683215225	/nfs/dbraw/zinc/21/52/25/683215225.db2.gz	OKOPFTKZODORNK-UHFFFAOYSA-N	-1	3	355.188	2.072	20	30		FEEDHM
C=CCOCCOC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1	ZINC000797283459	683239864	/nfs/dbraw/zinc/23/98/64/683239864.db2.gz	NXOYZLLGOJLOSL-UHFFFAOYSA-N	-1	3	367.345	2.436	20	30		FEEDHM
CN(C)Cc1csc(C[N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)n1	ZINC000921105519	683398234	/nfs/dbraw/zinc/39/82/34/683398234.db2.gz	UZHRBSMWWIEANN-UHFFFAOYSA-N	-1	3	370.887	2.208	20	30		FEEDHM
CN(C)[C@@H](CC[N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C(F)(F)F	ZINC000921635705	683527768	/nfs/dbraw/zinc/52/77/68/683527768.db2.gz	SZSCUKXIJGQSHZ-LBPRGKRZSA-N	-1	3	369.796	2.373	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)NC[C@H](CCC)OCC)ccc1F	ZINC000862418511	683588479	/nfs/dbraw/zinc/58/84/79/683588479.db2.gz	MLBQDZOIFLNYDP-AWEZNQCLSA-N	-1	3	372.462	2.225	20	30		FEEDHM
O=c1[n-]c(CN=Cc2cc(Br)ccc2O)nc2c1COCC2	ZINC000864348593	683840596	/nfs/dbraw/zinc/84/05/96/683840596.db2.gz	NFCFVBSXDJKBTG-FMQZQXMHSA-N	-1	3	364.199	2.342	20	30		FEEDHM
CC#CCNC(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21	ZINC000868455080	684496865	/nfs/dbraw/zinc/49/68/65/684496865.db2.gz	MIEAGKMCGUKIPF-LBPRGKRZSA-N	-1	3	353.344	2.392	20	30		FEEDHM
Cc1cc(F)c(C#N)cc1[N-]S(=O)(=O)C[C@@]1(OC(C)C)CCOC1	ZINC000872428416	684946793	/nfs/dbraw/zinc/94/67/93/684946793.db2.gz	XHYSTEOYBMGSPJ-MRXNPFEDSA-N	-1	3	356.419	2.332	20	30		FEEDHM
Cc1cc(F)c(C#N)cc1[N-]S(=O)(=O)C[C@]1(OC(C)C)CCOC1	ZINC000872428415	684946905	/nfs/dbraw/zinc/94/69/05/684946905.db2.gz	XHYSTEOYBMGSPJ-INIZCTEOSA-N	-1	3	356.419	2.332	20	30		FEEDHM
O=C(Nc1cc(F)ccc1OCC(F)(F)F)N[C@H]1CCCN([O-])C1=O	ZINC000878126401	686525825	/nfs/dbraw/zinc/52/58/25/686525825.db2.gz	WVVDAXROIACMTQ-VIFPVBQESA-N	-1	3	365.283	2.269	20	30		FEEDHM
O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)N[C@H]1CCCN([O-])C1=O	ZINC000878857891	686676051	/nfs/dbraw/zinc/67/60/51/686676051.db2.gz	NKAWYHMVLCXVJB-AWEZNQCLSA-N	-1	3	363.805	2.087	20	30		FEEDHM
CCOc1cc(Br)ccc1NC(=O)N[C@@H]1CCCN([O-])C1=O	ZINC000878956721	686700422	/nfs/dbraw/zinc/70/04/22/686700422.db2.gz	UGDDVGWHVUYWCS-LLVKDONJSA-N	-1	3	372.219	2.350	20	30		FEEDHM
Cc1c(F)c(Br)ccc1NC(=O)N[C@H]1CCCN([O-])C1=O	ZINC000880077021	686994555	/nfs/dbraw/zinc/99/45/55/686994555.db2.gz	VZBONLMTDLAGRT-JTQLQIEISA-N	-1	3	360.183	2.398	20	30		FEEDHM
C=CCSc1ccccc1C(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1	ZINC000890535352	688934896	/nfs/dbraw/zinc/93/48/96/688934896.db2.gz	QBVHAQUMXCNJAT-CYBMUJFWSA-N	-1	3	356.451	2.469	20	30		FEEDHM
CC(=O)N(c1nc(CN[C@@H]2CCCN([O-])C2=O)cs1)c1ccccc1	ZINC000895157421	689668690	/nfs/dbraw/zinc/66/86/90/689668690.db2.gz	QCGKDRUFZJEKRR-OAHLLOKOSA-N	-1	3	360.439	2.298	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(-c2nc(C3CSC3)no2)ccc1F	ZINC000896716988	689920858	/nfs/dbraw/zinc/92/08/58/689920858.db2.gz	NYQNABPSQXFNTE-UHFFFAOYSA-N	-1	3	355.416	2.170	20	30		FEEDHM
Cc1oc(C(=O)N([O-])Cc2ccc(F)cc2)cc1S(=O)(=O)N(C)C	ZINC000901372350	690641212	/nfs/dbraw/zinc/64/12/12/690641212.db2.gz	CISLSMDTZQZPIA-UHFFFAOYSA-N	-1	3	356.375	2.009	20	30		FEEDHM
C[C@H](Sc1nc(CC(=O)N([O-])Cc2ccc(F)cc2)cs1)C(N)=O	ZINC000904178792	691010247	/nfs/dbraw/zinc/01/02/47/691010247.db2.gz	USBXOLANHUZCCU-VIFPVBQESA-N	-1	3	369.443	2.209	20	30		FEEDHM
CCCCN([O-])C(=O)[C@H]1CCCN1C(=O)c1ccc(OC)cc1OC	ZINC000904209120	691013338	/nfs/dbraw/zinc/01/33/38/691013338.db2.gz	UXZLJMJSQRQLFU-OAHLLOKOSA-N	-1	3	350.415	2.326	20	30		FEEDHM
CC[C@H]([N-]S(=O)(=O)c1c(C#N)sc2ccccc21)[C@H](O)C(F)F	ZINC000907226787	691426777	/nfs/dbraw/zinc/42/67/77/691426777.db2.gz	NLNQZWPPLCQUOB-CABZTGNLSA-N	-1	3	360.407	2.456	20	30		FEEDHM
COC(=O)c1ccc(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)[n-]1	ZINC000498946211	888141546	/nfs/dbraw/zinc/14/15/46/888141546.db2.gz	LPMJLVLKYNLYOB-UHFFFAOYSA-N	-1	3	353.313	2.250	20	30		FEEDHM
CC(=O)Nc1cccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1	ZINC000015630870	539621272	/nfs/dbraw/zinc/62/12/72/539621272.db2.gz	FMPKOKGRGQBHMW-UHFFFAOYSA-N	-1	3	352.394	2.393	20	30		FEEDHM
CC(C)[C@H]([N-]S(=O)(=O)CCCCC#N)c1nc(-c2ccncc2)no1	ZINC000068909595	541640078	/nfs/dbraw/zinc/64/00/78/541640078.db2.gz	DLIXRFOJXSVTJU-AWEZNQCLSA-N	-1	3	363.443	2.442	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@@]1(C#N)CCC[C@@H](C)C1	ZINC000116812596	543617224	/nfs/dbraw/zinc/61/72/24/543617224.db2.gz	DMIKWUKJEHSFLH-IGCXYCKISA-N	-1	3	367.446	2.081	20	30		FEEDHM
C=CC[C@H](C)NC(=O)c1cc(C(C)C)nc2c1c(=O)[n-]c(=O)n2CCC	ZINC000116855861	543617623	/nfs/dbraw/zinc/61/76/23/543617623.db2.gz	AQOKCRINDMJYAM-LBPRGKRZSA-N	-1	3	358.442	2.313	20	30		FEEDHM
N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@H]1CCO[C@]2(CCSC2)C1	ZINC000127580961	544001658	/nfs/dbraw/zinc/00/16/58/544001658.db2.gz	NIIVTLPNSDPJLT-DZGCQCFKSA-N	-1	3	356.444	2.030	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)[C@@H]1COc2ccccc21	ZINC000128691190	544066924	/nfs/dbraw/zinc/06/69/24/544066924.db2.gz	DWPIPWSSMCDILA-KDOFPFPSSA-N	-1	3	365.433	2.477	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]CCN2CCc3ccccc3C2)c(F)c1	ZINC000151050275	544500022	/nfs/dbraw/zinc/50/00/22/544500022.db2.gz	BHHXVNPBDUMZKO-UHFFFAOYSA-N	-1	3	359.426	2.034	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@]3(CCSC3)C2)c(F)c1	ZINC000153008541	544722003	/nfs/dbraw/zinc/72/20/03/544722003.db2.gz	QXFPASWDXXZFPU-IUODEOHRSA-N	-1	3	356.444	2.030	20	30		FEEDHM
C=CCN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCCO2)c1	ZINC000154159720	544870904	/nfs/dbraw/zinc/87/09/04/544870904.db2.gz	PPPGXYIXTREWRN-CYBMUJFWSA-N	-1	3	372.874	2.055	20	30		FEEDHM
Cc1nc([N-]C(=O)c2c(F)cc(C#N)cc2F)sc1SCC(N)=O	ZINC000154315953	544890603	/nfs/dbraw/zinc/89/06/03/544890603.db2.gz	LEXMQDOTCVYMCF-UHFFFAOYSA-N	-1	3	368.390	2.431	20	30		FEEDHM
CCOC(=O)[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)[C@@H](C)CC	ZINC000184983307	327893256	/nfs/dbraw/zinc/89/32/56/327893256.db2.gz	QCGOKJSLYVPBGH-IINYFYTJSA-N	-1	3	358.847	2.468	20	30		FEEDHM
N#Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccnc(-n3cccn3)c2)c1	ZINC000186257397	327954074	/nfs/dbraw/zinc/95/40/74/327954074.db2.gz	GJLGEPLTWSSJRV-UHFFFAOYSA-N	-1	3	373.825	2.271	20	30		FEEDHM
Cc1nc(C#N)c(N2CCC(C(=O)NCc3ccc([O-])c(F)c3)CC2)o1	ZINC000189414123	328146761	/nfs/dbraw/zinc/14/67/61/328146761.db2.gz	FQHYTQJYTACTJR-UHFFFAOYSA-N	-1	3	358.373	2.232	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]Cc2cccnc2OCC(F)F)c(F)c1	ZINC000121966762	326378599	/nfs/dbraw/zinc/37/85/99/326378599.db2.gz	SJFPCWPKVBGLPH-UHFFFAOYSA-N	-1	3	371.340	2.215	20	30		FEEDHM
N#Cc1ccc(OCC[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)cc1	ZINC000122320005	326392237	/nfs/dbraw/zinc/39/22/37/326392237.db2.gz	JNITXLGUICUGED-UHFFFAOYSA-N	-1	3	361.810	2.441	20	30		FEEDHM
COc1cccc(O[C@H](C)C[N-]S(=O)(=O)c2ccc(F)cc2C#N)c1	ZINC000122632838	326404007	/nfs/dbraw/zinc/40/40/07/326404007.db2.gz	NMLPTRCHCVHDPF-GFCCVEGCSA-N	-1	3	364.398	2.452	20	30		FEEDHM
N#Cc1ccc(Cc2cnc([N-]C(=O)c3n[nH]cc3[N+](=O)[O-])s2)cc1	ZINC000134314135	326623232	/nfs/dbraw/zinc/62/32/32/326623232.db2.gz	LVVLLLLCSUVYRF-UHFFFAOYSA-N	-1	3	354.351	2.489	20	30		FEEDHM
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)[N-]OCc3cccnc3)C2)n1	ZINC000152446105	326707573	/nfs/dbraw/zinc/70/75/73/326707573.db2.gz	WBPBAHPZBMBYEO-KRWDZBQOSA-N	-1	3	351.410	2.121	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@](C)(CO)C1CCCCC1	ZINC000152868422	326718163	/nfs/dbraw/zinc/71/81/63/326718163.db2.gz	SIXLLFAROZWFCH-HXUWFJFHSA-N	-1	3	359.470	2.244	20	30		FEEDHM
COc1cccc(C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)c1[O-]	ZINC000155984028	326813129	/nfs/dbraw/zinc/81/31/29/326813129.db2.gz	PVWZGPWSOLIJFB-UHFFFAOYSA-N	-1	3	355.369	2.374	20	30		FEEDHM
COc1cccc(OCCC[N-]S(=O)(=O)c2ccc(F)cc2C#N)c1	ZINC000157821806	326876378	/nfs/dbraw/zinc/87/63/78/326876378.db2.gz	WVEONMIYHKTENY-UHFFFAOYSA-N	-1	3	364.398	2.453	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCO[C@H](c2cccs2)C1	ZINC000161695377	327006627	/nfs/dbraw/zinc/00/66/27/327006627.db2.gz	SWXCMTIASZAXFE-INIZCTEOSA-N	-1	3	371.462	2.458	20	30		FEEDHM
CCCN(Cc1ccc(C#N)cc1)C(=O)CNC(=O)c1cccc([O-])c1	ZINC000274525144	329957690	/nfs/dbraw/zinc/95/76/90/329957690.db2.gz	STFKDCBGGVUGRU-UHFFFAOYSA-N	-1	3	351.406	2.432	20	30		FEEDHM
CCOC(=O)N1CCC([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)CC1	ZINC000274646401	329967542	/nfs/dbraw/zinc/96/75/42/329967542.db2.gz	RPWRCGGQWSMJFD-UHFFFAOYSA-N	-1	3	371.846	2.111	20	30		FEEDHM
C#CCCCS(=O)(=O)[N-]C[C@](O)(c1ccc(Cl)cc1)C(F)(F)F	ZINC000805011593	674312530	/nfs/dbraw/zinc/31/25/30/674312530.db2.gz	LVDUHQVFPRFHPU-ZDUSSCGKSA-N	-1	3	369.792	2.423	20	30		FEEDHM
Cc1noc(C)c1[C@@H](C)C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000158686430	545885121	/nfs/dbraw/zinc/88/51/21/545885121.db2.gz	XLDTXNQWFYLNBD-VIFPVBQESA-N	-1	3	364.383	2.153	20	30		FEEDHM
C=CCN1CCC([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1	ZINC000171536696	546212897	/nfs/dbraw/zinc/21/28/97/546212897.db2.gz	VEQXRFXFPIKFNN-UHFFFAOYSA-N	-1	3	359.835	2.177	20	30		FEEDHM
N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C[C@H]1COc2ccccc2O1	ZINC000480302369	561206697	/nfs/dbraw/zinc/20/66/97/561206697.db2.gz	UGPOCIQGLXUVQT-NSHDSACASA-N	-1	3	364.810	2.330	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nn(C(C)C)cc1C#N	ZINC000176998628	546521065	/nfs/dbraw/zinc/52/10/65/546521065.db2.gz	PZCWYLIDYVWTSA-UHFFFAOYSA-N	-1	3	352.398	2.084	20	30		FEEDHM
CC(C)c1noc(CCC[N-]S(=O)(=O)c2ccc(F)cc2C#N)n1	ZINC000178525169	546806818	/nfs/dbraw/zinc/80/68/18/546806818.db2.gz	UFSJBZFZTKZLIZ-UHFFFAOYSA-N	-1	3	352.391	2.115	20	30		FEEDHM
Cc1nn(C)c(C)c1C[C@@H](C)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl	ZINC000183746240	547711583	/nfs/dbraw/zinc/71/15/83/547711583.db2.gz	LTAHOFAMDNUAEE-SNVBAGLBSA-N	-1	3	366.874	2.472	20	30		FEEDHM
N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H](O)Cc2ccccc2)c1	ZINC000184874688	547891654	/nfs/dbraw/zinc/89/16/54/547891654.db2.gz	VNYZUQICRXAQMJ-CQSZACIVSA-N	-1	3	350.827	2.094	20	30		FEEDHM
COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@]1(C#N)CCC[C@@H](C)C1	ZINC000186579989	548154388	/nfs/dbraw/zinc/15/43/88/548154388.db2.gz	QVQQPGZVTZFIFZ-BZNIZROVSA-N	-1	3	354.403	2.363	20	30		FEEDHM
C=C[C@](C)(CCOC)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1	ZINC000188995269	548292801	/nfs/dbraw/zinc/29/28/01/548292801.db2.gz	ZBQKOCLEBZKSIP-QGZVFWFLSA-N	-1	3	370.446	2.434	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCS[C@H](C)CC2)ccc1F	ZINC000191937001	548353364	/nfs/dbraw/zinc/35/33/64/548353364.db2.gz	RWOLJQBZMUPAOA-GFCCVEGCSA-N	-1	3	372.487	2.258	20	30		FEEDHM
C=CCN(CC=C)[C@H](CNC(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1)C(C)C	ZINC000263362179	549897710	/nfs/dbraw/zinc/89/77/10/549897710.db2.gz	SEJDBVRCEZLYRK-BRWVUGGUSA-N	-1	3	351.491	2.437	20	30		FEEDHM
CS(=O)(=O)[N-]c1cc(NC(=O)COc2ccc(C#N)cc2)ccc1F	ZINC000494040197	561461260	/nfs/dbraw/zinc/46/12/60/561461260.db2.gz	BKGXQSOGFUQXRY-UHFFFAOYSA-N	-1	3	363.370	2.086	20	30		FEEDHM
COc1ccc(Cc2noc(CCc3c(C)[n-]c(=O)c(C#N)c3C)n2)cn1	ZINC000273806716	550512193	/nfs/dbraw/zinc/51/21/93/550512193.db2.gz	FRPWFNNWCNRHRP-UHFFFAOYSA-N	-1	3	365.393	2.438	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-][C@H](CN1CCCC1)c1ccccc1	ZINC000276958740	550615659	/nfs/dbraw/zinc/61/56/59/550615659.db2.gz	CXTYBLKDWUBTIY-QGZVFWFLSA-N	-1	3	356.451	2.069	20	30		FEEDHM
C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cccnc2C#N)CCN1Cc1ccccc1	ZINC000277254506	550648229	/nfs/dbraw/zinc/64/82/29/550648229.db2.gz	VZNAKJHWNVAILP-WBVHZDCISA-N	-1	3	370.478	2.285	20	30		FEEDHM
Cc1ncc(CO)c(/C=N/Cc2ccc(S(C)(=O)=O)c(Cl)c2)c1[O-]	ZINC000277578318	550686954	/nfs/dbraw/zinc/68/69/54/550686954.db2.gz	YGJUXLLIWXFIFE-QGMBQPNBSA-N	-1	3	368.842	2.264	20	30		FEEDHM
Cc1cc(S(=O)(=O)[N-][C@H](c2cnn(C)c2)C(F)(F)F)ccc1C#N	ZINC000278575177	550800775	/nfs/dbraw/zinc/80/07/75/550800775.db2.gz	DKPJJRUBLJEQMI-CYBMUJFWSA-N	-1	3	358.345	2.182	20	30		FEEDHM
C=C(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)OC	ZINC000280734127	551026389	/nfs/dbraw/zinc/02/63/89/551026389.db2.gz	KFRRCDZBDODXGM-XHDPSFHLSA-N	-1	3	373.858	2.386	20	30		FEEDHM
C=CCN(CCc1ccco1)C(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1	ZINC000496688910	561495262	/nfs/dbraw/zinc/49/52/62/561495262.db2.gz	KPUGNQUBFNVYCL-HXUWFJFHSA-N	-1	3	367.405	2.205	20	30		FEEDHM
C=CCN1CC[C@H](N(C)C(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)C1=O	ZINC000282092948	551179829	/nfs/dbraw/zinc/17/98/29/551179829.db2.gz	VLCXEPYUOXXQOM-HNNXBMFYSA-N	-1	3	357.385	2.247	20	30		FEEDHM
Cn1cc2c(n1)CCC[C@H]2[N-]S(=O)(=O)c1cc(C#N)ccc1Cl	ZINC000282446776	551230382	/nfs/dbraw/zinc/23/03/82/551230382.db2.gz	GZDWEHMFIOGTGS-CQSZACIVSA-N	-1	3	350.831	2.301	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)N(C)[C@H](C)CC#N)c1nc(-c2cccc(F)c2)no1	ZINC000283046316	551303028	/nfs/dbraw/zinc/30/30/28/551303028.db2.gz	RVTZMMVUTNEPIZ-GHMZBOCLSA-N	-1	3	367.406	2.005	20	30		FEEDHM
CCCOc1ccc(/C=N/[C@@H]2CCCN(c3nccn(C)c3=O)C2)c([O-])c1	ZINC000285225310	551723080	/nfs/dbraw/zinc/72/30/80/551723080.db2.gz	FRVGUJMSIJJNCD-QLPFJNHISA-N	-1	3	370.453	2.363	20	30		FEEDHM
CC(C)(C#N)c1ccc(C(=O)N2CCC[C@H]2C[C@@]2(C)NC(=O)[N-]C2=O)cc1	ZINC000286163417	551856270	/nfs/dbraw/zinc/85/62/70/551856270.db2.gz	JNPSWBGIRZDLDG-MGPUTAFESA-N	-1	3	368.437	2.081	20	30		FEEDHM
C[C@H]1C[C@H](C[N-]S(=O)(=O)c2cccc(Br)c2C#N)CCO1	ZINC000287835675	552052807	/nfs/dbraw/zinc/05/28/07/552052807.db2.gz	NWRWEFKEDDXNQX-WDEREUQCSA-N	-1	3	373.272	2.414	20	30		FEEDHM
O=c1nc(C2CCN(CC#Cc3ccc(OC(F)(F)F)cc3)CC2)[nH][n-]1	ZINC000289518210	552334050	/nfs/dbraw/zinc/33/40/50/552334050.db2.gz	VMAMNOWYHQWVLX-UHFFFAOYSA-N	-1	3	366.343	2.228	20	30		FEEDHM
N#Cc1cccc(CNC(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c1	ZINC000290669214	552516775	/nfs/dbraw/zinc/51/67/75/552516775.db2.gz	KGFXBNCGXOPRLL-AWEZNQCLSA-N	-1	3	368.359	2.158	20	30		FEEDHM
N#C[C@]1(C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)CC12CCCC2	ZINC000294752138	552931525	/nfs/dbraw/zinc/93/15/25/552931525.db2.gz	DFMAITBSWZKFTF-FQEVSTJZSA-N	-1	3	353.422	2.151	20	30		FEEDHM
N#C[C@]1(C(=O)N2CCN(C(=O)c3cccc([O-])c3)CC2)CC12CCCC2	ZINC000295395806	552999579	/nfs/dbraw/zinc/99/95/79/552999579.db2.gz	YVJFHORDFIAHJG-FQEVSTJZSA-N	-1	3	353.422	2.151	20	30		FEEDHM
Cc1ccc(NC(=O)C[N-]S(=O)(=O)CC(C)(C)CC#N)c(Cl)c1	ZINC000295447484	553008464	/nfs/dbraw/zinc/00/84/64/553008464.db2.gz	PGLILBFIKPMVSM-UHFFFAOYSA-N	-1	3	357.863	2.446	20	30		FEEDHM
C[C@H](CCCCO)[N-]S(=O)(=O)c1cccc(Br)c1C#N	ZINC000295760626	553055540	/nfs/dbraw/zinc/05/55/40/553055540.db2.gz	PAYIRKPEFWLEEA-SNVBAGLBSA-N	-1	3	361.261	2.150	20	30		FEEDHM
C=CCN(CC=C)C(=O)C[N-]S(=O)(=O)c1ccccc1C(F)(F)F	ZINC000298239116	553402264	/nfs/dbraw/zinc/40/22/64/553402264.db2.gz	KYCKFEJZWQXTBN-UHFFFAOYSA-N	-1	3	362.373	2.184	20	30		FEEDHM
CCC(CC)CS(=O)(=O)[N-][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000503887452	561649537	/nfs/dbraw/zinc/64/95/37/561649537.db2.gz	VXTYFAYXNWZPAG-QGZVFWFLSA-N	-1	3	363.483	2.409	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H](O)c1cccc(F)c1	ZINC000299289442	553543053	/nfs/dbraw/zinc/54/30/53/553543053.db2.gz	FXPOMQOIJBYVLP-KRWDZBQOSA-N	-1	3	357.385	2.197	20	30		FEEDHM
O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)C1CCC(=O)CC1	ZINC000328721894	553812348	/nfs/dbraw/zinc/81/23/48/553812348.db2.gz	ROWYVHXQXHYWHI-UHFFFAOYSA-N	-1	3	364.876	2.396	20	30		FEEDHM
C[C@]1(CO)CCC[C@@H]1[N-]S(=O)(=O)c1cccc(Br)c1C#N	ZINC000330678180	554156050	/nfs/dbraw/zinc/15/60/50/554156050.db2.gz	WBJGFTXNLMAVTJ-UONOGXRCSA-N	-1	3	373.272	2.150	20	30		FEEDHM
O=C(NC[C@H]1CCCCN1CCO)c1ccc(Br)cc1[O-]	ZINC000331329595	554247962	/nfs/dbraw/zinc/24/79/62/554247962.db2.gz	OCUCMOHUINDZQL-GFCCVEGCSA-N	-1	3	357.248	2.306	20	30		FEEDHM
Cc1ccc([C@@H]2OCCC[C@@H]2[N-]S(=O)(=O)c2cccnc2C#N)cc1	ZINC000331447259	554266244	/nfs/dbraw/zinc/26/62/44/554266244.db2.gz	SZSXKHOLTKZNNZ-YJBOKZPZSA-N	-1	3	357.435	2.460	20	30		FEEDHM
CCn1cc([C@H]2OCCC[C@@H]2[N-]S(=O)(=O)c2ccc(C#N)s2)cn1	ZINC000331626291	554297545	/nfs/dbraw/zinc/29/75/45/554297545.db2.gz	NZMTWJXRPURWAT-DZGCQCFKSA-N	-1	3	366.468	2.035	20	30		FEEDHM
CCn1c(=O)[n-]c(=O)c2c(C(=O)N[C@@H]3CCC[C@@H]3C#N)cc(C(C)C)nc21	ZINC000332001332	554360910	/nfs/dbraw/zinc/36/09/10/554360910.db2.gz	WFFIBBWZCIOIHF-DGCLKSJQSA-N	-1	3	369.425	2.062	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1ccc2n[nH]cc2c1	ZINC000511052452	561855035	/nfs/dbraw/zinc/85/50/35/561855035.db2.gz	PAXFUVWALQLNMA-SNVBAGLBSA-N	-1	3	371.378	2.382	20	30		FEEDHM
Cc1oc(C#N)cc1-c1nc(-c2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)no1	ZINC000350122002	554761855	/nfs/dbraw/zinc/76/18/55/554761855.db2.gz	PNWMPKVXALMNCC-GOSISDBHSA-N	-1	3	363.333	2.231	20	30		FEEDHM
CN(Cc1ccccc1)[C@H](CNC(=O)N=c1[n-]n(C)cc1C#N)C1CC1	ZINC000614182391	555019527	/nfs/dbraw/zinc/01/95/27/555019527.db2.gz	OTGULUUIMMAJCB-QGZVFWFLSA-N	-1	3	352.442	2.324	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)c1cccnc1C#N)c1ccc(-c2cncnc2)cc1	ZINC000364348931	555296409	/nfs/dbraw/zinc/29/64/09/555296409.db2.gz	BDEHQWIENKMKIB-CYBMUJFWSA-N	-1	3	365.418	2.450	20	30		FEEDHM
Cc1cccc2c1OC[C@@H]([N-]S(=O)(=O)Cc1cc(C#N)ccc1F)C2	ZINC000514760652	561977981	/nfs/dbraw/zinc/97/79/81/561977981.db2.gz	RRCOQEPZZRZHTO-INIZCTEOSA-N	-1	3	360.410	2.429	20	30		FEEDHM
Cc1nc([C@](C)([N-]S(=O)(=O)Cc2ccc(F)cc2C#N)C2CC2)no1	ZINC000515038044	561992978	/nfs/dbraw/zinc/99/29/78/561992978.db2.gz	DRHPNTYRNSDXRK-MRXNPFEDSA-N	-1	3	364.402	2.134	20	30		FEEDHM
N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CCc2cn3c(n2)CCCC3)c1	ZINC000370437761	556873319	/nfs/dbraw/zinc/87/33/19/556873319.db2.gz	ACSOSHJTMNAWRH-UHFFFAOYSA-N	-1	3	364.858	2.265	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)c1c[nH]cn1)c1nc(-c2ccc(C#N)cc2)cs1	ZINC000370569925	556910958	/nfs/dbraw/zinc/91/09/58/556910958.db2.gz	QYYVMOUSOCUVHL-SNVBAGLBSA-N	-1	3	359.436	2.444	20	30		FEEDHM
CC(C)(CCC#N)CN1CCC[C@@H](c2n[nH]cc2[N-]S(C)(=O)=O)C1	ZINC000371607769	557237875	/nfs/dbraw/zinc/23/78/75/557237875.db2.gz	ORLVSKZOGORXOK-CYBMUJFWSA-N	-1	3	353.492	2.291	20	30		FEEDHM
Cc1nnc([C@@H]2CCCCN2C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)[nH]1	ZINC000372243761	557420029	/nfs/dbraw/zinc/42/00/29/557420029.db2.gz	FUCLMYDVECHUJT-INIZCTEOSA-N	-1	3	368.441	2.389	20	30		FEEDHM
Cc1nc([C@@H]2CCCCN2C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)n[nH]1	ZINC000372243761	557420034	/nfs/dbraw/zinc/42/00/34/557420034.db2.gz	FUCLMYDVECHUJT-INIZCTEOSA-N	-1	3	368.441	2.389	20	30		FEEDHM
CS(=O)(=O)[N-]c1c[nH]nc1[C@@H]1CCCN(Cc2ccc(C#N)cc2)C1	ZINC000374823438	557936498	/nfs/dbraw/zinc/93/64/98/557936498.db2.gz	UXMULSWBALEHKP-OAHLLOKOSA-N	-1	3	359.455	2.032	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)c1cccnc1C#N)c1ccccc1-n1cccn1	ZINC000375949519	558104391	/nfs/dbraw/zinc/10/43/91/558104391.db2.gz	TVYLAAJNCPKUMM-CYBMUJFWSA-N	-1	3	353.407	2.178	20	30		FEEDHM
C[C@@H](c1ccccc1)N1CCC([N-]S(=O)(=O)c2cccnc2C#N)CC1	ZINC000376985623	558248372	/nfs/dbraw/zinc/24/83/72/558248372.db2.gz	OHCAZLMNNLJFRO-HNNXBMFYSA-N	-1	3	370.478	2.457	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-][C@@H]1c2ccccc2CC12CCOCC2	ZINC000377722561	558405386	/nfs/dbraw/zinc/40/53/86/558405386.db2.gz	JPQBZTDPJGDAKP-GOSISDBHSA-N	-1	3	369.446	2.326	20	30		FEEDHM
CCN(C[C@@H](C)C#N)S(=O)(=O)[N-][C@H](CC(C)C)C(=O)OC(C)(C)C	ZINC000409499768	558697711	/nfs/dbraw/zinc/69/77/11/558697711.db2.gz	IAQQKCZFYDOJNW-UONOGXRCSA-N	-1	3	361.508	2.059	20	30		FEEDHM
CC(=O)c1ccc(C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1[O-]	ZINC000412372520	559031755	/nfs/dbraw/zinc/03/17/55/559031755.db2.gz	ZYFOJQOJFVEUJL-HNNXBMFYSA-N	-1	3	351.362	2.155	20	30		FEEDHM
C=CCCOCC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000416443914	559313147	/nfs/dbraw/zinc/31/31/47/559313147.db2.gz	WOYWSGUUYURMTB-UHFFFAOYSA-N	-1	3	368.333	2.485	20	30		FEEDHM
C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2cc(Br)ccc2C#N)[C@@H](C)O1	ZINC000416608895	559324895	/nfs/dbraw/zinc/32/48/95/559324895.db2.gz	SXNSRUZIKQPJEB-FOGDFJRCSA-N	-1	3	373.272	2.413	20	30		FEEDHM
COCCOc1ccc(F)cc1S(=O)(=O)[N-]Cc1ccc(C#N)s1	ZINC000420705281	559499327	/nfs/dbraw/zinc/49/93/27/559499327.db2.gz	NVEPYRAOLGDEAC-UHFFFAOYSA-N	-1	3	370.427	2.263	20	30		FEEDHM
C=CCCn1cc(C(=O)[N-]c2cccnc2SCCC(=O)OC)nn1	ZINC000424787661	559676612	/nfs/dbraw/zinc/67/66/12/559676612.db2.gz	VAUHJSTXXWZFFX-UHFFFAOYSA-N	-1	3	361.427	2.157	20	30		FEEDHM
C=CCC1(C(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C)c2)CCOCC1	ZINC000424828162	559677903	/nfs/dbraw/zinc/67/79/03/559677903.db2.gz	FWGBDNXBFGWQBO-UHFFFAOYSA-N	-1	3	356.419	2.045	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-]CCOc1ccc2ccccc2c1	ZINC000428230873	559771974	/nfs/dbraw/zinc/77/19/74/559771974.db2.gz	QDSZGCKFSKWZPA-UHFFFAOYSA-N	-1	3	353.403	2.464	20	30		FEEDHM
Cc1ccc([C@H](C[N-]S(=O)(=O)c2cccnc2C#N)N2CCCC2)cc1	ZINC000428238446	559772060	/nfs/dbraw/zinc/77/20/60/559772060.db2.gz	DJIOYOCSUKCMFF-SFHVURJKSA-N	-1	3	370.478	2.377	20	30		FEEDHM
CN(C)[C@@H](C[N-]S(=O)(=O)c1cccnc1C#N)c1ccccc1Cl	ZINC000428249244	559772237	/nfs/dbraw/zinc/77/22/37/559772237.db2.gz	UUPXVVRNKYTNTN-HNNXBMFYSA-N	-1	3	364.858	2.188	20	30		FEEDHM
C=CCOC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)C(=O)OC	ZINC000429905672	559808315	/nfs/dbraw/zinc/80/83/15/559808315.db2.gz	CWPAJEZOOXRUSY-LLVKDONJSA-N	-1	3	368.238	2.016	20	30		FEEDHM
C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C#N)c2ccc(Cl)cc2)c(C)o1	ZINC000434000741	559892424	/nfs/dbraw/zinc/89/24/24/559892424.db2.gz	DEKJRZIQMJSWHI-ZDUSSCGKSA-N	-1	3	367.814	2.144	20	30		FEEDHM
CCOC(=O)[C@H](CCOC(C)(C)C)[N-]S(=O)(=O)c1ccc(C#N)s1	ZINC000435428395	559922699	/nfs/dbraw/zinc/92/26/99/559922699.db2.gz	QORVSGKZDVDHQJ-LBPRGKRZSA-N	-1	3	374.484	2.035	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc3c(c2)OCCCO3)s1	ZINC000435427930	559922752	/nfs/dbraw/zinc/92/27/52/559922752.db2.gz	PLCSONNZWYHRCO-UHFFFAOYSA-N	-1	3	350.421	2.260	20	30		FEEDHM
CC(C)n1cc2c(n1)C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)s1)CC2	ZINC000435443059	559923318	/nfs/dbraw/zinc/92/33/18/559923318.db2.gz	OLDJCFQPBXZQBD-LBPRGKRZSA-N	-1	3	350.469	2.233	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]C[C@]2(CO)C[C@H]2c2ccc(F)cc2)s1	ZINC000435446587	559923328	/nfs/dbraw/zinc/92/33/28/559923328.db2.gz	KQPVYXFEMZSVSF-HOCLYGCPSA-N	-1	3	366.439	2.203	20	30		FEEDHM
C=CCCOCCCCC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1	ZINC000436664011	559948198	/nfs/dbraw/zinc/94/81/98/559948198.db2.gz	NTVVQVQHCWFSLT-UHFFFAOYSA-N	-1	3	360.454	2.440	20	30		FEEDHM
N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CCNC(=O)CC1CCCC1	ZINC000443054098	560068146	/nfs/dbraw/zinc/06/81/46/560068146.db2.gz	VZIDHWIBUWOFON-UHFFFAOYSA-N	-1	3	369.874	2.186	20	30		FEEDHM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]CC1Cc2ccccc2C1	ZINC000443116731	560071291	/nfs/dbraw/zinc/07/12/91/560071291.db2.gz	QSPUWBAHKYZRLR-UHFFFAOYSA-N	-1	3	357.391	2.160	20	30		FEEDHM
CCOC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)CC(C)(C)CC#N	ZINC000451105172	560287395	/nfs/dbraw/zinc/28/73/95/560287395.db2.gz	SZDDNNPSYJQNPV-OAHLLOKOSA-N	-1	3	352.456	2.020	20	30		FEEDHM
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]CC(C)(C)CCC#N	ZINC000451562799	560314935	/nfs/dbraw/zinc/31/49/35/560314935.db2.gz	JMXLOHPRRALFHP-JTQLQIEISA-N	-1	3	358.382	2.120	20	30		FEEDHM
C=C(C)CC[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)N(C)C)c1OC	ZINC000451802162	560329394	/nfs/dbraw/zinc/32/93/94/560329394.db2.gz	KVAOYDJRBSUDHI-UHFFFAOYSA-N	-1	3	360.863	2.295	20	30		FEEDHM
CC[C@@](C)(C[N-]S(=O)(=O)c1cccc(Br)c1C#N)OC	ZINC000451800224	560329454	/nfs/dbraw/zinc/32/94/54/560329454.db2.gz	ZWTXFGDVSYJRQI-ZDUSSCGKSA-N	-1	3	361.261	2.414	20	30		FEEDHM
CO[C@@](C)(C[N-]S(=O)(=O)c1cccc(Br)c1C#N)C1CC1	ZINC000462128626	560798295	/nfs/dbraw/zinc/79/82/95/560798295.db2.gz	XJBFGYLIMKNNPE-AWEZNQCLSA-N	-1	3	373.272	2.414	20	30		FEEDHM
COCC[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1OC)c1ccco1	ZINC000464203362	560835841	/nfs/dbraw/zinc/83/58/41/560835841.db2.gz	HHUKTVRMQFXUNE-ZDUSSCGKSA-N	-1	3	350.396	2.216	20	30		FEEDHM
N#Cc1ccc(F)c(CS(=O)(=O)[N-][C@H]2COc3ccc(F)cc32)c1	ZINC000466540962	560889261	/nfs/dbraw/zinc/88/92/61/560889261.db2.gz	IFNVWGFXYRIIFD-HNNXBMFYSA-N	-1	3	350.346	2.390	20	30		FEEDHM
CC(C)[C@H](C#N)NC(=O)Cc1csc(NC(=O)c2cccc([O-])c2)n1	ZINC000468150243	560923600	/nfs/dbraw/zinc/92/36/00/560923600.db2.gz	OONKPPZBQRJDIZ-AWEZNQCLSA-N	-1	3	358.423	2.308	20	30		FEEDHM
O=C(CC(=O)N(CCC(F)(F)F)CC(F)(F)F)[N-]CC(F)(F)F	ZINC000468518427	560932023	/nfs/dbraw/zinc/93/20/23/560932023.db2.gz	WLDADXWOJLQUGQ-UHFFFAOYSA-N	-1	3	362.192	2.398	20	30		FEEDHM
C=CCCC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC	ZINC000469311074	560952192	/nfs/dbraw/zinc/95/21/92/560952192.db2.gz	GNCCVYBXYMDELI-NSHDSACASA-N	-1	3	356.400	2.405	20	30		FEEDHM
CS(=O)(=O)[N-]c1cc(C(=O)N[C@H](C#N)C2CC2)cc(C(F)(F)F)c1	ZINC000472089337	561017606	/nfs/dbraw/zinc/01/76/06/561017606.db2.gz	UCGOVLMYIUEBIT-GFCCVEGCSA-N	-1	3	361.345	2.109	20	30		FEEDHM
N#CC1(CS(=O)(=O)[N-]C[C@H]2COc3ccccc3O2)CCCCC1	ZINC000475551278	561099824	/nfs/dbraw/zinc/09/98/24/561099824.db2.gz	XTWNSEJHSYZTPE-AWEZNQCLSA-N	-1	3	350.440	2.220	20	30		FEEDHM
C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)o1	ZINC000528530806	562334401	/nfs/dbraw/zinc/33/44/01/562334401.db2.gz	VFTPXUPXRDVLQC-PBHICJAKSA-N	-1	3	359.451	2.340	20	30		FEEDHM
Cc1cc(C(=O)N[C@@H](C#N)c2ccc(OC(F)(F)F)cc2)[n-]c(=O)n1	ZINC000531646816	562452696	/nfs/dbraw/zinc/45/26/96/562452696.db2.gz	CLHMSYMWPWSJFA-LBPRGKRZSA-N	-1	3	352.272	2.384	20	30		FEEDHM
N#CCc1ccnc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])c1	ZINC000532184177	562470158	/nfs/dbraw/zinc/47/01/58/562470158.db2.gz	NWGGQTNVQXVGKJ-HNNXBMFYSA-N	-1	3	350.378	2.097	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](CO)c1cccc(F)c1	ZINC000536221643	562573622	/nfs/dbraw/zinc/57/36/22/562573622.db2.gz	REZNMOAZHXZXQO-QGZVFWFLSA-N	-1	3	357.385	2.197	20	30		FEEDHM
C=CC(C)(C)CCNC(=O)NCc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1	ZINC000636703220	567863419	/nfs/dbraw/zinc/86/34/19/567863419.db2.gz	UBDRJEXXCVKWLR-IBGZPJMESA-N	-1	3	358.442	2.143	20	30		FEEDHM
Cc1cc(F)cc2c1[n-]cc(C(=O)N1C[C@@H](C)N(CC#N)[C@H](C)C1)c2=O	ZINC000603098873	568060287	/nfs/dbraw/zinc/06/02/87/568060287.db2.gz	ILNIWBYURLCIFJ-CHWSQXEVSA-N	-1	3	356.401	2.034	20	30		FEEDHM
N#C[C@@H](NC(=O)COc1ccccc1-c1nnn[n-]1)c1ccc(Cl)cc1	ZINC000737675879	598826287	/nfs/dbraw/zinc/82/62/87/598826287.db2.gz	SMSZACXZRZKDEZ-CQSZACIVSA-N	-1	3	368.784	2.280	20	30		FEEDHM
N#C[C@@H](NC(=O)COc1ccccc1-c1nn[n-]n1)c1ccc(Cl)cc1	ZINC000737675879	598826289	/nfs/dbraw/zinc/82/62/89/598826289.db2.gz	SMSZACXZRZKDEZ-CQSZACIVSA-N	-1	3	368.784	2.280	20	30		FEEDHM
C#CCSCCNc1c(-c2nnn[n-]2)cnc2c(F)ccc(Cl)c21	ZINC000735387885	598856702	/nfs/dbraw/zinc/85/67/02/598856702.db2.gz	JLFQEEPNBBPFTQ-UHFFFAOYSA-N	-1	3	362.821	2.408	20	30		FEEDHM
C#CCSCCNc1c(-c2nn[n-]n2)cnc2c(F)ccc(Cl)c21	ZINC000735387885	598856703	/nfs/dbraw/zinc/85/67/03/598856703.db2.gz	JLFQEEPNBBPFTQ-UHFFFAOYSA-N	-1	3	362.821	2.408	20	30		FEEDHM
C#CCCNC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1	ZINC000735375948	598889483	/nfs/dbraw/zinc/88/94/83/598889483.db2.gz	UJWLJNOFXKTVLN-UHFFFAOYSA-N	-1	3	352.423	2.418	20	30		FEEDHM
Cc1nn(C(F)F)c(C)c1CC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1	ZINC000737510190	598913855	/nfs/dbraw/zinc/91/38/55/598913855.db2.gz	RSWKHQDIHCUWKE-UHFFFAOYSA-N	-1	3	372.339	2.128	20	30		FEEDHM
Cc1nn(C(F)F)c(C)c1CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1	ZINC000737510190	598913857	/nfs/dbraw/zinc/91/38/57/598913857.db2.gz	RSWKHQDIHCUWKE-UHFFFAOYSA-N	-1	3	372.339	2.128	20	30		FEEDHM
CN(C)c1ccc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1F	ZINC000736773033	598916409	/nfs/dbraw/zinc/91/64/09/598916409.db2.gz	JJQLYFVVUYKNQF-UHFFFAOYSA-N	-1	3	351.345	2.196	20	30		FEEDHM
CN(C)c1ccc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1F	ZINC000736773033	598916410	/nfs/dbraw/zinc/91/64/10/598916410.db2.gz	JJQLYFVVUYKNQF-UHFFFAOYSA-N	-1	3	351.345	2.196	20	30		FEEDHM
N#Cc1cc(NC(=O)c2ccc3c(c2)OCCCO3)ccc1-c1nnn[n-]1	ZINC000737708494	598920168	/nfs/dbraw/zinc/92/01/68/598920168.db2.gz	GOKNHJCKIAIAOZ-UHFFFAOYSA-N	-1	3	362.349	2.152	20	30		FEEDHM
N#Cc1cc(NC(=O)c2ccc3c(c2)OCCCO3)ccc1-c1nn[n-]n1	ZINC000737708494	598920170	/nfs/dbraw/zinc/92/01/70/598920170.db2.gz	GOKNHJCKIAIAOZ-UHFFFAOYSA-N	-1	3	362.349	2.152	20	30		FEEDHM
COc1cc(-c2nnn[n-]2)ccc1OCCSc1cc(C#N)ccn1	ZINC000737033304	598938743	/nfs/dbraw/zinc/93/87/43/598938743.db2.gz	VDKQNQHJZHUPAE-UHFFFAOYSA-N	-1	3	354.395	2.313	20	30		FEEDHM
COc1cc(-c2nn[n-]n2)ccc1OCCSc1cc(C#N)ccn1	ZINC000737033304	598938745	/nfs/dbraw/zinc/93/87/45/598938745.db2.gz	VDKQNQHJZHUPAE-UHFFFAOYSA-N	-1	3	354.395	2.313	20	30		FEEDHM
COC(=O)c1ccc(C(C)=NNCc2ccc(-c3nnn[n-]3)cc2)cc1	ZINC000821668748	607254095	/nfs/dbraw/zinc/25/40/95/607254095.db2.gz	GYEKDORZPXFRGG-UHFFFAOYSA-N	-1	3	350.382	2.167	20	30		FEEDHM
COC(=O)c1ccc(C(C)=NNCc2ccc(-c3nn[n-]n3)cc2)cc1	ZINC000821668748	607254096	/nfs/dbraw/zinc/25/40/96/607254096.db2.gz	GYEKDORZPXFRGG-UHFFFAOYSA-N	-1	3	350.382	2.167	20	30		FEEDHM
C=CC[C@@H](NC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1)c1ccncc1	ZINC000735409357	598969318	/nfs/dbraw/zinc/96/93/18/598969318.db2.gz	CZEDYLUBPCNNFY-XJKSGUPXSA-N	-1	3	364.409	2.463	20	30		FEEDHM
C=CC[C@@H](NC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1)c1ccncc1	ZINC000735409357	598969320	/nfs/dbraw/zinc/96/93/20/598969320.db2.gz	CZEDYLUBPCNNFY-XJKSGUPXSA-N	-1	3	364.409	2.463	20	30		FEEDHM
CN(CCC#N)C(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1	ZINC000736791301	599025109	/nfs/dbraw/zinc/02/51/09/599025109.db2.gz	KWROSBRIUDTWLA-UHFFFAOYSA-N	-1	3	362.393	2.431	20	30		FEEDHM
N#Cc1cc(NC(=O)c2cccc(-n3cccn3)c2)ccc1-c1nnn[n-]1	ZINC000737709421	599114250	/nfs/dbraw/zinc/11/42/50/599114250.db2.gz	NYXMPJDASMBSKP-UHFFFAOYSA-N	-1	3	356.349	2.176	20	30		FEEDHM
N#Cc1cc(NC(=O)c2cccc(-n3cccn3)c2)ccc1-c1nn[n-]n1	ZINC000737709421	599114254	/nfs/dbraw/zinc/11/42/54/599114254.db2.gz	NYXMPJDASMBSKP-UHFFFAOYSA-N	-1	3	356.349	2.176	20	30		FEEDHM
N#Cc1ccc(SCC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1	ZINC000822833363	599168838	/nfs/dbraw/zinc/16/88/38/599168838.db2.gz	OOJPNQDFEOYWNO-UHFFFAOYSA-N	-1	3	368.397	2.286	20	30		FEEDHM
N#Cc1ccc(SCC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1	ZINC000822833363	599168839	/nfs/dbraw/zinc/16/88/39/599168839.db2.gz	OOJPNQDFEOYWNO-UHFFFAOYSA-N	-1	3	368.397	2.286	20	30		FEEDHM
N#Cc1ccc(OCCNC(=S)Nc2ccccc2-c2nnn[n-]2)cc1	ZINC000737722641	599176569	/nfs/dbraw/zinc/17/65/69/599176569.db2.gz	XHSVQFDVZXYFNN-UHFFFAOYSA-N	-1	3	365.422	2.104	20	30		FEEDHM
N#Cc1ccc(OCCNC(=S)Nc2ccccc2-c2nn[n-]n2)cc1	ZINC000737722641	599176571	/nfs/dbraw/zinc/17/65/71/599176571.db2.gz	XHSVQFDVZXYFNN-UHFFFAOYSA-N	-1	3	365.422	2.104	20	30		FEEDHM
N#Cc1cc(NC(=O)C(=O)c2ccc3c(c2)CCC3)ccc1-c1nnn[n-]1	ZINC000737706722	599197873	/nfs/dbraw/zinc/19/78/73/599197873.db2.gz	YKIVYIBZGZGHKR-UHFFFAOYSA-N	-1	3	358.361	2.048	20	30		FEEDHM
N#Cc1cc(NC(=O)C(=O)c2ccc3c(c2)CCC3)ccc1-c1nn[n-]n1	ZINC000737706722	599197875	/nfs/dbraw/zinc/19/78/75/599197875.db2.gz	YKIVYIBZGZGHKR-UHFFFAOYSA-N	-1	3	358.361	2.048	20	30		FEEDHM
C=CCNC(=O)[C@H](C)Sc1nc(C)cc(C(F)(F)F)c1-c1nnn[n-]1	ZINC000735431630	598295761	/nfs/dbraw/zinc/29/57/61/598295761.db2.gz	HAXJCFXNCIDVSQ-QMMMGPOBSA-N	-1	3	372.376	2.372	20	30		FEEDHM
N#C[C@@H](NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1)C1CC1	ZINC000737675546	598691883	/nfs/dbraw/zinc/69/18/83/598691883.db2.gz	PMTYCHASFLYAPM-OAHLLOKOSA-N	-1	3	361.365	2.086	20	30		FEEDHM
N#C[C@@H](NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1)C1CC1	ZINC000737675546	598691885	/nfs/dbraw/zinc/69/18/85/598691885.db2.gz	PMTYCHASFLYAPM-OAHLLOKOSA-N	-1	3	361.365	2.086	20	30		FEEDHM
COC(=O)[C@H](N[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccc(C#N)cc1	ZINC000821641168	599391633	/nfs/dbraw/zinc/39/16/33/599391633.db2.gz	XGITYVFAPCFWGZ-SJKOYZFVSA-N	-1	3	362.393	2.303	20	30		FEEDHM
COC(=O)[C@H](N[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccc(C#N)cc1	ZINC000821641168	599391636	/nfs/dbraw/zinc/39/16/36/599391636.db2.gz	XGITYVFAPCFWGZ-SJKOYZFVSA-N	-1	3	362.393	2.303	20	30		FEEDHM
CC[C@@H](Sc1nc(N)c(-c2nnn[n-]2)cc1C#N)C(=O)c1ccccc1	ZINC000736393356	599518669	/nfs/dbraw/zinc/51/86/69/599518669.db2.gz	XPIZLYQALCALSY-CYBMUJFWSA-N	-1	3	365.422	2.469	20	30		FEEDHM
CC[C@@H](Sc1nc(N)c(-c2nn[n-]n2)cc1C#N)C(=O)c1ccccc1	ZINC000736393356	599518671	/nfs/dbraw/zinc/51/86/71/599518671.db2.gz	XPIZLYQALCALSY-CYBMUJFWSA-N	-1	3	365.422	2.469	20	30		FEEDHM
C#CCOc1ccc(C(=O)OCCOc2ccc(-c3nn[n-]n3)cc2)cc1	ZINC000819709896	599623806	/nfs/dbraw/zinc/62/38/06/599623806.db2.gz	SUSYJVBMKYSTHN-UHFFFAOYSA-N	-1	3	364.361	2.115	20	30		FEEDHM
CCC(CC)CN(CCC#N)CC(=O)NCc1cccc(-c2nnn[n-]2)c1	ZINC000820893073	599640160	/nfs/dbraw/zinc/64/01/60/599640160.db2.gz	JBUSDZPKZLEZGS-UHFFFAOYSA-N	-1	3	369.473	2.135	20	30		FEEDHM
CCC(CC)CN(CCC#N)CC(=O)NCc1cccc(-c2nn[n-]n2)c1	ZINC000820893073	599640161	/nfs/dbraw/zinc/64/01/61/599640161.db2.gz	JBUSDZPKZLEZGS-UHFFFAOYSA-N	-1	3	369.473	2.135	20	30		FEEDHM
C[C@@H](OC(=O)C1(C#N)CCC1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1	ZINC000820486892	599662042	/nfs/dbraw/zinc/66/20/42/599662042.db2.gz	DIMLKHQYEULTFA-SECBINFHSA-N	-1	3	374.788	2.084	20	30		FEEDHM
C[C@@H](OC(=O)C1(C#N)CCC1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1	ZINC000820486892	599662043	/nfs/dbraw/zinc/66/20/43/599662043.db2.gz	DIMLKHQYEULTFA-SECBINFHSA-N	-1	3	374.788	2.084	20	30		FEEDHM
C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NC1(c2cccc(C#N)c2)CC1	ZINC000824728679	607421626	/nfs/dbraw/zinc/42/16/26/607421626.db2.gz	GNBJCDUGVSZMSQ-ZDUSSCGKSA-N	-1	3	374.404	2.311	20	30		FEEDHM
N#Cc1ccc([C@@H](C(=O)[O-])N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1	ZINC000833072193	601013576	/nfs/dbraw/zinc/01/35/76/601013576.db2.gz	PRIZVEKBWSGNPZ-YOEHRIQHSA-N	-1	3	367.365	2.174	20	30		FEEDHM
N#Cc1cccc(C(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)c1	ZINC000833073447	601731054	/nfs/dbraw/zinc/73/10/54/601731054.db2.gz	BTQDJPAIUYHFGB-NRFANRHFSA-N	-1	3	363.417	2.407	20	30		FEEDHM
COc1ccc(CNc2c(C#N)cnc3ccccc32)cc1-c1nnn[n-]1	ZINC000826203244	607559368	/nfs/dbraw/zinc/55/93/68/607559368.db2.gz	GNWHALFKZLVECX-UHFFFAOYSA-N	-1	3	357.377	2.329	20	30		FEEDHM
COc1ccc(CNc2c(C#N)cnc3ccccc32)cc1-c1nn[n-]n1	ZINC000826203244	607559369	/nfs/dbraw/zinc/55/93/69/607559369.db2.gz	GNWHALFKZLVECX-UHFFFAOYSA-N	-1	3	357.377	2.329	20	30		FEEDHM
Cc1cccc(S(=O)(=O)Oc2ccc(C#N)cc2C)c1-c1nnn[n-]1	ZINC000826256990	607603735	/nfs/dbraw/zinc/60/37/35/607603735.db2.gz	JHQXHUIJGLACLM-UHFFFAOYSA-N	-1	3	355.379	2.123	20	30		FEEDHM
Cc1cccc(S(=O)(=O)Oc2cc(-c3nnn[n-]3)ccc2C)c1C#N	ZINC000826279329	607670753	/nfs/dbraw/zinc/67/07/53/607670753.db2.gz	NEVPNBWKDXLUMX-UHFFFAOYSA-N	-1	3	355.379	2.123	20	30		FEEDHM
Cc1cccc(S(=O)(=O)Oc2cc(-c3nn[n-]n3)ccc2C)c1C#N	ZINC000826279329	607670754	/nfs/dbraw/zinc/67/07/54/607670754.db2.gz	NEVPNBWKDXLUMX-UHFFFAOYSA-N	-1	3	355.379	2.123	20	30		FEEDHM
C[C@H](C(=O)[O-])[C@@H](NCCS(=O)(=O)c1cccc(C#N)c1)c1ccccc1	ZINC000833408863	604481980	/nfs/dbraw/zinc/48/19/80/604481980.db2.gz	XPXHCCRGYITQED-KBXCAEBGSA-N	-1	3	372.446	2.384	20	30		FEEDHM
CC(C)(C(=O)[O-])[C@@H]1CCCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000833417344	604940680	/nfs/dbraw/zinc/94/06/80/604940680.db2.gz	QDWIDMSCKBTZJN-NVXWUHKLSA-N	-1	3	355.438	2.486	20	30		FEEDHM
N#Cc1cccc(CC(=O)OCc2cn3ccccc3c2-c2nnn[n-]2)c1	ZINC000822837364	606141691	/nfs/dbraw/zinc/14/16/91/606141691.db2.gz	LHUJRPQYAUJQLX-UHFFFAOYSA-N	-1	3	358.361	2.277	20	30		FEEDHM
N#Cc1cccc(CC(=O)OCc2cn3ccccc3c2-c2nn[n-]n2)c1	ZINC000822837364	606141693	/nfs/dbraw/zinc/14/16/93/606141693.db2.gz	LHUJRPQYAUJQLX-UHFFFAOYSA-N	-1	3	358.361	2.277	20	30		FEEDHM
N#CCCN(CCC(=O)Nc1ccc(-c2nnn[n-]2)cc1)Cc1ccco1	ZINC000822810664	606191537	/nfs/dbraw/zinc/19/15/37/606191537.db2.gz	KLWFYVOKBVOGOI-UHFFFAOYSA-N	-1	3	365.397	2.204	20	30		FEEDHM
N#CCCN(CCC(=O)Nc1ccc(-c2nn[n-]n2)cc1)Cc1ccco1	ZINC000822810664	606191538	/nfs/dbraw/zinc/19/15/38/606191538.db2.gz	KLWFYVOKBVOGOI-UHFFFAOYSA-N	-1	3	365.397	2.204	20	30		FEEDHM
CCOc1ccc(N(CCC#N)C(=O)c2cc(-c3nnn[n-]3)cn2C)cc1	ZINC000821422105	606286097	/nfs/dbraw/zinc/28/60/97/606286097.db2.gz	NJPXRUAJQIADGB-UHFFFAOYSA-N	-1	3	365.397	2.164	20	30		FEEDHM
CCOc1ccc(N(CCC#N)C(=O)c2cc(-c3nn[n-]n3)cn2C)cc1	ZINC000821422105	606286099	/nfs/dbraw/zinc/28/60/99/606286099.db2.gz	NJPXRUAJQIADGB-UHFFFAOYSA-N	-1	3	365.397	2.164	20	30		FEEDHM
COc1cccc(NC(=S)NN=Cc2ccc(-c3nnn[n-]3)s2)c1	ZINC000821873841	606369226	/nfs/dbraw/zinc/36/92/26/606369226.db2.gz	YYSMGKLWCBGQHR-UHFFFAOYSA-N	-1	3	359.440	2.257	20	30		FEEDHM
COc1cccc(C#CCOC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1	ZINC000821853853	606397098	/nfs/dbraw/zinc/39/70/98/606397098.db2.gz	BPOOYEMIKBRVLT-VAWYXSNFSA-N	-1	3	360.373	2.483	20	30		FEEDHM
COc1cccc(C#CCOC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1	ZINC000821853853	606397100	/nfs/dbraw/zinc/39/71/00/606397100.db2.gz	BPOOYEMIKBRVLT-VAWYXSNFSA-N	-1	3	360.373	2.483	20	30		FEEDHM
C[C@@H]1CCN(c2cc(C(=O)Nc3ccc(-c4nnn[n-]4)c(C#N)c3)ccn2)C1	ZINC000820727855	606513583	/nfs/dbraw/zinc/51/35/83/606513583.db2.gz	PRJITBNUBBBIEA-GFCCVEGCSA-N	-1	3	374.408	2.232	20	30		FEEDHM
C[C@@H]1CCN(c2cc(C(=O)Nc3ccc(-c4nn[n-]n4)c(C#N)c3)ccn2)C1	ZINC000820727855	606513584	/nfs/dbraw/zinc/51/35/84/606513584.db2.gz	PRJITBNUBBBIEA-GFCCVEGCSA-N	-1	3	374.408	2.232	20	30		FEEDHM
C[C@@H](CC#N)N(C)CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2	ZINC000820220281	606660403	/nfs/dbraw/zinc/66/04/03/606660403.db2.gz	QBJMHSJVSHKAKM-NSHDSACASA-N	-1	3	373.486	2.370	20	30		FEEDHM
C[C@@H](CC#N)N(C)CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2	ZINC000820220281	606660404	/nfs/dbraw/zinc/66/04/04/606660404.db2.gz	QBJMHSJVSHKAKM-NSHDSACASA-N	-1	3	373.486	2.370	20	30		FEEDHM
N#CCCN(Cc1cccnc1)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F	ZINC000822810700	606681182	/nfs/dbraw/zinc/68/11/82/606681182.db2.gz	LPBIVUWPHCORQC-UHFFFAOYSA-N	-1	3	369.335	2.096	20	30		FEEDHM
N#CCCN(Cc1cccnc1)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F	ZINC000822810700	606681183	/nfs/dbraw/zinc/68/11/83/606681183.db2.gz	LPBIVUWPHCORQC-UHFFFAOYSA-N	-1	3	369.335	2.096	20	30		FEEDHM
N#Cc1cc(NC(=O)CCc2cccc([N+](=O)[O-])c2)ccc1-c1nnn[n-]1	ZINC000822823470	606681303	/nfs/dbraw/zinc/68/13/03/606681303.db2.gz	RNEGAULLAGGNPT-UHFFFAOYSA-N	-1	3	363.337	2.218	20	30		FEEDHM
N#Cc1cc(NC(=O)CCc2cccc([N+](=O)[O-])c2)ccc1-c1nn[n-]n1	ZINC000822823470	606681304	/nfs/dbraw/zinc/68/13/04/606681304.db2.gz	RNEGAULLAGGNPT-UHFFFAOYSA-N	-1	3	363.337	2.218	20	30		FEEDHM
N#Cc1ccccc1OCCOC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F	ZINC000822842531	606759569	/nfs/dbraw/zinc/75/95/69/606759569.db2.gz	MPBGYSKXPDWWDD-UHFFFAOYSA-N	-1	3	371.303	2.252	20	30		FEEDHM
N#Cc1ccccc1OCCOC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F	ZINC000822842531	606759571	/nfs/dbraw/zinc/75/95/71/606759571.db2.gz	MPBGYSKXPDWWDD-UHFFFAOYSA-N	-1	3	371.303	2.252	20	30		FEEDHM
C=CCNc1ncc(C(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)s1	ZINC000819751563	606773147	/nfs/dbraw/zinc/77/31/47/606773147.db2.gz	WLIIVYZYDOLYFO-JTQLQIEISA-N	-1	3	355.427	2.412	20	30		FEEDHM
C=CCNc1ncc(C(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)s1	ZINC000819751563	606773150	/nfs/dbraw/zinc/77/31/50/606773150.db2.gz	WLIIVYZYDOLYFO-JTQLQIEISA-N	-1	3	355.427	2.412	20	30		FEEDHM
N#CCN(C(=O)COc1cc(Cl)ccc1-c1nnn[n-]1)c1ccccc1	ZINC000822810876	606785802	/nfs/dbraw/zinc/78/58/02/606785802.db2.gz	NLLOWDJKASLTIY-UHFFFAOYSA-N	-1	3	368.784	2.456	20	30		FEEDHM
N#CCN(C(=O)COc1cc(Cl)ccc1-c1nn[n-]n1)c1ccccc1	ZINC000822810876	606785803	/nfs/dbraw/zinc/78/58/03/606785803.db2.gz	NLLOWDJKASLTIY-UHFFFAOYSA-N	-1	3	368.784	2.456	20	30		FEEDHM
NC(=NOCCCOc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1	ZINC000822845763	606838104	/nfs/dbraw/zinc/83/81/04/606838104.db2.gz	GYYILOKMBYZVSZ-UHFFFAOYSA-N	-1	3	356.361	2.112	20	30		FEEDHM
NC(=NOCCCOc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1	ZINC000822845763	606838105	/nfs/dbraw/zinc/83/81/05/606838105.db2.gz	GYYILOKMBYZVSZ-UHFFFAOYSA-N	-1	3	356.361	2.112	20	30		FEEDHM
Cc1nc(-c2nnn[n-]2)c(N=NC2C[C@H](C)N(Cc3ccccc3)C2)o1	ZINC000822424159	606862011	/nfs/dbraw/zinc/86/20/11/606862011.db2.gz	SETYEISRHWYPNA-NSHDSACASA-N	-1	3	352.402	2.225	20	30		FEEDHM
CCc1nnc(NCc2ccc(OCC#N)cc2)c(-c2nnn[n-]2)c1CC	ZINC000821542248	606931109	/nfs/dbraw/zinc/93/11/09/606931109.db2.gz	MHARMMQMXLPHLY-UHFFFAOYSA-N	-1	3	364.413	2.296	20	30		FEEDHM
CCc1nnc(NCc2ccc(OCC#N)cc2)c(-c2nn[n-]n2)c1CC	ZINC000821542248	606931110	/nfs/dbraw/zinc/93/11/10/606931110.db2.gz	MHARMMQMXLPHLY-UHFFFAOYSA-N	-1	3	364.413	2.296	20	30		FEEDHM
COc1cccc2c1CC(=Cc1cnc3ccc(-c4nnn[n-]4)cn13)C2=O	ZINC000821877630	607111610	/nfs/dbraw/zinc/11/16/10/607111610.db2.gz	OCIRFPIUHCGHQU-GHXNOFRVSA-N	-1	3	358.361	2.345	20	30		FEEDHM
COc1cccc2c1CC(=Cc1cnc3ccc(-c4nn[n-]n4)cn13)C2=O	ZINC000821877630	607111612	/nfs/dbraw/zinc/11/16/12/607111612.db2.gz	OCIRFPIUHCGHQU-GHXNOFRVSA-N	-1	3	358.361	2.345	20	30		FEEDHM
C#CC[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F)c1ccccc1	ZINC000823838313	607938810	/nfs/dbraw/zinc/93/88/10/607938810.db2.gz	OAHSVEWDSSESBL-OAHLLOKOSA-N	-1	3	371.397	2.049	20	30		FEEDHM
C#CC[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F)c1ccccc1	ZINC000823838313	607938811	/nfs/dbraw/zinc/93/88/11/607938811.db2.gz	OAHSVEWDSSESBL-OAHLLOKOSA-N	-1	3	371.397	2.049	20	30		FEEDHM
CCC#C[C@@H](C)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1	ZINC000825029351	607958035	/nfs/dbraw/zinc/95/80/35/607958035.db2.gz	QJVOMMASWJFDHL-CYBMUJFWSA-N	-1	3	367.413	2.039	20	30		FEEDHM
C=CCCOCCNC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C	ZINC000823899440	607959016	/nfs/dbraw/zinc/95/90/16/607959016.db2.gz	WGNBZZYFXRCBHY-UHFFFAOYSA-N	-1	3	358.446	2.379	20	30		FEEDHM
C=CCCOCCNC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C	ZINC000823899440	607959017	/nfs/dbraw/zinc/95/90/17/607959017.db2.gz	WGNBZZYFXRCBHY-UHFFFAOYSA-N	-1	3	358.446	2.379	20	30		FEEDHM
Cc1cc(-c2nnn[n-]2)ccc1COC(=O)Cc1cccc(OCC#N)c1	ZINC000826254209	608030035	/nfs/dbraw/zinc/03/00/35/608030035.db2.gz	ZTJLGYMJKQZFRG-UHFFFAOYSA-N	-1	3	363.377	2.363	20	30		FEEDHM
Cc1cc(-c2nn[n-]n2)ccc1COC(=O)Cc1cccc(OCC#N)c1	ZINC000826254209	608030036	/nfs/dbraw/zinc/03/00/36/608030036.db2.gz	ZTJLGYMJKQZFRG-UHFFFAOYSA-N	-1	3	363.377	2.363	20	30		FEEDHM
N#Cc1cccc([C@@H]2CN(c3nc4c(cc3-c3nnn[n-]3)CCC4)CCO2)c1	ZINC000826386672	608053382	/nfs/dbraw/zinc/05/33/82/608053382.db2.gz	NWBSPWHJNNZEQD-SFHVURJKSA-N	-1	3	373.420	2.200	20	30		FEEDHM
N#Cc1cccc([C@@H]2CN(c3nc4c(cc3-c3nn[n-]n3)CCC4)CCO2)c1	ZINC000826386672	608053383	/nfs/dbraw/zinc/05/33/83/608053383.db2.gz	NWBSPWHJNNZEQD-SFHVURJKSA-N	-1	3	373.420	2.200	20	30		FEEDHM
N#Cc1ccc(F)c(CN2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)c1	ZINC000826385417	608069069	/nfs/dbraw/zinc/06/90/69/608069069.db2.gz	LIDSMWDNIIXWJW-SFHVURJKSA-N	-1	3	364.384	2.451	20	30		FEEDHM
N#Cc1ccc(F)c(CN2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)c1	ZINC000826385417	608069070	/nfs/dbraw/zinc/06/90/70/608069070.db2.gz	LIDSMWDNIIXWJW-SFHVURJKSA-N	-1	3	364.384	2.451	20	30		FEEDHM
N#CCc1cccc(C(=O)N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)c1	ZINC000826382611	608084696	/nfs/dbraw/zinc/08/46/96/608084696.db2.gz	MUULTYUFELJFSP-SFHVURJKSA-N	-1	3	374.404	2.146	20	30		FEEDHM
N#CCc1cccc(C(=O)N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)c1	ZINC000826382611	608084697	/nfs/dbraw/zinc/08/46/97/608084697.db2.gz	MUULTYUFELJFSP-SFHVURJKSA-N	-1	3	374.404	2.146	20	30		FEEDHM
Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1	ZINC000826245739	608084786	/nfs/dbraw/zinc/08/47/86/608084786.db2.gz	GKEMZAMRFYUJDM-GOSISDBHSA-N	-1	3	374.404	2.261	20	30		FEEDHM
Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1	ZINC000826245739	608084787	/nfs/dbraw/zinc/08/47/87/608084787.db2.gz	GKEMZAMRFYUJDM-GOSISDBHSA-N	-1	3	374.404	2.261	20	30		FEEDHM
C[C@@]1(C#N)CCCN(CC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)C1	ZINC000824779437	608125671	/nfs/dbraw/zinc/12/56/71/608125671.db2.gz	VIFHZDYOTKXGCZ-INIZCTEOSA-N	-1	3	359.821	2.084	20	30		FEEDHM
C[C@@]1(C#N)CCCN(CC(=O)Nc2cc(Cl)ccc2-c2nn[n-]n2)C1	ZINC000824779437	608125672	/nfs/dbraw/zinc/12/56/72/608125672.db2.gz	VIFHZDYOTKXGCZ-INIZCTEOSA-N	-1	3	359.821	2.084	20	30		FEEDHM
Cc1nc(Cl)ccc1CC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1	ZINC000826327202	608308431	/nfs/dbraw/zinc/30/84/31/608308431.db2.gz	XEZXBBTWIYVGMC-UHFFFAOYSA-N	-1	3	353.773	2.276	20	30		FEEDHM
Cc1nc(Cl)ccc1CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1	ZINC000826327202	608308433	/nfs/dbraw/zinc/30/84/33/608308433.db2.gz	XEZXBBTWIYVGMC-UHFFFAOYSA-N	-1	3	353.773	2.276	20	30		FEEDHM
C=CCOc1cccnc1C(=O)OCc1ccc(OC)c(-c2nnn[n-]2)c1	ZINC000823932465	608457737	/nfs/dbraw/zinc/45/77/37/608457737.db2.gz	ZTYIRWXPVKDOMN-UHFFFAOYSA-N	-1	3	367.365	2.192	20	30		FEEDHM
C=CCOc1cccnc1C(=O)OCc1ccc(OC)c(-c2nn[n-]n2)c1	ZINC000823932465	608457738	/nfs/dbraw/zinc/45/77/38/608457738.db2.gz	ZTYIRWXPVKDOMN-UHFFFAOYSA-N	-1	3	367.365	2.192	20	30		FEEDHM
COCCOc1cccc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)c1	ZINC000826163195	608537424	/nfs/dbraw/zinc/53/74/24/608537424.db2.gz	JVBCXWORKWHSKV-UHFFFAOYSA-N	-1	3	373.804	2.386	20	30		FEEDHM
COCCOc1cccc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)c1	ZINC000826163195	608537425	/nfs/dbraw/zinc/53/74/25/608537425.db2.gz	JVBCXWORKWHSKV-UHFFFAOYSA-N	-1	3	373.804	2.386	20	30		FEEDHM
N#Cc1c(F)cccc1N1CCN(Cc2ccc(-c3nnn[n-]3)s2)CC1	ZINC000826382909	608596338	/nfs/dbraw/zinc/59/63/38/608596338.db2.gz	AEYFSDHLCOLQQP-UHFFFAOYSA-N	-1	3	369.429	2.261	20	30		FEEDHM
N#Cc1c(F)cccc1N1CCN(Cc2ccc(-c3nn[n-]n3)s2)CC1	ZINC000826382909	608596339	/nfs/dbraw/zinc/59/63/39/608596339.db2.gz	AEYFSDHLCOLQQP-UHFFFAOYSA-N	-1	3	369.429	2.261	20	30		FEEDHM
C[C@@H](C#N)Oc1ccccc1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1	ZINC000824034752	609164159	/nfs/dbraw/zinc/16/41/59/609164159.db2.gz	OMKHDQJJSCUDDS-LBPRGKRZSA-N	-1	3	363.381	2.479	20	30		FEEDHM
C[C@@H](C#N)Oc1ccccc1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1	ZINC000824034752	609164160	/nfs/dbraw/zinc/16/41/60/609164160.db2.gz	OMKHDQJJSCUDDS-LBPRGKRZSA-N	-1	3	363.381	2.479	20	30		FEEDHM
COc1cccc2[nH]cc(CC(=O)Nc3ccc(-c4nnn[n-]4)c(C#N)c3)c21	ZINC000826217243	609465032	/nfs/dbraw/zinc/46/50/32/609465032.db2.gz	DMQKFIBBNOEWFX-UHFFFAOYSA-N	-1	3	373.376	2.409	20	30		FEEDHM
COc1cccc2[nH]cc(CC(=O)Nc3ccc(-c4nn[n-]n4)c(C#N)c3)c21	ZINC000826217243	609465033	/nfs/dbraw/zinc/46/50/33/609465033.db2.gz	DMQKFIBBNOEWFX-UHFFFAOYSA-N	-1	3	373.376	2.409	20	30		FEEDHM
CNC(=O)c1ccc(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1	ZINC000826067465	609473487	/nfs/dbraw/zinc/47/34/87/609473487.db2.gz	GLAACOSAOGTGTM-UHFFFAOYSA-N	-1	3	355.789	2.326	20	30		FEEDHM
CNC(=O)c1ccc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1	ZINC000826067465	609473489	/nfs/dbraw/zinc/47/34/89/609473489.db2.gz	GLAACOSAOGTGTM-UHFFFAOYSA-N	-1	3	355.789	2.326	20	30		FEEDHM
C[C@@H](C#N)Oc1ccccc1NCC(=O)Nc1cccc(-c2nnn[n-]2)c1	ZINC000824034949	609512227	/nfs/dbraw/zinc/51/22/27/609512227.db2.gz	QOPMDNMIALVIAW-LBPRGKRZSA-N	-1	3	363.381	2.208	20	30		FEEDHM
C[C@@H](C#N)Oc1ccccc1NCC(=O)Nc1cccc(-c2nn[n-]n2)c1	ZINC000824034949	609512229	/nfs/dbraw/zinc/51/22/29/609512229.db2.gz	QOPMDNMIALVIAW-LBPRGKRZSA-N	-1	3	363.381	2.208	20	30		FEEDHM
N#Cc1cccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)c1	ZINC000826387359	609535983	/nfs/dbraw/zinc/53/59/83/609535983.db2.gz	REGGFEGOUKTNRC-UHFFFAOYSA-N	-1	3	361.770	2.159	20	30		FEEDHM
N#Cc1cccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)c1	ZINC000826387359	609535985	/nfs/dbraw/zinc/53/59/85/609535985.db2.gz	REGGFEGOUKTNRC-UHFFFAOYSA-N	-1	3	361.770	2.159	20	30		FEEDHM
Cc1c(Cl)cnc(NCCNc2ncccc2-c2nnn[n-]2)c1C#N	ZINC000826240079	609539416	/nfs/dbraw/zinc/53/94/16/609539416.db2.gz	AVBLWSOWMMXNNZ-UHFFFAOYSA-N	-1	3	355.793	2.014	20	30		FEEDHM
Cc1c(Cl)cnc(NCCNc2ncccc2-c2nn[n-]n2)c1C#N	ZINC000826240079	609539418	/nfs/dbraw/zinc/53/94/18/609539418.db2.gz	AVBLWSOWMMXNNZ-UHFFFAOYSA-N	-1	3	355.793	2.014	20	30		FEEDHM
C=CCCCCCCCNC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000810765259	674560471	/nfs/dbraw/zinc/56/04/71/674560471.db2.gz	XJQSOCOIAHYYKR-UHFFFAOYSA-N	-1	3	363.483	2.368	20	30		FEEDHM
N#Cc1cc([O-])cc(C(=O)OCC(=O)N2CCC[C@@H](C(F)(F)F)C2)c1	ZINC000811186550	674586883	/nfs/dbraw/zinc/58/68/83/674586883.db2.gz	QJXNAFMPQDQEOJ-GFCCVEGCSA-N	-1	3	356.300	2.222	20	30		FEEDHM
CC(C)(CCC#N)CNC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1	ZINC000811918398	674639280	/nfs/dbraw/zinc/63/92/80/674639280.db2.gz	RFRARVFNAFIRCF-GFCCVEGCSA-N	-1	3	362.396	2.416	20	30		FEEDHM
Cc1cc(C[N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)no1	ZINC000562412742	674752854	/nfs/dbraw/zinc/75/28/54/674752854.db2.gz	LUWIRIFYXKNNDF-UHFFFAOYSA-N	-1	3	356.201	2.096	20	30		FEEDHM
Cc1nn(-c2ccccc2)c2sc(C(=O)N[C@@H]3CCN([O-])C3=O)cc12	ZINC000816690024	675073510	/nfs/dbraw/zinc/07/35/10/675073510.db2.gz	FMWPQWKEBQEMAT-CYBMUJFWSA-N	-1	3	356.407	2.115	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ncc(C)s2)ccc1F	ZINC000045295340	670202347	/nfs/dbraw/zinc/20/23/47/670202347.db2.gz	SKVJREJJKBIZEL-UHFFFAOYSA-N	-1	3	355.416	2.307	20	30		FEEDHM
C=CCC(F)(F)C(=O)[N-][C@@H]1CN(c2ccc(Br)cc2)C1=O	ZINC000817028139	675093811	/nfs/dbraw/zinc/09/38/11/675093811.db2.gz	AZAJCSAJZHXXEA-LLVKDONJSA-N	-1	3	359.170	2.492	20	30		FEEDHM
CCS(=O)(=O)[N-]c1ccc(NC(=O)C#Cc2ccccc2)cc1OC	ZINC000080582414	670626669	/nfs/dbraw/zinc/62/66/69/670626669.db2.gz	YSFZHBCUHOJBLQ-UHFFFAOYSA-N	-1	3	358.419	2.447	20	30		FEEDHM
N#CC1(CS(=O)(=O)[N-][C@@H]([C@@H]2CCCO2)C2(CO)CCC2)CCCCC1	ZINC000581636722	671920150	/nfs/dbraw/zinc/92/01/50/671920150.db2.gz	MWQYKJUUWGMIIM-HOTGVXAUSA-N	-1	3	370.515	2.090	20	30		FEEDHM
C=CCNS(=O)(=O)c1cc(C(=O)Nc2cccc([O-])c2F)ccc1F	ZINC000129506854	672063042	/nfs/dbraw/zinc/06/30/42/672063042.db2.gz	WJNFHTRGQRAGDW-UHFFFAOYSA-N	-1	3	368.361	2.387	20	30		FEEDHM
C#CCN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)C1CCCC1	ZINC000164351828	672312832	/nfs/dbraw/zinc/31/28/32/672312832.db2.gz	RMGFEMMQYPPUKT-UHFFFAOYSA-N	-1	3	364.442	2.284	20	30		FEEDHM
COC(=O)c1c(F)ccc(S(=O)(=O)[N-]Cc2cccc(C#N)c2)c1F	ZINC000177698258	672385354	/nfs/dbraw/zinc/38/53/54/672385354.db2.gz	PBYOMUJUNWVYJY-UHFFFAOYSA-N	-1	3	366.345	2.102	20	30		FEEDHM
COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cncc(C#N)c2)c1	ZINC000589586520	672532464	/nfs/dbraw/zinc/53/24/64/672532464.db2.gz	DQIMTTGGOHFYHQ-UHFFFAOYSA-N	-1	3	351.771	2.194	20	30		FEEDHM
N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CC[C@@](O)(C(F)(F)F)C2)c1	ZINC000589923774	672547893	/nfs/dbraw/zinc/54/78/93/672547893.db2.gz	VLUFNHRFROISCU-SKDRFNHKSA-N	-1	3	368.764	2.336	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H](OC(F)F)C1	ZINC000611573688	676044847	/nfs/dbraw/zinc/04/48/47/676044847.db2.gz	SOKSWOAZZNXODB-LBPRGKRZSA-N	-1	3	353.369	2.439	20	30		FEEDHM
CCS(=O)(=O)[N-]c1ccc(NC(=O)NCC(C)(C)C#N)cc1OC	ZINC000611614572	676047761	/nfs/dbraw/zinc/04/77/61/676047761.db2.gz	GKYYRCMTVVJBBZ-UHFFFAOYSA-N	-1	3	354.432	2.128	20	30		FEEDHM
COCCOc1cc(C)ccc1C[N-]S(=O)(=O)c1ccsc1C#N	ZINC000593558817	672942506	/nfs/dbraw/zinc/94/25/06/672942506.db2.gz	GHFXMKLRFKXFDL-UHFFFAOYSA-N	-1	3	366.464	2.432	20	30		FEEDHM
CC(=NNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc([O-])cc1F	ZINC000729931854	673254509	/nfs/dbraw/zinc/25/45/09/673254509.db2.gz	WXJFGXWXOSUYHE-UHFFFAOYSA-N	-1	3	367.358	2.450	20	30		FEEDHM
CS(=O)(=O)[N-]c1ccc(C(=O)OCc2ccc(OCC#N)cc2)cc1	ZINC000733406944	673414999	/nfs/dbraw/zinc/41/49/99/673414999.db2.gz	GCLJRQVHDVSMOB-UHFFFAOYSA-N	-1	3	360.391	2.317	20	30		FEEDHM
C=CC[C@@H](CO)C[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)OC	ZINC000539222172	673479142	/nfs/dbraw/zinc/47/91/42/673479142.db2.gz	MMUXFMWDRNKLJK-LLVKDONJSA-N	-1	3	369.464	2.151	20	30		FEEDHM
C[C@@H](Sc1ccnc2cc(Cl)ccc21)C(=O)N[C@@H]1CCN([O-])C1=O	ZINC000820149500	675339869	/nfs/dbraw/zinc/33/98/69/675339869.db2.gz	PPBLLZCAUAEWAY-BXKDBHETSA-N	-1	3	365.842	2.475	20	30		FEEDHM
C[C@H](CC(=O)NCCCCC1CC1)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000825680498	675663366	/nfs/dbraw/zinc/66/33/66/675663366.db2.gz	MJECWGGMAOQCIP-CYBMUJFWSA-N	-1	3	363.483	2.200	20	30		FEEDHM
N#C[C@]1(F)CCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1	ZINC000615825839	676231102	/nfs/dbraw/zinc/23/11/02/676231102.db2.gz	TZVJLQKIRUMWLY-OAHLLOKOSA-N	-1	3	364.174	2.368	20	30		FEEDHM
N#Cc1ccc(CS(=O)(=O)[N-][C@H](CO)c2cc(F)ccc2F)c(F)c1	ZINC000616418031	676249417	/nfs/dbraw/zinc/24/94/17/676249417.db2.gz	SCCALNRABKUXHV-MRXNPFEDSA-N	-1	3	370.352	2.129	20	30		FEEDHM
C=CC[C@@H](CO)C[N-]S(=O)(=O)c1sc(Br)cc1C	ZINC000651629310	677439610	/nfs/dbraw/zinc/43/96/10/677439610.db2.gz	ROWDYWGMUOVQSN-SECBINFHSA-N	-1	3	354.291	2.282	20	30		FEEDHM
CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OCCSC	ZINC000839224358	680745572	/nfs/dbraw/zinc/74/55/72/680745572.db2.gz	SEQCQEWVJMLCOS-ZDUSSCGKSA-N	-1	3	370.496	2.190	20	30		FEEDHM
CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)O[C@H](C)C1CC1	ZINC000764588664	680816057	/nfs/dbraw/zinc/81/60/57/680816057.db2.gz	LIIHKFKHPYHCMT-DOMZBBRYSA-N	-1	3	364.467	2.482	20	30		FEEDHM
COc1c(F)cc(Br)cc1S(=O)(=O)[N-][C@@H](C#N)C(C)C	ZINC000766047792	680864221	/nfs/dbraw/zinc/86/42/21/680864221.db2.gz	VAJWRNWSTDJMFP-JTQLQIEISA-N	-1	3	365.224	2.423	20	30		FEEDHM
N#CC1(C[N-]S(=O)(=O)c2cnc(Cl)c(Br)c2)CC1	ZINC000831357735	679971225	/nfs/dbraw/zinc/97/12/25/679971225.db2.gz	BQIJJMAGYJNARJ-UHFFFAOYSA-N	-1	3	350.625	2.080	20	30		FEEDHM
C[C@@H]1CCC[C@@H](CCOC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)C1	ZINC000757024559	680511185	/nfs/dbraw/zinc/51/11/85/680511185.db2.gz	JMQABRDPSCZTAY-KGLIPLIRSA-N	-1	3	364.467	2.485	20	30		FEEDHM
C[C@H](NC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21)[C@@H]1CCC[C@@H](C)C1	ZINC000837154744	680560980	/nfs/dbraw/zinc/56/09/80/680560980.db2.gz	OXCLYMZFNYPUON-HZSPNIEDSA-N	-1	3	363.483	2.056	20	30		FEEDHM
C[C@H](CC(=O)N[C@@H](C)CC(C)(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000837228455	680571134	/nfs/dbraw/zinc/57/11/34/680571134.db2.gz	HWCHSCDMRDXREM-OLZOCXBDSA-N	-1	3	365.499	2.445	20	30		FEEDHM
CCOC(=O)Nc1ccc([N-]S(=O)(=O)C[C@@H](OC)C2CC2)cc1C#N	ZINC000842585023	680953473	/nfs/dbraw/zinc/95/34/73/680953473.db2.gz	PBJQKARXVIVECZ-OAHLLOKOSA-N	-1	3	367.427	2.293	20	30		FEEDHM
CCc1ccc(NC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1C	ZINC000769777692	680994698	/nfs/dbraw/zinc/99/46/98/680994698.db2.gz	WZULSMBLHCUKTC-UHFFFAOYSA-N	-1	3	357.435	2.235	20	30		FEEDHM
C#C[C@@H](CCC)NS(=O)(=O)c1ccc([N-]S(=O)(=O)CCCC)cc1	ZINC000770391869	681014655	/nfs/dbraw/zinc/01/46/55/681014655.db2.gz	ZZGOCAQEBRMAPP-AWEZNQCLSA-N	-1	3	372.512	2.309	20	30		FEEDHM
CSCCN=c1scc(-c2ccccc2[O-])n1N=Cc1cnn(C)n1	ZINC000844563667	681065735	/nfs/dbraw/zinc/06/57/35/681065735.db2.gz	SACXBUJRJWJJNQ-UHFFFAOYSA-N	-1	3	374.495	2.197	20	30		FEEDHM
CC#CCC[N-]S(=O)(=O)c1cc(Br)cc(F)c1OC	ZINC000772927930	681118320	/nfs/dbraw/zinc/11/83/20/681118320.db2.gz	WYPCNGWGBPDAID-UHFFFAOYSA-N	-1	3	350.209	2.289	20	30		FEEDHM
C#C[C@H](NC(=O)NCc1ccc([O-])c(Br)c1)[C@@H]1CCCO1	ZINC000773558451	681148152	/nfs/dbraw/zinc/14/81/52/681148152.db2.gz	MTMUFVVMFZVBCF-JSGCOSHPSA-N	-1	3	353.216	2.135	20	30		FEEDHM
CCOCCON=Cc1cc(I)c([O-])c(OC)c1	ZINC000774418165	681185727	/nfs/dbraw/zinc/18/57/27/681185727.db2.gz	RWSHOZFBNBKOSV-UHFFFAOYSA-N	-1	3	365.167	2.392	20	30		FEEDHM
C=C[C@@H](C)ONC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl	ZINC000846542047	681257293	/nfs/dbraw/zinc/25/72/93/681257293.db2.gz	SLRMXNXKRDJKGN-SECBINFHSA-N	-1	3	367.254	2.284	20	30		FEEDHM
CCN(C(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21)[C@@H](C)C(C)C	ZINC000848100296	681472882	/nfs/dbraw/zinc/47/28/82/681472882.db2.gz	MIZVLDJOOCZBGW-KBPBESRZSA-N	-1	3	365.499	2.397	20	30		FEEDHM
O=C(N[C@H]1CCCN([O-])C1=O)c1cc(Cl)c(Br)cc1F	ZINC000848131451	681477568	/nfs/dbraw/zinc/47/75/68/681477568.db2.gz	GSAWTOWULLDSLR-JTQLQIEISA-N	-1	3	365.586	2.352	20	30		FEEDHM
O=C(N[C@H]1CCCN([O-])C1=O)c1cc(Br)cc2cccnc21	ZINC000848134912	681478063	/nfs/dbraw/zinc/47/80/63/681478063.db2.gz	FVMUDJYCQKEJAP-LBPRGKRZSA-N	-1	3	364.199	2.107	20	30		FEEDHM
C=CCC[N-]S(=O)(=O)c1cc(C(=O)OC)c(F)cc1Br	ZINC000849426090	681730253	/nfs/dbraw/zinc/73/02/53/681730253.db2.gz	OWQTWCNURDXBTK-UHFFFAOYSA-N	-1	3	366.208	2.229	20	30		FEEDHM
C=CCC1([N-]S(=O)(=O)c2cc(C(=O)OCC)ccc2F)CCOCC1	ZINC000849452403	681741494	/nfs/dbraw/zinc/74/14/94/681741494.db2.gz	PSFXQUKYFFCEQU-UHFFFAOYSA-N	-1	3	371.430	2.406	20	30		FEEDHM
C=CCOCC[N-]S(=O)(=O)c1cc(Br)cc(F)c1OC	ZINC000779954672	681775522	/nfs/dbraw/zinc/77/55/22/681775522.db2.gz	SPRWNHKXQQJPFB-UHFFFAOYSA-N	-1	3	368.224	2.078	20	30		FEEDHM
Cc1cc(C#N)cc(C)c1CS(=O)(=O)[N-][C@@H](C)C(=O)OC(C)(C)C	ZINC000914078307	685493705	/nfs/dbraw/zinc/49/37/05/685493705.db2.gz	AWJRCVMFEZTKOU-ZDUSSCGKSA-N	-1	3	352.456	2.325	20	30		FEEDHM
CC(C)(C#N)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br	ZINC000781783975	681973116	/nfs/dbraw/zinc/97/31/16/681973116.db2.gz	YNRSSQACHXPIOT-UHFFFAOYSA-N	-1	3	362.205	2.185	20	30		FEEDHM
Cc1ncc(CO)c(C=NNC(=S)N[C@@H]2CCC[C@@H](C)[C@@H]2C)c1[O-]	ZINC000916352567	685523794	/nfs/dbraw/zinc/52/37/94/685523794.db2.gz	RUALWOFYIHSMIZ-JRPNMDOOSA-N	-1	3	350.488	2.211	20	30		FEEDHM
CC(C)(C)[C@H]([N-]S(C)(=O)=O)C(=O)OCc1ccc(C#N)cc1Cl	ZINC000784239069	682209821	/nfs/dbraw/zinc/20/98/21/682209821.db2.gz	YUSBUAAVFUXMDR-CYBMUJFWSA-N	-1	3	358.847	2.219	20	30		FEEDHM
COC1(OC)CCCC[C@H]1[N-]S(=O)(=O)Cc1ccc(CC#N)cc1	ZINC000918060805	685536911	/nfs/dbraw/zinc/53/69/11/685536911.db2.gz	IBZIXQDGXDILEZ-MRXNPFEDSA-N	-1	3	352.456	2.104	20	30		FEEDHM
CCCC[C@@H](CC)COC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000918494138	685539606	/nfs/dbraw/zinc/53/96/06/685539606.db2.gz	OCRWMJNYXKHVJT-CYBMUJFWSA-N	-1	3	352.456	2.485	20	30		FEEDHM
C=C[C@H]1CCCCN1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1	ZINC000785854503	682331715	/nfs/dbraw/zinc/33/17/15/682331715.db2.gz	HFZLLBFGKFOQLQ-AWEZNQCLSA-N	-1	3	352.431	2.447	20	30		FEEDHM
C=C(C)C[C@@H]([N-]S(=O)(=O)Cc1c(C)cc(C#N)cc1C)C(=O)OC	ZINC000918792135	685542282	/nfs/dbraw/zinc/54/22/82/685542282.db2.gz	HHBVAEOIEQVNCO-MRXNPFEDSA-N	-1	3	350.440	2.102	20	30		FEEDHM
CCN(C[C@H](C)C#N)C(=O)COC(=O)CCCc1ccc([O-])c(F)c1	ZINC000787844372	682484033	/nfs/dbraw/zinc/48/40/33/682484033.db2.gz	KAPHISRZIFEVFG-CYBMUJFWSA-N	-1	3	350.390	2.405	20	30		FEEDHM
CC[C@H](C)N(CC)C(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000855149121	682632884	/nfs/dbraw/zinc/63/28/84/682632884.db2.gz	UWUICSQOCGAPPA-OLZOCXBDSA-N	-1	3	351.472	2.151	20	30		FEEDHM
CC[C@H](C)N(CC)C(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000855149122	682633012	/nfs/dbraw/zinc/63/30/12/682633012.db2.gz	UWUICSQOCGAPPA-STQMWFEESA-N	-1	3	351.472	2.151	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H]2CC[C@@H](C)C2)ccc1F	ZINC000794253842	682949943	/nfs/dbraw/zinc/94/99/43/682949943.db2.gz	XLLYCJDCAQZQJA-CHWSQXEVSA-N	-1	3	354.447	2.456	20	30		FEEDHM
CN(C)S(=O)(=O)C[C@H](/N=C/c1cc(Cl)ccc1[O-])C(F)(F)F	ZINC000794677790	682989295	/nfs/dbraw/zinc/98/92/95/682989295.db2.gz	YNPOUAIURRUPMC-HMVWTOQKSA-N	-1	3	358.769	2.287	20	30		FEEDHM
CCCC[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OCC(C)(F)F	ZINC000861227388	683372662	/nfs/dbraw/zinc/37/26/62/683372662.db2.gz	UKVDVDMDZBZZBR-GFCCVEGCSA-N	-1	3	374.409	2.482	20	30		FEEDHM
C=CCCC[C@H]([N-]S(=O)(=O)CCc1noc2ccccc12)C(=O)OC	ZINC000921382983	683448104	/nfs/dbraw/zinc/44/81/04/683448104.db2.gz	MRXRFWGWWPGEEF-HNNXBMFYSA-N	-1	3	366.439	2.188	20	30		FEEDHM
CC1(C)CCC[C@H]1CCNC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000862363382	683577693	/nfs/dbraw/zinc/57/76/93/683577693.db2.gz	OKFTTXGNGXZFDB-ZDUSSCGKSA-N	-1	3	363.483	2.058	20	30		FEEDHM
C=C(C)C[C@@H](CO)NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1	ZINC000922739865	683775399	/nfs/dbraw/zinc/77/53/99/683775399.db2.gz	DTJQWFREMNHTOQ-NSHDSACASA-N	-1	3	365.227	2.348	20	30		FEEDHM
C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1Cc2nc(C)[n-]c(=O)c2C1	ZINC000931317061	684260990	/nfs/dbraw/zinc/26/09/90/684260990.db2.gz	LWMOQLIHAMVTDM-GFCCVEGCSA-N	-1	3	358.467	2.471	20	30		FEEDHM
Cc1cc(NC(=O)N[C@@H]2CCCN([O-])C2=O)nn1-c1cccc(Cl)c1	ZINC000879128536	686748091	/nfs/dbraw/zinc/74/80/91/686748091.db2.gz	OEDMATAKAMECEA-CYBMUJFWSA-N	-1	3	363.805	2.336	20	30		FEEDHM
O=C(N[C@H](c1cccc(F)c1F)C(F)(F)F)N[C@@H]1CCCN([O-])C1=O	ZINC000879272028	686784694	/nfs/dbraw/zinc/78/46/94/686784694.db2.gz	KLPVXWRMABIBPR-MWLCHTKSSA-N	-1	3	367.274	2.248	20	30		FEEDHM
C=C(C)C[C@@H]([N-]S(=O)(=O)CCc1noc2ccccc21)C(=O)OCC	ZINC000882645520	687425890	/nfs/dbraw/zinc/42/58/90/687425890.db2.gz	YIUJXYWCOXUEST-OAHLLOKOSA-N	-1	3	366.439	2.188	20	30		FEEDHM
C=C(C)C[C@@H](CO)[N-]S(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C	ZINC000882847494	687511819	/nfs/dbraw/zinc/51/18/19/687511819.db2.gz	LDKUWAFVSUXHSB-VIFPVBQESA-N	-1	3	367.876	2.102	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H]3CCC[C@@H]32)ccc1F	ZINC000890242347	688896410	/nfs/dbraw/zinc/89/64/10/688896410.db2.gz	GTKMZAKVOZPLJT-WFASDCNBSA-N	-1	3	352.431	2.305	20	30		FEEDHM
COc1ccc(OCc2nc(CN[C@H]3CCCN([O-])C3=O)cs2)cc1	ZINC000895167547	689670290	/nfs/dbraw/zinc/67/02/90/689670290.db2.gz	YBDHPJLNPLHXTK-HNNXBMFYSA-N	-1	3	363.439	2.201	20	30		FEEDHM
O=C1[C@H](NCc2nc(-c3cccc(Br)c3)c[nH]2)CCCN1[O-]	ZINC000895166841	689670414	/nfs/dbraw/zinc/67/04/14/689670414.db2.gz	SHUYDENZTUAAHS-GFCCVEGCSA-N	-1	3	365.231	2.309	20	30		FEEDHM
O=C1[C@H](NCc2cc(Cl)ccc2OC[C@H]2CCCO2)CCCN1[O-]	ZINC000895166049	689670605	/nfs/dbraw/zinc/67/06/05/689670605.db2.gz	OQYLEHATIVGOBJ-HUUCEWRRSA-N	-1	3	354.834	2.368	20	30		FEEDHM
C#CCSCC(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O	ZINC000900590710	690535328	/nfs/dbraw/zinc/53/53/28/690535328.db2.gz	MLSXRJAEGMQITI-UHFFFAOYSA-N	-1	3	366.386	2.382	20	30		FEEDHM
CC1CCC(NS(=O)(=O)CC(=O)N([O-])Cc2ccc(F)cc2)CC1	ZINC000901374903	690641533	/nfs/dbraw/zinc/64/15/33/690641533.db2.gz	WBVSHHDLKQUJIV-UHFFFAOYSA-N	-1	3	358.435	2.042	20	30		FEEDHM
O=C(CCN1C(=O)CCNC1=S)N([O-])Cc1cccc2ccccc21	ZINC000904170730	691009367	/nfs/dbraw/zinc/00/93/67/691009367.db2.gz	GIPALUAPKONJAC-UHFFFAOYSA-N	-1	3	357.435	2.055	20	30		FEEDHM
C[C@H](C(=O)N([O-])Cc1ccccc1Cl)N1C(=O)NC2(CCCC2)C1=O	ZINC000904188603	691011061	/nfs/dbraw/zinc/01/10/61/691011061.db2.gz	GSFDPCDDCJXVAQ-LLVKDONJSA-N	-1	3	365.817	2.311	20	30		FEEDHM
C#CCN(C)CCCNC(=O)N[C@@H](C(=O)[O-])c1cccc(C(F)(F)F)c1	ZINC000909037354	939372234	/nfs/dbraw/zinc/37/22/34/939372234.db2.gz	HVDCYZYBAPCEDN-CQSZACIVSA-N	-1	3	371.359	2.085	20	30		FEEDHM
Cc1csc(C(C#N)=C([O-])c2ccc3c(c2)CCN3S(C)(=O)=O)n1	ZINC000041518902	540023723	/nfs/dbraw/zinc/02/37/23/540023723.db2.gz	GURIQELKUPYMOF-ZDUSSCGKSA-N	-1	3	361.448	2.264	20	30		FEEDHM
Cc1cc(C(C#N)=C([O-])c2ccc(-n3cncn3)c([N+](=O)[O-])c2)nc(C)n1	ZINC000049405117	540389612	/nfs/dbraw/zinc/38/96/12/540389612.db2.gz	FFLXGGVOKZFZDW-ZDUSSCGKSA-N	-1	3	363.337	2.072	20	30		FEEDHM
N#Cc1cc([N+](=O)[O-])ccc1N1CCN(C(=O)c2ccccc2[O-])CC1	ZINC000058773108	540855842	/nfs/dbraw/zinc/85/58/42/540855842.db2.gz	PUIWCCQYIKVVAT-UHFFFAOYSA-N	-1	3	352.350	2.134	20	30		FEEDHM
COc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CCC[C@@H]1C#N	ZINC000061890902	541141795	/nfs/dbraw/zinc/14/17/95/541141795.db2.gz	MAEWFNZOKBZBQS-MWLCHTKSSA-N	-1	3	359.245	2.428	20	30		FEEDHM
Cc1ccc2c(c1)C(=O)N(CC(=O)Nc1nnc(-c3ccccn3)[n-]1)C2=O	ZINC000065880273	541268926	/nfs/dbraw/zinc/26/89/26/541268926.db2.gz	CPWYKSOUAJXREQ-UHFFFAOYSA-N	-1	3	362.349	2.059	20	30		FEEDHM
Cc1ccc2c(c1)C(=O)N(CC(=O)Nc1nc(-c3ccccn3)n[n-]1)C2=O	ZINC000065880273	541268930	/nfs/dbraw/zinc/26/89/30/541268930.db2.gz	CPWYKSOUAJXREQ-UHFFFAOYSA-N	-1	3	362.349	2.059	20	30		FEEDHM
Cc1ccc2c(c1)C(=O)N(CC(=O)Nc1n[n-]c(-c3ccccn3)n1)C2=O	ZINC000065880273	541268935	/nfs/dbraw/zinc/26/89/35/541268935.db2.gz	CPWYKSOUAJXREQ-UHFFFAOYSA-N	-1	3	362.349	2.059	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H](C)Oc1ccccc1	ZINC000070898124	541750630	/nfs/dbraw/zinc/75/06/30/541750630.db2.gz	FINZYAZHIQYEFX-CYBMUJFWSA-N	-1	3	353.422	2.380	20	30		FEEDHM
CC(=O)c1cc(F)cc(CN2CCN(c3cc(C#N)ccn3)CC2)c1[O-]	ZINC000079398507	542515543	/nfs/dbraw/zinc/51/55/43/542515543.db2.gz	TVSHVIAEXZJWND-UHFFFAOYSA-N	-1	3	354.385	2.323	20	30		FEEDHM
C=CCN(Cc1ccccc1F)C(=O)c1cc(S(=O)(=O)[N-]C)oc1C	ZINC000081708807	542673121	/nfs/dbraw/zinc/67/31/21/542673121.db2.gz	KCNAULYPWISOFO-UHFFFAOYSA-N	-1	3	366.414	2.464	20	30		FEEDHM
CC[C@H](C#N)S(=O)(=O)[N-]c1ccccc1I	ZINC000088474186	542752162	/nfs/dbraw/zinc/75/21/62/542752162.db2.gz	VTZVHWHQJZQGRN-MRVPVSSYSA-N	-1	3	350.181	2.335	20	30		FEEDHM
COc1cc(C#N)ccc1OCC(=O)[N-]c1nncn1Cc1ccccc1	ZINC000117733294	543638411	/nfs/dbraw/zinc/63/84/11/543638411.db2.gz	ZMKZPRLWZDBVBU-UHFFFAOYSA-N	-1	3	363.377	2.224	20	30		FEEDHM
Cc1nc(C2([N-]S(=O)(=O)Cc3cc(C#N)ccc3F)CCCC2)no1	ZINC000120775227	543684550	/nfs/dbraw/zinc/68/45/50/543684550.db2.gz	SDNRGBXCYOHYPO-UHFFFAOYSA-N	-1	3	364.402	2.278	20	30		FEEDHM
Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(-c2nnn[n-]2)cc1	ZINC000129230647	544098319	/nfs/dbraw/zinc/09/83/19/544098319.db2.gz	SRSSHWGKALYMKE-UHFFFAOYSA-N	-1	3	364.413	2.165	20	30		FEEDHM
Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(-c2nn[n-]n2)cc1	ZINC000129230647	544098321	/nfs/dbraw/zinc/09/83/21/544098321.db2.gz	SRSSHWGKALYMKE-UHFFFAOYSA-N	-1	3	364.413	2.165	20	30		FEEDHM
N#Cc1ccc(N2CCC[C@H]([N-]S(=O)(=O)c3ccccn3)C2)c(F)c1	ZINC000131888359	544210937	/nfs/dbraw/zinc/21/09/37/544210937.db2.gz	FYXHHBABDMIQHG-AWEZNQCLSA-N	-1	3	360.414	2.040	20	30		FEEDHM
COc1cc(S(=O)(=O)[N-]C(C)(C)C#N)c(OC)cc1Br	ZINC000153548365	544789851	/nfs/dbraw/zinc/78/98/51/544789851.db2.gz	FWSCMBNHEXZTQV-UHFFFAOYSA-N	-1	3	363.233	2.047	20	30		FEEDHM
C=C[C@H](C)NC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl	ZINC000153929434	544841956	/nfs/dbraw/zinc/84/19/56/544841956.db2.gz	IASITQUVULELRY-VIFPVBQESA-N	-1	3	351.255	2.353	20	30		FEEDHM
Cc1ccccc1C[C@H](CO)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl	ZINC000188287077	328078250	/nfs/dbraw/zinc/07/82/50/328078250.db2.gz	JVGPIAHQVILSCY-OAHLLOKOSA-N	-1	3	364.854	2.402	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(-c2nnco2)c1	ZINC000044891500	324567203	/nfs/dbraw/zinc/56/72/03/324567203.db2.gz	FYIZPKPZRBWKTK-UHFFFAOYSA-N	-1	3	363.377	2.485	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCN(C)CC12CCCCC2	ZINC000080941102	325149377	/nfs/dbraw/zinc/14/93/77/325149377.db2.gz	CEFGILNBGBVTIM-UHFFFAOYSA-N	-1	3	370.497	2.273	20	30		FEEDHM
CCc1cnc(CN(C)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)s1	ZINC000081081320	325158494	/nfs/dbraw/zinc/15/84/94/325158494.db2.gz	OHGVBFJYXQLLSY-UHFFFAOYSA-N	-1	3	358.467	2.474	20	30		FEEDHM
CCOc1cccc(COC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)n1	ZINC000129472239	326541112	/nfs/dbraw/zinc/54/11/12/326541112.db2.gz	PGULUYJQTGLSJX-UHFFFAOYSA-N	-1	3	355.394	2.333	20	30		FEEDHM
N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@@H]1CCCN(c2ccccn2)C1	ZINC000166116335	327080465	/nfs/dbraw/zinc/08/04/65/327080465.db2.gz	TVWYSTHWCCIHSN-OAHLLOKOSA-N	-1	3	360.414	2.040	20	30		FEEDHM
CCc1nnc(N2CCN(C(=O)c3ccccc3[O-])CC2)c(C#N)c1CC	ZINC000268164369	329392273	/nfs/dbraw/zinc/39/22/73/329392273.db2.gz	OFHCCQVPVBRBHK-UHFFFAOYSA-N	-1	3	365.437	2.141	20	30		FEEDHM
Cc1nc(C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)ccc1[C@H](C)O	ZINC000274758684	329977416	/nfs/dbraw/zinc/97/74/16/329977416.db2.gz	MZLIFJNDVBTARN-NSHDSACASA-N	-1	3	365.842	2.447	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CCO[C@@H]1c1cccnc1	ZINC000275403278	330044898	/nfs/dbraw/zinc/04/48/98/330044898.db2.gz	NQMNPZNJBOSUKJ-PKOBYXMFSA-N	-1	3	366.421	2.250	20	30		FEEDHM
CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CC[C@@H]1C	ZINC000804854312	674303675	/nfs/dbraw/zinc/30/36/75/674303675.db2.gz	GFQBOAFUYYIRQV-CFVMTHIKSA-N	-1	3	363.483	2.199	20	30		FEEDHM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H]1C[C@@H]1c1cccc(F)c1	ZINC000156833011	545668128	/nfs/dbraw/zinc/66/81/28/545668128.db2.gz	IXYOROLRXFSVCQ-OCCSQVGLSA-N	-1	3	361.354	2.440	20	30		FEEDHM
C=CC[C@H](C)NS(=O)(=O)c1ccc([N-]S(=O)(=O)CCCC)cc1	ZINC000158927754	545906117	/nfs/dbraw/zinc/90/61/17/545906117.db2.gz	FAZGKNSMPLNBRK-ZDUSSCGKSA-N	-1	3	360.501	2.471	20	30		FEEDHM
COc1cc(Br)c(S(=O)(=O)[N-][C@@H](C)C#N)cc1Cl	ZINC000160640055	546059188	/nfs/dbraw/zinc/05/91/88/546059188.db2.gz	NUVGQJSAVCZMSO-LURJTMIESA-N	-1	3	353.625	2.301	20	30		FEEDHM
Cc1nc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)ccc1[N+](=O)[O-]	ZINC000175682242	546333709	/nfs/dbraw/zinc/33/37/09/546333709.db2.gz	ASNKKVVXICQEQH-UHFFFAOYSA-N	-1	3	355.354	2.046	20	30		FEEDHM
N#CCCCC[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1	ZINC000178332311	546777171	/nfs/dbraw/zinc/77/71/71/546777171.db2.gz	UOSNCGCWQKJBTJ-UHFFFAOYSA-N	-1	3	362.205	2.329	20	30		FEEDHM
C=C(C)CN(C)C(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1C(F)(F)F	ZINC000183046612	547592585	/nfs/dbraw/zinc/59/25/85/547592585.db2.gz	IGEJGXSKLHJOEJ-NSHDSACASA-N	-1	3	364.389	2.407	20	30		FEEDHM
Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N[C@H](C#N)C3CC3)cs2)c1	ZINC000183742917	547710851	/nfs/dbraw/zinc/71/08/51/547710851.db2.gz	JYWIUPJGDVWHRW-CQSZACIVSA-N	-1	3	370.434	2.370	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)[C@@H](O)Cc1ccccc1	ZINC000185327910	547970894	/nfs/dbraw/zinc/97/08/94/547970894.db2.gz	PUAMHYPVSPPNJU-WBMJQRKESA-N	-1	3	364.854	2.482	20	30		FEEDHM
CCOc1ncccc1C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl	ZINC000186245688	548106325	/nfs/dbraw/zinc/10/63/25/548106325.db2.gz	ZUEBGCPQERVMBW-UHFFFAOYSA-N	-1	3	351.815	2.484	20	30		FEEDHM
C=C[C@](C)(CC)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1	ZINC000189005412	548292884	/nfs/dbraw/zinc/29/28/84/548292884.db2.gz	ITPUCBRIGZDVCA-CYBMUJFWSA-N	-1	3	350.893	2.398	20	30		FEEDHM
N#Cc1cc(C(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)ccn1	ZINC000195113729	548579050	/nfs/dbraw/zinc/57/90/50/548579050.db2.gz	ZKBNDLLFJATXRQ-UHFFFAOYSA-N	-1	3	350.378	2.150	20	30		FEEDHM
COc1nnc(NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)[n-]1	ZINC000490613283	561436168	/nfs/dbraw/zinc/43/61/68/561436168.db2.gz	JFEKGVUEOUQYSQ-UHFFFAOYSA-N	-1	3	365.397	2.460	20	30		FEEDHM
COc1nc(NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)n[n-]1	ZINC000490613283	561436169	/nfs/dbraw/zinc/43/61/69/561436169.db2.gz	JFEKGVUEOUQYSQ-UHFFFAOYSA-N	-1	3	365.397	2.460	20	30		FEEDHM
COc1n[n-]c(NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)n1	ZINC000490613283	561436170	/nfs/dbraw/zinc/43/61/70/561436170.db2.gz	JFEKGVUEOUQYSQ-UHFFFAOYSA-N	-1	3	365.397	2.460	20	30		FEEDHM
COc1ccc(CC/N=C/c2c([O-])c(C)ncc2CO)c(OC)c1OC	ZINC000263908532	549953592	/nfs/dbraw/zinc/95/35/92/549953592.db2.gz	GSBLGDYCDBAFJY-KEBDBYFISA-N	-1	3	360.410	2.275	20	30		FEEDHM
CC(C)[C@@](C)(C#N)NC(=O)CN(Cc1ccccc1[O-])C[C@H]1CCCO1	ZINC000268090693	550037390	/nfs/dbraw/zinc/03/73/90/550037390.db2.gz	KOACMPKWKZSGME-YLJYHZDGSA-N	-1	3	359.470	2.428	20	30		FEEDHM
C=CCN(Cc1ccccc1F)C(=O)C[N-]S(=O)(=O)c1cccs1	ZINC000492194512	561449988	/nfs/dbraw/zinc/44/99/88/561449988.db2.gz	JVRKPYVEXBIKQR-UHFFFAOYSA-N	-1	3	368.455	2.380	20	30		FEEDHM
CC[C@@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)[C@@H](O)C(F)(F)F	ZINC000270805002	550308923	/nfs/dbraw/zinc/30/89/23/550308923.db2.gz	BEADRUMDXFULSB-TZMCWYRMSA-N	-1	3	359.348	2.026	20	30		FEEDHM
COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@](C)(C#N)C(C)(C)C)s1	ZINC000274373062	550535200	/nfs/dbraw/zinc/53/52/00/550535200.db2.gz	PAFBHEAXOOWJGD-CQSZACIVSA-N	-1	3	360.457	2.150	20	30		FEEDHM
COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@@](C)(C#N)C(C)(C)C)s1	ZINC000274373059	550535205	/nfs/dbraw/zinc/53/52/05/550535205.db2.gz	PAFBHEAXOOWJGD-AWEZNQCLSA-N	-1	3	360.457	2.150	20	30		FEEDHM
CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H](C)n3cnc(C#N)n3)c2)n1	ZINC000494668860	561473825	/nfs/dbraw/zinc/47/38/25/561473825.db2.gz	ZDKDJNIUVDMEMQ-NSHDSACASA-N	-1	3	363.381	2.074	20	30		FEEDHM
C=CCCN(C)C(=O)[C@H](CCSC)[N-]S(=O)(=O)c1ccccc1F	ZINC000276321280	550578260	/nfs/dbraw/zinc/57/82/60/550578260.db2.gz	YVAXSYJWIOONCY-AWEZNQCLSA-N	-1	3	374.503	2.260	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-][C@H]1CCO[C@H]1c1ccc(Cl)cc1	ZINC000277188207	550641482	/nfs/dbraw/zinc/64/14/82/550641482.db2.gz	OJKLOIHOQVTFTN-BBRMVZONSA-N	-1	3	363.826	2.415	20	30		FEEDHM
C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1	ZINC000278885827	550832463	/nfs/dbraw/zinc/83/24/63/550832463.db2.gz	WVTJEJHVIGXBBN-CZUORRHYSA-N	-1	3	368.455	2.377	20	30		FEEDHM
CCCCCCC[C@@]1(C)NC(=O)N([N-]C(=O)c2ccc([N+](=O)[O-])[nH]2)C1=O	ZINC000280678729	551020537	/nfs/dbraw/zinc/02/05/37/551020537.db2.gz	DMUGCKOCLSHFMH-MRXNPFEDSA-N	-1	3	365.390	2.239	20	30		FEEDHM
N#Cc1cccc(OCCN2CCC(C[N-]C(=O)C(F)(F)F)CC2)c1	ZINC000281226386	551075921	/nfs/dbraw/zinc/07/59/21/551075921.db2.gz	FAYLDPBNSSIQKU-UHFFFAOYSA-N	-1	3	355.360	2.328	20	30		FEEDHM
N#CC1CCC(CNC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)CC1	ZINC000281624734	551122042	/nfs/dbraw/zinc/12/20/42/551122042.db2.gz	CMRUXJKSBKCXFR-UHFFFAOYSA-N	-1	3	370.453	2.190	20	30		FEEDHM
N#Cc1cc(F)ccc1S(=O)(=O)[N-]C1CCN(c2nccs2)CC1	ZINC000281661974	551127405	/nfs/dbraw/zinc/12/74/05/551127405.db2.gz	XCBAPGLLLNNVSB-UHFFFAOYSA-N	-1	3	366.443	2.101	20	30		FEEDHM
CCN(CC)C(=O)c1ccc(C[N-]S(=O)(=O)c2ccc(C#N)o2)cc1	ZINC000286625033	551907676	/nfs/dbraw/zinc/90/76/76/551907676.db2.gz	MXDDBUJPRXOIFG-UHFFFAOYSA-N	-1	3	361.423	2.112	20	30		FEEDHM
C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C#N)o2)CCN1Cc1ccccc1	ZINC000287660010	552031242	/nfs/dbraw/zinc/03/12/42/552031242.db2.gz	CSXAVRCGRYZTQT-ZBFHGGJFSA-N	-1	3	359.451	2.483	20	30		FEEDHM
N#Cc1ccccc1OCCN1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1	ZINC000289511570	552333387	/nfs/dbraw/zinc/33/33/87/552333387.db2.gz	QZOWPOGELCMGFV-CYBMUJFWSA-N	-1	3	355.360	2.328	20	30		FEEDHM
C=CCN(Cc1cccs1)C(=O)C[N-]S(=O)(=O)c1ccccc1F	ZINC000500453164	561573508	/nfs/dbraw/zinc/57/35/08/561573508.db2.gz	GVBQNLFVKJOXGN-UHFFFAOYSA-N	-1	3	368.455	2.380	20	30		FEEDHM
C=C[C@H](CO)[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F	ZINC000290291391	552455171	/nfs/dbraw/zinc/45/51/71/552455171.db2.gz	WOOZORAPJCLWBP-MRVPVSSYSA-N	-1	3	374.178	2.293	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@](CO)(C(C)C)C1	ZINC000294754559	552931757	/nfs/dbraw/zinc/93/17/57/552931757.db2.gz	MWLBQUJABGSZLF-HXUWFJFHSA-N	-1	3	359.470	2.465	20	30		FEEDHM
C[C@](O)(C[N-]S(=O)(=O)Cc1ccc(F)cc1C#N)c1ccsc1	ZINC000295259067	552977291	/nfs/dbraw/zinc/97/72/91/552977291.db2.gz	RFLNGARPEHZMHJ-HNNXBMFYSA-N	-1	3	354.428	2.086	20	30		FEEDHM
CC(C)(CC#N)CS(=O)(=O)[N-][C@H]1CCN(c2ccc(Cl)cc2)C1=O	ZINC000295412180	553002368	/nfs/dbraw/zinc/00/23/68/553002368.db2.gz	CBJZVYFKZGQFEY-AWEZNQCLSA-N	-1	3	369.874	2.305	20	30		FEEDHM
N#CC[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)C1	ZINC000295772972	553057220	/nfs/dbraw/zinc/05/72/20/553057220.db2.gz	PYAVWRSPIZDHLG-JQWIXIFHSA-N	-1	3	351.403	2.071	20	30		FEEDHM
C[N-]S(=O)(=O)c1cc(NC(=O)[C@@]2(C#N)CC23CCCC3)ccc1F	ZINC000296031393	553092390	/nfs/dbraw/zinc/09/23/90/553092390.db2.gz	MLZDOOCYVPDGPJ-INIZCTEOSA-N	-1	3	351.403	2.146	20	30		FEEDHM
Cc1nsc([N-]C(=O)Nc2ccc(OCC(=O)N(C)C)cc2)c1C#N	ZINC000297331056	553279361	/nfs/dbraw/zinc/27/93/61/553279361.db2.gz	DLUUABLSGSXSRV-UHFFFAOYSA-N	-1	3	359.411	2.434	20	30		FEEDHM
N#Cc1ccc(N2CCC[C@@H]([N-]S(=O)(=O)c3ccccc3F)C2=O)cc1	ZINC000503855459	561649062	/nfs/dbraw/zinc/64/90/62/561649062.db2.gz	DACCWGRAZMHSMQ-MRXNPFEDSA-N	-1	3	373.409	2.171	20	30		FEEDHM
CCC(CC)CS(=O)(=O)[N-][C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000503887451	561649369	/nfs/dbraw/zinc/64/93/69/561649369.db2.gz	VXTYFAYXNWZPAG-KRWDZBQOSA-N	-1	3	363.483	2.409	20	30		FEEDHM
Cc1ncc(CO)c(/C=N/c2cccc(C(=O)N3CCOCC3)c2C)c1[O-]	ZINC000299153281	553522430	/nfs/dbraw/zinc/52/24/30/553522430.db2.gz	GUTJHQUANUYBGI-SSDVNMTOSA-N	-1	3	369.421	2.119	20	30		FEEDHM
N#Cc1ccc(N2CCN(C(=O)c3cccc([O-])c3)CC2)c([N+](=O)[O-])c1	ZINC000301146117	553625810	/nfs/dbraw/zinc/62/58/10/553625810.db2.gz	LSWHKYGVURAMNI-UHFFFAOYSA-N	-1	3	352.350	2.134	20	30		FEEDHM
N#CCCCCNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1	ZINC000505546340	561673691	/nfs/dbraw/zinc/67/36/91/561673691.db2.gz	FCEXBCBFQPVHSS-UHFFFAOYSA-N	-1	3	364.402	2.378	20	30		FEEDHM
CC(C)n1nccc1[C@H]1OCC[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)s1	ZINC000328952356	553852431	/nfs/dbraw/zinc/85/24/31/553852431.db2.gz	LYLORHRCJCVTII-WFASDCNBSA-N	-1	3	366.468	2.206	20	30		FEEDHM
Cc1ccc2nc(NC(=O)CN3CCN4C(=O)[N-]C(=O)[C@H]4C3)sc2c1	ZINC000329436300	553946660	/nfs/dbraw/zinc/94/66/60/553946660.db2.gz	LWRGGNDKTUOLHX-LLVKDONJSA-N	-1	3	359.411	2.269	20	30		FEEDHM
C[C@@H](NC(=O)N(C)Cc1nc(=O)c2sccc2[n-]1)C1=CCN(C)CC1	ZINC000329707553	553992792	/nfs/dbraw/zinc/99/27/92/553992792.db2.gz	LRPHRGYBHPGCJD-LLVKDONJSA-N	-1	3	361.471	2.393	20	30		FEEDHM
O=C(NC[C@H]1CCCCS1)N1CCN(C(=O)c2cccc([O-])c2)CC1	ZINC000329766939	554002345	/nfs/dbraw/zinc/00/23/45/554002345.db2.gz	YTRVKCORUIMFSI-MRXNPFEDSA-N	-1	3	363.483	2.350	20	30		FEEDHM
N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@@H]1CCCC[C@H]1CO	ZINC000330670818	554154647	/nfs/dbraw/zinc/15/46/47/554154647.db2.gz	BYNFKJCIVOXLDS-GXFFZTMASA-N	-1	3	373.272	2.150	20	30		FEEDHM
CC1(C)CCCN(CCNC(=O)c2ccccc2[N-]S(C)(=O)=O)C1	ZINC000331281524	554241305	/nfs/dbraw/zinc/24/13/05/554241305.db2.gz	CNLBOVYZTHSUQJ-UHFFFAOYSA-N	-1	3	353.488	2.485	20	30		FEEDHM
N#Cc1c(Cl)cccc1S(=O)(=O)[N-]Cc1cn2c(n1)CCCC2	ZINC000332363913	554432373	/nfs/dbraw/zinc/43/23/73/554432373.db2.gz	RAPJUFVPUNQFIV-UHFFFAOYSA-N	-1	3	350.831	2.223	20	30		FEEDHM
Cn1ccnc1[C@@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C1CC1	ZINC000510450637	561834995	/nfs/dbraw/zinc/83/49/95/561834995.db2.gz	WQSMFGGPZOXQDO-AWEZNQCLSA-N	-1	3	350.831	2.375	20	30		FEEDHM
Cn1ccnc1[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)C1CC1	ZINC000510461046	561835290	/nfs/dbraw/zinc/83/52/90/561835290.db2.gz	OJXCIWSIEFAGTI-AWEZNQCLSA-N	-1	3	350.831	2.375	20	30		FEEDHM
Cn1ccnc1[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)C1CC1	ZINC000510372718	561832592	/nfs/dbraw/zinc/83/25/92/561832592.db2.gz	DUEVHSBQVWZOPO-CQSZACIVSA-N	-1	3	350.831	2.375	20	30		FEEDHM
Cc1nn(-c2ccc(F)cc2)cc1C[N-]S(=O)(=O)c1cccnc1C#N	ZINC000365426441	555572341	/nfs/dbraw/zinc/57/23/41/555572341.db2.gz	HRXPXWRMCVOMSZ-UHFFFAOYSA-N	-1	3	371.397	2.065	20	30		FEEDHM
Cc1ccc(F)c(N2CCC([N-]S(=O)(=O)c3cccnc3C#N)CC2)c1	ZINC000365463626	555582898	/nfs/dbraw/zinc/58/28/98/555582898.db2.gz	ITPNHQBGIBSVOR-UHFFFAOYSA-N	-1	3	374.441	2.348	20	30		FEEDHM
Cc1cn2c(n1)[C@@H](CNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)CCC2	ZINC000366708750	555914566	/nfs/dbraw/zinc/91/45/66/555914566.db2.gz	LTXYXUQGNNDCME-OAHLLOKOSA-N	-1	3	367.453	2.407	20	30		FEEDHM
Cc1ccc2[n-]cc(C(=O)N3CCN(c4ccc(C#N)cn4)CC3)c(=O)c2c1	ZINC000514683482	561973840	/nfs/dbraw/zinc/97/38/40/561973840.db2.gz	AXQFVYPWQXCYNI-UHFFFAOYSA-N	-1	3	373.416	2.066	20	30		FEEDHM
N#Cc1ncn(-c2ccccc2[N-]S(=O)(=O)CCCC(F)(F)F)n1	ZINC000368054566	556205223	/nfs/dbraw/zinc/20/52/23/556205223.db2.gz	LRRIHMKZPYKOJM-UHFFFAOYSA-N	-1	3	359.333	2.223	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)CC(=O)Nc1ccccc1	ZINC000515191313	561999961	/nfs/dbraw/zinc/99/99/61/561999961.db2.gz	BIBPCXAONYZHFO-UHFFFAOYSA-N	-1	3	366.421	2.305	20	30		FEEDHM
COc1ccc(C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)c(OC)n1	ZINC000515921914	562025490	/nfs/dbraw/zinc/02/54/90/562025490.db2.gz	IJGQRWDHSIRJFB-UHFFFAOYSA-N	-1	3	367.814	2.102	20	30		FEEDHM
CCOC(=O)CC1([N-]S(=O)(=O)c2ccc(C#N)cc2F)CCCC1	ZINC000515966535	562026594	/nfs/dbraw/zinc/02/65/94/562026594.db2.gz	IYUUEFXREBMJDN-UHFFFAOYSA-N	-1	3	354.403	2.242	20	30		FEEDHM
C=CCn1c(=O)[n-]nc1SCC(=O)c1ccc2c(c1)CN(C)C(=O)N2	ZINC000370596205	556917657	/nfs/dbraw/zinc/91/76/57/556917657.db2.gz	DVJXBRNELXNNBY-UHFFFAOYSA-N	-1	3	359.411	2.122	20	30		FEEDHM
COc1cc(C(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)cc(OC)c1[O-]	ZINC000372325865	557440045	/nfs/dbraw/zinc/44/00/45/557440045.db2.gz	MZHIOWNAPBCVCK-GOSISDBHSA-N	-1	3	368.389	2.495	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@H](C)O[C@@]2(CCCOC2)C1	ZINC000373005884	557608047	/nfs/dbraw/zinc/60/80/47/557608047.db2.gz	ZSXIPTQIGMFQNC-RBZFPXEDSA-N	-1	3	373.453	2.005	20	30		FEEDHM
C=CC[C@@H](CC)NC(=O)N1CCC[C@H](c2n[nH]cc2[N-]S(C)(=O)=O)C1	ZINC000374279232	557857114	/nfs/dbraw/zinc/85/71/14/557857114.db2.gz	JNLDYWUNVFFQRS-QWHCGFSZSA-N	-1	3	369.491	2.025	20	30		FEEDHM
C=CC[C@@H](CC)NC(=O)N1CCC[C@H](c2[nH]ncc2[N-]S(C)(=O)=O)C1	ZINC000374279232	557857115	/nfs/dbraw/zinc/85/71/15/557857115.db2.gz	JNLDYWUNVFFQRS-QWHCGFSZSA-N	-1	3	369.491	2.025	20	30		FEEDHM
CC(C)(CC#N)C[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2	ZINC000521838489	562184611	/nfs/dbraw/zinc/18/46/11/562184611.db2.gz	ADXCXMKHCSANIH-UHFFFAOYSA-N	-1	3	355.847	2.443	20	30		FEEDHM
CC(C)(C#N)CCS(=O)(=O)[N-][C@H]1CCN(c2cccc(Cl)c2)C1=O	ZINC000377864305	558437153	/nfs/dbraw/zinc/43/71/53/558437153.db2.gz	MAXRDBSPISDFIP-AWEZNQCLSA-N	-1	3	369.874	2.305	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]Cc2cc(F)cc3c2OCOC3)c(F)c1	ZINC000523573736	562215587	/nfs/dbraw/zinc/21/55/87/562215587.db2.gz	AHEXTCBQYYLTEC-UHFFFAOYSA-N	-1	3	366.345	2.181	20	30		FEEDHM
CC[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)c1c(C)nn(C)c1C	ZINC000525701259	562252785	/nfs/dbraw/zinc/25/27/85/562252785.db2.gz	JMZJCMCUXWXUMM-AWEZNQCLSA-N	-1	3	350.419	2.477	20	30		FEEDHM
C[C@]1(CO)CCC[C@H]1[N-]S(=O)(=O)c1cc(Br)ccc1C#N	ZINC000416405947	559310498	/nfs/dbraw/zinc/31/04/98/559310498.db2.gz	DBWFJUXTFOUBIA-ZIAGYGMSSA-N	-1	3	373.272	2.150	20	30		FEEDHM
C=CC[C@H](CO)[N-]S(=O)(=O)c1cc(C)c(Br)cc1F	ZINC000416453761	559314009	/nfs/dbraw/zinc/31/40/09/559314009.db2.gz	GPRZEWSLAOQPIX-SECBINFHSA-N	-1	3	352.225	2.112	20	30		FEEDHM
C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Br)ccc2C#N)CCO1	ZINC000416454929	559314173	/nfs/dbraw/zinc/31/41/73/559314173.db2.gz	TZDXQXLSPXMACS-CABZTGNLSA-N	-1	3	359.245	2.167	20	30		FEEDHM
C[C@@H](C#N)S(=O)(=O)[N-][C@@H](CO)c1ccc(Cl)cc1C(F)(F)F	ZINC000416533107	559320246	/nfs/dbraw/zinc/32/02/46/559320246.db2.gz	WUXNXGCPUNAHLK-CPCISQLKSA-N	-1	3	356.753	2.224	20	30		FEEDHM
N#Cc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CCC[C@@H](CO)C1	ZINC000416639803	559326926	/nfs/dbraw/zinc/32/69/26/559326926.db2.gz	ASGKMSMDYVITSB-ZWNOBZJWSA-N	-1	3	373.272	2.150	20	30		FEEDHM
N#C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1	ZINC000425191832	559690380	/nfs/dbraw/zinc/69/03/80/559690380.db2.gz	XWFLOSHLJFLHRX-DTWKUNHWSA-N	-1	3	374.216	2.328	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-][C@H]1CCCN(c2ccccc2F)C1	ZINC000428396508	559774589	/nfs/dbraw/zinc/77/45/89/559774589.db2.gz	HHQRACIBKXMDRI-ZDUSSCGKSA-N	-1	3	360.414	2.040	20	30		FEEDHM
Cc1ccccc1[C@H]([C@@H](C)[N-]S(=O)(=O)c1cccnc1C#N)N(C)C	ZINC000428398555	559774775	/nfs/dbraw/zinc/77/47/75/559774775.db2.gz	GAHFDQIQZPFKHD-KDOFPFPSSA-N	-1	3	358.467	2.231	20	30		FEEDHM
Cc1ccc(OC(F)F)c(C[N-]S(=O)(=O)c2cccnc2C#N)c1	ZINC000428406520	559774852	/nfs/dbraw/zinc/77/48/52/559774852.db2.gz	GNVNMZQNYJIBKI-UHFFFAOYSA-N	-1	3	353.350	2.342	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)c1cccnc1C#N)c1cnn(Cc2ccccc2)c1	ZINC000428418055	559775204	/nfs/dbraw/zinc/77/52/04/559775204.db2.gz	DRYMDEUVBSIDHZ-CQSZACIVSA-N	-1	3	367.434	2.238	20	30		FEEDHM
O=C(NCc1nnc(C(F)(F)F)[n-]1)NCc1c(F)cc(F)c(F)c1F	ZINC000430949464	559831311	/nfs/dbraw/zinc/83/13/11/559831311.db2.gz	NRBDCLYYUSAYEE-UHFFFAOYSA-N	-1	3	371.216	2.379	20	30		FEEDHM
O=C(NCc1n[n-]c(C(F)(F)F)n1)NCc1c(F)cc(F)c(F)c1F	ZINC000430949464	559831312	/nfs/dbraw/zinc/83/13/12/559831312.db2.gz	NRBDCLYYUSAYEE-UHFFFAOYSA-N	-1	3	371.216	2.379	20	30		FEEDHM
O=C(NCc1nc(C(F)(F)F)n[n-]1)NCc1c(F)cc(F)c(F)c1F	ZINC000430949464	559831313	/nfs/dbraw/zinc/83/13/13/559831313.db2.gz	NRBDCLYYUSAYEE-UHFFFAOYSA-N	-1	3	371.216	2.379	20	30		FEEDHM
CN(CCC#N)C(=O)Nc1ccc([N-]S(=O)(=O)Cc2ccccc2)cn1	ZINC000432789467	559864900	/nfs/dbraw/zinc/86/49/00/559864900.db2.gz	SGSZSYIGJPXZLF-UHFFFAOYSA-N	-1	3	373.438	2.401	20	30		FEEDHM
CCC[C@H](C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C(=O)OCC	ZINC000433466479	559882226	/nfs/dbraw/zinc/88/22/26/559882226.db2.gz	BLERHZMLYDKNEH-GFCCVEGCSA-N	-1	3	358.847	2.469	20	30		FEEDHM
Cc1nccc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)n1	ZINC000443027126	560066780	/nfs/dbraw/zinc/06/67/80/560066780.db2.gz	QQHDGILXRGHZKR-UHFFFAOYSA-N	-1	3	356.329	2.154	20	30		FEEDHM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]CCCOc1ccccc1	ZINC000443092249	560070336	/nfs/dbraw/zinc/07/03/36/560070336.db2.gz	JPDIZDGAABZQKU-UHFFFAOYSA-N	-1	3	361.379	2.214	20	30		FEEDHM
N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H](CO)c1ccc(F)cc1	ZINC000443273470	560077278	/nfs/dbraw/zinc/07/72/78/560077278.db2.gz	OJSLGGLCDHTFIO-CQSZACIVSA-N	-1	3	354.790	2.363	20	30		FEEDHM
C=CCCC[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1Br	ZINC000447926875	560173434	/nfs/dbraw/zinc/17/34/34/560173434.db2.gz	CWRQEIMFNNTXDD-UHFFFAOYSA-N	-1	3	362.245	2.480	20	30		FEEDHM
CCC[C@@H](C[N-]S(=O)(=O)c1cccc(Br)c1C#N)OC	ZINC000451638691	560318643	/nfs/dbraw/zinc/31/86/43/560318643.db2.gz	IEFBRXFYABRLML-JTQLQIEISA-N	-1	3	361.261	2.414	20	30		FEEDHM
C=C(C)CCNS(=O)(=O)c1ccc([N-]S(=O)(=O)CCCC)cc1	ZINC000451802500	560329628	/nfs/dbraw/zinc/32/96/28/560329628.db2.gz	MEVPDKZLPZOHHC-UHFFFAOYSA-N	-1	3	360.501	2.473	20	30		FEEDHM
COC(=O)[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cccc(Cl)c1C#N	ZINC000451836499	560331551	/nfs/dbraw/zinc/33/15/51/560331551.db2.gz	HVZXWOXUXFANBX-MFKMUULPSA-N	-1	3	356.831	2.222	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)CC(C)(C)CC#N)C(=O)N1c2ccccc2C[C@H]1C	ZINC000451992661	560343400	/nfs/dbraw/zinc/34/34/00/560343400.db2.gz	UIACONBETGFNLD-KGLIPLIRSA-N	-1	3	363.483	2.212	20	30		FEEDHM
C=C(CC)CNC(=O)[C@@H](C)[N-]S(=O)(=O)c1ccccc1C(F)(F)F	ZINC000456829785	560534044	/nfs/dbraw/zinc/53/40/44/560534044.db2.gz	PBBHLCHUOGGWPL-LLVKDONJSA-N	-1	3	364.389	2.455	20	30		FEEDHM
COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)[N-][C@@H](C#N)C(C)C	ZINC000463462863	560816047	/nfs/dbraw/zinc/81/60/47/560816047.db2.gz	QZCLSKIKVQHULR-NSHDSACASA-N	-1	3	364.345	2.318	20	30		FEEDHM
COc1ccccc1C(=O)C[N-]S(=O)(=O)Cc1cc(C#N)ccc1F	ZINC000464182143	560834833	/nfs/dbraw/zinc/83/48/33/560834833.db2.gz	CZJGJTWOGFQHMH-UHFFFAOYSA-N	-1	3	362.382	2.008	20	30		FEEDHM
C=CCCC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC	ZINC000469311063	560952196	/nfs/dbraw/zinc/95/21/96/560952196.db2.gz	GNCCVYBXYMDELI-LLVKDONJSA-N	-1	3	356.400	2.405	20	30		FEEDHM
CC1(C)OC[C@H]2C[C@]21[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000528491873	562332092	/nfs/dbraw/zinc/33/20/92/562332092.db2.gz	FSDNVFOZOYYIJL-YGRLFVJLSA-N	-1	3	360.357	2.423	20	30		FEEDHM
C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[N-]S(=O)(=O)c1cc(Br)ccc1C#N	ZINC000528544731	562335214	/nfs/dbraw/zinc/33/52/14/562335214.db2.gz	UCTWOSUNJJSYKR-RZGXBDKHSA-N	-1	3	373.272	2.411	20	30		FEEDHM
CC(C)CN1CCCC[C@@H]1C[N-]S(=O)(=O)c1ccc(C#N)cc1F	ZINC000533038952	562496481	/nfs/dbraw/zinc/49/64/81/562496481.db2.gz	WJGAJSLFPBMYKE-OAHLLOKOSA-N	-1	3	353.463	2.486	20	30		FEEDHM
Cc1ccc([O-])c(NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)n1	ZINC000541533054	562614616	/nfs/dbraw/zinc/61/46/16/562614616.db2.gz	VDYGPQPOSBKXKV-UHFFFAOYSA-N	-1	3	359.407	2.425	20	30		FEEDHM
N#CCCCCS(=O)(=O)[N-][C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)F	ZINC000603424830	568096379	/nfs/dbraw/zinc/09/63/79/568096379.db2.gz	QJIRMHBRVLNMIA-UONOGXRCSA-N	-1	3	364.389	2.134	20	30		FEEDHM
N#Cc1ccc(NC(=O)[C@H](c2ccccc2)n2cccn2)cc1-c1nnn[n-]1	ZINC000737718710	598914447	/nfs/dbraw/zinc/91/44/47/598914447.db2.gz	OWNWRULSJKZPSQ-KRWDZBQOSA-N	-1	3	370.376	2.163	20	30		FEEDHM
N#Cc1ccc(NC(=O)[C@H](c2ccccc2)n2cccn2)cc1-c1nn[n-]n1	ZINC000737718710	598914449	/nfs/dbraw/zinc/91/44/49/598914449.db2.gz	OWNWRULSJKZPSQ-KRWDZBQOSA-N	-1	3	370.376	2.163	20	30		FEEDHM
Cc1c(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cnn1-c1ccccc1	ZINC000737214759	598914951	/nfs/dbraw/zinc/91/49/51/598914951.db2.gz	QKYXALFOQWPYJV-UHFFFAOYSA-N	-1	3	370.376	2.485	20	30		FEEDHM
Cc1c(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cnn1-c1ccccc1	ZINC000737214759	598914953	/nfs/dbraw/zinc/91/49/53/598914953.db2.gz	QKYXALFOQWPYJV-UHFFFAOYSA-N	-1	3	370.376	2.485	20	30		FEEDHM
CCOc1ccccc1OCC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1	ZINC000736656031	598918409	/nfs/dbraw/zinc/91/84/09/598918409.db2.gz	ZUMWDQOXFDYTIC-UHFFFAOYSA-N	-1	3	364.365	2.155	20	30		FEEDHM
CCOc1ccccc1OCC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1	ZINC000736656031	598918410	/nfs/dbraw/zinc/91/84/10/598918410.db2.gz	ZUMWDQOXFDYTIC-UHFFFAOYSA-N	-1	3	364.365	2.155	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2cc(=O)[nH]c3ccccc32)cc1-c1nnn[n-]1	ZINC000737718394	598918756	/nfs/dbraw/zinc/91/87/56/598918756.db2.gz	ITPKAENEIHPPIY-UHFFFAOYSA-N	-1	3	357.333	2.244	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2cc(=O)[nH]c3ccccc32)cc1-c1nn[n-]n1	ZINC000737718394	598918757	/nfs/dbraw/zinc/91/87/57/598918757.db2.gz	ITPKAENEIHPPIY-UHFFFAOYSA-N	-1	3	357.333	2.244	20	30		FEEDHM
C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1	ZINC000736191531	598919490	/nfs/dbraw/zinc/91/94/90/598919490.db2.gz	ZVUDGYNYQSPQRY-NSHDSACASA-N	-1	3	359.349	2.016	20	30		FEEDHM
C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1	ZINC000736191531	598919491	/nfs/dbraw/zinc/91/94/91/598919491.db2.gz	ZVUDGYNYQSPQRY-NSHDSACASA-N	-1	3	359.349	2.016	20	30		FEEDHM
N#Cc1ccc(NC(=O)Cc2cnn(-c3ccccc3)c2)cc1-c1nnn[n-]1	ZINC000737716822	598923285	/nfs/dbraw/zinc/92/32/85/598923285.db2.gz	VMRCUQZJUGERLS-UHFFFAOYSA-N	-1	3	370.376	2.105	20	30		FEEDHM
N#Cc1ccc(NC(=O)Cc2cnn(-c3ccccc3)c2)cc1-c1nn[n-]n1	ZINC000737716822	598923286	/nfs/dbraw/zinc/92/32/86/598923286.db2.gz	VMRCUQZJUGERLS-UHFFFAOYSA-N	-1	3	370.376	2.105	20	30		FEEDHM
CC(C)COc1ncccc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1	ZINC000735845617	598924389	/nfs/dbraw/zinc/92/43/89/598924389.db2.gz	ZHQKJVYIBKHBKZ-UHFFFAOYSA-N	-1	3	363.381	2.420	20	30		FEEDHM
CC(C)COc1ncccc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1	ZINC000735845617	598924391	/nfs/dbraw/zinc/92/43/91/598924391.db2.gz	ZHQKJVYIBKHBKZ-UHFFFAOYSA-N	-1	3	363.381	2.420	20	30		FEEDHM
C[C@@](C#N)(NC(=O)COc1cccc(-c2nnn[n-]2)c1)C1CCCCC1	ZINC000735503001	598969776	/nfs/dbraw/zinc/96/97/76/598969776.db2.gz	DUVOIBHFDFVQSK-SFHVURJKSA-N	-1	3	354.414	2.224	20	30		FEEDHM
C[C@@](C#N)(NC(=O)COc1cccc(-c2nn[n-]n2)c1)C1CCCCC1	ZINC000735503001	598969778	/nfs/dbraw/zinc/96/97/78/598969778.db2.gz	DUVOIBHFDFVQSK-SFHVURJKSA-N	-1	3	354.414	2.224	20	30		FEEDHM
Cc1ccc(S(=O)(=O)CC(C)N=Nc2ccc(-c3nnn[n-]3)cc2)cc1	ZINC000736041190	598977302	/nfs/dbraw/zinc/97/73/02/598977302.db2.gz	UIDBYKPGOAKGHX-UHFFFAOYSA-N	-1	3	370.438	2.437	20	30		FEEDHM
Cc1ccc(S(=O)(=O)CC(C)N=Nc2ccc(-c3nn[n-]n3)cc2)cc1	ZINC000736041190	598977303	/nfs/dbraw/zinc/97/73/03/598977303.db2.gz	UIDBYKPGOAKGHX-UHFFFAOYSA-N	-1	3	370.438	2.437	20	30		FEEDHM
CN(C)c1cccc(CSc2nc(N)c(-c3nnn[n-]3)cc2C#N)c1	ZINC000736780383	599159046	/nfs/dbraw/zinc/15/90/46/599159046.db2.gz	QCAFQILORHQBEH-UHFFFAOYSA-N	-1	3	352.427	2.074	20	30		FEEDHM
CN(C)c1cccc(CSc2nc(N)c(-c3nn[n-]n3)cc2C#N)c1	ZINC000736780383	599159048	/nfs/dbraw/zinc/15/90/48/599159048.db2.gz	QCAFQILORHQBEH-UHFFFAOYSA-N	-1	3	352.427	2.074	20	30		FEEDHM
N#Cc1cc(NC(=O)c2ccccc2-n2cccn2)ccc1-c1nnn[n-]1	ZINC000737708251	599197925	/nfs/dbraw/zinc/19/79/25/599197925.db2.gz	DPCMINHLVLXSJZ-UHFFFAOYSA-N	-1	3	356.349	2.176	20	30		FEEDHM
N#Cc1cc(NC(=O)c2ccccc2-n2cccn2)ccc1-c1nn[n-]n1	ZINC000737708251	599197927	/nfs/dbraw/zinc/19/79/27/599197927.db2.gz	DPCMINHLVLXSJZ-UHFFFAOYSA-N	-1	3	356.349	2.176	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2ccc3c(c2)CCCC(=O)N3)cc1-c1nnn[n-]1	ZINC000737719376	599200283	/nfs/dbraw/zinc/20/02/83/599200283.db2.gz	PQBLDNNTFRWTPE-UHFFFAOYSA-N	-1	3	373.376	2.265	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2ccc3c(c2)CCCC(=O)N3)cc1-c1nn[n-]n1	ZINC000737719376	599200285	/nfs/dbraw/zinc/20/02/85/599200285.db2.gz	PQBLDNNTFRWTPE-UHFFFAOYSA-N	-1	3	373.376	2.265	20	30		FEEDHM
N#Cc1ccccc1NC(=S)NCc1cc(-c2nnn[n-]2)ccc1F	ZINC000822842708	599229101	/nfs/dbraw/zinc/22/91/01/599229101.db2.gz	UTPAKQFRULPJAT-UHFFFAOYSA-N	-1	3	353.386	2.364	20	30		FEEDHM
N#Cc1ccccc1NC(=S)NCc1cc(-c2nn[n-]n2)ccc1F	ZINC000822842708	599229103	/nfs/dbraw/zinc/22/91/03/599229103.db2.gz	UTPAKQFRULPJAT-UHFFFAOYSA-N	-1	3	353.386	2.364	20	30		FEEDHM
Cc1c(C#N)cccc1NC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1	ZINC000822016308	607288069	/nfs/dbraw/zinc/28/80/69/607288069.db2.gz	XDAKBSZMOSDBGN-UHFFFAOYSA-N	-1	3	363.381	2.247	20	30		FEEDHM
C#C[C@@H](NC(=O)CNC(=O)c1ccc([O-])cc1)c1ccc(Cl)cc1F	ZINC000807689712	674424242	/nfs/dbraw/zinc/42/42/42/674424242.db2.gz	VYSQFGBKJWJULH-MRXNPFEDSA-N	-1	3	360.772	2.405	20	30		FEEDHM
N#Cc1ccc(N2CCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)c(F)c1	ZINC000737718227	598235274	/nfs/dbraw/zinc/23/52/74/598235274.db2.gz	MOIPBHHABCGXNS-UHFFFAOYSA-N	-1	3	363.400	2.200	20	30		FEEDHM
N#Cc1ccc(CCC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1	ZINC000737711836	598303971	/nfs/dbraw/zinc/30/39/71/598303971.db2.gz	LPKBVXNEDNKOLT-UHFFFAOYSA-N	-1	3	350.357	2.126	20	30		FEEDHM
N#Cc1ccc(CCC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1	ZINC000737711836	598303972	/nfs/dbraw/zinc/30/39/72/598303972.db2.gz	LPKBVXNEDNKOLT-UHFFFAOYSA-N	-1	3	350.357	2.126	20	30		FEEDHM
CC[C@H](C#N)NC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1	ZINC000736309836	598331811	/nfs/dbraw/zinc/33/18/11/598331811.db2.gz	SJCNONMDIDWGFV-OAHLLOKOSA-N	-1	3	362.393	2.478	20	30		FEEDHM
CC[C@H](C#N)NC(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1	ZINC000736309836	598331812	/nfs/dbraw/zinc/33/18/12/598331812.db2.gz	SJCNONMDIDWGFV-OAHLLOKOSA-N	-1	3	362.393	2.478	20	30		FEEDHM
C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(-c2nnn[n-]2)cn1	ZINC000735418903	598446769	/nfs/dbraw/zinc/44/67/69/598446769.db2.gz	LIDPXSXBZXATFU-UHFFFAOYSA-N	-1	3	350.382	2.099	20	30		FEEDHM
C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(-c2nn[n-]n2)cn1	ZINC000735418903	598446770	/nfs/dbraw/zinc/44/67/70/598446770.db2.gz	LIDPXSXBZXATFU-UHFFFAOYSA-N	-1	3	350.382	2.099	20	30		FEEDHM
CC(C)(C)n1cc(C#N)cc1NC(=O)COc1cccc(-c2nnn[n-]2)c1	ZINC000735662816	598489295	/nfs/dbraw/zinc/48/92/95/598489295.db2.gz	YPPQDTRCJCAMOT-UHFFFAOYSA-N	-1	3	365.397	2.312	20	30		FEEDHM
CC(C)(C)n1cc(C#N)cc1NC(=O)COc1cccc(-c2nn[n-]n2)c1	ZINC000735662816	598489297	/nfs/dbraw/zinc/48/92/97/598489297.db2.gz	YPPQDTRCJCAMOT-UHFFFAOYSA-N	-1	3	365.397	2.312	20	30		FEEDHM
C#CCOc1ccc(NC(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)cc1	ZINC000735381246	598494494	/nfs/dbraw/zinc/49/44/94/598494494.db2.gz	RSSISVBMWPFPRA-CYBMUJFWSA-N	-1	3	363.377	2.285	20	30		FEEDHM
Cc1ccccc1-n1cc(C=N[N-]S(=O)(=O)Cc2ccccc2)nn1	ZINC000807966561	674436346	/nfs/dbraw/zinc/43/63/46/674436346.db2.gz	OABMJXPZLJRNSB-UHFFFAOYSA-N	-1	3	355.423	2.029	20	30		FEEDHM
COC(=O)c1ccc(C=CC(=O)c2c(C)n3c(c2-c2nnn[n-]2)CCC3)o1	ZINC000736951773	598638967	/nfs/dbraw/zinc/63/89/67/598638967.db2.gz	SGYQSWGUQBGHAO-ALCCZGGFSA-N	-1	3	367.365	2.199	20	30		FEEDHM
COC(=O)c1ccc(C=CC(=O)c2c(C)n3c(c2-c2nn[n-]n2)CCC3)o1	ZINC000736951773	598638968	/nfs/dbraw/zinc/63/89/68/598638968.db2.gz	SGYQSWGUQBGHAO-ALCCZGGFSA-N	-1	3	367.365	2.199	20	30		FEEDHM
COc1ccc(C#N)cc1NC(=O)CSc1ccc(-c2nnn[n-]2)cc1	ZINC000737065054	598657636	/nfs/dbraw/zinc/65/76/36/598657636.db2.gz	GRKXMYHITIVEJR-UHFFFAOYSA-N	-1	3	366.406	2.478	20	30		FEEDHM
COc1ccc(C#N)cc1NC(=O)CSc1ccc(-c2nn[n-]n2)cc1	ZINC000737065054	598657638	/nfs/dbraw/zinc/65/76/38/598657638.db2.gz	GRKXMYHITIVEJR-UHFFFAOYSA-N	-1	3	366.406	2.478	20	30		FEEDHM
N#CCCCCNC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1	ZINC000737687839	598665762	/nfs/dbraw/zinc/66/57/62/598665762.db2.gz	MXGOXJOQYOWCAO-UHFFFAOYSA-N	-1	3	363.381	2.478	20	30		FEEDHM
N#CCCCCNC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1	ZINC000737687839	598665764	/nfs/dbraw/zinc/66/57/64/598665764.db2.gz	MXGOXJOQYOWCAO-UHFFFAOYSA-N	-1	3	363.381	2.478	20	30		FEEDHM
C#CCCS(=O)(=O)[N-][C@H](Cc1ccccc1)C(=O)Nc1ccccc1	ZINC000808291070	674450423	/nfs/dbraw/zinc/45/04/23/674450423.db2.gz	DNTRZLTWPLNVIW-GOSISDBHSA-N	-1	3	356.447	2.179	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccnc(C2CC2)n1	ZINC000735420762	598753259	/nfs/dbraw/zinc/75/32/59/598753259.db2.gz	STMLIWFTNWBOCQ-UHFFFAOYSA-N	-1	3	361.409	2.363	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccnc(C2CC2)n1	ZINC000735420762	598753261	/nfs/dbraw/zinc/75/32/61/598753261.db2.gz	STMLIWFTNWBOCQ-UHFFFAOYSA-N	-1	3	361.409	2.363	20	30		FEEDHM
C=CCN(CC1CCCCC1)C(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1	ZINC000735416519	598761346	/nfs/dbraw/zinc/76/13/46/598761346.db2.gz	MLAXRQOSSQUEPU-UHFFFAOYSA-N	-1	3	368.441	2.400	20	30		FEEDHM
C=CCN(CC1CCCCC1)C(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1	ZINC000735416519	598761348	/nfs/dbraw/zinc/76/13/48/598761348.db2.gz	MLAXRQOSSQUEPU-UHFFFAOYSA-N	-1	3	368.441	2.400	20	30		FEEDHM
N#Cc1ccc(NCC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)nc1	ZINC000557691971	674461266	/nfs/dbraw/zinc/46/12/66/674461266.db2.gz	HEOSOACHIPNCTK-UHFFFAOYSA-N	-1	3	371.249	2.650	20	30		FEEDHM
CC[C@H](Sc1nc(N)c(-c2nnn[n-]2)cc1C#N)C(=O)c1ccccc1	ZINC000736393358	599518464	/nfs/dbraw/zinc/51/84/64/599518464.db2.gz	XPIZLYQALCALSY-ZDUSSCGKSA-N	-1	3	365.422	2.469	20	30		FEEDHM
CC[C@H](Sc1nc(N)c(-c2nn[n-]n2)cc1C#N)C(=O)c1ccccc1	ZINC000736393358	599518466	/nfs/dbraw/zinc/51/84/66/599518466.db2.gz	XPIZLYQALCALSY-ZDUSSCGKSA-N	-1	3	365.422	2.469	20	30		FEEDHM
N#CC1(NC(=O)c2cccc(COc3cccc(-c4nnn[n-]4)c3)c2)CC1	ZINC000737678082	599569886	/nfs/dbraw/zinc/56/98/86/599569886.db2.gz	GPIKJYOFABJSNT-UHFFFAOYSA-N	-1	3	360.377	2.232	20	30		FEEDHM
N#CC1(NC(=O)c2cccc(COc3cccc(-c4nn[n-]n4)c3)c2)CC1	ZINC000737678082	599569887	/nfs/dbraw/zinc/56/98/87/599569887.db2.gz	GPIKJYOFABJSNT-UHFFFAOYSA-N	-1	3	360.377	2.232	20	30		FEEDHM
N#C[C@H](c1ccccc1)N1CCN(Cc2ccc(-c3nnn[n-]3)s2)CC1	ZINC000822801173	607388556	/nfs/dbraw/zinc/38/85/56/607388556.db2.gz	FYGFYNZMYXOECM-MRXNPFEDSA-N	-1	3	365.466	2.311	20	30		FEEDHM
N#C[C@H](c1ccccc1)N1CCN(Cc2ccc(-c3nn[n-]n3)s2)CC1	ZINC000822801173	607388558	/nfs/dbraw/zinc/38/85/58/607388558.db2.gz	FYGFYNZMYXOECM-MRXNPFEDSA-N	-1	3	365.466	2.311	20	30		FEEDHM
Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-c3nn[n-]n3)cc2C)c1	ZINC000826299201	607400613	/nfs/dbraw/zinc/40/06/13/607400613.db2.gz	VLSPCOOVVTXWPO-MRXNPFEDSA-N	-1	3	360.377	2.445	20	30		FEEDHM
N#CCC[C@H](NC(=O)COc1ccc(-c2nn[n-]n2)cc1)c1ccccc1	ZINC000826381296	607429599	/nfs/dbraw/zinc/42/95/99/607429599.db2.gz	GDEKPJBRPPWUBZ-KRWDZBQOSA-N	-1	3	362.393	2.407	20	30		FEEDHM
CCN1C(=O)C(=NN=Cc2ccc(-c3nnn[n-]3)cc2F)c2ccccc21	ZINC000821242589	607463441	/nfs/dbraw/zinc/46/34/41/607463441.db2.gz	VJWIVDRUFKVRNY-UHFFFAOYSA-N	-1	3	363.356	2.196	20	30		FEEDHM
CCN1C(=O)C(=NN=Cc2ccc(-c3nn[n-]n3)cc2F)c2ccccc21	ZINC000821242589	607463442	/nfs/dbraw/zinc/46/34/42/607463442.db2.gz	VJWIVDRUFKVRNY-UHFFFAOYSA-N	-1	3	363.356	2.196	20	30		FEEDHM
Cc1sc2ncn(N=Cc3ccc(-c4nnn[n-]4)cc3F)c(=O)c2c1C	ZINC000822563781	607463653	/nfs/dbraw/zinc/46/36/53/607463653.db2.gz	OOVRUKPPUOXKHG-UHFFFAOYSA-N	-1	3	369.385	2.276	20	30		FEEDHM
Cc1sc2ncn(N=Cc3ccc(-c4nn[n-]n4)cc3F)c(=O)c2c1C	ZINC000822563781	607463654	/nfs/dbraw/zinc/46/36/54/607463654.db2.gz	OOVRUKPPUOXKHG-UHFFFAOYSA-N	-1	3	369.385	2.276	20	30		FEEDHM
N#CCn1c(=O)c2ccccc2nc1CN1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	ZINC000833068938	600986755	/nfs/dbraw/zinc/98/67/55/600986755.db2.gz	ICBAHQHXBHXIBI-JQFCIGGWSA-N	-1	3	366.421	2.138	20	30		FEEDHM
O=C(COc1ccc(-c2nn[n-]n2)cc1)OCC#Cc1cccc(Cl)c1	ZINC000823037136	607502894	/nfs/dbraw/zinc/50/28/94/607502894.db2.gz	QTAHKBAMHOJASP-UHFFFAOYSA-N	-1	3	368.780	2.494	20	30		FEEDHM
O=C(C#Cc1ccccc1)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1	ZINC000833091873	601776948	/nfs/dbraw/zinc/77/69/48/601776948.db2.gz	GYSVYHLACXCJAK-QFIPXVFZSA-N	-1	3	362.429	2.274	20	30		FEEDHM
C=CCN1CCC(NC(=O)C2(c3ccccc3)CCN(C(=O)[O-])CC2)CC1	ZINC000738492487	602675934	/nfs/dbraw/zinc/67/59/34/602675934.db2.gz	SDTXOYZMQKWAPQ-UHFFFAOYSA-N	-1	3	371.481	2.465	20	30		FEEDHM
CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCC[C@@H](NC(=O)[O-])C1	ZINC000739613137	603205439	/nfs/dbraw/zinc/20/54/39/603205439.db2.gz	NYRVFWPEPJXOHA-ZWKOTPCHSA-N	-1	3	372.469	2.275	20	30		FEEDHM
Cc1csc(=NCC(F)(F)F)n1N=Cc1ccc(-c2nnn[n-]2)cc1	ZINC000826320367	607634041	/nfs/dbraw/zinc/63/40/41/607634041.db2.gz	OCDRFDLPNQJKTG-UHFFFAOYSA-N	-1	3	367.360	2.383	20	30		FEEDHM
Cc1csc(=NCC(F)(F)F)n1N=Cc1ccc(-c2nn[n-]n2)cc1	ZINC000826320367	607634042	/nfs/dbraw/zinc/63/40/42/607634042.db2.gz	OCDRFDLPNQJKTG-UHFFFAOYSA-N	-1	3	367.360	2.383	20	30		FEEDHM
Cc1cc(-c2nnn[n-]2)cc(C)c1OS(=O)(=O)c1cccc(F)c1C#N	ZINC000826243577	607649073	/nfs/dbraw/zinc/64/90/73/607649073.db2.gz	NIFRPXHSXSYWDK-UHFFFAOYSA-N	-1	3	373.369	2.262	20	30		FEEDHM
Cc1cc(-c2nn[n-]n2)cc(C)c1OS(=O)(=O)c1cccc(F)c1C#N	ZINC000826243577	607649075	/nfs/dbraw/zinc/64/90/75/607649075.db2.gz	NIFRPXHSXSYWDK-UHFFFAOYSA-N	-1	3	373.369	2.262	20	30		FEEDHM
Cn1c2ccccc2nc1C(C#N)C(=O)C[C@H]1CSCCN1C(=O)[O-]	ZINC000830968783	605344819	/nfs/dbraw/zinc/34/48/19/605344819.db2.gz	JNZODAKONHFXCL-RYUDHWBXSA-N	-1	3	358.423	2.235	20	30		FEEDHM
CC(C)Oc1ccc(C#N)cc1NC(=O)c1cc(-c2nnn[n-]2)cn1C	ZINC000820155372	606234790	/nfs/dbraw/zinc/23/47/90/606234790.db2.gz	OZRZICDEZXQKHM-UHFFFAOYSA-N	-1	3	351.370	2.116	20	30		FEEDHM
CC(C)Oc1ccc(C#N)cc1NC(=O)c1cc(-c2nn[n-]n2)cn1C	ZINC000820155372	606234791	/nfs/dbraw/zinc/23/47/91/606234791.db2.gz	OZRZICDEZXQKHM-UHFFFAOYSA-N	-1	3	351.370	2.116	20	30		FEEDHM
N#CCc1ccc(N[C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)cc1	ZINC000822815606	606299196	/nfs/dbraw/zinc/29/91/96/606299196.db2.gz	UOMCQFQNBGKCEY-CQSZACIVSA-N	-1	3	365.422	2.212	20	30		FEEDHM
N#CCc1ccc(N[C@@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)cc1	ZINC000822815606	606299198	/nfs/dbraw/zinc/29/91/98/606299198.db2.gz	UOMCQFQNBGKCEY-CQSZACIVSA-N	-1	3	365.422	2.212	20	30		FEEDHM
N#Cc1ccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c(Cl)c1	ZINC000822833532	606378737	/nfs/dbraw/zinc/37/87/37/606378737.db2.gz	QYLXULHZUWPSMM-UHFFFAOYSA-N	-1	3	361.770	2.159	20	30		FEEDHM
N#Cc1ccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c(Cl)c1	ZINC000822833532	606378738	/nfs/dbraw/zinc/37/87/38/606378738.db2.gz	QYLXULHZUWPSMM-UHFFFAOYSA-N	-1	3	361.770	2.159	20	30		FEEDHM
N#CCCCOc1cccnc1NC(=O)c1cc(-c2nnn[n-]2)cs1	ZINC000822807108	606510055	/nfs/dbraw/zinc/51/00/55/606510055.db2.gz	YQRPVNIQYWXGNL-UHFFFAOYSA-N	-1	3	355.383	2.258	20	30		FEEDHM
N#CCCCOc1cccnc1NC(=O)c1cc(-c2nn[n-]n2)cs1	ZINC000822807108	606510057	/nfs/dbraw/zinc/51/00/57/606510057.db2.gz	YQRPVNIQYWXGNL-UHFFFAOYSA-N	-1	3	355.383	2.258	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1C[C@H](OC)C1(C)C	ZINC000819744071	606616778	/nfs/dbraw/zinc/61/67/78/606616778.db2.gz	VIOLAWCNEITKNH-HOTGVXAUSA-N	-1	3	370.457	2.378	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1C[C@H](OC)C1(C)C	ZINC000819744071	606616779	/nfs/dbraw/zinc/61/67/79/606616779.db2.gz	VIOLAWCNEITKNH-HOTGVXAUSA-N	-1	3	370.457	2.378	20	30		FEEDHM
Cc1c2ccccc2oc(=O)c1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1	ZINC000822021024	606681070	/nfs/dbraw/zinc/68/10/70/606681070.db2.gz	SIDRSVOZRGOSPY-UHFFFAOYSA-N	-1	3	372.344	2.406	20	30		FEEDHM
CC(C)C(=O)N1CCC(=NOCc2ccc(F)cc2-c2nnn[n-]2)CC1	ZINC000820012069	606767413	/nfs/dbraw/zinc/76/74/13/606767413.db2.gz	SSHXINWHHZADDF-UHFFFAOYSA-N	-1	3	360.393	2.157	20	30		FEEDHM
CC(C)C(=O)N1CCC(=NOCc2ccc(F)cc2-c2nn[n-]n2)CC1	ZINC000820012069	606767414	/nfs/dbraw/zinc/76/74/14/606767414.db2.gz	SSHXINWHHZADDF-UHFFFAOYSA-N	-1	3	360.393	2.157	20	30		FEEDHM
C=CCC(CC=C)C(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1	ZINC000819734198	606945899	/nfs/dbraw/zinc/94/58/99/606945899.db2.gz	JXTOFODNWPELJY-UHFFFAOYSA-N	-1	3	367.457	2.115	20	30		FEEDHM
C=CCC(CC=C)C(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1	ZINC000819734198	606945901	/nfs/dbraw/zinc/94/59/01/606945901.db2.gz	JXTOFODNWPELJY-UHFFFAOYSA-N	-1	3	367.457	2.115	20	30		FEEDHM
COc1cc(F)cc(NN=Cc2cnc3ccc(-c4nnn[n-]4)cn23)c1	ZINC000821719541	607036874	/nfs/dbraw/zinc/03/68/74/607036874.db2.gz	FCYOMDPIVQYGTF-UHFFFAOYSA-N	-1	3	352.333	2.108	20	30		FEEDHM
COc1cc(F)cc(NN=Cc2cnc3ccc(-c4nn[n-]n4)cn23)c1	ZINC000821719541	607036875	/nfs/dbraw/zinc/03/68/75/607036875.db2.gz	FCYOMDPIVQYGTF-UHFFFAOYSA-N	-1	3	352.333	2.108	20	30		FEEDHM
C[C@@H](Oc1ccc(C#N)cc1)C(=O)OCc1cc(F)ccc1-c1nnn[n-]1	ZINC000820534213	607074544	/nfs/dbraw/zinc/07/45/44/607074544.db2.gz	KCMXRBOIRZRLQF-LLVKDONJSA-N	-1	3	367.340	2.388	20	30		FEEDHM
C[C@@H](Oc1ccc(C#N)cc1)C(=O)OCc1cc(F)ccc1-c1nn[n-]n1	ZINC000820534213	607074545	/nfs/dbraw/zinc/07/45/45/607074545.db2.gz	KCMXRBOIRZRLQF-LLVKDONJSA-N	-1	3	367.340	2.388	20	30		FEEDHM
S=C(NN=Cc1c[nH]c2ccc(-c3nnn[n-]3)cc12)Nc1ccccn1	ZINC000823731657	607124608	/nfs/dbraw/zinc/12/46/08/607124608.db2.gz	AQVYBOPYLSHTLT-UHFFFAOYSA-N	-1	3	363.410	2.064	20	30		FEEDHM
S=C(NN=Cc1c[nH]c2ccc(-c3nn[n-]n3)cc12)Nc1ccccn1	ZINC000823731657	607124609	/nfs/dbraw/zinc/12/46/09/607124609.db2.gz	AQVYBOPYLSHTLT-UHFFFAOYSA-N	-1	3	363.410	2.064	20	30		FEEDHM
C[C@H](NC(=O)c1ncc(C#N)cc1Cl)c1ccc(-c2nnn[n-]2)cc1	ZINC000820402350	607232607	/nfs/dbraw/zinc/23/26/07/607232607.db2.gz	CUODDWPYAHLMEG-VIFPVBQESA-N	-1	3	353.773	2.278	20	30		FEEDHM
C[C@H](NC(=O)c1ncc(C#N)cc1Cl)c1ccc(-c2nn[n-]n2)cc1	ZINC000820402350	607232608	/nfs/dbraw/zinc/23/26/08/607232608.db2.gz	CUODDWPYAHLMEG-VIFPVBQESA-N	-1	3	353.773	2.278	20	30		FEEDHM
C[C@@H](Oc1ccc(C#N)cc1)C(=O)Oc1ccc(-c2nnn[n-]2)cc1F	ZINC000820535076	607249201	/nfs/dbraw/zinc/24/92/01/607249201.db2.gz	NLKSFINKLPXJSH-SNVBAGLBSA-N	-1	3	353.313	2.250	20	30		FEEDHM
C[C@@H](Oc1ccc(C#N)cc1)C(=O)Oc1ccc(-c2nn[n-]n2)cc1F	ZINC000820535076	607249202	/nfs/dbraw/zinc/24/92/02/607249202.db2.gz	NLKSFINKLPXJSH-SNVBAGLBSA-N	-1	3	353.313	2.250	20	30		FEEDHM
N#Cc1ccc(OC[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1	ZINC000826386209	607872757	/nfs/dbraw/zinc/87/27/57/607872757.db2.gz	UGVREGZGXFKWIF-ZDUSSCGKSA-N	-1	3	371.784	2.210	20	30		FEEDHM
C=CCOc1ccc(OC[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)cc1	ZINC000823932099	607876854	/nfs/dbraw/zinc/87/68/54/607876854.db2.gz	OLWONOMGWNICPO-OAHLLOKOSA-N	-1	3	368.393	2.250	20	30		FEEDHM
CN(N=Cc1ccccc1-c1nnn[n-]1)C(=S)NCc1ccccc1	ZINC000826003966	607882921	/nfs/dbraw/zinc/88/29/21/607882921.db2.gz	BZXQVUDVZBWXEU-UHFFFAOYSA-N	-1	3	351.439	2.207	20	30		FEEDHM
CN(N=Cc1ccccc1-c1nn[n-]n1)C(=S)NCc1ccccc1	ZINC000826003966	607882922	/nfs/dbraw/zinc/88/29/22/607882922.db2.gz	BZXQVUDVZBWXEU-UHFFFAOYSA-N	-1	3	351.439	2.207	20	30		FEEDHM
C#CCOCCC(=O)N(Cc1ccco1)c1ccccc1-c1nnn[n-]1	ZINC000823849980	607922998	/nfs/dbraw/zinc/92/29/98/607922998.db2.gz	FSTZFQQQESMACT-UHFFFAOYSA-N	-1	3	351.366	2.033	20	30		FEEDHM
C#CCOCCC(=O)N(Cc1ccco1)c1ccccc1-c1nn[n-]n1	ZINC000823849980	607922999	/nfs/dbraw/zinc/92/29/99/607922999.db2.gz	FSTZFQQQESMACT-UHFFFAOYSA-N	-1	3	351.366	2.033	20	30		FEEDHM
COc1ccc(CON=Cc2cccc(OC)c2OC)cc1-c1nnn[n-]1	ZINC000826206870	607972207	/nfs/dbraw/zinc/97/22/07/607972207.db2.gz	OUJPAHAMRXHDBH-UHFFFAOYSA-N	-1	3	369.381	2.443	20	30		FEEDHM
COc1ccc(CON=Cc2cccc(OC)c2OC)cc1-c1nn[n-]n1	ZINC000826206870	607972208	/nfs/dbraw/zinc/97/22/08/607972208.db2.gz	OUJPAHAMRXHDBH-UHFFFAOYSA-N	-1	3	369.381	2.443	20	30		FEEDHM
N#Cc1cccc([C@H]2CN(Cc3ccc(F)cc3-c3nnn[n-]3)CCO2)c1	ZINC000826386685	608069264	/nfs/dbraw/zinc/06/92/64/608069264.db2.gz	OMSMCZVOGLTHNB-GOSISDBHSA-N	-1	3	364.384	2.451	20	30		FEEDHM
N#Cc1cccc([C@H]2CN(Cc3ccc(F)cc3-c3nn[n-]n3)CCO2)c1	ZINC000826386685	608069265	/nfs/dbraw/zinc/06/92/65/608069265.db2.gz	OMSMCZVOGLTHNB-GOSISDBHSA-N	-1	3	364.384	2.451	20	30		FEEDHM
N#Cc1ccsc1C(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1	ZINC000826387644	608081276	/nfs/dbraw/zinc/08/12/76/608081276.db2.gz	HVUNKKOQHVOGHQ-CQSZACIVSA-N	-1	3	366.406	2.014	20	30		FEEDHM
N#Cc1ccsc1C(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1	ZINC000826387644	608081277	/nfs/dbraw/zinc/08/12/77/608081277.db2.gz	HVUNKKOQHVOGHQ-CQSZACIVSA-N	-1	3	366.406	2.014	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1CCC(=O)[C@@H](C)C1	ZINC000823909751	608120020	/nfs/dbraw/zinc/12/00/20/608120020.db2.gz	PKIJYBCCVSRZMR-XJKSGUPXSA-N	-1	3	353.426	2.387	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1CCC(=O)[C@@H](C)C1	ZINC000823909751	608120021	/nfs/dbraw/zinc/12/00/21/608120021.db2.gz	PKIJYBCCVSRZMR-XJKSGUPXSA-N	-1	3	353.426	2.387	20	30		FEEDHM
COC[C@H](C#N)OC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1	ZINC000826147551	608146937	/nfs/dbraw/zinc/14/69/37/608146937.db2.gz	BFABHYDVCIIELE-INIZCTEOSA-N	-1	3	364.365	2.306	20	30		FEEDHM
CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)c1ccc(C#N)cc1	ZINC000825793442	608174814	/nfs/dbraw/zinc/17/48/14/608174814.db2.gz	VMEMHTIQCHMOGJ-UHFFFAOYSA-N	-1	3	358.365	2.360	20	30		FEEDHM
CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)c1ccc(C#N)cc1	ZINC000825793442	608174815	/nfs/dbraw/zinc/17/48/15/608174815.db2.gz	VMEMHTIQCHMOGJ-UHFFFAOYSA-N	-1	3	358.365	2.360	20	30		FEEDHM
Cn1cc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c(-c2ccccc2)n1	ZINC000826358947	608260785	/nfs/dbraw/zinc/26/07/85/608260785.db2.gz	OSPQKYVLXMKJNN-UHFFFAOYSA-N	-1	3	370.376	2.391	20	30		FEEDHM
Cn1cc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c(-c2ccccc2)n1	ZINC000826358947	608260787	/nfs/dbraw/zinc/26/07/87/608260787.db2.gz	OSPQKYVLXMKJNN-UHFFFAOYSA-N	-1	3	370.376	2.391	20	30		FEEDHM
Cc1ccc(-c2nnn[n-]2)c(N2CCC(Oc3ccc(C#N)cc3)CC2)n1	ZINC000826274627	608283488	/nfs/dbraw/zinc/28/34/88/608283488.db2.gz	XSTXOLIEDWSJNV-UHFFFAOYSA-N	-1	3	361.409	2.490	20	30		FEEDHM
Cc1ccc(-c2nn[n-]n2)c(N2CCC(Oc3ccc(C#N)cc3)CC2)n1	ZINC000826274627	608283490	/nfs/dbraw/zinc/28/34/90/608283490.db2.gz	XSTXOLIEDWSJNV-UHFFFAOYSA-N	-1	3	361.409	2.490	20	30		FEEDHM
Cc1ccc(-c2nnn[n-]2)cc1OS(=O)(=O)Cc1cc(C#N)ccc1F	ZINC000826279339	608339472	/nfs/dbraw/zinc/33/94/72/608339472.db2.gz	NICHUPZLDRMVBC-UHFFFAOYSA-N	-1	3	373.369	2.095	20	30		FEEDHM
Cc1ccc(-c2nn[n-]n2)cc1OS(=O)(=O)Cc1cc(C#N)ccc1F	ZINC000826279339	608339474	/nfs/dbraw/zinc/33/94/74/608339474.db2.gz	NICHUPZLDRMVBC-UHFFFAOYSA-N	-1	3	373.369	2.095	20	30		FEEDHM
N#Cc1cccc(CN2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)c1F	ZINC000826386838	608419193	/nfs/dbraw/zinc/41/91/93/608419193.db2.gz	UVFZZXGOZDHXFN-QGZVFWFLSA-N	-1	3	364.384	2.451	20	30		FEEDHM
N#Cc1cccc(CN2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)c1F	ZINC000826386838	608419194	/nfs/dbraw/zinc/41/91/94/608419194.db2.gz	UVFZZXGOZDHXFN-QGZVFWFLSA-N	-1	3	364.384	2.451	20	30		FEEDHM
C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCc1cccc(C#N)c1F	ZINC000824738258	608437824	/nfs/dbraw/zinc/43/78/24/608437824.db2.gz	OAVYGRAIMBPSIF-NSHDSACASA-N	-1	3	367.340	2.388	20	30		FEEDHM
Cn1c(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)nc2ccccc21	ZINC000826355164	608539761	/nfs/dbraw/zinc/53/97/61/608539761.db2.gz	NAKBURFVOREXHJ-UHFFFAOYSA-N	-1	3	353.777	2.248	20	30		FEEDHM
Cn1c(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)nc2ccccc21	ZINC000826355164	608539762	/nfs/dbraw/zinc/53/97/62/608539762.db2.gz	NAKBURFVOREXHJ-UHFFFAOYSA-N	-1	3	353.777	2.248	20	30		FEEDHM
CC1(C#N)CCN(CC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1	ZINC000824779151	609142605	/nfs/dbraw/zinc/14/26/05/609142605.db2.gz	TYBARKWFMDLUGY-UHFFFAOYSA-N	-1	3	359.821	2.084	20	30		FEEDHM
CC1(C#N)CCN(CC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1	ZINC000824779151	609142606	/nfs/dbraw/zinc/14/26/06/609142606.db2.gz	TYBARKWFMDLUGY-UHFFFAOYSA-N	-1	3	359.821	2.084	20	30		FEEDHM
CC(=NNS(=O)(=O)c1ccc(C)cc1)c1ccc(-c2nnn[n-]2)c(F)c1	ZINC000823953527	609157051	/nfs/dbraw/zinc/15/70/51/609157051.db2.gz	DZAMWDUHPGGIOL-UHFFFAOYSA-N	-1	3	374.401	2.017	20	30		FEEDHM
CC(=NNS(=O)(=O)c1ccc(C)cc1)c1ccc(-c2nn[n-]n2)c(F)c1	ZINC000823953527	609157052	/nfs/dbraw/zinc/15/70/52/609157052.db2.gz	DZAMWDUHPGGIOL-UHFFFAOYSA-N	-1	3	374.401	2.017	20	30		FEEDHM
CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCC(C)(C#N)CC1	ZINC000824207463	609173444	/nfs/dbraw/zinc/17/34/44/609173444.db2.gz	WYSNIGGVVFMETH-MRXNPFEDSA-N	-1	3	368.441	2.422	20	30		FEEDHM
CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCC(C)(C#N)CC1	ZINC000824207463	609173446	/nfs/dbraw/zinc/17/34/46/609173446.db2.gz	WYSNIGGVVFMETH-MRXNPFEDSA-N	-1	3	368.441	2.422	20	30		FEEDHM
Cc1c(C(=O)C=Cc2cncnc2)cnn1-c1ccc(-c2nn[n-]n2)cc1	ZINC000826233929	609269978	/nfs/dbraw/zinc/26/99/78/609269978.db2.gz	ADAHHDSWXUSKRG-UQCOIBPSSA-N	-1	3	358.365	2.047	20	30		FEEDHM
CC(=O)N1Cc2ccccc2C(=O)C(=Cc2ccc(-c3nnn[n-]3)cc2)C1	ZINC000823974853	609405889	/nfs/dbraw/zinc/40/58/89/609405889.db2.gz	TVGYIBILQBSTBB-YVLHZVERSA-N	-1	3	359.389	2.495	20	30		FEEDHM
CC(=O)N1Cc2ccccc2C(=O)C(=Cc2ccc(-c3nn[n-]n3)cc2)C1	ZINC000823974853	609405890	/nfs/dbraw/zinc/40/58/90/609405890.db2.gz	TVGYIBILQBSTBB-YVLHZVERSA-N	-1	3	359.389	2.495	20	30		FEEDHM
C[C@@]1(C#N)CCCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1	ZINC000824779890	609600296	/nfs/dbraw/zinc/60/02/96/609600296.db2.gz	XVGCKJNTBSOBMI-KRWDZBQOSA-N	-1	3	364.369	2.453	20	30		FEEDHM
C[C@@]1(C#N)CCCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1	ZINC000824779890	609600299	/nfs/dbraw/zinc/60/02/99/609600299.db2.gz	XVGCKJNTBSOBMI-KRWDZBQOSA-N	-1	3	364.369	2.453	20	30		FEEDHM
CC(C)C[C@@H]([N-]S(=O)(=O)CCC(C)(C)C#N)C(=O)Nc1nccs1	ZINC000561998218	674714540	/nfs/dbraw/zinc/71/45/40/674714540.db2.gz	SEMFCJVNBHERAG-GFCCVEGCSA-N	-1	3	372.516	2.356	20	30		FEEDHM
O=C(N[C@H]1CCN([O-])C1=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	ZINC000816692927	675073287	/nfs/dbraw/zinc/07/32/87/675073287.db2.gz	YNHVMPZRMDFMEU-VIFPVBQESA-N	-1	3	356.222	2.444	20	30		FEEDHM
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N[C@H]1CCN([O-])C1=O	ZINC000816695541	675073900	/nfs/dbraw/zinc/07/39/00/675073900.db2.gz	FGDKALWWVNRIFS-NSHDSACASA-N	-1	3	351.815	2.492	20	30		FEEDHM
C[C@@H](Sc1nc2ccccc2s1)C(=O)N[C@H]1CCCN([O-])C1=O	ZINC000816759079	675078178	/nfs/dbraw/zinc/07/81/78/675078178.db2.gz	DPLFLMOBJQYMTC-KOLCDFICSA-N	-1	3	351.453	2.273	20	30		FEEDHM
O=C(N[C@H]1CCCN([O-])C1=O)c1cc2cc(Br)ccc2[nH]1	ZINC000816757092	675078200	/nfs/dbraw/zinc/07/82/00/675078200.db2.gz	LQLJIAICRSTNIY-NSHDSACASA-N	-1	3	352.188	2.040	20	30		FEEDHM
C[C@@H](Cc1ccc(Br)cc1)C(=O)N[C@@H]1CCCN([O-])C1=O	ZINC000816759296	675078337	/nfs/dbraw/zinc/07/83/37/675078337.db2.gz	JVGOPVIQVKGGNI-GXFFZTMASA-N	-1	3	355.232	2.124	20	30		FEEDHM
C#CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3C)cc1	ZINC000108250641	670826818	/nfs/dbraw/zinc/82/68/18/670826818.db2.gz	ZAHRCZRXDCVVGZ-UHFFFAOYSA-N	-1	3	356.403	2.018	20	30		FEEDHM
N#Cc1cccc(CC[N-]S(=O)(=O)c2cnccc2C(F)(F)F)c1	ZINC000577907136	671627706	/nfs/dbraw/zinc/62/77/06/671627706.db2.gz	MBACDFKQXNCANG-UHFFFAOYSA-N	-1	3	355.341	2.493	20	30		FEEDHM
CC(C)([N-]S(=O)(=O)c1ccc(C#N)cc1F)C(=O)Nc1ccccc1	ZINC000610085791	675952603	/nfs/dbraw/zinc/95/26/03/675952603.db2.gz	ONSVQLFRWOOIKM-UHFFFAOYSA-N	-1	3	361.398	2.393	20	30		FEEDHM
CC(C)C[N-]S(=O)(=O)c1cc(C(=O)NCC#N)c(Cl)cc1Cl	ZINC000126875284	672029836	/nfs/dbraw/zinc/02/98/36/672029836.db2.gz	INXSNDCDGLBYGK-UHFFFAOYSA-N	-1	3	364.254	2.181	20	30		FEEDHM
COC(=O)c1cc(S(=O)(=O)[N-]C[C@@H](C)C#N)c(Cl)cc1Cl	ZINC000175168457	672365702	/nfs/dbraw/zinc/36/57/02/672365702.db2.gz	AXZOOHUZYXYLQN-ZETCQYMHSA-N	-1	3	351.211	2.218	20	30		FEEDHM
C#CCSCC[N-]S(=O)(=O)c1cc(C)c(Br)s1	ZINC000176934790	672378091	/nfs/dbraw/zinc/37/80/91/672378091.db2.gz	IODPZFNAEDBDRF-UHFFFAOYSA-N	-1	3	354.316	2.464	20	30		FEEDHM
Cc1nc(C[N-]S(=O)(=O)c2ccc(F)cc2C#N)nc2ccccc12	ZINC000611016948	676010950	/nfs/dbraw/zinc/01/09/50/676010950.db2.gz	SYTBPHHKHJZDOS-UHFFFAOYSA-N	-1	3	356.382	2.428	20	30		FEEDHM
C#CCSCC[N-]S(=O)(=O)c1ccc(Br)cc1F	ZINC000184895201	672510763	/nfs/dbraw/zinc/51/07/63/672510763.db2.gz	ILGWXYCHMRPRGS-UHFFFAOYSA-N	-1	3	352.250	2.233	20	30		FEEDHM
N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CC[C@@](O)(C(F)(F)F)C1	ZINC000589922916	672547847	/nfs/dbraw/zinc/54/78/47/672547847.db2.gz	QSYQNOZOONSDNL-JQWIXIFHSA-N	-1	3	368.764	2.336	20	30		FEEDHM
C=CCOCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F	ZINC000611542035	676043397	/nfs/dbraw/zinc/04/33/97/676043397.db2.gz	DUDNYKYSZAQHLX-UHFFFAOYSA-N	-1	3	354.306	2.095	20	30		FEEDHM
O=C(NCc1nc(C(F)(F)F)n[n-]1)N1CCO[C@@H](c2ccsc2)C1	ZINC000330158934	673086503	/nfs/dbraw/zinc/08/65/03/673086503.db2.gz	QKWTYFXHUIGUGB-SECBINFHSA-N	-1	3	361.349	2.373	20	30		FEEDHM
CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)C[C@H](OC)[C@@H]1CCOC1	ZINC000594693985	673116912	/nfs/dbraw/zinc/11/69/12/673116912.db2.gz	BFQLMQZHTSQFDA-PBHICJAKSA-N	-1	3	367.471	2.173	20	30		FEEDHM
CCC[C@@H]1CCCC[C@H]1NC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000728262415	673196751	/nfs/dbraw/zinc/19/67/51/673196751.db2.gz	FWQKCCJHOUCIJF-UKRRQHHQSA-N	-1	3	363.483	2.200	20	30		FEEDHM
CC(C)NS(=O)(=O)c1ccc(N=NC(C)c2ccc([O-])c(F)c2)nc1	ZINC000728425754	673200973	/nfs/dbraw/zinc/20/09/73/673200973.db2.gz	MOPHGENFFDZVEW-UHFFFAOYSA-N	-1	3	366.418	2.449	20	30		FEEDHM
C=CC[C@@H](CO)C[N-]S(=O)(=O)c1cc(F)ccc1Br	ZINC000538119571	673422487	/nfs/dbraw/zinc/42/24/87/673422487.db2.gz	CDOKPAJJXBTDSI-SECBINFHSA-N	-1	3	352.225	2.051	20	30		FEEDHM
C=C(Cl)CNC(=O)[C@@H](CCCC)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000736239035	673516908	/nfs/dbraw/zinc/51/69/08/673516908.db2.gz	PTOBPQMOQQOKOP-CYBMUJFWSA-N	-1	3	369.874	2.153	20	30		FEEDHM
CCC(C)(C)COC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000744329920	673793468	/nfs/dbraw/zinc/79/34/68/673793468.db2.gz	KVGFTIHAMIZCAS-GFCCVEGCSA-N	-1	3	352.456	2.483	20	30		FEEDHM
CCCn1cccc1C=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1	ZINC000746491452	673881157	/nfs/dbraw/zinc/88/11/57/673881157.db2.gz	DTDJITHLWGPPTK-UHFFFAOYSA-N	-1	3	350.400	2.260	20	30		FEEDHM
O=C(N[C@@H]1CCN([O-])C1=O)C1(Cc2ccc(OC(F)(F)F)cc2)CC1	ZINC000820143317	675339088	/nfs/dbraw/zinc/33/90/88/675339088.db2.gz	GILDWZSWVDRTLF-GFCCVEGCSA-N	-1	3	358.316	2.014	20	30		FEEDHM
C[C@H](Cc1ccc(F)c(Br)c1)C(=O)N[C@@H]1CCCN([O-])C1=O	ZINC000820470899	675364399	/nfs/dbraw/zinc/36/43/99/675364399.db2.gz	IMGWQAUDRJPYTE-NOZJJQNGSA-N	-1	3	373.222	2.263	20	30		FEEDHM
N#CCCN(CC(F)(F)F)C(=O)CSc1ccc(-c2nnn[n-]2)cc1	ZINC000822806851	675508199	/nfs/dbraw/zinc/50/81/99/675508199.db2.gz	UKOSWQIKGFRISH-UHFFFAOYSA-N	-1	3	370.360	2.263	20	30		FEEDHM
N#CCCN(CC(F)(F)F)C(=O)CSc1ccc(-c2nn[n-]n2)cc1	ZINC000822806851	675508201	/nfs/dbraw/zinc/50/82/01/675508201.db2.gz	UKOSWQIKGFRISH-UHFFFAOYSA-N	-1	3	370.360	2.263	20	30		FEEDHM
C[C@H](Sc1cccc(Cl)c1-c1nnn[n-]1)C(=O)N(C)CCC#N	ZINC000824753453	675620222	/nfs/dbraw/zinc/62/02/22/675620222.db2.gz	DDXYPQIRRDISTC-VIFPVBQESA-N	-1	3	350.835	2.373	20	30		FEEDHM
C[C@H](Sc1cccc(Cl)c1-c1nn[n-]n1)C(=O)N(C)CCC#N	ZINC000824753453	675620225	/nfs/dbraw/zinc/62/02/25/675620225.db2.gz	DDXYPQIRRDISTC-VIFPVBQESA-N	-1	3	350.835	2.373	20	30		FEEDHM
CCOC(=O)[C@@H]([N-]S(=O)(=O)Cc1ccc(CC#N)cc1)C(C)(C)C	ZINC000827331699	675748841	/nfs/dbraw/zinc/74/88/41/675748841.db2.gz	IBGOMYLYHSSEBV-OAHLLOKOSA-N	-1	3	352.456	2.150	20	30		FEEDHM
CC#CC[C@H](CO)[N-]S(=O)(=O)c1c(Cl)cccc1Br	ZINC000645884384	677274131	/nfs/dbraw/zinc/27/41/31/677274131.db2.gz	DDJYXWINANJSDT-SECBINFHSA-N	-1	3	366.664	2.155	20	30		FEEDHM
CC#CC[C@@H](CO)[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F	ZINC000645882522	677274193	/nfs/dbraw/zinc/27/41/93/677274193.db2.gz	RQDQSYSWDNHMBK-JTQLQIEISA-N	-1	3	355.765	2.411	20	30		FEEDHM
C=C(Br)COC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1	ZINC000750218899	680106738	/nfs/dbraw/zinc/10/67/38/680106738.db2.gz	UXUKQSACGGXWCR-UHFFFAOYSA-N	-1	3	374.665	2.132	20	30		FEEDHM
C[C@H](CC(=O)NCC1=CCCCC1)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000833343421	680193475	/nfs/dbraw/zinc/19/34/75/680193475.db2.gz	MLAHPAJMPQSVID-CYBMUJFWSA-N	-1	3	361.467	2.120	20	30		FEEDHM
CCn1nccc1C=Nn1c(=S)[n-]nc1[C@H]1COc2ccccc2O1	ZINC000753691295	680309567	/nfs/dbraw/zinc/30/95/67/680309567.db2.gz	UGPPHCQGYASVFJ-CQSZACIVSA-N	-1	3	356.411	2.178	20	30		FEEDHM
COc1cc(C=NNC2=N[C@@H]3CCCC[C@H]3N2)cc(Br)c1[O-]	ZINC000753941360	680325657	/nfs/dbraw/zinc/32/56/57/680325657.db2.gz	YVDXEFYVCCPFFU-VXGBXAGGSA-N	-1	3	367.247	2.357	20	30		FEEDHM
CSC[C@H](C)COC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000835674428	680368107	/nfs/dbraw/zinc/36/81/07/680368107.db2.gz	GJRUJUKBHFLMOT-VXGBXAGGSA-N	-1	3	370.496	2.046	20	30		FEEDHM
C=CC(C)(C)CNC(=O)C[C@H](C)[N-]S(=O)(=O)c1cccnc1Cl	ZINC000836828374	680519494	/nfs/dbraw/zinc/51/94/94/680519494.db2.gz	KFTATVKISHNGFJ-NSHDSACASA-N	-1	3	359.879	2.120	20	30		FEEDHM
CC(C)(C)C[C@@H]1CCN(C(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)C1	ZINC000837163278	680562352	/nfs/dbraw/zinc/56/23/52/680562352.db2.gz	AAROFERCNNIHJE-ZDUSSCGKSA-N	-1	3	363.483	2.010	20	30		FEEDHM
CC(C)(CC#N)C[N-]S(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl	ZINC000841541994	680894676	/nfs/dbraw/zinc/89/46/76/680894676.db2.gz	CFVBETGOGAKJNY-UHFFFAOYSA-N	-1	3	370.905	2.023	20	30		FEEDHM
Cc1cc(C=Nn2c(=S)[n-]nc2[C@H]2COc3ccccc3O2)n(C)n1	ZINC000841608282	680903408	/nfs/dbraw/zinc/90/34/08/680903408.db2.gz	ANTKHJPAFNHXSB-CQSZACIVSA-N	-1	3	356.411	2.003	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CC[C@@H]3C[C@@H]3C2)ccc1F	ZINC000843741642	681015995	/nfs/dbraw/zinc/01/59/95/681015995.db2.gz	WNZBDNCHVACLQF-MRVWCRGKSA-N	-1	3	352.431	2.208	20	30		FEEDHM
C#C[C@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)[C@@H]1CCCO1	ZINC000773059405	681123482	/nfs/dbraw/zinc/12/34/82/681123482.db2.gz	WJKYWLOGBXTQOP-RYUDHWBXSA-N	-1	3	351.321	2.304	20	30		FEEDHM
COc1cc(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)nn1C	ZINC000773980440	681163367	/nfs/dbraw/zinc/16/33/67/681163367.db2.gz	SNXDARDQMJMTQW-SECBINFHSA-N	-1	3	350.737	2.182	20	30		FEEDHM
COc1cc(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)nn1C	ZINC000773980441	681163414	/nfs/dbraw/zinc/16/34/14/681163414.db2.gz	SNXDARDQMJMTQW-VIFPVBQESA-N	-1	3	350.737	2.182	20	30		FEEDHM
COc1ccc(-c2nc(C)c(C(=O)N[C@@H]3CCCN([O-])C3=O)s2)cc1	ZINC000848138688	681478634	/nfs/dbraw/zinc/47/86/34/681478634.db2.gz	SIXKJJJEBMZBRK-CYBMUJFWSA-N	-1	3	361.423	2.237	20	30		FEEDHM
C[C@H](CC(=O)N[C@H]1CCCN([O-])C1=O)c1ccc(Br)cc1	ZINC000848136810	681478642	/nfs/dbraw/zinc/47/86/42/681478642.db2.gz	RLLYOOQDNRERPZ-MFKMUULPSA-N	-1	3	355.232	2.439	20	30		FEEDHM
O=[N+]([O-])c1ccc(C=N[N-]S(=O)(=O)CCc2ccccc2)c(F)c1	ZINC000777887493	681540525	/nfs/dbraw/zinc/54/05/25/681540525.db2.gz	CJOMGFWXUVFKSV-UHFFFAOYSA-N	-1	3	351.359	2.230	20	30		FEEDHM
C=CCC1([N-]S(=O)(=O)c2cc(C(=O)OC)cc(C)c2F)CCOCC1	ZINC000849451695	681740901	/nfs/dbraw/zinc/74/09/01/681740901.db2.gz	IUMNPNTWTHCYOU-UHFFFAOYSA-N	-1	3	371.430	2.324	20	30		FEEDHM
CC(C)(C)[C@@H]([N-]S(C)(=O)=O)C(=O)OCc1ccc(Cl)cc1C#N	ZINC000780034268	681783744	/nfs/dbraw/zinc/78/37/44/681783744.db2.gz	ILWQRCVRZZBJJA-ZDUSSCGKSA-N	-1	3	358.847	2.219	20	30		FEEDHM
CC(C)(C#N)CS(=O)(=O)[N-]C1(C(=O)OCc2ccccc2)CCC1	ZINC000916264894	685523021	/nfs/dbraw/zinc/52/30/21/685523021.db2.gz	KKTXJSOSQBDXPN-UHFFFAOYSA-N	-1	3	350.440	2.122	20	30		FEEDHM
Cc1ccc(C2N=NC(=S)N2N=Cc2c([O-])c(C)ncc2CO)cc1	ZINC000916306736	685523426	/nfs/dbraw/zinc/52/34/26/685523426.db2.gz	XSEPTYBCLWILML-UHFFFAOYSA-N	-1	3	355.423	2.326	20	30		FEEDHM
CC(C)(C#N)CS(=O)(=O)[N-][C@@H]1CCN(c2ccc(Cl)cc2F)C1=O	ZINC000918151001	685537483	/nfs/dbraw/zinc/53/74/83/685537483.db2.gz	DTEWYWWWGPUYFG-GFCCVEGCSA-N	-1	3	373.837	2.054	20	30		FEEDHM
C[C@H](CC(=O)N(C)C1(C)CCCC1)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000787860372	682485231	/nfs/dbraw/zinc/48/52/31/682485231.db2.gz	WRFZEVBPDIQVGV-CYBMUJFWSA-N	-1	3	363.483	2.295	20	30		FEEDHM
C#CCSCC[N-]S(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C	ZINC000788634902	682545020	/nfs/dbraw/zinc/54/50/20/682545020.db2.gz	RMWFQTHBPUUAAM-UHFFFAOYSA-N	-1	3	367.901	2.141	20	30		FEEDHM
CC[C@H](C)CCNC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000855388488	682664749	/nfs/dbraw/zinc/66/47/49/682664749.db2.gz	SANUYRLWSFPQLQ-STQMWFEESA-N	-1	3	351.472	2.056	20	30		FEEDHM
C=CCOCCCNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1	ZINC000855775578	682709934	/nfs/dbraw/zinc/70/99/34/682709934.db2.gz	XDOLENGMYGIPRJ-UHFFFAOYSA-N	-1	3	372.462	2.225	20	30		FEEDHM
CC(C)CC1(NC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)CC1	ZINC000856190701	682752290	/nfs/dbraw/zinc/75/22/90/682752290.db2.gz	CLYYQXBIVDGLNP-ZDUSSCGKSA-N	-1	3	363.483	2.199	20	30		FEEDHM
CCOc1cc(C=NN2C(=O)[C@@H](C)N(C)C2=O)cc(Br)c1[O-]	ZINC000857217169	682865776	/nfs/dbraw/zinc/86/57/76/682865776.db2.gz	NFKYRFWZVXBKIY-MRVPVSSYSA-N	-1	3	370.203	2.170	20	30		FEEDHM
CC(C)C[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)O[C@H](C)C1CC1	ZINC000797965463	683295400	/nfs/dbraw/zinc/29/54/00/683295400.db2.gz	LIIHKFKHPYHCMT-IUODEOHRSA-N	-1	3	364.467	2.482	20	30		FEEDHM
CS(=O)(=O)[N-]c1ccc(C(=O)OCCCC2(C#N)CCOCC2)cc1	ZINC000800107721	683534292	/nfs/dbraw/zinc/53/42/92/683534292.db2.gz	RNPYFYHASMXTJF-UHFFFAOYSA-N	-1	3	366.439	2.315	20	30		FEEDHM
CCOc1cc(C=NNC(COC)COC)cc(Br)c1[O-]	ZINC000863196419	683683895	/nfs/dbraw/zinc/68/38/95/683683895.db2.gz	ITXSBSFELDMYJE-UHFFFAOYSA-N	-1	3	361.236	2.138	20	30		FEEDHM
C[C@]1(c2cccc(Br)c2)C[C@@H]1C(=O)N[C@@H]1CCCN([O-])C1=O	ZINC000868563938	684511702	/nfs/dbraw/zinc/51/17/02/684511702.db2.gz	YKBZQLSGNCZAOG-XJKCOSOUSA-N	-1	3	367.243	2.223	20	30		FEEDHM
O=C(N[C@H](CCc1ccccc1)C(F)(F)F)N[C@@H]1CCCN([O-])C1=O	ZINC000879193689	686764723	/nfs/dbraw/zinc/76/47/23/686764723.db2.gz	ZPEJCLFMMJRWEW-CHWSQXEVSA-N	-1	3	359.348	2.230	20	30		FEEDHM
O=C(N[C@@H](c1cccc(F)c1F)C(F)(F)F)N[C@H]1CCCN([O-])C1=O	ZINC000879272029	686784611	/nfs/dbraw/zinc/78/46/11/686784611.db2.gz	KLPVXWRMABIBPR-ONGXEEELSA-N	-1	3	367.274	2.248	20	30		FEEDHM
[O-]c1c(F)cc(Br)cc1C=NNC1=N[C@H]2CCCC[C@@H]2N1	ZINC000884443015	687872246	/nfs/dbraw/zinc/87/22/46/687872246.db2.gz	XOGYDOAZGNDTKM-RYUDHWBXSA-N	-1	3	355.211	2.488	20	30		FEEDHM
C=CC[C@@H]1CCN1C(=O)C1([N-]S(=O)(=O)c2c(C)noc2C)CCCC1	ZINC000890559710	688936886	/nfs/dbraw/zinc/93/68/86/688936886.db2.gz	OYJPHYBXGXGXSP-CQSZACIVSA-N	-1	3	367.471	2.060	20	30		FEEDHM
CS(=O)(=O)c1cc(C(=O)N([O-])Cc2ccc(F)cc2)cc([N+](=O)[O-])c1	ZINC000900096324	690471164	/nfs/dbraw/zinc/47/11/64/690471164.db2.gz	ZZUPORSTNFIGKN-UHFFFAOYSA-N	-1	3	368.342	2.169	20	30		FEEDHM
COCC[C@](C)(C#N)[N-]S(=O)(=O)c1cnc(-c2ccccc2)s1	ZINC000903629893	690944187	/nfs/dbraw/zinc/94/41/87/690944187.db2.gz	BYANTRZIPLKGPH-OAHLLOKOSA-N	-1	3	351.453	2.407	20	30		FEEDHM
C=C(Cl)C[C@@H](NC(=O)N[C@@H]1CCN(Cc2ccccc2)C1)C(=O)[O-]	ZINC000908756678	691724637	/nfs/dbraw/zinc/72/46/37/691724637.db2.gz	LBLYPPQLDGHNNK-HUUCEWRRSA-N	-1	3	351.834	2.156	20	30		FEEDHM
C=C(C)CN1CCC(NC(=O)N[C@H](C(=O)[O-])c2ccc(OC)cc2)CC1	ZINC000908945157	939360430	/nfs/dbraw/zinc/36/04/30/939360430.db2.gz	BJBFDFYGWXYRRA-KRWDZBQOSA-N	-1	3	361.442	2.161	20	30		FEEDHM
CC(C)[C@@](C)(C#N)NC(=O)CN1CCC(C(=O)Nc2ccccc2[O-])CC1	ZINC000015043271	539611007	/nfs/dbraw/zinc/61/10/07/539611007.db2.gz	DWRJWWODPIMVQK-HXUWFJFHSA-N	-1	3	372.469	2.097	20	30		FEEDHM
CCc1oc(C=N[N-]S(=O)(=O)Cc2ccccc2)cc1C(=O)OC	ZINC000800811480	674078004	/nfs/dbraw/zinc/07/80/04/674078004.db2.gz	WGDGPUYIOIJTHN-UHFFFAOYSA-N	-1	3	350.396	2.082	20	30		FEEDHM
C[C@@H](C#N)[N-]S(=O)(=O)c1cc(Br)ccc1Br	ZINC000040362416	540009982	/nfs/dbraw/zinc/00/99/82/540009982.db2.gz	SJZJCXBUGVGBTA-LURJTMIESA-N	-1	3	368.050	2.402	20	30		FEEDHM
Cn1nnc2c1nccc2C(=O)[N-]c1cc(C#N)cc([N+](=O)[O-])c1Cl	ZINC000800923878	674089332	/nfs/dbraw/zinc/08/93/32/674089332.db2.gz	XAYGVGSBFYWWPM-UHFFFAOYSA-N	-1	3	357.717	2.049	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1noc(C(C)(C)C)n1	ZINC000050821928	540415477	/nfs/dbraw/zinc/41/54/77/540415477.db2.gz	VMKWLTFTVPXFFV-UHFFFAOYSA-N	-1	3	358.398	2.220	20	30		FEEDHM
O=C(Nc1nnc(-c2ccccn2)[n-]1)c1ccc(=O)n(-c2ccccc2)n1	ZINC000053526729	540540950	/nfs/dbraw/zinc/54/09/50/540540950.db2.gz	PQZGVYLTYJEQSQ-UHFFFAOYSA-N	-1	3	359.349	2.049	20	30		FEEDHM
O=C(Nc1nc(-c2ccccn2)n[n-]1)c1ccc(=O)n(-c2ccccc2)n1	ZINC000053526729	540540953	/nfs/dbraw/zinc/54/09/53/540540953.db2.gz	PQZGVYLTYJEQSQ-UHFFFAOYSA-N	-1	3	359.349	2.049	20	30		FEEDHM
O=C(Nc1n[n-]c(-c2ccccn2)n1)c1ccc(=O)n(-c2ccccc2)n1	ZINC000053526729	540540956	/nfs/dbraw/zinc/54/09/56/540540956.db2.gz	PQZGVYLTYJEQSQ-UHFFFAOYSA-N	-1	3	359.349	2.049	20	30		FEEDHM
COc1cc(F)c(S(=O)(=O)[N-]Cc2ccc(C#N)cc2)cc1OC	ZINC000056078149	540700733	/nfs/dbraw/zinc/70/07/33/540700733.db2.gz	GLCOWIIQCXXONN-UHFFFAOYSA-N	-1	3	350.371	2.193	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@@H](C)c1ccc(C#N)cc1	ZINC000056752276	540742819	/nfs/dbraw/zinc/74/28/19/540742819.db2.gz	RYNHUYXJPADNRG-NWDGAFQWSA-N	-1	3	363.464	2.164	20	30		FEEDHM
C=CCn1c(=O)c2ccc(C(=O)NC[C@H](C)N(C)C3CC3)cc2[n-]c1=S	ZINC000069534135	541695097	/nfs/dbraw/zinc/69/50/97/541695097.db2.gz	YLYPJGBBMQFCOC-LBPRGKRZSA-N	-1	3	372.494	2.084	20	30		FEEDHM
COc1cccc(Br)c1CS(=O)(=O)[N-][C@@H](C#N)C(C)C	ZINC000872003353	684911380	/nfs/dbraw/zinc/91/13/80/684911380.db2.gz	NDIAILKBDMQTGA-LBPRGKRZSA-N	-1	3	361.261	2.425	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(-c2nc(-c3ccncc3)no2)ccc1F	ZINC000074457062	542086218	/nfs/dbraw/zinc/08/62/18/542086218.db2.gz	XNHBVCURQFPQMG-UHFFFAOYSA-N	-1	3	360.370	2.402	20	30		FEEDHM
N#C[C@H](c1ccccc1)N1CCN(Cc2nc3ccsc3c(=O)[n-]2)CC1	ZINC000078616018	542471065	/nfs/dbraw/zinc/47/10/65/542471065.db2.gz	NDCIZSBVKLRNBY-MRXNPFEDSA-N	-1	3	365.462	2.367	20	30		FEEDHM
C[C@H](C#N)CN(C)C(=O)Cc1csc(NC(=O)c2cccc([O-])c2)n1	ZINC000080065728	542562332	/nfs/dbraw/zinc/56/23/32/542562332.db2.gz	HGQBPNZXOQLOSM-LLVKDONJSA-N	-1	3	358.423	2.262	20	30		FEEDHM
C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)n1ccc(C=N[O-])nc1=O	ZINC000802728668	674193692	/nfs/dbraw/zinc/19/36/92/674193692.db2.gz	CVKSEMGAWWLTLY-JTQLQIEISA-N	-1	3	366.780	2.064	20	30		FEEDHM
C=CC[C@H](C)NC(=O)C(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1	ZINC000117078315	543623518	/nfs/dbraw/zinc/62/35/18/543623518.db2.gz	OVSPLSQRHBSHLW-LBPRGKRZSA-N	-1	3	354.410	2.019	20	30		FEEDHM
C=CC[C@@H](C)NC(=O)c1cc(C2CC2)nc2c1c(=O)[n-]c(=O)n2CCC	ZINC000116862151	543618195	/nfs/dbraw/zinc/61/81/95/543618195.db2.gz	PKLCGVNHLABHHR-LLVKDONJSA-N	-1	3	356.426	2.067	20	30		FEEDHM
C=CC[C@@H](C)NC(=O)c1c(C)oc2[n-]c(=O)n(-c3ccccc3)c(=O)c21	ZINC000116988016	543621048	/nfs/dbraw/zinc/62/10/48/543621048.db2.gz	UKQWFIDMUJKAER-LLVKDONJSA-N	-1	3	353.378	2.275	20	30		FEEDHM
COc1ccc(C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)c([O-])c1	ZINC000123509680	543766111	/nfs/dbraw/zinc/76/61/11/543766111.db2.gz	HAPQMEBCOVHELM-GOSISDBHSA-N	-1	3	351.406	2.423	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)c1ccccc1C#N)c1cn(-c2ccccc2)nn1	ZINC000126606092	543946011	/nfs/dbraw/zinc/94/60/11/543946011.db2.gz	ZPSYAYRFNPRUKM-CYBMUJFWSA-N	-1	3	353.407	2.178	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)c1ccccc1C#N)c1cn(-c2ccccc2)nn1	ZINC000126605846	543946094	/nfs/dbraw/zinc/94/60/94/543946094.db2.gz	ZPSYAYRFNPRUKM-ZDUSSCGKSA-N	-1	3	353.407	2.178	20	30		FEEDHM
Cc1cccc2nc(C[N-]S(=O)(=O)c3c(F)cc(C#N)cc3F)[nH]c21	ZINC000130049038	544137080	/nfs/dbraw/zinc/13/70/80/544137080.db2.gz	AKLMXDMBULDORO-UHFFFAOYSA-N	-1	3	362.361	2.500	20	30		FEEDHM
CN(C)[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1F)Cc1ccccc1	ZINC000151017080	544496607	/nfs/dbraw/zinc/49/66/07/544496607.db2.gz	PPOBNHHUCDGMPR-MRXNPFEDSA-N	-1	3	361.442	2.149	20	30		FEEDHM
Cn1cc(C(=O)C(C(=S)[N-][C@H]2C[C@H]3CC[C@@H]2C3)[n+]2cccc([O-])c2)cn1	ZINC000151926482	544596671	/nfs/dbraw/zinc/59/66/71/544596671.db2.gz	CSKGEFBZTJOQMO-ZENOOKHLSA-O	-1	3	371.486	2.130	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCO[C@@]3(CCSC3)C2)c(F)c1	ZINC000153008864	544722648	/nfs/dbraw/zinc/72/26/48/544722648.db2.gz	QXFPASWDXXZFPU-WFASDCNBSA-N	-1	3	356.444	2.030	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]Cc2cc(=O)[nH]c3ccccc23)c(F)c1	ZINC000155243282	545005136	/nfs/dbraw/zinc/00/51/36/545005136.db2.gz	XHWPGUYAUCQKMP-UHFFFAOYSA-N	-1	3	357.366	2.017	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(-n2cccn2)nc1	ZINC000105776139	325572990	/nfs/dbraw/zinc/57/29/90/325572990.db2.gz	CVWRARJSVIJAHZ-UHFFFAOYSA-N	-1	3	362.393	2.015	20	30		FEEDHM
N#Cc1cc(F)c(C(=O)[N-]c2nc(CN3CCOCC3)cs2)c(F)c1	ZINC000123255271	326425470	/nfs/dbraw/zinc/42/54/70/326425470.db2.gz	JRXJTNYXIUHZLP-UHFFFAOYSA-N	-1	3	364.377	2.377	20	30		FEEDHM
Cc1nc(CCNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)sc1C	ZINC000151445010	326682584	/nfs/dbraw/zinc/68/25/84/326682584.db2.gz	YPZNBWOVIZRZCD-UHFFFAOYSA-N	-1	3	358.467	2.228	20	30		FEEDHM
CC(C)C(=O)N1CCC([N-]S(=O)(=O)c2ccc(Cl)cc2C#N)CC1	ZINC000156382480	326829279	/nfs/dbraw/zinc/82/92/79/326829279.db2.gz	JROOPWPXCZTORQ-UHFFFAOYSA-N	-1	3	369.874	2.137	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CCOC2(CCCC2)C1	ZINC000159952538	326948537	/nfs/dbraw/zinc/94/85/37/326948537.db2.gz	ZOBMOHDZQNTBGG-HNNXBMFYSA-N	-1	3	357.454	2.404	20	30		FEEDHM
N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@H]1CCCN(c2ccccn2)C1	ZINC000166116205	327080546	/nfs/dbraw/zinc/08/05/46/327080546.db2.gz	TVWYSTHWCCIHSN-HNNXBMFYSA-N	-1	3	360.414	2.040	20	30		FEEDHM
COc1cc(F)c(S(=O)(=O)[N-]Cc2cc(C#N)ccc2F)cc1OC	ZINC000173740828	327280376	/nfs/dbraw/zinc/28/03/76/327280376.db2.gz	NRYNAQKLCGMZCV-UHFFFAOYSA-N	-1	3	368.361	2.332	20	30		FEEDHM
C[C@@H](NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(C#N)cc1	ZINC000174105263	327306603	/nfs/dbraw/zinc/30/66/03/327306603.db2.gz	KTGAHBJZICDQBE-CYBMUJFWSA-N	-1	3	374.422	2.096	20	30		FEEDHM
CC1(C)C[C@H]([N-]S(=O)(=O)c2cncc(C#N)c2)c2cc(N)ccc2O1	ZINC000262227259	328852948	/nfs/dbraw/zinc/85/29/48/328852948.db2.gz	NIQRYZUBYFUQAV-HNNXBMFYSA-N	-1	3	358.423	2.116	20	30		FEEDHM
C#CCCCS(=O)(=O)[N-][C@H](C(=O)OCc1ccccc1)C(C)(C)C	ZINC000805056474	674316022	/nfs/dbraw/zinc/31/60/22/674316022.db2.gz	YQWSPIVLCVHTDU-MRXNPFEDSA-N	-1	3	351.468	2.477	20	30		FEEDHM
CCN(CC)C(=O)CCC[N-]S(=O)(=O)c1ccc(Cl)cc1C#N	ZINC000156506098	545631490	/nfs/dbraw/zinc/63/14/90/545631490.db2.gz	PVCQKCDCHVZRTR-UHFFFAOYSA-N	-1	3	357.863	2.139	20	30		FEEDHM
COC(=O)[C@H](CS(=O)(=O)[N-]c1ccc(F)c(C#N)c1)c1ccccc1	ZINC000477520278	561147005	/nfs/dbraw/zinc/14/70/05/561147005.db2.gz	DWVIQJSZRZKZQH-OAHLLOKOSA-N	-1	3	362.382	2.396	20	30		FEEDHM
COc1cc(Br)c(S(=O)(=O)[N-]C2(C#N)CC2)cc1Cl	ZINC000160976231	546089843	/nfs/dbraw/zinc/08/98/43/546089843.db2.gz	UEBANCBDLSBUHD-UHFFFAOYSA-N	-1	3	365.636	2.446	20	30		FEEDHM
N#CC1(CS(=O)(=O)[N-][C@H]2CCCN(c3ccccc3Cl)C2=O)CC1	ZINC000165672066	546153143	/nfs/dbraw/zinc/15/31/43/546153143.db2.gz	CQQCKNVVUVSCIE-ZDUSSCGKSA-N	-1	3	367.858	2.059	20	30		FEEDHM
C=CC[C@H](C)NC(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1	ZINC000172079058	546236144	/nfs/dbraw/zinc/23/61/44/546236144.db2.gz	PUCGSVNQALUUAZ-LBPRGKRZSA-N	-1	3	357.501	2.165	20	30		FEEDHM
C=CCNC(=O)c1ccc(NC(=O)NCc2nnc(C(F)(F)F)[n-]2)cc1	ZINC000480308254	561206850	/nfs/dbraw/zinc/20/68/50/561206850.db2.gz	HITFGLQXUYPWKP-UHFFFAOYSA-N	-1	3	368.319	2.061	20	30		FEEDHM
C=CCNC(=O)c1ccc(NC(=O)NCc2n[n-]c(C(F)(F)F)n2)cc1	ZINC000480308254	561206851	/nfs/dbraw/zinc/20/68/51/561206851.db2.gz	HITFGLQXUYPWKP-UHFFFAOYSA-N	-1	3	368.319	2.061	20	30		FEEDHM
C=CCNC(=O)c1ccc(NC(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1	ZINC000480308254	561206852	/nfs/dbraw/zinc/20/68/52/561206852.db2.gz	HITFGLQXUYPWKP-UHFFFAOYSA-N	-1	3	368.319	2.061	20	30		FEEDHM
COCC[C@H]([N-]S(=O)(=O)Cc1ccc(C#N)cc1F)c1ccco1	ZINC000480714660	561215056	/nfs/dbraw/zinc/21/50/56/561215056.db2.gz	ZPFUUOSAWVJRJB-HNNXBMFYSA-N	-1	3	352.387	2.488	20	30		FEEDHM
N#CCCCCNC(=O)Cc1csc(NC(=O)c2cccc([O-])c2)n1	ZINC000177406322	546610780	/nfs/dbraw/zinc/61/07/80/546610780.db2.gz	WRKMDZOCQMIPFN-UHFFFAOYSA-N	-1	3	358.423	2.454	20	30		FEEDHM
N#Cc1cc(F)ccc1[N-]C(=O)c1nc2ncc(Br)cn2n1	ZINC000177562919	546645527	/nfs/dbraw/zinc/64/55/27/546645527.db2.gz	FKXKBRGORHNJNG-UHFFFAOYSA-N	-1	3	361.134	2.150	20	30		FEEDHM
C[N-]S(=O)(=O)c1ccc(CNC(=O)Nc2cccc(C#N)c2C)s1	ZINC000178574663	546813818	/nfs/dbraw/zinc/81/38/18/546813818.db2.gz	NNIWSLLYCNZYFY-UHFFFAOYSA-N	-1	3	364.452	2.158	20	30		FEEDHM
C=C(C)CN(C)C(=O)[C@@H](CCSC)[N-]S(=O)(=O)c1ccccc1F	ZINC000183042685	547591386	/nfs/dbraw/zinc/59/13/86/547591386.db2.gz	JQCAEZYXTJRCNS-CQSZACIVSA-N	-1	3	374.503	2.260	20	30		FEEDHM
Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)NC[C@H](C)C#N)cs2)c1	ZINC000183596934	547687327	/nfs/dbraw/zinc/68/73/27/547687327.db2.gz	TUPUYFWPFMWXLI-LLVKDONJSA-N	-1	3	358.423	2.228	20	30		FEEDHM
Cc1ncc(CO)c(/C=N/[C@@H]2CCN(c3ccccc3Cl)C2=O)c1[O-]	ZINC000264681530	549999567	/nfs/dbraw/zinc/99/95/67/549999567.db2.gz	WYZVFZJTRNRJMG-MNPVBQOISA-N	-1	3	359.813	2.466	20	30		FEEDHM
C=C(Cl)CNC(=O)c1cc(C2CC2)nc2c1c(=O)[n-]c(=O)n2CCC	ZINC000265482742	550009942	/nfs/dbraw/zinc/00/99/42/550009942.db2.gz	DJMPSMCCVGITNZ-UHFFFAOYSA-N	-1	3	362.817	2.267	20	30		FEEDHM
CC(C)(C)[C@@H]([N-]S(C)(=O)=O)C(=O)Nc1cccc(OCCCC#N)c1	ZINC000269255616	550172981	/nfs/dbraw/zinc/17/29/81/550172981.db2.gz	DDNWYSDLZAKGLF-HNNXBMFYSA-N	-1	3	367.471	2.272	20	30		FEEDHM
COC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2F)cc1	ZINC000493356099	561455656	/nfs/dbraw/zinc/45/56/56/561455656.db2.gz	DQVVYJUHACHFAA-UHFFFAOYSA-N	-1	3	364.354	2.050	20	30		FEEDHM
CC#CCC[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1	ZINC000493410426	561456008	/nfs/dbraw/zinc/45/60/08/561456008.db2.gz	KPTMXNKAFBYFQW-ZDUSSCGKSA-N	-1	3	357.859	2.447	20	30		FEEDHM
N#Cc1ccc(F)c(CS(=O)(=O)[N-]C2(C(=O)Nc3ccccc3)CC2)c1	ZINC000494543246	561471336	/nfs/dbraw/zinc/47/13/36/561471336.db2.gz	AXDDVOBSYLLIIX-UHFFFAOYSA-N	-1	3	373.409	2.288	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-]C1(c2ccc(F)cc2)CCOCC1	ZINC000277088083	550630744	/nfs/dbraw/zinc/63/07/44/550630744.db2.gz	VHZNLIGXYQQWHZ-UHFFFAOYSA-N	-1	3	361.398	2.077	20	30		FEEDHM
C=CC[C@H](CO)[N-]S(=O)(=O)c1cccc(Cl)c1Br	ZINC000277120433	550634328	/nfs/dbraw/zinc/63/43/28/550634328.db2.gz	WTKDDKBDGQRHOP-MRVPVSSYSA-N	-1	3	354.653	2.318	20	30		FEEDHM
COc1cc(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)ccc1[O-]	ZINC000277123096	550634568	/nfs/dbraw/zinc/63/45/68/550634568.db2.gz	OORXHLPVDCUSAA-MRXNPFEDSA-N	-1	3	365.389	2.198	20	30		FEEDHM
C=CCc1cc(CN[C@H](CC(=O)OC(C)(C)C)C(=O)[O-])cc(OC)c1O	ZINC000277248280	550647683	/nfs/dbraw/zinc/64/76/83/550647683.db2.gz	JSGRTSLYBRVRSF-CQSZACIVSA-N	-1	3	365.426	2.404	20	30		FEEDHM
COc1cc(F)c(S(=O)(=O)[N-]CC2CCC(C#N)CC2)cc1OC	ZINC000282097618	551180163	/nfs/dbraw/zinc/18/01/63/551180163.db2.gz	CDUVFMCLDLBWEZ-UHFFFAOYSA-N	-1	3	356.419	2.451	20	30		FEEDHM
CC[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)[C@@H](O)C(F)(F)F	ZINC000497932740	561511609	/nfs/dbraw/zinc/51/16/09/561511609.db2.gz	BQDORHZANOXDLL-GXSJLCMTSA-N	-1	3	356.753	2.192	20	30		FEEDHM
N#Cc1c(Br)cccc1S(=O)(=O)[N-]C[C@H]1CCCOC1	ZINC000286540866	551897736	/nfs/dbraw/zinc/89/77/36/551897736.db2.gz	GYWOZOYLOISPQW-SNVBAGLBSA-N	-1	3	359.245	2.026	20	30		FEEDHM
C[C@H]1C[C@@H](C[N-]S(=O)(=O)c2cccc(Br)c2C#N)CCO1	ZINC000287835659	552052798	/nfs/dbraw/zinc/05/27/98/552052798.db2.gz	NWRWEFKEDDXNQX-QWRGUYRKSA-N	-1	3	373.272	2.414	20	30		FEEDHM
C[C@@H](C[N-]S(=O)(=O)c1cccc(Br)c1C#N)C[C@H](C)O	ZINC000288052131	552081292	/nfs/dbraw/zinc/08/12/92/552081292.db2.gz	IPWAUZLOLVGKMO-ZJUUUORDSA-N	-1	3	361.261	2.006	20	30		FEEDHM
C[C@@H]([N-]C(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)C(F)(F)F	ZINC000288400632	552147028	/nfs/dbraw/zinc/14/70/28/552147028.db2.gz	MFKAVKVZGQUDAA-ZCFIWIBFSA-N	-1	3	369.221	2.462	20	30		FEEDHM
Cn1c2ncc(C(=O)Nc3ccc(C(C)(C)C#N)cc3)cc2c(=O)[n-]c1=O	ZINC000500007853	561563881	/nfs/dbraw/zinc/56/38/81/561563881.db2.gz	SXCCRTXJELBUFR-UHFFFAOYSA-N	-1	3	363.377	2.088	20	30		FEEDHM
N#Cc1ccc(Br)c(CN2CCC(c3nc(=O)[n-][nH]3)CC2)c1	ZINC000289576005	552343822	/nfs/dbraw/zinc/34/38/22/552343822.db2.gz	YVCRBTOFDKUNPF-UHFFFAOYSA-N	-1	3	362.231	2.112	20	30		FEEDHM
C=CC[C@H](C)NC(=O)C[N-]S(=O)(=O)c1ccccc1C(F)(F)F	ZINC000290451362	552480817	/nfs/dbraw/zinc/48/08/17/552480817.db2.gz	JTCQVPKLDXFRAK-JTQLQIEISA-N	-1	3	350.362	2.065	20	30		FEEDHM
C=CCCN(C)C(=O)C[N-]S(=O)(=O)c1ccccc1C(F)(F)F	ZINC000290864748	552551889	/nfs/dbraw/zinc/55/18/89/552551889.db2.gz	ZVGWYPDDFUQXAR-UHFFFAOYSA-N	-1	3	350.362	2.018	20	30		FEEDHM
CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@]2(C#N)CC2(C)C)cc1Cl	ZINC000290988658	552573141	/nfs/dbraw/zinc/57/31/41/552573141.db2.gz	STXIIGXDAMNHFQ-AWEZNQCLSA-N	-1	3	359.810	2.408	20	30		FEEDHM
C=CCCc1noc([C@H](C)[N-]S(=O)(=O)c2ccc(NC(C)=O)cc2)n1	ZINC000297229129	553266538	/nfs/dbraw/zinc/26/65/38/553266538.db2.gz	HTJDIWMBXQQCQZ-NSHDSACASA-N	-1	3	364.427	2.186	20	30		FEEDHM
CCC[C@@H](C)CS(=O)(=O)[N-][C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000503777015	561648064	/nfs/dbraw/zinc/64/80/64/561648064.db2.gz	SXGOPRGRFQMXRD-PBHICJAKSA-N	-1	3	363.483	2.409	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-][C@H](CO)Cc2ccc(F)cc2)c(Cl)c1	ZINC000503859737	561649035	/nfs/dbraw/zinc/64/90/35/561649035.db2.gz	VAGJKEJHXHLFNE-AWEZNQCLSA-N	-1	3	368.817	2.233	20	30		FEEDHM
N#Cc1cccc(NC(=O)C2CCN(C(=O)c3ccc(O)cc3[O-])CC2)c1	ZINC000299534179	553577405	/nfs/dbraw/zinc/57/74/05/553577405.db2.gz	QPUYDLSPKFJIRR-UHFFFAOYSA-N	-1	3	365.389	2.460	20	30		FEEDHM
COCC[C@@](C)(C#N)[N-]S(=O)(=O)c1cc(C)c(Br)s1	ZINC000508132813	561752911	/nfs/dbraw/zinc/75/29/11/561752911.db2.gz	OLTANYMSTAAPMP-NSHDSACASA-N	-1	3	367.290	2.416	20	30		FEEDHM
C[C@@]1(CO)CCC[C@@H]1[N-]S(=O)(=O)c1cccc(Br)c1C#N	ZINC000330678176	554156485	/nfs/dbraw/zinc/15/64/85/554156485.db2.gz	WBJGFTXNLMAVTJ-KBPBESRZSA-N	-1	3	373.272	2.150	20	30		FEEDHM
COCC[C@](C)(C#N)[N-]S(=O)(=O)Cc1ccccc1C(F)(F)F	ZINC000508140707	561753202	/nfs/dbraw/zinc/75/32/02/561753202.db2.gz	AUJGCLQXQXLIAQ-CYBMUJFWSA-N	-1	3	350.362	2.444	20	30		FEEDHM
C[N-]S(=O)(=O)c1cc(C(=O)N[C@]2(CO)C[C@@H](C)CC(C)(C)C2)c(C)o1	ZINC000330876386	554181867	/nfs/dbraw/zinc/18/18/67/554181867.db2.gz	VEPRFBBMLZRIJG-APPDUMDISA-N	-1	3	372.487	2.378	20	30		FEEDHM
CCOC(=O)c1nnc(-c2cccc(CNC(=O)CC(C)(C)C#N)c2)[n-]1	ZINC000509480288	561801269	/nfs/dbraw/zinc/80/12/69/561801269.db2.gz	OPBYORSCTHZCAC-UHFFFAOYSA-N	-1	3	355.398	2.204	20	30		FEEDHM
CCOC(=O)c1nc(-c2cccc(CNC(=O)CC(C)(C)C#N)c2)n[n-]1	ZINC000509480288	561801270	/nfs/dbraw/zinc/80/12/70/561801270.db2.gz	OPBYORSCTHZCAC-UHFFFAOYSA-N	-1	3	355.398	2.204	20	30		FEEDHM
CC(C)[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1nncn1C	ZINC000510446524	561834714	/nfs/dbraw/zinc/83/47/14/561834714.db2.gz	ICLRZUGHYYFSFZ-CYBMUJFWSA-N	-1	3	353.835	2.016	20	30		FEEDHM
COc1cccc(C(F)(F)C[N-]S(=O)(=O)c2ccccc2C#N)n1	ZINC000511411674	561868490	/nfs/dbraw/zinc/86/84/90/561868490.db2.gz	BPGALPCTFYLPNP-UHFFFAOYSA-N	-1	3	353.350	2.032	20	30		FEEDHM
CCOC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)Cc1ccc(C#N)cc1	ZINC000511858866	561883210	/nfs/dbraw/zinc/88/32/10/561883210.db2.gz	KRVNMOPUKQEXFL-SFHVURJKSA-N	-1	3	372.446	2.152	20	30		FEEDHM
C[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N1CCC12CCCCC2	ZINC000365578900	555613882	/nfs/dbraw/zinc/61/38/82/555613882.db2.gz	KZJUHQKJPPAYQN-CYBMUJFWSA-N	-1	3	361.467	2.049	20	30		FEEDHM
COC(=O)[C@]12CCC[C@H]1CN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C2	ZINC000369989034	556750402	/nfs/dbraw/zinc/75/04/02/556750402.db2.gz	XEJZLKILVJIMRH-XOBRGWDASA-N	-1	3	371.437	2.010	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCOC[C@@H]1c1ccco1	ZINC000370906576	557010251	/nfs/dbraw/zinc/01/02/51/557010251.db2.gz	WNUWIQJHCZAVEU-MRXNPFEDSA-N	-1	3	355.394	2.401	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCOC[C@H]1c1ccco1	ZINC000370906575	557010657	/nfs/dbraw/zinc/01/06/57/557010657.db2.gz	WNUWIQJHCZAVEU-INIZCTEOSA-N	-1	3	355.394	2.401	20	30		FEEDHM
N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]Cc1ccnc(-n2ccnc2)c1	ZINC000371019102	557047608	/nfs/dbraw/zinc/04/76/08/557047608.db2.gz	PPKOAJYIQFWKOS-UHFFFAOYSA-N	-1	3	373.825	2.271	20	30		FEEDHM
Cc1noc(C)c1S(=O)(=O)[N-]CC1CCN(c2ccccc2C#N)CC1	ZINC000371099640	557074739	/nfs/dbraw/zinc/07/47/39/557074739.db2.gz	MYVLTKPGMFCPKW-UHFFFAOYSA-N	-1	3	374.466	2.358	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N=c1cc(-c2ccncc2)[nH][nH]1	ZINC000372552904	557501994	/nfs/dbraw/zinc/50/19/94/557501994.db2.gz	MLTMQKAEGDWLTG-UHFFFAOYSA-N	-1	3	362.393	2.632	20	30		FEEDHM
Cc1cccc(S(=O)(=O)[N-]c2ccn(C3CCN(C)CC3)n2)c1C#N	ZINC000373205804	557649921	/nfs/dbraw/zinc/64/99/21/557649921.db2.gz	RUXQWMWWJNBXDU-UHFFFAOYSA-N	-1	3	359.455	2.131	20	30		FEEDHM
CC(C)Cn1c(=O)[n-]c(=O)c2c(C(=O)NC[C@@H](C)C#N)cc(C(C)C)nc21	ZINC000520310830	562153215	/nfs/dbraw/zinc/15/32/15/562153215.db2.gz	LYZLJLHICQSWQV-LBPRGKRZSA-N	-1	3	371.441	2.166	20	30		FEEDHM
N#Cc1ccccc1N1CCC(CNC(=O)c2ccc3n[n-]nc3c2)CC1	ZINC000374093061	557822482	/nfs/dbraw/zinc/82/24/82/557822482.db2.gz	PSVQWXJILDDKDR-UHFFFAOYSA-N	-1	3	360.421	2.476	20	30		FEEDHM
CS(=O)(=O)[N-]c1c[nH]nc1[C@H]1CCCN(Cc2cccc(C#N)c2)C1	ZINC000374818192	557935954	/nfs/dbraw/zinc/93/59/54/557935954.db2.gz	JHQZRVRGPZZRAR-HNNXBMFYSA-N	-1	3	359.455	2.032	20	30		FEEDHM
N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@@H]1C[C@H]2OCCC[C@H]12	ZINC000376322063	558157749	/nfs/dbraw/zinc/15/77/49/558157749.db2.gz	LUMFXHXLULARQQ-OASPWFOLSA-N	-1	3	371.256	2.167	20	30		FEEDHM
CC(C)(C#N)CCS(=O)(=O)[N-][C@@H]1CCCN(c2cccc(F)c2)C1=O	ZINC000377825797	558427772	/nfs/dbraw/zinc/42/77/72/558427772.db2.gz	FSGNKLHUZCVEBO-OAHLLOKOSA-N	-1	3	367.446	2.180	20	30		FEEDHM
Cn1ncc2c1ncc(C(=O)N1CC=C(c3ccc(C#N)cc3)CC1)c2[O-]	ZINC000378577349	558587575	/nfs/dbraw/zinc/58/75/75/558587575.db2.gz	DLFZZHWYGXUBIS-UHFFFAOYSA-N	-1	3	359.389	2.475	20	30		FEEDHM
C[C@@H]1CN(Cc2ccccc2)C[C@H]1[N-]S(=O)(=O)c1ccc(C#N)s1	ZINC000389986171	558610329	/nfs/dbraw/zinc/61/03/29/558610329.db2.gz	MEQAXSWMDHQVNI-CZUORRHYSA-N	-1	3	361.492	2.419	20	30		FEEDHM
Cc1cccc(S(=O)(=O)[N-]C[C@H](n2cccn2)C(F)(F)F)c1C#N	ZINC000528451791	562330111	/nfs/dbraw/zinc/33/01/11/562330111.db2.gz	MSZSWNGPGXQXHS-ZDUSSCGKSA-N	-1	3	358.345	2.145	20	30		FEEDHM
C=C(CC)CNC(=O)C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1	ZINC000412403796	559033402	/nfs/dbraw/zinc/03/34/02/559033402.db2.gz	PDCBZFHVLDJNIO-UHFFFAOYSA-N	-1	3	351.255	2.354	20	30		FEEDHM
N#Cc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1C[C@H]2OCCC[C@H]12	ZINC000416475852	559316057	/nfs/dbraw/zinc/31/60/57/559316057.db2.gz	WBOOCQDTUCYKHI-JHJVBQTASA-N	-1	3	371.256	2.167	20	30		FEEDHM
C[C@H]1COCC[C@H]1C[N-]S(=O)(=O)c1cc(Br)ccc1C#N	ZINC000416485807	559316862	/nfs/dbraw/zinc/31/68/62/559316862.db2.gz	GOONAEKHKXYUFY-JQWIXIFHSA-N	-1	3	373.272	2.272	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)c1csnn1	ZINC000416637117	559326699	/nfs/dbraw/zinc/32/66/99/559326699.db2.gz	TUOVJMRNFAJKIP-SSDOTTSWSA-N	-1	3	362.358	2.468	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCN(c3ccc(F)cc3)C2)s1	ZINC000416640308	559326843	/nfs/dbraw/zinc/32/68/43/559326843.db2.gz	DXKMKNJKYBXSGK-GFCCVEGCSA-N	-1	3	351.428	2.316	20	30		FEEDHM
N#Cc1ccc(Br)cc1S(=O)(=O)[N-][C@H]1CCC[C@H](CO)C1	ZINC000416639797	559326883	/nfs/dbraw/zinc/32/68/83/559326883.db2.gz	ASGKMSMDYVITSB-GWCFXTLKSA-N	-1	3	373.272	2.150	20	30		FEEDHM
COC1([C@@H](C)[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)CCOCC1	ZINC000420755108	559502541	/nfs/dbraw/zinc/50/25/41/559502541.db2.gz	BNRXJGJVOOBOLY-LLVKDONJSA-N	-1	3	358.847	2.074	20	30		FEEDHM
COC(=O)c1cnc([C@H](C)[N-]S(=O)(=O)c2ccc(C#N)cc2C)s1	ZINC000425201728	559691003	/nfs/dbraw/zinc/69/10/03/559691003.db2.gz	JOXAODIDSWRYQU-JTQLQIEISA-N	-1	3	365.436	2.149	20	30		FEEDHM
C/C=C\C[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C(=O)OCC	ZINC000433879117	559889440	/nfs/dbraw/zinc/88/94/40/559889440.db2.gz	KLUHKGDLRJCPCJ-DXTPNHAXSA-N	-1	3	356.831	2.388	20	30		FEEDHM
COC(=O)[C@@H](C[N-]S(=O)(=O)CC1(C#N)CCCC1)c1ccc(F)cc1	ZINC000434773654	559908982	/nfs/dbraw/zinc/90/89/82/559908982.db2.gz	KEKDEGHSURCSGR-HNNXBMFYSA-N	-1	3	368.430	2.086	20	30		FEEDHM
COC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)s1)C1CCCCC1	ZINC000435443238	559923320	/nfs/dbraw/zinc/92/33/20/559923320.db2.gz	MTUIVNCPJJWLNM-CYBMUJFWSA-N	-1	3	356.469	2.410	20	30		FEEDHM
CC[C@H](C)[C@@H]([N-]S(C)(=O)=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1	ZINC000435443536	559923323	/nfs/dbraw/zinc/92/33/23/559923323.db2.gz	QUWCZOMYRONCBD-BLLLJJGKSA-N	-1	3	367.471	2.248	20	30		FEEDHM
Cc1cc(CN2C(=O)c3ccccc3C2=O)cc(C(=O)N[C@@H](C)C#N)c1[O-]	ZINC000436536603	559944892	/nfs/dbraw/zinc/94/48/92/559944892.db2.gz	DIYQJWCIGDWONU-LBPRGKRZSA-N	-1	3	363.373	2.139	20	30		FEEDHM
N#Cc1ccc(NC(=O)NCCNC(=O)c2ccc([O-])cc2)c(Cl)c1	ZINC000436785058	559952088	/nfs/dbraw/zinc/95/20/88/559952088.db2.gz	ZPEAXBLJZYTJOF-UHFFFAOYSA-N	-1	3	358.785	2.469	20	30		FEEDHM
N#CC[C@H](CC(=O)NCCNC(=O)c1ccc([O-])cc1)c1ccccc1	ZINC000436978390	559958352	/nfs/dbraw/zinc/95/83/52/559958352.db2.gz	HHUVXJDUXMJLCD-QGZVFWFLSA-N	-1	3	351.406	2.326	20	30		FEEDHM
C=CCn1c(CCCC)nnc1N1CCN(C(=O)c2ccccc2[O-])CC1	ZINC000437001572	559959148	/nfs/dbraw/zinc/95/91/48/559959148.db2.gz	KPWMHUAEFUOYMP-UHFFFAOYSA-N	-1	3	369.469	2.475	20	30		FEEDHM
N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CCCO[C@@H]1CCCCO1	ZINC000439199713	559989949	/nfs/dbraw/zinc/98/99/49/559989949.db2.gz	MZBUYVUTLRXDIF-OAHLLOKOSA-N	-1	3	358.847	2.423	20	30		FEEDHM
CCc1[n-][nH]c(=NC(=O)c2ccc(C#N)nc2)c1-c1ccc2c(c1)OCO2	ZINC000440470737	560011605	/nfs/dbraw/zinc/01/16/05/560011605.db2.gz	OGXWCBOHPUEQQA-UHFFFAOYSA-N	-1	3	361.361	2.887	20	30		FEEDHM
N#Cc1ccncc1NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F	ZINC000440646352	560015294	/nfs/dbraw/zinc/01/52/94/560015294.db2.gz	FOUZYHDGAPJFCQ-UHFFFAOYSA-N	-1	3	354.794	2.136	20	30		FEEDHM
C=CCCC1(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)CC1	ZINC000441408546	560031456	/nfs/dbraw/zinc/03/14/56/560031456.db2.gz	KVYDGDNZBUYQBQ-UHFFFAOYSA-N	-1	3	358.410	2.106	20	30		FEEDHM
N#Cc1ccc(OCC[N-]S(=O)(=O)c2cnccc2C(F)(F)F)cc1	ZINC000442760070	560056399	/nfs/dbraw/zinc/05/63/99/560056399.db2.gz	FUCSGGBGMFLBKG-UHFFFAOYSA-N	-1	3	371.340	2.329	20	30		FEEDHM
COc1cc(CNC(=O)c2ccc(C#N)c([O-])c2)ccc1OCCN(C)C	ZINC000442946194	560063080	/nfs/dbraw/zinc/06/30/80/560063080.db2.gz	UCTCUJXZYAYLAJ-UHFFFAOYSA-N	-1	3	369.421	2.143	20	30		FEEDHM
Cc1nc2ccccc2n1CC[N-]S(=O)(=O)c1ccc(F)cc1C#N	ZINC000443093115	560070327	/nfs/dbraw/zinc/07/03/27/560070327.db2.gz	IKQQKLSHYBIOTB-UHFFFAOYSA-N	-1	3	358.398	2.334	20	30		FEEDHM
CCOC(=O)[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)[C@H](C)CC	ZINC000443304086	560078641	/nfs/dbraw/zinc/07/86/41/560078641.db2.gz	ADNGXMWZWLCXIA-QMTHXVAHSA-N	-1	3	358.847	2.468	20	30		FEEDHM
N#Cc1cc(F)ccc1S(=O)(=O)[N-]CC[C@@H]1COc2ccccc2O1	ZINC000443487997	560085391	/nfs/dbraw/zinc/08/53/91/560085391.db2.gz	IEMUEAHKJDDNBG-CQSZACIVSA-N	-1	3	362.382	2.206	20	30		FEEDHM
N#Cc1ccc(NCC(=O)Nc2ccc(OC(F)(F)F)cc2[O-])nc1	ZINC000443561742	560087541	/nfs/dbraw/zinc/08/75/41/560087541.db2.gz	TWPUZCBUUYIUFL-UHFFFAOYSA-N	-1	3	352.272	2.608	20	30		FEEDHM
CN1C[C@H](C[N-]S(=O)(=O)c2ccc(F)cc2C#N)Cc2ccccc21	ZINC000444292924	560108258	/nfs/dbraw/zinc/10/82/58/560108258.db2.gz	XXXGBYLZJIKOOH-ZDUSSCGKSA-N	-1	3	359.426	2.284	20	30		FEEDHM
COC(=O)c1cc(C[N-]S(=O)(=O)Cc2ccc(F)cc2C#N)oc1C	ZINC000451042653	560284374	/nfs/dbraw/zinc/28/43/74/560284374.db2.gz	QNQHHDSCAYSKRF-UHFFFAOYSA-N	-1	3	366.370	2.005	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)CC1(CC#N)CC1)c1noc(Cc2ccccc2)n1	ZINC000451290226	560298403	/nfs/dbraw/zinc/29/84/03/560298403.db2.gz	LNVMKBCEQINZCE-CYBMUJFWSA-N	-1	3	360.439	2.335	20	30		FEEDHM
CCC[C@H](C[N-]S(=O)(=O)c1cccc(Br)c1C#N)OC	ZINC000451638692	560318684	/nfs/dbraw/zinc/31/86/84/560318684.db2.gz	IEFBRXFYABRLML-SNVBAGLBSA-N	-1	3	361.261	2.414	20	30		FEEDHM
CC(C)[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)[C@@H](CO)C(C)C	ZINC000451864101	560333166	/nfs/dbraw/zinc/33/31/66/560333166.db2.gz	WRSBUFNJTNQKGI-XJKSGUPXSA-N	-1	3	369.443	2.034	20	30		FEEDHM
CC(C)[C@@H](CO)[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)C(C)C	ZINC000451864099	560333175	/nfs/dbraw/zinc/33/31/75/560333175.db2.gz	WRSBUFNJTNQKGI-CZUORRHYSA-N	-1	3	369.443	2.034	20	30		FEEDHM
C=CCC1([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)nc2)CCCCC1	ZINC000451934586	560339027	/nfs/dbraw/zinc/33/90/27/560339027.db2.gz	DAHBRBBELWTAII-UHFFFAOYSA-N	-1	3	358.485	2.042	20	30		FEEDHM
CCOC(=O)[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cccc(Cl)c1C#N	ZINC000451947994	560340026	/nfs/dbraw/zinc/34/00/26/560340026.db2.gz	RFJBGOONTFRYFQ-MFKMUULPSA-N	-1	3	356.831	2.222	20	30		FEEDHM
C=C(C)CCNC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl	ZINC000455321643	560477991	/nfs/dbraw/zinc/47/79/91/560477991.db2.gz	JJYYLBMJXSWSCM-UHFFFAOYSA-N	-1	3	363.842	2.023	20	30		FEEDHM
C=C(CC)CNC(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1	ZINC000455535737	560486179	/nfs/dbraw/zinc/48/61/79/560486179.db2.gz	AWPVZFYUWMKKHD-UHFFFAOYSA-N	-1	3	357.501	2.167	20	30		FEEDHM
C=C[C@H](C)[N-]S(=O)(=O)c1ccc(C(=O)OCC)cc1Br	ZINC000465476603	560865978	/nfs/dbraw/zinc/86/59/78/560865978.db2.gz	XQPUCPCWNOQGHQ-VIFPVBQESA-N	-1	3	362.245	2.479	20	30		FEEDHM
C[C@H](C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)N1CCCC[C@H]1C	ZINC000467156777	560905144	/nfs/dbraw/zinc/90/51/44/560905144.db2.gz	CFXFSSRZIOTLPE-VXGBXAGGSA-N	-1	3	357.426	2.378	20	30		FEEDHM
CCOC(=O)c1ccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cn1	ZINC000531768293	562456080	/nfs/dbraw/zinc/45/60/80/562456080.db2.gz	CFAKSYGXJHDMGG-UHFFFAOYSA-N	-1	3	368.393	2.419	20	30		FEEDHM
CCCCn1cc(C[N-]S(=O)(=O)c2ccc(F)cc2C#N)c(C)n1	ZINC000536903620	562582222	/nfs/dbraw/zinc/58/22/22/562582222.db2.gz	DGXXBJQDJSRSMT-UHFFFAOYSA-N	-1	3	350.419	2.481	20	30		FEEDHM
Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-][C@@H](C#N)C1CCCCC1	ZINC000601962674	567887838	/nfs/dbraw/zinc/88/78/38/567887838.db2.gz	NSYKJENKGHKSLO-NSHDSACASA-N	-1	3	350.366	2.190	20	30		FEEDHM
Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)SCCc2nnn[n-]2)c1	ZINC000603339919	568087022	/nfs/dbraw/zinc/08/70/22/568087022.db2.gz	VFNZMMXCUHDOTH-AWEZNQCLSA-N	-1	3	358.471	2.428	20	30		FEEDHM
Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)SCCc2nn[n-]n2)c1	ZINC000603339919	568087023	/nfs/dbraw/zinc/08/70/23/568087023.db2.gz	VFNZMMXCUHDOTH-AWEZNQCLSA-N	-1	3	358.471	2.428	20	30		FEEDHM
CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1ccc([S@@](C)=O)cc1	ZINC000819772647	607252453	/nfs/dbraw/zinc/25/24/53/607252453.db2.gz	IIJWNARTJRSLNX-RUZDIDTESA-N	-1	3	354.439	2.118	20	30		FEEDHM
CC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1ccc([S@@](C)=O)cc1	ZINC000819772647	607252454	/nfs/dbraw/zinc/25/24/54/607252454.db2.gz	IIJWNARTJRSLNX-RUZDIDTESA-N	-1	3	354.439	2.118	20	30		FEEDHM
C#CCOc1ccc(N[C@@H](C(=O)OC)c2ccc(-c3nnn[n-]3)cc2)cc1	ZINC000735380986	598884135	/nfs/dbraw/zinc/88/41/35/598884135.db2.gz	QFVJIQSTOQPPMO-QGZVFWFLSA-N	-1	3	363.377	2.205	20	30		FEEDHM
C#CCOc1ccc(N[C@@H](C(=O)OC)c2ccc(-c3nn[n-]n3)cc2)cc1	ZINC000735380986	598884136	/nfs/dbraw/zinc/88/41/36/598884136.db2.gz	QFVJIQSTOQPPMO-QGZVFWFLSA-N	-1	3	363.377	2.205	20	30		FEEDHM
CC(=O)Nc1ccc(F)c(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c1	ZINC000735488718	598913156	/nfs/dbraw/zinc/91/31/56/598913156.db2.gz	MCHRRKXZMYVTBH-UHFFFAOYSA-N	-1	3	365.328	2.088	20	30		FEEDHM
CC(=O)Nc1ccc(F)c(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c1	ZINC000735488718	598913158	/nfs/dbraw/zinc/91/31/58/598913158.db2.gz	MCHRRKXZMYVTBH-UHFFFAOYSA-N	-1	3	365.328	2.088	20	30		FEEDHM
N#Cc1cc(NC(=O)[C@H](c2ccccc2)n2cccn2)ccc1-c1nnn[n-]1	ZINC000737705018	598913840	/nfs/dbraw/zinc/91/38/40/598913840.db2.gz	METZZBUAJSKMOG-KRWDZBQOSA-N	-1	3	370.376	2.163	20	30		FEEDHM
N#Cc1cc(NC(=O)[C@H](c2ccccc2)n2cccn2)ccc1-c1nn[n-]n1	ZINC000737705018	598913842	/nfs/dbraw/zinc/91/38/42/598913842.db2.gz	METZZBUAJSKMOG-KRWDZBQOSA-N	-1	3	370.376	2.163	20	30		FEEDHM
C[C@H](Oc1ccc(F)c(F)c1)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1	ZINC000736174898	598917358	/nfs/dbraw/zinc/91/73/58/598917358.db2.gz	PKCRWRIOUAJGCP-VIFPVBQESA-N	-1	3	370.319	2.423	20	30		FEEDHM
C[C@H](Oc1ccc(F)c(F)c1)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1	ZINC000736174898	598917360	/nfs/dbraw/zinc/91/73/60/598917360.db2.gz	PKCRWRIOUAJGCP-VIFPVBQESA-N	-1	3	370.319	2.423	20	30		FEEDHM
N#Cc1cc(NC(=O)C2(c3ccccc3)CCOCC2)ccc1-c1nnn[n-]1	ZINC000737706101	598919008	/nfs/dbraw/zinc/91/90/08/598919008.db2.gz	WBHCOKYVWJGFCF-UHFFFAOYSA-N	-1	3	374.404	2.425	20	30		FEEDHM
N#Cc1cc(NC(=O)C2(c3ccccc3)CCOCC2)ccc1-c1nn[n-]n1	ZINC000737706101	598919010	/nfs/dbraw/zinc/91/90/10/598919010.db2.gz	WBHCOKYVWJGFCF-UHFFFAOYSA-N	-1	3	374.404	2.425	20	30		FEEDHM
COCCOc1cccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c1	ZINC000737015554	598919419	/nfs/dbraw/zinc/91/94/19/598919419.db2.gz	QJCRNPPNZOTUGM-UHFFFAOYSA-N	-1	3	364.365	2.016	20	30		FEEDHM
COCCOc1cccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c1	ZINC000737015554	598919421	/nfs/dbraw/zinc/91/94/21/598919421.db2.gz	QJCRNPPNZOTUGM-UHFFFAOYSA-N	-1	3	364.365	2.016	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2ccn(-c3ccc(F)cc3)n2)cc1-c1nnn[n-]1	ZINC000737720120	598920782	/nfs/dbraw/zinc/92/07/82/598920782.db2.gz	YSLKWQQFQSZDNJ-UHFFFAOYSA-N	-1	3	374.339	2.315	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2ccn(-c3ccc(F)cc3)n2)cc1-c1nn[n-]n1	ZINC000737720120	598920784	/nfs/dbraw/zinc/92/07/84/598920784.db2.gz	YSLKWQQFQSZDNJ-UHFFFAOYSA-N	-1	3	374.339	2.315	20	30		FEEDHM
COc1ccccc1C1(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)CC1	ZINC000737146609	598926687	/nfs/dbraw/zinc/92/66/87/598926687.db2.gz	HYILWAZHFSUCDH-UHFFFAOYSA-N	-1	3	360.377	2.417	20	30		FEEDHM
COc1ccccc1C1(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)CC1	ZINC000737146609	598926688	/nfs/dbraw/zinc/92/66/88/598926688.db2.gz	HYILWAZHFSUCDH-UHFFFAOYSA-N	-1	3	360.377	2.417	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2cnn(-c3ccccc3)c2)cc1-c1nnn[n-]1	ZINC000737718126	598928940	/nfs/dbraw/zinc/92/89/40/598928940.db2.gz	FOMDPRCRQNIJJX-UHFFFAOYSA-N	-1	3	356.349	2.176	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2cnn(-c3ccccc3)c2)cc1-c1nn[n-]n1	ZINC000737718126	598928942	/nfs/dbraw/zinc/92/89/42/598928942.db2.gz	FOMDPRCRQNIJJX-UHFFFAOYSA-N	-1	3	356.349	2.176	20	30		FEEDHM
C[C@@](C#N)(NC(=O)CNc1ccc(-c2nn[n-]n2)cc1)C1CCCCC1	ZINC000735504994	598970106	/nfs/dbraw/zinc/97/01/06/598970106.db2.gz	QECPLWCQHKUQLB-SFHVURJKSA-N	-1	3	353.430	2.257	20	30		FEEDHM
Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N(CCC#N)CCC(C)C	ZINC000737221542	599003628	/nfs/dbraw/zinc/00/36/28/599003628.db2.gz	NXJPIAVSLLMSIQ-UHFFFAOYSA-N	-1	3	362.459	2.126	20	30		FEEDHM
Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N(CCC#N)CCC(C)C	ZINC000737221542	599003630	/nfs/dbraw/zinc/00/36/30/599003630.db2.gz	NXJPIAVSLLMSIQ-UHFFFAOYSA-N	-1	3	362.459	2.126	20	30		FEEDHM
Cc1cc(C)c(-c2nnn[n-]2)c(S[C@@H](C(N)=O)c2ccc(C#N)cc2)n1	ZINC000737241407	599011541	/nfs/dbraw/zinc/01/15/41/599011541.db2.gz	PUFDINGRVWGSNP-CQSZACIVSA-N	-1	3	365.422	2.069	20	30		FEEDHM
Cc1cc(C)c(-c2nn[n-]n2)c(S[C@@H](C(N)=O)c2ccc(C#N)cc2)n1	ZINC000737241407	599011543	/nfs/dbraw/zinc/01/15/43/599011543.db2.gz	PUFDINGRVWGSNP-CQSZACIVSA-N	-1	3	365.422	2.069	20	30		FEEDHM
CC[C@H](C#N)NC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1	ZINC000736310496	599026487	/nfs/dbraw/zinc/02/64/87/599026487.db2.gz	ZOHHVTXIHVJNRH-MRXNPFEDSA-N	-1	3	362.393	2.478	20	30		FEEDHM
N#Cc1nnc2ccccc2c1NCCOc1ccc(-c2nn[n-]n2)cc1	ZINC000822845973	599049278	/nfs/dbraw/zinc/04/92/78/599049278.db2.gz	KPDSDECJSKBKMP-UHFFFAOYSA-N	-1	3	358.365	2.172	20	30		FEEDHM
O=C1C(=Cc2cnc(N3CCCC3)nc2)CCc2cc(-c3nnn[n-]3)ccc21	ZINC000823504077	599114008	/nfs/dbraw/zinc/11/40/08/599114008.db2.gz	LPESITNQKFBEHY-OQLLNIDSSA-N	-1	3	373.420	2.469	20	30		FEEDHM
O=C1C(=Cc2cnc(N3CCCC3)nc2)CCc2cc(-c3nn[n-]n3)ccc21	ZINC000823504077	599114010	/nfs/dbraw/zinc/11/40/10/599114010.db2.gz	LPESITNQKFBEHY-OQLLNIDSSA-N	-1	3	373.420	2.469	20	30		FEEDHM
COc1ccc(C=NNC(=S)NC2CCCCC2)cc1-c1nnn[n-]1	ZINC000737081673	599126549	/nfs/dbraw/zinc/12/65/49/599126549.db2.gz	REPLRVFGGLNPQV-UHFFFAOYSA-N	-1	3	359.459	2.006	20	30		FEEDHM
COc1ccc(C=NNC(=S)NC2CCCCC2)cc1-c1nn[n-]n1	ZINC000737081673	599126552	/nfs/dbraw/zinc/12/65/52/599126552.db2.gz	REPLRVFGGLNPQV-UHFFFAOYSA-N	-1	3	359.459	2.006	20	30		FEEDHM
N#Cc1ccc(NC(=O)C(=O)c2ccc3c(c2)CCC3)cc1-c1nnn[n-]1	ZINC000737717588	599199025	/nfs/dbraw/zinc/19/90/25/599199025.db2.gz	GPMWNJJGNDQZKZ-UHFFFAOYSA-N	-1	3	358.361	2.048	20	30		FEEDHM
N#Cc1ccc(NC(=O)C(=O)c2ccc3c(c2)CCC3)cc1-c1nn[n-]n1	ZINC000737717588	599199026	/nfs/dbraw/zinc/19/90/26/599199026.db2.gz	GPMWNJJGNDQZKZ-UHFFFAOYSA-N	-1	3	358.361	2.048	20	30		FEEDHM
C#CCN(CC#CC)C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1	ZINC000735375130	599228538	/nfs/dbraw/zinc/22/85/38/599228538.db2.gz	UKROUVQYJDDFHK-UHFFFAOYSA-N	-1	3	372.388	2.153	20	30		FEEDHM
C#CCN(CC#CC)C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1	ZINC000735375130	599228539	/nfs/dbraw/zinc/22/85/39/599228539.db2.gz	UKROUVQYJDDFHK-UHFFFAOYSA-N	-1	3	372.388	2.153	20	30		FEEDHM
C=CCNc1ncc(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)s1	ZINC000819751645	607323872	/nfs/dbraw/zinc/32/38/72/607323872.db2.gz	YPQLNNNOGLTPIZ-JTQLQIEISA-N	-1	3	355.427	2.412	20	30		FEEDHM
C=CCNc1ncc(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)s1	ZINC000819751645	607323873	/nfs/dbraw/zinc/32/38/73/607323873.db2.gz	YPQLNNNOGLTPIZ-JTQLQIEISA-N	-1	3	355.427	2.412	20	30		FEEDHM
C=CCNc1ncc(C(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)s1	ZINC000819751132	607323878	/nfs/dbraw/zinc/32/38/78/607323878.db2.gz	QZVITKDRDZQJGZ-UHFFFAOYSA-N	-1	3	355.427	2.193	20	30		FEEDHM
C=CCNc1ncc(C(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)s1	ZINC000819751132	607323879	/nfs/dbraw/zinc/32/38/79/607323879.db2.gz	QZVITKDRDZQJGZ-UHFFFAOYSA-N	-1	3	355.427	2.193	20	30		FEEDHM
N#Cc1cc(F)c(N2CCN(c3ccccc3-c3nnn[n-]3)CC2)c(F)c1	ZINC000737704993	598244685	/nfs/dbraw/zinc/24/46/85/598244685.db2.gz	MBIIRAHWQBPXLB-UHFFFAOYSA-N	-1	3	367.363	2.343	20	30		FEEDHM
N#Cc1cc(F)c(N2CCN(c3ccccc3-c3nn[n-]n3)CC2)c(F)c1	ZINC000737704993	598244687	/nfs/dbraw/zinc/24/46/87/598244687.db2.gz	MBIIRAHWQBPXLB-UHFFFAOYSA-N	-1	3	367.363	2.343	20	30		FEEDHM
COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)N[C@@H](C#N)CC(C)C	ZINC000737033464	598335387	/nfs/dbraw/zinc/33/53/87/598335387.db2.gz	PMUBIVATDIKCGZ-CQSZACIVSA-N	-1	3	372.429	2.089	20	30		FEEDHM
COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)N[C@@H](C#N)CC(C)C	ZINC000737033464	598335389	/nfs/dbraw/zinc/33/53/89/598335389.db2.gz	PMUBIVATDIKCGZ-CQSZACIVSA-N	-1	3	372.429	2.089	20	30		FEEDHM
N#CCOc1cccc(C=C2N=C(c3ccc(-c4nnn[n-]4)cc3)OC2=O)c1	ZINC000737698309	598378913	/nfs/dbraw/zinc/37/89/13/598378913.db2.gz	WLFGLXSEXSKRLB-LFIBNONCSA-N	-1	3	372.344	2.114	20	30		FEEDHM
N#CCOc1cccc(C=C2N=C(c3ccc(-c4nn[n-]n4)cc3)OC2=O)c1	ZINC000737698309	598378915	/nfs/dbraw/zinc/37/89/15/598378915.db2.gz	WLFGLXSEXSKRLB-LFIBNONCSA-N	-1	3	372.344	2.114	20	30		FEEDHM
C#CCOc1cccc(NC(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)c1	ZINC000735381231	598494272	/nfs/dbraw/zinc/49/42/72/598494272.db2.gz	RODPPRWWKIOILU-CYBMUJFWSA-N	-1	3	363.377	2.285	20	30		FEEDHM
C#CCOc1cccc(NC(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)c1	ZINC000735381231	598494273	/nfs/dbraw/zinc/49/42/73/598494273.db2.gz	RODPPRWWKIOILU-CYBMUJFWSA-N	-1	3	363.377	2.285	20	30		FEEDHM
N#CCN(C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1)C1CC1	ZINC000737692095	598541114	/nfs/dbraw/zinc/54/11/14/598541114.db2.gz	BTQGSZQGQFPZNZ-UHFFFAOYSA-N	-1	3	364.365	2.167	20	30		FEEDHM
N#Cc1cccc(C(=O)COC(=O)CCc2ccc(-c3nnn[n-]3)cc2)c1	ZINC000826386915	607362574	/nfs/dbraw/zinc/36/25/74/607362574.db2.gz	YKRBSWDDDYJGOU-UHFFFAOYSA-N	-1	3	361.361	2.097	20	30		FEEDHM
N#Cc1cccc(C(=O)COC(=O)CCc2ccc(-c3nn[n-]n3)cc2)c1	ZINC000826386915	607362575	/nfs/dbraw/zinc/36/25/75/607362575.db2.gz	YKRBSWDDDYJGOU-UHFFFAOYSA-N	-1	3	361.361	2.097	20	30		FEEDHM
Cc1cc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)n(CCC#N)n1	ZINC000737275668	598657193	/nfs/dbraw/zinc/65/71/93/598657193.db2.gz	UEDNWQYHCUXWBR-UHFFFAOYSA-N	-1	3	368.426	2.016	20	30		FEEDHM
Cc1cc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)n(CCC#N)n1	ZINC000737275668	598657194	/nfs/dbraw/zinc/65/71/94/598657194.db2.gz	UEDNWQYHCUXWBR-UHFFFAOYSA-N	-1	3	368.426	2.016	20	30		FEEDHM
CCN(CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)C[C@H](C)C#N	ZINC000736533585	598760340	/nfs/dbraw/zinc/76/03/40/598760340.db2.gz	ACYMMJAJAQDRJQ-LLVKDONJSA-N	-1	3	373.486	2.227	20	30		FEEDHM
N#Cc1cccc(C(=O)Nc2ccnn2-c2ccc(-c3nn[n-]n3)cc2)c1	ZINC000737722323	598807892	/nfs/dbraw/zinc/80/78/92/598807892.db2.gz	HHHWKIZBAYMLDI-UHFFFAOYSA-N	-1	3	356.349	2.176	20	30		FEEDHM
C=C1CCN(C(=O)CCCOc2ccc(-c3nnn[n-]3)cc2OC)CC1	ZINC000735402271	598813482	/nfs/dbraw/zinc/81/34/82/598813482.db2.gz	OVTHTQKUIUKRJK-UHFFFAOYSA-N	-1	3	357.414	2.213	20	30		FEEDHM
C=C1CCN(C(=O)CCCOc2ccc(-c3nn[n-]n3)cc2OC)CC1	ZINC000735402271	598813485	/nfs/dbraw/zinc/81/34/85/598813485.db2.gz	OVTHTQKUIUKRJK-UHFFFAOYSA-N	-1	3	357.414	2.213	20	30		FEEDHM
Cc1cc(C#N)cc(C)c1OCC(=O)NCc1ccc(-c2nnn[n-]2)cc1	ZINC000822162075	599389595	/nfs/dbraw/zinc/38/95/95/599389595.db2.gz	XKGVPOWULPMNKR-UHFFFAOYSA-N	-1	3	362.393	2.050	20	30		FEEDHM
Cc1cc(C#N)cc(C)c1OCC(=O)NCc1ccc(-c2nn[n-]n2)cc1	ZINC000822162075	599389598	/nfs/dbraw/zinc/38/95/98/599389598.db2.gz	XKGVPOWULPMNKR-UHFFFAOYSA-N	-1	3	362.393	2.050	20	30		FEEDHM
C=C(Cl)CNC(=O)NCCSCc1ccccc1-c1nnn[n-]1	ZINC000735401935	599452982	/nfs/dbraw/zinc/45/29/82/599452982.db2.gz	AENVHXXKVCWUMJ-UHFFFAOYSA-N	-1	3	352.851	2.152	20	30		FEEDHM
C=C(Cl)CNC(=O)NCCSCc1ccccc1-c1nn[n-]n1	ZINC000735401935	599452983	/nfs/dbraw/zinc/45/29/83/599452983.db2.gz	AENVHXXKVCWUMJ-UHFFFAOYSA-N	-1	3	352.851	2.152	20	30		FEEDHM
Fc1cc(F)c(NN=Cc2cnc3ccc(-c4nn[n-]n4)cn23)cc1F	ZINC000737644800	599458146	/nfs/dbraw/zinc/45/81/46/599458146.db2.gz	MHDDYAOZLSVWRQ-UHFFFAOYSA-N	-1	3	358.287	2.378	20	30		FEEDHM
CN(Cc1cccc(C#N)c1)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F	ZINC000821613364	599461942	/nfs/dbraw/zinc/46/19/42/599461942.db2.gz	JWIBKBJANNVRPP-UHFFFAOYSA-N	-1	3	365.372	2.219	20	30		FEEDHM
CN(Cc1cccc(C#N)c1)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F	ZINC000821613364	599461945	/nfs/dbraw/zinc/46/19/45/599461945.db2.gz	JWIBKBJANNVRPP-UHFFFAOYSA-N	-1	3	365.372	2.219	20	30		FEEDHM
C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@H](C)c1cccc(C#N)c1	ZINC000820542865	599509609	/nfs/dbraw/zinc/50/96/09/599509609.db2.gz	RSTUDLDULGURMK-CHWSQXEVSA-N	-1	3	362.393	2.383	20	30		FEEDHM
C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@H](C)c1cccc(C#N)c1	ZINC000820542865	599509610	/nfs/dbraw/zinc/50/96/10/599509610.db2.gz	RSTUDLDULGURMK-CHWSQXEVSA-N	-1	3	362.393	2.383	20	30		FEEDHM
N#CCN(CC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1)C1CCCC1	ZINC000737694838	599590374	/nfs/dbraw/zinc/59/03/74/599590374.db2.gz	XWWKPHIHIWLJSW-UHFFFAOYSA-N	-1	3	359.821	2.227	20	30		FEEDHM
N#CCN(CC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1)C1CCCC1	ZINC000737694838	599590377	/nfs/dbraw/zinc/59/03/77/599590377.db2.gz	XWWKPHIHIWLJSW-UHFFFAOYSA-N	-1	3	359.821	2.227	20	30		FEEDHM
CC(C)Oc1ccc(NC(=O)c2cc(-c3nnn[n-]3)cn2C)cc1C#N	ZINC000820170138	607402055	/nfs/dbraw/zinc/40/20/55/607402055.db2.gz	RXBGNTHIDFUMJU-UHFFFAOYSA-N	-1	3	351.370	2.116	20	30		FEEDHM
CC(C)Oc1ccc(NC(=O)c2cc(-c3nn[n-]n3)cn2C)cc1C#N	ZINC000820170138	607402056	/nfs/dbraw/zinc/40/20/56/607402056.db2.gz	RXBGNTHIDFUMJU-UHFFFAOYSA-N	-1	3	351.370	2.116	20	30		FEEDHM
N#Cc1c2[nH]c3ccccc3n2c(=O)cc1CN1CCC[C@@H](C(=O)[O-])C1	ZINC000739066811	600130652	/nfs/dbraw/zinc/13/06/52/600130652.db2.gz	REEBBTPZIMBAGK-TZMCWYRMSA-N	-1	3	350.378	2.020	20	30		FEEDHM
N#CCC[C@@H](NC(=O)COc1ccc(-c2nn[n-]n2)cc1)c1ccccc1	ZINC000826381297	607429539	/nfs/dbraw/zinc/42/95/39/607429539.db2.gz	GDEKPJBRPPWUBZ-QGZVFWFLSA-N	-1	3	362.393	2.407	20	30		FEEDHM
Cc1c(CC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cccc1[N+](=O)[O-]	ZINC000826236697	607432090	/nfs/dbraw/zinc/43/20/90/607432090.db2.gz	YHTGVIIHFLOHBJ-UHFFFAOYSA-N	-1	3	363.337	2.136	20	30		FEEDHM
Cc1c(CC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cccc1[N+](=O)[O-]	ZINC000826236697	607432091	/nfs/dbraw/zinc/43/20/91/607432091.db2.gz	YHTGVIIHFLOHBJ-UHFFFAOYSA-N	-1	3	363.337	2.136	20	30		FEEDHM
COc1ccc(CNc2cc(C#N)nc3ccccc32)cc1-c1nnn[n-]1	ZINC000826203571	607559276	/nfs/dbraw/zinc/55/92/76/607559276.db2.gz	WBMXOLNXYJXWLR-UHFFFAOYSA-N	-1	3	357.377	2.329	20	30		FEEDHM
COc1ccc(CNc2cc(C#N)nc3ccccc32)cc1-c1nn[n-]n1	ZINC000826203571	607559277	/nfs/dbraw/zinc/55/92/77/607559277.db2.gz	WBMXOLNXYJXWLR-UHFFFAOYSA-N	-1	3	357.377	2.329	20	30		FEEDHM
C[C@H]1CCCC[C@]1(CNC(=O)[O-])NCC(=O)Nc1sccc1C#N	ZINC000739098157	602432998	/nfs/dbraw/zinc/43/29/98/602432998.db2.gz	HSLPFOLICXAFKX-MEDUHNTESA-N	-1	3	350.444	2.364	20	30		FEEDHM
CC(C)CN(CCC#N)S(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1	ZINC000824255653	607608090	/nfs/dbraw/zinc/60/80/90/607608090.db2.gz	RYDYFJXBFKTRNX-UHFFFAOYSA-N	-1	3	368.850	2.080	20	30		FEEDHM
CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCC[C@H](NC(=O)[O-])C1	ZINC000739613132	603204329	/nfs/dbraw/zinc/20/43/29/603204329.db2.gz	NYRVFWPEPJXOHA-MSOLQXFVSA-N	-1	3	372.469	2.275	20	30		FEEDHM
CCN(CC1CCN(C[C@@H](O)COc2ccc(C#N)cc2)CC1)C(=O)[O-]	ZINC000827093003	603510256	/nfs/dbraw/zinc/51/02/56/603510256.db2.gz	KVDFKZRGWMKKDQ-QGZVFWFLSA-N	-1	3	361.442	2.010	20	30		FEEDHM
COc1ccc(NC(=O)C(C#N)C(=O)[C@H]2CCC[C@@H](NC(=O)[O-])C2)cc1	ZINC000829442237	604221835	/nfs/dbraw/zinc/22/18/35/604221835.db2.gz	LDTODJZMHHICAX-NJZAAPMLSA-N	-1	3	359.382	2.169	20	30		FEEDHM
C=CCN1CCC(NC(=O)NCc2ccc(C(=O)[O-])c(C3CC3)n2)CC1	ZINC000833376775	605630131	/nfs/dbraw/zinc/63/01/31/605630131.db2.gz	BNOCKBMQAYXRBS-UHFFFAOYSA-N	-1	3	358.442	2.107	20	30		FEEDHM
N#Cc1cc(NC(=O)c2ccc(Br)nc2)ccc1-c1nnn[n-]1	ZINC000822822731	606103393	/nfs/dbraw/zinc/10/33/93/606103393.db2.gz	DPBGNIMNSCLNOH-UHFFFAOYSA-N	-1	3	370.170	2.148	20	30		FEEDHM
N#Cc1cc(NC(=O)c2ccc(Br)nc2)ccc1-c1nn[n-]n1	ZINC000822822731	606103394	/nfs/dbraw/zinc/10/33/94/606103394.db2.gz	DPBGNIMNSCLNOH-UHFFFAOYSA-N	-1	3	370.170	2.148	20	30		FEEDHM
COc1ccc(NC(=S)NN=Cc2cc(-c3nnn[n-]3)cs2)cc1	ZINC000821835402	606203978	/nfs/dbraw/zinc/20/39/78/606203978.db2.gz	JUGRYDXFCYNYJL-UHFFFAOYSA-N	-1	3	359.440	2.257	20	30		FEEDHM
COc1ccc(NC(=S)NN=Cc2cc(-c3nn[n-]n3)cs2)cc1	ZINC000821835402	606203979	/nfs/dbraw/zinc/20/39/79/606203979.db2.gz	JUGRYDXFCYNYJL-UHFFFAOYSA-N	-1	3	359.440	2.257	20	30		FEEDHM
N#Cc1ccsc1N1CC[C@@H](Sc2cc(-c3nnn[n-]3)ccn2)C1=O	ZINC000822842538	606311188	/nfs/dbraw/zinc/31/11/88/606311188.db2.gz	NBDGNMUTNGVPHC-LLVKDONJSA-N	-1	3	369.435	2.092	20	30		FEEDHM
N#Cc1ccsc1N1CC[C@@H](Sc2cc(-c3nn[n-]n3)ccn2)C1=O	ZINC000822842538	606311190	/nfs/dbraw/zinc/31/11/90/606311190.db2.gz	NBDGNMUTNGVPHC-LLVKDONJSA-N	-1	3	369.435	2.092	20	30		FEEDHM
N#Cc1ccnc(S[C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)c1	ZINC000822842560	606311307	/nfs/dbraw/zinc/31/13/07/606311307.db2.gz	OGORULGYJPRSEO-NSHDSACASA-N	-1	3	369.435	2.092	20	30		FEEDHM
N#Cc1ccnc(S[C@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)c1	ZINC000822842560	606311308	/nfs/dbraw/zinc/31/13/08/606311308.db2.gz	OGORULGYJPRSEO-NSHDSACASA-N	-1	3	369.435	2.092	20	30		FEEDHM
C=CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1	ZINC000819733973	606341695	/nfs/dbraw/zinc/34/16/95/606341695.db2.gz	GLLMBQYGRRRCIG-MRVPVSSYSA-N	-1	3	361.349	2.128	20	30		FEEDHM
C=CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1	ZINC000819733973	606341697	/nfs/dbraw/zinc/34/16/97/606341697.db2.gz	GLLMBQYGRRRCIG-MRVPVSSYSA-N	-1	3	361.349	2.128	20	30		FEEDHM
N#Cc1ccc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2OC(F)F)nc1	ZINC000822825721	606559513	/nfs/dbraw/zinc/55/95/13/606559513.db2.gz	MUHUIPYCRQWRQS-UHFFFAOYSA-N	-1	3	372.291	2.092	20	30		FEEDHM
N#Cc1ccc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2OC(F)F)nc1	ZINC000822825721	606559514	/nfs/dbraw/zinc/55/95/14/606559514.db2.gz	MUHUIPYCRQWRQS-UHFFFAOYSA-N	-1	3	372.291	2.092	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2ccc(-n3cccc3)nc2)cc1-c1nnn[n-]1	ZINC000822829990	606604660	/nfs/dbraw/zinc/60/46/60/606604660.db2.gz	SFIYBRZQPDGOMM-UHFFFAOYSA-N	-1	3	356.349	2.176	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2ccc(-n3cccc3)nc2)cc1-c1nn[n-]n1	ZINC000822829990	606604661	/nfs/dbraw/zinc/60/46/61/606604661.db2.gz	SFIYBRZQPDGOMM-UHFFFAOYSA-N	-1	3	356.349	2.176	20	30		FEEDHM
CCN(CC)c1ccnc(N=NC(C)c2ccc(-c3nnn[n-]3)cc2)n1	ZINC000821198419	606820173	/nfs/dbraw/zinc/82/01/73/606820173.db2.gz	UMSSOTMIAKXJAZ-UHFFFAOYSA-N	-1	3	351.418	2.339	20	30		FEEDHM
CCN(CC)c1ccnc(N=NC(C)c2ccc(-c3nn[n-]n3)cc2)n1	ZINC000821198419	606820175	/nfs/dbraw/zinc/82/01/75/606820175.db2.gz	UMSSOTMIAKXJAZ-UHFFFAOYSA-N	-1	3	351.418	2.339	20	30		FEEDHM
N#Cc1cccc(OCCCOC(=O)c2sccc2-c2nnn[n-]2)c1	ZINC000822837406	606948190	/nfs/dbraw/zinc/94/81/90/606948190.db2.gz	NKWQKERJMKHCFO-UHFFFAOYSA-N	-1	3	355.379	2.426	20	30		FEEDHM
C=CCN(CCCS(=O)(=O)C(C)C)Cc1cccc(-c2nnn[n-]2)c1	ZINC000819744063	606965330	/nfs/dbraw/zinc/96/53/30/606965330.db2.gz	UWXRJVQUUKEVHI-UHFFFAOYSA-N	-1	3	363.487	2.068	20	30		FEEDHM
C=CCN(CCCS(=O)(=O)C(C)C)Cc1cccc(-c2nn[n-]n2)c1	ZINC000819744063	606965332	/nfs/dbraw/zinc/96/53/32/606965332.db2.gz	UWXRJVQUUKEVHI-UHFFFAOYSA-N	-1	3	363.487	2.068	20	30		FEEDHM
Cc1ccc(C#N)cc1OS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C	ZINC000822224934	607049880	/nfs/dbraw/zinc/04/98/80/607049880.db2.gz	GIUYTJBYNAYWRM-UHFFFAOYSA-N	-1	3	355.379	2.123	20	30		FEEDHM
Cc1ccc(C#N)cc1OS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C	ZINC000822224934	607049882	/nfs/dbraw/zinc/04/98/82/607049882.db2.gz	GIUYTJBYNAYWRM-UHFFFAOYSA-N	-1	3	355.379	2.123	20	30		FEEDHM
CCCn1nc(C)c(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c1C	ZINC000821147286	607143490	/nfs/dbraw/zinc/14/34/90/607143490.db2.gz	DYTASGDJBDVFJY-UHFFFAOYSA-N	-1	3	350.386	2.214	20	30		FEEDHM
CCCn1nc(C)c(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c1C	ZINC000821147286	607143491	/nfs/dbraw/zinc/14/34/91/607143491.db2.gz	DYTASGDJBDVFJY-UHFFFAOYSA-N	-1	3	350.386	2.214	20	30		FEEDHM
COc1ccc(OCC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1C	ZINC000821841270	607238275	/nfs/dbraw/zinc/23/82/75/607238275.db2.gz	GMZCLOFIPYVRCR-UHFFFAOYSA-N	-1	3	364.365	2.073	20	30		FEEDHM
COc1ccc(OCC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1C	ZINC000821841270	607238276	/nfs/dbraw/zinc/23/82/76/607238276.db2.gz	GMZCLOFIPYVRCR-UHFFFAOYSA-N	-1	3	364.365	2.073	20	30		FEEDHM
Cc1sc(NC(=O)CN(C[C@H](C)C#N)C2CC2)c(-c2nnn[n-]2)c1C	ZINC000826349516	607831991	/nfs/dbraw/zinc/83/19/91/607831991.db2.gz	KMLHPMHXIYMDHN-SECBINFHSA-N	-1	3	359.459	2.108	20	30		FEEDHM
Cc1sc(NC(=O)CN(C[C@H](C)C#N)C2CC2)c(-c2nn[n-]n2)c1C	ZINC000826349516	607831992	/nfs/dbraw/zinc/83/19/92/607831992.db2.gz	KMLHPMHXIYMDHN-SECBINFHSA-N	-1	3	359.459	2.108	20	30		FEEDHM
N#Cc1csc(C(=O)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)c1	ZINC000826387657	608080300	/nfs/dbraw/zinc/08/03/00/608080300.db2.gz	JDBKXJDJIQEGNS-CQSZACIVSA-N	-1	3	366.406	2.014	20	30		FEEDHM
N#Cc1csc(C(=O)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)c1	ZINC000826387657	608080301	/nfs/dbraw/zinc/08/03/01/608080301.db2.gz	JDBKXJDJIQEGNS-CQSZACIVSA-N	-1	3	366.406	2.014	20	30		FEEDHM
C#CCCCCCC(=O)Nc1cc(-c2nnn[n-]2)ccc1OCCOC	ZINC000823841542	608138565	/nfs/dbraw/zinc/13/85/65/608138565.db2.gz	OPNJPDUHEYVFFM-UHFFFAOYSA-N	-1	3	357.414	2.414	20	30		FEEDHM
C#CCCCCCC(=O)Nc1cc(-c2nn[n-]n2)ccc1OCCOC	ZINC000823841542	608138566	/nfs/dbraw/zinc/13/85/66/608138566.db2.gz	OPNJPDUHEYVFFM-UHFFFAOYSA-N	-1	3	357.414	2.414	20	30		FEEDHM
CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)c1cccc(C#N)c1	ZINC000825792770	608176178	/nfs/dbraw/zinc/17/61/78/608176178.db2.gz	CYLBYZAOXKLDLT-UHFFFAOYSA-N	-1	3	358.365	2.360	20	30		FEEDHM
CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)c1cccc(C#N)c1	ZINC000825792770	608176179	/nfs/dbraw/zinc/17/61/79/608176179.db2.gz	CYLBYZAOXKLDLT-UHFFFAOYSA-N	-1	3	358.365	2.360	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1c(C)nn(C)c1C	ZINC000823909404	608270107	/nfs/dbraw/zinc/27/01/07/608270107.db2.gz	BSTKNPDPCQCXDM-UHFFFAOYSA-N	-1	3	366.429	2.437	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1c(C)nn(C)c1C	ZINC000823909404	608270108	/nfs/dbraw/zinc/27/01/08/608270108.db2.gz	BSTKNPDPCQCXDM-UHFFFAOYSA-N	-1	3	366.429	2.437	20	30		FEEDHM
C#CCSCCNC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1	ZINC000823861509	608412610	/nfs/dbraw/zinc/41/26/10/608412610.db2.gz	KZXDXFQSNDLGGV-UHFFFAOYSA-N	-1	3	368.466	2.032	20	30		FEEDHM
C#CCSCCNC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1	ZINC000823861509	608412612	/nfs/dbraw/zinc/41/26/12/608412612.db2.gz	KZXDXFQSNDLGGV-UHFFFAOYSA-N	-1	3	368.466	2.032	20	30		FEEDHM
C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCc1cccc(C#N)c1F	ZINC000824738257	608437991	/nfs/dbraw/zinc/43/79/91/608437991.db2.gz	OAVYGRAIMBPSIF-LLVKDONJSA-N	-1	3	367.340	2.388	20	30		FEEDHM
C=CCNc1ncc(C(=O)OCc2cccc(-c3nnn[n-]3)c2F)s1	ZINC000823924964	608452378	/nfs/dbraw/zinc/45/23/78/608452378.db2.gz	CBRGSOVBOGOXTR-UHFFFAOYSA-N	-1	3	360.374	2.417	20	30		FEEDHM
C=CCNc1ncc(C(=O)OCc2cccc(-c3nn[n-]n3)c2F)s1	ZINC000823924964	608452380	/nfs/dbraw/zinc/45/23/80/608452380.db2.gz	CBRGSOVBOGOXTR-UHFFFAOYSA-N	-1	3	360.374	2.417	20	30		FEEDHM
N#Cc1cccc(C2(NCC(=O)Nc3sccc3-c3nnn[n-]3)CC2)c1	ZINC000826386843	608532558	/nfs/dbraw/zinc/53/25/58/608532558.db2.gz	VBADOXBTHVWNJG-UHFFFAOYSA-N	-1	3	365.422	2.017	20	30		FEEDHM
N#Cc1cccc(C2(NCC(=O)Nc3sccc3-c3nn[n-]n3)CC2)c1	ZINC000826386843	608532559	/nfs/dbraw/zinc/53/25/59/608532559.db2.gz	VBADOXBTHVWNJG-UHFFFAOYSA-N	-1	3	365.422	2.017	20	30		FEEDHM
O=C(C=Cc1cn(-c2ccccc2)nn1)c1ccc(-c2nnn[n-]2)c(F)c1	ZINC000826403682	609134711	/nfs/dbraw/zinc/13/47/11/609134711.db2.gz	ZBKVMYHYINFNNB-VQHVLOKHSA-N	-1	3	361.340	2.483	20	30		FEEDHM
O=C(C=Cc1cn(-c2ccccc2)nn1)c1ccc(-c2nn[n-]n2)c(F)c1	ZINC000826403682	609134712	/nfs/dbraw/zinc/13/47/12/609134712.db2.gz	ZBKVMYHYINFNNB-VQHVLOKHSA-N	-1	3	361.340	2.483	20	30		FEEDHM
Cc1oc(NC(=O)[C@@H](C)N2CCC(C)(C#N)CC2)c(-c2nnn[n-]2)c1C	ZINC000826341773	609144057	/nfs/dbraw/zinc/14/40/57/609144057.db2.gz	PRFWOIDWOKDHJT-LLVKDONJSA-N	-1	3	357.418	2.029	20	30		FEEDHM
CC(=NNC(=S)Nc1ccccn1)c1ccc(-c2nnn[n-]2)c(F)c1	ZINC000823953537	609160262	/nfs/dbraw/zinc/16/02/62/609160262.db2.gz	FPGLSDUTQZMXRV-UHFFFAOYSA-N	-1	3	356.390	2.111	20	30		FEEDHM
CC(=NNC(=S)Nc1ccccn1)c1ccc(-c2nn[n-]n2)c(F)c1	ZINC000823953537	609160263	/nfs/dbraw/zinc/16/02/63/609160263.db2.gz	FPGLSDUTQZMXRV-UHFFFAOYSA-N	-1	3	356.390	2.111	20	30		FEEDHM
N#CCC1(COC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)CC1	ZINC000826381015	609257714	/nfs/dbraw/zinc/25/77/14/609257714.db2.gz	UWIWZFLALAQEDV-OAHLLOKOSA-N	-1	3	352.398	2.073	20	30		FEEDHM
Cc1nnc(SCC(=O)c2ccc(C#N)cc2)c(-c2nnn[n-]2)c1C	ZINC000826336646	609306046	/nfs/dbraw/zinc/30/60/46/609306046.db2.gz	HOMAJWJGIGEUSA-UHFFFAOYSA-N	-1	3	351.395	2.120	20	30		FEEDHM
Cc1nnc(SCC(=O)c2ccc(C#N)cc2)c(-c2nn[n-]n2)c1C	ZINC000826336646	609306049	/nfs/dbraw/zinc/30/60/49/609306049.db2.gz	HOMAJWJGIGEUSA-UHFFFAOYSA-N	-1	3	351.395	2.120	20	30		FEEDHM
O=C1Nc2c(cccc2F)C1=NNc1ccc(-c2nnn[n-]2)c(Cl)c1	ZINC000826483540	609474858	/nfs/dbraw/zinc/47/48/58/609474858.db2.gz	QWSONIBMWRFZTE-UHFFFAOYSA-N	-1	3	357.736	2.428	20	30		FEEDHM
O=C1Nc2c(cccc2F)C1=NNc1ccc(-c2nn[n-]n2)c(Cl)c1	ZINC000826483540	609474860	/nfs/dbraw/zinc/47/48/60/609474860.db2.gz	QWSONIBMWRFZTE-UHFFFAOYSA-N	-1	3	357.736	2.428	20	30		FEEDHM
Cc1c(Cl)cnc(NCCNc2ccc(C#N)cn2)c1-c1nnn[n-]1	ZINC000826240548	609531143	/nfs/dbraw/zinc/53/11/43/609531143.db2.gz	ZHXRKCDEAIYEIW-UHFFFAOYSA-N	-1	3	355.793	2.014	20	30		FEEDHM
Cc1c(Cl)cnc(NCCNc2ccc(C#N)cn2)c1-c1nn[n-]n1	ZINC000826240548	609531144	/nfs/dbraw/zinc/53/11/44/609531144.db2.gz	ZHXRKCDEAIYEIW-UHFFFAOYSA-N	-1	3	355.793	2.014	20	30		FEEDHM
O=C(Nc1ccccc1C(=O)N[C@@H]1CCCN([O-])C1=O)c1cccs1	ZINC000816758170	675078128	/nfs/dbraw/zinc/07/81/28/675078128.db2.gz	JNGOUYSKNUHDRX-CYBMUJFWSA-N	-1	3	359.407	2.110	20	30		FEEDHM
O=C(CCc1ncc(-c2ccccc2Cl)o1)N[C@H]1CCCN([O-])C1=O	ZINC000816759941	675078446	/nfs/dbraw/zinc/07/84/46/675078446.db2.gz	YDKHYTSKCXNWSD-ZDUSSCGKSA-N	-1	3	363.801	2.424	20	30		FEEDHM
CCN(C[C@H](C)C#N)C(=O)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F	ZINC000105595751	670803882	/nfs/dbraw/zinc/80/38/82/670803882.db2.gz	XDEIUUBUYCSWSN-SNVBAGLBSA-N	-1	3	371.409	2.027	20	30		FEEDHM
Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)nc2)c(Br)n1	ZINC000135239706	672131511	/nfs/dbraw/zinc/13/15/11/672131511.db2.gz	WMUWUMITAHRDIJ-UHFFFAOYSA-N	-1	3	353.201	2.220	20	30		FEEDHM
N#CCOc1ccc(C[N-]S(=O)(=O)c2cc(F)c(F)cc2F)cc1	ZINC000170940523	672327300	/nfs/dbraw/zinc/32/73/00/672327300.db2.gz	XLMIRNHFJZMZMJ-UHFFFAOYSA-N	-1	3	356.325	2.485	20	30		FEEDHM
COC(=O)c1ccc(F)c(S(=O)(=O)[N-]Cc2cc(C#N)ccc2F)c1	ZINC000173739928	672354284	/nfs/dbraw/zinc/35/42/84/672354284.db2.gz	YBUBTCSESNBHNE-UHFFFAOYSA-N	-1	3	366.345	2.102	20	30		FEEDHM
COc1ccc2c(c1)OCC[C@@H]2[N-]S(=O)(=O)c1ccsc1C#N	ZINC000593553944	672941316	/nfs/dbraw/zinc/94/13/16/672941316.db2.gz	VBYWHTFMDPHYJV-LBPRGKRZSA-N	-1	3	350.421	2.430	20	30		FEEDHM
O=C(NCc1nc(C(F)(F)F)n[n-]1)N1CC2(CCC2)[C@@H]1[C@H]1CCCO1	ZINC000329678181	673081587	/nfs/dbraw/zinc/08/15/87/673081587.db2.gz	VMGNQMOFHYTUDP-KOLCDFICSA-N	-1	3	359.352	2.271	20	30		FEEDHM
O=C(NCc1nc(C(F)(F)F)n[n-]1)N1CCO[C@H](c2ccsc2)C1	ZINC000330158935	673086242	/nfs/dbraw/zinc/08/62/42/673086242.db2.gz	QKWTYFXHUIGUGB-VIFPVBQESA-N	-1	3	361.349	2.373	20	30		FEEDHM
O=C1Nc2cc([O-])ccc2C1=NNc1ccc(S(=O)(=O)C(F)F)cc1	ZINC000726424645	673121590	/nfs/dbraw/zinc/12/15/90/673121590.db2.gz	BLGVQHDGZPSILH-UHFFFAOYSA-N	-1	3	367.333	2.157	20	30		FEEDHM
C[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)c2ncnn21	ZINC000594810578	673150452	/nfs/dbraw/zinc/15/04/52/673150452.db2.gz	VOBIGHAOWVNHHH-GZMMTYOYSA-N	-1	3	371.344	2.153	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-]C[C@H](OC1CCCC1)C(F)(F)F	ZINC000594820037	673152442	/nfs/dbraw/zinc/15/24/42/673152442.db2.gz	YTKZYDJPNHGZLM-ZDUSSCGKSA-N	-1	3	363.361	2.122	20	30		FEEDHM
N#Cc1ccc(SCC(=O)OCC(=O)[N-]C(=O)c2cccs2)cc1	ZINC000728680673	673209216	/nfs/dbraw/zinc/20/92/16/673209216.db2.gz	WGUCDGXNSZGWJH-UHFFFAOYSA-N	-1	3	360.416	2.212	20	30		FEEDHM
CCn1cc(C=Nn2c(=S)[n-]nc2[C@H]2COc3ccccc3O2)cn1	ZINC000732527944	673371037	/nfs/dbraw/zinc/37/10/37/673371037.db2.gz	OONPHBATKFXCIV-CQSZACIVSA-N	-1	3	356.411	2.178	20	30		FEEDHM
CSc1ccc([O-])c(C(=O)N2CCN(c3cccc(C#N)n3)CC2)c1	ZINC000597507425	673483000	/nfs/dbraw/zinc/48/30/00/673483000.db2.gz	MWXNORKALJPNPD-UHFFFAOYSA-N	-1	3	354.435	2.343	20	30		FEEDHM
CC(C)C(C)(C)NC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000742629419	673732877	/nfs/dbraw/zinc/73/28/77/673732877.db2.gz	CPQBEJICMBVETL-GFCCVEGCSA-N	-1	3	351.472	2.055	20	30		FEEDHM
CC(=N[N-]S(=O)(=O)CCc1ccccc1)c1ccc2c(c1)OCCO2	ZINC000743448347	673760199	/nfs/dbraw/zinc/76/01/99/673760199.db2.gz	KVSRKDGYPNAITL-UHFFFAOYSA-N	-1	3	360.435	2.344	20	30		FEEDHM
C[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1cccc(C#N)c1	ZINC000743811768	673773054	/nfs/dbraw/zinc/77/30/54/673773054.db2.gz	DCIDSSQNDMGHCH-NSHDSACASA-N	-1	3	359.407	2.126	20	30		FEEDHM
CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N(C)CCC	ZINC000745974768	673859952	/nfs/dbraw/zinc/85/99/52/673859952.db2.gz	LBFMCTNSWCQQJI-AWEZNQCLSA-N	-1	3	351.472	2.152	20	30		FEEDHM
CCOC(=O)[C@H]([N-]S(=O)(=O)Cc1ccc(CC#N)cc1)[C@@H](C)CC	ZINC000567781517	675322067	/nfs/dbraw/zinc/32/20/67/675322067.db2.gz	HNVUXLIUXUFPSD-XJKSGUPXSA-N	-1	3	352.456	2.150	20	30		FEEDHM
CCOC(=O)[C@@H]([N-]S(=O)(=O)Cc1ccc(CC#N)cc1)[C@@H](C)CC	ZINC000567781514	675322245	/nfs/dbraw/zinc/32/22/45/675322245.db2.gz	HNVUXLIUXUFPSD-BBRMVZONSA-N	-1	3	352.456	2.150	20	30		FEEDHM
CCSc1ccc(CC(=O)N[C@@H]2CCN([O-])C2=O)c(Br)c1	ZINC000820126398	675337834	/nfs/dbraw/zinc/33/78/34/675337834.db2.gz	AYKXZEOKMAPERP-GFCCVEGCSA-N	-1	3	373.272	2.210	20	30		FEEDHM
O=C(N[C@@H]1CCN([O-])C1=O)c1ncoc1-c1cccc(C(F)(F)F)c1	ZINC000820149591	675339839	/nfs/dbraw/zinc/33/98/39/675339839.db2.gz	QBCHRIVOJTVJTO-SNVBAGLBSA-N	-1	3	355.272	2.080	20	30		FEEDHM
CC(C)(C)[C@](C)(C#N)NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1	ZINC000824070764	675582841	/nfs/dbraw/zinc/58/28/41/675582841.db2.gz	BTHUNYJIMKTZQR-AWEZNQCLSA-N	-1	3	368.850	2.127	20	30		FEEDHM
CC(C)(C)[C@](C)(C#N)NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1	ZINC000824070764	675582843	/nfs/dbraw/zinc/58/28/43/675582843.db2.gz	BTHUNYJIMKTZQR-AWEZNQCLSA-N	-1	3	368.850	2.127	20	30		FEEDHM
C=CCN(Cc1ccc(Br)cc1[O-])[C@H]1CCS(=O)(=O)C1	ZINC000824606713	675613291	/nfs/dbraw/zinc/61/32/91/675613291.db2.gz	WGBLXLWPSVNRGB-ZDUSSCGKSA-N	-1	3	360.273	2.330	20	30		FEEDHM
Cc1nc(C)c(CC(=O)NCCSCc2ccccc2C#N)c(=O)[n-]1	ZINC000603633940	675800492	/nfs/dbraw/zinc/80/04/92/675800492.db2.gz	QPMGAJPZDUQXLK-UHFFFAOYSA-N	-1	3	356.451	2.263	20	30		FEEDHM
COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCc3cc(C#N)ccc32)s1	ZINC000618716756	676350841	/nfs/dbraw/zinc/35/08/41/676350841.db2.gz	NGVINGXPZPXTBN-ZDUSSCGKSA-N	-1	3	362.432	2.372	20	30		FEEDHM
CCOC(=O)[C@H]1CCC(=N[N-]S(=O)(=O)Cc2ccccc2)[C@H](C)C1	ZINC000761261710	680717247	/nfs/dbraw/zinc/71/72/47/680717247.db2.gz	PFIUZXHWETURBS-HIFRSBDPSA-N	-1	3	352.456	2.461	20	30		FEEDHM
C=CCC1([N-]S(=O)(=O)c2ccc(Br)cn2)CCOCC1	ZINC000657128515	677955806	/nfs/dbraw/zinc/95/58/06/677955806.db2.gz	ZAZZGIDSCNBZSV-UHFFFAOYSA-N	-1	3	361.261	2.248	20	30		FEEDHM
CC(C)(C)[C@@H]1CCC[C@H]1NC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000839890143	680786075	/nfs/dbraw/zinc/78/60/75/680786075.db2.gz	INMTVZBHSVXILF-ZIAGYGMSSA-N	-1	3	363.483	2.056	20	30		FEEDHM
COC[C@@H](C)NC(=S)NN=C(C)c1ccc(Br)cc1[O-]	ZINC000756823853	680499884	/nfs/dbraw/zinc/49/98/84/680499884.db2.gz	PWCTWYJGHKMVFL-MRVPVSSYSA-N	-1	3	360.277	2.378	20	30		FEEDHM
C=C(CC)CNC(=O)[C@H](CC(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000837101399	680552846	/nfs/dbraw/zinc/55/28/46/680552846.db2.gz	VZXADLRUYHTUIO-HNNXBMFYSA-N	-1	3	363.483	2.222	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)OCC2CC(F)(F)C2)ccc1F	ZINC000837415272	680599525	/nfs/dbraw/zinc/59/95/25/680599525.db2.gz	OXEVREXCCUJSFG-UHFFFAOYSA-N	-1	3	363.357	2.492	20	30		FEEDHM
Cc1ncc(CO)c(/C=N/CCOc2ccc(C(F)(F)F)cn2)c1[O-]	ZINC000760212918	680679959	/nfs/dbraw/zinc/67/99/59/680679959.db2.gz	VEXUZVIZAUWYBX-DNTJNYDQSA-N	-1	3	355.316	2.500	20	30		FEEDHM
C#C[C@@H](C)N(C)C(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1	ZINC000769655813	680990467	/nfs/dbraw/zinc/99/04/67/680990467.db2.gz	JYMYDXNPBAZQBZ-GFCCVEGCSA-N	-1	3	357.435	2.432	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@]3(CC3(F)F)C2)ccc1F	ZINC000845017250	681098881	/nfs/dbraw/zinc/09/88/81/681098881.db2.gz	SWMBRHKKZKCFAY-HNNXBMFYSA-N	-1	3	374.384	2.161	20	30		FEEDHM
CC(=NNCC(C)(C)S(C)(=O)=O)c1cc(Br)ccc1[O-]	ZINC000774494361	681195176	/nfs/dbraw/zinc/19/51/76/681195176.db2.gz	BPOSFSHNSPFHGY-UHFFFAOYSA-N	-1	3	363.277	2.292	20	30		FEEDHM
C=C[C@H](C)O[N-]C(=O)CC[C@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O	ZINC000846544288	681258199	/nfs/dbraw/zinc/25/81/99/681258199.db2.gz	GGDWJAQTRMBKGC-GXFFZTMASA-N	-1	3	351.790	2.167	20	30		FEEDHM
N#Cc1cc([O-])cc(C(=O)OCC(=O)Nc2cccc3nsnc32)c1	ZINC000776279460	681378722	/nfs/dbraw/zinc/37/87/22/681378722.db2.gz	KTOYQGVBJZGAMF-UHFFFAOYSA-N	-1	3	354.347	2.064	20	30		FEEDHM
C#CCCC[C@H](C)OC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000847863514	681443530	/nfs/dbraw/zinc/44/35/30/681443530.db2.gz	INDRFQKXSSRARP-KBPBESRZSA-N	-1	3	362.451	2.239	20	30		FEEDHM
CC(C)Oc1cc(C(=O)N[C@@H]2CCCN([O-])C2=O)ccc1Br	ZINC000848130917	681477555	/nfs/dbraw/zinc/47/75/55/681477555.db2.gz	VIBMLUYYYQOINF-GFCCVEGCSA-N	-1	3	371.231	2.346	20	30		FEEDHM
Fc1ccc(C=Nn2c(=S)[n-]nc2[C@H]2COc3ccccc3O2)cn1	ZINC000777423011	681492661	/nfs/dbraw/zinc/49/26/61/681492661.db2.gz	LWNGDLSOBNXJRX-CYBMUJFWSA-N	-1	3	357.370	2.496	20	30		FEEDHM
CC(C)(C#N)CS(=O)(=O)[N-][C@H]1CCCN(c2ccccc2Cl)C1=O	ZINC000914182454	685497746	/nfs/dbraw/zinc/49/77/46/685497746.db2.gz	SGRRUUXUIXMDLV-ZDUSSCGKSA-N	-1	3	369.874	2.305	20	30		FEEDHM
C[C@@H]1CCN(CCOc2ccc(C#N)cc2)C[C@@H]1[N-]C(=O)C(F)(F)F	ZINC000852759772	682338084	/nfs/dbraw/zinc/33/80/84/682338084.db2.gz	UPPAWIZPIACKHR-DOMZBBRYSA-N	-1	3	355.360	2.326	20	30		FEEDHM
C=C[C@@H]1CCCCN1C(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000787680851	682472693	/nfs/dbraw/zinc/47/26/93/682472693.db2.gz	LCRUZMISNSNEHO-UONOGXRCSA-N	-1	3	361.467	2.071	20	30		FEEDHM
[O-]c1ccc(F)c(C=NNC(=S)NCc2ccc3c(c2)OCO3)c1F	ZINC000794474871	682971704	/nfs/dbraw/zinc/97/17/04/682971704.db2.gz	UZNWEVIZIGYLNI-UHFFFAOYSA-N	-1	3	365.361	2.397	20	30		FEEDHM
CCCCCCCNS(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1	ZINC000859247373	683064331	/nfs/dbraw/zinc/06/43/31/683064331.db2.gz	UTNAHYFXICKFMF-UHFFFAOYSA-N	-1	3	366.480	2.446	20	30		FEEDHM
C#CC[C@@H](COC)[N-]S(=O)(=O)c1cc(C)c(Br)cc1F	ZINC000859430230	683108858	/nfs/dbraw/zinc/10/88/58/683108858.db2.gz	PHVYRBWTDSGQQF-JTQLQIEISA-N	-1	3	364.236	2.213	20	30		FEEDHM
C#CCSCC[N-]S(=O)(=O)c1cccc(Br)c1F	ZINC000798439928	683347979	/nfs/dbraw/zinc/34/79/79/683347979.db2.gz	FWAWJPKMOOEDKH-UHFFFAOYSA-N	-1	3	352.250	2.233	20	30		FEEDHM
CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OCC(C)(F)F	ZINC000861227522	683372784	/nfs/dbraw/zinc/37/27/84/683372784.db2.gz	ZNAQSEDWQDBDIE-LBPRGKRZSA-N	-1	3	374.409	2.338	20	30		FEEDHM
C=CCCC[C@H]([N-]S(=O)(=O)c1cnccc1C(F)(F)F)C(=O)OC	ZINC000921384947	683448552	/nfs/dbraw/zinc/44/85/52/683448552.db2.gz	ZRDPUDOZGILCLK-NSHDSACASA-N	-1	3	366.361	2.277	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H](CC=C)C2)ccc1F	ZINC000862542360	683599619	/nfs/dbraw/zinc/59/96/19/683599619.db2.gz	NAVATLBHYLPPJD-ZDUSSCGKSA-N	-1	3	352.431	2.328	20	30		FEEDHM
COC(=O)[C@@](C)(Cc1ccc(Cl)cc1)[N-]S(=O)(=O)CCCC#N	ZINC000867679220	684349574	/nfs/dbraw/zinc/34/95/74/684349574.db2.gz	STWMLTTXXYTHAC-OAHLLOKOSA-N	-1	3	358.847	2.037	20	30		FEEDHM
O=C(Nc1ccc(N2CCCCC2)c(F)c1)N[C@@H]1CCCN([O-])C1=O	ZINC000881188096	687116499	/nfs/dbraw/zinc/11/64/99/687116499.db2.gz	WGXHQFMHRCDTIL-CQSZACIVSA-N	-1	3	350.394	2.318	20	30		FEEDHM
C=C(C)C[C@@H]([N-]S(=O)(=O)Cc1ccc(CC#N)cc1)C(=O)OCC	ZINC000882645229	687425960	/nfs/dbraw/zinc/42/59/60/687425960.db2.gz	MMZKUNIHNNRFRF-MRXNPFEDSA-N	-1	3	350.440	2.070	20	30		FEEDHM
C#CCC1([N-]S(=O)(=O)c2ccc(Br)s2)CCOCC1	ZINC000885836999	688165481	/nfs/dbraw/zinc/16/54/81/688165481.db2.gz	MBVJUPPKOVNSJY-UHFFFAOYSA-N	-1	3	364.286	2.361	20	30		FEEDHM
COCC[C@@](C)(C#N)[N-]S(=O)(=O)c1ccc(Br)cc1F	ZINC000903123392	690847463	/nfs/dbraw/zinc/84/74/63/690847463.db2.gz	LRHHHRROOZAITE-LBPRGKRZSA-N	-1	3	365.224	2.185	20	30		FEEDHM
COc1cc(CN(C)C)ccc1[N-]S(=O)(=O)c1cnc(C)c(C#N)c1	ZINC000903149082	690856108	/nfs/dbraw/zinc/85/61/08/690856108.db2.gz	OHBDLJUVEJKQEN-UHFFFAOYSA-N	-1	3	360.439	2.133	20	30		FEEDHM
COC(=O)C1CC2(C1)CN(Cc1cc(Cl)cc(C#N)c1)C[C@@H]2C(=O)[O-]	ZINC000903414644	690891257	/nfs/dbraw/zinc/89/12/57/690891257.db2.gz	GTPSCBWBVZPMBS-NSWWBONSSA-N	-1	3	362.813	2.297	20	30		FEEDHM
CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)N([O-])Cc1ccc(F)cc1	ZINC000904172685	691009780	/nfs/dbraw/zinc/00/97/80/691009780.db2.gz	AMXUBISAAURNOX-CQSZACIVSA-N	-1	3	356.394	2.473	20	30		FEEDHM
C[C@@]1(CCCC(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)NC(=O)NC1=O	ZINC000904181003	691010697	/nfs/dbraw/zinc/01/06/97/691010697.db2.gz	QKWXCIYJODJIRC-HNNXBMFYSA-N	-1	3	374.224	2.480	20	30		FEEDHM
O=C(CCN1C(=O)NC2(CCCC2)C1=O)N([O-])Cc1ccccc1Cl	ZINC000904187920	691011048	/nfs/dbraw/zinc/01/10/48/691011048.db2.gz	WZEUCFNGUDNCRB-UHFFFAOYSA-N	-1	3	365.817	2.313	20	30		FEEDHM
O=C([C@@H]1CCC(F)(F)C1)N([O-])CCCN1C(=O)c2ccccc2C1=O	ZINC000904186257	691011126	/nfs/dbraw/zinc/01/11/26/691011126.db2.gz	TWVJYXUPZZSCEN-LLVKDONJSA-N	-1	3	352.337	2.326	20	30		FEEDHM
CCCCCCN([O-])C(=O)Cc1csc([C@@H]2CCS(=O)(=O)C2)n1	ZINC000904207239	691013344	/nfs/dbraw/zinc/01/33/44/691013344.db2.gz	WOGQZEHCHAGMJS-GFCCVEGCSA-N	-1	3	360.501	2.386	20	30		FEEDHM
C=C(C)CN1CCC(NC(=O)N[C@@H](C(=O)[O-])c2cc(F)ccc2F)CC1	ZINC000908945178	939360470	/nfs/dbraw/zinc/36/04/70/939360470.db2.gz	BQAALMNAKQBFAB-MRXNPFEDSA-N	-1	3	367.396	2.430	20	30		FEEDHM
Cc1ncc(CO)c(/C=N/C[C@H](c2ccc(F)cc2)N2CCOCC2)c1[O-]	ZINC000005110827	539402808	/nfs/dbraw/zinc/40/28/08/539402808.db2.gz	AHTWQUPCZNEOOR-AZHVYHFMSA-N	-1	3	373.428	2.219	20	30		FEEDHM
C=CCNC(=O)[C@H](C)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1	ZINC000053019792	540505967	/nfs/dbraw/zinc/50/59/67/540505967.db2.gz	GWGYCWUQIHKUKS-LBPRGKRZSA-N	-1	3	365.861	2.387	20	30		FEEDHM
C#CCN1CCC(C(=O)Nc2cccc(-c3nc(C)cc(=O)[n-]3)c2)CC1	ZINC000057172567	540776119	/nfs/dbraw/zinc/77/61/19/540776119.db2.gz	ITMJQTNBYNIGLJ-UHFFFAOYSA-N	-1	3	350.422	2.029	20	30		FEEDHM
CC(=O)N(C)c1ccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1	ZINC000109334938	209303534	/nfs/dbraw/zinc/30/35/34/209303534.db2.gz	GSTKDJQTDLIEGV-UHFFFAOYSA-N	-1	3	366.421	2.417	20	30		FEEDHM
COC(=O)c1sccc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C	ZINC000068248578	541567819	/nfs/dbraw/zinc/56/78/19/541567819.db2.gz	FVSFLINNKGYSSZ-UHFFFAOYSA-N	-1	3	359.407	2.283	20	30		FEEDHM
Cc1nc(C)c(CC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)c(=O)[n-]1	ZINC000075298854	542167429	/nfs/dbraw/zinc/16/74/29/542167429.db2.gz	OQCMCJUDBNBBOS-ROUUACIJSA-N	-1	3	350.422	2.228	20	30		FEEDHM
Cc1cc([N-]C(=O)[C@@H](C)N2CCN([C@@H](C#N)c3ccccc3)CC2)on1	ZINC000078454285	542462153	/nfs/dbraw/zinc/46/21/53/542462153.db2.gz	YEJJJLQQSAYABE-WBVHZDCISA-N	-1	3	353.426	2.193	20	30		FEEDHM
N#CCSc1cccc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)c1	ZINC000079892843	542548446	/nfs/dbraw/zinc/54/84/46/542548446.db2.gz	XKJVKHZQICJERT-UHFFFAOYSA-N	-1	3	350.407	2.412	20	30		FEEDHM
N#CCSc1cccc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)c1	ZINC000079892843	542548448	/nfs/dbraw/zinc/54/84/48/542548448.db2.gz	XKJVKHZQICJERT-UHFFFAOYSA-N	-1	3	350.407	2.412	20	30		FEEDHM
N#Cc1ccc(OC2CCC([N-]S(=O)(=O)c3ccccn3)CC2)nc1	ZINC000092269707	542853141	/nfs/dbraw/zinc/85/31/41/542853141.db2.gz	QZLINAPTVCCSMA-UHFFFAOYSA-N	-1	3	358.423	2.017	20	30		FEEDHM
CCCC(C#N)(CCC)[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O	ZINC000092353373	542859016	/nfs/dbraw/zinc/85/90/16/542859016.db2.gz	YDAHVPYUJFRZPH-UHFFFAOYSA-N	-1	3	358.485	2.231	20	30		FEEDHM
COCCCOc1ccc(C([O-])=C(C#N)c2nnc3n2CCCCC3)cn1	ZINC000102122662	543060808	/nfs/dbraw/zinc/06/08/08/543060808.db2.gz	JNGUFGDPAGUGGP-HNNXBMFYSA-N	-1	3	369.425	2.305	20	30		FEEDHM
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc2c(c1)C(=O)[N-]C2=O	ZINC000104871514	543148274	/nfs/dbraw/zinc/14/82/74/543148274.db2.gz	BEHHBQADLVBCPP-UHFFFAOYSA-N	-1	3	365.345	2.307	20	30		FEEDHM
C[C@H](CC(=O)OCC1CC(C)(C)C1)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000802294707	674176233	/nfs/dbraw/zinc/17/62/33/674176233.db2.gz	ZMOUPEIRMWUPAO-GFCCVEGCSA-N	-1	3	364.467	2.483	20	30		FEEDHM
CSc1[n-]c(=O)c(C(=O)N2CCN(C3CCC(C)CC3)CC2)cc1C#N	ZINC000115723879	543583403	/nfs/dbraw/zinc/58/34/03/543583403.db2.gz	ZQPCNBIMSHEWSU-UHFFFAOYSA-N	-1	3	374.510	2.305	20	30		FEEDHM
C[C@H](C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)CN1CCCCC1	ZINC000124328464	543814257	/nfs/dbraw/zinc/81/42/57/543814257.db2.gz	TZUBGGNJAYIDJA-GFCCVEGCSA-N	-1	3	357.426	2.237	20	30		FEEDHM
Cc1cnc(CCN(C)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)s1	ZINC000124366034	543816263	/nfs/dbraw/zinc/81/62/63/543816263.db2.gz	YQRNXHLKABCRCX-UHFFFAOYSA-N	-1	3	358.467	2.262	20	30		FEEDHM
C[C@@H]1CCCCN1CCC[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000124069246	543799555	/nfs/dbraw/zinc/79/95/55/543799555.db2.gz	OVLGSENKYGSSOP-GFCCVEGCSA-N	-1	3	357.426	2.379	20	30		FEEDHM
CCOC(=O)[C@@H](C)C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000124844066	543846876	/nfs/dbraw/zinc/84/68/76/543846876.db2.gz	WNZBYWFIPYVTHA-VIFPVBQESA-N	-1	3	364.345	2.055	20	30		FEEDHM
CCN(CCc1nccs1)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C	ZINC000131601426	544197732	/nfs/dbraw/zinc/19/77/32/544197732.db2.gz	UUNNAVGJQIAJFX-UHFFFAOYSA-N	-1	3	358.467	2.344	20	30		FEEDHM
CC(C)NC(=O)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2F)C1	ZINC000151200035	544516250	/nfs/dbraw/zinc/51/62/50/544516250.db2.gz	NUYSTQATFKXABM-UONOGXRCSA-N	-1	3	367.446	2.059	20	30		FEEDHM
COc1cc(S(=O)(=O)[N-][C@H](C)CC#N)c(OC)cc1Br	ZINC000153867120	544833199	/nfs/dbraw/zinc/83/31/99/544833199.db2.gz	SGDKJTFIYLSFGA-MRVPVSSYSA-N	-1	3	363.233	2.047	20	30		FEEDHM
N#CCCN(CCN1CCOCC1)Cc1cc(Br)ccc1[O-]	ZINC000154750131	544945139	/nfs/dbraw/zinc/94/51/39/544945139.db2.gz	OTUMPFAFDBONSA-UHFFFAOYSA-N	-1	3	368.275	2.203	20	30		FEEDHM
N#Cc1ccc(F)c(CS(=O)(=O)[N-]Cc2nccc(C(F)F)n2)c1	ZINC000553575874	674272465	/nfs/dbraw/zinc/27/24/65/674272465.db2.gz	OZCHIUQOVGQENI-UHFFFAOYSA-N	-1	3	356.329	2.045	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]C[C@@H](O)Cc2ccccc2)c(Cl)c1	ZINC000183696655	327831114	/nfs/dbraw/zinc/83/11/14/327831114.db2.gz	DQUQBWFLHQRFLO-AWEZNQCLSA-N	-1	3	350.827	2.094	20	30		FEEDHM
CCOC(=O)[C@@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)[C@H](C)CC	ZINC000184983248	327893216	/nfs/dbraw/zinc/89/32/16/327893216.db2.gz	QCGOKJSLYVPBGH-YGRLFVJLSA-N	-1	3	358.847	2.468	20	30		FEEDHM
COC(=O)c1scc(C)c1S(=O)(=O)[N-]Cc1cccc(C#N)c1	ZINC000189667692	328161032	/nfs/dbraw/zinc/16/10/32/328161032.db2.gz	VLPDYNLZVBRUEL-UHFFFAOYSA-N	-1	3	350.421	2.193	20	30		FEEDHM
CN1CCN(Cc2cccc(NC(=O)c3ccc(C#N)c([O-])c3)c2)CC1	ZINC000190996948	328244590	/nfs/dbraw/zinc/24/45/90/328244590.db2.gz	HYOASEBMSZSYPR-UHFFFAOYSA-N	-1	3	350.422	2.264	20	30		FEEDHM
CCc1ccc(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c([O-])c1	ZINC000191066852	328248350	/nfs/dbraw/zinc/24/83/50/328248350.db2.gz	YCHMPQWIARNMKI-GOSISDBHSA-N	-1	3	363.417	2.357	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)c1ccc2c(c1)OCO2	ZINC000014484017	324378757	/nfs/dbraw/zinc/37/87/57/324378757.db2.gz	ZGJVWDGZOBTPCK-LBPRGKRZSA-N	-1	3	367.405	2.402	20	30		FEEDHM
N#Cc1cnc2ccccc2c1N1CCN(C(=O)c2ccc(O)cc2[O-])CC1	ZINC000195310173	328470449	/nfs/dbraw/zinc/47/04/49/328470449.db2.gz	JTPNRLNSEJPKTJ-UHFFFAOYSA-N	-1	3	374.400	2.480	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H]1CCOc2ccccc21	ZINC000108744246	325649714	/nfs/dbraw/zinc/64/97/14/325649714.db2.gz	HBEXUHVRDHZRAT-OAHLLOKOSA-N	-1	3	365.433	2.479	20	30		FEEDHM
CC(C)(C)OC(=O)C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000115588349	325968345	/nfs/dbraw/zinc/96/83/45/325968345.db2.gz	WXNNNTZFASCHHY-UHFFFAOYSA-N	-1	3	364.345	2.197	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)CNc1ccccc1	ZINC000119928835	326213328	/nfs/dbraw/zinc/21/33/28/326213328.db2.gz	ZPYUDZPYVQFZPR-CYBMUJFWSA-N	-1	3	352.438	2.413	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H](O)c1ccc(Cl)cc1	ZINC000121329354	326330292	/nfs/dbraw/zinc/33/02/92/326330292.db2.gz	LTDLSTSVQNNXRT-KRWDZBQOSA-N	-1	3	373.840	2.299	20	30		FEEDHM
N#Cc1cc(F)c(C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)c(F)c1	ZINC000125209394	326467348	/nfs/dbraw/zinc/46/73/48/326467348.db2.gz	KBXJOFKMWGNHDW-UHFFFAOYSA-N	-1	3	371.343	2.140	20	30		FEEDHM
COc1ccc(C#N)cc1CN1CCN(C(=O)c2ccccc2[O-])CC1	ZINC000125273931	326468619	/nfs/dbraw/zinc/46/86/19/326468619.db2.gz	XLSWFYOZIIOXCW-UHFFFAOYSA-N	-1	3	351.406	2.230	20	30		FEEDHM
CC(C)[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)c1nnc2ccccn21	ZINC000126080478	326482851	/nfs/dbraw/zinc/48/28/51/326482851.db2.gz	GXZHJKLKXORICD-MRXNPFEDSA-N	-1	3	373.413	2.416	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)c1cn(-c2ccccc2)nn1	ZINC000129639877	326544084	/nfs/dbraw/zinc/54/40/84/326544084.db2.gz	SGDPRYCEUJSAMP-GFCCVEGCSA-N	-1	3	371.397	2.318	20	30		FEEDHM
CS(=O)(=O)Cc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2F)cc1	ZINC000135367793	326640076	/nfs/dbraw/zinc/64/00/76/326640076.db2.gz	JGIODCIJHFSZNU-UHFFFAOYSA-N	-1	3	368.411	2.043	20	30		FEEDHM
COc1ccc(C[N-]S(=O)(=O)c2ccc(F)cc2C#N)c(OC)c1	ZINC000156637750	326838799	/nfs/dbraw/zinc/83/87/99/326838799.db2.gz	PJMOFSHDNAHWNK-UHFFFAOYSA-N	-1	3	350.371	2.193	20	30		FEEDHM
Cn1cc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc(Cl)c1=O	ZINC000160258670	326959219	/nfs/dbraw/zinc/95/92/19/326959219.db2.gz	HIUQMPSUCQCOOF-UHFFFAOYSA-N	-1	3	358.206	2.365	20	30		FEEDHM
CCN(C(=O)CCn1[n-]c(=O)c2ccccc2c1=O)c1ccc(C#N)cc1	ZINC000174075412	327304701	/nfs/dbraw/zinc/30/47/01/327304701.db2.gz	XDSXMYWYTHGXGZ-UHFFFAOYSA-N	-1	3	362.389	2.005	20	30		FEEDHM
N#Cc1ccccc1OCCN1CCN(C(=O)c2ccccc2[O-])CC1	ZINC000174610921	327338378	/nfs/dbraw/zinc/33/83/78/327338378.db2.gz	ZUJLHUGSDPHTTD-UHFFFAOYSA-N	-1	3	351.406	2.101	20	30		FEEDHM
Cc1ccc2[nH]c(CNC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)nc2c1	ZINC000174905313	327360180	/nfs/dbraw/zinc/36/01/80/327360180.db2.gz	ZMCVUCXXPLJIRP-UHFFFAOYSA-N	-1	3	363.421	2.297	20	30		FEEDHM
Cc1ccc2nc(CNC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)[nH]c2c1	ZINC000174905313	327360181	/nfs/dbraw/zinc/36/01/81/327360181.db2.gz	ZMCVUCXXPLJIRP-UHFFFAOYSA-N	-1	3	363.421	2.297	20	30		FEEDHM
N#Cc1c(Cl)cccc1S(=O)(=O)[N-]Cc1ccc2c(c1)OCO2	ZINC000155959436	545587124	/nfs/dbraw/zinc/58/71/24/545587124.db2.gz	GGLWMRUXPCRAEM-UHFFFAOYSA-N	-1	3	350.783	2.419	20	30		FEEDHM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]CCCOC1CCCCC1	ZINC000156236095	545610483	/nfs/dbraw/zinc/61/04/83/545610483.db2.gz	MPESABHMYOBUGW-UHFFFAOYSA-N	-1	3	367.427	2.484	20	30		FEEDHM
C[C@@H](C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)N(C)c1ccccc1	ZINC000156762127	545656688	/nfs/dbraw/zinc/65/66/88/545656688.db2.gz	DXMIABBNGDANFR-ZDUSSCGKSA-N	-1	3	374.422	2.270	20	30		FEEDHM
Cc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)c[nH]c1=O	ZINC000158263051	545841099	/nfs/dbraw/zinc/84/10/99/545841099.db2.gz	IMBJYMCFPXUINY-UHFFFAOYSA-N	-1	3	357.313	2.375	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H]([C@@H]1CCCO1)C(F)(F)F	ZINC000158901330	545903334	/nfs/dbraw/zinc/90/33/34/545903334.db2.gz	BFXWGQDGBJOKNE-DZGCQCFKSA-N	-1	3	372.343	2.449	20	30		FEEDHM
C=C(CNC(=O)Nc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1)c1ccccc1	ZINC000478411806	561166223	/nfs/dbraw/zinc/16/62/23/561166223.db2.gz	GDJXHLPAQQQZPO-KRWDZBQOSA-N	-1	3	364.405	2.272	20	30		FEEDHM
O=C(C#Cc1ccccc1)N1CCC([N-]S(=O)(=O)c2cccs2)CC1	ZINC000174955431	546304920	/nfs/dbraw/zinc/30/49/20/546304920.db2.gz	BMLGFQJZZSZYAB-UHFFFAOYSA-N	-1	3	374.487	2.069	20	30		FEEDHM
C[C@](O)(C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)C1CCCCC1	ZINC000480897868	561219763	/nfs/dbraw/zinc/21/97/63/561219763.db2.gz	MBGGYBWWNXFOHB-INIZCTEOSA-N	-1	3	367.427	2.076	20	30		FEEDHM
C=CCCS(=O)(=O)[N-][C@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-]	ZINC000480936265	561220614	/nfs/dbraw/zinc/22/06/14/561220614.db2.gz	VOLNMANAMSVNSR-CQSZACIVSA-N	-1	3	370.427	2.473	20	30		FEEDHM
Cn1cc(C#N)cc1C(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1	ZINC000178072093	546734816	/nfs/dbraw/zinc/73/48/16/546734816.db2.gz	IDVRSFGADUPULH-UHFFFAOYSA-N	-1	3	352.394	2.093	20	30		FEEDHM
COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H](C#N)C1CCCCC1	ZINC000179236897	546918280	/nfs/dbraw/zinc/91/82/80/546918280.db2.gz	PGEBCGPPKUKPRG-AWEZNQCLSA-N	-1	3	354.403	2.363	20	30		FEEDHM
CC(=O)c1cccc(OCc2cc(C(=O)[N-]c3nn(C)cc3C#N)no2)c1	ZINC000180200882	547067111	/nfs/dbraw/zinc/06/71/11/547067111.db2.gz	COYLXVJGXIVQCR-UHFFFAOYSA-N	-1	3	365.349	2.314	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C(=O)N1CCCC[C@@H]1C	ZINC000184305174	547803404	/nfs/dbraw/zinc/80/34/04/547803404.db2.gz	CZKUPGPHBAQRDG-NWDGAFQWSA-N	-1	3	369.874	2.279	20	30		FEEDHM
COc1cc(Cl)cc(CN(CCC#N)CCN2CCOCC2)c1[O-]	ZINC000184670033	547862213	/nfs/dbraw/zinc/86/22/13/547862213.db2.gz	ZXMFZVWAWAABOT-UHFFFAOYSA-N	-1	3	353.850	2.102	20	30		FEEDHM
C=CC[C@@H](CO)NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1	ZINC000185725776	548025888	/nfs/dbraw/zinc/02/58/88/548025888.db2.gz	XZNJNSYQPFZPET-PKOBYXMFSA-N	-1	3	368.433	2.307	20	30		FEEDHM
Cn1nc(CC[N-]S(=O)(=O)c2ccc(F)cc2C#N)c2ccccc21	ZINC000186206786	548099787	/nfs/dbraw/zinc/09/97/87/548099787.db2.gz	MMPCSBLWYXKBAO-UHFFFAOYSA-N	-1	3	358.398	2.105	20	30		FEEDHM
C=CC[C@@H](CO)[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1	ZINC000186663174	548168397	/nfs/dbraw/zinc/16/83/97/548168397.db2.gz	AHADMUJKROWSEA-QMMMGPOBSA-N	-1	3	354.653	2.318	20	30		FEEDHM
N#CCc1cccc(OS(=O)(=O)c2c[n-]c(C(=O)N3CCCC3)c2)c1	ZINC000192147132	548359805	/nfs/dbraw/zinc/35/98/05/548359805.db2.gz	FYROYDMIPJFABP-UHFFFAOYSA-N	-1	3	359.407	2.084	20	30		FEEDHM
COc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)cc1C(N)=O	ZINC000486552557	561350597	/nfs/dbraw/zinc/35/05/97/561350597.db2.gz	UYDYKAFJWRGUHE-UHFFFAOYSA-N	-1	3	365.798	2.120	20	30		FEEDHM
O=S(=O)(NN=Cc1ccccc1[O-])c1ccc(Br)cc1	ZINC000254583975	549701240	/nfs/dbraw/zinc/70/12/40/549701240.db2.gz	XKXNTWIYYZWDMU-UHFFFAOYSA-N	-1	3	355.213	2.467	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N(CC(F)F)C2CC2)ccc1F	ZINC000264448253	549995780	/nfs/dbraw/zinc/99/57/80/549995780.db2.gz	RPALQZAKXFQGID-UHFFFAOYSA-N	-1	3	362.373	2.160	20	30		FEEDHM
CCCS(=O)(=O)Nc1cccc(/N=C/c2c([O-])c(C)ncc2CO)c1	ZINC000265615682	550012829	/nfs/dbraw/zinc/01/28/29/550012829.db2.gz	WEASGCJWJBEMIH-VXLYETTFSA-N	-1	3	363.439	2.490	20	30		FEEDHM
COc1ccc(/N=C/c2c([O-])c(C)ncc2CO)cc1N1CCOC1=O	ZINC000266334055	550019439	/nfs/dbraw/zinc/01/94/39/550019439.db2.gz	LAMAIQPGCGUIOK-AWQFTUOYSA-N	-1	3	357.366	2.304	20	30		FEEDHM
CCS(=O)(=O)[N-]c1ccc(NC(=O)N(C)[C@H](C)CC#N)cc1OC	ZINC000267907408	550035556	/nfs/dbraw/zinc/03/55/56/550035556.db2.gz	JTIGKKFDSALOEL-LLVKDONJSA-N	-1	3	354.432	2.223	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)c1nnc(C(C)C)[nH]1	ZINC000270605900	550288642	/nfs/dbraw/zinc/28/86/42/550288642.db2.gz	DPCGTSNFORHUFP-GFCCVEGCSA-N	-1	3	356.430	2.327	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)c1n[nH]c(C(C)C)n1	ZINC000270605900	550288643	/nfs/dbraw/zinc/28/86/43/550288643.db2.gz	DPCGTSNFORHUFP-GFCCVEGCSA-N	-1	3	356.430	2.327	20	30		FEEDHM
CCCOc1ccc(/C=N/[C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)c([O-])c1	ZINC000271814258	550403889	/nfs/dbraw/zinc/40/38/89/550403889.db2.gz	NYLURTGWKSSDIS-QOFCOZIMSA-N	-1	3	367.467	2.336	20	30		FEEDHM
N#Cc1cc(F)ccc1S(=O)(=O)[N-]C1(C(=O)Nc2ccccc2)CC1	ZINC000494556269	561471728	/nfs/dbraw/zinc/47/17/28/561471728.db2.gz	CZIKEINYKDXGDA-UHFFFAOYSA-N	-1	3	359.382	2.147	20	30		FEEDHM
C#CCN(C(=O)c1cc(C2CC2)nc2c1c(=O)[n-]c(=O)n2CCC)C1CC1	ZINC000274063486	550521866	/nfs/dbraw/zinc/52/18/66/550521866.db2.gz	PDCXGANWLZMIMG-UHFFFAOYSA-N	-1	3	366.421	2.022	20	30		FEEDHM
CC[C@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2ccc(F)cc2C#N)n[nH]1	ZINC000277021607	550622921	/nfs/dbraw/zinc/62/29/21/550622921.db2.gz	WUWZNSNIJLBFFD-VHSXEESVSA-N	-1	3	351.407	2.368	20	30		FEEDHM
C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[N-]S(=O)(=O)c1cccnc1C#N	ZINC000277189900	550641574	/nfs/dbraw/zinc/64/15/74/550641574.db2.gz	OMFYDPVRJGKJOE-NVXWUHKLSA-N	-1	3	370.478	2.142	20	30		FEEDHM
N#Cc1ccnc([N-]C(=O)c2sccc2S(=O)(=O)N2CCCC2)c1	ZINC000277916775	550728673	/nfs/dbraw/zinc/72/86/73/550728673.db2.gz	PBZCDVWTLXFBJD-UHFFFAOYSA-N	-1	3	362.436	2.052	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H]1CCCCN1C1CC1	ZINC000277967958	550734052	/nfs/dbraw/zinc/73/40/52/550734052.db2.gz	PXKAVIFLRXCAOS-MRXNPFEDSA-N	-1	3	356.470	2.341	20	30		FEEDHM
CC[C@@H](CC#N)[N-]S(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C	ZINC000278946075	550839054	/nfs/dbraw/zinc/83/90/54/550839054.db2.gz	YWFJCUZTBRCWCO-QMMMGPOBSA-N	-1	3	350.849	2.467	20	30		FEEDHM
C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(C#N)ccc2NC2CC2)c(C)o1	ZINC000281244314	551077504	/nfs/dbraw/zinc/07/75/04/551077504.db2.gz	TXXLHCTZBHYNID-UHFFFAOYSA-N	-1	3	374.422	2.194	20	30		FEEDHM
C=CCN(CCc1ccco1)C(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1	ZINC000496688909	561495309	/nfs/dbraw/zinc/49/53/09/561495309.db2.gz	KPUGNQUBFNVYCL-FQEVSTJZSA-N	-1	3	367.405	2.205	20	30		FEEDHM
COc1ccccc1[C@H]([N-]S(=O)(=O)N(C)C[C@H](C)C#N)c1ccco1	ZINC000281716327	551134172	/nfs/dbraw/zinc/13/41/72/551134172.db2.gz	DQVWMQGYUWTTSS-DYVFJYSZSA-N	-1	3	363.439	2.303	20	30		FEEDHM
CCn1c(=O)[n-]c(=O)c2c(C(=O)N(C)CC(C)(C)C#N)cc(C(C)C)nc21	ZINC000497345431	561498890	/nfs/dbraw/zinc/49/88/90/561498890.db2.gz	YVNUUZOTCSPWCP-UHFFFAOYSA-N	-1	3	371.441	2.262	20	30		FEEDHM
CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1)[C@@H](O)C(F)(F)F	ZINC000497933961	561511599	/nfs/dbraw/zinc/51/15/99/561511599.db2.gz	HWOCXXCPDHXUJH-WDEREUQCSA-N	-1	3	356.753	2.192	20	30		FEEDHM
CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1)[C@H](O)C(F)(F)F	ZINC000497933959	561511682	/nfs/dbraw/zinc/51/16/82/561511682.db2.gz	HWOCXXCPDHXUJH-MNOVXSKESA-N	-1	3	356.753	2.192	20	30		FEEDHM
N#Cc1ccc(N2CC[C@H](C(=O)Nc3nnc(C(F)(F)F)[n-]3)C2)c(F)c1	ZINC000285898425	551825194	/nfs/dbraw/zinc/82/51/94/551825194.db2.gz	DLHICENDCIFKCC-VIFPVBQESA-N	-1	3	368.294	2.299	20	30		FEEDHM
N#Cc1ccc(N2CC[C@H](C(=O)Nc3nc(C(F)(F)F)n[n-]3)C2)c(F)c1	ZINC000285898425	551825195	/nfs/dbraw/zinc/82/51/95/551825195.db2.gz	DLHICENDCIFKCC-VIFPVBQESA-N	-1	3	368.294	2.299	20	30		FEEDHM
N#Cc1nc(NC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)[n-]c1C#N	ZINC000287686980	552034336	/nfs/dbraw/zinc/03/43/36/552034336.db2.gz	SYKSHQMIVOIINA-CYBMUJFWSA-N	-1	3	370.363	2.249	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)[C@H](O)c1ccccc1	ZINC000290265941	552451041	/nfs/dbraw/zinc/45/10/41/552451041.db2.gz	ZMGQRDYLDREOLJ-KUHUBIRLSA-N	-1	3	353.422	2.447	20	30		FEEDHM
N#Cc1ccc(/C=C/C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cc1	ZINC000290293479	552455550	/nfs/dbraw/zinc/45/55/50/552455550.db2.gz	FLQFIGBSTNNOEF-MVGZEHJDSA-N	-1	3	365.355	2.489	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@@H](CO)c2ccccc21	ZINC000293884791	552864905	/nfs/dbraw/zinc/86/49/05/552864905.db2.gz	KAKVZOFEJUJFAT-AWEZNQCLSA-N	-1	3	351.406	2.331	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)c1ccc(C#N)cc1	ZINC000294245423	552890625	/nfs/dbraw/zinc/89/06/25/552890625.db2.gz	WGESWBAOIIKCAN-SECBINFHSA-N	-1	3	358.345	2.350	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@@]2(CCCO2)[C@H]1C1CC1	ZINC000294753464	552931980	/nfs/dbraw/zinc/93/19/80/552931980.db2.gz	IVPVTHNEAAIYQR-QUCCMNQESA-N	-1	3	355.438	2.378	20	30		FEEDHM
N#Cc1cccc(C2(NC(=O)NCc3nnc(C(F)(F)F)[n-]3)CC2)c1	ZINC000502139853	561612796	/nfs/dbraw/zinc/61/27/96/561612796.db2.gz	MYQQSWYCXROABN-UHFFFAOYSA-N	-1	3	350.304	2.184	20	30		FEEDHM
N#Cc1cccc(C2(NC(=O)NCc3n[n-]c(C(F)(F)F)n3)CC2)c1	ZINC000502139853	561612797	/nfs/dbraw/zinc/61/27/97/561612797.db2.gz	MYQQSWYCXROABN-UHFFFAOYSA-N	-1	3	350.304	2.184	20	30		FEEDHM
N#Cc1cccc(C2(NC(=O)NCc3nc(C(F)(F)F)n[n-]3)CC2)c1	ZINC000502139853	561612798	/nfs/dbraw/zinc/61/27/98/561612798.db2.gz	MYQQSWYCXROABN-UHFFFAOYSA-N	-1	3	350.304	2.184	20	30		FEEDHM
C[C@@H](CCCCO)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000295754030	553054853	/nfs/dbraw/zinc/05/48/53/553054853.db2.gz	OMVONJARBOGLNL-JTQLQIEISA-N	-1	3	350.362	2.406	20	30		FEEDHM
CS(=O)(=O)[N-]c1cncc(C(=O)Nc2cccc(OCCCC#N)c2)c1	ZINC000502779917	561625321	/nfs/dbraw/zinc/62/53/21/561625321.db2.gz	YGZWHQNXQVRNCG-UHFFFAOYSA-N	-1	3	374.422	2.388	20	30		FEEDHM
N#Cc1c(F)cccc1N1CCN(C(=O)c2cc(F)cc3[n-]nnc32)CC1	ZINC000503324302	561639482	/nfs/dbraw/zinc/63/94/82/561639482.db2.gz	PGRHROVIBYVKIY-UHFFFAOYSA-N	-1	3	368.347	2.070	20	30		FEEDHM
N#Cc1c(F)cccc1N1CCN(C(=O)c2cc(F)cc3nn[n-]c32)CC1	ZINC000503324302	561639483	/nfs/dbraw/zinc/63/94/83/561639483.db2.gz	PGRHROVIBYVKIY-UHFFFAOYSA-N	-1	3	368.347	2.070	20	30		FEEDHM
N#Cc1c(F)cccc1N1CCN(C(=O)c2cc(F)cc3n[n-]nc32)CC1	ZINC000503324302	561639484	/nfs/dbraw/zinc/63/94/84/561639484.db2.gz	PGRHROVIBYVKIY-UHFFFAOYSA-N	-1	3	368.347	2.070	20	30		FEEDHM
CCCNc1ccc(C#N)cc1NC(=O)c1cncc([N-]S(C)(=O)=O)c1	ZINC000503428589	561641191	/nfs/dbraw/zinc/64/11/91/561641191.db2.gz	PZKFROCWNUMCOK-UHFFFAOYSA-N	-1	3	373.438	2.399	20	30		FEEDHM
CCCCOCCOCC[N-]S(=O)(=O)c1ccc(C#N)cc1Cl	ZINC000503504771	561643133	/nfs/dbraw/zinc/64/31/33/561643133.db2.gz	KQQBJMGXYCEGHT-UHFFFAOYSA-N	-1	3	360.863	2.323	20	30		FEEDHM
CC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)[C@H](O)C(F)(F)F	ZINC000503774996	561648183	/nfs/dbraw/zinc/64/81/83/561648183.db2.gz	PLZPTTQPIFAAFE-KOLCDFICSA-N	-1	3	356.753	2.192	20	30		FEEDHM
Cc1cn2cc(C(=O)[N-]c3ncn(Cc4ccc(C#N)cc4)n3)sc2n1	ZINC000505186945	561667580	/nfs/dbraw/zinc/66/75/80/561667580.db2.gz	BQFFMCOGCDNXFR-UHFFFAOYSA-N	-1	3	363.406	2.468	20	30		FEEDHM
C[C@]1(C[C@@H]2CCCN2C(=O)N[C@@H]2CCC[C@@H]3OCC[C@@H]32)NC(=O)[N-]C1=O	ZINC000329255107	553911836	/nfs/dbraw/zinc/91/18/36/553911836.db2.gz	BHPVBQPXHLKMLO-ACNCTBCOSA-N	-1	3	364.446	2.355	20	30		FEEDHM
N#CC1(CS(=O)(=O)[N-][C@@H]2CC(=O)N(c3ccccc3)C2)CCCCC1	ZINC000329992048	554045821	/nfs/dbraw/zinc/04/58/21/554045821.db2.gz	AKECBMYUXSSDBU-OAHLLOKOSA-N	-1	3	361.467	2.185	20	30		FEEDHM
CNc1ccc(C#N)cc1[N-]S(=O)(=O)CCOc1ccc(OC)cc1	ZINC000507988112	561748323	/nfs/dbraw/zinc/74/83/23/561748323.db2.gz	XJCGQWSKMDUTJB-UHFFFAOYSA-N	-1	3	361.423	2.429	20	30		FEEDHM
N#Cc1c(Br)cccc1S(=O)(=O)[N-]CC1(O)CCCCC1	ZINC000330666373	554154275	/nfs/dbraw/zinc/15/42/75/554154275.db2.gz	IAMXOSYPWZJPHW-UHFFFAOYSA-N	-1	3	373.272	2.294	20	30		FEEDHM
C[C@H](CC#N)N(C)S(=O)(=O)[N-][C@H](CO)c1c(Cl)cccc1Cl	ZINC000509262784	561792761	/nfs/dbraw/zinc/79/27/61/561792761.db2.gz	IQPCNXYAUOQJEY-BXKDBHETSA-N	-1	3	366.270	2.095	20	30		FEEDHM
COCC[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)C(C)(C)C	ZINC000510646726	561841972	/nfs/dbraw/zinc/84/19/72/561841972.db2.gz	OROZESPZNXJICP-CQSZACIVSA-N	-1	3	355.416	2.196	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(c2c[nH]cn2)CC1	ZINC000332999674	554556520	/nfs/dbraw/zinc/55/65/20/554556520.db2.gz	CPMHYONOQIIQEX-UHFFFAOYSA-N	-1	3	353.426	2.338	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(c2cnc[nH]2)CC1	ZINC000332999674	554556522	/nfs/dbraw/zinc/55/65/22/554556522.db2.gz	CPMHYONOQIIQEX-UHFFFAOYSA-N	-1	3	353.426	2.338	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc([C@H]2CC(=O)N(C(C)C)C2)no1	ZINC000349739733	554740561	/nfs/dbraw/zinc/74/05/61/554740561.db2.gz	AMBKJAPHYYQOHW-ZDUSSCGKSA-N	-1	3	369.425	2.168	20	30		FEEDHM
COc1cccc2c1OCC[C@H]2[N-]S(=O)(=O)c1ccc(C#N)s1	ZINC000366682211	555907932	/nfs/dbraw/zinc/90/79/32/555907932.db2.gz	WVKVJBUQITZTPG-GFCCVEGCSA-N	-1	3	350.421	2.430	20	30		FEEDHM
C[C@@]1(C[N-]S(=O)(=O)c2ccc(C#N)o2)CCCN1Cc1ccccc1	ZINC000515624368	562017349	/nfs/dbraw/zinc/01/73/49/562017349.db2.gz	DBSLWKMDBRLOTO-SFHVURJKSA-N	-1	3	359.451	2.484	20	30		FEEDHM
Cc1ccc(C(=O)N2CC(S(=O)(=O)[N-]c3ccccc3)C2)cc1C#N	ZINC000369116837	556508828	/nfs/dbraw/zinc/50/88/28/556508828.db2.gz	OCRIXWISQOTTJS-UHFFFAOYSA-N	-1	3	355.419	2.133	20	30		FEEDHM
COCCOc1ccc(C#N)cc1[N-]S(=O)(=O)N1C[C@H](C)C[C@H](C)C1	ZINC000517053610	562073849	/nfs/dbraw/zinc/07/38/49/562073849.db2.gz	OPRUHLWWMUNHLQ-OKILXGFUSA-N	-1	3	367.471	2.218	20	30		FEEDHM
N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]Cc1ccnc(-n2cccn2)c1	ZINC000371018777	557047596	/nfs/dbraw/zinc/04/75/96/557047596.db2.gz	OGEICZYUSNAIRY-UHFFFAOYSA-N	-1	3	373.825	2.271	20	30		FEEDHM
Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)NCC3(C#N)CC3)cs2)c1	ZINC000519620552	562137267	/nfs/dbraw/zinc/13/72/67/562137267.db2.gz	DOYKBUMNCAYNIP-UHFFFAOYSA-N	-1	3	370.434	2.372	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-][C@H](c1ccccc1)C1CCOCC1	ZINC000372992790	557605747	/nfs/dbraw/zinc/60/57/47/557605747.db2.gz	ZACULJWRKXTGCZ-GOSISDBHSA-N	-1	3	357.435	2.399	20	30		FEEDHM
CC(C)([N-]S(=O)(=O)c1ccc(C#N)s1)c1cn(-c2ccccc2)nn1	ZINC000373823281	557767159	/nfs/dbraw/zinc/76/71/59/557767159.db2.gz	NQOPJUMXAKWBFG-UHFFFAOYSA-N	-1	3	373.463	2.414	20	30		FEEDHM
N#CCCn1cc(C(=O)[N-]c2nncs2)c(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000521299608	562173882	/nfs/dbraw/zinc/17/38/82/562173882.db2.gz	VWOIJZBPOODYMG-UHFFFAOYSA-N	-1	3	369.366	2.476	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1NCCc2ccccc21	ZINC000375988729	558110604	/nfs/dbraw/zinc/11/06/04/558110604.db2.gz	GOQDRKFYBFFTRL-IBGZPJMESA-N	-1	3	364.449	2.212	20	30		FEEDHM
COc1cc(C(=O)Nc2cnn(-c3ncccc3C#N)c2)cc(OC)c1[O-]	ZINC000376368268	558163912	/nfs/dbraw/zinc/16/39/12/558163912.db2.gz	MZXBSOZVCLGTRG-UHFFFAOYSA-N	-1	3	365.349	2.114	20	30		FEEDHM
C=CCC(CC=C)C(=O)N1CCC[C@@H](c2n[nH]cc2[N-]S(C)(=O)=O)C1	ZINC000378547977	558580078	/nfs/dbraw/zinc/58/00/78/558580078.db2.gz	KBUUBHLTJCUHDE-CQSZACIVSA-N	-1	3	366.487	2.256	20	30		FEEDHM
C=CCC(CC=C)C(=O)N1CCC[C@@H](c2[nH]ncc2[N-]S(C)(=O)=O)C1	ZINC000378547977	558580081	/nfs/dbraw/zinc/58/00/81/558580081.db2.gz	KBUUBHLTJCUHDE-CQSZACIVSA-N	-1	3	366.487	2.256	20	30		FEEDHM
N#C[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(Br)cc2c1OCC2	ZINC000408212480	558657136	/nfs/dbraw/zinc/65/71/36/558657136.db2.gz	WVXRQVMEVHTMKC-PWSUYJOCSA-N	-1	3	371.256	2.355	20	30		FEEDHM
CCN(CCC#N)S(=O)(=O)[N-][C@@H](C)c1nc(-c2cccc(F)c2)no1	ZINC000410148916	558742122	/nfs/dbraw/zinc/74/21/22/558742122.db2.gz	SWEBXYSZBGOWLX-NSHDSACASA-N	-1	3	367.406	2.007	20	30		FEEDHM
N#CC1(NC(=O)c2cccc3nn[n-]c32)CCN(Cc2ccccc2)CC1	ZINC000526120326	562267527	/nfs/dbraw/zinc/26/75/27/562267527.db2.gz	GHASIXUCPPCYGJ-UHFFFAOYSA-N	-1	3	360.421	2.246	20	30		FEEDHM
N#CC1(NC(=O)c2cccc3[n-]nnc32)CCN(Cc2ccccc2)CC1	ZINC000526120326	562267528	/nfs/dbraw/zinc/26/75/28/562267528.db2.gz	GHASIXUCPPCYGJ-UHFFFAOYSA-N	-1	3	360.421	2.246	20	30		FEEDHM
N#CC1(NC(=O)c2cccc3n[n-]nc32)CCN(Cc2ccccc2)CC1	ZINC000526120326	562267529	/nfs/dbraw/zinc/26/75/29/562267529.db2.gz	GHASIXUCPPCYGJ-UHFFFAOYSA-N	-1	3	360.421	2.246	20	30		FEEDHM
N#Cc1ccc(Br)cc1S(=O)(=O)[N-]C[C@H]1CCCCO1	ZINC000416385546	559309086	/nfs/dbraw/zinc/30/90/86/559309086.db2.gz	HVKLYDDBVFVHPA-GFCCVEGCSA-N	-1	3	359.245	2.168	20	30		FEEDHM
C[C@H](C[N-]S(=O)(=O)c1cc(Br)ccc1C#N)N(C)C1CC1	ZINC000416389250	559309346	/nfs/dbraw/zinc/30/93/46/559309346.db2.gz	PBHROOHPJOCKLO-SNVBAGLBSA-N	-1	3	372.288	2.082	20	30		FEEDHM
Cc1ncccc1NC(=O)[C@H](C)[N-]S(=O)(=O)CC1(C#N)CCCCC1	ZINC000416511859	559318976	/nfs/dbraw/zinc/31/89/76/559318976.db2.gz	NZKYJJPAQWGXRC-AWEZNQCLSA-N	-1	3	364.471	2.111	20	30		FEEDHM
COC(=O)[C@@H](CNC(=O)c1ccc(CC#N)cc1)Cc1ccc([O-])c(F)c1	ZINC000422047725	559562856	/nfs/dbraw/zinc/56/28/56/559562856.db2.gz	VMEKBICDGAPALN-MRXNPFEDSA-N	-1	3	370.380	2.359	20	30		FEEDHM
C=C(C)C(C)(C)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F	ZINC000424840372	559678220	/nfs/dbraw/zinc/67/82/20/559678220.db2.gz	ZTVWEKAPDORNSB-UHFFFAOYSA-N	-1	3	362.854	2.476	20	30		FEEDHM
C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F	ZINC000425179928	559689818	/nfs/dbraw/zinc/68/98/18/559689818.db2.gz	QWLUMELBOUSTLW-ONGXEEELSA-N	-1	3	351.346	2.297	20	30		FEEDHM
CC(C)C[C@@H](C[N-]S(=O)(=O)c1cccnc1C#N)C(=O)OC(C)(C)C	ZINC000425191439	559690280	/nfs/dbraw/zinc/69/02/80/559690280.db2.gz	WBHWATCCGMFHAT-ZDUSSCGKSA-N	-1	3	367.471	2.236	20	30		FEEDHM
Cc1ncc(S(=O)(=O)[N-]c2cc(C(F)(F)F)c[nH]c2=O)cc1C#N	ZINC000427766214	559761893	/nfs/dbraw/zinc/76/18/93/559761893.db2.gz	NILHFFOMCGZXMY-UHFFFAOYSA-N	-1	3	358.301	2.182	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(N(C)C(N)=O)c1	ZINC000427965132	559766523	/nfs/dbraw/zinc/76/65/23/559766523.db2.gz	LNTAPVZRHHVTSY-UHFFFAOYSA-N	-1	3	367.409	2.362	20	30		FEEDHM
C=C[C@H]1CCCCN1C(=O)CC[N-]S(=O)(=O)c1ccc(F)c(F)c1	ZINC000428042172	559768369	/nfs/dbraw/zinc/76/83/69/559768369.db2.gz	UGGBTEUCCCJNRS-LBPRGKRZSA-N	-1	3	358.410	2.200	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-]Cc1ccc(Br)c(F)c1	ZINC000428223074	559771823	/nfs/dbraw/zinc/77/18/23/559771823.db2.gz	AZQSKPMRCSWSCT-UHFFFAOYSA-N	-1	3	370.203	2.333	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-]CCOc1cccc2ccccc21	ZINC000428241031	559772041	/nfs/dbraw/zinc/77/20/41/559772041.db2.gz	CRYXCRAQMFUQBQ-UHFFFAOYSA-N	-1	3	353.403	2.464	20	30		FEEDHM
N[C@@](C(=O)Nc1nnc(C(F)(F)F)[n-]1)(c1cccc(F)c1)C(F)(F)F	ZINC000431523300	559840836	/nfs/dbraw/zinc/84/08/36/559840836.db2.gz	KSSBIRZKDWITBH-SNVBAGLBSA-N	-1	3	371.216	2.318	20	30		FEEDHM
N[C@@](C(=O)Nc1nc(C(F)(F)F)n[n-]1)(c1cccc(F)c1)C(F)(F)F	ZINC000431523300	559840837	/nfs/dbraw/zinc/84/08/37/559840837.db2.gz	KSSBIRZKDWITBH-SNVBAGLBSA-N	-1	3	371.216	2.318	20	30		FEEDHM
CC#CCNC(=O)Nc1ccc([N-]S(=O)(=O)Cc2ccccc2)cn1	ZINC000432819297	559865515	/nfs/dbraw/zinc/86/55/15/559865515.db2.gz	GGFXDCPBNBNPAX-UHFFFAOYSA-N	-1	3	358.423	2.168	20	30		FEEDHM
COc1cccc(N2CC[C@@H]([N-]S(=O)(=O)c3ccc(C#N)s3)C2)c1	ZINC000435431132	559922857	/nfs/dbraw/zinc/92/28/57/559922857.db2.gz	CAZOYNPCLHQRBY-GFCCVEGCSA-N	-1	3	363.464	2.186	20	30		FEEDHM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]Cc1ccc(F)c(F)c1	ZINC000443008116	560065712	/nfs/dbraw/zinc/06/57/12/560065712.db2.gz	RXQMBGGAWFDLJO-UHFFFAOYSA-N	-1	3	353.306	2.223	20	30		FEEDHM
N#Cc1cc(F)ccc1S(=O)(=O)[N-]CCc1ccn(-c2ccccc2)n1	ZINC000443032262	560066885	/nfs/dbraw/zinc/06/68/85/560066885.db2.gz	JBVXCWYDBVLLBJ-UHFFFAOYSA-N	-1	3	370.409	2.404	20	30		FEEDHM
CC(C)[C@@](C)(O)C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000443292170	560078121	/nfs/dbraw/zinc/07/81/21/560078121.db2.gz	BXFYPAMJYNATIY-ZDUSSCGKSA-N	-1	3	350.362	2.262	20	30		FEEDHM
C=CCN(CC=C)[C@@H](C[N-]S(=O)(=O)c1cn(C(C)C)cn1)C(C)C	ZINC000444106446	560101765	/nfs/dbraw/zinc/10/17/65/560101765.db2.gz	GMKAGSUEHIFZEE-INIZCTEOSA-N	-1	3	354.520	2.441	20	30		FEEDHM
CCC(C#N)(CC)C(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1	ZINC000527753616	562302533	/nfs/dbraw/zinc/30/25/33/562302533.db2.gz	FRYXJLMFBHDVBE-UHFFFAOYSA-N	-1	3	369.512	2.347	20	30		FEEDHM
Cc1ccc(NC(=O)C[N-]S(=O)(=O)CC2(CC#N)CC2)c(Cl)c1	ZINC000451142172	560289472	/nfs/dbraw/zinc/28/94/72/560289472.db2.gz	VSTSJZPNGBGIIM-UHFFFAOYSA-N	-1	3	355.847	2.200	20	30		FEEDHM
CN(C)C(=O)C1([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)CCCCC1	ZINC000451769545	560327516	/nfs/dbraw/zinc/32/75/16/560327516.db2.gz	ABOTTYIFORGOQP-UHFFFAOYSA-N	-1	3	369.874	2.281	20	30		FEEDHM
CN(C)C(=O)C1([N-]S(=O)(=O)CC2(C#N)CCCCC2)CCCCC1	ZINC000451770915	560327540	/nfs/dbraw/zinc/32/75/40/560327540.db2.gz	GCNNNFVOARPJTR-UHFFFAOYSA-N	-1	3	355.504	2.171	20	30		FEEDHM
COc1ccccc1C(=O)C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl	ZINC000464204406	560835913	/nfs/dbraw/zinc/83/59/13/560835913.db2.gz	FJLDSLXSFVNMQM-UHFFFAOYSA-N	-1	3	364.810	2.381	20	30		FEEDHM
CCOC(=O)CN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C1CCC1	ZINC000466300028	560883849	/nfs/dbraw/zinc/88/38/49/560883849.db2.gz	VGSANIFABXCQPM-UHFFFAOYSA-N	-1	3	359.426	2.153	20	30		FEEDHM
CO[C@H](CC[N-]S(=O)(=O)c1ccc(Cl)cc1C#N)C(F)(F)F	ZINC000468877547	560941139	/nfs/dbraw/zinc/94/11/39/560941139.db2.gz	HWJUCIBKRJEVQO-LLVKDONJSA-N	-1	3	356.753	2.457	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)CCC(=O)OC(C)C	ZINC000473589647	561053455	/nfs/dbraw/zinc/05/34/55/561053455.db2.gz	GRPOUDWAVZFRMI-GFCCVEGCSA-N	-1	3	361.442	2.445	20	30		FEEDHM
CCC(C#N)(CC)c1nc(-c2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)no1	ZINC000528122063	562315116	/nfs/dbraw/zinc/31/51/16/562315116.db2.gz	GGFAUBANDNOKRM-QGZVFWFLSA-N	-1	3	353.382	2.373	20	30		FEEDHM
C[C@]1(CO)CCC[C@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000536153822	562573339	/nfs/dbraw/zinc/57/33/39/562573339.db2.gz	AFPHCLURMZFNJY-ZIAGYGMSSA-N	-1	3	362.373	2.406	20	30		FEEDHM
C[C@]1(c2ccc(-c3noc(-c4ccc(C#N)cc4)n3)cc2)NC(=O)[N-]C1=O	ZINC000546241802	562635468	/nfs/dbraw/zinc/63/54/68/562635468.db2.gz	SIVFWMXBTWHUQH-LJQANCHMSA-N	-1	3	359.345	2.330	20	30		FEEDHM
N#Cc1cc(NC(=O)COc2cccc(Cl)c2)ccc1-c1nnn[n-]1	ZINC000737710346	598919274	/nfs/dbraw/zinc/91/92/74/598919274.db2.gz	XHNMQVJFEKKZKQ-UHFFFAOYSA-N	-1	3	354.757	2.409	20	30		FEEDHM
N#Cc1cc(NC(=O)COc2cccc(Cl)c2)ccc1-c1nn[n-]n1	ZINC000737710346	598919275	/nfs/dbraw/zinc/91/92/75/598919275.db2.gz	XHNMQVJFEKKZKQ-UHFFFAOYSA-N	-1	3	354.757	2.409	20	30		FEEDHM
N#Cc1cc(NC(=O)c2cnn(-c3ccccc3F)c2)ccc1-c1nnn[n-]1	ZINC000737708683	598925796	/nfs/dbraw/zinc/92/57/96/598925796.db2.gz	FMENPERCVDSGLV-UHFFFAOYSA-N	-1	3	374.339	2.315	20	30		FEEDHM
N#Cc1cc(NC(=O)c2cnn(-c3ccccc3F)c2)ccc1-c1nn[n-]n1	ZINC000737708683	598925797	/nfs/dbraw/zinc/92/57/97/598925797.db2.gz	FMENPERCVDSGLV-UHFFFAOYSA-N	-1	3	374.339	2.315	20	30		FEEDHM
Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N(CCC#N)CC(C)(C)C	ZINC000737296541	598955806	/nfs/dbraw/zinc/95/58/06/598955806.db2.gz	KFMCZYOPZJPRRY-UHFFFAOYSA-N	-1	3	362.459	2.126	20	30		FEEDHM
Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N(CCC#N)CC(C)(C)C	ZINC000737296541	598955808	/nfs/dbraw/zinc/95/58/08/598955808.db2.gz	KFMCZYOPZJPRRY-UHFFFAOYSA-N	-1	3	362.459	2.126	20	30		FEEDHM
COc1ccc(CN=Nc2nc(-c3ccccc3)no2)cc1-c1nnn[n-]1	ZINC000737082331	599128775	/nfs/dbraw/zinc/12/87/75/599128775.db2.gz	HUPDFHMZZXKYSN-UHFFFAOYSA-N	-1	3	362.353	2.371	20	30		FEEDHM
COc1ccc(CN=Nc2nc(-c3ccccc3)no2)cc1-c1nn[n-]n1	ZINC000737082331	599128778	/nfs/dbraw/zinc/12/87/78/599128778.db2.gz	HUPDFHMZZXKYSN-UHFFFAOYSA-N	-1	3	362.353	2.371	20	30		FEEDHM
N#Cc1cccc(-c2nnc(COC(=O)c3cccc(-c4nnn[n-]4)c3)o2)c1	ZINC000737722473	599152034	/nfs/dbraw/zinc/15/20/34/599152034.db2.gz	JRJHALYOLBSVTA-UHFFFAOYSA-N	-1	3	373.332	2.145	20	30		FEEDHM
N#Cc1cccc(-c2nnc(COC(=O)c3cccc(-c4nn[n-]n4)c3)o2)c1	ZINC000737722473	599152036	/nfs/dbraw/zinc/15/20/36/599152036.db2.gz	JRJHALYOLBSVTA-UHFFFAOYSA-N	-1	3	373.332	2.145	20	30		FEEDHM
N#Cc1cc(NC(=O)COc2ccc3c(c2)CCC3)ccc1-c1nnn[n-]1	ZINC000737710435	599198251	/nfs/dbraw/zinc/19/82/51/599198251.db2.gz	XZHUQGOMXKERKW-UHFFFAOYSA-N	-1	3	360.377	2.245	20	30		FEEDHM
N#Cc1cc(NC(=O)COc2ccc3c(c2)CCC3)ccc1-c1nn[n-]n1	ZINC000737710435	599198253	/nfs/dbraw/zinc/19/82/53/599198253.db2.gz	XZHUQGOMXKERKW-UHFFFAOYSA-N	-1	3	360.377	2.245	20	30		FEEDHM
COCCOc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1	ZINC000737011718	599199423	/nfs/dbraw/zinc/19/94/23/599199423.db2.gz	XLJIMTWVCCKQTF-UHFFFAOYSA-N	-1	3	364.365	2.016	20	30		FEEDHM
COCCOc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1	ZINC000737011718	599199424	/nfs/dbraw/zinc/19/94/24/599199424.db2.gz	XLJIMTWVCCKQTF-UHFFFAOYSA-N	-1	3	364.365	2.016	20	30		FEEDHM
C=CCNc1ncc(C(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)s1	ZINC000819751496	607263323	/nfs/dbraw/zinc/26/33/23/607263323.db2.gz	WCORBAGJRGTWOQ-UHFFFAOYSA-N	-1	3	360.374	2.417	20	30		FEEDHM
C=CCNc1ncc(C(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)s1	ZINC000819751496	607263324	/nfs/dbraw/zinc/26/33/24/607263324.db2.gz	WCORBAGJRGTWOQ-UHFFFAOYSA-N	-1	3	360.374	2.417	20	30		FEEDHM
C[C@@H](Sc1nc(N)c(-c2nnn[n-]2)cc1C#N)c1cccc([N+](=O)[O-])c1	ZINC000736189851	598272787	/nfs/dbraw/zinc/27/27/87/598272787.db2.gz	CKNNBNKLXWYFNS-MRVPVSSYSA-N	-1	3	368.382	2.477	20	30		FEEDHM
C[C@@H](Sc1nc(N)c(-c2nn[n-]n2)cc1C#N)c1cccc([N+](=O)[O-])c1	ZINC000736189851	598272788	/nfs/dbraw/zinc/27/27/88/598272788.db2.gz	CKNNBNKLXWYFNS-MRVPVSSYSA-N	-1	3	368.382	2.477	20	30		FEEDHM
N#Cc1ccc(SCC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1	ZINC000737723355	598298099	/nfs/dbraw/zinc/29/80/99/598298099.db2.gz	SYPPQCNQZSBRFP-UHFFFAOYSA-N	-1	3	368.397	2.286	20	30		FEEDHM
N#Cc1ccc(SCC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1	ZINC000737723355	598298101	/nfs/dbraw/zinc/29/81/01/598298101.db2.gz	SYPPQCNQZSBRFP-UHFFFAOYSA-N	-1	3	368.397	2.286	20	30		FEEDHM
N#Cc1c2c(sc1NC(=O)c1ccc(-c3nnn[n-]3)cn1)CCCC2	ZINC000737706017	598437003	/nfs/dbraw/zinc/43/70/03/598437003.db2.gz	SZPXBXJLOFLETP-UHFFFAOYSA-N	-1	3	351.395	2.326	20	30		FEEDHM
N#Cc1c2c(sc1NC(=O)c1ccc(-c3nn[n-]n3)cn1)CCCC2	ZINC000737706017	598437005	/nfs/dbraw/zinc/43/70/05/598437005.db2.gz	SZPXBXJLOFLETP-UHFFFAOYSA-N	-1	3	351.395	2.326	20	30		FEEDHM
COc1ccc(NC(=S)NN=Cc2cccc(-c3nnn[n-]3)c2)cc1F	ZINC000737103919	598439737	/nfs/dbraw/zinc/43/97/37/598439737.db2.gz	LCSHLJNPVRNVIH-UHFFFAOYSA-N	-1	3	371.401	2.335	20	30		FEEDHM
COc1ccc(NC(=S)NN=Cc2cccc(-c3nn[n-]n3)c2)cc1F	ZINC000737103919	598439738	/nfs/dbraw/zinc/43/97/38/598439738.db2.gz	LCSHLJNPVRNVIH-UHFFFAOYSA-N	-1	3	371.401	2.335	20	30		FEEDHM
C=CCNC(=O)c1ccccc1NCc1cc(-c2nnn[n-]2)ccc1OC	ZINC000819751451	607368996	/nfs/dbraw/zinc/36/89/96/607368996.db2.gz	UUFZPLZZIHMHFB-UHFFFAOYSA-N	-1	3	364.409	2.403	20	30		FEEDHM
C=CCNC(=O)c1ccccc1NCc1cc(-c2nn[n-]n2)ccc1OC	ZINC000819751451	607368997	/nfs/dbraw/zinc/36/89/97/607368997.db2.gz	UUFZPLZZIHMHFB-UHFFFAOYSA-N	-1	3	364.409	2.403	20	30		FEEDHM
N#Cc1ccsc1C(=O)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1	ZINC000737728674	598809072	/nfs/dbraw/zinc/80/90/72/598809072.db2.gz	SYXBMBVXNCFZHR-UHFFFAOYSA-N	-1	3	362.378	2.238	20	30		FEEDHM
N#Cc1cccc(Cl)c1N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1	ZINC000822836916	599469591	/nfs/dbraw/zinc/46/95/91/599469591.db2.gz	AAOGKOZOWSUPHO-UHFFFAOYSA-N	-1	3	366.816	2.113	20	30		FEEDHM
N#Cc1cccc(Cl)c1N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1	ZINC000822836916	599469593	/nfs/dbraw/zinc/46/95/93/599469593.db2.gz	AAOGKOZOWSUPHO-UHFFFAOYSA-N	-1	3	366.816	2.113	20	30		FEEDHM
CN(Cc1nnc(-c2cccc(C#N)c2)o1)Cc1ccc(-c2nnn[n-]2)cc1	ZINC000821609643	599559498	/nfs/dbraw/zinc/55/94/98/599559498.db2.gz	FZIYTXHQLDNOHC-UHFFFAOYSA-N	-1	3	372.392	2.420	20	30		FEEDHM
CN(Cc1nnc(-c2cccc(C#N)c2)o1)Cc1ccc(-c2nn[n-]n2)cc1	ZINC000821609643	599559500	/nfs/dbraw/zinc/55/95/00/599559500.db2.gz	FZIYTXHQLDNOHC-UHFFFAOYSA-N	-1	3	372.392	2.420	20	30		FEEDHM
COc1ccc(NC(=O)C(C#N)=C([O-])c2cnn(CCF)c2)cc1Cl	ZINC000808979499	674476841	/nfs/dbraw/zinc/47/68/41/674476841.db2.gz	JECXQAZPJQCLRA-LBPRGKRZSA-N	-1	3	364.764	2.476	20	30		FEEDHM
N#Cc1c2[nH]c3ccccc3n2c(=O)cc1CN1CCC[C@@H](C(=O)[O-])C1	ZINC000739066810	600130704	/nfs/dbraw/zinc/13/07/04/600130704.db2.gz	REEBBTPZIMBAGK-OCCSQVGLSA-N	-1	3	350.378	2.020	20	30		FEEDHM
O=C1c2cc3c(cc2OCC1=Cc1ccc(-c2nnn[n-]2)cc1F)OCO3	ZINC000823503369	607460697	/nfs/dbraw/zinc/46/06/97/607460697.db2.gz	DZXMIZUGFVTHFH-JYOAFUTRSA-N	-1	3	366.308	2.393	20	30		FEEDHM
O=C1c2cc3c(cc2OCC1=Cc1ccc(-c2nn[n-]n2)cc1F)OCO3	ZINC000823503369	607460698	/nfs/dbraw/zinc/46/06/98/607460698.db2.gz	DZXMIZUGFVTHFH-JYOAFUTRSA-N	-1	3	366.308	2.393	20	30		FEEDHM
Fc1cc(-c2nnn[n-]2)ccc1C=NN1C(=S)N=NC1c1cccs1	ZINC000822739934	607463889	/nfs/dbraw/zinc/46/38/89/607463889.db2.gz	FCRIFNFORJXYKF-UHFFFAOYSA-N	-1	3	372.414	2.497	20	30		FEEDHM
Fc1cc(-c2nn[n-]n2)ccc1C=NN1C(=S)N=NC1c1cccs1	ZINC000822739934	607463890	/nfs/dbraw/zinc/46/38/90/607463890.db2.gz	FCRIFNFORJXYKF-UHFFFAOYSA-N	-1	3	372.414	2.497	20	30		FEEDHM
N#Cc1cc(CN2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)ccn1	ZINC000826383815	607495703	/nfs/dbraw/zinc/49/57/03/607495703.db2.gz	RLMMWTRGHXULKO-UHFFFAOYSA-N	-1	3	361.409	2.177	20	30		FEEDHM
COc1ccc(Cn2c(C)nnc2-c2cccc(-c3nnn[n-]3)c2)cc1C#N	ZINC000826208544	607548005	/nfs/dbraw/zinc/54/80/05/607548005.db2.gz	PQQNYJCBYSPIDA-UHFFFAOYSA-N	-1	3	372.392	2.362	20	30		FEEDHM
COc1ccc(Cn2c(C)nnc2-c2cccc(-c3nn[n-]n3)c2)cc1C#N	ZINC000826208544	607548006	/nfs/dbraw/zinc/54/80/06/607548006.db2.gz	PQQNYJCBYSPIDA-UHFFFAOYSA-N	-1	3	372.392	2.362	20	30		FEEDHM
C=C(C)CN1CCC(NC(=O)N[C@@H](C)[C@@H]2CCCN(C(=O)[O-])C2)CC1	ZINC000738485729	602680041	/nfs/dbraw/zinc/68/00/41/602680041.db2.gz	PUIDKWXYHRETCJ-LSDHHAIUSA-N	-1	3	352.479	2.105	20	30		FEEDHM
C=CCNC(=O)c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)cc2C)cc1	ZINC000823926093	607665967	/nfs/dbraw/zinc/66/59/67/607665967.db2.gz	ZECGIXRODDTVPA-UHFFFAOYSA-N	-1	3	362.393	2.343	20	30		FEEDHM
C=CCNC(=O)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1	ZINC000823926093	607665968	/nfs/dbraw/zinc/66/59/68/607665968.db2.gz	ZECGIXRODDTVPA-UHFFFAOYSA-N	-1	3	362.393	2.343	20	30		FEEDHM
CCOC(=O)Nc1ccc(NC(=O)N(C)C[C@@H](C)C#N)cc1-c1nnn[n-]1	ZINC000825532840	607765342	/nfs/dbraw/zinc/76/53/42/607765342.db2.gz	XSZRFELBCLCJNK-JTQLQIEISA-N	-1	3	372.389	2.058	20	30		FEEDHM
CCOC(=O)Nc1ccc(NC(=O)N(C)C[C@@H](C)C#N)cc1-c1nn[n-]n1	ZINC000825532840	607765343	/nfs/dbraw/zinc/76/53/43/607765343.db2.gz	XSZRFELBCLCJNK-JTQLQIEISA-N	-1	3	372.389	2.058	20	30		FEEDHM
C=CCN(Cc1nc([C@@H](C)OC)no1)Cc1cccc(-c2nnn[n-]2)c1	ZINC000819745465	606158987	/nfs/dbraw/zinc/15/89/87/606158987.db2.gz	DYWXMZFNLCMOJC-GFCCVEGCSA-N	-1	3	355.402	2.145	20	30		FEEDHM
C=CCN(Cc1nc([C@@H](C)OC)no1)Cc1cccc(-c2nn[n-]n2)c1	ZINC000819745465	606158989	/nfs/dbraw/zinc/15/89/89/606158989.db2.gz	DYWXMZFNLCMOJC-GFCCVEGCSA-N	-1	3	355.402	2.145	20	30		FEEDHM
N#Cc1ccc(S[C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)nc1	ZINC000822833568	606311256	/nfs/dbraw/zinc/31/12/56/606311256.db2.gz	RTUBKHPYJUQHTR-NSHDSACASA-N	-1	3	369.435	2.092	20	30		FEEDHM
N#Cc1ccc(S[C@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)nc1	ZINC000822833568	606311257	/nfs/dbraw/zinc/31/12/57/606311257.db2.gz	RTUBKHPYJUQHTR-NSHDSACASA-N	-1	3	369.435	2.092	20	30		FEEDHM
C#CCN(CC#C)C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1	ZINC000819697810	606458935	/nfs/dbraw/zinc/45/89/35/606458935.db2.gz	LGXCEDNRXOAKEP-UHFFFAOYSA-N	-1	3	356.389	2.319	20	30		FEEDHM
C#CCN(CC#C)C(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1	ZINC000819697954	606459193	/nfs/dbraw/zinc/45/91/93/606459193.db2.gz	PFIAWECRRXWXQC-UHFFFAOYSA-N	-1	3	371.400	2.154	20	30		FEEDHM
C#CCN(CC#C)C(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1	ZINC000819697954	606459194	/nfs/dbraw/zinc/45/91/94/606459194.db2.gz	PFIAWECRRXWXQC-UHFFFAOYSA-N	-1	3	371.400	2.154	20	30		FEEDHM
CCNc1ccc(C#N)cc1NCC(=O)Nc1cccc(-c2nnn[n-]2)c1	ZINC000821310561	606600340	/nfs/dbraw/zinc/60/03/40/606600340.db2.gz	ZPHHJVXTLQGMJL-UHFFFAOYSA-N	-1	3	362.397	2.221	20	30		FEEDHM
CCNc1ccc(C#N)cc1NCC(=O)Nc1cccc(-c2nn[n-]n2)c1	ZINC000821310561	606600343	/nfs/dbraw/zinc/60/03/43/606600343.db2.gz	ZPHHJVXTLQGMJL-UHFFFAOYSA-N	-1	3	362.397	2.221	20	30		FEEDHM
N#Cc1cc(NC(=O)COC/C=C\c2ccccc2)ccc1-c1nnn[n-]1	ZINC000822823439	606958036	/nfs/dbraw/zinc/95/80/36/606958036.db2.gz	QCTYGPJLNYBZGP-DAXSKMNVSA-N	-1	3	360.377	2.407	20	30		FEEDHM
N#Cc1cc(NC(=O)COC/C=C\c2ccccc2)ccc1-c1nn[n-]n1	ZINC000822823439	606958037	/nfs/dbraw/zinc/95/80/37/606958037.db2.gz	QCTYGPJLNYBZGP-DAXSKMNVSA-N	-1	3	360.377	2.407	20	30		FEEDHM
CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1cccc(C#N)c1	ZINC000819997678	606991700	/nfs/dbraw/zinc/99/17/00/606991700.db2.gz	YYOYEZBZLBZVSA-UHFFFAOYSA-N	-1	3	362.393	2.212	20	30		FEEDHM
CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1cccc(C#N)c1	ZINC000819997678	606991702	/nfs/dbraw/zinc/99/17/02/606991702.db2.gz	YYOYEZBZLBZVSA-UHFFFAOYSA-N	-1	3	362.393	2.212	20	30		FEEDHM
COc1ccc(CN=Nc2ncnc3ccsc32)cc1-c1nnn[n-]1	ZINC000821786301	606995771	/nfs/dbraw/zinc/99/57/71/606995771.db2.gz	CSUKZZAUZKWPKX-UHFFFAOYSA-N	-1	3	352.383	2.326	20	30		FEEDHM
COc1ccc(CN=Nc2ncnc3ccsc32)cc1-c1nn[n-]n1	ZINC000821786301	606995772	/nfs/dbraw/zinc/99/57/72/606995772.db2.gz	CSUKZZAUZKWPKX-UHFFFAOYSA-N	-1	3	352.383	2.326	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2ccnc(Br)c2)cc1-c1nnn[n-]1	ZINC000822830046	607019390	/nfs/dbraw/zinc/01/93/90/607019390.db2.gz	SYGALAIDVYHUFB-UHFFFAOYSA-N	-1	3	370.170	2.148	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2ccnc(Br)c2)cc1-c1nn[n-]n1	ZINC000822830046	607019392	/nfs/dbraw/zinc/01/93/92/607019392.db2.gz	SYGALAIDVYHUFB-UHFFFAOYSA-N	-1	3	370.170	2.148	20	30		FEEDHM
N#Cc1ccc(NCC(=O)NCc2cccc(-c3nnn[n-]3)c2)c(Cl)c1	ZINC000822829805	607125271	/nfs/dbraw/zinc/12/52/71/607125271.db2.gz	KGPJMMIUNVVLND-UHFFFAOYSA-N	-1	3	367.800	2.120	20	30		FEEDHM
N#Cc1ccc(NCC(=O)NCc2cccc(-c3nn[n-]n3)c2)c(Cl)c1	ZINC000822829805	607125272	/nfs/dbraw/zinc/12/52/72/607125272.db2.gz	KGPJMMIUNVVLND-UHFFFAOYSA-N	-1	3	367.800	2.120	20	30		FEEDHM
N#Cc1ccc(NCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)c(Cl)c1	ZINC000822830229	607125300	/nfs/dbraw/zinc/12/53/00/607125300.db2.gz	XYSUPNAYPGQLQS-UHFFFAOYSA-N	-1	3	353.773	2.442	20	30		FEEDHM
N#Cc1ccc(NCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1	ZINC000822830229	607125301	/nfs/dbraw/zinc/12/53/01/607125301.db2.gz	XYSUPNAYPGQLQS-UHFFFAOYSA-N	-1	3	353.773	2.442	20	30		FEEDHM
C#CCOc1ccccc1OCc1cccc(C(=O)OC)c1-c1nnn[n-]1	ZINC000823861833	607889797	/nfs/dbraw/zinc/88/97/97/607889797.db2.gz	RPKVKZPWKIIHET-UHFFFAOYSA-N	-1	3	364.361	2.244	20	30		FEEDHM
C#CCOc1ccccc1OCc1cccc(C(=O)OC)c1-c1nn[n-]n1	ZINC000823861833	607889798	/nfs/dbraw/zinc/88/97/98/607889798.db2.gz	RPKVKZPWKIIHET-UHFFFAOYSA-N	-1	3	364.361	2.244	20	30		FEEDHM
C#CC[C@@H](NS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1)c1ccccc1	ZINC000823839037	607937684	/nfs/dbraw/zinc/93/76/84/607937684.db2.gz	YVFZRLRBWLQMRL-OAHLLOKOSA-N	-1	3	371.397	2.049	20	30		FEEDHM
Cc1cc(C)c(C#N)c(N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)n1	ZINC000826263252	608052296	/nfs/dbraw/zinc/05/22/96/608052296.db2.gz	RIDRPDGCGYHHSK-QGZVFWFLSA-N	-1	3	361.409	2.328	20	30		FEEDHM
Cc1cc(C)c(C#N)c(N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)n1	ZINC000826263252	608052297	/nfs/dbraw/zinc/05/22/97/608052297.db2.gz	RIDRPDGCGYHHSK-QGZVFWFLSA-N	-1	3	361.409	2.328	20	30		FEEDHM
CCN(C[C@H](C)C#N)[C@@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1	ZINC000825399359	608154367	/nfs/dbraw/zinc/15/43/67/608154367.db2.gz	QYNMLDXEUNKQHU-MNOVXSKESA-N	-1	3	361.837	2.329	20	30		FEEDHM
CCN(C[C@H](C)C#N)[C@@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1	ZINC000825399359	608154368	/nfs/dbraw/zinc/15/43/68/608154368.db2.gz	QYNMLDXEUNKQHU-MNOVXSKESA-N	-1	3	361.837	2.329	20	30		FEEDHM
CCn1c2ccc(C#N)cc2nc1NC(=O)c1ccc(-c2nnn[n-]2)cc1	ZINC000825793024	608174347	/nfs/dbraw/zinc/17/43/47/608174347.db2.gz	JNGNAJUXUFHAMH-UHFFFAOYSA-N	-1	3	358.365	2.360	20	30		FEEDHM
CCn1c2ccc(C#N)cc2nc1NC(=O)c1ccc(-c2nn[n-]n2)cc1	ZINC000825793024	608174348	/nfs/dbraw/zinc/17/43/48/608174348.db2.gz	JNGNAJUXUFHAMH-UHFFFAOYSA-N	-1	3	358.365	2.360	20	30		FEEDHM
N#Cc1ccc2nc(NCCNc3ncccc3-c3nnn[n-]3)ccc2c1	ZINC000826386771	608223519	/nfs/dbraw/zinc/22/35/19/608223519.db2.gz	SEBVELRBFQSMKO-UHFFFAOYSA-N	-1	3	357.381	2.206	20	30		FEEDHM
N#Cc1ccc2nc(NCCNc3ncccc3-c3nn[n-]n3)ccc2c1	ZINC000826386771	608223520	/nfs/dbraw/zinc/22/35/20/608223520.db2.gz	SEBVELRBFQSMKO-UHFFFAOYSA-N	-1	3	357.381	2.206	20	30		FEEDHM
C=CCN(C(=O)NCCSCc1ccccc1-c1nnn[n-]1)C1CC1	ZINC000823903975	608269323	/nfs/dbraw/zinc/26/93/23/608269323.db2.gz	PTEORMJXYQXFJR-UHFFFAOYSA-N	-1	3	358.471	2.460	20	30		FEEDHM
C=CCN(C(=O)NCCSCc1ccccc1-c1nn[n-]n1)C1CC1	ZINC000823903975	608269325	/nfs/dbraw/zinc/26/93/25/608269325.db2.gz	PTEORMJXYQXFJR-UHFFFAOYSA-N	-1	3	358.471	2.460	20	30		FEEDHM
CON=Cc1ccc(C(=O)OCc2cccc(-c3nnn[n-]3)c2F)cc1	ZINC000826166336	608435228	/nfs/dbraw/zinc/43/52/28/608435228.db2.gz	GPCIHDMKHGOREB-UHFFFAOYSA-N	-1	3	355.329	2.343	20	30		FEEDHM
CON=Cc1ccc(C(=O)OCc2cccc(-c3nn[n-]n3)c2F)cc1	ZINC000826166336	608435230	/nfs/dbraw/zinc/43/52/30/608435230.db2.gz	GPCIHDMKHGOREB-UHFFFAOYSA-N	-1	3	355.329	2.343	20	30		FEEDHM
C[C@H](Oc1ccccc1C#N)C(=O)OCc1cccc(-c2nnn[n-]2)c1F	ZINC000824757440	608441065	/nfs/dbraw/zinc/44/10/65/608441065.db2.gz	WUXCNANSWLPZHI-NSHDSACASA-N	-1	3	367.340	2.388	20	30		FEEDHM
C[C@H](Oc1ccccc1C#N)C(=O)OCc1cccc(-c2nn[n-]n2)c1F	ZINC000824757440	608441066	/nfs/dbraw/zinc/44/10/66/608441066.db2.gz	WUXCNANSWLPZHI-NSHDSACASA-N	-1	3	367.340	2.388	20	30		FEEDHM
C#CCN(Cc1cnc2ccc(-c3nnn[n-]3)cn12)Cc1ccc(F)cc1	ZINC000823849936	608634616	/nfs/dbraw/zinc/63/46/16/608634616.db2.gz	DGEPZRASFXXSMA-UHFFFAOYSA-N	-1	3	361.384	2.289	20	30		FEEDHM
C#CCN(Cc1cnc2ccc(-c3nn[n-]n3)cn12)Cc1ccc(F)cc1	ZINC000823849936	608634617	/nfs/dbraw/zinc/63/46/17/608634617.db2.gz	DGEPZRASFXXSMA-UHFFFAOYSA-N	-1	3	361.384	2.289	20	30		FEEDHM
C#CCCCCCC(=O)O[C@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1	ZINC000823842017	609133077	/nfs/dbraw/zinc/13/30/77/609133077.db2.gz	XGSWMPNMKMMMKA-CYBMUJFWSA-N	-1	3	355.398	2.321	20	30		FEEDHM
C#CCCCCCC(=O)O[C@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1	ZINC000823842017	609133080	/nfs/dbraw/zinc/13/30/80/609133080.db2.gz	XGSWMPNMKMMMKA-CYBMUJFWSA-N	-1	3	355.398	2.321	20	30		FEEDHM
CCC(CC)CN(CCC#N)C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1	ZINC000825106469	609223792	/nfs/dbraw/zinc/22/37/92/609223792.db2.gz	CUOKWKFUDPONGT-MRXNPFEDSA-N	-1	3	356.430	2.079	20	30		FEEDHM
CCC(CC)CN(CCC#N)C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1	ZINC000825106469	609223794	/nfs/dbraw/zinc/22/37/94/609223794.db2.gz	CUOKWKFUDPONGT-MRXNPFEDSA-N	-1	3	356.430	2.079	20	30		FEEDHM
C[C@H](C#N)Oc1ccccc1NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl	ZINC000824034085	609263530	/nfs/dbraw/zinc/26/35/30/609263530.db2.gz	GYKKKAUBFAALNT-SECBINFHSA-N	-1	3	369.772	2.458	20	30		FEEDHM
C[C@H](C#N)Oc1ccccc1NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl	ZINC000824034085	609263532	/nfs/dbraw/zinc/26/35/32/609263532.db2.gz	GYKKKAUBFAALNT-SECBINFHSA-N	-1	3	369.772	2.458	20	30		FEEDHM
O=C(C=Cc1ccc(-n2cncn2)cc1)c1ccc(-c2nnn[n-]2)cc1F	ZINC000826399994	609270394	/nfs/dbraw/zinc/27/03/94/609270394.db2.gz	MIWFKUDXPWPXOM-BAQGIRSFSA-N	-1	3	361.340	2.483	20	30		FEEDHM
O=C(C=Cc1ccc(-n2cncn2)cc1)c1ccc(-c2nn[n-]n2)cc1F	ZINC000826399994	609270396	/nfs/dbraw/zinc/27/03/96/609270396.db2.gz	MIWFKUDXPWPXOM-BAQGIRSFSA-N	-1	3	361.340	2.483	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2cc(OCC(F)F)ccn2)cc1-c1nnn[n-]1	ZINC000826385473	609320966	/nfs/dbraw/zinc/32/09/66/609320966.db2.gz	NYVMYFDFKIHDKD-UHFFFAOYSA-N	-1	3	371.307	2.030	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2cc(OCC(F)F)ccn2)cc1-c1nn[n-]n1	ZINC000826385473	609320968	/nfs/dbraw/zinc/32/09/68/609320968.db2.gz	NYVMYFDFKIHDKD-UHFFFAOYSA-N	-1	3	371.307	2.030	20	30		FEEDHM
C=C(C)CN(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1	ZINC000823877662	609328179	/nfs/dbraw/zinc/32/81/79/609328179.db2.gz	CLPAJUMPFPTYJG-UHFFFAOYSA-N	-1	3	361.349	2.082	20	30		FEEDHM
C=C(C)CN(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1	ZINC000823877662	609328181	/nfs/dbraw/zinc/32/81/81/609328181.db2.gz	CLPAJUMPFPTYJG-UHFFFAOYSA-N	-1	3	361.349	2.082	20	30		FEEDHM
N#Cc1ccc(COC(=O)c2cc(-c3nnn[n-]3)c[nH]2)c(Br)c1	ZINC000826385042	609348679	/nfs/dbraw/zinc/34/86/79/609348679.db2.gz	UWGCDNSMGSDTGK-UHFFFAOYSA-N	-1	3	373.170	2.186	20	30		FEEDHM
N#Cc1ccc(COC(=O)c2cc(-c3nn[n-]n3)c[nH]2)c(Br)c1	ZINC000826385042	609348681	/nfs/dbraw/zinc/34/86/81/609348681.db2.gz	UWGCDNSMGSDTGK-UHFFFAOYSA-N	-1	3	373.170	2.186	20	30		FEEDHM
COCCOc1ccc(-c2nnn[n-]2)cc1NCc1cccc(C#N)c1	ZINC000826162849	609484079	/nfs/dbraw/zinc/48/40/79/609484079.db2.gz	UUMFWUXLGPVCQH-UHFFFAOYSA-N	-1	3	350.382	2.376	20	30		FEEDHM
COCCOc1ccc(-c2nn[n-]n2)cc1NCc1cccc(C#N)c1	ZINC000826162849	609484081	/nfs/dbraw/zinc/48/40/81/609484081.db2.gz	UUMFWUXLGPVCQH-UHFFFAOYSA-N	-1	3	350.382	2.376	20	30		FEEDHM
Cc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C	ZINC000826277450	609541801	/nfs/dbraw/zinc/54/18/01/609541801.db2.gz	VHZMCHTVAOURNQ-GOSISDBHSA-N	-1	3	370.413	2.375	20	30		FEEDHM
Cc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C	ZINC000826277450	609541804	/nfs/dbraw/zinc/54/18/04/609541804.db2.gz	VHZMCHTVAOURNQ-GOSISDBHSA-N	-1	3	370.413	2.375	20	30		FEEDHM
Cc1c(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)cccc1-c1nnn[n-]1	ZINC000826241158	609597946	/nfs/dbraw/zinc/59/79/46/609597946.db2.gz	SWTSRWRJHVDGQB-GOSISDBHSA-N	-1	3	370.413	2.375	20	30		FEEDHM
Cc1c(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)cccc1-c1nn[n-]n1	ZINC000826241158	609597948	/nfs/dbraw/zinc/59/79/48/609597948.db2.gz	SWTSRWRJHVDGQB-GOSISDBHSA-N	-1	3	370.413	2.375	20	30		FEEDHM
C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1ccc(Br)s1	ZINC000644865154	677250444	/nfs/dbraw/zinc/25/04/44/677250444.db2.gz	YIRADSLDXCSGMQ-IUCAKERBSA-N	-1	3	352.275	2.380	20	30		FEEDHM
CCn1nncc1C([O-])=C(C#N)C(=O)Nc1cc(C)c(Cl)cc1OC	ZINC000815907790	674983758	/nfs/dbraw/zinc/98/37/58/674983758.db2.gz	KMSXPJSOAXCCGY-SNVBAGLBSA-N	-1	3	361.789	2.230	20	30		FEEDHM
C[C@H](Sc1ccc(Br)cc1)C(=O)N[C@H]1CCN([O-])C1=O	ZINC000816692532	675073258	/nfs/dbraw/zinc/07/32/58/675073258.db2.gz	QCCRLYOUEOVHDI-KWQFWETISA-N	-1	3	359.245	2.036	20	30		FEEDHM
Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N[C@H]1CCCN([O-])C1=O	ZINC000816757396	675077928	/nfs/dbraw/zinc/07/79/28/675077928.db2.gz	RHUQHDVPIORYDW-ZDUSSCGKSA-N	-1	3	363.414	2.291	20	30		FEEDHM
Cc1cc(CSc2ccccc2C(=O)N[C@H]2CCCN([O-])C2=O)on1	ZINC000816756805	675078216	/nfs/dbraw/zinc/07/82/16/675078216.db2.gz	FOJIVWNVUWWJMI-AWEZNQCLSA-N	-1	3	361.423	2.385	20	30		FEEDHM
CCOC(=O)c1c(NC([O-])=NO[C@@H]2CCCCO2)c(C#N)cn1CC	ZINC000817357147	675124559	/nfs/dbraw/zinc/12/45/59/675124559.db2.gz	GHMJVJCMFLBBHJ-GFCCVEGCSA-N	-1	3	350.375	2.136	20	30		FEEDHM
CCOC(=O)c1c(NC(=O)[N-]O[C@@H]2CCCCO2)c(C#N)cn1CC	ZINC000817357147	675124561	/nfs/dbraw/zinc/12/45/61/675124561.db2.gz	GHMJVJCMFLBBHJ-GFCCVEGCSA-N	-1	3	350.375	2.136	20	30		FEEDHM
N#CCc1ccccc1NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1	ZINC000575955402	671333572	/nfs/dbraw/zinc/33/35/72/671333572.db2.gz	HUJIPWFLTQNRQL-UHFFFAOYSA-N	-1	3	369.855	2.385	20	30		FEEDHM
COC(=O)[C@@H]([N-]S(=O)(=O)CCC(C)(C)C#N)c1ccc(Cl)cc1	ZINC000576235749	671353981	/nfs/dbraw/zinc/35/39/81/671353981.db2.gz	AJXOZECBTSGWTH-ZDUSSCGKSA-N	-1	3	358.847	2.413	20	30		FEEDHM
CC(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@@](C)(C#N)C(C)C)ccc1F	ZINC000126502208	672025559	/nfs/dbraw/zinc/02/55/59/672025559.db2.gz	GVVLDAWCTLUQHJ-INIZCTEOSA-N	-1	3	355.435	2.180	20	30		FEEDHM
COC(=O)c1c(F)cccc1S(=O)(=O)[N-]Cc1ccc(C#N)cc1F	ZINC000178537499	672392253	/nfs/dbraw/zinc/39/22/53/672392253.db2.gz	GYUNUNVLKMDTOY-UHFFFAOYSA-N	-1	3	366.345	2.102	20	30		FEEDHM
CC(=O)Nc1ncc(S(=O)(=O)[N-][C@H](C)c2cccc(C#N)c2)s1	ZINC000588117010	672450735	/nfs/dbraw/zinc/45/07/35/672450735.db2.gz	PIYREKKCTAFRDW-SECBINFHSA-N	-1	3	350.425	2.013	20	30		FEEDHM
COC(=O)[C@H](CC(C)(C)C)[N-]S(=O)(=O)Cc1ccc(CC#N)cc1	ZINC000592072851	672747499	/nfs/dbraw/zinc/74/74/99/672747499.db2.gz	ATIBKWDDBZULCM-HNNXBMFYSA-N	-1	3	352.456	2.150	20	30		FEEDHM
CC(C)(C)n1cc(C#N)c([N-]C(=O)c2nscc2Br)n1	ZINC000593080097	672872870	/nfs/dbraw/zinc/87/28/70/672872870.db2.gz	FCMQDGBDJVNXMJ-UHFFFAOYSA-N	-1	3	354.233	2.981	20	30		FEEDHM
COc1ccc([C@@H](CN(C)C)[N-]S(=O)(=O)c2ccsc2C#N)cc1	ZINC000593593705	672953499	/nfs/dbraw/zinc/95/34/99/672953499.db2.gz	YRMQKJFLSXHRIU-CQSZACIVSA-N	-1	3	365.480	2.210	20	30		FEEDHM
COc1ccc(NC(=S)NN=Cc2c([O-])c(C)ncc2CO)cc1F	ZINC000727260954	673163297	/nfs/dbraw/zinc/16/32/97/673163297.db2.gz	IAURVEKNBIDXJQ-UHFFFAOYSA-N	-1	3	364.402	2.056	20	30		FEEDHM
C#CC[C@@H](CCOC)[N-]S(=O)(=O)c1ccc(Br)s1	ZINC000859426950	683108084	/nfs/dbraw/zinc/10/80/84/683108084.db2.gz	ZWZIVQQZCXHTPV-VIFPVBQESA-N	-1	3	352.275	2.217	20	30		FEEDHM
N#CC1(CS(=O)(=O)[N-][C@H](CO)c2ccc(F)cc2F)CCCCC1	ZINC000595384850	673239327	/nfs/dbraw/zinc/23/93/27/673239327.db2.gz	QFORGTCHYSTHDH-OAHLLOKOSA-N	-1	3	358.410	2.392	20	30		FEEDHM
CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CC[C@](C)(C#N)C2)cc1OC	ZINC000596486729	673389241	/nfs/dbraw/zinc/38/92/41/673389241.db2.gz	PCMRGCQVOWMSOO-MRXNPFEDSA-N	-1	3	366.443	2.224	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)OCCCOC(C)C)ccc1F	ZINC000733437860	673417357	/nfs/dbraw/zinc/41/73/57/673417357.db2.gz	NORYKLDBGVNOLT-UHFFFAOYSA-N	-1	3	359.419	2.262	20	30		FEEDHM
CCOC(=O)c1ccc(C[N-]S(=O)(=O)CC2(C#N)CCCCC2)o1	ZINC000613930613	676153676	/nfs/dbraw/zinc/15/36/76/676153676.db2.gz	BDPFLOZNRLIXKB-UHFFFAOYSA-N	-1	3	354.428	2.350	20	30		FEEDHM
CCN(C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)[C@H](C)C#N	ZINC000598352980	673562137	/nfs/dbraw/zinc/56/21/37/673562137.db2.gz	NIXYTPVLGLESMZ-LLVKDONJSA-N	-1	3	364.402	2.329	20	30		FEEDHM
N#CC1(CS(=O)(=O)[N-][C@@H]2CCCN(c3ccccc3)C2=O)CCCC1	ZINC000544724393	673728721	/nfs/dbraw/zinc/72/87/21/673728721.db2.gz	JQNYHVQMBHNJAE-MRXNPFEDSA-N	-1	3	361.467	2.185	20	30		FEEDHM
CC(C)N(CC1CC1)C(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000742536576	673729928	/nfs/dbraw/zinc/72/99/28/673729928.db2.gz	OJPIGTWZQRECER-CYBMUJFWSA-N	-1	3	363.483	2.151	20	30		FEEDHM
C[C@H](CC(=O)N1CCC(C)(C)CC1)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000742618596	673732506	/nfs/dbraw/zinc/73/25/06/673732506.db2.gz	ILLGUBRRCGPILR-CYBMUJFWSA-N	-1	3	363.483	2.152	20	30		FEEDHM
CCOc1cccc(C=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)c1	ZINC000746492497	673881547	/nfs/dbraw/zinc/88/15/47/673881547.db2.gz	UISWVPLTOSCRHF-UHFFFAOYSA-N	-1	3	363.395	2.447	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)OCc2nccs2)ccc1F	ZINC000747023337	673901920	/nfs/dbraw/zinc/90/19/20/673901920.db2.gz	VFYWVOVWHBIRJS-UHFFFAOYSA-N	-1	3	356.400	2.104	20	30		FEEDHM
Cc1nc2c(c(=O)[n-]1)CN(C(=O)Cc1ccc(Br)cc1C#N)C2	ZINC000602195613	673903145	/nfs/dbraw/zinc/90/31/45/673903145.db2.gz	OKXMPGBSXCOJJO-UHFFFAOYSA-N	-1	3	373.210	2.210	20	30		FEEDHM
C[C@H](CN1CCC(C)CC1)[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000567368398	675287952	/nfs/dbraw/zinc/28/79/52/675287952.db2.gz	VATUSXLMIOMELO-GFCCVEGCSA-N	-1	3	357.426	2.235	20	30		FEEDHM
C[C@@H](CN1CCC(C)CC1)[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000567368399	675288029	/nfs/dbraw/zinc/28/80/29/675288029.db2.gz	VATUSXLMIOMELO-LBPRGKRZSA-N	-1	3	357.426	2.235	20	30		FEEDHM
C[C@@H](CC(=O)N[C@@H]1CCN([O-])C1=O)c1ccc(F)c(Br)c1	ZINC000820137042	675338904	/nfs/dbraw/zinc/33/89/04/675338904.db2.gz	JUJVFSUQEXRYQY-QPUJVOFHSA-N	-1	3	359.195	2.188	20	30		FEEDHM
O=C(N[C@H]1CCN([O-])C1=O)C1(c2ccc(Br)cc2)CCCC1	ZINC000820185062	675342204	/nfs/dbraw/zinc/34/22/04/675342204.db2.gz	HOXAAWYEGZQDMY-ZDUSSCGKSA-N	-1	3	367.243	2.367	20	30		FEEDHM
O=C(Nc1ccccc1C(=O)N[C@H]1CCCN([O-])C1=O)c1ccsc1	ZINC000820482587	675365207	/nfs/dbraw/zinc/36/52/07/675365207.db2.gz	NUCMLYJXCITFIJ-AWEZNQCLSA-N	-1	3	359.407	2.110	20	30		FEEDHM
O=C(N[C@@H]1CCCN([O-])C1=O)c1cc2ccc(Br)cc2[nH]1	ZINC000820482713	675365337	/nfs/dbraw/zinc/36/53/37/675365337.db2.gz	QMEBNKYOILHYCY-SNVBAGLBSA-N	-1	3	352.188	2.040	20	30		FEEDHM
N#CCCN(CC(F)(F)F)C(=O)CCc1ccc(-c2nnn[n-]2)cc1	ZINC000822806975	675508270	/nfs/dbraw/zinc/50/82/70/675508270.db2.gz	XLGCEKRYVAHOFB-UHFFFAOYSA-N	-1	3	352.320	2.104	20	30		FEEDHM
N#CCCN(CC(F)(F)F)C(=O)CCc1ccc(-c2nn[n-]n2)cc1	ZINC000822806975	675508272	/nfs/dbraw/zinc/50/82/72/675508272.db2.gz	XLGCEKRYVAHOFB-UHFFFAOYSA-N	-1	3	352.320	2.104	20	30		FEEDHM
C=CCN(C(=O)c1cc([O-])cc(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1	ZINC000621932971	676481678	/nfs/dbraw/zinc/48/16/78/676481678.db2.gz	QYAVYSRLAHSXNE-LBPRGKRZSA-N	-1	3	363.357	2.226	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(-c2nc(COC3CCC3)no2)ccc1F	ZINC000634674728	677079853	/nfs/dbraw/zinc/07/98/53/677079853.db2.gz	LAMJHYLYZOCEDB-UHFFFAOYSA-N	-1	3	367.402	2.409	20	30		FEEDHM
CC(C)(C)[C@@H]1CCC[C@@H]1NC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000839890138	680786041	/nfs/dbraw/zinc/78/60/41/680786041.db2.gz	INMTVZBHSVXILF-KGLIPLIRSA-N	-1	3	363.483	2.056	20	30		FEEDHM
C=CCOc1ccc(COC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C)cc1	ZINC000763643548	680788551	/nfs/dbraw/zinc/78/85/51/680788551.db2.gz	HAJDBSRHBBQJQW-OAHLLOKOSA-N	-1	3	355.456	2.259	20	30		FEEDHM
C[C@@]1(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC1(Cl)Cl	ZINC000832147281	680101918	/nfs/dbraw/zinc/10/19/18/680101918.db2.gz	FNOKDXOOKNBCNR-NSHDSACASA-N	-1	3	364.210	2.329	20	30		FEEDHM
O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)OCCCCC(F)(F)F	ZINC000751617926	680190123	/nfs/dbraw/zinc/19/01/23/680190123.db2.gz	GFKCFSDIZSWVEJ-UHFFFAOYSA-N	-1	3	364.345	2.001	20	30		FEEDHM
COc1c([O-])ccc(C=NN2C(=S)N=NC2C(C)(C)C)c1[N+](=O)[O-]	ZINC000834926053	680282670	/nfs/dbraw/zinc/28/26/70/680282670.db2.gz	VQMDRKCOXMODMQ-UHFFFAOYSA-N	-1	3	351.388	2.369	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccc[nH]2)ccc1F	ZINC000760417339	680686712	/nfs/dbraw/zinc/68/67/12/680686712.db2.gz	GTJOXDTXSCIZLV-LLVKDONJSA-N	-1	3	351.403	2.109	20	30		FEEDHM
COc1cc(C=NN2C(=S)N=NC2c2ccco2)c([N+](=O)[O-])cc1[O-]	ZINC000767146442	680900675	/nfs/dbraw/zinc/90/06/75/680900675.db2.gz	PZRHDJUEGNCKBC-UHFFFAOYSA-N	-1	3	361.339	2.331	20	30		FEEDHM
Cc1ccc(COC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)c(C)c1	ZINC000770114356	681006064	/nfs/dbraw/zinc/00/60/64/681006064.db2.gz	DQWNHHPAUIBNHI-UHFFFAOYSA-N	-1	3	358.419	2.085	20	30		FEEDHM
C#CCOc1cccc([C@H](C)OC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C)c1	ZINC000771600701	681062160	/nfs/dbraw/zinc/06/21/60/681062160.db2.gz	WKDRCDYQFJGZKI-BBRMVZONSA-N	-1	3	367.467	2.267	20	30		FEEDHM
O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)Nc1ccc(C2CC2)cc1	ZINC000772173605	681088459	/nfs/dbraw/zinc/08/84/59/681088459.db2.gz	BZIRRRKCLUULSY-UHFFFAOYSA-N	-1	3	355.419	2.241	20	30		FEEDHM
C[C@H](CC(=O)N1CCC12CCCC2)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000846305347	681223485	/nfs/dbraw/zinc/22/34/85/681223485.db2.gz	JMSJASRBLFAITP-CYBMUJFWSA-N	-1	3	361.467	2.049	20	30		FEEDHM
C=C[C@H](C)O[N-]C(=O)CCc1c(C)nc2nc(C(F)(F)F)nn2c1C	ZINC000846543983	681257889	/nfs/dbraw/zinc/25/78/89/681257889.db2.gz	TZGNQXNQCROMSX-QMMMGPOBSA-N	-1	3	357.336	2.315	20	30		FEEDHM
C[C@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)N[C@@H]1CCCN([O-])C1=O	ZINC000848131484	681477604	/nfs/dbraw/zinc/47/76/04/681477604.db2.gz	HDJOZQXMDVIBRK-ZWNOBZJWSA-N	-1	3	360.332	2.260	20	30		FEEDHM
O=C(N[C@@H]1CCCN([O-])C1=O)[C@@H]1C[C@H]1c1ccc(Br)cc1	ZINC000848132411	681478159	/nfs/dbraw/zinc/47/81/59/681478159.db2.gz	QTOFGRVWEYFQEI-YNEHKIRRSA-N	-1	3	353.216	2.049	20	30		FEEDHM
N#CC1(C(=O)[N-]N2C(=O)c3ccc(Br)cc3C2=O)CCCC1	ZINC000848271198	681506246	/nfs/dbraw/zinc/50/62/46/681506246.db2.gz	BHGREBSWRDYYQP-UHFFFAOYSA-N	-1	3	362.183	2.160	20	30		FEEDHM
CSc1nnc(C[N-]S(=O)(=O)Cc2c(C)cc(C#N)cc2C)s1	ZINC000914416638	685507334	/nfs/dbraw/zinc/50/73/34/685507334.db2.gz	VXQXEJSTGYYOGI-UHFFFAOYSA-N	-1	3	368.509	2.368	20	30		FEEDHM
CCC(F)(F)COC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000851491249	682074757	/nfs/dbraw/zinc/07/47/57/682074757.db2.gz	QYTGEUGPERUGLI-JTQLQIEISA-N	-1	3	360.382	2.092	20	30		FEEDHM
C[C@@H](CC(=O)OCCC1CCC1)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000783448506	682145998	/nfs/dbraw/zinc/14/59/98/682145998.db2.gz	OSPDETKZWLIGOS-LBPRGKRZSA-N	-1	3	350.440	2.237	20	30		FEEDHM
C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cc(C(=O)OCC)ccc1F	ZINC000795973345	683113631	/nfs/dbraw/zinc/11/36/31/683113631.db2.gz	WRHWFHPSYXKCQN-CZUORRHYSA-N	-1	3	371.430	2.262	20	30		FEEDHM
C#CCC[C@@H](O)C[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F	ZINC000795978039	683114252	/nfs/dbraw/zinc/11/42/52/683114252.db2.gz	UWZBWNRWRJLNRF-SNVBAGLBSA-N	-1	3	355.765	2.411	20	30		FEEDHM
N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1cnn2c1OCCC2	ZINC000796746597	683192243	/nfs/dbraw/zinc/19/22/43/683192243.db2.gz	NYJSXHZSGWUZNC-SNVBAGLBSA-N	-1	3	362.748	2.419	20	30		FEEDHM
CCS(=O)(CC)=NS(=O)(=O)[N-]C(C)(C)Cc1ccc(C#N)cc1	ZINC000921447224	683471498	/nfs/dbraw/zinc/47/14/98/683471498.db2.gz	BKWXHVVYGCWFRZ-UHFFFAOYSA-N	-1	3	357.501	2.222	20	30		FEEDHM
CN(C)[C@@H](CC[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C(F)(F)F	ZINC000921633237	683527296	/nfs/dbraw/zinc/52/72/96/683527296.db2.gz	JSWLCNHKKCICQZ-LBPRGKRZSA-N	-1	3	369.796	2.373	20	30		FEEDHM
C=CC[C@H]1CCN(C(=O)C[C@@H](C)[N-]S(=O)(=O)c2cccnc2Cl)C1	ZINC000862543255	683600014	/nfs/dbraw/zinc/60/00/14/683600014.db2.gz	FXOVCXKCBNAHGL-OLZOCXBDSA-N	-1	3	371.890	2.217	20	30		FEEDHM
C#CCNC(=S)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21	ZINC000865260966	683958644	/nfs/dbraw/zinc/95/86/44/683958644.db2.gz	LKOUNWKBGOMELB-NSHDSACASA-N	-1	3	355.385	2.167	20	30		FEEDHM
C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1cc2nc(Cl)ncc2s1	ZINC000867355412	684256213	/nfs/dbraw/zinc/25/62/13/684256213.db2.gz	BYPBQPADMLIHBD-SCZZXKLOSA-N	-1	3	359.860	2.357	20	30		FEEDHM
C=C(Cl)C[C@H](NC(=O)c1cc(OC)c([O-])c(OC)c1)C(=O)OCC	ZINC000870030066	684677230	/nfs/dbraw/zinc/67/72/30/684677230.db2.gz	ZNELVBMVYOZHRE-NSHDSACASA-N	-1	3	357.790	2.214	20	30		FEEDHM
C=CCONC(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21	ZINC000875649232	686056902	/nfs/dbraw/zinc/05/69/02/686056902.db2.gz	FZJGMHDLLKKCJM-NSHDSACASA-N	-1	3	357.332	2.486	20	30		FEEDHM
O=C(Nc1c(F)cc(Br)cc1F)N[C@@H]1CCCN([O-])C1=O	ZINC000878820689	686668225	/nfs/dbraw/zinc/66/82/25/686668225.db2.gz	TWPMYVRKWAZARH-SECBINFHSA-N	-1	3	364.146	2.229	20	30		FEEDHM
Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)N[C@@H]1CCCN([O-])C1=O	ZINC000879404685	686815579	/nfs/dbraw/zinc/81/55/79/686815579.db2.gz	OVSYWNQENLXWMS-MRVPVSSYSA-N	-1	3	369.834	2.304	20	30		FEEDHM
Cc1nc(C(C)C)sc1C(=O)C[N-]S(=O)(=O)CC1(CC#N)CC1	ZINC000882539471	687388396	/nfs/dbraw/zinc/38/83/96/687388396.db2.gz	VIARZNYICVGNNC-UHFFFAOYSA-N	-1	3	355.485	2.371	20	30		FEEDHM
[O-]c1c(F)cc(Br)cc1C=NNC1=N[C@@H]2CCCC[C@H]2N1	ZINC000884443017	687872270	/nfs/dbraw/zinc/87/22/70/687872270.db2.gz	XOGYDOAZGNDTKM-VXGBXAGGSA-N	-1	3	355.211	2.488	20	30		FEEDHM
C#CCN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CCN(C)CC1	ZINC000886574466	688278362	/nfs/dbraw/zinc/27/83/62/688278362.db2.gz	HJDQAIATAZWAFX-UHFFFAOYSA-N	-1	3	351.790	2.123	20	30		FEEDHM
N#Cc1cc(Br)ccc1CC(=O)N1CCCc2c(=O)[n-]cnc21	ZINC000893204470	689313268	/nfs/dbraw/zinc/31/32/68/689313268.db2.gz	KXLBWXVROIAJGJ-UHFFFAOYSA-N	-1	3	373.210	2.338	20	30		FEEDHM
O=C1[C@H](NCc2cc(Br)c3c(c2)OCCCO3)CCCN1[O-]	ZINC000895164688	689670003	/nfs/dbraw/zinc/67/00/03/689670003.db2.gz	HRELHSHKYFXGLW-GFCCVEGCSA-N	-1	3	371.231	2.080	20	30		FEEDHM
O=C1[C@@H](NCc2cc(Cl)ccc2OC[C@H]2CCCO2)CCCN1[O-]	ZINC000895166047	689670570	/nfs/dbraw/zinc/67/05/70/689670570.db2.gz	OQYLEHATIVGOBJ-CABCVRRESA-N	-1	3	354.834	2.368	20	30		FEEDHM
CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N(C)CCCF	ZINC000899816704	690424568	/nfs/dbraw/zinc/42/45/68/690424568.db2.gz	FUGWLZREAMCVOZ-AWEZNQCLSA-N	-1	3	369.462	2.102	20	30		FEEDHM
CCCCN([O-])C(=O)[C@H](CCSC)NS(=O)(=O)c1ccccc1	ZINC000904207140	691013357	/nfs/dbraw/zinc/01/33/57/691013357.db2.gz	RPHQJJKWAQKENS-AWEZNQCLSA-N	-1	3	360.501	2.105	20	30		FEEDHM
C#CCN1CCC(C(=O)N[C@@](CC)(C(=O)[O-])c2ccc(Cl)cc2)CC1	ZINC000909605697	691838446	/nfs/dbraw/zinc/83/84/46/691838446.db2.gz	JIJWVLPGUQQHBX-LJQANCHMSA-N	-1	3	362.857	2.491	20	30		FEEDHM
C=CCn1cccc1C([O-])=C(C#N)c1nc(N)nc(Nc2ccccc2)n1	ZINC000488196975	857290614	/nfs/dbraw/zinc/29/06/14/857290614.db2.gz	GCJACFPZXQWIQW-AWEZNQCLSA-N	-1	3	359.393	2.097	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCc1nc2ccccc2[nH]1	ZINC000012822921	539575730	/nfs/dbraw/zinc/57/57/30/539575730.db2.gz	OXFYJULNUKVVGG-UHFFFAOYSA-N	-1	3	363.421	2.031	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N=c1cc([C@H]2CCCO2)[nH][nH]1	ZINC000527499200	539706168	/nfs/dbraw/zinc/70/61/68/539706168.db2.gz	PCPFYERDTLTKQQ-OAHLLOKOSA-N	-1	3	355.398	2.422	20	30		FEEDHM
COC(=O)C[C@H]([N-]S(=O)(=O)c1ccccc1C#N)c1cccs1	ZINC000024485786	539733528	/nfs/dbraw/zinc/73/35/28/539733528.db2.gz	XNYGOTAOFFPLAJ-LBPRGKRZSA-N	-1	3	350.421	2.202	20	30		FEEDHM
Cc1cc([N-]C(=O)[C@@H](C)N2CCN(c3cccc(F)c3C#N)CC2)on1	ZINC000029859101	539866819	/nfs/dbraw/zinc/86/68/19/539866819.db2.gz	UUHYNDRMFPTRSC-CYBMUJFWSA-N	-1	3	357.389	2.143	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccccc1C(=O)N(C)C	ZINC000046276867	540250407	/nfs/dbraw/zinc/25/04/07/540250407.db2.gz	SENMMEKKYZOQFR-UHFFFAOYSA-N	-1	3	366.421	2.137	20	30		FEEDHM
Cc1ccc(C#N)cc1NC(=O)CNC(=O)c1c[n-]c2ccccc2c1=O	ZINC000064070662	541193641	/nfs/dbraw/zinc/19/36/41/541193641.db2.gz	XSLHUQYCKZHPOV-UHFFFAOYSA-N	-1	3	360.373	2.077	20	30		FEEDHM
C[C@@H](NC(=O)CCn1[n-]c(=O)c2ccccc2c1=O)c1cccc(C#N)c1	ZINC000075266652	542165287	/nfs/dbraw/zinc/16/52/87/542165287.db2.gz	DWBMCTVAEXCFRA-CYBMUJFWSA-N	-1	3	362.389	2.241	20	30		FEEDHM
C=CCCO[C@H](C)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1	ZINC000076920767	542329637	/nfs/dbraw/zinc/32/96/37/542329637.db2.gz	CRDGBYXEVWXWOO-LLVKDONJSA-N	-1	3	356.419	2.186	20	30		FEEDHM
C=CCN(Cc1cccs1)C(=O)c1cc(S(=O)(=O)[N-]C)oc1C	ZINC000081593764	542667484	/nfs/dbraw/zinc/66/74/84/542667484.db2.gz	VESNXVRBRZFDLY-UHFFFAOYSA-N	-1	3	354.453	2.386	20	30		FEEDHM
CCCC(C#N)(CCC)NC(=O)CCn1[n-]c(=O)c2ccccc2c1=O	ZINC000106422202	543229946	/nfs/dbraw/zinc/22/99/46/543229946.db2.gz	BPJHOZJQOKHKHK-UHFFFAOYSA-N	-1	3	356.426	2.059	20	30		FEEDHM
C=CC[C@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1C(F)(F)F	ZINC000116987707	543620779	/nfs/dbraw/zinc/62/07/79/543620779.db2.gz	GKMQOOABIGUCAD-QWRGUYRKSA-N	-1	3	364.389	2.453	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)c1ccc(C#N)nc1)c1noc(-c2ccccc2)n1	ZINC000128224301	544039964	/nfs/dbraw/zinc/03/99/64/544039964.db2.gz	MMZKBUGWMGYRAW-NSHDSACASA-N	-1	3	355.379	2.043	20	30		FEEDHM
COC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)c1cccs1	ZINC000151042782	544499286	/nfs/dbraw/zinc/49/92/86/544499286.db2.gz	JVHHTBHGYJIOIG-LBPRGKRZSA-N	-1	3	368.411	2.342	20	30		FEEDHM
CC(C)c1noc(CCC[N-]S(=O)(=O)c2ccc(C#N)cc2F)n1	ZINC000151108009	544505547	/nfs/dbraw/zinc/50/55/47/544505547.db2.gz	OMYPOISULYMEDR-UHFFFAOYSA-N	-1	3	352.391	2.115	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@@]3(CCSC3)C2)c(F)c1	ZINC000153008747	544722317	/nfs/dbraw/zinc/72/23/17/544722317.db2.gz	QXFPASWDXXZFPU-DOMZBBRYSA-N	-1	3	356.444	2.030	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)OC[C@H]2CCC(C)(C)O2)ccc1F	ZINC000803273684	674233136	/nfs/dbraw/zinc/23/31/36/674233136.db2.gz	RMPTVSVOTOXGNS-CYBMUJFWSA-N	-1	3	371.430	2.404	20	30		FEEDHM
Cc1cnc([C@@H](C)CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)s1	ZINC000184098789	327851051	/nfs/dbraw/zinc/85/10/51/327851051.db2.gz	KNXGGFNNKMEGNK-JTQLQIEISA-N	-1	3	358.467	2.481	20	30		FEEDHM
CCO[C@H]1C[C@@](O)(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)C1(C)C	ZINC000188480414	328089843	/nfs/dbraw/zinc/08/98/43/328089843.db2.gz	JIOMMONTKINOOR-GOEBONIOSA-N	-1	3	372.874	2.056	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(C(=O)N(C)C)cc1	ZINC000045605794	324582611	/nfs/dbraw/zinc/58/26/11/324582611.db2.gz	OOKYVVJRIDPJFT-UHFFFAOYSA-N	-1	3	366.421	2.137	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-]Cc1ccccc1Br	ZINC000232451964	328488028	/nfs/dbraw/zinc/48/80/28/328488028.db2.gz	KYYYXUYKOMVSCP-UHFFFAOYSA-N	-1	3	352.213	2.194	20	30		FEEDHM
Cc1ccc(C#N)cc1OS(=O)(=O)c1c[n-]c(C(=O)N2CCCC2)c1	ZINC000150977696	326672251	/nfs/dbraw/zinc/67/22/51/326672251.db2.gz	YKMGXLGDQIVLAV-UHFFFAOYSA-N	-1	3	359.407	2.199	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)C[C@H](O)c1cccs1	ZINC000151269473	326678434	/nfs/dbraw/zinc/67/84/34/326678434.db2.gz	PVCCOHINFYAJLB-ZBEGNZNMSA-N	-1	3	373.478	2.486	20	30		FEEDHM
N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1[C@H]2CCO[C@@H]2C12CCC2	ZINC000155905458	326810104	/nfs/dbraw/zinc/81/01/04/326810104.db2.gz	UVADUOKAUFEGBK-YUELXQCFSA-N	-1	3	352.843	2.448	20	30		FEEDHM
COC(=O)C1([N-]S(=O)(=O)c2cccc(Cl)c2C#N)CCCCC1	ZINC000156322593	326826479	/nfs/dbraw/zinc/82/64/79/326826479.db2.gz	LFGNNQPCTZMSNG-UHFFFAOYSA-N	-1	3	356.831	2.366	20	30		FEEDHM
N#Cc1ccccc1OCCN1CCN(C(=O)c2cccc([O-])c2)CC1	ZINC000174672288	327342841	/nfs/dbraw/zinc/34/28/41/327342841.db2.gz	XOAJZLOCCCAUGT-UHFFFAOYSA-N	-1	3	351.406	2.101	20	30		FEEDHM
CO[C@H](C)c1nc(C[N-]S(=O)(=O)c2ccc(F)cc2C#N)cs1	ZINC000269764147	329546745	/nfs/dbraw/zinc/54/67/45/329546745.db2.gz	CRFDEHHTBYGZOY-SECBINFHSA-N	-1	3	355.416	2.340	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCN(c3ncccc3Cl)C2)s1	ZINC000367171173	330225536	/nfs/dbraw/zinc/22/55/36/330225536.db2.gz	DZRYMOKEMWHRMH-JTQLQIEISA-N	-1	3	368.871	2.225	20	30		FEEDHM
COC(=O)C1CCC([N-]S(=O)(=O)c2ccc(Cl)cc2C#N)CC1	ZINC000157323964	545727460	/nfs/dbraw/zinc/72/74/60/545727460.db2.gz	JJBOLJTULRNIFZ-UHFFFAOYSA-N	-1	3	356.831	2.222	20	30		FEEDHM
CC[C@H](CC#N)NC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1	ZINC000158635681	545879655	/nfs/dbraw/zinc/87/96/55/545879655.db2.gz	JXKSTTILVOHUHE-SNVBAGLBSA-N	-1	3	354.407	2.080	20	30		FEEDHM
C[C@@H](NC(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1)c1ccc(C#N)cc1	ZINC000478450095	561167159	/nfs/dbraw/zinc/16/71/59/561167159.db2.gz	OSIQSZCRFURANX-MPBGBICISA-N	-1	3	362.389	2.104	20	30		FEEDHM
N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2	ZINC000167310692	546158718	/nfs/dbraw/zinc/15/87/18/546158718.db2.gz	SSTASXHBHRHKGI-IMJJTQAJSA-N	-1	3	350.415	2.323	20	30		FEEDHM
C=CCN1CCC([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])CC1	ZINC000171536552	546213162	/nfs/dbraw/zinc/21/31/62/546213162.db2.gz	CNZRGEFQJOCBBW-UHFFFAOYSA-N	-1	3	353.444	2.140	20	30		FEEDHM
C=CCOCCCC(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1	ZINC000173184730	546274986	/nfs/dbraw/zinc/27/49/86/546274986.db2.gz	ZBJIRIJKVZWEOV-UHFFFAOYSA-N	-1	3	372.512	2.000	20	30		FEEDHM
C=CCCS(=O)(=O)[N-][C@@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-]	ZINC000480936264	561220604	/nfs/dbraw/zinc/22/06/04/561220604.db2.gz	VOLNMANAMSVNSR-AWEZNQCLSA-N	-1	3	370.427	2.473	20	30		FEEDHM
CC(C)(C)[N-]S(=O)(=O)c1cc(NC(=O)c2cc(C#N)c[nH]2)ccc1F	ZINC000177884341	546702211	/nfs/dbraw/zinc/70/22/11/546702211.db2.gz	WHGAAICTTLXZIO-UHFFFAOYSA-N	-1	3	364.402	2.355	20	30		FEEDHM
C=CCN1CCC([N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)OC)CC1	ZINC000178537649	546809718	/nfs/dbraw/zinc/80/97/18/546809718.db2.gz	FGIONTPDLMKJGE-UHFFFAOYSA-N	-1	3	372.874	2.055	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)[C@H](O)Cc1ccccc1	ZINC000180188214	547065865	/nfs/dbraw/zinc/06/58/65/547065865.db2.gz	GXAXVUSOLXCIRE-MLGOLLRUSA-N	-1	3	364.854	2.482	20	30		FEEDHM
CC1(C#N)CN(C(=O)Cc2csc(NC(=O)c3cccc([O-])c3)n2)C1	ZINC000482613416	561256830	/nfs/dbraw/zinc/25/68/30/561256830.db2.gz	KHYYQSNKNNERMC-UHFFFAOYSA-N	-1	3	356.407	2.016	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H](CC)CSC)ccc1F	ZINC000180554840	547129562	/nfs/dbraw/zinc/12/95/62/547129562.db2.gz	WFHOBHGYOGMVQS-GFCCVEGCSA-N	-1	3	360.476	2.161	20	30		FEEDHM
COc1c2cnn(C)c2ncc1C([O-])=C(C#N)c1nc2ccccc2n1C	ZINC000181462885	547318720	/nfs/dbraw/zinc/31/87/20/547318720.db2.gz	CEJNRXNMDHMGGD-NSHDSACASA-N	-1	3	360.377	2.354	20	30		FEEDHM
N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2[C@H]3CCO[C@@H]3C23CCC3)c1	ZINC000185500219	547993984	/nfs/dbraw/zinc/99/39/84/547993984.db2.gz	HWXHQOJZYWXMAO-UGFHNGPFSA-N	-1	3	352.843	2.448	20	30		FEEDHM
CC[C@H](CC#N)[N-]S(=O)(=O)c1ccc(CCNC(=O)CC(C)C)s1	ZINC000186425711	548133160	/nfs/dbraw/zinc/13/31/60/548133160.db2.gz	ROLBOOLEANHEDN-CYBMUJFWSA-N	-1	3	371.528	2.423	20	30		FEEDHM
C[C@H](C#N)C[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1	ZINC000187245806	548253982	/nfs/dbraw/zinc/25/39/82/548253982.db2.gz	SWTNNCZCJCWXQT-VXGBXAGGSA-N	-1	3	358.847	2.193	20	30		FEEDHM
C=CCc1cccc(C(C)C)c1NC(=O)C[N-]S(=O)(=O)CCCOC	ZINC000188064923	548270137	/nfs/dbraw/zinc/27/01/37/548270137.db2.gz	LUYBOUMMAZWXQM-UHFFFAOYSA-N	-1	3	368.499	2.433	20	30		FEEDHM
Cc1ncc(CO)c(/C=N/[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)c1[O-]	ZINC000265726700	550013738	/nfs/dbraw/zinc/01/37/38/550013738.db2.gz	VRVKKAMIZDNIEE-MSGYXIIISA-N	-1	3	359.813	2.466	20	30		FEEDHM
COc1ccccc1-c1noc([C@@H](C)[N-]S(=O)(=O)CCCCC#N)n1	ZINC000266331036	550019406	/nfs/dbraw/zinc/01/94/06/550019406.db2.gz	TVFAZDGVMHMIJW-GFCCVEGCSA-N	-1	3	364.427	2.419	20	30		FEEDHM
C[C@H]1CN(C2CC2)C[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000268809147	550118820	/nfs/dbraw/zinc/11/88/20/550118820.db2.gz	STEZIJGSFUBSOT-HZMBPMFUSA-N	-1	3	373.400	2.338	20	30		FEEDHM
Cc1cc(F)cc2c1[n-]cc(C(=O)NC[C@H]1CCCN(CC#N)C1)c2=O	ZINC000269349571	550184130	/nfs/dbraw/zinc/18/41/30/550184130.db2.gz	RFRWDDHVMXSGFQ-CYBMUJFWSA-N	-1	3	356.401	2.353	20	30		FEEDHM
Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(CCC#N)CCC#N)c1	ZINC000271287597	550361148	/nfs/dbraw/zinc/36/11/48/550361148.db2.gz	PMCLMURKFFTOJV-UHFFFAOYSA-N	-1	3	367.365	2.210	20	30		FEEDHM
C=C(C)[C@H](Cc1nc(-c2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)no1)OCC	ZINC000273649945	550506760	/nfs/dbraw/zinc/50/67/60/550506760.db2.gz	CWUBHQUQGCYUFS-LIRRHRJNSA-N	-1	3	370.409	2.315	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(-c2nc(C3(OC)CCC3)no2)ccc1F	ZINC000274140402	550524571	/nfs/dbraw/zinc/52/45/71/550524571.db2.gz	WQFSBNGQTVQBFY-UHFFFAOYSA-N	-1	3	367.402	2.366	20	30		FEEDHM
COc1cc(C)c([C@H](C)[N-]S(=O)(=O)c2cccnc2C#N)cc1OC	ZINC000276960947	550615993	/nfs/dbraw/zinc/61/59/93/550615993.db2.gz	DHXJHOHMOJIEBN-LBPRGKRZSA-N	-1	3	361.423	2.318	20	30		FEEDHM
COc1ccc(CN[C@@H](CC(=O)OCc2ccccc2)C(=O)[O-])cc1C#N	ZINC000277469746	550674673	/nfs/dbraw/zinc/67/46/73/550674673.db2.gz	VZNLHCUGDZCVKS-KRWDZBQOSA-N	-1	3	368.389	2.243	20	30		FEEDHM
C=CCCCNS(=O)(=O)c1ccc([N-]S(=O)(=O)C(C)C)c(F)c1	ZINC000279701548	550918725	/nfs/dbraw/zinc/91/87/25/550918725.db2.gz	HANVPAMUVMYLAJ-UHFFFAOYSA-N	-1	3	364.464	2.220	20	30		FEEDHM
C=C(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cc(C(=O)OC)ccc1Cl	ZINC000280504811	551001217	/nfs/dbraw/zinc/00/12/17/551001217.db2.gz	CMCDGBKYDCMUJM-DOMZBBRYSA-N	-1	3	373.858	2.386	20	30		FEEDHM
COc1ccccc1[C@H]([N-]S(=O)(=O)N(C)[C@@H](C)CC#N)c1ccco1	ZINC000282337883	551213535	/nfs/dbraw/zinc/21/35/35/551213535.db2.gz	QTXYOMSLJCOSFA-GUYCJALGSA-N	-1	3	363.439	2.446	20	30		FEEDHM
COC(=O)c1ccc(S(=O)(=O)[N-]CC2CCC(C#N)CC2)cc1F	ZINC000282437740	551228430	/nfs/dbraw/zinc/22/84/30/551228430.db2.gz	GKHHIEHNFUVBTB-UHFFFAOYSA-N	-1	3	354.403	2.221	20	30		FEEDHM
COC(=O)c1scc(C)c1S(=O)(=O)[N-]CC1CCC(C#N)CC1	ZINC000282437940	551228664	/nfs/dbraw/zinc/22/86/64/551228664.db2.gz	GMLXIROHNFKUEN-UHFFFAOYSA-N	-1	3	356.469	2.451	20	30		FEEDHM
CC(=O)NCCc1ccc(S(=O)(=O)[N-]CC2CCC(C#N)CC2)s1	ZINC000282607405	551251456	/nfs/dbraw/zinc/25/14/56/551251456.db2.gz	RECSDIIMRBNFIE-UHFFFAOYSA-N	-1	3	369.512	2.035	20	30		FEEDHM
N#Cc1cc([N-]S(=O)(=O)C[C@@H]2CCCO2)ccc1OC(F)(F)F	ZINC000283089766	551309643	/nfs/dbraw/zinc/30/96/43/551309643.db2.gz	VJALNUIPDVNZCY-NSHDSACASA-N	-1	3	350.318	2.378	20	30		FEEDHM
Cc1nsc(N2CCC([N-]S(=O)(=O)c3cccs3)CC2)c1C#N	ZINC000283562260	551388162	/nfs/dbraw/zinc/38/81/62/551388162.db2.gz	NLWBPIFGNFBBIH-UHFFFAOYSA-N	-1	3	368.509	2.332	20	30		FEEDHM
C[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C#N)o2)CCN1Cc1ccccc1	ZINC000287660003	552031319	/nfs/dbraw/zinc/03/13/19/552031319.db2.gz	CSXAVRCGRYZTQT-HOCLYGCPSA-N	-1	3	359.451	2.483	20	30		FEEDHM
C[C@@H](c1ccncc1)N1CCC([N-]S(=O)(=O)c2ccc(C#N)o2)CC1	ZINC000287683750	552034216	/nfs/dbraw/zinc/03/42/16/552034216.db2.gz	DWNSYDDHIMTSGT-ZDUSSCGKSA-N	-1	3	360.439	2.050	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)c1cccc(Br)c1C#N)C1CCOCC1	ZINC000288023130	552076263	/nfs/dbraw/zinc/07/62/63/552076263.db2.gz	HKXQXFQNOHUUGZ-JTQLQIEISA-N	-1	3	373.272	2.414	20	30		FEEDHM
CC(C)OCc1nc([C@@H](C)[N-]S(=O)(=O)Cc2ccc(C#N)cc2)no1	ZINC000289569680	552342208	/nfs/dbraw/zinc/34/22/08/552342208.db2.gz	PMNFCUWSJBAPKE-GFCCVEGCSA-N	-1	3	364.427	2.047	20	30		FEEDHM
CC(C)OC(=O)C[C@H]([N-]S(=O)(=O)c1cncc(C#N)c1)c1ccccc1	ZINC000289959951	552405759	/nfs/dbraw/zinc/40/57/59/552405759.db2.gz	WMNNIRHQRPHUPM-KRWDZBQOSA-N	-1	3	373.434	2.315	20	30		FEEDHM
COC[C@@]1(C/N=C\c2c([O-])c(C)ncc2CO)OCCc2ccccc21	ZINC000290621782	552508187	/nfs/dbraw/zinc/50/81/87/552508187.db2.gz	UITPVBOIZOYAEG-FUZNYIRFSA-N	-1	3	356.422	2.121	20	30		FEEDHM
C=CCSCCNC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1	ZINC000290909271	552559739	/nfs/dbraw/zinc/55/97/39/552559739.db2.gz	WDXKJRKMOSZXGF-NSHDSACASA-N	-1	3	353.410	2.006	20	30		FEEDHM
CCc1ccc([C@H](C#N)NC(=O)c2cc(S(=O)(=O)[N-]C)oc2C)cc1	ZINC000293143517	552792699	/nfs/dbraw/zinc/79/26/99/552792699.db2.gz	BQLXQCTUPCKQBY-HNNXBMFYSA-N	-1	3	361.423	2.053	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)C[C@H](O)Cc1ccccc1	ZINC000293601560	552839338	/nfs/dbraw/zinc/83/93/38/552839338.db2.gz	GZMGSSYYTUMOCL-QGZVFWFLSA-N	-1	3	367.449	2.270	20	30		FEEDHM
C=CCC(F)(F)C(=O)[N-][C@@](C)(CNC(=O)C(F)(F)CC=C)COC	ZINC000294340220	552898403	/nfs/dbraw/zinc/89/84/03/552898403.db2.gz	PJKLYVTXVBMFFZ-ZDUSSCGKSA-N	-1	3	354.344	2.047	20	30		FEEDHM
CC(C)(CC#N)CS(=O)(=O)[N-][C@H]1CCCN(c2ccccc2F)C1=O	ZINC000295222031	552971116	/nfs/dbraw/zinc/97/11/16/552971116.db2.gz	VVIKNZKZTZSAPX-AWEZNQCLSA-N	-1	3	367.446	2.180	20	30		FEEDHM
CCOC(=O)C(C)(C)ON=C([O-])Nc1ncccc1OCCCC#N	ZINC000297057818	553248110	/nfs/dbraw/zinc/24/81/10/553248110.db2.gz	YGONTDHFRPXBSR-UHFFFAOYSA-N	-1	3	350.375	2.159	20	30		FEEDHM
CCOC(=O)C(C)(C)O[N-]C(=O)Nc1ncccc1OCCCC#N	ZINC000297057818	553248111	/nfs/dbraw/zinc/24/81/11/553248111.db2.gz	YGONTDHFRPXBSR-UHFFFAOYSA-N	-1	3	350.375	2.159	20	30		FEEDHM
CCNC(=O)COc1ccc(NC(=O)[N-]c2snc(C)c2C#N)cc1	ZINC000297373493	553284364	/nfs/dbraw/zinc/28/43/64/553284364.db2.gz	HWQFYXISFSMIOP-UHFFFAOYSA-N	-1	3	359.411	2.482	20	30		FEEDHM
N#Cc1c(Cl)cccc1S(=O)(=O)[N-]Cc1cn2ccsc2n1	ZINC000503220771	561637124	/nfs/dbraw/zinc/63/71/24/561637124.db2.gz	IOZWZTNLDPTLPW-UHFFFAOYSA-N	-1	3	352.828	2.399	20	30		FEEDHM
N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]Cc1cn2ccsc2n1	ZINC000503222151	561637161	/nfs/dbraw/zinc/63/71/61/561637161.db2.gz	VNLYXMRDMCLQJF-UHFFFAOYSA-N	-1	3	352.828	2.399	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N(CCOC)CC(C)C)ccc1F	ZINC000298471547	553428978	/nfs/dbraw/zinc/42/89/78/553428978.db2.gz	ZASOMUCTYBQARI-UHFFFAOYSA-N	-1	3	372.462	2.035	20	30		FEEDHM
CC[C@](C)([N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C(=O)OC	ZINC000299665768	553600148	/nfs/dbraw/zinc/60/01/48/553600148.db2.gz	WZVPKZLVNHWSHQ-ZDUSSCGKSA-N	-1	3	364.345	2.197	20	30		FEEDHM
COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N(C)CC#N)ccc2C)cc1	ZINC000504621914	561660448	/nfs/dbraw/zinc/66/04/48/561660448.db2.gz	QAOWRSCPRLWGES-UHFFFAOYSA-N	-1	3	373.434	2.400	20	30		FEEDHM
CCc1cc(=O)[n-]c(-c2ccc(NCCCc3[nH]nc(N)c3C#N)nc2)n1	ZINC000301540835	553659266	/nfs/dbraw/zinc/65/92/66/553659266.db2.gz	SBZDURXDVPDYIS-UHFFFAOYSA-N	-1	3	364.413	2.028	20	30		FEEDHM
C=CCC[C@H](CO)[N-]S(=O)(=O)c1ccc(Br)c(F)c1	ZINC000316214841	553760862	/nfs/dbraw/zinc/76/08/62/553760862.db2.gz	ZUHSECYXAXQYMZ-SECBINFHSA-N	-1	3	352.225	2.194	20	30		FEEDHM
CC(C)[C@@H]([N-]S(=O)(=O)Cc1ccc(C#N)cc1)C(=O)OC(C)(C)C	ZINC000325435158	553776472	/nfs/dbraw/zinc/77/64/72/553776472.db2.gz	SOCATFNNPYZQNV-OAHLLOKOSA-N	-1	3	352.456	2.344	20	30		FEEDHM
Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)N[C@@H]2CCO[C@@H]2C)CCCC1	ZINC000328919633	553845085	/nfs/dbraw/zinc/84/50/85/553845085.db2.gz	ATHIXIBNPWWXBN-DGCLKSJQSA-N	-1	3	371.459	2.016	20	30		FEEDHM
C[C@@]1(NC(=O)CC[N-]S(=O)(=O)c2ccc(F)c(F)c2)CCCOC1	ZINC000329175293	553895546	/nfs/dbraw/zinc/89/55/46/553895546.db2.gz	MGUVQMUNZWJTHU-OAHLLOKOSA-N	-1	3	362.398	2.159	20	30		FEEDHM
CC(=O)N1CCC[C@H](c2noc(CCc3c(C)[n-]c(=O)c(C#N)c3C)n2)C1	ZINC000329649293	553982084	/nfs/dbraw/zinc/98/20/84/553982084.db2.gz	FHOXRWXGHYTEFE-AWEZNQCLSA-N	-1	3	369.425	2.170	20	30		FEEDHM
CC(=O)N[C@@H]1CCCN(C(=O)c2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)C1	ZINC000330206068	554085195	/nfs/dbraw/zinc/08/51/95/554085195.db2.gz	CYPASBPSJXVEAX-KDOFPFPSSA-N	-1	3	358.398	2.367	20	30		FEEDHM
CCn1cc([C@H]2OCC[C@@H]2[N-]S(=O)(=O)CC2(C#N)CCCCC2)cn1	ZINC000330307079	554103080	/nfs/dbraw/zinc/10/30/80/554103080.db2.gz	RVTCEBLOGWYYBW-JKSUJKDBSA-N	-1	3	366.487	2.126	20	30		FEEDHM
CCN(CC)C(=O)[C@H]1CCCN1C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C	ZINC000330393953	554115678	/nfs/dbraw/zinc/11/56/78/554115678.db2.gz	LBQGIXOYPAVESF-QGZVFWFLSA-N	-1	3	372.469	2.068	20	30		FEEDHM
CCN(CC)C(=O)[C@@H]1CCCN1C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C	ZINC000330393952	554115866	/nfs/dbraw/zinc/11/58/66/554115866.db2.gz	LBQGIXOYPAVESF-KRWDZBQOSA-N	-1	3	372.469	2.068	20	30		FEEDHM
CC(C)[C@@](C)(O)C[N-]S(=O)(=O)c1cccc(Br)c1C#N	ZINC000330665856	554153106	/nfs/dbraw/zinc/15/31/06/554153106.db2.gz	HJGCCKOXILLZKR-ZDUSSCGKSA-N	-1	3	361.261	2.006	20	30		FEEDHM
N#CCCNC(=O)c1sccc1S(=O)(=O)[N-]C1CCCCCC1	ZINC000331419218	554261601	/nfs/dbraw/zinc/26/16/01/554261601.db2.gz	HKSABWSUJYGTBF-UHFFFAOYSA-N	-1	3	355.485	2.393	20	30		FEEDHM
Cn1cc([C@H]2OCCC[C@@H]2[N-]S(=O)(=O)CC2(C#N)CCCCC2)cn1	ZINC000331749324	554320487	/nfs/dbraw/zinc/32/04/87/554320487.db2.gz	YRVXNAJPJLRMKJ-JKSUJKDBSA-N	-1	3	366.487	2.034	20	30		FEEDHM
CO[C@H](C)CS(=O)(=O)[N-]c1ccc2c(c1)CCC(=O)N2CCCC#N	ZINC000509386667	561797238	/nfs/dbraw/zinc/79/72/38/561797238.db2.gz	LZQOJQJCWFHGKG-CYBMUJFWSA-N	-1	3	365.455	2.046	20	30		FEEDHM
CS(=O)(=O)[N-]c1cc(C(=O)N[C@@H](C#N)c2ccc(F)cc2)ccc1F	ZINC000509507883	561803087	/nfs/dbraw/zinc/80/30/87/561803087.db2.gz	CTPSVRJCRMHALY-HNNXBMFYSA-N	-1	3	365.361	2.331	20	30		FEEDHM
Cn1cc(C#N)c(=NC(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)[n-]1	ZINC000610562950	554529429	/nfs/dbraw/zinc/52/94/29/554529429.db2.gz	MDHNCQXRPDFGMO-INIZCTEOSA-N	-1	3	352.442	2.325	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CC23CCOCC3)c(C(F)(F)F)c1	ZINC000333105406	554573233	/nfs/dbraw/zinc/57/32/33/554573233.db2.gz	QXEPAJBKFNRUCG-CYBMUJFWSA-N	-1	3	360.357	2.424	20	30		FEEDHM
N#Cc1ccc(N2CCC[C@H]([N-]S(=O)(=O)[C@H]3C[C@@H]4CC[C@H]3C4)C2=O)cc1	ZINC000333192133	554586993	/nfs/dbraw/zinc/58/69/93/554586993.db2.gz	SKRXHPYTVLEVMS-FZCLSBEQSA-N	-1	3	373.478	2.162	20	30		FEEDHM
COc1cccc(C(F)(F)C[N-]S(=O)(=O)c2cccc(C)c2C#N)n1	ZINC000511411246	561868281	/nfs/dbraw/zinc/86/82/81/561868281.db2.gz	DPUAIPOOWBXDBQ-UHFFFAOYSA-N	-1	3	367.377	2.341	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-][C@@H]2C[C@@H]3OCCC[C@@H]23)c(C(F)(F)F)c1	ZINC000364841318	555413425	/nfs/dbraw/zinc/41/34/25/555413425.db2.gz	SIBMOHHCNGDCJC-UHTWSYAYSA-N	-1	3	360.357	2.423	20	30		FEEDHM
CCOC(=O)c1nc(C2CCN(c3c(C#N)cccc3C#N)CC2)n[n-]1	ZINC000369362529	556580251	/nfs/dbraw/zinc/58/02/51/556580251.db2.gz	LXYLTHUAFDBQGM-UHFFFAOYSA-N	-1	3	350.382	2.109	20	30		FEEDHM
CCOC(=O)c1nnc(C2CCN(c3c(C#N)cccc3C#N)CC2)[n-]1	ZINC000369362529	556580252	/nfs/dbraw/zinc/58/02/52/556580252.db2.gz	LXYLTHUAFDBQGM-UHFFFAOYSA-N	-1	3	350.382	2.109	20	30		FEEDHM
CCOC(=O)c1n[n-]c(C2CCN(c3c(C#N)cccc3C#N)CC2)n1	ZINC000369362529	556580253	/nfs/dbraw/zinc/58/02/53/556580253.db2.gz	LXYLTHUAFDBQGM-UHFFFAOYSA-N	-1	3	350.382	2.109	20	30		FEEDHM
CS(=O)(=O)[N-]c1c[nH]nc1[C@H]1CCCN(Cc2ccc(C#N)s2)C1	ZINC000371610038	557239015	/nfs/dbraw/zinc/23/90/15/557239015.db2.gz	YRZQQQBFWCZAGR-NSHDSACASA-N	-1	3	365.484	2.094	20	30		FEEDHM
Cc1nc([C@H]([N-]S(=O)(=O)c2cc(C#N)ccc2C)c2ccccc2)n[nH]1	ZINC000371678781	557261124	/nfs/dbraw/zinc/26/11/24/557261124.db2.gz	FGFDOBLCHJPQDS-QGZVFWFLSA-N	-1	3	367.434	2.361	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@@H](C)O[C@@]2(CCCOC2)C1	ZINC000373005888	557608191	/nfs/dbraw/zinc/60/81/91/557608191.db2.gz	ZSXIPTQIGMFQNC-XCLFUZPHSA-N	-1	3	373.453	2.005	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-][C@H](c1nccs1)c1ccccc1	ZINC000373781016	557757849	/nfs/dbraw/zinc/75/78/49/557757849.db2.gz	PIAUODBSWSEVLR-HNNXBMFYSA-N	-1	3	356.432	2.478	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-]C[C@H]1CCCN(c2ccccc2)C1	ZINC000376045768	558118796	/nfs/dbraw/zinc/11/87/96/558118796.db2.gz	XRAXNTIXJAZBQX-OAHLLOKOSA-N	-1	3	356.451	2.148	20	30		FEEDHM
CCN(C[C@H](C)C#N)S(=O)(=O)[N-][C@H](COCC(C)C)c1ccco1	ZINC000409589116	558706047	/nfs/dbraw/zinc/70/60/47/558706047.db2.gz	LKRWFDCAIWYOBJ-HUUCEWRRSA-N	-1	3	357.476	2.309	20	30		FEEDHM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1CCCC12CCOCC2	ZINC000409911201	558727125	/nfs/dbraw/zinc/72/71/25/558727125.db2.gz	VSJAXKYGNSGRFA-OAHLLOKOSA-N	-1	3	365.411	2.094	20	30		FEEDHM
CCN(CCC#N)S(=O)(=O)[N-][C@@H](c1nccs1)c1ccccc1	ZINC000410116449	558739398	/nfs/dbraw/zinc/73/93/98/558739398.db2.gz	JSHVXINAVPNYMY-CQSZACIVSA-N	-1	3	350.469	2.302	20	30		FEEDHM
CCN(CC[N-]S(=O)(=O)c1cc(Br)ccc1C#N)C1CC1	ZINC000416380061	559308715	/nfs/dbraw/zinc/30/87/15/559308715.db2.gz	AKIYLLAHNGPFNH-UHFFFAOYSA-N	-1	3	372.288	2.083	20	30		FEEDHM
C[C@@H](O)C[C@H](C)C[N-]S(=O)(=O)c1cc(Br)ccc1C#N	ZINC000416457910	559314467	/nfs/dbraw/zinc/31/44/67/559314467.db2.gz	IGSICJOTCDKKEL-VHSXEESVSA-N	-1	3	361.261	2.006	20	30		FEEDHM
C=CC[C@H](CO)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000416459039	559314624	/nfs/dbraw/zinc/31/46/24/559314624.db2.gz	QWPBOPCPQFRJSQ-VIFPVBQESA-N	-1	3	368.333	2.077	20	30		FEEDHM
CCC[C@](C)(O)C[N-]S(=O)(=O)c1cc(Br)ccc1C#N	ZINC000416461323	559314707	/nfs/dbraw/zinc/31/47/07/559314707.db2.gz	MVBNRCGMXPTZOE-ZDUSSCGKSA-N	-1	3	361.261	2.150	20	30		FEEDHM
CC(C)n1ncnc1C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N	ZINC000416483361	559316584	/nfs/dbraw/zinc/31/65/84/559316584.db2.gz	KTEZQDQYLRJTIS-UHFFFAOYSA-N	-1	3	373.360	2.228	20	30		FEEDHM
COCC1(C[N-]S(=O)(=O)c2cc(Br)ccc2C#N)CCC1	ZINC000416525126	559319763	/nfs/dbraw/zinc/31/97/63/559319763.db2.gz	NIGQVIGIDROWGP-UHFFFAOYSA-N	-1	3	373.272	2.416	20	30		FEEDHM
COCC[C@@H](C)C[N-]S(=O)(=O)c1cc(Br)ccc1C#N	ZINC000416591911	559323774	/nfs/dbraw/zinc/32/37/74/559323774.db2.gz	UVSXLVBOAYFDPK-SNVBAGLBSA-N	-1	3	361.261	2.272	20	30		FEEDHM
C=CCn1cc(CNCc2cc(Br)c([O-])c(OC)c2)nn1	ZINC000424175215	559656780	/nfs/dbraw/zinc/65/67/80/559656780.db2.gz	SZEBBOTVGKJKEN-UHFFFAOYSA-N	-1	3	353.220	2.231	20	30		FEEDHM
CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H]2CC[C@H](C#N)C2)cc1Cl	ZINC000425186563	559690077	/nfs/dbraw/zinc/69/00/77/559690077.db2.gz	AWSZTZJDGZEGCA-VHSXEESVSA-N	-1	3	359.810	2.408	20	30		FEEDHM
N#CCCCNC(=O)Nc1ccc([N-]S(=O)(=O)Cc2ccccc2)cn1	ZINC000432807319	559865385	/nfs/dbraw/zinc/86/53/85/559865385.db2.gz	VSXSGDBLNQUTPU-UHFFFAOYSA-N	-1	3	373.438	2.449	20	30		FEEDHM
CCS(=O)(=O)[N-]c1ccc(NC(=O)N(C)CC(C)(C)C#N)cc1OC	ZINC000432916673	559867877	/nfs/dbraw/zinc/86/78/77/559867877.db2.gz	YHKQDRKFNHZKPG-UHFFFAOYSA-N	-1	3	368.459	2.470	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]C[C@@]2(CO)C[C@H]2c2ccc(F)cc2)s1	ZINC000435446586	559923426	/nfs/dbraw/zinc/92/34/26/559923426.db2.gz	KQPVYXFEMZSVSF-GOEBONIOSA-N	-1	3	366.439	2.203	20	30		FEEDHM
CC[C@@H](C)[C@H]([N-]S(C)(=O)=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1	ZINC000435443539	559923431	/nfs/dbraw/zinc/92/34/31/559923431.db2.gz	QUWCZOMYRONCBD-WBMJQRKESA-N	-1	3	367.471	2.248	20	30		FEEDHM
C=C(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(F)ccc1OCCOC	ZINC000435588726	559925642	/nfs/dbraw/zinc/92/56/42/559925642.db2.gz	ODBYUKOJYZLAHW-SUMWQHHRSA-N	-1	3	373.446	2.110	20	30		FEEDHM
N#CCC1(CNC(=O)Cc2csc(NC(=O)c3cccc([O-])c3)n2)CC1	ZINC000435954301	559933045	/nfs/dbraw/zinc/93/30/45/559933045.db2.gz	PWFMOLCNVNXNHO-UHFFFAOYSA-N	-1	3	370.434	2.454	20	30		FEEDHM
N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccccc2[O-])cc1	ZINC000436542317	559944864	/nfs/dbraw/zinc/94/48/64/559944864.db2.gz	FSAVPPYDQLMACU-OAHLLOKOSA-N	-1	3	353.403	2.418	20	30		FEEDHM
N#CCSc1cccc(C(=O)NCCNC(=O)c2ccc([O-])cc2)c1	ZINC000436683853	559948876	/nfs/dbraw/zinc/94/88/76/559948876.db2.gz	WPPCSFSATHKGSL-UHFFFAOYSA-N	-1	3	355.419	2.168	20	30		FEEDHM
C=C[C@](C)(CCOC)C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1	ZINC000438013037	559973022	/nfs/dbraw/zinc/97/30/22/559973022.db2.gz	RCKKTJNRUVHWTR-HXUWFJFHSA-N	-1	3	360.454	2.342	20	30		FEEDHM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]CCc1c[nH]c2ccccc12	ZINC000443092861	560070199	/nfs/dbraw/zinc/07/01/99/560070199.db2.gz	XJXRJKVKOIOPNU-UHFFFAOYSA-N	-1	3	370.390	2.469	20	30		FEEDHM
C=CCN(CC=C)[C@H](C[N-]S(=O)(=O)c1cn(CC)c(C)n1)C(C)C	ZINC000444108621	560102042	/nfs/dbraw/zinc/10/20/42/560102042.db2.gz	DATUSAYPFWJIJS-MRXNPFEDSA-N	-1	3	354.520	2.188	20	30		FEEDHM
CCc1c(C)sc([N-]C(=O)c2cn(Cc3noc(C)n3)nn2)c1C#N	ZINC000447341954	560160647	/nfs/dbraw/zinc/16/06/47/560160647.db2.gz	HHNIPPOJDCXIFC-UHFFFAOYSA-N	-1	3	357.399	2.074	20	30		FEEDHM
O=S(=O)([N-][C@@H](CO)CC(F)(F)F)c1ccc(C(F)(F)F)c(F)c1	ZINC000447876141	560171875	/nfs/dbraw/zinc/17/18/75/560171875.db2.gz	YHQQWSLFRZETKC-ZCFIWIBFSA-N	-1	3	369.258	2.436	20	30		FEEDHM
C[C@@H]1C[C@@]1(C#N)C(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1	ZINC000448596084	560191927	/nfs/dbraw/zinc/19/19/27/560191927.db2.gz	KDMKAHNAOVUCIF-RNCFNFMXSA-N	-1	3	361.345	2.015	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)CC1(CC#N)CC1)c1noc(Cc2ccccc2)n1	ZINC000451290227	560298275	/nfs/dbraw/zinc/29/82/75/560298275.db2.gz	LNVMKBCEQINZCE-ZDUSSCGKSA-N	-1	3	360.439	2.335	20	30		FEEDHM
Cc1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1ccc(CC#N)cc1Cl	ZINC000451306377	560299218	/nfs/dbraw/zinc/29/92/18/560299218.db2.gz	XQALYPZQUGMFGJ-ZDUSSCGKSA-N	-1	3	365.846	2.119	20	30		FEEDHM
CN(C)C(=O)C1([N-]S(=O)(=O)c2cccc(Cl)c2C#N)CCCCC1	ZINC000451776725	560328022	/nfs/dbraw/zinc/32/80/22/560328022.db2.gz	VSFLTBFYQBFUDX-UHFFFAOYSA-N	-1	3	369.874	2.281	20	30		FEEDHM
C=CCC[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])C(=O)OCC	ZINC000456610259	560525695	/nfs/dbraw/zinc/52/56/95/560525695.db2.gz	PLFYZORXIZPWLI-JKSUJKDBSA-N	-1	3	374.437	2.011	20	30		FEEDHM
Cc1nsc(N2CCN(Cc3cc(=O)[n-]c(C4CC4)n3)CC2)c1C#N	ZINC000459519564	560691695	/nfs/dbraw/zinc/69/16/95/560691695.db2.gz	GJFRUAAJEZAION-UHFFFAOYSA-N	-1	3	356.455	2.018	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC1(C(F)(F)F)CCOCC1	ZINC000461756820	560781841	/nfs/dbraw/zinc/78/18/41/560781841.db2.gz	XSWIRASOJOXTJR-UHFFFAOYSA-N	-1	3	371.359	2.436	20	30		FEEDHM
Cc1nn2cc(S(=O)(=O)[N-][C@](C)(C#N)C(C)(C)C)cnc2c1Cl	ZINC000464415671	560841078	/nfs/dbraw/zinc/84/10/78/560841078.db2.gz	ZVUPYWYLIHVDTL-CQSZACIVSA-N	-1	3	355.851	2.298	20	30		FEEDHM
N#CCc1ccccc1S(=O)(=O)[N-]c1cccc(F)c1-c1nc[nH]n1	ZINC000475821879	561106228	/nfs/dbraw/zinc/10/62/28/561106228.db2.gz	QWHJQSBFMJHKNB-UHFFFAOYSA-N	-1	3	357.370	2.478	20	30		FEEDHM
C=CC[C@H](CO)C[N-]S(=O)(=O)c1ccc(Br)cc1F	ZINC000476510438	561121255	/nfs/dbraw/zinc/12/12/55/561121255.db2.gz	NSBBNDXUSPFIEJ-VIFPVBQESA-N	-1	3	352.225	2.051	20	30		FEEDHM
CSc1[n-]c(=O)c(C(=O)NC[C@@H](c2ccccc2)N(C)C)cc1C#N	ZINC000476680011	561125998	/nfs/dbraw/zinc/12/59/98/561125998.db2.gz	DLYGRTJRXNDLIU-HNNXBMFYSA-N	-1	3	356.451	2.413	20	30		FEEDHM
CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cnn(CCCOC)c1	ZINC000528919968	562353017	/nfs/dbraw/zinc/35/30/17/562353017.db2.gz	NWOGXAXBMLJBLF-HNNXBMFYSA-N	-1	3	370.409	2.279	20	30		FEEDHM
C=CCN1CC[C@H](N(C)Cc2nc3c4ccccc4oc3c(=O)[n-]2)C1=O	ZINC000532462946	562478770	/nfs/dbraw/zinc/47/87/70/562478770.db2.gz	ASEYHXTZPAIWLM-ZDUSSCGKSA-N	-1	3	352.394	2.300	20	30		FEEDHM
CC(=O)c1ccc(C#N)c(NCc2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)c1	ZINC000541578993	562615788	/nfs/dbraw/zinc/61/57/88/562615788.db2.gz	YNOVZTUVZNQJSI-FQEVSTJZSA-N	-1	3	362.389	2.428	20	30		FEEDHM
CC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C(=O)OC	ZINC000568624062	568100465	/nfs/dbraw/zinc/10/04/65/568100465.db2.gz	FSTCJQJDWBFCQG-MFKMUULPSA-N	-1	3	358.847	2.468	20	30		FEEDHM
N#Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2nnc(C3CC3)s2)c1	ZINC000570382054	568481770	/nfs/dbraw/zinc/48/17/70/568481770.db2.gz	YHQIRERAEPURKY-UHFFFAOYSA-N	-1	3	354.844	2.419	20	30		FEEDHM
N#Cc1cc(NC(=O)c2ccn(-c3cccc(F)c3)n2)ccc1-c1nnn[n-]1	ZINC000737708498	598919177	/nfs/dbraw/zinc/91/91/77/598919177.db2.gz	GQBINOTUVPWGJH-UHFFFAOYSA-N	-1	3	374.339	2.315	20	30		FEEDHM
N#Cc1cc(NC(=O)c2ccn(-c3cccc(F)c3)n2)ccc1-c1nn[n-]n1	ZINC000737708498	598919179	/nfs/dbraw/zinc/91/91/79/598919179.db2.gz	GQBINOTUVPWGJH-UHFFFAOYSA-N	-1	3	374.339	2.315	20	30		FEEDHM
N#Cc1cc(NC(=O)C=Cc2ccc3c(c2)OCO3)ccc1-c1nnn[n-]1	ZINC000737705966	598925520	/nfs/dbraw/zinc/92/55/20/598925520.db2.gz	SOKPQGQPDRILPH-KXFIGUGUSA-N	-1	3	360.333	2.119	20	30		FEEDHM
N#Cc1cc(NC(=O)C=Cc2ccc3c(c2)OCO3)ccc1-c1nn[n-]n1	ZINC000737705966	598925521	/nfs/dbraw/zinc/92/55/21/598925521.db2.gz	SOKPQGQPDRILPH-KXFIGUGUSA-N	-1	3	360.333	2.119	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2cc(=O)c3ccccc3o2)cc1-c1nnn[n-]1	ZINC000737718128	598927682	/nfs/dbraw/zinc/92/76/82/598927682.db2.gz	FPMGBLGSZFOKPE-UHFFFAOYSA-N	-1	3	358.317	2.097	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2cc(=O)c3ccccc3o2)cc1-c1nn[n-]n1	ZINC000737718128	598927683	/nfs/dbraw/zinc/92/76/83/598927683.db2.gz	FPMGBLGSZFOKPE-UHFFFAOYSA-N	-1	3	358.317	2.097	20	30		FEEDHM
CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1cnn(-c2ccccn2)c1C	ZINC000819773200	607253573	/nfs/dbraw/zinc/25/35/73/607253573.db2.gz	RXSOLKQUNWVVJL-UHFFFAOYSA-N	-1	3	373.424	2.270	20	30		FEEDHM
CC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1cnn(-c2ccccn2)c1C	ZINC000819773200	607253574	/nfs/dbraw/zinc/25/35/74/607253574.db2.gz	RXSOLKQUNWVVJL-UHFFFAOYSA-N	-1	3	373.424	2.270	20	30		FEEDHM
Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N[C@H](C)c1ccc(C#N)cc1	ZINC000737298381	598952001	/nfs/dbraw/zinc/95/20/01/598952001.db2.gz	IVWMAYSPQPXBMM-GFCCVEGCSA-N	-1	3	368.422	2.086	20	30		FEEDHM
Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N[C@H](C)c1ccc(C#N)cc1	ZINC000737298381	598952002	/nfs/dbraw/zinc/95/20/02/598952002.db2.gz	IVWMAYSPQPXBMM-GFCCVEGCSA-N	-1	3	368.422	2.086	20	30		FEEDHM
Cc1c(N[C@H]2CCN(c3ccc(C#N)cc3)C2=O)cccc1-c1nnn[n-]1	ZINC000822116132	607258321	/nfs/dbraw/zinc/25/83/21/607258321.db2.gz	NQIQPCMGISORNW-KRWDZBQOSA-N	-1	3	359.393	2.264	20	30		FEEDHM
Cc1c(N[C@H]2CCN(c3ccc(C#N)cc3)C2=O)cccc1-c1nn[n-]n1	ZINC000822116132	607258322	/nfs/dbraw/zinc/25/83/22/607258322.db2.gz	NQIQPCMGISORNW-KRWDZBQOSA-N	-1	3	359.393	2.264	20	30		FEEDHM
O=C1c2cccc(O)c2CCC1=Cc1cnc2ccc(-c3nnn[n-]3)cn12	ZINC000823503392	599112213	/nfs/dbraw/zinc/11/22/13/599112213.db2.gz	FOWQWYSIRMGVSD-FLIBITNWSA-N	-1	3	358.361	2.433	20	30		FEEDHM
O=C1c2cccc(O)c2CCC1=Cc1cnc2ccc(-c3nn[n-]n3)cn12	ZINC000823503392	599112214	/nfs/dbraw/zinc/11/22/14/599112214.db2.gz	FOWQWYSIRMGVSD-FLIBITNWSA-N	-1	3	358.361	2.433	20	30		FEEDHM
COc1ccc(C=NNc2ccc([N+](=O)[O-])cc2OC)cc1-c1nnn[n-]1	ZINC000737050935	599128532	/nfs/dbraw/zinc/12/85/32/599128532.db2.gz	HRPOENUYIAFWIE-UHFFFAOYSA-N	-1	3	369.341	2.238	20	30		FEEDHM
COc1ccc(C=NNc2ccc([N+](=O)[O-])cc2OC)cc1-c1nn[n-]n1	ZINC000737050935	599128535	/nfs/dbraw/zinc/12/85/35/599128535.db2.gz	HRPOENUYIAFWIE-UHFFFAOYSA-N	-1	3	369.341	2.238	20	30		FEEDHM
N#CC(C(=O)CSCC(=O)[O-])C(=O)Nc1cc(Cl)cc(Cl)c1	ZINC000740303859	597106147	/nfs/dbraw/zinc/10/61/47/597106147.db2.gz	MZOGRBMXYDMSJH-SNVBAGLBSA-N	-1	3	361.206	2.459	20	30		FEEDHM
C=C(C)CN(CC)C(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1	ZINC000819722964	607298716	/nfs/dbraw/zinc/29/87/16/607298716.db2.gz	SORCWASSFKEWFZ-UHFFFAOYSA-N	-1	3	356.430	2.400	20	30		FEEDHM
C=C(C)CN(CC)C(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1	ZINC000819722964	607298717	/nfs/dbraw/zinc/29/87/17/607298717.db2.gz	SORCWASSFKEWFZ-UHFFFAOYSA-N	-1	3	356.430	2.400	20	30		FEEDHM
N#Cc1ccccc1N1CCN(Cc2ccc(-c3nnn[n-]3)cc2F)CC1	ZINC000737727272	598253795	/nfs/dbraw/zinc/25/37/95/598253795.db2.gz	IGIWXQKINXYORR-UHFFFAOYSA-N	-1	3	363.400	2.200	20	30		FEEDHM
N#Cc1ccccc1N1CCN(Cc2ccc(-c3nn[n-]n3)cc2F)CC1	ZINC000737727272	598253796	/nfs/dbraw/zinc/25/37/96/598253796.db2.gz	IGIWXQKINXYORR-UHFFFAOYSA-N	-1	3	363.400	2.200	20	30		FEEDHM
N#Cc1ccc(N2CCN(Cc3cccc(-c4nn[n-]n4)c3)CC2)c(F)c1	ZINC000737719285	598256792	/nfs/dbraw/zinc/25/67/92/598256792.db2.gz	SDHSUBOVVNEBOV-UHFFFAOYSA-N	-1	3	363.400	2.200	20	30		FEEDHM
N#Cc1ccccc1NC(=S)NCc1ccc(-c2nnn[n-]2)cc1F	ZINC000737728180	598295944	/nfs/dbraw/zinc/29/59/44/598295944.db2.gz	YWXCGKAIKRCNBO-UHFFFAOYSA-N	-1	3	353.386	2.364	20	30		FEEDHM
N#Cc1ccccc1NC(=S)NCc1ccc(-c2nn[n-]n2)cc1F	ZINC000737728180	598295946	/nfs/dbraw/zinc/29/59/46/598295946.db2.gz	YWXCGKAIKRCNBO-UHFFFAOYSA-N	-1	3	353.386	2.364	20	30		FEEDHM
C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N(C)c1ccc(C#N)cc1F	ZINC000736183552	598309371	/nfs/dbraw/zinc/30/93/71/598309371.db2.gz	UCDVGZKWISYUBP-NSHDSACASA-N	-1	3	366.356	2.308	20	30		FEEDHM
C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N(C)c1ccc(C#N)cc1F	ZINC000736183552	598309373	/nfs/dbraw/zinc/30/93/73/598309373.db2.gz	UCDVGZKWISYUBP-NSHDSACASA-N	-1	3	366.356	2.308	20	30		FEEDHM
N#Cc1ccccc1N1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)CC1	ZINC000737727265	598394359	/nfs/dbraw/zinc/39/43/59/598394359.db2.gz	IEAITAVZTXSYBI-UHFFFAOYSA-N	-1	3	366.816	2.113	20	30		FEEDHM
N#Cc1ccccc1N1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)CC1	ZINC000737727265	598394361	/nfs/dbraw/zinc/39/43/61/598394361.db2.gz	IEAITAVZTXSYBI-UHFFFAOYSA-N	-1	3	366.816	2.113	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Cn1ncc2ccccc21	ZINC000735420186	598420544	/nfs/dbraw/zinc/42/05/44/598420544.db2.gz	NBSAYHOWBRGIEC-UHFFFAOYSA-N	-1	3	373.420	2.431	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Cn1ncc2ccccc21	ZINC000735420186	598420546	/nfs/dbraw/zinc/42/05/46/598420546.db2.gz	NBSAYHOWBRGIEC-UHFFFAOYSA-N	-1	3	373.420	2.431	20	30		FEEDHM
Cc1cc(C(=O)N[C@H](C#N)C2CC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1	ZINC000737234857	598536400	/nfs/dbraw/zinc/53/64/00/598536400.db2.gz	RTEVXJQTSUTGKS-QGZVFWFLSA-N	-1	3	361.409	2.306	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ncc(OC)s2)ccc1F	ZINC000808018292	674437712	/nfs/dbraw/zinc/43/77/12/674437712.db2.gz	JQXJBIJPOSONJW-UHFFFAOYSA-N	-1	3	371.415	2.007	20	30		FEEDHM
C#Cc1cccc(N(C(C)C)S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c1	ZINC000735389839	598594530	/nfs/dbraw/zinc/59/45/30/598594530.db2.gz	LGSKLSLSRYOZBV-UHFFFAOYSA-N	-1	3	367.434	2.452	20	30		FEEDHM
C#Cc1cccc(N(C(C)C)S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c1	ZINC000735389839	598594532	/nfs/dbraw/zinc/59/45/32/598594532.db2.gz	LGSKLSLSRYOZBV-UHFFFAOYSA-N	-1	3	367.434	2.452	20	30		FEEDHM
N#Cc1ccc(N2CCC[C@@H]2C(=O)OCc2cccc(-c3nnn[n-]3)c2)cc1	ZINC000737718575	598620737	/nfs/dbraw/zinc/62/07/37/598620737.db2.gz	NRGOGPSPJIMDBJ-GOSISDBHSA-N	-1	3	374.404	2.451	20	30		FEEDHM
N#Cc1ccc(N2CCC[C@@H]2C(=O)OCc2cccc(-c3nn[n-]n3)c2)cc1	ZINC000737718575	598620738	/nfs/dbraw/zinc/62/07/38/598620738.db2.gz	NRGOGPSPJIMDBJ-GOSISDBHSA-N	-1	3	374.404	2.451	20	30		FEEDHM
N#CCCN(c1ccc(F)cc1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1	ZINC000737693212	598627343	/nfs/dbraw/zinc/62/73/43/598627343.db2.gz	FAXJBMRMNYUNRT-UHFFFAOYSA-N	-1	3	372.385	2.115	20	30		FEEDHM
N#CCCN(c1ccc(F)cc1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1	ZINC000737693212	598627344	/nfs/dbraw/zinc/62/73/44/598627344.db2.gz	FAXJBMRMNYUNRT-UHFFFAOYSA-N	-1	3	372.385	2.115	20	30		FEEDHM
N#CCN(C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1)C1CC1	ZINC000737694853	598656708	/nfs/dbraw/zinc/65/67/08/598656708.db2.gz	YFMFJIBFFFLVAF-UHFFFAOYSA-N	-1	3	361.365	2.182	20	30		FEEDHM
N#CCN(C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1)C1CC1	ZINC000737694853	598656710	/nfs/dbraw/zinc/65/67/10/598656710.db2.gz	YFMFJIBFFFLVAF-UHFFFAOYSA-N	-1	3	361.365	2.182	20	30		FEEDHM
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(-c2nnn[n-]2)cn1	ZINC000735734823	598662738	/nfs/dbraw/zinc/66/27/38/598662738.db2.gz	JTNZEMVGWHLXHT-MRXNPFEDSA-N	-1	3	363.381	2.175	20	30		FEEDHM
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(-c2nn[n-]n2)cn1	ZINC000735734823	598662740	/nfs/dbraw/zinc/66/27/40/598662740.db2.gz	JTNZEMVGWHLXHT-MRXNPFEDSA-N	-1	3	363.381	2.175	20	30		FEEDHM
N#CC1(NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)CCCC1	ZINC000737678398	598688973	/nfs/dbraw/zinc/68/89/73/598688973.db2.gz	HOALGIOKLFWWOG-UHFFFAOYSA-N	-1	3	354.414	2.368	20	30		FEEDHM
N#CC1(NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)CCCC1	ZINC000737678398	598688975	/nfs/dbraw/zinc/68/89/75/598688975.db2.gz	HOALGIOKLFWWOG-UHFFFAOYSA-N	-1	3	354.414	2.368	20	30		FEEDHM
CC(C)[C@H](C#N)NC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1	ZINC000735693123	598691353	/nfs/dbraw/zinc/69/13/53/598691353.db2.gz	WQGVGDOXPBWWIK-HNNXBMFYSA-N	-1	3	366.381	2.317	20	30		FEEDHM
C[C@H](C#N)CN(C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F	ZINC000735502945	598781200	/nfs/dbraw/zinc/78/12/00/598781200.db2.gz	HSIYAMULVVRRJI-MRVPVSSYSA-N	-1	3	351.317	2.091	20	30		FEEDHM
C[C@H](C#N)CN(C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F	ZINC000735502945	598781202	/nfs/dbraw/zinc/78/12/02/598781202.db2.gz	HSIYAMULVVRRJI-MRVPVSSYSA-N	-1	3	351.317	2.091	20	30		FEEDHM
Cc1cc2c(cc1C)O[C@H](C(=O)Nc1ccc(C#N)c(-c3nnn[n-]3)c1)C2	ZINC000822213167	599631499	/nfs/dbraw/zinc/63/14/99/599631499.db2.gz	XCYJNSKXOZUYNI-KRWDZBQOSA-N	-1	3	360.377	2.297	20	30		FEEDHM
Cc1cc2c(cc1C)O[C@H](C(=O)Nc1ccc(C#N)c(-c3nn[n-]n3)c1)C2	ZINC000822213167	599631500	/nfs/dbraw/zinc/63/15/00/599631500.db2.gz	XCYJNSKXOZUYNI-KRWDZBQOSA-N	-1	3	360.377	2.297	20	30		FEEDHM
Cc1cc(-c2nnn[n-]2)ccc1COC(=O)Cc1ccc(OCC#N)cc1	ZINC000826253834	607407043	/nfs/dbraw/zinc/40/70/43/607407043.db2.gz	GTCOMUQAOBSPTR-UHFFFAOYSA-N	-1	3	363.377	2.363	20	30		FEEDHM
Cc1cc(-c2nn[n-]n2)ccc1COC(=O)Cc1ccc(OCC#N)cc1	ZINC000826253834	607407045	/nfs/dbraw/zinc/40/70/45/607407045.db2.gz	GTCOMUQAOBSPTR-UHFFFAOYSA-N	-1	3	363.377	2.363	20	30		FEEDHM
N#Cc1cccc(C2(NC(=O)c3ncc(-c4nnn[n-]4)cc3Cl)CC2)c1	ZINC000826386681	607422778	/nfs/dbraw/zinc/42/27/78/607422778.db2.gz	OFAJPKGMYLAJAD-UHFFFAOYSA-N	-1	3	365.784	2.206	20	30		FEEDHM
N#Cc1cccc(C2(NC(=O)c3ncc(-c4nn[n-]n4)cc3Cl)CC2)c1	ZINC000826386681	607422779	/nfs/dbraw/zinc/42/27/79/607422779.db2.gz	OFAJPKGMYLAJAD-UHFFFAOYSA-N	-1	3	365.784	2.206	20	30		FEEDHM
N#CCC[C@H](NC(=O)COc1ccccc1-c1nnn[n-]1)c1ccccc1	ZINC000826381464	607429306	/nfs/dbraw/zinc/42/93/06/607429306.db2.gz	MWRWWLNFNKCLLC-INIZCTEOSA-N	-1	3	362.393	2.407	20	30		FEEDHM
N#CCC[C@H](NC(=O)COc1ccccc1-c1nn[n-]n1)c1ccccc1	ZINC000826381464	607429307	/nfs/dbraw/zinc/42/93/07/607429307.db2.gz	MWRWWLNFNKCLLC-INIZCTEOSA-N	-1	3	362.393	2.407	20	30		FEEDHM
N#Cc1ccc([C@@H](NCc2ccccc2CN2CCOCC2)C(=O)[O-])cc1	ZINC000739108972	600592026	/nfs/dbraw/zinc/59/20/26/600592026.db2.gz	ZDXRSBMTJMEBAW-HXUWFJFHSA-N	-1	3	365.433	2.306	20	30		FEEDHM
C[C@H]1CCCC[C@H]1NC(=S)NN=Cc1ccc(-c2nnn[n-]2)cc1F	ZINC000820704298	607463201	/nfs/dbraw/zinc/46/32/01/607463201.db2.gz	NMMWSYSFWSNSMH-IINYFYTJSA-N	-1	3	361.450	2.383	20	30		FEEDHM
C[C@H]1CCCC[C@H]1NC(=S)NN=Cc1ccc(-c2nn[n-]n2)cc1F	ZINC000820704298	607463203	/nfs/dbraw/zinc/46/32/03/607463203.db2.gz	NMMWSYSFWSNSMH-IINYFYTJSA-N	-1	3	361.450	2.383	20	30		FEEDHM
Cc1cccc(S(=O)(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1C#N	ZINC000826302287	607587709	/nfs/dbraw/zinc/58/77/09/607587709.db2.gz	FKDRRVRONRUUDS-GFCCVEGCSA-N	-1	3	368.422	2.086	20	30		FEEDHM
Cc1cccc(S(=O)(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1C#N	ZINC000826302287	607587710	/nfs/dbraw/zinc/58/77/10/607587710.db2.gz	FKDRRVRONRUUDS-GFCCVEGCSA-N	-1	3	368.422	2.086	20	30		FEEDHM
C=CC[C@@H](C)NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1	ZINC000823888157	607617755	/nfs/dbraw/zinc/61/77/55/607617755.db2.gz	GOPCPZPRIQINNS-MRVPVSSYSA-N	-1	3	361.349	2.128	20	30		FEEDHM
N#Cc1ccsc1N1CC[C@@H](NCC2(NC(=O)[O-])CCCCC2)C1=O	ZINC000831157288	603566308	/nfs/dbraw/zinc/56/63/08/603566308.db2.gz	UTYZACWYEAPONS-CYBMUJFWSA-N	-1	3	362.455	2.285	20	30		FEEDHM
C=C(C)CN1CCC(NC(=O)N[C@H]2CCCC[C@@H]2CNC(=O)[O-])CC1	ZINC000823480658	603769069	/nfs/dbraw/zinc/76/90/69/603769069.db2.gz	KCBBHGUCIINSKF-ZBFHGGJFSA-N	-1	3	352.479	2.153	20	30		FEEDHM
CCOc1ccccc1NC(=O)C(C#N)C(=O)[C@H]1CC[C@H](NC(=O)[O-])C1	ZINC000827459594	604220968	/nfs/dbraw/zinc/22/09/68/604220968.db2.gz	IIERHMKLQAEUJM-RWMBFGLXSA-N	-1	3	359.382	2.169	20	30		FEEDHM
N#Cc1c[nH]c(C(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)c1	ZINC000826383470	607770575	/nfs/dbraw/zinc/77/05/75/607770575.db2.gz	BVIRORXFVNENBW-UHFFFAOYSA-N	-1	3	362.378	2.442	20	30		FEEDHM
N#Cc1c[nH]c(C(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)c1	ZINC000826383470	607770576	/nfs/dbraw/zinc/77/05/76/607770576.db2.gz	BVIRORXFVNENBW-UHFFFAOYSA-N	-1	3	362.378	2.442	20	30		FEEDHM
N#C[C@H](c1ccccc1)N1CCN(Cc2cccc(-c3nn[n-]n3)c2)CC1	ZINC000822802202	606072729	/nfs/dbraw/zinc/07/27/29/606072729.db2.gz	WUBJGVHSULPART-LJQANCHMSA-N	-1	3	359.437	2.249	20	30		FEEDHM
N#Cc1ccc(N[C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)cc1	ZINC000822829879	606243883	/nfs/dbraw/zinc/24/38/83/606243883.db2.gz	NFLGFUNSLPITQY-CYBMUJFWSA-N	-1	3	351.395	2.017	20	30		FEEDHM
N#Cc1ccc(N[C@@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)cc1	ZINC000822829879	606243884	/nfs/dbraw/zinc/24/38/84/606243884.db2.gz	NFLGFUNSLPITQY-CYBMUJFWSA-N	-1	3	351.395	2.017	20	30		FEEDHM
C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1	ZINC000820548898	606267783	/nfs/dbraw/zinc/26/77/83/606267783.db2.gz	HTYFVGOGEKDJDI-SNVBAGLBSA-N	-1	3	352.329	2.283	20	30		FEEDHM
C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1	ZINC000820548898	606267784	/nfs/dbraw/zinc/26/77/84/606267784.db2.gz	HTYFVGOGEKDJDI-SNVBAGLBSA-N	-1	3	352.329	2.283	20	30		FEEDHM
C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@@H](C#N)C1CCCCC1	ZINC000820541240	606362240	/nfs/dbraw/zinc/36/22/40/606362240.db2.gz	CQSPSVRXWXAHJC-WFASDCNBSA-N	-1	3	354.414	2.223	20	30		FEEDHM
C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@@H](C#N)C1CCCCC1	ZINC000820541240	606362242	/nfs/dbraw/zinc/36/22/42/606362242.db2.gz	CQSPSVRXWXAHJC-WFASDCNBSA-N	-1	3	354.414	2.223	20	30		FEEDHM
C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@H](C#N)C1CCCCC1	ZINC000820541239	606362605	/nfs/dbraw/zinc/36/26/05/606362605.db2.gz	CQSPSVRXWXAHJC-SWLSCSKDSA-N	-1	3	354.414	2.223	20	30		FEEDHM
C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@H](C#N)C1CCCCC1	ZINC000820541239	606362607	/nfs/dbraw/zinc/36/26/07/606362607.db2.gz	CQSPSVRXWXAHJC-SWLSCSKDSA-N	-1	3	354.414	2.223	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1CCCSC1	ZINC000819743127	606385337	/nfs/dbraw/zinc/38/53/37/606385337.db2.gz	DDFIGZMKTPKBCQ-HNNXBMFYSA-N	-1	3	358.471	2.460	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1CCCSC1	ZINC000819743127	606385339	/nfs/dbraw/zinc/38/53/39/606385339.db2.gz	DDFIGZMKTPKBCQ-HNNXBMFYSA-N	-1	3	358.471	2.460	20	30		FEEDHM
CC[C@H](C#N)OC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1	ZINC000820843352	606614166	/nfs/dbraw/zinc/61/41/66/606614166.db2.gz	WYGJPUOEZOVZGG-LLVKDONJSA-N	-1	3	353.338	2.498	20	30		FEEDHM
CC[C@H](C#N)OC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1	ZINC000820843352	606614168	/nfs/dbraw/zinc/61/41/68/606614168.db2.gz	WYGJPUOEZOVZGG-LLVKDONJSA-N	-1	3	353.338	2.498	20	30		FEEDHM
C=C(COC(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1)C(=O)OCC	ZINC000819722726	606900150	/nfs/dbraw/zinc/90/01/50/606900150.db2.gz	PSSLUKXKVZGWND-UHFFFAOYSA-N	-1	3	370.287	2.162	20	30		FEEDHM
C=C(COC(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1)C(=O)OCC	ZINC000819722726	606900151	/nfs/dbraw/zinc/90/01/51/606900151.db2.gz	PSSLUKXKVZGWND-UHFFFAOYSA-N	-1	3	370.287	2.162	20	30		FEEDHM
N#CCCN(CCCOc1cccc(-c2nnn[n-]2)c1)Cc1ccccn1	ZINC000822810079	606909723	/nfs/dbraw/zinc/90/97/23/606909723.db2.gz	BTBZDOPTZDNONF-UHFFFAOYSA-N	-1	3	363.425	2.446	20	30		FEEDHM
N#CCCN(CCCOc1cccc(-c2nn[n-]n2)c1)Cc1ccccn1	ZINC000822810079	606909724	/nfs/dbraw/zinc/90/97/24/606909724.db2.gz	BTBZDOPTZDNONF-UHFFFAOYSA-N	-1	3	363.425	2.446	20	30		FEEDHM
COc1ccc(NN=Cc2ccc(OC)c(-c3nn[n-]n3)c2)c([N+](=O)[O-])c1	ZINC000821835271	607123864	/nfs/dbraw/zinc/12/38/64/607123864.db2.gz	GNXCKDUFKXTLFO-UHFFFAOYSA-N	-1	3	369.341	2.238	20	30		FEEDHM
N#Cc1cccc(OCC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c1	ZINC000822837697	607241806	/nfs/dbraw/zinc/24/18/06/607241806.db2.gz	SIAYZORJZSWDBZ-UHFFFAOYSA-N	-1	3	354.757	2.409	20	30		FEEDHM
N#Cc1cccc(OCC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c1	ZINC000822837697	607241807	/nfs/dbraw/zinc/24/18/07/607241807.db2.gz	SIAYZORJZSWDBZ-UHFFFAOYSA-N	-1	3	354.757	2.409	20	30		FEEDHM
C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Oc1ccc(C#N)cc1F	ZINC000820548912	607250025	/nfs/dbraw/zinc/25/00/25/607250025.db2.gz	IEBWXYVFVHAFDU-SNVBAGLBSA-N	-1	3	353.313	2.250	20	30		FEEDHM
C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Oc1ccc(C#N)cc1F	ZINC000820548912	607250026	/nfs/dbraw/zinc/25/00/26/607250026.db2.gz	IEBWXYVFVHAFDU-SNVBAGLBSA-N	-1	3	353.313	2.250	20	30		FEEDHM
CCCCCCCCNC(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1	ZINC000825270695	607859810	/nfs/dbraw/zinc/85/98/10/607859810.db2.gz	BQXSXRBNCNJTGT-UHFFFAOYSA-N	-1	3	362.409	2.421	20	30		FEEDHM
CCCCCCCCNC(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1	ZINC000825270695	607859811	/nfs/dbraw/zinc/85/98/11/607859811.db2.gz	BQXSXRBNCNJTGT-UHFFFAOYSA-N	-1	3	362.409	2.421	20	30		FEEDHM
CCc1c(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cnn1CC(C)C	ZINC000825688010	607926974	/nfs/dbraw/zinc/92/69/74/607926974.db2.gz	PTEZDNXHCUYXTJ-UHFFFAOYSA-N	-1	3	364.413	2.406	20	30		FEEDHM
CCc1c(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cnn1CC(C)C	ZINC000825688010	607926975	/nfs/dbraw/zinc/92/69/75/607926975.db2.gz	PTEZDNXHCUYXTJ-UHFFFAOYSA-N	-1	3	364.413	2.406	20	30		FEEDHM
N#Cc1cc(NC(=O)C=Cc2ccnc(Cl)c2)ccc1-c1nnn[n-]1	ZINC000826384160	607962550	/nfs/dbraw/zinc/96/25/50/607962550.db2.gz	JFXBQONYLRFMFF-DAFODLJHSA-N	-1	3	351.757	2.439	20	30		FEEDHM
N#Cc1cc(NC(=O)C=Cc2ccnc(Cl)c2)ccc1-c1nn[n-]n1	ZINC000826384160	607962551	/nfs/dbraw/zinc/96/25/51/607962551.db2.gz	JFXBQONYLRFMFF-DAFODLJHSA-N	-1	3	351.757	2.439	20	30		FEEDHM
C[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCC[C@](C)(C#N)C1	ZINC000824046821	608125421	/nfs/dbraw/zinc/12/54/21/608125421.db2.gz	VSQPZMFXRYZFJK-APPDUMDISA-N	-1	3	373.848	2.473	20	30		FEEDHM
C[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCC[C@](C)(C#N)C1	ZINC000824046821	608125422	/nfs/dbraw/zinc/12/54/22/608125422.db2.gz	VSQPZMFXRYZFJK-APPDUMDISA-N	-1	3	373.848	2.473	20	30		FEEDHM
Cn1cc(CN2CCC[C@](C)(C#N)C2)c(-c2ccc(-c3nnn[n-]3)cc2)n1	ZINC000826360700	608126213	/nfs/dbraw/zinc/12/62/13/608126213.db2.gz	UUDAPFJIIQCDOH-LJQANCHMSA-N	-1	3	362.441	2.393	20	30		FEEDHM
Cn1cc(CN2CCC[C@](C)(C#N)C2)c(-c2ccc(-c3nn[n-]n3)cc2)n1	ZINC000826360700	608126214	/nfs/dbraw/zinc/12/62/14/608126214.db2.gz	UUDAPFJIIQCDOH-LJQANCHMSA-N	-1	3	362.441	2.393	20	30		FEEDHM
COCCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1sccc1C#N	ZINC000826161799	608138993	/nfs/dbraw/zinc/13/89/93/608138993.db2.gz	ANIMEFBOFGBHIS-UHFFFAOYSA-N	-1	3	370.394	2.077	20	30		FEEDHM
COCCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1sccc1C#N	ZINC000826161799	608138994	/nfs/dbraw/zinc/13/89/94/608138994.db2.gz	ANIMEFBOFGBHIS-UHFFFAOYSA-N	-1	3	370.394	2.077	20	30		FEEDHM
Cc1ccc(F)cc1NC(=O)C=NOCc1cccc(-c2nnn[n-]2)c1	ZINC000826289530	608152162	/nfs/dbraw/zinc/15/21/62/608152162.db2.gz	DKLZXYGCASWLFK-UHFFFAOYSA-N	-1	3	354.345	2.455	20	30		FEEDHM
Cc1ccc(F)cc1NC(=O)C=NOCc1cccc(-c2nn[n-]n2)c1	ZINC000826289530	608152164	/nfs/dbraw/zinc/15/21/64/608152164.db2.gz	DKLZXYGCASWLFK-UHFFFAOYSA-N	-1	3	354.345	2.455	20	30		FEEDHM
COCCn1nc(C)c(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)c1C	ZINC000826163778	608228778	/nfs/dbraw/zinc/22/87/78/608228778.db2.gz	KVWJFYZDHSXHCL-GQCTYLIASA-N	-1	3	358.427	2.284	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)S(=O)(=O)c1ccc(C)o1	ZINC000823914183	608300507	/nfs/dbraw/zinc/30/05/07/608300507.db2.gz	CSOAWHKRHTUBNW-UHFFFAOYSA-N	-1	3	359.411	2.145	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)S(=O)(=O)c1ccc(C)o1	ZINC000823914183	608300509	/nfs/dbraw/zinc/30/05/09/608300509.db2.gz	CSOAWHKRHTUBNW-UHFFFAOYSA-N	-1	3	359.411	2.145	20	30		FEEDHM
COc1cc(C#N)ccc1COC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F	ZINC000826176851	608364204	/nfs/dbraw/zinc/36/42/04/608364204.db2.gz	HIHDNGOOIGEXSU-UHFFFAOYSA-N	-1	3	371.303	2.382	20	30		FEEDHM
COc1cc(C#N)ccc1COC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F	ZINC000826176851	608364206	/nfs/dbraw/zinc/36/42/06/608364206.db2.gz	HIHDNGOOIGEXSU-UHFFFAOYSA-N	-1	3	371.303	2.382	20	30		FEEDHM
Cc1nnc(NCc2nc(-c3cccc(C#N)c3)c[nH]2)c(-c2nnn[n-]2)c1C	ZINC000826336498	608410359	/nfs/dbraw/zinc/41/03/59/608410359.db2.gz	AGFLTXFGPKCTIP-UHFFFAOYSA-N	-1	3	372.396	2.147	20	30		FEEDHM
Cc1nnc(NCc2nc(-c3cccc(C#N)c3)c[nH]2)c(-c2nn[n-]n2)c1C	ZINC000826336498	608410360	/nfs/dbraw/zinc/41/03/60/608410360.db2.gz	AGFLTXFGPKCTIP-UHFFFAOYSA-N	-1	3	372.396	2.147	20	30		FEEDHM
O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1cn(-c2ccccc2)nn1	ZINC000826401082	608881521	/nfs/dbraw/zinc/88/15/21/608881521.db2.gz	PAHVLYANRMLLBI-CLFYSBASSA-N	-1	3	361.340	2.483	20	30		FEEDHM
O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1cn(-c2ccccc2)nn1	ZINC000826401082	608881522	/nfs/dbraw/zinc/88/15/22/608881522.db2.gz	PAHVLYANRMLLBI-CLFYSBASSA-N	-1	3	361.340	2.483	20	30		FEEDHM
Cc1cc(C(=O)O[C@H](C)C(C)(C)C#N)nn1-c1cccc(-c2nnn[n-]2)c1	ZINC000826260789	609151926	/nfs/dbraw/zinc/15/19/26/609151926.db2.gz	DXGACRYEFFJPJI-GFCCVEGCSA-N	-1	3	365.397	2.456	20	30		FEEDHM
Cc1cc(C(=O)O[C@H](C)C(C)(C)C#N)nn1-c1cccc(-c2nn[n-]n2)c1	ZINC000826260789	609151928	/nfs/dbraw/zinc/15/19/28/609151928.db2.gz	DXGACRYEFFJPJI-GFCCVEGCSA-N	-1	3	365.397	2.456	20	30		FEEDHM
C=CCN(Cc1ccccc1F)C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1	ZINC000823919444	609208168	/nfs/dbraw/zinc/20/81/68/609208168.db2.gz	FTMZRESWYPBYQA-QGZVFWFLSA-N	-1	3	367.384	2.254	20	30		FEEDHM
C=CCN(Cc1ccccc1F)C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1	ZINC000823919444	609208169	/nfs/dbraw/zinc/20/81/69/609208169.db2.gz	FTMZRESWYPBYQA-QGZVFWFLSA-N	-1	3	367.384	2.254	20	30		FEEDHM
N#CC1(c2ccc(C(=O)OCC(=O)c3cccc(-c4nnn[n-]4)c3)cc2)CC1	ZINC000826379927	609246531	/nfs/dbraw/zinc/24/65/31/609246531.db2.gz	HCYDATGCGJTJQH-UHFFFAOYSA-N	-1	3	373.372	2.462	20	30		FEEDHM
N#CC1(c2ccc(C(=O)OCC(=O)c3cccc(-c4nn[n-]n4)c3)cc2)CC1	ZINC000826379927	609246533	/nfs/dbraw/zinc/24/65/33/609246533.db2.gz	HCYDATGCGJTJQH-UHFFFAOYSA-N	-1	3	373.372	2.462	20	30		FEEDHM
O=C(C=Cc1cn(-c2ccccc2)nn1)c1ccc(-c2nnn[n-]2)cc1F	ZINC000826403111	609271280	/nfs/dbraw/zinc/27/12/80/609271280.db2.gz	JZAPYIPXGVOPAB-VQHVLOKHSA-N	-1	3	361.340	2.483	20	30		FEEDHM
O=C(C=Cc1cn(-c2ccccc2)nn1)c1ccc(-c2nn[n-]n2)cc1F	ZINC000826403111	609271281	/nfs/dbraw/zinc/27/12/81/609271281.db2.gz	JZAPYIPXGVOPAB-VQHVLOKHSA-N	-1	3	361.340	2.483	20	30		FEEDHM
Cn1cc(C=NNCc2ccccc2)c(-c2ccc(-c3nnn[n-]3)cc2)n1	ZINC000826360218	609304919	/nfs/dbraw/zinc/30/49/19/609304919.db2.gz	BTSIHDNWLMGQRY-UHFFFAOYSA-N	-1	3	358.409	2.391	20	30		FEEDHM
Cn1cc(C=NNCc2ccccc2)c(-c2ccc(-c3nn[n-]n3)cc2)n1	ZINC000826360218	609304920	/nfs/dbraw/zinc/30/49/20/609304920.db2.gz	BTSIHDNWLMGQRY-UHFFFAOYSA-N	-1	3	358.409	2.391	20	30		FEEDHM
CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCC(CC#N)CC1	ZINC000824206741	609422830	/nfs/dbraw/zinc/42/28/30/609422830.db2.gz	HSEHKLFEJTVQGF-QGZVFWFLSA-N	-1	3	368.441	2.422	20	30		FEEDHM
CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCC(CC#N)CC1	ZINC000824206741	609422833	/nfs/dbraw/zinc/42/28/33/609422833.db2.gz	HSEHKLFEJTVQGF-QGZVFWFLSA-N	-1	3	368.441	2.422	20	30		FEEDHM
O=C1[C@H](ON=Cc2cccs2)CCCN1c1ccc(-c2nnn[n-]2)cc1	ZINC000826477651	609428751	/nfs/dbraw/zinc/42/87/51/609428751.db2.gz	ILSJZDUTYAXAFT-OAHLLOKOSA-N	-1	3	368.422	2.474	20	30		FEEDHM
O=C1[C@H](ON=Cc2cccs2)CCCN1c1ccc(-c2nn[n-]n2)cc1	ZINC000826477651	609428753	/nfs/dbraw/zinc/42/87/53/609428753.db2.gz	ILSJZDUTYAXAFT-OAHLLOKOSA-N	-1	3	368.422	2.474	20	30		FEEDHM
Cc1sc(NC(=O)CN2CCC(CC#N)CC2)c(-c2nnn[n-]2)c1C	ZINC000826349606	609429080	/nfs/dbraw/zinc/42/90/80/609429080.db2.gz	NWCJMPGNGWUSMQ-UHFFFAOYSA-N	-1	3	359.459	2.109	20	30		FEEDHM
Cc1sc(NC(=O)CN2CCC(CC#N)CC2)c(-c2nn[n-]n2)c1C	ZINC000826349606	609429081	/nfs/dbraw/zinc/42/90/81/609429081.db2.gz	NWCJMPGNGWUSMQ-UHFFFAOYSA-N	-1	3	359.459	2.109	20	30		FEEDHM
C(=NNCc1ccc(-c2nnn[n-]2)cc1)c1cc(-n2ccnc2)cs1	ZINC000823861900	609468086	/nfs/dbraw/zinc/46/80/86/609468086.db2.gz	SNBYPFHLLMFZOT-UHFFFAOYSA-N	-1	3	350.411	2.238	20	30		FEEDHM
C(=NNCc1ccc(-c2nn[n-]n2)cc1)c1cc(-n2ccnc2)cs1	ZINC000823861900	609468087	/nfs/dbraw/zinc/46/80/87/609468087.db2.gz	SNBYPFHLLMFZOT-UHFFFAOYSA-N	-1	3	350.411	2.238	20	30		FEEDHM
COCCOc1ccc(-c2nnn[n-]2)cc1NCC#Cc1ccc(F)cc1	ZINC000826162148	609485935	/nfs/dbraw/zinc/48/59/35/609485935.db2.gz	PBJUWLWAJWROPP-UHFFFAOYSA-N	-1	3	367.384	2.495	20	30		FEEDHM
COCCOc1ccc(-c2nn[n-]n2)cc1NCC#Cc1ccc(F)cc1	ZINC000826162148	609485937	/nfs/dbraw/zinc/48/59/37/609485937.db2.gz	PBJUWLWAJWROPP-UHFFFAOYSA-N	-1	3	367.384	2.495	20	30		FEEDHM
Cn1c2cc([O-])c(NC(=O)c3ccc(Cl)c(C#N)c3)cc2n(C)c1=O	ZINC000562271187	674735707	/nfs/dbraw/zinc/73/57/07/674735707.db2.gz	SUCCGIPSICVULD-UHFFFAOYSA-N	-1	3	356.769	2.360	20	30		FEEDHM
COc1cc(C[N-]S(=O)(=O)c2cccnc2C#N)ccc1OC(F)F	ZINC000562376881	674748000	/nfs/dbraw/zinc/74/80/00/674748000.db2.gz	YZXUJCNPHRLUQI-UHFFFAOYSA-N	-1	3	369.349	2.042	20	30		FEEDHM
O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]N=Cc2ccc3oncc3c2)cc1	ZINC000814822040	674882205	/nfs/dbraw/zinc/88/22/05/674882205.db2.gz	FHEYXODGJPIGCF-UHFFFAOYSA-N	-1	3	360.351	2.190	20	30		FEEDHM
CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCN([O-])C1=O	ZINC000816753662	675077593	/nfs/dbraw/zinc/07/75/93/675077593.db2.gz	MVIFJDONJBNPKT-GFCCVEGCSA-N	-1	3	353.400	2.205	20	30		FEEDHM
O=C(N[C@@H]1CCCN([O-])C1=O)c1cnn(-c2ccc(Cl)cc2Cl)c1	ZINC000816755458	675077735	/nfs/dbraw/zinc/07/77/35/675077735.db2.gz	ATEFLLFLKGZHSG-GFCCVEGCSA-N	-1	3	369.208	2.289	20	30		FEEDHM
N#CC1(CS(=O)(=O)[N-][C@@H]2CCN(c3cccc(Cl)c3)C2=O)CCC1	ZINC000576790324	671394490	/nfs/dbraw/zinc/39/44/90/671394490.db2.gz	LIXIKYHELCZEQF-CQSZACIVSA-N	-1	3	367.858	2.059	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2c(C)onc2CC)ccc1F	ZINC000120902426	671937753	/nfs/dbraw/zinc/93/77/53/671937753.db2.gz	RDXMAFCUMPMQLO-UHFFFAOYSA-N	-1	3	367.402	2.401	20	30		FEEDHM
CC[C@](C)(C#N)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1	ZINC000127249821	672034320	/nfs/dbraw/zinc/03/43/20/672034320.db2.gz	HHYRJBZDGNODFP-MRXNPFEDSA-N	-1	3	355.435	2.325	20	30		FEEDHM
CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCC(C)(C)C#N)cc1	ZINC000611619054	676048160	/nfs/dbraw/zinc/04/81/60/676048160.db2.gz	MGQUJSOUVLVDAG-UHFFFAOYSA-N	-1	3	373.500	2.056	20	30		FEEDHM
COc1cc(Br)c(F)cc1S(=O)(=O)[N-]CC(C)(C)C#N	ZINC000611619597	676048343	/nfs/dbraw/zinc/04/83/43/676048343.db2.gz	ZGDVTQPVYLCUOD-UHFFFAOYSA-N	-1	3	365.224	2.425	20	30		FEEDHM
CS(=O)(=O)c1ccc(C(=O)[N-]c2sccc2C#N)cc1[N+](=O)[O-]	ZINC000193272492	672718407	/nfs/dbraw/zinc/71/84/07/672718407.db2.gz	QFNPFHQSTXGGDG-UHFFFAOYSA-N	-1	3	351.365	2.184	20	30		FEEDHM
COC(=O)[C@@H]([N-]S(=O)(=O)Cc1ccc(CC#N)cc1)C1CCCCC1	ZINC000592036396	672738682	/nfs/dbraw/zinc/73/86/82/672738682.db2.gz	VVRIBNFCGVDHEL-KRWDZBQOSA-N	-1	3	364.467	2.294	20	30		FEEDHM
COc1ccc([C@H](CN(C)C)[N-]S(=O)(=O)c2ccsc2C#N)cc1	ZINC000593593704	672953302	/nfs/dbraw/zinc/95/33/02/672953302.db2.gz	YRMQKJFLSXHRIU-AWEZNQCLSA-N	-1	3	365.480	2.210	20	30		FEEDHM
C=CCCSCC[N-]S(=O)(=O)c1ccc(Br)cn1	ZINC000594815131	673151211	/nfs/dbraw/zinc/15/12/11/673151211.db2.gz	LDUBALHMPPYSJU-UHFFFAOYSA-N	-1	3	351.291	2.432	20	30		FEEDHM
Cn1cc(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)c(=O)[nH]c1=O	ZINC000613407097	676127676	/nfs/dbraw/zinc/12/76/76/676127676.db2.gz	IUTKSPSPHZGIRX-MRVPVSSYSA-N	-1	3	360.782	2.239	20	30		FEEDHM
CC(=N[N-]c1[nH+]cnc2[n-]cnc21)c1ccc(S(=O)(=O)C(F)F)cc1	ZINC000735229580	673486863	/nfs/dbraw/zinc/48/68/63/673486863.db2.gz	JPWRZPJNEVWVEN-UHFFFAOYSA-N	-1	3	366.353	2.185	20	30		FEEDHM
C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)n1ccc(C=N[O-])nc1=O	ZINC000736302635	673519344	/nfs/dbraw/zinc/51/93/44/673519344.db2.gz	OMVZVLDJLCNGIK-VIFPVBQESA-N	-1	3	354.288	2.270	20	30		FEEDHM
N#Cc1cncc(S(=O)(=O)[N-][C@@H](CCc2ccccc2)C(F)F)c1	ZINC000599416081	673672524	/nfs/dbraw/zinc/67/25/24/673672524.db2.gz	BQWLZTNJUFCYOV-HNNXBMFYSA-N	-1	3	351.378	2.498	20	30		FEEDHM
CC(C)C(C)(C)NC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000742629421	673732856	/nfs/dbraw/zinc/73/28/56/673732856.db2.gz	CPQBEJICMBVETL-LBPRGKRZSA-N	-1	3	351.472	2.055	20	30		FEEDHM
N#Cc1ccccc1OS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1	ZINC000746401490	673876571	/nfs/dbraw/zinc/87/65/71/673876571.db2.gz	UKFXKHZDJIQGAX-UHFFFAOYSA-N	-1	3	361.770	2.159	20	30		FEEDHM
N#Cc1ccccc1OS(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1	ZINC000746401490	673876574	/nfs/dbraw/zinc/87/65/74/673876574.db2.gz	UKFXKHZDJIQGAX-UHFFFAOYSA-N	-1	3	361.770	2.159	20	30		FEEDHM
COc1ccc(C=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)cc1F	ZINC000746492449	673881487	/nfs/dbraw/zinc/88/14/87/673881487.db2.gz	SYARUYAIKRCMEY-UHFFFAOYSA-N	-1	3	367.358	2.196	20	30		FEEDHM
CC(C)(Cc1ccc(Br)cc1)C(=O)N[C@@H]1CCN([O-])C1=O	ZINC000820120427	675337224	/nfs/dbraw/zinc/33/72/24/675337224.db2.gz	NWTMPADKTBJTPA-GFCCVEGCSA-N	-1	3	355.232	2.124	20	30		FEEDHM
Cc1nc(SC2CCCC2)sc1CC(=O)N[C@H]1CCN([O-])C1=O	ZINC000820130929	675338226	/nfs/dbraw/zinc/33/82/26/675338226.db2.gz	CZWNEOHKCMZUID-NSHDSACASA-N	-1	3	355.485	2.135	20	30		FEEDHM
O=C(Cc1csc(-c2ccc(Cl)cc2)n1)N[C@H]1CCN([O-])C1=O	ZINC000820180244	675341507	/nfs/dbraw/zinc/34/15/07/675341507.db2.gz	WNGRTYREXRTGQH-LBPRGKRZSA-N	-1	3	351.815	2.112	20	30		FEEDHM
CCC[C@@H](NC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21)C1CCCC1	ZINC000838334443	680687147	/nfs/dbraw/zinc/68/71/47/680687147.db2.gz	TYVISJPAOBDRNT-OAHLLOKOSA-N	-1	3	363.483	2.200	20	30		FEEDHM
N#Cc1cccc(OCCCOC(=O)c2cc(-c3nnn[n-]3)cs2)c1	ZINC000822837170	675510231	/nfs/dbraw/zinc/51/02/31/675510231.db2.gz	IFSWZDRTSJMNCL-UHFFFAOYSA-N	-1	3	355.379	2.426	20	30		FEEDHM
N#Cc1cccc(OCCCOC(=O)c2cc(-c3nn[n-]n3)cs2)c1	ZINC000822837170	675510233	/nfs/dbraw/zinc/51/02/33/675510233.db2.gz	IFSWZDRTSJMNCL-UHFFFAOYSA-N	-1	3	355.379	2.426	20	30		FEEDHM
CCC[C@@H](C#N)[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1	ZINC000829713811	675888226	/nfs/dbraw/zinc/88/82/26/675888226.db2.gz	OMIHKEQQDUDUDB-ZETCQYMHSA-N	-1	3	352.641	2.468	20	30		FEEDHM
C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)Cc1ncsc1Br	ZINC000632414978	676992832	/nfs/dbraw/zinc/99/28/32/676992832.db2.gz	OSWLVORHYWRCDH-SCZZXKLOSA-N	-1	3	367.290	2.059	20	30		FEEDHM
COC(=O)C1(C#N)CCN(Cc2cccc([O-])c2Br)CC1	ZINC000839128868	680739997	/nfs/dbraw/zinc/73/99/97/680739997.db2.gz	HVIHCOJEIDOVMW-UHFFFAOYSA-N	-1	3	353.216	2.433	20	30		FEEDHM
CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N[C@H]1CC1(C)C	ZINC000839816353	680781015	/nfs/dbraw/zinc/78/10/15/680781015.db2.gz	HIZUQDVSCKWZFH-ZFWWWQNUSA-N	-1	3	363.483	2.199	20	30		FEEDHM
O=C1[C@@H](/N=C/c2cc(Br)ccc2[O-])CCN1C1CCOCC1	ZINC000747863482	679908624	/nfs/dbraw/zinc/90/86/24/679908624.db2.gz	DSGKQUQDGRYSKM-XKYMITNMSA-N	-1	3	367.243	2.354	20	30		FEEDHM
C[C@H](CC(=O)N1CC(C(C)(C)C)C1)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000837270591	680577279	/nfs/dbraw/zinc/57/72/79/680577279.db2.gz	OOJZWNSIEDOOHP-GFCCVEGCSA-N	-1	3	363.483	2.008	20	30		FEEDHM
COc1cc(C=Nn2c(C)nc3sccc3c2=O)c([N+](=O)[O-])cc1[O-]	ZINC000767216453	680902956	/nfs/dbraw/zinc/90/29/56/680902956.db2.gz	MRUJUMMOZLEOJH-UHFFFAOYSA-N	-1	3	360.351	2.271	20	30		FEEDHM
Cc1cc(C=Nn2c(=S)[n-]nc2[C@@H]2COc3ccccc3O2)nn1C	ZINC000841608497	680903336	/nfs/dbraw/zinc/90/33/36/680903336.db2.gz	HFCQRQYYPWBRTL-AWEZNQCLSA-N	-1	3	356.411	2.003	20	30		FEEDHM
CC(C)(C)[C@H]([N-]S(C)(=O)=O)C(=O)OCc1ccccc1C(C)(C)C#N	ZINC000770112866	681006129	/nfs/dbraw/zinc/00/61/29/681006129.db2.gz	HWNIJOXBWXUIGI-OAHLLOKOSA-N	-1	3	366.483	2.495	20	30		FEEDHM
C=C[C@@H](C)O[N-]C(=O)Cc1ccc(S(=O)(=O)CC(F)(F)F)cc1	ZINC000846545363	681258335	/nfs/dbraw/zinc/25/83/35/681258335.db2.gz	NRFNOYPVWWLRER-SNVBAGLBSA-N	-1	3	351.346	2.187	20	30		FEEDHM
C[C@@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)N[C@@H]1CCCN([O-])C1=O	ZINC000848131482	681477480	/nfs/dbraw/zinc/47/74/80/681477480.db2.gz	HDJOZQXMDVIBRK-GXFFZTMASA-N	-1	3	360.332	2.260	20	30		FEEDHM
O=C(N[C@H]1CCCN([O-])C1=O)[C@@H]1C[C@H]1c1cccc(Br)c1	ZINC000848133006	681478081	/nfs/dbraw/zinc/47/80/81/681478081.db2.gz	XZWPFYCPUUAWRR-XQQFMLRXSA-N	-1	3	353.216	2.049	20	30		FEEDHM
O=C(Cc1ccc(Br)c(Cl)c1)N[C@@H]1CCCN([O-])C1=O	ZINC000848134126	681478111	/nfs/dbraw/zinc/47/81/11/681478111.db2.gz	OCHQTXTWWHVFJP-LLVKDONJSA-N	-1	3	361.623	2.141	20	30		FEEDHM
O=C(N[C@H]1CCCN([O-])C1=O)c1cc2c(cccc2Br)[nH]1	ZINC000848138613	681478615	/nfs/dbraw/zinc/47/86/15/681478615.db2.gz	OPKVLWKQCRVKLX-NSHDSACASA-N	-1	3	352.188	2.040	20	30		FEEDHM
O=C(CCCc1ccccc1Br)N[C@@H]1CCCN([O-])C1=O	ZINC000848136521	681478660	/nfs/dbraw/zinc/47/86/60/681478660.db2.gz	OACYEUQNQDRMNO-CYBMUJFWSA-N	-1	3	355.232	2.268	20	30		FEEDHM
COc1cccc(-c2noc([C@@H](C)[N-]S(=O)(=O)CC(C)(C)C#N)n2)c1	ZINC000790029816	682649473	/nfs/dbraw/zinc/64/94/73/682649473.db2.gz	RWNMULCONUSKRI-LLVKDONJSA-N	-1	3	364.427	2.275	20	30		FEEDHM
O=S1(=O)[N-]C(=NN=Cc2c(O)ccc(Cl)c2F)c2ccccc21	ZINC000790153507	682658740	/nfs/dbraw/zinc/65/87/40/682658740.db2.gz	HHDRCWYMJRIGHU-UHFFFAOYSA-N	-1	3	353.762	2.257	20	30		FEEDHM
CC(C)C[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N1CC(C)(C)C1	ZINC000790236339	682661480	/nfs/dbraw/zinc/66/14/80/682661480.db2.gz	GBRMCNSNYPOJMS-CQSZACIVSA-N	-1	3	363.483	2.008	20	30		FEEDHM
CC(C)[N-]S(=O)(=O)c1cc(C(=O)N([C@H](C)C#N)C2CC2)ccc1F	ZINC000855583988	682690242	/nfs/dbraw/zinc/69/02/42/682690242.db2.gz	LXYVTIUKQJJXHH-LLVKDONJSA-N	-1	3	353.419	2.029	20	30		FEEDHM
CCC1(CC)CCCN(C(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)C1	ZINC000855822119	682716131	/nfs/dbraw/zinc/71/61/31/682716131.db2.gz	ZSULQCATHUEBEA-UHFFFAOYSA-N	-1	3	363.483	2.154	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C(C)C)C2CC2)ccc1F	ZINC000856126111	682743919	/nfs/dbraw/zinc/74/39/19/682743919.db2.gz	PNBRORHHIAAOMP-INIZCTEOSA-N	-1	3	354.447	2.454	20	30		FEEDHM
C#CC[C@H](COC)[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)OC	ZINC000859427882	683108181	/nfs/dbraw/zinc/10/81/81/683108181.db2.gz	PRNVOVKHJAVFSE-LLVKDONJSA-N	-1	3	367.448	2.005	20	30		FEEDHM
C[C@](C#N)(NC(=O)COC(=O)c1cc([O-])cc(Br)c1)C1CC1	ZINC000860202864	683215817	/nfs/dbraw/zinc/21/58/17/683215817.db2.gz	RSDZDKNGGOCGHR-OAHLLOKOSA-N	-1	3	367.199	2.120	20	30		FEEDHM
CS[C@H](C)[C@H](C)OC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000797225127	683232871	/nfs/dbraw/zinc/23/28/71/683232871.db2.gz	TZFYLJAHEYVICO-GRYCIOLGSA-N	-1	3	370.496	2.187	20	30		FEEDHM
CCN(CC)c1ncc(C=N[N-]S(=O)(=O)Cc2ccccc2)s1	ZINC000920383016	683337924	/nfs/dbraw/zinc/33/79/24/683337924.db2.gz	FCEGLTYQOSAEDR-UHFFFAOYSA-N	-1	3	352.485	2.443	20	30		FEEDHM
CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OCC(C)(F)F	ZINC000861227389	683372559	/nfs/dbraw/zinc/37/25/59/683372559.db2.gz	UKVDVDMDZBZZBR-LBPRGKRZSA-N	-1	3	374.409	2.482	20	30		FEEDHM
CC(=NNCCCN1CCOCC1)c1cc(Br)ccc1[O-]	ZINC000799487042	683459514	/nfs/dbraw/zinc/45/95/14/683459514.db2.gz	ZXDFPYLKKGUDNL-UHFFFAOYSA-N	-1	3	356.264	2.191	20	30		FEEDHM
CN(C)[C@H](CC[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C(F)(F)F	ZINC000921633236	683527156	/nfs/dbraw/zinc/52/71/56/683527156.db2.gz	JSWLCNHKKCICQZ-GFCCVEGCSA-N	-1	3	369.796	2.373	20	30		FEEDHM
C#C[C@@H]1CCCCN1C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1	ZINC000929910437	683654623	/nfs/dbraw/zinc/65/46/23/683654623.db2.gz	ISFYTIOSCGKEBP-CQSZACIVSA-N	-1	3	365.455	2.476	20	30		FEEDHM
COCCn1ncc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)c1C	ZINC000870138428	684687014	/nfs/dbraw/zinc/68/70/14/684687014.db2.gz	FGUVODFGPTUDIW-LBPRGKRZSA-N	-1	3	360.801	2.453	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@@H]2CCC[C@H]2C#N)ccc1F	ZINC000870673814	684743632	/nfs/dbraw/zinc/74/36/32/684743632.db2.gz	FQQNXAIBGKQNHK-DZGCQCFKSA-N	-1	3	365.430	2.054	20	30		FEEDHM
CCOc1cc(Br)ccc1NC(=O)N[C@H]1CCCN([O-])C1=O	ZINC000878956722	686700290	/nfs/dbraw/zinc/70/02/90/686700290.db2.gz	UGDDVGWHVUYWCS-NSHDSACASA-N	-1	3	372.219	2.350	20	30		FEEDHM
Cc1c(Br)ccc(NC(=O)N[C@H]2CCCN([O-])C2=O)c1F	ZINC000879418959	686818484	/nfs/dbraw/zinc/81/84/84/686818484.db2.gz	WNWZDFWAMDWXFB-JTQLQIEISA-N	-1	3	360.183	2.398	20	30		FEEDHM
O=C(Nc1cccc(Cl)c1OCC(F)F)N[C@@H]1CCCN([O-])C1=O	ZINC000879586244	686863931	/nfs/dbraw/zinc/86/39/31/686863931.db2.gz	ABJNZXHAOUKELW-SNVBAGLBSA-N	-1	3	363.748	2.486	20	30		FEEDHM
Cc1ccc(F)c(Br)c1NC(=O)N[C@@H]1CCCN([O-])C1=O	ZINC000879706708	686892076	/nfs/dbraw/zinc/89/20/76/686892076.db2.gz	RLVOMMLQZAAIKX-SECBINFHSA-N	-1	3	360.183	2.398	20	30		FEEDHM
N#Cc1ccc(NC(=S)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)cc1Cl	ZINC000899677855	690404038	/nfs/dbraw/zinc/40/40/38/690404038.db2.gz	IKFAPRMRZAGJBB-GFCCVEGCSA-N	-1	3	374.857	2.273	20	30		FEEDHM
C[C@H](CC(=O)NC1CCC=CCC1)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000899804558	690423526	/nfs/dbraw/zinc/42/35/26/690423526.db2.gz	QDJCCSMEIHHHMM-CYBMUJFWSA-N	-1	3	361.467	2.119	20	30		FEEDHM
CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)N([O-])Cc1ccc(F)cc1	ZINC000901375039	690641632	/nfs/dbraw/zinc/64/16/32/690641632.db2.gz	BTSIORDJCHHPPI-OAHLLOKOSA-N	-1	3	358.435	2.138	20	30		FEEDHM
CS[C@H](C)CCC(=O)N([O-])CCCN1C(=O)c2ccccc2C1=O	ZINC000904184291	691010608	/nfs/dbraw/zinc/01/06/08/691010608.db2.gz	OGSKNAIOMODNIR-GFCCVEGCSA-N	-1	3	350.440	2.422	20	30		FEEDHM
O=C([C@@H]1CS(=O)(=O)C[C@H]1C(F)(F)F)N([O-])Cc1ccccc1Cl	ZINC000904192414	691011624	/nfs/dbraw/zinc/01/16/24/691011624.db2.gz	KZJQCUPUKTXLJW-NXEZZACHSA-N	-1	3	371.764	2.281	20	30		FEEDHM
C#CCCc1noc([C@H](CCSC)[N-]S(=O)(=O)c2ccccc2)n1	ZINC000906102608	691232472	/nfs/dbraw/zinc/23/24/72/691232472.db2.gz	JKGORAJDXVTTQR-AWEZNQCLSA-N	-1	3	365.480	2.408	20	30		FEEDHM
C#CCN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1)C(C)(C)C	ZINC000906274267	691248266	/nfs/dbraw/zinc/24/82/66/691248266.db2.gz	PJHITKTWUIYQGN-UHFFFAOYSA-N	-1	3	354.447	2.386	20	30		FEEDHM
C=CCCC[C@H](NC(=O)NCC1(N2CCSCC2)CCCC1)C(=O)[O-]	ZINC000908851459	691740444	/nfs/dbraw/zinc/74/04/44/691740444.db2.gz	MAKLTOQFYMIPQS-HNNXBMFYSA-N	-1	3	369.531	2.457	20	30		FEEDHM
C=C(Cl)C[C@H](NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C)C(=O)[O-]	ZINC000909071398	691774422	/nfs/dbraw/zinc/77/44/22/691774422.db2.gz	XMLBUSYCQJJTRF-KCXAZCMYSA-N	-1	3	365.861	2.402	20	30		FEEDHM
C#CCN1CCC(C(=O)N[C@]2(C(=O)[O-])CC[C@H](C)c3ccccc32)CC1	ZINC001263635603	939829502	/nfs/dbraw/zinc/82/95/02/939829502.db2.gz	NJVORQCJGWOYDT-YCRPNKLZSA-N	-1	3	354.450	2.325	20	30		FEEDHM
CCNC(=O)c1cccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1	ZINC000015813195	539624353	/nfs/dbraw/zinc/62/43/53/539624353.db2.gz	NKLPJUHWJJOJES-UHFFFAOYSA-N	-1	3	366.421	2.184	20	30		FEEDHM
COC(=O)c1cc([N-]S(=O)(=O)c2cccc(C#N)c2)c(F)cc1F	ZINC000024428270	539730435	/nfs/dbraw/zinc/73/04/35/539730435.db2.gz	KORAKTJRLYMRLY-UHFFFAOYSA-N	-1	3	352.318	2.424	20	30		FEEDHM
COC(=O)c1sccc1S(=O)(=O)[N-][C@H](C)c1ccc(C#N)cc1	ZINC000030360084	539880363	/nfs/dbraw/zinc/88/03/63/539880363.db2.gz	GCGLIDDLFKAINT-SNVBAGLBSA-N	-1	3	350.421	2.446	20	30		FEEDHM
Cc1ncc(CO)c(/C=N/c2ccc(N3C(=O)CCCC3=O)cc2)c1[O-]	ZINC000031643070	539914225	/nfs/dbraw/zinc/91/42/25/539914225.db2.gz	FEHTXAILDVPOFE-UFFVCSGVSA-N	-1	3	353.378	2.382	20	30		FEEDHM
C[C@H](NC(=O)CNC(=O)c1c[n-]c2ccccc2c1=O)c1ccc(C#N)cc1	ZINC000052505511	540468881	/nfs/dbraw/zinc/46/88/81/540468881.db2.gz	DIHGBRLLIUFLPJ-ZDUSSCGKSA-N	-1	3	374.400	2.007	20	30		FEEDHM
O=C(N=C1[N-]C(=O)CN1)[C@H]1CC(=O)N(c2ccc3c(c2)Cc2ccccc2-3)C1	ZINC000054100871	540568762	/nfs/dbraw/zinc/56/87/62/540568762.db2.gz	KQUYWMYHNKUAPK-AWEZNQCLSA-N	-1	3	374.400	2.053	20	30		FEEDHM
C[C@H](Cn1cccn1)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000056052964	540697441	/nfs/dbraw/zinc/69/74/41/540697441.db2.gz	MHXZWCRITXDXJV-SNVBAGLBSA-N	-1	3	358.345	2.141	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ncccc1OC(F)F	ZINC000057697156	540809178	/nfs/dbraw/zinc/80/91/78/540809178.db2.gz	XDUXQDCAHGJAJQ-UHFFFAOYSA-N	-1	3	362.336	2.431	20	30		FEEDHM
CCOc1ccccc1C(=O)NCC(=O)Nc1nnc(-c2ccco2)[n-]1	ZINC000073974052	542021414	/nfs/dbraw/zinc/02/14/14/542021414.db2.gz	CVALMOIOGMEZKO-UHFFFAOYSA-N	-1	3	355.354	2.481	20	30		FEEDHM
CCOc1ccccc1C(=O)NCC(=O)Nc1nc(-c2ccco2)n[n-]1	ZINC000073974052	542021416	/nfs/dbraw/zinc/02/14/16/542021416.db2.gz	CVALMOIOGMEZKO-UHFFFAOYSA-N	-1	3	355.354	2.481	20	30		FEEDHM
CCOc1ccccc1C(=O)NCC(=O)Nc1n[n-]c(-c2ccco2)n1	ZINC000073974052	542021419	/nfs/dbraw/zinc/02/14/19/542021419.db2.gz	CVALMOIOGMEZKO-UHFFFAOYSA-N	-1	3	355.354	2.481	20	30		FEEDHM
COCCOc1ncccc1C([O-])=C(C#N)c1nc2ccccc2n1C	ZINC000093242929	542920421	/nfs/dbraw/zinc/92/04/21/542920421.db2.gz	KYVUSCDSNOGAFM-CQSZACIVSA-N	-1	3	350.378	2.484	20	30		FEEDHM
CCC[C@@H](C#N)[N-]S(=O)(=O)c1ccc(CCNC(=O)CC(C)C)s1	ZINC000093928671	542946557	/nfs/dbraw/zinc/94/65/57/542946557.db2.gz	IBMDXPUTJPLWCM-ZDUSSCGKSA-N	-1	3	371.528	2.423	20	30		FEEDHM
CC[C@H](C#N)NC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl	ZINC000102351710	543066128	/nfs/dbraw/zinc/06/61/28/543066128.db2.gz	ONOLXWFOEIEUCO-SECBINFHSA-N	-1	3	364.254	2.080	20	30		FEEDHM
CC(C)CCN(CCC#N)C(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F	ZINC000103440782	543107739	/nfs/dbraw/zinc/10/77/39/543107739.db2.gz	PXFAVQIWPUUVAL-AWEZNQCLSA-N	-1	3	369.462	2.281	20	30		FEEDHM
COc1ccc([O-])c(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)c1	ZINC000114309147	543509778	/nfs/dbraw/zinc/50/97/78/543509778.db2.gz	KVGUGSGHCBSUOT-MRXNPFEDSA-N	-1	3	351.406	2.251	20	30		FEEDHM
C=CCCS(=O)(=O)[N-]c1cc(S(=O)(=O)N(C)C(C)C)ccc1C	ZINC000120072369	543675277	/nfs/dbraw/zinc/67/52/77/543675277.db2.gz	TYQIOAVANGRJFF-UHFFFAOYSA-N	-1	3	360.501	2.342	20	30		FEEDHM
COc1ccc([C@H](C#N)N2CCN(C(=O)c3ccccc3[O-])CC2)cc1	ZINC000123515919	543766334	/nfs/dbraw/zinc/76/63/34/543766334.db2.gz	IQZRFKDTUSAILN-SFHVURJKSA-N	-1	3	351.406	2.423	20	30		FEEDHM
N#Cc1cccc(OCCCN2CCN(C(=O)c3cccc([O-])c3)CC2)c1	ZINC000128412213	544050696	/nfs/dbraw/zinc/05/06/96/544050696.db2.gz	KZMWEGJNUAOQSN-UHFFFAOYSA-N	-1	3	365.433	2.491	20	30		FEEDHM
N#Cc1cc(F)c(C(=O)N2CCN(C(=O)c3cccc([O-])c3)CC2)c(F)c1	ZINC000130357990	544148013	/nfs/dbraw/zinc/14/80/13/544148013.db2.gz	CULGLVIZPIKNAY-UHFFFAOYSA-N	-1	3	371.343	2.140	20	30		FEEDHM
C[C@@H](CC#N)N(C)C(=O)Cc1csc(NC(=O)c2cccc([O-])c2)n1	ZINC000136999131	544382302	/nfs/dbraw/zinc/38/23/02/544382302.db2.gz	QNGPHBPYHKJNHG-NSHDSACASA-N	-1	3	358.423	2.404	20	30		FEEDHM
N#CCCCCS(=O)(=O)[N-][C@H]1CCN(c2ccc(Cl)cc2)C1=O	ZINC000151510254	544550965	/nfs/dbraw/zinc/55/09/65/544550965.db2.gz	VGIYYZSXCVOVBB-AWEZNQCLSA-N	-1	3	355.847	2.059	20	30		FEEDHM
C=CCCC(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl	ZINC000552945699	674230721	/nfs/dbraw/zinc/23/07/21/674230721.db2.gz	BPNNWXKSCYNORR-UHFFFAOYSA-N	-1	3	351.255	2.354	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC[C@](C)(O)c1ccccc1	ZINC000187468401	328028134	/nfs/dbraw/zinc/02/81/34/328028134.db2.gz	VVPVCEOGAFWEEU-NRFANRHFSA-N	-1	3	367.449	2.210	20	30		FEEDHM
Cc1ccc(OCCNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1	ZINC000015533031	324384037	/nfs/dbraw/zinc/38/40/37/324384037.db2.gz	XCTBCHNNQNBYDZ-UHFFFAOYSA-N	-1	3	353.422	2.300	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(OCC(C)C)CC1	ZINC000055910566	324791877	/nfs/dbraw/zinc/79/18/77/324791877.db2.gz	SUAQNESDOLXESW-UHFFFAOYSA-N	-1	3	359.470	2.460	20	30		FEEDHM
CCc1nn(CC(=O)[N-]c2cc(C(C)(C)C)no2)c(=O)c(C#N)c1CC	ZINC000078610666	325053535	/nfs/dbraw/zinc/05/35/35/325053535.db2.gz	JNVLFGLYUXOPHQ-UHFFFAOYSA-N	-1	3	357.414	2.164	20	30		FEEDHM
N#Cc1cccc(CS(=O)(=O)[N-]CC(=O)Nc2ccc(Cl)cc2)c1	ZINC000097093862	325457838	/nfs/dbraw/zinc/45/78/38/325457838.db2.gz	PVEMOYGORKNUIC-UHFFFAOYSA-N	-1	3	363.826	2.270	20	30		FEEDHM
N#Cc1cc(F)ccc1S(=O)(=O)[N-]Cc1cnn(Cc2ccccc2)c1	ZINC000156508816	326833890	/nfs/dbraw/zinc/83/38/90/326833890.db2.gz	MNQRXIIGJXVMTH-UHFFFAOYSA-N	-1	3	370.409	2.421	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)[C@@H](CCO)c1ccccc1	ZINC000158541769	326899293	/nfs/dbraw/zinc/89/92/93/326899293.db2.gz	DNUWOWSIXABEQL-IBGZPJMESA-N	-1	3	367.449	2.378	20	30		FEEDHM
N#Cc1cccnc1N1CCCN(C(=O)NCc2ccc([O-])c(F)c2)CC1	ZINC000163635687	327055902	/nfs/dbraw/zinc/05/59/02/327055902.db2.gz	OQRGFRNZLXNIEP-UHFFFAOYSA-N	-1	3	369.400	2.220	20	30		FEEDHM
CC[C@@H]([N-]S(=O)(=O)c1ccccc1C#N)c1nnc2n1CCCCC2	ZINC000269677974	329539474	/nfs/dbraw/zinc/53/94/74/329539474.db2.gz	RHUGQOKEVYPQMO-CQSZACIVSA-N	-1	3	359.455	2.306	20	30		FEEDHM
COc1cc(C[N-]S(=O)(=O)c2ccc(F)c(F)c2F)ccc1C#N	ZINC000554970561	674343742	/nfs/dbraw/zinc/34/37/42/674343742.db2.gz	LGWJLBFHNTXJLM-UHFFFAOYSA-N	-1	3	356.325	2.463	20	30		FEEDHM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]CCOC1CCCCCC1	ZINC000157718047	545774065	/nfs/dbraw/zinc/77/40/65/545774065.db2.gz	VCMIZXBGVIGFBI-UHFFFAOYSA-N	-1	3	367.427	2.484	20	30		FEEDHM
N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H]1CCN(c2ccccn2)C1	ZINC000159317190	545942512	/nfs/dbraw/zinc/94/25/12/545942512.db2.gz	FZOBEOWVVNWWHM-LBPRGKRZSA-N	-1	3	362.842	2.164	20	30		FEEDHM
COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1)c1ccc(C)c(C)c1	ZINC000184259262	547796483	/nfs/dbraw/zinc/79/64/83/547796483.db2.gz	HNVNBECBIITDNT-KRWDZBQOSA-N	-1	3	358.419	2.368	20	30		FEEDHM
COc1ccccc1[C@H](C[N-]S(=O)(=O)CC1(C#N)CC1)OC(C)C	ZINC000185186880	547947998	/nfs/dbraw/zinc/94/79/98/547947998.db2.gz	YEXREEYHMRZOJJ-INIZCTEOSA-N	-1	3	352.456	2.384	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]CCCOC(F)F)c(C(F)(F)F)c1	ZINC000193969913	548415608	/nfs/dbraw/zinc/41/56/08/548415608.db2.gz	WWLFACQIBAEWIL-UHFFFAOYSA-N	-1	3	358.288	2.485	20	30		FEEDHM
CC(C)c1nc2n(n1)CCC[C@H]2[N-]S(=O)(=O)c1ccc(C#N)c(F)c1	ZINC000489582099	561414705	/nfs/dbraw/zinc/41/47/05/561414705.db2.gz	UROZZAMEGKSUBY-CQSZACIVSA-N	-1	3	363.418	2.226	20	30		FEEDHM
CC(C)([N-]S(=O)(=O)c1ccc(C#N)nc1)c1cc(C(F)(F)F)on1	ZINC000490475856	561433988	/nfs/dbraw/zinc/43/39/88/561433988.db2.gz	GLADGDIXDFFQJG-UHFFFAOYSA-N	-1	3	360.317	2.174	20	30		FEEDHM
COC(=O)NCCc1ccc(S(=O)(=O)[N-]C2(C#N)CCCCC2)s1	ZINC000276245885	550577642	/nfs/dbraw/zinc/57/76/42/550577642.db2.gz	KAKUPTMOIIWCEU-UHFFFAOYSA-N	-1	3	371.484	2.151	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-][C@H]1CCO[C@H]1c1ccc(F)c(F)c1	ZINC000277176029	550640312	/nfs/dbraw/zinc/64/03/12/550640312.db2.gz	NALSSHWZGCVYPJ-BBRMVZONSA-N	-1	3	365.361	2.040	20	30		FEEDHM
N#C[C@H](c1ccccc1)N1CCN(C(=O)c2cc(F)cc3[n-]nnc32)CC1	ZINC000277536276	550681663	/nfs/dbraw/zinc/68/16/63/550681663.db2.gz	VBAKSJWVWCEJTJ-QGZVFWFLSA-N	-1	3	364.384	2.120	20	30		FEEDHM
N#C[C@H](c1ccccc1)N1CCN(C(=O)c2cc(F)cc3nn[n-]c32)CC1	ZINC000277536276	550681664	/nfs/dbraw/zinc/68/16/64/550681664.db2.gz	VBAKSJWVWCEJTJ-QGZVFWFLSA-N	-1	3	364.384	2.120	20	30		FEEDHM
N#C[C@H](c1ccccc1)N1CCN(C(=O)c2cc(F)cc3n[n-]nc32)CC1	ZINC000277536276	550681666	/nfs/dbraw/zinc/68/16/66/550681666.db2.gz	VBAKSJWVWCEJTJ-QGZVFWFLSA-N	-1	3	364.384	2.120	20	30		FEEDHM
CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)c2ccc([N+](=O)[O-])[nH]2)C1=O	ZINC000280678724	551020492	/nfs/dbraw/zinc/02/04/92/551020492.db2.gz	DMUGCKOCLSHFMH-INIZCTEOSA-N	-1	3	365.390	2.239	20	30		FEEDHM
CCOC(=O)CSc1nnc([N-]C(=O)c2cc(C#N)oc2C)s1	ZINC000280781662	551031547	/nfs/dbraw/zinc/03/15/47/551031547.db2.gz	PLEKIILESCEYAL-UHFFFAOYSA-N	-1	3	352.397	2.219	20	30		FEEDHM
C#C[C@H]([N-]C(=O)C(F)(F)c1ccc(OCC(=O)N(C)C)cc1)C(C)C	ZINC000281908502	551156383	/nfs/dbraw/zinc/15/63/83/551156383.db2.gz	GLGYJANOIFZZRG-HNNXBMFYSA-N	-1	3	352.381	2.019	20	30		FEEDHM
N#CC1CCC(C[N-]S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)CC1	ZINC000282490005	551236393	/nfs/dbraw/zinc/23/63/93/551236393.db2.gz	JSXXTVFXCRBJEP-UHFFFAOYSA-N	-1	3	365.430	2.319	20	30		FEEDHM
COC(=O)c1c(C)csc1[N-]C(=O)C(=O)N(C)Cc1cccc(C#N)c1	ZINC000498185056	561517931	/nfs/dbraw/zinc/51/79/31/561517931.db2.gz	RWHHUBAMLXZRQI-UHFFFAOYSA-N	-1	3	371.418	2.312	20	30		FEEDHM
CO[C@@H](C)c1nc(C[N-]S(=O)(=O)Cc2cc(C#N)ccc2F)cs1	ZINC000501011645	561587655	/nfs/dbraw/zinc/58/76/55/561587655.db2.gz	DPDXZWAIDPJJCD-JTQLQIEISA-N	-1	3	369.443	2.481	20	30		FEEDHM
CC(C)(C)CCS(=O)(=O)[N-][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000503766539	561647975	/nfs/dbraw/zinc/64/79/75/561647975.db2.gz	SYVYEURQELRBBL-MRXNPFEDSA-N	-1	3	363.483	2.409	20	30		FEEDHM
CCS(=O)(=O)[N-]c1ccc(NC(=O)C2(C#N)CCCC2)cc1OC	ZINC000299070642	553511543	/nfs/dbraw/zinc/51/15/43/553511543.db2.gz	QOZMRLYWAIUXRU-UHFFFAOYSA-N	-1	3	351.428	2.479	20	30		FEEDHM
Cc1ncc(CO)c(/C=N/C[C@H](c2cccc(F)c2)N2CCOCC2)c1[O-]	ZINC000299280428	553541511	/nfs/dbraw/zinc/54/15/11/553541511.db2.gz	BRSCTOWARPGPIC-AZHVYHFMSA-N	-1	3	373.428	2.219	20	30		FEEDHM
Cc1ncc(CO)c(/C=N/C[C@@H](c2cccc(F)c2)N2CCOCC2)c1[O-]	ZINC000299280433	553541542	/nfs/dbraw/zinc/54/15/42/553541542.db2.gz	BRSCTOWARPGPIC-QKXOWGBTSA-N	-1	3	373.428	2.219	20	30		FEEDHM
Cn1cc(I)c(=NC(=O)C2(C#N)CCCCC2)[n-]1	ZINC000602382054	553573390	/nfs/dbraw/zinc/57/33/90/553573390.db2.gz	PEPGCTSGFDIZCS-UHFFFAOYSA-N	-1	3	358.183	2.437	20	30		FEEDHM
Cc1nc(C)c(CC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)c(=O)[n-]1	ZINC000505155178	561666936	/nfs/dbraw/zinc/66/69/36/561666936.db2.gz	QNFCDRLWUWPWSJ-UHFFFAOYSA-N	-1	3	366.421	2.283	20	30		FEEDHM
C[C@](CO)([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)c1ccccc1	ZINC000322739425	553768613	/nfs/dbraw/zinc/76/86/13/553768613.db2.gz	ZSSNVYNFBZZARB-MRXNPFEDSA-N	-1	3	350.827	2.398	20	30		FEEDHM
N#Cc1ccc(N2CCC[C@@H](NC(=O)C[C@@H]3NC(=O)[N-]C3=O)C2)c(F)c1	ZINC000328938717	553849252	/nfs/dbraw/zinc/84/92/52/553849252.db2.gz	GTSQDBJMCOJHSS-YPMHNXCESA-N	-1	3	359.361	2.265	20	30		FEEDHM
C[C@]1(c2cccc(C(=O)N[C@@H]3CCO[C@]4(CCOC4)C3)c2)NC(=O)[N-]C1=O	ZINC000329117718	553883522	/nfs/dbraw/zinc/88/35/22/553883522.db2.gz	NZGRHLDUHQJLSU-NIKGAXFTSA-N	-1	3	373.409	2.429	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(c2ncc[nH]2)CC1	ZINC000329276084	553915603	/nfs/dbraw/zinc/91/56/03/553915603.db2.gz	KFEQOBMETXTDMA-UHFFFAOYSA-N	-1	3	353.426	2.338	20	30		FEEDHM
N#Cc1ccc(N2CCC[C@@H]([N-]S(=O)(=O)C3CCCCC3)C2=O)cc1	ZINC000329513833	553960598	/nfs/dbraw/zinc/96/05/98/553960598.db2.gz	NXGHWXBHPFEVNZ-QGZVFWFLSA-N	-1	3	361.467	2.306	20	30		FEEDHM
Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)N[C@H]2CCCOC2)CCCC1	ZINC000329885568	554024821	/nfs/dbraw/zinc/02/48/21/554024821.db2.gz	UVMNBVHNPJSRKF-ZDUSSCGKSA-N	-1	3	371.459	2.018	20	30		FEEDHM
C[C@H](CN1CCCCC1)NC(=O)N=c1[n-]nc(CC(F)(F)F)s1	ZINC000331189594	554228061	/nfs/dbraw/zinc/22/80/61/554228061.db2.gz	WBGYMEQAUTUGNJ-SECBINFHSA-N	-1	3	351.398	2.843	20	30		FEEDHM
N#C[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br	ZINC000331343624	554248913	/nfs/dbraw/zinc/24/89/13/554248913.db2.gz	PAPDMHCFQATINZ-KCJUWKMLSA-N	-1	3	374.216	2.328	20	30		FEEDHM
C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)N=c1[n-]n(C)cc1C#N	ZINC000610562091	554529310	/nfs/dbraw/zinc/52/93/10/554529310.db2.gz	ILVGAZQZIKGDGR-OAHLLOKOSA-N	-1	3	352.442	2.420	20	30		FEEDHM
CN(C(=O)N=c1[n-]n(C)cc1C#N)C1CCN(Cc2ccccc2)CC1	ZINC000610561884	554529397	/nfs/dbraw/zinc/52/93/97/554529397.db2.gz	FGAVAMVOVNOYRY-UHFFFAOYSA-N	-1	3	352.442	2.420	20	30		FEEDHM
Cn1cc(C#N)c(=NC(=O)NCC2CCN(Cc3cccs3)CC2)[n-]1	ZINC000610565274	554530720	/nfs/dbraw/zinc/53/07/20/554530720.db2.gz	YJQLNQWEAPNABP-UHFFFAOYSA-N	-1	3	358.471	2.387	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCc3c[nH]nc3C2)c(C(F)(F)F)c1	ZINC000366033439	555732880	/nfs/dbraw/zinc/73/28/80/555732880.db2.gz	QZCSDHBMHMKDJG-NSHDSACASA-N	-1	3	370.356	2.136	20	30		FEEDHM
COc1cc(C(=O)N2CCC[C@@]3(CCCCO3)[C@@H]2C#N)cc(OC)c1[O-]	ZINC000366187856	555775841	/nfs/dbraw/zinc/77/58/41/555775841.db2.gz	ZIEMVSVGYGWUQP-LPHOPBHVSA-N	-1	3	360.410	2.477	20	30		FEEDHM
Cc1cccc2c1OC[C@H]([N-]S(=O)(=O)Cc1cc(C#N)ccc1F)C2	ZINC000514760653	561977898	/nfs/dbraw/zinc/97/78/98/561977898.db2.gz	RRCOQEPZZRZHTO-MRXNPFEDSA-N	-1	3	360.410	2.429	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-][C@@H](c1ccccc1)C1CCOCC1	ZINC000372992794	557605722	/nfs/dbraw/zinc/60/57/22/557605722.db2.gz	ZACULJWRKXTGCZ-SFHVURJKSA-N	-1	3	357.435	2.399	20	30		FEEDHM
C=CC[C@H](CC)NC(=O)N1CCC[C@@H](c2n[nH]cc2[N-]S(C)(=O)=O)C1	ZINC000374279231	557857207	/nfs/dbraw/zinc/85/72/07/557857207.db2.gz	JNLDYWUNVFFQRS-OLZOCXBDSA-N	-1	3	369.491	2.025	20	30		FEEDHM
C=CC[C@H](CC)NC(=O)N1CCC[C@@H](c2[nH]ncc2[N-]S(C)(=O)=O)C1	ZINC000374279231	557857208	/nfs/dbraw/zinc/85/72/08/557857208.db2.gz	JNLDYWUNVFFQRS-OLZOCXBDSA-N	-1	3	369.491	2.025	20	30		FEEDHM
C[C@H](CC#N)N(C)S(=O)(=O)[N-][C@@H](C)c1nc(-c2ccc(F)cc2)no1	ZINC000374547905	557897971	/nfs/dbraw/zinc/89/79/71/557897971.db2.gz	DUQHODRIHVRLHQ-MNOVXSKESA-N	-1	3	367.406	2.005	20	30		FEEDHM
Cc1cccc2c1[n-]cc(C(=O)N1CCN(c3ccc(C#N)nc3)CC1)c2=O	ZINC000374993595	557960695	/nfs/dbraw/zinc/96/06/95/557960695.db2.gz	FHIVVEJHNONRBQ-UHFFFAOYSA-N	-1	3	373.416	2.066	20	30		FEEDHM
Cc1cccc(F)c1S(=O)(=O)[N-]C1CCN(c2ccc(C#N)cn2)CC1	ZINC000375381708	558018117	/nfs/dbraw/zinc/01/81/17/558018117.db2.gz	UGXCIFIJINOREB-UHFFFAOYSA-N	-1	3	374.441	2.348	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H]1NCCc2ccccc21	ZINC000375988730	558110475	/nfs/dbraw/zinc/11/04/75/558110475.db2.gz	GOQDRKFYBFFTRL-LJQANCHMSA-N	-1	3	364.449	2.212	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-][C@H](c1ccccc1)c1ccccn1	ZINC000376981589	558247564	/nfs/dbraw/zinc/24/75/64/558247564.db2.gz	IXDWKEUANODGPI-GOSISDBHSA-N	-1	3	350.403	2.416	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]C2CCN(Cc3cccs3)CC2)o1	ZINC000377159570	558278366	/nfs/dbraw/zinc/27/83/66/558278366.db2.gz	XXHORCQLHQMRME-UHFFFAOYSA-N	-1	3	351.453	2.156	20	30		FEEDHM
Cc1nccn1-c1ccc([C@@H](C)[N-]S(=O)(=O)c2cccnc2C#N)cc1	ZINC000377186321	558284177	/nfs/dbraw/zinc/28/41/77/558284177.db2.gz	WYFDNKHSQUNBCB-CYBMUJFWSA-N	-1	3	367.434	2.487	20	30		FEEDHM
C[C@@H]1Cc2ccccc2N1CC[N-]S(=O)(=O)c1ccc(C#N)cc1F	ZINC000523573038	562215498	/nfs/dbraw/zinc/21/54/98/562215498.db2.gz	LQEMZZSGWPPHAY-CYBMUJFWSA-N	-1	3	359.426	2.427	20	30		FEEDHM
C[C@@]1(c2ccc(CNc3nc4c(cc3C#N)CCC4)cc2)NC(=O)[N-]C1=O	ZINC000523579317	562215523	/nfs/dbraw/zinc/21/55/23/562215523.db2.gz	WVPROONVVPAUCM-FQEVSTJZSA-N	-1	3	361.405	2.109	20	30		FEEDHM
Cc1ncc2c(n1)CC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C2	ZINC000378611216	558593479	/nfs/dbraw/zinc/59/34/79/558593479.db2.gz	XFOGKJCCYMEWRA-CYBMUJFWSA-N	-1	3	362.842	2.146	20	30		FEEDHM
CN(CC(F)F)C(=O)C(=O)[N-][C@@H](c1cccc(F)c1F)C(F)(F)F	ZINC000411207830	558853312	/nfs/dbraw/zinc/85/33/12/558853312.db2.gz	JDTALWMYSCPGTB-JTQLQIEISA-N	-1	3	360.229	2.408	20	30		FEEDHM
CC(C)c1nn([C@H]2CCS(=O)(=O)C2)cc1C([O-])=C(C#N)c1ccccn1	ZINC000525277164	562244813	/nfs/dbraw/zinc/24/48/13/562244813.db2.gz	RWNKIFYCDLTIQC-UONOGXRCSA-N	-1	3	372.450	2.251	20	30		FEEDHM
CN1CCN([C@@H](CNC(=O)c2ccc(C#N)c([O-])c2)c2cccs2)CC1	ZINC000527196058	562279697	/nfs/dbraw/zinc/27/96/97/562279697.db2.gz	DGJIRAXORZMHDV-INIZCTEOSA-N	-1	3	370.478	2.044	20	30		FEEDHM
COC[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1C#N)C1CC1	ZINC000416446545	559313316	/nfs/dbraw/zinc/31/33/16/559313316.db2.gz	PQZOFOIWAAYPLU-GFCCVEGCSA-N	-1	3	359.245	2.024	20	30		FEEDHM
COC1(C[N-]S(=O)(=O)c2cc(Br)ccc2C#N)CCC1	ZINC000416460350	559314525	/nfs/dbraw/zinc/31/45/25/559314525.db2.gz	VIVJMCUFKOXKQL-UHFFFAOYSA-N	-1	3	359.245	2.168	20	30		FEEDHM
N#Cc1ccc(Br)cc1S(=O)(=O)[N-]C[C@H]1CCCC[C@@H]1O	ZINC000416464312	559314983	/nfs/dbraw/zinc/31/49/83/559314983.db2.gz	WXQVBLOHVFZNNQ-YPMHNXCESA-N	-1	3	373.272	2.150	20	30		FEEDHM
N#Cc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CCC[C@@H]1CCO	ZINC000416469706	559315553	/nfs/dbraw/zinc/31/55/53/559315553.db2.gz	DUCQREVXNPFABY-ZWNOBZJWSA-N	-1	3	373.272	2.150	20	30		FEEDHM
C[C@@H]1CSC[C@@H]1[N-]S(=O)(=O)c1cc(Br)ccc1C#N	ZINC000416480664	559316304	/nfs/dbraw/zinc/31/63/04/559316304.db2.gz	AWSRXCWSLTWLRX-KCJUWKMLSA-N	-1	3	361.286	2.351	20	30		FEEDHM
C[C@H]1CCC[C@]1(O)C[N-]S(=O)(=O)c1cc(Br)ccc1C#N	ZINC000416487434	559316870	/nfs/dbraw/zinc/31/68/70/559316870.db2.gz	JKWDYTHEXUENMM-HZMBPMFUSA-N	-1	3	373.272	2.150	20	30		FEEDHM
C[C@H](CCCO)C[N-]S(=O)(=O)c1cc(Br)ccc1C#N	ZINC000416492554	559317330	/nfs/dbraw/zinc/31/73/30/559317330.db2.gz	DLHCWHLZMJXGAY-SNVBAGLBSA-N	-1	3	361.261	2.008	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)c1csnn1	ZINC000416628989	559326152	/nfs/dbraw/zinc/32/61/52/559326152.db2.gz	GOLGMDJADQTHMP-SSDOTTSWSA-N	-1	3	362.358	2.468	20	30		FEEDHM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H](CO)CC1CCCCC1	ZINC000416661506	559328320	/nfs/dbraw/zinc/32/83/20/559328320.db2.gz	OYLDXDCMDRFINK-ZDUSSCGKSA-N	-1	3	367.427	2.076	20	30		FEEDHM
N#CC1(C[N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCC1	ZINC000416674994	559329019	/nfs/dbraw/zinc/32/90/19/559329019.db2.gz	WNRFIFBMALMHLC-UHFFFAOYSA-N	-1	3	374.216	2.329	20	30		FEEDHM
COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c(F)c1	ZINC000427196254	559750143	/nfs/dbraw/zinc/75/01/43/559750143.db2.gz	KJDWQZMQASZGOI-UHFFFAOYSA-N	-1	3	352.318	2.424	20	30		FEEDHM
CCOc1cc2c(cc1C[N-]S(=O)(=O)c1cccnc1C#N)O[C@H](C)C2	ZINC000428238847	559772121	/nfs/dbraw/zinc/77/21/21/559772121.db2.gz	FIDJNVZDEOTKCB-GFCCVEGCSA-N	-1	3	373.434	2.154	20	30		FEEDHM
C[C@@H](C[N-]S(=O)(=O)c1cccnc1C#N)Oc1ccc(Cl)cc1	ZINC000428388971	559774563	/nfs/dbraw/zinc/77/45/63/559774563.db2.gz	OXTXAZALEWXMOK-NSHDSACASA-N	-1	3	351.815	2.352	20	30		FEEDHM
Cc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2)n(C2CCN(C)CC2)n1	ZINC000432363206	559857283	/nfs/dbraw/zinc/85/72/83/559857283.db2.gz	UAKVSGYKAFKEQS-UHFFFAOYSA-N	-1	3	359.455	2.131	20	30		FEEDHM
CC1(C)CCCN(C(=O)CC[N-]S(=O)(=O)c2ccccc2F)[C@@H]1C#N	ZINC000434436580	559900262	/nfs/dbraw/zinc/90/02/62/559900262.db2.gz	ITBUWLOYKAVMBW-OAHLLOKOSA-N	-1	3	367.446	2.035	20	30		FEEDHM
COc1cccc(N2CC[C@H]([N-]S(=O)(=O)c3ccc(C#N)s3)C2)c1	ZINC000435431135	559922864	/nfs/dbraw/zinc/92/28/64/559922864.db2.gz	CAZOYNPCLHQRBY-LBPRGKRZSA-N	-1	3	363.464	2.186	20	30		FEEDHM
COc1cc(CNC(=O)CCNC(=O)c2ccc(C)cc2[O-])ccc1C#N	ZINC000436570934	559945638	/nfs/dbraw/zinc/94/56/38/559945638.db2.gz	SXDOSNVTOXWNIY-UHFFFAOYSA-N	-1	3	367.405	2.017	20	30		FEEDHM
CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N(C)Cc1cccc(C#N)c1	ZINC000441660161	560037125	/nfs/dbraw/zinc/03/71/25/560037125.db2.gz	HHETUHJZNHKEMT-UHFFFAOYSA-N	-1	3	371.418	2.394	20	30		FEEDHM
Cc1cccc2nc(C(C#N)=C([O-])c3cn(Cc4ccccn4)nn3)[nH]c21	ZINC000442731672	560055308	/nfs/dbraw/zinc/05/53/08/560055308.db2.gz	SVDIXDHYGPARKH-CQSZACIVSA-N	-1	3	357.377	2.396	20	30		FEEDHM
COC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)C1CCCCC1	ZINC000442846371	560059582	/nfs/dbraw/zinc/05/95/82/560059582.db2.gz	JNVKVPGQFXIOOF-HNNXBMFYSA-N	-1	3	368.430	2.488	20	30		FEEDHM
C[C@H](C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)N1CCCC[C@H]1C	ZINC000443104687	560070666	/nfs/dbraw/zinc/07/06/66/560070666.db2.gz	NYSBTDHISMEYOJ-CHWSQXEVSA-N	-1	3	366.443	2.008	20	30		FEEDHM
CC(C)(CC#N)CS(=O)(=O)[N-][C@H]1CCN(c2cccc(Cl)c2)C1=O	ZINC000451295220	560298700	/nfs/dbraw/zinc/29/87/00/560298700.db2.gz	YVRGTZUBHQVCDE-AWEZNQCLSA-N	-1	3	369.874	2.305	20	30		FEEDHM
C=CCC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)C(=O)OCC	ZINC000452003443	560344555	/nfs/dbraw/zinc/34/45/55/560344555.db2.gz	ZHDYTLQWRAXEBE-CYBMUJFWSA-N	-1	3	356.831	2.388	20	30		FEEDHM
CCOC(=O)C[C@H]([N-]S(=O)(=O)c1cccc(C)c1C#N)c1ccncc1	ZINC000452052845	560348133	/nfs/dbraw/zinc/34/81/33/560348133.db2.gz	WNPVQSUFLSYZPU-INIZCTEOSA-N	-1	3	373.434	2.235	20	30		FEEDHM
C=CCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])C(=O)OCC	ZINC000456610255	560525765	/nfs/dbraw/zinc/52/57/65/560525765.db2.gz	PLFYZORXIZPWLI-CVEARBPZSA-N	-1	3	374.437	2.011	20	30		FEEDHM
N#Cc1ccc(N2CCN(Cc3cc(=O)[n-]c(C4CC4)n3)CC2)c(F)c1	ZINC000459319292	560679589	/nfs/dbraw/zinc/67/95/89/560679589.db2.gz	DCTMVZPACQIZSO-UHFFFAOYSA-N	-1	3	353.401	2.393	20	30		FEEDHM
Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)COc2ccccc2C#N)c1	ZINC000461034933	560759982	/nfs/dbraw/zinc/75/99/82/560759982.db2.gz	XLQXBXGQVNSBPZ-UHFFFAOYSA-N	-1	3	359.407	2.256	20	30		FEEDHM
Cn1c2cc([O-])c(NC(=O)C3(c4cccc(C#N)c4)CC3)cc2n(C)c1=O	ZINC000461622066	560777403	/nfs/dbraw/zinc/77/74/03/560777403.db2.gz	ATLYFPJINBGGAO-UHFFFAOYSA-N	-1	3	362.389	2.125	20	30		FEEDHM
C[C@H](C(=O)Nc1cccc([C@]2(C)NC(=O)[N-]C2=O)c1)c1cccc(C#N)c1	ZINC000461919133	560788032	/nfs/dbraw/zinc/78/80/32/560788032.db2.gz	MFLPNTJMYFQJSC-YUNKPMOVSA-N	-1	3	362.389	2.355	20	30		FEEDHM
N#C[C@H]1CCC[C@H]1NC(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1	ZINC000461968803	560790343	/nfs/dbraw/zinc/79/03/43/560790343.db2.gz	SVKKKUNRCVGQCJ-HUUCEWRRSA-N	-1	3	356.426	2.445	20	30		FEEDHM
COCC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1OC)c1ccco1	ZINC000464203359	560835965	/nfs/dbraw/zinc/83/59/65/560835965.db2.gz	HHUKTVRMQFXUNE-CYBMUJFWSA-N	-1	3	350.396	2.216	20	30		FEEDHM
N#CC(=C([O-])c1cccc(OCC(N)=O)c1)c1cc(C(F)(F)F)ccn1	ZINC000464411906	560841052	/nfs/dbraw/zinc/84/10/52/560841052.db2.gz	OSHGJBJGZVSSQG-ZDUSSCGKSA-N	-1	3	363.295	2.455	20	30		FEEDHM
N#Cc1ccc(F)c(CS(=O)(=O)[N-][C@@H]2COc3ccc(F)cc32)c1	ZINC000466540963	560889156	/nfs/dbraw/zinc/88/91/56/560889156.db2.gz	IFNVWGFXYRIIFD-OAHLLOKOSA-N	-1	3	350.346	2.390	20	30		FEEDHM
C=CCn1c(S[C@H](C(N)=O)c2ccc(Br)cc2)n[n-]c1=O	ZINC000470835017	560991035	/nfs/dbraw/zinc/99/10/35/560991035.db2.gz	ITJQLWPQKQCOHC-JTQLQIEISA-N	-1	3	369.244	2.251	20	30		FEEDHM
N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]CCOC(F)(F)F	ZINC000474388489	561073011	/nfs/dbraw/zinc/07/30/11/561073011.db2.gz	DUEHIMWHWWINCY-UHFFFAOYSA-N	-1	3	362.251	2.392	20	30		FEEDHM
COC(=O)[C@H]([N-]S(=O)(=O)CCCCC#N)c1ccc(Cl)c(F)c1	ZINC000533908709	562521034	/nfs/dbraw/zinc/52/10/34/562521034.db2.gz	LLTNSAZTWWLOBZ-CYBMUJFWSA-N	-1	3	362.810	2.306	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)c1cccc(Br)c1C#N)[C@H]1CCCOC1	ZINC000569604099	568409684	/nfs/dbraw/zinc/40/96/84/568409684.db2.gz	XZFIWUPOMAOTGT-QWRGUYRKSA-N	-1	3	373.272	2.414	20	30		FEEDHM
N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H]([C@@H](CO)C1CC1)C1CC1	ZINC000569796899	568425647	/nfs/dbraw/zinc/42/56/47/568425647.db2.gz	VJRXEPWRMDIOFA-BBRMVZONSA-N	-1	3	354.859	2.287	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCO[C@@H](c3ccncc3)C2)c(F)c1	ZINC000570280415	568472248	/nfs/dbraw/zinc/47/22/48/568472248.db2.gz	WQJIMJZGYMSMLY-GOEBONIOSA-N	-1	3	361.398	2.291	20	30		FEEDHM
C#CCSCCNC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1	ZINC000735388282	598827176	/nfs/dbraw/zinc/82/71/76/598827176.db2.gz	WMHZFXPZLFPQAJ-UHFFFAOYSA-N	-1	3	352.876	2.173	20	30		FEEDHM
C#CCSCCNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1	ZINC000735388282	598827178	/nfs/dbraw/zinc/82/71/78/598827178.db2.gz	WMHZFXPZLFPQAJ-UHFFFAOYSA-N	-1	3	352.876	2.173	20	30		FEEDHM
Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CN(CCC#N)CC1CC1	ZINC000737524671	598851787	/nfs/dbraw/zinc/85/17/87/598851787.db2.gz	PPYVEAABNWFJNF-UHFFFAOYSA-N	-1	3	363.429	2.017	20	30		FEEDHM
Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CN(CCC#N)CC1CC1	ZINC000737524671	598851788	/nfs/dbraw/zinc/85/17/88/598851788.db2.gz	PPYVEAABNWFJNF-UHFFFAOYSA-N	-1	3	363.429	2.017	20	30		FEEDHM
N#Cc1cc(NC(=O)c2ccc(Br)o2)ccc1-c1nnn[n-]1	ZINC000737708110	598914068	/nfs/dbraw/zinc/91/40/68/598914068.db2.gz	CWEDJLREPMGTMH-UHFFFAOYSA-N	-1	3	359.143	2.346	20	30		FEEDHM
N#Cc1cc(NC(=O)c2ccc(Br)o2)ccc1-c1nn[n-]n1	ZINC000737708110	598914069	/nfs/dbraw/zinc/91/40/69/598914069.db2.gz	CWEDJLREPMGTMH-UHFFFAOYSA-N	-1	3	359.143	2.346	20	30		FEEDHM
N#Cc1ccc(NC(=O)CSCc2ccccn2)cc1-c1nnn[n-]1	ZINC000737716806	598916243	/nfs/dbraw/zinc/91/62/43/598916243.db2.gz	VCSXTNJKWYWNEX-UHFFFAOYSA-N	-1	3	351.395	2.005	20	30		FEEDHM
N#Cc1ccc(NC(=O)CSCc2ccccn2)cc1-c1nn[n-]n1	ZINC000737716806	598916245	/nfs/dbraw/zinc/91/62/45/598916245.db2.gz	VCSXTNJKWYWNEX-UHFFFAOYSA-N	-1	3	351.395	2.005	20	30		FEEDHM
N#Cc1ccc(NC(=O)C=Cc2cnc3ccccc3n2)cc1-c1nnn[n-]1	ZINC000737716957	598925650	/nfs/dbraw/zinc/92/56/50/598925650.db2.gz	XNMBEFCMDAOXCA-FPLPWBNLSA-N	-1	3	368.360	2.333	20	30		FEEDHM
N#Cc1ccc(NC(=O)C=Cc2cnc3ccccc3n2)cc1-c1nn[n-]n1	ZINC000737716957	598925651	/nfs/dbraw/zinc/92/56/51/598925651.db2.gz	XNMBEFCMDAOXCA-FPLPWBNLSA-N	-1	3	368.360	2.333	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1-c1nn[n-]n1	ZINC000737718413	598927285	/nfs/dbraw/zinc/92/72/85/598927285.db2.gz	JBHITENMGDWLBE-UHFFFAOYSA-N	-1	3	358.317	2.097	20	30		FEEDHM
C[C@@H](C#N)CNC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1	ZINC000735506601	598932130	/nfs/dbraw/zinc/93/21/30/598932130.db2.gz	XORKYDBDFDZIJE-ZDUSSCGKSA-N	-1	3	362.393	2.335	20	30		FEEDHM
C[C@@H](C#N)CNC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1	ZINC000735506601	598932133	/nfs/dbraw/zinc/93/21/33/598932133.db2.gz	XORKYDBDFDZIJE-ZDUSSCGKSA-N	-1	3	362.393	2.335	20	30		FEEDHM
CC[C@@H](C#N)NC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1	ZINC000736308992	598933111	/nfs/dbraw/zinc/93/31/11/598933111.db2.gz	KJQCVXMOKDCWTA-HNNXBMFYSA-N	-1	3	362.393	2.478	20	30		FEEDHM
CC[C@@H](C#N)NC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1	ZINC000736308992	598933113	/nfs/dbraw/zinc/93/31/13/598933113.db2.gz	KJQCVXMOKDCWTA-HNNXBMFYSA-N	-1	3	362.393	2.478	20	30		FEEDHM
COc1cc(-c2nnn[n-]2)ccc1OCCOc1ccc(C#N)c(F)c1	ZINC000737032628	598940244	/nfs/dbraw/zinc/94/02/44/598940244.db2.gz	NKOTTYBPQZJTPH-UHFFFAOYSA-N	-1	3	355.329	2.344	20	30		FEEDHM
COc1cc(-c2nn[n-]n2)ccc1OCCOc1ccc(C#N)c(F)c1	ZINC000737032628	598940245	/nfs/dbraw/zinc/94/02/45/598940245.db2.gz	NKOTTYBPQZJTPH-UHFFFAOYSA-N	-1	3	355.329	2.344	20	30		FEEDHM
C#CCOc1cc(F)ccc1NC(=O)CNc1ccc(-c2nn[n-]n2)cc1	ZINC000735380914	599107556	/nfs/dbraw/zinc/10/75/56/599107556.db2.gz	NXPTVKBLMVIIFL-UHFFFAOYSA-N	-1	3	366.356	2.068	20	30		FEEDHM
COC(=O)c1occc1C=C1CCc2cc(-c3nnn[n-]3)ccc2C1=O	ZINC000821671342	599113055	/nfs/dbraw/zinc/11/30/55/599113055.db2.gz	RXDWOOAMEMPFNC-LUAWRHEFSA-N	-1	3	350.334	2.459	20	30		FEEDHM
COC(=O)c1occc1C=C1CCc2cc(-c3nn[n-]n3)ccc2C1=O	ZINC000821671342	599113056	/nfs/dbraw/zinc/11/30/56/599113056.db2.gz	RXDWOOAMEMPFNC-LUAWRHEFSA-N	-1	3	350.334	2.459	20	30		FEEDHM
C#CCN1C(=O)c2ccccc2N[C@@H]1c1ccc(OC)c(-c2nnn[n-]2)c1	ZINC000819701380	599115241	/nfs/dbraw/zinc/11/52/41/599115241.db2.gz	FDSJLDXCACIOLW-SFHVURJKSA-N	-1	3	360.377	2.075	20	30		FEEDHM
C#CCN1C(=O)c2ccccc2N[C@@H]1c1ccc(OC)c(-c2nn[n-]n2)c1	ZINC000819701380	599115243	/nfs/dbraw/zinc/11/52/43/599115243.db2.gz	FDSJLDXCACIOLW-SFHVURJKSA-N	-1	3	360.377	2.075	20	30		FEEDHM
COc1ccc(C=NNC(=S)Nc2ccccc2F)cc1-c1nnn[n-]1	ZINC000737081258	599125855	/nfs/dbraw/zinc/12/58/55/599125855.db2.gz	MMFDZFHLTMVHEU-UHFFFAOYSA-N	-1	3	371.401	2.335	20	30		FEEDHM
COc1ccc(C=NNC(=S)Nc2ccccc2F)cc1-c1nn[n-]n1	ZINC000737081258	599125858	/nfs/dbraw/zinc/12/58/58/599125858.db2.gz	MMFDZFHLTMVHEU-UHFFFAOYSA-N	-1	3	371.401	2.335	20	30		FEEDHM
C=CCN1C(=O)C(=Cc2ccc(OC)c(-c3nnn[n-]3)c2)SC1=S	ZINC000735426955	599150176	/nfs/dbraw/zinc/15/01/76/599150176.db2.gz	ZMOMWVBXXDNWRN-XYOKQWHBSA-N	-1	3	359.436	2.263	20	30		FEEDHM
C=CCN1C(=O)C(=Cc2ccc(OC)c(-c3nn[n-]n3)c2)SC1=S	ZINC000735426955	599150178	/nfs/dbraw/zinc/15/01/78/599150178.db2.gz	ZMOMWVBXXDNWRN-XYOKQWHBSA-N	-1	3	359.436	2.263	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc(OC)ccn1	ZINC000735420697	599159868	/nfs/dbraw/zinc/15/98/68/599159868.db2.gz	QIVXNQGWOIJSQU-UHFFFAOYSA-N	-1	3	350.382	2.099	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc(OC)ccn1	ZINC000735420697	599159869	/nfs/dbraw/zinc/15/98/69/599159869.db2.gz	QIVXNQGWOIJSQU-UHFFFAOYSA-N	-1	3	350.382	2.099	20	30		FEEDHM
C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@@]1(C#N)CCC[C@@H](C)C1	ZINC000736245754	599201700	/nfs/dbraw/zinc/20/17/00/599201700.db2.gz	WEIJLGOUHSKNLI-VBHSOAQHSA-N	-1	3	354.414	2.223	20	30		FEEDHM
C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@@]1(C#N)CCC[C@@H](C)C1	ZINC000736245754	599201702	/nfs/dbraw/zinc/20/17/02/599201702.db2.gz	WEIJLGOUHSKNLI-VBHSOAQHSA-N	-1	3	354.414	2.223	20	30		FEEDHM
N#Cc1c2[nH]c3ccccc3n2c(=O)cc1CN1CCC[C@@H](CC(=O)[O-])C1	ZINC000819084408	597080133	/nfs/dbraw/zinc/08/01/33/597080133.db2.gz	POZNJNBNRQSGKZ-ZFWWWQNUSA-N	-1	3	364.405	2.410	20	30		FEEDHM
Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NCCOc1ccc(C#N)cc1	ZINC000822220492	599273837	/nfs/dbraw/zinc/27/38/37/599273837.db2.gz	TXEWEFQBXMVTON-UHFFFAOYSA-N	-1	3	363.381	2.247	20	30		FEEDHM
Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NCCOc1ccc(C#N)cc1	ZINC000822220492	599273838	/nfs/dbraw/zinc/27/38/38/599273838.db2.gz	TXEWEFQBXMVTON-UHFFFAOYSA-N	-1	3	363.381	2.247	20	30		FEEDHM
CC[C@H](C#N)NC(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1	ZINC000736309872	598331381	/nfs/dbraw/zinc/33/13/81/598331381.db2.gz	TWFVSRUWFXYWGE-OAHLLOKOSA-N	-1	3	362.393	2.478	20	30		FEEDHM
CC[C@H](C#N)NC(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1	ZINC000736309872	598331384	/nfs/dbraw/zinc/33/13/84/598331384.db2.gz	TWFVSRUWFXYWGE-OAHLLOKOSA-N	-1	3	362.393	2.478	20	30		FEEDHM
COc1ccc(NC(=S)NN=Cc2ccc(-c3nnn[n-]3)cc2)cc1F	ZINC000737104806	598439910	/nfs/dbraw/zinc/43/99/10/598439910.db2.gz	UEXKTMNJTACIJW-UHFFFAOYSA-N	-1	3	371.401	2.335	20	30		FEEDHM
COc1ccc(NC(=S)NN=Cc2ccc(-c3nn[n-]n3)cc2)cc1F	ZINC000737104806	598439912	/nfs/dbraw/zinc/43/99/12/598439912.db2.gz	UEXKTMNJTACIJW-UHFFFAOYSA-N	-1	3	371.401	2.335	20	30		FEEDHM
C[C@@H](C#N)CN(C)C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1	ZINC000735501936	598547727	/nfs/dbraw/zinc/54/77/27/598547727.db2.gz	APHDPFVFTJXSMV-LBPRGKRZSA-N	-1	3	366.381	2.270	20	30		FEEDHM
N#Cc1ccccc1C=CC(=O)OCC(=O)c1cccc(-c2nnn[n-]2)c1	ZINC000826387202	607362108	/nfs/dbraw/zinc/36/21/08/607362108.db2.gz	KLICDKLYFDWQAI-HJWRWDBZSA-N	-1	3	359.345	2.178	20	30		FEEDHM
N#Cc1ccccc1C=CC(=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1	ZINC000826387202	607362110	/nfs/dbraw/zinc/36/21/10/607362110.db2.gz	KLICDKLYFDWQAI-HJWRWDBZSA-N	-1	3	359.345	2.178	20	30		FEEDHM
N#Cc1ccc(-n2nccc2NC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1	ZINC000737709196	598807651	/nfs/dbraw/zinc/80/76/51/598807651.db2.gz	JDHWCQXQEPCBKX-UHFFFAOYSA-N	-1	3	356.349	2.176	20	30		FEEDHM
N#Cc1ccc(-n2nccc2NC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1	ZINC000737709196	598807652	/nfs/dbraw/zinc/80/76/52/598807652.db2.gz	JDHWCQXQEPCBKX-UHFFFAOYSA-N	-1	3	356.349	2.176	20	30		FEEDHM
c1cc(-c2noc(N=NC3CCCc4cc(-c5nnn[n-]5)ccc43)n2)ccn1	ZINC000823747668	599340644	/nfs/dbraw/zinc/34/06/44/599340644.db2.gz	HOYLVMPACGWUER-UHFFFAOYSA-N	-1	3	373.380	2.464	20	30		FEEDHM
c1cc(-c2noc(N=NC3CCCc4cc(-c5nn[n-]n5)ccc43)n2)ccn1	ZINC000823747668	599340646	/nfs/dbraw/zinc/34/06/46/599340646.db2.gz	HOYLVMPACGWUER-UHFFFAOYSA-N	-1	3	373.380	2.464	20	30		FEEDHM
COc1c(C)cnc(CSc2nc(N)c(C#N)cc2-c2nnn[n-]2)c1C	ZINC000737027047	599367766	/nfs/dbraw/zinc/36/77/66/599367766.db2.gz	YJGNRIAGNPGKNW-UHFFFAOYSA-N	-1	3	368.426	2.028	20	30		FEEDHM
COc1c(C)cnc(CSc2nc(N)c(C#N)cc2-c2nn[n-]n2)c1C	ZINC000737027047	599367768	/nfs/dbraw/zinc/36/77/68/599367768.db2.gz	YJGNRIAGNPGKNW-UHFFFAOYSA-N	-1	3	368.426	2.028	20	30		FEEDHM
C=C(Br)CNC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1	ZINC000819718493	599424517	/nfs/dbraw/zinc/42/45/17/599424517.db2.gz	JWKJFBMYLPIVDF-SECBINFHSA-N	-1	3	351.208	2.136	20	30		FEEDHM
C=C(Br)CNC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1	ZINC000819718493	599424521	/nfs/dbraw/zinc/42/45/21/599424521.db2.gz	JWKJFBMYLPIVDF-SECBINFHSA-N	-1	3	351.208	2.136	20	30		FEEDHM
N#CC1CCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC1	ZINC000822806902	599507616	/nfs/dbraw/zinc/50/76/16/599507616.db2.gz	VINPLZCILAQBDP-UHFFFAOYSA-N	-1	3	350.342	2.063	20	30		FEEDHM
N#CC1CCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CC1	ZINC000822806902	599507617	/nfs/dbraw/zinc/50/76/17/599507617.db2.gz	VINPLZCILAQBDP-UHFFFAOYSA-N	-1	3	350.342	2.063	20	30		FEEDHM
C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1	ZINC000820537022	599527265	/nfs/dbraw/zinc/52/72/65/599527265.db2.gz	ZYNZDSAUEFRERN-QWHCGFSZSA-N	-1	3	362.393	2.383	20	30		FEEDHM
C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1	ZINC000820537022	599527267	/nfs/dbraw/zinc/52/72/67/599527267.db2.gz	ZYNZDSAUEFRERN-QWHCGFSZSA-N	-1	3	362.393	2.383	20	30		FEEDHM
N#CCN(CC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C1CCCC1	ZINC000737693291	599590457	/nfs/dbraw/zinc/59/04/57/599590457.db2.gz	NJKJELOHPPMYCX-UHFFFAOYSA-N	-1	3	359.821	2.227	20	30		FEEDHM
N#CCN(CC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C1CCCC1	ZINC000737693291	599590460	/nfs/dbraw/zinc/59/04/60/599590460.db2.gz	NJKJELOHPPMYCX-UHFFFAOYSA-N	-1	3	359.821	2.227	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCCOC1CCC1	ZINC000819746064	599679959	/nfs/dbraw/zinc/67/99/59/599679959.db2.gz	ZGMJPUSIQQUVRQ-UHFFFAOYSA-N	-1	3	356.430	2.133	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCCOC1CCC1	ZINC000819746064	599679960	/nfs/dbraw/zinc/67/99/60/599679960.db2.gz	ZGMJPUSIQQUVRQ-UHFFFAOYSA-N	-1	3	356.430	2.133	20	30		FEEDHM
CON=Cc1ccc(C(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1	ZINC000826166761	607417049	/nfs/dbraw/zinc/41/70/49/607417049.db2.gz	ZVYGBUJJLFJLIT-UHFFFAOYSA-N	-1	3	362.393	2.266	20	30		FEEDHM
CON=Cc1ccc(C(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1	ZINC000826166761	607417051	/nfs/dbraw/zinc/41/70/51/607417051.db2.gz	ZVYGBUJJLFJLIT-UHFFFAOYSA-N	-1	3	362.393	2.266	20	30		FEEDHM
COc1cccc(NC(=S)NN=Cc2ccc(-c3nnn[n-]3)cc2F)c1	ZINC000821872435	607463350	/nfs/dbraw/zinc/46/33/50/607463350.db2.gz	MOXSTOPNUJNTGG-UHFFFAOYSA-N	-1	3	371.401	2.335	20	30		FEEDHM
COc1cccc(NC(=S)NN=Cc2ccc(-c3nn[n-]n3)cc2F)c1	ZINC000821872435	607463352	/nfs/dbraw/zinc/46/33/52/607463352.db2.gz	MOXSTOPNUJNTGG-UHFFFAOYSA-N	-1	3	371.401	2.335	20	30		FEEDHM
N#Cc1cccc([C@H](NCc2ccccc2CN2CCOCC2)C(=O)[O-])c1	ZINC000833076151	601298784	/nfs/dbraw/zinc/29/87/84/601298784.db2.gz	QTHGYQKXASDGPZ-FQEVSTJZSA-N	-1	3	365.433	2.306	20	30		FEEDHM
N#Cc1cccc([C@@H](NCc2ccc(CN3CCOCC3)cc2)C(=O)[O-])c1	ZINC000833074723	601298937	/nfs/dbraw/zinc/29/89/37/601298937.db2.gz	DVBZZPOJPSPUTI-HXUWFJFHSA-N	-1	3	365.433	2.306	20	30		FEEDHM
Cc1nc(CN2CCCN([C@@H](C(=O)[O-])c3cccc(C#N)c3)CC2)oc1C	ZINC000833001189	601315656	/nfs/dbraw/zinc/31/56/56/601315656.db2.gz	QOCNZWRKLCYTMH-LJQANCHMSA-N	-1	3	368.437	2.497	20	30		FEEDHM
COc1ccc(CNC(=S)Nc2ccccc2-c2nnn[n-]2)cc1C#N	ZINC000826202146	607529828	/nfs/dbraw/zinc/52/98/28/607529828.db2.gz	PUNOJEFGELQMMT-UHFFFAOYSA-N	-1	3	365.422	2.234	20	30		FEEDHM
COc1ccc(CNC(=S)Nc2ccccc2-c2nn[n-]n2)cc1C#N	ZINC000826202146	607529831	/nfs/dbraw/zinc/52/98/31/607529831.db2.gz	PUNOJEFGELQMMT-UHFFFAOYSA-N	-1	3	365.422	2.234	20	30		FEEDHM
COc1ccc(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1C#N	ZINC000826203693	607561835	/nfs/dbraw/zinc/56/18/35/607561835.db2.gz	BPFXLUGMXFFDJN-UHFFFAOYSA-N	-1	3	351.326	2.267	20	30		FEEDHM
COc1ccc(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1C#N	ZINC000826203693	607561837	/nfs/dbraw/zinc/56/18/37/607561837.db2.gz	BPFXLUGMXFFDJN-UHFFFAOYSA-N	-1	3	351.326	2.267	20	30		FEEDHM
COc1ccc(NC(=O)C(C#N)C(=O)CC(C)(C)NC(=O)[O-])cc1Cl	ZINC000739914031	603160812	/nfs/dbraw/zinc/16/08/12/603160812.db2.gz	AQSAZEGPUNLYIT-SNVBAGLBSA-N	-1	3	367.789	2.432	20	30		FEEDHM
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCC[C@@H](NC(=O)[O-])C1	ZINC000739606451	603170110	/nfs/dbraw/zinc/17/01/10/603170110.db2.gz	UAJKIHADDQRONJ-QZTJIDSGSA-N	-1	3	372.469	2.275	20	30		FEEDHM
C=CCOc1ccc(OS(=O)(=O)c2ccccc2-c2nnn[n-]2)cc1	ZINC000823932343	607653814	/nfs/dbraw/zinc/65/38/14/607653814.db2.gz	VHDRPNKVRNDBNR-UHFFFAOYSA-N	-1	3	358.379	2.199	20	30		FEEDHM
N#C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1ccc(Cl)c(Cl)c1	ZINC000826380113	607735534	/nfs/dbraw/zinc/73/55/34/607735534.db2.gz	NOIWIVBFSZBRSU-LBPRGKRZSA-N	-1	3	362.180	2.496	20	30		FEEDHM
N#C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccc(Cl)c(Cl)c1	ZINC000826380113	607735535	/nfs/dbraw/zinc/73/55/35/607735535.db2.gz	NOIWIVBFSZBRSU-LBPRGKRZSA-N	-1	3	362.180	2.496	20	30		FEEDHM
N#Cc1cccc(-c2csc(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)n2)c1	ZINC000826386842	607771415	/nfs/dbraw/zinc/77/14/15/607771415.db2.gz	VABRCHJYGYRLTE-UHFFFAOYSA-N	-1	3	362.378	2.442	20	30		FEEDHM
N#Cc1cccc(-c2csc(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)n2)c1	ZINC000826386842	607771416	/nfs/dbraw/zinc/77/14/16/607771416.db2.gz	VABRCHJYGYRLTE-UHFFFAOYSA-N	-1	3	362.378	2.442	20	30		FEEDHM
Cc1cc(C(=O)CSc2nc(N)c(C#N)cc2-c2nnn[n-]2)ccc1F	ZINC000822167889	606020480	/nfs/dbraw/zinc/02/04/80/606020480.db2.gz	JRXLXICBFUOGAM-UHFFFAOYSA-N	-1	3	369.385	2.138	20	30		FEEDHM
Cc1cc(C(=O)CSc2nc(N)c(C#N)cc2-c2nn[n-]n2)ccc1F	ZINC000822167889	606020483	/nfs/dbraw/zinc/02/04/83/606020483.db2.gz	JRXLXICBFUOGAM-UHFFFAOYSA-N	-1	3	369.385	2.138	20	30		FEEDHM
Cc1noc(C(F)(F)F)c1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1	ZINC000822519451	606127736	/nfs/dbraw/zinc/12/77/36/606127736.db2.gz	HERRKPPTYNWDNK-UHFFFAOYSA-N	-1	3	363.259	2.306	20	30		FEEDHM
Cc1noc(C(F)(F)F)c1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1	ZINC000822519451	606127737	/nfs/dbraw/zinc/12/77/37/606127737.db2.gz	HERRKPPTYNWDNK-UHFFFAOYSA-N	-1	3	363.259	2.306	20	30		FEEDHM
C#CCOc1ccc(N[C@H](C(=O)OC)c2cccc(-c3nnn[n-]3)c2)cc1	ZINC000819709888	606304167	/nfs/dbraw/zinc/30/41/67/606304167.db2.gz	SQENANRTPXDUBY-KRWDZBQOSA-N	-1	3	363.377	2.205	20	30		FEEDHM
C#CCOc1ccc(N[C@H](C(=O)OC)c2cccc(-c3nn[n-]n3)c2)cc1	ZINC000819709888	606304169	/nfs/dbraw/zinc/30/41/69/606304169.db2.gz	SQENANRTPXDUBY-KRWDZBQOSA-N	-1	3	363.377	2.205	20	30		FEEDHM
COC(=O)[C@@H](N[C@H](C)c1cccc(C#N)c1)c1cccc(-c2nnn[n-]2)c1	ZINC000821640626	606309586	/nfs/dbraw/zinc/30/95/86/606309586.db2.gz	LRILIJBACLCRCJ-PXAZEXFGSA-N	-1	3	362.393	2.303	20	30		FEEDHM
COC(=O)[C@@H](N[C@H](C)c1cccc(C#N)c1)c1cccc(-c2nn[n-]n2)c1	ZINC000821640626	606309587	/nfs/dbraw/zinc/30/95/87/606309587.db2.gz	LRILIJBACLCRCJ-PXAZEXFGSA-N	-1	3	362.393	2.303	20	30		FEEDHM
Cc1nc(SCC(=O)N[C@H]2CCC[C@@H]2C#N)c(-c2nnn[n-]2)c(C)c1C	ZINC000822453892	606325452	/nfs/dbraw/zinc/32/54/52/606325452.db2.gz	PXBLFBCQOGFIEX-OLZOCXBDSA-N	-1	3	371.470	2.088	20	30		FEEDHM
Cc1nc(SCC(=O)N[C@H]2CCC[C@@H]2C#N)c(-c2nn[n-]n2)c(C)c1C	ZINC000822453892	606325454	/nfs/dbraw/zinc/32/54/54/606325454.db2.gz	PXBLFBCQOGFIEX-OLZOCXBDSA-N	-1	3	371.470	2.088	20	30		FEEDHM
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)cn1	ZINC000822801641	606447383	/nfs/dbraw/zinc/44/73/83/606447383.db2.gz	LOHVAWIYPIUUPM-WBVHZDCISA-N	-1	3	359.393	2.174	20	30		FEEDHM
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)cn1	ZINC000822801641	606447385	/nfs/dbraw/zinc/44/73/85/606447385.db2.gz	LOHVAWIYPIUUPM-WBVHZDCISA-N	-1	3	359.393	2.174	20	30		FEEDHM
C#CCN(CC#C)C(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1	ZINC000819697838	606459079	/nfs/dbraw/zinc/45/90/79/606459079.db2.gz	LYOJCHXWDBGMPJ-UHFFFAOYSA-N	-1	3	371.400	2.154	20	30		FEEDHM
C#CCN(CC#C)C(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1	ZINC000819697838	606459081	/nfs/dbraw/zinc/45/90/81/606459081.db2.gz	LYOJCHXWDBGMPJ-UHFFFAOYSA-N	-1	3	371.400	2.154	20	30		FEEDHM
N#CCCN(CCCOc1ccc(-c2nn[n-]n2)cc1)Cc1ccccn1	ZINC000822810052	606616927	/nfs/dbraw/zinc/61/69/27/606616927.db2.gz	AVQGXUDQTLRJPB-UHFFFAOYSA-N	-1	3	363.425	2.446	20	30		FEEDHM
N#Cc1ccc(OCCOC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1	ZINC000822833232	606749564	/nfs/dbraw/zinc/74/95/64/606749564.db2.gz	MOGYJEXFGKTZNK-UHFFFAOYSA-N	-1	3	371.303	2.252	20	30		FEEDHM
N#Cc1ccc(OCCOC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1	ZINC000822833232	606749567	/nfs/dbraw/zinc/74/95/67/606749567.db2.gz	MOGYJEXFGKTZNK-UHFFFAOYSA-N	-1	3	371.303	2.252	20	30		FEEDHM
N#Cc1cc(-c2nnn[n-]2)c(N)nc1SCc1nc2cc(F)ccc2o1	ZINC000822818806	606793502	/nfs/dbraw/zinc/79/35/02/606793502.db2.gz	GDLBSVPOHRGNCG-UHFFFAOYSA-N	-1	3	368.357	2.288	20	30		FEEDHM
N#Cc1cc(-c2nn[n-]n2)c(N)nc1SCc1nc2cc(F)ccc2o1	ZINC000822818806	606793504	/nfs/dbraw/zinc/79/35/04/606793504.db2.gz	GDLBSVPOHRGNCG-UHFFFAOYSA-N	-1	3	368.357	2.288	20	30		FEEDHM
COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)OC1(C#N)CCC1	ZINC000821701100	606801810	/nfs/dbraw/zinc/80/18/10/606801810.db2.gz	BDYYEBSKYVEIPJ-UHFFFAOYSA-N	-1	3	357.370	2.024	20	30		FEEDHM
COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)OC1(C#N)CCC1	ZINC000821701100	606801812	/nfs/dbraw/zinc/80/18/12/606801812.db2.gz	BDYYEBSKYVEIPJ-UHFFFAOYSA-N	-1	3	357.370	2.024	20	30		FEEDHM
COC(=O)[C@H](C)Oc1ccc(C=NNc2cccc(-c3nnn[n-]3)c2)cc1	ZINC000821640957	606918267	/nfs/dbraw/zinc/91/82/67/606918267.db2.gz	SLMQHXHUOXFPSU-LBPRGKRZSA-N	-1	3	366.381	2.253	20	30		FEEDHM
COC(=O)[C@H](C)Oc1ccc(C=NNc2cccc(-c3nn[n-]n3)c2)cc1	ZINC000821640957	606918268	/nfs/dbraw/zinc/91/82/68/606918268.db2.gz	SLMQHXHUOXFPSU-LBPRGKRZSA-N	-1	3	366.381	2.253	20	30		FEEDHM
C=CCC(CC=C)C(=O)N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1	ZINC000819734482	606922936	/nfs/dbraw/zinc/92/29/36/606922936.db2.gz	PAWWPSKLQZFCBF-UHFFFAOYSA-N	-1	3	370.432	2.423	20	30		FEEDHM
C=CCC(CC=C)C(=O)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1	ZINC000819734482	606922937	/nfs/dbraw/zinc/92/29/37/606922937.db2.gz	PAWWPSKLQZFCBF-UHFFFAOYSA-N	-1	3	370.432	2.423	20	30		FEEDHM
C=CCC(CC=C)C(=O)Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1	ZINC000819733911	606951317	/nfs/dbraw/zinc/95/13/17/606951317.db2.gz	FHUYWNVFLCQELX-UHFFFAOYSA-N	-1	3	364.413	2.213	20	30		FEEDHM
C=CCC(CC=C)C(=O)Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1	ZINC000819733911	606951319	/nfs/dbraw/zinc/95/13/19/606951319.db2.gz	FHUYWNVFLCQELX-UHFFFAOYSA-N	-1	3	364.413	2.213	20	30		FEEDHM
C[C@@H](Oc1ccccc1C#N)C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1	ZINC000820549727	606993399	/nfs/dbraw/zinc/99/33/99/606993399.db2.gz	QZFAOKQUKIEVTA-LLVKDONJSA-N	-1	3	367.340	2.388	20	30		FEEDHM
C[C@@H](Oc1ccccc1C#N)C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1	ZINC000820549727	606993400	/nfs/dbraw/zinc/99/34/00/606993400.db2.gz	QZFAOKQUKIEVTA-LLVKDONJSA-N	-1	3	367.340	2.388	20	30		FEEDHM
N#Cc1ccc(NCC(=O)NCc2ccc(-c3nnn[n-]3)cc2)c(Cl)c1	ZINC000822830045	607126770	/nfs/dbraw/zinc/12/67/70/607126770.db2.gz	SXZYJRMLWWCKHF-UHFFFAOYSA-N	-1	3	367.800	2.120	20	30		FEEDHM
N#Cc1ccc(NCC(=O)NCc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1	ZINC000822830045	607126772	/nfs/dbraw/zinc/12/67/72/607126772.db2.gz	SXZYJRMLWWCKHF-UHFFFAOYSA-N	-1	3	367.800	2.120	20	30		FEEDHM
Cc1nc(-c2cccc(-c3nnn[n-]3)c2)nn1C[C@H](O)c1ccc(C#N)cc1	ZINC000826322722	607869282	/nfs/dbraw/zinc/86/92/82/607869282.db2.gz	ZAIWNWPTFMDUQO-KRWDZBQOSA-N	-1	3	372.392	2.039	20	30		FEEDHM
Cc1nc(-c2cccc(-c3nn[n-]n3)c2)nn1C[C@H](O)c1ccc(C#N)cc1	ZINC000826322722	607869283	/nfs/dbraw/zinc/86/92/83/607869283.db2.gz	ZAIWNWPTFMDUQO-KRWDZBQOSA-N	-1	3	372.392	2.039	20	30		FEEDHM
COc1cc2c(c(C=NNCc3ccc(-c4nnn[n-]4)cc3)c1)O[C@H](C)C2	ZINC000826178830	607889495	/nfs/dbraw/zinc/88/94/95/607889495.db2.gz	OIKGICWIBWYQQD-GFCCVEGCSA-N	-1	3	364.409	2.322	20	30		FEEDHM
COc1cc2c(c(C=NNCc3ccc(-c4nn[n-]n4)cc3)c1)O[C@H](C)C2	ZINC000826178830	607889496	/nfs/dbraw/zinc/88/94/96/607889496.db2.gz	OIKGICWIBWYQQD-GFCCVEGCSA-N	-1	3	364.409	2.322	20	30		FEEDHM
C#CC[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F)c1ccccc1	ZINC000823838312	607938610	/nfs/dbraw/zinc/93/86/10/607938610.db2.gz	OAHSVEWDSSESBL-HNNXBMFYSA-N	-1	3	371.397	2.049	20	30		FEEDHM
C#CC[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F)c1ccccc1	ZINC000823838312	607938611	/nfs/dbraw/zinc/93/86/11/607938611.db2.gz	OAHSVEWDSSESBL-HNNXBMFYSA-N	-1	3	371.397	2.049	20	30		FEEDHM
N#Cc1cc(NC(=O)c2cccc([C@H]3CCOC3)c2)ccc1-c1nnn[n-]1	ZINC000826384000	608064864	/nfs/dbraw/zinc/06/48/64/608064864.db2.gz	BKUATXCRYYJQPO-AWEZNQCLSA-N	-1	3	360.377	2.495	20	30		FEEDHM
N#Cc1cc(NC(=O)c2cccc([C@H]3CCOC3)c2)ccc1-c1nn[n-]n1	ZINC000826384000	608064865	/nfs/dbraw/zinc/06/48/65/608064865.db2.gz	BKUATXCRYYJQPO-AWEZNQCLSA-N	-1	3	360.377	2.495	20	30		FEEDHM
COc1ccc(NC(=S)NN=C(C)c2ccc(-c3nnn[n-]3)s2)cn1	ZINC000826209455	608094932	/nfs/dbraw/zinc/09/49/32/608094932.db2.gz	CIXHWUOZKVWTMO-UHFFFAOYSA-N	-1	3	374.455	2.042	20	30		FEEDHM
COCCn1nc(C)c(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)c1C	ZINC000826163779	608229275	/nfs/dbraw/zinc/22/92/75/608229275.db2.gz	KVWJFYZDHSXHCL-XQRVVYSFSA-N	-1	3	358.427	2.284	20	30		FEEDHM
N#Cc1cccc(CSc2nc(N)c(-c3nnn[n-]3)cc2C#N)c1F	ZINC000826383669	608395096	/nfs/dbraw/zinc/39/50/96/608395096.db2.gz	LCKRABHGNZJQBI-UHFFFAOYSA-N	-1	3	352.358	2.019	20	30		FEEDHM
N#Cc1cccc(CSc2nc(N)c(-c3nn[n-]n3)cc2C#N)c1F	ZINC000826383669	608395097	/nfs/dbraw/zinc/39/50/97/608395097.db2.gz	LCKRABHGNZJQBI-UHFFFAOYSA-N	-1	3	352.358	2.019	20	30		FEEDHM
N#CCOc1cccc(CC(=O)OCc2cccc(-c3nnn[n-]3)c2F)c1	ZINC000826382111	608455618	/nfs/dbraw/zinc/45/56/18/608455618.db2.gz	OUUDEJPCOXKXCB-UHFFFAOYSA-N	-1	3	367.340	2.194	20	30		FEEDHM
N#CCOc1cccc(CC(=O)OCc2cccc(-c3nn[n-]n3)c2F)c1	ZINC000826382111	608455620	/nfs/dbraw/zinc/45/56/20/608455620.db2.gz	OUUDEJPCOXKXCB-UHFFFAOYSA-N	-1	3	367.340	2.194	20	30		FEEDHM
N#Cc1ccccc1N1CCN(Cc2cc(-c3nnn[n-]3)cs2)CC1	ZINC000826387480	608515376	/nfs/dbraw/zinc/51/53/76/608515376.db2.gz	XCGMAGNGXPZLSQ-UHFFFAOYSA-N	-1	3	351.439	2.122	20	30		FEEDHM
N#Cc1ccccc1N1CCN(Cc2cc(-c3nn[n-]n3)cs2)CC1	ZINC000826387480	608515377	/nfs/dbraw/zinc/51/53/77/608515377.db2.gz	XCGMAGNGXPZLSQ-UHFFFAOYSA-N	-1	3	351.439	2.122	20	30		FEEDHM
Cc1cc2c(c(F)c1)NC(=O)C2=NNc1cc(-c2nnn[n-]2)cc(Cl)n1	ZINC000826268488	608537517	/nfs/dbraw/zinc/53/75/17/608537517.db2.gz	ZGQSVXDDISJHKG-UHFFFAOYSA-N	-1	3	372.751	2.131	20	30		FEEDHM
Cc1cc2c(c(F)c1)NC(=O)C2=NNc1cc(-c2nn[n-]n2)cc(Cl)n1	ZINC000826268488	608537518	/nfs/dbraw/zinc/53/75/18/608537518.db2.gz	ZGQSVXDDISJHKG-UHFFFAOYSA-N	-1	3	372.751	2.131	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@@H]1CCC[C@H]1OC	ZINC000823910211	608537797	/nfs/dbraw/zinc/53/77/97/608537797.db2.gz	ZATFWXYJFAYHRL-DLBZAZTESA-N	-1	3	370.457	2.379	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@@H]1CCC[C@H]1OC	ZINC000823910211	608537798	/nfs/dbraw/zinc/53/77/98/608537798.db2.gz	ZATFWXYJFAYHRL-DLBZAZTESA-N	-1	3	370.457	2.379	20	30		FEEDHM
CN(C)c1ccccc1CSc1nc(N)c(-c2nnn[n-]2)cc1C#N	ZINC000825884292	609174340	/nfs/dbraw/zinc/17/43/40/609174340.db2.gz	YJFSFPOIWGJXPL-UHFFFAOYSA-N	-1	3	352.427	2.074	20	30		FEEDHM
CN(C)c1ccccc1CSc1nc(N)c(-c2nn[n-]n2)cc1C#N	ZINC000825884292	609174341	/nfs/dbraw/zinc/17/43/41/609174341.db2.gz	YJFSFPOIWGJXPL-UHFFFAOYSA-N	-1	3	352.427	2.074	20	30		FEEDHM
Cn1cc(C=NNc2ccnc(F)c2)c(-c2ccc(-c3nnn[n-]3)cc2)n1	ZINC000826360622	609281294	/nfs/dbraw/zinc/28/12/94/609281294.db2.gz	RIYLOOQLIUTHPP-UHFFFAOYSA-N	-1	3	363.360	2.247	20	30		FEEDHM
Cn1cc(C=NNc2ccnc(F)c2)c(-c2ccc(-c3nn[n-]n3)cc2)n1	ZINC000826360622	609281296	/nfs/dbraw/zinc/28/12/96/609281296.db2.gz	RIYLOOQLIUTHPP-UHFFFAOYSA-N	-1	3	363.360	2.247	20	30		FEEDHM
CC(C)(C)OC(=O)CCNN=C1CCCc2cc(-c3nnn[n-]3)ccc21	ZINC000824100495	609468715	/nfs/dbraw/zinc/46/87/15/609468715.db2.gz	RVSSYUFOAGXFEW-UHFFFAOYSA-N	-1	3	356.430	2.229	20	30		FEEDHM
CC(C)(C)OC(=O)CCNN=C1CCCc2cc(-c3nn[n-]n3)ccc21	ZINC000824100495	609468717	/nfs/dbraw/zinc/46/87/17/609468717.db2.gz	RVSSYUFOAGXFEW-UHFFFAOYSA-N	-1	3	356.430	2.229	20	30		FEEDHM
N#Cc1ccc(N2CCC[C@H](Nc3ccc(-c4nn[n-]n4)cc3)C2=O)cc1	ZINC000826385657	609575354	/nfs/dbraw/zinc/57/53/54/609575354.db2.gz	VWTCGZYUCJVZOU-KRWDZBQOSA-N	-1	3	359.393	2.346	20	30		FEEDHM
Cc1c(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)cccc1-c1nnn[n-]1	ZINC000826241159	609597978	/nfs/dbraw/zinc/59/79/78/609597978.db2.gz	SWTSRWRJHVDGQB-SFHVURJKSA-N	-1	3	370.413	2.375	20	30		FEEDHM
Cc1c(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)cccc1-c1nn[n-]n1	ZINC000826241159	609597980	/nfs/dbraw/zinc/59/79/80/609597980.db2.gz	SWTSRWRJHVDGQB-SFHVURJKSA-N	-1	3	370.413	2.375	20	30		FEEDHM
C#CCCCCCC(=O)O[C@H](C(=O)OC)c1cccc(-c2nnn[n-]2)c1	ZINC000823841130	609641806	/nfs/dbraw/zinc/64/18/06/609641806.db2.gz	IZKIACZYHMWTHW-INIZCTEOSA-N	-1	3	356.382	2.208	20	30		FEEDHM
C#CCCCCCC(=O)O[C@H](C(=O)OC)c1cccc(-c2nn[n-]n2)c1	ZINC000823841130	609641807	/nfs/dbraw/zinc/64/18/07/609641807.db2.gz	IZKIACZYHMWTHW-INIZCTEOSA-N	-1	3	356.382	2.208	20	30		FEEDHM
CC#CC[C@@H](CO)[N-]S(=O)(=O)c1cc(Br)ccc1Cl	ZINC000645883014	677274125	/nfs/dbraw/zinc/27/41/25/677274125.db2.gz	IJHSHJMNTKDNFD-JTQLQIEISA-N	-1	3	366.664	2.155	20	30		FEEDHM
Cc1nn(-c2ccc(C(=O)N[C@@H]3CCCN([O-])C3=O)cc2)c(C)c1Cl	ZINC000816755491	675077632	/nfs/dbraw/zinc/07/76/32/675077632.db2.gz	BHNUGRMPPAQFIQ-CQSZACIVSA-N	-1	3	362.817	2.253	20	30		FEEDHM
O=C(N[C@@H]1CCCN([O-])C1=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F	ZINC000816756249	675077915	/nfs/dbraw/zinc/07/79/15/675077915.db2.gz	SWUVXZVWRGHTDB-IJLUTSLNSA-N	-1	3	358.316	2.185	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)Cc2ccoc2C)ccc1F	ZINC000056252578	670361413	/nfs/dbraw/zinc/36/14/13/670361413.db2.gz	RRRXSOGMFUDRCQ-UHFFFAOYSA-N	-1	3	366.414	2.464	20	30		FEEDHM
CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCC(C#N)CC2)ccc1F	ZINC000061584738	670396982	/nfs/dbraw/zinc/39/69/82/670396982.db2.gz	CQHAWXBISBKXKO-UHFFFAOYSA-N	-1	3	367.446	2.278	20	30		FEEDHM
CC(C)OCc1nc([C@@H](C)[N-]S(=O)(=O)CC2(C#N)CCCCC2)no1	ZINC000565569324	675133060	/nfs/dbraw/zinc/13/30/60/675133060.db2.gz	ZUCVENSUEGIKTM-CYBMUJFWSA-N	-1	3	370.475	2.449	20	30		FEEDHM
CCC[C@H](C#N)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1	ZINC000608816162	675904678	/nfs/dbraw/zinc/90/46/78/675904678.db2.gz	GSJPAUGKVKCRPQ-LLVKDONJSA-N	-1	3	364.402	2.377	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)c2cccc(C)n2)ccc1F	ZINC000118666294	671887507	/nfs/dbraw/zinc/88/75/07/671887507.db2.gz	SDWVQFHLLQSQTE-UHFFFAOYSA-N	-1	3	363.414	2.270	20	30		FEEDHM
CC(C)OCc1nc([C@@H](C)[N-]S(=O)(=O)CC2(C#N)CCCC2)no1	ZINC000582635368	672019891	/nfs/dbraw/zinc/01/98/91/672019891.db2.gz	OUOQANGTHRNRHB-GFCCVEGCSA-N	-1	3	356.448	2.059	20	30		FEEDHM
COC(=O)c1cncc(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)c1	ZINC000583865039	672133085	/nfs/dbraw/zinc/13/30/85/672133085.db2.gz	UNFPEFLIUPXIOM-UHFFFAOYSA-N	-1	3	351.771	2.194	20	30		FEEDHM
CCOC(=O)c1ccc(C[N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)o1	ZINC000610590500	675983260	/nfs/dbraw/zinc/98/32/60/675983260.db2.gz	LYWIHKMMQMLIFQ-UHFFFAOYSA-N	-1	3	368.798	2.460	20	30		FEEDHM
C#Cc1cccc(NC(=O)C[N-]S(=O)(=O)c2cc(C)c(F)cc2F)c1	ZINC000175787636	672370626	/nfs/dbraw/zinc/37/06/26/672370626.db2.gz	JUKJOYZOAWHYBM-UHFFFAOYSA-N	-1	3	364.373	2.172	20	30		FEEDHM
N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CC[C@](O)(C(F)(F)F)C1	ZINC000589922918	672547881	/nfs/dbraw/zinc/54/78/81/672547881.db2.gz	QSYQNOZOONSDNL-ZYHUDNBSSA-N	-1	3	368.764	2.336	20	30		FEEDHM
CC1(C)C[C@H]([N-]S(=O)(=O)c2cccnc2C#N)c2cc(N)ccc2O1	ZINC000262238434	672911526	/nfs/dbraw/zinc/91/15/26/672911526.db2.gz	OVSKITANCVZGSF-ZDUSSCGKSA-N	-1	3	358.423	2.116	20	30		FEEDHM
C=C[C@@](C)(O)C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1	ZINC000612383656	676079748	/nfs/dbraw/zinc/07/97/48/676079748.db2.gz	ZZYYSHVISLHYPM-QGZVFWFLSA-N	-1	3	352.818	2.160	20	30		FEEDHM
COCCOc1ccccc1C[N-]S(=O)(=O)c1ccsc1C#N	ZINC000593534662	672936260	/nfs/dbraw/zinc/93/62/60/672936260.db2.gz	OMTDMHRRBMOLTL-UHFFFAOYSA-N	-1	3	352.437	2.123	20	30		FEEDHM
COc1ccc([C@H](CCO)[N-]S(=O)(=O)c2ccsc2C#N)cc1	ZINC000593549433	672939992	/nfs/dbraw/zinc/93/99/92/672939992.db2.gz	HRMFQPODZGXMNN-ZDUSSCGKSA-N	-1	3	352.437	2.030	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)c1cc(Br)cc(C#N)c1)c1ccon1	ZINC000538271971	673430054	/nfs/dbraw/zinc/43/00/54/673430054.db2.gz	YABSVGMIGGYTPK-MRVPVSSYSA-N	-1	3	356.201	2.348	20	30		FEEDHM
C#Cc1cccc(N(CC)CC(=O)Nc2sccc2-c2nnn[n-]2)c1	ZINC000735391002	673492721	/nfs/dbraw/zinc/49/27/21/673492721.db2.gz	KGWYZQCDFGJTPJ-UHFFFAOYSA-N	-1	3	352.423	2.375	20	30		FEEDHM
C#Cc1cccc(N(CC)CC(=O)Nc2sccc2-c2nn[n-]n2)c1	ZINC000735391002	673492723	/nfs/dbraw/zinc/49/27/23/673492723.db2.gz	KGWYZQCDFGJTPJ-UHFFFAOYSA-N	-1	3	352.423	2.375	20	30		FEEDHM
N#Cc1ccc(NCC[N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)nc1	ZINC000738354944	673618633	/nfs/dbraw/zinc/61/86/33/673618633.db2.gz	KGTODZRDJYPVEP-UHFFFAOYSA-N	-1	3	372.237	2.045	20	30		FEEDHM
C=CC[C@H](CC)NC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1	ZINC000544000319	673682587	/nfs/dbraw/zinc/68/25/87/673682587.db2.gz	JJTIUBVQFNWQNV-JTQLQIEISA-N	-1	3	365.908	2.334	20	30		FEEDHM
C[C@H](CC(=O)NC1(C)CCCCC1)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000742571338	673731144	/nfs/dbraw/zinc/73/11/44/673731144.db2.gz	JBWURJLJKHDGQX-CYBMUJFWSA-N	-1	3	363.483	2.343	20	30		FEEDHM
CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)N[C@@H]2CCN([O-])C2=O)c1	ZINC000820149166	675339313	/nfs/dbraw/zinc/33/93/13/675339313.db2.gz	MIYGOCJOOQRTMI-CYBMUJFWSA-N	-1	3	353.806	2.045	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)O[C@@H](C(C)=O)C(C)C)ccc1F	ZINC000828696615	675837723	/nfs/dbraw/zinc/83/77/23/675837723.db2.gz	OVAMYXQAMIJMMQ-OAHLLOKOSA-N	-1	3	357.403	2.060	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)OCCC[C@H]2CCOC2)ccc1F	ZINC000828696462	675837803	/nfs/dbraw/zinc/83/78/03/675837803.db2.gz	MUOISFDWHATQJO-ZDUSSCGKSA-N	-1	3	371.430	2.264	20	30		FEEDHM
CC#CC[C@H](CO)[N-]S(=O)(=O)c1cccc(Cl)c1Br	ZINC000645884371	677274153	/nfs/dbraw/zinc/27/41/53/677274153.db2.gz	CRSHDHMSPJBWMC-SECBINFHSA-N	-1	3	366.664	2.155	20	30		FEEDHM
C=CCCCN(C)C(=O)C[C@@H](C)[N-]S(=O)(=O)c1cccnc1Cl	ZINC000760615758	680694983	/nfs/dbraw/zinc/69/49/83/680694983.db2.gz	MFOBSDXXEXELPI-GFCCVEGCSA-N	-1	3	359.879	2.217	20	30		FEEDHM
C#CCN(CC#C)[C@@H](C)c1nc(=O)c2c(C)c(C(=O)OCC)sc2[n-]1	ZINC000839501725	680757474	/nfs/dbraw/zinc/75/74/74/680757474.db2.gz	YOXSZQNIMUNEMW-LBPRGKRZSA-N	-1	3	357.435	2.099	20	30		FEEDHM
C=C[C@@H](C)NC(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl	ZINC000672463841	679376864	/nfs/dbraw/zinc/37/68/64/679376864.db2.gz	RDPMPWHXFODLQR-SECBINFHSA-N	-1	3	366.270	2.145	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2cnc(C)s2)ccc1F	ZINC000752415392	680240656	/nfs/dbraw/zinc/24/06/56/680240656.db2.gz	ZEKQMKXXRKDYKO-UHFFFAOYSA-N	-1	3	355.416	2.307	20	30		FEEDHM
C[C@H](CC(=O)OCC1CC(F)(F)C1)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000835489257	680338363	/nfs/dbraw/zinc/33/83/63/680338363.db2.gz	JDSIZAYWBZILEU-SNVBAGLBSA-N	-1	3	372.393	2.092	20	30		FEEDHM
C[C@@H](C#N)CN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)C1CC1	ZINC000754175738	680341515	/nfs/dbraw/zinc/34/15/15/680341515.db2.gz	UOCNLNXRUABKIX-NSHDSACASA-N	-1	3	365.430	2.031	20	30		FEEDHM
CCC1CN(C(=O)[C@H](CC(C)C)/N=C2/[N-]S(=O)(=O)c3ccccc32)C1	ZINC000837264286	680576123	/nfs/dbraw/zinc/57/61/23/680576123.db2.gz	RBOBWPHQHMNLFT-HNNXBMFYSA-N	-1	3	363.483	2.008	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)OCCCC(=O)CC)ccc1F	ZINC000759478877	680651754	/nfs/dbraw/zinc/65/17/54/680651754.db2.gz	UHIIQNVHVRUVIW-UHFFFAOYSA-N	-1	3	357.403	2.206	20	30		FEEDHM
CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)NCC2(C#N)CCC2)ccc1F	ZINC000841469369	680884350	/nfs/dbraw/zinc/88/43/50/680884350.db2.gz	ZHRWLTGCAQKRGN-UHFFFAOYSA-N	-1	3	367.446	2.326	20	30		FEEDHM
C#CC[C@@H]1CCCN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]CC=C)c2)C1	ZINC000843678375	681013181	/nfs/dbraw/zinc/01/31/81/681013181.db2.gz	LQRCRUBGKCNXSX-CQSZACIVSA-N	-1	3	364.442	2.166	20	30		FEEDHM
NS(=O)(=O)c1ccccc1NN=Cc1cc(Br)ccc1[O-]	ZINC000773126619	681126856	/nfs/dbraw/zinc/12/68/56/681126856.db2.gz	ZPEYEALUDMTZEM-UHFFFAOYSA-N	-1	3	370.228	2.248	20	30		FEEDHM
CN(C)c1cc(NC(=O)N[C@@H]2CCCN([O-])C2=O)cc(C(F)(F)F)c1	ZINC000933708066	681454836	/nfs/dbraw/zinc/45/48/36/681454836.db2.gz	CDQXIFFUMFAKKT-GFCCVEGCSA-N	-1	3	360.336	2.273	20	30		FEEDHM
CCc1c(C(=O)N[C@@H]2CCCN([O-])C2=O)cnn1-c1ccc(Cl)cc1	ZINC000848134734	681478125	/nfs/dbraw/zinc/47/81/25/681478125.db2.gz	YFOONBGGPGHHHV-CQSZACIVSA-N	-1	3	362.817	2.198	20	30		FEEDHM
Cc1nc(-c2cccs2)c(CC(=O)N[C@@H]2CCCN([O-])C2=O)s1	ZINC000848137432	681478645	/nfs/dbraw/zinc/47/86/45/681478645.db2.gz	FHERBABVPDHYOW-SNVBAGLBSA-N	-1	3	351.453	2.219	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H](C)[C@H](F)C2)ccc1F	ZINC000778472742	681615515	/nfs/dbraw/zinc/61/55/15/681615515.db2.gz	XOUKBZHRWMHFHY-BXUZGUMPSA-N	-1	3	358.410	2.110	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H](C)[C@@H](F)C2)ccc1F	ZINC000778472744	681615529	/nfs/dbraw/zinc/61/55/29/681615529.db2.gz	XOUKBZHRWMHFHY-RISCZKNCSA-N	-1	3	358.410	2.110	20	30		FEEDHM
N#Cc1ccc([C@H](O)C(=O)NCc2ccc([O-])c(Br)c2)cc1	ZINC000780985659	681892441	/nfs/dbraw/zinc/89/24/41/681892441.db2.gz	SOTJMONIHHWHQD-HNNXBMFYSA-N	-1	3	361.195	2.376	20	30		FEEDHM
CC(C)C[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OCC(C)(C)F	ZINC000785922845	682336970	/nfs/dbraw/zinc/33/69/70/682336970.db2.gz	CQYPPTYRZHBXPX-CYBMUJFWSA-N	-1	3	370.446	2.431	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H](CC#N)C2)ccc1F	ZINC000855260405	682645237	/nfs/dbraw/zinc/64/52/37/682645237.db2.gz	ZDIBXIBECDAHTC-ZDUSSCGKSA-N	-1	3	365.430	2.056	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)OCC2(OC)CCCC2)ccc1F	ZINC000791317437	682734167	/nfs/dbraw/zinc/73/41/67/682734167.db2.gz	HHGZPSGDSSYMJD-UHFFFAOYSA-N	-1	3	371.430	2.406	20	30		FEEDHM
C=CCCO[N-]C(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1	ZINC000856028737	682735825	/nfs/dbraw/zinc/73/58/25/682735825.db2.gz	NHJYDDRCNQMWBS-UHFFFAOYSA-N	-1	3	352.456	2.028	20	30		FEEDHM
CC(C)[C@@H](NC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21)C1CC1	ZINC000856126390	682743948	/nfs/dbraw/zinc/74/39/48/682743948.db2.gz	UFFQZZQMJQQULT-SJKOYZFVSA-N	-1	3	363.483	2.055	20	30		FEEDHM
CCOc1cc(C=NN2C(=O)[C@H](C)N(C)C2=O)cc(Br)c1[O-]	ZINC000857217170	682865960	/nfs/dbraw/zinc/86/59/60/682865960.db2.gz	NFKYRFWZVXBKIY-QMMMGPOBSA-N	-1	3	370.203	2.170	20	30		FEEDHM
CC(C)C[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NCCCCF	ZINC000794416567	682967175	/nfs/dbraw/zinc/96/71/75/682967175.db2.gz	RSKYUZNLSMUGRX-CQSZACIVSA-N	-1	3	369.462	2.006	20	30		FEEDHM
C#CC[C@H](COC)[N-]S(=O)(=O)c1cc(Br)ccc1Cl	ZINC000859427995	683108115	/nfs/dbraw/zinc/10/81/15/683108115.db2.gz	SWZOJWSWNSYJND-SNVBAGLBSA-N	-1	3	366.664	2.419	20	30		FEEDHM
C[C@H](OC(=O)c1cc([O-])cc(Br)c1)C(=O)N(C)CCC#N	ZINC000860203097	683215803	/nfs/dbraw/zinc/21/58/03/683215803.db2.gz	WOCJPWDDRZUTIO-VIFPVBQESA-N	-1	3	355.188	2.072	20	30		FEEDHM
CC(C)CN(C(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21)C1CCCC1	ZINC000919998610	683312422	/nfs/dbraw/zinc/31/24/22/683312422.db2.gz	KULURHARLBATMH-UHFFFAOYSA-N	-1	3	363.483	2.152	20	30		FEEDHM
CN(C)Cc1csc(C[N-]S(=O)(=O)CC2(C#N)CCCCC2)n1	ZINC000921093134	683395080	/nfs/dbraw/zinc/39/50/80/683395080.db2.gz	LDGWVSKRAIWIMY-UHFFFAOYSA-N	-1	3	356.517	2.098	20	30		FEEDHM
C=C(C)CS(=O)(=O)[N-][C@H](C(=O)OC)c1ccc(C(F)(F)F)cc1	ZINC000921854538	683594781	/nfs/dbraw/zinc/59/47/81/683594781.db2.gz	PEUKRDLNOSOQQZ-LBPRGKRZSA-N	-1	3	351.346	2.415	20	30		FEEDHM
Cn1nc(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)cc1C1CC1	ZINC000921913141	683611035	/nfs/dbraw/zinc/61/10/35/683611035.db2.gz	CPWQAZWQRFWKAT-UHFFFAOYSA-N	-1	3	350.831	2.301	20	30		FEEDHM
CS(=O)(=O)N1CCC(N=Nc2nc3ccccc3[n-]c2=S)CC1	ZINC000863129930	683679019	/nfs/dbraw/zinc/67/90/19/683679019.db2.gz	YPPOZRSGPBIGAN-UHFFFAOYSA-N	-1	3	351.457	2.116	20	30		FEEDHM
C[C@@H](CC(=O)OCCCC(C)(F)F)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000922498818	683736458	/nfs/dbraw/zinc/73/64/58/683736458.db2.gz	VSCKZRMJNYTNNX-NSHDSACASA-N	-1	3	374.409	2.482	20	30		FEEDHM
CC(C)C[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NCC(C)(C)F	ZINC000869629051	684637053	/nfs/dbraw/zinc/63/70/53/684637053.db2.gz	WJLXLAFZMLFUGO-CYBMUJFWSA-N	-1	3	369.462	2.004	20	30		FEEDHM
CC(C)[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@@H]2CCC[C@H]2C#N)ccc1F	ZINC000870676912	684744035	/nfs/dbraw/zinc/74/40/35/684744035.db2.gz	PGSHMLGHCPFUCD-DZGCQCFKSA-N	-1	3	367.446	2.277	20	30		FEEDHM
C=C[C@@](C)(O)C(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21	ZINC000871318227	684805063	/nfs/dbraw/zinc/80/50/63/684805063.db2.gz	XGCSKWZMFZSNOZ-BDJLRTHQSA-N	-1	3	356.344	2.122	20	30		FEEDHM
Cc1c(NC(=O)N[C@@H]2CCCN([O-])C2=O)cccc1OCC(F)(F)F	ZINC000878580443	686612616	/nfs/dbraw/zinc/61/26/16/686612616.db2.gz	FCXWOQBPANJVOY-LLVKDONJSA-N	-1	3	361.320	2.438	20	30		FEEDHM
C=C(C)C[C@H]([N-]S(=O)(=O)CC[C@@H]1CC1(Cl)Cl)C(=O)OCC	ZINC000882645111	687425798	/nfs/dbraw/zinc/42/57/98/687425798.db2.gz	KNXJJLXRSJSYEF-MNOVXSKESA-N	-1	3	358.287	2.388	20	30		FEEDHM
C=C(C)C[C@H]([N-]S(=O)(=O)CCc1noc2ccccc21)C(=O)OCC	ZINC000882645519	687426020	/nfs/dbraw/zinc/42/60/20/687426020.db2.gz	YIUJXYWCOXUEST-HNNXBMFYSA-N	-1	3	366.439	2.188	20	30		FEEDHM
O=C1[C@H](NCc2cn(-c3cccc(Cl)c3Cl)nn2)CCCN1[O-]	ZINC000895163073	689669792	/nfs/dbraw/zinc/66/97/92/689669792.db2.gz	QMCUKRCWZULSQW-LLVKDONJSA-N	-1	3	356.213	2.044	20	30		FEEDHM
CC(C)[C@H](C#N)[N-]S(=O)(=O)c1ccc(I)s1	ZINC000903621452	690941299	/nfs/dbraw/zinc/94/12/99/690941299.db2.gz	HMPVOJLFCPUPJH-ZETCQYMHSA-N	-1	3	370.237	2.179	20	30		FEEDHM
O=C(CCCC[C@H]1SC[C@H]2NC(=O)N[C@@H]12)N([O-])Cc1ccc(F)cc1	ZINC000904173269	691009908	/nfs/dbraw/zinc/00/99/08/691009908.db2.gz	IAFDIZSBWVFKQK-IIAWOOMASA-N	-1	3	367.446	2.269	20	30		FEEDHM
C#C[C@H](NC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1)[C@H]1CCCO1	ZINC000907485468	691499076	/nfs/dbraw/zinc/49/90/76/691499076.db2.gz	GDDSOCZTDPRDPZ-WDEREUQCSA-N	-1	3	351.428	2.401	20	30		FEEDHM
C=C(Cl)C[C@@H](NC(=O)NC[C@@H](C)N(C)Cc1ccccc1)C(=O)[O-]	ZINC000908990776	691763034	/nfs/dbraw/zinc/76/30/34/691763034.db2.gz	UJBSAMKWDLUGEJ-UKRRQHHQSA-N	-1	3	353.850	2.402	20	30		FEEDHM
C=C(Cl)C[C@H](NC(=O)c1ccc(N2CCN(CC)CC2)cc1)C(=O)[O-]	ZINC000910266699	691908711	/nfs/dbraw/zinc/90/87/11/691908711.db2.gz	NSHMVFDEVHCKLW-INIZCTEOSA-N	-1	3	365.861	2.154	20	30		FEEDHM
Cc1ncc(CO)c(/C=N/C[C@@H](c2cccs2)N2CCOCC2)c1[O-]	ZINC000005110762	539402261	/nfs/dbraw/zinc/40/22/61/539402261.db2.gz	VILVWGUONIDYTG-JJLFXSABSA-N	-1	3	361.467	2.142	20	30		FEEDHM
Cn1ccnc1[C@H]([N-]S(=O)(=O)c1ccccc1C#N)c1ccc(F)cc1	ZINC000017521719	539642409	/nfs/dbraw/zinc/64/24/09/539642409.db2.gz	YBMXTVVPLNMCQX-QGZVFWFLSA-N	-1	3	370.409	2.499	20	30		FEEDHM
C=CCNC(=O)[C@H](C)Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1	ZINC000021603412	539684858	/nfs/dbraw/zinc/68/48/58/539684858.db2.gz	QDIAAWDYEMGPAG-NSHDSACASA-N	-1	3	355.423	2.304	20	30		FEEDHM
COC(=O)Cc1ccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1	ZINC000042637199	540072077	/nfs/dbraw/zinc/07/20/77/540072077.db2.gz	AOVRZELBGJGDGV-UHFFFAOYSA-N	-1	3	367.405	2.150	20	30		FEEDHM
C[C@@H](Cn1cccn1)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000056052963	540697542	/nfs/dbraw/zinc/69/75/42/540697542.db2.gz	MHXZWCRITXDXJV-JTQLQIEISA-N	-1	3	358.345	2.141	20	30		FEEDHM
CNC(=O)COc1ccc(C([O-])=C(C#N)c2nc(C)cs2)cc1OC	ZINC000066504305	541330776	/nfs/dbraw/zinc/33/07/76/541330776.db2.gz	PJDGCKICORGJKB-LBPRGKRZSA-N	-1	3	359.407	2.075	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1ccc(F)c(C#N)c1	ZINC000076881076	542327533	/nfs/dbraw/zinc/32/75/33/542327533.db2.gz	SEXMZTNRXYAESG-SECBINFHSA-N	-1	3	353.400	2.064	20	30		FEEDHM
C[N-]S(=O)(=O)c1cc(C(=O)N[C@](C)(C#N)C2CCCCC2)c(C)o1	ZINC000081761171	542675778	/nfs/dbraw/zinc/67/57/78/542675778.db2.gz	DVZWYJYTTHIMJW-MRXNPFEDSA-N	-1	3	353.444	2.089	20	30		FEEDHM
COc1ccc(O[C@@H](C)C[N-]S(=O)(=O)c2ccc(F)cc2C#N)cc1	ZINC000122671354	543716966	/nfs/dbraw/zinc/71/69/66/543716966.db2.gz	TXBMJTFUYYVDFP-LBPRGKRZSA-N	-1	3	364.398	2.452	20	30		FEEDHM
N#Cc1ccc(CNCC[N-]S(=O)(=O)c2ccc(Cl)s2)s1	ZINC000127839503	544017174	/nfs/dbraw/zinc/01/71/74/544017174.db2.gz	JRWIDZHIJOWACR-UHFFFAOYSA-N	-1	3	361.901	2.403	20	30		FEEDHM
N#Cc1cccnc1N1CCN(C(=O)Cc2ccc([O-])cc2Cl)CC1	ZINC000136095919	544366690	/nfs/dbraw/zinc/36/66/90/544366690.db2.gz	JFYBSDIAMZSYEI-UHFFFAOYSA-N	-1	3	356.813	2.204	20	30		FEEDHM
C[C@H](CC#N)N(C)C(=O)Cc1csc(NC(=O)c2cccc([O-])c2)n1	ZINC000136999176	544382794	/nfs/dbraw/zinc/38/27/94/544382794.db2.gz	QNGPHBPYHKJNHG-LLVKDONJSA-N	-1	3	358.423	2.404	20	30		FEEDHM
CCc1cccc(NC(=O)C[N-]S(=O)(=O)c2ccc(C#N)cc2F)c1	ZINC000151131013	544508846	/nfs/dbraw/zinc/50/88/46/544508846.db2.gz	XZZVDPFINMVHGN-UHFFFAOYSA-N	-1	3	361.398	2.177	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]CCOc2ccc(F)cc2F)c(F)c1	ZINC000151164142	544511527	/nfs/dbraw/zinc/51/15/27/544511527.db2.gz	OGTRPYXPDCZMPN-UHFFFAOYSA-N	-1	3	356.325	2.333	20	30		FEEDHM
CCO[C@H]1C[C@@H](NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C12CCC2	ZINC000152369943	544645285	/nfs/dbraw/zinc/64/52/85/544645285.db2.gz	IVFKOSOBBMFCKD-SJORKVTESA-N	-1	3	357.454	2.260	20	30		FEEDHM
C=C(C)CNC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1C(F)(F)F	ZINC000153011393	544723230	/nfs/dbraw/zinc/72/32/30/544723230.db2.gz	HBEKBTUIHREBJD-JTQLQIEISA-N	-1	3	350.362	2.065	20	30		FEEDHM
CN(CCC[N-]S(=O)(=O)c1ccc(C#N)cc1Cl)CC(F)(F)F	ZINC000183501954	327821534	/nfs/dbraw/zinc/82/15/34/327821534.db2.gz	MWQUCTABAKMGTI-UHFFFAOYSA-N	-1	3	369.796	2.374	20	30		FEEDHM
CCO[C@H]1C[C@](O)(C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)C1(C)C	ZINC000188474846	328089369	/nfs/dbraw/zinc/08/93/69/328089369.db2.gz	HCVZVEBSUQRYPO-HOCLYGCPSA-N	-1	3	372.874	2.056	20	30		FEEDHM
C[C@H](CN1CCC[C@H](C)C1)[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000189146880	328131214	/nfs/dbraw/zinc/13/12/14/328131214.db2.gz	GELVSELWBOTGLW-NWDGAFQWSA-N	-1	3	357.426	2.235	20	30		FEEDHM
N#Cc1ccc(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)cc1[O-]	ZINC000192231094	328308010	/nfs/dbraw/zinc/30/80/10/328308010.db2.gz	FYFLVOARQVHKHE-LJQANCHMSA-N	-1	3	365.433	2.285	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1cc(C#N)ccc1F	ZINC000080776312	325143405	/nfs/dbraw/zinc/14/34/05/325143405.db2.gz	OSWUNYXALYELLS-UHFFFAOYSA-N	-1	3	352.369	2.123	20	30		FEEDHM
CC[S@@](=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(F)cc2C#N)C1	ZINC000125695175	326476261	/nfs/dbraw/zinc/47/62/61/326476261.db2.gz	MPASFQJQDJQOEP-OKHZJLECSA-N	-1	3	358.460	2.055	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)C[C@@H](O)c1ccccc1	ZINC000161768357	327008542	/nfs/dbraw/zinc/00/85/42/327008542.db2.gz	WXDPXDCTSSRQTO-ORAYPTAESA-N	-1	3	367.449	2.424	20	30		FEEDHM
C[C@@H](NC(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1)c1ccc(C#N)cc1	ZINC000162597073	327029551	/nfs/dbraw/zinc/02/95/51/327029551.db2.gz	KWMRIEPPIRILBB-MPBGBICISA-N	-1	3	362.389	2.104	20	30		FEEDHM
Cc1ccsc1[C@@H](CO)[N-]S(=O)(=O)Cc1cc(C#N)ccc1F	ZINC000164277028	327067594	/nfs/dbraw/zinc/06/75/94/327067594.db2.gz	RFJWLLDYYUCXIT-CQSZACIVSA-N	-1	3	354.428	2.220	20	30		FEEDHM
COc1ccc2c(c1)N(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)CCO2	ZINC000173209412	327241323	/nfs/dbraw/zinc/24/13/23/327241323.db2.gz	JWIWSNMGVTXNEF-UHFFFAOYSA-N	-1	3	367.405	2.230	20	30		FEEDHM
CO[C@]1(C)C[C@@H](N(C)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C1(C)C	ZINC000175242005	327382028	/nfs/dbraw/zinc/38/20/28/327382028.db2.gz	LMUMINAEYTVQFG-OXQOHEQNSA-N	-1	3	359.470	2.458	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)C(=O)Nc1ccccc1	ZINC000264830508	329065369	/nfs/dbraw/zinc/06/53/69/329065369.db2.gz	LHOHPHPIRFJUJD-CQSZACIVSA-N	-1	3	366.421	2.352	20	30		FEEDHM
CN(C)C(=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C#N)C1	ZINC000269687898	329540252	/nfs/dbraw/zinc/54/02/52/329540252.db2.gz	VWONQDMRGOJHDB-RISCZKNCSA-N	-1	3	369.874	2.137	20	30		FEEDHM
C[C@@H](CO)CCC[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000270198777	329581715	/nfs/dbraw/zinc/58/17/15/329581715.db2.gz	BQLXJUDAWIDWKQ-SNVBAGLBSA-N	-1	3	350.362	2.264	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nc2cccnc2n1C	ZINC000274425703	329947621	/nfs/dbraw/zinc/94/76/21/329947621.db2.gz	FBAIXPQYTCJKSO-UHFFFAOYSA-N	-1	3	350.382	2.129	20	30		FEEDHM
Cc1ccc(OCC[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)cc1	ZINC000156118957	545600232	/nfs/dbraw/zinc/60/02/32/545600232.db2.gz	HYRWFOCHDYBGSY-UHFFFAOYSA-N	-1	3	361.379	2.132	20	30		FEEDHM
C=CCOCC(=O)Nc1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1F	ZINC000477453556	561145430	/nfs/dbraw/zinc/14/54/30/561145430.db2.gz	FFBORXFNNPTXNS-UHFFFAOYSA-N	-1	3	362.810	2.061	20	30		FEEDHM
Cc1ccc(CN(CCO)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)o1	ZINC000478400057	561165956	/nfs/dbraw/zinc/16/59/56/561165956.db2.gz	SFHDQXUDYHRMOZ-UHFFFAOYSA-N	-1	3	357.410	2.131	20	30		FEEDHM
CCC(O)(CC)C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000160223149	546019078	/nfs/dbraw/zinc/01/90/78/546019078.db2.gz	KQQFALMEUVZBDA-UHFFFAOYSA-N	-1	3	350.362	2.406	20	30		FEEDHM
N#CCCCCS(=O)(=O)[N-]C[C@](O)(c1ccccc1)C(F)(F)F	ZINC000160885082	546080907	/nfs/dbraw/zinc/08/09/07/546080907.db2.gz	BWZRBSVJHPNKIR-ZDUSSCGKSA-N	-1	3	350.362	2.050	20	30		FEEDHM
COc1ccccc1[C@@H]([N-]S(=O)(=O)CC1(C#N)CC1)c1ccccn1	ZINC000166199011	546155124	/nfs/dbraw/zinc/15/51/24/546155124.db2.gz	KZZVWCYZDJZPFI-QGZVFWFLSA-N	-1	3	357.435	2.403	20	30		FEEDHM
Cc1ccc(C(=O)NCCC(=O)NCc2ccc(C#N)cc2F)c([O-])c1	ZINC000171487869	546211507	/nfs/dbraw/zinc/21/15/07/546211507.db2.gz	IHZIUZSEAHDGFF-UHFFFAOYSA-N	-1	3	355.369	2.148	20	30		FEEDHM
N#Cc1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c(F)c1	ZINC000171620496	546216269	/nfs/dbraw/zinc/21/62/69/546216269.db2.gz	IZGXTBBNLIGEFR-UHFFFAOYSA-N	-1	3	353.306	2.223	20	30		FEEDHM
CC(=O)c1cc(F)cc(CN2CCN(c3ccc(C#N)cn3)CC2)c1[O-]	ZINC000175594464	546317259	/nfs/dbraw/zinc/31/72/59/546317259.db2.gz	SNMYWJVYYCPDBY-UHFFFAOYSA-N	-1	3	354.385	2.323	20	30		FEEDHM
O=C(NCC#Cc1ccc(C(F)(F)F)cc1)c1ccc2c(c1)C(=O)[N-]C2=O	ZINC000175717859	546338968	/nfs/dbraw/zinc/33/89/68/546338968.db2.gz	YNXCITLNSSNAFF-UHFFFAOYSA-N	-1	3	372.302	2.371	20	30		FEEDHM
N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H]1COc2ccccc2O1	ZINC000480293286	561206601	/nfs/dbraw/zinc/20/66/01/561206601.db2.gz	XEXJJZOBAYZOSK-CYBMUJFWSA-N	-1	3	364.810	2.330	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@H](C#N)C1CCCCC1	ZINC000176641565	546472039	/nfs/dbraw/zinc/47/20/39/546472039.db2.gz	IYFSLTXCXBFDSN-DGCLKSJQSA-N	-1	3	355.485	2.004	20	30		FEEDHM
C=CC[C@H](C)NS(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)c(F)c1	ZINC000179364101	546940340	/nfs/dbraw/zinc/94/03/40/546940340.db2.gz	DWNTVEVJWYVZEM-NSHDSACASA-N	-1	3	364.464	2.220	20	30		FEEDHM
CCCN(CC#N)C(=O)Cc1csc(NC(=O)c2cccc([O-])c2)n1	ZINC000179933028	547030004	/nfs/dbraw/zinc/03/00/04/547030004.db2.gz	OUWAJCPVSPWJEK-UHFFFAOYSA-N	-1	3	358.423	2.406	20	30		FEEDHM
N#CC(=C([O-])c1cccc([N+](=O)[O-])c1N1CCOCC1)c1ccccn1	ZINC000181099561	547250372	/nfs/dbraw/zinc/25/03/72/547250372.db2.gz	BWIMFECSOHAIQW-AWEZNQCLSA-N	-1	3	352.350	2.316	20	30		FEEDHM
CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-][C@@]1(C#N)CCC[C@H](C)C1	ZINC000182010102	547421274	/nfs/dbraw/zinc/42/12/74/547421274.db2.gz	AHCLXEGEAXATEB-ZBEGNZNMSA-N	-1	3	354.428	2.379	20	30		FEEDHM
CS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)c1	ZINC000486485493	561348657	/nfs/dbraw/zinc/34/86/57/561348657.db2.gz	HDAPNDRXQHNFSV-UHFFFAOYSA-N	-1	3	370.839	2.416	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)c1ccc(C#N)c(F)c1)c1cn(-c2ccccc2)nn1	ZINC000489708599	561417557	/nfs/dbraw/zinc/41/75/57/561417557.db2.gz	ZAUUUIRDYVSHAV-LBPRGKRZSA-N	-1	3	371.397	2.318	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1C	ZINC000263739363	549929615	/nfs/dbraw/zinc/92/96/15/549929615.db2.gz	DLGPOYDCDPZJCB-WFASDCNBSA-N	-1	3	372.469	2.114	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@H](C(C)(C)C)[C@@H](O)C1	ZINC000272130182	550424342	/nfs/dbraw/zinc/42/43/42/550424342.db2.gz	RZCYFVRTFRUAAF-SJORKVTESA-N	-1	3	359.470	2.464	20	30		FEEDHM
CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CCC(C)(C#N)CC1	ZINC000272685165	550464766	/nfs/dbraw/zinc/46/47/66/550464766.db2.gz	MUCKOSQFWABAJQ-UHFFFAOYSA-N	-1	3	363.439	2.324	20	30		FEEDHM
O=C([N-]CC(F)(F)F)C(=O)Nc1ccc(F)cc1OCC(F)(F)F	ZINC000274454750	550538620	/nfs/dbraw/zinc/53/86/20/550538620.db2.gz	JFSIHPXXJLNPOV-UHFFFAOYSA-N	-1	3	362.201	2.384	20	30		FEEDHM
CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)c2ccc(C(N)=O)cc2)C1=O	ZINC000278831825	550826868	/nfs/dbraw/zinc/82/68/68/550826868.db2.gz	QRBXQWYDXZOZBW-IBGZPJMESA-N	-1	3	374.441	2.101	20	30		FEEDHM
C=C(C)CN(Cc1ccccc1)S(=O)(=O)c1[n-]ncc1C(=O)OCC	ZINC000280202099	550970636	/nfs/dbraw/zinc/97/06/36/550970636.db2.gz	GARCXJKWFKTWFS-UHFFFAOYSA-N	-1	3	363.439	2.353	20	30		FEEDHM
C=C(C)CN(Cc1ccccc1)S(=O)(=O)c1n[n-]cc1C(=O)OCC	ZINC000280202099	550970637	/nfs/dbraw/zinc/97/06/37/550970637.db2.gz	GARCXJKWFKTWFS-UHFFFAOYSA-N	-1	3	363.439	2.353	20	30		FEEDHM
C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1c(C)csc1C(=O)OC	ZINC000280491534	550999880	/nfs/dbraw/zinc/99/98/80/550999880.db2.gz	BEDLEKQXHRVHEH-VXGBXAGGSA-N	-1	3	359.469	2.103	20	30		FEEDHM
N#CC1CCC(C[N-]S(=O)(=O)c2ccc(Br)cn2)CC1	ZINC000282499403	551237883	/nfs/dbraw/zinc/23/78/83/551237883.db2.gz	KGCBRSWQSFVIDR-UHFFFAOYSA-N	-1	3	358.261	2.452	20	30		FEEDHM
CC[C@]([N-]S(=O)(=O)CCCC#N)(C(=O)OC)c1ccc(Cl)cc1	ZINC000285405704	551751176	/nfs/dbraw/zinc/75/11/76/551751176.db2.gz	UKQBEFJGSRVOGM-OAHLLOKOSA-N	-1	3	358.847	2.341	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc2c1CNC2=O	ZINC000286736821	551920558	/nfs/dbraw/zinc/92/05/58/551920558.db2.gz	NPCGNZFIEFHJNA-UHFFFAOYSA-N	-1	3	350.378	2.090	20	30		FEEDHM
CCOC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(C#N)o1)c1ccc(F)cc1	ZINC000286788804	551926320	/nfs/dbraw/zinc/92/63/20/551926320.db2.gz	XVJNEAVYXSANDV-AWEZNQCLSA-N	-1	3	366.370	2.263	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]CC2CCN(Cc3cccs3)CC2)o1	ZINC000287061635	551958587	/nfs/dbraw/zinc/95/85/87/551958587.db2.gz	WZOBIDXVETUPSK-UHFFFAOYSA-N	-1	3	365.480	2.403	20	30		FEEDHM
N#Cc1c(Br)cccc1S(=O)(=O)[N-]CCCCCCO	ZINC000287786417	552046379	/nfs/dbraw/zinc/04/63/79/552046379.db2.gz	KWTCHQITNGXVFT-UHFFFAOYSA-N	-1	3	361.261	2.152	20	30		FEEDHM
Cc1ccc(C[N-]S(=O)(=O)c2ccc(C#N)o2)c(O[C@@H]2CCOC2)c1	ZINC000288115670	552094328	/nfs/dbraw/zinc/09/43/28/552094328.db2.gz	LUHQTBRFPNDKFH-OAHLLOKOSA-N	-1	3	362.407	2.106	20	30		FEEDHM
CCN1CCN(c2cccc([N-]S(=O)(=O)c3ccc(C#N)o3)c2)CC1	ZINC000288573887	552177362	/nfs/dbraw/zinc/17/73/62/552177362.db2.gz	KZSBHDRMFSQLPL-UHFFFAOYSA-N	-1	3	360.439	2.094	20	30		FEEDHM
N#Cc1cccc(CNC(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c1	ZINC000290669219	552516719	/nfs/dbraw/zinc/51/67/19/552516719.db2.gz	KGFXBNCGXOPRLL-CQSZACIVSA-N	-1	3	368.359	2.158	20	30		FEEDHM
C=CCN(CCc1ccccc1)C(=O)c1cncc([N-]S(C)(=O)=O)c1	ZINC000502819192	561626420	/nfs/dbraw/zinc/62/64/20/561626420.db2.gz	BCJRVLGXRDDNBA-UHFFFAOYSA-N	-1	3	359.451	2.324	20	30		FEEDHM
Cc1ncc(CO)c(/C=N/c2ccc(CCN3CCOCC3)cc2)c1[O-]	ZINC000298785313	553472625	/nfs/dbraw/zinc/47/26/25/553472625.db2.gz	PTGIGIJZECUVHG-LPYMAVHISA-N	-1	3	355.438	2.213	20	30		FEEDHM
C[C@H](C(=O)Nc1cccc2ncccc21)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1	ZINC000328931872	553847330	/nfs/dbraw/zinc/84/73/30/553847330.db2.gz	ZXEANFQBLFZBDR-ABAIWWIYSA-N	-1	3	353.382	2.288	20	30		FEEDHM
CN(C)C(=O)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)C1	ZINC000330767865	554168963	/nfs/dbraw/zinc/16/89/63/554168963.db2.gz	XGSJHANVLRQYMJ-QWHCGFSZSA-N	-1	3	369.874	2.137	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)C(=O)N1CCCC[C@@H]1C	ZINC000331261255	554237987	/nfs/dbraw/zinc/23/79/87/554237987.db2.gz	CDEPRYUNWSADIS-RYUDHWBXSA-N	-1	3	369.874	2.279	20	30		FEEDHM
C[C@H](C[N-]S(=O)(=O)c1ccc(C#N)s1)N1CCc2sccc2C1	ZINC000331677117	554306681	/nfs/dbraw/zinc/30/66/81/554306681.db2.gz	SYSPRRWGHKDSOQ-LLVKDONJSA-N	-1	3	367.521	2.406	20	30		FEEDHM
C[C@@H](CC#N)N(C)S(=O)(=O)[N-][C@@H](CO)c1c(Cl)cccc1Cl	ZINC000509262789	561792853	/nfs/dbraw/zinc/79/28/53/561792853.db2.gz	IQPCNXYAUOQJEY-CABZTGNLSA-N	-1	3	366.270	2.095	20	30		FEEDHM
C[C@H]1CCC[C@](C#N)([N-]S(=O)(=O)c2cc3oc(=O)[nH]c3cc2F)C1	ZINC000332645259	554490115	/nfs/dbraw/zinc/49/01/15/554490115.db2.gz	HANHJUYGDMRONE-VFZGTOFNSA-N	-1	3	353.375	2.011	20	30		FEEDHM
Cn1ccnc1[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C1CC1	ZINC000510450638	561834910	/nfs/dbraw/zinc/83/49/10/561834910.db2.gz	WQSMFGGPZOXQDO-CQSZACIVSA-N	-1	3	350.831	2.375	20	30		FEEDHM
CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)N=c1[n-]n(C)cc1C#N	ZINC000610564024	554529865	/nfs/dbraw/zinc/52/98/65/554529865.db2.gz	CKGUQAYPBWGMJB-UHFFFAOYSA-N	-1	3	362.384	2.166	20	30		FEEDHM
CN(CCC1CCN(c2ccncc2)CC1)C(=O)N=c1[n-]n(C)cc1C#N	ZINC000611303325	554624099	/nfs/dbraw/zinc/62/40/99/554624099.db2.gz	RDELHAHMNSDPDT-UHFFFAOYSA-N	-1	3	367.457	2.457	20	30		FEEDHM
N#Cc1cccnc1-n1cc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cn1	ZINC000364085726	555246652	/nfs/dbraw/zinc/24/66/52/555246652.db2.gz	JEFRVQXODLKJHQ-UHFFFAOYSA-N	-1	3	374.320	2.176	20	30		FEEDHM
Cc1ccc([O-])c(NC(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)n1	ZINC000365148547	555495576	/nfs/dbraw/zinc/49/55/76/555495576.db2.gz	DXFFKEOZXLPEGL-OAHLLOKOSA-N	-1	3	350.378	2.097	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-][C@@H](c1ccccc1)c1cccnc1	ZINC000365405913	555566556	/nfs/dbraw/zinc/56/65/56/555566556.db2.gz	PPHDMGGRDKHZKK-SFHVURJKSA-N	-1	3	350.403	2.416	20	30		FEEDHM
N#Cc1ccc(CCC(=O)N2CCN(C(=O)c3cccc([O-])c3)CC2)cc1	ZINC000513258746	561931375	/nfs/dbraw/zinc/93/13/75/561931375.db2.gz	VKTXWQNOCUCVNJ-UHFFFAOYSA-N	-1	3	363.417	2.181	20	30		FEEDHM
CCOc1ncccc1CNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C	ZINC000513277351	561931887	/nfs/dbraw/zinc/93/18/87/561931887.db2.gz	PRZJWOSXXOGSPS-UHFFFAOYSA-N	-1	3	354.410	2.318	20	30		FEEDHM
Cc1ncc2c(n1)CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)C2	ZINC000371017519	557046249	/nfs/dbraw/zinc/04/62/49/557046249.db2.gz	JZTFRAAFOMAVFO-AWEZNQCLSA-N	-1	3	362.842	2.146	20	30		FEEDHM
Cc1cc(F)ccc1N1CCC[C@H]([N-]S(=O)(=O)CCCCC#N)C1=O	ZINC000371739832	557279765	/nfs/dbraw/zinc/27/97/65/557279765.db2.gz	QGSJKMAKHRRGRL-HNNXBMFYSA-N	-1	3	367.446	2.243	20	30		FEEDHM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-]	ZINC000373827281	557767963	/nfs/dbraw/zinc/76/79/63/557767963.db2.gz	TYGOHZHEEAWIFK-ZVZYQTTQSA-N	-1	3	358.438	2.094	20	30		FEEDHM
N#Cc1ccc(CC(C#N)C(=O)N2CCC(c3n[n-]c(=S)o3)CC2)cc1	ZINC000375694007	558068787	/nfs/dbraw/zinc/06/87/87/558068787.db2.gz	VAQCGWIYCRWPQV-OAHLLOKOSA-N	-1	3	367.434	2.318	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-]C[C@@H]1CCCN(c2ccccc2)C1	ZINC000376045764	558119017	/nfs/dbraw/zinc/11/90/17/558119017.db2.gz	XRAXNTIXJAZBQX-HNNXBMFYSA-N	-1	3	356.451	2.148	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H](c2ccnn2C)C1	ZINC000376600063	558196089	/nfs/dbraw/zinc/19/60/89/558196089.db2.gz	OBVFTKLFSGGJNN-OAHLLOKOSA-N	-1	3	367.453	2.348	20	30		FEEDHM
N#Cc1cc(F)ccc1NC(=O)N1CC(S(=O)(=O)[N-]c2ccccc2)C1	ZINC000378577393	558587459	/nfs/dbraw/zinc/58/74/59/558587459.db2.gz	DONFRJRJWWZBSL-UHFFFAOYSA-N	-1	3	374.397	2.355	20	30		FEEDHM
CCN(CCC#N)S(=O)(=O)[N-][C@@H](C)c1nc(C2CCCCC2)no1	ZINC000410145679	558741742	/nfs/dbraw/zinc/74/17/42/558741742.db2.gz	NSVNVLBPZDFURV-LBPRGKRZSA-N	-1	3	355.464	2.248	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]CCc2cn3c(n2)SCC3)c(Cl)c1	ZINC000526050584	562265300	/nfs/dbraw/zinc/26/53/00/562265300.db2.gz	UWCRJOYOKCWIBA-UHFFFAOYSA-N	-1	3	368.871	2.035	20	30		FEEDHM
N#Cc1ccc(Br)cc1S(=O)(=O)[N-]C[C@@H]1CCCCO1	ZINC000416385547	559309121	/nfs/dbraw/zinc/30/91/21/559309121.db2.gz	HVKLYDDBVFVHPA-LBPRGKRZSA-N	-1	3	359.245	2.168	20	30		FEEDHM
N#Cc1ccc(Br)cc1S(=O)(=O)[N-]CCC1CCOCC1	ZINC000416391636	559309638	/nfs/dbraw/zinc/30/96/38/559309638.db2.gz	QWBWAINJXAXUMZ-UHFFFAOYSA-N	-1	3	373.272	2.416	20	30		FEEDHM
C[C@@H](CO)CCC[N-]S(=O)(=O)c1cc(Br)ccc1C#N	ZINC000416444099	559313166	/nfs/dbraw/zinc/31/31/66/559313166.db2.gz	XHOHMANKSGVHLR-SNVBAGLBSA-N	-1	3	361.261	2.008	20	30		FEEDHM
N#Cc1ccc(Br)cc1S(=O)(=O)[N-]CC[C@@H]1CCOC1	ZINC000416460501	559314721	/nfs/dbraw/zinc/31/47/21/559314721.db2.gz	WQLXKESXFBFFTG-SNVBAGLBSA-N	-1	3	359.245	2.026	20	30		FEEDHM
CO[C@H]1CC[C@@H]([N-]S(=O)(=O)c2cc(Br)ccc2C#N)C1	ZINC000416468749	559315467	/nfs/dbraw/zinc/31/54/67/559315467.db2.gz	GWMMSJOOXKRZGI-NEPJUHHUSA-N	-1	3	359.245	2.167	20	30		FEEDHM
N#Cc1ccc(Br)cc1S(=O)(=O)[N-]CCCOC(F)F	ZINC000416480284	559316350	/nfs/dbraw/zinc/31/63/50/559316350.db2.gz	PZWHBZZQPKFUQG-UHFFFAOYSA-N	-1	3	369.187	2.228	20	30		FEEDHM
C[C@@H]1CSC[C@H]1[N-]S(=O)(=O)c1cc(Br)ccc1C#N	ZINC000416480666	559316388	/nfs/dbraw/zinc/31/63/88/559316388.db2.gz	AWSRXCWSLTWLRX-LDYMZIIASA-N	-1	3	361.286	2.351	20	30		FEEDHM
C[C@@H](CCO)CC[N-]S(=O)(=O)c1cc(Br)ccc1C#N	ZINC000416489924	559317020	/nfs/dbraw/zinc/31/70/20/559317020.db2.gz	RRPPWNHUCDBMFY-SNVBAGLBSA-N	-1	3	361.261	2.008	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)c1csnn1	ZINC000416628990	559326232	/nfs/dbraw/zinc/32/62/32/559326232.db2.gz	GOLGMDJADQTHMP-ZETCQYMHSA-N	-1	3	362.358	2.468	20	30		FEEDHM
COC(=O)c1ncccc1S(=O)(=O)[N-][C@@H]1CCCc2cc(C#N)ccc21	ZINC000416660860	559328348	/nfs/dbraw/zinc/32/83/48/559328348.db2.gz	KWYSJOHHSGIBAN-OAHLLOKOSA-N	-1	3	371.418	2.096	20	30		FEEDHM
CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(NC(=O)NC[C@@H]2CCCO2)cc1	ZINC000416938420	559339287	/nfs/dbraw/zinc/33/92/87/559339287.db2.gz	FPNXRRZTURBZNC-LSDHHAIUSA-N	-1	3	366.443	2.031	20	30		FEEDHM
C[C@H](c1cccc(C#N)c1)N(C)C(=O)C[N-]S(=O)(=O)c1cccs1	ZINC000425130606	559688229	/nfs/dbraw/zinc/68/82/29/559688229.db2.gz	NXXBAWQDOOPUTE-GFCCVEGCSA-N	-1	3	363.464	2.118	20	30		FEEDHM
C=C(C)CNC(=O)C(=O)[N-]c1sc2c(c1C(=O)OCC)CCSC2	ZINC000427039346	559746252	/nfs/dbraw/zinc/74/62/52/559746252.db2.gz	XBMGNGUTLMXAAU-UHFFFAOYSA-N	-1	3	368.480	2.345	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-]Cc1nc2ccccc2n1C1CC1	ZINC000428369831	559773997	/nfs/dbraw/zinc/77/39/97/559773997.db2.gz	LFRZTBPWGBXPGW-UHFFFAOYSA-N	-1	3	353.407	2.116	20	30		FEEDHM
Cn1c2ccccc2nc1C(C)(C)[N-]S(=O)(=O)c1cccnc1C#N	ZINC000428403467	559774899	/nfs/dbraw/zinc/77/48/99/559774899.db2.gz	OZFJVFMCFUKTDI-UHFFFAOYSA-N	-1	3	355.423	2.054	20	30		FEEDHM
Cn1cc(CC[N-]S(=O)(=O)c2cccnc2C#N)c2ccc(F)cc21	ZINC000428409091	559775042	/nfs/dbraw/zinc/77/50/42/559775042.db2.gz	UVARZKPOPCMVTL-UHFFFAOYSA-N	-1	3	358.398	2.105	20	30		FEEDHM
CCC[C@H](C)C(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1C#N	ZINC000431634562	559842914	/nfs/dbraw/zinc/84/29/14/559842914.db2.gz	HGHLEJGZBZSHHL-NSHDSACASA-N	-1	3	357.863	2.042	20	30		FEEDHM
C=C(C)CS(=O)(=O)[N-]Cc1noc(-c2cccc(Br)c2)n1	ZINC000435433660	559922871	/nfs/dbraw/zinc/92/28/71/559922871.db2.gz	OSIHMLQGFYSPAY-UHFFFAOYSA-N	-1	3	372.244	2.495	20	30		FEEDHM
CN(C)[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)s1)c1ccc(F)cc1	ZINC000435433925	559922885	/nfs/dbraw/zinc/92/28/85/559922885.db2.gz	VHVRLZVCDYQTQA-AWEZNQCLSA-N	-1	3	353.444	2.340	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]C[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)s1	ZINC000435441651	559923268	/nfs/dbraw/zinc/92/32/68/559923268.db2.gz	GVENSOYUCUXJII-BXKDBHETSA-N	-1	3	368.402	2.382	20	30		FEEDHM
O=C(NCC#Cc1cccc(F)c1)[C@@H]1CCCN1C(=O)c1ccccc1[O-]	ZINC000436659206	559948048	/nfs/dbraw/zinc/94/80/48/559948048.db2.gz	XWSNIOOJWGDDTO-SFHVURJKSA-N	-1	3	366.392	2.304	20	30		FEEDHM
N#Cc1ccc(CC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)cc1	ZINC000436908334	559956022	/nfs/dbraw/zinc/95/60/22/559956022.db2.gz	IFBSMGHAMAXHMI-UHFFFAOYSA-N	-1	3	363.417	2.227	20	30		FEEDHM
C[C@@H](COCC(F)(F)F)[N-]S(=O)(=O)c1cccc(Cl)c1C#N	ZINC000443031895	560066956	/nfs/dbraw/zinc/06/69/56/560066956.db2.gz	ZRVLFKFWVKCFGM-QMMMGPOBSA-N	-1	3	356.753	2.457	20	30		FEEDHM
C[C@@H](C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)N1CCCC[C@H]1C	ZINC000443104689	560070720	/nfs/dbraw/zinc/07/07/20/560070720.db2.gz	NYSBTDHISMEYOJ-OLZOCXBDSA-N	-1	3	366.443	2.008	20	30		FEEDHM
O=S(=O)([N-]C[C@H](O)C(F)(F)F)c1ccc(F)c(C(F)(F)F)c1	ZINC000443133477	560072030	/nfs/dbraw/zinc/07/20/30/560072030.db2.gz	NJRXYFANUQAVOJ-QMMMGPOBSA-N	-1	3	355.231	2.046	20	30		FEEDHM
CC(C)n1cc2c(n1)C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)CC2	ZINC000443510339	560085852	/nfs/dbraw/zinc/08/58/52/560085852.db2.gz	NQACINZHECPXMD-OAHLLOKOSA-N	-1	3	362.430	2.311	20	30		FEEDHM
N#Cc1ccc(N2CCN(C(=O)c3ccc4n[n-]nc4c3)CC2)c(Cl)c1	ZINC000444532792	560115197	/nfs/dbraw/zinc/11/51/97/560115197.db2.gz	WGJSZUCOBKHBIU-UHFFFAOYSA-N	-1	3	366.812	2.445	20	30		FEEDHM
N#Cc1ccc(N2CCN(C(=O)Cc3ccc([O-])c(F)c3)CC2)c(F)c1	ZINC000448858282	560203229	/nfs/dbraw/zinc/20/32/29/560203229.db2.gz	JLXUZDNKZNPJBT-UHFFFAOYSA-N	-1	3	357.360	2.433	20	30		FEEDHM
Cc1cc(C[N-]S(=O)(=O)c2ccc(CC#N)cc2Cl)nc(C)n1	ZINC000451519640	560311648	/nfs/dbraw/zinc/31/16/48/560311648.db2.gz	UCHKBABTEHUMKX-UHFFFAOYSA-N	-1	3	350.831	2.291	20	30		FEEDHM
C[C@@H](C(=O)NCCCNC(=O)c1cccc([O-])c1)c1cccc(C#N)c1	ZINC000462026102	560793191	/nfs/dbraw/zinc/79/31/91/560793191.db2.gz	DTGRANKRMFNPNL-CQSZACIVSA-N	-1	3	351.406	2.304	20	30		FEEDHM
C[C@@H]1CCC[C@H](C)N1CC[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000467154693	560905102	/nfs/dbraw/zinc/90/51/02/560905102.db2.gz	ZTTPLMLPRGHERJ-TXEJJXNPSA-N	-1	3	357.426	2.378	20	30		FEEDHM
C=CCn1c(=O)[n-]nc1SCC(=O)Nc1cccc(N2CCCC2=O)c1	ZINC000470829677	560991090	/nfs/dbraw/zinc/99/10/90/560991090.db2.gz	FCTFCRUPYPYRSB-UHFFFAOYSA-N	-1	3	373.438	2.027	20	30		FEEDHM
CN1CC[C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2F)[C@H]1c1ccccc1	ZINC000534638903	562538848	/nfs/dbraw/zinc/53/88/48/562538848.db2.gz	NLWQXAPURDPBLW-SJLPKXTDSA-N	-1	3	359.426	2.421	20	30		FEEDHM
C=CC[C@@H](CO)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F	ZINC000537020757	562584103	/nfs/dbraw/zinc/58/41/03/562584103.db2.gz	NBYJPVRIXRLGFI-SECBINFHSA-N	-1	3	368.333	2.077	20	30		FEEDHM
CC(C)CC(=O)NCCc1ccc(S(=O)(=O)[N-]CCCC#N)s1	ZINC000541309658	562608639	/nfs/dbraw/zinc/60/86/39/562608639.db2.gz	FDNYJMHVUKTBMP-UHFFFAOYSA-N	-1	3	357.501	2.035	20	30		FEEDHM
CN(c1cccc(-c2nnn[n-]2)c1)S(=O)(=O)c1cccc(Cl)c1C#N	ZINC000736843087	598867189	/nfs/dbraw/zinc/86/71/89/598867189.db2.gz	ZCDDVMYFZMFPJA-UHFFFAOYSA-N	-1	3	374.813	2.217	20	30		FEEDHM
CN(c1cccc(-c2nn[n-]n2)c1)S(=O)(=O)c1cccc(Cl)c1C#N	ZINC000736843087	598867191	/nfs/dbraw/zinc/86/71/91/598867191.db2.gz	ZCDDVMYFZMFPJA-UHFFFAOYSA-N	-1	3	374.813	2.217	20	30		FEEDHM
C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1	ZINC000736175682	598920799	/nfs/dbraw/zinc/92/07/99/598920799.db2.gz	QNYGKDQTCHWBFW-JTQLQIEISA-N	-1	3	352.329	2.283	20	30		FEEDHM
C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1	ZINC000736175682	598920801	/nfs/dbraw/zinc/92/08/01/598920801.db2.gz	QNYGKDQTCHWBFW-JTQLQIEISA-N	-1	3	352.329	2.283	20	30		FEEDHM
CCN(CC#N)C(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1	ZINC000736513338	598998735	/nfs/dbraw/zinc/99/87/35/598998735.db2.gz	YHAOWBNHJIXHPI-UHFFFAOYSA-N	-1	3	362.393	2.431	20	30		FEEDHM
CCN(CC#N)C(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1	ZINC000736513338	598998736	/nfs/dbraw/zinc/99/87/36/598998736.db2.gz	YHAOWBNHJIXHPI-UHFFFAOYSA-N	-1	3	362.393	2.431	20	30		FEEDHM
N#Cc1cnc2ccccc2c1NCCOc1ccc(-c2nn[n-]n2)cc1	ZINC000822842735	599049012	/nfs/dbraw/zinc/04/90/12/599049012.db2.gz	WGGOCNWPTMCUBH-UHFFFAOYSA-N	-1	3	357.377	2.199	20	30		FEEDHM
C=CC[C@H](NS(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C)c1ccncc1	ZINC000735409468	599083765	/nfs/dbraw/zinc/08/37/65/599083765.db2.gz	FSTRDXCLMVYGAT-HNNXBMFYSA-N	-1	3	370.438	2.166	20	30		FEEDHM
C=CC[C@H](NS(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C)c1ccncc1	ZINC000735409468	599083768	/nfs/dbraw/zinc/08/37/68/599083768.db2.gz	FSTRDXCLMVYGAT-HNNXBMFYSA-N	-1	3	370.438	2.166	20	30		FEEDHM
COC(=O)[C@H](Sc1cc(-c2nnn[n-]2)ccn1)c1ccc(C#N)cc1	ZINC000736903311	599113896	/nfs/dbraw/zinc/11/38/96/599113896.db2.gz	ZMLFPCVJSYIZOF-CQSZACIVSA-N	-1	3	352.379	2.140	20	30		FEEDHM
COC(=O)[C@H](Sc1cc(-c2nn[n-]n2)ccn1)c1ccc(C#N)cc1	ZINC000736903311	599113897	/nfs/dbraw/zinc/11/38/97/599113897.db2.gz	ZMLFPCVJSYIZOF-CQSZACIVSA-N	-1	3	352.379	2.140	20	30		FEEDHM
CCn1cc(C=CC(=O)c2cnn(-c3ccc(-c4nn[n-]n4)cc3)c2C)cn1	ZINC000736722084	599156479	/nfs/dbraw/zinc/15/64/79/599156479.db2.gz	MVWRINCKBLCPGG-WTKPLQERSA-N	-1	3	374.408	2.473	20	30		FEEDHM
C#Cc1cccc(NC(=S)NCCOc2ccc(-c3nn[n-]n3)cc2)c1	ZINC000735390688	599174326	/nfs/dbraw/zinc/17/43/26/599174326.db2.gz	CAGXZFVNKQMLAL-UHFFFAOYSA-N	-1	3	364.434	2.213	20	30		FEEDHM
Cc1noc(C)c1CSCC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1	ZINC000737535746	599199683	/nfs/dbraw/zinc/19/96/83/599199683.db2.gz	BEBPMFZTUDBEGK-UHFFFAOYSA-N	-1	3	369.410	2.215	20	30		FEEDHM
Cc1noc(C)c1CSCC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1	ZINC000737535746	599199686	/nfs/dbraw/zinc/19/96/86/599199686.db2.gz	BEBPMFZTUDBEGK-UHFFFAOYSA-N	-1	3	369.410	2.215	20	30		FEEDHM
C[C@@H](NC(=O)NCc1cc(C#N)ccc1F)c1ccc(-c2nnn[n-]2)cc1	ZINC000820367882	599262917	/nfs/dbraw/zinc/26/29/17/599262917.db2.gz	UXRVHUGVTSRQBB-LLVKDONJSA-N	-1	3	365.372	2.438	20	30		FEEDHM
C[C@@H](NC(=O)NCc1cc(C#N)ccc1F)c1ccc(-c2nn[n-]n2)cc1	ZINC000820367882	599262918	/nfs/dbraw/zinc/26/29/18/599262918.db2.gz	UXRVHUGVTSRQBB-LLVKDONJSA-N	-1	3	365.372	2.438	20	30		FEEDHM
C#CCOc1ccc(F)cc1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1	ZINC000819709314	599285422	/nfs/dbraw/zinc/28/54/22/599285422.db2.gz	BZUOSVKIVSFMFM-UHFFFAOYSA-N	-1	3	366.356	2.340	20	30		FEEDHM
C#CCOc1ccc(F)cc1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1	ZINC000819709314	599285424	/nfs/dbraw/zinc/28/54/24/599285424.db2.gz	BZUOSVKIVSFMFM-UHFFFAOYSA-N	-1	3	366.356	2.340	20	30		FEEDHM
C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCC#Cc1ccc(F)cc1	ZINC000820524894	607349973	/nfs/dbraw/zinc/34/99/73/607349973.db2.gz	BYIJVGALPAXBFX-ZDUSSCGKSA-N	-1	3	366.352	2.368	20	30		FEEDHM
C#CCOc1cccc(NC(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)c1	ZINC000735381233	598494460	/nfs/dbraw/zinc/49/44/60/598494460.db2.gz	RODPPRWWKIOILU-ZDUSSCGKSA-N	-1	3	363.377	2.285	20	30		FEEDHM
C#CCOc1cccc(NC(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)c1	ZINC000735381233	598494461	/nfs/dbraw/zinc/49/44/61/598494461.db2.gz	RODPPRWWKIOILU-ZDUSSCGKSA-N	-1	3	363.377	2.285	20	30		FEEDHM
N#Cc1cn(CCOc2ccc(-c3nn[n-]n3)cc2)c2ccccc2c1=O	ZINC000737729037	598502682	/nfs/dbraw/zinc/50/26/82/598502682.db2.gz	ZCGBKMIHLAWTIQ-UHFFFAOYSA-N	-1	3	358.361	2.132	20	30		FEEDHM
N#CCOc1ccc(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1	ZINC000737698287	598521260	/nfs/dbraw/zinc/52/12/60/598521260.db2.gz	VUXBTDJKKPVRMX-UHFFFAOYSA-N	-1	3	351.326	2.289	20	30		FEEDHM
N#CCOc1ccc(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1	ZINC000737698287	598521262	/nfs/dbraw/zinc/52/12/62/598521262.db2.gz	VUXBTDJKKPVRMX-UHFFFAOYSA-N	-1	3	351.326	2.289	20	30		FEEDHM
N#C[C@@H](NC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1)C1CC1	ZINC000737675773	598536995	/nfs/dbraw/zinc/53/69/95/598536995.db2.gz	RVCWOMKMICWOCB-OAHLLOKOSA-N	-1	3	364.365	2.071	20	30		FEEDHM
N#Cc1ccc(-c2ccn(CC(=O)Nc3cccc(-c4nnn[n-]4)c3)n2)cc1	ZINC000737710914	598567725	/nfs/dbraw/zinc/56/77/25/598567725.db2.gz	WXLZLMFBNCAHBC-UHFFFAOYSA-N	-1	3	370.376	2.241	20	30		FEEDHM
N#Cc1ccc(-c2ccn(CC(=O)Nc3cccc(-c4nn[n-]n4)c3)n2)cc1	ZINC000737710914	598567726	/nfs/dbraw/zinc/56/77/26/598567726.db2.gz	WXLZLMFBNCAHBC-UHFFFAOYSA-N	-1	3	370.376	2.241	20	30		FEEDHM
N#C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1cccc(C(F)(F)F)c1	ZINC000737674208	598591387	/nfs/dbraw/zinc/59/13/87/598591387.db2.gz	GXECPOITLHGZIE-ZDUSSCGKSA-N	-1	3	373.298	2.275	20	30		FEEDHM
N#C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)c1cccc(C(F)(F)F)c1	ZINC000737674208	598591389	/nfs/dbraw/zinc/59/13/89/598591389.db2.gz	GXECPOITLHGZIE-ZDUSSCGKSA-N	-1	3	373.298	2.275	20	30		FEEDHM
CN(C(=O)CSc1ccc(C#N)cc1)c1cccc(-c2nnn[n-]2)c1	ZINC000736739006	598657022	/nfs/dbraw/zinc/65/70/22/598657022.db2.gz	GUWMMARYKREDGI-UHFFFAOYSA-N	-1	3	350.407	2.493	20	30		FEEDHM
CN(C(=O)CSc1ccc(C#N)cc1)c1cccc(-c2nn[n-]n2)c1	ZINC000736739006	598657024	/nfs/dbraw/zinc/65/70/24/598657024.db2.gz	GUWMMARYKREDGI-UHFFFAOYSA-N	-1	3	350.407	2.493	20	30		FEEDHM
N#CCOc1ccc(CC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1	ZINC000737697294	598657921	/nfs/dbraw/zinc/65/79/21/598657921.db2.gz	ZZKFWHHJGVPQCX-UHFFFAOYSA-N	-1	3	352.329	2.089	20	30		FEEDHM
N#CCOc1ccc(CC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1	ZINC000737697294	598657923	/nfs/dbraw/zinc/65/79/23/598657923.db2.gz	ZZKFWHHJGVPQCX-UHFFFAOYSA-N	-1	3	352.329	2.089	20	30		FEEDHM
C[C@@H](C#N)CN(C)C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1	ZINC000735502450	598684043	/nfs/dbraw/zinc/68/40/43/598684043.db2.gz	DRFGDWCQGXTMKB-LBPRGKRZSA-N	-1	3	363.381	2.286	20	30		FEEDHM
C[C@@H](C#N)CN(C)C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1	ZINC000735502450	598684045	/nfs/dbraw/zinc/68/40/45/598684045.db2.gz	DRFGDWCQGXTMKB-LBPRGKRZSA-N	-1	3	363.381	2.286	20	30		FEEDHM
COC(=O)[C@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc(-c2nnn[n-]2)cc1	ZINC000821640615	599391688	/nfs/dbraw/zinc/39/16/88/599391688.db2.gz	LNSCYHUXXSFOPQ-YVEFUNNKSA-N	-1	3	362.393	2.303	20	30		FEEDHM
COC(=O)[C@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc(-c2nn[n-]n2)cc1	ZINC000821640615	599391690	/nfs/dbraw/zinc/39/16/90/599391690.db2.gz	LNSCYHUXXSFOPQ-YVEFUNNKSA-N	-1	3	362.393	2.303	20	30		FEEDHM
N#Cc1cc(F)c(C(=O)OCC(=O)c2cccc(-c3nnn[n-]3)c2)c(F)c1	ZINC000826384047	607379737	/nfs/dbraw/zinc/37/97/37/607379737.db2.gz	DLNAODOSVWZNGR-UHFFFAOYSA-N	-1	3	369.287	2.056	20	30		FEEDHM
N#Cc1cc(F)c(C(=O)OCC(=O)c2cccc(-c3nn[n-]n3)c2)c(F)c1	ZINC000826384047	607379739	/nfs/dbraw/zinc/37/97/39/607379739.db2.gz	DLNAODOSVWZNGR-UHFFFAOYSA-N	-1	3	369.287	2.056	20	30		FEEDHM
Cc1cccc2c1OCC(=Cc1cnc3ccc(-c4nnn[n-]4)cn13)C2=O	ZINC000737410542	599463796	/nfs/dbraw/zinc/46/37/96/599463796.db2.gz	UMVYZWWWLHNLFU-NTUHNPAUSA-N	-1	3	358.361	2.482	20	30		FEEDHM
Cc1cccc2c1OCC(=Cc1cnc3ccc(-c4nn[n-]n4)cn13)C2=O	ZINC000737410542	599463799	/nfs/dbraw/zinc/46/37/99/599463799.db2.gz	UMVYZWWWLHNLFU-NTUHNPAUSA-N	-1	3	358.361	2.482	20	30		FEEDHM
C=CCCCN(C)C(=O)CCCOc1ccc(-c2nnn[n-]2)cc1OC	ZINC000735408922	599466835	/nfs/dbraw/zinc/46/68/35/599466835.db2.gz	VEKVEEJZAJNAON-UHFFFAOYSA-N	-1	3	359.430	2.459	20	30		FEEDHM
C=CCCCN(C)C(=O)CCCOc1ccc(-c2nn[n-]n2)cc1OC	ZINC000735408922	599466836	/nfs/dbraw/zinc/46/68/36/599466836.db2.gz	VEKVEEJZAJNAON-UHFFFAOYSA-N	-1	3	359.430	2.459	20	30		FEEDHM
N#Cc1cccc(CNC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)c1	ZINC000826386504	607448636	/nfs/dbraw/zinc/44/86/36/607448636.db2.gz	HUPMNZBXPGCWTP-UHFFFAOYSA-N	-1	3	359.393	2.227	20	30		FEEDHM
N#Cc1cccc(CNC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)c1	ZINC000826386504	607448638	/nfs/dbraw/zinc/44/86/38/607448638.db2.gz	HUPMNZBXPGCWTP-UHFFFAOYSA-N	-1	3	359.393	2.227	20	30		FEEDHM
C=CCN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1	ZINC000823919948	607574966	/nfs/dbraw/zinc/57/49/66/607574966.db2.gz	UAPOKDYQRGLLHL-UHFFFAOYSA-N	-1	3	359.386	2.387	20	30		FEEDHM
C#CCN(C1CCCC1)S(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1	ZINC000823846092	607668219	/nfs/dbraw/zinc/66/82/19/607668219.db2.gz	YSZJGJGVBQGJIL-UHFFFAOYSA-N	-1	3	365.846	2.087	20	30		FEEDHM
COc1ccc(NC(=O)C(C#N)C(=O)[C@@H]2CCC[C@H](NC(=O)[O-])C2)cc1	ZINC000829442240	604221886	/nfs/dbraw/zinc/22/18/86/604221886.db2.gz	LDTODJZMHHICAX-OSAQELSMSA-N	-1	3	359.382	2.169	20	30		FEEDHM
COc1ccc(NC(=O)C(C#N)C(=O)[C@@H]2CCC[C@@H](NC(=O)[O-])C2)cc1	ZINC000829442242	604222172	/nfs/dbraw/zinc/22/21/72/604222172.db2.gz	LDTODJZMHHICAX-UXIGCNINSA-N	-1	3	359.382	2.169	20	30		FEEDHM
C[C@H](C(=O)[O-])[C@H](NCCS(=O)(=O)c1cccc(C#N)c1)c1ccccc1	ZINC000833408867	604481522	/nfs/dbraw/zinc/48/15/22/604481522.db2.gz	XPXHCCRGYITQED-KSSFIOAISA-N	-1	3	372.446	2.384	20	30		FEEDHM
COc1ccc2c(c1)C(=O)C(=Cc1cnc3ccc(-c4nnn[n-]4)cn13)C2	ZINC000821849982	606154293	/nfs/dbraw/zinc/15/42/93/606154293.db2.gz	UOMPLFFLLNXSDX-QPEQYQDCSA-N	-1	3	358.361	2.345	20	30		FEEDHM
COc1ccc2c(c1)C(=O)C(=Cc1cnc3ccc(-c4nn[n-]n4)cn13)C2	ZINC000821849982	606154295	/nfs/dbraw/zinc/15/42/95/606154295.db2.gz	UOMPLFFLLNXSDX-QPEQYQDCSA-N	-1	3	358.361	2.345	20	30		FEEDHM
C=CCCCCCN(C)CCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1	ZINC000819740224	606188882	/nfs/dbraw/zinc/18/88/82/606188882.db2.gz	UZHXPEVNVFFLOG-UHFFFAOYSA-N	-1	3	363.487	2.319	20	30		FEEDHM
C=CCCCCCN(C)CCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1	ZINC000819740224	606188884	/nfs/dbraw/zinc/18/88/84/606188884.db2.gz	UZHXPEVNVFFLOG-UHFFFAOYSA-N	-1	3	363.487	2.319	20	30		FEEDHM
O=C(OCC#Cc1ccc(C(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)cn1	ZINC000823396070	606192094	/nfs/dbraw/zinc/19/20/94/606192094.db2.gz	DVZHUKFKCNJAQH-UHFFFAOYSA-N	-1	3	373.294	2.489	20	30		FEEDHM
O=C(OCC#Cc1ccc(C(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)cn1	ZINC000823396070	606192096	/nfs/dbraw/zinc/19/20/96/606192096.db2.gz	DVZHUKFKCNJAQH-UHFFFAOYSA-N	-1	3	373.294	2.489	20	30		FEEDHM
N#C[C@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1cccc(C(F)(F)F)c1	ZINC000822801704	606322678	/nfs/dbraw/zinc/32/26/78/606322678.db2.gz	MURWTBLSMUJXQF-LBPRGKRZSA-N	-1	3	361.287	2.208	20	30		FEEDHM
N#C[C@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1cccc(C(F)(F)F)c1	ZINC000822801704	606322680	/nfs/dbraw/zinc/32/26/80/606322680.db2.gz	MURWTBLSMUJXQF-LBPRGKRZSA-N	-1	3	361.287	2.208	20	30		FEEDHM
S=C1N=NC(c2cccs2)N1N=Cc1ccc(-c2nnn[n-]2)s1	ZINC000823737939	606369872	/nfs/dbraw/zinc/36/98/72/606369872.db2.gz	LWUHFWWBDSYMGO-UHFFFAOYSA-N	-1	3	360.453	2.419	20	30		FEEDHM
COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)N[C@H](C#N)C(C)(C)C	ZINC000821701382	606433949	/nfs/dbraw/zinc/43/39/49/606433949.db2.gz	MMNBHJFPXYPNPJ-OAHLLOKOSA-N	-1	3	372.429	2.089	20	30		FEEDHM
COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)N[C@H](C#N)C(C)(C)C	ZINC000821701382	606433951	/nfs/dbraw/zinc/43/39/51/606433951.db2.gz	MMNBHJFPXYPNPJ-OAHLLOKOSA-N	-1	3	372.429	2.089	20	30		FEEDHM
N#CCOc1cc(F)ccc1NC(=O)Cc1ccc(-c2nnn[n-]2)cc1	ZINC000822810332	606746364	/nfs/dbraw/zinc/74/63/64/606746364.db2.gz	FLRQAFNVXXOHNU-UHFFFAOYSA-N	-1	3	352.329	2.089	20	30		FEEDHM
N#CCOc1cc(F)ccc1NC(=O)Cc1ccc(-c2nn[n-]n2)cc1	ZINC000822810332	606746366	/nfs/dbraw/zinc/74/63/66/606746366.db2.gz	FLRQAFNVXXOHNU-UHFFFAOYSA-N	-1	3	352.329	2.089	20	30		FEEDHM
C=C(C)COCCNC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1	ZINC000819722249	606776790	/nfs/dbraw/zinc/77/67/90/606776790.db2.gz	FHXDUGFYFGVKLC-UHFFFAOYSA-N	-1	3	352.851	2.399	20	30		FEEDHM
C=C(C)COCCNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1	ZINC000819722249	606776792	/nfs/dbraw/zinc/77/67/92/606776792.db2.gz	FHXDUGFYFGVKLC-UHFFFAOYSA-N	-1	3	352.851	2.399	20	30		FEEDHM
N#CC1(NC(=O)COc2cc(Cl)ccc2-c2nnn[n-]2)CCCCC1	ZINC000822802197	606785746	/nfs/dbraw/zinc/78/57/46/606785746.db2.gz	WQWQFCLQYXPJBI-UHFFFAOYSA-N	-1	3	360.805	2.242	20	30		FEEDHM
N#CC1(NC(=O)COc2cc(Cl)ccc2-c2nn[n-]n2)CCCCC1	ZINC000822802197	606785747	/nfs/dbraw/zinc/78/57/47/606785747.db2.gz	WQWQFCLQYXPJBI-UHFFFAOYSA-N	-1	3	360.805	2.242	20	30		FEEDHM
C#CCN(C1CCCC1)S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1	ZINC000799790941	606847405	/nfs/dbraw/zinc/84/74/05/606847405.db2.gz	QFONLCARGWJPLV-UHFFFAOYSA-N	-1	3	365.846	2.087	20	30		FEEDHM
C#CCN(C1CCCC1)S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1	ZINC000799790941	606847406	/nfs/dbraw/zinc/84/74/06/606847406.db2.gz	QFONLCARGWJPLV-UHFFFAOYSA-N	-1	3	365.846	2.087	20	30		FEEDHM
N#Cc1ccc(NC(=O)COC/C=C\c2ccccc2)cc1-c1nnn[n-]1	ZINC000822829617	606957698	/nfs/dbraw/zinc/95/76/98/606957698.db2.gz	AIUFVHDDEAHZQP-DAXSKMNVSA-N	-1	3	360.377	2.407	20	30		FEEDHM
N#Cc1ccc(NC(=O)COC/C=C\c2ccccc2)cc1-c1nn[n-]n1	ZINC000822829617	606957701	/nfs/dbraw/zinc/95/77/01/606957701.db2.gz	AIUFVHDDEAHZQP-DAXSKMNVSA-N	-1	3	360.377	2.407	20	30		FEEDHM
N#Cc1cc(NC(=O)COC/C=C/c2ccccc2)ccc1-c1nnn[n-]1	ZINC000822823440	606958026	/nfs/dbraw/zinc/95/80/26/606958026.db2.gz	QCTYGPJLNYBZGP-QPJJXVBHSA-N	-1	3	360.377	2.407	20	30		FEEDHM
N#Cc1cc(NC(=O)COC/C=C/c2ccccc2)ccc1-c1nn[n-]n1	ZINC000822823440	606958027	/nfs/dbraw/zinc/95/80/27/606958027.db2.gz	QCTYGPJLNYBZGP-QPJJXVBHSA-N	-1	3	360.377	2.407	20	30		FEEDHM
N#Cc1ccc(CNC(=O)CNc2ccc(-c3nn[n-]n3)cc2Cl)cc1	ZINC000822825506	607126614	/nfs/dbraw/zinc/12/66/14/607126614.db2.gz	IGWWGRMWEKSWIA-UHFFFAOYSA-N	-1	3	367.800	2.120	20	30		FEEDHM
N#Cc1cc(NC(=O)Cc2cc(F)c(F)cc2F)ccc1-c1nnn[n-]1	ZINC000822823451	607238623	/nfs/dbraw/zinc/23/86/23/607238623.db2.gz	QVIRHKRKEYCZGX-UHFFFAOYSA-N	-1	3	358.283	2.337	20	30		FEEDHM
N#Cc1cc(NC(=O)Cc2cc(F)c(F)cc2F)ccc1-c1nn[n-]n1	ZINC000822823451	607238624	/nfs/dbraw/zinc/23/86/24/607238624.db2.gz	QVIRHKRKEYCZGX-UHFFFAOYSA-N	-1	3	358.283	2.337	20	30		FEEDHM
CN(C(=O)CSc1ccc(C#N)cc1)c1ccccc1-c1nnn[n-]1	ZINC000825821029	607790770	/nfs/dbraw/zinc/79/07/70/607790770.db2.gz	ZSWKZRJIHQTQSJ-UHFFFAOYSA-N	-1	3	350.407	2.493	20	30		FEEDHM
CN(C(=O)CSc1ccc(C#N)cc1)c1ccccc1-c1nn[n-]n1	ZINC000825821029	607790771	/nfs/dbraw/zinc/79/07/71/607790771.db2.gz	ZSWKZRJIHQTQSJ-UHFFFAOYSA-N	-1	3	350.407	2.493	20	30		FEEDHM
CN(C(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1ccccc1C#N	ZINC000825820501	607790941	/nfs/dbraw/zinc/79/09/41/607790941.db2.gz	IBJSTNZJAMDPNX-UHFFFAOYSA-N	-1	3	350.407	2.493	20	30		FEEDHM
CN(C(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1ccccc1C#N	ZINC000825820501	607790942	/nfs/dbraw/zinc/79/09/42/607790942.db2.gz	IBJSTNZJAMDPNX-UHFFFAOYSA-N	-1	3	350.407	2.493	20	30		FEEDHM
Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CN(C[C@H](C)C#N)C1CC1	ZINC000826335058	607817952	/nfs/dbraw/zinc/81/79/52/607817952.db2.gz	WMMJBKHFWGXUBF-GFCCVEGCSA-N	-1	3	363.429	2.015	20	30		FEEDHM
Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CN(C[C@H](C)C#N)C1CC1	ZINC000826335058	607817953	/nfs/dbraw/zinc/81/79/53/607817953.db2.gz	WMMJBKHFWGXUBF-GFCCVEGCSA-N	-1	3	363.429	2.015	20	30		FEEDHM
CCOC(=O)[C@H]1CCC(=NNCc2ccc(-c3nnn[n-]3)cc2)C[C@H]1C	ZINC000825499312	607964923	/nfs/dbraw/zinc/96/49/23/607964923.db2.gz	KEFFKJHWGLXKCO-WBMJQRKESA-N	-1	3	356.430	2.312	20	30		FEEDHM
CCOC(=O)[C@H]1CCC(=NNCc2ccc(-c3nn[n-]n3)cc2)C[C@H]1C	ZINC000825499312	607964924	/nfs/dbraw/zinc/96/49/24/607964924.db2.gz	KEFFKJHWGLXKCO-WBMJQRKESA-N	-1	3	356.430	2.312	20	30		FEEDHM
Cc1oc(NC(=O)[C@H](C)N2CCC[C@](C)(C#N)C2)c(-c2nnn[n-]2)c1C	ZINC000826341667	608126084	/nfs/dbraw/zinc/12/60/84/608126084.db2.gz	NDVWGFQBDOPPQN-APPDUMDISA-N	-1	3	357.418	2.029	20	30		FEEDHM
C=CCN(Cc1nnc(C)n1CCC)Cc1cccc(-c2nnn[n-]2)c1	ZINC000823914930	608153886	/nfs/dbraw/zinc/15/38/86/608153886.db2.gz	PBWJPWNFDDBSME-UHFFFAOYSA-N	-1	3	352.446	2.365	20	30		FEEDHM
C=CCN(Cc1nnc(C)n1CCC)Cc1cccc(-c2nn[n-]n2)c1	ZINC000823914930	608153888	/nfs/dbraw/zinc/15/38/88/608153888.db2.gz	PBWJPWNFDDBSME-UHFFFAOYSA-N	-1	3	352.446	2.365	20	30		FEEDHM
CCN(C[C@@H](C)C#N)[C@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2	ZINC000825399265	608154452	/nfs/dbraw/zinc/15/44/52/608154452.db2.gz	NUNBHRCHUMORBH-WDEREUQCSA-N	-1	3	373.486	2.225	20	30		FEEDHM
CCN(C[C@@H](C)C#N)[C@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2	ZINC000825399265	608154453	/nfs/dbraw/zinc/15/44/53/608154453.db2.gz	NUNBHRCHUMORBH-WDEREUQCSA-N	-1	3	373.486	2.225	20	30		FEEDHM
C=CCCO[C@H](C)C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl	ZINC000823899407	608162533	/nfs/dbraw/zinc/16/25/33/608162533.db2.gz	VOLZWSCXCIRHSF-MRVPVSSYSA-N	-1	3	366.765	2.348	20	30		FEEDHM
C=CCCO[C@H](C)C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl	ZINC000823899407	608162535	/nfs/dbraw/zinc/16/25/35/608162535.db2.gz	VOLZWSCXCIRHSF-MRVPVSSYSA-N	-1	3	366.765	2.348	20	30		FEEDHM
COCc1cnc(C=CC(=O)c2c(C)n3c(c2-c2nnn[n-]2)CCC3)s1	ZINC000826165239	608213193	/nfs/dbraw/zinc/21/31/93/608213193.db2.gz	LPSQGENONOOXHL-WAYWQWQTSA-N	-1	3	370.438	2.422	20	30		FEEDHM
COCc1cnc(C=CC(=O)c2c(C)n3c(c2-c2nn[n-]n2)CCC3)s1	ZINC000826165239	608213195	/nfs/dbraw/zinc/21/31/95/608213195.db2.gz	LPSQGENONOOXHL-WAYWQWQTSA-N	-1	3	370.438	2.422	20	30		FEEDHM
COCCn1nc(C)c(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)c1C	ZINC000826163829	608229268	/nfs/dbraw/zinc/22/92/68/608229268.db2.gz	NDRPRXKTTSECQM-SREVYHEPSA-N	-1	3	370.388	2.362	20	30		FEEDHM
COCCn1nc(C)c(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)c1C	ZINC000826163829	608229269	/nfs/dbraw/zinc/22/92/69/608229269.db2.gz	NDRPRXKTTSECQM-SREVYHEPSA-N	-1	3	370.388	2.362	20	30		FEEDHM
COc1cc(C#N)ccc1CSc1nc(C)nc(C)c1-c1nnn[n-]1	ZINC000826176752	608262900	/nfs/dbraw/zinc/26/29/00/608262900.db2.gz	BVNGCVKSIPAXNI-UHFFFAOYSA-N	-1	3	353.411	2.446	20	30		FEEDHM
COc1cc(C#N)ccc1CSc1nc(C)nc(C)c1-c1nn[n-]n1	ZINC000826176752	608262902	/nfs/dbraw/zinc/26/29/02/608262902.db2.gz	BVNGCVKSIPAXNI-UHFFFAOYSA-N	-1	3	353.411	2.446	20	30		FEEDHM
COc1cc(-c2nnn[n-]2)ccc1CON=C1CCN(C(=O)C(C)C)CC1	ZINC000826173276	608324411	/nfs/dbraw/zinc/32/44/11/608324411.db2.gz	WCILEWDMIVYSAR-UHFFFAOYSA-N	-1	3	372.429	2.026	20	30		FEEDHM
COc1cc(-c2nn[n-]n2)ccc1CON=C1CCN(C(=O)C(C)C)CC1	ZINC000826173276	608324413	/nfs/dbraw/zinc/32/44/13/608324413.db2.gz	WCILEWDMIVYSAR-UHFFFAOYSA-N	-1	3	372.429	2.026	20	30		FEEDHM
CON=Cc1ccc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2OC)cc1	ZINC000826166324	608343838	/nfs/dbraw/zinc/34/38/38/608343838.db2.gz	FXVHBAWALGMOHI-UHFFFAOYSA-N	-1	3	367.365	2.213	20	30		FEEDHM
CON=Cc1ccc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2OC)cc1	ZINC000826166324	608343840	/nfs/dbraw/zinc/34/38/40/608343840.db2.gz	FXVHBAWALGMOHI-UHFFFAOYSA-N	-1	3	367.365	2.213	20	30		FEEDHM
C=CCNc1nc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2OC)cs1	ZINC000823926051	608347017	/nfs/dbraw/zinc/34/70/17/608347017.db2.gz	XKJLSXROZKRGOD-UHFFFAOYSA-N	-1	3	372.410	2.287	20	30		FEEDHM
C=CCNc1nc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2OC)cs1	ZINC000823926051	608347018	/nfs/dbraw/zinc/34/70/18/608347018.db2.gz	XKJLSXROZKRGOD-UHFFFAOYSA-N	-1	3	372.410	2.287	20	30		FEEDHM
Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1Cc1cccc(C#N)c1F	ZINC000826335514	608397804	/nfs/dbraw/zinc/39/78/04/608397804.db2.gz	PWXHPRPDVRKPIJ-UHFFFAOYSA-N	-1	3	360.356	2.493	20	30		FEEDHM
Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1Cc1cccc(C#N)c1F	ZINC000826335514	608397805	/nfs/dbraw/zinc/39/78/05/608397805.db2.gz	PWXHPRPDVRKPIJ-UHFFFAOYSA-N	-1	3	360.356	2.493	20	30		FEEDHM
Cn1cc(-c2nnn[n-]2)cc1C(=O)N1CC=C(c2ccc(C#N)cc2)CC1	ZINC000826357507	608480571	/nfs/dbraw/zinc/48/05/71/608480571.db2.gz	HZJLGVCJTDLCFQ-UHFFFAOYSA-N	-1	3	359.393	2.006	20	30		FEEDHM
Cn1cc(-c2nn[n-]n2)cc1C(=O)N1CC=C(c2ccc(C#N)cc2)CC1	ZINC000826357507	608480572	/nfs/dbraw/zinc/48/05/72/608480572.db2.gz	HZJLGVCJTDLCFQ-UHFFFAOYSA-N	-1	3	359.393	2.006	20	30		FEEDHM
C=CC[C@@H](CO)CNC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1	ZINC000823888230	608489319	/nfs/dbraw/zinc/48/93/19/608489319.db2.gz	HXNFTASBSYVPTF-SECBINFHSA-N	-1	3	370.335	2.192	20	30		FEEDHM
C=CC[C@@H](CO)CNC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1	ZINC000823888230	608489321	/nfs/dbraw/zinc/48/93/21/608489321.db2.gz	HXNFTASBSYVPTF-SECBINFHSA-N	-1	3	370.335	2.192	20	30		FEEDHM
O=C1c2cc3c(cc2OCC1=Cc1ccc(F)c(-c2nnn[n-]2)c1)OCO3	ZINC000826475607	608881098	/nfs/dbraw/zinc/88/10/98/608881098.db2.gz	LDEMBTQPMHYSDL-KMKOMSMNSA-N	-1	3	366.308	2.393	20	30		FEEDHM
O=C1c2cc3c(cc2OCC1=Cc1ccc(F)c(-c2nn[n-]n2)c1)OCO3	ZINC000826475607	608881101	/nfs/dbraw/zinc/88/11/01/608881101.db2.gz	LDEMBTQPMHYSDL-KMKOMSMNSA-N	-1	3	366.308	2.393	20	30		FEEDHM
C=CCOc1cccc(NC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)c1	ZINC000823932005	609210332	/nfs/dbraw/zinc/21/03/32/609210332.db2.gz	KGCKJIQKVCWCRL-MRXNPFEDSA-N	-1	3	351.366	2.104	20	30		FEEDHM
C=CCOc1cccc(NC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)c1	ZINC000823932005	609210333	/nfs/dbraw/zinc/21/03/33/609210333.db2.gz	KGCKJIQKVCWCRL-MRXNPFEDSA-N	-1	3	351.366	2.104	20	30		FEEDHM
CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H]1CCC[C@H]1C#N	ZINC000824319092	609263259	/nfs/dbraw/zinc/26/32/59/609263259.db2.gz	FJAMURDUSBJZIZ-STQMWFEESA-N	-1	3	355.402	2.468	20	30		FEEDHM
CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H]1CCC[C@H]1C#N	ZINC000824319092	609263261	/nfs/dbraw/zinc/26/32/61/609263261.db2.gz	FJAMURDUSBJZIZ-STQMWFEESA-N	-1	3	355.402	2.468	20	30		FEEDHM
Cc1nnc(SCCOc2ccccc2C#N)c(-c2nnn[n-]2)c1C	ZINC000826336749	609306823	/nfs/dbraw/zinc/30/68/23/609306823.db2.gz	MACDYENRJJOABL-UHFFFAOYSA-N	-1	3	353.411	2.316	20	30		FEEDHM
Cc1nnc(SCCOc2ccccc2C#N)c(-c2nn[n-]n2)c1C	ZINC000826336749	609306825	/nfs/dbraw/zinc/30/68/25/609306825.db2.gz	MACDYENRJJOABL-UHFFFAOYSA-N	-1	3	353.411	2.316	20	30		FEEDHM
CC[C@H](C)n1nc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1C	ZINC000825083113	609321657	/nfs/dbraw/zinc/32/16/57/609321657.db2.gz	XNNFOBAOPOPEFY-JTQLQIEISA-N	-1	3	350.386	2.467	20	30		FEEDHM
CC[C@H](C)n1nc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1C	ZINC000825083113	609321659	/nfs/dbraw/zinc/32/16/59/609321659.db2.gz	XNNFOBAOPOPEFY-JTQLQIEISA-N	-1	3	350.386	2.467	20	30		FEEDHM
C=C(C)CN(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1	ZINC000823878345	609328400	/nfs/dbraw/zinc/32/84/00/609328400.db2.gz	VWINKOOUMWCKJI-UHFFFAOYSA-N	-1	3	361.349	2.082	20	30		FEEDHM
N#CCC1CCN(Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)CC1	ZINC000826380474	609429132	/nfs/dbraw/zinc/42/91/32/609429132.db2.gz	BVBXNBIBJBWXOY-UHFFFAOYSA-N	-1	3	350.386	2.042	20	30		FEEDHM
N#C[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccc(Cl)c(Cl)c1	ZINC000826380371	609459697	/nfs/dbraw/zinc/45/96/97/609459697.db2.gz	YDGMHMKEUWDSQZ-GFCCVEGCSA-N	-1	3	362.180	2.496	20	30		FEEDHM
N#C[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccc(Cl)c(Cl)c1	ZINC000826380371	609459699	/nfs/dbraw/zinc/45/96/99/609459699.db2.gz	YDGMHMKEUWDSQZ-GFCCVEGCSA-N	-1	3	362.180	2.496	20	30		FEEDHM
Cc1cc(C(=O)Nc2ccccc2C#N)nn1-c1cccc(-c2nnn[n-]2)c1	ZINC000826260379	609507112	/nfs/dbraw/zinc/50/71/12/609507112.db2.gz	LFHVYHCBZAKUOB-UHFFFAOYSA-N	-1	3	370.376	2.485	20	30		FEEDHM
Cc1cc(C(=O)Nc2ccccc2C#N)nn1-c1cccc(-c2nn[n-]n2)c1	ZINC000826260379	609507114	/nfs/dbraw/zinc/50/71/14/609507114.db2.gz	LFHVYHCBZAKUOB-UHFFFAOYSA-N	-1	3	370.376	2.485	20	30		FEEDHM
C=CCCCN(C)C(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1	ZINC000823894119	609583375	/nfs/dbraw/zinc/58/33/75/609583375.db2.gz	HZNXNGVHYOTRQK-UHFFFAOYSA-N	-1	3	351.414	2.399	20	30		FEEDHM
C=CCCCN(C)C(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1	ZINC000823894119	609583376	/nfs/dbraw/zinc/58/33/76/609583376.db2.gz	HZNXNGVHYOTRQK-UHFFFAOYSA-N	-1	3	351.414	2.399	20	30		FEEDHM
Cc1cc(C(=O)OCCCCC#N)nn1-c1cccc(-c2nnn[n-]2)c1	ZINC000826261815	609627340	/nfs/dbraw/zinc/62/73/40/609627340.db2.gz	TWNHRHDDTNGOLO-UHFFFAOYSA-N	-1	3	351.370	2.212	20	30		FEEDHM
Cc1cc(C(=O)OCCCCC#N)nn1-c1cccc(-c2nn[n-]n2)c1	ZINC000826261815	609627341	/nfs/dbraw/zinc/62/73/41/609627341.db2.gz	TWNHRHDDTNGOLO-UHFFFAOYSA-N	-1	3	351.370	2.212	20	30		FEEDHM
Cc1cc(SCC(=O)N[C@H]2CCN([O-])C2=O)c(C)cc1Br	ZINC000816689921	675073262	/nfs/dbraw/zinc/07/32/62/675073262.db2.gz	BJPSARXWVCCWSA-NSHDSACASA-N	-1	3	373.272	2.264	20	30		FEEDHM
Cc1cc(C(=O)N[C@H]2CCN([O-])C2=O)c2ccc(Br)cc2n1	ZINC000816697070	675073803	/nfs/dbraw/zinc/07/38/03/675073803.db2.gz	QAKHTXCYRRHFKR-LBPRGKRZSA-N	-1	3	364.199	2.026	20	30		FEEDHM
CCN(C[C@@H](C)C#N)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1	ZINC000058384097	670377858	/nfs/dbraw/zinc/37/78/58/670377858.db2.gz	QNNVJGRWNWIUAM-LBPRGKRZSA-N	-1	3	355.435	2.134	20	30		FEEDHM
COC[C@H]([N-]S(=O)(=O)c1cccnc1C#N)c1cccc(Cl)c1	ZINC000566032236	675168569	/nfs/dbraw/zinc/16/85/69/675168569.db2.gz	ZFYMXLGHSIQJQN-AWEZNQCLSA-N	-1	3	351.815	2.273	20	30		FEEDHM
Cc1sc([N-]C(=O)c2cc3c(s2)n(C)c(=O)n(C)c3=O)c(C#N)c1C	ZINC000573569518	671138145	/nfs/dbraw/zinc/13/81/45/671138145.db2.gz	GGBXDWZNRCSBBU-UHFFFAOYSA-N	-1	3	374.447	2.101	20	30		FEEDHM
Cc1csc([N-]C(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)c1C#N	ZINC000579880034	671767432	/nfs/dbraw/zinc/76/74/32/671767432.db2.gz	DQMYPZHLPSMZCR-UHFFFAOYSA-N	-1	3	365.392	2.492	20	30		FEEDHM
C#CCCCNC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl	ZINC000172926574	672346042	/nfs/dbraw/zinc/34/60/42/672346042.db2.gz	CSLJSGWOBMMOQA-UHFFFAOYSA-N	-1	3	363.266	2.191	20	30		FEEDHM
CCC[C@H]([N-]S(=O)(=O)Cc1ccc(C#N)cc1)C(=O)OC(C)(C)C	ZINC000588898369	672490099	/nfs/dbraw/zinc/49/00/99/672490099.db2.gz	YHPWDYPFBXOOOE-HNNXBMFYSA-N	-1	3	352.456	2.488	20	30		FEEDHM
N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CC[C@@](O)(C(F)(F)F)C2)c1	ZINC000589923771	672547878	/nfs/dbraw/zinc/54/78/78/672547878.db2.gz	VLUFNHRFROISCU-CABZTGNLSA-N	-1	3	368.764	2.336	20	30		FEEDHM
N#Cc1ccc(OC2CCC([N-]S(=O)(=O)c3cscn3)CC2)nc1	ZINC000592044613	672741070	/nfs/dbraw/zinc/74/10/70/672741070.db2.gz	GWGDSYSCQGBTJL-UHFFFAOYSA-N	-1	3	364.452	2.078	20	30		FEEDHM
C[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)c2ncnn21	ZINC000594805921	673149165	/nfs/dbraw/zinc/14/91/65/673149165.db2.gz	DYHUWJLWKAMOSA-GZMMTYOYSA-N	-1	3	371.344	2.153	20	30		FEEDHM
C=CCCSCC[N-]S(=O)(=O)c1sc(C(=O)OC)cc1OC	ZINC000594815264	673151250	/nfs/dbraw/zinc/15/12/50/673151250.db2.gz	PMUIOZJMOUYJSV-UHFFFAOYSA-N	-1	3	365.498	2.131	20	30		FEEDHM
C=CCCSCCNC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1	ZINC000595722700	673285700	/nfs/dbraw/zinc/28/57/00/673285700.db2.gz	GEUUQLJTHUBJMH-UHFFFAOYSA-N	-1	3	363.483	2.169	20	30		FEEDHM
N#CCC1CN(C(=O)c2c[n-]c3c(OC(F)(F)F)cccc3c2=O)C1	ZINC000598034325	673531847	/nfs/dbraw/zinc/53/18/47/673531847.db2.gz	RNHPFQKZOUPQQZ-UHFFFAOYSA-N	-1	3	351.284	2.412	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCO[C@](C)(C(F)F)C1	ZINC000598573728	673585434	/nfs/dbraw/zinc/58/54/34/673585434.db2.gz	RPLYSAVCSNPYRQ-KRWDZBQOSA-N	-1	3	353.369	2.091	20	30		FEEDHM
O=S(=O)([N-]CC[C@H](O)C(F)(F)F)c1ccc(C(F)(F)F)cc1F	ZINC000542702118	673598536	/nfs/dbraw/zinc/59/85/36/673598536.db2.gz	PAOIKRFLAYKYPM-VIFPVBQESA-N	-1	3	369.258	2.436	20	30		FEEDHM
CC(C)CCCNC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000742527067	673729760	/nfs/dbraw/zinc/72/97/60/673729760.db2.gz	VVCLKLMLCJEXPG-CYBMUJFWSA-N	-1	3	351.472	2.056	20	30		FEEDHM
C[C@H](CC(=O)NC[C@H](C)C(C)(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000742675996	673734313	/nfs/dbraw/zinc/73/43/13/673734313.db2.gz	GWMKCQMPIKGISL-QWHCGFSZSA-N	-1	3	365.499	2.302	20	30		FEEDHM
COCCC1N=NC(=S)N1N=Cc1cc(Br)ccc1[O-]	ZINC000743447757	673760117	/nfs/dbraw/zinc/76/01/17/673760117.db2.gz	ZQMCZEUHNSRMRV-UHFFFAOYSA-N	-1	3	357.233	2.106	20	30		FEEDHM
CC[C@H](Cc1cccc(Br)c1)C(=O)N[C@@H]1CCN([O-])C1=O	ZINC000820157335	675340107	/nfs/dbraw/zinc/34/01/07/675340107.db2.gz	VYGHAIYMYDKMJJ-DGCLKSJQSA-N	-1	3	355.232	2.124	20	30		FEEDHM
O=C(N[C@@H]1CCN([O-])C1=O)C1(c2ccc(Br)cc2)CCCC1	ZINC000820185060	675342248	/nfs/dbraw/zinc/34/22/48/675342248.db2.gz	HOXAAWYEGZQDMY-CYBMUJFWSA-N	-1	3	367.243	2.367	20	30		FEEDHM
O=C(CSCc1coc(-c2ccccc2)n1)N[C@H]1CCCN([O-])C1=O	ZINC000820482946	675365283	/nfs/dbraw/zinc/36/52/83/675365283.db2.gz	UYSRJADFWKFSEG-AWEZNQCLSA-N	-1	3	361.423	2.071	20	30		FEEDHM
NC(=NOCCOc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1	ZINC000826388199	675687709	/nfs/dbraw/zinc/68/77/09/675687709.db2.gz	MQEXRMKCGWUNRL-UHFFFAOYSA-N	-1	3	358.789	2.236	20	30		FEEDHM
NC(=NOCCOc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)cc1	ZINC000826388199	675687710	/nfs/dbraw/zinc/68/77/10/675687710.db2.gz	MQEXRMKCGWUNRL-UHFFFAOYSA-N	-1	3	358.789	2.236	20	30		FEEDHM
C=CC[C@@H](C)[N-]S(=O)(=O)c1c(C)nn2cc(Br)cnc12	ZINC000631982289	676968500	/nfs/dbraw/zinc/96/85/00/676968500.db2.gz	TVZRPHPTOYKEOK-MRVPVSSYSA-N	-1	3	359.249	2.043	20	30		FEEDHM
C=C[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F	ZINC000650195381	677359255	/nfs/dbraw/zinc/35/92/55/677359255.db2.gz	BFVMPFWDGGNRCV-YPMHNXCESA-N	-1	3	362.810	2.059	20	30		FEEDHM
CN1CCC(=N[N-]c2cc(C(F)(F)F)nc(-c3cccnc3)n2)C1=O	ZINC000761815004	680732067	/nfs/dbraw/zinc/73/20/67/680732067.db2.gz	FISVVONRTKOJNB-UHFFFAOYSA-N	-1	3	350.304	2.187	20	30		FEEDHM
COc1cc(CN=Nc2nccc(N3CCOCC3)n2)cc(Cl)c1[O-]	ZINC000762600172	680755301	/nfs/dbraw/zinc/75/53/01/680755301.db2.gz	INYCUIQZDBJWQZ-UHFFFAOYSA-N	-1	3	363.805	2.127	20	30		FEEDHM
C=C(C)COCC[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1	ZINC000830872459	679892575	/nfs/dbraw/zinc/89/25/75/679892575.db2.gz	IJBIIGSIFFDGRG-UHFFFAOYSA-N	-1	3	369.668	2.369	20	30		FEEDHM
O=C1[C@H](/N=C\c2cc(Br)ccc2[O-])CCN1C1CCOCC1	ZINC000747863478	679908570	/nfs/dbraw/zinc/90/85/70/679908570.db2.gz	DSGKQUQDGRYSKM-FNHQQPGVSA-N	-1	3	367.243	2.354	20	30		FEEDHM
N#CCCCS(=O)(=O)[N-]C[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F	ZINC000751292103	680166213	/nfs/dbraw/zinc/16/62/13/680166213.db2.gz	MGOFLNKEAAIOMH-GFCCVEGCSA-N	-1	3	370.780	2.313	20	30		FEEDHM
CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NCC1(C)CC1	ZINC000752722093	680255935	/nfs/dbraw/zinc/25/59/35/680255935.db2.gz	LDCNHXQWENRGMQ-AWEZNQCLSA-N	-1	3	363.483	2.056	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCS[C@H](C)C2)ccc1F	ZINC000834684146	680256285	/nfs/dbraw/zinc/25/62/85/680256285.db2.gz	QBWGDEBRRMTBHS-DGCLKSJQSA-N	-1	3	372.487	2.304	20	30		FEEDHM
COc1cc(C[N-]S(=O)(=O)c2cccnc2C#N)ccc1OC(C)C	ZINC000758081035	680554142	/nfs/dbraw/zinc/55/41/42/680554142.db2.gz	HXHMQSCVKZGJKX-UHFFFAOYSA-N	-1	3	361.423	2.228	20	30		FEEDHM
C[C@H](CC(=O)N1C[C@H](C)[C@H](C)[C@@H]1C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000841460112	680883620	/nfs/dbraw/zinc/88/36/20/680883620.db2.gz	GKNSLNJAEWJXET-CRWXNKLISA-N	-1	3	363.483	2.007	20	30		FEEDHM
O=S(=O)(Cc1ccccc1)[N-]N=Cc1cncc(Br)c1	ZINC000767378985	680909630	/nfs/dbraw/zinc/90/96/30/680909630.db2.gz	IXNQDYZGKOGBQF-UHFFFAOYSA-N	-1	3	354.229	2.298	20	30		FEEDHM
C#C[C@H](CC)OC(=O)[C@H](CC(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000768059816	680936691	/nfs/dbraw/zinc/93/66/91/680936691.db2.gz	AHFBRRKDOLSLEW-HIFRSBDPSA-N	-1	3	362.451	2.095	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCCC(F)(F)C2)ccc1F	ZINC000844766998	681080963	/nfs/dbraw/zinc/08/09/63/681080963.db2.gz	UVSAEAKCXGSYRF-UHFFFAOYSA-N	-1	3	362.373	2.161	20	30		FEEDHM
C=C(C)CONC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl	ZINC000846539830	681256294	/nfs/dbraw/zinc/25/62/94/681256294.db2.gz	GCZFZGOBIOSCSL-UHFFFAOYSA-N	-1	3	367.254	2.286	20	30		FEEDHM
C=C[C@H](C)O[N-]C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1	ZINC000846542997	681257352	/nfs/dbraw/zinc/25/73/52/681257352.db2.gz	FETFJUMEUNGHPK-AAEUAGOBSA-N	-1	3	358.485	2.080	20	30		FEEDHM
CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)OCC2(C#N)CC2)ccc1F	ZINC000775845857	681341328	/nfs/dbraw/zinc/34/13/28/681341328.db2.gz	XVMCANCDZSAMIS-UHFFFAOYSA-N	-1	3	354.403	2.363	20	30		FEEDHM
O=C(N[C@H]1CCCN([O-])C1=O)C1(Cc2ccccc2Br)CC1	ZINC000848133476	681478073	/nfs/dbraw/zinc/47/80/73/681478073.db2.gz	ZLOFHFHQRAAJEH-ZDUSSCGKSA-N	-1	3	367.243	2.268	20	30		FEEDHM
CC[C@@](C)(C#N)C(=O)[N-]N1C(=O)c2ccc(Br)cc2C1=O	ZINC000848270621	681506068	/nfs/dbraw/zinc/50/60/68/681506068.db2.gz	LJJVFKLNKJSKAH-AWEZNQCLSA-N	-1	3	350.172	2.016	20	30		FEEDHM
C=CCC1([N-]S(=O)(=O)c2cc(C(=O)OC)ccc2F)CCOCC1	ZINC000849451285	681740846	/nfs/dbraw/zinc/74/08/46/681740846.db2.gz	UVMVLPAERPCLSY-UHFFFAOYSA-N	-1	3	357.403	2.016	20	30		FEEDHM
CCC[C@@](C)([N-]S(=O)(=O)Cc1c(C)cc(C#N)cc1C)C(=O)OC	ZINC000913897187	685488081	/nfs/dbraw/zinc/48/80/81/685488081.db2.gz	NPERYMLEBJKFPS-QGZVFWFLSA-N	-1	3	352.456	2.326	20	30		FEEDHM
CC[C@@H](C#N)OC(=O)c1c(Cl)ccc(S(=O)(=O)[N-]C)c1Cl	ZINC000781192440	681908755	/nfs/dbraw/zinc/90/87/55/681908755.db2.gz	MMCGIDLRCXFBFH-ZETCQYMHSA-N	-1	3	351.211	2.360	20	30		FEEDHM
CCC1CCC(N(C)C(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)CC1	ZINC000914498913	685508208	/nfs/dbraw/zinc/50/82/08/685508208.db2.gz	XNPKKGCMWMEEHW-UHFFFAOYSA-N	-1	3	363.483	2.152	20	30		FEEDHM
C#C[C@H]([N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl)C1CCOCC1	ZINC000851827193	682150263	/nfs/dbraw/zinc/15/02/63/682150263.db2.gz	GWJHJLHGSFFQEJ-LBPRGKRZSA-N	-1	3	372.830	2.263	20	30		FEEDHM
C=CCCn1cc(C[N-]S(=O)(=O)c2cc(F)ccc2OC(C)C)nn1	ZINC000918745704	685541920	/nfs/dbraw/zinc/54/19/20/685541920.db2.gz	QYFXCANQZXSWAE-UHFFFAOYSA-N	-1	3	368.434	2.259	20	30		FEEDHM
CC(C)(C)n1nnc(C=Nn2c(=S)[n-]nc2SCc2ccccc2)n1	ZINC000853280174	682401434	/nfs/dbraw/zinc/40/14/34/682401434.db2.gz	HDCTZNJKVRYJCM-UHFFFAOYSA-N	-1	3	374.499	2.483	20	30		FEEDHM
CCOC(=O)NC1CCC(=N[N-]S(=O)(=O)Cc2ccccc2)CC1	ZINC000853293431	682403229	/nfs/dbraw/zinc/40/32/29/682403229.db2.gz	FLDWGEKYZUCKRS-UHFFFAOYSA-N	-1	3	353.444	2.151	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)OCCC(C)(C)OC)ccc1F	ZINC000787635637	682469976	/nfs/dbraw/zinc/46/99/76/682469976.db2.gz	RDSUDMVNASXBKD-UHFFFAOYSA-N	-1	3	359.419	2.262	20	30		FEEDHM
CCC[C@@H](C#N)[N-]S(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C	ZINC000788549180	682538218	/nfs/dbraw/zinc/53/82/18/682538218.db2.gz	SDEVGRZOJXQPRM-QMMMGPOBSA-N	-1	3	350.849	2.467	20	30		FEEDHM
COC(=O)c1sc(S(=O)(=O)[N-]CC(C)(C)C#N)c(C)c1Cl	ZINC000788664086	682547890	/nfs/dbraw/zinc/54/78/90/682547890.db2.gz	SYVSVPZSKIQFQY-UHFFFAOYSA-N	-1	3	350.849	2.325	20	30		FEEDHM
N#CC[C@@H]1CCCN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)C1	ZINC000855254375	682643877	/nfs/dbraw/zinc/64/38/77/682643877.db2.gz	JIHYNPXRNOWFSC-LBPRGKRZSA-N	-1	3	365.430	2.032	20	30		FEEDHM
C=CCN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1)[C@H](C)COC	ZINC000855372029	682662722	/nfs/dbraw/zinc/66/27/22/682662722.db2.gz	OMJYDWBIQKVAEV-CYBMUJFWSA-N	-1	3	372.462	2.176	20	30		FEEDHM
C=CCN(C(=O)c1cc2sccc2c([O-])c1)[C@H]1CCS(=O)(=O)C1	ZINC000791328127	682734869	/nfs/dbraw/zinc/73/48/69/682734869.db2.gz	CRNHDQCIAJHZOZ-LBPRGKRZSA-N	-1	3	351.449	2.422	20	30		FEEDHM
C=CCCONC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl	ZINC000856028296	682735782	/nfs/dbraw/zinc/73/57/82/682735782.db2.gz	FZOACPQMZQYOBU-UHFFFAOYSA-N	-1	3	367.254	2.286	20	30		FEEDHM
CS(=O)(=O)c1cc(C([O-])=C(C#N)C(=O)Nc2ccccc2)ccc1F	ZINC000793126170	682865663	/nfs/dbraw/zinc/86/56/63/682865663.db2.gz	SBSDXMUIOAFQKK-ZDUSSCGKSA-N	-1	3	360.366	2.190	20	30		FEEDHM
C#CC[C@@H](CCOC)[N-]S(=O)(=O)c1cccc(Br)c1F	ZINC000859423602	683106975	/nfs/dbraw/zinc/10/69/75/683106975.db2.gz	HCHBPYYRZAVAGA-JTQLQIEISA-N	-1	3	364.236	2.295	20	30		FEEDHM
CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NCC(C)(C)C	ZINC000919872595	683304369	/nfs/dbraw/zinc/30/43/69/683304369.db2.gz	NVLCTZRXDXHROV-AWEZNQCLSA-N	-1	3	365.499	2.302	20	30		FEEDHM
C[C@H](CC(=O)OCCCC(C)(F)F)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000922498817	683736341	/nfs/dbraw/zinc/73/63/41/683736341.db2.gz	VSCKZRMJNYTNNX-LLVKDONJSA-N	-1	3	374.409	2.482	20	30		FEEDHM
N#C[C@@]1(C(=O)Nc2cc(I)ccc2[O-])CCCOC1	ZINC000867011508	684195826	/nfs/dbraw/zinc/19/58/26/684195826.db2.gz	SCJIYCCLUHFDRF-ZDUSSCGKSA-N	-1	3	372.162	2.256	20	30		FEEDHM
N#CC1(CS(=O)(=O)[N-]Cc2cc(Br)no2)CCCCC1	ZINC000867323801	684248109	/nfs/dbraw/zinc/24/81/09/684248109.db2.gz	VFRZGDQRWAUNDY-UHFFFAOYSA-N	-1	3	362.249	2.331	20	30		FEEDHM
C=CC1(S(=O)(=O)[N-]C(=O)C2(C)CCN(Cc3ccccc3)CC2)CC1	ZINC000870837851	684761527	/nfs/dbraw/zinc/76/15/27/684761527.db2.gz	DXBAWEXAXIYHAC-UHFFFAOYSA-N	-1	3	362.495	2.453	20	30		FEEDHM
COC(=O)[C@H]([N-]S(=O)(=O)CCCC#N)c1cccc(C(F)(F)F)c1	ZINC000872543486	684975097	/nfs/dbraw/zinc/97/50/97/684975097.db2.gz	OBAQMOAZDNKWDA-GFCCVEGCSA-N	-1	3	364.345	2.143	20	30		FEEDHM
C=CC(C)(C)CCC[N-]S(=O)(=O)c1cnn(C)c1Br	ZINC000872544346	684975433	/nfs/dbraw/zinc/97/54/33/684975433.db2.gz	DNGPPKLBHYQFJB-UHFFFAOYSA-N	-1	3	350.282	2.453	20	30		FEEDHM
C#C[C@H]1CC[C@H](NC(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)CC1	ZINC000873296217	685105911	/nfs/dbraw/zinc/10/59/11/685105911.db2.gz	DEVYGUGOJUKJGO-MGPQQGTHSA-N	-1	3	359.392	2.279	20	30		FEEDHM
C#C[C@H]1CC[C@H](NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)CC1	ZINC000874864906	685684625	/nfs/dbraw/zinc/68/46/25/685684625.db2.gz	YBNJVFGHJUKCEZ-MQMHXKEQSA-N	-1	3	364.442	2.188	20	30		FEEDHM
C=CCOc1ccc(CN2CC(C[N-]C(=O)C(F)(F)F)C2)cc1OC	ZINC000877779090	686455569	/nfs/dbraw/zinc/45/55/69/686455569.db2.gz	YJOMJAHILDEUCC-UHFFFAOYSA-N	-1	3	358.360	2.370	20	30		FEEDHM
O=C(Nc1cc(F)c(Br)cc1F)N[C@@H]1CCCN([O-])C1=O	ZINC000879019538	686716439	/nfs/dbraw/zinc/71/64/39/686716439.db2.gz	DDLMFKGNOOBJAQ-SECBINFHSA-N	-1	3	364.146	2.229	20	30		FEEDHM
O=C(N[C@@H](c1c(F)cccc1F)C(F)(F)F)N[C@H]1CCCN([O-])C1=O	ZINC000879267529	686784224	/nfs/dbraw/zinc/78/42/24/686784224.db2.gz	BXKYFXICMXJHGX-ONGXEEELSA-N	-1	3	367.274	2.248	20	30		FEEDHM
Cc1c(NC(=O)N[C@H]2CCCN([O-])C2=O)cnn1-c1ccc(Cl)cc1	ZINC000879600689	686867512	/nfs/dbraw/zinc/86/75/12/686867512.db2.gz	VVXCPJVWISCHOB-ZDUSSCGKSA-N	-1	3	363.805	2.336	20	30		FEEDHM
C=C(C)C[C@H]([N-]S(=O)(=O)CC[C@H]1CC1(Cl)Cl)C(=O)OCC	ZINC000882645113	687425732	/nfs/dbraw/zinc/42/57/32/687425732.db2.gz	KNXJJLXRSJSYEF-QWRGUYRKSA-N	-1	3	358.287	2.388	20	30		FEEDHM
C=C(C)C[C@H](CO)[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)OC	ZINC000882848521	687512634	/nfs/dbraw/zinc/51/26/34/687512634.db2.gz	KNPRSAYCFHLVIH-LLVKDONJSA-N	-1	3	369.464	2.293	20	30		FEEDHM
C=CCCCN(CC)C(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000890814065	688968650	/nfs/dbraw/zinc/96/86/50/688968650.db2.gz	SXQDYQHORSVYLO-CQSZACIVSA-N	-1	3	363.483	2.318	20	30		FEEDHM
O=C1[C@H](NCc2nc(-c3ccc(Br)cc3)c[nH]2)CCCN1[O-]	ZINC000895164427	689669764	/nfs/dbraw/zinc/66/97/64/689669764.db2.gz	GHTIPFVGGPUPER-GFCCVEGCSA-N	-1	3	365.231	2.309	20	30		FEEDHM
O=c1cc(N2CC[C@@H](N=Cc3cc(Br)ccc3O)C2)nc[n-]1	ZINC000899231181	690322468	/nfs/dbraw/zinc/32/24/68/690322468.db2.gz	BJIIAPQDSIRBOO-KOSUEXCASA-N	-1	3	363.215	2.348	20	30		FEEDHM
CCS(=O)(=O)c1ccccc1CC/N=C/c1c([O-])c(C)ncc1CO	ZINC000899225881	690322643	/nfs/dbraw/zinc/32/26/43/690322643.db2.gz	FXYCNYCLHHZOMM-YBFXNURJSA-N	-1	3	362.451	2.043	20	30		FEEDHM
COC(=O)C1CC2(C1)C[C@H](/N=C/c1c(CO)cnc(C)c1[O-])CCS2	ZINC000899232600	690323080	/nfs/dbraw/zinc/32/30/80/690323080.db2.gz	QNZHUBNDXLSWJZ-TXFXMHOBSA-N	-1	3	364.467	2.224	20	30		FEEDHM
N#Cc1ccc(CN2CC[C@@H](NCc3ccc(C(=O)[O-])s3)C2=O)cc1	ZINC000903685055	690960528	/nfs/dbraw/zinc/96/05/28/690960528.db2.gz	MJOFEOMUNRIRHW-OAHLLOKOSA-N	-1	3	355.419	2.209	20	30		FEEDHM
CCCCCCN([O-])C(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1	ZINC000904205507	691012752	/nfs/dbraw/zinc/01/27/52/691012752.db2.gz	KLWDDXSLTPGNLN-UHFFFAOYSA-N	-1	3	369.487	2.280	20	30		FEEDHM
CC(C)(C#N)C[N-]S(=O)(=O)c1ccc(I)s1	ZINC000907107604	691397079	/nfs/dbraw/zinc/39/70/79/691397079.db2.gz	LVMASDBHKGVJDH-UHFFFAOYSA-N	-1	3	370.237	2.181	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)c1c(C#N)sc2ccccc21)[C@@H](O)C(F)(F)F	ZINC000907317064	691450174	/nfs/dbraw/zinc/45/01/74/691450174.db2.gz	TWRDXNRZFWHYHK-JVXZTZIISA-N	-1	3	364.370	2.363	20	30		FEEDHM
C[C@H]1CC[C@H](c2nc(CC(=O)N[C@@H]3CCCN([O-])C3=O)cs2)CC1	ZINC000908403538	691674064	/nfs/dbraw/zinc/67/40/64/691674064.db2.gz	RQYCJROWGPREKG-YRGRVCCFSA-N	-1	3	351.472	2.476	20	30		FEEDHM
CCn1c2ccccc2n(CC(=O)Nc2nnc(C(F)(F)F)[n-]2)c1=O	ZINC000029389621	539852006	/nfs/dbraw/zinc/85/20/06/539852006.db2.gz	MRFYGKFPYRZYRQ-UHFFFAOYSA-N	-1	3	354.292	2.248	20	30		FEEDHM
CCn1c2ccccc2n(CC(=O)Nc2nc(C(F)(F)F)n[n-]2)c1=O	ZINC000029389621	539852008	/nfs/dbraw/zinc/85/20/08/539852008.db2.gz	MRFYGKFPYRZYRQ-UHFFFAOYSA-N	-1	3	354.292	2.248	20	30		FEEDHM
N#Cc1c(F)cccc1N1CCN(Cc2nc3ccsc3c(=O)[n-]2)CC1	ZINC000029857027	539867116	/nfs/dbraw/zinc/86/71/16/539867116.db2.gz	LHIKMMUQCWXWEI-UHFFFAOYSA-N	-1	3	369.425	2.318	20	30		FEEDHM
O=C(CN1CCN(Cc2ccccc2)CC1)Nc1nnc(C(F)(F)F)[n-]1	ZINC000045571154	540217598	/nfs/dbraw/zinc/21/75/98/540217598.db2.gz	XZNZZMHDGCAXFY-UHFFFAOYSA-N	-1	3	368.363	2.229	20	30		FEEDHM
O=C(CN1CCN(Cc2ccccc2)CC1)Nc1nc(C(F)(F)F)n[n-]1	ZINC000045571154	540217599	/nfs/dbraw/zinc/21/75/99/540217599.db2.gz	XZNZZMHDGCAXFY-UHFFFAOYSA-N	-1	3	368.363	2.229	20	30		FEEDHM
O=C(CN1CCN(Cc2ccccc2)CC1)Nc1n[n-]c(C(F)(F)F)n1	ZINC000045571154	540217600	/nfs/dbraw/zinc/21/76/00/540217600.db2.gz	XZNZZMHDGCAXFY-UHFFFAOYSA-N	-1	3	368.363	2.229	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCc1c(F)cccc1F	ZINC000046731704	540268855	/nfs/dbraw/zinc/26/88/55/540268855.db2.gz	QAZYVLPCKUSIAP-UHFFFAOYSA-N	-1	3	359.376	2.433	20	30		FEEDHM
Cc1cc([C@H]2CCCN2C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)on1	ZINC000047265523	540300240	/nfs/dbraw/zinc/30/02/40/540300240.db2.gz	HWNAHZQCIGQZQW-MRXNPFEDSA-N	-1	3	354.410	2.456	20	30		FEEDHM
Cc1ccccc1OCCNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C	ZINC000055954742	540690031	/nfs/dbraw/zinc/69/00/31/540690031.db2.gz	UXVHRVYHBMSCFY-UHFFFAOYSA-N	-1	3	353.422	2.300	20	30		FEEDHM
N#Cc1ccc(N2CCC(NC(=O)c3c[n-]c4ccccc4c3=O)CC2)nc1	ZINC000066768375	541371598	/nfs/dbraw/zinc/37/15/98/541371598.db2.gz	NOOADEYDZNIGBH-UHFFFAOYSA-N	-1	3	373.416	2.194	20	30		FEEDHM
Cc1cccc2nc(CNC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)cn21	ZINC000068570353	541610843	/nfs/dbraw/zinc/61/08/43/541610843.db2.gz	JGFPYLSTBZTFIE-UHFFFAOYSA-N	-1	3	363.421	2.069	20	30		FEEDHM
CNC(=O)c1ccc(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)cc1	ZINC000072990207	541905164	/nfs/dbraw/zinc/90/51/64/541905164.db2.gz	BCWHVGWRAYSZBJ-UHFFFAOYSA-N	-1	3	363.826	2.050	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@@]1(C#N)CCC[C@H](C)C1	ZINC000116811947	543617104	/nfs/dbraw/zinc/61/71/04/543617104.db2.gz	FOSFCQKEMGJEMH-ZOWXZIJZSA-N	-1	3	355.485	2.004	20	30		FEEDHM
C=CC[C@@H](C)NC(=O)[C@@H](CCSC)[N-]S(=O)(=O)c1ccccc1F	ZINC000116858478	543618367	/nfs/dbraw/zinc/61/83/67/543618367.db2.gz	MOGPZHMXOUDKEH-TZMCWYRMSA-N	-1	3	374.503	2.307	20	30		FEEDHM
C=CC[C@@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1C(F)(F)F	ZINC000116987708	543621075	/nfs/dbraw/zinc/62/10/75/543621075.db2.gz	GKMQOOABIGUCAD-MNOVXSKESA-N	-1	3	364.389	2.453	20	30		FEEDHM
N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H](CO)c1ccccc1	ZINC000125440468	543881863	/nfs/dbraw/zinc/88/18/63/543881863.db2.gz	ACUFEKFCZGXNOT-CQSZACIVSA-N	-1	3	350.827	2.266	20	30		FEEDHM
C=CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCCC(C)C)cc1	ZINC000125449464	543882259	/nfs/dbraw/zinc/88/22/59/543882259.db2.gz	UJYZYKUZCGMSNH-UHFFFAOYSA-N	-1	3	360.501	2.329	20	30		FEEDHM
COCCOCCS(=O)(=O)[N-]c1cccc(C#Cc2ccccc2)c1	ZINC000133451601	544270576	/nfs/dbraw/zinc/27/05/76/544270576.db2.gz	RIDOBTJAFNWMJY-UHFFFAOYSA-N	-1	3	359.447	2.491	20	30		FEEDHM
C=CCn1c(=O)c2ccc(C(=O)N(C)[C@@H]3CCCN(C)C3)cc2[n-]c1=S	ZINC000151122811	544508074	/nfs/dbraw/zinc/50/80/74/544508074.db2.gz	GWIOSWWOTPLOGH-CQSZACIVSA-N	-1	3	372.494	2.037	20	30		FEEDHM
CCN(C(=O)c1ccc(S(=O)(=O)[N-]C)nc1)[C@@H](C)c1ccc(C#N)cc1	ZINC000184868265	327886378	/nfs/dbraw/zinc/88/63/78/327886378.db2.gz	OCZDRNHIPPLMHF-ZDUSSCGKSA-N	-1	3	372.450	2.085	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)[C@@H](O)Cc1ccccc1	ZINC000185327892	327911688	/nfs/dbraw/zinc/91/16/88/327911688.db2.gz	PUAMHYPVSPPNJU-LRDDRELGSA-N	-1	3	364.854	2.482	20	30		FEEDHM
CCO[C@@H]1C[C@@](O)(C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)C1(C)C	ZINC000188476692	328089544	/nfs/dbraw/zinc/08/95/44/328089544.db2.gz	VVBVRMQURIDUKQ-GDBMZVCRSA-N	-1	3	372.874	2.056	20	30		FEEDHM
N#Cc1cc(NC(=O)N2CCN(C(=O)c3cccc([O-])c3)CC2)ccc1F	ZINC000102954885	325502206	/nfs/dbraw/zinc/50/22/06/325502206.db2.gz	VFOBCNNUFJAVCA-UHFFFAOYSA-N	-1	3	368.368	2.393	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)CCN(C)c1ccccc1	ZINC000107501195	325628995	/nfs/dbraw/zinc/62/89/95/325628995.db2.gz	YYTMOVMLCXBLDG-UHFFFAOYSA-N	-1	3	366.465	2.391	20	30		FEEDHM
CCc1cc(=O)[n-]c(CN2CCN(c3c(C#N)cnc4ccccc43)CC2)n1	ZINC000119399256	326158162	/nfs/dbraw/zinc/15/81/62/326158162.db2.gz	XZHPPMOAPULBDQ-UHFFFAOYSA-N	-1	3	374.448	2.487	20	30		FEEDHM
CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C12CCC2	ZINC000122146190	326385494	/nfs/dbraw/zinc/38/54/94/326385494.db2.gz	VHAZOOOAJSKPJJ-CABCVRRESA-N	-1	3	365.411	2.092	20	30		FEEDHM
Cc1ccc([C@H]2CN(C(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)CCO2)o1	ZINC000133691845	326613167	/nfs/dbraw/zinc/61/31/67/326613167.db2.gz	UPDADUUVDPKFEG-GOSISDBHSA-N	-1	3	369.421	2.298	20	30		FEEDHM
N#Cc1ccc(Cn2cnc([N-]C(=O)c3cnc(C(F)(F)F)nc3)n2)cc1	ZINC000158083466	326884581	/nfs/dbraw/zinc/88/45/81/326884581.db2.gz	MVWXRBMGQLUCLG-UHFFFAOYSA-N	-1	3	373.298	2.259	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)[C@@H]1COc2ccccc21	ZINC000167592170	327085334	/nfs/dbraw/zinc/08/53/34/327085334.db2.gz	FEQSPNCMNICLRZ-RISCZKNCSA-N	-1	3	373.390	2.309	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nc2cc(F)ccc2n1C	ZINC000174594820	327337212	/nfs/dbraw/zinc/33/72/12/327337212.db2.gz	QPPCWGPMJQFXQP-UHFFFAOYSA-N	-1	3	367.384	2.461	20	30		FEEDHM
Cc1cccn2cc(CNC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)nc12	ZINC000264799498	329062262	/nfs/dbraw/zinc/06/22/62/329062262.db2.gz	YPVRCKHHAVSMSH-UHFFFAOYSA-N	-1	3	363.421	2.481	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]CCCCCCO)c(C(F)(F)F)c1	ZINC000271821417	329728070	/nfs/dbraw/zinc/72/80/70/329728070.db2.gz	NJOVQKVAGNTUEA-UHFFFAOYSA-N	-1	3	350.362	2.408	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2CCO)c(C(F)(F)F)c1	ZINC000275194144	330020800	/nfs/dbraw/zinc/02/08/00/330020800.db2.gz	PKFMRZFDDPRQNV-WCQYABFASA-N	-1	3	362.373	2.406	20	30		FEEDHM
COC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)o1)c1cccc(Cl)c1	ZINC000805022110	674313633	/nfs/dbraw/zinc/31/36/33/674313633.db2.gz	KDIVVKPWRHEAQQ-CYBMUJFWSA-N	-1	3	368.798	2.387	20	30		FEEDHM
COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1cccc(C#N)c1	ZINC000156293280	545615566	/nfs/dbraw/zinc/61/55/66/545615566.db2.gz	ORJHWUBWDYRSGL-UHFFFAOYSA-N	-1	3	364.810	2.477	20	30		FEEDHM
N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]Cc1cccnc1-n1ccnc1	ZINC000156389613	545624141	/nfs/dbraw/zinc/62/41/41/545624141.db2.gz	HHKGYCVMCFQRSX-UHFFFAOYSA-N	-1	3	373.825	2.271	20	30		FEEDHM
N#Cc1cc(F)ccc1S(=O)(=O)[N-]Cc1ccc(Cn2ccnc2)cc1	ZINC000156549193	545634981	/nfs/dbraw/zinc/63/49/81/545634981.db2.gz	VFDYYVQEFJGMHE-UHFFFAOYSA-N	-1	3	370.409	2.421	20	30		FEEDHM
COC(=O)c1sc2[n-]c(CN(CC#N)C3CCCC3)nc(=O)c2c1C	ZINC000156655045	545643242	/nfs/dbraw/zinc/64/32/42/545643242.db2.gz	NGGZNOVNYBJOAW-UHFFFAOYSA-N	-1	3	360.439	2.348	20	30		FEEDHM
CCOC(=O)c1sc([C@H](C)[N-]S(=O)(=O)CC2(C#N)CCC2)nc1C	ZINC000477562456	561148010	/nfs/dbraw/zinc/14/80/10/561148010.db2.gz	WGUQIDNJLRDITK-NSHDSACASA-N	-1	3	371.484	2.303	20	30		FEEDHM
N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C[C@@H](O)Cc1ccccc1	ZINC000161062209	546096903	/nfs/dbraw/zinc/09/69/03/546096903.db2.gz	KHWGIHWDZCUQSG-ZDUSSCGKSA-N	-1	3	350.827	2.094	20	30		FEEDHM
O=S(=O)(N1CCC(C/N=C/c2ccccc2[O-])CC1)C(F)(F)F	ZINC000171931739	546230529	/nfs/dbraw/zinc/23/05/29/546230529.db2.gz	JJJOVEXLNZXEDW-VCHYOVAHSA-N	-1	3	350.362	2.373	20	30		FEEDHM
C=CCNS(=O)(=O)c1cccc(C(=O)Nc2cc(F)ccc2[O-])c1	ZINC000178329697	546775371	/nfs/dbraw/zinc/77/53/71/546775371.db2.gz	COQKEMBANFDOKM-UHFFFAOYSA-N	-1	3	350.371	2.248	20	30		FEEDHM
COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ccc(C#N)cc1	ZINC000178514376	546806502	/nfs/dbraw/zinc/80/65/02/546806502.db2.gz	HAIRBVUQWWHIBZ-UHFFFAOYSA-N	-1	3	364.810	2.477	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCN(c3ccccn3)C2)c(Cl)c1	ZINC000180202568	547067120	/nfs/dbraw/zinc/06/71/20/547067120.db2.gz	CHZXGTATTIQIPS-ZDUSSCGKSA-N	-1	3	362.842	2.164	20	30		FEEDHM
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@]1(C#N)CCC[C@H](C)C1	ZINC000182013574	547422505	/nfs/dbraw/zinc/42/25/05/547422505.db2.gz	ODSRUMIMZSHIAP-XHDPSFHLSA-N	-1	3	353.400	2.354	20	30		FEEDHM
Cc1ccc(C(=O)NCCC(=O)N(CCC#N)Cc2ccco2)c([O-])c1	ZINC000183519833	547674489	/nfs/dbraw/zinc/67/44/89/547674489.db2.gz	YUJMNAFKGLHPQF-UHFFFAOYSA-N	-1	3	355.394	2.356	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]CCCOCC2CCOCC2)c(Cl)c1	ZINC000183717198	547706824	/nfs/dbraw/zinc/70/68/24/547706824.db2.gz	SRDUMJGZXMRFMY-UHFFFAOYSA-N	-1	3	372.874	2.323	20	30		FEEDHM
CC[C@H](CC#N)NC(=O)Cc1csc(NC(=O)c2cccc([O-])c2)n1	ZINC000183813529	547723727	/nfs/dbraw/zinc/72/37/27/547723727.db2.gz	JQALVFJWYJYKFQ-GFCCVEGCSA-N	-1	3	358.423	2.452	20	30		FEEDHM
CCCn1c(=O)[n-]c(=O)c2c(C(=O)N[C@H](CC)CC#N)cc(C(C)C)nc21	ZINC000183889697	547734616	/nfs/dbraw/zinc/73/46/16/547734616.db2.gz	KHIOFZLCBSFNGZ-GFCCVEGCSA-N	-1	3	371.441	2.040	20	30		FEEDHM
C=CC[C@@H](CO)NC(=O)/C=C/c1cc(Br)c([O-])c(OC)c1	ZINC000185792162	548035587	/nfs/dbraw/zinc/03/55/87/548035587.db2.gz	PDCZZJMQVCCRIZ-QRGHLMKCSA-N	-1	3	356.216	2.230	20	30		FEEDHM
N#Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2cccnc2-n2ccnc2)c1	ZINC000186252062	548106483	/nfs/dbraw/zinc/10/64/83/548106483.db2.gz	ZJLODBJVWLNPDV-UHFFFAOYSA-N	-1	3	373.825	2.271	20	30		FEEDHM
COC(=O)c1ccc(CS(=O)(=O)[N-][C@@]2(C#N)CCC[C@@H](C)C2)cc1	ZINC000194689812	548515582	/nfs/dbraw/zinc/51/55/82/548515582.db2.gz	FXPHUCFOMBECEN-DYVFJYSZSA-N	-1	3	350.440	2.365	20	30		FEEDHM
CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)C[C@@H](C)C#N)cc1	ZINC000265642671	550012592	/nfs/dbraw/zinc/01/25/92/550012592.db2.gz	JJNWAIFKHAGEQE-ZDUSSCGKSA-N	-1	3	373.500	2.009	20	30		FEEDHM
CCc1nnc(N2CCN(C(=O)c3ccc([O-])cc3)CC2)c(C#N)c1CC	ZINC000268451912	550068699	/nfs/dbraw/zinc/06/86/99/550068699.db2.gz	FZVNJMASQTVUNH-UHFFFAOYSA-N	-1	3	365.437	2.141	20	30		FEEDHM
C=CCCCCCN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC	ZINC000491719870	561447345	/nfs/dbraw/zinc/44/73/45/561447345.db2.gz	JYBXWMXFCNZHIG-UHFFFAOYSA-N	-1	3	374.528	2.352	20	30		FEEDHM
CCC[C@](C)(O)C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000269820186	550227986	/nfs/dbraw/zinc/22/79/86/550227986.db2.gz	VWZZOHQQJDZHEF-ZDUSSCGKSA-N	-1	3	350.362	2.406	20	30		FEEDHM
N#Cc1ccc(N2CCC[C@H]([N-]S(=O)(=O)Cc3ccccc3)C2=O)cc1	ZINC000272395492	550443622	/nfs/dbraw/zinc/44/36/22/550443622.db2.gz	JCXBAORKRZJJCJ-SFHVURJKSA-N	-1	3	369.446	2.173	20	30		FEEDHM
C=C(C)[C@H](Cc1nc(-c2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)no1)OCC	ZINC000273737097	550509761	/nfs/dbraw/zinc/50/97/61/550509761.db2.gz	BJPYZHYGTREIHF-IFXJQAMLSA-N	-1	3	370.409	2.315	20	30		FEEDHM
C=CCN(C)S(=O)(=O)c1ccc(NC([O-])=NO[C@@H]2CCCCO2)cc1	ZINC000274237352	550529107	/nfs/dbraw/zinc/52/91/07/550529107.db2.gz	TTZBWJIDOMHUFY-OAHLLOKOSA-N	-1	3	369.443	2.073	20	30		FEEDHM
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[N-]O[C@@H]2CCCCO2)cc1	ZINC000274237352	550529108	/nfs/dbraw/zinc/52/91/08/550529108.db2.gz	TTZBWJIDOMHUFY-OAHLLOKOSA-N	-1	3	369.443	2.073	20	30		FEEDHM
CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)[C@]12CCCO2	ZINC000274729690	550550750	/nfs/dbraw/zinc/55/07/50/550550750.db2.gz	GPYBQGLETPLINZ-BZUAXINKSA-N	-1	3	370.858	2.217	20	30		FEEDHM
CCOC(=O)c1c(C2CC2)csc1[N-]C(=O)C(=O)N(C)C[C@@H](C)C#N	ZINC000275655229	550573502	/nfs/dbraw/zinc/57/35/02/550573502.db2.gz	HBRHZNXXPVXFTQ-JTQLQIEISA-N	-1	3	363.439	2.359	20	30		FEEDHM
COC(=O)CC[C@@H](/N=C/c1cc(Br)ccc1[O-])C(=O)OC	ZINC000276668806	550583620	/nfs/dbraw/zinc/58/36/20/550583620.db2.gz	IRXARVNDVNPKAS-FNQVVVRFSA-N	-1	3	358.188	2.068	20	30		FEEDHM
C=CCCCNC(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1	ZINC000279647066	550912274	/nfs/dbraw/zinc/91/22/74/550912274.db2.gz	WLCNHUJANUGZHE-UHFFFAOYSA-N	-1	3	357.501	2.167	20	30		FEEDHM
C=C(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cc(OC)c(OC)cc1F	ZINC000280497446	551000682	/nfs/dbraw/zinc/00/06/82/551000682.db2.gz	BRUCPEUCKCSYJE-BZNIZROVSA-N	-1	3	359.419	2.102	20	30		FEEDHM
C=C(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(OC)c(OC)cc1F	ZINC000280497448	551000694	/nfs/dbraw/zinc/00/06/94/551000694.db2.gz	BRUCPEUCKCSYJE-MEDUHNTESA-N	-1	3	359.419	2.102	20	30		FEEDHM
C=C(C)[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1ccc(Cl)cc1C(=O)OC	ZINC000280500919	551000854	/nfs/dbraw/zinc/00/08/54/551000854.db2.gz	CBECVOZQGHGXBR-NHYWBVRUSA-N	-1	3	373.858	2.386	20	30		FEEDHM
C=C(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(C(=O)OC)ccc1Cl	ZINC000280504813	551001124	/nfs/dbraw/zinc/00/11/24/551001124.db2.gz	CMCDGBKYDCMUJM-SWLSCSKDSA-N	-1	3	373.858	2.386	20	30		FEEDHM
C=CCN(CCc1ccco1)C(=O)CCn1[n-]c(=O)c2ccccc2c1=O	ZINC000496668887	561495067	/nfs/dbraw/zinc/49/50/67/561495067.db2.gz	GBAFLLGOXVBNNQ-UHFFFAOYSA-N	-1	3	367.405	2.343	20	30		FEEDHM
CC(C)(C)n1ncnc1C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl	ZINC000282408906	551224366	/nfs/dbraw/zinc/22/43/66/551224366.db2.gz	SLTDQVLCDGIEPI-UHFFFAOYSA-N	-1	3	353.835	2.037	20	30		FEEDHM
CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)[C@@H](O)C(F)(F)F	ZINC000497978505	561513018	/nfs/dbraw/zinc/51/30/18/561513018.db2.gz	JYKSKHTUBQDERO-GXSJLCMTSA-N	-1	3	356.753	2.192	20	30		FEEDHM
CC(C)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)c1nncn1C	ZINC000285243457	551725574	/nfs/dbraw/zinc/72/55/74/551725574.db2.gz	HVWFRNXAFQGNJD-CYBMUJFWSA-N	-1	3	353.835	2.016	20	30		FEEDHM
CC(C)(C#N)c1ccc(C(=O)N2CCC[C@@H]2C[C@@]2(C)NC(=O)[N-]C2=O)cc1	ZINC000286163412	551856016	/nfs/dbraw/zinc/85/60/16/551856016.db2.gz	JNPSWBGIRZDLDG-FOIQADDNSA-N	-1	3	368.437	2.081	20	30		FEEDHM
C=CCOc1cccc(NC(=O)N2CCC[C@H]2C[C@]2(C)NC(=O)[N-]C2=O)c1	ZINC000287073293	551960244	/nfs/dbraw/zinc/96/02/44/551960244.db2.gz	QDQDJJSZZFGWAR-LIRRHRJNSA-N	-1	3	372.425	2.236	20	30		FEEDHM
C=CCN(CC=C)[C@H](CNC(=O)/N=c1/ccnc2n(C)[n-]cc1-2)C(C)C	ZINC000287399608	551998935	/nfs/dbraw/zinc/99/89/35/551998935.db2.gz	GOCOEKHNWRXSFT-CXJVOSNZSA-N	-1	3	356.474	2.162	20	30		FEEDHM
COc1ccc(CN2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cc1C#N	ZINC000289403787	552315598	/nfs/dbraw/zinc/31/55/98/552315598.db2.gz	GCFUIVFEBJLPQW-ZDUSSCGKSA-N	-1	3	355.360	2.457	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-][C@H](CO)C2CCCC2)c(C(F)(F)F)c1	ZINC000289595121	552346522	/nfs/dbraw/zinc/34/65/22/552346522.db2.gz	RDMAMRRXPKMIQL-CYBMUJFWSA-N	-1	3	362.373	2.406	20	30		FEEDHM
CC(C)OC(=O)C[C@@H]([N-]S(=O)(=O)c1cncc(C#N)c1)c1ccccc1	ZINC000289959957	552405950	/nfs/dbraw/zinc/40/59/50/552405950.db2.gz	WMNNIRHQRPHUPM-QGZVFWFLSA-N	-1	3	373.434	2.315	20	30		FEEDHM
COc1ccc(Br)cc1S(=O)(=O)[N-][C@@]1(C#N)CC1(C)C	ZINC000291020760	552577032	/nfs/dbraw/zinc/57/70/32/552577032.db2.gz	XMBZTLMLJXMXPV-CYBMUJFWSA-N	-1	3	359.245	2.428	20	30		FEEDHM
CSc1ccc([C@@H](C[N-]S(=O)(=O)c2ccc(C#N)o2)N(C)C)cc1	ZINC000293997628	552873867	/nfs/dbraw/zinc/87/38/67/552873867.db2.gz	FUMGFZNOQMLWPO-OAHLLOKOSA-N	-1	3	365.480	2.454	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)NCCC(C)(F)F)ccc1F	ZINC000296025648	553091824	/nfs/dbraw/zinc/09/18/24/553091824.db2.gz	VJQBRHSAFKRAES-UHFFFAOYSA-N	-1	3	350.362	2.065	20	30		FEEDHM
CC1(C)CCC([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)(C(N)=O)CC1	ZINC000503741740	561647768	/nfs/dbraw/zinc/64/77/68/561647768.db2.gz	XXBPTZLPLVRYKN-UHFFFAOYSA-N	-1	3	369.874	2.314	20	30		FEEDHM
CC(C)c1nc([C@@H](C)[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)n[nH]1	ZINC000503862707	561649221	/nfs/dbraw/zinc/64/92/21/561649221.db2.gz	QKVVRYUOTISJHD-SECBINFHSA-N	-1	3	353.835	2.493	20	30		FEEDHM
O=C(CN1CC(=O)[N-]C1=O)NC[C@@H](NCc1ccccc1)C(F)(F)F	ZINC000328592374	553794835	/nfs/dbraw/zinc/79/48/35/553794835.db2.gz	JXWGVFFBYUWTIF-LLVKDONJSA-N	-1	3	358.320	2.056	20	30		FEEDHM
Cn1ncc(C(=O)[N-]c2n[nH]c(-c3ccccc3Br)n2)c1C#N	ZINC000530525457	562414485	/nfs/dbraw/zinc/41/44/85/562414485.db2.gz	AWBAIWJERICJJW-UHFFFAOYSA-N	-1	3	372.186	2.092	20	30		FEEDHM
CC(=O)Nc1ncc(S(=O)(=O)[N-][C@H]2CCCC23CCOCC3)s1	ZINC000329287458	553918279	/nfs/dbraw/zinc/91/82/79/553918279.db2.gz	PPRIMAMYTXECIV-NSHDSACASA-N	-1	3	359.473	2.379	20	30		FEEDHM
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCN2C(=O)[N-]C(=O)[C@H]2C1	ZINC000329451746	553949845	/nfs/dbraw/zinc/94/98/45/553949845.db2.gz	OYYPDXBXICXPFK-JOYOIKCWSA-N	-1	3	373.438	2.161	20	30		FEEDHM
C[C@]1(C[C@@H]2CCCN2C(=O)N[C@H]2CCOC3(CCC3)C2)NC(=O)[N-]C1=O	ZINC000329534936	553963310	/nfs/dbraw/zinc/96/33/10/553963310.db2.gz	LAWSKLXPGMCREY-GDZNZVCISA-N	-1	3	364.446	2.499	20	30		FEEDHM
CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)[N-][C@]1(C#N)CCC[C@@H](C)C1	ZINC000330321085	554104964	/nfs/dbraw/zinc/10/49/64/554104964.db2.gz	SAEZZKQRWZFJMF-DJIMGWMZSA-N	-1	3	355.504	2.169	20	30		FEEDHM
CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@@](C)(C#N)CCSC)c1	ZINC000508080668	561750666	/nfs/dbraw/zinc/75/06/66/561750666.db2.gz	AADLIWYWPAWGGN-OAHLLOKOSA-N	-1	3	374.459	2.316	20	30		FEEDHM
N#Cc1ccnc(N2CCN(C(=O)Cc3ccc([O-])cc3Cl)CC2)c1	ZINC000508754256	561771597	/nfs/dbraw/zinc/77/15/97/561771597.db2.gz	QLMKZHJABDTXJZ-UHFFFAOYSA-N	-1	3	356.813	2.204	20	30		FEEDHM
CN(C)C(=O)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2C#N)C1	ZINC000331295082	554242948	/nfs/dbraw/zinc/24/29/48/554242948.db2.gz	YHXVEGKVPIZPSO-NWDGAFQWSA-N	-1	3	369.874	2.137	20	30		FEEDHM
N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cccc([O-])c2)cc1	ZINC000509065917	561783513	/nfs/dbraw/zinc/78/35/13/561783513.db2.gz	HBQSRHISIYXDNS-INIZCTEOSA-N	-1	3	353.403	2.418	20	30		FEEDHM
C[C@@H](CC#N)N(C)S(=O)(=O)[N-][C@H](CO)c1c(Cl)cccc1Cl	ZINC000509262790	561792879	/nfs/dbraw/zinc/79/28/79/561792879.db2.gz	IQPCNXYAUOQJEY-JOYOIKCWSA-N	-1	3	366.270	2.095	20	30		FEEDHM
N#CCC1(CS(=O)(=O)[N-][C@@H]2CCN(c3cccc(Cl)c3)C2=O)CC1	ZINC000333146781	554579875	/nfs/dbraw/zinc/57/98/75/554579875.db2.gz	ABHJNSFHWRSHNT-CQSZACIVSA-N	-1	3	367.858	2.059	20	30		FEEDHM
Cc1oc(C#N)cc1-c1nc(-c2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)no1	ZINC000349901805	554748776	/nfs/dbraw/zinc/74/87/76/554748776.db2.gz	ZBYPXJGXLMMFLH-SFHVURJKSA-N	-1	3	363.333	2.231	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]C[C@H](CO)c2ccccc2Cl)c(F)c1	ZINC000514959206	561988937	/nfs/dbraw/zinc/98/89/37/561988937.db2.gz	QIZKSUAXFDWDJB-GFCCVEGCSA-N	-1	3	368.817	2.405	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCc1ccc2n[nH]cc2c1	ZINC000516637509	562052246	/nfs/dbraw/zinc/05/22/46/562052246.db2.gz	RMMKWYKIDDSLBT-UHFFFAOYSA-N	-1	3	363.421	2.444	20	30		FEEDHM
COCCOc1ccc(C#N)cc1[N-]S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1	ZINC000517053611	562073759	/nfs/dbraw/zinc/07/37/59/562073759.db2.gz	OPRUHLWWMUNHLQ-ZIAGYGMSSA-N	-1	3	367.471	2.218	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCO[C@H]2C2CC2)c(C(F)(F)F)c1	ZINC000371217858	557109825	/nfs/dbraw/zinc/10/98/25/557109825.db2.gz	YRRONQDJSWFLOX-JSGCOSHPSA-N	-1	3	360.357	2.423	20	30		FEEDHM
N#Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccc(-n3cncn3)cc2)c1	ZINC000517263306	562083182	/nfs/dbraw/zinc/08/31/82/562083182.db2.gz	FUTADGLKPXTMEA-UHFFFAOYSA-N	-1	3	373.825	2.271	20	30		FEEDHM
CS(=O)(=O)[N-]c1c[nH]nc1[C@@H]1CCCN(CC#Cc2ccccc2)C1	ZINC000375457842	558030707	/nfs/dbraw/zinc/03/07/07/558030707.db2.gz	NPTJTTFDLJMZKH-MRXNPFEDSA-N	-1	3	358.467	2.012	20	30		FEEDHM
N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C[C@H]1COC2(CCCC2)O1	ZINC000376805080	558223667	/nfs/dbraw/zinc/22/36/67/558223667.db2.gz	SIISGGFUOANFBP-NSHDSACASA-N	-1	3	356.831	2.176	20	30		FEEDHM
C[C@@H]1C[C@@H]([N-]S(=O)(=O)Cc2ccc(C#N)cc2)C(=O)N1c1ccccc1	ZINC000377383469	558330389	/nfs/dbraw/zinc/33/03/89/558330389.db2.gz	IPGJLFRQUCEEAQ-RDTXWAMCSA-N	-1	3	369.446	2.172	20	30		FEEDHM
COc1ccc(CC[N-]S(=O)(=O)c2ccc(C#N)s2)cc1OC	ZINC000391559850	558614417	/nfs/dbraw/zinc/61/44/17/558614417.db2.gz	PEFOHKIWTPFHDW-UHFFFAOYSA-N	-1	3	352.437	2.158	20	30		FEEDHM
CC(C)(C)n1ncnc1C[N-]S(=O)(=O)c1cccc(Cl)c1C#N	ZINC000409888530	558724930	/nfs/dbraw/zinc/72/49/30/558724930.db2.gz	VUNQQYPVGBDYJF-UHFFFAOYSA-N	-1	3	353.835	2.037	20	30		FEEDHM
CCN(CCC#N)S(=O)(=O)[N-][C@H](CO)c1c(Cl)cccc1Cl	ZINC000410385325	558754180	/nfs/dbraw/zinc/75/41/80/558754180.db2.gz	BAFHEUDZLPAVDH-GFCCVEGCSA-N	-1	3	366.270	2.097	20	30		FEEDHM
COCCC(C)(C)[N-]S(=O)(=O)c1cc(Br)ccc1C#N	ZINC000416419316	559311714	/nfs/dbraw/zinc/31/17/14/559311714.db2.gz	SJPSFGXNOAMIKQ-UHFFFAOYSA-N	-1	3	361.261	2.414	20	30		FEEDHM
C[C@H]1C[C@@H](C[N-]S(=O)(=O)c2cc(Br)ccc2C#N)CCO1	ZINC000416456567	559314280	/nfs/dbraw/zinc/31/42/80/559314280.db2.gz	WGBNXZFBPIXPNG-QWRGUYRKSA-N	-1	3	373.272	2.414	20	30		FEEDHM
CO[C@H]1CC[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2C#N)C1	ZINC000416468751	559315385	/nfs/dbraw/zinc/31/53/85/559315385.db2.gz	GWMMSJOOXKRZGI-RYUDHWBXSA-N	-1	3	359.245	2.167	20	30		FEEDHM
N#Cc1ccc(Br)cc1S(=O)(=O)[N-][C@@H](CO)C1CCCC1	ZINC000416485092	559316723	/nfs/dbraw/zinc/31/67/23/559316723.db2.gz	YZTOZBNMRREDFJ-ZDUSSCGKSA-N	-1	3	373.272	2.150	20	30		FEEDHM
CC[C@](C)(C[N-]S(=O)(=O)c1cc(Br)ccc1C#N)OC	ZINC000416498515	559317831	/nfs/dbraw/zinc/31/78/31/559317831.db2.gz	VQUGZWUJLXZSFY-CYBMUJFWSA-N	-1	3	361.261	2.414	20	30		FEEDHM
C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1cc(Br)ccc1C#N	ZINC000416499576	559317965	/nfs/dbraw/zinc/31/79/65/559317965.db2.gz	ZGOOAXROUMLNKK-OLZOCXBDSA-N	-1	3	371.256	2.333	20	30		FEEDHM
CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(OC)c(N2CCCCC2=O)c1	ZINC000416939042	559339300	/nfs/dbraw/zinc/33/93/00/559339300.db2.gz	GIVCOFYGELDSIN-ZDUSSCGKSA-N	-1	3	351.428	2.256	20	30		FEEDHM
COCC[C@](C)(C#N)[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F	ZINC000421243962	559533264	/nfs/dbraw/zinc/53/32/64/559533264.db2.gz	FIXYCIXLLNQOMV-CYBMUJFWSA-N	-1	3	352.334	2.024	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(COCCO)cc1	ZINC000425059299	559685621	/nfs/dbraw/zinc/68/56/21/559685621.db2.gz	LOGVHCZZMLMFSP-UHFFFAOYSA-N	-1	3	369.421	2.356	20	30		FEEDHM
CCCNc1ccc(C#N)cc1NC(=O)CNC(=O)c1cccc([O-])c1	ZINC000427468376	559756167	/nfs/dbraw/zinc/75/61/67/559756167.db2.gz	BYUHMLNRGUYVCR-UHFFFAOYSA-N	-1	3	352.394	2.454	20	30		FEEDHM
C=CCN(C(=O)c1cccc2[n-]nnc21)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000527356980	562286351	/nfs/dbraw/zinc/28/63/51/562286351.db2.gz	KOHJOKPHTNKPFW-ZDUSSCGKSA-N	-1	3	374.408	2.323	20	30		FEEDHM
C=CCN(C(=O)c1cccc2nn[n-]c21)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000527356980	562286352	/nfs/dbraw/zinc/28/63/52/562286352.db2.gz	KOHJOKPHTNKPFW-ZDUSSCGKSA-N	-1	3	374.408	2.323	20	30		FEEDHM
C=CCN(C(=O)c1cccc2n[n-]nc21)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000527356980	562286353	/nfs/dbraw/zinc/28/63/53/562286353.db2.gz	KOHJOKPHTNKPFW-ZDUSSCGKSA-N	-1	3	374.408	2.323	20	30		FEEDHM
CCOC(=O)CSc1nnc([N-]C(=O)c2cscc2C#N)s1	ZINC000432680184	559862863	/nfs/dbraw/zinc/86/28/63/559862863.db2.gz	KPSLFHKWSSVMPD-UHFFFAOYSA-N	-1	3	354.438	2.379	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]C[C@H](c2ccco2)N2CCCC2)s1	ZINC000435433994	559922809	/nfs/dbraw/zinc/92/28/09/559922809.db2.gz	QFHOBGOVAAGNCT-CYBMUJFWSA-N	-1	3	351.453	2.328	20	30		FEEDHM
C[C@H](C[N-]S(=O)(=O)c1ccc(C#N)s1)N1CCc2ccccc2C1	ZINC000435434063	559922896	/nfs/dbraw/zinc/92/28/96/559922896.db2.gz	QIJRNGIWPLAZNC-CYBMUJFWSA-N	-1	3	361.492	2.345	20	30		FEEDHM
CN(C)[C@H](C[N-]S(=O)(=O)c1ccc(C#N)s1)c1cccc(F)c1	ZINC000435437013	559923017	/nfs/dbraw/zinc/92/30/17/559923017.db2.gz	IDMJUYWEOVSOSE-CQSZACIVSA-N	-1	3	353.444	2.340	20	30		FEEDHM
CCC1CCC([N-]S(=O)(=O)c2ccc(C#N)s2)(C(=O)OC)CC1	ZINC000435441671	559923191	/nfs/dbraw/zinc/92/31/91/559923191.db2.gz	GXQKLQFKNJZLSO-UHFFFAOYSA-N	-1	3	356.469	2.410	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]c2cc(Br)c[nH]c2=O)s1	ZINC000435503109	559924311	/nfs/dbraw/zinc/92/43/11/559924311.db2.gz	XEXMLGCROXHGOC-UHFFFAOYSA-N	-1	3	360.214	2.284	20	30		FEEDHM
C=CCN(CCc1ccco1)C(=O)C(=O)[N-]c1sccc1C(=O)OC	ZINC000441850543	560039935	/nfs/dbraw/zinc/03/99/35/560039935.db2.gz	OFCUHCVNASCBBF-UHFFFAOYSA-N	-1	3	362.407	2.324	20	30		FEEDHM
N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@H](CO)c1ccc(F)cc1	ZINC000443273002	560077243	/nfs/dbraw/zinc/07/72/43/560077243.db2.gz	NTWZTPOCAHEKBQ-CQSZACIVSA-N	-1	3	354.790	2.363	20	30		FEEDHM
COc1cccc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)n1	ZINC000443363896	560082045	/nfs/dbraw/zinc/08/20/45/560082045.db2.gz	YMEIGSLBTCHFIT-UHFFFAOYSA-N	-1	3	351.815	2.136	20	30		FEEDHM
COc1ccc(C[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)nc1	ZINC000443929558	560096417	/nfs/dbraw/zinc/09/64/17/560096417.db2.gz	PRIXDPAQGWMYBK-UHFFFAOYSA-N	-1	3	371.340	2.459	20	30		FEEDHM
C=CC[C@@H]1N(C(=O)c2ccc(S(=O)(=O)[N-]C)nc2)CCCC1(C)C	ZINC000444634796	560117344	/nfs/dbraw/zinc/11/73/44/560117344.db2.gz	ZXHXUBZGFKOZBM-AWEZNQCLSA-N	-1	3	351.472	2.197	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)CC1(CC#N)CC1)c1nc(Cc2ccccc2)no1	ZINC000451295269	560298633	/nfs/dbraw/zinc/29/86/33/560298633.db2.gz	ZHSYMNUEBBBGTB-CYBMUJFWSA-N	-1	3	360.439	2.335	20	30		FEEDHM
CC[C@H]([N-]S(=O)(=O)c1ccc(CC#N)cc1Cl)[C@@H](O)C(F)(F)F	ZINC000451356591	560302427	/nfs/dbraw/zinc/30/24/27/560302427.db2.gz	FIJCQILXLNBAPG-CMPLNLGQSA-N	-1	3	370.780	2.386	20	30		FEEDHM
CC[C@](C)(C[N-]S(=O)(=O)c1cccc(Br)c1C#N)OC	ZINC000451800223	560329430	/nfs/dbraw/zinc/32/94/30/560329430.db2.gz	ZWTXFGDVSYJRQI-CYBMUJFWSA-N	-1	3	361.261	2.414	20	30		FEEDHM
COC(=O)[C@@H](CC(C)C)N(C)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C	ZINC000452921199	560377898	/nfs/dbraw/zinc/37/78/98/560377898.db2.gz	AWZOIBJKOXVDEH-MRXNPFEDSA-N	-1	3	361.442	2.254	20	30		FEEDHM
N#Cc1cccc(Oc2ccc(NC(=O)c3[nH]c(=O)[n-]c(=O)c3N)cc2)c1	ZINC000469290898	560951831	/nfs/dbraw/zinc/95/18/31/560951831.db2.gz	ULTBARYVBHSWOJ-UHFFFAOYSA-N	-1	3	363.333	2.386	20	30		FEEDHM
C=CCn1c(=O)[n-]nc1SCC(=O)Nc1ccccc1C(=O)OCC	ZINC000470838095	560991221	/nfs/dbraw/zinc/99/12/21/560991221.db2.gz	YSSNGUKZXXOGBL-UHFFFAOYSA-N	-1	3	362.411	2.077	20	30		FEEDHM
CCOC(=O)c1cc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cn1C	ZINC000471254181	561001356	/nfs/dbraw/zinc/00/13/56/561001356.db2.gz	IMSDMOXRWSFVFS-UHFFFAOYSA-N	-1	3	370.409	2.362	20	30		FEEDHM
CS(=O)(=O)[N-]c1cc(C(=O)N(CC#N)C2CC2)cc(C(F)(F)F)c1	ZINC000471853036	561013068	/nfs/dbraw/zinc/01/30/68/561013068.db2.gz	OXSDURMLTVAMIU-UHFFFAOYSA-N	-1	3	361.345	2.205	20	30		FEEDHM
CCOC(=O)[C@@H](Cc1ccccc1Cl)[N-]S(=O)(=O)CCCC#N	ZINC000472732576	561033960	/nfs/dbraw/zinc/03/39/60/561033960.db2.gz	CFMQNAKNVDJFJK-CQSZACIVSA-N	-1	3	358.847	2.037	20	30		FEEDHM
N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](CO)c2ccc(F)cc2)c1	ZINC000475794954	561105512	/nfs/dbraw/zinc/10/55/12/561105512.db2.gz	GWTBULWHIAVGKI-CQSZACIVSA-N	-1	3	354.790	2.363	20	30		FEEDHM
CCCCOCCOCC[N-]S(=O)(=O)c1cc(C#N)ccc1Cl	ZINC000476353718	561117395	/nfs/dbraw/zinc/11/73/95/561117395.db2.gz	VMSRDKLGSSDOOX-UHFFFAOYSA-N	-1	3	360.863	2.323	20	30		FEEDHM
CN(C)c1ccccc1C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000477143986	561137777	/nfs/dbraw/zinc/13/77/77/561137777.db2.gz	YTAUDKDNDPVDKJ-UHFFFAOYSA-N	-1	3	360.395	2.011	20	30		FEEDHM
C[C@H]1CCN(Cc2ccccc2)C[C@@H]1[N-]S(=O)(=O)c1cccnc1C#N	ZINC000528529180	562334286	/nfs/dbraw/zinc/33/42/86/562334286.db2.gz	GWVXGMOPCWXANE-YJBOKZPZSA-N	-1	3	370.478	2.142	20	30		FEEDHM
C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[N-]S(=O)(=O)c1cccc(Br)c1C#N	ZINC000528545431	562335268	/nfs/dbraw/zinc/33/52/68/562335268.db2.gz	XRAKEJRCHFCYRD-LFNDISMMSA-N	-1	3	373.272	2.411	20	30		FEEDHM
Cc1ncc(S(=O)(=O)[N-]C2(c3ccc(C#N)cc3)CCOCC2)s1	ZINC000528553299	562335927	/nfs/dbraw/zinc/33/59/27/562335927.db2.gz	MSWHAXOOHPXNBG-UHFFFAOYSA-N	-1	3	363.464	2.307	20	30		FEEDHM
CC(C)CN1CCCC[C@H]1C[N-]S(=O)(=O)c1ccc(C#N)cc1F	ZINC000533038951	562496511	/nfs/dbraw/zinc/49/65/11/562496511.db2.gz	WJGAJSLFPBMYKE-HNNXBMFYSA-N	-1	3	353.463	2.486	20	30		FEEDHM
CC1(C)CCC([N-]S(=O)(=O)c2ccc(Cl)cc2C#N)(C(N)=O)CC1	ZINC000535355661	562556632	/nfs/dbraw/zinc/55/66/32/562556632.db2.gz	SQUVENOZWBIDNB-UHFFFAOYSA-N	-1	3	369.874	2.314	20	30		FEEDHM
COc1ccccc1[C@@H](CO)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl	ZINC000540939674	562597708	/nfs/dbraw/zinc/59/77/08/562597708.db2.gz	NGBDIMZWNJTFMD-CQSZACIVSA-N	-1	3	366.826	2.232	20	30		FEEDHM
COc1cc(C[N-]S(=O)(=O)c2cnccc2C(F)(F)F)ccc1C#N	ZINC000569055927	568292848	/nfs/dbraw/zinc/29/28/48/568292848.db2.gz	VTCLXDANMLGYLO-UHFFFAOYSA-N	-1	3	371.340	2.459	20	30		FEEDHM
C#CCSCCNC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C	ZINC000735387646	598904740	/nfs/dbraw/zinc/90/47/40/598904740.db2.gz	DHCJYEMKHUSURA-UHFFFAOYSA-N	-1	3	360.443	2.142	20	30		FEEDHM
C#CCSCCNC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C	ZINC000735387646	598904743	/nfs/dbraw/zinc/90/47/43/598904743.db2.gz	DHCJYEMKHUSURA-UHFFFAOYSA-N	-1	3	360.443	2.142	20	30		FEEDHM
C=CCCCCCN(C)C(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC	ZINC000735408487	598907502	/nfs/dbraw/zinc/90/75/02/598907502.db2.gz	MJSJESDQIDLSDB-UHFFFAOYSA-N	-1	3	372.429	2.019	20	30		FEEDHM
C=CCCCCCN(C)C(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC	ZINC000735408487	598907504	/nfs/dbraw/zinc/90/75/04/598907504.db2.gz	MJSJESDQIDLSDB-UHFFFAOYSA-N	-1	3	372.429	2.019	20	30		FEEDHM
N#Cc1cc(NC(=O)C=Cc2ccc3c(c2)OCO3)ccc1-c1nnn[n-]1	ZINC000737705967	598925576	/nfs/dbraw/zinc/92/55/76/598925576.db2.gz	SOKPQGQPDRILPH-QHHAFSJGSA-N	-1	3	360.333	2.119	20	30		FEEDHM
N#Cc1cc(NC(=O)C=Cc2ccc3c(c2)OCO3)ccc1-c1nn[n-]n1	ZINC000737705967	598925578	/nfs/dbraw/zinc/92/55/78/598925578.db2.gz	SOKPQGQPDRILPH-QHHAFSJGSA-N	-1	3	360.333	2.119	20	30		FEEDHM
COc1cccc2c1OCC(C(=O)Nc1ccc(C#N)c(-c3nnn[n-]3)c1)=C2	ZINC000737144083	598926778	/nfs/dbraw/zinc/92/67/78/598926778.db2.gz	ZTQOREIUPHBHBD-UHFFFAOYSA-N	-1	3	374.360	2.161	20	30		FEEDHM
COc1cccc2c1OCC(C(=O)Nc1ccc(C#N)c(-c3nn[n-]n3)c1)=C2	ZINC000737144083	598926780	/nfs/dbraw/zinc/92/67/80/598926780.db2.gz	ZTQOREIUPHBHBD-UHFFFAOYSA-N	-1	3	374.360	2.161	20	30		FEEDHM
Cc1c(NCC(=O)N(C)C2(C#N)CCCCC2)cccc1-c1nnn[n-]1	ZINC000822116758	607258092	/nfs/dbraw/zinc/25/80/92/607258092.db2.gz	XJNJHHFWQOIQCX-UHFFFAOYSA-N	-1	3	353.430	2.272	20	30		FEEDHM
Cc1c(NCC(=O)N(C)C2(C#N)CCCCC2)cccc1-c1nn[n-]n1	ZINC000822116758	607258093	/nfs/dbraw/zinc/25/80/93/607258093.db2.gz	XJNJHHFWQOIQCX-UHFFFAOYSA-N	-1	3	353.430	2.272	20	30		FEEDHM
Cc1cc(C)n([C@H](C)CC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)n1	ZINC000737255349	599192316	/nfs/dbraw/zinc/19/23/16/599192316.db2.gz	HWZMPOBBOKQVDW-GFCCVEGCSA-N	-1	3	350.386	2.142	20	30		FEEDHM
Cc1cc(C)n([C@H](C)CC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)n1	ZINC000737255349	599192317	/nfs/dbraw/zinc/19/23/17/599192317.db2.gz	HWZMPOBBOKQVDW-GFCCVEGCSA-N	-1	3	350.386	2.142	20	30		FEEDHM
Cc1noc(C)c1CSCC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1	ZINC000737536445	599199969	/nfs/dbraw/zinc/19/99/69/599199969.db2.gz	HVXVBVBYMLXOKR-UHFFFAOYSA-N	-1	3	369.410	2.215	20	30		FEEDHM
Cc1noc(C)c1CSCC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1	ZINC000737536445	599199972	/nfs/dbraw/zinc/19/99/72/599199972.db2.gz	HVXVBVBYMLXOKR-UHFFFAOYSA-N	-1	3	369.410	2.215	20	30		FEEDHM
C=CCOc1ccccc1C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1	ZINC000735436878	599216464	/nfs/dbraw/zinc/21/64/64/599216464.db2.gz	SGDHNQVNLWJQLP-UHFFFAOYSA-N	-1	3	365.393	2.240	20	30		FEEDHM
C#CCOc1ccccc1OC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1	ZINC000735388023	598423920	/nfs/dbraw/zinc/42/39/20/598423920.db2.gz	PFMOTMUWRHEGSK-ZDUSSCGKSA-N	-1	3	364.361	2.252	20	30		FEEDHM
C#CCOc1ccc(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1	ZINC000735380613	598513706	/nfs/dbraw/zinc/51/37/06/598513706.db2.gz	KAEYLFGJOUXKAV-UHFFFAOYSA-N	-1	3	366.356	2.340	20	30		FEEDHM
C#CCOc1ccc(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1	ZINC000735380613	598513707	/nfs/dbraw/zinc/51/37/07/598513707.db2.gz	KAEYLFGJOUXKAV-UHFFFAOYSA-N	-1	3	366.356	2.340	20	30		FEEDHM
N#Cc1ccc(OC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)cc1	ZINC000737722694	598570775	/nfs/dbraw/zinc/57/07/75/598570775.db2.gz	XSCRHGMXELRAFV-QGZVFWFLSA-N	-1	3	360.377	2.313	20	30		FEEDHM
CN(Cc1ccc(C#N)cc1)C(=O)CSc1ccc(-c2nnn[n-]2)cc1	ZINC000736816675	598652406	/nfs/dbraw/zinc/65/24/06/598652406.db2.gz	NAIBVOICNNYCJV-UHFFFAOYSA-N	-1	3	364.434	2.489	20	30		FEEDHM
CN(Cc1ccc(C#N)cc1)C(=O)CSc1ccc(-c2nn[n-]n2)cc1	ZINC000736816675	598652407	/nfs/dbraw/zinc/65/24/07/598652407.db2.gz	NAIBVOICNNYCJV-UHFFFAOYSA-N	-1	3	364.434	2.489	20	30		FEEDHM
N#CCCCCNC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F	ZINC000737688853	598782642	/nfs/dbraw/zinc/78/26/42/598782642.db2.gz	YXSLIHCEQZCJAI-UHFFFAOYSA-N	-1	3	351.317	2.283	20	30		FEEDHM
N#CCCCCNC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F	ZINC000737688853	598782641	/nfs/dbraw/zinc/78/26/41/598782641.db2.gz	YXSLIHCEQZCJAI-UHFFFAOYSA-N	-1	3	351.317	2.283	20	30		FEEDHM
N#CCC[C@@H](C#N)CN1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1	ZINC000737684977	598789183	/nfs/dbraw/zinc/78/91/83/598789183.db2.gz	RNRNWXIMLIKKND-AWEZNQCLSA-N	-1	3	351.414	2.153	20	30		FEEDHM
N#Cc1ccc(CC(=O)Nc2ccnn2-c2ccc(-c3nn[n-]n3)cc2)cc1	ZINC000737711205	598806769	/nfs/dbraw/zinc/80/67/69/598806769.db2.gz	HSLOIOKDQARCOX-UHFFFAOYSA-N	-1	3	370.376	2.105	20	30		FEEDHM
N#C[C@H](c1ccccc1)N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1	ZINC000822801987	599342978	/nfs/dbraw/zinc/34/29/78/599342978.db2.gz	SRNOXQPBQITYOL-QGZVFWFLSA-N	-1	3	363.400	2.393	20	30		FEEDHM
N#C[C@H](c1ccccc1)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1	ZINC000822801987	599342980	/nfs/dbraw/zinc/34/29/80/599342980.db2.gz	SRNOXQPBQITYOL-QGZVFWFLSA-N	-1	3	363.400	2.393	20	30		FEEDHM
C=CCOc1ccc(OS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)cc1	ZINC000819759283	599371401	/nfs/dbraw/zinc/37/14/01/599371401.db2.gz	RYBDUSYZYWCYNI-UHFFFAOYSA-N	-1	3	358.379	2.199	20	30		FEEDHM
C=CCOc1ccc(OS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)cc1	ZINC000819759283	599371404	/nfs/dbraw/zinc/37/14/04/599371404.db2.gz	RYBDUSYZYWCYNI-UHFFFAOYSA-N	-1	3	358.379	2.199	20	30		FEEDHM
Cc1cc(C#N)cc(C)c1OCC(=O)NCc1cccc(-c2nnn[n-]2)c1	ZINC000822161046	599389497	/nfs/dbraw/zinc/38/94/97/599389497.db2.gz	NXBYKYMXBKGGOA-UHFFFAOYSA-N	-1	3	362.393	2.050	20	30		FEEDHM
Cc1cc(C#N)cc(C)c1OCC(=O)NCc1cccc(-c2nn[n-]n2)c1	ZINC000822161046	599389499	/nfs/dbraw/zinc/38/94/99/599389499.db2.gz	NXBYKYMXBKGGOA-UHFFFAOYSA-N	-1	3	362.393	2.050	20	30		FEEDHM
COc1ccc(NC(=O)C(C#N)C(=O)CCSCC(=O)[O-])cc1Cl	ZINC000738027091	599799071	/nfs/dbraw/zinc/79/90/71/599799071.db2.gz	UZQOWKHZGZWSFD-JTQLQIEISA-N	-1	3	370.814	2.204	20	30		FEEDHM
C=CCNc1nc(C(=O)OCc2cc(-c3nn[n-]n3)ccc2OC)cs1	ZINC000819750256	607410168	/nfs/dbraw/zinc/41/01/68/607410168.db2.gz	BJJXIXYIDQLUIZ-UHFFFAOYSA-N	-1	3	372.410	2.287	20	30		FEEDHM
COc1ccc(-c2nnn[n-]2)cc1COC(=O)c1c(F)cc(C#N)cc1F	ZINC000821745019	607420174	/nfs/dbraw/zinc/42/01/74/607420174.db2.gz	AAVMAOSACHWIKG-UHFFFAOYSA-N	-1	3	371.303	2.382	20	30		FEEDHM
COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1c(F)cc(C#N)cc1F	ZINC000821745019	607420175	/nfs/dbraw/zinc/42/01/75/607420175.db2.gz	AAVMAOSACHWIKG-UHFFFAOYSA-N	-1	3	371.303	2.382	20	30		FEEDHM
C[C@H](Oc1ccccc1C#N)C(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1	ZINC000824756501	607420774	/nfs/dbraw/zinc/42/07/74/607420774.db2.gz	OHLCTNGEEBHYJZ-ZDUSSCGKSA-N	-1	3	374.404	2.311	20	30		FEEDHM
C[C@H](Oc1ccccc1C#N)C(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1	ZINC000824756501	607420776	/nfs/dbraw/zinc/42/07/76/607420776.db2.gz	OHLCTNGEEBHYJZ-ZDUSSCGKSA-N	-1	3	374.404	2.311	20	30		FEEDHM
Cc1occc1C(=O)NC1CCN([C@H](C(=O)[O-])c2ccc(C#N)cc2)CC1	ZINC000738986892	600567985	/nfs/dbraw/zinc/56/79/85/600567985.db2.gz	UYQHYWWIJJPEBD-SFHVURJKSA-N	-1	3	367.405	2.480	20	30		FEEDHM
N#Cc1ccc([C@H](NCc2ccccc2CN2CCOCC2)C(=O)[O-])cc1	ZINC000739108961	600592018	/nfs/dbraw/zinc/59/20/18/600592018.db2.gz	ZDXRSBMTJMEBAW-FQEVSTJZSA-N	-1	3	365.433	2.306	20	30		FEEDHM
N#Cc1ccc([C@@H](NCCCS(=O)(=O)c2ccccc2)C(=O)[O-])cc1	ZINC000739108044	600596931	/nfs/dbraw/zinc/59/69/31/600596931.db2.gz	SNAPHLZQDCXDAX-QGZVFWFLSA-N	-1	3	358.419	2.138	20	30		FEEDHM
COc1ccccc1NC(=S)NN=Cc1ccc(-c2nnn[n-]2)cc1F	ZINC000821897146	607463316	/nfs/dbraw/zinc/46/33/16/607463316.db2.gz	DUCSABHIOLDLOP-UHFFFAOYSA-N	-1	3	371.401	2.335	20	30		FEEDHM
COc1ccccc1NC(=S)NN=Cc1ccc(-c2nn[n-]n2)cc1F	ZINC000821897146	607463318	/nfs/dbraw/zinc/46/33/18/607463318.db2.gz	DUCSABHIOLDLOP-UHFFFAOYSA-N	-1	3	371.401	2.335	20	30		FEEDHM
Fc1cc(-c2nnn[n-]2)ccc1C=NNC(=S)NCc1ccccc1	ZINC000822739658	607463945	/nfs/dbraw/zinc/46/39/45/607463945.db2.gz	BHDDQMSIJNDGLR-UHFFFAOYSA-N	-1	3	355.402	2.004	20	30		FEEDHM
Fc1cc(-c2nn[n-]n2)ccc1C=NNC(=S)NCc1ccccc1	ZINC000822739658	607463946	/nfs/dbraw/zinc/46/39/46/607463946.db2.gz	BHDDQMSIJNDGLR-UHFFFAOYSA-N	-1	3	355.402	2.004	20	30		FEEDHM
C[C@@H](NC(=O)[O-])[C@H]1CCCCN1CCC(=O)Nc1sccc1C#N	ZINC000739011644	602266372	/nfs/dbraw/zinc/26/63/72/602266372.db2.gz	QJZXROVIEFPKRB-DGCLKSJQSA-N	-1	3	350.444	2.459	20	30		FEEDHM
C=C(C)CN1CCC(NC(=O)NCC2(NC(=O)[O-])CCCCC2)CC1	ZINC000738485910	602680236	/nfs/dbraw/zinc/68/02/36/602680236.db2.gz	WSSTUMGCARBICC-UHFFFAOYSA-N	-1	3	352.479	2.297	20	30		FEEDHM
O=C(COc1ccc(-c2nn[n-]n2)cc1)OCC#Cc1ccccc1Cl	ZINC000826417133	607596625	/nfs/dbraw/zinc/59/66/25/607596625.db2.gz	FMYYMVMCPWALJW-UHFFFAOYSA-N	-1	3	368.780	2.494	20	30		FEEDHM
C=CCNc1nc(C(=O)OCc2ccc(OC)c(-c3nnn[n-]3)c2)cs1	ZINC000823925510	607596675	/nfs/dbraw/zinc/59/66/75/607596675.db2.gz	LFDZXNZMEDKWMF-UHFFFAOYSA-N	-1	3	372.410	2.287	20	30		FEEDHM
C=CCNc1nc(C(=O)OCc2ccc(OC)c(-c3nn[n-]n3)c2)cs1	ZINC000823925510	607596676	/nfs/dbraw/zinc/59/66/76/607596676.db2.gz	LFDZXNZMEDKWMF-UHFFFAOYSA-N	-1	3	372.410	2.287	20	30		FEEDHM
COc1ccc(COC(=O)c2ccccc2OCC#N)cc1-c1nnn[n-]1	ZINC000826206087	607604824	/nfs/dbraw/zinc/60/48/24/607604824.db2.gz	CDDQAILFUHJUNY-UHFFFAOYSA-N	-1	3	365.349	2.135	20	30		FEEDHM
COc1ccc(COC(=O)c2ccccc2OCC#N)cc1-c1nn[n-]n1	ZINC000826206087	607604826	/nfs/dbraw/zinc/60/48/26/607604826.db2.gz	CDDQAILFUHJUNY-UHFFFAOYSA-N	-1	3	365.349	2.135	20	30		FEEDHM
Cc1csc(=NCC(F)(F)F)n1N=Cc1cccc(-c2nnn[n-]2)c1	ZINC000826320685	607634093	/nfs/dbraw/zinc/63/40/93/607634093.db2.gz	ZVMLVNKBWJOERW-UHFFFAOYSA-N	-1	3	367.360	2.383	20	30		FEEDHM
Cc1csc(=NCC(F)(F)F)n1N=Cc1cccc(-c2nn[n-]n2)c1	ZINC000826320685	607634094	/nfs/dbraw/zinc/63/40/94/607634094.db2.gz	ZVMLVNKBWJOERW-UHFFFAOYSA-N	-1	3	367.360	2.383	20	30		FEEDHM
CN(CC(=O)C(C#N)c1nc2ccccc2s1)[C@H]1CCN(C(=O)[O-])C1	ZINC000828086220	603534324	/nfs/dbraw/zinc/53/43/24/603534324.db2.gz	QGASMWJAEDVPAK-RYUDHWBXSA-N	-1	3	358.423	2.157	20	30		FEEDHM
C=C(C)CN1CCC(NC(=O)N2CCc3ccc(C(=O)[O-])cc3C2)CC1	ZINC000833369301	604811891	/nfs/dbraw/zinc/81/18/91/604811891.db2.gz	PUUZUTWUGRRYPH-UHFFFAOYSA-N	-1	3	357.454	2.493	20	30		FEEDHM
C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)c1ccc(C#N)s1	ZINC000820293481	606178148	/nfs/dbraw/zinc/17/81/48/606178148.db2.gz	KOLUBKCSCNNMIF-SNVBAGLBSA-N	-1	3	355.379	2.424	20	30		FEEDHM
C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)c1ccc(C#N)s1	ZINC000820293481	606178149	/nfs/dbraw/zinc/17/81/49/606178149.db2.gz	KOLUBKCSCNNMIF-SNVBAGLBSA-N	-1	3	355.379	2.424	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)CCSc2ccccc2-c2nnn[n-]2)cc1	ZINC000822832952	606330678	/nfs/dbraw/zinc/33/06/78/606330678.db2.gz	JZIMIRPKCKALAJ-UHFFFAOYSA-N	-1	3	371.447	2.304	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)CCSc2ccccc2-c2nn[n-]n2)cc1	ZINC000822832952	606330679	/nfs/dbraw/zinc/33/06/79/606330679.db2.gz	JZIMIRPKCKALAJ-UHFFFAOYSA-N	-1	3	371.447	2.304	20	30		FEEDHM
C=CCNC(=O)c1ccccc1NC(=O)c1cc(-c2nnn[n-]2)cs1	ZINC000819751006	606484319	/nfs/dbraw/zinc/48/43/19/606484319.db2.gz	LPEPGZOPBGEJRX-UHFFFAOYSA-N	-1	3	354.395	2.096	20	30		FEEDHM
C=CCNC(=O)c1ccccc1NC(=O)c1cc(-c2nn[n-]n2)cs1	ZINC000819751006	606484321	/nfs/dbraw/zinc/48/43/21/606484321.db2.gz	LPEPGZOPBGEJRX-UHFFFAOYSA-N	-1	3	354.395	2.096	20	30		FEEDHM
O=C(NCC#Cc1ccc(C(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)cn1	ZINC000823161031	606530319	/nfs/dbraw/zinc/53/03/19/606530319.db2.gz	KBUZRLAMEXIWRR-UHFFFAOYSA-N	-1	3	372.310	2.062	20	30		FEEDHM
O=C(NCC#Cc1ccc(C(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)cn1	ZINC000823161031	606530320	/nfs/dbraw/zinc/53/03/20/606530320.db2.gz	KBUZRLAMEXIWRR-UHFFFAOYSA-N	-1	3	372.310	2.062	20	30		FEEDHM
C=CCC(CC=C)C(=O)O[C@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O	ZINC000819734289	607002511	/nfs/dbraw/zinc/00/25/11/607002511.db2.gz	KZQFSZNDOFLXRI-ZDUSSCGKSA-N	-1	3	373.438	2.345	20	30		FEEDHM
C=CCC(CC=C)C(=O)O[C@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O	ZINC000819734289	607002513	/nfs/dbraw/zinc/00/25/13/607002513.db2.gz	KZQFSZNDOFLXRI-ZDUSSCGKSA-N	-1	3	373.438	2.345	20	30		FEEDHM
C[C@H](Oc1ccccc1C#N)C(=O)OCc1cc(F)ccc1-c1nnn[n-]1	ZINC000820548530	607076471	/nfs/dbraw/zinc/07/64/71/607076471.db2.gz	BLWXEADAHVYTGC-NSHDSACASA-N	-1	3	367.340	2.388	20	30		FEEDHM
C[C@H](Oc1ccccc1C#N)C(=O)OCc1cc(F)ccc1-c1nn[n-]n1	ZINC000820548530	607076472	/nfs/dbraw/zinc/07/64/72/607076472.db2.gz	BLWXEADAHVYTGC-NSHDSACASA-N	-1	3	367.340	2.388	20	30		FEEDHM
N#CCCNC(=O)CNc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1	ZINC000822810348	607126272	/nfs/dbraw/zinc/12/62/72/607126272.db2.gz	GFGIBAJGGAGDQX-UHFFFAOYSA-N	-1	3	363.381	2.101	20	30		FEEDHM
N#CCCNC(=O)CNc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1	ZINC000822810348	607126274	/nfs/dbraw/zinc/12/62/74/607126274.db2.gz	GFGIBAJGGAGDQX-UHFFFAOYSA-N	-1	3	363.381	2.101	20	30		FEEDHM
N#Cc1cc(-c2nnn[n-]2)c(SCCc2ccc(F)c(F)c2)nc1N	ZINC000822819376	607222283	/nfs/dbraw/zinc/22/22/83/607222283.db2.gz	RMRCKNKNUYMSFD-UHFFFAOYSA-N	-1	3	359.365	2.329	20	30		FEEDHM
N#Cc1cc(-c2nn[n-]n2)c(SCCc2ccc(F)c(F)c2)nc1N	ZINC000822819376	607222284	/nfs/dbraw/zinc/22/22/84/607222284.db2.gz	RMRCKNKNUYMSFD-UHFFFAOYSA-N	-1	3	359.365	2.329	20	30		FEEDHM
CC1(C)c2cc(C(=O)Nc3ccc(-c4nnn[n-]4)c(C#N)c3)ccc2NC1=O	ZINC000820576879	607237875	/nfs/dbraw/zinc/23/78/75/607237875.db2.gz	ALSPETOURUFAAE-UHFFFAOYSA-N	-1	3	373.376	2.220	20	30		FEEDHM
CC1(C)c2cc(C(=O)Nc3ccc(-c4nn[n-]n4)c(C#N)c3)ccc2NC1=O	ZINC000820576879	607237876	/nfs/dbraw/zinc/23/78/76/607237876.db2.gz	ALSPETOURUFAAE-UHFFFAOYSA-N	-1	3	373.376	2.220	20	30		FEEDHM
Cc1nn(C)cc1C=CC(=O)c1cnn(-c2ccc(-c3nn[n-]n3)cc2)c1C	ZINC000826334417	607884692	/nfs/dbraw/zinc/88/46/92/607884692.db2.gz	UHWDANITOQXNSV-RMKNXTFCSA-N	-1	3	374.408	2.299	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CCc1cnn(C)c1C	ZINC000823909539	607979290	/nfs/dbraw/zinc/97/92/90/607979290.db2.gz	IHUCTNXVYGCKOF-UHFFFAOYSA-N	-1	3	365.441	2.056	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CCc1cnn(C)c1C	ZINC000823909539	607979291	/nfs/dbraw/zinc/97/92/91/607979291.db2.gz	IHUCTNXVYGCKOF-UHFFFAOYSA-N	-1	3	365.441	2.056	20	30		FEEDHM
C[C@@H](NC(=O)Cc1cccc(OCC#N)c1)c1cccc(-c2nnn[n-]2)c1	ZINC000824478224	608025679	/nfs/dbraw/zinc/02/56/79/608025679.db2.gz	FYKQEBTWYYAMFQ-CYBMUJFWSA-N	-1	3	362.393	2.189	20	30		FEEDHM
C[C@@H](NC(=O)Cc1cccc(OCC#N)c1)c1cccc(-c2nn[n-]n2)c1	ZINC000824478224	608025680	/nfs/dbraw/zinc/02/56/80/608025680.db2.gz	FYKQEBTWYYAMFQ-CYBMUJFWSA-N	-1	3	362.393	2.189	20	30		FEEDHM
N#Cc1cc(NC(=O)c2cccc([C@@H]3CCOC3)c2)ccc1-c1nnn[n-]1	ZINC000826384001	608064927	/nfs/dbraw/zinc/06/49/27/608064927.db2.gz	BKUATXCRYYJQPO-CQSZACIVSA-N	-1	3	360.377	2.495	20	30		FEEDHM
N#Cc1cc(NC(=O)c2cccc([C@@H]3CCOC3)c2)ccc1-c1nn[n-]n1	ZINC000826384001	608064928	/nfs/dbraw/zinc/06/49/28/608064928.db2.gz	BKUATXCRYYJQPO-CQSZACIVSA-N	-1	3	360.377	2.495	20	30		FEEDHM
N#Cc1cc(F)ccc1CN1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1	ZINC000826384219	608069276	/nfs/dbraw/zinc/06/92/76/608069276.db2.gz	LWRKNIZCKXGIKG-GOSISDBHSA-N	-1	3	364.384	2.451	20	30		FEEDHM
N#Cc1cc(F)ccc1CN1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1	ZINC000826384219	608069277	/nfs/dbraw/zinc/06/92/77/608069277.db2.gz	LWRKNIZCKXGIKG-GOSISDBHSA-N	-1	3	364.384	2.451	20	30		FEEDHM
CCN(C[C@H](C)C#N)[C@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2	ZINC000825399262	608154322	/nfs/dbraw/zinc/15/43/22/608154322.db2.gz	NUNBHRCHUMORBH-GHMZBOCLSA-N	-1	3	373.486	2.225	20	30		FEEDHM
CCN(C[C@H](C)C#N)[C@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2	ZINC000825399262	608154323	/nfs/dbraw/zinc/15/43/23/608154323.db2.gz	NUNBHRCHUMORBH-GHMZBOCLSA-N	-1	3	373.486	2.225	20	30		FEEDHM
CCN(C(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccc(C#N)c(Cl)c1	ZINC000825379784	608345584	/nfs/dbraw/zinc/34/55/84/608345584.db2.gz	KWACQCPNVAWVAT-UHFFFAOYSA-N	-1	3	353.773	2.453	20	30		FEEDHM
CCN(C(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccc(C#N)c(Cl)c1	ZINC000825379784	608345586	/nfs/dbraw/zinc/34/55/86/608345586.db2.gz	KWACQCPNVAWVAT-UHFFFAOYSA-N	-1	3	353.773	2.453	20	30		FEEDHM
C=CCOc1cccnc1C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1	ZINC000823932144	608457211	/nfs/dbraw/zinc/45/72/11/608457211.db2.gz	PWSKTBJVDZCPBA-UHFFFAOYSA-N	-1	3	355.329	2.323	20	30		FEEDHM
C=CCOc1cccnc1C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1	ZINC000823932144	608457212	/nfs/dbraw/zinc/45/72/12/608457212.db2.gz	PWSKTBJVDZCPBA-UHFFFAOYSA-N	-1	3	355.329	2.323	20	30		FEEDHM
C#Cc1ccc(C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)nc1	ZINC000823861493	608486133	/nfs/dbraw/zinc/48/61/33/608486133.db2.gz	KIGFMKNKANMRIL-UHFFFAOYSA-N	-1	3	356.389	2.173	20	30		FEEDHM
C#Cc1ccc(C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)nc1	ZINC000823861493	608486135	/nfs/dbraw/zinc/48/61/35/608486135.db2.gz	KIGFMKNKANMRIL-UHFFFAOYSA-N	-1	3	356.389	2.173	20	30		FEEDHM
C=CC[C@@H](CO)CNC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1	ZINC000823888809	608561740	/nfs/dbraw/zinc/56/17/40/608561740.db2.gz	XGAARHGLFVPALO-CQSZACIVSA-N	-1	3	363.421	2.448	20	30		FEEDHM
C=CC[C@@H](CO)CNC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1	ZINC000823888809	608561741	/nfs/dbraw/zinc/56/17/41/608561741.db2.gz	XGAARHGLFVPALO-CQSZACIVSA-N	-1	3	363.421	2.448	20	30		FEEDHM
N#Cc1ccc(N2CCN(Cc3cc(-c4nnn[n-]4)cs3)CC2)c(F)c1	ZINC000826385299	608640858	/nfs/dbraw/zinc/64/08/58/608640858.db2.gz	GAFNPGDIWLJWCI-UHFFFAOYSA-N	-1	3	369.429	2.261	20	30		FEEDHM
N#Cc1ccc(N2CCN(Cc3cc(-c4nn[n-]n4)cs3)CC2)c(F)c1	ZINC000826385299	608640859	/nfs/dbraw/zinc/64/08/59/608640859.db2.gz	GAFNPGDIWLJWCI-UHFFFAOYSA-N	-1	3	369.429	2.261	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2cccc(Br)n2)cc1-c1nnn[n-]1	ZINC000826385324	608831502	/nfs/dbraw/zinc/83/15/02/608831502.db2.gz	HGUZGKZSNGHXJU-UHFFFAOYSA-N	-1	3	370.170	2.148	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2cccc(Br)n2)cc1-c1nn[n-]n1	ZINC000826385324	608831503	/nfs/dbraw/zinc/83/15/03/608831503.db2.gz	HGUZGKZSNGHXJU-UHFFFAOYSA-N	-1	3	370.170	2.148	20	30		FEEDHM
C#CCCCCCC(=O)O[C@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1	ZINC000823842014	609133392	/nfs/dbraw/zinc/13/33/92/609133392.db2.gz	XGANHTFRWXFIEP-CYBMUJFWSA-N	-1	3	355.398	2.321	20	30		FEEDHM
C#CCCCCCC(=O)O[C@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1	ZINC000823842014	609133393	/nfs/dbraw/zinc/13/33/93/609133393.db2.gz	XGANHTFRWXFIEP-CYBMUJFWSA-N	-1	3	355.398	2.321	20	30		FEEDHM
CN(C(=O)Cc1ccccc1CC#N)c1ccc(-c2nnn[n-]2)cc1F	ZINC000825820406	609181784	/nfs/dbraw/zinc/18/17/84/609181784.db2.gz	DHVLRTSWUXBPHL-UHFFFAOYSA-N	-1	3	350.357	2.277	20	30		FEEDHM
CN(C(=O)Cc1ccccc1CC#N)c1ccc(-c2nn[n-]n2)cc1F	ZINC000825820406	609181786	/nfs/dbraw/zinc/18/17/86/609181786.db2.gz	DHVLRTSWUXBPHL-UHFFFAOYSA-N	-1	3	350.357	2.277	20	30		FEEDHM
N#CC1(c2ccc(C(=O)NCc3ccc(-c4nnn[n-]4)cc3F)cc2)CC1	ZINC000826379965	609185760	/nfs/dbraw/zinc/18/57/60/609185760.db2.gz	ILGQXEOYVXMMKN-UHFFFAOYSA-N	-1	3	362.368	2.491	20	30		FEEDHM
N#CC1(c2ccc(C(=O)NCc3ccc(-c4nn[n-]n4)cc3F)cc2)CC1	ZINC000826379965	609185761	/nfs/dbraw/zinc/18/57/61/609185761.db2.gz	ILGQXEOYVXMMKN-UHFFFAOYSA-N	-1	3	362.368	2.491	20	30		FEEDHM
COC[C@@H](C)NN=Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1	ZINC000826149697	609306087	/nfs/dbraw/zinc/30/60/87/609306087.db2.gz	MYJPHDVAIIHYKD-CQSZACIVSA-N	-1	3	366.425	2.404	20	30		FEEDHM
COC[C@@H](C)NN=Cc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1	ZINC000826149697	609306088	/nfs/dbraw/zinc/30/60/88/609306088.db2.gz	MYJPHDVAIIHYKD-CQSZACIVSA-N	-1	3	366.425	2.404	20	30		FEEDHM
CC[C@H](C)n1nc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1C	ZINC000825080875	609320894	/nfs/dbraw/zinc/32/08/94/609320894.db2.gz	CMQNJQHUMNVYAS-JTQLQIEISA-N	-1	3	350.386	2.467	20	30		FEEDHM
CC[C@H](C)n1nc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1C	ZINC000825080875	609320896	/nfs/dbraw/zinc/32/08/96/609320896.db2.gz	CMQNJQHUMNVYAS-JTQLQIEISA-N	-1	3	350.386	2.467	20	30		FEEDHM
Cc1ccc(F)cc1C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1	ZINC000826289531	609387106	/nfs/dbraw/zinc/38/71/06/609387106.db2.gz	DOWGADPYSWOJKL-UHFFFAOYSA-N	-1	3	350.313	2.007	20	30		FEEDHM
Cc1ccc(F)cc1C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1	ZINC000826289531	609387107	/nfs/dbraw/zinc/38/71/07/609387107.db2.gz	DOWGADPYSWOJKL-UHFFFAOYSA-N	-1	3	350.313	2.007	20	30		FEEDHM
N#Cc1ccc(O[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)cc1	ZINC000826386203	609428672	/nfs/dbraw/zinc/42/86/72/609428672.db2.gz	UBVXLDPPQXNKSV-QGZVFWFLSA-N	-1	3	360.377	2.313	20	30		FEEDHM
N#Cc1ccc(O[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)cc1	ZINC000826386203	609428673	/nfs/dbraw/zinc/42/86/73/609428673.db2.gz	UBVXLDPPQXNKSV-QGZVFWFLSA-N	-1	3	360.377	2.313	20	30		FEEDHM
N#CCCCNC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1	ZINC000826381634	609516146	/nfs/dbraw/zinc/51/61/46/609516146.db2.gz	SOMWTCPJNUAHIG-UHFFFAOYSA-N	-1	3	352.354	2.072	20	30		FEEDHM
C#CCCCCCC(=O)N(CCOC)Cc1ccc(-c2nnn[n-]2)cc1	ZINC000823840886	609523015	/nfs/dbraw/zinc/52/30/15/609523015.db2.gz	GHVDAHHLEYUVQC-UHFFFAOYSA-N	-1	3	355.442	2.425	20	30		FEEDHM
C#CCCCCCC(=O)N(CCOC)Cc1ccc(-c2nn[n-]n2)cc1	ZINC000823840886	609523017	/nfs/dbraw/zinc/52/30/17/609523017.db2.gz	GHVDAHHLEYUVQC-UHFFFAOYSA-N	-1	3	355.442	2.425	20	30		FEEDHM
CCc1c(C(=O)N[C@H]2CCCN([O-])C2=O)cnn1-c1cccc(Cl)c1	ZINC000816755104	675077637	/nfs/dbraw/zinc/07/76/37/675077637.db2.gz	SSRPSNCAFRLXJY-AWEZNQCLSA-N	-1	3	362.817	2.198	20	30		FEEDHM
Cc1nc(COc2cccc(C(=O)N[C@H]3CCCN([O-])C3=O)c2)cs1	ZINC000816757605	675078040	/nfs/dbraw/zinc/07/80/40/675078040.db2.gz	WXMHFUIVPAREHS-HNNXBMFYSA-N	-1	3	361.423	2.141	20	30		FEEDHM
COc1cc(C(=O)N[C@H]2CCCN([O-])C2=O)ccc1OCCC(C)C	ZINC000816757591	675078115	/nfs/dbraw/zinc/07/81/15/675078115.db2.gz	WMYMTQZVOXDVLO-AWEZNQCLSA-N	-1	3	350.415	2.230	20	30		FEEDHM
C=CCCCN(C)C(=O)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F	ZINC000076650562	670553026	/nfs/dbraw/zinc/55/30/26/670553026.db2.gz	DAFYDHXEDARLBR-UHFFFAOYSA-N	-1	3	358.410	2.444	20	30		FEEDHM
COCc1nc(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)cs1	ZINC000573731264	671158009	/nfs/dbraw/zinc/15/80/09/671158009.db2.gz	FJJZSLAHNLRSEL-UHFFFAOYSA-N	-1	3	357.844	2.293	20	30		FEEDHM
COc1cc(C[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])ccc1C#N	ZINC000573847295	671171873	/nfs/dbraw/zinc/17/18/73/671171873.db2.gz	UBAVJNQEBSCSOK-UHFFFAOYSA-N	-1	3	361.379	2.262	20	30		FEEDHM
COC(=O)c1ccc(S(=O)(=O)[N-][C@@]2(C#N)CCC[C@@H](C)C2)c(F)c1	ZINC000577160052	671421034	/nfs/dbraw/zinc/42/10/34/671421034.db2.gz	GSHQAAPUGPUOBK-BZNIZROVSA-N	-1	3	354.403	2.363	20	30		FEEDHM
COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]CCc1cccc(C#N)c1	ZINC000580656194	671823142	/nfs/dbraw/zinc/82/31/42/671823142.db2.gz	PWZBEFGJLGPCOZ-UHFFFAOYSA-N	-1	3	362.382	2.005	20	30		FEEDHM
COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)c2cccc(C#N)c2)s1	ZINC000610339427	675967265	/nfs/dbraw/zinc/96/72/65/675967265.db2.gz	UNJFCDBTVTWZSU-SNVBAGLBSA-N	-1	3	350.421	2.446	20	30		FEEDHM
COC(=O)c1csc(S(=O)(=O)[N-][C@H](C)c2cccc(C#N)c2)c1	ZINC000610339321	675967428	/nfs/dbraw/zinc/96/74/28/675967428.db2.gz	PQUKJEOWQBCIFS-SNVBAGLBSA-N	-1	3	350.421	2.446	20	30		FEEDHM
C[C@@H](C#N)NC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl	ZINC000125826563	672017267	/nfs/dbraw/zinc/01/72/67/672017267.db2.gz	ZIPIYGPDHVWTCX-ZETCQYMHSA-N	-1	3	362.238	2.076	20	30		FEEDHM
COC(=O)c1sc2[n-]c(CN3CCC[C@@](C)(C#N)C3)nc(=O)c2c1C	ZINC000612158041	676071696	/nfs/dbraw/zinc/07/16/96/676071696.db2.gz	HIBNWVVNUFCXNN-KRWDZBQOSA-N	-1	3	360.439	2.205	20	30		FEEDHM
COc1cc(C[N-]S(=O)(=O)c2ccsc2C#N)cc(OC)c1OC	ZINC000593525385	672933341	/nfs/dbraw/zinc/93/33/41/672933341.db2.gz	DJQLEPHWWDDZJY-UHFFFAOYSA-N	-1	3	368.436	2.124	20	30		FEEDHM
COC(=O)c1cc(C#N)ccc1S(=O)(=O)[N-]C[C@H](C)CC(F)(F)F	ZINC000593606434	672956533	/nfs/dbraw/zinc/95/65/33/672956533.db2.gz	FRBUTQPTAXBMTL-SECBINFHSA-N	-1	3	364.345	2.212	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(-c2nc(C[C@H](C)COC)no2)ccc1F	ZINC000351471605	673141585	/nfs/dbraw/zinc/14/15/85/673141585.db2.gz	ZQULOXWOJDQUFZ-NSHDSACASA-N	-1	3	369.418	2.165	20	30		FEEDHM
CSc1ccc([O-])c(C(=O)N2CCN(c3ncccc3C#N)CC2)c1	ZINC000596693756	673405052	/nfs/dbraw/zinc/40/50/52/673405052.db2.gz	IDWOCCYBNDLJKG-UHFFFAOYSA-N	-1	3	354.435	2.343	20	30		FEEDHM
COCc1cccc(C=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)c1	ZINC000743437848	673759875	/nfs/dbraw/zinc/75/98/75/673759875.db2.gz	XXKUKYOOGJMIKI-UHFFFAOYSA-N	-1	3	363.395	2.195	20	30		FEEDHM
Cc1c(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)nnn1C	ZINC000744030519	673779767	/nfs/dbraw/zinc/77/97/67/673779767.db2.gz	HARFFOYHQPCEPM-SECBINFHSA-N	-1	3	352.181	2.392	20	30		FEEDHM
COc1cc(C#N)ccc1OCCSc1nc2c(cnn2C)c(=O)[n-]1	ZINC000600587877	673780897	/nfs/dbraw/zinc/78/08/97/673780897.db2.gz	SOXFSIQIEKBVQG-UHFFFAOYSA-N	-1	3	357.395	2.120	20	30		FEEDHM
CC(=NNc1nccn(C)c1=O)c1cc(Br)c(F)cc1[O-]	ZINC000746576969	673884302	/nfs/dbraw/zinc/88/43/02/673884302.db2.gz	DFGWGFILYFCZEE-UHFFFAOYSA-N	-1	3	355.167	2.224	20	30		FEEDHM
COc1ccccc1[C@@H](CO)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl	ZINC000548447437	673959141	/nfs/dbraw/zinc/95/91/41/673959141.db2.gz	HGCLKYYNXQVVNA-CQSZACIVSA-N	-1	3	366.826	2.232	20	30		FEEDHM
N#C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2cnc(Cl)c(Br)c2)C1	ZINC000819900059	675321642	/nfs/dbraw/zinc/32/16/42/675321642.db2.gz	HNKWFLUTOKTLPU-JGVFFNPUSA-N	-1	3	364.652	2.468	20	30		FEEDHM
CCOc1ccc([C@@]2(C(=O)N[C@H]3CCN([O-])C3=O)CC2(Cl)Cl)cc1	ZINC000820120573	675337355	/nfs/dbraw/zinc/33/73/55/675337355.db2.gz	QSLLLLKDZWOBJF-SWLSCSKDSA-N	-1	3	373.236	2.007	20	30		FEEDHM
O=C(N[C@@H]1CCN([O-])C1=O)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1	ZINC000820178761	675341582	/nfs/dbraw/zinc/34/15/82/675341582.db2.gz	AHOMDIFLHDJCTN-YRGRVCCFSA-N	-1	3	357.435	2.452	20	30		FEEDHM
O=C(N[C@@H]1CCN([O-])C1=O)C1(c2cc(C(F)(F)F)ccc2Cl)CC1	ZINC000820180497	675341592	/nfs/dbraw/zinc/34/15/92/675341592.db2.gz	ZNFAAFSXEDOYNP-LLVKDONJSA-N	-1	3	362.735	2.497	20	30		FEEDHM
Cc1ccc2[nH]c(C(=O)N[C@H]3CCCN([O-])C3=O)cc2c1Br	ZINC000820544496	675368727	/nfs/dbraw/zinc/36/87/27/675368727.db2.gz	MECVDSIJUSHHAB-NSHDSACASA-N	-1	3	366.215	2.349	20	30		FEEDHM
COC(=O)C1([N-]S(=O)(=O)Cc2ccc(CC#N)cc2)CCCCCC1	ZINC000568504710	675378968	/nfs/dbraw/zinc/37/89/68/675378968.db2.gz	BSZDBQJEPGKTDN-UHFFFAOYSA-N	-1	3	364.467	2.438	20	30		FEEDHM
N#CCCN(CC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)CC1CC1	ZINC000822806734	675508285	/nfs/dbraw/zinc/50/82/85/675508285.db2.gz	SHDGKCZRWAZRTB-UHFFFAOYSA-N	-1	3	359.821	2.084	20	30		FEEDHM
N#CCCN(CC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)CC1CC1	ZINC000822806734	675508286	/nfs/dbraw/zinc/50/82/86/675508286.db2.gz	SHDGKCZRWAZRTB-UHFFFAOYSA-N	-1	3	359.821	2.084	20	30		FEEDHM
C=CCCC[C@H](C)NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl	ZINC000823894176	675576083	/nfs/dbraw/zinc/57/60/83/675576083.db2.gz	JHZYYBBOLMKHBA-JTQLQIEISA-N	-1	3	362.821	2.320	20	30		FEEDHM
C=CCCC[C@H](C)NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl	ZINC000823894176	675576086	/nfs/dbraw/zinc/57/60/86/675576086.db2.gz	JHZYYBBOLMKHBA-JTQLQIEISA-N	-1	3	362.821	2.320	20	30		FEEDHM
Cc1cccc2[nH]c(C(C#N)=C([O-])c3ccc(CS(C)(=O)=O)o3)nc21	ZINC000605362952	675811636	/nfs/dbraw/zinc/81/16/36/675811636.db2.gz	ARLXLVSXSJKDJK-LBPRGKRZSA-N	-1	3	357.391	2.499	20	30		FEEDHM
C=CCOc1cccc([N-]S(=O)(=O)c2ccc(-n3cnnn3)cc2)c1	ZINC000622555344	676502051	/nfs/dbraw/zinc/50/20/51/676502051.db2.gz	RGYGQEXCEXZCNF-UHFFFAOYSA-N	-1	3	357.395	2.028	20	30		FEEDHM
CCOC(=O)[C@@H]1CCC(=N[N-]S(=O)(=O)Cc2ccccc2)[C@H](C)C1	ZINC000761261712	680717210	/nfs/dbraw/zinc/71/72/10/680717210.db2.gz	PFIUZXHWETURBS-UKRRQHHQSA-N	-1	3	352.456	2.461	20	30		FEEDHM
C=C1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1	ZINC000660069080	678272803	/nfs/dbraw/zinc/27/28/03/678272803.db2.gz	XJMWKLYIUFTNQV-TXEJJXNPSA-N	-1	3	374.459	2.069	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)OCC[C@@H]2CCCC2=O)ccc1F	ZINC000748177940	679938781	/nfs/dbraw/zinc/93/87/81/679938781.db2.gz	SIGMZSNYXKYIGY-LBPRGKRZSA-N	-1	3	369.414	2.206	20	30		FEEDHM
CCCN(CC)C(=O)[C@@H](CC(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000751320035	680168027	/nfs/dbraw/zinc/16/80/27/680168027.db2.gz	PGCINWCDWLIGHC-OAHLLOKOSA-N	-1	3	365.499	2.398	20	30		FEEDHM
C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccc(C#N)cc2)ccc1F	ZINC000752508793	680246376	/nfs/dbraw/zinc/24/63/76/680246376.db2.gz	ZUZXBIBSEQSZOR-NSHDSACASA-N	-1	3	361.398	2.096	20	30		FEEDHM
C[C@H](CC(=O)N(C)[C@H](C)C1(C)CC1)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000752784132	680260219	/nfs/dbraw/zinc/26/02/19/680260219.db2.gz	ZIXJNNRJKCBJPU-CHWSQXEVSA-N	-1	3	363.483	2.151	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H](C(C)C)C2)ccc1F	ZINC000755481110	680416939	/nfs/dbraw/zinc/41/69/39/680416939.db2.gz	ZZLHDTMVUZIXBI-AWEZNQCLSA-N	-1	3	354.447	2.408	20	30		FEEDHM
Oc1ccc(C=Nn2c(=S)[n-]nc2[C@@H]2COc3ccccc3O2)nc1	ZINC000755542209	680420674	/nfs/dbraw/zinc/42/06/74/680420674.db2.gz	LIIHFWXNCBKULF-AWEZNQCLSA-N	-1	3	355.379	2.062	20	30		FEEDHM
C[C@H](CC(=O)NC(C)(C)C1CCC1)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000836847278	680522230	/nfs/dbraw/zinc/52/22/30/680522230.db2.gz	FZLCBCCUEUUGDM-GFCCVEGCSA-N	-1	3	363.483	2.199	20	30		FEEDHM
N#CCC1(CS(=O)(=O)[N-]C2(C(=O)OCc3ccccc3)CCC2)CC1	ZINC000841546551	680895200	/nfs/dbraw/zinc/89/52/00/680895200.db2.gz	SXKKAKZGLNENPO-UHFFFAOYSA-N	-1	3	362.451	2.266	20	30		FEEDHM
CC[C@@H]1CCN1C(=O)[C@H](CC(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000843895972	681024401	/nfs/dbraw/zinc/02/44/01/681024401.db2.gz	UACYUWOQIWSNMK-HIFRSBDPSA-N	-1	3	363.483	2.151	20	30		FEEDHM
N#CC1(NC(=O)COC(=O)c2ccc(N)c(Cl)c2[O-])CCCCC1	ZINC000845195727	681110401	/nfs/dbraw/zinc/11/04/01/681110401.db2.gz	ZQVJZRHUWBVTCW-UHFFFAOYSA-N	-1	3	351.790	2.127	20	30		FEEDHM
C#C[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1F)[C@@H]1CCCO1	ZINC000773053199	681122861	/nfs/dbraw/zinc/12/28/61/681122861.db2.gz	FDQVPOYGMZCQSM-RYUDHWBXSA-N	-1	3	362.220	2.047	20	30		FEEDHM
CC(C)[N-]S(=O)(=O)c1cc(C(=O)NCC2(C#N)CCCC2)ccc1F	ZINC000846343550	681228449	/nfs/dbraw/zinc/22/84/49/681228449.db2.gz	IHSLHXZWAUUAOQ-UHFFFAOYSA-N	-1	3	367.446	2.326	20	30		FEEDHM
CC[C@@H]1[C@H](C)CCN1C(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000775317994	681297314	/nfs/dbraw/zinc/29/73/14/681297314.db2.gz	CAAQGEBXIISVLD-VNHYZAJKSA-N	-1	3	363.483	2.151	20	30		FEEDHM
CCOC(=O)[C@@H](CCOC(C)(C)C)/N=C/c1c([O-])c(C)ncc1CO	ZINC000776256759	681377193	/nfs/dbraw/zinc/37/71/93/681377193.db2.gz	GIFMDQSMEPKPTA-IXJMWADBSA-N	-1	3	352.431	2.144	20	30		FEEDHM
O=C(N[C@@H]1CCCN([O-])C1=O)c1cc(Cl)c(F)cc1Br	ZINC000848131500	681477497	/nfs/dbraw/zinc/47/74/97/681477497.db2.gz	HPQFYYDSJMHYPP-SNVBAGLBSA-N	-1	3	365.586	2.352	20	30		FEEDHM
COCc1nc(C(=O)N[C@@H]2CCCN([O-])C2=O)c(-c2ccccc2)s1	ZINC000848133143	681478087	/nfs/dbraw/zinc/47/80/87/681478087.db2.gz	SSRYOZRXXKIIFO-GFCCVEGCSA-N	-1	3	361.423	2.067	20	30		FEEDHM
CC1CC(C#N)(C(=O)[N-]N2C(=O)c3ccc(Br)cc3C2=O)C1	ZINC000848270258	681505625	/nfs/dbraw/zinc/50/56/25/681505625.db2.gz	GUVUVOZNYGGFQW-UHFFFAOYSA-N	-1	3	362.183	2.016	20	30		FEEDHM
N#CC(C(=O)Nc1ccc2c(c1)OCCO2)=C([O-])c1cccc(Cl)n1	ZINC000780308705	681813340	/nfs/dbraw/zinc/81/33/40/681813340.db2.gz	COWLQSRPMQJILU-NSHDSACASA-N	-1	3	357.753	2.467	20	30		FEEDHM
CC[C@H]([N-]S(=O)(=O)Cc1c(C)cc(C#N)cc1C)[C@@H](O)C(F)(F)F	ZINC000914310079	685503558	/nfs/dbraw/zinc/50/35/58/685503558.db2.gz	QPNSZSYOFIZSAM-UONOGXRCSA-N	-1	3	364.389	2.296	20	30		FEEDHM
C[C@H](CC(=O)OCC1C[C@H]2C[C@H]2C1)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000851226963	682038632	/nfs/dbraw/zinc/03/86/32/682038632.db2.gz	HFCIOCPFMNVRIH-RLAWYHOSSA-N	-1	3	362.451	2.093	20	30		FEEDHM
COc1cc(Br)ccc1CCCn1ccc(C=N[O-])nc1=O	ZINC000784051164	682196742	/nfs/dbraw/zinc/19/67/42/682196742.db2.gz	NSKWIDCIUQKFSX-UHFFFAOYSA-N	-1	3	366.215	2.455	20	30		FEEDHM
N#Cc1cc(CS(=O)(=O)[N-]Cc2cc(C(F)(F)F)on2)cs1	ZINC000917508319	685532627	/nfs/dbraw/zinc/53/26/27/685532627.db2.gz	YBGRAFYVQNPSDS-UHFFFAOYSA-N	-1	3	351.331	2.246	20	30		FEEDHM
Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)OCCCCC#N)CCCC1	ZINC000786299297	682366574	/nfs/dbraw/zinc/36/65/74/682366574.db2.gz	PBQFYYLPKVQEJJ-UHFFFAOYSA-N	-1	3	369.443	2.120	20	30		FEEDHM
C=CC[C@]1(C(=O)Nc2nnc(OC)[n-]2)CCCN1C(=O)OC(C)(C)C	ZINC000790840245	682705816	/nfs/dbraw/zinc/70/58/16/682705816.db2.gz	ZETYUFZHDBNDCZ-MRXNPFEDSA-N	-1	3	351.407	2.098	20	30		FEEDHM
C=CC[C@]1(C(=O)Nc2n[n-]c(OC)n2)CCCN1C(=O)OC(C)(C)C	ZINC000790840245	682705821	/nfs/dbraw/zinc/70/58/21/682705821.db2.gz	ZETYUFZHDBNDCZ-MRXNPFEDSA-N	-1	3	351.407	2.098	20	30		FEEDHM
C=CC[C@]1(C(=O)Nc2nc(OC)n[n-]2)CCCN1C(=O)OC(C)(C)C	ZINC000790840245	682705822	/nfs/dbraw/zinc/70/58/22/682705822.db2.gz	ZETYUFZHDBNDCZ-MRXNPFEDSA-N	-1	3	351.407	2.098	20	30		FEEDHM
CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N1[C@H](C)C[C@H]1C	ZINC000792531289	682818996	/nfs/dbraw/zinc/81/89/96/682818996.db2.gz	OWRXFLFBONUPHB-NFAWXSAZSA-N	-1	3	363.483	2.149	20	30		FEEDHM
C#CCNC(=O)C1CCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)CC1	ZINC000857090987	682853344	/nfs/dbraw/zinc/85/33/44/682853344.db2.gz	ATYFMLIULCIHGJ-UHFFFAOYSA-N	-1	3	354.328	2.013	20	30		FEEDHM
C#CC[C@H](COC)[N-]S(=O)(=O)c1sc(Br)cc1C	ZINC000859429330	683108626	/nfs/dbraw/zinc/10/86/26/683108626.db2.gz	DMFJYQQUTMLYPG-SECBINFHSA-N	-1	3	352.275	2.136	20	30		FEEDHM
C#CC[C@@H](COC)NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1	ZINC000863800212	683774647	/nfs/dbraw/zinc/77/46/47/683774647.db2.gz	ZURAMVINVOMISP-NSHDSACASA-N	-1	3	363.211	2.059	20	30		FEEDHM
C=C(Cl)C[C@H]([N-]S(=O)(=O)CCCC1CCOCC1)C(=O)OCC	ZINC000867590415	684323888	/nfs/dbraw/zinc/32/38/88/684323888.db2.gz	ZSTWHSSGUMZZGO-AWEZNQCLSA-N	-1	3	367.895	2.187	20	30		FEEDHM
CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NCC(C)(C)F	ZINC000869626607	684636823	/nfs/dbraw/zinc/63/68/23/684636823.db2.gz	KFIVTGNJXBNUPA-ZDUSSCGKSA-N	-1	3	369.462	2.148	20	30		FEEDHM
C#C[C@H]1CC[C@H]([N-]S(=O)(=O)N=[S@](C)(=O)c2ccccc2F)CC1	ZINC000872672996	685002701	/nfs/dbraw/zinc/00/27/01/685002701.db2.gz	DXGDGBJGONLTEK-GIYNXVAASA-N	-1	3	358.460	2.309	20	30		FEEDHM
CC1(C)OC[C@@H]([N-]S(=O)(=O)CC2(CC#N)CC2)[C@@H](c2ccccc2)O1	ZINC000882538507	687388080	/nfs/dbraw/zinc/38/80/80/687388080.db2.gz	CSWQMBBSPBJGJP-HZPDHXFCSA-N	-1	3	364.467	2.492	20	30		FEEDHM
C=C(C)C[C@H](CO)[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F	ZINC000882848696	687512745	/nfs/dbraw/zinc/51/27/45/687512745.db2.gz	ORCNWYAFWNZVHF-SNVBAGLBSA-N	-1	3	364.826	2.043	20	30		FEEDHM
CCOC(=O)[C@@](C)([N-]S(=O)(=O)CC1(CC#N)CC1)c1ccccc1	ZINC000885845170	688167087	/nfs/dbraw/zinc/16/70/87/688167087.db2.gz	GPFZESWQQRHPHM-INIZCTEOSA-N	-1	3	350.440	2.078	20	30		FEEDHM
C[C@@H](CC(=O)NCC(C)(C)C1CC1)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000887376488	688416006	/nfs/dbraw/zinc/41/60/06/688416006.db2.gz	BCMNXUQYJFCPCJ-LBPRGKRZSA-N	-1	3	363.483	2.056	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCOC1CCSCC1	ZINC000891235531	689037674	/nfs/dbraw/zinc/03/76/74/689037674.db2.gz	UOBHNPPAHNSTAK-UHFFFAOYSA-N	-1	3	363.483	2.237	20	30		FEEDHM
N#CC[C@@H]([N-]S(=O)(=O)c1c[nH]c2ncc(Cl)cc12)C(F)(F)F	ZINC000901949695	690719422	/nfs/dbraw/zinc/71/94/22/690719422.db2.gz	VTUQVBCHFRMVCC-SECBINFHSA-N	-1	3	352.725	2.339	20	30		FEEDHM
COCCn1nc(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)ccc1=O	ZINC000904182835	691010537	/nfs/dbraw/zinc/01/05/37/691010537.db2.gz	QWCBOFWWFQFBQH-UHFFFAOYSA-N	-1	3	372.208	2.228	20	30		FEEDHM
C=C(Cl)C[C@H](NC(=O)NC[C@H](Cc1ccccc1)N(C)C)C(=O)[O-]	ZINC000908748596	691721957	/nfs/dbraw/zinc/72/19/57/691721957.db2.gz	GCTJBPUCDFMMCI-GJZGRUSLSA-N	-1	3	353.850	2.054	20	30		FEEDHM
C[C@H](Cc1ccc(F)c(Br)c1)C(=O)N[C@H]1CCCN([O-])C1=O	ZINC000820470900	675364379	/nfs/dbraw/zinc/36/43/79/675364379.db2.gz	IMGWQAUDRJPYTE-RNCFNFMXSA-N	-1	3	373.222	2.263	20	30		FEEDHM
C[C@H](NC(=O)CCn1[n-]c(=O)c2ccccc2c1=O)c1ccc(C#N)cc1	ZINC000033179592	539970675	/nfs/dbraw/zinc/97/06/75/539970675.db2.gz	AXYIDBKIXWMVGN-ZDUSSCGKSA-N	-1	3	362.389	2.241	20	30		FEEDHM
C=CCN(CC(F)(F)F)C(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F	ZINC000069468171	541688006	/nfs/dbraw/zinc/68/80/06/541688006.db2.gz	PKZMWOZPZDLZAQ-JTQLQIEISA-N	-1	3	368.352	2.069	20	30		FEEDHM
Cn1cnc(S(=O)(=O)[N-]Cc2ccc(-c3ccccc3C#N)cc2)c1	ZINC000091049999	542791976	/nfs/dbraw/zinc/79/19/76/542791976.db2.gz	ASMZZQYGZYJIPL-UHFFFAOYSA-N	-1	3	352.419	2.437	20	30		FEEDHM
N#CCCCS(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)Nc1ccccc1	ZINC000111342555	543397416	/nfs/dbraw/zinc/39/74/16/543397416.db2.gz	SJDNLRNIGGCFNJ-SFHVURJKSA-N	-1	3	371.462	2.460	20	30		FEEDHM
CC(C)[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)c1nnc2ccccn21	ZINC000126080261	543917062	/nfs/dbraw/zinc/91/70/62/543917062.db2.gz	GXZHJKLKXORICD-INIZCTEOSA-N	-1	3	373.413	2.416	20	30		FEEDHM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@]1(C#N)CCC[C@@H](C)C1	ZINC000130479516	544152661	/nfs/dbraw/zinc/15/26/61/544152661.db2.gz	MSQKZKAYZNPTOW-IAQYHMDHSA-N	-1	3	353.400	2.354	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]C[C@H](c2ccco2)N2CCCC2)c(F)c1	ZINC000151014622	544496525	/nfs/dbraw/zinc/49/65/25/544496525.db2.gz	GOLWMIDPGDLKOB-OAHLLOKOSA-N	-1	3	363.414	2.406	20	30		FEEDHM
C[C@H]1CCCN(C(C)(C)C[N-]S(=O)(=O)c2ccc(C#N)cc2F)C1	ZINC000151097225	544504766	/nfs/dbraw/zinc/50/47/66/544504766.db2.gz	QPIHPZBXMORLIS-ZDUSSCGKSA-N	-1	3	353.463	2.486	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)Cc1ccc(O)cc1	ZINC000152589744	544671718	/nfs/dbraw/zinc/67/17/18/544671718.db2.gz	NFHWHAJBSJZAAX-LBPRGKRZSA-N	-1	3	353.422	2.249	20	30		FEEDHM
CC(C)SCCOC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000803371734	674238849	/nfs/dbraw/zinc/23/88/49/674238849.db2.gz	HBHMSEUGIKDZPN-LBPRGKRZSA-N	-1	3	370.496	2.189	20	30		FEEDHM
C#C[C@@H](NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1ccc(Cl)cc1F	ZINC000804418170	674285613	/nfs/dbraw/zinc/28/56/13/674285613.db2.gz	FDNYQLOKMDHKLN-OAHLLOKOSA-N	-1	3	356.740	2.467	20	30		FEEDHM
CCO[C@H]1C[C@](O)(C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)C1(C)C	ZINC000188476667	328089425	/nfs/dbraw/zinc/08/94/25/328089425.db2.gz	VVBVRMQURIDUKQ-HOCLYGCPSA-N	-1	3	372.874	2.056	20	30		FEEDHM
CCO[C@H]1C[C@@](O)(C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)C1(C)C	ZINC000188476716	328089456	/nfs/dbraw/zinc/08/94/56/328089456.db2.gz	VVBVRMQURIDUKQ-GOEBONIOSA-N	-1	3	372.874	2.056	20	30		FEEDHM
COC(=O)CC1([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)CCCC1	ZINC000193015477	328352130	/nfs/dbraw/zinc/35/21/30/328352130.db2.gz	FSAZLKXQAPSZDT-UHFFFAOYSA-N	-1	3	356.831	2.366	20	30		FEEDHM
CCOC(=O)[C@H]([N-]S(=O)(=O)Cc1cccc(C#N)c1)c1ccccc1	ZINC000193982028	328405200	/nfs/dbraw/zinc/40/52/00/328405200.db2.gz	CQMDAJCHCJSKAF-QGZVFWFLSA-N	-1	3	358.419	2.282	20	30		FEEDHM
N#Cc1cccnc1-n1cc(NC(=O)c2n[n-]nc2-c2ccccc2)cn1	ZINC000194229404	328415925	/nfs/dbraw/zinc/41/59/25/328415925.db2.gz	WMCXDQMQCUOYJZ-UHFFFAOYSA-N	-1	3	356.349	2.176	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(Cc1ccccn1)C1CC1	ZINC000052953668	324726114	/nfs/dbraw/zinc/72/61/14/324726114.db2.gz	FCEWHNBPZVPEBC-UHFFFAOYSA-N	-1	3	350.422	2.382	20	30		FEEDHM
N#Cc1cccc(OCCN2CCN(C(=O)c3cccc([O-])c3)CC2)c1	ZINC000081021758	325154279	/nfs/dbraw/zinc/15/42/79/325154279.db2.gz	FSYOGEDZBMQNER-UHFFFAOYSA-N	-1	3	351.406	2.101	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(CC(C)C)C1CCN(C)CC1	ZINC000101693185	325478090	/nfs/dbraw/zinc/47/80/90/325478090.db2.gz	PWNYOYUKGPIORJ-UHFFFAOYSA-N	-1	3	372.513	2.375	20	30		FEEDHM
CC(=O)Nc1cccc(OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1	ZINC000115179777	325943945	/nfs/dbraw/zinc/94/39/45/325943945.db2.gz	XNERUAMUSROTJZ-UHFFFAOYSA-N	-1	3	353.378	2.360	20	30		FEEDHM
CCCC(O)(CCC)C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000120223122	326241750	/nfs/dbraw/zinc/24/17/50/326241750.db2.gz	LKFYMZPZKMABBO-UHFFFAOYSA-N	-1	3	355.416	2.076	20	30		FEEDHM
Cc1oc2ncn(C)c(=O)c2c1C(=O)[N-]c1nc2c(cc1C#N)CCCC2	ZINC000122059648	326382225	/nfs/dbraw/zinc/38/22/25/326382225.db2.gz	GOKAKXGQYNJFGK-UHFFFAOYSA-N	-1	3	363.377	2.233	20	30		FEEDHM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]CCC[C@@H]1CCCC[C@@H]1O	ZINC000127877052	326514086	/nfs/dbraw/zinc/51/40/86/326514086.db2.gz	ZKOYIASDTIFRSS-WFASDCNBSA-N	-1	3	367.427	2.076	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](CCO)c1ccccc1	ZINC000150955369	326671789	/nfs/dbraw/zinc/67/17/89/326671789.db2.gz	KFKMUCIFUVANFE-GOSISDBHSA-N	-1	3	353.422	2.036	20	30		FEEDHM
N#Cc1c(Cl)cccc1S(=O)(=O)[N-]Cc1cccnc1-n1cccn1	ZINC000156461241	326832056	/nfs/dbraw/zinc/83/20/56/326832056.db2.gz	MZQBTXVAVBNRIQ-UHFFFAOYSA-N	-1	3	373.825	2.271	20	30		FEEDHM
Cc1ccc(C#N)c(NCC[N-]S(=O)(=O)c2ccc(Cl)s2)n1	ZINC000162055129	327016038	/nfs/dbraw/zinc/01/60/38/327016038.db2.gz	CJODOSYDQYRTEX-UHFFFAOYSA-N	-1	3	356.860	2.367	20	30		FEEDHM
CO[C@@]1(C)C[C@@H](N(C)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C1(C)C	ZINC000175242042	327381927	/nfs/dbraw/zinc/38/19/27/327381927.db2.gz	LMUMINAEYTVQFG-UZLBHIALSA-N	-1	3	359.470	2.458	20	30		FEEDHM
CCc1nnc(NCc2ccc(S(=O)(=O)[N-]C)s2)c(C#N)c1CC	ZINC000268174823	329393464	/nfs/dbraw/zinc/39/34/64/329393464.db2.gz	RIENFNUNIPNBFV-UHFFFAOYSA-N	-1	3	365.484	2.055	20	30		FEEDHM
CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc([O-])cc([N+](=O)[O-])c1	ZINC000274646206	329967566	/nfs/dbraw/zinc/96/75/66/329967566.db2.gz	RJELKSSRKUCLKW-UHFFFAOYSA-N	-1	3	368.393	2.376	20	30		FEEDHM
CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)[C@@]12CCCO2	ZINC000274729692	329974934	/nfs/dbraw/zinc/97/49/34/329974934.db2.gz	GPYBQGLETPLINZ-OAGGEKHMSA-N	-1	3	370.858	2.217	20	30		FEEDHM
COC(=O)C[C@@](C)([N-]S(=O)(=O)c1cccc(C)c1C#N)c1ccncc1	ZINC000274992670	329999952	/nfs/dbraw/zinc/99/99/52/329999952.db2.gz	ZHVWFSBXWPRNIH-GOSISDBHSA-N	-1	3	373.434	2.019	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]C[C@H](c2cccs2)N2CCCC2)o1	ZINC000286422335	330183723	/nfs/dbraw/zinc/18/37/23/330183723.db2.gz	GQAXKNGFNZTMNQ-CYBMUJFWSA-N	-1	3	351.453	2.328	20	30		FEEDHM
N#Cc1cc(F)ccc1S(=O)(=O)[N-]Cc1cn2cc(Cl)ccc2n1	ZINC000156360425	545621317	/nfs/dbraw/zinc/62/13/17/545621317.db2.gz	CAKMDXKBABAKIO-UHFFFAOYSA-N	-1	3	364.789	2.477	20	30		FEEDHM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C[C@@H]1CCOc2ccccc21	ZINC000157394787	545735150	/nfs/dbraw/zinc/73/51/50/545735150.db2.gz	YFXQEESFWOYULR-LBPRGKRZSA-N	-1	3	373.390	2.311	20	30		FEEDHM
C=CCCOCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F	ZINC000163383384	546144775	/nfs/dbraw/zinc/14/47/75/546144775.db2.gz	MEVHSBRCXHFEST-UHFFFAOYSA-N	-1	3	368.333	2.485	20	30		FEEDHM
COc1ccccc1[C@H]([N-]S(=O)(=O)CC1(C#N)CC1)c1ccccn1	ZINC000166198896	546154488	/nfs/dbraw/zinc/15/44/88/546154488.db2.gz	KZZVWCYZDJZPFI-KRWDZBQOSA-N	-1	3	357.435	2.403	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]Cc2noc(C3CC3)n2)c(C(F)(F)F)c1	ZINC000479541290	561191597	/nfs/dbraw/zinc/19/15/97/561191597.db2.gz	LYORJXFCYWCBFT-UHFFFAOYSA-N	-1	3	372.328	2.316	20	30		FEEDHM
CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-][C@@]1(C#N)CCC[C@@H](C)C1	ZINC000182010138	547421486	/nfs/dbraw/zinc/42/14/86/547421486.db2.gz	AHCLXEGEAXATEB-BZNIZROVSA-N	-1	3	354.428	2.379	20	30		FEEDHM
[O-]c1ccc(Br)cc1/C=N/C[C@@H]1COC2(CCOCC2)O1	ZINC000182236377	547457877	/nfs/dbraw/zinc/45/78/77/547457877.db2.gz	FEBCACCYGQBVPE-QOSBVPTNSA-N	-1	3	356.216	2.496	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]Cc2cccnc2-n2cccn2)c(Cl)c1	ZINC000183492666	547670172	/nfs/dbraw/zinc/67/01/72/547670172.db2.gz	ZRZFQIWGYUNYQX-UHFFFAOYSA-N	-1	3	373.825	2.271	20	30		FEEDHM
CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000183561765	547681118	/nfs/dbraw/zinc/68/11/18/547681118.db2.gz	SIULCARRAFINFF-UHFFFAOYSA-N	-1	3	368.393	2.376	20	30		FEEDHM
Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N[C@@H](C#N)C3CC3)cs2)c1	ZINC000183742893	547711203	/nfs/dbraw/zinc/71/12/03/547711203.db2.gz	JYWIUPJGDVWHRW-AWEZNQCLSA-N	-1	3	370.434	2.370	20	30		FEEDHM
CCOC(=O)C[C@](C)([N-]S(=O)(=O)c1ccc(F)cc1C#N)C(C)C	ZINC000186112004	548086183	/nfs/dbraw/zinc/08/61/83/548086183.db2.gz	BAAISFGZYHZSLZ-INIZCTEOSA-N	-1	3	356.419	2.344	20	30		FEEDHM
CCOC(=O)C[C@@](C)([N-]S(=O)(=O)c1ccc(F)cc1C#N)C(C)C	ZINC000186112023	548086647	/nfs/dbraw/zinc/08/66/47/548086647.db2.gz	BAAISFGZYHZSLZ-MRXNPFEDSA-N	-1	3	356.419	2.344	20	30		FEEDHM
N#CC(=C([O-])c1ccc(N2CCCC2)nc1)c1nnc2n1CCCCC2	ZINC000187226744	548253462	/nfs/dbraw/zinc/25/34/62/548253462.db2.gz	KLOYDVHZOVREPO-OAHLLOKOSA-N	-1	3	350.426	2.490	20	30		FEEDHM
CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(C)c(SCC#N)s2)n1	ZINC000191542164	548346363	/nfs/dbraw/zinc/34/63/63/548346363.db2.gz	CHOLPDRKNIOMPC-UHFFFAOYSA-N	-1	3	352.401	2.444	20	30		FEEDHM
N#Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)c(Cl)c1	ZINC000486500729	561349007	/nfs/dbraw/zinc/34/90/07/561349007.db2.gz	UYDSSIQFKCHPSQ-UHFFFAOYSA-N	-1	3	361.810	2.298	20	30		FEEDHM
COC(=O)c1ccc(CS(=O)(=O)[N-][C@]2(C#N)CCC[C@H](C)C2)cc1	ZINC000194689797	548515372	/nfs/dbraw/zinc/51/53/72/548515372.db2.gz	FXPHUCFOMBECEN-SUMWQHHRSA-N	-1	3	350.440	2.365	20	30		FEEDHM
COC[C@H]([N-]S(=O)(=O)c1cccnc1C#N)c1ccc(Cl)cc1	ZINC000487385389	561368824	/nfs/dbraw/zinc/36/88/24/561368824.db2.gz	CERIQHDTBWFDIG-AWEZNQCLSA-N	-1	3	351.815	2.273	20	30		FEEDHM
C=CCCCS(=O)(=O)[N-][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O	ZINC000489688383	561417063	/nfs/dbraw/zinc/41/70/63/561417063.db2.gz	ZULISZUXWBFMKU-CQSZACIVSA-N	-1	3	360.838	2.470	20	30		FEEDHM
C[C@H](c1ccccc1)[C@H]([N-]S(=O)(=O)CC1(C#N)CCCCC1)C(N)=O	ZINC000490103133	561426790	/nfs/dbraw/zinc/42/67/90/561426790.db2.gz	MHLOOCPSOPKMDA-ZBFHGGJFSA-N	-1	3	363.483	2.037	20	30		FEEDHM
COCC[S@](=O)Cc1cccc(/N=C/c2c([O-])c(C)ncc2CO)c1	ZINC000265281834	550008220	/nfs/dbraw/zinc/00/82/20/550008220.db2.gz	OZKSVFPRXLNPKA-XQKFRMTHSA-N	-1	3	362.451	2.234	20	30		FEEDHM
CC#CCN(C)C(=O)C(=O)[N-]c1scc(C(C)C)c1C(=O)OCC	ZINC000492148289	561449794	/nfs/dbraw/zinc/44/97/94/561449794.db2.gz	VJYOWCMUFORXTE-UHFFFAOYSA-N	-1	3	350.440	2.468	20	30		FEEDHM
C=CCNc1ncc(C(=O)[N-]c2nnc(CCCC(=O)OC)s2)s1	ZINC000269522729	550203813	/nfs/dbraw/zinc/20/38/13/550203813.db2.gz	KTFMOCIARJSDBV-UHFFFAOYSA-N	-1	3	367.456	2.341	20	30		FEEDHM
CC(C)c1nc([C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)n[nH]1	ZINC000270543565	550282091	/nfs/dbraw/zinc/28/20/91/550282091.db2.gz	CRRVHBNOQGWEJP-SECBINFHSA-N	-1	3	353.835	2.493	20	30		FEEDHM
CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(CC#N)CCC)cc1	ZINC000271487603	550379229	/nfs/dbraw/zinc/37/92/29/550379229.db2.gz	MIOULBAJRXRCPU-UHFFFAOYSA-N	-1	3	373.500	2.153	20	30		FEEDHM
C#CC(C)(C)NC(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1	ZINC000274186068	550526927	/nfs/dbraw/zinc/52/69/27/550526927.db2.gz	JLVKYUONGVRWEH-UHFFFAOYSA-N	-1	3	357.435	2.480	20	30		FEEDHM
Cc1ccc(CN2CC[C@H](/N=C/c3c([O-])c(C)ncc3CO)C2=O)cc1	ZINC000276692761	550586024	/nfs/dbraw/zinc/58/60/24/550586024.db2.gz	NHOVPCUQHRQYLT-UJPSCDQMSA-N	-1	3	353.422	2.116	20	30		FEEDHM
C#CCN1CCC(C(=O)NCc2cccc(Br)c2[O-])CC1	ZINC000277470045	550674479	/nfs/dbraw/zinc/67/44/79/550674479.db2.gz	HUEPSKYIJMOOKD-UHFFFAOYSA-N	-1	3	351.244	2.116	20	30		FEEDHM
O=S(=O)([N-]CCOCC(F)(F)C(F)F)c1cc(F)c(F)c(F)c1	ZINC000277480635	550675943	/nfs/dbraw/zinc/67/59/43/550675943.db2.gz	MFTKWZNGHOKASU-UHFFFAOYSA-N	-1	3	369.258	2.299	20	30		FEEDHM
C=C(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1ccc(Cl)cc1C(=O)OC	ZINC000280500914	551000933	/nfs/dbraw/zinc/00/09/33/551000933.db2.gz	CBECVOZQGHGXBR-ABAIWWIYSA-N	-1	3	373.858	2.386	20	30		FEEDHM
CCCOc1ccc(/C=N/C[C@H]2CCn3ncc(C(N)=O)c3C2)c([O-])c1	ZINC000280952206	551048957	/nfs/dbraw/zinc/04/89/57/551048957.db2.gz	JUGYGCJUKZDHDC-PUFAJPFRSA-N	-1	3	356.426	2.158	20	30		FEEDHM
COc1cc(C#N)ccc1CN1CCC(C[N-]C(=O)C(F)(F)F)CC1	ZINC000281314669	551083795	/nfs/dbraw/zinc/08/37/95/551083795.db2.gz	KTDHNQRYUXWQMT-UHFFFAOYSA-N	-1	3	355.360	2.457	20	30		FEEDHM
CC(C)[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N(C)CC(C)(C)C#N	ZINC000497412694	561500302	/nfs/dbraw/zinc/50/03/02/561500302.db2.gz	TXKYUDDAZVLKBU-HNNXBMFYSA-N	-1	3	369.462	2.137	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)c1cccc(Br)c1C#N)[C@@H]1CCCO1	ZINC000283587448	551392361	/nfs/dbraw/zinc/39/23/61/551392361.db2.gz	RTNSBUUDGOSICT-CABZTGNLSA-N	-1	3	359.245	2.167	20	30		FEEDHM
C=CC[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)N(C)C)c1OC	ZINC000284099155	551483515	/nfs/dbraw/zinc/48/35/15/551483515.db2.gz	BYFPJHWFGSNPQZ-SNVBAGLBSA-N	-1	3	360.863	2.293	20	30		FEEDHM
N#Cc1ccc(N2CC[C@@H](C(=O)Nc3nnc(C(F)(F)F)[n-]3)C2)c(F)c1	ZINC000285898420	551824992	/nfs/dbraw/zinc/82/49/92/551824992.db2.gz	DLHICENDCIFKCC-SECBINFHSA-N	-1	3	368.294	2.299	20	30		FEEDHM
N#Cc1ccc(N2CC[C@@H](C(=O)Nc3nc(C(F)(F)F)n[n-]3)C2)c(F)c1	ZINC000285898420	551824993	/nfs/dbraw/zinc/82/49/93/551824993.db2.gz	DLHICENDCIFKCC-SECBINFHSA-N	-1	3	368.294	2.299	20	30		FEEDHM
CC[C@@H](C)NC(=O)c1cccc(C[N-]S(=O)(=O)c2ccc(C#N)o2)c1	ZINC000286599222	551904607	/nfs/dbraw/zinc/90/46/07/551904607.db2.gz	LALYHNIINBWLBU-GFCCVEGCSA-N	-1	3	361.423	2.158	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1C#N)C1CCOCC1	ZINC000288023134	552076231	/nfs/dbraw/zinc/07/62/31/552076231.db2.gz	HKXQXFQNOHUUGZ-SNVBAGLBSA-N	-1	3	373.272	2.414	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-][C@@H](c1ccccc1)C1(CO)CCC1	ZINC000292501278	552732827	/nfs/dbraw/zinc/73/28/27/552732827.db2.gz	FZFWUUCEWYHSRS-KRWDZBQOSA-N	-1	3	357.435	2.135	20	30		FEEDHM
C#CC[C@H]([N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)c1ccccc1	ZINC000293178403	552796416	/nfs/dbraw/zinc/79/64/16/552796416.db2.gz	SKKOBWNIMZCYMM-LBPRGKRZSA-N	-1	3	357.357	2.482	20	30		FEEDHM
C[C@]1(c2cccc(NC(=O)[C@@]3(C#N)CC34CCCC4)c2)NC(=O)[N-]C1=O	ZINC000294485352	552909816	/nfs/dbraw/zinc/90/98/16/552909816.db2.gz	MZNSJDQMCRWJCU-MJGOQNOKSA-N	-1	3	352.394	2.154	20	30		FEEDHM
CC(C)(CC#N)CS(=O)(=O)[N-][C@@H]1CCN(c2ccc(Cl)cc2)C1=O	ZINC000295412182	553002550	/nfs/dbraw/zinc/00/25/50/553002550.db2.gz	CBJZVYFKZGQFEY-CQSZACIVSA-N	-1	3	369.874	2.305	20	30		FEEDHM
C#Cc1ccc(CNC(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cc1	ZINC000296557056	553179239	/nfs/dbraw/zinc/17/92/39/553179239.db2.gz	CGAOOJJGZDYCHP-OAHLLOKOSA-N	-1	3	367.371	2.268	20	30		FEEDHM
Cc1ncc(CO)c(/C=N/Cc2cccc(NC(=O)[C@H]3CCCO3)c2)c1[O-]	ZINC000299226948	553533380	/nfs/dbraw/zinc/53/33/80/553533380.db2.gz	XTECOEFWFCBDPV-PGNNWUFWSA-N	-1	3	369.421	2.325	20	30		FEEDHM
C=CCC[C@H](CO)[N-]S(=O)(=O)c1cc(C)c(Br)s1	ZINC000315868531	553761124	/nfs/dbraw/zinc/76/11/24/553761124.db2.gz	JAPOMIFDJYLDRX-SECBINFHSA-N	-1	3	354.291	2.424	20	30		FEEDHM
C[C@](CO)([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)c1ccccc1	ZINC000322479744	553768439	/nfs/dbraw/zinc/76/84/39/553768439.db2.gz	BGOBVJDVCFCQFL-MRXNPFEDSA-N	-1	3	350.827	2.398	20	30		FEEDHM
COc1ccc([O-])c(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1	ZINC000505667324	561676881	/nfs/dbraw/zinc/67/68/81/561676881.db2.gz	YKSAXFPSMBTHBY-QGZVFWFLSA-N	-1	3	365.389	2.198	20	30		FEEDHM
Cc1cc([N-]C(=O)[C@H](C)N2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)on1	ZINC000328666134	553804818	/nfs/dbraw/zinc/80/48/18/553804818.db2.gz	CTFSIVIZNYHYTO-JMERFSKESA-N	-1	3	365.393	2.305	20	30		FEEDHM
O=C(Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)N1CCC12CCC2	ZINC000329464406	553951320	/nfs/dbraw/zinc/95/13/20/553951320.db2.gz	UXUKPFJPYRRIRV-UHFFFAOYSA-N	-1	3	353.419	2.440	20	30		FEEDHM
CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)[N-]c1nncn1-c1ccccc1	ZINC000507088709	561717087	/nfs/dbraw/zinc/71/70/87/561717087.db2.gz	OVXQIAKZADHYCN-GOSISDBHSA-N	-1	3	355.398	2.467	20	30		FEEDHM
Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)NC[C@@H]2CCCO2)CCCC1	ZINC000329737062	553997239	/nfs/dbraw/zinc/99/72/39/553997239.db2.gz	LXGYDARDOOZMGM-ZDUSSCGKSA-N	-1	3	371.459	2.018	20	30		FEEDHM
Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)NC[C@H]2CCCO2)CCCC1	ZINC000329737061	553997378	/nfs/dbraw/zinc/99/73/78/553997378.db2.gz	LXGYDARDOOZMGM-CYBMUJFWSA-N	-1	3	371.459	2.018	20	30		FEEDHM
COCC[C@@](C)(C#N)[N-]S(=O)(=O)Cc1ccc(Br)cc1	ZINC000508066318	561749956	/nfs/dbraw/zinc/74/99/56/561749956.db2.gz	BDQYMEKVRANYAA-ZDUSSCGKSA-N	-1	3	361.261	2.187	20	30		FEEDHM
CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@](C)(C#N)CCSC)c1	ZINC000508080660	561750628	/nfs/dbraw/zinc/75/06/28/561750628.db2.gz	AADLIWYWPAWGGN-HNNXBMFYSA-N	-1	3	374.459	2.316	20	30		FEEDHM
CO[C@H]1CC[C@H]([N-]S(=O)(=O)c2cccc(Br)c2C#N)C1	ZINC000330675101	554155582	/nfs/dbraw/zinc/15/55/82/554155582.db2.gz	GWJMXLDCWYTISC-UWVGGRQHSA-N	-1	3	359.245	2.167	20	30		FEEDHM
CCC(CC)C(=O)N1CCC([N-]S(=O)(=O)c2ccc(C#N)s2)CC1	ZINC000331235540	554234704	/nfs/dbraw/zinc/23/47/04/554234704.db2.gz	KBTJSESOUXHPSR-UHFFFAOYSA-N	-1	3	369.512	2.325	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCN1CCCC(C)(C)C1	ZINC000332583748	554476445	/nfs/dbraw/zinc/47/64/45/554476445.db2.gz	ATJVWNQGSUANCA-UHFFFAOYSA-N	-1	3	358.486	2.447	20	30		FEEDHM
CC1(C)SC[C@H]1[N-]S(=O)(=O)c1cc(Br)ccc1C#N	ZINC000333090359	554570890	/nfs/dbraw/zinc/57/08/90/554570890.db2.gz	AVUHVTOGKCUTGK-LLVKDONJSA-N	-1	3	361.286	2.493	20	30		FEEDHM
C[C@H](C#N)S(=O)(=O)[N-][C@@H](c1nc2ccccc2n1C)c1ccccc1	ZINC000510776233	561845987	/nfs/dbraw/zinc/84/59/87/561845987.db2.gz	BZKPECQJTHFKFP-CXAGYDPISA-N	-1	3	354.435	2.494	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(-c2nc(-c3cncs3)no2)ccc1F	ZINC000350904592	554821241	/nfs/dbraw/zinc/82/12/41/554821241.db2.gz	BQHQCJAORGWAPL-UHFFFAOYSA-N	-1	3	366.399	2.464	20	30		FEEDHM
CCOC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)Cc1cccc(C#N)c1	ZINC000511878105	561883677	/nfs/dbraw/zinc/88/36/77/561883677.db2.gz	WSWGYAHWIKZPQE-SFHVURJKSA-N	-1	3	372.446	2.152	20	30		FEEDHM
COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)C1CCCCC1	ZINC000531533538	562448804	/nfs/dbraw/zinc/44/88/04/562448804.db2.gz	NKHIOHXMAGOIHX-HNNXBMFYSA-N	-1	3	354.403	2.098	20	30		FEEDHM
N#Cc1cccc(CN2C(=O)CC[C@H]2C(=O)NCc2ccc([O-])c(F)c2)c1	ZINC000365126071	555491064	/nfs/dbraw/zinc/49/10/64/555491064.db2.gz	POCMMWRABQBOIF-KRWDZBQOSA-N	-1	3	367.380	2.210	20	30		FEEDHM
Cc1nnnn1-c1ccc(F)c([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c1	ZINC000365474717	555585712	/nfs/dbraw/zinc/58/57/12/555585712.db2.gz	VXTZCGYRRGAECO-UHFFFAOYSA-N	-1	3	372.385	2.091	20	30		FEEDHM
C=C(C)CS(=O)(=O)[N-][C@@H](c1nc[nH]n1)c1cccc(C(F)(F)F)c1	ZINC000367189480	556003199	/nfs/dbraw/zinc/00/31/99/556003199.db2.gz	WRLLCIZMPJEKJU-GFCCVEGCSA-N	-1	3	360.361	2.408	20	30		FEEDHM
N#Cc1ccc(OC2CCN(CCC[N-]C(=O)C(F)(F)F)CC2)cc1	ZINC000367762397	556132861	/nfs/dbraw/zinc/13/28/61/556132861.db2.gz	BMOUTUYSQMQDRO-UHFFFAOYSA-N	-1	3	355.360	2.470	20	30		FEEDHM
N#Cc1ccc(NC2CCN(C(=O)c3cc([O-])ccc3Cl)CC2)nc1	ZINC000368237180	556255315	/nfs/dbraw/zinc/25/53/15/556255315.db2.gz	UPFABUOBXWOQIZ-UHFFFAOYSA-N	-1	3	356.813	3.029	20	30		FEEDHM
CCNc1ccc(C#N)cc1[N-]S(=O)(=O)CC1(C(=O)OC)CCCC1	ZINC000516358098	562040747	/nfs/dbraw/zinc/04/07/47/562040747.db2.gz	ARVLNKMERCJCDB-UHFFFAOYSA-N	-1	3	365.455	2.465	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)c1ccc(C#N)o1)[C@H]1CCN(Cc2ccccc2)C1	ZINC000370668173	556935624	/nfs/dbraw/zinc/93/56/24/556935624.db2.gz	UAVYQKYSVKFQPV-HOCLYGCPSA-N	-1	3	359.451	2.340	20	30		FEEDHM
Cc1noc(C2CCC([N-]S(=O)(=O)c3ccc(F)cc3C#N)CC2)n1	ZINC000370982377	557035430	/nfs/dbraw/zinc/03/54/30/557035430.db2.gz	MHXDHFIZSAKYNR-UHFFFAOYSA-N	-1	3	364.402	2.394	20	30		FEEDHM
Cc1nc(C[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)c2n1CCCC2	ZINC000371303246	557137627	/nfs/dbraw/zinc/13/76/27/557137627.db2.gz	CPAZXYUGVMWQJA-UHFFFAOYSA-N	-1	3	366.393	2.156	20	30		FEEDHM
CC(C)C[C@H]([N-]S(=O)(=O)Cc1ccc(C#N)cc1)C(=O)OC(C)C	ZINC000518246757	562107168	/nfs/dbraw/zinc/10/71/68/562107168.db2.gz	DDOMQPUMBGEVLH-INIZCTEOSA-N	-1	3	352.456	2.344	20	30		FEEDHM
Cc1nnc([C@H]2CCCCN2C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)[nH]1	ZINC000372243766	557419889	/nfs/dbraw/zinc/41/98/89/557419889.db2.gz	FUCLMYDVECHUJT-MRXNPFEDSA-N	-1	3	368.441	2.389	20	30		FEEDHM
Cc1nc([C@H]2CCCCN2C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)n[nH]1	ZINC000372243766	557419891	/nfs/dbraw/zinc/41/98/91/557419891.db2.gz	FUCLMYDVECHUJT-MRXNPFEDSA-N	-1	3	368.441	2.389	20	30		FEEDHM
CCN(C[C@@H](C)C#N)S(=O)(=O)[N-][C@H](C)c1noc(-c2ccccc2)n1	ZINC000374458611	557886457	/nfs/dbraw/zinc/88/64/57/557886457.db2.gz	LVXCNWQYJKHBFC-QWHCGFSZSA-N	-1	3	363.443	2.114	20	30		FEEDHM
Cn1cc([C@H]([N-]S(=O)(=O)c2ccc(C#N)o2)c2ccc(F)cc2)cn1	ZINC000376317266	558156926	/nfs/dbraw/zinc/15/69/26/558156926.db2.gz	UCDNCCQJMRYOAB-MRXNPFEDSA-N	-1	3	360.370	2.092	20	30		FEEDHM
N#Cc1ccc(CS(=O)(=O)[N-][C@@H]2COc3cc(F)cc(F)c32)cc1	ZINC000377388434	558331190	/nfs/dbraw/zinc/33/11/90/558331190.db2.gz	XRSPAJVKTCNZGV-CQSZACIVSA-N	-1	3	350.346	2.390	20	30		FEEDHM
N#Cc1ccc(CS(=O)(=O)[N-][C@H]2COc3cc(F)cc(F)c32)cc1	ZINC000377388431	558331255	/nfs/dbraw/zinc/33/12/55/558331255.db2.gz	XRSPAJVKTCNZGV-AWEZNQCLSA-N	-1	3	350.346	2.390	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-]Cc1ccc(-c2cccnc2)cc1	ZINC000377411777	558335610	/nfs/dbraw/zinc/33/56/10/558335610.db2.gz	MIGAGMBSXVAROO-UHFFFAOYSA-N	-1	3	350.403	2.494	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-][C@H]1c2ccccc2CC12CCOCC2	ZINC000377722564	558405371	/nfs/dbraw/zinc/40/53/71/558405371.db2.gz	JPQBZTDPJGDAKP-SFHVURJKSA-N	-1	3	369.446	2.326	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@H](C2CCOCC2)C1	ZINC000378280578	558518677	/nfs/dbraw/zinc/51/86/77/558518677.db2.gz	FWSYQMORLCCEQS-MRXNPFEDSA-N	-1	3	357.454	2.483	20	30		FEEDHM
CN(C)[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1F)c1ccsc1	ZINC000523563028	562215394	/nfs/dbraw/zinc/21/53/94/562215394.db2.gz	IHDXMWCCKFZZEH-AWEZNQCLSA-N	-1	3	353.444	2.340	20	30		FEEDHM
COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCC#N)c2)cc1	ZINC000523669615	562217251	/nfs/dbraw/zinc/21/72/51/562217251.db2.gz	PBYDVJCKSCEXKE-UHFFFAOYSA-N	-1	3	359.407	2.058	20	30		FEEDHM
COC(=O)COc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)cc1	ZINC000525368904	562246801	/nfs/dbraw/zinc/24/68/01/562246801.db2.gz	DSULEDQRYNUNCD-UHFFFAOYSA-N	-1	3	360.391	2.219	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H](CO)c1ccc(F)cc1	ZINC000412751182	559054382	/nfs/dbraw/zinc/05/43/82/559054382.db2.gz	YXQZXUVRKBOHSB-OAHLLOKOSA-N	-1	3	371.412	2.240	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1C#N)[C@H]1CCOC1	ZINC000416408374	559310763	/nfs/dbraw/zinc/31/07/63/559310763.db2.gz	PPIYBQINMQVJHL-KOLCDFICSA-N	-1	3	359.245	2.024	20	30		FEEDHM
C=C(C)COCC[N-]S(=O)(=O)c1cc(Br)ccc1C#N	ZINC000416429681	559312348	/nfs/dbraw/zinc/31/23/48/559312348.db2.gz	WWBPNFKKFIURDM-UHFFFAOYSA-N	-1	3	359.245	2.192	20	30		FEEDHM
C[C@H](CO)CCC[N-]S(=O)(=O)c1cc(Br)ccc1C#N	ZINC000416444097	559313192	/nfs/dbraw/zinc/31/31/92/559313192.db2.gz	XHOHMANKSGVHLR-JTQLQIEISA-N	-1	3	361.261	2.008	20	30		FEEDHM
C[C@H]1[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2C#N)CCCN1C	ZINC000416458250	559314404	/nfs/dbraw/zinc/31/44/04/559314404.db2.gz	QDBIUSQHBZVGLY-GXFFZTMASA-N	-1	3	372.288	2.082	20	30		FEEDHM
CO[C@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1cc(Br)ccc1C#N	ZINC000416459033	559314587	/nfs/dbraw/zinc/31/45/87/559314587.db2.gz	QVRCVBZRHKSLLT-YPMHNXCESA-N	-1	3	373.272	2.414	20	30		FEEDHM
CC1(C)OCC[C@H]1[N-]S(=O)(=O)c1cc(Br)ccc1C#N	ZINC000416498347	559317929	/nfs/dbraw/zinc/31/79/29/559317929.db2.gz	VAMYXFQHOXXEEL-GFCCVEGCSA-N	-1	3	359.245	2.167	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-][C@H](c1ccc(F)cc1)[C@@H]1CCCO1	ZINC000428225714	559771818	/nfs/dbraw/zinc/77/18/18/559771818.db2.gz	FWGRQNWXYZKVGU-DOTOQJQBSA-N	-1	3	361.398	2.291	20	30		FEEDHM
CCOc1cc(Cl)ccc1C[N-]S(=O)(=O)c1cccnc1C#N	ZINC000428399354	559774764	/nfs/dbraw/zinc/77/47/64/559774764.db2.gz	HEOXLOCJYDJPBK-UHFFFAOYSA-N	-1	3	351.815	2.484	20	30		FEEDHM
Cc1cnc(C[N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)o1	ZINC000433870042	559889124	/nfs/dbraw/zinc/88/91/24/559889124.db2.gz	OMERCFBFGIYHDO-UHFFFAOYSA-N	-1	3	356.201	2.096	20	30		FEEDHM
CC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)s1)c1nnc2n1CCCCC2	ZINC000435419899	559922392	/nfs/dbraw/zinc/92/23/92/559922392.db2.gz	AIFGFVASAAYWMF-GFCCVEGCSA-N	-1	3	365.484	2.367	20	30		FEEDHM
C[C@@H](O)C[C@H](C[N-]S(=O)(=O)c1ccc(C#N)s1)c1ccccc1	ZINC000435445247	559923423	/nfs/dbraw/zinc/92/34/23/559923423.db2.gz	DLMONDRSYOMXFL-TZMCWYRMSA-N	-1	3	350.465	2.453	20	30		FEEDHM
C=C(C)[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cnccc1C(F)(F)F	ZINC000435594239	559925719	/nfs/dbraw/zinc/92/57/19/559925719.db2.gz	AHKUDFNYNWCZQJ-GWCFXTLKSA-N	-1	3	350.362	2.360	20	30		FEEDHM
CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)c1ccc(C#N)c([O-])c1	ZINC000442979910	560064937	/nfs/dbraw/zinc/06/49/37/560064937.db2.gz	VAQHTPLEKPILCK-HKUYNNGSSA-N	-1	3	350.422	2.424	20	30		FEEDHM
C=C[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1	ZINC000443197336	560074193	/nfs/dbraw/zinc/07/41/93/560074193.db2.gz	ADUSHFSSKCGBFD-JTQLQIEISA-N	-1	3	353.835	2.249	20	30		FEEDHM
C=C[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1	ZINC000443197336	560074194	/nfs/dbraw/zinc/07/41/94/560074194.db2.gz	ADUSHFSSKCGBFD-JTQLQIEISA-N	-1	3	353.835	2.249	20	30		FEEDHM
CC[C@@H]([N-]S(=O)(=O)c1ccc(CC#N)cc1Cl)[C@@H](O)C(F)F	ZINC000451714953	560324073	/nfs/dbraw/zinc/32/40/73/560324073.db2.gz	WMWIZBSXHAPKMH-ZYHUDNBSSA-N	-1	3	352.790	2.089	20	30		FEEDHM
C=CCC[C@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F	ZINC000452028603	560346573	/nfs/dbraw/zinc/34/65/73/560346573.db2.gz	YYWUBXZCMNXAFP-SECBINFHSA-N	-1	3	368.333	2.219	20	30		FEEDHM
N#C[C@@H](C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)c1nccc2ccccc21	ZINC000461799816	560784496	/nfs/dbraw/zinc/78/44/96/560784496.db2.gz	ZMAAUWIADJAPQL-MRXNPFEDSA-N	-1	3	356.341	2.364	20	30		FEEDHM
CC(C)O[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1(C)C	ZINC000463846754	560826359	/nfs/dbraw/zinc/82/63/59/560826359.db2.gz	LYZHCKSHYLJGML-HUUCEWRRSA-N	-1	3	367.427	2.337	20	30		FEEDHM
N#CC1(CS(=O)(=O)[N-]C[C@@H]2COc3ccccc3O2)CCCCC1	ZINC000475551279	561099865	/nfs/dbraw/zinc/09/98/65/561099865.db2.gz	XTWNSEJHSYZTPE-CQSZACIVSA-N	-1	3	350.440	2.220	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]CCc2ccncc2)c(C(F)(F)F)c1	ZINC000475759886	561104512	/nfs/dbraw/zinc/10/45/12/561104512.db2.gz	CHGXFOITYJKOOG-UHFFFAOYSA-N	-1	3	355.341	2.493	20	30		FEEDHM
Cc1ccccc1-c1nc(C[N-]S(=O)(=O)c2cccc(C#N)c2)no1	ZINC000477123099	561137292	/nfs/dbraw/zinc/13/72/92/561137292.db2.gz	BXOFZFHNYXFOQX-UHFFFAOYSA-N	-1	3	354.391	2.395	20	30		FEEDHM
CC(C)(C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N)C(=O)N1CCCC1	ZINC000528560586	562336523	/nfs/dbraw/zinc/33/65/23/562336523.db2.gz	LPHYEWROJXUVHS-UHFFFAOYSA-N	-1	3	369.874	2.139	20	30		FEEDHM
N#CC1(CS(=O)(=O)[N-]Cc2ncnn2-c2ccccc2)CCCCC1	ZINC000530373971	562408817	/nfs/dbraw/zinc/40/88/17/562408817.db2.gz	NFLFHOHFPQOTCV-UHFFFAOYSA-N	-1	3	359.455	2.161	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H]([C@@H]2CCOC2)C1	ZINC000533502905	562511017	/nfs/dbraw/zinc/51/10/17/562511017.db2.gz	LVUVBOXPURPTFX-JKSUJKDBSA-N	-1	3	357.454	2.483	20	30		FEEDHM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H](c1cccnc1)C1CC1	ZINC000536158451	562573375	/nfs/dbraw/zinc/57/33/75/562573375.db2.gz	VGMDYMRTCUJHCL-MRXNPFEDSA-N	-1	3	358.379	2.291	20	30		FEEDHM
C=CCCOCCCCC(=O)Nc1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1	ZINC000537196387	562587493	/nfs/dbraw/zinc/58/74/93/562587493.db2.gz	MTULABSFKIGYHP-LJQANCHMSA-N	-1	3	359.426	2.443	20	30		FEEDHM
N#CC(=C([O-])c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)c1ccncn1	ZINC000546154466	562634397	/nfs/dbraw/zinc/63/43/97/562634397.db2.gz	YGPOJGUHVONNRX-INIZCTEOSA-N	-1	3	372.340	2.356	20	30		FEEDHM
C=CCN(Cc1cccc([N+](=O)[O-])c1)Cc1nc2c(cnn2C)c(=O)[n-]1	ZINC000604488026	568302677	/nfs/dbraw/zinc/30/26/77/568302677.db2.gz	UFRLRAIRUQPJPF-UHFFFAOYSA-N	-1	3	354.370	2.165	20	30		FEEDHM
COC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)N(C)Cc1ccc(C#N)cc1	ZINC000736901577	598859492	/nfs/dbraw/zinc/85/94/92/598859492.db2.gz	MANOQAOIOJMLDR-QGZVFWFLSA-N	-1	3	362.393	2.084	20	30		FEEDHM
COC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N(C)Cc1ccc(C#N)cc1	ZINC000736901577	598859493	/nfs/dbraw/zinc/85/94/93/598859493.db2.gz	MANOQAOIOJMLDR-QGZVFWFLSA-N	-1	3	362.393	2.084	20	30		FEEDHM
Cc1cn2c(C=NNCc3ccc(-c4nn[n-]n4)cc3)c(C)nc2s1	ZINC000822388991	607252726	/nfs/dbraw/zinc/25/27/26/607252726.db2.gz	IDZAPXOQKTUUPA-UHFFFAOYSA-N	-1	3	352.427	2.316	20	30		FEEDHM
Cc1nn(C(F)F)c(C)c1CC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1	ZINC000737509964	598913996	/nfs/dbraw/zinc/91/39/96/598913996.db2.gz	QMCNNMURWGHQRX-UHFFFAOYSA-N	-1	3	372.339	2.128	20	30		FEEDHM
Cc1nn(C(F)F)c(C)c1CC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1	ZINC000737509964	598913997	/nfs/dbraw/zinc/91/39/97/598913997.db2.gz	QMCNNMURWGHQRX-UHFFFAOYSA-N	-1	3	372.339	2.128	20	30		FEEDHM
CCC(=O)Nc1cccc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c1	ZINC000736310418	598915040	/nfs/dbraw/zinc/91/50/40/598915040.db2.gz	YWPCIRWRYJUBPC-UHFFFAOYSA-N	-1	3	361.365	2.339	20	30		FEEDHM
CCC(=O)Nc1cccc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c1	ZINC000736310418	598915042	/nfs/dbraw/zinc/91/50/42/598915042.db2.gz	YWPCIRWRYJUBPC-UHFFFAOYSA-N	-1	3	361.365	2.339	20	30		FEEDHM
CCOc1ccc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1OC	ZINC000736636436	598919717	/nfs/dbraw/zinc/91/97/17/598919717.db2.gz	IVNYOVJWADESOS-UHFFFAOYSA-N	-1	3	364.365	2.398	20	30		FEEDHM
CCOc1ccc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1OC	ZINC000736636436	598919719	/nfs/dbraw/zinc/91/97/19/598919719.db2.gz	IVNYOVJWADESOS-UHFFFAOYSA-N	-1	3	364.365	2.398	20	30		FEEDHM
N#Cc1cc(NC(=O)c2ccn(-c3ccccc3)n2)ccc1-c1nnn[n-]1	ZINC000737709646	598920444	/nfs/dbraw/zinc/92/04/44/598920444.db2.gz	POOWSWFIRNXGAQ-UHFFFAOYSA-N	-1	3	356.349	2.176	20	30		FEEDHM
N#Cc1cc(NC(=O)c2ccn(-c3ccccc3)n2)ccc1-c1nn[n-]n1	ZINC000737709646	598920445	/nfs/dbraw/zinc/92/04/45/598920445.db2.gz	POOWSWFIRNXGAQ-UHFFFAOYSA-N	-1	3	356.349	2.176	20	30		FEEDHM
C#CCOc1ccccc1CNC(=S)Nc1ccccc1-c1nnn[n-]1	ZINC000735388303	598925031	/nfs/dbraw/zinc/92/50/31/598925031.db2.gz	XGWKHCYZQNIRNT-UHFFFAOYSA-N	-1	3	364.434	2.365	20	30		FEEDHM
C#CCOc1ccccc1CNC(=S)Nc1ccccc1-c1nn[n-]n1	ZINC000735388303	598925033	/nfs/dbraw/zinc/92/50/33/598925033.db2.gz	XGWKHCYZQNIRNT-UHFFFAOYSA-N	-1	3	364.434	2.365	20	30		FEEDHM
C=CC[C@H](NC(=O)COc1ccc(-c2nn[n-]n2)cc1)c1ccncc1	ZINC000735409807	598969223	/nfs/dbraw/zinc/96/92/23/598969223.db2.gz	LMYXQPBXSWZMBL-INIZCTEOSA-N	-1	3	350.382	2.074	20	30		FEEDHM
CCn1nc(C)c(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c1Cl	ZINC000736728715	599196879	/nfs/dbraw/zinc/19/68/79/599196879.db2.gz	PBOAUCZSJVFCGK-UHFFFAOYSA-N	-1	3	356.777	2.169	20	30		FEEDHM
CCn1nc(C)c(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c1Cl	ZINC000736728715	599196881	/nfs/dbraw/zinc/19/68/81/599196881.db2.gz	PBOAUCZSJVFCGK-UHFFFAOYSA-N	-1	3	356.777	2.169	20	30		FEEDHM
C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(CCN2CCSCC2)cc1	ZINC000819846687	598225771	/nfs/dbraw/zinc/22/57/71/598225771.db2.gz	FNHOCHKAOQVSIM-GOSISDBHSA-N	-1	3	361.467	2.221	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CCCC(=O)NCCC	ZINC000735418104	598258038	/nfs/dbraw/zinc/25/80/38/598258038.db2.gz	AILSRQLKMAJOAA-UHFFFAOYSA-N	-1	3	370.457	2.078	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CCCC(=O)NCCC	ZINC000735418104	598258039	/nfs/dbraw/zinc/25/80/39/598258039.db2.gz	AILSRQLKMAJOAA-UHFFFAOYSA-N	-1	3	370.457	2.078	20	30		FEEDHM
C#CCOc1ccc(NC(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)cc1	ZINC000735380693	598494356	/nfs/dbraw/zinc/49/43/56/598494356.db2.gz	LFFAXHPFVFZXFJ-ZDUSSCGKSA-N	-1	3	363.377	2.285	20	30		FEEDHM
C#CCOc1ccc(NC(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)cc1	ZINC000735380693	598494357	/nfs/dbraw/zinc/49/43/57/598494357.db2.gz	LFFAXHPFVFZXFJ-ZDUSSCGKSA-N	-1	3	363.377	2.285	20	30		FEEDHM
N#Cc1ccc(N2CCC[C@H]2C(=O)OCc2ccccc2-c2nnn[n-]2)cc1	ZINC000737719437	598620677	/nfs/dbraw/zinc/62/06/77/598620677.db2.gz	UREJESQONDZCAC-SFHVURJKSA-N	-1	3	374.404	2.451	20	30		FEEDHM
N#Cc1ccc(N2CCC[C@H]2C(=O)OCc2ccccc2-c2nn[n-]n2)cc1	ZINC000737719437	598620678	/nfs/dbraw/zinc/62/06/78/598620678.db2.gz	UREJESQONDZCAC-SFHVURJKSA-N	-1	3	374.404	2.451	20	30		FEEDHM
N#Cc1ccc(NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)nc1	ZINC000737716562	598663143	/nfs/dbraw/zinc/66/31/43/598663143.db2.gz	RWZYQSZPJZNJDS-UHFFFAOYSA-N	-1	3	363.381	2.321	20	30		FEEDHM
N#Cc1ccc(NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)nc1	ZINC000737716562	598663145	/nfs/dbraw/zinc/66/31/45/598663145.db2.gz	RWZYQSZPJZNJDS-UHFFFAOYSA-N	-1	3	363.381	2.321	20	30		FEEDHM
C#CCCS(=O)(=O)[N-][C@@H](Cc1cccc2ccccc21)C(=O)OCC	ZINC000808307447	674451433	/nfs/dbraw/zinc/45/14/33/674451433.db2.gz	QOJXQFDRBLVEDT-SFHVURJKSA-N	-1	3	359.447	2.257	20	30		FEEDHM
C#CCOc1ccc(F)cc1NCC(=O)Nc1cccc(-c2nnn[n-]2)c1	ZINC000735381742	599329358	/nfs/dbraw/zinc/32/93/58/599329358.db2.gz	YZKKYWSJSOOFAM-UHFFFAOYSA-N	-1	3	366.356	2.068	20	30		FEEDHM
C#CCOc1ccc(F)cc1NCC(=O)Nc1cccc(-c2nn[n-]n2)c1	ZINC000735381742	599329360	/nfs/dbraw/zinc/32/93/60/599329360.db2.gz	YZKKYWSJSOOFAM-UHFFFAOYSA-N	-1	3	366.356	2.068	20	30		FEEDHM
C=CCN(CC=C)C(=O)CNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1	ZINC000735419528	599332166	/nfs/dbraw/zinc/33/21/66/599332166.db2.gz	UKHSFIOBNGICCD-UHFFFAOYSA-N	-1	3	366.347	2.498	20	30		FEEDHM
C=CCN(CC=C)C(=O)CNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1	ZINC000735419528	599332168	/nfs/dbraw/zinc/33/21/68/599332168.db2.gz	UKHSFIOBNGICCD-UHFFFAOYSA-N	-1	3	366.347	2.498	20	30		FEEDHM
O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1ccc2c(c1)CCO2	ZINC000737804657	599461705	/nfs/dbraw/zinc/46/17/05/599461705.db2.gz	CZPAYKFZDLSLDD-ONEGZZNKSA-N	-1	3	358.361	2.345	20	30		FEEDHM
O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1ccc2c(c1)CCO2	ZINC000737804657	599461708	/nfs/dbraw/zinc/46/17/08/599461708.db2.gz	CZPAYKFZDLSLDD-ONEGZZNKSA-N	-1	3	358.361	2.345	20	30		FEEDHM
O=C1C(=Cc2cnc3ccc(-c4nnn[n-]4)cn23)COc2ccc(F)cc21	ZINC000738288354	599463736	/nfs/dbraw/zinc/46/37/36/599463736.db2.gz	BVCYCINUOXWCHO-WZUFQYTHSA-N	-1	3	362.324	2.312	20	30		FEEDHM
O=C1C(=Cc2cnc3ccc(-c4nn[n-]n4)cn23)COc2ccc(F)cc21	ZINC000738288354	599463737	/nfs/dbraw/zinc/46/37/37/599463737.db2.gz	BVCYCINUOXWCHO-WZUFQYTHSA-N	-1	3	362.324	2.312	20	30		FEEDHM
C[C@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1cccc(C#N)c1	ZINC000820365135	599483831	/nfs/dbraw/zinc/48/38/31/599483831.db2.gz	HPQYKFZYRNQYFG-NSHDSACASA-N	-1	3	365.372	2.438	20	30		FEEDHM
C[C@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1cccc(C#N)c1	ZINC000820365135	599483834	/nfs/dbraw/zinc/48/38/34/599483834.db2.gz	HPQYKFZYRNQYFG-NSHDSACASA-N	-1	3	365.372	2.438	20	30		FEEDHM
N#CCN(Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)C1CCCC1	ZINC000822811340	599577048	/nfs/dbraw/zinc/57/70/48/599577048.db2.gz	WUBUNOWALMOOOD-UHFFFAOYSA-N	-1	3	350.386	2.185	20	30		FEEDHM
N#CCN(Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)C1CCCC1	ZINC000822811340	599577050	/nfs/dbraw/zinc/57/70/50/599577050.db2.gz	WUBUNOWALMOOOD-UHFFFAOYSA-N	-1	3	350.386	2.185	20	30		FEEDHM
N#Cc1ccc(C(=O)OCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)cc1	ZINC000822826317	599648859	/nfs/dbraw/zinc/64/88/59/599648859.db2.gz	WFYZVWHAGFTGTN-UHFFFAOYSA-N	-1	3	373.332	2.145	20	30		FEEDHM
N#Cc1ccc(C(=O)OCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)cc1	ZINC000822826317	599648860	/nfs/dbraw/zinc/64/88/60/599648860.db2.gz	WFYZVWHAGFTGTN-UHFFFAOYSA-N	-1	3	373.332	2.145	20	30		FEEDHM
Cc1c(CC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cccc1[N+](=O)[O-]	ZINC000826236272	607431928	/nfs/dbraw/zinc/43/19/28/607431928.db2.gz	FVDKLZMBGBPHFF-UHFFFAOYSA-N	-1	3	363.337	2.136	20	30		FEEDHM
Cc1c(CC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cccc1[N+](=O)[O-]	ZINC000826236272	607431930	/nfs/dbraw/zinc/43/19/30/607431930.db2.gz	FVDKLZMBGBPHFF-UHFFFAOYSA-N	-1	3	363.337	2.136	20	30		FEEDHM
N#Cc1ccc(CNC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1	ZINC000826384582	607448924	/nfs/dbraw/zinc/44/89/24/607448924.db2.gz	BEHSBZSQSCHIQX-UHFFFAOYSA-N	-1	3	359.393	2.227	20	30		FEEDHM
N#Cc1ccc(CNC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1	ZINC000826384582	607448926	/nfs/dbraw/zinc/44/89/26/607448926.db2.gz	BEHSBZSQSCHIQX-UHFFFAOYSA-N	-1	3	359.393	2.227	20	30		FEEDHM
N#Cc1ccc(C2=NC(=Cc3ccc(-c4nnn[n-]4)cc3F)C(=O)O2)cc1	ZINC000822826049	607455091	/nfs/dbraw/zinc/45/50/91/607455091.db2.gz	STPKVLMBEQXIKF-NVNXTCNLSA-N	-1	3	360.308	2.222	20	30		FEEDHM
N#Cc1ccc(C2=NC(=Cc3ccc(-c4nn[n-]n4)cc3F)C(=O)O2)cc1	ZINC000822826049	607455093	/nfs/dbraw/zinc/45/50/93/607455093.db2.gz	STPKVLMBEQXIKF-NVNXTCNLSA-N	-1	3	360.308	2.222	20	30		FEEDHM
O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1ccc2[nH]c(=O)[nH]c2c1	ZINC000822923552	607458969	/nfs/dbraw/zinc/45/89/69/607458969.db2.gz	SWYOBHNARCDAQI-GQCTYLIASA-N	-1	3	350.313	2.484	20	30		FEEDHM
O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1ccc2[nH]c(=O)[nH]c2c1	ZINC000822923552	607458970	/nfs/dbraw/zinc/45/89/70/607458970.db2.gz	SWYOBHNARCDAQI-GQCTYLIASA-N	-1	3	350.313	2.484	20	30		FEEDHM
N#Cc1ccc(-c2nnc(CN(CCC(=O)[O-])C3CCOCC3)o2)cc1	ZINC000833070515	600858260	/nfs/dbraw/zinc/85/82/60/600858260.db2.gz	KBYZWOVHBLJFDF-UHFFFAOYSA-N	-1	3	356.382	2.064	20	30		FEEDHM
Cc1ccc(N2CCC[C@@H]([N-]S(=O)(=O)CC3(C#N)CCC3)C2=O)cc1	ZINC000809820546	674512609	/nfs/dbraw/zinc/51/26/09/674512609.db2.gz	AMQKWRRFWPYPCG-MRXNPFEDSA-N	-1	3	361.467	2.104	20	30		FEEDHM
CON=Cc1ccc(C(=O)OCc2ccc(OC)c(-c3nnn[n-]3)c2)cc1	ZINC000826166502	607593475	/nfs/dbraw/zinc/59/34/75/607593475.db2.gz	NZQNQFNPUQGWTN-UHFFFAOYSA-N	-1	3	367.365	2.213	20	30		FEEDHM
CON=Cc1ccc(C(=O)OCc2ccc(OC)c(-c3nn[n-]n3)c2)cc1	ZINC000826166502	607593476	/nfs/dbraw/zinc/59/34/76/607593476.db2.gz	NZQNQFNPUQGWTN-UHFFFAOYSA-N	-1	3	367.365	2.213	20	30		FEEDHM
C[C@H]1CN(CC(=O)C(C#N)c2nc3ccccc3s2)CCN1C(=O)[O-]	ZINC000739175245	603361711	/nfs/dbraw/zinc/36/17/11/603361711.db2.gz	KCIRFMRUMISDLH-RYUDHWBXSA-N	-1	3	358.423	2.157	20	30		FEEDHM
CCCN(CC(=O)Nc1sccc1C#N)C1CCN(C(=O)[O-])CC1	ZINC000826904435	605480194	/nfs/dbraw/zinc/48/01/94/605480194.db2.gz	UCGZEQSTVZUAHO-UHFFFAOYSA-N	-1	3	350.444	2.413	20	30		FEEDHM
CCn1c(=O)c2ccccc2nc1NN=Cc1cc(-c2nnn[n-]2)cs1	ZINC000821563812	606203948	/nfs/dbraw/zinc/20/39/48/606203948.db2.gz	GPIWQVYWYPNVCP-UHFFFAOYSA-N	-1	3	366.410	2.104	20	30		FEEDHM
CCn1c(=O)c2ccccc2nc1NN=Cc1cc(-c2nn[n-]n2)cs1	ZINC000821563812	606203949	/nfs/dbraw/zinc/20/39/49/606203949.db2.gz	GPIWQVYWYPNVCP-UHFFFAOYSA-N	-1	3	366.410	2.104	20	30		FEEDHM
C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(F)cc1C#N	ZINC000820527492	606264615	/nfs/dbraw/zinc/26/46/15/606264615.db2.gz	LKMNRMMUAFZDCD-SNVBAGLBSA-N	-1	3	352.329	2.283	20	30		FEEDHM
C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)c1cc(C#N)cs1	ZINC000820293866	606466007	/nfs/dbraw/zinc/46/60/07/606466007.db2.gz	QAJVMUXJMYOLHW-JTQLQIEISA-N	-1	3	355.379	2.424	20	30		FEEDHM
C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)c1cc(C#N)cs1	ZINC000820293866	606466009	/nfs/dbraw/zinc/46/60/09/606466009.db2.gz	QAJVMUXJMYOLHW-JTQLQIEISA-N	-1	3	355.379	2.424	20	30		FEEDHM
Cc1ccsc1-c1noc(C/N=C2/[N-]S(=O)(=O)c3ccccc32)n1	ZINC000810317444	674540432	/nfs/dbraw/zinc/54/04/32/674540432.db2.gz	QVPRNFBPENLIOP-UHFFFAOYSA-N	-1	3	360.420	2.345	20	30		FEEDHM
C=CCCO[C@@H](C)C(=O)OCc1ccc(-c2nnn[n-]2)cc1OC(F)F	ZINC000819739911	606557961	/nfs/dbraw/zinc/55/79/61/606557961.db2.gz	KKZLFTNGZQQIMC-JTQLQIEISA-N	-1	3	368.340	2.493	20	30		FEEDHM
C=CCCO[C@@H](C)C(=O)OCc1ccc(-c2nn[n-]n2)cc1OC(F)F	ZINC000819739911	606557963	/nfs/dbraw/zinc/55/79/63/606557963.db2.gz	KKZLFTNGZQQIMC-JTQLQIEISA-N	-1	3	368.340	2.493	20	30		FEEDHM
Cn1cc(C#N)cc1C(=O)OCc1ccc(-c2nnn[n-]2)cc1OC(F)F	ZINC000822669734	606561133	/nfs/dbraw/zinc/56/11/33/606561133.db2.gz	NGRCOASZDPBXPR-UHFFFAOYSA-N	-1	3	374.307	2.035	20	30		FEEDHM
Cn1cc(C#N)cc1C(=O)OCc1ccc(-c2nn[n-]n2)cc1OC(F)F	ZINC000822669734	606561135	/nfs/dbraw/zinc/56/11/35/606561135.db2.gz	NGRCOASZDPBXPR-UHFFFAOYSA-N	-1	3	374.307	2.035	20	30		FEEDHM
N#Cc1csc(C(=O)OCc2cn3ccccc3c2-c2nnn[n-]2)c1	ZINC000822845732	606562827	/nfs/dbraw/zinc/56/28/27/606562827.db2.gz	GGRFIQUQSBBNGW-UHFFFAOYSA-N	-1	3	350.363	2.410	20	30		FEEDHM
N#Cc1csc(C(=O)OCc2cn3ccccc3c2-c2nn[n-]n2)c1	ZINC000822845732	606562829	/nfs/dbraw/zinc/56/28/29/606562829.db2.gz	GGRFIQUQSBBNGW-UHFFFAOYSA-N	-1	3	350.363	2.410	20	30		FEEDHM
N#Cc1ccc(NC(=O)COc2cc(Cl)ccc2-c2nnn[n-]2)cc1	ZINC000822830058	606779454	/nfs/dbraw/zinc/77/94/54/606779454.db2.gz	TUHIWNFDJOECTO-UHFFFAOYSA-N	-1	3	354.757	2.409	20	30		FEEDHM
N#Cc1ccc(NC(=O)COc2cc(Cl)ccc2-c2nn[n-]n2)cc1	ZINC000822830058	606779455	/nfs/dbraw/zinc/77/94/55/606779455.db2.gz	TUHIWNFDJOECTO-UHFFFAOYSA-N	-1	3	354.757	2.409	20	30		FEEDHM
c1cc(OCCCON=C2CCC3(CC2)OCCO3)cc(-c2nnn[n-]2)c1	ZINC000823762389	606838974	/nfs/dbraw/zinc/83/89/74/606838974.db2.gz	NRXYXIGHWNWEDR-UHFFFAOYSA-N	-1	3	373.413	2.325	20	30		FEEDHM
c1cc(OCCCON=C2CCC3(CC2)OCCO3)cc(-c2nn[n-]n2)c1	ZINC000823762389	606838975	/nfs/dbraw/zinc/83/89/75/606838975.db2.gz	NRXYXIGHWNWEDR-UHFFFAOYSA-N	-1	3	373.413	2.325	20	30		FEEDHM
COC(=O)[C@@H](C)Oc1ccc(C=NNc2ccc(-c3nn[n-]n3)cc2)cc1	ZINC000821640172	606918375	/nfs/dbraw/zinc/91/83/75/606918375.db2.gz	CDOBAPMTDLBUAT-GFCCVEGCSA-N	-1	3	366.381	2.253	20	30		FEEDHM
N#Cc1ccc(C(=O)OCCCOc2cccc(-c3nnn[n-]3)c2)s1	ZINC000822826048	606950064	/nfs/dbraw/zinc/95/00/64/606950064.db2.gz	STFJRPAPPMNCME-UHFFFAOYSA-N	-1	3	355.379	2.426	20	30		FEEDHM
N#Cc1ccc(C(=O)OCCCOc2cccc(-c3nn[n-]n3)c2)s1	ZINC000822826048	606950066	/nfs/dbraw/zinc/95/00/66/606950066.db2.gz	STFJRPAPPMNCME-UHFFFAOYSA-N	-1	3	355.379	2.426	20	30		FEEDHM
C#CCCCCNC(=O)c1cc(C2CC2)nc(SC)c1-c1nnn[n-]1	ZINC000819693067	606955315	/nfs/dbraw/zinc/95/53/15/606955315.db2.gz	MXKWAGCZHVQXDF-UHFFFAOYSA-N	-1	3	356.455	2.394	20	30		FEEDHM
C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Oc1ccc(C#N)cc1F	ZINC000820535714	607249106	/nfs/dbraw/zinc/24/91/06/607249106.db2.gz	QHPGUWDWYJDFBW-JTQLQIEISA-N	-1	3	353.313	2.250	20	30		FEEDHM
N#C[C@@H](C(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1nc2ccccc2n1C(F)F	ZINC000826379356	607776605	/nfs/dbraw/zinc/77/66/05/607776605.db2.gz	PSANLTJUAZHFAR-QMMMGPOBSA-N	-1	3	368.307	2.430	20	30		FEEDHM
CCc1c(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cnn1CC(C)C	ZINC000825688370	607927312	/nfs/dbraw/zinc/92/73/12/607927312.db2.gz	WRLXFOCFZHCFTE-UHFFFAOYSA-N	-1	3	364.413	2.406	20	30		FEEDHM
CCc1c(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cnn1CC(C)C	ZINC000825688370	607927313	/nfs/dbraw/zinc/92/73/13/607927313.db2.gz	WRLXFOCFZHCFTE-UHFFFAOYSA-N	-1	3	364.413	2.406	20	30		FEEDHM
C#CCNC(=S)Nc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1	ZINC000823849967	607966061	/nfs/dbraw/zinc/96/60/61/607966061.db2.gz	FGZMGDOAXPBVNN-UHFFFAOYSA-N	-1	3	364.434	2.365	20	30		FEEDHM
C#CCNC(=S)Nc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1	ZINC000823849967	607966062	/nfs/dbraw/zinc/96/60/62/607966062.db2.gz	FGZMGDOAXPBVNN-UHFFFAOYSA-N	-1	3	364.434	2.365	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=S)NC[C@H]1CCCCO1	ZINC000823915325	607966818	/nfs/dbraw/zinc/96/68/18/607966818.db2.gz	UVYYQXGXGLWZCI-MRXNPFEDSA-N	-1	3	372.498	2.298	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=S)NC[C@H]1CCCCO1	ZINC000823915325	607966819	/nfs/dbraw/zinc/96/68/19/607966819.db2.gz	UVYYQXGXGLWZCI-MRXNPFEDSA-N	-1	3	372.498	2.298	20	30		FEEDHM
COc1ccc(CON=C2CCN(C(=O)C(C)C)CC2)cc1-c1nnn[n-]1	ZINC000826207089	607972152	/nfs/dbraw/zinc/97/21/52/607972152.db2.gz	ZTORLIYXKTVJJD-UHFFFAOYSA-N	-1	3	372.429	2.026	20	30		FEEDHM
COc1ccc(CON=C2CCN(C(=O)C(C)C)CC2)cc1-c1nn[n-]n1	ZINC000826207089	607972153	/nfs/dbraw/zinc/97/21/53/607972153.db2.gz	ZTORLIYXKTVJJD-UHFFFAOYSA-N	-1	3	372.429	2.026	20	30		FEEDHM
COc1ccc(CON=Cc2c(C)nc3sccn23)cc1-c1nnn[n-]1	ZINC000826206862	607972730	/nfs/dbraw/zinc/97/27/30/607972730.db2.gz	OLJBKNOCZVBXJT-UHFFFAOYSA-N	-1	3	369.410	2.444	20	30		FEEDHM
COc1ccc(CON=Cc2c(C)nc3sccn23)cc1-c1nn[n-]n1	ZINC000826206862	607972731	/nfs/dbraw/zinc/97/27/31/607972731.db2.gz	OLJBKNOCZVBXJT-UHFFFAOYSA-N	-1	3	369.410	2.444	20	30		FEEDHM
COc1ccc(-c2nnn[n-]2)cc1CON=Cc1cccc(OC)c1OC	ZINC000826185130	608151092	/nfs/dbraw/zinc/15/10/92/608151092.db2.gz	ZTEBVELUYSFGAX-UHFFFAOYSA-N	-1	3	369.381	2.443	20	30		FEEDHM
COc1ccc(-c2nn[n-]n2)cc1CON=Cc1cccc(OC)c1OC	ZINC000826185130	608151094	/nfs/dbraw/zinc/15/10/94/608151094.db2.gz	ZTEBVELUYSFGAX-UHFFFAOYSA-N	-1	3	369.381	2.443	20	30		FEEDHM
CCCn1ncc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c1C1CC1	ZINC000825361580	608307680	/nfs/dbraw/zinc/30/76/80/608307680.db2.gz	FWYQPQYQOVWLDX-UHFFFAOYSA-N	-1	3	362.397	2.475	20	30		FEEDHM
CCCn1ncc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c1C1CC1	ZINC000825361580	608307682	/nfs/dbraw/zinc/30/76/82/608307682.db2.gz	FWYQPQYQOVWLDX-UHFFFAOYSA-N	-1	3	362.397	2.475	20	30		FEEDHM
C=CCOc1cccnc1C(=O)OCc1cccc(-c2nnn[n-]2)c1F	ZINC000823932187	608457146	/nfs/dbraw/zinc/45/71/46/608457146.db2.gz	RNSLTGBTGVLGSA-UHFFFAOYSA-N	-1	3	355.329	2.323	20	30		FEEDHM
C=CCOc1cccnc1C(=O)OCc1cccc(-c2nn[n-]n2)c1F	ZINC000823932187	608457147	/nfs/dbraw/zinc/45/71/47/608457147.db2.gz	RNSLTGBTGVLGSA-UHFFFAOYSA-N	-1	3	355.329	2.323	20	30		FEEDHM
C=CCOc1cccnc1C(=O)OCc1cc(-c2nn[n-]n2)ccc1OC	ZINC000823932322	608457458	/nfs/dbraw/zinc/45/74/58/608457458.db2.gz	USLHZFDDDMOKAM-UHFFFAOYSA-N	-1	3	367.365	2.192	20	30		FEEDHM
COc1ccc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)cc1C#N	ZINC000826190875	608534258	/nfs/dbraw/zinc/53/42/58/608534258.db2.gz	PXPDWEFDYKUWRJ-UHFFFAOYSA-N	-1	3	354.761	2.241	20	30		FEEDHM
COc1ccc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)cc1C#N	ZINC000826190875	608534259	/nfs/dbraw/zinc/53/42/59/608534259.db2.gz	PXPDWEFDYKUWRJ-UHFFFAOYSA-N	-1	3	354.761	2.241	20	30		FEEDHM
Clc1cc(-c2nnn[n-]2)cc(N=NCc2nc(-c3ccccc3)no2)n1	ZINC000826350743	608536782	/nfs/dbraw/zinc/53/67/82/608536782.db2.gz	JDRDBBZOPDMUQO-UHFFFAOYSA-N	-1	3	367.760	2.411	20	30		FEEDHM
Clc1cc(-c2nn[n-]n2)cc(N=NCc2nc(-c3ccccc3)no2)n1	ZINC000826350743	608536784	/nfs/dbraw/zinc/53/67/84/608536784.db2.gz	JDRDBBZOPDMUQO-UHFFFAOYSA-N	-1	3	367.760	2.411	20	30		FEEDHM
COc1ccc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)c(OC)c1	ZINC000826190485	608537735	/nfs/dbraw/zinc/53/77/35/608537735.db2.gz	CROXNKGQGZZLJL-UHFFFAOYSA-N	-1	3	359.777	2.378	20	30		FEEDHM
COc1ccc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)c(OC)c1	ZINC000826190485	608537737	/nfs/dbraw/zinc/53/77/37/608537737.db2.gz	CROXNKGQGZZLJL-UHFFFAOYSA-N	-1	3	359.777	2.378	20	30		FEEDHM
N#CCOc1ccc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)cc1	ZINC000826381816	608538014	/nfs/dbraw/zinc/53/80/14/608538014.db2.gz	AEVYTLBKXGXCAA-UHFFFAOYSA-N	-1	3	354.761	2.263	20	30		FEEDHM
N#CCOc1ccc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)cc1	ZINC000826381816	608538015	/nfs/dbraw/zinc/53/80/15/608538015.db2.gz	AEVYTLBKXGXCAA-UHFFFAOYSA-N	-1	3	354.761	2.263	20	30		FEEDHM
C=CCOc1cccnc1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OCC	ZINC000823931688	608538958	/nfs/dbraw/zinc/53/89/58/608538958.db2.gz	DEAVFRURFCKCJE-UHFFFAOYSA-N	-1	3	366.381	2.478	20	30		FEEDHM
Cn1cnc2cc(CN=Nc3cc(-c4nnn[n-]4)cc(Cl)n3)ccc21	ZINC000826365194	608539667	/nfs/dbraw/zinc/53/96/67/608539667.db2.gz	FJFBWASEASTHRX-UHFFFAOYSA-N	-1	3	353.777	2.248	20	30		FEEDHM
Cn1cnc2cc(CN=Nc3cc(-c4nn[n-]n4)cc(Cl)n3)ccc21	ZINC000826365194	608539668	/nfs/dbraw/zinc/53/96/68/608539668.db2.gz	FJFBWASEASTHRX-UHFFFAOYSA-N	-1	3	353.777	2.248	20	30		FEEDHM
FC(F)(F)Cn1ccnc1CN=Nc1cc(-c2nnn[n-]2)cc(Cl)n1	ZINC000826367996	608539714	/nfs/dbraw/zinc/53/97/14/608539714.db2.gz	XTVUVRCGHWBNLO-UHFFFAOYSA-N	-1	3	371.714	2.120	20	30		FEEDHM
FC(F)(F)Cn1ccnc1CN=Nc1cc(-c2nn[n-]n2)cc(Cl)n1	ZINC000826367996	608539715	/nfs/dbraw/zinc/53/97/15/608539715.db2.gz	XTVUVRCGHWBNLO-UHFFFAOYSA-N	-1	3	371.714	2.120	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCO[C@@H](C)C1	ZINC000823910060	608842172	/nfs/dbraw/zinc/84/21/72/608842172.db2.gz	WUHPBHQQKXIFTH-XJKSGUPXSA-N	-1	3	356.430	2.132	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CCO[C@@H](C)C1	ZINC000823910060	608842174	/nfs/dbraw/zinc/84/21/74/608842174.db2.gz	WUHPBHQQKXIFTH-XJKSGUPXSA-N	-1	3	356.430	2.132	20	30		FEEDHM
C#CCCCCCC(=O)N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1	ZINC000823841549	609147550	/nfs/dbraw/zinc/14/75/50/609147550.db2.gz	ORVQYLBGMTYTEO-UHFFFAOYSA-N	-1	3	370.432	2.238	20	30		FEEDHM
C#CCCCCCC(=O)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1	ZINC000823841549	609147552	/nfs/dbraw/zinc/14/75/52/609147552.db2.gz	ORVQYLBGMTYTEO-UHFFFAOYSA-N	-1	3	370.432	2.238	20	30		FEEDHM
N#CCc1ccccc1CC(=O)OCc1ccc(-c2nnn[n-]2)cc1F	ZINC000826382783	609244863	/nfs/dbraw/zinc/24/48/63/609244863.db2.gz	USVWUEVOOUZKTB-UHFFFAOYSA-N	-1	3	351.341	2.358	20	30		FEEDHM
N#CCc1ccccc1CC(=O)OCc1ccc(-c2nn[n-]n2)cc1F	ZINC000826382783	609244865	/nfs/dbraw/zinc/24/48/65/609244865.db2.gz	USVWUEVOOUZKTB-UHFFFAOYSA-N	-1	3	351.341	2.358	20	30		FEEDHM
Cc1nnc(SCC(=O)c2ccc(-c3nnn[n-]3)cc2)c(C#N)c1C	ZINC000826336689	609305847	/nfs/dbraw/zinc/30/58/47/609305847.db2.gz	JPTAYFABMNYIPE-UHFFFAOYSA-N	-1	3	351.395	2.120	20	30		FEEDHM
Cc1nnc(SCC(=O)c2ccc(-c3nn[n-]n3)cc2)c(C#N)c1C	ZINC000826336689	609305849	/nfs/dbraw/zinc/30/58/49/609305849.db2.gz	JPTAYFABMNYIPE-UHFFFAOYSA-N	-1	3	351.395	2.120	20	30		FEEDHM
COC(=O)COc1ccc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)cc1	ZINC000826138367	609442143	/nfs/dbraw/zinc/44/21/43/609442143.db2.gz	RFQLAXUFEBFDGI-YFHOEESVSA-N	-1	3	364.361	2.315	20	30		FEEDHM
COC(=O)COc1ccc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)cc1	ZINC000826138367	609442144	/nfs/dbraw/zinc/44/21/44/609442144.db2.gz	RFQLAXUFEBFDGI-YFHOEESVSA-N	-1	3	364.361	2.315	20	30		FEEDHM
C#CCCCCCC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1	ZINC000823842230	609546464	/nfs/dbraw/zinc/54/64/64/609546464.db2.gz	ZHCMSQATMRGFLC-UHFFFAOYSA-N	-1	3	370.432	2.238	20	30		FEEDHM
C#CCCCCCC(=O)O[C@@H](C(=O)OC)c1cccc(-c2nnn[n-]2)c1	ZINC000823841132	609641588	/nfs/dbraw/zinc/64/15/88/609641588.db2.gz	IZKIACZYHMWTHW-MRXNPFEDSA-N	-1	3	356.382	2.208	20	30		FEEDHM
C#CCCCCCC(=O)O[C@@H](C(=O)OC)c1cccc(-c2nn[n-]n2)c1	ZINC000823841132	609641590	/nfs/dbraw/zinc/64/15/90/609641590.db2.gz	IZKIACZYHMWTHW-MRXNPFEDSA-N	-1	3	356.382	2.208	20	30		FEEDHM
COc1cc(C=NNc2cn[nH]c(=O)c2Cl)cc(Br)c1[O-]	ZINC000003946979	669947019	/nfs/dbraw/zinc/94/70/19/669947019.db2.gz	HHUJKKRNXCJAIO-UHFFFAOYSA-N	-1	3	373.594	2.346	20	30		FEEDHM
O=C(COc1ccc(C2SCCCS2)cc1)N[C@@H]1CCN([O-])C1=O	ZINC000816696200	675073631	/nfs/dbraw/zinc/07/36/31/675073631.db2.gz	UBYUNXPZOLELNW-CYBMUJFWSA-N	-1	3	368.480	2.040	20	30		FEEDHM
O=C(CSc1cccc(Br)c1)N[C@H]1CCCN([O-])C1=O	ZINC000816755307	675077707	/nfs/dbraw/zinc/07/77/07/675077707.db2.gz	XRSDWVOMKTXGOS-NSHDSACASA-N	-1	3	359.245	2.038	20	30		FEEDHM
COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C#N)C2CCCCC2)c(F)c1	ZINC000582820450	672036352	/nfs/dbraw/zinc/03/63/52/672036352.db2.gz	RIIHCAROXCOKFP-AWEZNQCLSA-N	-1	3	354.403	2.363	20	30		FEEDHM
CCOC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)CCC(C)(C)C#N	ZINC000582873049	672041606	/nfs/dbraw/zinc/04/16/06/672041606.db2.gz	LXBGTPTZFROGDI-HNNXBMFYSA-N	-1	3	352.456	2.020	20	30		FEEDHM
C#CCCCCNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1	ZINC000156247355	672243910	/nfs/dbraw/zinc/24/39/10/672243910.db2.gz	LLLSGQNKEHBBFH-UHFFFAOYSA-N	-1	3	363.414	2.488	20	30		FEEDHM
CC(C)(C)[C@@H]([N-]S(C)(=O)=O)C(=O)OC[C@@H](C#N)Cc1ccc(F)cc1	ZINC000156874796	672251844	/nfs/dbraw/zinc/25/18/44/672251844.db2.gz	AAFBGRDFRWCJGK-HIFRSBDPSA-N	-1	3	370.446	2.015	20	30		FEEDHM
C#Cc1cccc(NC(=O)C[N-]S(=O)(=O)Cc2ccc(C)cc2F)c1	ZINC000192523166	672692841	/nfs/dbraw/zinc/69/28/41/672692841.db2.gz	REIJZVKISGPDEU-UHFFFAOYSA-N	-1	3	360.410	2.174	20	30		FEEDHM
CCCNC(=O)c1cccc(C[N-]S(=O)(=O)c2ccsc2C#N)c1	ZINC000593531201	672935252	/nfs/dbraw/zinc/93/52/52/672935252.db2.gz	GJXGSKVFSYJVBA-UHFFFAOYSA-N	-1	3	363.464	2.238	20	30		FEEDHM
COc1cc2c(cc1C[N-]S(=O)(=O)c1ccsc1C#N)O[C@H](C)C2	ZINC000593565130	672945064	/nfs/dbraw/zinc/94/50/64/672945064.db2.gz	FJRNXHUFVQHGPU-SNVBAGLBSA-N	-1	3	364.448	2.430	20	30		FEEDHM
N#Cc1ccc(NCC[N-]S(=O)(=O)c2ccc(Cl)nc2Cl)nc1	ZINC000725822107	673092661	/nfs/dbraw/zinc/09/26/61/673092661.db2.gz	SVYZIAWCJMNKIX-UHFFFAOYSA-N	-1	3	372.237	2.045	20	30		FEEDHM
N#CCCNC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl	ZINC000726263313	673114323	/nfs/dbraw/zinc/11/43/23/673114323.db2.gz	FSNOYQFMGMFTDL-UHFFFAOYSA-N	-1	3	362.238	2.078	20	30		FEEDHM
N#CCC1(CS(=O)(=O)[N-]C[C@@H](OC2CCCC2)C(F)(F)F)CC1	ZINC000594819731	673152425	/nfs/dbraw/zinc/15/24/25/673152425.db2.gz	VGOWFYKRHXSNDL-GFCCVEGCSA-N	-1	3	354.394	2.490	20	30		FEEDHM
CCN(C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)[C@@H](C)C#N	ZINC000598352981	673562068	/nfs/dbraw/zinc/56/20/68/673562068.db2.gz	NIXYTPVLGLESMZ-NSHDSACASA-N	-1	3	364.402	2.329	20	30		FEEDHM
Cc1cc(C2([N-]S(=O)(=O)c3ccc(C#N)cc3C)CCOCC2)on1	ZINC000599515321	673687323	/nfs/dbraw/zinc/68/73/23/673687323.db2.gz	RMDIZFFZODNJRW-UHFFFAOYSA-N	-1	3	361.423	2.147	20	30		FEEDHM
CCC[C@H](C)N(C)C(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000742540053	673729870	/nfs/dbraw/zinc/72/98/70/673729870.db2.gz	YOWDMXKCTYUFCO-STQMWFEESA-N	-1	3	351.472	2.151	20	30		FEEDHM
C[C@H](CC(=O)N(C)CC(C)(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000742620758	673732563	/nfs/dbraw/zinc/73/25/63/673732563.db2.gz	DPTCGUBLKKACTM-GFCCVEGCSA-N	-1	3	351.472	2.008	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CC[C@H](SC)C2)ccc1F	ZINC000742744034	673736526	/nfs/dbraw/zinc/73/65/26/673736526.db2.gz	IYIQIFOESRACET-OLZOCXBDSA-N	-1	3	372.487	2.304	20	30		FEEDHM
COc1ccc(C[N-]S(=O)(=O)c2cc(F)c(F)cc2F)cc1C#N	ZINC000746681274	673889992	/nfs/dbraw/zinc/88/99/92/673889992.db2.gz	YHIHIAZNXKZTJL-UHFFFAOYSA-N	-1	3	356.325	2.463	20	30		FEEDHM
N#Cc1ccc(N2CCC[C@@H]([N-]S(=O)(=O)c3cscn3)C2)c(F)c1	ZINC000567769353	675320478	/nfs/dbraw/zinc/32/04/78/675320478.db2.gz	AJGZXZURSKHVRN-GFCCVEGCSA-N	-1	3	366.443	2.101	20	30		FEEDHM
O=C(CCc1nc2cc(C(F)(F)F)ccc2s1)N[C@H]1CCN([O-])C1=O	ZINC000820156752	675340117	/nfs/dbraw/zinc/34/01/17/675340117.db2.gz	MTWSBMBVKVUYOQ-VIFPVBQESA-N	-1	3	373.356	2.354	20	30		FEEDHM
O=C(CCc1cc(Cl)ccc1Br)N[C@@H]1CCN([O-])C1=O	ZINC000820184742	675342131	/nfs/dbraw/zinc/34/21/31/675342131.db2.gz	DAAWHJXIVPRSCZ-LLVKDONJSA-N	-1	3	361.623	2.141	20	30		FEEDHM
CC(C)(C#N)C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1	ZINC000824058678	675581953	/nfs/dbraw/zinc/58/19/53/675581953.db2.gz	AHHNBVDYPIBKHS-UHFFFAOYSA-N	-1	3	356.777	2.194	20	30		FEEDHM
CC(C)(C#N)C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1	ZINC000824058678	675581956	/nfs/dbraw/zinc/58/19/56/675581956.db2.gz	AHHNBVDYPIBKHS-UHFFFAOYSA-N	-1	3	356.777	2.194	20	30		FEEDHM
C=CCN(CC=C)C(=O)c1ccc([N-]S(=O)(=O)C2(COC)CC2)cc1	ZINC000641681696	677213594	/nfs/dbraw/zinc/21/35/94/677213594.db2.gz	JDGQXQAFAVUFGA-UHFFFAOYSA-N	-1	3	364.467	2.422	20	30		FEEDHM
CN1CCC(=NNc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C1=O	ZINC000761804172	680731907	/nfs/dbraw/zinc/73/19/07/680731907.db2.gz	PHJHJFHKSVOLQF-UHFFFAOYSA-N	-1	3	358.423	2.117	20	30		FEEDHM
Brc1cc2c(c(C=N[N-]c3[nH+]cnc4[n-]cnc43)c1)OCC2	ZINC000764904498	680823926	/nfs/dbraw/zinc/82/39/26/680823926.db2.gz	LMKRIXZYUOCZRQ-UHFFFAOYSA-N	-1	3	359.187	2.496	20	30		FEEDHM
CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N1CC[C@H](C)C1	ZINC000750859592	680136291	/nfs/dbraw/zinc/13/62/91/680136291.db2.gz	QSKPQGDUVYAVHI-ZFWWWQNUSA-N	-1	3	363.483	2.152	20	30		FEEDHM
C[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)OCCCC#N)c1Cl	ZINC000751687601	680194164	/nfs/dbraw/zinc/19/41/64/680194164.db2.gz	VSOYUKHMKKONHJ-UHFFFAOYSA-N	-1	3	351.211	2.362	20	30		FEEDHM
C[N-]S(=O)(=O)c1cc(C(=O)OCc2ccc(F)cc2C#N)ccc1F	ZINC000752582202	680249843	/nfs/dbraw/zinc/24/98/43/680249843.db2.gz	ZZWFZAZGPIVISX-UHFFFAOYSA-N	-1	3	366.345	2.102	20	30		FEEDHM
Cn1cc(C=NNc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)nn1	ZINC000755683916	680428459	/nfs/dbraw/zinc/42/84/59/680428459.db2.gz	VTIPPUGRTSGTAC-UHFFFAOYSA-N	-1	3	356.411	2.062	20	30		FEEDHM
C=C[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)OC)c(F)cc1Br	ZINC000757361528	680523089	/nfs/dbraw/zinc/52/30/89/680523089.db2.gz	NVOLVMXSIANKJB-SSDOTTSWSA-N	-1	3	366.208	2.228	20	30		FEEDHM
C[Si](C)(C)C#CCCNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-]	ZINC000912329577	685353807	/nfs/dbraw/zinc/35/38/07/685353807.db2.gz	NLKJOLOPMUSBPV-INIZCTEOSA-N	-1	3	358.514	2.384	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2cnn(C(F)F)c2)ccc1F	ZINC000767889141	680931342	/nfs/dbraw/zinc/93/13/42/680931342.db2.gz	DAVRFFBRBZOZLV-UHFFFAOYSA-N	-1	3	374.344	2.134	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)c1ccsc1C#N)c1ccc2c(c1)CC(=O)N2C	ZINC000845853109	681156982	/nfs/dbraw/zinc/15/69/82/681156982.db2.gz	YENQZKHQUMSURP-SNVBAGLBSA-N	-1	3	361.448	2.178	20	30		FEEDHM
O=C(CCCc1cccc(Br)c1)N[C@@H]1CCCN([O-])C1=O	ZINC000848136511	681478555	/nfs/dbraw/zinc/47/85/55/681478555.db2.gz	NZBBOIROFDELHE-CYBMUJFWSA-N	-1	3	355.232	2.268	20	30		FEEDHM
Cc1nc(-c2cccs2)c(CC(=O)N[C@H]2CCCN([O-])C2=O)s1	ZINC000848137430	681478595	/nfs/dbraw/zinc/47/85/95/681478595.db2.gz	FHERBABVPDHYOW-JTQLQIEISA-N	-1	3	351.453	2.219	20	30		FEEDHM
COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-][C@H]2CC[C@@H](CC#N)C2)c1	ZINC000848458209	681550790	/nfs/dbraw/zinc/55/07/90/681550790.db2.gz	PLUORPOHUJXNHK-AAEUAGOBSA-N	-1	3	354.403	2.281	20	30		FEEDHM
O=C(N[C@H]1CCCN([O-])C1=O)NC1(C(F)(F)F)CCC(F)(F)CC1	ZINC000934545148	681587498	/nfs/dbraw/zinc/58/74/98/681587498.db2.gz	NSTDUQOGLXJMOC-QMMMGPOBSA-N	-1	3	359.295	2.176	20	30		FEEDHM
CCC[C@H](C#N)[N-]C(=O)C(F)(F)c1ccccc1OCC(=O)N(C)C	ZINC000778681232	681639331	/nfs/dbraw/zinc/63/93/31/681639331.db2.gz	PQDLHUDVKKDEOB-GFCCVEGCSA-N	-1	3	353.369	2.054	20	30		FEEDHM
N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C[C@]12OCCC[C@H]1C2(F)F	ZINC000849458874	681745195	/nfs/dbraw/zinc/74/51/95/681745195.db2.gz	TXWVEQZWUMLWNI-OLZOCXBDSA-N	-1	3	362.785	2.304	20	30		FEEDHM
C[C@H](CC(=O)OC[C@@]1(C)CC1(F)F)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000851262597	682041973	/nfs/dbraw/zinc/04/19/73/682041973.db2.gz	YTSYVFOHTUQEOP-MEBBXXQBSA-N	-1	3	372.393	2.092	20	30		FEEDHM
COCCn1cc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)c(C)n1	ZINC000782580886	682060227	/nfs/dbraw/zinc/06/02/27/682060227.db2.gz	CDXCSXYRBUKMAG-LBPRGKRZSA-N	-1	3	360.801	2.453	20	30		FEEDHM
Cc1n[nH]c(C)c1C=Nn1c(=S)[n-]nc1[C@@H]1COc2ccccc2O1	ZINC000915946184	685519832	/nfs/dbraw/zinc/51/98/32/685519832.db2.gz	BWESAFXZTNEOGK-AWEZNQCLSA-N	-1	3	356.411	2.301	20	30		FEEDHM
CCS(=O)(=O)[N-]c1ccc(N=Cc2ccc(O)c(O)c2O)cc1OC	ZINC000917557836	685532954	/nfs/dbraw/zinc/53/29/54/685532954.db2.gz	CNINXUCHSUTRMY-UHFFFAOYSA-N	-1	3	366.395	2.324	20	30		FEEDHM
C=C(C)[C@@H](CO)N1CC[C@H](c2ccccc2)[C@H]([N-]C(=O)C(F)(F)F)C1	ZINC000852673572	682318031	/nfs/dbraw/zinc/31/80/31/682318031.db2.gz	KRTICNZUVRQFMT-BZUAXINKSA-N	-1	3	356.388	2.460	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCCC[C@H]2C=C)ccc1F	ZINC000785866574	682332828	/nfs/dbraw/zinc/33/28/28/682332828.db2.gz	HUTFXBUQOJUJHD-CQSZACIVSA-N	-1	3	352.431	2.471	20	30		FEEDHM
O=C(N[C@@H]1CCCN([O-])C1=O)c1csc(Nc2cc(F)cc(F)c2)n1	ZINC000854649106	682575183	/nfs/dbraw/zinc/57/51/83/682575183.db2.gz	QDNLVFGJWDJOFC-LLVKDONJSA-N	-1	3	368.365	2.275	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(C3CC3)[nH]n2)ccc1F	ZINC000854954389	682614178	/nfs/dbraw/zinc/61/41/78/682614178.db2.gz	YPXNZNSZLVZVGN-UHFFFAOYSA-N	-1	3	364.402	2.143	20	30		FEEDHM
COc1ccccc1-c1noc([C@H](C)[N-]S(=O)(=O)CC(C)(C)C#N)n1	ZINC000790029310	682649000	/nfs/dbraw/zinc/64/90/00/682649000.db2.gz	JYOLIEWYIZHLOY-NSHDSACASA-N	-1	3	364.427	2.275	20	30		FEEDHM
CC[C@](C)(NC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21)C1CC1	ZINC000855881270	682720983	/nfs/dbraw/zinc/72/09/83/682720983.db2.gz	XJTJFOTVHKAMLK-XIKOKIGWSA-N	-1	3	363.483	2.199	20	30		FEEDHM
CCC(CC)CCCN(C)C(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000856169130	682750056	/nfs/dbraw/zinc/75/00/56/682750056.db2.gz	IHEGZXHXSGNFFF-UHFFFAOYSA-N	-1	3	365.499	2.400	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)NC[C@H]2CC[C@H](C)C2)ccc1F	ZINC000794254194	682949963	/nfs/dbraw/zinc/94/99/63/682949963.db2.gz	XLLYCJDCAQZQJA-STQMWFEESA-N	-1	3	354.447	2.456	20	30		FEEDHM
CC(C)C[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NCC(C)(C)C	ZINC000919872596	683304563	/nfs/dbraw/zinc/30/45/63/683304563.db2.gz	NVLCTZRXDXHROV-CQSZACIVSA-N	-1	3	365.499	2.302	20	30		FEEDHM
CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N[C@@H]1C[C@H]1CC	ZINC000798094041	683307636	/nfs/dbraw/zinc/30/76/36/683307636.db2.gz	CETNOUYSZYROOJ-VHDGCEQUSA-N	-1	3	363.483	2.199	20	30		FEEDHM
C#C[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C(C)C	ZINC000798472529	683355129	/nfs/dbraw/zinc/35/51/29/683355129.db2.gz	MZCKZLXBSCSWIZ-NSHDSACASA-N	-1	3	361.217	2.293	20	30		FEEDHM
C#CCN1CCC([N-]S(=O)(=O)c2cnc(-c3ccccc3)s2)CC1	ZINC000921436061	683467726	/nfs/dbraw/zinc/46/77/26/683467726.db2.gz	NIYADXYVGYCVPG-UHFFFAOYSA-N	-1	3	361.492	2.186	20	30		FEEDHM
[O-]c1cccc(Br)c1C=NNC(=S)NC[C@H]1CCCO1	ZINC000863068676	683675265	/nfs/dbraw/zinc/67/52/65/683675265.db2.gz	IOVSLOJVEJPTJL-SECBINFHSA-N	-1	3	358.261	2.132	20	30		FEEDHM
C#C[C@@H]([N-]S(=O)(=O)c1cscc1Br)C1CCOCC1	ZINC000867529295	684305275	/nfs/dbraw/zinc/30/52/75/684305275.db2.gz	GMXNJLDSMCEQRO-LLVKDONJSA-N	-1	3	364.286	2.217	20	30		FEEDHM
C=CCCn1cc(C[N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)nn1	ZINC000867597135	684325531	/nfs/dbraw/zinc/32/55/31/684325531.db2.gz	SWAUWNCCCQCYDR-UHFFFAOYSA-N	-1	3	362.242	2.035	20	30		FEEDHM
C=CCCC(C)(C)C[N-]S(=O)(=O)c1cnn(C)c1Br	ZINC000867601046	684326671	/nfs/dbraw/zinc/32/66/71/684326671.db2.gz	HQMCQFKTKZJOBQ-UHFFFAOYSA-N	-1	3	350.282	2.453	20	30		FEEDHM
C=CCOCC(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21	ZINC000871315195	684805077	/nfs/dbraw/zinc/80/50/77/684805077.db2.gz	YEMBABBEGIMTLY-GFCCVEGCSA-N	-1	3	356.344	2.388	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2cnn(CC)c2C)ccc1F	ZINC000874819557	685674090	/nfs/dbraw/zinc/67/40/90/685674090.db2.gz	VUECHUMUMJSUNS-UHFFFAOYSA-N	-1	3	366.418	2.067	20	30		FEEDHM
O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)Nc1cc(Cl)ccc1F	ZINC000875227740	685760380	/nfs/dbraw/zinc/76/03/80/685760380.db2.gz	LIAVPDINJUFLNW-UHFFFAOYSA-N	-1	3	367.789	2.156	20	30		FEEDHM
O=C(Nc1cc(F)cc(F)c1Br)N[C@@H]1CCCN([O-])C1=O	ZINC000879328376	686796270	/nfs/dbraw/zinc/79/62/70/686796270.db2.gz	IYJQZPVGUDYWOR-MRVPVSSYSA-N	-1	3	364.146	2.229	20	30		FEEDHM
O=C(Nc1cccc(Cl)c1OCC(F)F)N[C@H]1CCCN([O-])C1=O	ZINC000879586243	686864337	/nfs/dbraw/zinc/86/43/37/686864337.db2.gz	ABJNZXHAOUKELW-JTQLQIEISA-N	-1	3	363.748	2.486	20	30		FEEDHM
C#CC[C@H]1CCN(C(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)C1	ZINC000887258948	688395480	/nfs/dbraw/zinc/39/54/80/688395480.db2.gz	PZJAMDSUOYLNRK-ZDUSSCGKSA-N	-1	3	365.455	2.334	20	30		FEEDHM
O=C1[C@@H](NCc2cc(Br)c3c(c2)OCCCO3)CCCN1[O-]	ZINC000895164689	689670476	/nfs/dbraw/zinc/67/04/76/689670476.db2.gz	HRELHSHKYFXGLW-LBPRGKRZSA-N	-1	3	371.231	2.080	20	30		FEEDHM
O=C1[C@H](NCc2cnn(-c3ccc(Br)cc3)c2)CCCN1[O-]	ZINC000895166323	689670518	/nfs/dbraw/zinc/67/05/18/689670518.db2.gz	POCQDGUAVWBIAK-CQSZACIVSA-N	-1	3	365.231	2.105	20	30		FEEDHM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ncc(S(=O)(=O)[N-]C(C)(C)C)s1	ZINC000906077203	691228925	/nfs/dbraw/zinc/22/89/25/691228925.db2.gz	BZWIHBHVFMGLEC-JQWIXIFHSA-N	-1	3	373.500	2.140	20	30		FEEDHM
CN1CCC(C#N)([N-]C(=O)C(F)(F)c2ncccc2Br)CC1	ZINC000906600638	691290054	/nfs/dbraw/zinc/29/00/54/691290054.db2.gz	LVMQGUDTDBSOHK-UHFFFAOYSA-N	-1	3	373.201	2.040	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)c1ccc(C#N)cn1)c1nc(C(F)(F)F)cs1	ZINC000907162798	691411507	/nfs/dbraw/zinc/41/15/07/691411507.db2.gz	JSZAIGCOCAPTKC-ZETCQYMHSA-N	-1	3	362.358	2.468	20	30		FEEDHM
C[C@H]1CC[C@H](c2nc(CC(=O)N[C@H]3CCCN([O-])C3=O)cs2)CC1	ZINC000908403536	691674069	/nfs/dbraw/zinc/67/40/69/691674069.db2.gz	RQYCJROWGPREKG-OBJOEFQTSA-N	-1	3	351.472	2.476	20	30		FEEDHM
C#CCN1CCC(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)CC1	ZINC000057153444	210206723	/nfs/dbraw/zinc/20/67/23/210206723.db2.gz	WGXGSDQVGFVHKR-UHFFFAOYSA-N	-1	3	354.450	2.159	20	30		FEEDHM
C=CCN(CC=C)C(=O)CN1CCC(C(=O)Nc2ccccc2[O-])CC1	ZINC000015042864	539610753	/nfs/dbraw/zinc/61/07/53/539610753.db2.gz	GLYOKZSNCIYGPM-UHFFFAOYSA-N	-1	3	357.454	2.243	20	30		FEEDHM
COC(=O)c1ccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)s1	ZINC000015194748	539613318	/nfs/dbraw/zinc/61/33/18/539613318.db2.gz	NVFHSCWCCSGPKD-UHFFFAOYSA-N	-1	3	359.407	2.283	20	30		FEEDHM
COc1ccccc1-c1nc(NC(=O)Cc2c(C)nc(C)[n-]c2=O)n[nH]1	ZINC000042370173	540061189	/nfs/dbraw/zinc/06/11/89/540061189.db2.gz	SNJUTKTVADVQDA-UHFFFAOYSA-N	-1	3	354.370	2.011	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccnc1N1CCCC1	ZINC000047225901	540297644	/nfs/dbraw/zinc/29/76/44/540297644.db2.gz	XCAUTFFSLFEBBG-UHFFFAOYSA-N	-1	3	365.437	2.430	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCO[C@@H](c2ccccc2)C1	ZINC000078777480	542480886	/nfs/dbraw/zinc/48/08/86/542480886.db2.gz	XMAIMFXPSGZYIP-LJQANCHMSA-N	-1	3	365.433	2.396	20	30		FEEDHM
CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(I)cc1	ZINC000088474169	542752187	/nfs/dbraw/zinc/75/21/87/542752187.db2.gz	KSUAPYTZDZJEJY-JTQLQIEISA-N	-1	3	350.181	2.335	20	30		FEEDHM
CCCCCCCCC(=O)NCC(=O)Nc1cccc2c(=O)[nH][n-]c(=O)c12	ZINC000105470528	543174566	/nfs/dbraw/zinc/17/45/66/543174566.db2.gz	BPAPWBVBKKPNSV-UHFFFAOYSA-N	-1	3	374.441	2.022	20	30		FEEDHM
CCCCCCCCC(=O)NCC(=O)Nc1cccc2c(=O)[n-][nH]c(=O)c12	ZINC000105470528	543174568	/nfs/dbraw/zinc/17/45/68/543174568.db2.gz	BPAPWBVBKKPNSV-UHFFFAOYSA-N	-1	3	374.441	2.022	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCc1ccc(F)cc1F	ZINC000112186205	543433554	/nfs/dbraw/zinc/43/35/54/543433554.db2.gz	CBSFTCQLBRPFCA-UHFFFAOYSA-N	-1	3	359.376	2.433	20	30		FEEDHM
C[C@@H](CC(=O)OCC1CC(C)(C)C1)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000802294708	674176152	/nfs/dbraw/zinc/17/61/52/674176152.db2.gz	ZMOUPEIRMWUPAO-LBPRGKRZSA-N	-1	3	364.467	2.483	20	30		FEEDHM
N#Cc1cccc(CS(=O)(=O)[N-][C@@H]2CCCN(c3ccccc3)C2=O)c1	ZINC000114500669	543522177	/nfs/dbraw/zinc/52/21/77/543522177.db2.gz	HOSVSTGGODJSID-GOSISDBHSA-N	-1	3	369.446	2.173	20	30		FEEDHM
COc1ccc2c(c1)CCN2C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C	ZINC000116149064	543600149	/nfs/dbraw/zinc/60/01/49/543600149.db2.gz	FDGYXRAMWVLMPQ-UHFFFAOYSA-N	-1	3	351.406	2.394	20	30		FEEDHM
C[C@@H](CC[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)[S@](C)=O	ZINC000124144551	543803504	/nfs/dbraw/zinc/80/35/04/543803504.db2.gz	LTJKIWQYIQUHMD-GTUYJWLHSA-N	-1	3	368.402	2.012	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@H](C)[C@H](n2ccnc2)C1	ZINC000126138763	543920580	/nfs/dbraw/zinc/92/05/80/543920580.db2.gz	JEUBICOLXXBKCH-FZKQIMNGSA-N	-1	3	367.453	2.102	20	30		FEEDHM
Cc1nc(CC[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)sc1C	ZINC000126663743	543949536	/nfs/dbraw/zinc/94/95/36/543949536.db2.gz	NLJZOEDEWGIZMI-UHFFFAOYSA-N	-1	3	366.424	2.061	20	30		FEEDHM
N#Cc1ccc(C(=O)Nc2ccc(C[C@@H]3NC(=O)[N-]C3=O)cc2)cc1Cl	ZINC000133895497	544286826	/nfs/dbraw/zinc/28/68/26/544286826.db2.gz	NUOJBNHSBHDKEZ-HNNXBMFYSA-N	-1	3	368.780	2.214	20	30		FEEDHM
N#CCCCS(=O)(=O)[N-][C@H](c1nc[nH]n1)c1cccc(C(F)(F)F)c1	ZINC000136088654	544366318	/nfs/dbraw/zinc/36/63/18/544366318.db2.gz	DVVRRYIUHZSUBI-LBPRGKRZSA-N	-1	3	373.360	2.136	20	30		FEEDHM
C[C@H](C#N)CN(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1	ZINC000148102444	544448807	/nfs/dbraw/zinc/44/88/07/544448807.db2.gz	VBAUBSCJUMPJKZ-LLVKDONJSA-N	-1	3	364.402	2.186	20	30		FEEDHM
C=C(C)CNC(=O)c1cc(C(C)C)nc2c1c(=O)[n-]c(=O)n2CC(C)C	ZINC000154377125	544898301	/nfs/dbraw/zinc/89/83/01/544898301.db2.gz	GPKKBKMDGKSJDU-UHFFFAOYSA-N	-1	3	358.442	2.170	20	30		FEEDHM
CC(C)C[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OCCCCF	ZINC000803221154	674229058	/nfs/dbraw/zinc/22/90/58/674229058.db2.gz	OLSPJSWPOHFDPX-CQSZACIVSA-N	-1	3	370.446	2.433	20	30		FEEDHM
CCOC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)[C@@H](C)CC	ZINC000180049361	327669229	/nfs/dbraw/zinc/66/92/29/327669229.db2.gz	SKUUNGPGGREQLK-HZMBPMFUSA-N	-1	3	358.847	2.468	20	30		FEEDHM
CCN(C(=O)c1ccc(S(=O)(=O)[N-]C)nc1)[C@H](C)c1ccc(C#N)cc1	ZINC000184868283	327886459	/nfs/dbraw/zinc/88/64/59/327886459.db2.gz	OCZDRNHIPPLMHF-CYBMUJFWSA-N	-1	3	372.450	2.085	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@]1(CO)CC(C)C	ZINC000191511987	328269069	/nfs/dbraw/zinc/26/90/69/328269069.db2.gz	QMVNZDSREVNEHG-FQEVSTJZSA-N	-1	3	359.470	2.196	20	30		FEEDHM
N#Cc1ccc(C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)cc1[O-]	ZINC000192231103	328308059	/nfs/dbraw/zinc/30/80/59/328308059.db2.gz	FYFLVOARQVHKHE-IBGZPJMESA-N	-1	3	365.433	2.285	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)CCOc1ccc(F)cc1	ZINC000016173784	324384921	/nfs/dbraw/zinc/38/49/21/324384921.db2.gz	UFZOYPBXYAGFFR-UHFFFAOYSA-N	-1	3	371.412	2.473	20	30		FEEDHM
COc1ccc([O-])c(C(=O)N2CCCN(c3ncccc3C#N)CC2)c1	ZINC000097680423	325462837	/nfs/dbraw/zinc/46/28/37/325462837.db2.gz	NLJXYLXCQHDJDX-UHFFFAOYSA-N	-1	3	352.394	2.020	20	30		FEEDHM
CC[C@@H](C)[C@H](O)C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000119433244	326161421	/nfs/dbraw/zinc/16/14/21/326161421.db2.gz	SFEOTGSACGPCKB-BXKDBHETSA-N	-1	3	350.362	2.262	20	30		FEEDHM
CC[C@@H](C)[C@@H](O)C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000119433507	326161629	/nfs/dbraw/zinc/16/16/29/326161629.db2.gz	SFEOTGSACGPCKB-SKDRFNHKSA-N	-1	3	350.362	2.262	20	30		FEEDHM
N#Cc1ccc(OCC[N-]S(=O)(=O)c2cccc(Cl)c2C#N)cc1	ZINC000122320222	326392150	/nfs/dbraw/zinc/39/21/50/326392150.db2.gz	FFHHXZYGBDDABD-UHFFFAOYSA-N	-1	3	361.810	2.441	20	30		FEEDHM
COCc1ccc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)cc1	ZINC000156430329	326831079	/nfs/dbraw/zinc/83/10/79/326831079.db2.gz	LXGGDFKECAWAKA-UHFFFAOYSA-N	-1	3	361.379	2.091	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1ccc(C#N)cc1	ZINC000156442727	326831705	/nfs/dbraw/zinc/83/17/05/326831705.db2.gz	LFEPWEASMBNNNE-NSHDSACASA-N	-1	3	356.363	2.378	20	30		FEEDHM
C[C@H](NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(C#N)cc1	ZINC000174105248	327306637	/nfs/dbraw/zinc/30/66/37/327306637.db2.gz	KTGAHBJZICDQBE-ZDUSSCGKSA-N	-1	3	374.422	2.096	20	30		FEEDHM
Cc1oc(-c2cnn(C)c2)nc1C(=O)[N-]c1nn(C(C)(C)C)cc1C#N	ZINC000177130893	327499828	/nfs/dbraw/zinc/49/98/28/327499828.db2.gz	QXGZOXNGLXFLDW-UHFFFAOYSA-N	-1	3	353.386	2.459	20	30		FEEDHM
CN(C)C1(C[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CCC1	ZINC000275538874	330061162	/nfs/dbraw/zinc/06/11/62/330061162.db2.gz	YXIJPOOABPDJDF-UHFFFAOYSA-N	-1	3	361.389	2.340	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)NCCSC(C)C)ccc1F	ZINC000805225129	674326301	/nfs/dbraw/zinc/32/63/01/674326301.db2.gz	BTWFGKWKMVTQQX-UHFFFAOYSA-N	-1	3	360.476	2.161	20	30		FEEDHM
N#CC1(CS(=O)(=O)[N-]C(=O)c2cccc(CN3CCCC3)c2)CCC1	ZINC000805919182	674360398	/nfs/dbraw/zinc/36/03/98/674360398.db2.gz	HMXSFYDEIMDGJD-UHFFFAOYSA-N	-1	3	361.467	2.036	20	30		FEEDHM
COc1ccc([N+](=O)[O-])cc1C[N-]S(=O)(=O)c1cccc(C)c1C#N	ZINC000156657444	545642880	/nfs/dbraw/zinc/64/28/80/545642880.db2.gz	PSBFRJFBZPEGLQ-UHFFFAOYSA-N	-1	3	361.379	2.262	20	30		FEEDHM
C=C(CNC(=O)Nc1ccc(C[C@H]2NC(=O)[N-]C2=O)cc1)c1ccccc1	ZINC000478411807	561166278	/nfs/dbraw/zinc/16/62/78/561166278.db2.gz	GDJXHLPAQQQZPO-QGZVFWFLSA-N	-1	3	364.405	2.272	20	30		FEEDHM
Cn1c(C[N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)nnc1C1CCC1	ZINC000162180693	546137556	/nfs/dbraw/zinc/13/75/56/546137556.db2.gz	HEWJBTRDSSDYKZ-UHFFFAOYSA-N	-1	3	365.846	2.086	20	30		FEEDHM
C=CCN1CCC([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)CC1	ZINC000171536640	546213139	/nfs/dbraw/zinc/21/31/39/546213139.db2.gz	ZZELKQDEYQKHJQ-UHFFFAOYSA-N	-1	3	350.271	2.317	20	30		FEEDHM
C=CCN1CCC(NC(=O)c2ccccc2[N-]S(=O)(=O)CCC)CC1	ZINC000171715832	546220464	/nfs/dbraw/zinc/22/04/64/546220464.db2.gz	IDOWWSUEQLYJES-UHFFFAOYSA-N	-1	3	365.499	2.219	20	30		FEEDHM
N#C[C@H](NC(=O)C[N-]S(=O)(=O)c1cccs1)c1ccccc1Cl	ZINC000172030007	546234136	/nfs/dbraw/zinc/23/41/36/546234136.db2.gz	NWGKPCLWRKUQKS-LBPRGKRZSA-N	-1	3	369.855	2.061	20	30		FEEDHM
N#CCCCS(=O)(=O)[N-][C@@H]1CCCN(c2ccccc2Cl)C1=O	ZINC000173331189	546278093	/nfs/dbraw/zinc/27/80/93/546278093.db2.gz	PYJLJEAYLDWFKU-CYBMUJFWSA-N	-1	3	355.847	2.059	20	30		FEEDHM
N#Cc1csc(C(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)c1	ZINC000177092214	546543061	/nfs/dbraw/zinc/54/30/61/546543061.db2.gz	ADTPZZFUNXFPRU-UHFFFAOYSA-N	-1	3	365.411	2.452	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-][C@@H](CO)c1c(Cl)cccc1Cl	ZINC000481482094	561233554	/nfs/dbraw/zinc/23/35/54/561233554.db2.gz	WHGQZQZNUUUABK-LBPRGKRZSA-N	-1	3	372.233	2.272	20	30		FEEDHM
C=CCN1CCC([N-]S(=O)(=O)c2ccc(Cl)cc2C(=O)OC)CC1	ZINC000178986253	546883780	/nfs/dbraw/zinc/88/37/80/546883780.db2.gz	IDAPALVFNGCJLV-UHFFFAOYSA-N	-1	3	372.874	2.055	20	30		FEEDHM
COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@H](C#N)C1CCCCC1	ZINC000179236907	546918302	/nfs/dbraw/zinc/91/83/02/546918302.db2.gz	PGEBCGPPKUKPRG-CQSZACIVSA-N	-1	3	354.403	2.363	20	30		FEEDHM
N#C[C@@H](NC(=O)CC[N-]S(=O)(=O)c1ccccc1F)C1CCCCC1	ZINC000482477073	561254691	/nfs/dbraw/zinc/25/46/91/561254691.db2.gz	JLNYBQLABAVSAG-OAHLLOKOSA-N	-1	3	367.446	2.083	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c(Cl)c1	ZINC000180206735	547067926	/nfs/dbraw/zinc/06/79/26/547067926.db2.gz	OSHOIKGCAFTZRS-DFBGVHRSSA-N	-1	3	352.843	2.448	20	30		FEEDHM
Cc1nn(C)c(C)c1CCC[N-]S(=O)(=O)c1cccc(Cl)c1C#N	ZINC000181502002	547324709	/nfs/dbraw/zinc/32/47/09/547324709.db2.gz	OHJZQHSRCWEZAJ-UHFFFAOYSA-N	-1	3	366.874	2.473	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1ccc(C(C)(C)O)cc1	ZINC000184683518	547865231	/nfs/dbraw/zinc/86/52/31/547865231.db2.gz	KHNGSDMLJZZVPB-UHFFFAOYSA-N	-1	3	367.449	2.340	20	30		FEEDHM
N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CCc2cn3ccccc3n2)c1	ZINC000186226810	548104064	/nfs/dbraw/zinc/10/40/64/548104064.db2.gz	PYGHUMPXVVGOKP-UHFFFAOYSA-N	-1	3	360.826	2.380	20	30		FEEDHM
CC[C@@H](C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1	ZINC000188104221	548271323	/nfs/dbraw/zinc/27/13/23/548271323.db2.gz	FIFZVRQWRULKSL-YPMHNXCESA-N	-1	3	358.847	2.336	20	30		FEEDHM
C[C@H](C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1	ZINC000188099466	548272047	/nfs/dbraw/zinc/27/20/47/548272047.db2.gz	SPLDMOMZCBQLCI-YPMHNXCESA-N	-1	3	358.847	2.478	20	30		FEEDHM
COc1cccc(C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)c1[O-]	ZINC000192935792	548376416	/nfs/dbraw/zinc/37/64/16/548376416.db2.gz	DFMWSFONZDAMCS-KRWDZBQOSA-N	-1	3	351.406	2.423	20	30		FEEDHM
N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2[C@H]3CCO[C@H]3C23CCC3)c1	ZINC000248470310	549446556	/nfs/dbraw/zinc/44/65/56/549446556.db2.gz	HWXHQOJZYWXMAO-KCPJHIHWSA-N	-1	3	352.843	2.448	20	30		FEEDHM
CC(C)CCN(CCC#N)C(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1	ZINC000264127717	549982873	/nfs/dbraw/zinc/98/28/73/549982873.db2.gz	YDNKNXIYRHRVPK-ZDUSSCGKSA-N	-1	3	357.501	2.203	20	30		FEEDHM
CCc1cc(N2CCC[C@H](/N=C/c3c([O-])c(C)ncc3CO)C2)ncn1	ZINC000264823710	550002295	/nfs/dbraw/zinc/00/22/95/550002295.db2.gz	CYDOHPYESKUEAU-BCUFPXHISA-N	-1	3	355.442	2.028	20	30		FEEDHM
COc1ccc(CN2CC[C@@H](/N=C/c3ccc(O)c([O-])c3O)C2=O)cc1	ZINC000265167884	550007563	/nfs/dbraw/zinc/00/75/63/550007563.db2.gz	MXGPSPZXZOSRJU-IXJMWADBSA-N	-1	3	356.378	2.032	20	30		FEEDHM
C=C(C)C[N-]S(=O)(=O)c1cc(Br)ccc1OCCOC	ZINC000491846095	561447920	/nfs/dbraw/zinc/44/79/20/561447920.db2.gz	HUSOGEVYKNBNAQ-UHFFFAOYSA-N	-1	3	364.261	2.329	20	30		FEEDHM
C=C(C)[C@@H](Cc1nc(-c2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)no1)OCC	ZINC000273737096	550509826	/nfs/dbraw/zinc/50/98/26/550509826.db2.gz	BJPYZHYGTREIHF-AUUYWEPGSA-N	-1	3	370.409	2.315	20	30		FEEDHM
C=CCn1c(=O)c2ccc(C(=O)NCC3(N(C)C)CCC3)cc2[n-]c1=S	ZINC000275709572	550573725	/nfs/dbraw/zinc/57/37/25/550573725.db2.gz	CHKSNZJHZKDTON-UHFFFAOYSA-N	-1	3	372.494	2.085	20	30		FEEDHM
Cc1ncc(CO)c(/C=N/c2ccc(Cc3nnc4n3CCC4)cc2)c1[O-]	ZINC000276520048	550578848	/nfs/dbraw/zinc/57/88/48/550578848.db2.gz	APMQMURYNIYSCW-SSDVNMTOSA-N	-1	3	363.421	2.467	20	30		FEEDHM
CC[C@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2ccc(F)c(C#N)c2)n[nH]1	ZINC000276813480	550598888	/nfs/dbraw/zinc/59/88/88/550598888.db2.gz	HPENIGOVPNSEJL-VHSXEESVSA-N	-1	3	351.407	2.368	20	30		FEEDHM
COc1ccc([C@@H](OC)[C@H](C)[N-]S(=O)(=O)c2cccnc2C#N)cc1	ZINC000276937658	550613213	/nfs/dbraw/zinc/61/32/13/550613213.db2.gz	AKTLRDWPZSZMIW-SJCJKPOMSA-N	-1	3	361.423	2.016	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-][C@@H](CN1CCCC1)c1ccccc1	ZINC000276958735	550615671	/nfs/dbraw/zinc/61/56/71/550615671.db2.gz	CXTYBLKDWUBTIY-KRWDZBQOSA-N	-1	3	356.451	2.069	20	30		FEEDHM
C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1	ZINC000278404776	550781916	/nfs/dbraw/zinc/78/19/16/550781916.db2.gz	UVWKEGJECCQOBD-CZUORRHYSA-N	-1	3	368.430	2.186	20	30		FEEDHM
C=C(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1	ZINC000280499262	551000577	/nfs/dbraw/zinc/00/05/77/551000577.db2.gz	BWDNGDBCCVRRED-IINYFYTJSA-N	-1	3	374.390	2.002	20	30		FEEDHM
CCCCCCCS(=O)(=O)[N-][C@@H](c1nc(-c2nc[nH]n2)no1)C(C)C	ZINC000281682034	551130137	/nfs/dbraw/zinc/13/01/37/551130137.db2.gz	CQCIKNKJZTZEOU-GFCCVEGCSA-N	-1	3	370.479	2.442	20	30		FEEDHM
COc1ccccc1[C@H]([N-]S(=O)(=O)N(C)[C@H](C)CC#N)c1ccco1	ZINC000282337876	551213727	/nfs/dbraw/zinc/21/37/27/551213727.db2.gz	QTXYOMSLJCOSFA-DYVFJYSZSA-N	-1	3	363.439	2.446	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)N(C)[C@@H](C)CC#N)c1nc(-c2cccc(F)c2)no1	ZINC000283046326	551302999	/nfs/dbraw/zinc/30/29/99/551302999.db2.gz	RVTZMMVUTNEPIZ-WDEREUQCSA-N	-1	3	367.406	2.005	20	30		FEEDHM
C[C@@H](CC#N)N(C)S(=O)(=O)[N-][C@H](c1nccs1)c1ccccc1	ZINC000283067969	551306580	/nfs/dbraw/zinc/30/65/80/551306580.db2.gz	UOKLPQRZXNDFEE-JSGCOSHPSA-N	-1	3	350.469	2.301	20	30		FEEDHM
CC(C)n1nccc1[C@H]1OCC[C@@H]1[N-]S(=O)(=O)Cc1cccc(C#N)c1	ZINC000285243876	551725709	/nfs/dbraw/zinc/72/57/09/551725709.db2.gz	XXOMVPRDSSLSKP-WMZOPIPTSA-N	-1	3	374.466	2.285	20	30		FEEDHM
CCOC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)o1)c1ccc(F)cc1	ZINC000286788806	551926291	/nfs/dbraw/zinc/92/62/91/551926291.db2.gz	XVJNEAVYXSANDV-CQSZACIVSA-N	-1	3	366.370	2.263	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC(F)(F)Br	ZINC000286809383	551928389	/nfs/dbraw/zinc/92/83/89/551928389.db2.gz	UCXKKESZOWONIW-UHFFFAOYSA-N	-1	3	362.174	2.312	20	30		FEEDHM
Cc1ncc(CO)c(/C=N/Cc2ccncc2OC[C@@H]2CCOC2)c1[O-]	ZINC000287008251	551951008	/nfs/dbraw/zinc/95/10/08/551951008.db2.gz	FOEXAFHUTZUOFQ-YYBSAPHASA-N	-1	3	357.410	2.017	20	30		FEEDHM
N#Cc1c(Br)cccc1S(=O)(=O)[N-]C[C@H]1CCSC1	ZINC000287614911	552025388	/nfs/dbraw/zinc/02/53/88/552025388.db2.gz	ZYEHORLPLZBESG-SECBINFHSA-N	-1	3	361.286	2.352	20	30		FEEDHM
C=CC[C@H](C(=O)N1CCC[C@@H]1C[C@@]1(C)NC(=O)[N-]C1=O)c1ccccc1	ZINC000287930391	552064453	/nfs/dbraw/zinc/06/44/53/552064453.db2.gz	QTUCKJLXRQFEGT-GQIGUUNPSA-N	-1	3	355.438	2.326	20	30		FEEDHM
C#C[C@@H]([N-]C(=O)C(F)(F)c1ccc(OCC(=O)N(C)C)cc1)C(C)(C)C	ZINC000288045843	552080348	/nfs/dbraw/zinc/08/03/48/552080348.db2.gz	CYTNDHXRCVYOSW-OAHLLOKOSA-N	-1	3	366.408	2.410	20	30		FEEDHM
COc1ccc(Br)c(S(=O)(=O)[N-][C@]2(C#N)CC2(C)C)c1	ZINC000290940388	552565643	/nfs/dbraw/zinc/56/56/43/552565643.db2.gz	LIFUUMPDYVAOJA-ZDUSSCGKSA-N	-1	3	359.245	2.428	20	30		FEEDHM
C=CCCCS(=O)(=O)[N-]c1ccc2nc(N3CCOCC3)oc2c1	ZINC000291842333	552667346	/nfs/dbraw/zinc/66/73/46/552667346.db2.gz	HOMMHQAXNXLKSO-UHFFFAOYSA-N	-1	3	351.428	2.372	20	30		FEEDHM
CC(C)(CO)[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)c1cccnc1	ZINC000293009389	552779833	/nfs/dbraw/zinc/77/98/33/552779833.db2.gz	HHWHWERRJSBHLP-INIZCTEOSA-N	-1	3	363.414	2.130	20	30		FEEDHM
C[C@@H](CC(C)(C)O)[N-]S(=O)(=O)c1cccc(Br)c1C#N	ZINC000295284331	552981493	/nfs/dbraw/zinc/98/14/93/552981493.db2.gz	GBSZPXHBVDVQNH-VIFPVBQESA-N	-1	3	361.261	2.149	20	30		FEEDHM
C[C@H](CCO)CC[N-]S(=O)(=O)c1cccc(Br)c1C#N	ZINC000296228099	553125995	/nfs/dbraw/zinc/12/59/95/553125995.db2.gz	OEQRKFAFJHANRF-JTQLQIEISA-N	-1	3	361.261	2.008	20	30		FEEDHM
CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1cncc([N-]S(C)(=O)=O)c1	ZINC000502817835	561626492	/nfs/dbraw/zinc/62/64/92/561626492.db2.gz	MYJLSCDIIYVIPZ-UHFFFAOYSA-N	-1	3	372.450	2.376	20	30		FEEDHM
CS(=O)(=O)[N-]c1cncc(C(=O)N[C@@H](C#N)c2ccccc2Cl)c1	ZINC000503350920	561639881	/nfs/dbraw/zinc/63/98/81/561639881.db2.gz	ZRIJEKYMOJQEQT-AWEZNQCLSA-N	-1	3	364.814	2.101	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N(CC)CC(F)(F)F)ccc1F	ZINC000298539169	553437744	/nfs/dbraw/zinc/43/77/44/553437744.db2.gz	ZNVSGLLRKLAADJ-UHFFFAOYSA-N	-1	3	368.352	2.314	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc2c(c1)OCC(=O)N2	ZINC000298840173	553479534	/nfs/dbraw/zinc/47/95/34/553479534.db2.gz	ALHXYYMEDOKAAA-UHFFFAOYSA-N	-1	3	366.377	2.178	20	30		FEEDHM
COc1cccc(CC[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)n1	ZINC000503835597	561648799	/nfs/dbraw/zinc/64/87/99/561648799.db2.gz	ZAQCAKQCXZOKNP-UHFFFAOYSA-N	-1	3	351.815	2.136	20	30		FEEDHM
CC(C)CCN(CCC#N)C(=O)CC[N-]S(=O)(=O)c1ccccc1F	ZINC000505206756	561667995	/nfs/dbraw/zinc/66/79/95/561667995.db2.gz	DSTUJSNXBHJKCZ-UHFFFAOYSA-N	-1	3	369.462	2.282	20	30		FEEDHM
C[N-]S(=O)(=O)c1ccc(CNc2cc(C#N)ccc2[N+](=O)[O-])s1	ZINC000302205772	553710547	/nfs/dbraw/zinc/71/05/47/553710547.db2.gz	KDCKRWNJKVNOHX-UHFFFAOYSA-N	-1	3	352.397	2.048	20	30		FEEDHM
COc1cccc(Cl)c1C[N-]S(=O)(=O)c1cnc(C)c(C#N)c1	ZINC000324117626	553771068	/nfs/dbraw/zinc/77/10/68/553771068.db2.gz	MNZDTBIXVNIXEW-UHFFFAOYSA-N	-1	3	351.815	2.402	20	30		FEEDHM
O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)[C@H]1CCNC(=O)C1	ZINC000328706313	553810110	/nfs/dbraw/zinc/81/01/10/553810110.db2.gz	AHNCXFOERDCLSD-QMMMGPOBSA-N	-1	3	365.864	2.003	20	30		FEEDHM
C[C@@H](C(=O)Nc1nc2ccccc2s1)N1CCN2C(=O)[N-]C(=O)[C@H]2C1	ZINC000328929243	553846374	/nfs/dbraw/zinc/84/63/74/553846374.db2.gz	YKAZDRXWTDINQT-GXSJLCMTSA-N	-1	3	359.411	2.349	20	30		FEEDHM
CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)NC1CCN(C2CC2)CC1	ZINC000329014119	553864671	/nfs/dbraw/zinc/86/46/71/553864671.db2.gz	PPNXKCHXEJCYHD-UHFFFAOYSA-N	-1	3	361.471	2.370	20	30		FEEDHM
CSc1cc2c(cc1[N-]C(=O)c1cn([C@H]3CCOC3)nn1)OCCO2	ZINC000330057163	554056652	/nfs/dbraw/zinc/05/66/52/554056652.db2.gz	XACSEKQLLUXTCX-JTQLQIEISA-N	-1	3	362.411	2.369	20	30		FEEDHM
O=C(Nc1cccc(C(=O)N2CCc3nc[n-]c(=O)c3C2)c1)[C@@H]1CCCO1	ZINC000330098725	554064023	/nfs/dbraw/zinc/06/40/23/554064023.db2.gz	ZEGNXGCNDOGYMH-INIZCTEOSA-N	-1	3	368.393	2.148	20	30		FEEDHM
C[C@@H](CC#N)N(C)S(=O)(=O)[N-][C@@H](C(=O)OC(C)(C)C)c1ccccc1	ZINC000509190044	561789260	/nfs/dbraw/zinc/78/92/60/561789260.db2.gz	LJCFANKJJAQGQM-DZGCQCFKSA-N	-1	3	367.471	2.138	20	30		FEEDHM
C[C@@H](C#N)S(=O)(=O)[N-][C@H](c1nc2ccccc2n1C)c1ccccc1	ZINC000510776238	561845976	/nfs/dbraw/zinc/84/59/76/561845976.db2.gz	BZKPECQJTHFKFP-GUYCJALGSA-N	-1	3	354.435	2.494	20	30		FEEDHM
Cc1nc([C@@H](C)[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)n[nH]1	ZINC000511057333	561854989	/nfs/dbraw/zinc/85/49/89/561854989.db2.gz	JSJSTQJJGMLIGB-SSDOTTSWSA-N	-1	3	359.333	2.043	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CC3CCC2CC3)ccc1F	ZINC000362307696	554962435	/nfs/dbraw/zinc/96/24/35/554962435.db2.gz	ZEGPRKLWBNYOBC-UHFFFAOYSA-N	-1	3	352.431	2.305	20	30		FEEDHM
N#Cc1cc(N2CC(S(=O)(=O)[N-]c3ccccc3)C2)ccc1[N+](=O)[O-]	ZINC000364638914	555359729	/nfs/dbraw/zinc/35/97/29/555359729.db2.gz	SQMVNYYTWYDQMG-UHFFFAOYSA-N	-1	3	358.379	2.097	20	30		FEEDHM
Cc1nc([C@H]([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c2ccccc2)n[nH]1	ZINC000365538278	555602766	/nfs/dbraw/zinc/60/27/66/555602766.db2.gz	XTDKRKKFGYMOPS-QGZVFWFLSA-N	-1	3	367.434	2.361	20	30		FEEDHM
Cc1nc([C@@H]([N-]S(=O)(=O)c2cc(C#N)ccc2C)c2ccccc2)n[nH]1	ZINC000371678780	557260971	/nfs/dbraw/zinc/26/09/71/557260971.db2.gz	FGFDOBLCHJPQDS-KRWDZBQOSA-N	-1	3	367.434	2.361	20	30		FEEDHM
Cn1ccc([C@H]([N-]S(=O)(=O)c2ccc(C#N)o2)c2ccc(F)cc2)n1	ZINC000376385448	558166524	/nfs/dbraw/zinc/16/65/24/558166524.db2.gz	PMTZVYPJIWUSBD-MRXNPFEDSA-N	-1	3	360.370	2.092	20	30		FEEDHM
COc1cc(C)cc2c1OCC[C@@H]2[N-]S(=O)(=O)c1cccnc1C#N	ZINC000377315402	558313586	/nfs/dbraw/zinc/31/35/86/558313586.db2.gz	CSIVGLLWAANIFH-ZDUSSCGKSA-N	-1	3	359.407	2.072	20	30		FEEDHM
CCN(C[C@@H](C)C#N)S(=O)(=O)[N-][C@@H](CC(C)C)C(=O)OC(C)(C)C	ZINC000409498716	558697698	/nfs/dbraw/zinc/69/76/98/558697698.db2.gz	IAQQKCZFYDOJNW-KBPBESRZSA-N	-1	3	361.508	2.059	20	30		FEEDHM
CC(C)(C)n1ncnc1C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N	ZINC000409908590	558726660	/nfs/dbraw/zinc/72/66/60/558726660.db2.gz	PLZZYWUPHBLAOL-UHFFFAOYSA-N	-1	3	353.835	2.037	20	30		FEEDHM
C=CCN1CC[C@@H](N(C)C(=O)c2c[n-]c3c(Cl)cccc3c2=O)C1=O	ZINC000412320052	559027364	/nfs/dbraw/zinc/02/73/64/559027364.db2.gz	VHEAJZRUQCKHFO-CQSZACIVSA-N	-1	3	359.813	2.040	20	30		FEEDHM
C=CCN1CC[C@@H](N(C)C(=O)c2cnc3c(Cl)cccc3c2[O-])C1=O	ZINC000412320052	559027365	/nfs/dbraw/zinc/02/73/65/559027365.db2.gz	VHEAJZRUQCKHFO-CQSZACIVSA-N	-1	3	359.813	2.040	20	30		FEEDHM
CC[C@](C)(C#N)NC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1	ZINC000526888072	562269126	/nfs/dbraw/zinc/26/91/26/562269126.db2.gz	XDEMKLLGHXODLC-CYBMUJFWSA-N	-1	3	363.361	2.499	20	30		FEEDHM
N#Cc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CCCSC1	ZINC000416418828	559311687	/nfs/dbraw/zinc/31/16/87/559311687.db2.gz	QMOICNUUEBHOLH-LLVKDONJSA-N	-1	3	361.286	2.495	20	30		FEEDHM
CO[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2cc(Br)ccc2C#N)C1	ZINC000416468752	559315477	/nfs/dbraw/zinc/31/54/77/559315477.db2.gz	GWMMSJOOXKRZGI-VXGBXAGGSA-N	-1	3	359.245	2.167	20	30		FEEDHM
CC(C)(C)c1nc(C[N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)n[nH]1	ZINC000416542421	559320710	/nfs/dbraw/zinc/32/07/10/559320710.db2.gz	LMLBGLIPELWYDR-UHFFFAOYSA-N	-1	3	353.835	2.106	20	30		FEEDHM
CC(C)(C)c1nc(C[N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)n[nH]1	ZINC000416545822	559320942	/nfs/dbraw/zinc/32/09/42/559320942.db2.gz	RLVZSHLVZKLNKY-UHFFFAOYSA-N	-1	3	353.835	2.106	20	30		FEEDHM
C=CCC1(C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)CCOCC1	ZINC000424716252	559674433	/nfs/dbraw/zinc/67/44/33/559674433.db2.gz	BJAPNBYKUBSSHG-UHFFFAOYSA-N	-1	3	358.438	2.050	20	30		FEEDHM
C=C(C)C(C)(C)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1	ZINC000424779688	559676425	/nfs/dbraw/zinc/67/64/25/559676425.db2.gz	WWLMGXFDWCMZJU-UHFFFAOYSA-N	-1	3	350.893	2.398	20	30		FEEDHM
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)CNC(=O)c1cccc([O-])c1	ZINC000427241878	559751186	/nfs/dbraw/zinc/75/11/86/559751186.db2.gz	FYTDCSRGISWIOG-MOPGFXCFSA-N	-1	3	363.417	2.420	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-][C@H](c1ccc(F)cc1)[C@H]1CCCO1	ZINC000428225721	559771804	/nfs/dbraw/zinc/77/18/04/559771804.db2.gz	FWGRQNWXYZKVGU-NVXWUHKLSA-N	-1	3	361.398	2.291	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-]CCSCc1ccccc1F	ZINC000428256422	559772410	/nfs/dbraw/zinc/77/24/10/559772410.db2.gz	KFBDJCIPWTZXKV-UHFFFAOYSA-N	-1	3	351.428	2.304	20	30		FEEDHM
CO[C@H](C[N-]S(=O)(=O)c1cccnc1C#N)c1ccc(Cl)cc1	ZINC000428404719	559774944	/nfs/dbraw/zinc/77/49/44/559774944.db2.gz	CNZYFIKYDUTBPF-CQSZACIVSA-N	-1	3	351.815	2.273	20	30		FEEDHM
C=CCCS(=O)(=O)[N-]c1cc(F)c(OC(F)F)cc1-n1cncn1	ZINC000432455135	559859146	/nfs/dbraw/zinc/85/91/46/559859146.db2.gz	JERDPSLWJGGVMW-UHFFFAOYSA-N	-1	3	362.333	2.326	20	30		FEEDHM
C/C=C\C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)C(=O)OCC	ZINC000433880468	559889570	/nfs/dbraw/zinc/88/95/70/559889570.db2.gz	AITDXJNWJPZKDC-HSBHDXMMSA-N	-1	3	356.831	2.388	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc(Cn3cccn3)cc2)s1	ZINC000435420488	559922358	/nfs/dbraw/zinc/92/23/58/559922358.db2.gz	DCMGPRDWWPLLHD-UHFFFAOYSA-N	-1	3	358.448	2.343	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]CCc2csc(N3CCCC3)n2)s1	ZINC000435428400	559922612	/nfs/dbraw/zinc/92/26/12/559922612.db2.gz	QOZOMZNAEVQOAB-UHFFFAOYSA-N	-1	3	368.509	2.197	20	30		FEEDHM
N#Cc1nc(NC2CCN(C(=O)c3ccccc3[O-])CC2)ccc1Cl	ZINC000436705728	559949430	/nfs/dbraw/zinc/94/94/30/559949430.db2.gz	NTHMWESLYJQAJA-UHFFFAOYSA-N	-1	3	356.813	3.029	20	30		FEEDHM
N#Cc1ccc(C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)s1	ZINC000436704936	559949466	/nfs/dbraw/zinc/94/94/66/559949466.db2.gz	LQPQZWHDAKIUMH-UHFFFAOYSA-N	-1	3	355.419	2.360	20	30		FEEDHM
Cc1ccc(C(=O)NCCC(=O)N[C@@H](C#N)c2ccc(F)cc2)c([O-])c1	ZINC000436947495	559957270	/nfs/dbraw/zinc/95/72/70/559957270.db2.gz	MMQALZOZQQTHQD-INIZCTEOSA-N	-1	3	355.369	2.341	20	30		FEEDHM
CCOc1ccc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)cc1	ZINC000443007188	560065774	/nfs/dbraw/zinc/06/57/74/560065774.db2.gz	LXLALNYYIFRRQU-UHFFFAOYSA-N	-1	3	361.379	2.344	20	30		FEEDHM
CN(C(=O)C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N)C1CCCCC1	ZINC000443372775	560082305	/nfs/dbraw/zinc/08/23/05/560082305.db2.gz	MIGAEMMSUZZQJY-UHFFFAOYSA-N	-1	3	369.874	2.281	20	30		FEEDHM
N#Cc1cc(F)ccc1S(=O)(=O)[N-]CC[C@H]1COc2ccccc2O1	ZINC000443487994	560085319	/nfs/dbraw/zinc/08/53/19/560085319.db2.gz	IEMUEAHKJDDNBG-AWEZNQCLSA-N	-1	3	362.382	2.206	20	30		FEEDHM
CC(C)(CC#N)CS(=O)(=O)[N-][C@H](Cc1ccccc1)[C@H](O)C(F)F	ZINC000451224603	560294084	/nfs/dbraw/zinc/29/40/84/560294084.db2.gz	DNRXWMMBZUZDPS-KGLIPLIRSA-N	-1	3	360.426	2.083	20	30		FEEDHM
CN(C)C(=O)C1([N-]S(=O)(=O)c2ccc(Cl)cc2C#N)CCCCC1	ZINC000451771865	560327638	/nfs/dbraw/zinc/32/76/38/560327638.db2.gz	IOKKILMFCPULMX-UHFFFAOYSA-N	-1	3	369.874	2.281	20	30		FEEDHM
CC(C)[C@@H](CO)[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)C(C)C	ZINC000451864097	560333100	/nfs/dbraw/zinc/33/31/00/560333100.db2.gz	WRSBUFNJTNQKGI-CJNGLKHVSA-N	-1	3	369.443	2.034	20	30		FEEDHM
Cc1nsc(N2CCN(C(=O)Cc3ccc([O-])c(F)c3)CC2)c1C#N	ZINC000451867710	560333529	/nfs/dbraw/zinc/33/35/29/560333529.db2.gz	OJHPFYABXDHHDF-UHFFFAOYSA-N	-1	3	360.414	2.059	20	30		FEEDHM
C=CCC[C@H]([N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])C(=O)OCC	ZINC000451983544	560342308	/nfs/dbraw/zinc/34/23/08/560342308.db2.gz	CEEQDOBONHSJON-ZDUSSCGKSA-N	-1	3	370.427	2.388	20	30		FEEDHM
C=CCC[C@H]([N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])C(=O)OCC	ZINC000451994105	560343601	/nfs/dbraw/zinc/34/36/01/560343601.db2.gz	NWGJKTLMNNQMJE-LBPRGKRZSA-N	-1	3	356.400	2.079	20	30		FEEDHM
C=C(C)CCNC(=O)C[N-]S(=O)(=O)c1ccccc1C(F)(F)F	ZINC000452727694	560372324	/nfs/dbraw/zinc/37/23/24/560372324.db2.gz	ZKRGVHCGNWPLDS-UHFFFAOYSA-N	-1	3	350.362	2.066	20	30		FEEDHM
C=CC(C)(C)CNC(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1	ZINC000455365831	560479701	/nfs/dbraw/zinc/47/97/01/560479701.db2.gz	LCZVQMNEPLTAAJ-UHFFFAOYSA-N	-1	3	371.528	2.413	20	30		FEEDHM
COCCN(CC#N)C(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O	ZINC000457208170	560556050	/nfs/dbraw/zinc/55/60/50/560556050.db2.gz	WDWBQNRFGKLBHE-UHFFFAOYSA-N	-1	3	369.299	2.039	20	30		FEEDHM
C=C(C)CCNC(=O)NCc1cccc(-c2n[n-]c(C(=O)OCC)n2)c1	ZINC000458989392	560660712	/nfs/dbraw/zinc/66/07/12/560660712.db2.gz	BDLSDNYCGWNFFT-UHFFFAOYSA-N	-1	3	357.414	2.414	20	30		FEEDHM
C=C(C)CCNC(=O)NCc1cccc(-c2nnc(C(=O)OCC)[n-]2)c1	ZINC000458989392	560660711	/nfs/dbraw/zinc/66/07/11/560660711.db2.gz	BDLSDNYCGWNFFT-UHFFFAOYSA-N	-1	3	357.414	2.414	20	30		FEEDHM
Cn1c2cc([O-])c(NC(=O)C3(c4ccc(C#N)cc4)CC3)cc2n(C)c1=O	ZINC000461615677	560776727	/nfs/dbraw/zinc/77/67/27/560776727.db2.gz	FGJOIMJGQCMBRX-UHFFFAOYSA-N	-1	3	362.389	2.125	20	30		FEEDHM
N#C[C@H](C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)c1nccc2ccccc21	ZINC000461799815	560784555	/nfs/dbraw/zinc/78/45/55/560784555.db2.gz	ZMAAUWIADJAPQL-INIZCTEOSA-N	-1	3	356.341	2.364	20	30		FEEDHM
C[C@@H](C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C)c1cccc(C#N)c1	ZINC000462457201	560810750	/nfs/dbraw/zinc/81/07/50/560810750.db2.gz	UJZZEIOICBWVLC-LLVKDONJSA-N	-1	3	350.378	2.196	20	30		FEEDHM
C[C@@]1(c2ccc(CNc3cc(C#N)ccc3[N+](=O)[O-])cc2)NC(=O)[N-]C1=O	ZINC000466355060	560884813	/nfs/dbraw/zinc/88/48/13/560884813.db2.gz	FSQDFVZTOVFHRX-SFHVURJKSA-N	-1	3	365.349	2.133	20	30		FEEDHM
CC[C@@H]1CCCCN1CC[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000467162778	560905280	/nfs/dbraw/zinc/90/52/80/560905280.db2.gz	ZUZMKXSZWBGILI-CYBMUJFWSA-N	-1	3	357.426	2.379	20	30		FEEDHM
COC(=O)c1cc([N-]C(=O)c2sccc2C#N)cc(S(C)(=O)=O)c1	ZINC000468193049	560924392	/nfs/dbraw/zinc/92/43/92/560924392.db2.gz	UBPJSHOWUYGUAZ-UHFFFAOYSA-N	-1	3	364.404	2.062	20	30		FEEDHM
N#CC(=C([O-])c1ccc(Cn2ccnn2)cc1)c1nnc2n1CCCCC2	ZINC000528931626	562353304	/nfs/dbraw/zinc/35/33/04/562353304.db2.gz	YEETYFJAIFAQML-INIZCTEOSA-N	-1	3	361.409	2.134	20	30		FEEDHM
C=CCc1cc(OC)cc(CN2CC[C@H]3CC[C@@H](C2)S3(=O)=O)c1[O-]	ZINC000530108939	562398695	/nfs/dbraw/zinc/39/86/95/562398695.db2.gz	ULKWNMMLRFAKQY-SJORKVTESA-N	-1	3	351.468	2.281	20	30		FEEDHM
CO[C@H](C)c1nc(C[N-]S(=O)(=O)c2ccc(C#N)cc2F)cs1	ZINC000530974558	562430558	/nfs/dbraw/zinc/43/05/58/562430558.db2.gz	CAUFGIQVNXQYOK-SECBINFHSA-N	-1	3	355.416	2.340	20	30		FEEDHM
Cc1cc(C(=O)N[C@H](C#N)c2ccc(OC(F)(F)F)cc2)[n-]c(=O)n1	ZINC000531646800	562452639	/nfs/dbraw/zinc/45/26/39/562452639.db2.gz	CLHMSYMWPWSJFA-GFCCVEGCSA-N	-1	3	352.272	2.384	20	30		FEEDHM
N#CCc1ccnc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])c1	ZINC000532184178	562470220	/nfs/dbraw/zinc/47/02/20/562470220.db2.gz	NWGGQTNVQXVGKJ-OAHLLOKOSA-N	-1	3	350.378	2.097	20	30		FEEDHM
COC(=O)[C@@H]([N-]S(=O)(=O)CCCCC#N)c1ccc(Cl)c(F)c1	ZINC000533908710	562521010	/nfs/dbraw/zinc/52/10/10/562521010.db2.gz	LLTNSAZTWWLOBZ-ZDUSSCGKSA-N	-1	3	362.810	2.306	20	30		FEEDHM
CC(C)c1nc([C@H](C)[N-]S(=O)(=O)c2cccc(Cl)c2C#N)n[nH]1	ZINC000534243118	562528337	/nfs/dbraw/zinc/52/83/37/562528337.db2.gz	REXZQALFYLKQCN-VIFPVBQESA-N	-1	3	353.835	2.493	20	30		FEEDHM
CSc1[n-]c(=O)c(C(=O)N[C@H]2CN(C)C[C@H]2c2ccccc2)cc1C#N	ZINC000540901623	562596133	/nfs/dbraw/zinc/59/61/33/562596133.db2.gz	NSQVIEGTBTZYQG-HOTGVXAUSA-N	-1	3	368.462	2.208	20	30		FEEDHM
C[C@@]1(c2ccc(-c3noc(-c4cc(C#N)cs4)n3)cc2)NC(=O)[N-]C1=O	ZINC000545533064	562628508	/nfs/dbraw/zinc/62/85/08/562628508.db2.gz	OILMZOLWABKJBR-KRWDZBQOSA-N	-1	3	365.374	2.391	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(-c2ccc(C(N)=O)cc2)no1	ZINC000545619030	562629383	/nfs/dbraw/zinc/62/93/83/562629383.db2.gz	CMVGEEHSMWLNOW-UHFFFAOYSA-N	-1	3	363.377	2.210	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCO[C@H](c3ccncc3)C2)c(F)c1	ZINC000570280416	568472146	/nfs/dbraw/zinc/47/21/46/568472146.db2.gz	WQJIMJZGYMSMLY-HOCLYGCPSA-N	-1	3	361.398	2.291	20	30		FEEDHM
C#CCCNC(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1	ZINC000735375648	598837692	/nfs/dbraw/zinc/83/76/92/598837692.db2.gz	NQAOFHZVFKNPKP-UHFFFAOYSA-N	-1	3	353.411	2.059	20	30		FEEDHM
C#CCCNC(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1	ZINC000735375648	598837694	/nfs/dbraw/zinc/83/76/94/598837694.db2.gz	NQAOFHZVFKNPKP-UHFFFAOYSA-N	-1	3	353.411	2.059	20	30		FEEDHM
COc1ccc(O[C@H](C)C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1	ZINC000737109407	598916808	/nfs/dbraw/zinc/91/68/08/598916808.db2.gz	PNSWEFIBNDGJDB-LLVKDONJSA-N	-1	3	364.365	2.153	20	30		FEEDHM
COc1ccc(O[C@H](C)C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1	ZINC000737109407	598916810	/nfs/dbraw/zinc/91/68/10/598916810.db2.gz	PNSWEFIBNDGJDB-LLVKDONJSA-N	-1	3	364.365	2.153	20	30		FEEDHM
N#C[C@H]1CN(Cc2ccc(-c3nnn[n-]3)cc2)CCN1Cc1ccccc1	ZINC000737679318	598919000	/nfs/dbraw/zinc/91/90/00/598919000.db2.gz	PJVXQAXNQIJJRX-IBGZPJMESA-N	-1	3	359.437	2.077	20	30		FEEDHM
N#C[C@H]1CN(Cc2ccc(-c3nn[n-]n3)cc2)CCN1Cc1ccccc1	ZINC000737679318	598919002	/nfs/dbraw/zinc/91/90/02/598919002.db2.gz	PJVXQAXNQIJJRX-IBGZPJMESA-N	-1	3	359.437	2.077	20	30		FEEDHM
N#C[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)cc2)CCN1Cc1ccccc1	ZINC000737679324	598919212	/nfs/dbraw/zinc/91/92/12/598919212.db2.gz	PJVXQAXNQIJJRX-LJQANCHMSA-N	-1	3	359.437	2.077	20	30		FEEDHM
N#C[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)cc2)CCN1Cc1ccccc1	ZINC000737679324	598919213	/nfs/dbraw/zinc/91/92/13/598919213.db2.gz	PJVXQAXNQIJJRX-LJQANCHMSA-N	-1	3	359.437	2.077	20	30		FEEDHM
N#Cc1cc(NC(=O)COc2ccc(Cl)cc2)ccc1-c1nnn[n-]1	ZINC000737707610	598919226	/nfs/dbraw/zinc/91/92/26/598919226.db2.gz	AQKPYJXMYSLFRK-UHFFFAOYSA-N	-1	3	354.757	2.409	20	30		FEEDHM
N#Cc1cc(NC(=O)COc2ccc(Cl)cc2)ccc1-c1nn[n-]n1	ZINC000737707610	598919227	/nfs/dbraw/zinc/91/92/27/598919227.db2.gz	AQKPYJXMYSLFRK-UHFFFAOYSA-N	-1	3	354.757	2.409	20	30		FEEDHM
C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1	ZINC000736173285	598920865	/nfs/dbraw/zinc/92/08/65/598920865.db2.gz	GBYUBJKYCOLNPW-SNVBAGLBSA-N	-1	3	352.329	2.283	20	30		FEEDHM
C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1	ZINC000736173285	598920866	/nfs/dbraw/zinc/92/08/66/598920866.db2.gz	GBYUBJKYCOLNPW-SNVBAGLBSA-N	-1	3	352.329	2.283	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2ccc3c(c2)OCCCO3)cc1-c1nnn[n-]1	ZINC000737719857	598920964	/nfs/dbraw/zinc/92/09/64/598920964.db2.gz	WMQXRDNZQKEBEL-UHFFFAOYSA-N	-1	3	362.349	2.152	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2ccc3c(c2)OCCCO3)cc1-c1nn[n-]n1	ZINC000737719857	598920966	/nfs/dbraw/zinc/92/09/66/598920966.db2.gz	WMQXRDNZQKEBEL-UHFFFAOYSA-N	-1	3	362.349	2.152	20	30		FEEDHM
Cc1cnn(-c2ccc(C(=O)Nc3ccc(C#N)c(-c4nnn[n-]4)c3)cc2)c1	ZINC000737445785	598925965	/nfs/dbraw/zinc/92/59/65/598925965.db2.gz	VQGCLHHLHWJSOD-UHFFFAOYSA-N	-1	3	370.376	2.485	20	30		FEEDHM
Cc1cnn(-c2ccc(C(=O)Nc3ccc(C#N)c(-c4nn[n-]n4)c3)cc2)c1	ZINC000737445785	598925967	/nfs/dbraw/zinc/92/59/67/598925967.db2.gz	VQGCLHHLHWJSOD-UHFFFAOYSA-N	-1	3	370.376	2.485	20	30		FEEDHM
COc1ccccc1C=NOCCOc1ccc(-c2nnn[n-]2)cc1OC	ZINC000737147764	598978187	/nfs/dbraw/zinc/97/81/87/598978187.db2.gz	OAJJJWONLXFOLJ-UHFFFAOYSA-N	-1	3	369.381	2.313	20	30		FEEDHM
COc1ccccc1C=NOCCOc1ccc(-c2nn[n-]n2)cc1OC	ZINC000737147764	598978188	/nfs/dbraw/zinc/97/81/88/598978188.db2.gz	OAJJJWONLXFOLJ-UHFFFAOYSA-N	-1	3	369.381	2.313	20	30		FEEDHM
Cc1cc(C#N)ccc1S(=O)(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1	ZINC000737231318	598999969	/nfs/dbraw/zinc/99/99/69/598999969.db2.gz	NRIXEBRFDNENSF-LBPRGKRZSA-N	-1	3	368.422	2.086	20	30		FEEDHM
Cc1cc(C#N)ccc1S(=O)(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1	ZINC000737231318	598999972	/nfs/dbraw/zinc/99/99/72/598999972.db2.gz	NRIXEBRFDNENSF-LBPRGKRZSA-N	-1	3	368.422	2.086	20	30		FEEDHM
C[C@@H](C#N)CNC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1	ZINC000735502896	599030603	/nfs/dbraw/zinc/03/06/03/599030603.db2.gz	HFZORYCBFSMLHA-ZDUSSCGKSA-N	-1	3	362.393	2.335	20	30		FEEDHM
C#CCOc1cc(F)ccc1NC(=O)COc1ccccc1-c1nnn[n-]1	ZINC000735380236	599092132	/nfs/dbraw/zinc/09/21/32/599092132.db2.gz	GOHPAWRUVYQYGV-UHFFFAOYSA-N	-1	3	367.340	2.035	20	30		FEEDHM
C#CCOc1cc(F)ccc1NC(=O)COc1ccccc1-c1nn[n-]n1	ZINC000735380236	599092135	/nfs/dbraw/zinc/09/21/35/599092135.db2.gz	GOHPAWRUVYQYGV-UHFFFAOYSA-N	-1	3	367.340	2.035	20	30		FEEDHM
CN(C)c1cc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc(Cl)n1	ZINC000736770903	599199819	/nfs/dbraw/zinc/19/98/19/599199819.db2.gz	TZUDEVFPUPPRTL-UHFFFAOYSA-N	-1	3	368.788	2.105	20	30		FEEDHM
CN(C)c1cc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc(Cl)n1	ZINC000736770903	599199821	/nfs/dbraw/zinc/19/98/21/599199821.db2.gz	TZUDEVFPUPPRTL-UHFFFAOYSA-N	-1	3	368.788	2.105	20	30		FEEDHM
C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(CCN2CCSCC2)cc1	ZINC000819846690	598225833	/nfs/dbraw/zinc/22/58/33/598225833.db2.gz	FNHOCHKAOQVSIM-SFHVURJKSA-N	-1	3	361.467	2.221	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=S)Nc1cnn(CC)c1	ZINC000735420389	598295125	/nfs/dbraw/zinc/29/51/25/598295125.db2.gz	PFLAHDZQPOIKNE-UHFFFAOYSA-N	-1	3	368.470	2.468	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=S)Nc1cnn(CC)c1	ZINC000735420389	598295127	/nfs/dbraw/zinc/29/51/27/598295127.db2.gz	PFLAHDZQPOIKNE-UHFFFAOYSA-N	-1	3	368.470	2.468	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](C)c1nc(C)no1	ZINC000735420134	598302860	/nfs/dbraw/zinc/30/28/60/598302860.db2.gz	MQSPUYFXGJJWTJ-NSHDSACASA-N	-1	3	368.401	2.017	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](C)c1nc(C)no1	ZINC000735420134	598302862	/nfs/dbraw/zinc/30/28/62/598302862.db2.gz	MQSPUYFXGJJWTJ-NSHDSACASA-N	-1	3	368.401	2.017	20	30		FEEDHM
CCN(CC#N)C(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1	ZINC000736511260	598327303	/nfs/dbraw/zinc/32/73/03/598327303.db2.gz	DLTHOZRZRBWBKR-UHFFFAOYSA-N	-1	3	352.354	2.024	20	30		FEEDHM
CCN(CC#N)C(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1	ZINC000736511260	598327305	/nfs/dbraw/zinc/32/73/05/598327305.db2.gz	DLTHOZRZRBWBKR-UHFFFAOYSA-N	-1	3	352.354	2.024	20	30		FEEDHM
C#CCOc1ccc(NC(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)cc1	ZINC000735380691	598494471	/nfs/dbraw/zinc/49/44/71/598494471.db2.gz	LFFAXHPFVFZXFJ-CYBMUJFWSA-N	-1	3	363.377	2.285	20	30		FEEDHM
C#CCOc1ccc(NC(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)cc1	ZINC000735380691	598494472	/nfs/dbraw/zinc/49/44/72/598494472.db2.gz	LFFAXHPFVFZXFJ-CYBMUJFWSA-N	-1	3	363.377	2.285	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@H](COC(F)F)C1	ZINC000557124516	674438049	/nfs/dbraw/zinc/43/80/49/674438049.db2.gz	QCPNTWRIGUILLQ-GFCCVEGCSA-N	-1	3	353.369	2.296	20	30		FEEDHM
N#Cc1ccc(OC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)cc1	ZINC000737722693	598570592	/nfs/dbraw/zinc/57/05/92/598570592.db2.gz	XSCRHGMXELRAFV-KRWDZBQOSA-N	-1	3	360.377	2.313	20	30		FEEDHM
N#Cc1ccccc1COC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1	ZINC000737727926	598620654	/nfs/dbraw/zinc/62/06/54/598620654.db2.gz	UQYNFHFBNFALFV-GOSISDBHSA-N	-1	3	374.404	2.451	20	30		FEEDHM
S=C(NN=C1CCCc2cc(-c3nnn[n-]3)ccc21)Nc1cccnc1	ZINC000823732296	599333523	/nfs/dbraw/zinc/33/35/23/599333523.db2.gz	KNAKJPOKEMLGLM-UHFFFAOYSA-N	-1	3	364.438	2.289	20	30		FEEDHM
S=C(NN=C1CCCc2cc(-c3nn[n-]n3)ccc21)Nc1cccnc1	ZINC000823732296	599333525	/nfs/dbraw/zinc/33/35/25/599333525.db2.gz	KNAKJPOKEMLGLM-UHFFFAOYSA-N	-1	3	364.438	2.289	20	30		FEEDHM
Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)Oc1c(C)cc(C#N)cc1C	ZINC000822153659	599360208	/nfs/dbraw/zinc/36/02/08/599360208.db2.gz	OGTLCISTRWXGMO-UHFFFAOYSA-N	-1	3	369.406	2.431	20	30		FEEDHM
Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)Oc1c(C)cc(C#N)cc1C	ZINC000822153659	599360211	/nfs/dbraw/zinc/36/02/11/599360211.db2.gz	OGTLCISTRWXGMO-UHFFFAOYSA-N	-1	3	369.406	2.431	20	30		FEEDHM
COc1c(C)cnc(CSc2nc(N)c(-c3nnn[n-]3)cc2C#N)c1C	ZINC000737025795	599368352	/nfs/dbraw/zinc/36/83/52/599368352.db2.gz	NEXKHDJXVWYUDB-UHFFFAOYSA-N	-1	3	368.426	2.028	20	30		FEEDHM
COc1c(C)cnc(CSc2nc(N)c(-c3nn[n-]n3)cc2C#N)c1C	ZINC000737025795	599368355	/nfs/dbraw/zinc/36/83/55/599368355.db2.gz	NEXKHDJXVWYUDB-UHFFFAOYSA-N	-1	3	368.426	2.028	20	30		FEEDHM
CCN(C[C@@H](C)C#N)C(=O)CNc1ccc(OC(C)C)c(-c2nnn[n-]2)c1	ZINC000821170835	607372950	/nfs/dbraw/zinc/37/29/50/607372950.db2.gz	XDZWPCCIPRPXSV-ZDUSSCGKSA-N	-1	3	371.445	2.074	20	30		FEEDHM
CCN(C[C@@H](C)C#N)C(=O)CNc1ccc(OC(C)C)c(-c2nn[n-]n2)c1	ZINC000821170835	607372952	/nfs/dbraw/zinc/37/29/52/607372952.db2.gz	XDZWPCCIPRPXSV-ZDUSSCGKSA-N	-1	3	371.445	2.074	20	30		FEEDHM
CN(Cc1ccc(C#N)cc1)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F	ZINC000821609953	599458746	/nfs/dbraw/zinc/45/87/46/599458746.db2.gz	SOAZBCHZTPQXDF-UHFFFAOYSA-N	-1	3	365.372	2.219	20	30		FEEDHM
CN(Cc1ccc(C#N)cc1)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F	ZINC000821609953	599458747	/nfs/dbraw/zinc/45/87/47/599458747.db2.gz	SOAZBCHZTPQXDF-UHFFFAOYSA-N	-1	3	365.372	2.219	20	30		FEEDHM
CN(C)c1ccc(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)cc1	ZINC000736774711	599460244	/nfs/dbraw/zinc/46/02/44/599460244.db2.gz	YFGKCVVSTIMOPB-CMDGGOBGSA-N	-1	3	359.393	2.477	20	30		FEEDHM
CN(C)c1ccc(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)cc1	ZINC000736774711	599460245	/nfs/dbraw/zinc/46/02/45/599460245.db2.gz	YFGKCVVSTIMOPB-CMDGGOBGSA-N	-1	3	359.393	2.477	20	30		FEEDHM
Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-c3nn[n-]n3)cc2C)c1	ZINC000826299200	607400489	/nfs/dbraw/zinc/40/04/89/607400489.db2.gz	VLSPCOOVVTXWPO-INIZCTEOSA-N	-1	3	360.377	2.445	20	30		FEEDHM
C#CCOc1ccc(C(=O)OCc2cc(-c3nnn[n-]3)ccc2OC)cc1	ZINC000819709584	607417252	/nfs/dbraw/zinc/41/72/52/607417252.db2.gz	KSMIPZHHIUDGTI-UHFFFAOYSA-N	-1	3	364.361	2.244	20	30		FEEDHM
C#CCOc1ccc(C(=O)OCc2cc(-c3nn[n-]n3)ccc2OC)cc1	ZINC000819709584	607417254	/nfs/dbraw/zinc/41/72/54/607417254.db2.gz	KSMIPZHHIUDGTI-UHFFFAOYSA-N	-1	3	364.361	2.244	20	30		FEEDHM
C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NC1(c2cccc(C#N)c2)CC1	ZINC000824728678	607421814	/nfs/dbraw/zinc/42/18/14/607421814.db2.gz	GNBJCDUGVSZMSQ-CYBMUJFWSA-N	-1	3	374.404	2.311	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)COc1ccccc1O	ZINC000819743699	607446025	/nfs/dbraw/zinc/44/60/25/607446025.db2.gz	OTDZPUBARLNRDG-UHFFFAOYSA-N	-1	3	365.393	2.166	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)COc1ccccc1O	ZINC000819743699	607446026	/nfs/dbraw/zinc/44/60/26/607446026.db2.gz	OTDZPUBARLNRDG-UHFFFAOYSA-N	-1	3	365.393	2.166	20	30		FEEDHM
C#Cc1cccc(NC(=S)NN=Cc2ccc(-c3nnn[n-]3)cc2F)c1	ZINC000819709311	607464482	/nfs/dbraw/zinc/46/44/82/607464482.db2.gz	BWZNBBNSVNPAHY-UHFFFAOYSA-N	-1	3	365.397	2.308	20	30		FEEDHM
C#Cc1cccc(NC(=S)NN=Cc2ccc(-c3nn[n-]n3)cc2F)c1	ZINC000819709311	607464483	/nfs/dbraw/zinc/46/44/83/607464483.db2.gz	BWZNBBNSVNPAHY-UHFFFAOYSA-N	-1	3	365.397	2.308	20	30		FEEDHM
COc1cc([N+](=O)[O-])ccc1NN=Cc1ccc(-c2nnn[n-]2)cc1F	ZINC000821727727	607464978	/nfs/dbraw/zinc/46/49/78/607464978.db2.gz	NMBFYHHSXFDSFE-UHFFFAOYSA-N	-1	3	357.305	2.369	20	30		FEEDHM
COc1cc([N+](=O)[O-])ccc1NN=Cc1ccc(-c2nn[n-]n2)cc1F	ZINC000821727727	607464979	/nfs/dbraw/zinc/46/49/79/607464979.db2.gz	NMBFYHHSXFDSFE-UHFFFAOYSA-N	-1	3	357.305	2.369	20	30		FEEDHM
N#Cc1ccc(CCC(=O)Nc2ncc3cc(-c4nnn[n-]4)ccc3n2)cc1	ZINC000826384958	607468066	/nfs/dbraw/zinc/46/80/66/607468066.db2.gz	REZRTBFMTKWQFH-UHFFFAOYSA-N	-1	3	370.376	2.253	20	30		FEEDHM
N#Cc1ccc(CCC(=O)Nc2ncc3cc(-c4nn[n-]n4)ccc3n2)cc1	ZINC000826384958	607468068	/nfs/dbraw/zinc/46/80/68/607468068.db2.gz	REZRTBFMTKWQFH-UHFFFAOYSA-N	-1	3	370.376	2.253	20	30		FEEDHM
CS(=O)(=O)Cc1cccc(CN[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1	ZINC000832681518	601304277	/nfs/dbraw/zinc/30/42/77/601304277.db2.gz	BEASHYUYPLOQSA-QGZVFWFLSA-N	-1	3	358.419	2.018	20	30		FEEDHM
COc1ccc(CNC(=O)C=Cc2ccccc2C#N)cc1-c1nnn[n-]1	ZINC000826196917	607582669	/nfs/dbraw/zinc/58/26/69/607582669.db2.gz	SFHJWWNXHIMAML-VQHVLOKHSA-N	-1	3	360.377	2.077	20	30		FEEDHM
COc1ccc(CNC(=O)C=Cc2ccccc2C#N)cc1-c1nn[n-]n1	ZINC000826196917	607582671	/nfs/dbraw/zinc/58/26/71/607582671.db2.gz	SFHJWWNXHIMAML-VQHVLOKHSA-N	-1	3	360.377	2.077	20	30		FEEDHM
Cc1cccc(S(=O)(=O)N[C@H](C)c2ccc(C#N)cc2)c1-c1nnn[n-]1	ZINC000826302453	607587721	/nfs/dbraw/zinc/58/77/21/607587721.db2.gz	KAWCNNTYHFZTOT-GFCCVEGCSA-N	-1	3	368.422	2.086	20	30		FEEDHM
Cc1cccc(S(=O)(=O)N[C@H](C)c2ccc(C#N)cc2)c1-c1nn[n-]n1	ZINC000826302453	607587722	/nfs/dbraw/zinc/58/77/22/607587722.db2.gz	KAWCNNTYHFZTOT-GFCCVEGCSA-N	-1	3	368.422	2.086	20	30		FEEDHM
CCN(CC1CCN(C[C@H](O)COc2ccc(C#N)cc2)CC1)C(=O)[O-]	ZINC000827092996	603510124	/nfs/dbraw/zinc/51/01/24/603510124.db2.gz	KVDFKZRGWMKKDQ-KRWDZBQOSA-N	-1	3	361.442	2.010	20	30		FEEDHM
Cc1csc(=NCC(F)(F)F)n1N=Cc1ccc(-c2nnn[n-]2)s1	ZINC000826320103	607634537	/nfs/dbraw/zinc/63/45/37/607634537.db2.gz	GLUSNSPRHYIYGH-UHFFFAOYSA-N	-1	3	373.389	2.445	20	30		FEEDHM
C[C@H]1CCCN(CCC(=O)Nc2sccc2C#N)[C@@H]1CNC(=O)[O-]	ZINC000825925186	603715198	/nfs/dbraw/zinc/71/51/98/603715198.db2.gz	NLROTYITWUZUTA-WCQYABFASA-N	-1	3	350.444	2.316	20	30		FEEDHM
N#Cc1ccc(CN2CCC[C@@H](CNC(=O)[C@@H]3CCCN3C(=O)[O-])C2)cc1	ZINC000833971752	605520348	/nfs/dbraw/zinc/52/03/48/605520348.db2.gz	MNNKHLMAYJAFTK-ROUUACIJSA-N	-1	3	370.453	2.029	20	30		FEEDHM
N#Cc1ccc(C(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)[nH]1	ZINC000826384935	607771350	/nfs/dbraw/zinc/77/13/50/607771350.db2.gz	PRDMUMOOUOMCMN-UHFFFAOYSA-N	-1	3	362.378	2.442	20	30		FEEDHM
N#Cc1ccc(C(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)[nH]1	ZINC000826384935	607771351	/nfs/dbraw/zinc/77/13/51/607771351.db2.gz	PRDMUMOOUOMCMN-UHFFFAOYSA-N	-1	3	362.378	2.442	20	30		FEEDHM
N#Cc1cccnc1NCCNc1nc2ccccc2cc1-c1nnn[n-]1	ZINC000822842593	606057348	/nfs/dbraw/zinc/05/73/48/606057348.db2.gz	PNQRGQUSEQPVDO-UHFFFAOYSA-N	-1	3	357.381	2.206	20	30		FEEDHM
N#Cc1cccnc1NCCNc1nc2ccccc2cc1-c1nn[n-]n1	ZINC000822842593	606057350	/nfs/dbraw/zinc/05/73/50/606057350.db2.gz	PNQRGQUSEQPVDO-UHFFFAOYSA-N	-1	3	357.381	2.206	20	30		FEEDHM
NC(=NOCc1cn2ccccc2c1-c1nnn[n-]1)c1ccc(F)cc1	ZINC000822850421	606176190	/nfs/dbraw/zinc/17/61/90/606176190.db2.gz	HEZMENJETPIRNE-UHFFFAOYSA-N	-1	3	351.345	2.096	20	30		FEEDHM
NC(=NOCc1cn2ccccc2c1-c1nn[n-]n1)c1ccc(F)cc1	ZINC000822850421	606176191	/nfs/dbraw/zinc/17/61/91/606176191.db2.gz	HEZMENJETPIRNE-UHFFFAOYSA-N	-1	3	351.345	2.096	20	30		FEEDHM
N#Cc1ccsc1N1CC[C@H](Nc2ccc(F)c(-c3nnn[n-]3)c2)C1=O	ZINC000822842439	606248793	/nfs/dbraw/zinc/24/87/93/606248793.db2.gz	IJNVSSIXPFVFBP-ZDUSSCGKSA-N	-1	3	369.385	2.156	20	30		FEEDHM
N#Cc1ccsc1N1CC[C@H](Nc2ccc(F)c(-c3nn[n-]n3)c2)C1=O	ZINC000822842439	606248795	/nfs/dbraw/zinc/24/87/95/606248795.db2.gz	IJNVSSIXPFVFBP-ZDUSSCGKSA-N	-1	3	369.385	2.156	20	30		FEEDHM
COC(=O)[C@H](N[C@H](C)c1ccc(C#N)cc1)c1cccc(-c2nnn[n-]2)c1	ZINC000821641110	606299381	/nfs/dbraw/zinc/29/93/81/606299381.db2.gz	WIJVRVYSQBRLDR-SJKOYZFVSA-N	-1	3	362.393	2.303	20	30		FEEDHM
COC(=O)[C@H](N[C@H](C)c1ccc(C#N)cc1)c1cccc(-c2nn[n-]n2)c1	ZINC000821641110	606299383	/nfs/dbraw/zinc/29/93/83/606299383.db2.gz	WIJVRVYSQBRLDR-SJKOYZFVSA-N	-1	3	362.393	2.303	20	30		FEEDHM
S=C1N=NC(c2ccccc2)N1N=Cc1ccc(-c2nnn[n-]2)s1	ZINC000823737757	606369792	/nfs/dbraw/zinc/36/97/92/606369792.db2.gz	JUWUCGYDAWMXSQ-UHFFFAOYSA-N	-1	3	354.424	2.358	20	30		FEEDHM
C#CCN(CC#C)C(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1	ZINC000819697308	606459037	/nfs/dbraw/zinc/45/90/37/606459037.db2.gz	ABRMISJCHMDPHN-UHFFFAOYSA-N	-1	3	371.400	2.154	20	30		FEEDHM
C#CCN(CC#C)C(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1	ZINC000819697308	606459038	/nfs/dbraw/zinc/45/90/38/606459038.db2.gz	ABRMISJCHMDPHN-UHFFFAOYSA-N	-1	3	371.400	2.154	20	30		FEEDHM
COc1cc(C)c(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1OC	ZINC000821708527	606681008	/nfs/dbraw/zinc/68/10/08/606681008.db2.gz	RVUNBJFCUQLCTH-UHFFFAOYSA-N	-1	3	364.365	2.316	20	30		FEEDHM
COc1cc(C)c(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1OC	ZINC000821708527	606681009	/nfs/dbraw/zinc/68/10/09/606681009.db2.gz	RVUNBJFCUQLCTH-UHFFFAOYSA-N	-1	3	364.365	2.316	20	30		FEEDHM
N#CCOc1cc(F)ccc1NCCOc1ccc(-c2nn[n-]n2)cc1	ZINC000822810034	606708831	/nfs/dbraw/zinc/70/88/31/606708831.db2.gz	AEFZAGZYYIOMNM-UHFFFAOYSA-N	-1	3	354.345	2.399	20	30		FEEDHM
N#Cc1ccc(Cl)cc1OCC(=O)Nc1sccc1-c1nnn[n-]1	ZINC000822825396	606785380	/nfs/dbraw/zinc/78/53/80/606785380.db2.gz	DFNPRDMKYGQWGU-UHFFFAOYSA-N	-1	3	360.786	2.471	20	30		FEEDHM
N#Cc1ccc(Cl)cc1OCC(=O)Nc1sccc1-c1nn[n-]n1	ZINC000822825396	606785381	/nfs/dbraw/zinc/78/53/81/606785381.db2.gz	DFNPRDMKYGQWGU-UHFFFAOYSA-N	-1	3	360.786	2.471	20	30		FEEDHM
C=CCC(CC=C)C(=O)O[C@@H](C(=O)OC)c1cccc(-c2nnn[n-]2)c1	ZINC000819734752	607004441	/nfs/dbraw/zinc/00/44/41/607004441.db2.gz	SHRRAWAVGJSRTO-OAHLLOKOSA-N	-1	3	356.382	2.392	20	30		FEEDHM
C=CCC(CC=C)C(=O)O[C@@H](C(=O)OC)c1cccc(-c2nn[n-]n2)c1	ZINC000819734752	607004443	/nfs/dbraw/zinc/00/44/43/607004443.db2.gz	SHRRAWAVGJSRTO-OAHLLOKOSA-N	-1	3	356.382	2.392	20	30		FEEDHM
Cc1nnc(-c2ccc(C(=O)Nc3ccc(-c4nnn[n-]4)c(C#N)c3)cc2)o1	ZINC000822505346	607019517	/nfs/dbraw/zinc/01/95/17/607019517.db2.gz	JNSYNKRSWFHRBE-UHFFFAOYSA-N	-1	3	372.348	2.349	20	30		FEEDHM
Cc1nnc(-c2ccc(C(=O)Nc3ccc(-c4nn[n-]n4)c(C#N)c3)cc2)o1	ZINC000822505346	607019518	/nfs/dbraw/zinc/01/95/18/607019518.db2.gz	JNSYNKRSWFHRBE-UHFFFAOYSA-N	-1	3	372.348	2.349	20	30		FEEDHM
Cc1nc(-c2cccc(-c3nnn[n-]3)c2)nn1C[C@@H](O)c1ccc(C#N)cc1	ZINC000826322723	607869300	/nfs/dbraw/zinc/86/93/00/607869300.db2.gz	ZAIWNWPTFMDUQO-QGZVFWFLSA-N	-1	3	372.392	2.039	20	30		FEEDHM
Cc1nc(-c2cccc(-c3nn[n-]n3)c2)nn1C[C@@H](O)c1ccc(C#N)cc1	ZINC000826322723	607869301	/nfs/dbraw/zinc/86/93/01/607869301.db2.gz	ZAIWNWPTFMDUQO-QGZVFWFLSA-N	-1	3	372.392	2.039	20	30		FEEDHM
Cc1nn(C)cc1C=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1	ZINC000826334279	607888790	/nfs/dbraw/zinc/88/87/90/607888790.db2.gz	OTNJYPGYMFCZFI-UHFFFAOYSA-N	-1	3	350.308	2.373	20	30		FEEDHM
Cc1nn(C)cc1C=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1	ZINC000826334279	607888791	/nfs/dbraw/zinc/88/87/91/607888791.db2.gz	OTNJYPGYMFCZFI-UHFFFAOYSA-N	-1	3	350.308	2.373	20	30		FEEDHM
C#C[C@@H](Cc1ccccc1)OC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1	ZINC000823837520	608012022	/nfs/dbraw/zinc/01/20/22/608012022.db2.gz	DJPOMXKLRITPFV-HOCLYGCPSA-N	-1	3	362.389	2.422	20	30		FEEDHM
C#C[C@@H](Cc1ccccc1)OC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1	ZINC000823837520	608012023	/nfs/dbraw/zinc/01/20/23/608012023.db2.gz	DJPOMXKLRITPFV-HOCLYGCPSA-N	-1	3	362.389	2.422	20	30		FEEDHM
C#C[C@H](Cc1ccccc1)OC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1	ZINC000823837518	608012042	/nfs/dbraw/zinc/01/20/42/608012042.db2.gz	DJPOMXKLRITPFV-GDBMZVCRSA-N	-1	3	362.389	2.422	20	30		FEEDHM
C#C[C@H](Cc1ccccc1)OC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1	ZINC000823837518	608012043	/nfs/dbraw/zinc/01/20/43/608012043.db2.gz	DJPOMXKLRITPFV-GDBMZVCRSA-N	-1	3	362.389	2.422	20	30		FEEDHM
C=C(Br)CN1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1	ZINC000823874873	608071187	/nfs/dbraw/zinc/07/11/87/608071187.db2.gz	ZXTAXAQFAZTBIL-CYBMUJFWSA-N	-1	3	350.220	2.149	20	30		FEEDHM
C=C(Br)CN1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1	ZINC000823874873	608071188	/nfs/dbraw/zinc/07/11/88/608071188.db2.gz	ZXTAXAQFAZTBIL-CYBMUJFWSA-N	-1	3	350.220	2.149	20	30		FEEDHM
Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCO[C@H](c2cccc(C#N)c2)C1	ZINC000826245740	608084908	/nfs/dbraw/zinc/08/49/08/608084908.db2.gz	GKEMZAMRFYUJDM-SFHVURJKSA-N	-1	3	374.404	2.261	20	30		FEEDHM
Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCO[C@H](c2cccc(C#N)c2)C1	ZINC000826245740	608084909	/nfs/dbraw/zinc/08/49/09/608084909.db2.gz	GKEMZAMRFYUJDM-SFHVURJKSA-N	-1	3	374.404	2.261	20	30		FEEDHM
C[C@@]1(C#N)CCCN(CC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1	ZINC000824778441	608125841	/nfs/dbraw/zinc/12/58/41/608125841.db2.gz	OXVLJSXVMDEUGV-INIZCTEOSA-N	-1	3	359.821	2.084	20	30		FEEDHM
C[C@@]1(C#N)CCCN(CC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1	ZINC000824778441	608125842	/nfs/dbraw/zinc/12/58/42/608125842.db2.gz	OXVLJSXVMDEUGV-INIZCTEOSA-N	-1	3	359.821	2.084	20	30		FEEDHM
CCn1c2ccc(C#N)cc2nc1NC(=O)Cc1ccc(-c2nnn[n-]2)cc1	ZINC000825793421	608179430	/nfs/dbraw/zinc/17/94/30/608179430.db2.gz	UEXFSQMMYVIGSF-UHFFFAOYSA-N	-1	3	372.392	2.289	20	30		FEEDHM
CCn1c2ccc(C#N)cc2nc1NC(=O)Cc1ccc(-c2nn[n-]n2)cc1	ZINC000825793421	608179432	/nfs/dbraw/zinc/17/94/32/608179432.db2.gz	UEXFSQMMYVIGSF-UHFFFAOYSA-N	-1	3	372.392	2.289	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@H]1CCC[C@H]1OC	ZINC000823910212	608537800	/nfs/dbraw/zinc/53/78/00/608537800.db2.gz	ZATFWXYJFAYHRL-IAGOWNOFSA-N	-1	3	370.457	2.379	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@H]1CCC[C@H]1OC	ZINC000823910212	608537801	/nfs/dbraw/zinc/53/78/01/608537801.db2.gz	ZATFWXYJFAYHRL-IAGOWNOFSA-N	-1	3	370.457	2.379	20	30		FEEDHM
Cn1ncc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c1-c1ccccc1	ZINC000826366238	608546752	/nfs/dbraw/zinc/54/67/52/608546752.db2.gz	YRPGHBWCLJXRRN-UHFFFAOYSA-N	-1	3	370.376	2.391	20	30		FEEDHM
Cn1ncc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c1-c1ccccc1	ZINC000826366238	608546753	/nfs/dbraw/zinc/54/67/53/608546753.db2.gz	YRPGHBWCLJXRRN-UHFFFAOYSA-N	-1	3	370.376	2.391	20	30		FEEDHM
C#CCCCCCC(=O)O[C@@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O	ZINC000823840745	609135176	/nfs/dbraw/zinc/13/51/76/609135176.db2.gz	DGKUEMWUJXGANX-CYBMUJFWSA-N	-1	3	373.438	2.160	20	30		FEEDHM
C#CCCCCCC(=O)O[C@@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O	ZINC000823840745	609135178	/nfs/dbraw/zinc/13/51/78/609135178.db2.gz	DGKUEMWUJXGANX-CYBMUJFWSA-N	-1	3	373.438	2.160	20	30		FEEDHM
C#CCCCCCC(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1	ZINC000823841260	609163737	/nfs/dbraw/zinc/16/37/37/609163737.db2.gz	KPIBKSSVSMDQKI-KRWDZBQOSA-N	-1	3	353.426	2.350	20	30		FEEDHM
C#CCCCCCC(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1	ZINC000823841260	609163738	/nfs/dbraw/zinc/16/37/38/609163738.db2.gz	KPIBKSSVSMDQKI-KRWDZBQOSA-N	-1	3	353.426	2.350	20	30		FEEDHM
CC(=NNS(=O)(=O)c1ccc(C)cc1)c1ccc(-c2nnn[n-]2)cc1F	ZINC000823953758	609273592	/nfs/dbraw/zinc/27/35/92/609273592.db2.gz	ORAKRWBCCNNIDF-UHFFFAOYSA-N	-1	3	374.401	2.017	20	30		FEEDHM
CC(=NNS(=O)(=O)c1ccc(C)cc1)c1ccc(-c2nn[n-]n2)cc1F	ZINC000823953758	609273593	/nfs/dbraw/zinc/27/35/93/609273593.db2.gz	ORAKRWBCCNNIDF-UHFFFAOYSA-N	-1	3	374.401	2.017	20	30		FEEDHM
Cn1cc(C=Nn2cnc3ccccc32)c(-c2ccc(-c3nnn[n-]3)cc2)n1	ZINC000826360390	609305172	/nfs/dbraw/zinc/30/51/72/609305172.db2.gz	IVBCEAYSTRVTHR-UHFFFAOYSA-N	-1	3	369.392	2.499	20	30		FEEDHM
Cn1cc(C=Nn2cnc3ccccc32)c(-c2ccc(-c3nn[n-]n3)cc2)n1	ZINC000826360390	609305173	/nfs/dbraw/zinc/30/51/73/609305173.db2.gz	IVBCEAYSTRVTHR-UHFFFAOYSA-N	-1	3	369.392	2.499	20	30		FEEDHM
CCOC(=O)c1cnc(N=NC(C)c2ccc(-c3nnn[n-]3)s2)nc1C	ZINC000825565361	609305776	/nfs/dbraw/zinc/30/57/76/609305776.db2.gz	RYYLDVHHDHLEOP-UHFFFAOYSA-N	-1	3	372.414	2.039	20	30		FEEDHM
CC(=O)N1Cc2ccccc2C(=O)C(=Cc2cccc(-c3nnn[n-]3)c2)C1	ZINC000823975169	609405726	/nfs/dbraw/zinc/40/57/26/609405726.db2.gz	VGAGLBLPTOBSSC-LICLKQGHSA-N	-1	3	359.389	2.495	20	30		FEEDHM
CC(=O)N1Cc2ccccc2C(=O)C(=Cc2cccc(-c3nn[n-]n3)c2)C1	ZINC000823975169	609405729	/nfs/dbraw/zinc/40/57/29/609405729.db2.gz	VGAGLBLPTOBSSC-LICLKQGHSA-N	-1	3	359.389	2.495	20	30		FEEDHM
COCCOc1ccc(-c2nnn[n-]2)cc1NCc1ccc(C#N)cc1	ZINC000826162301	609486236	/nfs/dbraw/zinc/48/62/36/609486236.db2.gz	WINZSOIGOJULQB-UHFFFAOYSA-N	-1	3	350.382	2.376	20	30		FEEDHM
COCCOc1ccc(-c2nn[n-]n2)cc1NCc1ccc(C#N)cc1	ZINC000826162301	609486239	/nfs/dbraw/zinc/48/62/39/609486239.db2.gz	WINZSOIGOJULQB-UHFFFAOYSA-N	-1	3	350.382	2.376	20	30		FEEDHM
COc1ccc(O)cc1C(=O)C=Cc1cnc2ccc(-c3nnn[n-]3)cn12	ZINC000826210230	609507125	/nfs/dbraw/zinc/50/71/25/609507125.db2.gz	JQCAIXACAFLWEO-HWKANZROSA-N	-1	3	362.349	2.125	20	30		FEEDHM
COc1ccc(O)cc1C(=O)C=Cc1cnc2ccc(-c3nn[n-]n3)cn12	ZINC000826210230	609507126	/nfs/dbraw/zinc/50/71/26/609507126.db2.gz	JQCAIXACAFLWEO-HWKANZROSA-N	-1	3	362.349	2.125	20	30		FEEDHM
Cc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C	ZINC000826277451	609541775	/nfs/dbraw/zinc/54/17/75/609541775.db2.gz	VHZMCHTVAOURNQ-SFHVURJKSA-N	-1	3	370.413	2.375	20	30		FEEDHM
Cc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C	ZINC000826277451	609541778	/nfs/dbraw/zinc/54/17/78/609541778.db2.gz	VHZMCHTVAOURNQ-SFHVURJKSA-N	-1	3	370.413	2.375	20	30		FEEDHM
C[C@]1(C#N)CCCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1	ZINC000824779901	609600613	/nfs/dbraw/zinc/60/06/13/609600613.db2.gz	XVGCKJNTBSOBMI-QGZVFWFLSA-N	-1	3	364.369	2.453	20	30		FEEDHM
C[C@]1(C#N)CCCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1	ZINC000824779901	609600615	/nfs/dbraw/zinc/60/06/15/609600615.db2.gz	XVGCKJNTBSOBMI-QGZVFWFLSA-N	-1	3	364.369	2.453	20	30		FEEDHM
C#C[C@H]([N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])c1ccc(F)cc1	ZINC000812525697	674682596	/nfs/dbraw/zinc/68/25/96/674682596.db2.gz	KGGMBXSOGBIJBV-AWEZNQCLSA-N	-1	3	364.354	2.395	20	30		FEEDHM
C#CCONC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C	ZINC000812786624	674697863	/nfs/dbraw/zinc/69/78/63/674697863.db2.gz	PYWKHJVYQXSSGA-UHFFFAOYSA-N	-1	3	362.382	2.230	20	30		FEEDHM
C=C(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1ccc(Cl)c2nonc21	ZINC000814393350	674840718	/nfs/dbraw/zinc/84/07/18/674840718.db2.gz	ZRWBURJCKYJFBI-LKFCYVNXSA-N	-1	3	357.819	2.136	20	30		FEEDHM
Cc1nc(CSc2ccc(C(=O)N[C@@H]3CCN([O-])C3=O)cc2)cs1	ZINC000816691978	675073359	/nfs/dbraw/zinc/07/33/59/675073359.db2.gz	CYRVUJILDNYURO-CQSZACIVSA-N	-1	3	363.464	2.464	20	30		FEEDHM
O=C(N[C@H]1CCCN([O-])C1=O)c1cc(F)c(Br)cc1Cl	ZINC000816753992	675077779	/nfs/dbraw/zinc/07/77/79/675077779.db2.gz	UEPIPJOFCZCIFC-JTQLQIEISA-N	-1	3	365.586	2.352	20	30		FEEDHM
Cc1ccc(O[C@@H](C)C(=O)N[C@@H]2CCCN([O-])C2=O)c(Br)c1	ZINC000816759770	675078403	/nfs/dbraw/zinc/07/84/03/675078403.db2.gz	UQZBPBIEQXRGBF-CMPLNLGQSA-N	-1	3	371.231	2.021	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)Cc2ccc(C)o2)ccc1F	ZINC000045301467	670202589	/nfs/dbraw/zinc/20/25/89/670202589.db2.gz	BCDXCVVYRDMZGJ-UHFFFAOYSA-N	-1	3	366.414	2.464	20	30		FEEDHM
COC(=O)c1ccc(S(=O)(=O)[N-][C@@]2(C#N)CCC[C@H](C)C2)c(F)c1	ZINC000577160054	671420990	/nfs/dbraw/zinc/42/09/90/671420990.db2.gz	GSHQAAPUGPUOBK-ZBEGNZNMSA-N	-1	3	354.403	2.363	20	30		FEEDHM
COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@]2(C#N)CCC[C@@H](C)C2)c1	ZINC000130503071	672076034	/nfs/dbraw/zinc/07/60/34/672076034.db2.gz	PKOBWGKGIPBUSQ-BDJLRTHQSA-N	-1	3	354.403	2.363	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)NC[C@]2(C)CCCS2)ccc1F	ZINC000154020588	672208823	/nfs/dbraw/zinc/20/88/23/672208823.db2.gz	DIYZZGBWSZCUHI-INIZCTEOSA-N	-1	3	372.487	2.306	20	30		FEEDHM
C=CCOCC[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)OC	ZINC000611542028	676043287	/nfs/dbraw/zinc/04/32/87/676043287.db2.gz	DJBMIHXNAWOSHI-UHFFFAOYSA-N	-1	3	355.437	2.169	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)OCc2cnc(C)s2)ccc1F	ZINC000194263079	672753869	/nfs/dbraw/zinc/75/38/69/672753869.db2.gz	SOZBUKUDSICTOE-UHFFFAOYSA-N	-1	3	370.427	2.412	20	30		FEEDHM
CO[C@@H](CS(=O)(=O)[N-]c1ccc(Cl)c(C#N)c1)C1CCOCC1	ZINC000592350552	672789872	/nfs/dbraw/zinc/78/98/72/672789872.db2.gz	RIDVXRJKKZNSFY-HNNXBMFYSA-N	-1	3	358.847	2.395	20	30		FEEDHM
Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)N[C@@H]2CCO[C@H]2C)CCCC1	ZINC000328919634	673069468	/nfs/dbraw/zinc/06/94/68/673069468.db2.gz	ATHIXIBNPWWXBN-WCQYABFASA-N	-1	3	371.459	2.016	20	30		FEEDHM
C[C@](C#N)(NC(=O)COC(=O)c1cccc(Br)c1[O-])C1CC1	ZINC000730363699	673277865	/nfs/dbraw/zinc/27/78/65/673277865.db2.gz	CXYCCJCIUSUCFQ-OAHLLOKOSA-N	-1	3	367.199	2.120	20	30		FEEDHM
Cn1cc(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)c(=O)[nH]c1=O	ZINC000613392306	676127247	/nfs/dbraw/zinc/12/72/47/676127247.db2.gz	NSELKGFGLXNVCF-LLVKDONJSA-N	-1	3	352.375	2.099	20	30		FEEDHM
COc1ncc(C([O-])=C(C#N)C(=O)Nc2ccc(OC)c(Cl)c2)cn1	ZINC000734080217	673451457	/nfs/dbraw/zinc/45/14/57/673451457.db2.gz	MBYYQCUSVDIEPV-LLVKDONJSA-N	-1	3	360.757	2.108	20	30		FEEDHM
C=CC[C@H](CO)C[N-]S(=O)(=O)c1sc(C)cc1Br	ZINC000539219302	673478861	/nfs/dbraw/zinc/47/88/61/673478861.db2.gz	JRPPMTJMTPQESO-VIFPVBQESA-N	-1	3	354.291	2.282	20	30		FEEDHM
CC(C)[C@H](C#N)N1CCN(C(=O)c2cc([O-])cc(Br)c2)CC1	ZINC000599249102	673648280	/nfs/dbraw/zinc/64/82/80/673648280.db2.gz	QTVALIWPXKJIOX-HNNXBMFYSA-N	-1	3	366.259	2.461	20	30		FEEDHM
CC(C)CCN(C)C(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000742527775	673729622	/nfs/dbraw/zinc/72/96/22/673729622.db2.gz	MGGXXSUGSQVJOS-CYBMUJFWSA-N	-1	3	351.472	2.008	20	30		FEEDHM
C[C@H](CC(=O)NCCC1CCCC1)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000742520566	673729653	/nfs/dbraw/zinc/72/96/53/673729653.db2.gz	LHXDLDFVFFSRMW-CYBMUJFWSA-N	-1	3	363.483	2.200	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H](C)S[C@H](C)C2)ccc1F	ZINC000742773847	673737944	/nfs/dbraw/zinc/73/79/44/673737944.db2.gz	WRDYTWAUBWPENP-VXGBXAGGSA-N	-1	3	372.487	2.256	20	30		FEEDHM
N#CC1(C[N-]S(=O)(=O)Cc2ncsc2Br)CCC1	ZINC000601443262	673863337	/nfs/dbraw/zinc/86/33/37/673863337.db2.gz	AVNADDSPWBALEL-UHFFFAOYSA-N	-1	3	350.263	2.019	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(N)c2C)ccc1F	ZINC000746478969	673880859	/nfs/dbraw/zinc/88/08/59/673880859.db2.gz	HCRMOSIKROSIFD-UHFFFAOYSA-N	-1	3	363.414	2.433	20	30		FEEDHM
C[C@@H](CC(=O)N1C[C@@H](C)CC1(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000746654088	673888299	/nfs/dbraw/zinc/88/82/99/673888299.db2.gz	JRVAOTQBEUFWRV-STQMWFEESA-N	-1	3	363.483	2.151	20	30		FEEDHM
C=CCC1(C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)CCOCC1	ZINC000819534204	675296893	/nfs/dbraw/zinc/29/68/93/675296893.db2.gz	FHZUINXCYLVYMW-CYBMUJFWSA-N	-1	3	362.392	2.276	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)NOc2ccccc2)ccc1F	ZINC000820048838	675332893	/nfs/dbraw/zinc/33/28/93/675332893.db2.gz	IEVCEJQVNCDHEO-UHFFFAOYSA-N	-1	3	350.371	2.014	20	30		FEEDHM
O=C(N[C@H]1CCN([O-])C1=O)c1ccc(Cl)cc1NCC(F)(F)F	ZINC000820126852	675337890	/nfs/dbraw/zinc/33/78/90/675337890.db2.gz	HDXNAVAQKUQNML-VIFPVBQESA-N	-1	3	351.712	2.034	20	30		FEEDHM
CC(C)(Sc1ccc(Br)cc1)C(=O)N[C@@H]1CCN([O-])C1=O	ZINC000820155840	675339866	/nfs/dbraw/zinc/33/98/66/675339866.db2.gz	AHNBDVWZUQRACV-LLVKDONJSA-N	-1	3	373.272	2.426	20	30		FEEDHM
CC[C@H](Cc1ccccc1Br)C(=O)N[C@@H]1CCN([O-])C1=O	ZINC000820186567	675342255	/nfs/dbraw/zinc/34/22/55/675342255.db2.gz	ZKGFJCFYJFEERW-ZWNOBZJWSA-N	-1	3	355.232	2.124	20	30		FEEDHM
O=C(N[C@H]1CCCN([O-])C1=O)c1[nH]c2ccccc2c1Br	ZINC000820477523	675364950	/nfs/dbraw/zinc/36/49/50/675364950.db2.gz	ZMAADWNBTVRBQC-JTQLQIEISA-N	-1	3	352.188	2.040	20	30		FEEDHM
C[C@H](OC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21)c1ccc(F)cc1	ZINC000821692736	675445689	/nfs/dbraw/zinc/44/56/89/675445689.db2.gz	YMMBLRULDXSUKI-NSHDSACASA-N	-1	3	362.382	2.169	20	30		FEEDHM
C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CC[C@@](COC)(C(=O)[O-])C1	ZINC000635020572	677087674	/nfs/dbraw/zinc/08/76/74/677087674.db2.gz	ORWDLLYBHKKLOW-RDTXWAMCSA-N	-1	3	366.483	2.074	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CC23CCCC3)ccc1F	ZINC000760584500	680693683	/nfs/dbraw/zinc/69/36/83/680693683.db2.gz	RGIDRYHJDKBQJP-OAHLLOKOSA-N	-1	3	352.431	2.353	20	30		FEEDHM
CCOC(=O)[C@H]1CCC(=N[N-]S(=O)(=O)Cc2ccccc2)[C@@H](C)C1	ZINC000761261714	680717251	/nfs/dbraw/zinc/71/72/51/680717251.db2.gz	PFIUZXHWETURBS-ZFWWWQNUSA-N	-1	3	352.456	2.461	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)OCc2scnc2C)ccc1F	ZINC000761736170	680730544	/nfs/dbraw/zinc/73/05/44/680730544.db2.gz	QCARENZSXZOOHC-UHFFFAOYSA-N	-1	3	370.427	2.412	20	30		FEEDHM
C=CCOc1ccc(COC(=O)c2cc(S(=O)(=O)[N-]C)oc2C)cc1	ZINC000764845158	680822532	/nfs/dbraw/zinc/82/25/32/680822532.db2.gz	LYAHWHMFNZXSOO-UHFFFAOYSA-N	-1	3	365.407	2.418	20	30		FEEDHM
COc1c(F)cc(Br)cc1S(=O)(=O)[N-]C[C@H](C)C#N	ZINC000748651558	679984823	/nfs/dbraw/zinc/98/48/23/679984823.db2.gz	NIZIKIUVOGGARU-SSDOTTSWSA-N	-1	3	351.197	2.035	20	30		FEEDHM
CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N1CC[C@@H](C)C1	ZINC000750859591	680136394	/nfs/dbraw/zinc/13/63/94/680136394.db2.gz	QSKPQGDUVYAVHI-HIFRSBDPSA-N	-1	3	363.483	2.152	20	30		FEEDHM
C=CCC[C@H](CO)[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1	ZINC000832597580	680154335	/nfs/dbraw/zinc/15/43/35/680154335.db2.gz	SZVLCTOGPJWSKS-MRVPVSSYSA-N	-1	3	369.668	2.103	20	30		FEEDHM
CC(C)CSCCCOC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000751621037	680189978	/nfs/dbraw/zinc/18/99/78/680189978.db2.gz	YROJOOWUVRLIAD-UHFFFAOYSA-N	-1	3	370.496	2.048	20	30		FEEDHM
CCCC[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NCC1(C)CC1	ZINC000752722157	680255846	/nfs/dbraw/zinc/25/58/46/680255846.db2.gz	NPFUHQXUGZQTSC-CQSZACIVSA-N	-1	3	363.483	2.200	20	30		FEEDHM
CCN(CCC#N)C(=O)COC(=O)c1cc(Br)c(F)cc1[O-]	ZINC000837779359	680647947	/nfs/dbraw/zinc/64/79/47/680647947.db2.gz	BGPSFZPYLVMDCO-UHFFFAOYSA-N	-1	3	373.178	2.213	20	30		FEEDHM
C#CCCCOC(=O)c1c(Cl)ccc(S(=O)(=O)[N-]C)c1Cl	ZINC000766901026	680891985	/nfs/dbraw/zinc/89/19/85/680891985.db2.gz	IWTRZZSCPFKQOV-UHFFFAOYSA-N	-1	3	350.223	2.472	20	30		FEEDHM
C[C@H](CC(=O)N1CC[C@H](C)[C@@H](C)C1)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000767125100	680900252	/nfs/dbraw/zinc/90/02/52/680900252.db2.gz	BEQRUSJCAVYSET-MELADBBJSA-N	-1	3	363.483	2.008	20	30		FEEDHM
C#CCN(CC#CC)C(=O)c1c[n-]c2ccc(Br)cc2c1=O	ZINC000767947383	680933097	/nfs/dbraw/zinc/93/30/97/680933097.db2.gz	JGYMPQOTENGAJH-UHFFFAOYSA-N	-1	3	357.207	2.389	20	30		FEEDHM
CCC[C@@H](C#N)[N-]C(=O)C(F)(F)c1ccc(OCC(=O)N(C)C)cc1	ZINC000769437892	680982911	/nfs/dbraw/zinc/98/29/11/680982911.db2.gz	WUSDMVWGDNCHJE-ZDUSSCGKSA-N	-1	3	353.369	2.054	20	30		FEEDHM
C=CC[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccncc1	ZINC000769860235	680997569	/nfs/dbraw/zinc/99/75/69/680997569.db2.gz	VDVPWXBKHUWVCI-HNNXBMFYSA-N	-1	3	361.423	2.206	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2n[nH]cc2C2CC2)ccc1F	ZINC000843964704	681028862	/nfs/dbraw/zinc/02/88/62/681028862.db2.gz	GGOUAESLRYCPAF-UHFFFAOYSA-N	-1	3	364.402	2.143	20	30		FEEDHM
C#C[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Br)[C@H]1CCCO1	ZINC000773052100	681122779	/nfs/dbraw/zinc/12/27/79/681122779.db2.gz	OUPXBAODPZYUIK-VXGBXAGGSA-N	-1	3	362.220	2.047	20	30		FEEDHM
C=C(C)CO[N-]C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1	ZINC000846539762	681256062	/nfs/dbraw/zinc/25/60/62/681256062.db2.gz	NBNBLMRUOJFEJH-HNNXBMFYSA-N	-1	3	352.456	2.020	20	30		FEEDHM
C=C[C@H](C)O[N-]C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1	ZINC000846542999	681257430	/nfs/dbraw/zinc/25/74/30/681257430.db2.gz	FETFJUMEUNGHPK-WCQYABFASA-N	-1	3	358.485	2.080	20	30		FEEDHM
C=C[C@@H](C)O[N-]C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1	ZINC000846547598	681258110	/nfs/dbraw/zinc/25/81/10/681258110.db2.gz	BACDWRAIBNPYKN-HUUCEWRRSA-N	-1	3	352.456	2.018	20	30		FEEDHM
CC[C@H](C#N)N(C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1	ZINC000847168343	681339541	/nfs/dbraw/zinc/33/95/41/681339541.db2.gz	OMCQTTJZEFNZCC-GFCCVEGCSA-N	-1	3	355.435	2.277	20	30		FEEDHM
CSc1nc(NC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)n[n-]1	ZINC000847408453	681375243	/nfs/dbraw/zinc/37/52/43/681375243.db2.gz	WSBAREVDORKAKU-UHFFFAOYSA-N	-1	3	365.459	2.116	20	30		FEEDHM
COCCO[C@@H]1COCC[C@@H]1/N=C/c1cc(Br)ccc1[O-]	ZINC000776720986	681429984	/nfs/dbraw/zinc/42/99/84/681429984.db2.gz	BHBRXWKMLNQRAM-YTTRNUGISA-N	-1	3	358.232	2.394	20	30		FEEDHM
O=C(N[C@H]1CCCN([O-])C1=O)c1cnc(-c2c(F)cccc2F)s1	ZINC000848130132	681477491	/nfs/dbraw/zinc/47/74/91/681477491.db2.gz	FTTBEWJWLJJGBV-JTQLQIEISA-N	-1	3	353.350	2.198	20	30		FEEDHM
O=C(N[C@@H]1CCCN([O-])C1=O)c1cc(F)c(Br)c(Cl)c1	ZINC000848131944	681478090	/nfs/dbraw/zinc/47/80/90/681478090.db2.gz	FQHYYAFCSYTYIO-SECBINFHSA-N	-1	3	365.586	2.352	20	30		FEEDHM
CCc1cccc(NC(=O)C[N-]S(=O)(=O)Cc2csc(C#N)c2)c1	ZINC000914036045	685492476	/nfs/dbraw/zinc/49/24/76/685492476.db2.gz	WEGIPEHAFCXBKL-UHFFFAOYSA-N	-1	3	363.464	2.240	20	30		FEEDHM
COc1c(F)cc(Br)cc1S(=O)(=O)[N-]CC(C)(C)C#N	ZINC000781773608	681972090	/nfs/dbraw/zinc/97/20/90/681972090.db2.gz	ZKTVOIBWZYLOPU-UHFFFAOYSA-N	-1	3	365.224	2.425	20	30		FEEDHM
N#Cc1cnn2c1[nH]c(COC(=O)c1cc(Cl)c(Cl)[n-]1)cc2=O	ZINC000782628456	682065736	/nfs/dbraw/zinc/06/57/36/682065736.db2.gz	MQQORTXEMPRTAN-UHFFFAOYSA-N	-1	3	352.137	2.298	20	30		FEEDHM
C[C@H](CC(=O)OCCC1CCC1)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000783448504	682146051	/nfs/dbraw/zinc/14/60/51/682146051.db2.gz	OSPDETKZWLIGOS-GFCCVEGCSA-N	-1	3	350.440	2.237	20	30		FEEDHM
COc1c(F)cc(Br)cc1S(=O)(=O)[N-]CCCC#N	ZINC000784375475	682221284	/nfs/dbraw/zinc/22/12/84/682221284.db2.gz	ZDYXFKIDWJLLSV-UHFFFAOYSA-N	-1	3	351.197	2.179	20	30		FEEDHM
CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OCC(F)F	ZINC000918505641	685539702	/nfs/dbraw/zinc/53/97/02/685539702.db2.gz	DESPDGDRQUHDCB-NSHDSACASA-N	-1	3	360.382	2.092	20	30		FEEDHM
C=C[C@H]1CCCCN1C(=O)C[C@@H](C)[N-]S(=O)(=O)c1cccnc1Cl	ZINC000787682746	682472684	/nfs/dbraw/zinc/47/26/84/682472684.db2.gz	ZDNVBGMDPIMCFJ-OLZOCXBDSA-N	-1	3	371.890	2.359	20	30		FEEDHM
C#CCSc1ccc(COC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C)cc1	ZINC000788418578	682529102	/nfs/dbraw/zinc/52/91/02/682529102.db2.gz	VPGIIYFNYNBNLM-HNNXBMFYSA-N	-1	3	369.508	2.419	20	30		FEEDHM
CCC[C@H](C#N)[N-]S(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C	ZINC000788549178	682538262	/nfs/dbraw/zinc/53/82/62/682538262.db2.gz	SDEVGRZOJXQPRM-MRVPVSSYSA-N	-1	3	350.849	2.467	20	30		FEEDHM
O=C(Cc1c(Cl)cccc1Br)N[C@H]1CCCN([O-])C1=O	ZINC000854648672	682575115	/nfs/dbraw/zinc/57/51/15/682575115.db2.gz	HSGBYMRVMHYWGM-NSHDSACASA-N	-1	3	361.623	2.141	20	30		FEEDHM
Fc1cnc(N=NCc2c(Br)n[n-]c2Br)nc1	ZINC000793034447	682859271	/nfs/dbraw/zinc/85/92/71/682859271.db2.gz	NXUPZQNZBKSKME-UHFFFAOYSA-N	-1	3	363.976	2.310	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H]2CC[C@H](C)C2)ccc1F	ZINC000794254192	682949948	/nfs/dbraw/zinc/94/99/48/682949948.db2.gz	XLLYCJDCAQZQJA-QWHCGFSZSA-N	-1	3	354.447	2.456	20	30		FEEDHM
Cc1cc(C)n(C2N=NC(=S)N2N=Cc2c(F)ccc([O-])c2F)n1	ZINC000794488684	682972950	/nfs/dbraw/zinc/97/29/50/682972950.db2.gz	RHFSGNNISDNPDC-UHFFFAOYSA-N	-1	3	350.354	2.235	20	30		FEEDHM
CC1=C(C)CN(C(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)CC1	ZINC000796468810	683163875	/nfs/dbraw/zinc/16/38/75/683163875.db2.gz	ZAGNSQDDLMUZDV-CQSZACIVSA-N	-1	3	361.467	2.072	20	30		FEEDHM
CC[C@@H]1C[C@H]1NC(=O)[C@@H](CC(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000798094615	683307529	/nfs/dbraw/zinc/30/75/29/683307529.db2.gz	URJMHOIMMSFTGG-BPLDGKMQSA-N	-1	3	363.483	2.055	20	30		FEEDHM
C#CC[C@@H](COC)OC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1	ZINC000861281486	683381114	/nfs/dbraw/zinc/38/11/14/683381114.db2.gz	FKMAOWQMQWDYQK-ZDUSSCGKSA-N	-1	3	371.430	2.098	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H](CC=C)C2)ccc1F	ZINC000862542359	683599982	/nfs/dbraw/zinc/59/99/82/683599982.db2.gz	NAVATLBHYLPPJD-CYBMUJFWSA-N	-1	3	352.431	2.328	20	30		FEEDHM
C#CCOc1cccc(Cl)c1CNCc1nc2c(c(=O)[n-]1)COCC2	ZINC000865867156	684038699	/nfs/dbraw/zinc/03/86/99/684038699.db2.gz	YOTVKBNPRYRNTH-UHFFFAOYSA-N	-1	3	359.813	2.210	20	30		FEEDHM
C#C[C@@H](C)NC(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21	ZINC000868514687	684504341	/nfs/dbraw/zinc/50/43/41/684504341.db2.gz	QQNKBFTWYZRJKL-VXGBXAGGSA-N	-1	3	353.344	2.390	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@@H]2CCC[C@@H]2C#N)ccc1F	ZINC000870673816	684743643	/nfs/dbraw/zinc/74/36/43/684743643.db2.gz	FQQNXAIBGKQNHK-UKRRQHHQSA-N	-1	3	365.430	2.054	20	30		FEEDHM
Cc1cccc(C#N)c1S(=O)(=O)[N-][C@@H](c1cnn(C)c1)C(F)(F)F	ZINC000872479720	684960690	/nfs/dbraw/zinc/96/06/90/684960690.db2.gz	OYCMGWIVCYNIKX-ZDUSSCGKSA-N	-1	3	358.345	2.182	20	30		FEEDHM
C=C(C)C[C@H](CO)[N-]S(=O)(=O)c1cc(F)ccc1Br	ZINC000882848102	687512822	/nfs/dbraw/zinc/51/28/22/687512822.db2.gz	ZEMABIPDUHANPX-SNVBAGLBSA-N	-1	3	352.225	2.194	20	30		FEEDHM
C=CC[C@@H]1CCN1C(=O)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F	ZINC000890558458	688937049	/nfs/dbraw/zinc/93/70/49/688937049.db2.gz	RWCATTUPDGDRBE-LLVKDONJSA-N	-1	3	356.394	2.196	20	30		FEEDHM
C#C[C@@H]1CCCCN1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1	ZINC000890647946	688950980	/nfs/dbraw/zinc/95/09/80/688950980.db2.gz	PGWWHTBYUHPCTH-CQSZACIVSA-N	-1	3	352.431	2.140	20	30		FEEDHM
C[C@@H](CC(=O)NC1CCC=CCC1)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000899804559	690423543	/nfs/dbraw/zinc/42/35/43/690423543.db2.gz	QDJCCSMEIHHHMM-ZDUSSCGKSA-N	-1	3	361.467	2.119	20	30		FEEDHM
CS(=O)(=O)N1CCCC[C@H]1C(=O)N([O-])Cc1cccc2ccccc21	ZINC000901371435	690641106	/nfs/dbraw/zinc/64/11/06/690641106.db2.gz	UKJJMLDAOARCKO-KRWDZBQOSA-N	-1	3	362.451	2.372	20	30		FEEDHM
CCNS(=O)(=O)c1ccc(CC(=O)N([O-])Cc2ccc(F)cc2)cc1	ZINC000901372836	690641121	/nfs/dbraw/zinc/64/11/21/690641121.db2.gz	NOKYQLJMVBDPRE-UHFFFAOYSA-N	-1	3	366.414	2.084	20	30		FEEDHM
O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)N([O-])Cc1ccccc1Cl	ZINC000904187864	691011029	/nfs/dbraw/zinc/01/10/29/691011029.db2.gz	VJGPLBAGAYYABS-BETUJISGSA-N	-1	3	350.802	2.233	20	30		FEEDHM
C=C(Cl)C[C@H](NC(=O)N[C@@H]1CCN(Cc2ccccc2)C1)C(=O)[O-]	ZINC000908756676	691724605	/nfs/dbraw/zinc/72/46/05/691724605.db2.gz	LBLYPPQLDGHNNK-CABCVRRESA-N	-1	3	351.834	2.156	20	30		FEEDHM
COc1cc(C#N)ccc1OCC(=O)c1ccc([N-]S(C)(=O)=O)cc1	ZINC000007025795	539445147	/nfs/dbraw/zinc/44/51/47/539445147.db2.gz	OOLRZUBMXPXDRR-UHFFFAOYSA-N	-1	3	360.391	2.200	20	30		FEEDHM
C#CCNC(=O)c1cc(S(=O)(=O)[N-]CC(C)C)c(Cl)cc1Cl	ZINC000098071428	210099390	/nfs/dbraw/zinc/09/93/90/210099390.db2.gz	QQZGSYVCRWKKTB-UHFFFAOYSA-N	-1	3	363.266	2.291	20	30		FEEDHM
CC(C)Oc1cc(Br)cc(C(=O)N[C@H]2CCCN([O-])C2=O)c1	ZINC000820471102	675364333	/nfs/dbraw/zinc/36/43/33/675364333.db2.gz	NHPZXDOKLVCSRY-ZDUSSCGKSA-N	-1	3	371.231	2.346	20	30		FEEDHM
Cc1cc([N-]C(=O)[C@H](C)N2CCN(c3cccc(F)c3C#N)CC2)on1	ZINC000029859102	539866963	/nfs/dbraw/zinc/86/69/63/539866963.db2.gz	UUHYNDRMFPTRSC-ZDUSSCGKSA-N	-1	3	357.389	2.143	20	30		FEEDHM
C=CCN(Cc1cccc(C#N)c1)C(=O)CCc1c(C)nc(C)[n-]c1=O	ZINC000062903369	541154679	/nfs/dbraw/zinc/15/46/79/541154679.db2.gz	MBWVERBUOCIMPI-UHFFFAOYSA-N	-1	3	350.422	2.406	20	30		FEEDHM
CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(-n3cncn3)cc2)n1	ZINC000067896301	541526227	/nfs/dbraw/zinc/52/62/27/541526227.db2.gz	ZCEDFVDGGIOUCA-CYBMUJFWSA-N	-1	3	367.390	2.391	20	30		FEEDHM
CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1ccc2c(c1[O-])CCCC2	ZINC000544547036	541785353	/nfs/dbraw/zinc/78/53/53/541785353.db2.gz	HIDWIOFCXWROSZ-UHFFFAOYSA-N	-1	3	353.426	2.153	20	30		FEEDHM
CSc1[n-]c(=O)c(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1C#N	ZINC000079134679	542503091	/nfs/dbraw/zinc/50/30/91/542503091.db2.gz	ZVHVHADYIAZGEH-OAHLLOKOSA-N	-1	3	368.462	2.385	20	30		FEEDHM
C[C@@H](C(=O)Nc1nnc(C(F)(F)F)[n-]1)n1nnc(-c2ccccc2)n1	ZINC000079700746	542537600	/nfs/dbraw/zinc/53/76/00/542537600.db2.gz	SAZFQKUVMXHDRU-ZETCQYMHSA-N	-1	3	352.280	2.326	20	30		FEEDHM
C[C@@H](C(=O)Nc1nc(C(F)(F)F)n[n-]1)n1nnc(-c2ccccc2)n1	ZINC000079700746	542537603	/nfs/dbraw/zinc/53/76/03/542537603.db2.gz	SAZFQKUVMXHDRU-ZETCQYMHSA-N	-1	3	352.280	2.326	20	30		FEEDHM
C=CCSc1ccccc1NC(=O)Cn1cc(Cl)c(=O)[n-]c1=O	ZINC000085252784	542724441	/nfs/dbraw/zinc/72/44/41/542724441.db2.gz	GTLFTBZIJTUJSB-UHFFFAOYSA-N	-1	3	351.815	2.107	20	30		FEEDHM
C[C@H](CC#N)[N-]S(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1	ZINC000092301595	542855405	/nfs/dbraw/zinc/85/54/05/542855405.db2.gz	WBUMRAITYWKKSG-LLVKDONJSA-N	-1	3	357.501	2.033	20	30		FEEDHM
C=CCN(Cc1cc(Br)ccc1[O-])[C@H]1CCS(=O)(=O)C1	ZINC000092360942	542859749	/nfs/dbraw/zinc/85/97/49/542859749.db2.gz	FHBPHVWBNUNPOG-ZDUSSCGKSA-N	-1	3	360.273	2.330	20	30		FEEDHM
CN(C)Cc1ccc(C[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)cc1	ZINC000092980640	542899740	/nfs/dbraw/zinc/89/97/40/542899740.db2.gz	GDMLTTVBLUPGBR-UHFFFAOYSA-N	-1	3	365.405	2.377	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@]1(C#N)CCC[C@@H](C)C1	ZINC000116812592	543616999	/nfs/dbraw/zinc/61/69/99/543616999.db2.gz	DMIKWUKJEHSFLH-IIYDPXPESA-N	-1	3	367.446	2.081	20	30		FEEDHM
C=CC[C@H](C)NC(=O)c1cc(C2CC2)nc2c1c(=O)[n-]c(=O)n2CCC	ZINC000116862149	543618261	/nfs/dbraw/zinc/61/82/61/543618261.db2.gz	PKLCGVNHLABHHR-NSHDSACASA-N	-1	3	356.426	2.067	20	30		FEEDHM
Cn1cc(C(N)=O)cc1C([O-])=C(C#N)c1nc(-c2ccncc2)cs1	ZINC000120721954	543683508	/nfs/dbraw/zinc/68/35/08/543683508.db2.gz	WKFLLPDLQHMSPR-LBPRGKRZSA-N	-1	3	351.391	2.133	20	30		FEEDHM
C=C(C)C[N-]S(=O)(=O)c1ccc(C(=O)OCC)cc1Br	ZINC000119186569	543665239	/nfs/dbraw/zinc/66/52/39/543665239.db2.gz	ZKZDDIRDZFNBJZ-UHFFFAOYSA-N	-1	3	362.245	2.480	20	30		FEEDHM
CN(C)c1nc(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)cs1	ZINC000124381344	543818079	/nfs/dbraw/zinc/81/80/79/543818079.db2.gz	JNAZIGWKWPEWRZ-UHFFFAOYSA-N	-1	3	356.860	2.213	20	30		FEEDHM
Cc1cccc2nc(C[N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3C#N)[nH]c21	ZINC000130066609	544137618	/nfs/dbraw/zinc/13/76/18/544137618.db2.gz	FDIQRROFJFUNKD-UHFFFAOYSA-N	-1	3	371.378	2.130	20	30		FEEDHM
CC(C)[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)C(=O)OC(C)(C)C	ZINC000132640030	544238972	/nfs/dbraw/zinc/23/89/72/544238972.db2.gz	FKBPTJRDKLBHOC-AWEZNQCLSA-N	-1	3	356.419	2.342	20	30		FEEDHM
C=CCN(C)C(=O)c1c[n-]c2ccc(I)cc2c1=O	ZINC000152904786	544710086	/nfs/dbraw/zinc/71/00/86/544710086.db2.gz	CGGOKJJFGSLNEM-UHFFFAOYSA-N	-1	3	368.174	2.391	20	30		FEEDHM
C=CCCOCCNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1	ZINC000155055434	544981898	/nfs/dbraw/zinc/98/18/98/544981898.db2.gz	RADWFDGLRCHSJA-UHFFFAOYSA-N	-1	3	372.462	2.225	20	30		FEEDHM
CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OCCCCF	ZINC000803221153	674228982	/nfs/dbraw/zinc/22/89/82/674228982.db2.gz	OLSPJSWPOHFDPX-AWEZNQCLSA-N	-1	3	370.446	2.433	20	30		FEEDHM
N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CCCOC[C@@H]2CCCO2)c1	ZINC000186144053	327948952	/nfs/dbraw/zinc/94/89/52/327948952.db2.gz	SNYYLVJFSCIXIR-ZDUSSCGKSA-N	-1	3	358.847	2.076	20	30		FEEDHM
CCn1ccnc1[C@H]1OCCC[C@@H]1[N-]S(=O)(=O)Cc1cccc(C#N)c1	ZINC000189202893	328134602	/nfs/dbraw/zinc/13/46/02/328134602.db2.gz	QVHREEJTZMOWIY-IRXDYDNUSA-N	-1	3	374.466	2.114	20	30		FEEDHM
N#Cc1cccc(NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)c1	ZINC000059337503	324846476	/nfs/dbraw/zinc/84/64/76/324846476.db2.gz	KPYZNYCDFQRUPT-UHFFFAOYSA-N	-1	3	350.378	2.254	20	30		FEEDHM
N#Cc1ccc(OCCN2CCN(C(=O)c3ccccc3[O-])CC2)cc1	ZINC000080929686	325148696	/nfs/dbraw/zinc/14/86/96/325148696.db2.gz	BUKXEKDDSJAHGR-UHFFFAOYSA-N	-1	3	351.406	2.101	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCOc2cc(F)ccc21	ZINC000118279839	326086945	/nfs/dbraw/zinc/08/69/45/326086945.db2.gz	KXULJYJTDOKQSE-UHFFFAOYSA-N	-1	3	355.369	2.361	20	30		FEEDHM
COC(=O)Cc1cccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1	ZINC000119782714	326197765	/nfs/dbraw/zinc/19/77/65/326197765.db2.gz	AVHXNKXBRZJXDU-UHFFFAOYSA-N	-1	3	367.405	2.150	20	30		FEEDHM
CN(C)[C@@H](C[N-]S(=O)(=O)Cc1cc(C#N)ccc1F)c1ccco1	ZINC000120419506	326257438	/nfs/dbraw/zinc/25/74/38/326257438.db2.gz	SKLMBQSNJPLTRO-HNNXBMFYSA-N	-1	3	351.403	2.013	20	30		FEEDHM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]CCC[C@H]1CCCC[C@H]1O	ZINC000127877762	326514102	/nfs/dbraw/zinc/51/41/02/326514102.db2.gz	ZKOYIASDTIFRSS-IUODEOHRSA-N	-1	3	367.427	2.076	20	30		FEEDHM
N#Cc1cc(F)ccc1S(=O)(=O)[N-]CCOc1ccc(F)c(F)c1	ZINC000157315144	326861838	/nfs/dbraw/zinc/86/18/38/326861838.db2.gz	WYEWMFQISXMELD-UHFFFAOYSA-N	-1	3	356.325	2.333	20	30		FEEDHM
COC(=O)[C@@H]1CC12CCN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)CC2	ZINC000265086694	329089259	/nfs/dbraw/zinc/08/92/59/329089259.db2.gz	SWMJFKJCCWIVOU-INIZCTEOSA-N	-1	3	371.437	2.010	20	30		FEEDHM
CCC(CC)(CC(=O)OC)NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C	ZINC000267254371	329307728	/nfs/dbraw/zinc/30/77/28/329307728.db2.gz	DUSDBWNBZVUYLF-UHFFFAOYSA-N	-1	3	361.442	2.446	20	30		FEEDHM
C#CCN(Cc1ccccc1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000804836715	674302876	/nfs/dbraw/zinc/30/28/76/674302876.db2.gz	RURDFGHWTRQINV-UHFFFAOYSA-N	-1	3	358.419	2.039	20	30		FEEDHM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C[C@H]1CCc2ccccc21	ZINC000157447976	545743386	/nfs/dbraw/zinc/74/33/86/545743386.db2.gz	JJNVYMPHYXLEKA-CYBMUJFWSA-N	-1	3	357.391	2.475	20	30		FEEDHM
C[C@@H](C#N)[N-]S(=O)(=O)c1ccc(Br)cc1Br	ZINC000160599427	546055707	/nfs/dbraw/zinc/05/57/07/546055707.db2.gz	SZTJFRKDETXBIX-LURJTMIESA-N	-1	3	368.050	2.402	20	30		FEEDHM
C=C(C)CNC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCCO2)c1	ZINC000161053023	546095841	/nfs/dbraw/zinc/09/58/41/546095841.db2.gz	KLNXCPNWKDGVLU-ZDUSSCGKSA-N	-1	3	372.874	2.103	20	30		FEEDHM
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C#N)C1CCCCC1	ZINC000161157005	546104787	/nfs/dbraw/zinc/10/47/87/546104787.db2.gz	ICOYXBFEYWVGKP-ZDUSSCGKSA-N	-1	3	353.400	2.354	20	30		FEEDHM
C[C@H](C#N)NC(=O)c1sccc1S(=O)(=O)[N-]C1CCCCCC1	ZINC000161385852	546126105	/nfs/dbraw/zinc/12/61/05/546126105.db2.gz	ZJERCWLYOVRWDP-LLVKDONJSA-N	-1	3	355.485	2.391	20	30		FEEDHM
N#CCCCCS(=O)(=O)[N-][C@H]1CCN(c2cccc(Cl)c2)C1=O	ZINC000175661575	546329552	/nfs/dbraw/zinc/32/95/52/546329552.db2.gz	YNUFYZZGTAVTDP-AWEZNQCLSA-N	-1	3	355.847	2.059	20	30		FEEDHM
COc1ccc(C#N)cc1NC(=O)NCCCNC(=O)c1cccc([O-])c1	ZINC000480638411	561213474	/nfs/dbraw/zinc/21/34/74/561213474.db2.gz	QTFKHKQCSBCKBU-UHFFFAOYSA-N	-1	3	368.393	2.214	20	30		FEEDHM
N#Cc1cccc(OCCN2CCN(C(=O)c3ccc([O-])cc3)CC2)c1	ZINC000177179225	546562961	/nfs/dbraw/zinc/56/29/61/546562961.db2.gz	IIIAZYOIWCMDCQ-UHFFFAOYSA-N	-1	3	351.406	2.101	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1CCCO[C@@H]1C(C)C	ZINC000177964294	546713675	/nfs/dbraw/zinc/71/36/75/546713675.db2.gz	OZDYCUAZGWYPDV-HNAYVOBHSA-N	-1	3	359.470	2.363	20	30		FEEDHM
Cc1c(C#N)cccc1NC(=O)CNC(=O)c1c[n-]c2ccccc2c1=O	ZINC000178769403	546846830	/nfs/dbraw/zinc/84/68/30/546846830.db2.gz	CEJRXMOOAZSKSV-UHFFFAOYSA-N	-1	3	360.373	2.489	20	30		FEEDHM
COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@@H](C#N)C1CCCCC1	ZINC000179237675	546918428	/nfs/dbraw/zinc/91/84/28/546918428.db2.gz	WIROCRJJKHAXPZ-ZDUSSCGKSA-N	-1	3	354.428	2.434	20	30		FEEDHM
C=CCc1ccc(OCC(=O)NCc2nnc(C(F)(F)F)[n-]2)c(OC)c1	ZINC000481901390	561245110	/nfs/dbraw/zinc/24/51/10/561245110.db2.gz	FHAOOUASBYLWKE-UHFFFAOYSA-N	-1	3	370.331	2.256	20	30		FEEDHM
C=CCc1ccc(OCC(=O)NCc2n[n-]c(C(F)(F)F)n2)c(OC)c1	ZINC000481901390	561245111	/nfs/dbraw/zinc/24/51/11/561245111.db2.gz	FHAOOUASBYLWKE-UHFFFAOYSA-N	-1	3	370.331	2.256	20	30		FEEDHM
C=CCc1ccc(OCC(=O)NCc2nc(C(F)(F)F)n[n-]2)c(OC)c1	ZINC000481901390	561245112	/nfs/dbraw/zinc/24/51/12/561245112.db2.gz	FHAOOUASBYLWKE-UHFFFAOYSA-N	-1	3	370.331	2.256	20	30		FEEDHM
CCOc1cc([N-]C(=O)c2cnn(C)c2C#N)c([N+](=O)[O-])cc1OCC	ZINC000483150571	561268850	/nfs/dbraw/zinc/26/88/50/561268850.db2.gz	COKWNIFNGNBPBE-UHFFFAOYSA-N	-1	3	359.342	2.250	20	30		FEEDHM
COC(=O)c1cccc(CS(=O)(=O)[N-][C@@]2(C#N)CCC[C@H](C)C2)c1	ZINC000182013020	547422261	/nfs/dbraw/zinc/42/22/61/547422261.db2.gz	KAILQNRUPKHMBB-GUYCJALGSA-N	-1	3	350.440	2.365	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]CCCOC[C@@H]2CCCO2)c(Cl)c1	ZINC000183431229	547658156	/nfs/dbraw/zinc/65/81/56/547658156.db2.gz	DOGDNDYAGKQVRK-ZDUSSCGKSA-N	-1	3	358.847	2.076	20	30		FEEDHM
CC[C@H](CC#N)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1	ZINC000183958390	547745236	/nfs/dbraw/zinc/74/52/36/547745236.db2.gz	DIGCVCNNGPTTSM-GFCCVEGCSA-N	-1	3	355.435	2.325	20	30		FEEDHM
Cc1nccn1CCCC[N-]S(=O)(=O)c1cc(C#N)ccc1Cl	ZINC000184918268	547900242	/nfs/dbraw/zinc/90/02/42/547900242.db2.gz	BGRQPJVQNLUFAO-UHFFFAOYSA-N	-1	3	352.847	2.475	20	30		FEEDHM
C[C@]1(c2cccc(NC(=O)c3cccc(F)c3C#N)c2)NC(=O)[N-]C1=O	ZINC000186911879	548216608	/nfs/dbraw/zinc/21/66/08/548216608.db2.gz	INZQEFACKTYISF-GOSISDBHSA-N	-1	3	352.325	2.004	20	30		FEEDHM
C=CCN1CCC([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])CC1	ZINC000189952498	548315128	/nfs/dbraw/zinc/31/51/28/548315128.db2.gz	PNFXLCNDXHXKOC-UHFFFAOYSA-N	-1	3	353.444	2.140	20	30		FEEDHM
COCCOc1ccc(F)cc1S(=O)(=O)[N-]C1(C#N)CCCCC1	ZINC000191001719	548338609	/nfs/dbraw/zinc/33/86/09/548338609.db2.gz	VVYRCNOKTWQEMX-UHFFFAOYSA-N	-1	3	356.419	2.356	20	30		FEEDHM
COc1ccc([N+](=O)[O-])cc1C[N-]S(=O)(=O)c1ccc(C#N)c(F)c1	ZINC000489100826	561403246	/nfs/dbraw/zinc/40/32/46/561403246.db2.gz	JKYZMPKFVFHMBO-UHFFFAOYSA-N	-1	3	365.342	2.093	20	30		FEEDHM
C[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)N(C)C1CC1	ZINC000263941531	549957816	/nfs/dbraw/zinc/95/78/16/549957816.db2.gz	QLHAULMGOZFISP-JTQLQIEISA-N	-1	3	361.389	2.338	20	30		FEEDHM
CCCn1c(=O)[n-]c(=O)c2c(C(=O)N[C@H](C#N)C(C)C)cc(C3CC3)nc21	ZINC000264701936	549999736	/nfs/dbraw/zinc/99/97/36/549999736.db2.gz	COINGUIRLVICEI-CQSZACIVSA-N	-1	3	369.425	2.062	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)NCC2CCSCC2)ccc1F	ZINC000264937776	550004295	/nfs/dbraw/zinc/00/42/95/550004295.db2.gz	RWVMQXLSXOVBTQ-UHFFFAOYSA-N	-1	3	372.487	2.163	20	30		FEEDHM
Cc1cc(-c2noc([C@@H](C)[N-]S(=O)(=O)CCCC#N)n2)ccc1F	ZINC000268440314	550065789	/nfs/dbraw/zinc/06/57/89/550065789.db2.gz	CROVOOOLBYKSBG-LLVKDONJSA-N	-1	3	352.391	2.468	20	30		FEEDHM
N#CCCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br	ZINC000269455319	550197911	/nfs/dbraw/zinc/19/79/11/550197911.db2.gz	DZFANHFLRIKWGP-UHFFFAOYSA-N	-1	3	362.205	2.329	20	30		FEEDHM
N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@H]1CCOC2(CCSCC2)C1	ZINC000269720494	550219928	/nfs/dbraw/zinc/21/99/28/550219928.db2.gz	UJMZZLOUHNIMOY-AWEZNQCLSA-N	-1	3	370.471	2.420	20	30		FEEDHM
COc1cc(C(=O)N2CCN(c3ccccc3C#N)CC2)cc(OC)c1[O-]	ZINC000270731485	550301501	/nfs/dbraw/zinc/30/15/01/550301501.db2.gz	UPHJHTUDKRMQMS-UHFFFAOYSA-N	-1	3	367.405	2.243	20	30		FEEDHM
CC(C)Cn1c(=O)[n-]c(=O)c2c(C(=O)NCCCC#N)cc(C(C)C)nc21	ZINC000273125993	550486037	/nfs/dbraw/zinc/48/60/37/550486037.db2.gz	SFCPVFAIMNYTCD-UHFFFAOYSA-N	-1	3	371.441	2.310	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@](C)(C#N)C(C)(C)C)ccc1F	ZINC000274303197	550531769	/nfs/dbraw/zinc/53/17/69/550531769.db2.gz	GPRVJGOWBKPHEB-KRWDZBQOSA-N	-1	3	367.446	2.348	20	30		FEEDHM
Cc1ccccc1CN1CCC([N-]S(=O)(=O)c2cccnc2C#N)CC1	ZINC000276984150	550618217	/nfs/dbraw/zinc/61/82/17/550618217.db2.gz	HKEIAQNBRBTYHQ-UHFFFAOYSA-N	-1	3	370.478	2.205	20	30		FEEDHM
CC(C)(CO)[C@H](C[N-]S(=O)(=O)c1cccnc1C#N)c1ccccc1	ZINC000277154089	550637848	/nfs/dbraw/zinc/63/78/48/550637848.db2.gz	LDHDTNLATDCPGI-OAHLLOKOSA-N	-1	3	359.451	2.034	20	30		FEEDHM
C=CC[C@H](CO)[N-]S(=O)(=O)c1cc(Cl)ccc1Br	ZINC000281726687	551135505	/nfs/dbraw/zinc/13/55/05/551135505.db2.gz	QVJCRLNXTLSPNX-SECBINFHSA-N	-1	3	354.653	2.318	20	30		FEEDHM
C=CCN1CC[C@@H](N(C)C(=O)c2c[n-]c3c(C)cc(C)cc3c2=O)C1=O	ZINC000281927898	551159180	/nfs/dbraw/zinc/15/91/80/551159180.db2.gz	HUCXAALGQVVVIZ-MRXNPFEDSA-N	-1	3	353.422	2.416	20	30		FEEDHM
Cc1ncc(CO)c(/C=N/[C@@H]2CCN(C(=O)Nc3ccccc3)C2)c1[O-]	ZINC000282617324	551252494	/nfs/dbraw/zinc/25/24/94/551252494.db2.gz	NYMFRTLXSMUOPA-PPAWOMOGSA-N	-1	3	354.410	2.313	20	30		FEEDHM
CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)[C@H](O)C(F)(F)F	ZINC000497978506	561512991	/nfs/dbraw/zinc/51/29/91/561512991.db2.gz	JYKSKHTUBQDERO-KOLCDFICSA-N	-1	3	356.753	2.192	20	30		FEEDHM
Cc1noc(C(C)(C)[N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)n1	ZINC000284777053	551630595	/nfs/dbraw/zinc/63/05/95/551630595.db2.gz	WLCXRQLCDHBYAX-UHFFFAOYSA-N	-1	3	374.344	2.482	20	30		FEEDHM
Cc1csc([N-]C(=O)c2cc(S(=O)(=O)N(C)C)oc2C)c1C#N	ZINC000288684782	552197800	/nfs/dbraw/zinc/19/78/00/552197800.db2.gz	CHKKWRHMZQAWFG-UHFFFAOYSA-N	-1	3	353.425	2.332	20	30		FEEDHM
C=C[C@](C)(CCOC)c1nc(-c2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)no1	ZINC000288968928	552245188	/nfs/dbraw/zinc/24/51/88/552245188.db2.gz	QMJFMIXCUMFDJI-MOPGFXCFSA-N	-1	3	370.409	2.271	20	30		FEEDHM
Cn1c2ccc(C[N-]S(=O)(=O)c3cccnc3C#N)cc2nc1C1CC1	ZINC000289115943	552268529	/nfs/dbraw/zinc/26/85/29/552268529.db2.gz	IFCOHBHSVBYBNH-UHFFFAOYSA-N	-1	3	367.434	2.196	20	30		FEEDHM
Cc1onc(CC(=O)NCc2ccc([O-])c(Br)c2)c1C#N	ZINC000500317785	561570078	/nfs/dbraw/zinc/57/00/78/561570078.db2.gz	RGBWXXKWRIPPDJ-UHFFFAOYSA-N	-1	3	350.172	2.182	20	30		FEEDHM
C=C(C)[C@H]1OCC[C@H]1c1nc(-c2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)no1	ZINC000290296036	552455940	/nfs/dbraw/zinc/45/59/40/552455940.db2.gz	ZRHKYSGQMKOPEN-PJIJBLCYSA-N	-1	3	368.393	2.240	20	30		FEEDHM
N#Cc1cc(F)ccc1S(=O)(=O)[N-]C[C@@]1(CO)C[C@@H]1c1ccccc1	ZINC000290305026	552457188	/nfs/dbraw/zinc/45/71/88/552457188.db2.gz	XTKHHALNNDOBHK-SJLPKXTDSA-N	-1	3	360.410	2.142	20	30		FEEDHM
CCCC[C@H](ON=C(C)C)C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C	ZINC000291519761	552633352	/nfs/dbraw/zinc/63/33/52/552633352.db2.gz	JNPRUWKWSZCTPU-INIZCTEOSA-N	-1	3	362.430	2.492	20	30		FEEDHM
CCc1ccc([C@@H](C#N)NC(=O)c2cc(S(=O)(=O)[N-]C)oc2C)cc1	ZINC000293143530	552792705	/nfs/dbraw/zinc/79/27/05/552792705.db2.gz	BQLXQCTUPCKQBY-OAHLLOKOSA-N	-1	3	361.423	2.053	20	30		FEEDHM
CC(C)C[C@@H]([N-]S(=O)(=O)CC(C)(C)CC#N)C(=O)Nc1nccs1	ZINC000295233740	552973492	/nfs/dbraw/zinc/97/34/92/552973492.db2.gz	XFPSRGYUMSOSMX-GFCCVEGCSA-N	-1	3	372.516	2.356	20	30		FEEDHM
CCOc1cc(CN2CCN(CC#N)CC2)cc(Br)c1[O-]	ZINC000297965716	553363661	/nfs/dbraw/zinc/36/36/61/553363661.db2.gz	WUISCYHTXDAAFF-UHFFFAOYSA-N	-1	3	354.248	2.195	20	30		FEEDHM
C=C[C@](C)(CCOC)C(=O)N=c1[n-]n(C)cc1I	ZINC000602391524	553574749	/nfs/dbraw/zinc/57/47/49/553574749.db2.gz	UQHJOSKTYQJSDI-GFCCVEGCSA-N	-1	3	363.199	2.192	20	30		FEEDHM
Cc1cccc2[nH]c([C@@H](C#N)C(=O)Nc3ccc4c(c3)C(=O)[N-]C4=O)nc21	ZINC000505426577	561670952	/nfs/dbraw/zinc/67/09/52/561670952.db2.gz	IKXORXSQFDAUHH-CYBMUJFWSA-N	-1	3	359.345	2.001	20	30		FEEDHM
COc1ccc([O-])c(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1	ZINC000505667317	561677057	/nfs/dbraw/zinc/67/70/57/561677057.db2.gz	YKSAXFPSMBTHBY-KRWDZBQOSA-N	-1	3	365.389	2.198	20	30		FEEDHM
C[C@]1(NC(=O)CC[N-]S(=O)(=O)c2ccc(F)c(F)c2)CCCOC1	ZINC000329175292	553895431	/nfs/dbraw/zinc/89/54/31/553895431.db2.gz	MGUVQMUNZWJTHU-HNNXBMFYSA-N	-1	3	362.398	2.159	20	30		FEEDHM
O=C(Nc1cc(Cl)ccc1[O-])C1CCN(S(=O)(=O)C2COC2)CC1	ZINC000330205545	554084846	/nfs/dbraw/zinc/08/48/46/554084846.db2.gz	DNVXVTIKXGPEHI-UHFFFAOYSA-N	-1	3	374.846	2.074	20	30		FEEDHM
O=C(C[C@@H]1NC(=O)[N-]C1=O)NC[C@H]1CCc2nc(C(F)(F)F)cn2C1	ZINC000330328549	554105997	/nfs/dbraw/zinc/10/59/97/554105997.db2.gz	LUFFSZGBHDZKPO-SFYZADRCSA-N	-1	3	359.308	2.064	20	30		FEEDHM
CCCS(=O)(=O)N1CCC(NC(=O)c2ccc(C(C)=O)c([O-])c2)CC1	ZINC000331347519	554249540	/nfs/dbraw/zinc/24/95/40/554249540.db2.gz	MNZQWXWIZZLAAZ-UHFFFAOYSA-N	-1	3	368.455	2.104	20	30		FEEDHM
CN(C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)C(=O)c1ccc(C#N)c([O-])c1	ZINC000331730322	554317240	/nfs/dbraw/zinc/31/72/40/554317240.db2.gz	OXJDGZQYYDSHOS-QFBILLFUSA-N	-1	3	367.453	2.152	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(-c2ccc3n[nH]nc3c2)no1	ZINC000350473376	554791126	/nfs/dbraw/zinc/79/11/26/554791126.db2.gz	BVARZVAKJROMPK-UHFFFAOYSA-N	-1	3	361.365	2.382	20	30		FEEDHM
Cc1ccc(F)c(N2CCC[C@H]([N-]S(=O)(=O)CCCCC#N)C2=O)c1	ZINC000363227139	555058826	/nfs/dbraw/zinc/05/88/26/555058826.db2.gz	DUHNMXWJRFUMCN-HNNXBMFYSA-N	-1	3	367.446	2.243	20	30		FEEDHM
C#Cc1cccc(NC(=O)N2CC(S(=O)(=O)[N-]c3ccccc3)C2)c1	ZINC000364035870	555237560	/nfs/dbraw/zinc/23/75/60/555237560.db2.gz	IGHWNNOTPISQIF-UHFFFAOYSA-N	-1	3	355.419	2.326	20	30		FEEDHM
Cn1[n-]c(-c2ccccc2Cl)nc1=NC(=O)COc1ccccc1C#N	ZINC000365722649	555651165	/nfs/dbraw/zinc/65/11/65/555651165.db2.gz	ZKWSTIVUMRNGEU-UHFFFAOYSA-N	-1	3	367.796	2.447	20	30		FEEDHM
C=C(C)[C@H]1OCC[C@H]1C(=O)NC1CCN(C(=O)c2cccc([O-])c2)CC1	ZINC000365930024	555703648	/nfs/dbraw/zinc/70/36/48/555703648.db2.gz	JSMRHSKHPMTSIO-QZTJIDSGSA-N	-1	3	358.438	2.094	20	30		FEEDHM
C=CCOc1ccccc1C[N-]S(=O)(=O)c1cc(C(=O)OC)co1	ZINC000513791193	561949759	/nfs/dbraw/zinc/94/97/59/561949759.db2.gz	KXPUPABZCNNENP-UHFFFAOYSA-N	-1	3	351.380	2.110	20	30		FEEDHM
O=C(CCC/N=C1/[N-]S(=O)(=O)c2ccccc21)N1CCCC12CCC2	ZINC000366750320	555924471	/nfs/dbraw/zinc/92/44/71/555924471.db2.gz	KJOYNPSNQYJSAN-UHFFFAOYSA-N	-1	3	361.467	2.050	20	30		FEEDHM
CCOC(=O)c1sc2[n-]c([C@@H](C)N3CC(C)(C#N)C3)nc(=O)c2c1C	ZINC000514946592	561988110	/nfs/dbraw/zinc/98/81/10/561988110.db2.gz	HTPQWMZHFKRLEA-SNVBAGLBSA-N	-1	3	360.439	2.376	20	30		FEEDHM
COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)c2ccc(C#N)cc2)s1	ZINC000516379052	562041439	/nfs/dbraw/zinc/04/14/39/562041439.db2.gz	UZKKLWGZDLNLPU-SNVBAGLBSA-N	-1	3	350.421	2.446	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)c1c[nH]cn1)c1nc(-c2ccc(C#N)cc2)cs1	ZINC000370569922	556911166	/nfs/dbraw/zinc/91/11/66/556911166.db2.gz	QYYVMOUSOCUVHL-JTQLQIEISA-N	-1	3	359.436	2.444	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)[C@@H]1[C@H]2CCO[C@H]2C1(C)C	ZINC000371774037	557289895	/nfs/dbraw/zinc/28/98/95/557289895.db2.gz	WYXQNCRNIWTPLB-ZTFGCOKTSA-N	-1	3	357.454	2.480	20	30		FEEDHM
N#Cc1ccc(-c2cnc(CS(=O)(=O)c3nc(C4CC4)n[n-]3)o2)cc1	ZINC000371805094	557298110	/nfs/dbraw/zinc/29/81/10/557298110.db2.gz	FQRCLTCIKQGESR-UHFFFAOYSA-N	-1	3	355.379	2.183	20	30		FEEDHM
N#Cc1ccc(-c2cnc(CS(=O)(=O)c3nnc(C4CC4)[n-]3)o2)cc1	ZINC000371805094	557298113	/nfs/dbraw/zinc/29/81/13/557298113.db2.gz	FQRCLTCIKQGESR-UHFFFAOYSA-N	-1	3	355.379	2.183	20	30		FEEDHM
N#Cc1cnc(NCC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)cn1	ZINC000519201656	562127096	/nfs/dbraw/zinc/12/70/96/562127096.db2.gz	UUWNVCZGIAXPPL-UHFFFAOYSA-N	-1	3	372.237	2.045	20	30		FEEDHM
CCOCc1nc([C@H](C)[N-]S(=O)(=O)CC2(C#N)CCCCC2)no1	ZINC000519619493	562137226	/nfs/dbraw/zinc/13/72/26/562137226.db2.gz	ZISGMGZUKCCSIU-LBPRGKRZSA-N	-1	3	356.448	2.061	20	30		FEEDHM
N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@@H]1CCO[C@@H]1C1CC1	ZINC000376388452	558166777	/nfs/dbraw/zinc/16/67/77/558166777.db2.gz	YORKQSYOQFOHPT-TZMCWYRMSA-N	-1	3	371.256	2.167	20	30		FEEDHM
C=CC[C@H](CC)NC(=O)c1cc(C2CC2)nc2c1c(=O)[n-]c(=O)n2CC	ZINC000410131151	558740636	/nfs/dbraw/zinc/74/06/36/558740636.db2.gz	PLLQKSROMXCFFP-LBPRGKRZSA-N	-1	3	356.426	2.479	20	30		FEEDHM
N#Cc1cc(S(=O)(=O)NCc2ncccc2[O-])ccc1C(F)(F)F	ZINC000410408099	558755639	/nfs/dbraw/zinc/75/56/39/558755639.db2.gz	MVPSRXXXJKNNJI-UHFFFAOYSA-N	-1	3	357.313	2.156	20	30		FEEDHM
CC(C)[C@@H](C#N)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000414462867	559165880	/nfs/dbraw/zinc/16/58/80/559165880.db2.gz	ZJDUDIGCHSBWOZ-SECBINFHSA-N	-1	3	351.306	2.440	20	30		FEEDHM
C=C(C)COCC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000416428222	559312208	/nfs/dbraw/zinc/31/22/08/559312208.db2.gz	PQUCQIJBGBVFHC-UHFFFAOYSA-N	-1	3	368.333	2.485	20	30		FEEDHM
C[C@@H]1[C@@H]([N-]S(=O)(=O)c2cc(Br)ccc2C#N)CCCN1C	ZINC000416458251	559314458	/nfs/dbraw/zinc/31/44/58/559314458.db2.gz	QDBIUSQHBZVGLY-MFKMUULPSA-N	-1	3	372.288	2.082	20	30		FEEDHM
C[C@@H]1CC[C@H](C[N-]S(=O)(=O)c2cccc(Br)c2C#N)O1	ZINC000416537345	559320481	/nfs/dbraw/zinc/32/04/81/559320481.db2.gz	SMWTXZDNQIHIIY-NXEZZACHSA-N	-1	3	359.245	2.167	20	30		FEEDHM
COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)[N-][C@@H]1CC[C@H](C#N)C1	ZINC000425189557	559690171	/nfs/dbraw/zinc/69/01/71/559690171.db2.gz	NKRZVVWDYASZLZ-WDEREUQCSA-N	-1	3	371.846	2.278	20	30		FEEDHM
CCC(CC)(C[N-]S(=O)(=O)c1cccnc1C#N)C(=O)OC(C)(C)C	ZINC000425192216	559690397	/nfs/dbraw/zinc/69/03/97/559690397.db2.gz	ZRCQVJKFGUOROP-UHFFFAOYSA-N	-1	3	367.471	2.380	20	30		FEEDHM
COC(=O)c1cnc([C@H](C)[N-]S(=O)(=O)CC2(C#N)CCCCC2)s1	ZINC000425198383	559690647	/nfs/dbraw/zinc/69/06/47/559690647.db2.gz	DKNIMTXVAKOIFS-NSHDSACASA-N	-1	3	371.484	2.384	20	30		FEEDHM
CC1(C)CCC[C@](O)(C[N-]S(=O)(=O)Cc2cc(C#N)ccc2F)C1	ZINC000527327254	562285565	/nfs/dbraw/zinc/28/55/65/562285565.db2.gz	UBPMUFVGEKEIOB-QGZVFWFLSA-N	-1	3	354.447	2.448	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-]Cc1cc(F)ccc1Br	ZINC000428259226	559772347	/nfs/dbraw/zinc/77/23/47/559772347.db2.gz	ZGNPFQASFWGGCR-UHFFFAOYSA-N	-1	3	370.203	2.333	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-]Cc1cccc(OCC(F)(F)F)c1	ZINC000428257877	559772406	/nfs/dbraw/zinc/77/24/06/559772406.db2.gz	CHYDXUUQOQIBHF-UHFFFAOYSA-N	-1	3	371.340	2.373	20	30		FEEDHM
COc1ccc(C2(C[N-]S(=O)(=O)c3cccnc3C#N)CCC2)cc1	ZINC000428408012	559774879	/nfs/dbraw/zinc/77/48/79/559774879.db2.gz	JELVBWMKHHWCKX-UHFFFAOYSA-N	-1	3	357.435	2.362	20	30		FEEDHM
C=CCn1c(=O)[n-]nc1S(=O)(=O)Cc1coc(-c2ccc(C)cc2)n1	ZINC000429910777	559808518	/nfs/dbraw/zinc/80/85/18/559808518.db2.gz	QGJPTRRRIWYGKS-UHFFFAOYSA-N	-1	3	360.395	2.107	20	30		FEEDHM
CN(C)S(=O)(=O)c1ccc(C(=O)[N-]c2ccc(C#N)cc2Cl)o1	ZINC000430357732	559818524	/nfs/dbraw/zinc/81/85/24/559818524.db2.gz	KGTIUHPVRUPJKG-UHFFFAOYSA-N	-1	3	353.787	2.307	20	30		FEEDHM
CCOC(=O)c1nnc(-c2cccc(CNC(=O)NCCCCC#N)c2)[n-]1	ZINC000434176725	559895132	/nfs/dbraw/zinc/89/51/32/559895132.db2.gz	HDLHAKLNZMHAMJ-UHFFFAOYSA-N	-1	3	370.413	2.141	20	30		FEEDHM
CCOC(=O)c1nc(-c2cccc(CNC(=O)NCCCCC#N)c2)n[n-]1	ZINC000434176725	559895133	/nfs/dbraw/zinc/89/51/33/559895133.db2.gz	HDLHAKLNZMHAMJ-UHFFFAOYSA-N	-1	3	370.413	2.141	20	30		FEEDHM
COc1ccc(OC)c(CC[N-]S(=O)(=O)c2ccc(C#N)s2)c1	ZINC000435431523	559922909	/nfs/dbraw/zinc/92/29/09/559922909.db2.gz	IZSWBGUWZBBMNY-UHFFFAOYSA-N	-1	3	352.437	2.158	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-][C@H](Cc2ccccc2)[C@H](O)C(F)F)s1	ZINC000435437571	559923102	/nfs/dbraw/zinc/92/31/02/559923102.db2.gz	LIYZEVOBXZZGLY-OCCSQVGLSA-N	-1	3	372.418	2.135	20	30		FEEDHM
C=C(C)[C@H](CC(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1)OCC	ZINC000436523234	559944264	/nfs/dbraw/zinc/94/42/64/559944264.db2.gz	RABGOFSVTVELMF-SFHVURJKSA-N	-1	3	360.454	2.484	20	30		FEEDHM
C=C[C@](C)(CCOC)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1[O-]	ZINC000438162239	559975015	/nfs/dbraw/zinc/97/50/15/559975015.db2.gz	SLMSIKRMPUPQSL-QGZVFWFLSA-N	-1	3	368.455	2.099	20	30		FEEDHM
COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccccc1CCN(C)C	ZINC000438236554	559976115	/nfs/dbraw/zinc/97/61/15/559976115.db2.gz	YDACBFGJPOJJCB-UHFFFAOYSA-N	-1	3	359.451	2.472	20	30		FEEDHM
N#Cc1cccc(-c2c[nH]c(CNC(=O)c3csc(=NC4CC4)[n-]3)n2)c1	ZINC000438317018	559977071	/nfs/dbraw/zinc/97/70/71/559977071.db2.gz	HUKKXIIVWCYGMZ-UHFFFAOYSA-N	-1	3	364.434	2.909	20	30		FEEDHM
C[C@](O)(C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F)C(F)(F)F	ZINC000444185628	560104716	/nfs/dbraw/zinc/10/47/16/560104716.db2.gz	BZIVFOKTCROFLH-VIFPVBQESA-N	-1	3	369.258	2.436	20	30		FEEDHM
N#CC1(CS(=O)(=O)[N-][C@H](c2nc[nH]n2)c2ccccc2)CCCCC1	ZINC000445731134	560134404	/nfs/dbraw/zinc/13/44/04/560134404.db2.gz	GVWVJMURNFBVCC-HNNXBMFYSA-N	-1	3	359.455	2.288	20	30		FEEDHM
COCCOCCS(=O)(=O)[N-]c1ccc(OC(C)(C)C)c(C#N)c1	ZINC000451082662	560286083	/nfs/dbraw/zinc/28/60/83/560286083.db2.gz	GWESVWZNJAVGAI-UHFFFAOYSA-N	-1	3	356.444	2.140	20	30		FEEDHM
CC(C)[C@H]1C[C@@H](C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CCO1	ZINC000451818015	560330508	/nfs/dbraw/zinc/33/05/08/560330508.db2.gz	NHNHVELBXVCJIQ-SWLSCSKDSA-N	-1	3	367.427	2.196	20	30		FEEDHM
CCOC(=O)[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl	ZINC000451947825	560340061	/nfs/dbraw/zinc/34/00/61/560340061.db2.gz	QTTJYEXBDSJMHK-YPMHNXCESA-N	-1	3	356.831	2.222	20	30		FEEDHM
Cc1nc(NCC[N-]S(=O)(=O)c2cccs2)c(Cl)cc1C#N	ZINC000461932049	560788353	/nfs/dbraw/zinc/78/83/53/560788353.db2.gz	AWVUHXNYWMWWAQ-UHFFFAOYSA-N	-1	3	356.860	2.367	20	30		FEEDHM
C/C=C/C[C@@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C(=O)OCC	ZINC000463403813	560812903	/nfs/dbraw/zinc/81/29/03/560812903.db2.gz	ITWNVFSTNJDGOV-BIENSFFJSA-N	-1	3	359.426	2.222	20	30		FEEDHM
N#Cc1cccc(-n2ccc(C(=O)Nc3cccc(-c4nnn[n-]4)c3)n2)c1	ZINC000466984200	560900891	/nfs/dbraw/zinc/90/08/91/560900891.db2.gz	ZBYWJWDAELRGHZ-UHFFFAOYSA-N	-1	3	356.349	2.176	20	30		FEEDHM
N#Cc1cccc(-n2ccc(C(=O)Nc3cccc(-c4nn[n-]n4)c3)n2)c1	ZINC000466984200	560900892	/nfs/dbraw/zinc/90/08/92/560900892.db2.gz	ZBYWJWDAELRGHZ-UHFFFAOYSA-N	-1	3	356.349	2.176	20	30		FEEDHM
C=CC[C@H](CC)NC(=O)C1([N-]S(=O)(=O)c2c(C)noc2C)CCCC1	ZINC000467694904	560915112	/nfs/dbraw/zinc/91/51/12/560915112.db2.gz	HPBTVDQPECLUMN-AWEZNQCLSA-N	-1	3	369.487	2.353	20	30		FEEDHM
CCc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)N(C)CCC#N)n2)cc1	ZINC000471874604	561013563	/nfs/dbraw/zinc/01/35/63/561013563.db2.gz	HQZXAXNAZGSZAM-GFCCVEGCSA-N	-1	3	363.443	2.040	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)CCC(=O)OC(C)C	ZINC000473589648	561053430	/nfs/dbraw/zinc/05/34/30/561053430.db2.gz	GRPOUDWAVZFRMI-LBPRGKRZSA-N	-1	3	361.442	2.445	20	30		FEEDHM
N#CC1(CS(=O)(=O)[N-]CC(=O)Nc2ccc(F)cc2)CCCCC1	ZINC000475572378	561100152	/nfs/dbraw/zinc/10/01/52/561100152.db2.gz	XUJIYGXVORFXDA-UHFFFAOYSA-N	-1	3	353.419	2.158	20	30		FEEDHM
CCC(C#N)(CC)c1nc(-c2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)no1	ZINC000528066717	562313070	/nfs/dbraw/zinc/31/30/70/562313070.db2.gz	KTQGTOCVHHCXFV-QGZVFWFLSA-N	-1	3	353.382	2.373	20	30		FEEDHM
C[C@@]1(c2ccc(NC(=O)c3c(F)cc(C#N)cc3F)cc2)NC(=O)[N-]C1=O	ZINC000531261634	562440044	/nfs/dbraw/zinc/44/00/44/562440044.db2.gz	DFMVSMYWQRMVIU-SFHVURJKSA-N	-1	3	370.315	2.143	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCOC3(CCSCC3)C2)c(F)c1	ZINC000532765220	562487984	/nfs/dbraw/zinc/48/79/84/562487984.db2.gz	XTNVYIONAHTLKB-ZDUSSCGKSA-N	-1	3	370.471	2.420	20	30		FEEDHM
COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)C1CCCCC1	ZINC000533554797	562513099	/nfs/dbraw/zinc/51/30/99/562513099.db2.gz	VQDKMFQAJPPYGK-HNNXBMFYSA-N	-1	3	354.403	2.098	20	30		FEEDHM
CCC[C@@H](C#N)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br	ZINC000534900344	562544866	/nfs/dbraw/zinc/54/48/66/562544866.db2.gz	BUMYJAKTUDAOPA-QMMMGPOBSA-N	-1	3	362.205	2.328	20	30		FEEDHM
O=S(=O)([N-]CC[C@H](O)C(F)(F)F)c1ccc(C(F)(F)F)c(F)c1	ZINC000541772041	562619627	/nfs/dbraw/zinc/61/96/27/562619627.db2.gz	UWLTWSIWTVLMPB-VIFPVBQESA-N	-1	3	369.258	2.436	20	30		FEEDHM
C=CC(C)(C)CCNC(=O)NCc1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1	ZINC000636703221	567863442	/nfs/dbraw/zinc/86/34/42/567863442.db2.gz	UBDRJEXXCVKWLR-LJQANCHMSA-N	-1	3	358.442	2.143	20	30		FEEDHM
CC(C)[C@@H](CO)C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000568677304	568120148	/nfs/dbraw/zinc/12/01/48/568120148.db2.gz	RRDSGVVDDJNSTL-LLVKDONJSA-N	-1	3	350.362	2.120	20	30		FEEDHM
N#Cc1ccc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)cc1C#N	ZINC000737717091	598927436	/nfs/dbraw/zinc/92/74/36/598927436.db2.gz	YKMQDQKSWVIALM-UHFFFAOYSA-N	-1	3	361.390	2.341	20	30		FEEDHM
N#Cc1ccc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)cc1C#N	ZINC000737717091	598927438	/nfs/dbraw/zinc/92/74/38/598927438.db2.gz	YKMQDQKSWVIALM-UHFFFAOYSA-N	-1	3	361.390	2.341	20	30		FEEDHM
CC(C)(C#N)NC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1	ZINC000735572014	598932364	/nfs/dbraw/zinc/93/23/64/598932364.db2.gz	OKHTVBHPBFKBPP-UHFFFAOYSA-N	-1	3	362.393	2.478	20	30		FEEDHM
CC(C)(C#N)NC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1	ZINC000735572014	598932366	/nfs/dbraw/zinc/93/23/66/598932366.db2.gz	OKHTVBHPBFKBPP-UHFFFAOYSA-N	-1	3	362.393	2.478	20	30		FEEDHM
COc1ccc(C(C)=NNCc2ccc(-c3nnn[n-]3)cc2)c(OC)c1	ZINC000821777543	607254089	/nfs/dbraw/zinc/25/40/89/607254089.db2.gz	HRPQXDRQGBRAEC-UHFFFAOYSA-N	-1	3	352.398	2.398	20	30		FEEDHM
COc1ccc(C(C)=NNCc2ccc(-c3nn[n-]n3)cc2)c(OC)c1	ZINC000821777543	607254090	/nfs/dbraw/zinc/25/40/90/607254090.db2.gz	HRPQXDRQGBRAEC-UHFFFAOYSA-N	-1	3	352.398	2.398	20	30		FEEDHM
COc1cc(C(C)=NNCc2ccc(-c3nnn[n-]3)cc2)c(OC)cc1O	ZINC000821708683	607254476	/nfs/dbraw/zinc/25/44/76/607254476.db2.gz	WCUKGEOJPMTRQQ-UHFFFAOYSA-N	-1	3	368.397	2.103	20	30		FEEDHM
COc1cc(C(C)=NNCc2ccc(-c3nn[n-]n3)cc2)c(OC)cc1O	ZINC000821708683	607254477	/nfs/dbraw/zinc/25/44/77/607254477.db2.gz	WCUKGEOJPMTRQQ-UHFFFAOYSA-N	-1	3	368.397	2.103	20	30		FEEDHM
C[C@@](C#N)(NC(=O)COc1ccc(-c2nn[n-]n2)cc1)C1CCCCC1	ZINC000735503008	598969880	/nfs/dbraw/zinc/96/98/80/598969880.db2.gz	FAXIXFCSZLDBOI-SFHVURJKSA-N	-1	3	354.414	2.224	20	30		FEEDHM
N#C[C@@H](NC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1)C1CC1	ZINC000737675579	599031898	/nfs/dbraw/zinc/03/18/98/599031898.db2.gz	PUINLQUNAPXPBA-GOSISDBHSA-N	-1	3	374.404	2.478	20	30		FEEDHM
N#Cc1cccc(C(=O)OCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c1	ZINC000737723106	599152159	/nfs/dbraw/zinc/15/21/59/599152159.db2.gz	PPMFLIMWHWLALE-UHFFFAOYSA-N	-1	3	373.332	2.145	20	30		FEEDHM
N#Cc1cccc(C(=O)OCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c1	ZINC000737723106	599152160	/nfs/dbraw/zinc/15/21/60/599152160.db2.gz	PPMFLIMWHWLALE-UHFFFAOYSA-N	-1	3	373.332	2.145	20	30		FEEDHM
COc1ccc(C=CC(=O)c2ccc(O)c(OC)c2)cc1-c1nnn[n-]1	ZINC000737034937	599152964	/nfs/dbraw/zinc/15/29/64/599152964.db2.gz	MSXNDCUSTYPCEF-ZZXKWVIFSA-N	-1	3	352.350	2.486	20	30		FEEDHM
CN(C)c1ccc(NC(=S)NN=Cc2cccc(-c3nnn[n-]3)c2)cc1	ZINC000736778244	598276967	/nfs/dbraw/zinc/27/69/67/598276967.db2.gz	DTFAPMKEPAKOJX-UHFFFAOYSA-N	-1	3	366.454	2.253	20	30		FEEDHM
CN(C)c1ccc(NC(=S)NN=Cc2cccc(-c3nn[n-]n3)c2)cc1	ZINC000736778244	598276969	/nfs/dbraw/zinc/27/69/69/598276969.db2.gz	DTFAPMKEPAKOJX-UHFFFAOYSA-N	-1	3	366.454	2.253	20	30		FEEDHM
C[C@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1ccc(C#N)cc1	ZINC000736118287	598318900	/nfs/dbraw/zinc/31/89/00/598318900.db2.gz	MJDYTFININRIFS-NSHDSACASA-N	-1	3	365.372	2.438	20	30		FEEDHM
C[C@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1ccc(C#N)cc1	ZINC000736118287	598318902	/nfs/dbraw/zinc/31/89/02/598318902.db2.gz	MJDYTFININRIFS-NSHDSACASA-N	-1	3	365.372	2.438	20	30		FEEDHM
CCOc1ccc(C#N)cc1NC(=O)CNc1ccc(-c2nn[n-]n2)cc1	ZINC000736635980	598382865	/nfs/dbraw/zinc/38/28/65/598382865.db2.gz	GBXPNDCAIGFUIO-UHFFFAOYSA-N	-1	3	363.381	2.188	20	30		FEEDHM
N#CCOc1ccc(CNC(=O)CCc2ccc(-c3nnn[n-]3)cc2)cc1	ZINC000737694867	598496253	/nfs/dbraw/zinc/49/62/53/598496253.db2.gz	FSJATYZIVBIIOR-UHFFFAOYSA-N	-1	3	362.393	2.018	20	30		FEEDHM
N#CCOc1ccc(CNC(=O)CCc2ccc(-c3nn[n-]n3)cc2)cc1	ZINC000737694867	598496255	/nfs/dbraw/zinc/49/62/55/598496255.db2.gz	FSJATYZIVBIIOR-UHFFFAOYSA-N	-1	3	362.393	2.018	20	30		FEEDHM
CC(=N[N-]c1nc2c(cnn2C)c(O)n1)c1cc2c(C)nn(C)c2s1	ZINC000807973502	674436546	/nfs/dbraw/zinc/43/65/46/674436546.db2.gz	RFMXBJPCJXJUMQ-UHFFFAOYSA-N	-1	3	356.415	2.162	20	30		FEEDHM
N#Cc1ccc(NC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)cc1	ZINC000737716370	598570513	/nfs/dbraw/zinc/57/05/13/598570513.db2.gz	QCRMIHKXPJNZEZ-KRWDZBQOSA-N	-1	3	359.393	2.346	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cnn2ccccc12	ZINC000735420282	598655404	/nfs/dbraw/zinc/65/54/04/598655404.db2.gz	ODOWMDPFCJLRHQ-UHFFFAOYSA-N	-1	3	359.393	2.343	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cnn2ccccc12	ZINC000735420282	598655406	/nfs/dbraw/zinc/65/54/06/598655406.db2.gz	ODOWMDPFCJLRHQ-UHFFFAOYSA-N	-1	3	359.393	2.343	20	30		FEEDHM
C[C@@](C#N)(CCc1ccccc1)NC(=O)Cc1ccc(-c2nnn[n-]2)cc1	ZINC000735506090	598691512	/nfs/dbraw/zinc/69/15/12/598691512.db2.gz	ZFDDGDKUTGBHAG-FQEVSTJZSA-N	-1	3	360.421	2.440	20	30		FEEDHM
C[C@@](C#N)(CCc1ccccc1)NC(=O)Cc1ccc(-c2nn[n-]n2)cc1	ZINC000735506090	598691513	/nfs/dbraw/zinc/69/15/13/598691513.db2.gz	ZFDDGDKUTGBHAG-FQEVSTJZSA-N	-1	3	360.421	2.440	20	30		FEEDHM
N#CCC[C@H](C#N)CN1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1	ZINC000737682316	598789157	/nfs/dbraw/zinc/78/91/57/598789157.db2.gz	HDWHEQOOJPPNLH-CQSZACIVSA-N	-1	3	351.414	2.153	20	30		FEEDHM
N#CCC[C@H](C#N)CN1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1	ZINC000737682316	598789160	/nfs/dbraw/zinc/78/91/60/598789160.db2.gz	HDWHEQOOJPPNLH-CQSZACIVSA-N	-1	3	351.414	2.153	20	30		FEEDHM
Cc1cc(C#N)ccc1S(=O)(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1	ZINC000822160863	599324106	/nfs/dbraw/zinc/32/41/06/599324106.db2.gz	LJEVQCVTHATUMV-GFCCVEGCSA-N	-1	3	368.422	2.086	20	30		FEEDHM
Cc1cc(C#N)ccc1S(=O)(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1	ZINC000822160863	599324108	/nfs/dbraw/zinc/32/41/08/599324108.db2.gz	LJEVQCVTHATUMV-GFCCVEGCSA-N	-1	3	368.422	2.086	20	30		FEEDHM
COC(=O)[C@H](N[C@H](C)c1cccc(C#N)c1)c1ccc(-c2nnn[n-]2)cc1	ZINC000821640614	599391985	/nfs/dbraw/zinc/39/19/85/599391985.db2.gz	LNSCYHUXXSFOPQ-SJKOYZFVSA-N	-1	3	362.393	2.303	20	30		FEEDHM
COC(=O)[C@H](N[C@H](C)c1cccc(C#N)c1)c1ccc(-c2nn[n-]n2)cc1	ZINC000821640614	599391987	/nfs/dbraw/zinc/39/19/87/599391987.db2.gz	LNSCYHUXXSFOPQ-SJKOYZFVSA-N	-1	3	362.393	2.303	20	30		FEEDHM
COc1ccc(-c2nnn[n-]2)cc1Cn1c(C)nnc1-c1cccc(C#N)c1	ZINC000821752680	607378876	/nfs/dbraw/zinc/37/88/76/607378876.db2.gz	QSRNUTRKKQUZSR-UHFFFAOYSA-N	-1	3	372.392	2.362	20	30		FEEDHM
COc1ccc(-c2nn[n-]n2)cc1Cn1c(C)nnc1-c1cccc(C#N)c1	ZINC000821752680	607378878	/nfs/dbraw/zinc/37/88/78/607378878.db2.gz	QSRNUTRKKQUZSR-UHFFFAOYSA-N	-1	3	372.392	2.362	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]CCN2CCC3(CCCCC3)CC2)o1	ZINC000557854476	674471347	/nfs/dbraw/zinc/47/13/47/674471347.db2.gz	XRXWRLOQTJNPCS-UHFFFAOYSA-N	-1	3	351.472	2.476	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CC1(O)CCCCC1	ZINC000819744188	599698236	/nfs/dbraw/zinc/69/82/36/599698236.db2.gz	ZLHKKVJFVXLWSP-UHFFFAOYSA-N	-1	3	355.442	2.467	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CC1(O)CCCCC1	ZINC000819744188	599698235	/nfs/dbraw/zinc/69/82/35/599698235.db2.gz	ZLHKKVJFVXLWSP-UHFFFAOYSA-N	-1	3	355.442	2.467	20	30		FEEDHM
COCCN(C(=O)c1ccc(C#N)cc1C)c1ccc(-c2nnn[n-]2)cc1	ZINC000826157205	607431627	/nfs/dbraw/zinc/43/16/27/607431627.db2.gz	LLOUXOYVKNTERZ-UHFFFAOYSA-N	-1	3	362.393	2.340	20	30		FEEDHM
COCCN(C(=O)c1ccc(C#N)cc1C)c1ccc(-c2nn[n-]n2)cc1	ZINC000826157205	607431628	/nfs/dbraw/zinc/43/16/28/607431628.db2.gz	LLOUXOYVKNTERZ-UHFFFAOYSA-N	-1	3	362.393	2.340	20	30		FEEDHM
C[C@@H]1CCCC[C@H]1NC(=S)NN=Cc1ccc(-c2nnn[n-]2)cc1F	ZINC000820704301	607463279	/nfs/dbraw/zinc/46/32/79/607463279.db2.gz	NMMWSYSFWSNSMH-QMTHXVAHSA-N	-1	3	361.450	2.383	20	30		FEEDHM
C[C@@H]1CCCC[C@H]1NC(=S)NN=Cc1ccc(-c2nn[n-]n2)cc1F	ZINC000820704301	607463280	/nfs/dbraw/zinc/46/32/80/607463280.db2.gz	NMMWSYSFWSNSMH-QMTHXVAHSA-N	-1	3	361.450	2.383	20	30		FEEDHM
CN(N=Cc1ccc(-c2nnn[n-]2)cc1F)C(=S)NCc1ccccc1	ZINC000821618914	607463397	/nfs/dbraw/zinc/46/33/97/607463397.db2.gz	BAXVPJUGUPTLAF-UHFFFAOYSA-N	-1	3	369.429	2.346	20	30		FEEDHM
CN(N=Cc1ccc(-c2nn[n-]n2)cc1F)C(=S)NCc1ccccc1	ZINC000821618914	607463398	/nfs/dbraw/zinc/46/33/98/607463398.db2.gz	BAXVPJUGUPTLAF-UHFFFAOYSA-N	-1	3	369.429	2.346	20	30		FEEDHM
C[C@H]1CCCC[C@@H]1NC(=S)NN=Cc1ccc(-c2nnn[n-]2)cc1F	ZINC000820704295	607463423	/nfs/dbraw/zinc/46/34/23/607463423.db2.gz	NMMWSYSFWSNSMH-HZMBPMFUSA-N	-1	3	361.450	2.383	20	30		FEEDHM
C[C@H]1CCCC[C@@H]1NC(=S)NN=Cc1ccc(-c2nn[n-]n2)cc1F	ZINC000820704295	607463424	/nfs/dbraw/zinc/46/34/24/607463424.db2.gz	NMMWSYSFWSNSMH-HZMBPMFUSA-N	-1	3	361.450	2.383	20	30		FEEDHM
CS(=O)(=O)Cc1ccccc1CN[C@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000832681993	601380348	/nfs/dbraw/zinc/38/03/48/601380348.db2.gz	NWUIJMMGQFWRCA-KRWDZBQOSA-N	-1	3	358.419	2.018	20	30		FEEDHM
C[C@@H](C(=O)[O-])[C@@H](NCC(=O)NCc1cccc(C#N)c1)c1ccccc1	ZINC000826055243	601656782	/nfs/dbraw/zinc/65/67/82/601656782.db2.gz	XIXYKHXYURTCGO-AUUYWEPGSA-N	-1	3	351.406	2.226	20	30		FEEDHM
N#Cc1cncc(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCCO3)c1	ZINC000558586221	674504881	/nfs/dbraw/zinc/50/48/81/674504881.db2.gz	DRCUREJFQPHYDC-UHFFFAOYSA-N	-1	3	351.771	2.179	20	30		FEEDHM
C=CC[C@@H](NS(=O)(=O)c1cccc(C)c1-c1nnn[n-]1)c1ccncc1	ZINC000823888716	607616134	/nfs/dbraw/zinc/61/61/34/607616134.db2.gz	UPVJGDWGQAASEY-CQSZACIVSA-N	-1	3	370.438	2.166	20	30		FEEDHM
C=CC[C@@H](NS(=O)(=O)c1cccc(C)c1-c1nn[n-]n1)c1ccncc1	ZINC000823888716	607616136	/nfs/dbraw/zinc/61/61/36/607616136.db2.gz	UPVJGDWGQAASEY-CQSZACIVSA-N	-1	3	370.438	2.166	20	30		FEEDHM
Cc1cccc(S(=O)(=O)Oc2c(C)cc(C#N)cc2C)c1-c1nnn[n-]1	ZINC000826256280	607649126	/nfs/dbraw/zinc/64/91/26/607649126.db2.gz	BGMJUJISQDDYBO-UHFFFAOYSA-N	-1	3	369.406	2.431	20	30		FEEDHM
Cc1cc(C#N)ccc1C(=O)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1	ZINC000826257143	607690167	/nfs/dbraw/zinc/69/01/67/607690167.db2.gz	PGQRLANLGZNDTQ-UHFFFAOYSA-N	-1	3	370.376	2.485	20	30		FEEDHM
N#C[C@H](c1ccc(F)cc1)N1CCN(CC2CCN(C(=O)[O-])CC2)CC1	ZINC000833964728	605772394	/nfs/dbraw/zinc/77/23/94/605772394.db2.gz	OAFPSVFSMRYLAZ-GOSISDBHSA-N	-1	3	360.433	2.398	20	30		FEEDHM
COC(=O)CN(CC#N)Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1	ZINC000821662555	606070188	/nfs/dbraw/zinc/07/01/88/606070188.db2.gz	IHXZJNVZDCFRLT-UHFFFAOYSA-N	-1	3	362.393	2.032	20	30		FEEDHM
COC(=O)CN(CC#N)Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1	ZINC000821662555	606070196	/nfs/dbraw/zinc/07/01/96/606070196.db2.gz	IHXZJNVZDCFRLT-UHFFFAOYSA-N	-1	3	362.393	2.032	20	30		FEEDHM
N#Cc1cc(NC(=O)c2cc(-c3ccccn3)no2)ccc1-c1nnn[n-]1	ZINC000822823343	606149872	/nfs/dbraw/zinc/14/98/72/606149872.db2.gz	ORXFULCJYORQPS-UHFFFAOYSA-N	-1	3	358.321	2.041	20	30		FEEDHM
N#Cc1cc(NC(=O)c2cc(-c3ccccn3)no2)ccc1-c1nn[n-]n1	ZINC000822823343	606149873	/nfs/dbraw/zinc/14/98/73/606149873.db2.gz	ORXFULCJYORQPS-UHFFFAOYSA-N	-1	3	358.321	2.041	20	30		FEEDHM
N#Cc1ccc(COC(=O)c2ccc(-c3nnn[n-]3)cn2)c(OC(F)F)c1	ZINC000822825700	606559429	/nfs/dbraw/zinc/55/94/29/606559429.db2.gz	LUWPZGRIOWMCHG-UHFFFAOYSA-N	-1	3	372.291	2.092	20	30		FEEDHM
N#Cc1ccc(COC(=O)c2ccc(-c3nn[n-]n3)cn2)c(OC(F)F)c1	ZINC000822825700	606559430	/nfs/dbraw/zinc/55/94/30/606559430.db2.gz	LUWPZGRIOWMCHG-UHFFFAOYSA-N	-1	3	372.291	2.092	20	30		FEEDHM
N#Cc1cc(F)c(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c(F)c1	ZINC000822818973	606681374	/nfs/dbraw/zinc/68/13/74/606681374.db2.gz	JLDICZBAQCUDKV-UHFFFAOYSA-N	-1	3	351.276	2.141	20	30		FEEDHM
N#Cc1cc(F)c(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c(F)c1	ZINC000822818973	606681375	/nfs/dbraw/zinc/68/13/75/606681375.db2.gz	JLDICZBAQCUDKV-UHFFFAOYSA-N	-1	3	351.276	2.141	20	30		FEEDHM
Cc1cc(F)cc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c1[N+](=O)[O-]	ZINC000822203535	606733128	/nfs/dbraw/zinc/73/31/28/606733128.db2.gz	YJFSSTBJWDQVTK-UHFFFAOYSA-N	-1	3	367.300	2.346	20	30		FEEDHM
Cc1cc(F)cc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c1[N+](=O)[O-]	ZINC000822203535	606733129	/nfs/dbraw/zinc/73/31/29/606733129.db2.gz	YJFSSTBJWDQVTK-UHFFFAOYSA-N	-1	3	367.300	2.346	20	30		FEEDHM
N#Cc1ccc(Cl)cc1OCC(=O)NCc1cccc(-c2nnn[n-]2)c1	ZINC000822825799	606784193	/nfs/dbraw/zinc/78/41/93/606784193.db2.gz	PGDRGDJKVHDCHZ-UHFFFAOYSA-N	-1	3	368.784	2.087	20	30		FEEDHM
N#Cc1ccc(Cl)cc1OCC(=O)NCc1cccc(-c2nn[n-]n2)c1	ZINC000822825799	606784194	/nfs/dbraw/zinc/78/41/94/606784194.db2.gz	PGDRGDJKVHDCHZ-UHFFFAOYSA-N	-1	3	368.784	2.087	20	30		FEEDHM
C=CCCCCCN(C)S(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1	ZINC000819739667	606843372	/nfs/dbraw/zinc/84/33/72/606843372.db2.gz	CFKINJSKJABNBX-UHFFFAOYSA-N	-1	3	353.423	2.373	20	30		FEEDHM
CCNc1ccc(C#N)cc1NC(=O)COc1ccccc1-c1nnn[n-]1	ZINC000821308865	607099647	/nfs/dbraw/zinc/09/96/47/607099647.db2.gz	GOBXITMUXVMKKQ-UHFFFAOYSA-N	-1	3	363.381	2.188	20	30		FEEDHM
CCNc1ccc(C#N)cc1NC(=O)COc1ccccc1-c1nn[n-]n1	ZINC000821308865	607099649	/nfs/dbraw/zinc/09/96/49/607099649.db2.gz	GOBXITMUXVMKKQ-UHFFFAOYSA-N	-1	3	363.381	2.188	20	30		FEEDHM
S=C(NN=C1CCCc2cc(-c3nnn[n-]3)ccc21)Nc1ccccn1	ZINC000823733052	607124766	/nfs/dbraw/zinc/12/47/66/607124766.db2.gz	SNBJKXXFXMGSLT-UHFFFAOYSA-N	-1	3	364.438	2.289	20	30		FEEDHM
S=C(NN=C1CCCc2cc(-c3nn[n-]n3)ccc21)Nc1ccccn1	ZINC000823733052	607124768	/nfs/dbraw/zinc/12/47/68/607124768.db2.gz	SNBJKXXFXMGSLT-UHFFFAOYSA-N	-1	3	364.438	2.289	20	30		FEEDHM
Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CN(C)c1ccccc1C#N	ZINC000826334684	607847277	/nfs/dbraw/zinc/84/72/77/607847277.db2.gz	FMCZCRMNDRFXAH-UHFFFAOYSA-N	-1	3	371.408	2.399	20	30		FEEDHM
Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CN(C)c1ccccc1C#N	ZINC000826334684	607847278	/nfs/dbraw/zinc/84/72/78/607847278.db2.gz	FMCZCRMNDRFXAH-UHFFFAOYSA-N	-1	3	371.408	2.399	20	30		FEEDHM
Fc1ccccc1C1N=NC(=S)N1N=Cc1ccccc1-c1nnn[n-]1	ZINC000826377681	607882872	/nfs/dbraw/zinc/88/28/72/607882872.db2.gz	BDDQZRFKNBEUES-UHFFFAOYSA-N	-1	3	366.385	2.435	20	30		FEEDHM
Fc1ccccc1C1N=NC(=S)N1N=Cc1ccccc1-c1nn[n-]n1	ZINC000826377681	607882873	/nfs/dbraw/zinc/88/28/73/607882873.db2.gz	BDDQZRFKNBEUES-UHFFFAOYSA-N	-1	3	366.385	2.435	20	30		FEEDHM
C(=NNCc1ccc(-c2nnn[n-]2)cc1)c1cnc([C@@H]2CCCO2)s1	ZINC000823861968	607889734	/nfs/dbraw/zinc/88/97/34/607889734.db2.gz	VKCINIVBGCFLNO-AWEZNQCLSA-N	-1	3	355.427	2.298	20	30		FEEDHM
C(=NNCc1ccc(-c2nn[n-]n2)cc1)c1cnc([C@@H]2CCCO2)s1	ZINC000823861968	607889735	/nfs/dbraw/zinc/88/97/35/607889735.db2.gz	VKCINIVBGCFLNO-AWEZNQCLSA-N	-1	3	355.427	2.298	20	30		FEEDHM
C#CCNC(=S)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1	ZINC000823850568	607966875	/nfs/dbraw/zinc/96/68/75/607966875.db2.gz	RLPRQESLVUJFEU-UHFFFAOYSA-N	-1	3	364.434	2.365	20	30		FEEDHM
C#CCNC(=S)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1	ZINC000823850568	607966876	/nfs/dbraw/zinc/96/68/76/607966876.db2.gz	RLPRQESLVUJFEU-UHFFFAOYSA-N	-1	3	364.434	2.365	20	30		FEEDHM
CC[C@@H](C#N)NC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1	ZINC000825038964	607981155	/nfs/dbraw/zinc/98/11/55/607981155.db2.gz	LCKQZWOJGXWKMV-ZDUSSCGKSA-N	-1	3	352.354	2.071	20	30		FEEDHM
CC[C@@H](C#N)NC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1	ZINC000825038964	607981156	/nfs/dbraw/zinc/98/11/56/607981156.db2.gz	LCKQZWOJGXWKMV-ZDUSSCGKSA-N	-1	3	352.354	2.071	20	30		FEEDHM
CN(C(=O)Cc1cccc(OCC#N)c1)c1ccc(-c2nnn[n-]2)cc1F	ZINC000825820702	608027117	/nfs/dbraw/zinc/02/71/17/608027117.db2.gz	PKTUBLSNPXTVOH-UHFFFAOYSA-N	-1	3	366.356	2.114	20	30		FEEDHM
CN(C(=O)Cc1cccc(OCC#N)c1)c1ccc(-c2nn[n-]n2)cc1F	ZINC000825820702	608027118	/nfs/dbraw/zinc/02/71/18/608027118.db2.gz	PKTUBLSNPXTVOH-UHFFFAOYSA-N	-1	3	366.356	2.114	20	30		FEEDHM
N#CCOc1cccc(CC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)c1	ZINC000826381986	608030106	/nfs/dbraw/zinc/03/01/06/608030106.db2.gz	JAJVOPFCXORXSR-UHFFFAOYSA-N	-1	3	374.404	2.117	20	30		FEEDHM
N#CCOc1cccc(CC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)c1	ZINC000826381986	608030107	/nfs/dbraw/zinc/03/01/07/608030107.db2.gz	JAJVOPFCXORXSR-UHFFFAOYSA-N	-1	3	374.404	2.117	20	30		FEEDHM
C[C@]1(C#N)CCCN(CCC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1	ZINC000824776832	608125768	/nfs/dbraw/zinc/12/57/68/608125768.db2.gz	DLZFOOSMJKHHCL-QGZVFWFLSA-N	-1	3	373.848	2.474	20	30		FEEDHM
C[C@]1(C#N)CCCN(CCC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1	ZINC000824776832	608125769	/nfs/dbraw/zinc/12/57/69/608125769.db2.gz	DLZFOOSMJKHHCL-QGZVFWFLSA-N	-1	3	373.848	2.474	20	30		FEEDHM
C#CCOCCNC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1	ZINC000823856817	608133622	/nfs/dbraw/zinc/13/36/22/608133622.db2.gz	ZPPXTXKCPQPBFG-UHFFFAOYSA-N	-1	3	363.377	2.039	20	30		FEEDHM
C#CCOCCNC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1	ZINC000823856817	608133623	/nfs/dbraw/zinc/13/36/23/608133623.db2.gz	ZPPXTXKCPQPBFG-UHFFFAOYSA-N	-1	3	363.377	2.039	20	30		FEEDHM
CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCC[C@](C)(C#N)C1	ZINC000824207234	608140237	/nfs/dbraw/zinc/14/02/37/608140237.db2.gz	RXQITTUSORPCTE-QFBILLFUSA-N	-1	3	368.441	2.422	20	30		FEEDHM
CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCC[C@](C)(C#N)C1	ZINC000824207234	608140238	/nfs/dbraw/zinc/14/02/38/608140238.db2.gz	RXQITTUSORPCTE-QFBILLFUSA-N	-1	3	368.441	2.422	20	30		FEEDHM
C=CCN(C1CC1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C(F)(F)F	ZINC000823904255	608248634	/nfs/dbraw/zinc/24/86/34/608248634.db2.gz	YCCTUGFGJHNKEK-UHFFFAOYSA-N	-1	3	373.360	2.225	20	30		FEEDHM
C=CCN(C1CC1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C(F)(F)F	ZINC000823904255	608248636	/nfs/dbraw/zinc/24/86/36/608248636.db2.gz	YCCTUGFGJHNKEK-UHFFFAOYSA-N	-1	3	373.360	2.225	20	30		FEEDHM
C=CCN(C(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1)C1CC1	ZINC000823898830	608278089	/nfs/dbraw/zinc/27/80/89/608278089.db2.gz	DBRZAJUGWULXNP-UHFFFAOYSA-N	-1	3	354.414	2.153	20	30		FEEDHM
C=CCN(C(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1)C1CC1	ZINC000823898830	608278090	/nfs/dbraw/zinc/27/80/90/608278090.db2.gz	DBRZAJUGWULXNP-UHFFFAOYSA-N	-1	3	354.414	2.153	20	30		FEEDHM
C#CCCCCC(=O)OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1	ZINC000823840711	608322966	/nfs/dbraw/zinc/32/29/66/608322966.db2.gz	BZNBCKWZOJMTCZ-UHFFFAOYSA-N	-1	3	352.354	2.154	20	30		FEEDHM
C#CCCCCC(=O)OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1	ZINC000823840711	608322968	/nfs/dbraw/zinc/32/29/68/608322968.db2.gz	BZNBCKWZOJMTCZ-UHFFFAOYSA-N	-1	3	352.354	2.154	20	30		FEEDHM
C(CCc1ccc2c(c1)OCCO2)=NNCc1ccc(-c2nnn[n-]2)cc1	ZINC000823868094	608387342	/nfs/dbraw/zinc/38/73/42/608387342.db2.gz	NFZOFOXEKACNNU-UHFFFAOYSA-N	-1	3	364.409	2.346	20	30		FEEDHM
C(CCc1ccc2c(c1)OCCO2)=NNCc1ccc(-c2nn[n-]n2)cc1	ZINC000823868094	608387344	/nfs/dbraw/zinc/38/73/44/608387344.db2.gz	NFZOFOXEKACNNU-UHFFFAOYSA-N	-1	3	364.409	2.346	20	30		FEEDHM
N#Cc1ccc(C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)nc1	ZINC000826384273	608484007	/nfs/dbraw/zinc/48/40/07/608484007.db2.gz	OGGUIAMCEAEERS-UHFFFAOYSA-N	-1	3	357.377	2.063	20	30		FEEDHM
N#Cc1ccc(C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)nc1	ZINC000826384273	608484010	/nfs/dbraw/zinc/48/40/10/608484010.db2.gz	OGGUIAMCEAEERS-UHFFFAOYSA-N	-1	3	357.377	2.063	20	30		FEEDHM
CSCCN=c1scc(C)n1N=Cc1cccc(-c2nnn[n-]2)c1	ZINC000826229313	608753977	/nfs/dbraw/zinc/75/39/77/608753977.db2.gz	ZJOVEFPZLRESBL-UHFFFAOYSA-N	-1	3	359.484	2.184	20	30		FEEDHM
CSCCN=c1scc(C)n1N=Cc1cccc(-c2nn[n-]n2)c1	ZINC000826229313	608753980	/nfs/dbraw/zinc/75/39/80/608753980.db2.gz	ZJOVEFPZLRESBL-UHFFFAOYSA-N	-1	3	359.484	2.184	20	30		FEEDHM
N#CCc1ccccc1CC(=O)OCc1ccc(F)cc1-c1nnn[n-]1	ZINC000826382638	609244811	/nfs/dbraw/zinc/24/48/11/609244811.db2.gz	OGOSXAUPVGFZJL-UHFFFAOYSA-N	-1	3	351.341	2.358	20	30		FEEDHM
N#CCc1ccccc1CC(=O)OCc1ccc(F)cc1-c1nn[n-]n1	ZINC000826382638	609244814	/nfs/dbraw/zinc/24/48/14/609244814.db2.gz	OGOSXAUPVGFZJL-UHFFFAOYSA-N	-1	3	351.341	2.358	20	30		FEEDHM
O=C(C=Cc1cn(-c2ccccc2)nn1)c1ccc(-c2nnn[n-]2)cc1F	ZINC000826403110	609271413	/nfs/dbraw/zinc/27/14/13/609271413.db2.gz	JZAPYIPXGVOPAB-CLFYSBASSA-N	-1	3	361.340	2.483	20	30		FEEDHM
O=C(C=Cc1cn(-c2ccccc2)nn1)c1ccc(-c2nn[n-]n2)cc1F	ZINC000826403110	609271414	/nfs/dbraw/zinc/27/14/14/609271414.db2.gz	JZAPYIPXGVOPAB-CLFYSBASSA-N	-1	3	361.340	2.483	20	30		FEEDHM
CC(N=Nc1nc(-c2ccncc2)no1)c1ccc(-c2nnn[n-]2)cc1F	ZINC000823963245	609277810	/nfs/dbraw/zinc/27/78/10/609277810.db2.gz	ZFZKIWDSJHHLQB-UHFFFAOYSA-N	-1	3	365.332	2.287	20	30		FEEDHM
CC(N=Nc1nc(-c2ccncc2)no1)c1ccc(-c2nn[n-]n2)cc1F	ZINC000823963245	609277811	/nfs/dbraw/zinc/27/78/11/609277811.db2.gz	ZFZKIWDSJHHLQB-UHFFFAOYSA-N	-1	3	365.332	2.287	20	30		FEEDHM
COc1ccc(CSc2nnc(C)c(C)c2-c2nnn[n-]2)cc1C#N	ZINC000826208086	609305041	/nfs/dbraw/zinc/30/50/41/609305041.db2.gz	RUYFIWDTTFCNES-UHFFFAOYSA-N	-1	3	353.411	2.446	20	30		FEEDHM
COc1ccc(CSc2nnc(C)c(C)c2-c2nn[n-]n2)cc1C#N	ZINC000826208086	609305043	/nfs/dbraw/zinc/30/50/43/609305043.db2.gz	RUYFIWDTTFCNES-UHFFFAOYSA-N	-1	3	353.411	2.446	20	30		FEEDHM
N#Cc1c[nH]c(C(=O)OCc2ccc(-c3nnn[n-]3)cc2Br)c1	ZINC000826383533	609348984	/nfs/dbraw/zinc/34/89/84/609348984.db2.gz	FQZRKOAKLKORPD-UHFFFAOYSA-N	-1	3	373.170	2.186	20	30		FEEDHM
N#Cc1c[nH]c(C(=O)OCc2ccc(-c3nn[n-]n3)cc2Br)c1	ZINC000826383533	609348986	/nfs/dbraw/zinc/34/89/86/609348986.db2.gz	FQZRKOAKLKORPD-UHFFFAOYSA-N	-1	3	373.170	2.186	20	30		FEEDHM
Cc1c(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cnn1CC(C)C	ZINC000826234905	609383756	/nfs/dbraw/zinc/38/37/56/609383756.db2.gz	SZPZFEGUMBDNTK-UHFFFAOYSA-N	-1	3	350.386	2.152	20	30		FEEDHM
Cc1c(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cnn1CC(C)C	ZINC000826234905	609383758	/nfs/dbraw/zinc/38/37/58/609383758.db2.gz	SZPZFEGUMBDNTK-UHFFFAOYSA-N	-1	3	350.386	2.152	20	30		FEEDHM
N#CCCNC(=O)CSc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1	ZINC000826381879	609453440	/nfs/dbraw/zinc/45/34/40/609453440.db2.gz	CNHFBYBTUJJKTM-UHFFFAOYSA-N	-1	3	356.333	2.007	20	30		FEEDHM
N#CCCNC(=O)CSc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1	ZINC000826381879	609453442	/nfs/dbraw/zinc/45/34/42/609453442.db2.gz	CNHFBYBTUJJKTM-UHFFFAOYSA-N	-1	3	356.333	2.007	20	30		FEEDHM
Cc1cc(C(=O)Nc2ccccc2-c2nnn[n-]2)nn1-c1cccc(C#N)c1	ZINC000826260391	609506928	/nfs/dbraw/zinc/50/69/28/609506928.db2.gz	LWVFBFLWKJTWSN-UHFFFAOYSA-N	-1	3	370.376	2.485	20	30		FEEDHM
Cc1cc(C(=O)Nc2ccccc2-c2nn[n-]n2)nn1-c1cccc(C#N)c1	ZINC000826260391	609506929	/nfs/dbraw/zinc/50/69/29/609506929.db2.gz	LWVFBFLWKJTWSN-UHFFFAOYSA-N	-1	3	370.376	2.485	20	30		FEEDHM
C=C(C)CN(CC)C(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1	ZINC000823877608	609516153	/nfs/dbraw/zinc/51/61/53/609516153.db2.gz	BAFOJASIGNHOGE-UHFFFAOYSA-N	-1	3	351.414	2.399	20	30		FEEDHM
C=C(C)CN(CC)C(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1	ZINC000823877608	609516154	/nfs/dbraw/zinc/51/61/54/609516154.db2.gz	BAFOJASIGNHOGE-UHFFFAOYSA-N	-1	3	351.414	2.399	20	30		FEEDHM
C=CC1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)CC1	ZINC000823888350	609544260	/nfs/dbraw/zinc/54/42/60/609544260.db2.gz	JUXCHXIQKKENDY-UHFFFAOYSA-N	-1	3	353.835	2.107	20	30		FEEDHM
C=CC1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)CC1	ZINC000823888350	609544261	/nfs/dbraw/zinc/54/42/61/609544261.db2.gz	JUXCHXIQKKENDY-UHFFFAOYSA-N	-1	3	353.835	2.107	20	30		FEEDHM
C#C[C@H](NC(=O)c1cc(S(=O)(=O)[N-]C)oc1C)c1ccc(Cl)cc1	ZINC000811948244	674641732	/nfs/dbraw/zinc/64/17/32/674641732.db2.gz	BUAJLVJQUSHWTQ-AWEZNQCLSA-N	-1	3	366.826	2.254	20	30		FEEDHM
CCCC[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NCCCCF	ZINC000812610608	674687613	/nfs/dbraw/zinc/68/76/13/674687613.db2.gz	HXGZTPXLTDUDPZ-CQSZACIVSA-N	-1	3	369.462	2.150	20	30		FEEDHM
CC[C@@H]([N-]S(=O)(=O)Cc1ccc(F)cc1C#N)C(=O)OC(C)(C)C	ZINC000562548628	674768762	/nfs/dbraw/zinc/76/87/62/674768762.db2.gz	XUCMYCAEWNKQAT-CQSZACIVSA-N	-1	3	356.419	2.237	20	30		FEEDHM
C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1ccc(Cl)c2nonc21	ZINC000814393353	674840830	/nfs/dbraw/zinc/84/08/30/674840830.db2.gz	ZRWBURJCKYJFBI-YMTOWFKASA-N	-1	3	357.819	2.136	20	30		FEEDHM
Cc1ccc(COC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)o1	ZINC000816427527	675054941	/nfs/dbraw/zinc/05/49/41/675054941.db2.gz	BKUMBPZPXTXJBR-NSHDSACASA-N	-1	3	362.407	2.149	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Br	ZINC000102932453	670778624	/nfs/dbraw/zinc/77/86/24/670778624.db2.gz	OCSKOGQGSKKODU-UHFFFAOYSA-N	-1	3	368.636	2.353	20	30		FEEDHM
Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2F)CCNC3=O)ccc1C#N	ZINC000579815141	671762376	/nfs/dbraw/zinc/76/23/76/671762376.db2.gz	GBMBORAABAGRSC-UHFFFAOYSA-N	-1	3	359.382	2.093	20	30		FEEDHM
CC(C)(C)[C@@H]([N-]S(C)(=O)=O)C(=O)OCC#Cc1ccc(Cl)cc1	ZINC000152335247	672179469	/nfs/dbraw/zinc/17/94/69/672179469.db2.gz	UPIKUDNZSDXZHO-AWEZNQCLSA-N	-1	3	357.859	2.199	20	30		FEEDHM
C=CCn1c(=O)[nH]nc1SCc1cc(=O)oc2cc([O-])c(CC)cc12	ZINC000163662676	672310407	/nfs/dbraw/zinc/31/04/07/672310407.db2.gz	VMGRVLZCLPHSLF-UHFFFAOYSA-N	-1	3	359.407	2.424	20	30		FEEDHM
C=C(CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)C(=O)OCC	ZINC000172292038	672340686	/nfs/dbraw/zinc/34/06/86/672340686.db2.gz	BWRZIKJYVDBNJV-UHFFFAOYSA-N	-1	3	356.407	2.320	20	30		FEEDHM
C=C(C)C[C@H](NC(C)=O)C(=O)NCc1ccc([O-])c(Br)c1	ZINC000612643248	676091822	/nfs/dbraw/zinc/09/18/22/676091822.db2.gz	NXVLPFQSSSYCTC-ZDUSSCGKSA-N	-1	3	355.232	2.242	20	30		FEEDHM
CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)C[C@@H](OC)[C@H]1CCOC1	ZINC000594693987	673116934	/nfs/dbraw/zinc/11/69/34/673116934.db2.gz	BFQLMQZHTSQFDA-WMLDXEAASA-N	-1	3	367.471	2.173	20	30		FEEDHM
C=CCCSCCNC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1	ZINC000596718787	673406861	/nfs/dbraw/zinc/40/68/61/673406861.db2.gz	IECAUEXUQPCMQO-UHFFFAOYSA-N	-1	3	363.483	2.169	20	30		FEEDHM
C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)n1ccc(C=N[O-])nc1=O	ZINC000736306737	673519237	/nfs/dbraw/zinc/51/92/37/673519237.db2.gz	KHDMTDHTQLAYFS-SECBINFHSA-N	-1	3	354.288	2.270	20	30		FEEDHM
COc1cccc([C@@H](CO)[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c1	ZINC000613928070	676153719	/nfs/dbraw/zinc/15/37/19/676153719.db2.gz	NGWCHTRHMCYMPW-OAHLLOKOSA-N	-1	3	366.826	2.232	20	30		FEEDHM
CCCN(CC(C)C)C(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000742528668	673729938	/nfs/dbraw/zinc/72/99/38/673729938.db2.gz	XNRBAVCAKMHOOQ-CQSZACIVSA-N	-1	3	365.499	2.398	20	30		FEEDHM
O=C1CN(N=Cc2csc(-c3cccc(Br)c3)n2)C(=O)[N-]1	ZINC000744809918	673811973	/nfs/dbraw/zinc/81/19/73/673811973.db2.gz	DKEHAWMFJNPNTM-UHFFFAOYSA-N	-1	3	365.212	2.458	20	30		FEEDHM
CCOc1ccc(C=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)cc1	ZINC000746491835	673881526	/nfs/dbraw/zinc/88/15/26/673881526.db2.gz	NTGPYVWXQWMXBR-UHFFFAOYSA-N	-1	3	363.395	2.447	20	30		FEEDHM
CCCCOc1c(Cl)cc(C(=O)N[C@@H]2CCN([O-])C2=O)cc1OC	ZINC000820162989	675340387	/nfs/dbraw/zinc/34/03/87/675340387.db2.gz	LITUKUSXSWRIHC-GFCCVEGCSA-N	-1	3	356.806	2.247	20	30		FEEDHM
O=C(Nc1ccc(C(=O)N[C@@H]2CCN([O-])C2=O)s1)Nc1ccccc1	ZINC000820185021	675342170	/nfs/dbraw/zinc/34/21/70/675342170.db2.gz	HJYIVHFHUYHQEO-LLVKDONJSA-N	-1	3	360.395	2.112	20	30		FEEDHM
Cc1ccc(Br)c2cc(C(=O)N[C@@H]3CCCN([O-])C3=O)[nH]c21	ZINC000820543917	675368817	/nfs/dbraw/zinc/36/88/17/675368817.db2.gz	BEPUJYPQVILVAV-LLVKDONJSA-N	-1	3	366.215	2.349	20	30		FEEDHM
C=C[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1ccc(Br)cc1F	ZINC000568475272	675376683	/nfs/dbraw/zinc/37/66/83/675376683.db2.gz	FNUYZSVGDQPUQQ-MNOVXSKESA-N	-1	3	350.209	2.210	20	30		FEEDHM
CCOc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1cccnc1C#N)CCO2	ZINC000617478108	676287705	/nfs/dbraw/zinc/28/77/05/676287705.db2.gz	FQALYYXWBZWOMA-CQSZACIVSA-N	-1	3	359.407	2.154	20	30		FEEDHM
C=C(C)CN1CCC(NC(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1	ZINC000655868089	677668774	/nfs/dbraw/zinc/66/87/74/677668774.db2.gz	NUQJFIKOBBYJTF-CWRNSKLLSA-N	-1	3	351.491	2.462	20	30		FEEDHM
C=CCCNC(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl	ZINC000661569693	678505000	/nfs/dbraw/zinc/50/50/00/678505000.db2.gz	SCXVIDYPSDJHDG-UHFFFAOYSA-N	-1	3	366.270	2.147	20	30		FEEDHM
C#CC1CCN(C(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)CC1	ZINC000831346979	679969960	/nfs/dbraw/zinc/96/99/60/679969960.db2.gz	OUMRTLMYEXYRLK-UHFFFAOYSA-N	-1	3	365.455	2.334	20	30		FEEDHM
CC[C@H](NC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21)C1CCCCC1	ZINC000751192309	680159191	/nfs/dbraw/zinc/15/91/91/680159191.db2.gz	SADAJVGSZPHAIC-HNNXBMFYSA-N	-1	3	363.483	2.200	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N(CCC#N)CC(C)C)ccc1F	ZINC000751381385	680170309	/nfs/dbraw/zinc/17/03/09/680170309.db2.gz	UVJJBJGHJOAZCC-UHFFFAOYSA-N	-1	3	367.446	2.302	20	30		FEEDHM
C#C[C@@H](CC)NC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl	ZINC000754371748	680351958	/nfs/dbraw/zinc/35/19/58/680351958.db2.gz	QNQCCJSNKHLBGH-JTQLQIEISA-N	-1	3	363.266	2.190	20	30		FEEDHM
CC1(C)CCC[C@H](OC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)C1	ZINC000836163505	680430913	/nfs/dbraw/zinc/43/09/13/680430913.db2.gz	CCSCAXWOTCCIPS-LBPRGKRZSA-N	-1	3	350.440	2.237	20	30		FEEDHM
Cc1ccc(COC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1C	ZINC000758368740	680573089	/nfs/dbraw/zinc/57/30/89/680573089.db2.gz	NYVACZMXTMZQJY-UHFFFAOYSA-N	-1	3	358.419	2.085	20	30		FEEDHM
CC(C)(CC#N)CNC(=O)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F	ZINC000837889634	680658454	/nfs/dbraw/zinc/65/84/54/680658454.db2.gz	XTFFZEBIFRINSO-UHFFFAOYSA-N	-1	3	371.409	2.075	20	30		FEEDHM
C#CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C(=O)OC	ZINC000841540025	680894516	/nfs/dbraw/zinc/89/45/16/680894516.db2.gz	QMYVCXUURIXXED-SNVBAGLBSA-N	-1	3	369.748	2.202	20	30		FEEDHM
CCn1cncc1C=Nn1c(=S)[n-]nc1[C@@H]1COc2ccccc2O1	ZINC000841609306	680903368	/nfs/dbraw/zinc/90/33/68/680903368.db2.gz	VYZTYKUXRBCEJG-AWEZNQCLSA-N	-1	3	356.411	2.178	20	30		FEEDHM
C#CCCN(CC(F)(F)F)C(=O)CCNC(=O)c1ccc(C)cc1[O-]	ZINC000768614965	680952807	/nfs/dbraw/zinc/95/28/07/680952807.db2.gz	NPDLJYSUDXYFLE-UHFFFAOYSA-N	-1	3	356.344	2.235	20	30		FEEDHM
C#C[C@H](CC)[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl	ZINC000770379537	681014240	/nfs/dbraw/zinc/01/42/40/681014240.db2.gz	QJXQHYUXCRXIAQ-MRVPVSSYSA-N	-1	3	350.223	2.470	20	30		FEEDHM
C#C[C@H]([N-]S(=O)(=O)c1cc(C)c(Br)s1)[C@@H]1CCCO1	ZINC000773057075	681123224	/nfs/dbraw/zinc/12/32/24/681123224.db2.gz	NZKOCZHECSTIAJ-UWVGGRQHSA-N	-1	3	364.286	2.278	20	30		FEEDHM
C[N-]S(=O)(=O)c1cc(C(=O)OCC#Cc2cccc(Cl)c2)c(C)o1	ZINC000773174167	681129071	/nfs/dbraw/zinc/12/90/71/681129071.db2.gz	CJMSBXJNJLOSNL-UHFFFAOYSA-N	-1	3	367.810	2.358	20	30		FEEDHM
C[C@@H](CC(=O)OC[C@H]1CC1(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000845726176	681148734	/nfs/dbraw/zinc/14/87/34/681148734.db2.gz	LPFXXDYUJPCCNY-NWDGAFQWSA-N	-1	3	350.440	2.093	20	30		FEEDHM
C#C[C@@H]([N-]S(=O)(=O)c1sc(Br)cc1C)[C@H]1CCCO1	ZINC000845913261	681161917	/nfs/dbraw/zinc/16/19/17/681161917.db2.gz	YHUVPGAPXMLNFQ-NXEZZACHSA-N	-1	3	364.286	2.278	20	30		FEEDHM
C/C(=C\c1ccc(OC(F)(F)F)cc1)C(=O)N[C@H]1CCCN([O-])C1=O	ZINC000848131552	681477608	/nfs/dbraw/zinc/47/76/08/681477608.db2.gz	ILNTWBKQOVLTCO-LXKVQUBZSA-N	-1	3	358.316	2.485	20	30		FEEDHM
CCc1c(C(=O)N[C@H]2CCCN([O-])C2=O)cnn1-c1ccc(Cl)cc1	ZINC000848134733	681478132	/nfs/dbraw/zinc/47/81/32/681478132.db2.gz	YFOONBGGPGHHHV-AWEZNQCLSA-N	-1	3	362.817	2.198	20	30		FEEDHM
CCCCOC(=O)C(C)(C)[N-]S(=O)(=O)Cc1ccc(F)cc1C#N	ZINC000848504098	681564010	/nfs/dbraw/zinc/56/40/10/681564010.db2.gz	BDKXECJMUUBMBI-UHFFFAOYSA-N	-1	3	356.419	2.239	20	30		FEEDHM
COC(=O)C1([N-]S(=O)(=O)Cc2c(C)cc(C#N)cc2C)CCCC1	ZINC000913897045	685488071	/nfs/dbraw/zinc/48/80/71/685488071.db2.gz	MLGHZJLTQPFXQH-UHFFFAOYSA-N	-1	3	350.440	2.080	20	30		FEEDHM
O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)OCC1CCCCCC1	ZINC000781483669	681940028	/nfs/dbraw/zinc/94/00/28/681940028.db2.gz	XWSDXIHXTXHZNB-UHFFFAOYSA-N	-1	3	350.440	2.239	20	30		FEEDHM
CC[C@@H]([N-]S(=O)(=O)Cc1c(C)cc(C#N)cc1C)[C@@H](O)C(F)(F)F	ZINC000914310080	685503545	/nfs/dbraw/zinc/50/35/45/685503545.db2.gz	QPNSZSYOFIZSAM-ZIAGYGMSSA-N	-1	3	364.389	2.296	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)OC[C@H]2CCCCO2)ccc1F	ZINC000914459186	685508072	/nfs/dbraw/zinc/50/80/72/685508072.db2.gz	KCMPKTHQEYXENG-CYBMUJFWSA-N	-1	3	357.403	2.016	20	30		FEEDHM
C#C[C@@H]([N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl)C1CCOCC1	ZINC000851827192	682150240	/nfs/dbraw/zinc/15/02/40/682150240.db2.gz	GWJHJLHGSFFQEJ-GFCCVEGCSA-N	-1	3	372.830	2.263	20	30		FEEDHM
C[C@@]1(C#N)CCCN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)C1	ZINC000784749070	682252082	/nfs/dbraw/zinc/25/20/82/682252082.db2.gz	YGEABEFXNDKLJP-KRWDZBQOSA-N	-1	3	365.430	2.032	20	30		FEEDHM
C=C(CC)COC(=O)C1([N-]S(=O)(=O)c2c(C)noc2C)CCCC1	ZINC000786299457	682366459	/nfs/dbraw/zinc/36/64/59/682366459.db2.gz	QUYWOTDPWRNNSX-UHFFFAOYSA-N	-1	3	356.444	2.392	20	30		FEEDHM
CC[C@@H](CC#N)OC(=O)CS(=O)(=O)[N-]c1ccc(OC(C)C)cc1	ZINC000787087099	682433584	/nfs/dbraw/zinc/43/35/84/682433584.db2.gz	LOHLDXRLEVGUHM-AWEZNQCLSA-N	-1	3	354.428	2.451	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H]2CCC[C@H]3C[C@H]32)ccc1F	ZINC000855773899	682709653	/nfs/dbraw/zinc/70/96/53/682709653.db2.gz	FODJAAPTSWNEDG-AEGPPILISA-N	-1	3	366.458	2.456	20	30		FEEDHM
COc1cc2c(cc1OC)C(=N[N-]S(=O)(=O)Cc1ccccc1)CC2	ZINC000794496992	682972963	/nfs/dbraw/zinc/97/29/63/682972963.db2.gz	IUYJOWMFCRCAGL-UHFFFAOYSA-N	-1	3	360.435	2.474	20	30		FEEDHM
C#CC[C@H](CCOC)[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F	ZINC000859424716	683107247	/nfs/dbraw/zinc/10/72/47/683107247.db2.gz	JUKFYVOSMBHVDP-SNVBAGLBSA-N	-1	3	369.336	2.431	20	30		FEEDHM
COc1ccc(NC(=O)C(C#N)=C([O-])c2cn(C3CC3)nn2)cc1Cl	ZINC000860473756	683248696	/nfs/dbraw/zinc/24/86/96/683248696.db2.gz	RLYZQEXEGAZVPC-LLVKDONJSA-N	-1	3	359.773	2.236	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CC(C)=C[C@H](C)C2)ccc1F	ZINC000797776766	683272637	/nfs/dbraw/zinc/27/26/37/683272637.db2.gz	BSTLAMUMPOERMG-LBPRGKRZSA-N	-1	3	352.431	2.328	20	30		FEEDHM
CC(=N[N-]S(=O)(=O)Cc1ccccc1)c1ccc2c(c1)CCC(=O)N2	ZINC000920384370	683338125	/nfs/dbraw/zinc/33/81/25/683338125.db2.gz	ZWWJNBBBCPKZFN-UHFFFAOYSA-N	-1	3	357.435	2.415	20	30		FEEDHM
COc1cc2c(cc1C=N[N-]S(=O)(=O)Cc1ccccc1)O[C@@H](C)C2	ZINC000920382934	683338264	/nfs/dbraw/zinc/33/82/64/683338264.db2.gz	CNSKSTDDIUUZLT-ZDUSSCGKSA-N	-1	3	360.435	2.472	20	30		FEEDHM
C=CC[C@H](CC)NC(=O)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F	ZINC000799034832	683415825	/nfs/dbraw/zinc/41/58/25/683415825.db2.gz	LTMWYOWXXCXWLV-JTQLQIEISA-N	-1	3	358.410	2.490	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H]2CC[C@@H]3C[C@@H]3C2)ccc1F	ZINC000862378628	683580453	/nfs/dbraw/zinc/58/04/53/683580453.db2.gz	DZNYSPVTCLYDLU-NFAWXSAZSA-N	-1	3	366.458	2.456	20	30		FEEDHM
C#CCC1([N-]S(=O)(=O)c2cc3oc(=O)[nH]c3cc2F)CCCCC1	ZINC000922028260	683640900	/nfs/dbraw/zinc/64/09/00/683640900.db2.gz	CJVRNTDLEJZQPE-UHFFFAOYSA-N	-1	3	352.387	2.265	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)NC[C@]2(C)C[C@H]3C[C@H]3C2)ccc1F	ZINC000863125409	683678243	/nfs/dbraw/zinc/67/82/43/683678243.db2.gz	VJYQSKKNXJWJTN-ZSBFGKGUSA-N	-1	3	366.458	2.456	20	30		FEEDHM
C=C(Cl)C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)C(=O)OCC	ZINC000867592149	684324209	/nfs/dbraw/zinc/32/42/09/684324209.db2.gz	RDTWDOMRCCCWCH-GFCCVEGCSA-N	-1	3	360.794	2.050	20	30		FEEDHM
C=C(Cl)C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1C#N)C(=O)OCC	ZINC000867592355	684324284	/nfs/dbraw/zinc/32/42/84/684324284.db2.gz	ZEKYTPRXDSTXDQ-GFCCVEGCSA-N	-1	3	360.794	2.050	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCC(SC)CC2)ccc1F	ZINC000869648851	684639889	/nfs/dbraw/zinc/63/98/89/684639889.db2.gz	KCAVOGMOOLUFGU-UHFFFAOYSA-N	-1	3	372.487	2.258	20	30		FEEDHM
COCCn1cc(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)cn1	ZINC000870143793	684687423	/nfs/dbraw/zinc/68/74/23/684687423.db2.gz	YJWBOJJZXJUEGI-GFCCVEGCSA-N	-1	3	364.764	2.283	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@H]2CCC[C@@H]2C#N)ccc1F	ZINC000870673815	684743653	/nfs/dbraw/zinc/74/36/53/684743653.db2.gz	FQQNXAIBGKQNHK-HIFRSBDPSA-N	-1	3	365.430	2.054	20	30		FEEDHM
Cc1cc(NC(=O)N[C@@H]2CCCN([O-])C2=O)ccc1N1CCSCC1	ZINC000878523286	686601379	/nfs/dbraw/zinc/60/13/79/686601379.db2.gz	CKMWGOLNTADDIR-CQSZACIVSA-N	-1	3	364.471	2.050	20	30		FEEDHM
Cc1c(NC(=O)N[C@H]2CCCN([O-])C2=O)cccc1OCC(F)(F)F	ZINC000878580444	686612528	/nfs/dbraw/zinc/61/25/28/686612528.db2.gz	FCXWOQBPANJVOY-NSHDSACASA-N	-1	3	361.320	2.438	20	30		FEEDHM
CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)N[C@@H]2CCCN([O-])C2=O)c1	ZINC000878737625	686646966	/nfs/dbraw/zinc/64/69/66/686646966.db2.gz	PPZYZZBALOTBQD-PWECECGKSA-N	-1	3	367.471	2.236	20	30		FEEDHM
O=C(N[C@@H](c1cccc(F)c1F)C(F)(F)F)N[C@@H]1CCCN([O-])C1=O	ZINC000879272026	686784728	/nfs/dbraw/zinc/78/47/28/686784728.db2.gz	KLPVXWRMABIBPR-KOLCDFICSA-N	-1	3	367.274	2.248	20	30		FEEDHM
O=C(Nc1cc(Br)c(F)cc1F)N[C@@H]1CCCN([O-])C1=O	ZINC000879330258	686796479	/nfs/dbraw/zinc/79/64/79/686796479.db2.gz	XJSZXZQUTZFHJM-SECBINFHSA-N	-1	3	364.146	2.229	20	30		FEEDHM
Cc1cc(F)c(Br)cc1NC(=O)N[C@H]1CCCN([O-])C1=O	ZINC000879349180	686802202	/nfs/dbraw/zinc/80/22/02/686802202.db2.gz	MGCJIHQORRCKBT-JTQLQIEISA-N	-1	3	360.183	2.398	20	30		FEEDHM
C=CCCc1ccc(S(=O)(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1	ZINC000882085028	687301334	/nfs/dbraw/zinc/30/13/34/687301334.db2.gz	SREYGONLLAEKOL-UHFFFAOYSA-N	-1	3	360.361	2.421	20	30		FEEDHM
C=CCCCN(CC)C(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000890814064	688968157	/nfs/dbraw/zinc/96/81/57/688968157.db2.gz	SXQDYQHORSVYLO-AWEZNQCLSA-N	-1	3	363.483	2.318	20	30		FEEDHM
O=C1[C@@H](NCc2nc(-c3ccc(Br)cc3)c[nH]2)CCCN1[O-]	ZINC000895164429	689669946	/nfs/dbraw/zinc/66/99/46/689669946.db2.gz	GHTIPFVGGPUPER-LBPRGKRZSA-N	-1	3	365.231	2.309	20	30		FEEDHM
Cc1nn(-c2ccc(F)cc2F)c(C)c1CN[C@@H]1CCCN([O-])C1=O	ZINC000895166379	689670530	/nfs/dbraw/zinc/67/05/30/689670530.db2.gz	QBIIFQPGGRSCEM-OAHLLOKOSA-N	-1	3	350.369	2.237	20	30		FEEDHM
C#CCOc1cccc(Cl)c1CN[C@@H](C)c1n[n-]c(C(=O)OCC)n1	ZINC000895232826	689681572	/nfs/dbraw/zinc/68/15/72/689681572.db2.gz	JDLKUNNNNGSMPW-NSHDSACASA-N	-1	3	362.817	2.498	20	30		FEEDHM
C#CCOc1cccc(Cl)c1CN[C@@H](C)c1nnc(C(=O)OCC)[n-]1	ZINC000895232826	689681575	/nfs/dbraw/zinc/68/15/75/689681575.db2.gz	JDLKUNNNNGSMPW-NSHDSACASA-N	-1	3	362.817	2.498	20	30		FEEDHM
CCCC[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N(C)CCCF	ZINC000899816705	690424403	/nfs/dbraw/zinc/42/44/03/690424403.db2.gz	FUGWLZREAMCVOZ-CQSZACIVSA-N	-1	3	369.462	2.102	20	30		FEEDHM
CCS(=O)(=O)NCc1ccc(C(=O)N([O-])Cc2ccc(F)cc2)cc1	ZINC000901371576	690641133	/nfs/dbraw/zinc/64/11/33/690641133.db2.gz	DYPIUTSWZNYZQC-UHFFFAOYSA-N	-1	3	366.414	2.297	20	30		FEEDHM
CCCCN([O-])C(=O)c1sc(-c2c(C)c(C)nn(C)c2=O)nc1C	ZINC000904208958	691013435	/nfs/dbraw/zinc/01/34/35/691013435.db2.gz	NZLIZYREWXGVJG-UHFFFAOYSA-N	-1	3	350.444	2.461	20	30		FEEDHM
C#CCCc1noc([C@@H](CCSC)[N-]S(=O)(=O)c2ccccc2)n1	ZINC000906102609	691232326	/nfs/dbraw/zinc/23/23/26/691232326.db2.gz	JKGORAJDXVTTQR-CQSZACIVSA-N	-1	3	365.480	2.408	20	30		FEEDHM
CCO[C@]12CCC[C@@]1([N-]S(=O)(=O)Cc1cccc(C#N)c1)CCO2	ZINC000908030238	691602177	/nfs/dbraw/zinc/60/21/77/691602177.db2.gz	ZTANEBWFAVBTMZ-SJORKVTESA-N	-1	3	350.440	2.053	20	30		FEEDHM
O=C(CCCc1ccc(Br)cc1)N[C@@H]1CCCN([O-])C1=O	ZINC000908406169	691674219	/nfs/dbraw/zinc/67/42/19/691674219.db2.gz	MUJWIYLBJHQJBD-CYBMUJFWSA-N	-1	3	355.232	2.268	20	30		FEEDHM
C=C(C)C[C@@H](NC(=O)NCC1(N2CCSCC2)CCCC1)C(=O)[O-]	ZINC000908851452	691740708	/nfs/dbraw/zinc/74/07/08/691740708.db2.gz	LYWJCXLNRBDWEM-CQSZACIVSA-N	-1	3	355.504	2.067	20	30		FEEDHM
COc1ccc2c(c1)[n-]cc(C(=O)Nc1cc(C)n(CCC#N)n1)c2=O	ZINC000507702427	889201944	/nfs/dbraw/zinc/20/19/44/889201944.db2.gz	QLLKFYOQJQMSNF-UHFFFAOYSA-N	-1	3	351.366	2.208	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H](c1cccs1)N(C)C	ZINC000012913846	539578437	/nfs/dbraw/zinc/57/84/37/539578437.db2.gz	HXPOTGDRSKAKSB-INIZCTEOSA-N	-1	3	372.494	2.277	20	30		FEEDHM
COC(=O)C[C@H]([N-]S(=O)(=O)c1cccc(C#N)c1)c1cccs1	ZINC000024485751	539733191	/nfs/dbraw/zinc/73/31/91/539733191.db2.gz	MNCDPEUDPVMUOG-ZDUSSCGKSA-N	-1	3	350.421	2.202	20	30		FEEDHM
Cc1nc2ccccc2c(=O)n1CC(=O)Nc1nnc(C(F)(F)F)[n-]1	ZINC000026251355	539781389	/nfs/dbraw/zinc/78/13/89/539781389.db2.gz	WAKGDEMYNOGNKM-UHFFFAOYSA-N	-1	3	352.276	2.130	20	30		FEEDHM
Cc1nc2ccccc2c(=O)n1CC(=O)Nc1nc(C(F)(F)F)n[n-]1	ZINC000026251355	539781393	/nfs/dbraw/zinc/78/13/93/539781393.db2.gz	WAKGDEMYNOGNKM-UHFFFAOYSA-N	-1	3	352.276	2.130	20	30		FEEDHM
Cc1nc(C)c(CC(=O)Nc2cccc(C#Cc3ccccn3)c2)c(=O)[n-]1	ZINC000031275973	539903549	/nfs/dbraw/zinc/90/35/49/539903549.db2.gz	OVGDHPDVNROGLE-UHFFFAOYSA-N	-1	3	358.401	2.363	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1ccccc1[N+](=O)[O-]	ZINC000046148642	540244401	/nfs/dbraw/zinc/24/44/01/540244401.db2.gz	XMYWBFKNJJGYIR-UHFFFAOYSA-N	-1	3	354.366	2.021	20	30		FEEDHM
O=C(Nc1nncs1)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1	ZINC000051452049	540434621	/nfs/dbraw/zinc/43/46/21/540434621.db2.gz	UHIQPVMMSQEULI-UHFFFAOYSA-N	-1	3	367.387	2.442	20	30		FEEDHM
O=C(COc1ccc2c(c1)CCC(=O)N2)Nc1nnc(-c2ccccn2)[n-]1	ZINC000053526047	540540813	/nfs/dbraw/zinc/54/08/13/540540813.db2.gz	HPKSMKXFCODBEG-UHFFFAOYSA-N	-1	3	364.365	2.418	20	30		FEEDHM
O=C(COc1ccc2c(c1)CCC(=O)N2)Nc1nc(-c2ccccn2)n[n-]1	ZINC000053526047	540540817	/nfs/dbraw/zinc/54/08/17/540540817.db2.gz	HPKSMKXFCODBEG-UHFFFAOYSA-N	-1	3	364.365	2.418	20	30		FEEDHM
O=C(COc1ccc2c(c1)CCC(=O)N2)Nc1n[n-]c(-c2ccccn2)n1	ZINC000053526047	540540819	/nfs/dbraw/zinc/54/08/19/540540819.db2.gz	HPKSMKXFCODBEG-UHFFFAOYSA-N	-1	3	364.365	2.418	20	30		FEEDHM
CSc1[n-]c(=O)c(C(=O)NCCN(C)Cc2ccccc2)cc1C#N	ZINC000065418271	541237021	/nfs/dbraw/zinc/23/70/21/541237021.db2.gz	FHWQWDBZTGWJIT-UHFFFAOYSA-N	-1	3	356.451	2.243	20	30		FEEDHM
N#CCCCCS(=O)(=O)[N-][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O	ZINC000121764374	543699328	/nfs/dbraw/zinc/69/93/28/543699328.db2.gz	JFVQNTAFALAUGS-CQSZACIVSA-N	-1	3	373.837	2.198	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccccc1-n1ccnn1	ZINC000123169132	543746325	/nfs/dbraw/zinc/74/63/25/543746325.db2.gz	LNSMOMRFAUJSHP-UHFFFAOYSA-N	-1	3	362.393	2.015	20	30		FEEDHM
CC(C)[C@H](CCO)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000122578003	543710990	/nfs/dbraw/zinc/71/09/90/543710990.db2.gz	NFCIYVCXEKXXSC-LBPRGKRZSA-N	-1	3	350.362	2.262	20	30		FEEDHM
C[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(F)cc2C#N)C(=O)N1c1ccccc1	ZINC000122609669	543713131	/nfs/dbraw/zinc/71/31/31/543713131.db2.gz	PVZRHOGSHDSVFI-BLLLJJGKSA-N	-1	3	373.409	2.170	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N(C)c1cccc(C#N)c1	ZINC000126518109	543941120	/nfs/dbraw/zinc/94/11/20/543941120.db2.gz	GSZWEIHQAHZTFO-LBPRGKRZSA-N	-1	3	361.398	2.027	20	30		FEEDHM
COc1cccc2c1CC[C@@H]2[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000126529250	543941501	/nfs/dbraw/zinc/94/15/01/543941501.db2.gz	DEEPLNPLTCLHMR-AWEZNQCLSA-N	-1	3	373.390	2.441	20	30		FEEDHM
CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(F)cc1I	ZINC000127884616	544019444	/nfs/dbraw/zinc/01/94/44/544019444.db2.gz	QIXDTLLPDXUPHN-QMMMGPOBSA-N	-1	3	368.171	2.474	20	30		FEEDHM
COc1ccc(S(=O)(=O)[N-][C@]2(C#N)CCC[C@H](C)C2)c([N+](=O)[O-])c1	ZINC000130478927	544152672	/nfs/dbraw/zinc/15/26/72/544152672.db2.gz	ATIUNVNRQWABBO-XHDPSFHLSA-N	-1	3	353.400	2.354	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCC[C@H]1CCCC[C@@H]1O	ZINC000134477576	544310054	/nfs/dbraw/zinc/31/00/54/544310054.db2.gz	WTSBCVFWNHKBCA-QAPCUYQASA-N	-1	3	359.470	2.244	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]C2CCN(Cc3ccccn3)CC2)c(F)c1	ZINC000151078600	544503026	/nfs/dbraw/zinc/50/30/26/544503026.db2.gz	GVLRMMVWNUZKJV-UHFFFAOYSA-N	-1	3	374.441	2.035	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc3c(c2)OCCCO3)c(F)c1	ZINC000151145174	544510139	/nfs/dbraw/zinc/51/01/39/544510139.db2.gz	OZQDYONSWSEQDK-UHFFFAOYSA-N	-1	3	362.382	2.337	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](CCCO)c1ccccc1	ZINC000153043413	544726212	/nfs/dbraw/zinc/72/62/12/544726212.db2.gz	CIZVPATWBYXXJG-LJQANCHMSA-N	-1	3	367.449	2.426	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H]1[C@@H]2Cc3ccccc3[C@@H]21	ZINC000152831907	544700832	/nfs/dbraw/zinc/70/08/32/544700832.db2.gz	GXZFJSWJAJZDOB-CUWPLCDZSA-N	-1	3	361.445	2.498	20	30		FEEDHM
CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-]Cc2cccc(C#N)c2)c1	ZINC000180137674	327672913	/nfs/dbraw/zinc/67/29/13/327672913.db2.gz	HBLYFQLVBNGFEJ-UHFFFAOYSA-N	-1	3	362.382	2.353	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]C[C@H](O)Cc2ccccc2)c(Cl)c1	ZINC000183696672	327831016	/nfs/dbraw/zinc/83/10/16/327831016.db2.gz	DQUQBWFLHQRFLO-CQSZACIVSA-N	-1	3	350.827	2.094	20	30		FEEDHM
Cn1ccnc1[C@H]([N-]S(=O)(=O)c1ccc(C#N)o1)c1ccc(F)cc1	ZINC000553772698	674285147	/nfs/dbraw/zinc/28/51/47/674285147.db2.gz	GNICZXZTZYEEIA-OAHLLOKOSA-N	-1	3	360.370	2.092	20	30		FEEDHM
C[C@]1(c2cccc(NC(=O)C3(c4ccc(C#N)cc4)CC3)c2)NC(=O)[N-]C1=O	ZINC000188167981	328070884	/nfs/dbraw/zinc/07/08/84/328070884.db2.gz	HNJZNXCFQWDCAK-HXUWFJFHSA-N	-1	3	374.400	2.283	20	30		FEEDHM
CCO[C@H]1C[C@@](O)(C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)C1(C)C	ZINC000188474893	328089566	/nfs/dbraw/zinc/08/95/66/328089566.db2.gz	HCVZVEBSUQRYPO-GOEBONIOSA-N	-1	3	372.874	2.056	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-]Cc1cccc(Br)c1	ZINC000232561733	328488052	/nfs/dbraw/zinc/48/80/52/328488052.db2.gz	QGQCIAVNNOTRCO-UHFFFAOYSA-N	-1	3	352.213	2.194	20	30		FEEDHM
N#Cc1ccc(C(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)nc1	ZINC000151257879	326678235	/nfs/dbraw/zinc/67/82/35/326678235.db2.gz	CXXLUIISTXENDC-UHFFFAOYSA-N	-1	3	350.378	2.150	20	30		FEEDHM
Cc1noc(C)c1C[N-]S(=O)(=O)c1cc(Br)cc(C#N)c1	ZINC000155142519	326779174	/nfs/dbraw/zinc/77/91/74/326779174.db2.gz	BHVGKAIMFQBTNJ-UHFFFAOYSA-N	-1	3	370.228	2.404	20	30		FEEDHM
Cc1ccnc([C@H](NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C2CC2)n1	ZINC000157536580	326868198	/nfs/dbraw/zinc/86/81/98/326868198.db2.gz	RWEQHXXEJOEQGN-GOSISDBHSA-N	-1	3	365.437	2.162	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)Cc1cc(C#N)ccc1F)C(=O)Nc1ccccc1	ZINC000162650035	327030924	/nfs/dbraw/zinc/03/09/24/327030924.db2.gz	HODIDRKHHZIWDG-LBPRGKRZSA-N	-1	3	361.398	2.144	20	30		FEEDHM
C[C@@H]1C[C@H]([N-]S(=O)(=O)Cc2cccc(C#N)c2)C(=O)N1c1ccccc1	ZINC000173685377	327276683	/nfs/dbraw/zinc/27/66/83/327276683.db2.gz	YTWRUTIVFPJDAL-KDOFPFPSSA-N	-1	3	369.446	2.172	20	30		FEEDHM
CCOc1ccc(C#N)cc1NC(=O)c1cc(S(=O)(=O)[N-]C)oc1C	ZINC000267547519	329337260	/nfs/dbraw/zinc/33/72/60/329337260.db2.gz	CLROMVSYCQIRIC-UHFFFAOYSA-N	-1	3	363.395	2.019	20	30		FEEDHM
CC[C@@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)[C@@H](O)C(F)(F)F	ZINC000274645550	329967491	/nfs/dbraw/zinc/96/74/91/329967491.db2.gz	AXBBULKLUBBGAH-MWLCHTKSSA-N	-1	3	356.753	2.192	20	30		FEEDHM
C#CCCCS(=O)(=O)[N-][C@@H](Cc1cccc(Cl)c1)C(=O)OCC	ZINC000805087144	674318045	/nfs/dbraw/zinc/31/80/45/674318045.db2.gz	KLFFUIDRAFDNRB-HNNXBMFYSA-N	-1	3	357.859	2.147	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCCC2(F)F)ccc1F	ZINC000805295162	674329915	/nfs/dbraw/zinc/32/99/15/674329915.db2.gz	XZBIULHNKOTGNN-ZDUSSCGKSA-N	-1	3	362.373	2.208	20	30		FEEDHM
N#C[C@@H](C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)c1ccc(C(F)(F)F)cn1	ZINC000155710765	545560031	/nfs/dbraw/zinc/56/00/31/545560031.db2.gz	XLTHCLSMKORCEK-GFCCVEGCSA-N	-1	3	374.278	2.230	20	30		FEEDHM
CCc1nc(CC[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)cs1	ZINC000157067568	545696086	/nfs/dbraw/zinc/69/60/86/545696086.db2.gz	XCQOYCKSWODVJX-UHFFFAOYSA-N	-1	3	366.424	2.006	20	30		FEEDHM
COc1cc(CC[N-]S(=O)(=O)c2cccc(Cl)c2C#N)ccc1O	ZINC000158388817	545854769	/nfs/dbraw/zinc/85/47/69/545854769.db2.gz	PPUDWSNUEILCPS-UHFFFAOYSA-N	-1	3	366.826	2.447	20	30		FEEDHM
N#CCCCCS(=O)(=O)[N-]C[C@@](O)(c1ccccc1)C(F)(F)F	ZINC000160885197	546081159	/nfs/dbraw/zinc/08/11/59/546081159.db2.gz	BWZRBSVJHPNKIR-CYBMUJFWSA-N	-1	3	350.362	2.050	20	30		FEEDHM
N#CC1(CS(=O)(=O)[N-][C@@H]2CCCN(c3ccccc3Cl)C2=O)CC1	ZINC000165672198	546153608	/nfs/dbraw/zinc/15/36/08/546153608.db2.gz	CQQCKNVVUVSCIE-CYBMUJFWSA-N	-1	3	367.858	2.059	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)CC(C)(C)OC)ccc1F	ZINC000173875473	546288266	/nfs/dbraw/zinc/28/82/66/546288266.db2.gz	QSBINANNHBLIDT-GFCCVEGCSA-N	-1	3	372.462	2.223	20	30		FEEDHM
N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]Cc1ncnn1-c1ccccc1	ZINC000480452291	561209488	/nfs/dbraw/zinc/20/94/88/561209488.db2.gz	ZVDPAIABJGMVCJ-UHFFFAOYSA-N	-1	3	373.825	2.271	20	30		FEEDHM
CCOC(=O)[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)[C@@H](C)CC	ZINC000180049388	547044630	/nfs/dbraw/zinc/04/46/30/547044630.db2.gz	SKUUNGPGGREQLK-IINYFYTJSA-N	-1	3	358.847	2.468	20	30		FEEDHM
N#CC1(c2ccc(C(=O)Nc3ccc(C[C@H]4NC(=O)[N-]C4=O)cc3)cc2)CC1	ZINC000181025333	547233222	/nfs/dbraw/zinc/23/32/22/547233222.db2.gz	ZHUWELMMCXEIOS-QGZVFWFLSA-N	-1	3	374.400	2.245	20	30		FEEDHM
C=C(C)CN(C)C(=O)c1cc(C2CC2)nc2c1c(=O)[n-]c(=O)n2CC(C)C	ZINC000183063026	547593989	/nfs/dbraw/zinc/59/39/89/547593989.db2.gz	UZVZLKJHQRJDTK-UHFFFAOYSA-N	-1	3	370.453	2.266	20	30		FEEDHM
C[C@H](CC[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)N1CCCCC1	ZINC000183293267	547634370	/nfs/dbraw/zinc/63/43/70/547634370.db2.gz	OQYDVIBZOFDLCN-GFCCVEGCSA-N	-1	3	357.426	2.379	20	30		FEEDHM
C=CC[C@@H](CO)NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C(C)(C)C)c1	ZINC000185802890	548037629	/nfs/dbraw/zinc/03/76/29/548037629.db2.gz	WRKZLAGBGSPHIH-LBPRGKRZSA-N	-1	3	374.890	2.084	20	30		FEEDHM
COC(=O)C1([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)CCCCC1	ZINC000186230264	548103443	/nfs/dbraw/zinc/10/34/43/548103443.db2.gz	SQGQQSGUPFRZPY-UHFFFAOYSA-N	-1	3	356.831	2.366	20	30		FEEDHM
CC[C@@H](CC#N)[N-]S(=O)(=O)c1cc(Br)cc2c1OCC2	ZINC000186424372	548133015	/nfs/dbraw/zinc/13/30/15/548133015.db2.gz	NYYYAYNSQSAPIG-NSHDSACASA-N	-1	3	359.245	2.355	20	30		FEEDHM
C=CCn1c(SCCCOC([O-])=NC(N)=O)nnc1-c1ccoc1C	ZINC000265016299	550004867	/nfs/dbraw/zinc/00/48/67/550004867.db2.gz	PYSFVOPCISDUBZ-UHFFFAOYSA-N	-1	3	365.415	2.320	20	30		FEEDHM
C=CCn1c(SCCCOC(=O)N=C(N)[O-])nnc1-c1ccoc1C	ZINC000265016299	550004870	/nfs/dbraw/zinc/00/48/70/550004870.db2.gz	PYSFVOPCISDUBZ-UHFFFAOYSA-N	-1	3	365.415	2.320	20	30		FEEDHM
C=CCn1c(SCCCOC(=O)[N-]C(N)=O)nnc1-c1ccoc1C	ZINC000265016299	550004872	/nfs/dbraw/zinc/00/48/72/550004872.db2.gz	PYSFVOPCISDUBZ-UHFFFAOYSA-N	-1	3	365.415	2.320	20	30		FEEDHM
C=C(Cl)CNS(=O)(=O)c1ccc([N-]S(=O)(=O)C(C)C)c(F)c1	ZINC000269748718	550222555	/nfs/dbraw/zinc/22/25/55/550222555.db2.gz	SMWPVTVZJORNFS-UHFFFAOYSA-N	-1	3	370.855	2.007	20	30		FEEDHM
C=CCCO[C@H](C)c1nc(-c2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)no1	ZINC000274043878	550520899	/nfs/dbraw/zinc/52/08/99/550520899.db2.gz	UPGWIIGZVHWKCE-ZMZPIMSZSA-N	-1	3	356.382	2.445	20	30		FEEDHM
C[C@H]1CCC[C@](C#N)([N-]S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)C1	ZINC000274760052	550552611	/nfs/dbraw/zinc/55/26/11/550552611.db2.gz	QRNKQVPSBAARME-GTNSWQLSSA-N	-1	3	365.430	2.461	20	30		FEEDHM
COC(=O)c1c(CC(C)C)csc1[N-]C(=O)C(=O)N(C)C[C@H](C)C#N	ZINC000275682885	550573703	/nfs/dbraw/zinc/57/37/03/550573703.db2.gz	LFOFCGDVERCXSE-LLVKDONJSA-N	-1	3	365.455	2.290	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1CCCCN1C1CC1	ZINC000277967955	550733946	/nfs/dbraw/zinc/73/39/46/550733946.db2.gz	PXKAVIFLRXCAOS-INIZCTEOSA-N	-1	3	356.470	2.341	20	30		FEEDHM
C=CCN1CC[C@@H](N(C)Cc2ccc(OC)c([O-])c2Br)C1=O	ZINC000281338050	551086214	/nfs/dbraw/zinc/08/62/14/551086214.db2.gz	SOEKMARKDGMQKC-GFCCVEGCSA-N	-1	3	369.259	2.382	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc2[nH]c(=O)n(C)c2c1	ZINC000282420049	551226002	/nfs/dbraw/zinc/22/60/02/551226002.db2.gz	FKMKHNNGQUJDOR-UHFFFAOYSA-N	-1	3	365.393	2.027	20	30		FEEDHM
CC(C)(C)[C@@H]1NC(=O)CC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1C#N	ZINC000285579211	551778058	/nfs/dbraw/zinc/77/80/58/551778058.db2.gz	WUDXKYFHXGOZNC-IUODEOHRSA-N	-1	3	369.874	2.183	20	30		FEEDHM
C=CCn1c(CC2CC2)nnc1N1CCN(C(=O)c2ccccc2[O-])CC1	ZINC000289851857	552389125	/nfs/dbraw/zinc/38/91/25/552389125.db2.gz	XXMQIRDDWRBUBC-UHFFFAOYSA-N	-1	3	367.453	2.085	20	30		FEEDHM
C=CCCCS(=O)(=O)[N-][C@@H](C(=O)OC)c1ccc(OC)c(Cl)c1	ZINC000292779111	552757949	/nfs/dbraw/zinc/75/79/49/552757949.db2.gz	XZTVYYYAXNQAHD-CQSZACIVSA-N	-1	3	361.847	2.448	20	30		FEEDHM
N#Cc1cccc(C2(NC(=O)CCn3[n-]c(=O)c4ccccc4c3=O)CC2)c1	ZINC000501867723	561607078	/nfs/dbraw/zinc/60/70/78/561607078.db2.gz	QGVTXFXXVIHBTB-UHFFFAOYSA-N	-1	3	374.400	2.169	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-][C@H](CO)c2ccc(F)cc2)c(Cl)c1	ZINC000503479770	561642421	/nfs/dbraw/zinc/64/24/21/561642421.db2.gz	SWSFZLRKAACNAI-CQSZACIVSA-N	-1	3	354.790	2.363	20	30		FEEDHM
CC[C@](C)(C#N)C(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1	ZINC000503689280	561646870	/nfs/dbraw/zinc/64/68/70/561646870.db2.gz	SIGSKLIYMWBDEH-CYBMUJFWSA-N	-1	3	363.361	2.406	20	30		FEEDHM
C[C@@](CO)([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)c1ccccc1	ZINC000322739424	553768608	/nfs/dbraw/zinc/76/86/08/553768608.db2.gz	ZSSNVYNFBZZARB-INIZCTEOSA-N	-1	3	350.827	2.398	20	30		FEEDHM
Cc1cc([N-]C(=O)[C@H](C)N2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)on1	ZINC000328666136	553804634	/nfs/dbraw/zinc/80/46/34/553804634.db2.gz	CTFSIVIZNYHYTO-WTOJCKNJSA-N	-1	3	365.393	2.305	20	30		FEEDHM
Cc1nc(C)c(CCC(=O)NC[C@@H]2CCC3(CCOCC3)[C@H]2O)c(=O)[n-]1	ZINC000328773563	553820081	/nfs/dbraw/zinc/82/00/81/553820081.db2.gz	RUJCLXKGCOZXNR-YOEHRIQHSA-N	-1	3	363.458	2.256	20	30		FEEDHM
C[C@@H](CC#N)N(C)S(=O)(=O)[N-][C@@H](C)c1nc(C2CCCCC2)no1	ZINC000330410014	554117675	/nfs/dbraw/zinc/11/76/75/554117675.db2.gz	JGJUNCUXALIHDG-RYUDHWBXSA-N	-1	3	355.464	2.247	20	30		FEEDHM
CO[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2cccc(Br)c2C#N)C1	ZINC000330675100	554155624	/nfs/dbraw/zinc/15/56/24/554155624.db2.gz	GWJMXLDCWYTISC-NXEZZACHSA-N	-1	3	359.245	2.167	20	30		FEEDHM
N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H]1CCOC2(CCOCC2)C1	ZINC000331391394	554256629	/nfs/dbraw/zinc/25/66/29/554256629.db2.gz	JJXALJWAKYLZGY-GFCCVEGCSA-N	-1	3	370.858	2.218	20	30		FEEDHM
CN(C[C@@H]1CCCN(C)[C@H]1c1ccnn1C)C(=O)c1ccc(C#N)c([O-])c1	ZINC000331736545	554318288	/nfs/dbraw/zinc/31/82/88/554318288.db2.gz	UAQVQOPVVUSBAF-QFBILLFUSA-N	-1	3	367.453	2.152	20	30		FEEDHM
C=CCN(CC=C)[C@H](CNC(=O)c1c[n-]c2c(cnn2C)c1=O)C(C)C	ZINC000512109279	561892572	/nfs/dbraw/zinc/89/25/72/561892572.db2.gz	IVNDSOLDKUWRKF-MRXNPFEDSA-N	-1	3	357.458	2.102	20	30		FEEDHM
N#Cc1ccc(C(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)cn1	ZINC000370695199	556942479	/nfs/dbraw/zinc/94/24/79/556942479.db2.gz	YFUBVPSDWQLSSK-UHFFFAOYSA-N	-1	3	350.378	2.150	20	30		FEEDHM
C[C@H](NC(=O)C[C@@H]1NC(=O)[N-]C1=O)c1ccc(-c2cccc(C#N)c2)cc1	ZINC000370697136	556942895	/nfs/dbraw/zinc/94/28/95/556942895.db2.gz	FIZAKCCZPMBSSN-SJCJKPOMSA-N	-1	3	362.389	2.001	20	30		FEEDHM
C[C@@H](NC(=O)C[C@@H]1NC(=O)[N-]C1=O)c1ccc(-c2cccc(C#N)c2)cc1	ZINC000370697131	556942935	/nfs/dbraw/zinc/94/29/35/556942935.db2.gz	FIZAKCCZPMBSSN-PXAZEXFGSA-N	-1	3	362.389	2.001	20	30		FEEDHM
CS(=O)(=O)[N-]c1c[nH]nc1[C@@H]1CCCN(Cc2ccccc2C#N)C1	ZINC000373126337	557634239	/nfs/dbraw/zinc/63/42/39/557634239.db2.gz	UHVLJJQPYAQMLR-OAHLLOKOSA-N	-1	3	359.455	2.032	20	30		FEEDHM
C#CCCCS(=O)(=O)[N-][C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O	ZINC000376268223	558150008	/nfs/dbraw/zinc/15/00/08/558150008.db2.gz	YXUKPTGFDZYDNR-AWEZNQCLSA-N	-1	3	374.384	2.144	20	30		FEEDHM
N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@@H]1C[C@H]2OCCC[C@@H]12	ZINC000376322065	558157789	/nfs/dbraw/zinc/15/77/89/558157789.db2.gz	LUMFXHXLULARQQ-ZWKOPEQDSA-N	-1	3	371.256	2.167	20	30		FEEDHM
N#Cc1cc(NC(=O)N2CC(S(=O)(=O)[N-]c3ccccc3)C2)ccc1F	ZINC000378586035	558589306	/nfs/dbraw/zinc/58/93/06/558589306.db2.gz	XVYJNEHWPQQVLI-UHFFFAOYSA-N	-1	3	374.397	2.355	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]Cc2cnn(Cc3ccccc3)c2)s1	ZINC000390387556	558610866	/nfs/dbraw/zinc/61/08/66/558610866.db2.gz	ABBUEWIRMMEPFD-UHFFFAOYSA-N	-1	3	358.448	2.343	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)CC1(C#N)CCCCC1)C(=O)N1CCCC[C@H]1C	ZINC000408229309	558658902	/nfs/dbraw/zinc/65/89/02/558658902.db2.gz	PRMIVNYNBOAEMW-CABCVRRESA-N	-1	3	355.504	2.169	20	30		FEEDHM
CC(C)(C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1cccnc1	ZINC000416627370	559325981	/nfs/dbraw/zinc/32/59/81/559325981.db2.gz	FFBFRXSOMVBPRQ-UHFFFAOYSA-N	-1	3	360.395	2.118	20	30		FEEDHM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C[C@H]1CC12CCSCC2	ZINC000420707637	559499538	/nfs/dbraw/zinc/49/95/38/559499538.db2.gz	OCJXHNZIQDVDHI-LLVKDONJSA-N	-1	3	367.452	2.278	20	30		FEEDHM
C=C(C)COc1cc(CN[C@@H](Cn2cc(C)cn2)C(=O)[O-])ccc1OC	ZINC000426721091	559740963	/nfs/dbraw/zinc/74/09/63/559740963.db2.gz	QYHGYIJRYDEBKI-INIZCTEOSA-N	-1	3	359.426	2.398	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-]CCCc1nc2c(s1)CCCC2	ZINC000428237568	559772022	/nfs/dbraw/zinc/77/20/22/559772022.db2.gz	KYYTXVIRTDIOLM-UHFFFAOYSA-N	-1	3	362.480	2.200	20	30		FEEDHM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccc(F)cc1	ZINC000433463393	559882025	/nfs/dbraw/zinc/88/20/25/559882025.db2.gz	QNOANLPLSVEBME-GXTWGEPZSA-N	-1	3	361.354	2.440	20	30		FEEDHM
C[C@@]1(c2cccc(NC(=O)C3(c4cccc(C#N)c4)CC3)c2)NC(=O)[N-]C1=O	ZINC000435063267	559915455	/nfs/dbraw/zinc/91/54/55/559915455.db2.gz	ANEJPRIGYYBSEY-FQEVSTJZSA-N	-1	3	374.400	2.283	20	30		FEEDHM
C=C(C)CS(=O)(=O)[N-][C@H]1CCN(c2cccc(Br)c2)C1=O	ZINC000435435947	559923045	/nfs/dbraw/zinc/92/30/45/559923045.db2.gz	CQVBHGLDCRYDTN-ZDUSSCGKSA-N	-1	3	373.272	2.050	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]CCc2ccc(-n3cccn3)cc2)s1	ZINC000435441275	559923245	/nfs/dbraw/zinc/92/32/45/559923245.db2.gz	DXDRSEWBOMBVIL-UHFFFAOYSA-N	-1	3	358.448	2.326	20	30		FEEDHM
C=C(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(F)cc(C(=O)OCC)c1	ZINC000435587393	559925570	/nfs/dbraw/zinc/92/55/70/559925570.db2.gz	CNHAQGWLYWWNMF-BLLLJJGKSA-N	-1	3	371.430	2.262	20	30		FEEDHM
C/C=C\C[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C(=O)OCC	ZINC000440096002	560004670	/nfs/dbraw/zinc/00/46/70/560004670.db2.gz	YCVXLVPKTBAKGY-DXTPNHAXSA-N	-1	3	356.831	2.388	20	30		FEEDHM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]Cc1ccc(F)cc1F	ZINC000443045463	560067424	/nfs/dbraw/zinc/06/74/24/560067424.db2.gz	HRWYSNMRJAJMDD-UHFFFAOYSA-N	-1	3	353.306	2.223	20	30		FEEDHM
CCCCOCCOCC[N-]S(=O)(=O)c1cccc(Cl)c1C#N	ZINC000443307521	560078811	/nfs/dbraw/zinc/07/88/11/560078811.db2.gz	KZHDHXWKKRQVOH-UHFFFAOYSA-N	-1	3	360.863	2.323	20	30		FEEDHM
N#Cc1nc(NCCCNC(=O)c2cccc([O-])c2)ccc1C(F)(F)F	ZINC000443514168	560086248	/nfs/dbraw/zinc/08/62/48/560086248.db2.gz	FJGSXJRYNOFRBU-UHFFFAOYSA-N	-1	3	364.327	2.910	20	30		FEEDHM
COC(=O)c1ccc(S(=O)(=O)[N-]Cc2cc(C#N)ccc2F)cc1F	ZINC000445062124	560127616	/nfs/dbraw/zinc/12/76/16/560127616.db2.gz	GANYQUAJKIVCBR-UHFFFAOYSA-N	-1	3	366.345	2.102	20	30		FEEDHM
N#Cc1cc(F)ccc1S(=O)(=O)[N-]Cc1ccc(OC(F)F)cn1	ZINC000447855697	560171304	/nfs/dbraw/zinc/17/13/04/560171304.db2.gz	UBSURGMSBHUKQE-UHFFFAOYSA-N	-1	3	357.313	2.172	20	30		FEEDHM
C=CCCCNC(=O)NCc1cccc(-c2nnc(C(=O)OCC)[n-]2)c1	ZINC000448378829	560186095	/nfs/dbraw/zinc/18/60/95/560186095.db2.gz	WPEMLAUFKGKDRA-UHFFFAOYSA-N	-1	3	357.414	2.414	20	30		FEEDHM
C=CCCCNC(=O)NCc1cccc(-c2n[n-]c(C(=O)OCC)n2)c1	ZINC000448378829	560186096	/nfs/dbraw/zinc/18/60/96/560186096.db2.gz	WPEMLAUFKGKDRA-UHFFFAOYSA-N	-1	3	357.414	2.414	20	30		FEEDHM
CC(C)(CC#N)CS(=O)(=O)[N-][C@@H](Cc1ccccc1)[C@@H](O)C(F)F	ZINC000451224606	560294057	/nfs/dbraw/zinc/29/40/57/560294057.db2.gz	DNRXWMMBZUZDPS-UONOGXRCSA-N	-1	3	360.426	2.083	20	30		FEEDHM
Cc1ccsc1[C@@H](CO)[N-]S(=O)(=O)Cc1ccc(F)cc1C#N	ZINC000451283027	560298046	/nfs/dbraw/zinc/29/80/46/560298046.db2.gz	DZPMAPMBXSWIAP-CQSZACIVSA-N	-1	3	354.428	2.220	20	30		FEEDHM
COC(=O)[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1C#N	ZINC000451834541	560331474	/nfs/dbraw/zinc/33/14/74/560331474.db2.gz	CHOXZUFRZLHFPS-OLZOCXBDSA-N	-1	3	356.831	2.222	20	30		FEEDHM
CC[C@@H](O)[C@@H](CC)[N-]S(=O)(=O)c1cccc(Br)c1C#N	ZINC000451976327	560341634	/nfs/dbraw/zinc/34/16/34/560341634.db2.gz	BEHJPMQQCNMPRI-VXGBXAGGSA-N	-1	3	361.261	2.149	20	30		FEEDHM
Cc1cc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc(C(N)=O)c1	ZINC000456171988	560509681	/nfs/dbraw/zinc/50/96/81/560509681.db2.gz	VPHGFAJCMDRQFQ-UHFFFAOYSA-N	-1	3	352.394	2.254	20	30		FEEDHM
C=CCC[C@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C(=O)OCC	ZINC000456635438	560526719	/nfs/dbraw/zinc/52/67/19/560526719.db2.gz	XFFVIUOMIPNHDT-INIZCTEOSA-N	-1	3	359.426	2.222	20	30		FEEDHM
C=CCOc1ccc(C(=O)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)cc1	ZINC000461612475	560776478	/nfs/dbraw/zinc/77/64/78/560776478.db2.gz	HIJCURDVVPBBNQ-UHFFFAOYSA-N	-1	3	353.378	2.400	20	30		FEEDHM
COc1cc(C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)ccc1[O-]	ZINC000464785167	560850749	/nfs/dbraw/zinc/85/07/49/560850749.db2.gz	MUDJXWGGUXYFPZ-UHFFFAOYSA-N	-1	3	355.369	2.374	20	30		FEEDHM
COC(=O)c1cnc(N(C)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)s1	ZINC000469451326	560955747	/nfs/dbraw/zinc/95/57/47/560955747.db2.gz	AEXZABOSVCBKEC-UHFFFAOYSA-N	-1	3	374.422	2.114	20	30		FEEDHM
N#CCCCOc1cccc(NC(=O)CNC(=O)c2cccc([O-])c2)c1	ZINC000471407474	561004045	/nfs/dbraw/zinc/00/40/45/561004045.db2.gz	QNQNMBMRQZPKCL-UHFFFAOYSA-N	-1	3	353.378	2.443	20	30		FEEDHM
COc1ccccc1C(=O)C[N-]S(=O)(=O)CC1(C#N)CCCCC1	ZINC000476202270	561113182	/nfs/dbraw/zinc/11/31/82/561113182.db2.gz	OXSUMXIRPJBYER-UHFFFAOYSA-N	-1	3	350.440	2.271	20	30		FEEDHM
CC(C)c1csc(C(C#N)=C([O-])c2cc(S(=O)(=O)N(C)C)c[nH]2)n1	ZINC000531091743	562434482	/nfs/dbraw/zinc/43/44/82/562434482.db2.gz	YCEBSRAEWFTVSP-LLVKDONJSA-N	-1	3	366.468	2.335	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1nnc(C(C)C)s1	ZINC000532085842	562466631	/nfs/dbraw/zinc/46/66/31/562466631.db2.gz	YUNPDCSTAUUYHW-UHFFFAOYSA-N	-1	3	359.455	2.500	20	30		FEEDHM
N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H](CO)Cc1ccccc1	ZINC000534407057	562533608	/nfs/dbraw/zinc/53/36/08/562533608.db2.gz	VTHWGGIHAWJGRO-AWEZNQCLSA-N	-1	3	364.854	2.341	20	30		FEEDHM
C[C@]1(c2ccc(-c3noc(Cc4ccc(C#N)cc4)n3)cc2)NC(=O)[N-]C1=O	ZINC000545532094	562628557	/nfs/dbraw/zinc/62/85/57/562628557.db2.gz	JKTJSQBOAMGITJ-HXUWFJFHSA-N	-1	3	373.372	2.254	20	30		FEEDHM
C[C@]1(c2ccc(-c3noc(-c4cc(C#N)cs4)n3)cc2)NC(=O)[N-]C1=O	ZINC000545533067	562628627	/nfs/dbraw/zinc/62/86/27/562628627.db2.gz	OILMZOLWABKJBR-QGZVFWFLSA-N	-1	3	365.374	2.391	20	30		FEEDHM
CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N(C)[C@@H]1CCC[C@@H]1C#N	ZINC000602073949	567916760	/nfs/dbraw/zinc/91/67/60/567916760.db2.gz	HOMSDTBMSYLSFD-VXGBXAGGSA-N	-1	3	363.439	2.322	20	30		FEEDHM
N#C[C@H](NC(=O)CNc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)cc1	ZINC000737676584	598825928	/nfs/dbraw/zinc/82/59/28/598825928.db2.gz	WVCBTDGQQKBDRF-HNNXBMFYSA-N	-1	3	367.800	2.313	20	30		FEEDHM
COc1ccc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1OC	ZINC000737071402	598914937	/nfs/dbraw/zinc/91/49/37/598914937.db2.gz	JCWHVLLQQZRTQA-UHFFFAOYSA-N	-1	3	350.338	2.008	20	30		FEEDHM
COc1ccc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1OC	ZINC000737071402	598914939	/nfs/dbraw/zinc/91/49/39/598914939.db2.gz	JCWHVLLQQZRTQA-UHFFFAOYSA-N	-1	3	350.338	2.008	20	30		FEEDHM
C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(C#N)c(C#N)c1	ZINC000736167016	598916078	/nfs/dbraw/zinc/91/60/78/598916078.db2.gz	CGVLVOVQTITKJT-NSHDSACASA-N	-1	3	359.349	2.016	20	30		FEEDHM
Cc1csc2nc(C)c(C=NNCc3ccc(-c4nn[n-]n4)cc3)n12	ZINC000822466947	607252903	/nfs/dbraw/zinc/25/29/03/607252903.db2.gz	GEDFGJIBVKRZAV-UHFFFAOYSA-N	-1	3	352.427	2.316	20	30		FEEDHM
N#Cc1cc(NC(=O)CCOc2ccc(F)cc2)ccc1-c1nnn[n-]1	ZINC000737705962	598925919	/nfs/dbraw/zinc/92/59/19/598925919.db2.gz	SMTDEJUUQPULCI-UHFFFAOYSA-N	-1	3	352.329	2.285	20	30		FEEDHM
N#Cc1cc(NC(=O)CCOc2ccc(F)cc2)ccc1-c1nn[n-]n1	ZINC000737705962	598925920	/nfs/dbraw/zinc/92/59/20/598925920.db2.gz	SMTDEJUUQPULCI-UHFFFAOYSA-N	-1	3	352.329	2.285	20	30		FEEDHM
COc1cccc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c1OC	ZINC000737120560	598926349	/nfs/dbraw/zinc/92/63/49/598926349.db2.gz	DZBSQAOIQRGGGE-UHFFFAOYSA-N	-1	3	350.338	2.008	20	30		FEEDHM
COc1cccc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c1OC	ZINC000737120560	598926350	/nfs/dbraw/zinc/92/63/50/598926350.db2.gz	DZBSQAOIQRGGGE-UHFFFAOYSA-N	-1	3	350.338	2.008	20	30		FEEDHM
N#Cc1cc(NC(=O)c2cnn(-c3ccccc3)c2)ccc1-c1nnn[n-]1	ZINC000737709772	598928659	/nfs/dbraw/zinc/92/86/59/598928659.db2.gz	NTMAUFDIHXAIFT-UHFFFAOYSA-N	-1	3	356.349	2.176	20	30		FEEDHM
N#Cc1cc(NC(=O)c2cnn(-c3ccccc3)c2)ccc1-c1nn[n-]n1	ZINC000737709772	598928661	/nfs/dbraw/zinc/92/86/61/598928661.db2.gz	NTMAUFDIHXAIFT-UHFFFAOYSA-N	-1	3	356.349	2.176	20	30		FEEDHM
COCCN(Cc1ccc(-c2nnn[n-]2)cc1)c1ncc(C#N)cc1Cl	ZINC000737001565	598939844	/nfs/dbraw/zinc/93/98/44/598939844.db2.gz	BRYKBVZSXDMURT-UHFFFAOYSA-N	-1	3	369.816	2.440	20	30		FEEDHM
COCCN(Cc1ccc(-c2nn[n-]n2)cc1)c1ncc(C#N)cc1Cl	ZINC000737001565	598939846	/nfs/dbraw/zinc/93/98/46/598939846.db2.gz	BRYKBVZSXDMURT-UHFFFAOYSA-N	-1	3	369.816	2.440	20	30		FEEDHM
Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N(CCC#N)c1ccccc1	ZINC000737220694	598950751	/nfs/dbraw/zinc/95/07/51/598950751.db2.gz	GJSROUZPLQOMKL-UHFFFAOYSA-N	-1	3	368.422	2.284	20	30		FEEDHM
Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N(CCC#N)c1ccccc1	ZINC000737220694	598950752	/nfs/dbraw/zinc/95/07/52/598950752.db2.gz	GJSROUZPLQOMKL-UHFFFAOYSA-N	-1	3	368.422	2.284	20	30		FEEDHM
c1csc(N2CCC(=NNCc3ccc(-c4nnn[n-]4)cc3)CC2)n1	ZINC000823815757	607254837	/nfs/dbraw/zinc/25/48/37/607254837.db2.gz	IMSXZYIBJNGVEU-UHFFFAOYSA-N	-1	3	354.443	2.069	20	30		FEEDHM
c1csc(N2CCC(=NNCc3ccc(-c4nn[n-]n4)cc3)CC2)n1	ZINC000823815757	607254838	/nfs/dbraw/zinc/25/48/38/607254838.db2.gz	IMSXZYIBJNGVEU-UHFFFAOYSA-N	-1	3	354.443	2.069	20	30		FEEDHM
Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N[C@H](C)c1ccc(C#N)cc1	ZINC000737223561	598999063	/nfs/dbraw/zinc/99/90/63/598999063.db2.gz	IPRWKEYPAVEJMZ-GFCCVEGCSA-N	-1	3	368.422	2.086	20	30		FEEDHM
Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N[C@H](C)c1ccc(C#N)cc1	ZINC000737223561	598999065	/nfs/dbraw/zinc/99/90/65/598999065.db2.gz	IPRWKEYPAVEJMZ-GFCCVEGCSA-N	-1	3	368.422	2.086	20	30		FEEDHM
C[C@H](C#N)CNC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1	ZINC000735502466	599029944	/nfs/dbraw/zinc/02/99/44/599029944.db2.gz	DWKYOJGCSFJGJW-CYBMUJFWSA-N	-1	3	362.393	2.335	20	30		FEEDHM
C[C@H](C#N)CNC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1	ZINC000735502466	599029946	/nfs/dbraw/zinc/02/99/46/599029946.db2.gz	DWKYOJGCSFJGJW-CYBMUJFWSA-N	-1	3	362.393	2.335	20	30		FEEDHM
COCCOCC(C)N=Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1	ZINC000737005006	599033003	/nfs/dbraw/zinc/03/30/03/599033003.db2.gz	DQGVLRPUBWWEHH-UHFFFAOYSA-N	-1	3	358.324	2.336	20	30		FEEDHM
COCCOCC(C)N=Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1	ZINC000737005006	599033007	/nfs/dbraw/zinc/03/30/07/599033007.db2.gz	DQGVLRPUBWWEHH-UHFFFAOYSA-N	-1	3	358.324	2.336	20	30		FEEDHM
COC(=O)[C@H](Sc1cc(C#N)ccn1)c1ccc(-c2nnn[n-]2)cc1	ZINC000736899457	599112394	/nfs/dbraw/zinc/11/23/94/599112394.db2.gz	AIMAMMPUXVATIP-CQSZACIVSA-N	-1	3	352.379	2.140	20	30		FEEDHM
COC(=O)[C@H](Sc1cc(C#N)ccn1)c1ccc(-c2nn[n-]n2)cc1	ZINC000736899457	599112397	/nfs/dbraw/zinc/11/23/97/599112397.db2.gz	AIMAMMPUXVATIP-CQSZACIVSA-N	-1	3	352.379	2.140	20	30		FEEDHM
COC(=O)c1ccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)o1	ZINC000821669053	599113126	/nfs/dbraw/zinc/11/31/26/599113126.db2.gz	WDXPSBVTFVJTRU-PKNBQFBNSA-N	-1	3	350.334	2.459	20	30		FEEDHM
COC(=O)c1ccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)o1	ZINC000821669053	599113129	/nfs/dbraw/zinc/11/31/29/599113129.db2.gz	WDXPSBVTFVJTRU-PKNBQFBNSA-N	-1	3	350.334	2.459	20	30		FEEDHM
N#Cc1ccc(-c2nnc(COC(=O)c3cccc(-c4nnn[n-]4)c3)o2)cc1	ZINC000737709820	599151953	/nfs/dbraw/zinc/15/19/53/599151953.db2.gz	NVWSKULGLJOOEB-UHFFFAOYSA-N	-1	3	373.332	2.145	20	30		FEEDHM
N#Cc1ccc(-c2nnc(COC(=O)c3cccc(-c4nn[n-]n4)c3)o2)cc1	ZINC000737709820	599151955	/nfs/dbraw/zinc/15/19/55/599151955.db2.gz	NVWSKULGLJOOEB-UHFFFAOYSA-N	-1	3	373.332	2.145	20	30		FEEDHM
COc1ccc(C=C2N=C(c3ccc(-c4nnn[n-]4)cc3)OC2=O)cc1C#N	ZINC000737085011	599175241	/nfs/dbraw/zinc/17/52/41/599175241.db2.gz	XJNAQLTZJZHSHD-DHDCSXOGSA-N	-1	3	372.344	2.091	20	30		FEEDHM
COc1ccc(C=C2N=C(c3ccc(-c4nn[n-]n4)cc3)OC2=O)cc1C#N	ZINC000737085011	599175242	/nfs/dbraw/zinc/17/52/42/599175242.db2.gz	XJNAQLTZJZHSHD-DHDCSXOGSA-N	-1	3	372.344	2.091	20	30		FEEDHM
Cc1nc2ccccc2n1CC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1	ZINC000737490473	599197958	/nfs/dbraw/zinc/19/79/58/599197958.db2.gz	VFYXDPMVHMRTJE-UHFFFAOYSA-N	-1	3	358.365	2.035	20	30		FEEDHM
Cc1nc2ccccc2n1CC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1	ZINC000737490473	599197961	/nfs/dbraw/zinc/19/79/61/599197961.db2.gz	VFYXDPMVHMRTJE-UHFFFAOYSA-N	-1	3	358.365	2.035	20	30		FEEDHM
C=CCNc1ncc(C(=O)OCCOc2ccc(-c3nn[n-]n3)cc2)s1	ZINC000819750271	607263300	/nfs/dbraw/zinc/26/33/00/607263300.db2.gz	BXCBFGXIDZDGDB-UHFFFAOYSA-N	-1	3	372.410	2.157	20	30		FEEDHM
C#CCOc1ccc(F)cc1NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl	ZINC000819709825	607301222	/nfs/dbraw/zinc/30/12/22/607301222.db2.gz	QSCCTISPLFDPEV-UHFFFAOYSA-N	-1	3	372.747	2.319	20	30		FEEDHM
C#CCOc1ccc(F)cc1NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl	ZINC000819709825	607301223	/nfs/dbraw/zinc/30/12/23/607301223.db2.gz	QSCCTISPLFDPEV-UHFFFAOYSA-N	-1	3	372.747	2.319	20	30		FEEDHM
C[C@H](C#N)COC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1	ZINC000819856791	607323070	/nfs/dbraw/zinc/32/30/70/607323070.db2.gz	MAHSOSKDRQZWJJ-LLVKDONJSA-N	-1	3	353.338	2.355	20	30		FEEDHM
N#Cc1ccccc1N1CCN(c2c(F)cc(-c3nnn[n-]3)cc2F)CC1	ZINC000737727018	598244854	/nfs/dbraw/zinc/24/48/54/598244854.db2.gz	BOUNHZHCMPPBDU-UHFFFAOYSA-N	-1	3	367.363	2.343	20	30		FEEDHM
N#Cc1ccccc1N1CCN(c2c(F)cc(-c3nn[n-]n3)cc2F)CC1	ZINC000737727018	598244856	/nfs/dbraw/zinc/24/48/56/598244856.db2.gz	BOUNHZHCMPPBDU-UHFFFAOYSA-N	-1	3	367.363	2.343	20	30		FEEDHM
CN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F	ZINC000736816920	598328501	/nfs/dbraw/zinc/32/85/01/598328501.db2.gz	PCNXMACESZBWBJ-UHFFFAOYSA-N	-1	3	365.372	2.219	20	30		FEEDHM
CN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F	ZINC000736816920	598328503	/nfs/dbraw/zinc/32/85/03/598328503.db2.gz	PCNXMACESZBWBJ-UHFFFAOYSA-N	-1	3	365.372	2.219	20	30		FEEDHM
C[C@H](C#N)CN(C)C(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1	ZINC000735503705	598329890	/nfs/dbraw/zinc/32/98/90/598329890.db2.gz	LNGXSNAHSDQJLQ-GFCCVEGCSA-N	-1	3	366.381	2.270	20	30		FEEDHM
C[C@H](C#N)CN(C)C(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1	ZINC000735503705	598329892	/nfs/dbraw/zinc/32/98/92/598329892.db2.gz	LNGXSNAHSDQJLQ-GFCCVEGCSA-N	-1	3	366.381	2.270	20	30		FEEDHM
C[C@H](CC#N)NC(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1	ZINC000735963514	598374868	/nfs/dbraw/zinc/37/48/68/598374868.db2.gz	GHGGSZHMJKORES-SNVBAGLBSA-N	-1	3	368.426	2.338	20	30		FEEDHM
C[C@H](CC#N)NC(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1	ZINC000735963514	598374870	/nfs/dbraw/zinc/37/48/70/598374870.db2.gz	GHGGSZHMJKORES-SNVBAGLBSA-N	-1	3	368.426	2.338	20	30		FEEDHM
N#Cc1nc(N)n(Cc2ccc(OCc3ccccc3)cc2)c1-c1nnn[n-]1	ZINC000737728589	598440044	/nfs/dbraw/zinc/44/00/44/598440044.db2.gz	RVQMUABSUQHIBG-UHFFFAOYSA-N	-1	3	372.392	2.144	20	30		FEEDHM
N#Cc1nc(N)n(Cc2ccc(OCc3ccccc3)cc2)c1-c1nn[n-]n1	ZINC000737728589	598440047	/nfs/dbraw/zinc/44/00/47/598440047.db2.gz	RVQMUABSUQHIBG-UHFFFAOYSA-N	-1	3	372.392	2.144	20	30		FEEDHM
N#Cc1ccc(NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)c(F)c1	ZINC000737719639	598459229	/nfs/dbraw/zinc/45/92/29/598459229.db2.gz	TXVMSECSYMAVMS-UHFFFAOYSA-N	-1	3	364.388	2.353	20	30		FEEDHM
N#Cc1ccc(NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)c(F)c1	ZINC000737719639	598459230	/nfs/dbraw/zinc/45/92/30/598459230.db2.gz	TXVMSECSYMAVMS-UHFFFAOYSA-N	-1	3	364.388	2.353	20	30		FEEDHM
N#Cc1ccc(N2CCC[C@H]2C(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1	ZINC000609168651	598570022	/nfs/dbraw/zinc/57/00/22/598570022.db2.gz	ALGYAYQZZQKSBU-KRWDZBQOSA-N	-1	3	359.393	2.346	20	30		FEEDHM
N#Cc1ccc(N2CCC[C@H]2C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1	ZINC000609168651	598570025	/nfs/dbraw/zinc/57/00/25/598570025.db2.gz	ALGYAYQZZQKSBU-KRWDZBQOSA-N	-1	3	359.393	2.346	20	30		FEEDHM
N#Cc1ccc(CNC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)cc1	ZINC000737712298	598577723	/nfs/dbraw/zinc/57/77/23/598577723.db2.gz	PCLLTWCPGBUDLD-SFHVURJKSA-N	-1	3	373.420	2.024	20	30		FEEDHM
N#CCCN(c1ccc(F)cc1)S(=O)(=O)c1cccc(-c2nnn[n-]2)c1	ZINC000737693627	598627554	/nfs/dbraw/zinc/62/75/54/598627554.db2.gz	HMPAWWSSNZHPID-UHFFFAOYSA-N	-1	3	372.385	2.115	20	30		FEEDHM
N#CCCN(c1ccc(F)cc1)S(=O)(=O)c1cccc(-c2nn[n-]n2)c1	ZINC000737693627	598627555	/nfs/dbraw/zinc/62/75/55/598627555.db2.gz	HMPAWWSSNZHPID-UHFFFAOYSA-N	-1	3	372.385	2.115	20	30		FEEDHM
C[C@@H](C#N)CNC(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1	ZINC000735502187	598691378	/nfs/dbraw/zinc/69/13/78/598691378.db2.gz	BTMXUPZMSVSUFG-ZDUSSCGKSA-N	-1	3	362.393	2.335	20	30		FEEDHM
C[C@@H](C#N)CNC(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1	ZINC000735502187	598691380	/nfs/dbraw/zinc/69/13/80/598691380.db2.gz	BTMXUPZMSVSUFG-ZDUSSCGKSA-N	-1	3	362.393	2.335	20	30		FEEDHM
C#Cc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)cn1	ZINC000735389764	598736842	/nfs/dbraw/zinc/73/68/42/598736842.db2.gz	INWOXOLPYXOBCN-UHFFFAOYSA-N	-1	3	356.292	2.097	20	30		FEEDHM
C#Cc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)cn1	ZINC000735389764	598736843	/nfs/dbraw/zinc/73/68/43/598736843.db2.gz	INWOXOLPYXOBCN-UHFFFAOYSA-N	-1	3	356.292	2.097	20	30		FEEDHM
C#CCCS(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)Nc1ccccc1	ZINC000808291072	674450418	/nfs/dbraw/zinc/45/04/18/674450418.db2.gz	DNTRZLTWPLNVIW-SFHVURJKSA-N	-1	3	356.447	2.179	20	30		FEEDHM
COc1ccc(C#N)cc1Cn1c(C)nnc1-c1cccc(-c2nnn[n-]2)c1	ZINC000821770824	607379608	/nfs/dbraw/zinc/37/96/08/607379608.db2.gz	XSVFNOKCPBDNEC-UHFFFAOYSA-N	-1	3	372.392	2.362	20	30		FEEDHM
COc1ccc(C#N)cc1Cn1c(C)nnc1-c1cccc(-c2nn[n-]n2)c1	ZINC000821770824	607379611	/nfs/dbraw/zinc/37/96/11/607379611.db2.gz	XSVFNOKCPBDNEC-UHFFFAOYSA-N	-1	3	372.392	2.362	20	30		FEEDHM
O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1ccc2c(c1)OCO2	ZINC000737810224	599462117	/nfs/dbraw/zinc/46/21/17/599462117.db2.gz	YKDXYUAKQJGUCB-ARJAWSKDSA-N	-1	3	360.333	2.139	20	30		FEEDHM
O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1ccc2c(c1)OCO2	ZINC000737810224	599462119	/nfs/dbraw/zinc/46/21/19/599462119.db2.gz	YKDXYUAKQJGUCB-ARJAWSKDSA-N	-1	3	360.333	2.139	20	30		FEEDHM
C[C@H](C#N)C(=O)Nc1nnc(SCc2ccc(-c3nn[n-]n3)cc2)s1	ZINC000735506029	599491592	/nfs/dbraw/zinc/49/15/92/599491592.db2.gz	YPXDJBQTGDQRIU-MRVPVSSYSA-N	-1	3	372.439	2.109	20	30		FEEDHM
Cc1oc(NC(=O)CN(CCC#N)CCC(C)C)c(-c2nnn[n-]2)c1C	ZINC000822549214	607454505	/nfs/dbraw/zinc/45/45/05/607454505.db2.gz	WCICCQLMJSNTPH-UHFFFAOYSA-N	-1	3	359.434	2.277	20	30		FEEDHM
COCC(=O)Nc1cccc(CN[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1	ZINC000737734319	600592053	/nfs/dbraw/zinc/59/20/53/600592053.db2.gz	XMDLHJCBXPQCPG-GOSISDBHSA-N	-1	3	353.378	2.059	20	30		FEEDHM
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(C(=O)[O-])n(C)c1	ZINC000830604391	602373969	/nfs/dbraw/zinc/37/39/69/602373969.db2.gz	NGXNHLSSKUCXKI-UHFFFAOYSA-N	-1	3	369.425	2.191	20	30		FEEDHM
CC(C)[C@@](C)(CNC(=O)[O-])NCC(=O)Nc1cc(Cl)ccc1C#N	ZINC000738771729	603135018	/nfs/dbraw/zinc/13/50/18/603135018.db2.gz	MPULNKSJPHTXOO-MRXNPFEDSA-N	-1	3	352.822	2.422	20	30		FEEDHM
C[C@@H]1CCCN(CCC(=O)Nc2sccc2C#N)[C@H]1CNC(=O)[O-]	ZINC000825925187	603715145	/nfs/dbraw/zinc/71/51/45/603715145.db2.gz	NLROTYITWUZUTA-YPMHNXCESA-N	-1	3	350.444	2.316	20	30		FEEDHM
CN(C(=O)[O-])[C@H]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)C1	ZINC000827890937	603844909	/nfs/dbraw/zinc/84/49/09/603844909.db2.gz	XIWQWKRTVGSMAZ-NSHDSACASA-N	-1	3	362.455	2.121	20	30		FEEDHM
N#Cc1cccc(CN2CCC[C@@H](CNC(=O)[C@@H]3CCCN3C(=O)[O-])C2)c1	ZINC000833978882	605517264	/nfs/dbraw/zinc/51/72/64/605517264.db2.gz	ZVQCRARSAWWUDD-ROUUACIJSA-N	-1	3	370.453	2.029	20	30		FEEDHM
C=C(C)CN1CCC(NC(=O)NCc2ccc(C(=O)[O-])c(C3CC3)n2)CC1	ZINC000833369179	605628276	/nfs/dbraw/zinc/62/82/76/605628276.db2.gz	ISNKHMYDPKHYBX-UHFFFAOYSA-N	-1	3	372.469	2.497	20	30		FEEDHM
C#C[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)co1)c1ccc(Cl)cc1	ZINC000810100632	674531568	/nfs/dbraw/zinc/53/15/68/674531568.db2.gz	OLMVFBATVDLVAU-ZDUSSCGKSA-N	-1	3	353.783	2.372	20	30		FEEDHM
CO[C@H](C)c1nc(CSc2nc(N)c(-c3nnn[n-]3)cc2C#N)cs1	ZINC000821675647	606171133	/nfs/dbraw/zinc/17/11/33/606171133.db2.gz	QDINMTNUYMZBQX-SSDOTTSWSA-N	-1	3	374.455	2.172	20	30		FEEDHM
CO[C@H](C)c1nc(CSc2nc(N)c(-c3nn[n-]n3)cc2C#N)cs1	ZINC000821675647	606171134	/nfs/dbraw/zinc/17/11/34/606171134.db2.gz	QDINMTNUYMZBQX-SSDOTTSWSA-N	-1	3	374.455	2.172	20	30		FEEDHM
C#Cc1cccc(N[C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)c1	ZINC000819709575	606244443	/nfs/dbraw/zinc/24/44/43/606244443.db2.gz	JWYAZCZUBBZJMY-CQSZACIVSA-N	-1	3	350.407	2.127	20	30		FEEDHM
C#Cc1cccc(N[C@@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)c1	ZINC000819709575	606244444	/nfs/dbraw/zinc/24/44/44/606244444.db2.gz	JWYAZCZUBBZJMY-CQSZACIVSA-N	-1	3	350.407	2.127	20	30		FEEDHM
COC(=O)[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)Cc1ccc(C#N)cc1	ZINC000821650512	606315795	/nfs/dbraw/zinc/31/57/95/606315795.db2.gz	TWIFKXFHYMILHD-KRWDZBQOSA-N	-1	3	362.393	2.084	20	30		FEEDHM
COC(=O)[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)Cc1ccc(C#N)cc1	ZINC000821650512	606315797	/nfs/dbraw/zinc/31/57/97/606315797.db2.gz	TWIFKXFHYMILHD-KRWDZBQOSA-N	-1	3	362.393	2.084	20	30		FEEDHM
Cn1cc(-c2nnn[n-]2)cc1C(=O)OCc1cc(Cl)ccc1OCC#N	ZINC000822659470	606385084	/nfs/dbraw/zinc/38/50/84/606385084.db2.gz	LXEFLCWLGFKXKS-UHFFFAOYSA-N	-1	3	372.772	2.118	20	30		FEEDHM
Cn1cc(-c2nn[n-]n2)cc1C(=O)OCc1cc(Cl)ccc1OCC#N	ZINC000822659470	606385085	/nfs/dbraw/zinc/38/50/85/606385085.db2.gz	LXEFLCWLGFKXKS-UHFFFAOYSA-N	-1	3	372.772	2.118	20	30		FEEDHM
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)cn1	ZINC000822801640	606447329	/nfs/dbraw/zinc/44/73/29/606447329.db2.gz	LOHVAWIYPIUUPM-RDJZCZTQSA-N	-1	3	359.393	2.174	20	30		FEEDHM
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)cn1	ZINC000822801640	606447331	/nfs/dbraw/zinc/44/73/31/606447331.db2.gz	LOHVAWIYPIUUPM-RDJZCZTQSA-N	-1	3	359.393	2.174	20	30		FEEDHM
N#Cc1ccc(-n2nccc2NC(=O)c2cc(-c3nnn[n-]3)cs2)cc1	ZINC000822822922	606511555	/nfs/dbraw/zinc/51/15/55/606511555.db2.gz	ICFTYGBUTAZEAN-UHFFFAOYSA-N	-1	3	362.378	2.238	20	30		FEEDHM
N#Cc1ccc(-n2nccc2NC(=O)c2cc(-c3nn[n-]n3)cs2)cc1	ZINC000822822922	606511556	/nfs/dbraw/zinc/51/15/56/606511556.db2.gz	ICFTYGBUTAZEAN-UHFFFAOYSA-N	-1	3	362.378	2.238	20	30		FEEDHM
N#Cc1c(COC(=O)c2cc(-c3nnn[n-]3)cs2)cn2ccccc12	ZINC000822818527	606561097	/nfs/dbraw/zinc/56/10/97/606561097.db2.gz	BQQBHDBNTHYNBO-UHFFFAOYSA-N	-1	3	350.363	2.410	20	30		FEEDHM
N#Cc1c(COC(=O)c2cc(-c3nn[n-]n3)cs2)cn2ccccc12	ZINC000822818527	606561099	/nfs/dbraw/zinc/56/10/99/606561099.db2.gz	BQQBHDBNTHYNBO-UHFFFAOYSA-N	-1	3	350.363	2.410	20	30		FEEDHM
N#Cc1c[nH]c(C(=O)OCc2ccc(-c3nnn[n-]3)cc2OC(F)F)c1	ZINC000822819698	606561392	/nfs/dbraw/zinc/56/13/92/606561392.db2.gz	ZFPOTNDIJWCXKJ-UHFFFAOYSA-N	-1	3	360.280	2.025	20	30		FEEDHM
N#Cc1c[nH]c(C(=O)OCc2ccc(-c3nn[n-]n3)cc2OC(F)F)c1	ZINC000822819698	606561394	/nfs/dbraw/zinc/56/13/94/606561394.db2.gz	ZFPOTNDIJWCXKJ-UHFFFAOYSA-N	-1	3	360.280	2.025	20	30		FEEDHM
N#Cc1cccc(NC(=O)COc2cc(Cl)ccc2-c2nnn[n-]2)c1	ZINC000822837702	606781532	/nfs/dbraw/zinc/78/15/32/606781532.db2.gz	SMBCSPUTSCGNPV-UHFFFAOYSA-N	-1	3	354.757	2.409	20	30		FEEDHM
N#Cc1cccc(NC(=O)COc2cc(Cl)ccc2-c2nn[n-]n2)c1	ZINC000822837702	606781534	/nfs/dbraw/zinc/78/15/34/606781534.db2.gz	SMBCSPUTSCGNPV-UHFFFAOYSA-N	-1	3	354.757	2.409	20	30		FEEDHM
CCCCCNC(=S)NN=Cc1c[nH]c2ccc(-c3nnn[n-]3)cc12	ZINC000821055730	607147300	/nfs/dbraw/zinc/14/73/00/607147300.db2.gz	FJFIPNFLFDHQAD-UHFFFAOYSA-N	-1	3	356.459	2.336	20	30		FEEDHM
CCCCCNC(=S)NN=Cc1c[nH]c2ccc(-c3nn[n-]n3)cc12	ZINC000821055730	607147301	/nfs/dbraw/zinc/14/73/01/607147301.db2.gz	FJFIPNFLFDHQAD-UHFFFAOYSA-N	-1	3	356.459	2.336	20	30		FEEDHM
N#Cc1ccc(NC(=O)COc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1	ZINC000822829835	607242244	/nfs/dbraw/zinc/24/22/44/607242244.db2.gz	LKAOIGZGEGQHTJ-UHFFFAOYSA-N	-1	3	354.757	2.409	20	30		FEEDHM
N#Cc1ccc(OC[C@@H](O)COc2cc(Cl)ccc2-c2nnn[n-]2)cc1	ZINC000826385923	607878256	/nfs/dbraw/zinc/87/82/56/607878256.db2.gz	HPAULFKVWOHAAN-CYBMUJFWSA-N	-1	3	371.784	2.210	20	30		FEEDHM
N#Cc1ccc(OC[C@@H](O)COc2cc(Cl)ccc2-c2nn[n-]n2)cc1	ZINC000826385923	607878257	/nfs/dbraw/zinc/87/82/57/607878257.db2.gz	HPAULFKVWOHAAN-CYBMUJFWSA-N	-1	3	371.784	2.210	20	30		FEEDHM
N#Cc1cc(-c2nnn[n-]2)c(SCc2csc(C3CC3)n2)nc1N	ZINC000826383587	607966127	/nfs/dbraw/zinc/96/61/27/607966127.db2.gz	HQURNCRZECJMRH-UHFFFAOYSA-N	-1	3	356.440	2.342	20	30		FEEDHM
N#Cc1cc(-c2nn[n-]n2)c(SCc2csc(C3CC3)n2)nc1N	ZINC000826383587	607966128	/nfs/dbraw/zinc/96/61/28/607966128.db2.gz	HQURNCRZECJMRH-UHFFFAOYSA-N	-1	3	356.440	2.342	20	30		FEEDHM
C=CCN(CC=C)C(=O)CSCc1ccc(OC)c(-c2nnn[n-]2)c1	ZINC000823903518	607983888	/nfs/dbraw/zinc/98/38/88/607983888.db2.gz	CGQVXDXYOVGBOU-UHFFFAOYSA-N	-1	3	359.455	2.309	20	30		FEEDHM
C=CCN(CC=C)C(=O)CSCc1ccc(OC)c(-c2nn[n-]n2)c1	ZINC000823903518	607983889	/nfs/dbraw/zinc/98/38/89/607983889.db2.gz	CGQVXDXYOVGBOU-UHFFFAOYSA-N	-1	3	359.455	2.309	20	30		FEEDHM
CCN(C[C@H](C)C#N)[C@@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2	ZINC000825399263	608154578	/nfs/dbraw/zinc/15/45/78/608154578.db2.gz	NUNBHRCHUMORBH-MNOVXSKESA-N	-1	3	373.486	2.225	20	30		FEEDHM
CCN(C[C@H](C)C#N)[C@@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2	ZINC000825399263	608154579	/nfs/dbraw/zinc/15/45/79/608154579.db2.gz	NUNBHRCHUMORBH-MNOVXSKESA-N	-1	3	373.486	2.225	20	30		FEEDHM
CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)c1ccc(C#N)s1	ZINC000825792976	608178964	/nfs/dbraw/zinc/17/89/64/608178964.db2.gz	HRHUEWQWNSCUAO-UHFFFAOYSA-N	-1	3	364.394	2.422	20	30		FEEDHM
CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)c1ccc(C#N)s1	ZINC000825792976	608178965	/nfs/dbraw/zinc/17/89/65/608178965.db2.gz	HRHUEWQWNSCUAO-UHFFFAOYSA-N	-1	3	364.394	2.422	20	30		FEEDHM
CCN(Cc1c(-c2nnn[n-]2)c(C)nn1-c1ccccc1)C[C@H](C)C#N	ZINC000825428482	608312010	/nfs/dbraw/zinc/31/20/10/608312010.db2.gz	OSFDZBAYLADWNJ-CYBMUJFWSA-N	-1	3	350.430	2.342	20	30		FEEDHM
Cc1cc(NC(=S)Nc2ccccc2-c2nnn[n-]2)nn1CCC#N	ZINC000826270885	608475622	/nfs/dbraw/zinc/47/56/22/608475622.db2.gz	SFXVDOUFSGHJAN-UHFFFAOYSA-N	-1	3	353.415	2.094	20	30		FEEDHM
Cc1cc(NC(=S)Nc2ccccc2-c2nn[n-]n2)nn1CCC#N	ZINC000826270885	608475623	/nfs/dbraw/zinc/47/56/23/608475623.db2.gz	SFXVDOUFSGHJAN-UHFFFAOYSA-N	-1	3	353.415	2.094	20	30		FEEDHM
N#C[C@@H]1CN(Cc2cc(-c3nnn[n-]3)cs2)CCN1Cc1ccccc1	ZINC000826380713	608496531	/nfs/dbraw/zinc/49/65/31/608496531.db2.gz	KDJDHCYXZGRPCY-MRXNPFEDSA-N	-1	3	365.466	2.138	20	30		FEEDHM
N#C[C@@H]1CN(Cc2cc(-c3nn[n-]n3)cs2)CCN1Cc1ccccc1	ZINC000826380713	608496532	/nfs/dbraw/zinc/49/65/32/608496532.db2.gz	KDJDHCYXZGRPCY-MRXNPFEDSA-N	-1	3	365.466	2.138	20	30		FEEDHM
Cc1ccc(F)c2c1C(=NNc1cc(-c3nnn[n-]3)cc(Cl)n1)C(=O)N2	ZINC000826289750	608539090	/nfs/dbraw/zinc/53/90/90/608539090.db2.gz	LKLGXLIGFLCFPO-UHFFFAOYSA-N	-1	3	372.751	2.131	20	30		FEEDHM
Cc1ccc(F)c2c1C(=NNc1cc(-c3nn[n-]n3)cc(Cl)n1)C(=O)N2	ZINC000826289750	608539092	/nfs/dbraw/zinc/53/90/92/608539092.db2.gz	LKLGXLIGFLCFPO-UHFFFAOYSA-N	-1	3	372.751	2.131	20	30		FEEDHM
COCCN(Cc1cc(C#N)cs1)Cc1ccc(-c2nn[n-]n2)cc1	ZINC000826159144	608567270	/nfs/dbraw/zinc/56/72/70/608567270.db2.gz	SJRYGIXLFACTEL-UHFFFAOYSA-N	-1	3	354.439	2.448	20	30		FEEDHM
Cc1nn(-c2ccccc2)c(CN2CCC(C)(C#N)CC2)c1-c1nnn[n-]1	ZINC000826332252	609143484	/nfs/dbraw/zinc/14/34/84/609143484.db2.gz	ONBSFEWNNTYWFM-UHFFFAOYSA-N	-1	3	362.441	2.487	20	30		FEEDHM
C#CC[C@H](OC(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1)C1CC1	ZINC000823838227	609150760	/nfs/dbraw/zinc/15/07/60/609150760.db2.gz	MLTXKLOWGUZONC-KRWDZBQOSA-N	-1	3	362.393	2.320	20	30		FEEDHM
C#CC[C@H](OC(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1)C1CC1	ZINC000823838227	609150761	/nfs/dbraw/zinc/15/07/61/609150761.db2.gz	MLTXKLOWGUZONC-KRWDZBQOSA-N	-1	3	362.393	2.320	20	30		FEEDHM
CCNc1ccc(C#N)cc1NCC(=O)Nc1ccc(-c2nnn[n-]2)cc1	ZINC000825480576	609178812	/nfs/dbraw/zinc/17/88/12/609178812.db2.gz	BYUXJLXSTTURDB-UHFFFAOYSA-N	-1	3	362.397	2.221	20	30		FEEDHM
CCNc1ccc(C#N)cc1NCC(=O)Nc1ccc(-c2nn[n-]n2)cc1	ZINC000825480576	609178813	/nfs/dbraw/zinc/17/88/13/609178813.db2.gz	BYUXJLXSTTURDB-UHFFFAOYSA-N	-1	3	362.397	2.221	20	30		FEEDHM
COC[C@H](C)NN=Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1	ZINC000826150202	609306141	/nfs/dbraw/zinc/30/61/41/609306141.db2.gz	YTXPHJOCDBKMAY-AWEZNQCLSA-N	-1	3	366.425	2.404	20	30		FEEDHM
COC[C@H](C)NN=Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1	ZINC000826150202	609306142	/nfs/dbraw/zinc/30/61/42/609306142.db2.gz	YTXPHJOCDBKMAY-AWEZNQCLSA-N	-1	3	366.425	2.404	20	30		FEEDHM
N#Cc1cc(NC(=O)c2cc(OCC(F)F)ccn2)ccc1-c1nnn[n-]1	ZINC000826384308	609321047	/nfs/dbraw/zinc/32/10/47/609321047.db2.gz	PZLRYRKSSATBHB-UHFFFAOYSA-N	-1	3	371.307	2.030	20	30		FEEDHM
N#Cc1cc(NC(=O)c2cc(OCC(F)F)ccn2)ccc1-c1nn[n-]n1	ZINC000826384308	609321049	/nfs/dbraw/zinc/32/10/49/609321049.db2.gz	PZLRYRKSSATBHB-UHFFFAOYSA-N	-1	3	371.307	2.030	20	30		FEEDHM
COC(=O)COc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1	ZINC000826138388	609441863	/nfs/dbraw/zinc/44/18/63/609441863.db2.gz	SDYLZEWQLXKMSK-WCIBSUBMSA-N	-1	3	364.361	2.315	20	30		FEEDHM
COC(=O)COc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1	ZINC000826138388	609441865	/nfs/dbraw/zinc/44/18/65/609441865.db2.gz	SDYLZEWQLXKMSK-WCIBSUBMSA-N	-1	3	364.361	2.315	20	30		FEEDHM
O=C1Nc2ccc(F)cc2C1=NNc1ccc(-c2nnn[n-]2)c(Cl)c1	ZINC000826506104	609472146	/nfs/dbraw/zinc/47/21/46/609472146.db2.gz	MRCIOVHQVPVSDC-UHFFFAOYSA-N	-1	3	357.736	2.428	20	30		FEEDHM
O=C1Nc2ccc(F)cc2C1=NNc1ccc(-c2nn[n-]n2)c(Cl)c1	ZINC000826506104	609472148	/nfs/dbraw/zinc/47/21/48/609472148.db2.gz	MRCIOVHQVPVSDC-UHFFFAOYSA-N	-1	3	357.736	2.428	20	30		FEEDHM
Cc1ccnc(N2CCCN(c3ccccc3C#N)CC2)c1-c1nnn[n-]1	ZINC000826310632	609535152	/nfs/dbraw/zinc/53/51/52/609535152.db2.gz	CAESTGZQMGOMNI-UHFFFAOYSA-N	-1	3	360.425	2.159	20	30		FEEDHM
Cc1ccnc(N2CCCN(c3ccccc3C#N)CC2)c1-c1nn[n-]n1	ZINC000826310632	609535154	/nfs/dbraw/zinc/53/51/54/609535154.db2.gz	CAESTGZQMGOMNI-UHFFFAOYSA-N	-1	3	360.425	2.159	20	30		FEEDHM
O=C(OCC#Cc1ccccc1Cl)[C@H](O)c1ccc(-c2nnn[n-]2)cc1	ZINC000826462725	609635084	/nfs/dbraw/zinc/63/50/84/609635084.db2.gz	GUSRBZIZJQLMQS-MRXNPFEDSA-N	-1	3	368.780	2.148	20	30		FEEDHM
O=C(OCC#Cc1ccccc1Cl)[C@H](O)c1ccc(-c2nn[n-]n2)cc1	ZINC000826462725	609635085	/nfs/dbraw/zinc/63/50/85/609635085.db2.gz	GUSRBZIZJQLMQS-MRXNPFEDSA-N	-1	3	368.780	2.148	20	30		FEEDHM
C=CCCCCOC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000811014287	674574156	/nfs/dbraw/zinc/57/41/56/674574156.db2.gz	SQIDZOFXNKDASA-CYBMUJFWSA-N	-1	3	350.440	2.403	20	30		FEEDHM
CC(=N[N-]S(=O)(=O)CCc1ccccc1)[C@H](C)NC(=O)OC(C)(C)C	ZINC000811642892	674618018	/nfs/dbraw/zinc/61/80/18/674618018.db2.gz	KBTZZQFHWVPFNK-ZDUSSCGKSA-N	-1	3	369.487	2.438	20	30		FEEDHM
C#C[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)oc1CC)c1ccc(F)cc1	ZINC000812525788	674682572	/nfs/dbraw/zinc/68/25/72/674682572.db2.gz	NAQFQZATJVDHJU-ZDUSSCGKSA-N	-1	3	365.382	2.421	20	30		FEEDHM
COC(=O)[C@H](CCSC)OC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C	ZINC000814023922	674811344	/nfs/dbraw/zinc/81/13/44/674811344.db2.gz	BZMXFBYIPCPJNT-AWEZNQCLSA-N	-1	3	366.439	2.046	20	30		FEEDHM
C#CC[N-]S(=O)(=O)c1cc(Br)ccc1Br	ZINC000018941076	670027631	/nfs/dbraw/zinc/02/76/31/670027631.db2.gz	WUFBTDZDMPGOPO-UHFFFAOYSA-N	-1	3	353.035	2.123	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(C#N)c2)ccc1F	ZINC000029000804	670094206	/nfs/dbraw/zinc/09/42/06/670094206.db2.gz	XBHASQQGQBDARR-UHFFFAOYSA-N	-1	3	359.382	2.414	20	30		FEEDHM
N#CCC[N-]S(=O)(=O)c1cc(Br)ccc1Br	ZINC000040413685	670141546	/nfs/dbraw/zinc/14/15/46/670141546.db2.gz	ZMAKBRGIGRCTQC-UHFFFAOYSA-N	-1	3	368.050	2.404	20	30		FEEDHM
C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H]1CCCN([O-])C1=O	ZINC000816756047	675077958	/nfs/dbraw/zinc/07/79/58/675077958.db2.gz	OQUIABIHSCHGEC-LBPRGKRZSA-N	-1	3	358.316	2.380	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H](OC)C(C)(C)C)ccc1F	ZINC000073215876	670500808	/nfs/dbraw/zinc/50/08/08/670500808.db2.gz	KMPCVKTXPCNYOV-OAHLLOKOSA-N	-1	3	372.462	2.081	20	30		FEEDHM
CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)O[C@@H](C#N)C2CC2)ccc1F	ZINC000080412590	670624310	/nfs/dbraw/zinc/62/43/10/670624310.db2.gz	OMUNOLUSEZBQAD-ZDUSSCGKSA-N	-1	3	354.403	2.361	20	30		FEEDHM
C=CCNC(=O)c1cccc(S(=O)(=O)[N-][C@H](C2CC2)C(F)(F)F)c1	ZINC000565914586	675160696	/nfs/dbraw/zinc/16/06/96/675160696.db2.gz	MGYAEVUCAZFPBQ-CYBMUJFWSA-N	-1	3	362.373	2.222	20	30		FEEDHM
CCOCc1nc([C@H](C)[N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)no1	ZINC000574265917	671219986	/nfs/dbraw/zinc/21/99/86/671219986.db2.gz	MCGGRCQKXSXAGN-VIFPVBQESA-N	-1	3	370.818	2.171	20	30		FEEDHM
COC(=O)c1ccc(C[N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)o1	ZINC000576374767	671364324	/nfs/dbraw/zinc/36/43/24/671364324.db2.gz	GKEARIMLFPQYNC-UHFFFAOYSA-N	-1	3	354.771	2.070	20	30		FEEDHM
N#CCC1(CS(=O)(=O)[N-][C@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1	ZINC000581172583	671869763	/nfs/dbraw/zinc/86/97/63/671869763.db2.gz	CEGCFNQHLKVPBC-AWEZNQCLSA-N	-1	3	367.858	2.059	20	30		FEEDHM
N#CCCCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br	ZINC000173117904	672348271	/nfs/dbraw/zinc/34/82/71/672348271.db2.gz	SDRLZDUULARUKM-UHFFFAOYSA-N	-1	3	362.205	2.329	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCS[C@@H](CC)C2)ccc1F	ZINC000174789356	672363462	/nfs/dbraw/zinc/36/34/62/672363462.db2.gz	ZGHRPVXRYCBJEU-ZDUSSCGKSA-N	-1	3	372.487	2.258	20	30		FEEDHM
Cc1ncc(S(=O)(=O)[N-]C2(c3cccc(C#N)c3)CCOCC2)s1	ZINC000594860737	673168034	/nfs/dbraw/zinc/16/80/34/673168034.db2.gz	DLLDNOSWVSIHNO-UHFFFAOYSA-N	-1	3	363.464	2.307	20	30		FEEDHM
C#Cc1ccc(C(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)nc1	ZINC000728861543	673213258	/nfs/dbraw/zinc/21/32/58/673213258.db2.gz	NJFDZELRNJWJLN-UHFFFAOYSA-N	-1	3	359.407	2.085	20	30		FEEDHM
CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OC[C@@H]1C[C@@H]1C	ZINC000729093998	673222897	/nfs/dbraw/zinc/22/28/97/673222897.db2.gz	ZIHLABZNWACHAO-YDHLFZDLSA-N	-1	3	364.467	2.339	20	30		FEEDHM
CCOc1nnc(COC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)s1	ZINC000733422483	673416208	/nfs/dbraw/zinc/41/62/08/673416208.db2.gz	ULCZRUUWIUWIGB-UHFFFAOYSA-N	-1	3	362.411	2.202	20	30		FEEDHM
C=CC[C@H](CO)C[N-]S(=O)(=O)c1cccc(Br)c1F	ZINC000543394131	673644594	/nfs/dbraw/zinc/64/45/94/673644594.db2.gz	NZXGMDGOXJRUJQ-VIFPVBQESA-N	-1	3	352.225	2.051	20	30		FEEDHM
C#CCSCC[N-]S(=O)(=O)c1sc(C)cc1Br	ZINC000742302008	673720548	/nfs/dbraw/zinc/72/05/48/673720548.db2.gz	RDPGQBQFGVAVAC-UHFFFAOYSA-N	-1	3	354.316	2.464	20	30		FEEDHM
CCN(CC(C)C)C(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000742528708	673730005	/nfs/dbraw/zinc/73/00/05/673730005.db2.gz	ZIBUAYHBNDJEGH-CYBMUJFWSA-N	-1	3	351.472	2.008	20	30		FEEDHM
C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1cccc(C#N)c1	ZINC000743811766	673773121	/nfs/dbraw/zinc/77/31/21/673773121.db2.gz	DCIDSSQNDMGHCH-LLVKDONJSA-N	-1	3	359.407	2.126	20	30		FEEDHM
CC(C)[C@H]([N-]S(=O)(=O)Cc1ccc(CC#N)cc1)[C@H](O)C(F)(F)F	ZINC000601410465	673857506	/nfs/dbraw/zinc/85/75/06/673857506.db2.gz	MQKFLBZQNQBMMT-KBPBESRZSA-N	-1	3	364.389	2.120	20	30		FEEDHM
CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N1C[C@H](C)[C@@H]1C	ZINC000818460139	675219833	/nfs/dbraw/zinc/21/98/33/675219833.db2.gz	BURGNCMDRSHBOO-YDHLFZDLSA-N	-1	3	363.483	2.151	20	30		FEEDHM
CC(C)(C(=O)N[C@@H]1CCN([O-])C1=O)[C@@H](O)c1cc(Cl)cc(Cl)c1	ZINC000820127675	675337938	/nfs/dbraw/zinc/33/79/38/675337938.db2.gz	ONFMQXGNTJYZPH-NEPJUHHUSA-N	-1	3	361.225	2.159	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCCO3)cn1	ZINC000604571256	675806416	/nfs/dbraw/zinc/80/64/16/675806416.db2.gz	TUTQTJOVJBUVSW-UHFFFAOYSA-N	-1	3	351.771	2.179	20	30		FEEDHM
CC(C)(C)c1nnc(C[N-]S(=O)(=O)c2cccc(CC#N)c2)s1	ZINC000619490733	676380806	/nfs/dbraw/zinc/38/08/06/676380806.db2.gz	DOQURAXOACTUCF-UHFFFAOYSA-N	-1	3	350.469	2.380	20	30		FEEDHM
C=C[C@H](C(=O)OC)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1	ZINC000619718992	676392180	/nfs/dbraw/zinc/39/21/80/676392180.db2.gz	MBSXTSWFLXUVEO-CQSZACIVSA-N	-1	3	352.818	2.424	20	30		FEEDHM
CC#CC[C@H](CO)[N-]S(=O)(=O)c1cc(Cl)ccc1Br	ZINC000645884381	677274135	/nfs/dbraw/zinc/27/41/35/677274135.db2.gz	DCAPZEXDSNQXMT-SNVBAGLBSA-N	-1	3	366.664	2.155	20	30		FEEDHM
CCCC[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OCCSC	ZINC000839224356	680745590	/nfs/dbraw/zinc/74/55/90/680745590.db2.gz	SEQCQEWVJMLCOS-CYBMUJFWSA-N	-1	3	370.496	2.190	20	30		FEEDHM
C#CCOc1ccc([C@@H](C)OC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C)cc1	ZINC000764634824	680817483	/nfs/dbraw/zinc/81/74/83/680817483.db2.gz	WEDIHVSVQIDKEF-CJNGLKHVSA-N	-1	3	367.467	2.267	20	30		FEEDHM
C[C@]1(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC1(Cl)Cl	ZINC000832147280	680102085	/nfs/dbraw/zinc/10/20/85/680102085.db2.gz	FNOKDXOOKNBCNR-LLVKDONJSA-N	-1	3	364.210	2.329	20	30		FEEDHM
CC(C)C1(CNC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)CC1	ZINC000753319686	680285680	/nfs/dbraw/zinc/28/56/80/680285680.db2.gz	JESNNLKGWNVUJY-CYBMUJFWSA-N	-1	3	363.483	2.056	20	30		FEEDHM
C#CC[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C)c1)c1ccccc1	ZINC000757577669	680526512	/nfs/dbraw/zinc/52/65/12/680526512.db2.gz	IOCCOYUTLCEDPB-MRXNPFEDSA-N	-1	3	360.410	2.228	20	30		FEEDHM
C=CCC1(NC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)CCCCC1	ZINC000836957726	680534316	/nfs/dbraw/zinc/53/43/16/680534316.db2.gz	XLPFCMDUXNTHRG-UHFFFAOYSA-N	-1	3	361.467	2.120	20	30		FEEDHM
C=CCO[N-]C(=O)CCCS(=O)(=O)c1ccc(Br)cc1	ZINC000837045909	680546161	/nfs/dbraw/zinc/54/61/61/680546161.db2.gz	BCYUNNVYBKQXQL-UHFFFAOYSA-N	-1	3	362.245	2.237	20	30		FEEDHM
CCOC(=O)[C@H]1CCC(=N[N-]S(=O)(=O)Cc2ccccc2)C[C@H]1C	ZINC000758115640	680556342	/nfs/dbraw/zinc/55/63/42/680556342.db2.gz	GXCXDJIPPKRLRW-CJNGLKHVSA-N	-1	3	352.456	2.461	20	30		FEEDHM
Cc1ncc(CO)c(/C=N\CCOc2ccc(C(F)(F)F)cn2)c1[O-]	ZINC000760212920	680679950	/nfs/dbraw/zinc/67/99/50/680679950.db2.gz	VEXUZVIZAUWYBX-ZBKNUEDVSA-N	-1	3	355.316	2.500	20	30		FEEDHM
C#C[C@H](OC(=O)CS(=O)(=O)[N-]c1ccc(OC(C)C)cc1)C1CC1	ZINC000767522896	680915135	/nfs/dbraw/zinc/91/51/35/680915135.db2.gz	XTYVUJZIMYRZBE-INIZCTEOSA-N	-1	3	351.424	2.171	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)OCCOCC2CCC2)ccc1F	ZINC000842063781	680924547	/nfs/dbraw/zinc/92/45/47/680924547.db2.gz	FPHQJHHYAUMLMO-UHFFFAOYSA-N	-1	3	371.430	2.264	20	30		FEEDHM
CC(C)Oc1ccc([N-]S(=O)(=O)CC(=O)OCC2(C#N)CCC2)cc1	ZINC000768092392	680937780	/nfs/dbraw/zinc/93/77/80/680937780.db2.gz	YDFPNKDZSARMBX-UHFFFAOYSA-N	-1	3	366.439	2.453	20	30		FEEDHM
C[C@H](CC(=O)N[C@H](C)CCC1CC1)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000769645487	680990151	/nfs/dbraw/zinc/99/01/51/680990151.db2.gz	OBYOLBKSCGZLBD-CHWSQXEVSA-N	-1	3	363.483	2.199	20	30		FEEDHM
C#CC[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccccc1	ZINC000770131167	681006699	/nfs/dbraw/zinc/00/66/99/681006699.db2.gz	GVHZEJMRYMHPCD-INIZCTEOSA-N	-1	3	358.419	2.258	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)NC[C@H](C)CC(F)F)ccc1F	ZINC000843634415	681012793	/nfs/dbraw/zinc/01/27/93/681012793.db2.gz	VPIBEZVSGRRBHH-SNVBAGLBSA-N	-1	3	364.389	2.311	20	30		FEEDHM
CC(C)C(NC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21)C(C)C	ZINC000771745296	681067706	/nfs/dbraw/zinc/06/77/06/681067706.db2.gz	AYVVQAVOMYUEDB-ZDUSSCGKSA-N	-1	3	365.499	2.301	20	30		FEEDHM
C#C[C@H]([N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl)[C@@H]1CCCO1	ZINC000773054002	681122806	/nfs/dbraw/zinc/12/28/06/681122806.db2.gz	RTYWNAHCPXYRIR-JQWIXIFHSA-N	-1	3	358.803	2.016	20	30		FEEDHM
C=C[C@@H](C)O[N-]C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1	ZINC000846547592	681257936	/nfs/dbraw/zinc/25/79/36/681257936.db2.gz	BACDWRAIBNPYKN-CABCVRRESA-N	-1	3	352.456	2.018	20	30		FEEDHM
COc1ccc(-c2nc(C)c(C(=O)N[C@H]3CCCN([O-])C3=O)s2)cc1	ZINC000848138689	681478770	/nfs/dbraw/zinc/47/87/70/681478770.db2.gz	SIXKJJJEBMZBRK-ZDUSSCGKSA-N	-1	3	361.423	2.237	20	30		FEEDHM
C=C(C)[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(C(=O)OC)cc(C)c1F	ZINC000848453935	681547895	/nfs/dbraw/zinc/54/78/95/681547895.db2.gz	UQBNZSDTOUXMEL-LRDDRELGSA-N	-1	3	371.430	2.180	20	30		FEEDHM
C[N-]S(=O)(=O)c1cc(C(=O)OCc2ccc(Cl)cc2C#N)c(C)o1	ZINC000780497745	681834100	/nfs/dbraw/zinc/83/41/00/681834100.db2.gz	YLYOVQPKBFHREM-UHFFFAOYSA-N	-1	3	368.798	2.378	20	30		FEEDHM
CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1	ZINC000917752713	685534407	/nfs/dbraw/zinc/53/44/07/685534407.db2.gz	BOWMWGWSDADABI-UHFFFAOYSA-N	-1	3	365.436	2.121	20	30		FEEDHM
CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)O[C@H](C)C(F)F	ZINC000786523041	682383429	/nfs/dbraw/zinc/38/34/29/682383429.db2.gz	YTKAGBSQOKYUAU-PWSUYJOCSA-N	-1	3	374.409	2.337	20	30		FEEDHM
Cc1cc(S(=O)(=O)[N-]CCNc2ccc(C#N)cn2)sc1Cl	ZINC000788878561	682561625	/nfs/dbraw/zinc/56/16/25/682561625.db2.gz	WLCWPQOIEYXTPV-UHFFFAOYSA-N	-1	3	356.860	2.367	20	30		FEEDHM
CC(C)C[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OCC1(C)CC1	ZINC000790808188	682703323	/nfs/dbraw/zinc/70/33/23/682703323.db2.gz	PUDLWHUCZAXXEC-CQSZACIVSA-N	-1	3	364.467	2.483	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)NC[C@H]2CC[C@@H](C)C2)ccc1F	ZINC000794253845	682949936	/nfs/dbraw/zinc/94/99/36/682949936.db2.gz	XLLYCJDCAQZQJA-OLZOCXBDSA-N	-1	3	354.447	2.456	20	30		FEEDHM
CNS(=O)(=O)c1cccc(C(=O)/C=C\c2c(F)ccc([O-])c2F)c1	ZINC000794938443	683004681	/nfs/dbraw/zinc/00/46/81/683004681.db2.gz	PMHVXUVMUOYZMK-ALCCZGGFSA-N	-1	3	353.346	2.475	20	30		FEEDHM
CC(=N[N-]S(=O)(=O)Cc1ccccc1)c1ccc(-n2cncn2)cc1	ZINC000920383338	683338296	/nfs/dbraw/zinc/33/82/96/683338296.db2.gz	JIJBUSVMTRCWOF-UHFFFAOYSA-N	-1	3	355.423	2.111	20	30		FEEDHM
CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H](C#N)C2)ccc1F	ZINC000928228944	683416898	/nfs/dbraw/zinc/41/68/98/683416898.db2.gz	LKVYLBYJBBYXKC-LBPRGKRZSA-N	-1	3	367.446	2.278	20	30		FEEDHM
Cc1cc(NC(=O)N[C@H]2CCCN([O-])C2=O)ccc1N1CCSCC1	ZINC000878523285	686601437	/nfs/dbraw/zinc/60/14/37/686601437.db2.gz	CKMWGOLNTADDIR-AWEZNQCLSA-N	-1	3	364.471	2.050	20	30		FEEDHM
C=CC[C@H]1CCN1C(=O)C1([N-]S(=O)(=O)c2c(C)noc2C)CCCC1	ZINC000890559704	688936933	/nfs/dbraw/zinc/93/69/33/688936933.db2.gz	OYJPHYBXGXGXSP-AWEZNQCLSA-N	-1	3	367.471	2.060	20	30		FEEDHM
CCCCN([O-])C(=O)[C@@](C)(Cc1ccc(OC)c(OC)c1)NC(C)=O	ZINC000904214579	691013727	/nfs/dbraw/zinc/01/37/27/691013727.db2.gz	DWVMFUSYLUHXTP-GOSISDBHSA-N	-1	3	352.431	2.159	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)c1c(C#N)sc2ccccc21)[C@H](O)C(F)(F)F	ZINC000907317066	691450193	/nfs/dbraw/zinc/45/01/93/691450193.db2.gz	TWRDXNRZFWHYHK-KRTXAFLBSA-N	-1	3	364.370	2.363	20	30		FEEDHM
CCO[C@]12CCC[C@@]1([N-]S(=O)(=O)Cc1ccc(C#N)cc1)CCO2	ZINC000908028082	691601640	/nfs/dbraw/zinc/60/16/40/691601640.db2.gz	LWXCBQULTFBNTQ-SJORKVTESA-N	-1	3	350.440	2.053	20	30		FEEDHM
C=CCOCCCC(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1	ZINC001263627261	939828065	/nfs/dbraw/zinc/82/80/65/939828065.db2.gz	FZXWHKDWNXISQN-FQEVSTJZSA-N	-1	3	360.454	2.205	20	30		FEEDHM
Cc1nc(C)c(CC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)c(=O)[n-]1	ZINC000512108753	538969379	/nfs/dbraw/zinc/96/93/79/538969379.db2.gz	HWRHHQNEUVYRNG-UHFFFAOYSA-N	-1	3	366.356	2.177	20	30		FEEDHM
Cc1[n-][nH]c(=O)c1CCNc1nc2c(c(C#N)c1C#N)CCCCCC2	ZINC000530528219	539993604	/nfs/dbraw/zinc/99/36/04/539993604.db2.gz	LIAJNMIIGORPLA-ZDUSSCGKSA-N	-1	3	350.426	2.408	20	30		FEEDHM
O=C(CSc1nnnn1C1CCCC1)Nc1nnc(-c2ccccn2)[n-]1	ZINC000053525801	540540865	/nfs/dbraw/zinc/54/08/65/540540865.db2.gz	PEFLPZHHDZITBD-UHFFFAOYSA-N	-1	3	371.430	2.349	20	30		FEEDHM
O=C(CSc1nnnn1C1CCCC1)Nc1nc(-c2ccccn2)n[n-]1	ZINC000053525801	540540867	/nfs/dbraw/zinc/54/08/67/540540867.db2.gz	PEFLPZHHDZITBD-UHFFFAOYSA-N	-1	3	371.430	2.349	20	30		FEEDHM
O=C(CSc1nnnn1C1CCCC1)Nc1n[n-]c(-c2ccccn2)n1	ZINC000053525801	540540870	/nfs/dbraw/zinc/54/08/70/540540870.db2.gz	PEFLPZHHDZITBD-UHFFFAOYSA-N	-1	3	371.430	2.349	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccnn2C(C)C)ccc1F	ZINC000068235596	541566991	/nfs/dbraw/zinc/56/69/91/541566991.db2.gz	HPOJBOXOULNWTF-UHFFFAOYSA-N	-1	3	366.418	2.320	20	30		FEEDHM
COC(=O)c1cc(S(=O)(=O)N(CCC#N)c2ccccc2)ccc1[O-]	ZINC000068722219	541622887	/nfs/dbraw/zinc/62/28/87/541622887.db2.gz	KZWPXPBAJFKYQZ-UHFFFAOYSA-N	-1	3	360.391	2.288	20	30		FEEDHM
CSc1[n-]c(=O)c(C(=O)N2CCC[C@@H]2CN2CCCCC2)cc1C#N	ZINC000069490207	541690230	/nfs/dbraw/zinc/69/02/30/541690230.db2.gz	YFDDUKDWRLETAR-CQSZACIVSA-N	-1	3	360.483	2.471	20	30		FEEDHM
COc1cccc(CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1OC	ZINC000074375884	542076693	/nfs/dbraw/zinc/07/66/93/542076693.db2.gz	CONQBGMKVDOOIK-UHFFFAOYSA-N	-1	3	369.421	2.130	20	30		FEEDHM
CCN(CCC#N)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1	ZINC000084408905	542713819	/nfs/dbraw/zinc/71/38/19/542713819.db2.gz	OMVKYSRTXPHIFP-UHFFFAOYSA-N	-1	3	364.402	2.330	20	30		FEEDHM
CC[C@H](C)[C@H]([N-]S(C)(=O)=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1	ZINC000114233557	543508829	/nfs/dbraw/zinc/50/88/29/543508829.db2.gz	ISUVIYKWDMKCQP-WFASDCNBSA-N	-1	3	351.472	2.390	20	30		FEEDHM
CCCOc1ccc(/C=N/C[C@@H]2CCC[C@H]2NS(C)(=O)=O)c([O-])c1	ZINC000129371359	544108774	/nfs/dbraw/zinc/10/87/74/544108774.db2.gz	IPVRNEBLJFEVPW-KLFQZFQVSA-N	-1	3	354.472	2.318	20	30		FEEDHM
C=CCNS(=O)(=O)c1cccc(C(=O)Nc2cccc([O-])c2F)c1	ZINC000129661868	544122161	/nfs/dbraw/zinc/12/21/61/544122161.db2.gz	VHTKHZZNWXXVAG-UHFFFAOYSA-N	-1	3	350.371	2.248	20	30		FEEDHM
C=C(Cl)C[N-]S(=O)(=O)c1cc(OC)c(OC)cc1Br	ZINC000134851736	544323916	/nfs/dbraw/zinc/32/39/16/544323916.db2.gz	ADJPEPNHGFBQLZ-UHFFFAOYSA-N	-1	3	370.652	2.497	20	30		FEEDHM
COC(=O)c1ccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1F	ZINC000136766352	544378769	/nfs/dbraw/zinc/37/87/69/544378769.db2.gz	HRMBMZKWMJOPOT-UHFFFAOYSA-N	-1	3	371.368	2.360	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]Cc2ccccc2Cn2cccn2)c(F)c1	ZINC000151036908	544498108	/nfs/dbraw/zinc/49/81/08/544498108.db2.gz	QGLFWVYBXDLPRV-UHFFFAOYSA-N	-1	3	370.409	2.421	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc(N3CCCC3)nc2)c(F)c1	ZINC000151049645	544500177	/nfs/dbraw/zinc/50/01/77/544500177.db2.gz	LNSQDHVLAGBFNW-UHFFFAOYSA-N	-1	3	360.414	2.171	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]Cc2cccc(Cn3ccnc3)c2)c(F)c1	ZINC000151059853	544501159	/nfs/dbraw/zinc/50/11/59/544501159.db2.gz	JMSDYVYLRRAKST-UHFFFAOYSA-N	-1	3	370.409	2.421	20	30		FEEDHM
COc1ccc(OCCC[N-]S(=O)(=O)c2ccc(C#N)cc2F)cc1	ZINC000151101122	544505118	/nfs/dbraw/zinc/50/51/18/544505118.db2.gz	PCUAYRFDNQMNRT-UHFFFAOYSA-N	-1	3	364.398	2.453	20	30		FEEDHM
C=C[C@H](C)[N-]S(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2	ZINC000152728423	544688595	/nfs/dbraw/zinc/68/85/95/544688595.db2.gz	RDDJOHOQUVLRSJ-QMMMGPOBSA-N	-1	3	359.245	2.187	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)CC1(O)CCCCCC1	ZINC000186945838	327992386	/nfs/dbraw/zinc/99/23/86/327992386.db2.gz	ITSAHCRBYMCUJV-UHFFFAOYSA-N	-1	3	359.470	2.340	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-]Cc1ccc(Br)cc1	ZINC000232462607	328488093	/nfs/dbraw/zinc/48/80/93/328488093.db2.gz	LJKKEZNHVICMFK-UHFFFAOYSA-N	-1	3	352.213	2.194	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)c1cn(-c2ccccc2)nn1	ZINC000126603341	326492009	/nfs/dbraw/zinc/49/20/09/326492009.db2.gz	QVLBMGJGDUJWKV-GFCCVEGCSA-N	-1	3	371.397	2.318	20	30		FEEDHM
Cc1ccc([C@@H]2CN(C(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)CCO2)o1	ZINC000133691654	326613208	/nfs/dbraw/zinc/61/32/08/326613208.db2.gz	UPDADUUVDPKFEG-SFHVURJKSA-N	-1	3	369.421	2.298	20	30		FEEDHM
N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]Cc1cccnc1-n1cccn1	ZINC000178510561	327589638	/nfs/dbraw/zinc/58/96/38/327589638.db2.gz	CWJFIKXHIWQVKP-UHFFFAOYSA-N	-1	3	373.825	2.271	20	30		FEEDHM
COC(=O)[C@H]1CC12CCN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)CC2	ZINC000265086696	329089354	/nfs/dbraw/zinc/08/93/54/329089354.db2.gz	SWMJFKJCCWIVOU-MRXNPFEDSA-N	-1	3	371.437	2.010	20	30		FEEDHM
N#Cc1ccc(N2CCC[C@H]([N-]S(=O)(=O)c3cccs3)C2=O)cc1	ZINC000272394033	329777335	/nfs/dbraw/zinc/77/73/35/329777335.db2.gz	IVXNFLREZZZHRO-AWEZNQCLSA-N	-1	3	361.448	2.094	20	30		FEEDHM
C[C@@H]1CCCC[C@H]1OCC[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000156514696	545632614	/nfs/dbraw/zinc/63/26/14/545632614.db2.gz	GXZKJPNDQGIYQI-IUODEOHRSA-N	-1	3	367.427	2.340	20	30		FEEDHM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1C[C@@H]1c1cccc(F)c1	ZINC000156833293	545667816	/nfs/dbraw/zinc/66/78/16/545667816.db2.gz	IXYOROLRXFSVCQ-TZMCWYRMSA-N	-1	3	361.354	2.440	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCC3(CCC3)C2)ccc1F	ZINC000158047138	545815424	/nfs/dbraw/zinc/81/54/24/545815424.db2.gz	NZPHKKVPCLMAOV-UHFFFAOYSA-N	-1	3	352.431	2.306	20	30		FEEDHM
CC[C@@H](CC#N)NC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1	ZINC000158635542	545879869	/nfs/dbraw/zinc/87/98/69/545879869.db2.gz	JXKSTTILVOHUHE-JTQLQIEISA-N	-1	3	354.407	2.080	20	30		FEEDHM
C=CCN(CCOC)C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1	ZINC000478426823	561166566	/nfs/dbraw/zinc/16/65/66/561166566.db2.gz	KLKBXGFAOCVAFC-UHFFFAOYSA-N	-1	3	371.459	2.123	20	30		FEEDHM
C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C#N)c2ccccc2Cl)c(C)o1	ZINC000176075174	546403219	/nfs/dbraw/zinc/40/32/19/546403219.db2.gz	DBTDBUQVRKFARF-CYBMUJFWSA-N	-1	3	367.814	2.144	20	30		FEEDHM
N#C[C@H](NC(=O)CC[N-]S(=O)(=O)c1ccccc1F)C1CCCCC1	ZINC000482477068	561254680	/nfs/dbraw/zinc/25/46/80/561254680.db2.gz	JLNYBQLABAVSAG-HNNXBMFYSA-N	-1	3	367.446	2.083	20	30		FEEDHM
Cc1cccc2c1[n-]cc(C(=O)N1CCN(c3cc(C#N)ccn3)CC1)c2=O	ZINC000482712244	561258964	/nfs/dbraw/zinc/25/89/64/561258964.db2.gz	IYROYUORGIHZTA-UHFFFAOYSA-N	-1	3	373.416	2.066	20	30		FEEDHM
N#Cc1cnc2ccccc2c1N1CCN(C(=O)c2c([O-])cccc2O)CC1	ZINC000180850753	547193737	/nfs/dbraw/zinc/19/37/37/547193737.db2.gz	WAOFICPPSICSAO-UHFFFAOYSA-N	-1	3	374.400	2.480	20	30		FEEDHM
COc1ccc(NC(=O)C(C#N)Cn2[n-]c(C(F)(F)F)cc2=O)cc1	ZINC000181289459	547287986	/nfs/dbraw/zinc/28/79/86/547287986.db2.gz	SQKPJKTVIJFFPI-SECBINFHSA-N	-1	3	354.288	2.395	20	30		FEEDHM
CSC1(C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)CCOCC1	ZINC000183750344	547712723	/nfs/dbraw/zinc/71/27/23/547712723.db2.gz	YCRATTAQBWYGOE-UHFFFAOYSA-N	-1	3	360.888	2.402	20	30		FEEDHM
Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)NC3(C#N)CC3)cs2)c1	ZINC000183882207	547733107	/nfs/dbraw/zinc/73/31/07/547733107.db2.gz	MUEZHEPFVLTKLR-UHFFFAOYSA-N	-1	3	356.407	2.124	20	30		FEEDHM
CC(C)C(=O)N1CCC([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)CC1	ZINC000186248983	548106496	/nfs/dbraw/zinc/10/64/96/548106496.db2.gz	NRJUUDMGIWPAEM-UHFFFAOYSA-N	-1	3	369.874	2.137	20	30		FEEDHM
C[C@@]1(c2cccc(NC(=O)c3cccc(F)c3C#N)c2)NC(=O)[N-]C1=O	ZINC000186911859	548216631	/nfs/dbraw/zinc/21/66/31/548216631.db2.gz	INZQEFACKTYISF-SFHVURJKSA-N	-1	3	352.325	2.004	20	30		FEEDHM
N#CC(=C([O-])c1ccc(C(N)=O)nc1)c1nc2ccccc2n1C(F)F	ZINC000194413184	548477428	/nfs/dbraw/zinc/47/74/28/548477428.db2.gz	NKKSNZYRZWXUBK-JTQLQIEISA-N	-1	3	355.304	2.415	20	30		FEEDHM
COC[C@@H]([N-]S(=O)(=O)c1cnc(C)c(C#N)c1)c1ccc(F)c(F)c1	ZINC000489667121	561416556	/nfs/dbraw/zinc/41/65/56/561416556.db2.gz	NTHLQSLVBMNALR-MRXNPFEDSA-N	-1	3	367.377	2.206	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(-c2nc(C[C@@H]3CCCO3)no2)ccc1F	ZINC000264566388	549997730	/nfs/dbraw/zinc/99/77/30/549997730.db2.gz	BNMXZAGOBZYBRN-LBPRGKRZSA-N	-1	3	367.402	2.062	20	30		FEEDHM
COc1cc(OC)cc(N2CC[C@@H](/N=C/c3ccc(O)c([O-])c3O)C2=O)c1	ZINC000267107246	550027851	/nfs/dbraw/zinc/02/78/51/550027851.db2.gz	QJIWKLOFXFPYEY-IXJMWADBSA-N	-1	3	372.377	2.045	20	30		FEEDHM
CC[C@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)[C@@H](O)C(F)(F)F	ZINC000270804996	550308900	/nfs/dbraw/zinc/30/89/00/550308900.db2.gz	BEADRUMDXFULSB-GXTWGEPZSA-N	-1	3	359.348	2.026	20	30		FEEDHM
COc1cc(Br)c(F)cc1S(=O)(=O)[N-]CCCC#N	ZINC000273559827	550502981	/nfs/dbraw/zinc/50/29/81/550502981.db2.gz	NCWPHUJGXDNMFU-UHFFFAOYSA-N	-1	3	351.197	2.179	20	30		FEEDHM
C=CCCCC[N-]S(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl	ZINC000274683216	550549106	/nfs/dbraw/zinc/54/91/06/550549106.db2.gz	SQSCXMADEFUTGJ-UHFFFAOYSA-N	-1	3	357.906	2.440	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)c1cccnc1C#N)c1cccc(N2CCCC2=O)c1	ZINC000276986152	550618655	/nfs/dbraw/zinc/61/86/55/550618655.db2.gz	HTIMRQJUGNKNMI-CYBMUJFWSA-N	-1	3	370.434	2.120	20	30		FEEDHM
CC[C@@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2ccc(F)cc2C#N)n[nH]1	ZINC000277021601	550622813	/nfs/dbraw/zinc/62/28/13/550622813.db2.gz	WUWZNSNIJLBFFD-NXEZZACHSA-N	-1	3	351.407	2.368	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-]C[C@@H](c1ccccc1)N1CCCC1	ZINC000277028700	550623598	/nfs/dbraw/zinc/62/35/98/550623598.db2.gz	NUKNSKFNLHKRFN-KRWDZBQOSA-N	-1	3	356.451	2.069	20	30		FEEDHM
CC[C@@H](C)C(=O)Nc1cccc(C[N-]S(=O)(=O)c2cccnc2C#N)c1	ZINC000277046966	550625693	/nfs/dbraw/zinc/62/56/93/550625693.db2.gz	PWESEHKFWMKDAR-CYBMUJFWSA-N	-1	3	372.450	2.416	20	30		FEEDHM
C=CCC[C@@H](NC(=O)C[C@@H]1NC(=O)[N-]C1=O)c1ccc(C(F)(F)F)cc1	ZINC000496013893	561491829	/nfs/dbraw/zinc/49/18/29/561491829.db2.gz	KYPNIHLFTCEKOZ-OLZOCXBDSA-N	-1	3	369.343	2.427	20	30		FEEDHM
C=CC[C@H](CC)NS(=O)(=O)c1ccc([N-]S(=O)(=O)CC)c(F)c1	ZINC000281681743	551129956	/nfs/dbraw/zinc/12/99/56/551129956.db2.gz	YITOJPCRSSEEOO-NSHDSACASA-N	-1	3	364.464	2.220	20	30		FEEDHM
O=S(=O)(OCC(F)(F)C(F)F)c1ccc(Cl)c(-c2nnn[n-]2)c1	ZINC000281865198	551150204	/nfs/dbraw/zinc/15/02/04/551150204.db2.gz	VVEHBFUKTCWUGA-UHFFFAOYSA-N	-1	3	374.703	2.126	20	30		FEEDHM
O=S(=O)(OCC(F)(F)C(F)F)c1ccc(Cl)c(-c2nn[n-]n2)c1	ZINC000281865198	551150207	/nfs/dbraw/zinc/15/02/07/551150207.db2.gz	VVEHBFUKTCWUGA-UHFFFAOYSA-N	-1	3	374.703	2.126	20	30		FEEDHM
C#C[C@@H]([N-]C(=O)C(F)(F)c1ccc(OCC(=O)N(C)C)cc1)C(C)C	ZINC000281908504	551156247	/nfs/dbraw/zinc/15/62/47/551156247.db2.gz	GLGYJANOIFZZRG-OAHLLOKOSA-N	-1	3	352.381	2.019	20	30		FEEDHM
COc1cc(CN2CCC(C[N-]C(=O)C(F)(F)F)CC2)ccc1C#N	ZINC000282156079	551188062	/nfs/dbraw/zinc/18/80/62/551188062.db2.gz	DAQUTZPQWPORIX-UHFFFAOYSA-N	-1	3	355.360	2.457	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCOc2cc(O)ccc2C1	ZINC000286216761	551862450	/nfs/dbraw/zinc/86/24/50/551862450.db2.gz	NIGDLDAKMRUJMM-UHFFFAOYSA-N	-1	3	367.405	2.335	20	30		FEEDHM
N#CCCCCNC(=O)C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1	ZINC000289831707	552386085	/nfs/dbraw/zinc/38/60/85/552386085.db2.gz	APUDBPYPRKJYQO-UHFFFAOYSA-N	-1	3	364.254	2.082	20	30		FEEDHM
C=C(C)[C@H]1OCC[C@H]1c1nc(-c2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)no1	ZINC000290296031	552455508	/nfs/dbraw/zinc/45/55/08/552455508.db2.gz	ZRHKYSGQMKOPEN-LPMFXHHGSA-N	-1	3	368.393	2.240	20	30		FEEDHM
CC(C)(CC#N)CS(=O)(=O)[N-][C@@H]1CCCN(c2ccccc2F)C1=O	ZINC000295222033	552970986	/nfs/dbraw/zinc/97/09/86/552970986.db2.gz	VVIKNZKZTZSAPX-CQSZACIVSA-N	-1	3	367.446	2.180	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@](C)(F)C2)ccc1F	ZINC000295527255	553021100	/nfs/dbraw/zinc/02/11/00/553021100.db2.gz	BKMNAURIZNTBBA-MRXNPFEDSA-N	-1	3	358.410	2.254	20	30		FEEDHM
C=CCN(Cc1cccs1)C(=O)c1cncc([N-]S(C)(=O)=O)c1	ZINC000502284893	561615614	/nfs/dbraw/zinc/61/56/14/561615614.db2.gz	ZCWPZZJRAUISLP-UHFFFAOYSA-N	-1	3	351.453	2.343	20	30		FEEDHM
Cc1cccc(NCC[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)n1	ZINC000503432440	561641153	/nfs/dbraw/zinc/64/11/53/561641153.db2.gz	JTGZCBNBKUPPTB-UHFFFAOYSA-N	-1	3	350.831	2.306	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]CCNC(=O)CC2CCCC2)c(Cl)c1	ZINC000503474023	561642209	/nfs/dbraw/zinc/64/22/09/561642209.db2.gz	BOVIXMJBWYIVOX-UHFFFAOYSA-N	-1	3	369.874	2.186	20	30		FEEDHM
CC(C)Oc1ccc(C#N)cc1NC(=O)c1cncc([N-]S(C)(=O)=O)c1	ZINC000503539964	561644134	/nfs/dbraw/zinc/64/41/34/561644134.db2.gz	HCTRPBDEGPEQPN-UHFFFAOYSA-N	-1	3	374.422	2.364	20	30		FEEDHM
CC(C)(C)CCS(=O)(=O)[N-][C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000503766538	561647952	/nfs/dbraw/zinc/64/79/52/561647952.db2.gz	SYVYEURQELRBBL-INIZCTEOSA-N	-1	3	363.483	2.409	20	30		FEEDHM
CN1CC[C@H](C(=O)NCc2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)CC1=O	ZINC000328672985	553805332	/nfs/dbraw/zinc/80/53/32/553805332.db2.gz	IPWCFEUPMHXSMD-SGTLLEGYSA-N	-1	3	358.398	2.111	20	30		FEEDHM
O=C(Nc1cccc(C(=O)N2CCc3c(=O)[n-]cnc3C2)c1)[C@H]1CCCO1	ZINC000328972857	553856191	/nfs/dbraw/zinc/85/61/91/553856191.db2.gz	AKPYDVUWSOZADH-MRXNPFEDSA-N	-1	3	368.393	2.148	20	30		FEEDHM
C[C@H](NC(=O)N(C)Cc1nc(=O)c2sccc2[n-]1)C1=CCN(C)CC1	ZINC000329707554	553992781	/nfs/dbraw/zinc/99/27/81/553992781.db2.gz	LRPHRGYBHPGCJD-NSHDSACASA-N	-1	3	361.471	2.393	20	30		FEEDHM
O=C(NC[C@@H]1CCCCS1)N1CCN(C(=O)c2cccc([O-])c2)CC1	ZINC000329766938	554002468	/nfs/dbraw/zinc/00/24/68/554002468.db2.gz	YTRVKCORUIMFSI-INIZCTEOSA-N	-1	3	363.483	2.350	20	30		FEEDHM
Cc1cc([N-]C(=O)[C@@H](C)N2CCN(c3ccc(C#N)cc3F)CC2)on1	ZINC000507193732	561720551	/nfs/dbraw/zinc/72/05/51/561720551.db2.gz	DYGZECKNYSKAMC-CYBMUJFWSA-N	-1	3	357.389	2.143	20	30		FEEDHM
N#Cc1ccc(CS(=O)(=O)[N-]CC(=O)Nc2ccc(Cl)cc2)cc1	ZINC000507308003	561724462	/nfs/dbraw/zinc/72/44/62/561724462.db2.gz	AMVKFRZKLPPWRH-UHFFFAOYSA-N	-1	3	363.826	2.270	20	30		FEEDHM
COCC[C@@](C)(C#N)[N-]S(=O)(=O)c1sc(C)cc1Br	ZINC000508067857	561750164	/nfs/dbraw/zinc/75/01/64/561750164.db2.gz	KWDALJACEBRXHZ-NSHDSACASA-N	-1	3	367.290	2.416	20	30		FEEDHM
N#C[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1	ZINC000331113640	554215357	/nfs/dbraw/zinc/21/53/57/554215357.db2.gz	JPKHSMQLQANEFF-PRHODGIISA-N	-1	3	374.216	2.328	20	30		FEEDHM
COC(=O)[C@@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1cccs1	ZINC000509158498	561787716	/nfs/dbraw/zinc/78/77/16/561787716.db2.gz	ZEGORAKSULTATH-INIZCTEOSA-N	-1	3	373.434	2.300	20	30		FEEDHM
Cc1cccc(CCC[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)n1	ZINC000509632001	561807947	/nfs/dbraw/zinc/80/79/47/561807947.db2.gz	JFEPBVOIPMBJCR-UHFFFAOYSA-N	-1	3	360.395	2.081	20	30		FEEDHM
CN(C)CCN(Cc1ccc(F)cc1F)C(=O)N=c1[n-]n(C)cc1C#N	ZINC000610563587	554530241	/nfs/dbraw/zinc/53/02/41/554530241.db2.gz	BLSOKSIVSMEAQA-UHFFFAOYSA-N	-1	3	362.384	2.166	20	30		FEEDHM
C=CCNC(=O)c1cccc(-c2noc(-c3ccc(C(=O)OC)[n-]3)n2)c1	ZINC000350515505	554794525	/nfs/dbraw/zinc/79/45/25/554794525.db2.gz	VZIBGAUQFODODT-UHFFFAOYSA-N	-1	3	352.350	2.434	20	30		FEEDHM
CCc1nn(C)cc1-c1noc(CCc2c(C)[n-]c(=O)c(C#N)c2C)n1	ZINC000350535662	554795941	/nfs/dbraw/zinc/79/59/41/554795941.db2.gz	BKWJPXBGFMVLGC-UHFFFAOYSA-N	-1	3	352.398	2.407	20	30		FEEDHM
COc1cccc(C(F)(F)C[N-]S(=O)(=O)c2ccc(C#N)cc2)n1	ZINC000511364316	561866872	/nfs/dbraw/zinc/86/68/72/561866872.db2.gz	CVKHPFWKPLCYRL-UHFFFAOYSA-N	-1	3	353.350	2.032	20	30		FEEDHM
CN(Cc1ccccc1)[C@@H](CNC(=O)N=c1[n-]n(C)cc1C#N)C1CC1	ZINC000614182390	555019519	/nfs/dbraw/zinc/01/95/19/555019519.db2.gz	OTGULUUIMMAJCB-KRWDZBQOSA-N	-1	3	352.442	2.324	20	30		FEEDHM
C=CCN(CC=C)[C@@H](CNC(=O)c1c[n-]c2c(cnn2C)c1=O)C(C)C	ZINC000512109278	561892642	/nfs/dbraw/zinc/89/26/42/561892642.db2.gz	IVNDSOLDKUWRKF-INIZCTEOSA-N	-1	3	357.458	2.102	20	30		FEEDHM
C#Cc1ccccc1CC(=O)NC1CCN(C(=O)c2cccc([O-])c2)CC1	ZINC000365856959	555684599	/nfs/dbraw/zinc/68/45/99/555684599.db2.gz	QFPHAHAMJFJRQA-UHFFFAOYSA-N	-1	3	362.429	2.337	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCN[C@H](c2ccccc2)C1	ZINC000514583376	561967743	/nfs/dbraw/zinc/96/77/43/561967743.db2.gz	VVZKJRAHWITYGL-IBGZPJMESA-N	-1	3	364.449	2.381	20	30		FEEDHM
C=C(C)CS(=O)(=O)[N-][C@H](c1nc[nH]n1)c1cccc(C(F)(F)F)c1	ZINC000367189481	556003186	/nfs/dbraw/zinc/00/31/86/556003186.db2.gz	WRLLCIZMPJEKJU-LBPRGKRZSA-N	-1	3	360.361	2.408	20	30		FEEDHM
C#CCCS(=O)(=O)[N-][C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O	ZINC000367950661	556180354	/nfs/dbraw/zinc/18/03/54/556180354.db2.gz	GXYQVWDHTNODOF-LBPRGKRZSA-N	-1	3	361.250	2.041	20	30		FEEDHM
C=CCN(C(=O)C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C1CC1	ZINC000515719110	562020375	/nfs/dbraw/zinc/02/03/75/562020375.db2.gz	XWDMDEKURVQNNY-UHFFFAOYSA-N	-1	3	363.266	2.449	20	30		FEEDHM
C[C@H](C1CC1)n1[n-]cc/c1=N\C(=O)CN1CCC[C@]2(CCCCO2)[C@@H]1C#N	ZINC000369304572	556569177	/nfs/dbraw/zinc/56/91/77/556569177.db2.gz	CYVNJXCYHQKAFI-VPMHKIECSA-N	-1	3	371.485	2.142	20	30		FEEDHM
COc1cc(C(=O)/C=C/c2cnc(-c3cnn(C)c3)nc2)c(OC)cc1[O-]	ZINC000370606032	556920444	/nfs/dbraw/zinc/92/04/44/556920444.db2.gz	GTRUZPHOCVQYMN-SNAWJCMRSA-N	-1	3	366.377	2.496	20	30		FEEDHM
CC(C)(C#N)CCS(=O)(=O)[N-]Cc1nnc(-c2ccncc2F)s1	ZINC000370691122	556941480	/nfs/dbraw/zinc/94/14/80/556941480.db2.gz	OWRMUCWTDPFAIY-UHFFFAOYSA-N	-1	3	369.447	2.098	20	30		FEEDHM
Cc1nccn1-c1ccc(C[N-]S(=O)(=O)c2cccnc2C#N)cc1F	ZINC000373779004	557757395	/nfs/dbraw/zinc/75/73/95/557757395.db2.gz	FDZQLMAJPBNXMP-UHFFFAOYSA-N	-1	3	371.397	2.065	20	30		FEEDHM
C=CCN(CCc1ccccc1)C(=O)C[N-]S(=O)(=O)c1cccs1	ZINC000521573694	562179115	/nfs/dbraw/zinc/17/91/15/562179115.db2.gz	DROFHXIQVFWHAU-UHFFFAOYSA-N	-1	3	364.492	2.284	20	30		FEEDHM
C=CC1CCN(C(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)CC1	ZINC000522135665	562192193	/nfs/dbraw/zinc/19/21/93/562192193.db2.gz	YERYNXREMPWCQE-UHFFFAOYSA-N	-1	3	352.438	2.498	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H]2C2CC2)ccc1F	ZINC000377543773	558361297	/nfs/dbraw/zinc/36/12/97/558361297.db2.gz	LMYGIVADXFVIJD-HNNXBMFYSA-N	-1	3	352.431	2.305	20	30		FEEDHM
C[C@H]1CN(Cc2ccccc2)C[C@H]1[N-]S(=O)(=O)c1ccc(C#N)s1	ZINC000389986172	558610733	/nfs/dbraw/zinc/61/07/33/558610733.db2.gz	MEQAXSWMDHQVNI-XJKSGUPXSA-N	-1	3	361.492	2.419	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-]Cc1csc(Br)c1	ZINC000398335103	558626840	/nfs/dbraw/zinc/62/68/40/558626840.db2.gz	SGNANLSNKYMDPM-UHFFFAOYSA-N	-1	3	358.242	2.256	20	30		FEEDHM
CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@]3(CCCCO3)[C@H]2C#N)c1	ZINC000408267816	558662414	/nfs/dbraw/zinc/66/24/14/558662414.db2.gz	FTIDYLVLASCLPS-MJGOQNOKSA-N	-1	3	357.410	2.418	20	30		FEEDHM
CC(=O)c1ccc(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)cc1[O-]	ZINC000412118045	559015262	/nfs/dbraw/zinc/01/52/62/559015262.db2.gz	WPBDRBNRPUTJHR-SFHVURJKSA-N	-1	3	363.417	2.445	20	30		FEEDHM
N#Cc1ccc(Br)cc1S(=O)(=O)[N-]C[C@@H]1CCSC1	ZINC000416477928	559316207	/nfs/dbraw/zinc/31/62/07/559316207.db2.gz	XFFARZTUQWSYHI-VIFPVBQESA-N	-1	3	361.286	2.352	20	30		FEEDHM
C[C@@H]1COCC[C@H]1C[N-]S(=O)(=O)c1cc(Br)ccc1C#N	ZINC000416485808	559316932	/nfs/dbraw/zinc/31/69/32/559316932.db2.gz	GOONAEKHKXYUFY-PWSUYJOCSA-N	-1	3	373.272	2.272	20	30		FEEDHM
CO[C@@H]([C@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1C#N)C1CC1	ZINC000416496901	559317671	/nfs/dbraw/zinc/31/76/71/559317671.db2.gz	RFMRJHKSECDWNW-XPTSAGLGSA-N	-1	3	373.272	2.413	20	30		FEEDHM
C[C@@H]1CC[C@@H](C[N-]S(=O)(=O)c2cc(Br)ccc2C#N)O1	ZINC000416539187	559320521	/nfs/dbraw/zinc/32/05/21/559320521.db2.gz	YBVFKSRKTWRHIO-SKDRFNHKSA-N	-1	3	359.245	2.167	20	30		FEEDHM
COCC[C@H](C)C[N-]S(=O)(=O)c1cccc(Br)c1C#N	ZINC000416577695	559323072	/nfs/dbraw/zinc/32/30/72/559323072.db2.gz	FXFQZGURDUMYBB-JTQLQIEISA-N	-1	3	361.261	2.272	20	30		FEEDHM
N#Cc1cccc(CNC(=O)CSCc2cc(=O)[n-]c(C3CC3)n2)c1	ZINC000419593169	559449135	/nfs/dbraw/zinc/44/91/35/559449135.db2.gz	XBKPFHBFLDQVTP-UHFFFAOYSA-N	-1	3	354.435	2.481	20	30		FEEDHM
CCn1c(=O)[n-]c(=O)c2c(C(=O)N[C@@H]3CC[C@H](C#N)C3)cc(C(C)C)nc21	ZINC000424979786	559682082	/nfs/dbraw/zinc/68/20/82/559682082.db2.gz	SJQCBRXJPZLIEQ-NWDGAFQWSA-N	-1	3	369.425	2.062	20	30		FEEDHM
N#C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1	ZINC000425191538	559690307	/nfs/dbraw/zinc/69/03/07/559690307.db2.gz	WVRMFDUIOSCRAE-WCBMZHEXSA-N	-1	3	374.216	2.328	20	30		FEEDHM
CC1(C)C[C@@]1(C#N)NC(=O)Cc1csc(NC(=O)c2cccc([O-])c2)n1	ZINC000427886772	559764654	/nfs/dbraw/zinc/76/46/54/559764654.db2.gz	QOPYKHJLQFQUNH-SFHVURJKSA-N	-1	3	370.434	2.452	20	30		FEEDHM
C=C[C@@H]1CCCCN1C(=O)CC[N-]S(=O)(=O)c1ccc(F)c(F)c1	ZINC000428042171	559768363	/nfs/dbraw/zinc/76/83/63/559768363.db2.gz	UGGBTEUCCCJNRS-GFCCVEGCSA-N	-1	3	358.410	2.200	20	30		FEEDHM
Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cccc(S(C)(=O)=O)c3)nc1-2	ZINC000429566639	559801605	/nfs/dbraw/zinc/80/16/05/559801605.db2.gz	DMWKIPNLJBOTAA-CYBMUJFWSA-N	-1	3	354.391	2.160	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCCN(c3ccccc3)C2=O)s1	ZINC000435428599	559922711	/nfs/dbraw/zinc/92/27/11/559922711.db2.gz	RNFALEACLFJDNY-AWEZNQCLSA-N	-1	3	361.448	2.094	20	30		FEEDHM
CN(C)[C@H](C[N-]S(=O)(=O)c1ccc(C#N)s1)c1c(F)cccc1F	ZINC000435432620	559922789	/nfs/dbraw/zinc/92/27/89/559922789.db2.gz	JTCJBDLSEXLDLZ-CYBMUJFWSA-N	-1	3	371.434	2.479	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]C[C@@]2(O)CCC[C@H](C(F)(F)F)C2)s1	ZINC000435441653	559923198	/nfs/dbraw/zinc/92/31/98/559923198.db2.gz	GVENSOYUCUXJII-JOYOIKCWSA-N	-1	3	368.402	2.382	20	30		FEEDHM
COc1ccc(O[C@@H](C)C[N-]S(=O)(=O)c2ccc(C#N)s2)cc1	ZINC000435445333	559923442	/nfs/dbraw/zinc/92/34/42/559923442.db2.gz	WDGKQAQKUIAMNQ-NSHDSACASA-N	-1	3	352.437	2.374	20	30		FEEDHM
Cc1c([N-]S(=O)(=O)c2ccc(C#N)s2)cccc1N1CC[NH+]=C1[O-]	ZINC000435470592	559923773	/nfs/dbraw/zinc/92/37/73/559923773.db2.gz	CJUMFDMTMUDYLK-UHFFFAOYSA-N	-1	3	362.436	2.259	20	30		FEEDHM
C=C(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-]	ZINC000435580054	559925427	/nfs/dbraw/zinc/92/54/27/559925427.db2.gz	OMWGYZJVSNDKTD-CJNGLKHVSA-N	-1	3	354.428	2.471	20	30		FEEDHM
C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cc(F)cc(C(=O)OCC)c1	ZINC000435587395	559925656	/nfs/dbraw/zinc/92/56/56/559925656.db2.gz	CNHAQGWLYWWNMF-MLGOLLRUSA-N	-1	3	371.430	2.262	20	30		FEEDHM
N#Cc1ccsc1[N-]C(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1	ZINC000435661622	559927633	/nfs/dbraw/zinc/92/76/33/559927633.db2.gz	GOCGCUVCAXYTJT-UHFFFAOYSA-N	-1	3	370.346	2.434	20	30		FEEDHM
N#Cc1c(NCCNC(=O)c2ccc([O-])cc2)nc2cc(Cl)ccn21	ZINC000436554959	559945313	/nfs/dbraw/zinc/94/53/13/559945313.db2.gz	LAADMRDBWCTPDG-UHFFFAOYSA-N	-1	3	355.785	2.407	20	30		FEEDHM
COc1ccc(C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)c([O-])c1	ZINC000436632177	559947159	/nfs/dbraw/zinc/94/71/59/559947159.db2.gz	BWECCBLVLFYHHL-UHFFFAOYSA-N	-1	3	355.369	2.374	20	30		FEEDHM
N#C[C@H](NC(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O)C1CC1	ZINC000444175241	560104096	/nfs/dbraw/zinc/10/40/96/560104096.db2.gz	JNHFVSOUICBDFJ-NSHDSACASA-N	-1	3	351.284	2.459	20	30		FEEDHM
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N=c1ccc(C2CC2)n[n-]1	ZINC000448152563	560179018	/nfs/dbraw/zinc/17/90/18/560179018.db2.gz	ALOMSNHMKBAYPV-UHFFFAOYSA-N	-1	3	364.453	2.821	20	30		FEEDHM
COC(=O)[C@@H]([N-]S(=O)(=O)CC1(CC#N)CC1)c1ccc(C)c(C)c1	ZINC000451402719	560304609	/nfs/dbraw/zinc/30/46/09/560304609.db2.gz	JUXSSEYQZKYDPP-HNNXBMFYSA-N	-1	3	350.440	2.131	20	30		FEEDHM
N#Cc1ccc(C(=O)C[N-]S(=O)(=O)C[C@@H]2CCCCC2(F)F)cc1	ZINC000451516877	560311538	/nfs/dbraw/zinc/31/15/38/560311538.db2.gz	KMZVSCXTVJFFDV-AWEZNQCLSA-N	-1	3	356.394	2.486	20	30		FEEDHM
CC(C)[C@H]([N-]S(=O)(=O)c1ccc(CC#N)cc1Cl)c1nncn1C	ZINC000451528585	560312222	/nfs/dbraw/zinc/31/22/22/560312222.db2.gz	FPLHPSIYURLACZ-AWEZNQCLSA-N	-1	3	367.862	2.210	20	30		FEEDHM
C=CCC[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)C(=O)OCC	ZINC000451998124	560344012	/nfs/dbraw/zinc/34/40/12/560344012.db2.gz	RWAJTJNQHTYJKJ-ZDUSSCGKSA-N	-1	3	356.831	2.388	20	30		FEEDHM
C=C(CC)CNC(=O)C(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1	ZINC000454023209	560422748	/nfs/dbraw/zinc/42/27/48/560422748.db2.gz	FCGPCABHGFWZMQ-UHFFFAOYSA-N	-1	3	354.410	2.433	20	30		FEEDHM
C=C(CC)CNC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl	ZINC000455528990	560485799	/nfs/dbraw/zinc/48/57/99/560485799.db2.gz	GDUKPZLIGHAALO-UHFFFAOYSA-N	-1	3	363.842	2.023	20	30		FEEDHM
CC(C)(Cc1ccc(C#N)cc1)C(=O)NCCNC(=O)c1ccc([O-])cc1	ZINC000455988747	560503619	/nfs/dbraw/zinc/50/36/19/560503619.db2.gz	MJBNDBRAVGITIS-UHFFFAOYSA-N	-1	3	365.433	2.379	20	30		FEEDHM
C=CCN(Cc1cccc([O-])c1Br)[C@H]1CCS(=O)(=O)C1	ZINC000459322472	560679558	/nfs/dbraw/zinc/67/95/58/560679558.db2.gz	HFWSZFFYZKZGBD-LBPRGKRZSA-N	-1	3	360.273	2.330	20	30		FEEDHM
COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(C(N)=O)ccc1Cl	ZINC000463523037	560817809	/nfs/dbraw/zinc/81/78/09/560817809.db2.gz	LBOKUNAVSUKWBB-UHFFFAOYSA-N	-1	3	365.798	2.120	20	30		FEEDHM
C=C[C@@H](C)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1ccccc1C(F)(F)F	ZINC000465123906	560858536	/nfs/dbraw/zinc/85/85/36/560858536.db2.gz	YSQHSQGLGBCKEF-NXEZZACHSA-N	-1	3	350.362	2.063	20	30		FEEDHM
CCN(CCC#N)C(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1	ZINC000471860770	561013255	/nfs/dbraw/zinc/01/32/55/561013255.db2.gz	YKGKZHJWKOZCIV-UHFFFAOYSA-N	-1	3	363.361	2.453	20	30		FEEDHM
CS(=O)(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccccc2CC#N)c1	ZINC000475805057	561105741	/nfs/dbraw/zinc/10/57/41/561105741.db2.gz	OARAIUZZTZKWRE-UHFFFAOYSA-N	-1	3	368.411	2.096	20	30		FEEDHM
CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cnn(CCCOC)c1	ZINC000528919969	562353035	/nfs/dbraw/zinc/35/30/35/562353035.db2.gz	NWOGXAXBMLJBLF-OAHLLOKOSA-N	-1	3	370.409	2.279	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1ccc2cn(C)nc2c1	ZINC000529805660	562386103	/nfs/dbraw/zinc/38/61/03/562386103.db2.gz	GJHKMXHBSQWSHZ-UHFFFAOYSA-N	-1	3	363.421	2.411	20	30		FEEDHM
N#Cc1csc(C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2[O-])c1	ZINC000530749210	562422704	/nfs/dbraw/zinc/42/27/04/562422704.db2.gz	PCFUJEANJDYBCU-UHFFFAOYSA-N	-1	3	363.420	2.118	20	30		FEEDHM
N#Cc1ccc(C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2[O-])s1	ZINC000531157968	562436732	/nfs/dbraw/zinc/43/67/32/562436732.db2.gz	ZYVLADOEXDGFNU-UHFFFAOYSA-N	-1	3	363.420	2.118	20	30		FEEDHM
Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)Nc1cc(CC#N)ccn1	ZINC000531674187	562453815	/nfs/dbraw/zinc/45/38/15/562453815.db2.gz	PDGAMVBBLPNSEO-UHFFFAOYSA-N	-1	3	374.404	2.173	20	30		FEEDHM
C[C@]1(c2ccc(NC(=O)C3(c4cccc(C#N)c4)CC3)cc2)NC(=O)[N-]C1=O	ZINC000533403731	562507567	/nfs/dbraw/zinc/50/75/67/562507567.db2.gz	VPUYBSGCIWCQNK-HXUWFJFHSA-N	-1	3	374.400	2.283	20	30		FEEDHM
N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H]1CCN(CC(F)(F)F)C1	ZINC000533547415	562512422	/nfs/dbraw/zinc/51/24/22/562512422.db2.gz	JREMLUIGTKLVAU-SECBINFHSA-N	-1	3	367.780	2.127	20	30		FEEDHM
C=CCOc1cccnc1C(=O)[N-]c1ncn(Cc2ccc(C#N)cc2)n1	ZINC000537156556	562586818	/nfs/dbraw/zinc/58/68/18/562586818.db2.gz	PKQWXHAQECULTA-UHFFFAOYSA-N	-1	3	360.377	2.410	20	30		FEEDHM
CC[C@H](CC#N)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1	ZINC000546569792	562637721	/nfs/dbraw/zinc/63/77/21/562637721.db2.gz	DLRWIBMAEWYQQA-LLVKDONJSA-N	-1	3	364.402	2.377	20	30		FEEDHM
Brc1ccc(C=NNCc2ccc(-c3nnn[n-]3)cc2)nc1	ZINC000819688560	607252545	/nfs/dbraw/zinc/25/25/45/607252545.db2.gz	JSOYTHZYRDOKCQ-UHFFFAOYSA-N	-1	3	358.203	2.148	20	30		FEEDHM
Brc1ccc(C=NNCc2ccc(-c3nn[n-]n3)cc2)nc1	ZINC000819688560	607252546	/nfs/dbraw/zinc/25/25/46/607252546.db2.gz	JSOYTHZYRDOKCQ-UHFFFAOYSA-N	-1	3	358.203	2.148	20	30		FEEDHM
C[C@H](CC#N)OC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1	ZINC000735977977	598858076	/nfs/dbraw/zinc/85/80/76/598858076.db2.gz	YNVNUQLUMGJUGF-LLVKDONJSA-N	-1	3	353.338	2.498	20	30		FEEDHM
C[C@H](CC#N)OC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1	ZINC000735977977	598858077	/nfs/dbraw/zinc/85/80/77/598858077.db2.gz	YNVNUQLUMGJUGF-LLVKDONJSA-N	-1	3	353.338	2.498	20	30		FEEDHM
CC[C@@H](C#N)Oc1cccc(CNC(=O)c2cccc(-c3nnn[n-]3)c2)c1	ZINC000736310190	598866908	/nfs/dbraw/zinc/86/69/08/598866908.db2.gz	WCHZPYFVIATZNR-INIZCTEOSA-N	-1	3	362.393	2.478	20	30		FEEDHM
CC[C@@H](C#N)Oc1cccc(CNC(=O)c2cccc(-c3nn[n-]n3)c2)c1	ZINC000736310190	598866909	/nfs/dbraw/zinc/86/69/09/598866909.db2.gz	WCHZPYFVIATZNR-INIZCTEOSA-N	-1	3	362.393	2.478	20	30		FEEDHM
C=CCCCCCN(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F	ZINC000735408827	598876722	/nfs/dbraw/zinc/87/67/22/598876722.db2.gz	RXFNFWORSWBYMX-UHFFFAOYSA-N	-1	3	353.423	2.373	20	30		FEEDHM
C=CCCCCCN(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F	ZINC000735408827	598876724	/nfs/dbraw/zinc/87/67/24/598876724.db2.gz	RXFNFWORSWBYMX-UHFFFAOYSA-N	-1	3	353.423	2.373	20	30		FEEDHM
Clc1nc2ccccn2c1C=NNCc1ccc(-c2nnn[n-]2)cc1	ZINC000822591962	607252651	/nfs/dbraw/zinc/25/26/51/607252651.db2.gz	ZJGSCXIXYACLTF-UHFFFAOYSA-N	-1	3	352.789	2.292	20	30		FEEDHM
Clc1nc2ccccn2c1C=NNCc1ccc(-c2nn[n-]n2)cc1	ZINC000822591962	607252652	/nfs/dbraw/zinc/25/26/52/607252652.db2.gz	ZJGSCXIXYACLTF-UHFFFAOYSA-N	-1	3	352.789	2.292	20	30		FEEDHM
N#Cc1cc(NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)ccc1-c1nnn[n-]1	ZINC000737706199	598913962	/nfs/dbraw/zinc/91/39/62/598913962.db2.gz	WNBGDHYZOSFFAG-BAQGIRSFSA-N	-1	3	361.321	2.298	20	30		FEEDHM
N#Cc1cc(NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)ccc1-c1nn[n-]n1	ZINC000737706199	598913964	/nfs/dbraw/zinc/91/39/64/598913964.db2.gz	WNBGDHYZOSFFAG-BAQGIRSFSA-N	-1	3	361.321	2.298	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2ccc(Br)o2)cc1-c1nnn[n-]1	ZINC000737719047	598914394	/nfs/dbraw/zinc/91/43/94/598914394.db2.gz	ONZULNSAPFDFNY-UHFFFAOYSA-N	-1	3	359.143	2.346	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2ccc(Br)o2)cc1-c1nn[n-]n1	ZINC000737719047	598914396	/nfs/dbraw/zinc/91/43/96/598914396.db2.gz	ONZULNSAPFDFNY-UHFFFAOYSA-N	-1	3	359.143	2.346	20	30		FEEDHM
N#Cc1cc(NC(=O)c2cnn(Cc3ccccc3)c2)ccc1-c1nnn[n-]1	ZINC000737709733	598925972	/nfs/dbraw/zinc/92/59/72/598925972.db2.gz	NKWALVDVRYEWJT-UHFFFAOYSA-N	-1	3	370.376	2.235	20	30		FEEDHM
N#Cc1cc(NC(=O)c2cnn(Cc3ccccc3)c2)ccc1-c1nn[n-]n1	ZINC000737709733	598925974	/nfs/dbraw/zinc/92/59/74/598925974.db2.gz	NKWALVDVRYEWJT-UHFFFAOYSA-N	-1	3	370.376	2.235	20	30		FEEDHM
C=CCc1cc(C=NNCc2ccc(-c3nnn[n-]3)cc2)cc(OC)c1O	ZINC000819758822	607253112	/nfs/dbraw/zinc/25/31/12/607253112.db2.gz	IAVOEGRRLFOFJH-UHFFFAOYSA-N	-1	3	364.409	2.433	20	30		FEEDHM
C=CCc1cc(C=NNCc2ccc(-c3nn[n-]n3)cc2)cc(OC)c1O	ZINC000819758822	607253113	/nfs/dbraw/zinc/25/31/13/607253113.db2.gz	IAVOEGRRLFOFJH-UHFFFAOYSA-N	-1	3	364.409	2.433	20	30		FEEDHM
CCOC(=O)c1c(C)[nH]c(C=NNCc2ccc(-c3nnn[n-]3)cc2)c1C	ZINC000821338324	607254611	/nfs/dbraw/zinc/25/46/11/607254611.db2.gz	XUSMXYLVYSXBGF-UHFFFAOYSA-N	-1	3	367.413	2.112	20	30		FEEDHM
CCOC(=O)c1c(C)[nH]c(C=NNCc2ccc(-c3nn[n-]n3)cc2)c1C	ZINC000821338324	607254612	/nfs/dbraw/zinc/25/46/12/607254612.db2.gz	XUSMXYLVYSXBGF-UHFFFAOYSA-N	-1	3	367.413	2.112	20	30		FEEDHM
Cc1c(N[C@@H]2CCN(c3sccc3C#N)C2=O)cccc1-c1nnn[n-]1	ZINC000822115677	607256670	/nfs/dbraw/zinc/25/66/70/607256670.db2.gz	HFKDSQYUHCEKSN-CQSZACIVSA-N	-1	3	365.422	2.326	20	30		FEEDHM
Cc1c(N[C@@H]2CCN(c3sccc3C#N)C2=O)cccc1-c1nn[n-]n1	ZINC000822115677	607256671	/nfs/dbraw/zinc/25/66/71/607256671.db2.gz	HFKDSQYUHCEKSN-CQSZACIVSA-N	-1	3	365.422	2.326	20	30		FEEDHM
CC(C)(C#N)NC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1	ZINC000735572644	599030783	/nfs/dbraw/zinc/03/07/83/599030783.db2.gz	XXALEOKAMGRNLX-UHFFFAOYSA-N	-1	3	362.393	2.478	20	30		FEEDHM
C#CCOc1ccc(F)cc1NC(=O)COc1ccccc1-c1nnn[n-]1	ZINC000735380923	599095055	/nfs/dbraw/zinc/09/50/55/599095055.db2.gz	OHBNYNUKOIZNHN-UHFFFAOYSA-N	-1	3	367.340	2.035	20	30		FEEDHM
C#CCOc1ccc(F)cc1NC(=O)COc1ccccc1-c1nn[n-]n1	ZINC000735380923	599095059	/nfs/dbraw/zinc/09/50/59/599095059.db2.gz	OHBNYNUKOIZNHN-UHFFFAOYSA-N	-1	3	367.340	2.035	20	30		FEEDHM
CS(=O)(=O)c1ccc(C(=O)C=Cc2cccc(-c3nnn[n-]3)c2)cc1F	ZINC000737174292	599157401	/nfs/dbraw/zinc/15/74/01/599157401.db2.gz	TZCKFCZYUDXTJP-FNORWQNLSA-N	-1	3	372.381	2.305	20	30		FEEDHM
CS(=O)(=O)c1ccc(C(=O)C=Cc2cccc(-c3nn[n-]n3)c2)cc1F	ZINC000737174292	599157403	/nfs/dbraw/zinc/15/74/03/599157403.db2.gz	TZCKFCZYUDXTJP-FNORWQNLSA-N	-1	3	372.381	2.305	20	30		FEEDHM
N#Cc1ccc(SCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)nc1	ZINC000737723531	599164474	/nfs/dbraw/zinc/16/44/74/599164474.db2.gz	VIXFBTGSBOTFDH-UHFFFAOYSA-N	-1	3	362.378	2.476	20	30		FEEDHM
N#Cc1ccc(SCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)nc1	ZINC000737723531	599164476	/nfs/dbraw/zinc/16/44/76/599164476.db2.gz	VIXFBTGSBOTFDH-UHFFFAOYSA-N	-1	3	362.378	2.476	20	30		FEEDHM
N#Cc1ccc(CCC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1	ZINC000822825751	599174338	/nfs/dbraw/zinc/17/43/38/599174338.db2.gz	NZWZUARCJLUCNL-UHFFFAOYSA-N	-1	3	350.357	2.126	20	30		FEEDHM
N#Cc1ccc(CCC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1	ZINC000822825751	599174340	/nfs/dbraw/zinc/17/43/40/599174340.db2.gz	NZWZUARCJLUCNL-UHFFFAOYSA-N	-1	3	350.357	2.126	20	30		FEEDHM
COc1cc(-c2nnn[n-]2)ccc1OC(=O)c1ncc(C#N)cc1Cl	ZINC000821700553	607263080	/nfs/dbraw/zinc/26/30/80/607263080.db2.gz	RMMDSQKUJVNUJB-UHFFFAOYSA-N	-1	3	356.729	2.015	20	30		FEEDHM
COc1cc(-c2nn[n-]n2)ccc1OC(=O)c1ncc(C#N)cc1Cl	ZINC000821700553	607263081	/nfs/dbraw/zinc/26/30/81/607263081.db2.gz	RMMDSQKUJVNUJB-UHFFFAOYSA-N	-1	3	356.729	2.015	20	30		FEEDHM
C=CCNc1ncc(C(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)s1	ZINC000819751129	607323875	/nfs/dbraw/zinc/32/38/75/607323875.db2.gz	QUEDVXJLACXFBW-UHFFFAOYSA-N	-1	3	355.427	2.193	20	30		FEEDHM
C=CCNc1ncc(C(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)s1	ZINC000819751129	607323876	/nfs/dbraw/zinc/32/38/76/607323876.db2.gz	QUEDVXJLACXFBW-UHFFFAOYSA-N	-1	3	355.427	2.193	20	30		FEEDHM
N#Cc1c(F)cccc1N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1	ZINC000737704325	598239145	/nfs/dbraw/zinc/23/91/45/598239145.db2.gz	DSPJHEVPEGZFOS-UHFFFAOYSA-N	-1	3	367.363	2.343	20	30		FEEDHM
CN(C(=O)c1ccccc1OCC#N)c1ccc(-c2nnn[n-]2)cc1F	ZINC000736740808	598280292	/nfs/dbraw/zinc/28/02/92/598280292.db2.gz	FMABVVVXEGHZHR-UHFFFAOYSA-N	-1	3	352.329	2.185	20	30		FEEDHM
CN(C(=O)c1ccccc1OCC#N)c1ccc(-c2nn[n-]n2)cc1F	ZINC000736740808	598280293	/nfs/dbraw/zinc/28/02/93/598280293.db2.gz	FMABVVVXEGHZHR-UHFFFAOYSA-N	-1	3	352.329	2.185	20	30		FEEDHM
N#Cc1ccc(CNC(=O)CSc2ccc(-c3nnn[n-]3)cc2)c(F)c1	ZINC000737713528	598297677	/nfs/dbraw/zinc/29/76/77/598297677.db2.gz	YLCMPNXBPAQVBN-UHFFFAOYSA-N	-1	3	368.397	2.286	20	30		FEEDHM
N#Cc1ccc(CNC(=O)CSc2ccc(-c3nn[n-]n3)cc2)c(F)c1	ZINC000737713528	598297679	/nfs/dbraw/zinc/29/76/79/598297679.db2.gz	YLCMPNXBPAQVBN-UHFFFAOYSA-N	-1	3	368.397	2.286	20	30		FEEDHM
CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)COc1cccc(C#N)c1	ZINC000735661917	598489282	/nfs/dbraw/zinc/48/92/82/598489282.db2.gz	YPBSZOMGLGHDSE-UHFFFAOYSA-N	-1	3	365.397	2.312	20	30		FEEDHM
CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)COc1cccc(C#N)c1	ZINC000735661917	598489284	/nfs/dbraw/zinc/48/92/84/598489284.db2.gz	YPBSZOMGLGHDSE-UHFFFAOYSA-N	-1	3	365.397	2.312	20	30		FEEDHM
N#Cc1ccc(N2CCC[C@@H]2C(=O)OCc2ccccc2-c2nnn[n-]2)cc1	ZINC000737719432	598620707	/nfs/dbraw/zinc/62/07/07/598620707.db2.gz	UREJESQONDZCAC-GOSISDBHSA-N	-1	3	374.404	2.451	20	30		FEEDHM
N#Cc1ccc(N2CCC[C@@H]2C(=O)OCc2ccccc2-c2nn[n-]n2)cc1	ZINC000737719432	598620708	/nfs/dbraw/zinc/62/07/08/598620708.db2.gz	UREJESQONDZCAC-GOSISDBHSA-N	-1	3	374.404	2.451	20	30		FEEDHM
C#Cc1cccc(NC(=O)CN(C)Cc2ccc(F)cc2-c2nnn[n-]2)c1	ZINC000735391331	598681526	/nfs/dbraw/zinc/68/15/26/598681526.db2.gz	PQNYYEFYIXWHIN-UHFFFAOYSA-N	-1	3	364.384	2.058	20	30		FEEDHM
C#Cc1cccc(NC(=O)CN(C)Cc2ccc(F)cc2-c2nn[n-]n2)c1	ZINC000735391331	598681527	/nfs/dbraw/zinc/68/15/27/598681527.db2.gz	PQNYYEFYIXWHIN-UHFFFAOYSA-N	-1	3	364.384	2.058	20	30		FEEDHM
C#Cc1ccc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)cn1	ZINC000735389390	598734359	/nfs/dbraw/zinc/73/43/59/598734359.db2.gz	BCSBZVZQXACDPB-UHFFFAOYSA-N	-1	3	350.407	2.436	20	30		FEEDHM
C#Cc1ccc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)cn1	ZINC000735389390	598734361	/nfs/dbraw/zinc/73/43/61/598734361.db2.gz	BCSBZVZQXACDPB-UHFFFAOYSA-N	-1	3	350.407	2.436	20	30		FEEDHM
Cc1cc(-c2nnn[n-]2)cc(C)c1OS(=O)(=O)c1ccc(C#N)cc1F	ZINC000822136676	599363274	/nfs/dbraw/zinc/36/32/74/599363274.db2.gz	NXCWDWLFPSJALY-UHFFFAOYSA-N	-1	3	373.369	2.262	20	30		FEEDHM
Cc1cc(-c2nn[n-]n2)cc(C)c1OS(=O)(=O)c1ccc(C#N)cc1F	ZINC000822136676	599363276	/nfs/dbraw/zinc/36/32/76/599363276.db2.gz	NXCWDWLFPSJALY-UHFFFAOYSA-N	-1	3	373.369	2.262	20	30		FEEDHM
Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)Oc1c(C)cc(C#N)cc1C	ZINC000822223804	599363868	/nfs/dbraw/zinc/36/38/68/599363868.db2.gz	KZQOIICTJDECKZ-UHFFFAOYSA-N	-1	3	369.406	2.431	20	30		FEEDHM
Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)Oc1c(C)cc(C#N)cc1C	ZINC000822223804	599363871	/nfs/dbraw/zinc/36/38/71/599363871.db2.gz	KZQOIICTJDECKZ-UHFFFAOYSA-N	-1	3	369.406	2.431	20	30		FEEDHM
N#Cc1cc(F)c(C(=O)OCC(=O)c2ccc(-c3nnn[n-]3)cc2)c(F)c1	ZINC000826384299	607379928	/nfs/dbraw/zinc/37/99/28/607379928.db2.gz	PQVNUEOYTNILKK-UHFFFAOYSA-N	-1	3	369.287	2.056	20	30		FEEDHM
N#Cc1cc(F)c(C(=O)OCC(=O)c2ccc(-c3nn[n-]n3)cc2)c(F)c1	ZINC000826384299	607379929	/nfs/dbraw/zinc/37/99/29/607379929.db2.gz	PQVNUEOYTNILKK-UHFFFAOYSA-N	-1	3	369.287	2.056	20	30		FEEDHM
CCn1nc(C)c(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)c1C	ZINC000736728713	599462807	/nfs/dbraw/zinc/46/28/07/599462807.db2.gz	PBFNOUYPFSMLCV-VOTSOKGWSA-N	-1	3	362.397	2.244	20	30		FEEDHM
CCn1nc(C)c(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)c1C	ZINC000736728713	599462812	/nfs/dbraw/zinc/46/28/12/599462812.db2.gz	PBFNOUYPFSMLCV-VOTSOKGWSA-N	-1	3	362.397	2.244	20	30		FEEDHM
CN(Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)Cc1ccc(C#N)cc1	ZINC000821609661	599559167	/nfs/dbraw/zinc/55/91/67/599559167.db2.gz	GUMVACAYPFHTJC-UHFFFAOYSA-N	-1	3	372.392	2.420	20	30		FEEDHM
CN(Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)Cc1ccc(C#N)cc1	ZINC000821609661	599559170	/nfs/dbraw/zinc/55/91/70/599559170.db2.gz	GUMVACAYPFHTJC-UHFFFAOYSA-N	-1	3	372.392	2.420	20	30		FEEDHM
CC#CCN(Cc1ccc(-c2nnn[n-]2)cc1)c1ccc2[nH]c(=O)[nH]c2c1	ZINC000819765852	599640136	/nfs/dbraw/zinc/64/01/36/599640136.db2.gz	SQLLHAJZHBQNJW-UHFFFAOYSA-N	-1	3	359.393	2.479	20	30		FEEDHM
CC#CCN(Cc1ccc(-c2nn[n-]n2)cc1)c1ccc2[nH]c(=O)[nH]c2c1	ZINC000819765852	599640137	/nfs/dbraw/zinc/64/01/37/599640137.db2.gz	SQLLHAJZHBQNJW-UHFFFAOYSA-N	-1	3	359.393	2.479	20	30		FEEDHM
N#C[C@H](c1ccccc1)N1CCN(Cc2cc(-c3nnn[n-]3)cs2)CC1	ZINC000822801319	607388548	/nfs/dbraw/zinc/38/85/48/607388548.db2.gz	GYFYZBZHRHVWFV-QGZVFWFLSA-N	-1	3	365.466	2.311	20	30		FEEDHM
N#C[C@H](c1ccccc1)N1CCN(Cc2cc(-c3nn[n-]n3)cs2)CC1	ZINC000822801319	607388550	/nfs/dbraw/zinc/38/85/50/607388550.db2.gz	GYFYZBZHRHVWFV-QGZVFWFLSA-N	-1	3	365.466	2.311	20	30		FEEDHM
N#C[C@@H](c1ccccc1)N1CCN(Cc2cc(-c3nnn[n-]3)cs2)CC1	ZINC000822801318	607388803	/nfs/dbraw/zinc/38/88/03/607388803.db2.gz	GYFYZBZHRHVWFV-KRWDZBQOSA-N	-1	3	365.466	2.311	20	30		FEEDHM
N#C[C@@H](c1ccccc1)N1CCN(Cc2cc(-c3nn[n-]n3)cs2)CC1	ZINC000822801318	607388805	/nfs/dbraw/zinc/38/88/05/607388805.db2.gz	GYFYZBZHRHVWFV-KRWDZBQOSA-N	-1	3	365.466	2.311	20	30		FEEDHM
C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1	ZINC000824738219	607421753	/nfs/dbraw/zinc/42/17/53/607421753.db2.gz	MYAOLPZYTRVXHW-CYBMUJFWSA-N	-1	3	374.404	2.311	20	30		FEEDHM
C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1	ZINC000824738219	607421755	/nfs/dbraw/zinc/42/17/55/607421755.db2.gz	MYAOLPZYTRVXHW-CYBMUJFWSA-N	-1	3	374.404	2.311	20	30		FEEDHM
N#Cc1ccc(C2=NC(=Cc3ccc(-c4nnn[n-]4)cc3F)C(=O)O2)cc1	ZINC000822826050	607455349	/nfs/dbraw/zinc/45/53/49/607455349.db2.gz	STPKVLMBEQXIKF-OVCLIPMQSA-N	-1	3	360.308	2.222	20	30		FEEDHM
N#Cc1ccc(C2=NC(=Cc3ccc(-c4nn[n-]n4)cc3F)C(=O)O2)cc1	ZINC000822826050	607455350	/nfs/dbraw/zinc/45/53/50/607455350.db2.gz	STPKVLMBEQXIKF-OVCLIPMQSA-N	-1	3	360.308	2.222	20	30		FEEDHM
COCC(=O)Nc1cccc(CN[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1	ZINC000737734320	600592042	/nfs/dbraw/zinc/59/20/42/600592042.db2.gz	XMDLHJCBXPQCPG-SFHVURJKSA-N	-1	3	353.378	2.059	20	30		FEEDHM
N#Cc1c2[nH]c3ccccc3n2c(=O)cc1CN1CCC[C@H](C(=O)[O-])C1	ZINC000739066809	601033161	/nfs/dbraw/zinc/03/31/61/601033161.db2.gz	REEBBTPZIMBAGK-JSGCOSHPSA-N	-1	3	350.378	2.020	20	30		FEEDHM
COC(=O)COc1cccc(CN[C@H](C(=O)[O-])c2cccc(C#N)c2)c1	ZINC000831185258	601305255	/nfs/dbraw/zinc/30/52/55/601305255.db2.gz	QRLTURGMCDYGAI-SFHVURJKSA-N	-1	3	354.362	2.026	20	30		FEEDHM
C=CCNC(=O)c1ccccc1NCc1ccc(OC)c(-c2nnn[n-]2)c1	ZINC000823925119	607546484	/nfs/dbraw/zinc/54/64/84/607546484.db2.gz	DRIWJYPZBVQPSJ-UHFFFAOYSA-N	-1	3	364.409	2.403	20	30		FEEDHM
C=CCNC(=O)c1ccccc1NCc1ccc(OC)c(-c2nn[n-]n2)c1	ZINC000823925119	607546486	/nfs/dbraw/zinc/54/64/86/607546486.db2.gz	DRIWJYPZBVQPSJ-UHFFFAOYSA-N	-1	3	364.409	2.403	20	30		FEEDHM
COc1ccc(COC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1C#N	ZINC000826205667	607612096	/nfs/dbraw/zinc/61/20/96/607612096.db2.gz	GOEQCAXJJKPFGD-UHFFFAOYSA-N	-1	3	371.303	2.382	20	30		FEEDHM
COc1ccc(COC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1C#N	ZINC000826205667	607612098	/nfs/dbraw/zinc/61/20/98/607612098.db2.gz	GOEQCAXJJKPFGD-UHFFFAOYSA-N	-1	3	371.303	2.382	20	30		FEEDHM
C#CCN(C(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1)C1CCCCC1	ZINC000823844701	607623026	/nfs/dbraw/zinc/62/30/26/607623026.db2.gz	HAEMSAFAPUUGFS-UHFFFAOYSA-N	-1	3	368.441	2.353	20	30		FEEDHM
C#CCN(C(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1)C1CCCCC1	ZINC000823844701	607623027	/nfs/dbraw/zinc/62/30/27/607623027.db2.gz	HAEMSAFAPUUGFS-UHFFFAOYSA-N	-1	3	368.441	2.353	20	30		FEEDHM
CN(C(=O)[O-])[C@@H]1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1	ZINC000827882198	603843823	/nfs/dbraw/zinc/84/38/23/603843823.db2.gz	LTZOZKCQYVQQOC-NEPJUHHUSA-N	-1	3	358.423	2.157	20	30		FEEDHM
N#CCC[C@@H](NS(=O)(=O)c1ccccc1-c1nnn[n-]1)c1ccccc1	ZINC000826381181	607680269	/nfs/dbraw/zinc/68/02/69/607680269.db2.gz	ANARPXDJXINRJQ-OAHLLOKOSA-N	-1	3	368.422	2.190	20	30		FEEDHM
N#CCC[C@@H](NS(=O)(=O)c1ccccc1-c1nn[n-]n1)c1ccccc1	ZINC000826381181	607680271	/nfs/dbraw/zinc/68/02/71/607680271.db2.gz	ANARPXDJXINRJQ-OAHLLOKOSA-N	-1	3	368.422	2.190	20	30		FEEDHM
CCOc1ccc(N(CCC#N)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)cc1	ZINC000825639493	607724150	/nfs/dbraw/zinc/72/41/50/607724150.db2.gz	XZQZIIJXDUIDDR-UHFFFAOYSA-N	-1	3	351.370	2.154	20	30		FEEDHM
CCOc1ccc(N(CCC#N)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)cc1	ZINC000825639493	607724152	/nfs/dbraw/zinc/72/41/52/607724152.db2.gz	XZQZIIJXDUIDDR-UHFFFAOYSA-N	-1	3	351.370	2.154	20	30		FEEDHM
C#CCNC(=O)C1CCN([C@@H](C(=O)[O-])c2ccccc2C(F)(F)F)CC1	ZINC000833365291	605263852	/nfs/dbraw/zinc/26/38/52/605263852.db2.gz	GCCXPNDCTUIWCP-OAHLLOKOSA-N	-1	3	368.355	2.293	20	30		FEEDHM
C=CCOc1ccc(CN2CC[C@H](C(=O)OC)C[C@@H]2C(=O)[O-])cc1OC	ZINC000833377693	605727654	/nfs/dbraw/zinc/72/76/54/605727654.db2.gz	JELLBBRTKBMSGF-LSDHHAIUSA-N	-1	3	363.410	2.098	20	30		FEEDHM
N#C[C@@H](c1ccccc1)N1CCN(Cc2ccccc2-c2nn[n-]n2)CC1	ZINC000822801930	606072552	/nfs/dbraw/zinc/07/25/52/606072552.db2.gz	RMCWVSAVIKAFQG-IBGZPJMESA-N	-1	3	359.437	2.249	20	30		FEEDHM
N#Cc1ccc(C(=O)OCc2cn3ccccc3c2-c2nnn[n-]2)s1	ZINC000822825342	606134637	/nfs/dbraw/zinc/13/46/37/606134637.db2.gz	BNRVDLDBMVPFEC-UHFFFAOYSA-N	-1	3	350.363	2.410	20	30		FEEDHM
N#Cc1ccc(C(=O)OCc2cn3ccccc3c2-c2nn[n-]n2)s1	ZINC000822825342	606134639	/nfs/dbraw/zinc/13/46/39/606134639.db2.gz	BNRVDLDBMVPFEC-UHFFFAOYSA-N	-1	3	350.363	2.410	20	30		FEEDHM
Cn1cc(C#N)cc1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2	ZINC000822669759	606209578	/nfs/dbraw/zinc/20/95/78/606209578.db2.gz	OJNVEFGEWVHIPO-UHFFFAOYSA-N	-1	3	353.411	2.269	20	30		FEEDHM
Cn1cc(C#N)cc1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2	ZINC000822669759	606209580	/nfs/dbraw/zinc/20/95/80/606209580.db2.gz	OJNVEFGEWVHIPO-UHFFFAOYSA-N	-1	3	353.411	2.269	20	30		FEEDHM
O=C(COc1ccccc1-c1nnn[n-]1)OCC#Cc1ccc(Cl)cc1	ZINC000823054713	606437926	/nfs/dbraw/zinc/43/79/26/606437926.db2.gz	DBPWOQPMMLAILD-UHFFFAOYSA-N	-1	3	368.780	2.494	20	30		FEEDHM
O=C(COc1ccccc1-c1nn[n-]n1)OCC#Cc1ccc(Cl)cc1	ZINC000823054713	606437928	/nfs/dbraw/zinc/43/79/28/606437928.db2.gz	DBPWOQPMMLAILD-UHFFFAOYSA-N	-1	3	368.780	2.494	20	30		FEEDHM
Cn1cc(-c2nnn[n-]2)cc1C(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1	ZINC000822627093	606447231	/nfs/dbraw/zinc/44/72/31/606447231.db2.gz	JONFWDGJDUCGTO-HZPDHXFCSA-N	-1	3	361.409	2.117	20	30		FEEDHM
Cn1cc(-c2nn[n-]n2)cc1C(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1	ZINC000822627093	606447233	/nfs/dbraw/zinc/44/72/33/606447233.db2.gz	JONFWDGJDUCGTO-HZPDHXFCSA-N	-1	3	361.409	2.117	20	30		FEEDHM
Cn1cc(-c2nnn[n-]2)cc1C(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1	ZINC000822627094	606447422	/nfs/dbraw/zinc/44/74/22/606447422.db2.gz	JONFWDGJDUCGTO-JKSUJKDBSA-N	-1	3	361.409	2.117	20	30		FEEDHM
Cn1cc(-c2nn[n-]n2)cc1C(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1	ZINC000822627094	606447424	/nfs/dbraw/zinc/44/74/24/606447424.db2.gz	JONFWDGJDUCGTO-JKSUJKDBSA-N	-1	3	361.409	2.117	20	30		FEEDHM
C[C@H](CC#N)N(C)CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2	ZINC000820220280	606660371	/nfs/dbraw/zinc/66/03/71/606660371.db2.gz	QBJMHSJVSHKAKM-LLVKDONJSA-N	-1	3	373.486	2.370	20	30		FEEDHM
C[C@H](CC#N)N(C)CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2	ZINC000820220280	606660372	/nfs/dbraw/zinc/66/03/72/606660372.db2.gz	QBJMHSJVSHKAKM-LLVKDONJSA-N	-1	3	373.486	2.370	20	30		FEEDHM
CCN(C[C@@H](C)C#N)C(=O)CNc1cc(-c2nnn[n-]2)ccc1OC(C)C	ZINC000821170005	606707369	/nfs/dbraw/zinc/70/73/69/606707369.db2.gz	LEYMZOQVQKXNLR-ZDUSSCGKSA-N	-1	3	371.445	2.074	20	30		FEEDHM
CCN(C[C@@H](C)C#N)C(=O)CNc1cc(-c2nn[n-]n2)ccc1OC(C)C	ZINC000821170005	606707371	/nfs/dbraw/zinc/70/73/71/606707371.db2.gz	LEYMZOQVQKXNLR-ZDUSSCGKSA-N	-1	3	371.445	2.074	20	30		FEEDHM
C[C@@](C#N)(NC(=O)CSc1ccc(-c2nnn[n-]2)cc1Cl)C1CC1	ZINC000819844324	606851087	/nfs/dbraw/zinc/85/10/87/606851087.db2.gz	CRAQPGZMMQLOCD-HNNXBMFYSA-N	-1	3	362.846	2.421	20	30		FEEDHM
C[C@@](C#N)(NC(=O)CSc1ccc(-c2nn[n-]n2)cc1Cl)C1CC1	ZINC000819844324	606851088	/nfs/dbraw/zinc/85/10/88/606851088.db2.gz	CRAQPGZMMQLOCD-HNNXBMFYSA-N	-1	3	362.846	2.421	20	30		FEEDHM
CCc1nnc(NCc2ccc(-c3nnn[n-]3)cc2F)c(C#N)c1CC	ZINC000821542147	606932895	/nfs/dbraw/zinc/93/28/95/606932895.db2.gz	KOSJGPGBJJYKLQ-UHFFFAOYSA-N	-1	3	352.377	2.404	20	30		FEEDHM
CCc1nnc(NCc2ccc(-c3nn[n-]n3)cc2F)c(C#N)c1CC	ZINC000821542147	606932897	/nfs/dbraw/zinc/93/28/97/606932897.db2.gz	KOSJGPGBJJYKLQ-UHFFFAOYSA-N	-1	3	352.377	2.404	20	30		FEEDHM
CCc1nnc(NCCOc2ccc(-c3nn[n-]n3)cc2)c(C#N)c1CC	ZINC000821542313	606938749	/nfs/dbraw/zinc/93/87/49/606938749.db2.gz	OLNUNKHGWJAYPK-UHFFFAOYSA-N	-1	3	364.413	2.144	20	30		FEEDHM
C[C@H](Oc1ccc(-c2nnn[n-]2)cc1F)C(=O)Nc1cccc(C#N)c1	ZINC000820536454	607134323	/nfs/dbraw/zinc/13/43/23/607134323.db2.gz	UDABHRZFLZGWPV-JTQLQIEISA-N	-1	3	352.329	2.283	20	30		FEEDHM
C[C@H](Oc1ccc(-c2nn[n-]n2)cc1F)C(=O)Nc1cccc(C#N)c1	ZINC000820536454	607134325	/nfs/dbraw/zinc/13/43/25/607134325.db2.gz	UDABHRZFLZGWPV-JTQLQIEISA-N	-1	3	352.329	2.283	20	30		FEEDHM
Cc1nc2ccccc2c(=O)n1N=Cc1c[nH]c2ccc(-c3nnn[n-]3)cc12	ZINC000822461901	607145572	/nfs/dbraw/zinc/14/55/72/607145572.db2.gz	BJVDLMNAOXUSNK-UHFFFAOYSA-N	-1	3	370.376	2.249	20	30		FEEDHM
Cc1nc2ccccc2c(=O)n1N=Cc1c[nH]c2ccc(-c3nn[n-]n3)cc12	ZINC000822461901	607145573	/nfs/dbraw/zinc/14/55/73/607145573.db2.gz	BJVDLMNAOXUSNK-UHFFFAOYSA-N	-1	3	370.376	2.249	20	30		FEEDHM
C[C@H](Oc1ccc(C#N)cc1)C(=O)Oc1ccc(-c2nnn[n-]2)cc1F	ZINC000820535069	607249344	/nfs/dbraw/zinc/24/93/44/607249344.db2.gz	NLKSFINKLPXJSH-JTQLQIEISA-N	-1	3	353.313	2.250	20	30		FEEDHM
C[C@H](Oc1ccc(C#N)cc1)C(=O)Oc1ccc(-c2nn[n-]n2)cc1F	ZINC000820535069	607249345	/nfs/dbraw/zinc/24/93/45/607249345.db2.gz	NLKSFINKLPXJSH-JTQLQIEISA-N	-1	3	353.313	2.250	20	30		FEEDHM
N#Cc1ccc(OC[C@H](O)COc2ccc(-c3nnn[n-]3)cc2Cl)cc1	ZINC000826385782	607872768	/nfs/dbraw/zinc/87/27/68/607872768.db2.gz	AEFKKNTVKKQBCB-ZDUSSCGKSA-N	-1	3	371.784	2.210	20	30		FEEDHM
N#Cc1ccc(OC[C@H](O)COc2ccc(-c3nn[n-]n3)cc2Cl)cc1	ZINC000826385782	607872769	/nfs/dbraw/zinc/87/27/69/607872769.db2.gz	AEFKKNTVKKQBCB-ZDUSSCGKSA-N	-1	3	371.784	2.210	20	30		FEEDHM
C=C(C)[C@H](CC(=O)N(CCOC)c1ccc(-c2nnn[n-]2)cc1)OCC	ZINC000823873062	607926848	/nfs/dbraw/zinc/92/68/48/607926848.db2.gz	HHAFFJVHBRSEEC-INIZCTEOSA-N	-1	3	359.430	2.217	20	30		FEEDHM
C=C(C)[C@H](CC(=O)N(CCOC)c1ccc(-c2nn[n-]n2)cc1)OCC	ZINC000823873062	607926849	/nfs/dbraw/zinc/92/68/49/607926849.db2.gz	HHAFFJVHBRSEEC-INIZCTEOSA-N	-1	3	359.430	2.217	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H](C)c1cn[nH]c1	ZINC000823909660	607958848	/nfs/dbraw/zinc/95/88/48/607958848.db2.gz	MOTHTDJIQCCNMN-GFCCVEGCSA-N	-1	3	352.402	2.049	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H](C)c1cn[nH]c1	ZINC000823909660	607958849	/nfs/dbraw/zinc/95/88/49/607958849.db2.gz	MOTHTDJIQCCNMN-GFCCVEGCSA-N	-1	3	352.402	2.049	20	30		FEEDHM
C[C@@H](NC(=O)Cc1cccc(OCC#N)c1)c1ccc(-c2nnn[n-]2)cc1	ZINC000824479173	608023247	/nfs/dbraw/zinc/02/32/47/608023247.db2.gz	MCASCTWZNQYOJJ-CYBMUJFWSA-N	-1	3	362.393	2.189	20	30		FEEDHM
C[C@@H](NC(=O)Cc1cccc(OCC#N)c1)c1ccc(-c2nn[n-]n2)cc1	ZINC000824479173	608023248	/nfs/dbraw/zinc/02/32/48/608023248.db2.gz	MCASCTWZNQYOJJ-CYBMUJFWSA-N	-1	3	362.393	2.189	20	30		FEEDHM
C[C@H](NC(=O)Cc1cccc(OCC#N)c1)c1cccc(-c2nnn[n-]2)c1	ZINC000824478228	608025642	/nfs/dbraw/zinc/02/56/42/608025642.db2.gz	FYKQEBTWYYAMFQ-ZDUSSCGKSA-N	-1	3	362.393	2.189	20	30		FEEDHM
C[C@H](NC(=O)Cc1cccc(OCC#N)c1)c1cccc(-c2nn[n-]n2)c1	ZINC000824478228	608025643	/nfs/dbraw/zinc/02/56/43/608025643.db2.gz	FYKQEBTWYYAMFQ-ZDUSSCGKSA-N	-1	3	362.393	2.189	20	30		FEEDHM
N#Cc1cc(NC(=O)c2cnc([C@@H]3CCCO3)s2)ccc1-c1nnn[n-]1	ZINC000826384460	608028432	/nfs/dbraw/zinc/02/84/32/608028432.db2.gz	WKNGGUXXKXVIFT-LBPRGKRZSA-N	-1	3	367.394	2.299	20	30		FEEDHM
N#Cc1cc(NC(=O)c2cnc([C@@H]3CCCO3)s2)ccc1-c1nn[n-]n1	ZINC000826384460	608028433	/nfs/dbraw/zinc/02/84/33/608028433.db2.gz	WKNGGUXXKXVIFT-LBPRGKRZSA-N	-1	3	367.394	2.299	20	30		FEEDHM
C#CCCN(Cc1ccc(-c2nnn[n-]2)cc1)c1ccc2[nH]c(=O)[nH]c2c1	ZINC000823846118	608032653	/nfs/dbraw/zinc/03/26/53/608032653.db2.gz	ZDEBRMGRKOGFBY-UHFFFAOYSA-N	-1	3	359.393	2.479	20	30		FEEDHM
C#CCCN(Cc1ccc(-c2nn[n-]n2)cc1)c1ccc2[nH]c(=O)[nH]c2c1	ZINC000823846118	608032654	/nfs/dbraw/zinc/03/26/54/608032654.db2.gz	ZDEBRMGRKOGFBY-UHFFFAOYSA-N	-1	3	359.393	2.479	20	30		FEEDHM
N#Cc1cc(NC(=O)C2=Cc3cc(F)ccc3OC2)ccc1-c1nnn[n-]1	ZINC000826384101	608064747	/nfs/dbraw/zinc/06/47/47/608064747.db2.gz	GXQIXKDZSPJGMB-UHFFFAOYSA-N	-1	3	362.324	2.292	20	30		FEEDHM
N#Cc1cc(NC(=O)C2=Cc3cc(F)ccc3OC2)ccc1-c1nn[n-]n1	ZINC000826384101	608064748	/nfs/dbraw/zinc/06/47/48/608064748.db2.gz	GXQIXKDZSPJGMB-UHFFFAOYSA-N	-1	3	362.324	2.292	20	30		FEEDHM
N#Cc1cccc([C@@H]2CN(Cc3ccc(F)c(-c4nnn[n-]4)c3)CCO2)c1	ZINC000826386830	608070611	/nfs/dbraw/zinc/07/06/11/608070611.db2.gz	UQHKUFLNMDNHCT-SFHVURJKSA-N	-1	3	364.384	2.451	20	30		FEEDHM
N#Cc1cccc([C@@H]2CN(Cc3ccc(F)c(-c4nn[n-]n4)c3)CCO2)c1	ZINC000826386830	608070612	/nfs/dbraw/zinc/07/06/12/608070612.db2.gz	UQHKUFLNMDNHCT-SFHVURJKSA-N	-1	3	364.384	2.451	20	30		FEEDHM
CC(=NNc1nc2ccccc2c(=O)n1C)c1ccc(-c2nnn[n-]2)s1	ZINC000823963029	608094579	/nfs/dbraw/zinc/09/45/79/608094579.db2.gz	UBGGUIIZEWFMKG-UHFFFAOYSA-N	-1	3	366.410	2.011	20	30		FEEDHM
COCCn1nc(C)c(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2)c1C	ZINC000826163622	608230733	/nfs/dbraw/zinc/23/07/33/608230733.db2.gz	CQTHZFNGTGKTEZ-RMKNXTFCSA-N	-1	3	352.398	2.223	20	30		FEEDHM
COCCn1nc(C)c(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2)c1C	ZINC000826163622	608230734	/nfs/dbraw/zinc/23/07/34/608230734.db2.gz	CQTHZFNGTGKTEZ-RMKNXTFCSA-N	-1	3	352.398	2.223	20	30		FEEDHM
C#CCCCCC(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1	ZINC000823837992	608302083	/nfs/dbraw/zinc/30/20/83/608302083.db2.gz	KNDKMIWUECFFGZ-UHFFFAOYSA-N	-1	3	353.426	2.430	20	30		FEEDHM
C#CCCCCC(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1	ZINC000823837992	608302085	/nfs/dbraw/zinc/30/20/85/608302085.db2.gz	KNDKMIWUECFFGZ-UHFFFAOYSA-N	-1	3	353.426	2.430	20	30		FEEDHM
C=CCOc1cccnc1C(=O)OCCOc1ccc(-c2nn[n-]n2)cc1	ZINC000823931675	608456995	/nfs/dbraw/zinc/45/69/95/608456995.db2.gz	CXOWMODBYYKQHF-UHFFFAOYSA-N	-1	3	367.365	2.062	20	30		FEEDHM
CCc1cccc2c1NC(=O)C2=NNc1cc(-c2nnn[n-]2)cc(Cl)n1	ZINC000825723164	608540298	/nfs/dbraw/zinc/54/02/98/608540298.db2.gz	SKOHCDQPEVOJFS-UHFFFAOYSA-N	-1	3	368.788	2.246	20	30		FEEDHM
CCc1cccc2c1NC(=O)C2=NNc1cc(-c2nn[n-]n2)cc(Cl)n1	ZINC000825723164	608540299	/nfs/dbraw/zinc/54/02/99/608540299.db2.gz	SKOHCDQPEVOJFS-UHFFFAOYSA-N	-1	3	368.788	2.246	20	30		FEEDHM
COCCn1nc(C)c(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)c1C	ZINC000826164073	608882582	/nfs/dbraw/zinc/88/25/82/608882582.db2.gz	YEPGSWNHXXINNX-ALCCZGGFSA-N	-1	3	370.388	2.362	20	30		FEEDHM
COCCn1nc(C)c(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)c1C	ZINC000826164073	608882585	/nfs/dbraw/zinc/88/25/85/608882585.db2.gz	YEPGSWNHXXINNX-ALCCZGGFSA-N	-1	3	370.388	2.362	20	30		FEEDHM
C#CCOCCC(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1-c1ccccc1	ZINC000823856730	609165168	/nfs/dbraw/zinc/16/51/68/609165168.db2.gz	WYIZDKROHQFYQD-UHFFFAOYSA-N	-1	3	364.409	2.253	20	30		FEEDHM
C#CCOCCC(=O)Nc1c(-c2nn[n-]n2)c(C)c(C)n1-c1ccccc1	ZINC000823856730	609165170	/nfs/dbraw/zinc/16/51/70/609165170.db2.gz	WYIZDKROHQFYQD-UHFFFAOYSA-N	-1	3	364.409	2.253	20	30		FEEDHM
C=CCN(CCc1ccccc1)C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1	ZINC000823903727	609212863	/nfs/dbraw/zinc/21/28/63/609212863.db2.gz	ISOMPYQYSKUGMR-GOSISDBHSA-N	-1	3	363.421	2.157	20	30		FEEDHM
C=CCN(CCc1ccccc1)C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1	ZINC000823903727	609212865	/nfs/dbraw/zinc/21/28/65/609212865.db2.gz	ISOMPYQYSKUGMR-GOSISDBHSA-N	-1	3	363.421	2.157	20	30		FEEDHM
N#CCc1ccccc1CC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1	ZINC000826382609	609237540	/nfs/dbraw/zinc/23/75/40/609237540.db2.gz	MTZKYRXDDAKFRL-UHFFFAOYSA-N	-1	3	358.405	2.281	20	30		FEEDHM
N#CCc1ccccc1CC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1	ZINC000826382609	609237541	/nfs/dbraw/zinc/23/75/41/609237541.db2.gz	MTZKYRXDDAKFRL-UHFFFAOYSA-N	-1	3	358.405	2.281	20	30		FEEDHM
N#CCc1ccccc1CC(=O)OCc1cccc(-c2nnn[n-]2)c1F	ZINC000826382496	609245035	/nfs/dbraw/zinc/24/50/35/609245035.db2.gz	HIXLFWAGEBDOIK-UHFFFAOYSA-N	-1	3	351.341	2.358	20	30		FEEDHM
N#CCc1ccccc1CC(=O)OCc1cccc(-c2nn[n-]n2)c1F	ZINC000826382496	609245037	/nfs/dbraw/zinc/24/50/37/609245037.db2.gz	HIXLFWAGEBDOIK-UHFFFAOYSA-N	-1	3	351.341	2.358	20	30		FEEDHM
CC(=NNc1ccc(S(C)(=O)=O)cc1)c1ccc(-c2nnn[n-]2)cc1F	ZINC000823958279	609276010	/nfs/dbraw/zinc/27/60/10/609276010.db2.gz	HGFUGXCLJOPDSM-UHFFFAOYSA-N	-1	3	374.401	2.245	20	30		FEEDHM
CC(=NNc1ccc(S(C)(=O)=O)cc1)c1ccc(-c2nn[n-]n2)cc1F	ZINC000823958279	609276011	/nfs/dbraw/zinc/27/60/11/609276011.db2.gz	HGFUGXCLJOPDSM-UHFFFAOYSA-N	-1	3	374.401	2.245	20	30		FEEDHM
O=[N+]([O-])c1ccc(C=NNc2cc(-c3nnn[n-]3)cc(Cl)n2)c(F)c1	ZINC000826498439	609306591	/nfs/dbraw/zinc/30/65/91/609306591.db2.gz	UXZZYEHMXKXJKF-UHFFFAOYSA-N	-1	3	362.712	2.408	20	30		FEEDHM
O=[N+]([O-])c1ccc(C=NNc2cc(-c3nn[n-]n3)cc(Cl)n2)c(F)c1	ZINC000826498439	609306593	/nfs/dbraw/zinc/30/65/93/609306593.db2.gz	UXZZYEHMXKXJKF-UHFFFAOYSA-N	-1	3	362.712	2.408	20	30		FEEDHM
CC(=O)N1Cc2ccccc2C(=O)C(=Cc2cccc(-c3nnn[n-]3)c2)C1	ZINC000823975170	609405874	/nfs/dbraw/zinc/40/58/74/609405874.db2.gz	VGAGLBLPTOBSSC-YVLHZVERSA-N	-1	3	359.389	2.495	20	30		FEEDHM
CC(=O)N1Cc2ccccc2C(=O)C(=Cc2cccc(-c3nn[n-]n3)c2)C1	ZINC000823975170	609405875	/nfs/dbraw/zinc/40/58/75/609405875.db2.gz	VGAGLBLPTOBSSC-YVLHZVERSA-N	-1	3	359.389	2.495	20	30		FEEDHM
O=C1Nc2cc(F)ccc2C1=NNc1ccc(-c2nnn[n-]2)c(Cl)c1	ZINC000826483780	609474489	/nfs/dbraw/zinc/47/44/89/609474489.db2.gz	ZRHVKKRSCDGCND-UHFFFAOYSA-N	-1	3	357.736	2.428	20	30		FEEDHM
O=C1Nc2cc(F)ccc2C1=NNc1ccc(-c2nn[n-]n2)c(Cl)c1	ZINC000826483780	609474491	/nfs/dbraw/zinc/47/44/91/609474491.db2.gz	ZRHVKKRSCDGCND-UHFFFAOYSA-N	-1	3	357.736	2.428	20	30		FEEDHM
N#CCCCNC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1	ZINC000826381739	609516666	/nfs/dbraw/zinc/51/66/66/609516666.db2.gz	XEQVOYLGZVMSIL-UHFFFAOYSA-N	-1	3	362.393	2.479	20	30		FEEDHM
N#CCCCNC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1	ZINC000826381739	609516668	/nfs/dbraw/zinc/51/66/68/609516668.db2.gz	XEQVOYLGZVMSIL-UHFFFAOYSA-N	-1	3	362.393	2.479	20	30		FEEDHM
C#CCN(C1CCCC1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl	ZINC000823844663	609554566	/nfs/dbraw/zinc/55/45/66/609554566.db2.gz	FQDFDQUTRUVRGI-UHFFFAOYSA-N	-1	3	365.846	2.087	20	30		FEEDHM
C#CCN(C1CCCC1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl	ZINC000823844663	609554568	/nfs/dbraw/zinc/55/45/68/609554568.db2.gz	FQDFDQUTRUVRGI-UHFFFAOYSA-N	-1	3	365.846	2.087	20	30		FEEDHM
CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1	ZINC000824100269	609557214	/nfs/dbraw/zinc/55/72/14/609557214.db2.gz	PBUHJCKQCYQYFZ-KRWDZBQOSA-N	-1	3	374.376	2.206	20	30		FEEDHM
CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1	ZINC000824100269	609557216	/nfs/dbraw/zinc/55/72/16/609557216.db2.gz	PBUHJCKQCYQYFZ-KRWDZBQOSA-N	-1	3	374.376	2.206	20	30		FEEDHM
Cn1ncc(C=NNc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)n1	ZINC000814829808	674882618	/nfs/dbraw/zinc/88/26/18/674882618.db2.gz	LGCFDIWTHUDARY-UHFFFAOYSA-N	-1	3	356.411	2.062	20	30		FEEDHM
CCOc1ccc(C[N-]S(=O)(=O)c2cccnc2C#N)cc1Cl	ZINC000564671857	675050611	/nfs/dbraw/zinc/05/06/11/675050611.db2.gz	KKNAIDJQAYOKEV-UHFFFAOYSA-N	-1	3	351.815	2.484	20	30		FEEDHM
Cc1csc(SCc2ccc(C(=O)N[C@H]3CCN([O-])C3=O)cc2)n1	ZINC000816693015	675073281	/nfs/dbraw/zinc/07/32/81/675073281.db2.gz	AEAUXXLUMUPAMN-ZDUSSCGKSA-N	-1	3	363.464	2.464	20	30		FEEDHM
C[C@@H](Sc1ccc(Br)cc1)C(=O)N[C@H]1CCCN([O-])C1=O	ZINC000816755713	675077520	/nfs/dbraw/zinc/07/75/20/675077520.db2.gz	HLDCXJKETQCZDX-SKDRFNHKSA-N	-1	3	373.272	2.426	20	30		FEEDHM
CCCOc1c(Cl)cc(C(=O)N[C@@H]2CCCN([O-])C2=O)cc1OC	ZINC000816756577	675078109	/nfs/dbraw/zinc/07/81/09/675078109.db2.gz	ZXDBPOQNRGMJDX-GFCCVEGCSA-N	-1	3	356.806	2.247	20	30		FEEDHM
CC(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C#N)C(C)(C)C)ccc1F	ZINC000085431100	670680286	/nfs/dbraw/zinc/68/02/86/670680286.db2.gz	QKGIIAMMUFMYAI-AWEZNQCLSA-N	-1	3	355.435	2.180	20	30		FEEDHM
Cc1nc([C@](C)([N-]S(=O)(=O)CC2(C#N)CCCCC2)C2CC2)no1	ZINC000580274279	671794122	/nfs/dbraw/zinc/79/41/22/671794122.db2.gz	CHUVHVGHABVGJM-OAHLLOKOSA-N	-1	3	352.460	2.397	20	30		FEEDHM
Cc1noc(C)c1C[N-]S(=O)(=O)c1cc(Br)ccc1C#N	ZINC000583878092	672135103	/nfs/dbraw/zinc/13/51/03/672135103.db2.gz	MJRGCTAXNTZLSM-UHFFFAOYSA-N	-1	3	370.228	2.404	20	30		FEEDHM
N#Cc1cc(C(=O)Nc2cc(I)ccc2[O-])c[nH]1	ZINC000611515474	676042037	/nfs/dbraw/zinc/04/20/37/676042037.db2.gz	UAJOQWTTYPLWPN-UHFFFAOYSA-N	-1	3	353.119	2.449	20	30		FEEDHM
C#CCC[C@H](O)C[N-]S(=O)(=O)c1c(Cl)cccc1Br	ZINC000717859012	673077056	/nfs/dbraw/zinc/07/70/56/673077056.db2.gz	IYGKJYWDFUHDNB-VIFPVBQESA-N	-1	3	366.664	2.155	20	30		FEEDHM
Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)NC[C@@]1(C)CCCS1	ZINC000329817224	673084079	/nfs/dbraw/zinc/08/40/79/673084079.db2.gz	WMKIJOGMWJRLHG-IINYFYTJSA-N	-1	3	361.489	2.200	20	30		FEEDHM
C=CCOCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F	ZINC000594850492	673162915	/nfs/dbraw/zinc/16/29/15/673162915.db2.gz	PSXHNKFNBGYGIX-UHFFFAOYSA-N	-1	3	368.333	2.485	20	30		FEEDHM
O=S(=O)(Cc1ccccc1)[N-]N=Cc1ccc(Br)cn1	ZINC000733747668	673436657	/nfs/dbraw/zinc/43/66/57/673436657.db2.gz	VXLZQVJDSIZGKC-UHFFFAOYSA-N	-1	3	354.229	2.298	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)OCc2cccc(C)n2)ccc1F	ZINC000736774565	673539509	/nfs/dbraw/zinc/53/95/09/673539509.db2.gz	FPILNXPAYXOCFT-UHFFFAOYSA-N	-1	3	364.398	2.350	20	30		FEEDHM
CSc1nc(C2CC2)cc(C(=O)NCc2cnc(C)[n-]c2=O)c1C#N	ZINC000542388963	673578700	/nfs/dbraw/zinc/57/87/00/673578700.db2.gz	ZJNUUWIPEPXROT-UHFFFAOYSA-N	-1	3	355.423	2.287	20	30		FEEDHM
COC(=O)[C@]1([N-]S(=O)(=O)Cc2ccc(C#N)cc2)CCCC(C)(C)C1	ZINC000599412291	673672083	/nfs/dbraw/zinc/67/20/83/673672083.db2.gz	JZOGCWNISYPZKE-SFHVURJKSA-N	-1	3	364.467	2.490	20	30		FEEDHM
Cc1cc(C2([N-]S(=O)(=O)c3cccc(CC#N)c3)CCOCC2)on1	ZINC000599514301	673687056	/nfs/dbraw/zinc/68/70/56/673687056.db2.gz	GHJGLVNTWVRZFY-UHFFFAOYSA-N	-1	3	361.423	2.033	20	30		FEEDHM
C#CC[N-]S(=O)(=O)c1c(Br)cc(C)cc1Br	ZINC000742271894	673717498	/nfs/dbraw/zinc/71/74/98/673717498.db2.gz	OLIPJBOHDNHAER-UHFFFAOYSA-N	-1	3	367.062	2.432	20	30		FEEDHM
C#CCCC[N-]S(=O)(=O)c1cc(Br)cc(F)c1OC	ZINC000742333677	673723760	/nfs/dbraw/zinc/72/37/60/673723760.db2.gz	KRUHMFVYKQPYFJ-UHFFFAOYSA-N	-1	3	350.209	2.289	20	30		FEEDHM
CC(C)CCCNC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000742527069	673729702	/nfs/dbraw/zinc/72/97/02/673729702.db2.gz	VVCLKLMLCJEXPG-ZDUSSCGKSA-N	-1	3	351.472	2.056	20	30		FEEDHM
CCOC(=O)[C@H](Cc1cccc(Cl)c1)[N-]S(=O)(=O)CCCC#N	ZINC000546059399	673789598	/nfs/dbraw/zinc/78/95/98/673789598.db2.gz	ZPCYQNWCZBUAPT-AWEZNQCLSA-N	-1	3	358.847	2.037	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)OCC(F)(F)C(F)F)ccc1F	ZINC000744688106	673806766	/nfs/dbraw/zinc/80/67/66/673806766.db2.gz	NNXWAALLFMZPCP-UHFFFAOYSA-N	-1	3	373.299	2.347	20	30		FEEDHM
C=CCSCCNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1	ZINC000745115355	673826083	/nfs/dbraw/zinc/82/60/83/673826083.db2.gz	FJQLTLNKTRJYNS-UHFFFAOYSA-N	-1	3	360.476	2.161	20	30		FEEDHM
O=C(N[C@H]1CCCN([O-])C1=O)c1cc(Cl)cc(F)c1Br	ZINC000820477312	675364974	/nfs/dbraw/zinc/36/49/74/675364974.db2.gz	XCFJGAJBAWXUFW-VIFPVBQESA-N	-1	3	365.586	2.352	20	30		FEEDHM
O=C(CSCc1coc(-c2ccccc2)n1)N[C@@H]1CCCN([O-])C1=O	ZINC000820482947	675365365	/nfs/dbraw/zinc/36/53/65/675365365.db2.gz	UYSRJADFWKFSEG-CQSZACIVSA-N	-1	3	361.423	2.071	20	30		FEEDHM
C=CC[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)C1	ZINC000657094220	677943233	/nfs/dbraw/zinc/94/32/33/677943233.db2.gz	OTZVPYACTSBAMK-LLVKDONJSA-N	-1	3	367.862	2.497	20	30		FEEDHM
C=CC[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)C1	ZINC000657094220	677943237	/nfs/dbraw/zinc/94/32/37/677943237.db2.gz	OTZVPYACTSBAMK-LLVKDONJSA-N	-1	3	367.862	2.497	20	30		FEEDHM
N#C[C@@]1(F)CCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1	ZINC000615825838	676231070	/nfs/dbraw/zinc/23/10/70/676231070.db2.gz	TZVJLQKIRUMWLY-HNNXBMFYSA-N	-1	3	364.174	2.368	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)CC1(C#N)CCC1)c1noc(Cc2ccccc2)n1	ZINC000616175788	676241688	/nfs/dbraw/zinc/24/16/88/676241688.db2.gz	QTSVWZLUBLOSOF-CYBMUJFWSA-N	-1	3	360.439	2.335	20	30		FEEDHM
CCOC(=O)c1ccc(C[N-]S(=O)(=O)Cc2ccc(C#N)cc2F)o1	ZINC000616423053	676249771	/nfs/dbraw/zinc/24/97/71/676249771.db2.gz	NXJQLCNSBWMBBM-UHFFFAOYSA-N	-1	3	366.370	2.087	20	30		FEEDHM
C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)[N-]S(=O)(=O)c1c(C)noc1C	ZINC000617034965	676267824	/nfs/dbraw/zinc/26/78/24/676267824.db2.gz	GJNRWDAQTAAYLR-NWANDNLSSA-N	-1	3	369.487	2.209	20	30		FEEDHM
CS(=O)(=O)c1ccc(F)c([N-]S(=O)(=O)c2cccc(CC#N)c2)c1	ZINC000619461679	676377574	/nfs/dbraw/zinc/37/75/74/676377574.db2.gz	PIEKJGVGQOWVGX-UHFFFAOYSA-N	-1	3	368.411	2.096	20	30		FEEDHM
CC(C)[C@H](C#N)[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1	ZINC000829804996	677013664	/nfs/dbraw/zinc/01/36/64/677013664.db2.gz	NAVBIWRBUGWOQC-VIFPVBQESA-N	-1	3	352.641	2.324	20	30		FEEDHM
COc1cc(C=NNC2=N[C@@H]3CCCC[C@@H]3N2)cc(Br)c1[O-]	ZINC000753941351	680325749	/nfs/dbraw/zinc/32/57/49/680325749.db2.gz	YVDXEFYVCCPFFU-TXEJJXNPSA-N	-1	3	367.247	2.357	20	30		FEEDHM
Cc1ccc(S(=O)(=O)NN=Cc2ccc([O-])c(F)c2)cc1[N+](=O)[O-]	ZINC000755472233	680416524	/nfs/dbraw/zinc/41/65/24/680416524.db2.gz	QAGMVIZSWQIJJG-UHFFFAOYSA-N	-1	3	353.331	2.060	20	30		FEEDHM
O=S(=O)(CCc1ccccc1)[N-]N=Cc1cnc([C@H]2CCCO2)s1	ZINC000755752808	680433612	/nfs/dbraw/zinc/43/36/12/680433612.db2.gz	CRKKJDLINOLAKJ-OAHLLOKOSA-N	-1	3	365.480	2.491	20	30		FEEDHM
C=CCO[N-]C(=O)[C@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1	ZINC000837044335	680546290	/nfs/dbraw/zinc/54/62/90/680546290.db2.gz	LKXFTYSPJXLKFP-LBPRGKRZSA-N	-1	3	354.353	2.374	20	30		FEEDHM
N#CC1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CCC1	ZINC000841576162	680901491	/nfs/dbraw/zinc/90/14/91/680901491.db2.gz	VSQVCYLXAZMBHP-UHFFFAOYSA-N	-1	3	374.216	2.329	20	30		FEEDHM
N#Cc1csc(COC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])n1	ZINC000842064897	680924820	/nfs/dbraw/zinc/92/48/20/680924820.db2.gz	CAGQFPRGWJOYHM-ZDUSSCGKSA-N	-1	3	357.391	2.068	20	30		FEEDHM
N#Cc1ccc(N2CCN(CCC[N-]C(=O)C(F)(F)F)CC2)c(Cl)c1	ZINC000769920760	681000782	/nfs/dbraw/zinc/00/07/82/681000782.db2.gz	LXVDGNNDTBPMKH-UHFFFAOYSA-N	-1	3	374.794	2.402	20	30		FEEDHM
CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)N[C@H]2CCCN([O-])C2=O)c1	ZINC000848136922	681478569	/nfs/dbraw/zinc/47/85/69/681478569.db2.gz	UOVMMOQPKNHNJX-AWEZNQCLSA-N	-1	3	367.833	2.435	20	30		FEEDHM
O=C(N[C@H]1CCCN([O-])C1=O)c1ccn(-c2ccc(Cl)cc2Cl)n1	ZINC000848136232	681478600	/nfs/dbraw/zinc/47/86/00/681478600.db2.gz	UTZNDIYSPQNVAN-LBPRGKRZSA-N	-1	3	369.208	2.289	20	30		FEEDHM
O=C(CCCc1ccc(Br)s1)N[C@@H]1CCCN([O-])C1=O	ZINC000848139327	681478686	/nfs/dbraw/zinc/47/86/86/681478686.db2.gz	ZWGYXTINFXKYRW-SNVBAGLBSA-N	-1	3	361.261	2.330	20	30		FEEDHM
CC[C@H](C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)N(CC)CC	ZINC000778634406	681632642	/nfs/dbraw/zinc/63/26/42/681632642.db2.gz	OPJLEJYLZWSIEF-CQSZACIVSA-N	-1	3	357.863	2.137	20	30		FEEDHM
CC[C@](C)(C#N)[N-]C(=O)C(F)(F)c1ccccc1OCC(=O)N(C)C	ZINC000778677518	681638867	/nfs/dbraw/zinc/63/88/67/681638867.db2.gz	AJRWLQBDKPLODY-MRXNPFEDSA-N	-1	3	353.369	2.054	20	30		FEEDHM
COC(=O)[C@@H]([N-]S(=O)(=O)Cc1c(C)cc(C#N)cc1C)C(C)(C)C	ZINC000914120959	685495276	/nfs/dbraw/zinc/49/52/76/685495276.db2.gz	GPNDCZMQGMVLSZ-OAHLLOKOSA-N	-1	3	352.456	2.182	20	30		FEEDHM
CCOc1cc(C=NNC(=S)NC[C@@H]2CCCO2)cc(Cl)c1[O-]	ZINC000916311314	685523555	/nfs/dbraw/zinc/52/35/55/685523555.db2.gz	ANXYBLKEULURMH-NSHDSACASA-N	-1	3	357.863	2.421	20	30		FEEDHM
Cc1ccccc1C1N=NC(=S)N1N=Cc1c([O-])c(C)ncc1CO	ZINC000916341643	685523699	/nfs/dbraw/zinc/52/36/99/685523699.db2.gz	IAHYTYMFBJHUDW-UHFFFAOYSA-N	-1	3	355.423	2.326	20	30		FEEDHM
CC(C)[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OCC1CCCC1	ZINC000918825450	685542538	/nfs/dbraw/zinc/54/25/38/685542538.db2.gz	XEDRNLVEAVAONA-INIZCTEOSA-N	-1	3	364.467	2.483	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)OC[C@@H]2CC[C@H](C)O2)ccc1F	ZINC000789017127	682573751	/nfs/dbraw/zinc/57/37/51/682573751.db2.gz	AYJKTLLASAQTPL-AAEUAGOBSA-N	-1	3	357.403	2.014	20	30		FEEDHM
O=C(Cc1c(Cl)cccc1Br)N[C@@H]1CCCN([O-])C1=O	ZINC000854648671	682575095	/nfs/dbraw/zinc/57/50/95/682575095.db2.gz	HSGBYMRVMHYWGM-LLVKDONJSA-N	-1	3	361.623	2.141	20	30		FEEDHM
C[C@H](CC(=O)OC[C@@H](C)C1CC1)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000789608117	682621391	/nfs/dbraw/zinc/62/13/91/682621391.db2.gz	RNFGQMBCWQLPOY-VXGBXAGGSA-N	-1	3	350.440	2.093	20	30		FEEDHM
CCC(C)(C)[C@H](C)NC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000855368907	682662151	/nfs/dbraw/zinc/66/21/51/682662151.db2.gz	WVENWKVQSXAJNJ-OLZOCXBDSA-N	-1	3	365.499	2.445	20	30		FEEDHM
C#C[C@H](CCC)NC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1	ZINC000790604734	682687545	/nfs/dbraw/zinc/68/75/45/682687545.db2.gz	XTMDPYIGYYHEGA-GFCCVEGCSA-N	-1	3	353.444	2.380	20	30		FEEDHM
CC(C)CC1(NC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)CC1	ZINC000856190700	682752252	/nfs/dbraw/zinc/75/22/52/682752252.db2.gz	CLYYQXBIVDGLNP-CYBMUJFWSA-N	-1	3	363.483	2.199	20	30		FEEDHM
CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@](C)(C#N)C2)ccc1F	ZINC000856195608	682752608	/nfs/dbraw/zinc/75/26/08/682752608.db2.gz	RGXPBXZRUKGGPN-KRWDZBQOSA-N	-1	3	367.446	2.278	20	30		FEEDHM
C[C@H](CC(=O)OCCCCCF)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000791972443	682778638	/nfs/dbraw/zinc/77/86/38/682778638.db2.gz	YMLNSAWGMXNDPW-GFCCVEGCSA-N	-1	3	356.419	2.187	20	30		FEEDHM
C[C@@H](CC(=O)NC[C@H]1CC[C@@H](C)C1)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000794251402	682949990	/nfs/dbraw/zinc/94/99/90/682949990.db2.gz	NIBUFBPMUOKWMD-RDBSUJKOSA-N	-1	3	363.483	2.056	20	30		FEEDHM
O=C1CN(N=Cc2ccc(OC(F)(F)F)c(Br)c2)C(=O)[N-]1	ZINC000794481272	682972453	/nfs/dbraw/zinc/97/24/53/682972453.db2.gz	IMKWIKBHXXLBOT-UHFFFAOYSA-N	-1	3	366.093	2.233	20	30		FEEDHM
CN(C)S(=O)(=O)C[C@@H](/N=C\c1cc(Cl)ccc1[O-])C(F)(F)F	ZINC000794677797	682989412	/nfs/dbraw/zinc/98/94/12/682989412.db2.gz	YNPOUAIURRUPMC-YRMGLCMGSA-N	-1	3	358.769	2.287	20	30		FEEDHM
C#CCC[C@@H](O)C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F	ZINC000798486764	683358284	/nfs/dbraw/zinc/35/82/84/683358284.db2.gz	JKEXJJGJTGONMQ-SNVBAGLBSA-N	-1	3	355.765	2.411	20	30		FEEDHM
O=C(N[C@H]1CCCN([O-])C1=O)c1cc(-c2cccc(Cl)c2F)no1	ZINC000868563054	684511773	/nfs/dbraw/zinc/51/17/73/684511773.db2.gz	OVJWHNGSFXWQPQ-JTQLQIEISA-N	-1	3	353.737	2.244	20	30		FEEDHM
C=C(C)C[C@@H]([N-]S(=O)(=O)c1cnccc1C(F)(F)F)C(=O)OCC	ZINC000882644372	687424968	/nfs/dbraw/zinc/42/49/68/687424968.db2.gz	CDGWADHPUSZONN-LLVKDONJSA-N	-1	3	366.361	2.277	20	30		FEEDHM
C=C(C)C[C@@H](CO)[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F	ZINC000882848695	687512651	/nfs/dbraw/zinc/51/26/51/687512651.db2.gz	ORCNWYAFWNZVHF-JTQLQIEISA-N	-1	3	364.826	2.043	20	30		FEEDHM
C[C@H](CC(=O)NCC(C)(C)C1CC1)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000887376487	688416088	/nfs/dbraw/zinc/41/60/88/688416088.db2.gz	BCMNXUQYJFCPCJ-GFCCVEGCSA-N	-1	3	363.483	2.056	20	30		FEEDHM
CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NC/C=C/Cl	ZINC000891217934	689033956	/nfs/dbraw/zinc/03/39/56/689033956.db2.gz	RXFQHTFLEUYOJG-LJLILKBBSA-N	-1	3	369.874	2.009	20	30		FEEDHM
C=CCC[C@@H](NC(=O)NCC1(N2CCSCC2)CCCC1)C(=O)[O-]	ZINC000908853118	691740928	/nfs/dbraw/zinc/74/09/28/691740928.db2.gz	YTIVUCLAFMEBCP-CQSZACIVSA-N	-1	3	355.504	2.067	20	30		FEEDHM
C#CCN(C)CCCNC(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1	ZINC000909036829	939372361	/nfs/dbraw/zinc/37/23/61/939372361.db2.gz	AZOXRIUIIAKETF-SFHVURJKSA-N	-1	3	353.422	2.220	20	30		FEEDHM
N#Cc1c(F)cccc1-n1ccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)n1	ZINC000512958879	538983234	/nfs/dbraw/zinc/98/32/34/538983234.db2.gz	QAAVXQGYGWAPRN-UHFFFAOYSA-N	-1	3	368.284	2.144	20	30		FEEDHM
Cn1ccnc1[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1)c1ccccc1F	ZINC000017522134	539642186	/nfs/dbraw/zinc/64/21/86/539642186.db2.gz	CWCXQJHXPBENPK-KRWDZBQOSA-N	-1	3	370.409	2.499	20	30		FEEDHM
CCOC(=O)CSc1nnc([N-]C(=O)c2ccc(C#N)c(C)n2)s1	ZINC000029020913	539840612	/nfs/dbraw/zinc/84/06/12/539840612.db2.gz	JNMRFVNEGHRERU-UHFFFAOYSA-N	-1	3	363.424	2.021	20	30		FEEDHM
N#Cc1cccc(C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2[O-])c1	ZINC000047277604	540300963	/nfs/dbraw/zinc/30/09/63/540300963.db2.gz	LOPYOQPZVQEUQH-UHFFFAOYSA-N	-1	3	357.391	2.056	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCc2ccc([N+](=O)[O-])cc21	ZINC000054451623	540590608	/nfs/dbraw/zinc/59/06/08/540590608.db2.gz	ORPGUARFEHGMDS-UHFFFAOYSA-N	-1	3	366.377	2.294	20	30		FEEDHM
C=CCCO[C@H](C)C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1	ZINC000066319911	541301463	/nfs/dbraw/zinc/30/14/63/541301463.db2.gz	AMZSRQUPKYTUOO-GFCCVEGCSA-N	-1	3	356.444	2.377	20	30		FEEDHM
C=C(C)CN1CCC(NC(=O)c2cc(=O)n(-c3ccc(C)cc3)[n-]2)CC1	ZINC000073436803	541953834	/nfs/dbraw/zinc/95/38/34/541953834.db2.gz	SPOOCIFMIIVUKW-UHFFFAOYSA-N	-1	3	354.454	2.244	20	30		FEEDHM
N#Cc1ccc(C(=O)C[N-]S(=O)(=O)Cc2noc3ccccc32)cc1	ZINC000551202459	674130537	/nfs/dbraw/zinc/13/05/37/674130537.db2.gz	AABJDJCZKXTZAM-UHFFFAOYSA-N	-1	3	355.375	2.002	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1ccc(F)c(C#N)c1	ZINC000076881073	542327438	/nfs/dbraw/zinc/32/74/38/542327438.db2.gz	SEXMZTNRXYAESG-VIFPVBQESA-N	-1	3	353.400	2.064	20	30		FEEDHM
C=CCN(Cc1cc(Br)ccc1[O-])[C@@H]1CCS(=O)(=O)C1	ZINC000092360941	542859996	/nfs/dbraw/zinc/85/99/96/542859996.db2.gz	FHBPHVWBNUNPOG-CYBMUJFWSA-N	-1	3	360.273	2.330	20	30		FEEDHM
N#CCN1CCN(C(=O)c2cc(OCc3ccccc3)ccc2[O-])CC1	ZINC000094161650	542955376	/nfs/dbraw/zinc/95/53/76/542955376.db2.gz	VFCXPBMLLHIIRA-UHFFFAOYSA-N	-1	3	351.406	2.253	20	30		FEEDHM
Cc1nc(C)c(CCC(=O)N[C@](C)(C#N)CCc2ccccc2)c(=O)[n-]1	ZINC000110843131	543369977	/nfs/dbraw/zinc/36/99/77/543369977.db2.gz	VKIXXSCULIBFNP-FQEVSTJZSA-N	-1	3	352.438	2.351	20	30		FEEDHM
Cn1cc(C(N)=O)cc1C([O-])=C(C#N)c1nc(-c2ccncc2)cs1	ZINC000120721763	543683473	/nfs/dbraw/zinc/68/34/73/543683473.db2.gz	WKFLLPDLQHMSPR-GFCCVEGCSA-N	-1	3	351.391	2.133	20	30		FEEDHM
CCN(C[C@@H](C)C#N)C(=O)CN1CCC(C(=O)Nc2ccccc2[O-])CC1	ZINC000121260832	543691449	/nfs/dbraw/zinc/69/14/49/543691449.db2.gz	GHAFQHLORBOTLN-HNNXBMFYSA-N	-1	3	372.469	2.051	20	30		FEEDHM
N#Cc1cc(NC(=O)CCn2[n-]c(=O)c3ccccc3c2=O)ccc1Cl	ZINC000122106726	543703916	/nfs/dbraw/zinc/70/39/16/543703916.db2.gz	WMUULYZJACYATA-UHFFFAOYSA-N	-1	3	368.780	2.244	20	30		FEEDHM
CN(C)c1nc(C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)cs1	ZINC000124381062	543817840	/nfs/dbraw/zinc/81/78/40/543817840.db2.gz	UIOMMZQOJFCXMD-UHFFFAOYSA-N	-1	3	356.860	2.213	20	30		FEEDHM
N#Cc1csc(CNCC[N-]S(=O)(=O)c2ccc(Cl)s2)c1	ZINC000127903660	544020996	/nfs/dbraw/zinc/02/09/96/544020996.db2.gz	PMKDUNYWZCRZRF-UHFFFAOYSA-N	-1	3	361.901	2.403	20	30		FEEDHM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C#N)C1CCCCC1	ZINC000128966333	544083153	/nfs/dbraw/zinc/08/31/53/544083153.db2.gz	XEOTYUOHGSYHMD-ZDUSSCGKSA-N	-1	3	353.400	2.354	20	30		FEEDHM
N#Cc1ccc(NC(=O)C(=O)NCc2ccc([O-])c(Br)c2)cc1	ZINC000132307497	544226683	/nfs/dbraw/zinc/22/66/83/544226683.db2.gz	IUKNOWUGHCGZDG-UHFFFAOYSA-N	-1	3	374.194	2.281	20	30		FEEDHM
C=C(C)COCC[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F	ZINC000133089827	544255358	/nfs/dbraw/zinc/25/53/58/544255358.db2.gz	OFAIWMPHAPLTRL-UHFFFAOYSA-N	-1	3	364.826	2.309	20	30		FEEDHM
Cc1cc(=O)[n-]c(-c2cccc(NC(=O)C#Cc3ccc4c(c3)OCO4)c2)n1	ZINC000134106178	544294171	/nfs/dbraw/zinc/29/41/71/544294171.db2.gz	SUFVPMSGUYDPKC-UHFFFAOYSA-N	-1	3	373.368	2.464	20	30		FEEDHM
C#C[C@@H](C)Oc1ccc(COC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C)cc1	ZINC000802811535	674199652	/nfs/dbraw/zinc/19/96/52/674199652.db2.gz	JWFXHVQXUAMNJK-CZUORRHYSA-N	-1	3	367.467	2.094	20	30		FEEDHM
C[C@@]1(c2cccc(NC(=O)C3(c4ccc(C#N)cc4)CC3)c2)NC(=O)[N-]C1=O	ZINC000188167954	328070870	/nfs/dbraw/zinc/07/08/70/328070870.db2.gz	HNJZNXCFQWDCAK-FQEVSTJZSA-N	-1	3	374.400	2.283	20	30		FEEDHM
COC(=O)CC1([N-]S(=O)(=O)c2ccc(Cl)cc2C#N)CCCC1	ZINC000193017077	328352416	/nfs/dbraw/zinc/35/24/16/328352416.db2.gz	NIYAHQHBOHCXMB-UHFFFAOYSA-N	-1	3	356.831	2.366	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)CCOc1ccccc1	ZINC000018072994	324389649	/nfs/dbraw/zinc/38/96/49/324389649.db2.gz	MXVNOSNBHUITJN-UHFFFAOYSA-N	-1	3	353.422	2.333	20	30		FEEDHM
CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C12CCC2	ZINC000122145958	326385463	/nfs/dbraw/zinc/38/54/63/326385463.db2.gz	VHAZOOOAJSKPJJ-HUUCEWRRSA-N	-1	3	365.411	2.092	20	30		FEEDHM
CC(C)[C@@H](CCO)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000122577784	326402178	/nfs/dbraw/zinc/40/21/78/326402178.db2.gz	NFCIYVCXEKXXSC-GFCCVEGCSA-N	-1	3	350.362	2.262	20	30		FEEDHM
CN(Cc1cccc(C#N)c1)C(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1	ZINC000124053018	326446980	/nfs/dbraw/zinc/44/69/80/326446980.db2.gz	GPBAVNKJYJLYQL-UHFFFAOYSA-N	-1	3	361.398	2.341	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)CC(=O)c1ccco1	ZINC000158138699	326886209	/nfs/dbraw/zinc/88/62/09/326886209.db2.gz	PIDGSMDLTMCMCG-LLVKDONJSA-N	-1	3	355.394	2.167	20	30		FEEDHM
Cc1ocnc1C[N-]S(=O)(=O)c1cc(Br)cc(C#N)c1	ZINC000161999869	327014190	/nfs/dbraw/zinc/01/41/90/327014190.db2.gz	OTQGJMLVZMOZIA-UHFFFAOYSA-N	-1	3	356.201	2.096	20	30		FEEDHM
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]Cc1cc(C#N)ccc1F	ZINC000173741606	327280596	/nfs/dbraw/zinc/28/05/96/327280596.db2.gz	HALZJPFPOISPJU-UHFFFAOYSA-N	-1	3	365.342	2.093	20	30		FEEDHM
CCc1nnc(N2CCN(C(=O)c3cccc([O-])c3)CC2)c(C#N)c1CC	ZINC000268177444	329393565	/nfs/dbraw/zinc/39/35/65/329393565.db2.gz	KTJYUMDEOWOOAS-UHFFFAOYSA-N	-1	3	365.437	2.141	20	30		FEEDHM
CN(C)C(=O)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C#N)C1	ZINC000269687893	329540220	/nfs/dbraw/zinc/54/02/20/329540220.db2.gz	VWONQDMRGOJHDB-BXUZGUMPSA-N	-1	3	369.874	2.137	20	30		FEEDHM
C#CCN(Cc1ccccc1)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C)c1	ZINC000804832572	674302929	/nfs/dbraw/zinc/30/29/29/674302929.db2.gz	PLJDPUUMCHMQOT-UHFFFAOYSA-N	-1	3	360.410	2.009	20	30		FEEDHM
N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CCCOCC(F)(F)F	ZINC000156427842	545627142	/nfs/dbraw/zinc/62/71/42/545627142.db2.gz	MWYCKPRKLQDECF-UHFFFAOYSA-N	-1	3	356.753	2.459	20	30		FEEDHM
CN(C)C(=O)C1(C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)CCCC1	ZINC000157549478	545753376	/nfs/dbraw/zinc/75/33/76/545753376.db2.gz	YBOLKOVKAFPCEF-UHFFFAOYSA-N	-1	3	369.874	2.139	20	30		FEEDHM
CS(=O)(=O)[N-]c1cc(C(=O)NCCc2cccc(C#N)c2)ccc1F	ZINC000477882194	561155481	/nfs/dbraw/zinc/15/54/81/561155481.db2.gz	SGOCRQGVRKIPEH-UHFFFAOYSA-N	-1	3	361.398	2.041	20	30		FEEDHM
N#Cc1ccc(N2CCC(NC(=O)NCc3ccc([O-])c(F)c3)CC2)nc1	ZINC000158790410	545895574	/nfs/dbraw/zinc/89/55/74/545895574.db2.gz	VFOIJRHGBWGWAS-UHFFFAOYSA-N	-1	3	369.400	2.266	20	30		FEEDHM
CCCn1c(=O)[n-]c(=O)c2c(C(=O)N[C@](C)(C#N)CC)cc(C(C)C)nc21	ZINC000162054021	546136665	/nfs/dbraw/zinc/13/66/65/546136665.db2.gz	JMUQZOZSXQHYHH-IBGZPJMESA-N	-1	3	371.441	2.040	20	30		FEEDHM
C=CCOc1ccccc1C[N-]S(=O)(=O)c1ccc(C(=O)OCC)o1	ZINC000479201952	561184371	/nfs/dbraw/zinc/18/43/71/561184371.db2.gz	NMHCOPDSHABFEX-UHFFFAOYSA-N	-1	3	365.407	2.500	20	30		FEEDHM
C=CC[C@@H](C)[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1Br	ZINC000173165673	546274786	/nfs/dbraw/zinc/27/47/86/546274786.db2.gz	WRJSXVYYLYIZMM-SECBINFHSA-N	-1	3	362.245	2.479	20	30		FEEDHM
Cn1c2ccc(S(=O)(=O)[N-]c3cc(C#N)ccc3Cl)cc2oc1=O	ZINC000176205437	546419628	/nfs/dbraw/zinc/41/96/28/546419628.db2.gz	VLANDANMKFZUME-UHFFFAOYSA-N	-1	3	363.782	2.457	20	30		FEEDHM
C[C@@H](C#N)CNC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1	ZINC000176475032	546450796	/nfs/dbraw/zinc/45/07/96/546450796.db2.gz	ZFLXLHQRGIHEKQ-JTQLQIEISA-N	-1	3	356.423	2.184	20	30		FEEDHM
CCOC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)[C@H](C)CC	ZINC000180049342	547044526	/nfs/dbraw/zinc/04/45/26/547044526.db2.gz	SKUUNGPGGREQLK-YGRLFVJLSA-N	-1	3	358.847	2.468	20	30		FEEDHM
COC(=O)c1cccc(CS(=O)(=O)[N-][C@]2(C#N)CCC[C@@H](C)C2)c1	ZINC000182012960	547422191	/nfs/dbraw/zinc/42/21/91/547422191.db2.gz	KAILQNRUPKHMBB-CXAGYDPISA-N	-1	3	350.440	2.365	20	30		FEEDHM
C#CCC(C)(C)C(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1	ZINC000184985256	547911752	/nfs/dbraw/zinc/91/17/52/547911752.db2.gz	YSSQIJUNWIXKSX-UHFFFAOYSA-N	-1	3	354.497	2.067	20	30		FEEDHM
CC(C)(C)CNC(=O)C(C)(C)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl	ZINC000185320283	547970055	/nfs/dbraw/zinc/97/00/55/547970055.db2.gz	RVOJJWHMTQPNEQ-UHFFFAOYSA-N	-1	3	371.890	2.431	20	30		FEEDHM
COC(=O)C[C@](C)([N-]S(=O)(=O)c1cccc(C)c1C#N)c1ccccn1	ZINC000485442721	561319252	/nfs/dbraw/zinc/31/92/52/561319252.db2.gz	HUYURZNBIVMESZ-SFHVURJKSA-N	-1	3	373.434	2.019	20	30		FEEDHM
COC(=O)C[C@](C)([N-]S(=O)(=O)c1cc(C#N)ccc1C)c1ccccn1	ZINC000485455565	561319486	/nfs/dbraw/zinc/31/94/86/561319486.db2.gz	ZOMGUGGONKERRB-SFHVURJKSA-N	-1	3	373.434	2.019	20	30		FEEDHM
C=CC[C@H](CO)NC(=O)/C=C/c1cc(Br)c([O-])c(OC)c1	ZINC000185792184	548035495	/nfs/dbraw/zinc/03/54/95/548035495.db2.gz	PDCZZJMQVCCRIZ-MVIFTORASA-N	-1	3	356.216	2.230	20	30		FEEDHM
C=CC[C@@H](CO)[N-]S(=O)(=O)c1ccc(Br)cc1Cl	ZINC000186666298	548169970	/nfs/dbraw/zinc/16/99/70/548169970.db2.gz	JSHACIILKUAFPF-VIFPVBQESA-N	-1	3	354.653	2.318	20	30		FEEDHM
CC(C#N)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccccc2F)cc1	ZINC000192128908	548359837	/nfs/dbraw/zinc/35/98/37/548359837.db2.gz	IQVXIUSHMVSLHK-NSHDSACASA-N	-1	3	368.411	2.312	20	30		FEEDHM
N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@@H]1[C@H]2CCO[C@H]2C12CCCC2	ZINC000246968301	549254073	/nfs/dbraw/zinc/25/40/73/549254073.db2.gz	SSTASXHBHRHKGI-FVQBIDKESA-N	-1	3	350.415	2.323	20	30		FEEDHM
N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2	ZINC000246968320	549254666	/nfs/dbraw/zinc/25/46/66/549254666.db2.gz	SSTASXHBHRHKGI-NUEKZKHPSA-N	-1	3	350.415	2.323	20	30		FEEDHM
CC1(C)C[C@@H]([N-]S(=O)(=O)c2cncc(C#N)c2)c2cc(N)ccc2O1	ZINC000262227264	549801037	/nfs/dbraw/zinc/80/10/37/549801037.db2.gz	NIQRYZUBYFUQAV-OAHLLOKOSA-N	-1	3	358.423	2.116	20	30		FEEDHM
Cn1c2ccccc2cc(C[N-]S(=O)(=O)c2ccc(F)cc2C#N)c1=O	ZINC000490335745	561431157	/nfs/dbraw/zinc/43/11/57/561431157.db2.gz	MPCBLMJAOVGNOI-UHFFFAOYSA-N	-1	3	371.393	2.028	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc2c(cc1N)OCO2	ZINC000262456769	549820955	/nfs/dbraw/zinc/82/09/55/549820955.db2.gz	UEEQISNKUVYULV-UHFFFAOYSA-N	-1	3	354.366	2.158	20	30		FEEDHM
C=CCn1c(=O)c2ccc(C(=O)NCCN(CC)C3CC3)cc2[n-]c1=S	ZINC000263776108	549935497	/nfs/dbraw/zinc/93/54/97/549935497.db2.gz	UNYIBXGLHHOTSR-UHFFFAOYSA-N	-1	3	372.494	2.085	20	30		FEEDHM
CCS(=O)(=O)[N-]c1ccc(NC(=O)NCCCCC#N)cc1OC	ZINC000264162427	549986918	/nfs/dbraw/zinc/98/69/18/549986918.db2.gz	WJASQJWARGWXJP-UHFFFAOYSA-N	-1	3	354.432	2.272	20	30		FEEDHM
N#CCOc1ccc(CN2CCN(C(=O)c3cccc([O-])c3)CC2)cc1	ZINC000266922745	550025825	/nfs/dbraw/zinc/02/58/25/550025825.db2.gz	MKXQSWCVCFYIHN-UHFFFAOYSA-N	-1	3	351.406	2.253	20	30		FEEDHM
C=CCCS(=O)(=O)[N-][C@H](C(=O)OC)c1ccc(Br)cc1	ZINC000268833354	550121303	/nfs/dbraw/zinc/12/13/03/550121303.db2.gz	FXLMCADSOLTKTA-LBPRGKRZSA-N	-1	3	362.245	2.159	20	30		FEEDHM
COc1ccc(C#N)cc1NC(=O)CCn1[n-]c(=O)c2ccccc2c1=O	ZINC000493147382	561454747	/nfs/dbraw/zinc/45/47/47/561454747.db2.gz	KHSQGGNIAABQJH-UHFFFAOYSA-N	-1	3	364.361	2.011	20	30		FEEDHM
Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCSC[C@H]2C#N)c1	ZINC000273463939	550499411	/nfs/dbraw/zinc/49/94/11/550499411.db2.gz	GNONJBDVHRHRFC-GFCCVEGCSA-N	-1	3	372.406	2.022	20	30		FEEDHM
C=C(C)[C@@H](Cc1nc(-c2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)no1)OCC	ZINC000273649934	550506603	/nfs/dbraw/zinc/50/66/03/550506603.db2.gz	CWUBHQUQGCYUFS-AUUYWEPGSA-N	-1	3	370.409	2.315	20	30		FEEDHM
CCCC[C@@H](ON=C(C)C)C(=O)Nc1ccc(C[C@H]2NC(=O)[N-]C2=O)cc1	ZINC000273676303	550507527	/nfs/dbraw/zinc/50/75/27/550507527.db2.gz	YKPXXLWIDSHPTC-HZPDHXFCSA-N	-1	3	374.441	2.347	20	30		FEEDHM
Cc1ccc(CN2CC[C@@H](/N=C/c3c([O-])c(C)ncc3CO)C2=O)cc1	ZINC000276692765	550585955	/nfs/dbraw/zinc/58/59/55/550585955.db2.gz	NHOVPCUQHRQYLT-WVCJYUAVSA-N	-1	3	353.422	2.116	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc([C@@H]2CCCO2)nn1C	ZINC000279255447	550870490	/nfs/dbraw/zinc/87/04/90/550870490.db2.gz	HPEHDJATLDVWMI-INIZCTEOSA-N	-1	3	369.425	2.432	20	30		FEEDHM
Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N3CC(C)(C#N)C3)cs2)c1	ZINC000281481587	551102901	/nfs/dbraw/zinc/10/29/01/551102901.db2.gz	DDHGJCKLQCXXRV-UHFFFAOYSA-N	-1	3	370.434	2.324	20	30		FEEDHM
COc1ccccc1[C@H]([N-]S(=O)(=O)N(C)C[C@@H](C)C#N)c1ccco1	ZINC000281716330	551134261	/nfs/dbraw/zinc/13/42/61/551134261.db2.gz	DQVWMQGYUWTTSS-GUYCJALGSA-N	-1	3	363.439	2.303	20	30		FEEDHM
N#CC1(CCCS(=O)(=O)c2nnc(Cc3ccccc3)[n-]2)CCOCC1	ZINC000282013428	551169232	/nfs/dbraw/zinc/16/92/32/551169232.db2.gz	XZYNHBKJQGTXGH-UHFFFAOYSA-N	-1	3	374.466	2.270	20	30		FEEDHM
COC(=O)c1ccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)nc1	ZINC000282595100	551249985	/nfs/dbraw/zinc/24/99/85/551249985.db2.gz	CLHQQOMYSUNFPY-UHFFFAOYSA-N	-1	3	354.366	2.029	20	30		FEEDHM
COc1ccc([C@@H](C)[N-]S(=O)(=O)c2cccnc2C#N)c(C)c1OC	ZINC000287561863	552019428	/nfs/dbraw/zinc/01/94/28/552019428.db2.gz	WGKMWXHIWGJOJK-GFCCVEGCSA-N	-1	3	361.423	2.318	20	30		FEEDHM
C=CCCCCCCNC(=O)N1CCC[C@H]1C[C@@]1(C)NC(=O)[N-]C1=O	ZINC000288089351	552088771	/nfs/dbraw/zinc/08/87/71/552088771.db2.gz	STOBHUCCPSFINK-KBXCAEBGSA-N	-1	3	350.463	2.285	20	30		FEEDHM
COCCCOc1cc(C)ccc1C[N-]S(=O)(=O)c1ccc(C#N)o1	ZINC000288242101	552117425	/nfs/dbraw/zinc/11/74/25/552117425.db2.gz	SKIPAORXXBUXKO-UHFFFAOYSA-N	-1	3	364.423	2.354	20	30		FEEDHM
COC(=O)c1c(C)nc(=O)[n-]c1SCCCC1(C#N)CCOCC1	ZINC000499927040	561562018	/nfs/dbraw/zinc/56/20/18/561562018.db2.gz	HZHYRYWPJWVXPI-UHFFFAOYSA-N	-1	3	351.428	2.470	20	30		FEEDHM
C=C(CNC(=O)NCC[N-]S(=O)(=O)c1cccs1)c1ccccc1	ZINC000499983752	561563506	/nfs/dbraw/zinc/56/35/06/561563506.db2.gz	PTANWBBXPJECGV-UHFFFAOYSA-N	-1	3	365.480	2.039	20	30		FEEDHM
C=C[C@@H](CO)[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F	ZINC000290291393	552454938	/nfs/dbraw/zinc/45/49/38/552454938.db2.gz	WOOZORAPJCLWBP-QMMMGPOBSA-N	-1	3	374.178	2.293	20	30		FEEDHM
CC(C)(C)OC(=O)c1cnc(C(=O)[N-]c2n[nH]c(C3CC3)c2C#N)cn1	ZINC000290300936	552456420	/nfs/dbraw/zinc/45/64/20/552456420.db2.gz	CFJJXJZQLVRSFD-UHFFFAOYSA-N	-1	3	354.370	2.156	20	30		FEEDHM
N#Cc1c([N-]C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)n[nH]c1C1CC1	ZINC000290374435	552468799	/nfs/dbraw/zinc/46/87/99/552468799.db2.gz	HCKDIBXUGYKDAW-UHFFFAOYSA-N	-1	3	355.310	2.090	20	30		FEEDHM
C=CCSCCNC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1	ZINC000290909267	552559780	/nfs/dbraw/zinc/55/97/80/552559780.db2.gz	WDXKJRKMOSZXGF-LLVKDONJSA-N	-1	3	353.410	2.006	20	30		FEEDHM
C=CCCCS(=O)(=O)[N-]c1ccc(Cl)c(S(=O)(=O)N(C)C)c1	ZINC000291907523	552673798	/nfs/dbraw/zinc/67/37/98/552673798.db2.gz	RRKILJYUTMSDMU-UHFFFAOYSA-N	-1	3	366.892	2.298	20	30		FEEDHM
C=CCCCS(=O)(=O)[N-][C@H](C(=O)OCC)c1ccc(OC)c(F)c1	ZINC000292530135	552735481	/nfs/dbraw/zinc/73/54/81/552735481.db2.gz	IWEHPSGVTXYQJQ-HNNXBMFYSA-N	-1	3	359.419	2.324	20	30		FEEDHM
CC[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C(C)(C)O	ZINC000293936018	552869299	/nfs/dbraw/zinc/86/92/99/552869299.db2.gz	ZFNYVNLNRDZMHO-LBPRGKRZSA-N	-1	3	350.362	2.405	20	30		FEEDHM
N#C[C@]1(C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)CC12CCCC2	ZINC000294746527	552931430	/nfs/dbraw/zinc/93/14/30/552931430.db2.gz	CSFITAQIAHEQGU-FQEVSTJZSA-N	-1	3	353.422	2.151	20	30		FEEDHM
N#CCCCC[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1	ZINC000295764657	553056361	/nfs/dbraw/zinc/05/63/61/553056361.db2.gz	SAIXVXNXZIDAMY-UHFFFAOYSA-N	-1	3	352.641	2.470	20	30		FEEDHM
N#Cc1cc(F)ccc1CS(=O)(=O)[N-][C@H]1CCO[C@@H]1c1cccnc1	ZINC000295803130	553061242	/nfs/dbraw/zinc/06/12/42/553061242.db2.gz	ASYHMBNPOGXFSO-DLBZAZTESA-N	-1	3	361.398	2.042	20	30		FEEDHM
CCOC(=O)C(C)(C)n1cc(NC(=O)[N-]c2snc(C)c2C#N)cn1	ZINC000297486077	553298803	/nfs/dbraw/zinc/29/88/03/553298803.db2.gz	SRHBPCKKPMVSOR-UHFFFAOYSA-N	-1	3	362.415	2.462	20	30		FEEDHM
CCC[C@@H](C)CS(=O)(=O)[N-][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000503777016	561648120	/nfs/dbraw/zinc/64/81/20/561648120.db2.gz	SXGOPRGRFQMXRD-RHSMWYFYSA-N	-1	3	363.483	2.409	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]CCOc2ncccc2F)c(Cl)c1	ZINC000503859516	561649111	/nfs/dbraw/zinc/64/91/11/561649111.db2.gz	LOCNGUPVXGECOF-UHFFFAOYSA-N	-1	3	355.778	2.103	20	30		FEEDHM
CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1nnc(-c2ccccn2)[n-]1	ZINC000505786439	561680709	/nfs/dbraw/zinc/68/07/09/561680709.db2.gz	ACTFFHPOVRSBIB-QGZVFWFLSA-N	-1	3	356.386	2.067	20	30		FEEDHM
CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1nc(-c2ccccn2)n[n-]1	ZINC000505786439	561680711	/nfs/dbraw/zinc/68/07/11/561680711.db2.gz	ACTFFHPOVRSBIB-QGZVFWFLSA-N	-1	3	356.386	2.067	20	30		FEEDHM
CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1n[n-]c(-c2ccccn2)n1	ZINC000505786439	561680712	/nfs/dbraw/zinc/68/07/12/561680712.db2.gz	ACTFFHPOVRSBIB-QGZVFWFLSA-N	-1	3	356.386	2.067	20	30		FEEDHM
Cc1ncc([N-]C(=O)c2sccc2S(=O)(=O)N2CCOCC2)s1	ZINC000328767913	553819217	/nfs/dbraw/zinc/81/92/17/553819217.db2.gz	FUNZHZCEIACIMN-UHFFFAOYSA-N	-1	3	373.481	2.170	20	30		FEEDHM
C[C@H](C(=O)Nc1nc2ccccc2s1)N1CCN2C(=O)[N-]C(=O)[C@H]2C1	ZINC000328929245	553846599	/nfs/dbraw/zinc/84/65/99/553846599.db2.gz	YKAZDRXWTDINQT-MWLCHTKSSA-N	-1	3	359.411	2.349	20	30		FEEDHM
N#Cc1ccc(N2CCC[C@H](NC(=O)C[C@@H]3NC(=O)[N-]C3=O)C2)c(F)c1	ZINC000328938712	553849286	/nfs/dbraw/zinc/84/92/86/553849286.db2.gz	GTSQDBJMCOJHSS-AAEUAGOBSA-N	-1	3	359.361	2.265	20	30		FEEDHM
CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CCC(F)(C#N)CC1	ZINC000506564005	561702171	/nfs/dbraw/zinc/70/21/71/561702171.db2.gz	GXIHZHNXDZSBQU-UHFFFAOYSA-N	-1	3	367.402	2.026	20	30		FEEDHM
Cc1ccc([C@H](NC(=O)CN2CCN3C(=O)[N-]C(=O)[C@@H]3C2)C2CC2)cc1	ZINC000329421478	553943599	/nfs/dbraw/zinc/94/35/99/553943599.db2.gz	HDIKLHJIMYVVRF-RDJZCZTQSA-N	-1	3	356.426	2.479	20	30		FEEDHM
N#Cc1c2c(sc1NC(=O)CCN1CCN3C(=O)[N-]C(=O)[C@@H]3C1)CCC2	ZINC000330131548	554070662	/nfs/dbraw/zinc/07/06/62/554070662.db2.gz	PTWMKTRVPIJJDA-LBPRGKRZSA-N	-1	3	373.438	2.163	20	30		FEEDHM
N#Cc1c(Br)cccc1S(=O)(=O)[N-]CCN1CCCCC1	ZINC000330474616	554125986	/nfs/dbraw/zinc/12/59/86/554125986.db2.gz	IJVLQBKQMLIBAG-UHFFFAOYSA-N	-1	3	372.288	2.085	20	30		FEEDHM
CCN1CCC[C@@H]([N-]S(=O)(=O)c2cccc(Br)c2C#N)C1	ZINC000330663395	554153567	/nfs/dbraw/zinc/15/35/67/554153567.db2.gz	DZMYLBAIBJMADZ-LLVKDONJSA-N	-1	3	372.288	2.083	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@](O)(C(F)(F)F)C1	ZINC000331025791	554202949	/nfs/dbraw/zinc/20/29/49/554202949.db2.gz	AYCFEMLNEOISRK-INIZCTEOSA-N	-1	3	371.359	2.124	20	30		FEEDHM
CC(C)c1ccc(C(=O)NCCS(=O)(=O)N2CCSCC2)c([O-])c1	ZINC000331229143	554234298	/nfs/dbraw/zinc/23/42/98/554234298.db2.gz	FXCURFKVDFTIHT-UHFFFAOYSA-N	-1	3	372.512	2.199	20	30		FEEDHM
C[C@@H]1CCC[C@](C#N)([N-]S(=O)(=O)c2cc3oc(=O)[nH]c3cc2F)C1	ZINC000332645253	554490222	/nfs/dbraw/zinc/49/02/22/554490222.db2.gz	HANHJUYGDMRONE-PSLIRLAXSA-N	-1	3	353.375	2.011	20	30		FEEDHM
Cn1cc(C#N)c(=NC(=O)NC[C@@H]2CCCCN2Cc2ccccc2)[n-]1	ZINC000610564454	554529768	/nfs/dbraw/zinc/52/97/68/554529768.db2.gz	ONFRRWXRCJIQFJ-KRWDZBQOSA-N	-1	3	352.442	2.468	20	30		FEEDHM
C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N=c1[n-]n(C)cc1C#N	ZINC000610563519	554529950	/nfs/dbraw/zinc/52/99/50/554529950.db2.gz	HAPKEEQJPZGUBR-YOEHRIQHSA-N	-1	3	352.442	2.324	20	30		FEEDHM
CN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)N=c1[n-]n(C)cc1C#N	ZINC000610565347	554530943	/nfs/dbraw/zinc/53/09/43/554530943.db2.gz	SHFYACDKOWUVIN-MRXNPFEDSA-N	-1	3	352.442	2.278	20	30		FEEDHM
COC(=O)c1cc(C(=O)[N-]c2ccn(-c3ccc(C#N)cc3Cl)n2)on1	ZINC000611902267	554699510	/nfs/dbraw/zinc/69/95/10/554699510.db2.gz	CSTMCCDWTVYUQJ-UHFFFAOYSA-N	-1	3	371.740	2.424	20	30		FEEDHM
N#Cc1cccc(/C=C/C(=O)N2CC(S(=O)(=O)[N-]c3ccccc3)C2)c1	ZINC000364095171	555249077	/nfs/dbraw/zinc/24/90/77/555249077.db2.gz	AZSIYGKTBJONQL-MDZDMXLPSA-N	-1	3	367.430	2.224	20	30		FEEDHM
C[C@]1(C[N-]S(=O)(=O)c2ccc(C#N)s2)OCCc2sccc21	ZINC000368061124	556207973	/nfs/dbraw/zinc/20/79/73/556207973.db2.gz	HQAGHBNVOBZIST-CQSZACIVSA-N	-1	3	354.478	2.448	20	30		FEEDHM
N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CC2(O)Cc3ccccc3C2)c1	ZINC000370430123	556870740	/nfs/dbraw/zinc/87/07/40/556870740.db2.gz	HSDVKEDLSDLONV-UHFFFAOYSA-N	-1	3	362.838	2.020	20	30		FEEDHM
Cc1ncc2c(n1)CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)C2	ZINC000371017520	557046491	/nfs/dbraw/zinc/04/64/91/557046491.db2.gz	JZTFRAAFOMAVFO-CQSZACIVSA-N	-1	3	362.842	2.146	20	30		FEEDHM
COc1cc(Br)cc(CN2CCN(C3CC3)[C@@H](C#N)C2)c1[O-]	ZINC000371328531	557147987	/nfs/dbraw/zinc/14/79/87/557147987.db2.gz	WLOMUPICTKCVKJ-AWEZNQCLSA-N	-1	3	366.259	2.335	20	30		FEEDHM
C=CCOc1ccccc1C[N-]S(=O)(=O)c1ccc(C(=O)OC)o1	ZINC000517707132	562095798	/nfs/dbraw/zinc/09/57/98/562095798.db2.gz	JNHMTFHFFFPTJX-UHFFFAOYSA-N	-1	3	351.380	2.110	20	30		FEEDHM
CS(=O)(=O)[N-]c1c[nH]nc1[C@@H]1CCCN(c2ccc(F)cc2C#N)C1	ZINC000373552289	557716905	/nfs/dbraw/zinc/71/69/05/557716905.db2.gz	PUKZZTMPUQSZQD-LLVKDONJSA-N	-1	3	363.418	2.176	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]C2CCN(Cc3ccsc3)CC2)o1	ZINC000376265059	558149668	/nfs/dbraw/zinc/14/96/68/558149668.db2.gz	JSSHVQYQBHRDIG-UHFFFAOYSA-N	-1	3	351.453	2.156	20	30		FEEDHM
Cc1nccn1-c1ccc([C@H](C)[N-]S(=O)(=O)c2cccnc2C#N)cc1	ZINC000377186322	558284230	/nfs/dbraw/zinc/28/42/30/558284230.db2.gz	WYFDNKHSQUNBCB-ZDUSSCGKSA-N	-1	3	367.434	2.487	20	30		FEEDHM
CC(C)[C@@H](CN(C)Cc1ccccc1)[N-]S(=O)(=O)c1cccnc1C#N	ZINC000398113047	558626241	/nfs/dbraw/zinc/62/62/41/558626241.db2.gz	ZDLJSZFOWSQJOL-GOSISDBHSA-N	-1	3	372.494	2.388	20	30		FEEDHM
CC(C)(C)n1ncnc1C[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1	ZINC000409882649	558724454	/nfs/dbraw/zinc/72/44/54/558724454.db2.gz	CDEVIBAAUYODMJ-UHFFFAOYSA-N	-1	3	353.835	2.037	20	30		FEEDHM
CNC(=O)CCOc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)cc1	ZINC000524851894	562236061	/nfs/dbraw/zinc/23/60/61/562236061.db2.gz	LTWBWTRTCHJZMO-UHFFFAOYSA-N	-1	3	373.434	2.182	20	30		FEEDHM
C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2cc(Br)ccc2C#N)[C@H](C)O1	ZINC000416608897	559324922	/nfs/dbraw/zinc/32/49/22/559324922.db2.gz	SXNSRUZIKQPJEB-SCVCMEIPSA-N	-1	3	373.272	2.413	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)c1csnn1	ZINC000416630695	559326336	/nfs/dbraw/zinc/32/63/36/559326336.db2.gz	IOPPQHHCHKAAKZ-SSDOTTSWSA-N	-1	3	362.358	2.468	20	30		FEEDHM
CC(C)(C[N-]S(=O)(=O)c1cccc(Cl)c1C#N)C1(O)CCOCC1	ZINC000416668910	559328751	/nfs/dbraw/zinc/32/87/51/559328751.db2.gz	ZAZNZYNTGWCPHH-UHFFFAOYSA-N	-1	3	372.874	2.058	20	30		FEEDHM
C=CCN(C)S(=O)(=O)c1ccc(NCc2cc(=O)[n-]c(C3CC3)n2)cc1	ZINC000416998570	559342941	/nfs/dbraw/zinc/34/29/41/559342941.db2.gz	BCHNOEUSVYFSFK-UHFFFAOYSA-N	-1	3	374.466	2.478	20	30		FEEDHM
CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCCCCCC(=O)[O-])cc1	ZINC000417781097	559376175	/nfs/dbraw/zinc/37/61/75/559376175.db2.gz	XQFRFMFAVASFJY-LBPRGKRZSA-N	-1	3	367.427	2.139	20	30		FEEDHM
C=CC[C@H](CC)NC(=O)C(=O)[N-]c1sc2c(c1C(=O)OC)CCOC2	ZINC000419718561	559455939	/nfs/dbraw/zinc/45/59/39/559455939.db2.gz	WEXWCYKNXLUESK-JTQLQIEISA-N	-1	3	366.439	2.017	20	30		FEEDHM
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CNC(=O)c1cccc([O-])c1	ZINC000427241880	559751254	/nfs/dbraw/zinc/75/12/54/559751254.db2.gz	FYTDCSRGISWIOG-RBUKOAKNSA-N	-1	3	363.417	2.420	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-]CC#Cc1ccc(C(F)(F)F)cc1	ZINC000428395877	559774672	/nfs/dbraw/zinc/77/46/72/559774672.db2.gz	CSZHDMZSIXDVAC-UHFFFAOYSA-N	-1	3	365.336	2.302	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]c2ccncc2F)cc1Br	ZINC000432958153	559868815	/nfs/dbraw/zinc/86/88/15/559868815.db2.gz	GHLRUHNZKVESBH-UHFFFAOYSA-N	-1	3	356.176	2.078	20	30		FEEDHM
C/C=C/C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)C(=O)OCC	ZINC000433880470	559889599	/nfs/dbraw/zinc/88/95/99/559889599.db2.gz	AITDXJNWJPZKDC-LQPUYASZSA-N	-1	3	356.831	2.388	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]Cc2cc(F)cc3c2OCOC3)s1	ZINC000435436996	559923038	/nfs/dbraw/zinc/92/30/38/559923038.db2.gz	HZTWNUBSPZYOHU-UHFFFAOYSA-N	-1	3	354.384	2.104	20	30		FEEDHM
CN(C)C(=O)C[C@H]([N-]S(=O)(=O)c1ccc(C#N)s1)c1ccccc1	ZINC000435447270	559923403	/nfs/dbraw/zinc/92/34/03/559923403.db2.gz	OKENXYNHHSIZQX-AWEZNQCLSA-N	-1	3	363.464	2.118	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]C[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)s1	ZINC000435446585	559923416	/nfs/dbraw/zinc/92/34/16/559923416.db2.gz	KQPVYXFEMZSVSF-GDBMZVCRSA-N	-1	3	366.439	2.203	20	30		FEEDHM
Cc1[n-][nH]c(=NC(=O)c2ccc(C#N)nc2)c1-c1ccc2c(c1)OCCO2	ZINC000435708976	559928705	/nfs/dbraw/zinc/92/87/05/559928705.db2.gz	BQSARLQPQWRELV-UHFFFAOYSA-N	-1	3	361.361	2.675	20	30		FEEDHM
N#Cc1cc([N+](=O)[O-])cnc1NC1CCN(C(=O)c2ccccc2[O-])CC1	ZINC000436598270	559946132	/nfs/dbraw/zinc/94/61/32/559946132.db2.gz	ZKAFGSCBFZGNFH-UHFFFAOYSA-N	-1	3	367.365	2.284	20	30		FEEDHM
N#Cc1cc(C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)ccc1F	ZINC000436714463	559949712	/nfs/dbraw/zinc/94/97/12/559949712.db2.gz	FXIWTSKKWYYZGO-UHFFFAOYSA-N	-1	3	367.380	2.438	20	30		FEEDHM
N#Cc1csc(CNCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)c1	ZINC000441365462	560029937	/nfs/dbraw/zinc/02/99/37/560029937.db2.gz	AZXIMRIMVMGQAX-UHFFFAOYSA-N	-1	3	373.862	2.480	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)C(=O)N1CCCC[C@H]1C	ZINC000443079839	560069817	/nfs/dbraw/zinc/06/98/17/560069817.db2.gz	RRXJEZHAYBDLCR-VXGBXAGGSA-N	-1	3	369.874	2.279	20	30		FEEDHM
N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CCCN1CCCCCC1=O	ZINC000443090619	560070351	/nfs/dbraw/zinc/07/03/51/560070351.db2.gz	GSWALOOYRMIWKO-UHFFFAOYSA-N	-1	3	369.874	2.283	20	30		FEEDHM
CC[C@@H](O)CCC[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000443233990	560075540	/nfs/dbraw/zinc/07/55/40/560075540.db2.gz	CHTFAROFAKOQNB-LLVKDONJSA-N	-1	3	350.362	2.406	20	30		FEEDHM
CCOC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)[C@H](C)CC	ZINC000443304088	560078627	/nfs/dbraw/zinc/07/86/27/560078627.db2.gz	ADNGXMWZWLCXIA-YGRLFVJLSA-N	-1	3	358.847	2.468	20	30		FEEDHM
C=C(C)CC[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1Br	ZINC000451802857	560329599	/nfs/dbraw/zinc/32/95/99/560329599.db2.gz	NSJYYOUWNZYXOF-UHFFFAOYSA-N	-1	3	362.245	2.480	20	30		FEEDHM
C=CCC[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)C(=O)OCC	ZINC000452003576	560344588	/nfs/dbraw/zinc/34/45/88/560344588.db2.gz	ZVPRDKDNFIOXMQ-GFCCVEGCSA-N	-1	3	351.346	2.280	20	30		FEEDHM
C=CCC[C@@H](CO)[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F	ZINC000452025986	560346240	/nfs/dbraw/zinc/34/62/40/560346240.db2.gz	AGXFAIHKWIXCCT-VIFPVBQESA-N	-1	3	357.325	2.330	20	30		FEEDHM
C=CCC(C)(C)CNC(=O)NCc1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1	ZINC000458192566	560607904	/nfs/dbraw/zinc/60/79/04/560607904.db2.gz	DXAJXWFMRMKYQO-LJQANCHMSA-N	-1	3	358.442	2.143	20	30		FEEDHM
C[C@@H](C(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1)c1cccc(C#N)c1	ZINC000462032445	560793380	/nfs/dbraw/zinc/79/33/80/560793380.db2.gz	QMVATBLCQMGVRD-OAHLLOKOSA-N	-1	3	363.417	2.352	20	30		FEEDHM
COC[C@@](C)(NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C(F)(F)F	ZINC000464504703	560843612	/nfs/dbraw/zinc/84/36/12/560843612.db2.gz	LJZGLTFBCICPFH-OAHLLOKOSA-N	-1	3	359.348	2.292	20	30		FEEDHM
C[C@@H](C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)N1CCCC[C@H]1C	ZINC000467156774	560905067	/nfs/dbraw/zinc/90/50/67/560905067.db2.gz	CFXFSSRZIOTLPE-NEPJUHHUSA-N	-1	3	357.426	2.378	20	30		FEEDHM
CC(C)(C)c1nnc(C[N-]S(=O)(=O)Cc2cccc(C#N)c2)s1	ZINC000467761021	560916759	/nfs/dbraw/zinc/91/67/59/560916759.db2.gz	XZUWHRZUALYYLV-UHFFFAOYSA-N	-1	3	350.469	2.327	20	30		FEEDHM
CC(C)CC(=O)NCCc1ccc(S(=O)(=O)[N-][C@H](C#N)C(C)C)s1	ZINC000468764432	560938235	/nfs/dbraw/zinc/93/82/35/560938235.db2.gz	ANCLMIVSDDXCKD-CQSZACIVSA-N	-1	3	371.528	2.279	20	30		FEEDHM
CC(C)[C@H](C#N)NC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1	ZINC000472518530	561028472	/nfs/dbraw/zinc/02/84/72/561028472.db2.gz	OIZRMRNGCPCBQZ-LBPRGKRZSA-N	-1	3	363.361	2.355	20	30		FEEDHM
Cc1cccc(OC[C@@H](O)C[N-]S(=O)(=O)CC2(C#N)CCCCC2)c1	ZINC000475816222	561106093	/nfs/dbraw/zinc/10/60/93/561106093.db2.gz	PACSCURZSONQFK-INIZCTEOSA-N	-1	3	366.483	2.128	20	30		FEEDHM
C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[N-]S(=O)(=O)c1cccc(Br)c1C#N	ZINC000528545434	562335349	/nfs/dbraw/zinc/33/53/49/562335349.db2.gz	XRAKEJRCHFCYRD-RZGXBDKHSA-N	-1	3	373.272	2.411	20	30		FEEDHM
N#CCN1CCC(CNC(=O)c2cc([O-])cc(Br)c2)CC1	ZINC000528652299	562340491	/nfs/dbraw/zinc/34/04/91/562340491.db2.gz	CPINGLPVEVXSRO-UHFFFAOYSA-N	-1	3	352.232	2.120	20	30		FEEDHM
CC[S@](=O)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2F)C1	ZINC000531408662	562444946	/nfs/dbraw/zinc/44/49/46/562444946.db2.gz	LIHQOXKIDNRRGX-VJBOLBCHSA-N	-1	3	358.460	2.055	20	30		FEEDHM
CC(C)Oc1ccc(NC(=O)CNC(=O)c2ccc([O-])cc2)cc1C#N	ZINC000532947268	562493347	/nfs/dbraw/zinc/49/33/47/562493347.db2.gz	QIJWXTMLHOXVFU-UHFFFAOYSA-N	-1	3	353.378	2.420	20	30		FEEDHM
C=CCSCCNC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1	ZINC000541902658	562622826	/nfs/dbraw/zinc/62/28/26/562622826.db2.gz	VZIDDCIUJOHNLR-UHFFFAOYSA-N	-1	3	373.500	2.498	20	30		FEEDHM
COc1ccc2c(c1)OC[C@H]([N-]S(=O)(=O)CC1(C#N)CCCC1)C2	ZINC000546071568	562633408	/nfs/dbraw/zinc/63/34/08/562633408.db2.gz	YMJIQANXDQUBFA-CQSZACIVSA-N	-1	3	350.440	2.002	20	30		FEEDHM
CC[C@H](CC#N)[N-]S(=O)(=O)c1ccc(I)s1	ZINC000907118951	691399840	/nfs/dbraw/zinc/39/98/40/691399840.db2.gz	DISMHGREZYHFLG-SSDOTTSWSA-N	-1	3	370.237	2.323	20	30		FEEDHM
N#Cc1cc(Br)cc(S(=O)(=O)[N-]c2ccc(=O)[nH]c2)c1	ZINC000569866347	568431883	/nfs/dbraw/zinc/43/18/83/568431883.db2.gz	LPBUSYZKEOIHLR-UHFFFAOYSA-N	-1	3	354.185	2.222	20	30		FEEDHM
C=CCOCC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1	ZINC000735438252	598833754	/nfs/dbraw/zinc/83/37/54/598833754.db2.gz	ZDNBNRZTGSEGSE-UHFFFAOYSA-N	-1	3	355.423	2.414	20	30		FEEDHM
C#CCNC(=O)[C@@H](C)Sc1nc(-c2ccccc2)ccc1-c1nnn[n-]1	ZINC000735382211	598900303	/nfs/dbraw/zinc/90/03/03/598900303.db2.gz	VZERPHSBMINSDH-GFCCVEGCSA-N	-1	3	364.434	2.159	20	30		FEEDHM
C#CCNC(=O)[C@@H](C)Sc1nc(-c2ccccc2)ccc1-c1nn[n-]n1	ZINC000735382211	598900304	/nfs/dbraw/zinc/90/03/04/598900304.db2.gz	VZERPHSBMINSDH-GFCCVEGCSA-N	-1	3	364.434	2.159	20	30		FEEDHM
C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1	ZINC000736170720	598916028	/nfs/dbraw/zinc/91/60/28/598916028.db2.gz	WFVONKDLSVGEJU-NSHDSACASA-N	-1	3	359.349	2.016	20	30		FEEDHM
C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1	ZINC000736170720	598916029	/nfs/dbraw/zinc/91/60/29/598916029.db2.gz	WFVONKDLSVGEJU-NSHDSACASA-N	-1	3	359.349	2.016	20	30		FEEDHM
CC[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)c1c(C)noc1C	ZINC000736311960	598918231	/nfs/dbraw/zinc/91/82/31/598918231.db2.gz	CZHZQBUKPKMPHO-CYBMUJFWSA-N	-1	3	351.370	2.476	20	30		FEEDHM
CC[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1c(C)noc1C	ZINC000736311960	598918233	/nfs/dbraw/zinc/91/82/33/598918233.db2.gz	CZHZQBUKPKMPHO-CYBMUJFWSA-N	-1	3	351.370	2.476	20	30		FEEDHM
C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1	ZINC000736191530	598919743	/nfs/dbraw/zinc/91/97/43/598919743.db2.gz	ZVUDGYNYQSPQRY-LLVKDONJSA-N	-1	3	359.349	2.016	20	30		FEEDHM
C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1	ZINC000736191530	598919745	/nfs/dbraw/zinc/91/97/45/598919745.db2.gz	ZVUDGYNYQSPQRY-LLVKDONJSA-N	-1	3	359.349	2.016	20	30		FEEDHM
C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(C#N)c(C#N)c1	ZINC000736167015	598916481	/nfs/dbraw/zinc/91/64/81/598916481.db2.gz	CGVLVOVQTITKJT-LLVKDONJSA-N	-1	3	359.349	2.016	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2ccn(-c3ccccc3)n2)cc1-c1nnn[n-]1	ZINC000737718366	598921064	/nfs/dbraw/zinc/92/10/64/598921064.db2.gz	IILNFCFJJRROAE-UHFFFAOYSA-N	-1	3	356.349	2.176	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2ccn(-c3ccccc3)n2)cc1-c1nn[n-]n1	ZINC000737718366	598921065	/nfs/dbraw/zinc/92/10/65/598921065.db2.gz	IILNFCFJJRROAE-UHFFFAOYSA-N	-1	3	356.349	2.176	20	30		FEEDHM
N#Cc1cc(NC(=O)c2ccc(NC(=O)C3CC3)cc2)ccc1-c1nnn[n-]1	ZINC000737708576	598921305	/nfs/dbraw/zinc/92/13/05/598921305.db2.gz	HHEACKUIHJNBEJ-UHFFFAOYSA-N	-1	3	373.376	2.339	20	30		FEEDHM
N#Cc1cc(NC(=O)c2ccc(NC(=O)C3CC3)cc2)ccc1-c1nn[n-]n1	ZINC000737708576	598921307	/nfs/dbraw/zinc/92/13/07/598921307.db2.gz	HHEACKUIHJNBEJ-UHFFFAOYSA-N	-1	3	373.376	2.339	20	30		FEEDHM
COc1ccccc1OCCC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1	ZINC000737153278	598926729	/nfs/dbraw/zinc/92/67/29/598926729.db2.gz	YTZMVDQCNICRPP-UHFFFAOYSA-N	-1	3	364.365	2.155	20	30		FEEDHM
COc1ccccc1OCCC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1	ZINC000737153278	598926730	/nfs/dbraw/zinc/92/67/30/598926730.db2.gz	YTZMVDQCNICRPP-UHFFFAOYSA-N	-1	3	364.365	2.155	20	30		FEEDHM
N#C[C@H](NC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1)C1CC1	ZINC000737676499	598933683	/nfs/dbraw/zinc/93/36/83/598933683.db2.gz	WFUDHRSMWFNWLZ-KRWDZBQOSA-N	-1	3	374.404	2.478	20	30		FEEDHM
N#C[C@H](NC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1)C1CC1	ZINC000737676499	598933685	/nfs/dbraw/zinc/93/36/85/598933685.db2.gz	WFUDHRSMWFNWLZ-KRWDZBQOSA-N	-1	3	374.404	2.478	20	30		FEEDHM
COCCCOc1cccc(C=NNCc2ccc(-c3nnn[n-]3)cc2)c1	ZINC000821688661	607254003	/nfs/dbraw/zinc/25/40/03/607254003.db2.gz	UJRLXEMXAPPFNT-UHFFFAOYSA-N	-1	3	366.425	2.406	20	30		FEEDHM
COCCCOc1cccc(C=NNCc2ccc(-c3nn[n-]n3)cc2)c1	ZINC000821688661	607254004	/nfs/dbraw/zinc/25/40/04/607254004.db2.gz	UJRLXEMXAPPFNT-UHFFFAOYSA-N	-1	3	366.425	2.406	20	30		FEEDHM
C[C@@](C#N)(NC(=O)COc1ccccc1-c1nnn[n-]1)C1CCCCC1	ZINC000735505672	598969629	/nfs/dbraw/zinc/96/96/29/598969629.db2.gz	UTCAXZUPBWQTOG-SFHVURJKSA-N	-1	3	354.414	2.224	20	30		FEEDHM
C[C@@](C#N)(NC(=O)COc1ccccc1-c1nn[n-]n1)C1CCCCC1	ZINC000735505672	598969630	/nfs/dbraw/zinc/96/96/30/598969630.db2.gz	UTCAXZUPBWQTOG-SFHVURJKSA-N	-1	3	354.414	2.224	20	30		FEEDHM
CC(C)(C#N)NC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1	ZINC000735571989	599030716	/nfs/dbraw/zinc/03/07/16/599030716.db2.gz	NXRSXEYMPFNQNI-UHFFFAOYSA-N	-1	3	362.393	2.478	20	30		FEEDHM
CC(C)(C#N)NC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1	ZINC000735571989	599030718	/nfs/dbraw/zinc/03/07/18/599030718.db2.gz	NXRSXEYMPFNQNI-UHFFFAOYSA-N	-1	3	362.393	2.478	20	30		FEEDHM
N#Cc1ccc(-c2nnc(CSc3cc(-c4nnn[n-]4)ccn3)o2)cc1	ZINC000737707926	599164559	/nfs/dbraw/zinc/16/45/59/599164559.db2.gz	ANGYCLHKYJZLDF-UHFFFAOYSA-N	-1	3	362.378	2.476	20	30		FEEDHM
N#Cc1ccc(-c2nnc(CSc3cc(-c4nn[n-]n4)ccn3)o2)cc1	ZINC000737707926	599164563	/nfs/dbraw/zinc/16/45/63/599164563.db2.gz	ANGYCLHKYJZLDF-UHFFFAOYSA-N	-1	3	362.378	2.476	20	30		FEEDHM
C[C@@H](C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)N(C)Cc1ccccc1	ZINC000735561429	599192869	/nfs/dbraw/zinc/19/28/69/599192869.db2.gz	YLAUVLWWIBOOBL-ZDUSSCGKSA-N	-1	3	361.409	2.197	20	30		FEEDHM
C[C@@H](Oc1cccc(F)c1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1	ZINC000736183556	599193418	/nfs/dbraw/zinc/19/34/18/599193418.db2.gz	UFCSRVNGIUSFAW-SNVBAGLBSA-N	-1	3	352.329	2.283	20	30		FEEDHM
C[C@@H](Oc1cccc(F)c1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1	ZINC000736183556	599193422	/nfs/dbraw/zinc/19/34/22/599193422.db2.gz	UFCSRVNGIUSFAW-SNVBAGLBSA-N	-1	3	352.329	2.283	20	30		FEEDHM
CCn1nc(C)c(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c1Cl	ZINC000736727828	599196820	/nfs/dbraw/zinc/19/68/20/599196820.db2.gz	HPBUQJUADJYSMC-UHFFFAOYSA-N	-1	3	356.777	2.169	20	30		FEEDHM
CCn1nc(C)c(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c1Cl	ZINC000736727828	599196822	/nfs/dbraw/zinc/19/68/22/599196822.db2.gz	HPBUQJUADJYSMC-UHFFFAOYSA-N	-1	3	356.777	2.169	20	30		FEEDHM
CN(C)CCN(CC(=O)[O-])C(=O)c1cccc(Oc2ccc(C#N)cc2)c1	ZINC000739606402	596951367	/nfs/dbraw/zinc/95/13/67/596951367.db2.gz	QRVDBEWQFWWUOP-UHFFFAOYSA-N	-1	3	367.405	2.439	20	30		FEEDHM
N#Cc1cc(NC(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)ccc1F	ZINC000822823669	599281787	/nfs/dbraw/zinc/28/17/87/599281787.db2.gz	XFODRDHBGJGOMB-UHFFFAOYSA-N	-1	3	367.344	2.078	20	30		FEEDHM
C#CCOc1cccc(NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)c1	ZINC000819709506	599280520	/nfs/dbraw/zinc/28/05/20/599280520.db2.gz	HLPRXWKSHOMNBI-UHFFFAOYSA-N	-1	3	366.356	2.340	20	30		FEEDHM
C#CCOc1cccc(NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)c1	ZINC000819709506	599280522	/nfs/dbraw/zinc/28/05/22/599280522.db2.gz	HLPRXWKSHOMNBI-UHFFFAOYSA-N	-1	3	366.356	2.340	20	30		FEEDHM
C=CCCCCCN(C)C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F	ZINC000819739632	607339999	/nfs/dbraw/zinc/33/99/99/607339999.db2.gz	BEZMMSMFJAXRSU-UHFFFAOYSA-N	-1	3	360.393	2.149	20	30		FEEDHM
C=CCCCCCN(C)C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F	ZINC000819739632	607340001	/nfs/dbraw/zinc/34/00/01/607340001.db2.gz	BEZMMSMFJAXRSU-UHFFFAOYSA-N	-1	3	360.393	2.149	20	30		FEEDHM
N#CC1CCN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)CC1	ZINC000737679755	598266291	/nfs/dbraw/zinc/26/62/91/598266291.db2.gz	SNUIWLBFKCQIBE-UHFFFAOYSA-N	-1	3	363.328	2.236	20	30		FEEDHM
N#CC1CCN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)CC1	ZINC000737679755	598266293	/nfs/dbraw/zinc/26/62/93/598266293.db2.gz	SNUIWLBFKCQIBE-UHFFFAOYSA-N	-1	3	363.328	2.236	20	30		FEEDHM
N#C[C@@H](NC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1)C1CC1	ZINC000737675782	598537026	/nfs/dbraw/zinc/53/70/26/598537026.db2.gz	SCSUAZOKTMJOER-CQSZACIVSA-N	-1	3	364.365	2.071	20	30		FEEDHM
N#C[C@@H](NC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1)C1CC1	ZINC000737675782	598537029	/nfs/dbraw/zinc/53/70/29/598537029.db2.gz	SCSUAZOKTMJOER-CQSZACIVSA-N	-1	3	364.365	2.071	20	30		FEEDHM
C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(F)c(C#N)c1	ZINC000736168195	598588821	/nfs/dbraw/zinc/58/88/21/598588821.db2.gz	IWASZXKWHVGAEA-JTQLQIEISA-N	-1	3	352.329	2.283	20	30		FEEDHM
C=CC1CCN(C(=O)CCCOc2ccc(-c3nnn[n-]3)cc2OC)CC1	ZINC000735402880	598665952	/nfs/dbraw/zinc/66/59/52/598665952.db2.gz	LZYITINKMSOXJM-UHFFFAOYSA-N	-1	3	371.441	2.459	20	30		FEEDHM
C=CC1CCN(C(=O)CCCOc2ccc(-c3nn[n-]n3)cc2OC)CC1	ZINC000735402880	598665954	/nfs/dbraw/zinc/66/59/54/598665954.db2.gz	LZYITINKMSOXJM-UHFFFAOYSA-N	-1	3	371.441	2.459	20	30		FEEDHM
CC(C)C[C@@H](C#N)NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1	ZINC000735757111	598686144	/nfs/dbraw/zinc/68/61/44/598686144.db2.gz	TVSQTJNOAPYLBP-HNNXBMFYSA-N	-1	3	356.430	2.470	20	30		FEEDHM
CC(C)C[C@@H](C#N)NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1	ZINC000735757111	598686145	/nfs/dbraw/zinc/68/61/45/598686145.db2.gz	TVSQTJNOAPYLBP-HNNXBMFYSA-N	-1	3	356.430	2.470	20	30		FEEDHM
CCC[C@@H](C#N)NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1	ZINC000736417477	598686886	/nfs/dbraw/zinc/68/68/86/598686886.db2.gz	SYYQLYJYTKQPGI-AWEZNQCLSA-N	-1	3	363.381	2.476	20	30		FEEDHM
CCC[C@@H](C#N)NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1	ZINC000736417477	598686887	/nfs/dbraw/zinc/68/68/87/598686887.db2.gz	SYYQLYJYTKQPGI-AWEZNQCLSA-N	-1	3	363.381	2.476	20	30		FEEDHM
C=CCN(CC1CCCCC1)C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1	ZINC000735416080	598761199	/nfs/dbraw/zinc/76/11/99/598761199.db2.gz	CKVHRJBXOKRIHG-UHFFFAOYSA-N	-1	3	368.441	2.400	20	30		FEEDHM
C=CCN(CC1CCCCC1)C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1	ZINC000735416080	598761200	/nfs/dbraw/zinc/76/12/00/598761200.db2.gz	CKVHRJBXOKRIHG-UHFFFAOYSA-N	-1	3	368.441	2.400	20	30		FEEDHM
N#CCCCCNC(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1	ZINC000737686510	598801270	/nfs/dbraw/zinc/80/12/70/598801270.db2.gz	CDRBEZUUYSTDRE-UHFFFAOYSA-N	-1	3	369.429	2.113	20	30		FEEDHM
N#CCCCCNC(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1	ZINC000737686510	598801272	/nfs/dbraw/zinc/80/12/72/598801272.db2.gz	CDRBEZUUYSTDRE-UHFFFAOYSA-N	-1	3	369.429	2.113	20	30		FEEDHM
CN(c1cccc(C#N)c1)S(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1	ZINC000821619045	599340144	/nfs/dbraw/zinc/34/01/44/599340144.db2.gz	GXVKVOFXLYPVFD-UHFFFAOYSA-N	-1	3	374.813	2.217	20	30		FEEDHM
S=C(NCC1CCC1)NN=C1CCCc2cc(-c3nnn[n-]3)ccc21	ZINC000823733357	599341029	/nfs/dbraw/zinc/34/10/29/599341029.db2.gz	VFNLLWAUQKXFCQ-UHFFFAOYSA-N	-1	3	355.471	2.171	20	30		FEEDHM
S=C(NCC1CCC1)NN=C1CCCc2cc(-c3nn[n-]n3)ccc21	ZINC000823733357	599341031	/nfs/dbraw/zinc/34/10/31/599341031.db2.gz	VFNLLWAUQKXFCQ-UHFFFAOYSA-N	-1	3	355.471	2.171	20	30		FEEDHM
N#Cc1cccc(CNC(=O)CSc2ccccc2-c2nnn[n-]2)c1	ZINC000822837146	599350376	/nfs/dbraw/zinc/35/03/76/599350376.db2.gz	GRFXBNXLRIOBAT-UHFFFAOYSA-N	-1	3	350.407	2.147	20	30		FEEDHM
N#Cc1cccc(CNC(=O)CSc2ccccc2-c2nn[n-]n2)c1	ZINC000822837146	599350378	/nfs/dbraw/zinc/35/03/78/599350378.db2.gz	GRFXBNXLRIOBAT-UHFFFAOYSA-N	-1	3	350.407	2.147	20	30		FEEDHM
N#Cc1ccc(CNC(=O)CSc2ccccc2-c2nnn[n-]2)cc1	ZINC000822825369	599350938	/nfs/dbraw/zinc/35/09/38/599350938.db2.gz	CETQDZVMJFEKRO-UHFFFAOYSA-N	-1	3	350.407	2.147	20	30		FEEDHM
N#Cc1ccc(CNC(=O)CSc2ccccc2-c2nn[n-]n2)cc1	ZINC000822825369	599350941	/nfs/dbraw/zinc/35/09/41/599350941.db2.gz	CETQDZVMJFEKRO-UHFFFAOYSA-N	-1	3	350.407	2.147	20	30		FEEDHM
Cc1cc(C#N)cc(C)c1OS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1	ZINC000822160455	599360547	/nfs/dbraw/zinc/36/05/47/599360547.db2.gz	HRWAJCUFOIFFKD-UHFFFAOYSA-N	-1	3	373.369	2.262	20	30		FEEDHM
C=CCOc1ccc(OS(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1	ZINC000819758943	599370433	/nfs/dbraw/zinc/37/04/33/599370433.db2.gz	JVPPHKGAMRYXGF-UHFFFAOYSA-N	-1	3	372.406	2.340	20	30		FEEDHM
C=CCOc1ccc(OS(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1	ZINC000819758943	599370435	/nfs/dbraw/zinc/37/04/35/599370435.db2.gz	JVPPHKGAMRYXGF-UHFFFAOYSA-N	-1	3	372.406	2.340	20	30		FEEDHM
C=CCc1cc(CNCc2ccc(-c3nnn[n-]3)o2)cc(OC)c1OC	ZINC000819758720	599429982	/nfs/dbraw/zinc/42/99/82/599429982.db2.gz	GDMJMIQGFPJYBZ-UHFFFAOYSA-N	-1	3	355.398	2.495	20	30		FEEDHM
C=CCc1cc(CNCc2ccc(-c3nn[n-]n3)o2)cc(OC)c1OC	ZINC000819758720	599429984	/nfs/dbraw/zinc/42/99/84/599429984.db2.gz	GDMJMIQGFPJYBZ-UHFFFAOYSA-N	-1	3	355.398	2.495	20	30		FEEDHM
FC(F)(F)c1cccnc1N=NCc1cnc2ccc(-c3nnn[n-]3)cn12	ZINC000737639635	599458126	/nfs/dbraw/zinc/45/81/26/599458126.db2.gz	URMDKTHYHRZEMZ-UHFFFAOYSA-N	-1	3	373.302	2.374	20	30		FEEDHM
FC(F)(F)c1cccnc1N=NCc1cnc2ccc(-c3nn[n-]n3)cn12	ZINC000737639635	599458129	/nfs/dbraw/zinc/45/81/29/599458129.db2.gz	URMDKTHYHRZEMZ-UHFFFAOYSA-N	-1	3	373.302	2.374	20	30		FEEDHM
CN(Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1cccc(-c2nnn[n-]2)c1	ZINC000821613214	599559382	/nfs/dbraw/zinc/55/93/82/599559382.db2.gz	CIPVNBMYCOIUGV-UHFFFAOYSA-N	-1	3	372.392	2.420	20	30		FEEDHM
CN(Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1cccc(-c2nn[n-]n2)c1	ZINC000821613214	599559385	/nfs/dbraw/zinc/55/93/85/599559385.db2.gz	CIPVNBMYCOIUGV-UHFFFAOYSA-N	-1	3	372.392	2.420	20	30		FEEDHM
N#Cc1cc(F)c(C(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)c(F)c1	ZINC000826384082	607447457	/nfs/dbraw/zinc/44/74/57/607447457.db2.gz	GFLVLWGKLLLKNH-UHFFFAOYSA-N	-1	3	366.331	2.436	20	30		FEEDHM
N#Cc1cc(F)c(C(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)c(F)c1	ZINC000826384082	607447458	/nfs/dbraw/zinc/44/74/58/607447458.db2.gz	GFLVLWGKLLLKNH-UHFFFAOYSA-N	-1	3	366.331	2.436	20	30		FEEDHM
Cc1oc(NC(=O)CN(CCC#N)CC(C)(C)C)c(-c2nnn[n-]2)c1C	ZINC000822548036	607453574	/nfs/dbraw/zinc/45/35/74/607453574.db2.gz	DPKWOBAPOJIQTB-UHFFFAOYSA-N	-1	3	359.434	2.277	20	30		FEEDHM
CCc1nnc(NCc2ccc(OC)c(C#N)c2)c(-c2nnn[n-]2)c1CC	ZINC000825771609	607557681	/nfs/dbraw/zinc/55/76/81/607557681.db2.gz	NCJJGFAAMDXZMP-UHFFFAOYSA-N	-1	3	364.413	2.274	20	30		FEEDHM
CCc1nnc(NCc2ccc(OC)c(C#N)c2)c(-c2nn[n-]n2)c1CC	ZINC000825771609	607557683	/nfs/dbraw/zinc/55/76/83/607557683.db2.gz	NCJJGFAAMDXZMP-UHFFFAOYSA-N	-1	3	364.413	2.274	20	30		FEEDHM
Cc1nnc(-c2cccc(C#N)c2)n1CN1CCC[C@H](CN(C)C(=O)[O-])C1	ZINC000740251559	603081261	/nfs/dbraw/zinc/08/12/61/603081261.db2.gz	DANGAWKKOLJOHB-MRXNPFEDSA-N	-1	3	368.441	2.405	20	30		FEEDHM
C#CCOc1ccc(C(=O)OCc2ccc(OC)c(-c3nnn[n-]3)c2)cc1	ZINC000823856810	607608745	/nfs/dbraw/zinc/60/87/45/607608745.db2.gz	ZDXNOIQUXAMYIU-UHFFFAOYSA-N	-1	3	364.361	2.244	20	30		FEEDHM
C#CCOc1ccc(C(=O)OCc2ccc(OC)c(-c3nn[n-]n3)c2)cc1	ZINC000823856810	607608747	/nfs/dbraw/zinc/60/87/47/607608747.db2.gz	ZDXNOIQUXAMYIU-UHFFFAOYSA-N	-1	3	364.361	2.244	20	30		FEEDHM
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2nnn[n-]2)cn1C	ZINC000820093003	606222657	/nfs/dbraw/zinc/22/26/57/606222657.db2.gz	RCOYNVHJPGLONP-UHFFFAOYSA-N	-1	3	363.425	2.375	20	30		FEEDHM
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2nn[n-]n2)cn1C	ZINC000820093003	606222659	/nfs/dbraw/zinc/22/26/59/606222659.db2.gz	RCOYNVHJPGLONP-UHFFFAOYSA-N	-1	3	363.425	2.375	20	30		FEEDHM
N#Cc1ccsc1N1CC[C@H](Nc2ccc(-c3nn[n-]n3)cc2)C1=O	ZINC000822842407	606243601	/nfs/dbraw/zinc/24/36/01/606243601.db2.gz	HFNRYTZZRQJZKP-ZDUSSCGKSA-N	-1	3	351.395	2.017	20	30		FEEDHM
N#CCOc1ccc(CNC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1	ZINC000822815731	606353270	/nfs/dbraw/zinc/35/32/70/606353270.db2.gz	ZGFAQFOJVGKLQM-UHFFFAOYSA-N	-1	3	367.344	2.230	20	30		FEEDHM
N#CCOc1ccc(CNC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc1	ZINC000822815731	606353272	/nfs/dbraw/zinc/35/32/72/606353272.db2.gz	ZGFAQFOJVGKLQM-UHFFFAOYSA-N	-1	3	367.344	2.230	20	30		FEEDHM
S=C(NCCc1cccs1)NN=Cc1ccc(-c2nnn[n-]2)s1	ZINC000823732689	606369593	/nfs/dbraw/zinc/36/95/93/606369593.db2.gz	OBNIAUAGQMWWDN-UHFFFAOYSA-N	-1	3	363.497	2.030	20	30		FEEDHM
N#Cc1ccc(OS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c(Cl)c1	ZINC000822833326	606378730	/nfs/dbraw/zinc/37/87/30/606378730.db2.gz	ODOSUGRJPGCKSL-UHFFFAOYSA-N	-1	3	361.770	2.159	20	30		FEEDHM
N#Cc1ccc(OS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c(Cl)c1	ZINC000822833326	606378732	/nfs/dbraw/zinc/37/87/32/606378732.db2.gz	ODOSUGRJPGCKSL-UHFFFAOYSA-N	-1	3	361.770	2.159	20	30		FEEDHM
C[C@@H](C#N)CNC(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1	ZINC000819845237	606476079	/nfs/dbraw/zinc/47/60/79/606476079.db2.gz	SCOSYHLIBNNUIO-JTQLQIEISA-N	-1	3	368.426	2.195	20	30		FEEDHM
C[C@@H](C#N)CNC(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1	ZINC000819845237	606476081	/nfs/dbraw/zinc/47/60/81/606476081.db2.gz	SCOSYHLIBNNUIO-JTQLQIEISA-N	-1	3	368.426	2.195	20	30		FEEDHM
C[C@@H]1CCN(c2cc(C(=O)Nc3ccc(C#N)c(-c4nnn[n-]4)c3)ccn2)C1	ZINC000820726928	606513910	/nfs/dbraw/zinc/51/39/10/606513910.db2.gz	DFUMSIDAGGRGHX-GFCCVEGCSA-N	-1	3	374.408	2.232	20	30		FEEDHM
C[C@@H]1CCN(c2cc(C(=O)Nc3ccc(C#N)c(-c4nn[n-]n4)c3)ccn2)C1	ZINC000820726928	606513912	/nfs/dbraw/zinc/51/39/12/606513912.db2.gz	DFUMSIDAGGRGHX-GFCCVEGCSA-N	-1	3	374.408	2.232	20	30		FEEDHM
CCNc1ccc(-c2nn[n-]n2)cc1NCC(=O)NC1(C#N)CCCCC1	ZINC000821308519	606599384	/nfs/dbraw/zinc/59/93/84/606599384.db2.gz	CLQHOVRREBYTMI-UHFFFAOYSA-N	-1	3	368.445	2.053	20	30		FEEDHM
C[C@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2)N(C)CCC#N	ZINC000819877104	606633401	/nfs/dbraw/zinc/63/34/01/606633401.db2.gz	OLWGREXATVFTMR-LLVKDONJSA-N	-1	3	373.486	2.370	20	30		FEEDHM
C[C@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2)N(C)CCC#N	ZINC000819877104	606633402	/nfs/dbraw/zinc/63/34/02/606633402.db2.gz	OLWGREXATVFTMR-LLVKDONJSA-N	-1	3	373.486	2.370	20	30		FEEDHM
C#Cc1cccc(N(CC)S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)c1	ZINC000819709533	606762962	/nfs/dbraw/zinc/76/29/62/606762962.db2.gz	IFZQEANCJRLZIU-UHFFFAOYSA-N	-1	3	371.397	2.202	20	30		FEEDHM
C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCc1ccc(F)c(C#N)c1	ZINC000820548884	606993070	/nfs/dbraw/zinc/99/30/70/606993070.db2.gz	HKTADKXXUQBMND-NSHDSACASA-N	-1	3	367.340	2.388	20	30		FEEDHM
C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OCc1ccc(F)c(C#N)c1	ZINC000820548884	606993072	/nfs/dbraw/zinc/99/30/72/606993072.db2.gz	HKTADKXXUQBMND-NSHDSACASA-N	-1	3	367.340	2.388	20	30		FEEDHM
N#Cc1ccc(SCCS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)cc1	ZINC000826385779	607817148	/nfs/dbraw/zinc/81/71/48/607817148.db2.gz	ADKJYIZJIMVRMH-UHFFFAOYSA-N	-1	3	371.447	2.304	20	30		FEEDHM
N#Cc1ccc(SCCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)cc1	ZINC000826385779	607817149	/nfs/dbraw/zinc/81/71/49/607817149.db2.gz	ADKJYIZJIMVRMH-UHFFFAOYSA-N	-1	3	371.447	2.304	20	30		FEEDHM
Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CN(C[C@@H](C)C#N)C1CC1	ZINC000826335059	607818148	/nfs/dbraw/zinc/81/81/48/607818148.db2.gz	WMMJBKHFWGXUBF-LBPRGKRZSA-N	-1	3	363.429	2.015	20	30		FEEDHM
Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CN(C[C@@H](C)C#N)C1CC1	ZINC000826335059	607818149	/nfs/dbraw/zinc/81/81/49/607818149.db2.gz	WMMJBKHFWGXUBF-LBPRGKRZSA-N	-1	3	363.429	2.015	20	30		FEEDHM
C=CCn1c(C)nn(CN(C)c2ccc(-c3nn[n-]n3)cc2F)c1=S	ZINC000823937404	607847909	/nfs/dbraw/zinc/84/79/09/607847909.db2.gz	WGWMDMSXARRAHG-UHFFFAOYSA-N	-1	3	360.422	2.322	20	30		FEEDHM
N#Cc1ccc(OC[C@@H](O)COc2ccc(-c3nnn[n-]3)cc2Cl)cc1	ZINC000826385781	607872765	/nfs/dbraw/zinc/87/27/65/607872765.db2.gz	AEFKKNTVKKQBCB-CYBMUJFWSA-N	-1	3	371.784	2.210	20	30		FEEDHM
N#Cc1ccc(OC[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2Cl)cc1	ZINC000826385781	607872766	/nfs/dbraw/zinc/87/27/66/607872766.db2.gz	AEFKKNTVKKQBCB-CYBMUJFWSA-N	-1	3	371.784	2.210	20	30		FEEDHM
Cc1cc(-c2nn[n-]n2)cc(C)c1OC[C@@H](O)COc1ccc(C#N)cc1	ZINC000826242901	607874144	/nfs/dbraw/zinc/87/41/44/607874144.db2.gz	LLPMNYBLBXQJQH-INIZCTEOSA-N	-1	3	365.393	2.174	20	30		FEEDHM
Cc1nc(-c2nn[n-]n2)c(N=NCc2nc(C(C)C)n3ccccc23)o1	ZINC000826323162	607887020	/nfs/dbraw/zinc/88/70/20/607887020.db2.gz	SPAUSYNNHVEWKE-UHFFFAOYSA-N	-1	3	351.374	2.380	20	30		FEEDHM
C[C@@]1(C#N)CCCN(CCC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1	ZINC000824776831	608125661	/nfs/dbraw/zinc/12/56/61/608125661.db2.gz	DLZFOOSMJKHHCL-KRWDZBQOSA-N	-1	3	373.848	2.474	20	30		FEEDHM
C[C@@]1(C#N)CCCN(CCC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1	ZINC000824776831	608125662	/nfs/dbraw/zinc/12/56/62/608125662.db2.gz	DLZFOOSMJKHHCL-KRWDZBQOSA-N	-1	3	373.848	2.474	20	30		FEEDHM
N#Cc1ccc(CN2CCN(c3ccccc3-c3nnn[n-]3)CC2)s1	ZINC000826385039	608515605	/nfs/dbraw/zinc/51/56/05/608515605.db2.gz	UTQJKLSZFDKHGO-UHFFFAOYSA-N	-1	3	351.439	2.122	20	30		FEEDHM
N#Cc1ccc(CN2CCN(c3ccccc3-c3nn[n-]n3)CC2)s1	ZINC000826385039	608515606	/nfs/dbraw/zinc/51/56/06/608515606.db2.gz	UTQJKLSZFDKHGO-UHFFFAOYSA-N	-1	3	351.439	2.122	20	30		FEEDHM
N#Cc1csc(CN2CCN(c3cccc(F)c3-c3nnn[n-]3)CC2)c1	ZINC000826387647	608596287	/nfs/dbraw/zinc/59/62/87/608596287.db2.gz	IFELDSQVBOEONU-UHFFFAOYSA-N	-1	3	369.429	2.261	20	30		FEEDHM
N#Cc1csc(CN2CCN(c3cccc(F)c3-c3nn[n-]n3)CC2)c1	ZINC000826387647	608596289	/nfs/dbraw/zinc/59/62/89/608596289.db2.gz	IFELDSQVBOEONU-UHFFFAOYSA-N	-1	3	369.429	2.261	20	30		FEEDHM
Cc1c(C(=O)C=Cc2cccc3nccn32)c(-c2nnn[n-]2)c2n1CCC2	ZINC000826234312	608753466	/nfs/dbraw/zinc/75/34/66/608753466.db2.gz	QFWBIQFUIGTAOR-BQYQJAHWSA-N	-1	3	359.393	2.467	20	30		FEEDHM
Cc1c(C(=O)C=Cc2cccc3nccn32)c(-c2nn[n-]n2)c2n1CCC2	ZINC000826234312	608753469	/nfs/dbraw/zinc/75/34/69/608753469.db2.gz	QFWBIQFUIGTAOR-BQYQJAHWSA-N	-1	3	359.393	2.467	20	30		FEEDHM
O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc2c(c1)NC(=O)CO2	ZINC000826481856	608878148	/nfs/dbraw/zinc/87/81/48/608878148.db2.gz	KHDOZYXJLXAHLK-GORDUTHDSA-N	-1	3	365.324	2.233	20	30		FEEDHM
O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc2c(c1)NC(=O)CO2	ZINC000826481856	608878151	/nfs/dbraw/zinc/87/81/51/608878151.db2.gz	KHDOZYXJLXAHLK-GORDUTHDSA-N	-1	3	365.324	2.233	20	30		FEEDHM
CN(C)c1ccccc1CSc1nc(N)c(C#N)cc1-c1nnn[n-]1	ZINC000825883348	609173873	/nfs/dbraw/zinc/17/38/73/609173873.db2.gz	FWSKUWBDVRDPMW-UHFFFAOYSA-N	-1	3	352.427	2.074	20	30		FEEDHM
CN(C)c1ccccc1CSc1nc(N)c(C#N)cc1-c1nn[n-]n1	ZINC000825883348	609173876	/nfs/dbraw/zinc/17/38/76/609173876.db2.gz	FWSKUWBDVRDPMW-UHFFFAOYSA-N	-1	3	352.427	2.074	20	30		FEEDHM
CNC(=O)c1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1	ZINC000826067927	609269794	/nfs/dbraw/zinc/26/97/94/609269794.db2.gz	NHDHJVCWNUNMJQ-RUDMXATFSA-N	-1	3	351.341	2.262	20	30		FEEDHM
CNC(=O)c1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1	ZINC000826067927	609269795	/nfs/dbraw/zinc/26/97/95/609269795.db2.gz	NHDHJVCWNUNMJQ-RUDMXATFSA-N	-1	3	351.341	2.262	20	30		FEEDHM
C#CCCCCC(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1	ZINC000823837298	609310620	/nfs/dbraw/zinc/31/06/20/609310620.db2.gz	AOZWYHPXEQRADX-UHFFFAOYSA-N	-1	3	353.361	2.324	20	30		FEEDHM
C=CCN(CC=C)C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1	ZINC000823904270	609357152	/nfs/dbraw/zinc/35/71/52/609357152.db2.gz	YWDAOMRUQOJUSP-UHFFFAOYSA-N	-1	3	368.376	2.397	20	30		FEEDHM
CC(C)(C#N)CNC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1	ZINC000824058823	609432260	/nfs/dbraw/zinc/43/22/60/609432260.db2.gz	DGDXRQYRBJGDGR-UHFFFAOYSA-N	-1	3	366.381	2.318	20	30		FEEDHM
CC(C)(C#N)CNC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1	ZINC000824058823	609432262	/nfs/dbraw/zinc/43/22/62/609432262.db2.gz	DGDXRQYRBJGDGR-UHFFFAOYSA-N	-1	3	366.381	2.318	20	30		FEEDHM
CCOc1ccc(N(CCC#N)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc1	ZINC000825638333	609453992	/nfs/dbraw/zinc/45/39/92/609453992.db2.gz	JSIHRLVCZBSGJR-UHFFFAOYSA-N	-1	3	351.370	2.154	20	30		FEEDHM
CCOc1ccc(N(CCC#N)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1	ZINC000825638333	609453993	/nfs/dbraw/zinc/45/39/93/609453993.db2.gz	JSIHRLVCZBSGJR-UHFFFAOYSA-N	-1	3	351.370	2.154	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C(C)(C)c1cnn(C)c1	ZINC000823909718	609498962	/nfs/dbraw/zinc/49/89/62/609498962.db2.gz	OJVCPAZZQVYPOH-UHFFFAOYSA-N	-1	3	365.441	2.093	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C(C)(C)c1cnn(C)c1	ZINC000823909718	609498964	/nfs/dbraw/zinc/49/89/64/609498964.db2.gz	OJVCPAZZQVYPOH-UHFFFAOYSA-N	-1	3	365.441	2.093	20	30		FEEDHM
C=CCCCCOC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000811014288	674574161	/nfs/dbraw/zinc/57/41/61/674574161.db2.gz	SQIDZOFXNKDASA-ZDUSSCGKSA-N	-1	3	350.440	2.403	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]CC2(N3CCSCC3)CCCCC2)o1	ZINC000561512901	674674112	/nfs/dbraw/zinc/67/41/12/674674112.db2.gz	RRTCPPVOONOUCC-UHFFFAOYSA-N	-1	3	369.512	2.181	20	30		FEEDHM
C#C[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1)C(C)(C)C	ZINC000813775715	674779571	/nfs/dbraw/zinc/77/95/71/674779571.db2.gz	JUYSLNFSWKTECA-HNNXBMFYSA-N	-1	3	354.447	2.290	20	30		FEEDHM
COCc1nc(Cl)cc([N-]N=C2CCN(Cc3ccccc3)C2=O)n1	ZINC000814974972	674891029	/nfs/dbraw/zinc/89/10/29/674891029.db2.gz	MAOKPWVEQHZUPT-UHFFFAOYSA-N	-1	3	359.817	2.477	20	30		FEEDHM
O=C(N[C@@H]1CCN([O-])C1=O)c1ccc(Sc2ccccc2Cl)nn1	ZINC000816697299	675073676	/nfs/dbraw/zinc/07/36/76/675073676.db2.gz	XDDFPACTECVERS-LLVKDONJSA-N	-1	3	364.814	2.001	20	30		FEEDHM
Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N[C@@H]1CCCN([O-])C1=O	ZINC000816757395	675078183	/nfs/dbraw/zinc/07/81/83/675078183.db2.gz	RHUQHDVPIORYDW-CYBMUJFWSA-N	-1	3	363.414	2.291	20	30		FEEDHM
CCOc1ccc(-c2nc(C(=O)N[C@@H]3CCCN([O-])C3=O)cs2)cc1	ZINC000816759653	675078305	/nfs/dbraw/zinc/07/83/05/675078305.db2.gz	RFPVMYGRZLDZDO-CYBMUJFWSA-N	-1	3	361.423	2.319	20	30		FEEDHM
C[C@H](CC(=O)NC(C)(C)C(C)(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000817219525	675112334	/nfs/dbraw/zinc/11/23/34/675112334.db2.gz	BDASLUPOYXJAHI-GFCCVEGCSA-N	-1	3	365.499	2.445	20	30		FEEDHM
COC(=O)c1csc(S(=O)(=O)[N-]Cc2ccc(C#N)cc2F)c1	ZINC000609233248	675915043	/nfs/dbraw/zinc/91/50/43/675915043.db2.gz	BWEQIKOXYSDNKG-UHFFFAOYSA-N	-1	3	354.384	2.024	20	30		FEEDHM
C[N-]S(=O)(=O)c1cc(C(=O)OC[C@@H](C#N)Cc2ccccc2)c(C)o1	ZINC000122197006	671963941	/nfs/dbraw/zinc/96/39/41/671963941.db2.gz	FFMNUGYYWUFSOE-CQSZACIVSA-N	-1	3	362.407	2.035	20	30		FEEDHM
CN(C)C(=O)[C@@H]1CC[C@@H](C/N=C\c2cc(Br)ccc2[O-])O1	ZINC000255500402	672891803	/nfs/dbraw/zinc/89/18/03/672891803.db2.gz	NSMITWHPEPEMJF-JZXMDFRNSA-N	-1	3	355.232	2.209	20	30		FEEDHM
CO[C@@H](CS(=O)(=O)[N-]c1cccc(OCCCC#N)c1)[C@H]1CCOC1	ZINC000594696173	673117604	/nfs/dbraw/zinc/11/76/04/673117604.db2.gz	XQJFPSBMGYSTGU-YOEHRIQHSA-N	-1	3	368.455	2.162	20	30		FEEDHM
CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CC[C@@](C)(C#N)C2)cc1OC	ZINC000596486728	673389344	/nfs/dbraw/zinc/38/93/44/673389344.db2.gz	PCMRGCQVOWMSOO-INIZCTEOSA-N	-1	3	366.443	2.224	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](CCCC)COC)ccc1F	ZINC000736049325	673511742	/nfs/dbraw/zinc/51/17/42/673511742.db2.gz	IXCSKIXMSUOXGP-AWEZNQCLSA-N	-1	3	372.462	2.225	20	30		FEEDHM
C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)n1ccc(C=N[O-])nc1=O	ZINC000736306741	673519176	/nfs/dbraw/zinc/51/91/76/673519176.db2.gz	KHDMTDHTQLAYFS-VIFPVBQESA-N	-1	3	354.288	2.270	20	30		FEEDHM
C[C@H](C(=O)Nc1cccc(Br)c1)n1ccc(C=N[O-])nc1=O	ZINC000736306526	673519278	/nfs/dbraw/zinc/51/92/78/673519278.db2.gz	GPBJMNVUYIFEKP-SECBINFHSA-N	-1	3	365.187	2.014	20	30		FEEDHM
Cc1cccc(C)c1COC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000738578329	673622691	/nfs/dbraw/zinc/62/26/91/673622691.db2.gz	CQYZKOPCRPOMOQ-UHFFFAOYSA-N	-1	3	358.419	2.085	20	30		FEEDHM
CC(C)[C@@H](C#N)N1CCN(C(=O)c2cc([O-])cc(Br)c2)CC1	ZINC000599249103	673648311	/nfs/dbraw/zinc/64/83/11/673648311.db2.gz	QTVALIWPXKJIOX-OAHLLOKOSA-N	-1	3	366.259	2.461	20	30		FEEDHM
C=C(Cl)C[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1Br	ZINC000742298936	673719929	/nfs/dbraw/zinc/71/99/29/673719929.db2.gz	MNUCLFWLVMFPRX-UHFFFAOYSA-N	-1	3	368.636	2.267	20	30		FEEDHM
CC(F)(F)CCS(=O)(=O)[N-][C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000601387830	673853516	/nfs/dbraw/zinc/85/35/16/673853516.db2.gz	GYRIQNLMFPZZAZ-AWEZNQCLSA-N	-1	3	371.409	2.018	20	30		FEEDHM
CN(C)c1ccc(C=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)cc1	ZINC000746492456	673881557	/nfs/dbraw/zinc/88/15/57/673881557.db2.gz	WLDBEAYYRVAFMU-UHFFFAOYSA-N	-1	3	362.411	2.114	20	30		FEEDHM
CSc1nc(NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)n[n-]1	ZINC000819200030	675269181	/nfs/dbraw/zinc/26/91/81/675269181.db2.gz	QYLIJXNIFHZGLL-VIFPVBQESA-N	-1	3	354.436	2.052	20	30		FEEDHM
CCCCOc1c(Cl)cc(C(=O)N[C@H]2CCN([O-])C2=O)cc1OC	ZINC000820162990	675340494	/nfs/dbraw/zinc/34/04/94/675340494.db2.gz	LITUKUSXSWRIHC-LBPRGKRZSA-N	-1	3	356.806	2.247	20	30		FEEDHM
CCc1ccc(-c2nc(CC(=O)N[C@H]3CCCN([O-])C3=O)cs2)cc1	ZINC000820477047	675364910	/nfs/dbraw/zinc/36/49/10/675364910.db2.gz	SUWBKQJWMYWMDR-HNNXBMFYSA-N	-1	3	359.451	2.411	20	30		FEEDHM
O=C(CCCOc1cccc(Br)c1)N[C@@H]1CCCN([O-])C1=O	ZINC000820482011	675365343	/nfs/dbraw/zinc/36/53/43/675365343.db2.gz	CEJUWJQMKBYASL-CYBMUJFWSA-N	-1	3	371.231	2.105	20	30		FEEDHM
COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CCc3cc(C#N)ccc32)oc1C	ZINC000618715264	676350726	/nfs/dbraw/zinc/35/07/26/676350726.db2.gz	BMDHQYACUGEPGM-OAHLLOKOSA-N	-1	3	360.391	2.212	20	30		FEEDHM
C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@@](COC)(C(=O)[O-])C1	ZINC000635020569	677087706	/nfs/dbraw/zinc/08/77/06/677087706.db2.gz	ORWDLLYBHKKLOW-KBXCAEBGSA-N	-1	3	366.483	2.074	20	30		FEEDHM
C[C@@H]1CC(N=Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)CN1C	ZINC000761816240	680732195	/nfs/dbraw/zinc/73/21/95/680732195.db2.gz	DZMQPMGWELAMAR-LLVKDONJSA-N	-1	3	365.484	2.436	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)c2c(C)noc2C)ccc1F	ZINC000747876895	679909527	/nfs/dbraw/zinc/90/95/27/679909527.db2.gz	NCKYBOKQYWENIJ-UHFFFAOYSA-N	-1	3	367.402	2.171	20	30		FEEDHM
CCOc1ccc([N+](=O)[O-])cc1C=N[N-]S(=O)(=O)Cc1ccccc1	ZINC000748586696	679977597	/nfs/dbraw/zinc/97/75/97/679977597.db2.gz	ZPEOBNUOTSEAOM-UHFFFAOYSA-N	-1	3	363.395	2.447	20	30		FEEDHM
C[C@@H](CC(=O)NCCC1=CCCC1)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000753299724	680284710	/nfs/dbraw/zinc/28/47/10/680284710.db2.gz	LHTVGSCGIYETAE-ZDUSSCGKSA-N	-1	3	361.467	2.120	20	30		FEEDHM
C[C@@H]1CCC[C@H](CCOC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)C1	ZINC000757024560	680511098	/nfs/dbraw/zinc/51/10/98/680511098.db2.gz	JMQABRDPSCZTAY-ZIAGYGMSSA-N	-1	3	364.467	2.485	20	30		FEEDHM
C=CC(C)(C)CNC(=O)C[C@@H](C)[N-]S(=O)(=O)c1cccnc1Cl	ZINC000836828371	680519509	/nfs/dbraw/zinc/51/95/09/680519509.db2.gz	KFTATVKISHNGFJ-LLVKDONJSA-N	-1	3	359.879	2.120	20	30		FEEDHM
C[C@@H](OC(=O)c1cc(Br)c(F)cc1[O-])C(=O)N(C)CCC#N	ZINC000837780639	680648176	/nfs/dbraw/zinc/64/81/76/680648176.db2.gz	PDPOEHCXADULKO-MRVPVSSYSA-N	-1	3	373.178	2.211	20	30		FEEDHM
CC(C)C[C@@H]1C[C@H]1NC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000837901351	680659233	/nfs/dbraw/zinc/65/92/33/680659233.db2.gz	PYRAYSRIFAVVFB-UMVBOHGHSA-N	-1	3	363.483	2.055	20	30		FEEDHM
CC#CCCOC(=O)[C@H](CC(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000760296458	680681950	/nfs/dbraw/zinc/68/19/50/680681950.db2.gz	XQCFCIKFRKFXCS-HNNXBMFYSA-N	-1	3	362.451	2.096	20	30		FEEDHM
CC(=NNC1CCS(=O)(=O)CC1)c1cc(Br)ccc1[O-]	ZINC000776792382	681436323	/nfs/dbraw/zinc/43/63/23/681436323.db2.gz	UHCXDNJYTXTRMM-UHFFFAOYSA-N	-1	3	361.261	2.046	20	30		FEEDHM
O=C(N[C@H]1CCCN([O-])C1=O)[C@@H]1C[C@H]1c1ccc(Br)cc1	ZINC000848132409	681477973	/nfs/dbraw/zinc/47/79/73/681477973.db2.gz	QTOFGRVWEYFQEI-XQQFMLRXSA-N	-1	3	353.216	2.049	20	30		FEEDHM
CCCOc1ccc(C(=O)N[C@H]2CCCN([O-])C2=O)c(OC(C)C)c1	ZINC000848134184	681477993	/nfs/dbraw/zinc/47/79/93/681477993.db2.gz	PELGIAGLMHTWRT-HNNXBMFYSA-N	-1	3	350.415	2.373	20	30		FEEDHM
O=C(Cc1cc(Cl)ccc1Br)N[C@H]1CCCN([O-])C1=O	ZINC000848135409	681478077	/nfs/dbraw/zinc/47/80/77/681478077.db2.gz	CNIOCWASQZILRR-NSHDSACASA-N	-1	3	361.623	2.141	20	30		FEEDHM
Cc1cc(Br)cc(C=NN2CC(=O)[N-]C2=O)c1OC(F)F	ZINC000777879359	681539657	/nfs/dbraw/zinc/53/96/57/681539657.db2.gz	IUKBZWCOKZXGEH-UHFFFAOYSA-N	-1	3	362.130	2.245	20	30		FEEDHM
N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]C[C@]12OCCC[C@H]1C2(F)F	ZINC000849459212	681745374	/nfs/dbraw/zinc/74/53/74/681745374.db2.gz	YMTBHRNQQUBYGY-OLZOCXBDSA-N	-1	3	362.785	2.304	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)NN2[C@H](C)CCC[C@@H]2C)ccc1F	ZINC000914457168	685508090	/nfs/dbraw/zinc/50/80/90/685508090.db2.gz	MMDDSQJNMHGPIQ-BETUJISGSA-N	-1	3	369.462	2.198	20	30		FEEDHM
C[C@H](CC(=O)OCC[C@H]1CC1(F)F)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000851382132	682059842	/nfs/dbraw/zinc/05/98/42/682059842.db2.gz	VOTHLYPIDQCPEL-MNOVXSKESA-N	-1	3	372.393	2.092	20	30		FEEDHM
COc1cc(Br)cc(C=N[N-]c2[nH+]cnc3[n-]cnc32)c1O	ZINC000917554258	685532931	/nfs/dbraw/zinc/53/29/31/685532931.db2.gz	AMZVBCLTLRGQPP-UHFFFAOYSA-N	-1	3	363.175	2.276	20	30		FEEDHM
C[C@@H]1CCN(Cc2ccc(OCC#N)cc2)C[C@@H]1[N-]C(=O)C(F)(F)F	ZINC000852757977	682337553	/nfs/dbraw/zinc/33/75/53/682337553.db2.gz	TYEBRRHRKTVHCU-DOMZBBRYSA-N	-1	3	355.360	2.478	20	30		FEEDHM
CCCC[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OCC1(F)CC1	ZINC000789588146	682620379	/nfs/dbraw/zinc/62/03/79/682620379.db2.gz	YIAMFUVEOVGBHN-CYBMUJFWSA-N	-1	3	368.430	2.329	20	30		FEEDHM
N#Cc1sccc1N1CCN(C(=O)c2cc3c(cc2[O-])OCO3)CC1	ZINC000855336292	682658828	/nfs/dbraw/zinc/65/88/28/682658828.db2.gz	NMVZBXKYDGTFCC-UHFFFAOYSA-N	-1	3	357.391	2.016	20	30		FEEDHM
C=CCN(CC=C)C(=O)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F	ZINC000791122169	682724061	/nfs/dbraw/zinc/72/40/61/682724061.db2.gz	TVGCTKBGGMIUJK-UHFFFAOYSA-N	-1	3	356.394	2.220	20	30		FEEDHM
CC[C@@H]1C[C@H]1NC(=O)[C@H](CC(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000798094617	683308059	/nfs/dbraw/zinc/30/80/59/683308059.db2.gz	URJMHOIMMSFTGG-YUELXQCFSA-N	-1	3	363.483	2.055	20	30		FEEDHM
CC(C)C[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OCC(C)(F)F	ZINC000861227521	683372977	/nfs/dbraw/zinc/37/29/77/683372977.db2.gz	ZNAQSEDWQDBDIE-GFCCVEGCSA-N	-1	3	374.409	2.338	20	30		FEEDHM
C=CC[C@@H](CC)NC(=O)C[C@@H](C)[N-]S(=O)(=O)c1cccnc1Cl	ZINC000799035159	683416318	/nfs/dbraw/zinc/41/63/18/683416318.db2.gz	UMKULXLJDQLSOV-VXGBXAGGSA-N	-1	3	359.879	2.263	20	30		FEEDHM
C#C[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)C(C)C	ZINC000799043610	683416790	/nfs/dbraw/zinc/41/67/90/683416790.db2.gz	QYJXITBKCQKJBZ-AWEZNQCLSA-N	-1	3	354.447	2.290	20	30		FEEDHM
COc1ccc(C#N)cc1CN1CCC(C[N-]C(=O)C(F)(F)F)CC1	ZINC000799172304	683432044	/nfs/dbraw/zinc/43/20/44/683432044.db2.gz	ILBPJGLTXQZPFF-UHFFFAOYSA-N	-1	3	355.360	2.457	20	30		FEEDHM
C#CC[C@@H]1CCN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)C1	ZINC000862561758	683601378	/nfs/dbraw/zinc/60/13/78/683601378.db2.gz	QLSSWQZKEOXBNR-CYBMUJFWSA-N	-1	3	366.458	2.388	20	30		FEEDHM
C[N-]S(=O)(=O)c1cc(C(=O)OCC2CCC(C#N)CC2)ccc1F	ZINC000922514731	683739024	/nfs/dbraw/zinc/73/90/24/683739024.db2.gz	GGRWLMFUYZHDBJ-UHFFFAOYSA-N	-1	3	354.403	2.221	20	30		FEEDHM
C=C(C)C[C@H](CO)NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1	ZINC000922739863	683775672	/nfs/dbraw/zinc/77/56/72/683775672.db2.gz	DTJQWFREMNHTOQ-LLVKDONJSA-N	-1	3	365.227	2.348	20	30		FEEDHM
N#CCc1ccsc1C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1	ZINC000866597199	684124944	/nfs/dbraw/zinc/12/49/44/684124944.db2.gz	YMPCGRQIQQVJPK-UHFFFAOYSA-N	-1	3	355.419	2.118	20	30		FEEDHM
O=C(N[C@@H]1CCCN([O-])C1=O)c1oc2ccccc2c1Br	ZINC000868563359	684511857	/nfs/dbraw/zinc/51/18/57/684511857.db2.gz	RVUOJFXCKJQLFC-SECBINFHSA-N	-1	3	353.172	2.305	20	30		FEEDHM
C[C@H]1C(N=Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)CCN1C	ZINC000872355611	684939565	/nfs/dbraw/zinc/93/95/65/684939565.db2.gz	YLWLMXXEQUQARM-NSHDSACASA-N	-1	3	365.484	2.436	20	30		FEEDHM
C[C@H](CC(=O)O[C@H](C)[C@@H]1CC12CC2)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000873627243	685176861	/nfs/dbraw/zinc/17/68/61/685176861.db2.gz	VFFMRINWHBPMOM-BZPMIXESSA-N	-1	3	362.451	2.236	20	30		FEEDHM
CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)N[C@H]2CCCN([O-])C2=O)c1	ZINC000878737626	686646899	/nfs/dbraw/zinc/64/68/99/686646899.db2.gz	PPZYZZBALOTBQD-SXBQZSJRSA-N	-1	3	367.471	2.236	20	30		FEEDHM
O=C(Nc1c(F)cc(Br)cc1F)N[C@H]1CCCN([O-])C1=O	ZINC000878820690	686668276	/nfs/dbraw/zinc/66/82/76/686668276.db2.gz	TWPMYVRKWAZARH-VIFPVBQESA-N	-1	3	364.146	2.229	20	30		FEEDHM
C=CC[S@@](=O)(=NC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C)c1ccccc1	ZINC000891379296	689056639	/nfs/dbraw/zinc/05/66/39/689056639.db2.gz	CQUILFMNDFJSRC-BSEYFRJRSA-N	-1	3	372.512	2.190	20	30		FEEDHM
N#Cc1ncc(C(F)(F)F)cc1N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1	ZINC000897345220	690009372	/nfs/dbraw/zinc/00/93/72/690009372.db2.gz	JDNHBFIFGGQRGQ-SNVBAGLBSA-N	-1	3	350.304	2.158	20	30		FEEDHM
N#CC[C@H]([N-]S(=O)(=O)c1c[nH]c2ncc(Cl)cc12)C(F)(F)F	ZINC000901949696	690719410	/nfs/dbraw/zinc/71/94/10/690719410.db2.gz	VTUQVBCHFRMVCC-VIFPVBQESA-N	-1	3	352.725	2.339	20	30		FEEDHM
COC(=O)[C@@](C)(CCF)[N-]S(=O)(=O)c1c(C#N)sc2ccccc21	ZINC000907284359	691441716	/nfs/dbraw/zinc/44/17/16/691441716.db2.gz	GMNHMTWVLFHCEO-OAHLLOKOSA-N	-1	3	370.427	2.343	20	30		FEEDHM
C=C(Cl)C[C@@H](NC(=O)NC[C@@H](Cc1ccccc1)N(C)C)C(=O)[O-]	ZINC000908748597	691721950	/nfs/dbraw/zinc/72/19/50/691721950.db2.gz	GCTJBPUCDFMMCI-HUUCEWRRSA-N	-1	3	353.850	2.054	20	30		FEEDHM
C#CCN1CCC(C(=O)N[C@](CC)(C(=O)[O-])c2ccc(Cl)cc2)CC1	ZINC000909605696	691838502	/nfs/dbraw/zinc/83/85/02/691838502.db2.gz	JIJWVLPGUQQHBX-IBGZPJMESA-N	-1	3	362.857	2.491	20	30		FEEDHM
C=CCOCCCC(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1	ZINC001263627262	939827693	/nfs/dbraw/zinc/82/76/93/939827693.db2.gz	FZXWHKDWNXISQN-HXUWFJFHSA-N	-1	3	360.454	2.205	20	30		FEEDHM
C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccccc1[N-]S(C)(=O)=O	ZINC000024887146	539743806	/nfs/dbraw/zinc/74/38/06/539743806.db2.gz	BFYCFIQHSLWWNM-GFCCVEGCSA-N	-1	3	359.407	2.336	20	30		FEEDHM
Cc1cccc([C@@H](C/N=C/c2c([O-])c(C)ncc2CO)N2CCOCC2)c1	ZINC000032070341	539928441	/nfs/dbraw/zinc/92/84/41/539928441.db2.gz	MGVOBBFXGJJHHJ-XLKWYTADSA-N	-1	3	369.465	2.389	20	30		FEEDHM
Cc1cc([C@H]2CCCN2C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)no1	ZINC000044633801	540134258	/nfs/dbraw/zinc/13/42/58/540134258.db2.gz	VKMXZPBENAXCPV-QGZVFWFLSA-N	-1	3	354.410	2.456	20	30		FEEDHM
Cc1ccc(S(C)(=O)=O)cc1C(=O)Nc1nnc(-c2ccccn2)[n-]1	ZINC000053524334	540541116	/nfs/dbraw/zinc/54/11/16/540541116.db2.gz	FEBXKBCEQQXRPU-UHFFFAOYSA-N	-1	3	357.395	2.215	20	30		FEEDHM
Cc1ccc(S(C)(=O)=O)cc1C(=O)Nc1nc(-c2ccccn2)n[n-]1	ZINC000053524334	540541120	/nfs/dbraw/zinc/54/11/20/540541120.db2.gz	FEBXKBCEQQXRPU-UHFFFAOYSA-N	-1	3	357.395	2.215	20	30		FEEDHM
Cc1ccc(S(C)(=O)=O)cc1C(=O)Nc1n[n-]c(-c2ccccn2)n1	ZINC000053524334	540541124	/nfs/dbraw/zinc/54/11/24/540541124.db2.gz	FEBXKBCEQQXRPU-UHFFFAOYSA-N	-1	3	357.395	2.215	20	30		FEEDHM
C[C@@H](Nc1ccc(C(=O)N=C2[N-]C(=O)CN2)cc1[N+](=O)[O-])c1ccccn1	ZINC000054100864	540568879	/nfs/dbraw/zinc/56/88/79/540568879.db2.gz	VSEXJWLDKOYUDX-SNVBAGLBSA-N	-1	3	368.353	2.219	20	30		FEEDHM
Cn1cccc(C(=O)N=c2ccn(-c3ccc(Cl)cc3C#N)[n-]2)c1=O	ZINC000541087350	541148555	/nfs/dbraw/zinc/14/85/55/541148555.db2.gz	PHOXGOZWCICGCH-UHFFFAOYSA-N	-1	3	353.769	2.348	20	30		FEEDHM
Cc1c(Cl)cnc(NCC[N-]S(=O)(=O)c2cccs2)c1C#N	ZINC000543135298	541538079	/nfs/dbraw/zinc/53/80/79/541538079.db2.gz	FKTNRNPOFMLKFR-UHFFFAOYSA-N	-1	3	356.860	2.367	20	30		FEEDHM
Cc1ncc(CNC(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)c(=O)[n-]1	ZINC000543311502	541569988	/nfs/dbraw/zinc/56/99/88/541569988.db2.gz	LINPCQSOMZZRPT-UHFFFAOYSA-N	-1	3	367.344	2.009	20	30		FEEDHM
COc1cc(OCC(=O)Nc2nnc(C(F)(F)F)[n-]2)ccc1[N+](=O)[O-]	ZINC000069127724	541661059	/nfs/dbraw/zinc/66/10/59/541661059.db2.gz	LBRIZQWHRUJGGY-UHFFFAOYSA-N	-1	3	361.236	2.407	20	30		FEEDHM
COc1cc(OCC(=O)Nc2nc(C(F)(F)F)n[n-]2)ccc1[N+](=O)[O-]	ZINC000069127724	541661060	/nfs/dbraw/zinc/66/10/60/541661060.db2.gz	LBRIZQWHRUJGGY-UHFFFAOYSA-N	-1	3	361.236	2.407	20	30		FEEDHM
CC(C)(C)c1cc(CS(=O)(=O)[N-]CC(=O)c2ccc(C#N)cc2)no1	ZINC000551206844	674130879	/nfs/dbraw/zinc/13/08/79/674130879.db2.gz	IEGOSNLVCAXSNP-UHFFFAOYSA-N	-1	3	361.423	2.146	20	30		FEEDHM
C[C@@H](NC(=O)CC[N-]S(=O)(=O)c1cccs1)c1cccc(C#N)c1	ZINC000075275721	542165490	/nfs/dbraw/zinc/16/54/90/542165490.db2.gz	BDVOEHVVPUJJCL-GFCCVEGCSA-N	-1	3	363.464	2.166	20	30		FEEDHM
O=C(CNC(=O)c1cc2ccccc2[nH]1)Nc1nnc(C(F)(F)F)[n-]1	ZINC000079720244	542538312	/nfs/dbraw/zinc/53/83/12/542538312.db2.gz	ODXWOOAAEXFRAS-UHFFFAOYSA-N	-1	3	352.276	2.323	20	30		FEEDHM
O=C(CNC(=O)c1cc2ccccc2[nH]1)Nc1nc(C(F)(F)F)n[n-]1	ZINC000079720244	542538314	/nfs/dbraw/zinc/53/83/14/542538314.db2.gz	ODXWOOAAEXFRAS-UHFFFAOYSA-N	-1	3	352.276	2.323	20	30		FEEDHM
C[C@@H](CC#N)[N-]S(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1	ZINC000092301592	542855538	/nfs/dbraw/zinc/85/55/38/542855538.db2.gz	WBUMRAITYWKKSG-NSHDSACASA-N	-1	3	357.501	2.033	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCN(CC3CC3)C2)c(C(F)(F)F)c1	ZINC000108403989	543289059	/nfs/dbraw/zinc/28/90/59/543289059.db2.gz	MLFGPYOSKQIPOU-CYBMUJFWSA-N	-1	3	373.400	2.340	20	30		FEEDHM
Cc1noc(C)c1S(=O)(=O)[N-][C@H]1CCCN(c2ccccc2C#N)C1	ZINC000109136375	543314853	/nfs/dbraw/zinc/31/48/53/543314853.db2.gz	MHZFLKFZAXVLJZ-HNNXBMFYSA-N	-1	3	360.439	2.110	20	30		FEEDHM
C=CCCS(=O)(=O)[N-]c1cc(NS(=O)(=O)CCC)c(F)cc1F	ZINC000120161017	543676229	/nfs/dbraw/zinc/67/62/29/543676229.db2.gz	RRMPRVSZMMWRLJ-UHFFFAOYSA-N	-1	3	368.427	2.434	20	30		FEEDHM
CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)cc1	ZINC000123708012	543778605	/nfs/dbraw/zinc/77/86/05/543778605.db2.gz	VKRXHUZPZQICCT-UHFFFAOYSA-N	-1	3	370.839	2.416	20	30		FEEDHM
Cc1nc([C@@H]([N-]S(=O)(=O)CCCC#N)c2ccc(Cl)c(F)c2)no1	ZINC000132772406	544243210	/nfs/dbraw/zinc/24/32/10/544243210.db2.gz	CFQIZWCOUIGAND-ZDUSSCGKSA-N	-1	3	372.809	2.483	20	30		FEEDHM
C=CCNC(=O)c1c[n-]c2ccc(I)cc2c1=O	ZINC000153557406	544790763	/nfs/dbraw/zinc/79/07/63/544790763.db2.gz	NNFJATINLLWCSY-UHFFFAOYSA-N	-1	3	354.147	2.049	20	30		FEEDHM
CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000181936924	327753784	/nfs/dbraw/zinc/75/37/84/327753784.db2.gz	MWBROFIBGSWRSB-UHFFFAOYSA-N	-1	3	368.393	2.376	20	30		FEEDHM
CCOC(=O)[C@@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)[C@@H](C)CC	ZINC000184983268	327893265	/nfs/dbraw/zinc/89/32/65/327893265.db2.gz	QCGOKJSLYVPBGH-HZMBPMFUSA-N	-1	3	358.847	2.468	20	30		FEEDHM
N#Cc1nc(N)n(Cc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)c1C#N	ZINC000193005000	328351734	/nfs/dbraw/zinc/35/17/34/328351734.db2.gz	BJIUADNUQUVSFT-UHFFFAOYSA-N	-1	3	373.401	2.222	20	30		FEEDHM
N#Cc1c(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)cn2ccccc12	ZINC000085785354	325258631	/nfs/dbraw/zinc/25/86/31/325258631.db2.gz	VUSHOCVJWAZODR-UHFFFAOYSA-N	-1	3	360.417	2.475	20	30		FEEDHM
CCO[C@H](CC[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)C(C)C	ZINC000124317751	326451590	/nfs/dbraw/zinc/45/15/90/326451590.db2.gz	ALJYLABZPYIHBE-CQSZACIVSA-N	-1	3	355.416	2.196	20	30		FEEDHM
N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@@H]1CCO[C@]2(CCSC2)C1	ZINC000127580743	326509075	/nfs/dbraw/zinc/50/90/75/326509075.db2.gz	NIIVTLPNSDPJLT-UKRRQHHQSA-N	-1	3	356.444	2.030	20	30		FEEDHM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1[C@H]2CCc3ccccc3[C@@H]12	ZINC000128344290	326522134	/nfs/dbraw/zinc/52/21/34/326522134.db2.gz	AXAWRTGHTLKWEM-MORSLUCNSA-N	-1	3	369.402	2.473	20	30		FEEDHM
CN1CCN(Cc2cccc([N-]S(=O)(=O)c3ccc(C#N)cc3)c2)CC1	ZINC000153943194	326746999	/nfs/dbraw/zinc/74/69/99/326746999.db2.gz	AYPFEUBFJOTRFK-UHFFFAOYSA-N	-1	3	370.478	2.106	20	30		FEEDHM
Cn1cc(C#N)c([N-]C(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)n1	ZINC000160972115	326983903	/nfs/dbraw/zinc/98/39/03/326983903.db2.gz	YSSFJXMGDCOYBI-UHFFFAOYSA-N	-1	3	372.431	2.438	20	30		FEEDHM
N#Cc1ccc(CC(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)cc1	ZINC000172583218	327209750	/nfs/dbraw/zinc/20/97/50/327209750.db2.gz	SCRNKEOWUJSGHG-UHFFFAOYSA-N	-1	3	373.409	2.319	20	30		FEEDHM
CN(C)C(=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C#N)C1	ZINC000269687895	329540212	/nfs/dbraw/zinc/54/02/12/329540212.db2.gz	VWONQDMRGOJHDB-FZMZJTMJSA-N	-1	3	369.874	2.137	20	30		FEEDHM
C#CCCCS(=O)(=O)[N-][C@H](Cc1ccccc1)C(=O)OC(C)(C)C	ZINC000805035431	674314171	/nfs/dbraw/zinc/31/41/71/674314171.db2.gz	KVHWBPINBCMGPE-MRXNPFEDSA-N	-1	3	351.468	2.272	20	30		FEEDHM
C=C(C)C[N-]S(=O)(=O)c1cc(OC)c(Br)cc1OC	ZINC000155334146	545512945	/nfs/dbraw/zinc/51/29/45/545512945.db2.gz	HCLRKXGPLOFFKR-UHFFFAOYSA-N	-1	3	350.234	2.321	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nc2ccc(Cl)cn2n1	ZINC000157231879	545715905	/nfs/dbraw/zinc/71/59/05/545715905.db2.gz	DVIMDMCMZZECNS-UHFFFAOYSA-N	-1	3	370.800	2.131	20	30		FEEDHM
N#CCCCS(=O)(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1	ZINC000161831875	546134179	/nfs/dbraw/zinc/13/41/79/546134179.db2.gz	AIMMCOJJBMYQPS-OAHLLOKOSA-N	-1	3	371.890	2.233	20	30		FEEDHM
C=CCN1CCC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1	ZINC000171536849	546213500	/nfs/dbraw/zinc/21/35/00/546213500.db2.gz	YARWTARDKQGATM-UHFFFAOYSA-N	-1	3	359.835	2.177	20	30		FEEDHM
N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]Cc1ccc(CO)c(F)c1	ZINC000178626922	546822670	/nfs/dbraw/zinc/82/26/70/546822670.db2.gz	MSAIPGKTOYNUCO-UHFFFAOYSA-N	-1	3	354.790	2.322	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](CC)CSC)ccc1F	ZINC000180554820	547129126	/nfs/dbraw/zinc/12/91/26/547129126.db2.gz	WFHOBHGYOGMVQS-LBPRGKRZSA-N	-1	3	360.476	2.161	20	30		FEEDHM
C#CCCCCNC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1	ZINC000180826962	547188026	/nfs/dbraw/zinc/18/80/26/547188026.db2.gz	IZMFRVWQRALYSM-UHFFFAOYSA-N	-1	3	353.419	2.191	20	30		FEEDHM
COC(=O)c1cccc(CS(=O)(=O)[N-][C@@]2(C#N)CCC[C@@H](C)C2)c1	ZINC000182013003	547422419	/nfs/dbraw/zinc/42/24/19/547422419.db2.gz	KAILQNRUPKHMBB-DYVFJYSZSA-N	-1	3	350.440	2.365	20	30		FEEDHM
COc1ccc2c(c1)nc(C[N-]S(=O)(=O)c1ccc(F)cc1C#N)n2C	ZINC000185289335	547964085	/nfs/dbraw/zinc/96/40/85/547964085.db2.gz	KHMXLUZQSMURGK-UHFFFAOYSA-N	-1	3	374.397	2.071	20	30		FEEDHM
C=CCCS(=O)(=O)[N-][C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O	ZINC000186148853	548091382	/nfs/dbraw/zinc/09/13/82/548091382.db2.gz	KROHGGWMMKINBX-GFCCVEGCSA-N	-1	3	362.373	2.306	20	30		FEEDHM
N#Cc1ccc(OC2CCC(NC(=O)c3cccc4nn[n-]c43)CC2)nc1	ZINC000188683676	548285271	/nfs/dbraw/zinc/28/52/71/548285271.db2.gz	VETBDVWVSLYGIG-UHFFFAOYSA-N	-1	3	362.393	2.345	20	30		FEEDHM
N#Cc1ccc(OC2CCC(NC(=O)c3cccc4[n-]nnc43)CC2)nc1	ZINC000188683676	548285277	/nfs/dbraw/zinc/28/52/77/548285277.db2.gz	VETBDVWVSLYGIG-UHFFFAOYSA-N	-1	3	362.393	2.345	20	30		FEEDHM
N#Cc1ccc(OC2CCC(NC(=O)c3cccc4n[n-]nc43)CC2)nc1	ZINC000188683676	548285281	/nfs/dbraw/zinc/28/52/81/548285281.db2.gz	VETBDVWVSLYGIG-UHFFFAOYSA-N	-1	3	362.393	2.345	20	30		FEEDHM
N#Cc1ccc(CS(=O)(=O)[N-]c2ccc3c(c2)N(C(N)=O)CC3)c(F)c1	ZINC000487396549	561369107	/nfs/dbraw/zinc/36/91/07/561369107.db2.gz	PTRPGOGSUHKDEF-UHFFFAOYSA-N	-1	3	374.397	2.080	20	30		FEEDHM
C[C@H](C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)N1CCC[C@H](C)C1	ZINC000246464182	549139472	/nfs/dbraw/zinc/13/94/72/549139472.db2.gz	GDYLMQWRBGPVNB-NWDGAFQWSA-N	-1	3	357.426	2.235	20	30		FEEDHM
CC[C@@H]([N-]S(=O)(=O)c1cnc(C)c(C#N)c1)c1nnc2n1CCCCC2	ZINC000489272105	561407032	/nfs/dbraw/zinc/40/70/32/561407032.db2.gz	TVEFXXIHQVCGDL-OAHLLOKOSA-N	-1	3	374.470	2.009	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(-c2nc(C3(N)CCCC3)no2)ccc1F	ZINC000261830906	549760610	/nfs/dbraw/zinc/76/06/10/549760610.db2.gz	RDYXRMDUZTUZDQ-UHFFFAOYSA-N	-1	3	366.418	2.068	20	30		FEEDHM
CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)C[C@H](C)C#N)cc1	ZINC000265642670	550012517	/nfs/dbraw/zinc/01/25/17/550012517.db2.gz	JJNWAIFKHAGEQE-CYBMUJFWSA-N	-1	3	373.500	2.009	20	30		FEEDHM
CN1CCN(C(=O)Cc2cccc(/N=C/c3cccc([O-])c3O)c2)CC1	ZINC000267010614	550026480	/nfs/dbraw/zinc/02/64/80/550026480.db2.gz	DHAWPQHPUPEZPV-KGENOOAVSA-N	-1	3	353.422	2.165	20	30		FEEDHM
Cc1ncc(CO)c(/C=N/[C@@H]2CCN(c3c(F)cccc3F)C2=O)c1[O-]	ZINC000267943345	550036028	/nfs/dbraw/zinc/03/60/28/550036028.db2.gz	VKONQIJJDZKGPK-BMXJRBKKSA-N	-1	3	361.348	2.091	20	30		FEEDHM
CC(C)Oc1ccc(NC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C)cc1C#N	ZINC000269398429	550190832	/nfs/dbraw/zinc/19/08/32/550190832.db2.gz	NEFNLILFWNBTCH-OAHLLOKOSA-N	-1	3	367.471	2.248	20	30		FEEDHM
N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@@H]1CCOC2(CCSCC2)C1	ZINC000269720495	550219926	/nfs/dbraw/zinc/21/99/26/550219926.db2.gz	UJMZZLOUHNIMOY-CQSZACIVSA-N	-1	3	370.471	2.420	20	30		FEEDHM
N#C[C@@H]([N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2)C1CCCCC1	ZINC000270128987	550251195	/nfs/dbraw/zinc/25/11/95/550251195.db2.gz	OGMBCVAFUCQXOT-OAHLLOKOSA-N	-1	3	365.430	2.461	20	30		FEEDHM
COC(=O)[C@@H]1CCCC[C@]1(C)NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C	ZINC000270431071	550271613	/nfs/dbraw/zinc/27/16/13/550271613.db2.gz	WBJDDNLYJJGGBF-JXFKEZNVSA-N	-1	3	373.453	2.446	20	30		FEEDHM
CC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)[C@@H](O)C(F)(F)F	ZINC000270884529	550317586	/nfs/dbraw/zinc/31/75/86/550317586.db2.gz	WLYSWWZNCAJQBY-GHMZBOCLSA-N	-1	3	356.753	2.192	20	30		FEEDHM
CCCn1c(=O)[n-]c(=O)c2c(C(=O)NCCCC#N)cc(C(C)C)nc21	ZINC000273139032	550486638	/nfs/dbraw/zinc/48/66/38/550486638.db2.gz	XDSBHLQVKLBKPX-UHFFFAOYSA-N	-1	3	357.414	2.064	20	30		FEEDHM
C[C@@H]1CCN(C(=O)CCNC(=O)C2N=CC=CC2=O)c2c([O-])cccc21	ZINC000274402335	550536083	/nfs/dbraw/zinc/53/60/83/550536083.db2.gz	SQQJJRNKSSRACM-JFLJVCDGSA-N	-1	3	355.394	2.149	20	30		FEEDHM
COC(=O)[C@@H]1C[C@@H](C)CCN1C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C	ZINC000274817624	550557038	/nfs/dbraw/zinc/55/70/38/550557038.db2.gz	RODZFJZCUJVKQY-ZBEGNZNMSA-N	-1	3	359.426	2.008	20	30		FEEDHM
C#CCC1(C(=O)Nc2ccc(C[C@@H]3NC(=O)[N-]C3=O)cc2)CCCCC1	ZINC000276527441	550579039	/nfs/dbraw/zinc/57/90/39/550579039.db2.gz	KPPFTYSLLOQUEJ-INIZCTEOSA-N	-1	3	353.422	2.349	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-][C@@H](C[C@H]1CCOC1)c1ccccc1	ZINC000276970115	550616698	/nfs/dbraw/zinc/61/66/98/550616698.db2.gz	DOJISWOHPQAUTF-ZBFHGGJFSA-N	-1	3	357.435	2.399	20	30		FEEDHM
CCCOc1ccc(C[N-]S(=O)(=O)c2cccnc2C#N)cc1OC	ZINC000277125762	550634898	/nfs/dbraw/zinc/63/48/98/550634898.db2.gz	ZTABJADJOCDIFK-UHFFFAOYSA-N	-1	3	361.423	2.229	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1	ZINC000277176031	550640103	/nfs/dbraw/zinc/64/01/03/550640103.db2.gz	NALSSHWZGCVYPJ-CJNGLKHVSA-N	-1	3	365.361	2.040	20	30		FEEDHM
CC(C)(C)OC(=O)CCC(C)(C)[N-]S(=O)(=O)c1cccnc1C#N	ZINC000277224816	550645273	/nfs/dbraw/zinc/64/52/73/550645273.db2.gz	SGCDKIYJGUOXJZ-UHFFFAOYSA-N	-1	3	353.444	2.132	20	30		FEEDHM
C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cccnc2C#N)CCN1Cc1ccccc1	ZINC000277254504	550648285	/nfs/dbraw/zinc/64/82/85/550648285.db2.gz	VZNAKJHWNVAILP-RDJZCZTQSA-N	-1	3	370.478	2.285	20	30		FEEDHM
CCOC(=O)c1nnc(C2CCN(c3ccc(C#N)cc3[N+](=O)[O-])CC2)[n-]1	ZINC000277812547	550716901	/nfs/dbraw/zinc/71/69/01/550716901.db2.gz	IEUYKBFWYGAODQ-UHFFFAOYSA-N	-1	3	370.369	2.145	20	30		FEEDHM
CCOC(=O)c1nc(C2CCN(c3ccc(C#N)cc3[N+](=O)[O-])CC2)n[n-]1	ZINC000277812547	550716903	/nfs/dbraw/zinc/71/69/03/550716903.db2.gz	IEUYKBFWYGAODQ-UHFFFAOYSA-N	-1	3	370.369	2.145	20	30		FEEDHM
CCOC(=O)c1n[n-]c(C2CCN(c3ccc(C#N)cc3[N+](=O)[O-])CC2)n1	ZINC000277812547	550716904	/nfs/dbraw/zinc/71/69/04/550716904.db2.gz	IEUYKBFWYGAODQ-UHFFFAOYSA-N	-1	3	370.369	2.145	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@@]2(CCOC2)OC(C)(C)C1	ZINC000280569139	551008630	/nfs/dbraw/zinc/00/86/30/551008630.db2.gz	OWAFEWFZSRCQRY-HXUWFJFHSA-N	-1	3	373.453	2.005	20	30		FEEDHM
C=CC[C@@H](CC)[N-]S(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl	ZINC000281429397	551096303	/nfs/dbraw/zinc/09/63/03/551096303.db2.gz	GKAPEXSVQONVCW-SNVBAGLBSA-N	-1	3	351.877	2.377	20	30		FEEDHM
COc1ccccc1[C@@H]([N-]S(=O)(=O)N(C)C[C@H](C)C#N)c1ccco1	ZINC000281716326	551134266	/nfs/dbraw/zinc/13/42/66/551134266.db2.gz	DQVWMQGYUWTTSS-CXAGYDPISA-N	-1	3	363.439	2.303	20	30		FEEDHM
COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]CC1CCC(C#N)CC1	ZINC000282494805	551236953	/nfs/dbraw/zinc/23/69/53/551236953.db2.gz	JYIHFCBKQOMDDS-UHFFFAOYSA-N	-1	3	354.403	2.221	20	30		FEEDHM
CC#CCC[N-]S(=O)(=O)c1ccc(C(=O)OCC)cc1Br	ZINC000498888567	561536807	/nfs/dbraw/zinc/53/68/07/561536807.db2.gz	ISFSSJSVPAWGLT-UHFFFAOYSA-N	-1	3	374.256	2.318	20	30		FEEDHM
C#C[C@H]([N-]S(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl)C(C)(C)C	ZINC000287368140	551995392	/nfs/dbraw/zinc/99/53/92/551995392.db2.gz	IOSHKRRLCSFAGR-VIFPVBQESA-N	-1	3	369.917	2.131	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)c1cccc(Br)c1C#N)[C@@H]1CCOC1	ZINC000288236977	552116600	/nfs/dbraw/zinc/11/66/00/552116600.db2.gz	SFIDAWGDWHVEMD-VHSXEESVSA-N	-1	3	359.245	2.024	20	30		FEEDHM
Cc1nsc(N2CCN(Cc3nc4ccsc4c(=O)[n-]3)CC2)c1C#N	ZINC000288274055	552124013	/nfs/dbraw/zinc/12/40/13/552124013.db2.gz	ZJXRALVACWKTHM-UHFFFAOYSA-N	-1	3	372.479	2.356	20	30		FEEDHM
CN(c1ccc([N-]S(=O)(=O)c2ccc(C#N)o2)cc1)C1CCN(C)CC1	ZINC000288593696	552181590	/nfs/dbraw/zinc/18/15/90/552181590.db2.gz	NFLAXGXDJMRLBS-UHFFFAOYSA-N	-1	3	374.466	2.482	20	30		FEEDHM
C=C[C@@](C)(CCOC)c1nc(-c2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)no1	ZINC000290210285	552442726	/nfs/dbraw/zinc/44/27/26/552442726.db2.gz	OOXQYZHJEXVTIL-OALUTQOASA-N	-1	3	370.409	2.271	20	30		FEEDHM
CO[C@@H](C)c1nc(C[N-]S(=O)(=O)c2ccc(C#N)c(F)c2)cs1	ZINC000292800200	552759678	/nfs/dbraw/zinc/75/96/78/552759678.db2.gz	ZFFHLZAJXYMREV-VIFPVBQESA-N	-1	3	355.416	2.340	20	30		FEEDHM
CC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)[C@H](O)C(F)F	ZINC000295732798	553051954	/nfs/dbraw/zinc/05/19/54/553051954.db2.gz	MTGRYVYXEDZWER-KOLCDFICSA-N	-1	3	372.315	2.260	20	30		FEEDHM
Cc1nsc(NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)c1C#N	ZINC000297493063	553299803	/nfs/dbraw/zinc/29/98/03/553299803.db2.gz	UGDDLOJVSZWQLM-UHFFFAOYSA-N	-1	3	371.422	2.019	20	30		FEEDHM
CCCCCCC[C@@]1(C)NC(=O)N([N-]C(=O)c2cccc(C(N)=O)c2)C1=O	ZINC000298266031	553405865	/nfs/dbraw/zinc/40/58/65/553405865.db2.gz	BQKVKZSPHXNQRB-LJQANCHMSA-N	-1	3	374.441	2.101	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]Cc2cccc(NC(N)=O)c2)c(Cl)c1	ZINC000503488269	561642715	/nfs/dbraw/zinc/64/27/15/561642715.db2.gz	MEBXTIDZUHQMAK-UHFFFAOYSA-N	-1	3	364.814	2.181	20	30		FEEDHM
CN(C(=O)C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C1CCCCC1	ZINC000503494265	561642840	/nfs/dbraw/zinc/64/28/40/561642840.db2.gz	YIQIIIJKHOTZBF-UHFFFAOYSA-N	-1	3	369.874	2.281	20	30		FEEDHM
CCS(=O)(=O)Nc1ccc(/N=C/c2c([O-])c(C)ncc2CO)cc1C	ZINC000298796765	553474186	/nfs/dbraw/zinc/47/41/86/553474186.db2.gz	WDYCVNPNABZODQ-DJKKODMXSA-N	-1	3	363.439	2.409	20	30		FEEDHM
COCC[C@@](C)(C#N)[N-]S(=O)(=O)c1ccc(Br)c(F)c1	ZINC000508068991	561750169	/nfs/dbraw/zinc/75/01/69/561750169.db2.gz	PRLVTTDUSCYEPW-LBPRGKRZSA-N	-1	3	365.224	2.185	20	30		FEEDHM
CC(C)(C)[C@H](O)C[N-]S(=O)(=O)c1cccc(Br)c1C#N	ZINC000330665865	554153600	/nfs/dbraw/zinc/15/36/00/554153600.db2.gz	HKXNBWRSWVYFPU-GFCCVEGCSA-N	-1	3	361.261	2.006	20	30		FEEDHM
COc1cc(C(=O)NCCN2CCN(C)C(C)(C)C2)cc(Cl)c1[O-]	ZINC000331286784	554241767	/nfs/dbraw/zinc/24/17/67/554241767.db2.gz	UKCYLMSTEJOEID-UHFFFAOYSA-N	-1	3	355.866	2.385	20	30		FEEDHM
CC(C)[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1nncn1C	ZINC000510446526	561834799	/nfs/dbraw/zinc/83/47/99/561834799.db2.gz	ICLRZUGHYYFSFZ-ZDUSSCGKSA-N	-1	3	353.835	2.016	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(-c2nc([C@@H]3CCCOC3)no2)ccc1F	ZINC000350845110	554817643	/nfs/dbraw/zinc/81/76/43/554817643.db2.gz	FZJCYNWVCJARBO-GFCCVEGCSA-N	-1	3	367.402	2.234	20	30		FEEDHM
COc1cccc(C(F)(F)C[N-]S(=O)(=O)c2cccc(C#N)c2)n1	ZINC000511367714	561867001	/nfs/dbraw/zinc/86/70/01/561867001.db2.gz	SOLURIZVYCAXPP-UHFFFAOYSA-N	-1	3	353.350	2.032	20	30		FEEDHM
N#Cc1ccc(CS(=O)(=O)[N-]C2(c3noc(C(F)F)n3)CCC2)cc1	ZINC000366328150	555812797	/nfs/dbraw/zinc/81/27/97/555812797.db2.gz	XQUSDEZTGRSQNX-UHFFFAOYSA-N	-1	3	368.365	2.378	20	30		FEEDHM
C#CCCCS(=O)(=O)[N-][C@H](c1nc[nH]n1)c1cccc(C(F)(F)F)c1	ZINC000367774774	556135708	/nfs/dbraw/zinc/13/57/08/556135708.db2.gz	HGMPFWKMMIVZEF-ZDUSSCGKSA-N	-1	3	372.372	2.246	20	30		FEEDHM
CCOC(=O)c1sc2[n-]c([C@H](C)N3CC(C)(C#N)C3)nc(=O)c2c1C	ZINC000514946590	561988127	/nfs/dbraw/zinc/98/81/27/561988127.db2.gz	HTPQWMZHFKRLEA-JTQLQIEISA-N	-1	3	360.439	2.376	20	30		FEEDHM
Cc1cc(S(=O)(=O)[N-]c2ccc(NC(=O)CN(C)C)cc2)ccc1C#N	ZINC000515286993	562003254	/nfs/dbraw/zinc/00/32/54/562003254.db2.gz	YRBRQJYYUFJTFU-UHFFFAOYSA-N	-1	3	372.450	2.168	20	30		FEEDHM
Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccnc(NC(=O)C4CC4)c3)nc1-2	ZINC000515318867	562005046	/nfs/dbraw/zinc/00/50/46/562005046.db2.gz	VDALEBSOAVPGLT-CYBMUJFWSA-N	-1	3	360.377	2.500	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCN(C(=O)C3CCCCC3)C2)s1	ZINC000369163498	556522532	/nfs/dbraw/zinc/52/25/32/556522532.db2.gz	CEQDZEXYWXTJLE-CYBMUJFWSA-N	-1	3	367.496	2.079	20	30		FEEDHM
C[C@H](C1CC1)n1[n-]cc/c1=N\C(=O)CN1CCC[C@@]2(CCCCO2)[C@@H]1C#N	ZINC000369304570	556568967	/nfs/dbraw/zinc/56/89/67/556568967.db2.gz	CYVNJXCYHQKAFI-SOGCJSHLSA-N	-1	3	371.485	2.142	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(c2cn[nH]c2)CC1	ZINC000370928150	557018773	/nfs/dbraw/zinc/01/87/73/557018773.db2.gz	MMOFOYUMNKUCIJ-UHFFFAOYSA-N	-1	3	353.426	2.338	20	30		FEEDHM
COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-]CC1(C#N)CC1	ZINC000518156423	562105393	/nfs/dbraw/zinc/10/53/93/562105393.db2.gz	JSFAYZQZQPZBNL-UHFFFAOYSA-N	-1	3	358.847	2.337	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)c1ccc(C#N)s1)c1cn(-c2ccccc2)nn1	ZINC000373742183	557749287	/nfs/dbraw/zinc/74/92/87/557749287.db2.gz	DGWQMAMUXJNWIQ-NSHDSACASA-N	-1	3	359.436	2.240	20	30		FEEDHM
Cc1nc([C@H]([N-]S(=O)(=O)c2ccc(C#N)s2)c2ccccc2)n[nH]1	ZINC000373819536	557766339	/nfs/dbraw/zinc/76/63/39/557766339.db2.gz	LQPCKJSRSYHEFM-CQSZACIVSA-N	-1	3	359.436	2.114	20	30		FEEDHM
COc1cc(C)cc2c1OCC[C@H]2[N-]S(=O)(=O)c1cccnc1C#N	ZINC000377315401	558313365	/nfs/dbraw/zinc/31/33/65/558313365.db2.gz	CSIVGLLWAANIFH-CYBMUJFWSA-N	-1	3	359.407	2.072	20	30		FEEDHM
CC(C)(C#N)CCS(=O)(=O)[N-][C@@H]1CCN(c2cccc(Cl)c2)C1=O	ZINC000377864306	558437058	/nfs/dbraw/zinc/43/70/58/558437058.db2.gz	MAXRDBSPISDFIP-CQSZACIVSA-N	-1	3	369.874	2.305	20	30		FEEDHM
N#Cc1ccc(CN2CCN(C(=O)c3cc([O-])ccc3Cl)CC2=O)cc1	ZINC000377898112	558444134	/nfs/dbraw/zinc/44/41/34/558444134.db2.gz	DTZQLPAZYHKXKE-UHFFFAOYSA-N	-1	3	369.808	2.402	20	30		FEEDHM
CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@]3(CCCCO3)[C@@H]2C#N)c1	ZINC000408267814	558662589	/nfs/dbraw/zinc/66/25/89/558662589.db2.gz	FTIDYLVLASCLPS-HKUYNNGSSA-N	-1	3	357.410	2.418	20	30		FEEDHM
N#Cc1cccnc1OC1CCC(NC(=O)c2ccc3n[n-]nc3c2)CC1	ZINC000527113899	562276954	/nfs/dbraw/zinc/27/69/54/562276954.db2.gz	KYLAOSJGJNGVAM-UHFFFAOYSA-N	-1	3	362.393	2.345	20	30		FEEDHM
CO[C@H]1CCC[C@H]1C[N-]S(=O)(=O)c1cc(Br)ccc1C#N	ZINC000416458824	559314453	/nfs/dbraw/zinc/31/44/53/559314453.db2.gz	QVRCVBZRHKSLLT-AAEUAGOBSA-N	-1	3	373.272	2.414	20	30		FEEDHM
CC(C)(C)c1nc(C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)n[nH]1	ZINC000416540561	559320697	/nfs/dbraw/zinc/32/06/97/559320697.db2.gz	HNIMDOOPPYEZSC-UHFFFAOYSA-N	-1	3	353.835	2.106	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)c1ccn(C)n1	ZINC000416555293	559321562	/nfs/dbraw/zinc/32/15/62/559321562.db2.gz	DWEJPOWNFGNMAQ-SECBINFHSA-N	-1	3	358.345	2.350	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCN(c3ccc(F)cc3)C2)s1	ZINC000416640314	559326922	/nfs/dbraw/zinc/32/69/22/559326922.db2.gz	DXKMKNJKYBXSGK-LBPRGKRZSA-N	-1	3	351.428	2.316	20	30		FEEDHM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H](CO)CC1CCCCC1	ZINC000416661502	559328411	/nfs/dbraw/zinc/32/84/11/559328411.db2.gz	OYLDXDCMDRFINK-CYBMUJFWSA-N	-1	3	367.427	2.076	20	30		FEEDHM
N#Cc1csc(CNC2(C(=O)[O-])CCN(Cc3ccccc3)CC2)n1	ZINC000417575536	559367323	/nfs/dbraw/zinc/36/73/23/559367323.db2.gz	GBEZMQQJNPIFAT-UHFFFAOYSA-N	-1	3	356.451	2.224	20	30		FEEDHM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C[C@@H]1CC12CCSCC2	ZINC000420707640	559499617	/nfs/dbraw/zinc/49/96/17/559499617.db2.gz	OCJXHNZIQDVDHI-NSHDSACASA-N	-1	3	367.452	2.278	20	30		FEEDHM
CNC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cnc(C)c(C#N)c2)c1	ZINC000427110569	559748033	/nfs/dbraw/zinc/74/80/33/559748033.db2.gz	LXQHKBFREUXLGD-UHFFFAOYSA-N	-1	3	364.814	2.076	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1Cc2cccc(O)c2C1	ZINC000430251697	559816153	/nfs/dbraw/zinc/81/61/53/559816153.db2.gz	DOHUXARFQGHWCN-AWEZNQCLSA-N	-1	3	351.406	2.198	20	30		FEEDHM
CC[C@H]([N-]S(=O)(=O)c1ccc(C#N)s1)c1nnc2n1CCCCC2	ZINC000435419900	559922427	/nfs/dbraw/zinc/92/24/27/559922427.db2.gz	AIFGFVASAAYWMF-LBPRGKRZSA-N	-1	3	365.484	2.367	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-][C@H](Cc2ccccc2)[C@@H](O)C(F)F)s1	ZINC000435437574	559922976	/nfs/dbraw/zinc/92/29/76/559922976.db2.gz	LIYZEVOBXZZGLY-TZMCWYRMSA-N	-1	3	372.418	2.135	20	30		FEEDHM
COC(=O)[C@H](C)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)s1)c1ccccc1	ZINC000435436080	559923035	/nfs/dbraw/zinc/92/30/35/559923035.db2.gz	DCABYIKIWYHIKD-IAQYHMDHSA-N	-1	3	364.448	2.448	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]CCc2nnc(-c3ccccc3)o2)s1	ZINC000435437582	559923106	/nfs/dbraw/zinc/92/31/06/559923106.db2.gz	LJOZQQLROYVYEW-UHFFFAOYSA-N	-1	3	360.420	2.191	20	30		FEEDHM
C[C@H](O)C[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)s1)c1ccccc1	ZINC000435445245	559923349	/nfs/dbraw/zinc/92/33/49/559923349.db2.gz	DLMONDRSYOMXFL-JSGCOSHPSA-N	-1	3	350.465	2.453	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]c2cccn(CC(F)(F)F)c2=O)s1	ZINC000435505393	559924384	/nfs/dbraw/zinc/92/43/84/559924384.db2.gz	OEKJGQWIKLXNGG-UHFFFAOYSA-N	-1	3	363.342	2.145	20	30		FEEDHM
C=C(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cc(F)ccc1OCCOC	ZINC000435588724	559925613	/nfs/dbraw/zinc/92/56/13/559925613.db2.gz	ODBYUKOJYZLAHW-DYVFJYSZSA-N	-1	3	373.446	2.110	20	30		FEEDHM
Cc1ccc(C(=O)NCCC(=O)NC2(c3cccc(C#N)c3)CC2)c([O-])c1	ZINC000436735694	559950415	/nfs/dbraw/zinc/95/04/15/559950415.db2.gz	MLPFEXZHHHMDHQ-UHFFFAOYSA-N	-1	3	363.417	2.498	20	30		FEEDHM
N#Cc1ccc(CNCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)o1	ZINC000441354868	560029215	/nfs/dbraw/zinc/02/92/15/560029215.db2.gz	IWHXYYPVOGNYPS-UHFFFAOYSA-N	-1	3	357.794	2.012	20	30		FEEDHM
COc1cccc(CC[N-]S(=O)(=O)c2cccc(Cl)c2C#N)n1	ZINC000443363066	560082137	/nfs/dbraw/zinc/08/21/37/560082137.db2.gz	UNZFXRYLZHUAPB-UHFFFAOYSA-N	-1	3	351.815	2.136	20	30		FEEDHM
C[C@@](O)(C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F)C(F)(F)F	ZINC000444185625	560104524	/nfs/dbraw/zinc/10/45/24/560104524.db2.gz	BZIVFOKTCROFLH-SECBINFHSA-N	-1	3	369.258	2.436	20	30		FEEDHM
C=CCCS(=O)(=O)[N-]Cc1nc(-c2cccc(Br)c2)no1	ZINC000447934377	560173797	/nfs/dbraw/zinc/17/37/97/560173797.db2.gz	XVHQGVDYKRBYSL-UHFFFAOYSA-N	-1	3	372.244	2.495	20	30		FEEDHM
C=CCOC[C@H](NC(=O)CCc1ccc2ccccc2c1[O-])C(=O)OC	ZINC000451383807	560303686	/nfs/dbraw/zinc/30/36/86/560303686.db2.gz	MEQNEGUXEYRJEF-KRWDZBQOSA-N	-1	3	357.406	2.338	20	30		FEEDHM
C=C[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)OC	ZINC000451861016	560333029	/nfs/dbraw/zinc/33/30/29/560333029.db2.gz	MUFXKZBPLMJIKV-NEPJUHHUSA-N	-1	3	367.448	2.310	20	30		FEEDHM
CO[C@@H]([C@H](C)[N-]S(=O)(=O)c1cccc(Br)c1C#N)C1CC1	ZINC000451973753	560341588	/nfs/dbraw/zinc/34/15/88/560341588.db2.gz	RCHKTPISGWLHBY-XPTSAGLGSA-N	-1	3	373.272	2.413	20	30		FEEDHM
N#Cc1c(Br)cccc1S(=O)(=O)[N-]CCC[C@H]1CCOC1	ZINC000452017105	560345699	/nfs/dbraw/zinc/34/56/99/560345699.db2.gz	MXRWLEQCCRKFEM-NSHDSACASA-N	-1	3	373.272	2.416	20	30		FEEDHM
C=C(C)CCNC(=O)C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1	ZINC000452720795	560372134	/nfs/dbraw/zinc/37/21/34/560372134.db2.gz	FNXYBYSOQJJOKR-UHFFFAOYSA-N	-1	3	351.255	2.354	20	30		FEEDHM
C=CCC1(CNC(=O)NCC[N-]S(=O)(=O)c2cccs2)CCCC1	ZINC000455480233	560483915	/nfs/dbraw/zinc/48/39/15/560483915.db2.gz	PPNIKGXTIDOWMN-UHFFFAOYSA-N	-1	3	371.528	2.462	20	30		FEEDHM
C[C@@H]1C[C@H](C)CN(CCC[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)C1	ZINC000467130302	560904242	/nfs/dbraw/zinc/90/42/42/560904242.db2.gz	GKDIXXZGZZZWTL-BETUJISGSA-N	-1	3	371.453	2.483	20	30		FEEDHM
COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)[N-][C@H](C#N)C(C)C	ZINC000468999962	560944382	/nfs/dbraw/zinc/94/43/82/560944382.db2.gz	QZCLSKIKVQHULR-LLVKDONJSA-N	-1	3	364.345	2.318	20	30		FEEDHM
N#Cc1ccc(OC2CCC(NC(=O)NCc3ncccc3[O-])CC2)nc1	ZINC000472123580	561018715	/nfs/dbraw/zinc/01/87/15/561018715.db2.gz	DSNIAMKOANUGDI-UHFFFAOYSA-N	-1	3	367.409	2.243	20	30		FEEDHM
C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NCc1ncccc1[O-]	ZINC000473036488	561040918	/nfs/dbraw/zinc/04/09/18/561040918.db2.gz	PBAOKZJORLGAEC-GFCCVEGCSA-N	-1	3	370.434	2.294	20	30		FEEDHM
C=CCCCCNC(=O)C1([N-]S(=O)(=O)c2c(C)noc2C)CCCC1	ZINC000474678886	561080348	/nfs/dbraw/zinc/08/03/48/561080348.db2.gz	PGDZSRXBWSJOAB-UHFFFAOYSA-N	-1	3	369.487	2.355	20	30		FEEDHM
CCn1cc(S(=O)(=O)[N-]C2(c3ccc(C#N)cc3)CCOCC2)nc1C	ZINC000528552516	562335757	/nfs/dbraw/zinc/33/57/57/562335757.db2.gz	MAGWNJOIUDJTTI-UHFFFAOYSA-N	-1	3	374.466	2.067	20	30		FEEDHM
Cc1sc([N-]C(=O)c2coc(S(=O)(=O)N(C)C)c2)c(C#N)c1C	ZINC000534461935	562534640	/nfs/dbraw/zinc/53/46/40/562534640.db2.gz	KSDIGAMKLLSXDM-UHFFFAOYSA-N	-1	3	353.425	2.332	20	30		FEEDHM
C[C@@]1(c2cccc(-c3noc(C4(C#N)CCCC4)n3)c2)NC(=O)[N-]C1=O	ZINC000545657149	562629599	/nfs/dbraw/zinc/62/95/99/562629599.db2.gz	UJOANOQDNQNSLU-KRWDZBQOSA-N	-1	3	351.366	2.127	20	30		FEEDHM
COC(=O)c1sc2[n-]c(CN(C)[C@H]3CCC[C@H]3C#N)nc(=O)c2c1C	ZINC000602977508	568036369	/nfs/dbraw/zinc/03/63/69/568036369.db2.gz	CDQUVTRVOQUXLR-QWRGUYRKSA-N	-1	3	360.439	2.204	20	30		FEEDHM
C[C@@H]1CN(C(=O)c2cc([O-])cc(Br)c2)C[C@H](C)N1CC#N	ZINC000603092950	568059901	/nfs/dbraw/zinc/05/99/01/568059901.db2.gz	NJGOFADUQIRULY-PHIMTYICSA-N	-1	3	352.232	2.213	20	30		FEEDHM
CC(C)[C@H](CO)C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000568677312	568120175	/nfs/dbraw/zinc/12/01/75/568120175.db2.gz	RRDSGVVDDJNSTL-NSHDSACASA-N	-1	3	350.362	2.120	20	30		FEEDHM
N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H]([C@H](CO)C1CC1)C1CC1	ZINC000569796903	568425675	/nfs/dbraw/zinc/42/56/75/568425675.db2.gz	VJRXEPWRMDIOFA-CZUORRHYSA-N	-1	3	354.859	2.287	20	30		FEEDHM
COC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)N(C)Cc1ccc(C#N)cc1	ZINC000736901576	598859600	/nfs/dbraw/zinc/85/96/00/598859600.db2.gz	MANOQAOIOJMLDR-KRWDZBQOSA-N	-1	3	362.393	2.084	20	30		FEEDHM
COC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N(C)Cc1ccc(C#N)cc1	ZINC000736901576	598859601	/nfs/dbraw/zinc/85/96/01/598859601.db2.gz	MANOQAOIOJMLDR-KRWDZBQOSA-N	-1	3	362.393	2.084	20	30		FEEDHM
C=CCCCCCN(C)C(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1	ZINC000735408232	598907269	/nfs/dbraw/zinc/90/72/69/598907269.db2.gz	IPRZPALKEYUJFZ-UHFFFAOYSA-N	-1	3	360.393	2.149	20	30		FEEDHM
C=CCCCCCN(C)C(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1	ZINC000735408232	598907271	/nfs/dbraw/zinc/90/72/71/598907271.db2.gz	IPRZPALKEYUJFZ-UHFFFAOYSA-N	-1	3	360.393	2.149	20	30		FEEDHM
COc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1OC	ZINC000737071653	598915140	/nfs/dbraw/zinc/91/51/40/598915140.db2.gz	KXTHAMYBVZNSNY-UHFFFAOYSA-N	-1	3	350.338	2.008	20	30		FEEDHM
COc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1OC	ZINC000737071653	598915141	/nfs/dbraw/zinc/91/51/41/598915141.db2.gz	KXTHAMYBVZNSNY-UHFFFAOYSA-N	-1	3	350.338	2.008	20	30		FEEDHM
Cc1c(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cnn1-c1ccccc1	ZINC000737214781	598915212	/nfs/dbraw/zinc/91/52/12/598915212.db2.gz	RBPRJOZABLLGSD-UHFFFAOYSA-N	-1	3	370.376	2.485	20	30		FEEDHM
Cc1c(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cnn1-c1ccccc1	ZINC000737214781	598915213	/nfs/dbraw/zinc/91/52/13/598915213.db2.gz	RBPRJOZABLLGSD-UHFFFAOYSA-N	-1	3	370.376	2.485	20	30		FEEDHM
COc1cc(OC)c(C=NNCc2ccc(-c3nnn[n-]3)cc2)c(OC)c1	ZINC000821724137	607253815	/nfs/dbraw/zinc/25/38/15/607253815.db2.gz	QZGALCSJDLMYCO-UHFFFAOYSA-N	-1	3	368.397	2.016	20	30		FEEDHM
COc1cc(OC)c(C=NNCc2ccc(-c3nn[n-]n3)cc2)c(OC)c1	ZINC000821724137	607253816	/nfs/dbraw/zinc/25/38/16/607253816.db2.gz	QZGALCSJDLMYCO-UHFFFAOYSA-N	-1	3	368.397	2.016	20	30		FEEDHM
C[C@](C#N)(NC(=O)CNc1ccc(-c2nn[n-]n2)cc1)C1CCCCC1	ZINC000735504993	598970090	/nfs/dbraw/zinc/97/00/90/598970090.db2.gz	QECPLWCQHKUQLB-GOSISDBHSA-N	-1	3	353.430	2.257	20	30		FEEDHM
CC(=O)N(c1nc(C=NNc2cccc(-c3nnn[n-]3)c2)cs1)C1CC1	ZINC000735460517	598976881	/nfs/dbraw/zinc/97/68/81/598976881.db2.gz	IGNHKXFGBMURNQ-UHFFFAOYSA-N	-1	3	368.426	2.285	20	30		FEEDHM
CC(=O)N(c1nc(C=NNc2cccc(-c3nn[n-]n3)c2)cs1)C1CC1	ZINC000735460517	598976883	/nfs/dbraw/zinc/97/68/83/598976883.db2.gz	IGNHKXFGBMURNQ-UHFFFAOYSA-N	-1	3	368.426	2.285	20	30		FEEDHM
N#Cc1cc(NCCOc2ccc(-c3nn[n-]n3)cc2)c2ccccc2n1	ZINC000822823098	599048994	/nfs/dbraw/zinc/04/89/94/599048994.db2.gz	LAXCMSYIKYWDSO-UHFFFAOYSA-N	-1	3	357.377	2.199	20	30		FEEDHM
C=C(C)COc1cccc(N[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)c1	ZINC000735402302	599096243	/nfs/dbraw/zinc/09/62/43/599096243.db2.gz	QBWMPDRMWZUGLK-KRWDZBQOSA-N	-1	3	364.409	2.460	20	30		FEEDHM
C=C(C)COc1cccc(N[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)c1	ZINC000735402302	599096246	/nfs/dbraw/zinc/09/62/46/599096246.db2.gz	QBWMPDRMWZUGLK-KRWDZBQOSA-N	-1	3	364.409	2.460	20	30		FEEDHM
COCCN(C(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccc(C#N)cc1	ZINC000736989144	599116572	/nfs/dbraw/zinc/11/65/72/599116572.db2.gz	RQUBJGRADLYWFS-FLIBITNWSA-N	-1	3	374.404	2.431	20	30		FEEDHM
COCCN(C(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccc(C#N)cc1	ZINC000736989144	599116573	/nfs/dbraw/zinc/11/65/73/599116573.db2.gz	RQUBJGRADLYWFS-FLIBITNWSA-N	-1	3	374.404	2.431	20	30		FEEDHM
C#CCCCNC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1	ZINC000819693351	599191583	/nfs/dbraw/zinc/19/15/83/599191583.db2.gz	QRMQRDSIWCZDTQ-UHFFFAOYSA-N	-1	3	351.366	2.182	20	30		FEEDHM
C#CCCCNC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1	ZINC000819693351	599191586	/nfs/dbraw/zinc/19/15/86/599191586.db2.gz	QRMQRDSIWCZDTQ-UHFFFAOYSA-N	-1	3	351.366	2.182	20	30		FEEDHM
N#Cc1ccc(NC(=O)[C@H]2C[C@@]23CCOc2ccccc23)cc1-c1nnn[n-]1	ZINC000737716477	599192752	/nfs/dbraw/zinc/19/27/52/599192752.db2.gz	QZZVDHLGIQUWLT-OXQOHEQNSA-N	-1	3	372.388	2.417	20	30		FEEDHM
N#Cc1ccc(NC(=O)[C@H]2C[C@@]23CCOc2ccccc23)cc1-c1nn[n-]n1	ZINC000737716477	599192754	/nfs/dbraw/zinc/19/27/54/599192754.db2.gz	QZZVDHLGIQUWLT-OXQOHEQNSA-N	-1	3	372.388	2.417	20	30		FEEDHM
Cc1nc2ccccc2n1CC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1	ZINC000737490463	599198145	/nfs/dbraw/zinc/19/81/45/599198145.db2.gz	VEFXAGBPOLSUBD-UHFFFAOYSA-N	-1	3	358.365	2.035	20	30		FEEDHM
Cc1nc2ccccc2n1CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1	ZINC000737490463	599198147	/nfs/dbraw/zinc/19/81/47/599198147.db2.gz	VEFXAGBPOLSUBD-UHFFFAOYSA-N	-1	3	358.365	2.035	20	30		FEEDHM
N#Cc1ccccc1N1CCN(Cc2cc(-c3nn[n-]n3)ccc2F)CC1	ZINC000737728013	598254058	/nfs/dbraw/zinc/25/40/58/598254058.db2.gz	WMAUHRIUIWWUII-UHFFFAOYSA-N	-1	3	363.400	2.200	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc(N)nc(Cl)c1	ZINC000735420001	598367494	/nfs/dbraw/zinc/36/74/94/598367494.db2.gz	LQVZYXQSWKLGOQ-UHFFFAOYSA-N	-1	3	369.816	2.326	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc(N)nc(Cl)c1	ZINC000735420001	598367496	/nfs/dbraw/zinc/36/74/96/598367496.db2.gz	LQVZYXQSWKLGOQ-UHFFFAOYSA-N	-1	3	369.816	2.326	20	30		FEEDHM
N#Cc1ccc(N2CCC(Nc3ccc(-c4nn[n-]n4)cc3F)CC2)nc1	ZINC000737717229	598459583	/nfs/dbraw/zinc/45/95/83/598459583.db2.gz	BHADKLDMVZPEMF-UHFFFAOYSA-N	-1	3	364.388	2.353	20	30		FEEDHM
C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccc(F)c(C#N)c1	ZINC000736181860	598585829	/nfs/dbraw/zinc/58/58/29/598585829.db2.gz	BPZOLSZCHWTHDD-SNVBAGLBSA-N	-1	3	352.329	2.283	20	30		FEEDHM
C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccc(F)c(C#N)c1	ZINC000736181860	598585831	/nfs/dbraw/zinc/58/58/31/598585831.db2.gz	BPZOLSZCHWTHDD-SNVBAGLBSA-N	-1	3	352.329	2.283	20	30		FEEDHM
CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)S(=O)(=O)CCCCC#N	ZINC000735874960	598594623	/nfs/dbraw/zinc/59/46/23/598594623.db2.gz	XAWACIRWLUSMEN-UHFFFAOYSA-N	-1	3	362.459	2.101	20	30		FEEDHM
CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)S(=O)(=O)CCCCC#N	ZINC000735874960	598594625	/nfs/dbraw/zinc/59/46/25/598594625.db2.gz	XAWACIRWLUSMEN-UHFFFAOYSA-N	-1	3	362.459	2.101	20	30		FEEDHM
N#Cc1cc(F)ccc1N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1	ZINC000737706025	598633626	/nfs/dbraw/zinc/63/36/26/598633626.db2.gz	UXXFMUOMGSOLRD-UHFFFAOYSA-N	-1	3	367.363	2.343	20	30		FEEDHM
N#Cc1cc(F)ccc1N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1	ZINC000737706025	598633628	/nfs/dbraw/zinc/63/36/28/598633628.db2.gz	UXXFMUOMGSOLRD-UHFFFAOYSA-N	-1	3	367.363	2.343	20	30		FEEDHM
O=C(C=NOCc1ccc(F)cc1-c1nnn[n-]1)Nc1cccc(F)c1	ZINC000737810517	598675394	/nfs/dbraw/zinc/67/53/94/598675394.db2.gz	XQYFFBRERXCGKY-UHFFFAOYSA-N	-1	3	358.308	2.286	20	30		FEEDHM
O=C(C=NOCc1ccc(F)cc1-c1nn[n-]n1)Nc1cccc(F)c1	ZINC000737810517	598675395	/nfs/dbraw/zinc/67/53/95/598675395.db2.gz	XQYFFBRERXCGKY-UHFFFAOYSA-N	-1	3	358.308	2.286	20	30		FEEDHM
CC(C)[C@](C)(C#N)NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1	ZINC000735690115	598685959	/nfs/dbraw/zinc/68/59/59/598685959.db2.gz	HCRDHMKLTXWZIC-SFHVURJKSA-N	-1	3	356.430	2.470	20	30		FEEDHM
CC(C)[C@](C)(C#N)NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1	ZINC000735690115	598685961	/nfs/dbraw/zinc/68/59/61/598685961.db2.gz	HCRDHMKLTXWZIC-SFHVURJKSA-N	-1	3	356.430	2.470	20	30		FEEDHM
C[C@H](CC#N)N(C)C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1	ZINC000735963593	598688079	/nfs/dbraw/zinc/68/80/79/598688079.db2.gz	IAGYDUXATGGNMQ-GFCCVEGCSA-N	-1	3	363.381	2.428	20	30		FEEDHM
C[C@H](CC#N)N(C)C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1	ZINC000735963593	598688080	/nfs/dbraw/zinc/68/80/80/598688080.db2.gz	IAGYDUXATGGNMQ-GFCCVEGCSA-N	-1	3	363.381	2.428	20	30		FEEDHM
NC(=NOCc1ccc(-c2nnn[n-]2)cc1F)c1nccc2ccccc21	ZINC000737731438	598819636	/nfs/dbraw/zinc/81/96/36/598819636.db2.gz	SCORUIVWHPBAIC-UHFFFAOYSA-N	-1	3	363.356	2.391	20	30		FEEDHM
NC(=NOCc1ccc(-c2nn[n-]n2)cc1F)c1nccc2ccccc21	ZINC000737731438	598819637	/nfs/dbraw/zinc/81/96/37/598819637.db2.gz	SCORUIVWHPBAIC-UHFFFAOYSA-N	-1	3	363.356	2.391	20	30		FEEDHM
COC(=O)[C@@H](N[C@H](C)c1cccc(C#N)c1)c1ccc(-c2nnn[n-]2)cc1	ZINC000821640612	599391564	/nfs/dbraw/zinc/39/15/64/599391564.db2.gz	LNSCYHUXXSFOPQ-PXAZEXFGSA-N	-1	3	362.393	2.303	20	30		FEEDHM
COC(=O)[C@@H](N[C@H](C)c1cccc(C#N)c1)c1ccc(-c2nn[n-]n2)cc1	ZINC000821640612	599391566	/nfs/dbraw/zinc/39/15/66/599391566.db2.gz	LNSCYHUXXSFOPQ-PXAZEXFGSA-N	-1	3	362.393	2.303	20	30		FEEDHM
COc1ccc(-c2nnn[n-]2)cc1CSc1nc(C)nc(C)c1C#N	ZINC000821751774	607377606	/nfs/dbraw/zinc/37/76/06/607377606.db2.gz	BZTVYGNQFCSMHN-UHFFFAOYSA-N	-1	3	353.411	2.446	20	30		FEEDHM
COc1ccc(-c2nn[n-]n2)cc1CSc1nc(C)nc(C)c1C#N	ZINC000821751774	607377608	/nfs/dbraw/zinc/37/76/08/607377608.db2.gz	BZTVYGNQFCSMHN-UHFFFAOYSA-N	-1	3	353.411	2.446	20	30		FEEDHM
C[C@H](Oc1ccccc1C#N)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1	ZINC000820548724	599509479	/nfs/dbraw/zinc/50/94/79/599509479.db2.gz	FVQZMWQAGMHIHL-STQMWFEESA-N	-1	3	362.393	2.383	20	30		FEEDHM
C[C@H](Oc1ccccc1C#N)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1	ZINC000820548724	599509482	/nfs/dbraw/zinc/50/94/82/599509482.db2.gz	FVQZMWQAGMHIHL-STQMWFEESA-N	-1	3	362.393	2.383	20	30		FEEDHM
C#CCOc1ccccc1CNc1c(-c2nnn[n-]2)cnc2ccccc21	ZINC000819710022	599558792	/nfs/dbraw/zinc/55/87/92/599558792.db2.gz	VZEXFWFYIGKVJS-UHFFFAOYSA-N	-1	3	356.389	2.461	20	30		FEEDHM
C#CCOc1ccccc1CNc1c(-c2nn[n-]n2)cnc2ccccc21	ZINC000819710022	599558794	/nfs/dbraw/zinc/55/87/94/599558794.db2.gz	VZEXFWFYIGKVJS-UHFFFAOYSA-N	-1	3	356.389	2.461	20	30		FEEDHM
N#CC1(NC(=O)c2cccc(COc3ccc(-c4nn[n-]n4)cc3)c2)CC1	ZINC000737680159	599570696	/nfs/dbraw/zinc/57/06/96/599570696.db2.gz	WYFMUBIEWPXPFS-UHFFFAOYSA-N	-1	3	360.377	2.232	20	30		FEEDHM
C[C@H](C(=O)[O-])[C@@H](NCCS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1	ZINC000826051981	601652143	/nfs/dbraw/zinc/65/21/43/601652143.db2.gz	FYYOZADEPNOOGC-KBXCAEBGSA-N	-1	3	372.446	2.384	20	30		FEEDHM
C=CCN1CCC(NC(=O)c2cccn2C2CCN(C(=O)[O-])CC2)CC1	ZINC000738490805	602699741	/nfs/dbraw/zinc/69/97/41/602699741.db2.gz	BOHQVSBHVWGIJD-UHFFFAOYSA-N	-1	3	360.458	2.183	20	30		FEEDHM
Cc1nnc(-c2cccc(C#N)c2)n1CN1CCC(CN(C)C(=O)[O-])CC1	ZINC000740253533	603081285	/nfs/dbraw/zinc/08/12/85/603081285.db2.gz	SBQLBMCPEPKERH-UHFFFAOYSA-N	-1	3	368.441	2.405	20	30		FEEDHM
CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCC[C@@H](NC(=O)[O-])C1	ZINC000739613135	603204430	/nfs/dbraw/zinc/20/44/30/603204430.db2.gz	NYRVFWPEPJXOHA-QZTJIDSGSA-N	-1	3	372.469	2.275	20	30		FEEDHM
C=CC[C@H](NS(=O)(=O)c1cccc(C)c1-c1nnn[n-]1)c1ccncc1	ZINC000823888715	607616217	/nfs/dbraw/zinc/61/62/17/607616217.db2.gz	UPVJGDWGQAASEY-AWEZNQCLSA-N	-1	3	370.438	2.166	20	30		FEEDHM
C=CC[C@H](NS(=O)(=O)c1cccc(C)c1-c1nn[n-]n1)c1ccncc1	ZINC000823888715	607616219	/nfs/dbraw/zinc/61/62/19/607616219.db2.gz	UPVJGDWGQAASEY-AWEZNQCLSA-N	-1	3	370.438	2.166	20	30		FEEDHM
Cc1nc(C[N-]S(=O)(=O)c2ccc(C#N)c(F)c2)nc2ccccc12	ZINC000559031331	674525016	/nfs/dbraw/zinc/52/50/16/674525016.db2.gz	URSOTKHNNBHUJS-UHFFFAOYSA-N	-1	3	356.382	2.428	20	30		FEEDHM
C=C(C)CN1CCC(NC(=O)N(C)CC[C@H](NC(=O)[O-])C(C)C)CC1	ZINC000823480621	603649111	/nfs/dbraw/zinc/64/91/11/603649111.db2.gz	JDCFSJNKZNDPKY-INIZCTEOSA-N	-1	3	354.495	2.351	20	30		FEEDHM
C=CCNc1nnc(SCC(=O)c2cccc(-c3nnn[n-]3)c2)s1	ZINC000823925636	607653689	/nfs/dbraw/zinc/65/36/89/607653689.db2.gz	NCWPUBIJSCEMLF-UHFFFAOYSA-N	-1	3	359.440	2.291	20	30		FEEDHM
C=CCNc1nnc(SCC(=O)c2cccc(-c3nn[n-]n3)c2)s1	ZINC000823925636	607653691	/nfs/dbraw/zinc/65/36/91/607653691.db2.gz	NCWPUBIJSCEMLF-UHFFFAOYSA-N	-1	3	359.440	2.291	20	30		FEEDHM
C=C(C)CN1CCC(NC(=O)N2CCC[C@H]([C@H](C)NC(=O)[O-])C2)CC1	ZINC000823481031	604141874	/nfs/dbraw/zinc/14/18/74/604141874.db2.gz	VWJMGOAPYVCODL-GJZGRUSLSA-N	-1	3	352.479	2.105	20	30		FEEDHM
N#CCC[C@H](NS(=O)(=O)c1ccccc1-c1nnn[n-]1)c1ccccc1	ZINC000826381180	607680292	/nfs/dbraw/zinc/68/02/92/607680292.db2.gz	ANARPXDJXINRJQ-HNNXBMFYSA-N	-1	3	368.422	2.190	20	30		FEEDHM
N#CCC[C@H](NS(=O)(=O)c1ccccc1-c1nn[n-]n1)c1ccccc1	ZINC000826381180	607680294	/nfs/dbraw/zinc/68/02/94/607680294.db2.gz	ANARPXDJXINRJQ-HNNXBMFYSA-N	-1	3	368.422	2.190	20	30		FEEDHM
N#C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1cccc(C(F)(F)F)c1	ZINC000826379813	607735480	/nfs/dbraw/zinc/73/54/80/607735480.db2.gz	CLQGWSVHXCXLRZ-GFCCVEGCSA-N	-1	3	361.287	2.208	20	30		FEEDHM
N#C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1cccc(C(F)(F)F)c1	ZINC000826379813	607735481	/nfs/dbraw/zinc/73/54/81/607735481.db2.gz	CLQGWSVHXCXLRZ-GFCCVEGCSA-N	-1	3	361.287	2.208	20	30		FEEDHM
Cn1cc(CN2CCC[C@@H](CNC(=O)[O-])C2)c(-c2ccc(C#N)cc2)n1	ZINC000833949713	605567040	/nfs/dbraw/zinc/56/70/40/605567040.db2.gz	VRMUNJJSBGDZOS-HNNXBMFYSA-N	-1	3	353.426	2.438	20	30		FEEDHM
C=CCOc1ccc(CN2CC[C@@H](C(=O)OC)C[C@@H]2C(=O)[O-])cc1OC	ZINC000833377692	605727332	/nfs/dbraw/zinc/72/73/32/605727332.db2.gz	JELLBBRTKBMSGF-HUUCEWRRSA-N	-1	3	363.410	2.098	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2ccc(Br)nc2)cc1-c1nnn[n-]1	ZINC000822830101	606103333	/nfs/dbraw/zinc/10/33/33/606103333.db2.gz	UWCXMXSUWHORKC-UHFFFAOYSA-N	-1	3	370.170	2.148	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2ccc(Br)nc2)cc1-c1nn[n-]n1	ZINC000822830101	606103334	/nfs/dbraw/zinc/10/33/34/606103334.db2.gz	UWCXMXSUWHORKC-UHFFFAOYSA-N	-1	3	370.170	2.148	20	30		FEEDHM
O=C(C#Cc1ccccc1)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1	ZINC000822911987	606152990	/nfs/dbraw/zinc/15/29/90/606152990.db2.gz	HOQSQEBQVHVOFY-UHFFFAOYSA-N	-1	3	373.416	2.288	20	30		FEEDHM
C#CC[C@H](OC(=O)CCCOc1ccc(-c2nnn[n-]2)cc1OC)C1CC1	ZINC000819688362	606181302	/nfs/dbraw/zinc/18/13/02/606181302.db2.gz	HMFWXOYHRWCMRM-HNNXBMFYSA-N	-1	3	370.409	2.379	20	30		FEEDHM
C#CC[C@H](OC(=O)CCCOc1ccc(-c2nn[n-]n2)cc1OC)C1CC1	ZINC000819688362	606181303	/nfs/dbraw/zinc/18/13/03/606181303.db2.gz	HMFWXOYHRWCMRM-HNNXBMFYSA-N	-1	3	370.409	2.379	20	30		FEEDHM
N#Cc1cc(NC(=O)c2occc2Br)ccc1-c1nnn[n-]1	ZINC000822822790	606255325	/nfs/dbraw/zinc/25/53/25/606255325.db2.gz	FJIULQBMVNHWGL-UHFFFAOYSA-N	-1	3	359.143	2.346	20	30		FEEDHM
N#Cc1cc(NC(=O)c2occc2Br)ccc1-c1nn[n-]n1	ZINC000822822790	606255327	/nfs/dbraw/zinc/25/53/27/606255327.db2.gz	FJIULQBMVNHWGL-UHFFFAOYSA-N	-1	3	359.143	2.346	20	30		FEEDHM
C#CCN(CC#C)C(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1	ZINC000819698025	606458999	/nfs/dbraw/zinc/45/89/99/606458999.db2.gz	QDBFNCDVTPBQGV-UHFFFAOYSA-N	-1	3	371.400	2.154	20	30		FEEDHM
N#Cc1cc(NC(=O)c2ccc(-n3cccc3)nc2)ccc1-c1nnn[n-]1	ZINC000822823600	606604379	/nfs/dbraw/zinc/60/43/79/606604379.db2.gz	TZIZVWOWNGFQRZ-UHFFFAOYSA-N	-1	3	356.349	2.176	20	30		FEEDHM
N#Cc1cc(NC(=O)c2ccc(-n3cccc3)nc2)ccc1-c1nn[n-]n1	ZINC000822823600	606604381	/nfs/dbraw/zinc/60/43/81/606604381.db2.gz	TZIZVWOWNGFQRZ-UHFFFAOYSA-N	-1	3	356.349	2.176	20	30		FEEDHM
FC(F)(F)c1cc(NN=Cc2cn3cccnc3n2)ccc1-c1nnn[n-]1	ZINC000822723442	606861794	/nfs/dbraw/zinc/86/17/94/606861794.db2.gz	FFCPIGWQZYFEFH-UHFFFAOYSA-N	-1	3	373.302	2.374	20	30		FEEDHM
FC(F)(F)c1cc(NN=Cc2cn3cccnc3n2)ccc1-c1nn[n-]n1	ZINC000822723442	606861796	/nfs/dbraw/zinc/86/17/96/606861796.db2.gz	FFCPIGWQZYFEFH-UHFFFAOYSA-N	-1	3	373.302	2.374	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cc(C)c(C)nn1	ZINC000819745588	606907242	/nfs/dbraw/zinc/90/72/42/606907242.db2.gz	KZHMQUGDNIDVSW-UHFFFAOYSA-N	-1	3	364.413	2.494	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cc(C)c(C)nn1	ZINC000819745588	606907245	/nfs/dbraw/zinc/90/72/45/606907245.db2.gz	KZHMQUGDNIDVSW-UHFFFAOYSA-N	-1	3	364.413	2.494	20	30		FEEDHM
CN(C(=O)COc1cccc(-c2nnn[n-]2)c1)c1cc(Cl)ccc1C#N	ZINC000821570802	606959055	/nfs/dbraw/zinc/95/90/55/606959055.db2.gz	LVVJLZFDCGINFC-UHFFFAOYSA-N	-1	3	368.784	2.434	20	30		FEEDHM
CN(C(=O)COc1cccc(-c2nn[n-]n2)c1)c1cc(Cl)ccc1C#N	ZINC000821570802	606959056	/nfs/dbraw/zinc/95/90/56/606959056.db2.gz	LVVJLZFDCGINFC-UHFFFAOYSA-N	-1	3	368.784	2.434	20	30		FEEDHM
N#Cc1ccc(NCC(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)cc1	ZINC000822829689	606997367	/nfs/dbraw/zinc/99/73/67/606997367.db2.gz	DTGPWUWONWBGOK-UHFFFAOYSA-N	-1	3	352.329	2.033	20	30		FEEDHM
N#Cc1ccc(NCC(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)cc1	ZINC000822829689	606997368	/nfs/dbraw/zinc/99/73/68/606997368.db2.gz	DTGPWUWONWBGOK-UHFFFAOYSA-N	-1	3	352.329	2.033	20	30		FEEDHM
N#Cc1cc(NC(=O)c2ccnc(Br)c2)ccc1-c1nnn[n-]1	ZINC000822822680	607019215	/nfs/dbraw/zinc/01/92/15/607019215.db2.gz	BIWOFUHTAVPXQY-UHFFFAOYSA-N	-1	3	370.170	2.148	20	30		FEEDHM
N#Cc1cc(NC(=O)c2ccnc(Br)c2)ccc1-c1nn[n-]n1	ZINC000822822680	607019217	/nfs/dbraw/zinc/01/92/17/607019217.db2.gz	BIWOFUHTAVPXQY-UHFFFAOYSA-N	-1	3	370.170	2.148	20	30		FEEDHM
C[C@H](Oc1ccc(C#N)cc1)C(=O)OCc1cc(F)ccc1-c1nnn[n-]1	ZINC000820534214	607075068	/nfs/dbraw/zinc/07/50/68/607075068.db2.gz	KCMXRBOIRZRLQF-NSHDSACASA-N	-1	3	367.340	2.388	20	30		FEEDHM
C[C@H](Oc1ccc(C#N)cc1)C(=O)OCc1cc(F)ccc1-c1nn[n-]n1	ZINC000820534214	607075070	/nfs/dbraw/zinc/07/50/70/607075070.db2.gz	KCMXRBOIRZRLQF-NSHDSACASA-N	-1	3	367.340	2.388	20	30		FEEDHM
COC(=O)c1ccc(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)cc1	ZINC000821669051	607122262	/nfs/dbraw/zinc/12/22/62/607122262.db2.gz	WDBJXORMURDLHU-FPLPWBNLSA-N	-1	3	374.360	2.197	20	30		FEEDHM
COC(=O)c1ccc(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)cc1	ZINC000821669051	607122263	/nfs/dbraw/zinc/12/22/63/607122263.db2.gz	WDBJXORMURDLHU-FPLPWBNLSA-N	-1	3	374.360	2.197	20	30		FEEDHM
C=C[C@H](CC(=O)Nc1nc2n(c1-c1nnn[n-]1)CCS2)c1ccccc1	ZINC000823883686	608004627	/nfs/dbraw/zinc/00/46/27/608004627.db2.gz	XMOSCMUZJBKMJU-LLVKDONJSA-N	-1	3	367.438	2.467	20	30		FEEDHM
C=C[C@H](CC(=O)Nc1nc2n(c1-c1nn[n-]n1)CCS2)c1ccccc1	ZINC000823883686	608004628	/nfs/dbraw/zinc/00/46/28/608004628.db2.gz	XMOSCMUZJBKMJU-LLVKDONJSA-N	-1	3	367.438	2.467	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2cccc([C@@H]3CCOC3)c2)cc1-c1nnn[n-]1	ZINC000826385427	608064912	/nfs/dbraw/zinc/06/49/12/608064912.db2.gz	MAPNHKPVWRXELC-OAHLLOKOSA-N	-1	3	360.377	2.495	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2cccc([C@@H]3CCOC3)c2)cc1-c1nn[n-]n1	ZINC000826385427	608064913	/nfs/dbraw/zinc/06/49/13/608064913.db2.gz	MAPNHKPVWRXELC-OAHLLOKOSA-N	-1	3	360.377	2.495	20	30		FEEDHM
N#Cc1csc(C(=O)N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)c1	ZINC000826387656	608080467	/nfs/dbraw/zinc/08/04/67/608080467.db2.gz	JDBKXJDJIQEGNS-AWEZNQCLSA-N	-1	3	366.406	2.014	20	30		FEEDHM
N#Cc1csc(C(=O)N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)c1	ZINC000826387656	608080468	/nfs/dbraw/zinc/08/04/68/608080468.db2.gz	JDBKXJDJIQEGNS-AWEZNQCLSA-N	-1	3	366.406	2.014	20	30		FEEDHM
C=C(C)[C@H](CC(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1)OCC	ZINC000823873980	608086498	/nfs/dbraw/zinc/08/64/98/608086498.db2.gz	QTDAFHOSCMPMMH-IRXDYDNUSA-N	-1	3	371.441	2.138	20	30		FEEDHM
C=C(C)[C@H](CC(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1)OCC	ZINC000823873980	608086499	/nfs/dbraw/zinc/08/64/99/608086499.db2.gz	QTDAFHOSCMPMMH-IRXDYDNUSA-N	-1	3	371.441	2.138	20	30		FEEDHM
COc1ccccc1SCC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1	ZINC000826221162	608158656	/nfs/dbraw/zinc/15/86/56/608158656.db2.gz	RVAHUIDLFNYORD-UHFFFAOYSA-N	-1	3	366.406	2.478	20	30		FEEDHM
COc1ccccc1SCC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1	ZINC000826221162	608158657	/nfs/dbraw/zinc/15/86/57/608158657.db2.gz	RVAHUIDLFNYORD-UHFFFAOYSA-N	-1	3	366.406	2.478	20	30		FEEDHM
N#C[C@@H](COC(=O)COc1cccc(-c2nnn[n-]2)c1)Cc1cccs1	ZINC000826378858	608276229	/nfs/dbraw/zinc/27/62/29/608276229.db2.gz	BYWLEQNXMIRFEO-LBPRGKRZSA-N	-1	3	369.406	2.233	20	30		FEEDHM
N#C[C@@H](COC(=O)COc1cccc(-c2nn[n-]n2)c1)Cc1cccs1	ZINC000826378858	608276230	/nfs/dbraw/zinc/27/62/30/608276230.db2.gz	BYWLEQNXMIRFEO-LBPRGKRZSA-N	-1	3	369.406	2.233	20	30		FEEDHM
C=C(C)COCCNC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1	ZINC000823877733	608422271	/nfs/dbraw/zinc/42/22/71/608422271.db2.gz	DQIKITJESPDWQW-UHFFFAOYSA-N	-1	3	368.441	2.258	20	30		FEEDHM
C=C(C)COCCNC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1	ZINC000823877733	608422273	/nfs/dbraw/zinc/42/22/73/608422273.db2.gz	DQIKITJESPDWQW-UHFFFAOYSA-N	-1	3	368.441	2.258	20	30		FEEDHM
C=CCOc1cccnc1C(=O)OCCOc1ccccc1-c1nnn[n-]1	ZINC000823931600	608457081	/nfs/dbraw/zinc/45/70/81/608457081.db2.gz	ALALGXQVTKRZHT-UHFFFAOYSA-N	-1	3	367.365	2.062	20	30		FEEDHM
C=CCOc1cccnc1C(=O)OCCOc1ccccc1-c1nn[n-]n1	ZINC000823931600	608457083	/nfs/dbraw/zinc/45/70/83/608457083.db2.gz	ALALGXQVTKRZHT-UHFFFAOYSA-N	-1	3	367.365	2.062	20	30		FEEDHM
N#C[C@H]1CN(Cc2cc(-c3nnn[n-]3)cs2)CCN1Cc1ccccc1	ZINC000826380712	608496152	/nfs/dbraw/zinc/49/61/52/608496152.db2.gz	KDJDHCYXZGRPCY-INIZCTEOSA-N	-1	3	365.466	2.138	20	30		FEEDHM
N#C[C@H]1CN(Cc2cc(-c3nn[n-]n3)cs2)CCN1Cc1ccccc1	ZINC000826380712	608496154	/nfs/dbraw/zinc/49/61/54/608496154.db2.gz	KDJDHCYXZGRPCY-INIZCTEOSA-N	-1	3	365.466	2.138	20	30		FEEDHM
Cc1nc(N(C)C)sc1C=[NH+][N-]c1cc(-c2nnn[n-]2)cc(Cl)n1	ZINC000826327097	608537400	/nfs/dbraw/zinc/53/74/00/608537400.db2.gz	RWQJUFXOCLYAJG-UHFFFAOYSA-N	-1	3	363.838	2.192	20	30		FEEDHM
Cc1nc(N(C)C)sc1C=[NH+][N-]c1cc(-c2nn[n-]n2)cc(Cl)n1	ZINC000826327097	608537401	/nfs/dbraw/zinc/53/74/01/608537401.db2.gz	RWQJUFXOCLYAJG-UHFFFAOYSA-N	-1	3	363.838	2.192	20	30		FEEDHM
N#Cc1ccc(NC2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)cn1	ZINC000826385429	608558427	/nfs/dbraw/zinc/55/84/27/608558427.db2.gz	MDVFYCVXGAMBQD-UHFFFAOYSA-N	-1	3	362.397	2.330	20	30		FEEDHM
N#Cc1ccc(NC2CCC(Oc3ccc(-c4nn[n-]n4)cn3)CC2)cn1	ZINC000826385429	608558429	/nfs/dbraw/zinc/55/84/29/608558429.db2.gz	MDVFYCVXGAMBQD-UHFFFAOYSA-N	-1	3	362.397	2.330	20	30		FEEDHM
C#CCCCCCC(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1	ZINC000823840709	609140332	/nfs/dbraw/zinc/14/03/32/609140332.db2.gz	BZLIEHWZQNRXFK-UHFFFAOYSA-N	-1	3	366.469	2.095	20	30		FEEDHM
COc1ccc(-c2nnn[n-]2)cc1COC(=O)Cc1ccccc1CC#N	ZINC000826184319	609243767	/nfs/dbraw/zinc/24/37/67/609243767.db2.gz	SLDKAZOMXMNVRE-UHFFFAOYSA-N	-1	3	363.377	2.227	20	30		FEEDHM
COc1ccc(-c2nn[n-]n2)cc1COC(=O)Cc1ccccc1CC#N	ZINC000826184319	609243769	/nfs/dbraw/zinc/24/37/69/609243769.db2.gz	SLDKAZOMXMNVRE-UHFFFAOYSA-N	-1	3	363.377	2.227	20	30		FEEDHM
O=C(C=Cc1ccccc1-n1cncn1)c1ccc(-c2nnn[n-]2)cc1F	ZINC000826402087	609271112	/nfs/dbraw/zinc/27/11/12/609271112.db2.gz	MNWZCHAQURFMAK-VURMDHGXSA-N	-1	3	361.340	2.483	20	30		FEEDHM
O=C(C=Cc1ccccc1-n1cncn1)c1ccc(-c2nn[n-]n2)cc1F	ZINC000826402087	609271113	/nfs/dbraw/zinc/27/11/13/609271113.db2.gz	MNWZCHAQURFMAK-VURMDHGXSA-N	-1	3	361.340	2.483	20	30		FEEDHM
N#CC1(CS(=O)(=O)[N-]Cc2nccc(C(F)(F)F)n2)CCCCC1	ZINC000561098326	674637018	/nfs/dbraw/zinc/63/70/18/674637018.db2.gz	GJRMIBBROWJMTM-UHFFFAOYSA-N	-1	3	362.377	2.389	20	30		FEEDHM
C#C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)oc1CC)c1ccc(F)cc1	ZINC000812525787	674682599	/nfs/dbraw/zinc/68/25/99/674682599.db2.gz	NAQFQZATJVDHJU-CYBMUJFWSA-N	-1	3	365.382	2.421	20	30		FEEDHM
CCC/C=C\COC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000813909062	674790626	/nfs/dbraw/zinc/79/06/26/674790626.db2.gz	KVZADESLDRNTOH-UJZCVKTISA-N	-1	3	350.440	2.403	20	30		FEEDHM
Cc1nnsc1C=Nn1c(=S)[n-]nc1[C@@H]1COc2ccccc2O1	ZINC000814214762	674826840	/nfs/dbraw/zinc/82/68/40/674826840.db2.gz	HWVDEHHYKMJQTB-NSHDSACASA-N	-1	3	360.424	2.121	20	30		FEEDHM
CC(=N[N-]S(=O)(=O)CCc1ccccc1)c1cc(F)c(N)c(F)c1	ZINC000814861034	674884826	/nfs/dbraw/zinc/88/48/26/674884826.db2.gz	XWVCPNXIFKFTPO-UHFFFAOYSA-N	-1	3	353.394	2.433	20	30		FEEDHM
O=C(CCCCc1ccc(Br)cc1)N[C@@H]1CCN([O-])C1=O	ZINC000816697078	675073658	/nfs/dbraw/zinc/07/36/58/675073658.db2.gz	QGOXIKPCSAJHPN-CYBMUJFWSA-N	-1	3	355.232	2.268	20	30		FEEDHM
CC(C)OC(=O)[C@@H]([N-]S(=O)(=O)Cc1ccc(CC#N)cc1)C(C)C	ZINC000564907858	675074419	/nfs/dbraw/zinc/07/44/19/675074419.db2.gz	OEVXZBQNYLNLBY-INIZCTEOSA-N	-1	3	352.456	2.148	20	30		FEEDHM
Cn1c(C(=O)N[C@H]2CCCN([O-])C2=O)cc2cc(C(F)(F)F)ccc21	ZINC000816759099	675077876	/nfs/dbraw/zinc/07/78/76/675077876.db2.gz	FACCTILTVUUQKR-NSHDSACASA-N	-1	3	355.316	2.307	20	30		FEEDHM
C#CCNS(=O)(=O)c1cccc(C(=O)Nc2c([O-])cccc2Cl)c1	ZINC000816768771	675078675	/nfs/dbraw/zinc/07/86/75/675078675.db2.gz	GBEPELBSXNPVSV-UHFFFAOYSA-N	-1	3	364.810	2.209	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(C#N)cc2)ccc1F	ZINC000071862569	670494751	/nfs/dbraw/zinc/49/47/51/670494751.db2.gz	KLAMNEMHGUEIIG-UHFFFAOYSA-N	-1	3	359.382	2.414	20	30		FEEDHM
CCOC(=O)c1c(NC([O-])=NO[C@H]2CCCCO2)c(C#N)cn1CC	ZINC000817357149	675124588	/nfs/dbraw/zinc/12/45/88/675124588.db2.gz	GHMJVJCMFLBBHJ-LBPRGKRZSA-N	-1	3	350.375	2.136	20	30		FEEDHM
CCOC(=O)c1c(NC(=O)[N-]O[C@H]2CCCCO2)c(C#N)cn1CC	ZINC000817357149	675124590	/nfs/dbraw/zinc/12/45/90/675124590.db2.gz	GHMJVJCMFLBBHJ-LBPRGKRZSA-N	-1	3	350.375	2.136	20	30		FEEDHM
C#CCCCS(=O)(=O)[N-]c1nn(CC(F)(F)F)cc1Br	ZINC000817392475	675128673	/nfs/dbraw/zinc/12/86/73/675128673.db2.gz	UFSXIZXRYJNMRQ-UHFFFAOYSA-N	-1	3	374.182	2.363	20	30		FEEDHM
N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1ccc2nncn2c1	ZINC000113653327	670886871	/nfs/dbraw/zinc/88/68/71/670886871.db2.gz	OJAZHAMTNBBWHC-LLVKDONJSA-N	-1	3	357.732	2.483	20	30		FEEDHM
Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc2c(c1F)CCNC2=O	ZINC000574863469	671282045	/nfs/dbraw/zinc/28/20/45/671282045.db2.gz	LGEDOGUNRQZLIO-UHFFFAOYSA-N	-1	3	359.382	2.093	20	30		FEEDHM
COC(=O)[C@@H](CC1CCCCC1)[N-]S(=O)(=O)c1ccc(C#N)cc1F	ZINC000583298920	672082168	/nfs/dbraw/zinc/08/21/68/672082168.db2.gz	LGONSXRJVVTSMR-OAHLLOKOSA-N	-1	3	368.430	2.488	20	30		FEEDHM
C=C(C)COCCNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1	ZINC000136198964	672137778	/nfs/dbraw/zinc/13/77/78/672137778.db2.gz	OSHTVCJTJGNYAY-UHFFFAOYSA-N	-1	3	372.462	2.225	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1cccc(C#N)c1	ZINC000611024214	676012426	/nfs/dbraw/zinc/01/24/26/676012426.db2.gz	CMEGNVYSKGKFCU-NSHDSACASA-N	-1	3	356.363	2.378	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)c1cccc(Br)c1C#N)c1ccon1	ZINC000588121479	672451593	/nfs/dbraw/zinc/45/15/93/672451593.db2.gz	FQPAYLRGWPSCJH-QMMMGPOBSA-N	-1	3	356.201	2.348	20	30		FEEDHM
Cn1c(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)nnc1C1CCC1	ZINC000185918325	672537378	/nfs/dbraw/zinc/53/73/78/672537378.db2.gz	ZGGHWUVPSLIGCX-UHFFFAOYSA-N	-1	3	365.846	2.086	20	30		FEEDHM
CCNc1ccc(C#N)cc1[N-]S(=O)(=O)C[C@@H](OC)C1CCOCC1	ZINC000592351824	672790147	/nfs/dbraw/zinc/79/01/47/672790147.db2.gz	CJAFEXUSIUGBRK-QGZVFWFLSA-N	-1	3	367.471	2.173	20	30		FEEDHM
COc1ncc(N=Cc2cc(Br)ccc2[O-])cc1C(N)=O	ZINC000255226167	672887058	/nfs/dbraw/zinc/88/70/58/672887058.db2.gz	CFXITALTHZXXPI-UHFFFAOYSA-N	-1	3	350.172	2.408	20	30		FEEDHM
C=C(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1ccc(C(=O)OCC)cc1F	ZINC000593590025	672952425	/nfs/dbraw/zinc/95/24/25/672952425.db2.gz	CFGTXXUZAUBBSS-XJKSGUPXSA-N	-1	3	371.430	2.262	20	30		FEEDHM
Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)NC2CCOCC2)CCCC1	ZINC000329854438	673084372	/nfs/dbraw/zinc/08/43/72/673084372.db2.gz	WJJXDBSBKRHAAL-UHFFFAOYSA-N	-1	3	371.459	2.018	20	30		FEEDHM
COC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)s1)c1cccc(OC)c1	ZINC000594829786	673154725	/nfs/dbraw/zinc/15/47/25/673154725.db2.gz	OESAQHJLHJXRMS-CQSZACIVSA-N	-1	3	352.437	2.294	20	30		FEEDHM
Cc1cc(=O)[n-]c(C(C)(C)NCC(=O)Nc2ccc(C#N)c(Cl)c2)n1	ZINC000595525374	673261479	/nfs/dbraw/zinc/26/14/79/673261479.db2.gz	DVYFWCYUKUGARL-UHFFFAOYSA-N	-1	3	359.817	2.479	20	30		FEEDHM
C[C@@H](OC(=O)c1cccc(Br)c1[O-])C(=O)N(C)CCC#N	ZINC000730363580	673278009	/nfs/dbraw/zinc/27/80/09/673278009.db2.gz	BJQPFFUOSVDEMC-SECBINFHSA-N	-1	3	355.188	2.072	20	30		FEEDHM
C=C(C)CN(CC)C(=O)C[C@H](C)[N-]S(=O)(=O)c1cccnc1Cl	ZINC000731894841	673346707	/nfs/dbraw/zinc/34/67/07/673346707.db2.gz	AZEVGALVDVLVIC-LBPRGKRZSA-N	-1	3	359.879	2.217	20	30		FEEDHM
C=CC[C@@H](CO)C[N-]S(=O)(=O)c1cc(Br)ccc1F	ZINC000538121606	673422834	/nfs/dbraw/zinc/42/28/34/673422834.db2.gz	ZEYUFQIHGRJKCC-SECBINFHSA-N	-1	3	352.225	2.051	20	30		FEEDHM
CSc1ccc([O-])c(C(=O)N2CCN(c3cnccc3C#N)CC2)c1	ZINC000597689687	673499246	/nfs/dbraw/zinc/49/92/46/673499246.db2.gz	QFGVEVXSSKFIEB-UHFFFAOYSA-N	-1	3	354.435	2.343	20	30		FEEDHM
CCC[C@H](CC)NC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000742592513	673731917	/nfs/dbraw/zinc/73/19/17/673731917.db2.gz	CZNRWAVKZWQIIR-OLZOCXBDSA-N	-1	3	351.472	2.199	20	30		FEEDHM
C[C@H](CC(=O)NC[C@@H](C)C(C)(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000742675994	673734417	/nfs/dbraw/zinc/73/44/17/673734417.db2.gz	GWMKCQMPIKGISL-CHWSQXEVSA-N	-1	3	365.499	2.302	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(-c2nc([C@H]3CCCO3)no2)ccc1F	ZINC000546479520	673800936	/nfs/dbraw/zinc/80/09/36/673800936.db2.gz	OTAAQWVFAQGGEV-GFCCVEGCSA-N	-1	3	353.375	2.192	20	30		FEEDHM
CC(C)(CC(F)(F)F)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000614856898	676194300	/nfs/dbraw/zinc/19/43/00/676194300.db2.gz	RPTUTCVETDJHIW-UHFFFAOYSA-N	-1	3	351.306	2.476	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H]2C(F)(F)F)ccc1F	ZINC000820024725	675331430	/nfs/dbraw/zinc/33/14/30/675331430.db2.gz	ZXBHPROWQHWHSK-GFCCVEGCSA-N	-1	3	366.336	2.067	20	30		FEEDHM
O=C(CCCC(=O)c1ccc(Cl)c(Cl)c1)N[C@H]1CCN([O-])C1=O	ZINC000820149915	675339847	/nfs/dbraw/zinc/33/98/47/675339847.db2.gz	TXOURMKLYCGVIW-LBPRGKRZSA-N	-1	3	359.209	2.453	20	30		FEEDHM
O=C(N[C@@H]1CCCN([O-])C1=O)c1[nH]c2ccccc2c1Br	ZINC000820477524	675365010	/nfs/dbraw/zinc/36/50/10/675365010.db2.gz	ZMAADWNBTVRBQC-SNVBAGLBSA-N	-1	3	352.188	2.040	20	30		FEEDHM
C[C@H](CC(=O)O[C@H]1CCC12CCC2)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000821814684	675453800	/nfs/dbraw/zinc/45/38/00/675453800.db2.gz	CEEKDKHOPJRVFX-DOMZBBRYSA-N	-1	3	362.451	2.380	20	30		FEEDHM
COC(=O)c1csc(S(=O)(=O)[N-][C@@H]2CCc3cc(C#N)ccc32)c1	ZINC000618717116	676350825	/nfs/dbraw/zinc/35/08/25/676350825.db2.gz	VOXSJYRBKWWZTR-CQSZACIVSA-N	-1	3	362.432	2.372	20	30		FEEDHM
CC#CC[C@H](CO)[N-]S(=O)(=O)c1cccc(Br)c1Cl	ZINC000645885012	677274208	/nfs/dbraw/zinc/27/42/08/677274208.db2.gz	ZXCIXIYHBJZMIR-SECBINFHSA-N	-1	3	366.664	2.155	20	30		FEEDHM
CN(Cc1ccc(Cl)c(Cl)c1)C(=O)Cn1ccc(C=N[O-])nc1=O	ZINC000747836543	679906714	/nfs/dbraw/zinc/90/67/14/679906714.db2.gz	WCWKCKCTQWZNCD-UHFFFAOYSA-N	-1	3	369.208	2.017	20	30		FEEDHM
CC(C)Oc1ccc([N-]S(=O)(=O)CC(=O)O[C@@H](C#N)C(C)C)cc1	ZINC000750647265	680125871	/nfs/dbraw/zinc/12/58/71/680125871.db2.gz	MOYSGUIMXXZZKN-HNNXBMFYSA-N	-1	3	354.428	2.307	20	30		FEEDHM
O=C1CN(N=Cc2cnc(-c3ccc(Br)cc3)s2)C(=O)[N-]1	ZINC000752720730	680256005	/nfs/dbraw/zinc/25/60/05/680256005.db2.gz	MUTYXYYDWFYOGL-UHFFFAOYSA-N	-1	3	365.212	2.458	20	30		FEEDHM
CC(C)C1(CNC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)CC1	ZINC000753319687	680285650	/nfs/dbraw/zinc/28/56/50/680285650.db2.gz	JESNNLKGWNVUJY-ZDUSSCGKSA-N	-1	3	363.483	2.056	20	30		FEEDHM
C=C(C)CN(CC)C(=O)[C@@H](C)OC(=O)c1cc(OC)c([O-])c(OC)c1	ZINC000754277511	680347411	/nfs/dbraw/zinc/34/74/11/680347411.db2.gz	BKNSUIDHWQZGJY-GFCCVEGCSA-N	-1	3	351.399	2.379	20	30		FEEDHM
C=CCO[N-]C(=O)CC[C@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O	ZINC000837046444	680546478	/nfs/dbraw/zinc/54/64/78/680546478.db2.gz	JEVOGLFOQXLPMQ-GFCCVEGCSA-N	-1	3	372.208	2.432	20	30		FEEDHM
C=Cn1cc(C=Nn2c(=S)[n-]nc2[C@H]2COc3ccccc3O2)cn1	ZINC000773018289	681121797	/nfs/dbraw/zinc/12/17/97/681121797.db2.gz	LCHXSLWTSCDTFX-CQSZACIVSA-N	-1	3	354.395	2.259	20	30		FEEDHM
C=C(C)CO[N-]C(=O)CC[C@@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O	ZINC000846539201	681256025	/nfs/dbraw/zinc/25/60/25/681256025.db2.gz	RESSHVOBAJFFNC-ZDUSSCGKSA-N	-1	3	351.790	2.169	20	30		FEEDHM
C=C[C@@H](C)O[N-]C(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1	ZINC000846542140	681257457	/nfs/dbraw/zinc/25/74/57/681257457.db2.gz	VMICRAATMGLAED-OAHLLOKOSA-N	-1	3	366.483	2.416	20	30		FEEDHM
C=C[C@H](C)O[N-]C(=O)CCc1ccc(S(=O)(=O)N(CC)CC)cc1	ZINC000846544083	681258156	/nfs/dbraw/zinc/25/81/56/681258156.db2.gz	UNOKWSQZJPTDDH-AWEZNQCLSA-N	-1	3	354.472	2.272	20	30		FEEDHM
C=CCCn1cc(CN(CC(=O)OC)Cc2cc(Cl)ccc2[O-])nn1	ZINC000846824314	681295341	/nfs/dbraw/zinc/29/53/41/681295341.db2.gz	MAUGRINYOIOZFZ-UHFFFAOYSA-N	-1	3	364.833	2.388	20	30		FEEDHM
C#CCOc1ccc(F)cc1NC(=O)NCc1nc(C(F)(F)F)n[n-]1	ZINC000775641197	681320998	/nfs/dbraw/zinc/32/09/98/681320998.db2.gz	LHXPLAYCXMKSBP-UHFFFAOYSA-N	-1	3	357.267	2.296	20	30		FEEDHM
Cc1ccc(CCC(=O)N[C@@H]2CCCN([O-])C2=O)c(Br)c1	ZINC000848133965	681478048	/nfs/dbraw/zinc/47/80/48/681478048.db2.gz	KYCVEEIWAYNQJM-CYBMUJFWSA-N	-1	3	355.232	2.187	20	30		FEEDHM
CC(=N[N-]c1[nH+]cnc2[n-]cnc21)c1ncc(Br)cc1F	ZINC000777433065	681493392	/nfs/dbraw/zinc/49/33/92/681493392.db2.gz	TXERDFFLKPYSMW-UHFFFAOYSA-N	-1	3	350.155	2.486	20	30		FEEDHM
COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]CC1(C#N)CCCCC1	ZINC000849474178	681753600	/nfs/dbraw/zinc/75/36/00/681753600.db2.gz	XAPUUFHDJKUFEE-UHFFFAOYSA-N	-1	3	371.846	2.274	20	30		FEEDHM
N#CCC1(COC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)CC1	ZINC000849679392	681781733	/nfs/dbraw/zinc/78/17/33/681781733.db2.gz	HMBFJVFLCPYDFB-UHFFFAOYSA-N	-1	3	352.387	2.117	20	30		FEEDHM
C[C@]1(C#N)CCCN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)C1	ZINC000784749071	682251999	/nfs/dbraw/zinc/25/19/99/682251999.db2.gz	YGEABEFXNDKLJP-QGZVFWFLSA-N	-1	3	365.430	2.032	20	30		FEEDHM
CCCC[C@H](CC)COC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000918494139	685539619	/nfs/dbraw/zinc/53/96/19/685539619.db2.gz	OCRWMJNYXKHVJT-ZDUSSCGKSA-N	-1	3	352.456	2.485	20	30		FEEDHM
C#C[C@H](NC(=O)NCc1ccc([O-])c(Br)c1)C1CCOCC1	ZINC000852643938	682312774	/nfs/dbraw/zinc/31/27/74/682312774.db2.gz	ZYFLBQDHUIXECK-AWEZNQCLSA-N	-1	3	367.243	2.382	20	30		FEEDHM
N#Cc1ncc(Br)cc1NCCNC(=O)c1ccc([O-])cc1	ZINC000787897618	682488227	/nfs/dbraw/zinc/48/82/27/682488227.db2.gz	QCUKYLZCFQACHZ-UHFFFAOYSA-N	-1	3	361.199	2.263	20	30		FEEDHM
C=C(Cl)C[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1OC	ZINC000790209543	682660283	/nfs/dbraw/zinc/66/02/83/682660283.db2.gz	OPPGGDVOCMAGRQ-UHFFFAOYSA-N	-1	3	354.211	2.166	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)NC[C@]2(C)CC2(F)F)ccc1F	ZINC000855798517	682713497	/nfs/dbraw/zinc/71/34/97/682713497.db2.gz	DMNOSUFCCCRNGV-AWEZNQCLSA-N	-1	3	362.373	2.065	20	30		FEEDHM
C=CCCC(C)(C)NC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000856374370	682771916	/nfs/dbraw/zinc/77/19/16/682771916.db2.gz	YNUZGGLQEXRLBR-CYBMUJFWSA-N	-1	3	363.483	2.365	20	30		FEEDHM
C#CC[C@H](CCOC)[N-]S(=O)(=O)c1cc(F)ccc1Br	ZINC000859424775	683107410	/nfs/dbraw/zinc/10/74/10/683107410.db2.gz	WAYQMBXZXUCYRY-LLVKDONJSA-N	-1	3	364.236	2.295	20	30		FEEDHM
CC(C)[C@@](C)(C#N)NC(=O)COC(=O)c1cc([O-])cc(Br)c1	ZINC000860200407	683214828	/nfs/dbraw/zinc/21/48/28/683214828.db2.gz	BDGDHTULPNDRSB-OAHLLOKOSA-N	-1	3	369.215	2.366	20	30		FEEDHM
CCCS(=O)(=O)Nc1ccc(N=Cc2c([O-])c(C)ncc2CO)cc1	ZINC000920479056	683345102	/nfs/dbraw/zinc/34/51/02/683345102.db2.gz	JBSZNVFMILXPLO-UHFFFAOYSA-N	-1	3	363.439	2.490	20	30		FEEDHM
C=CCCC[C@@H]([N-]S(=O)(=O)CCc1noc2ccccc12)C(=O)OC	ZINC000921382984	683447921	/nfs/dbraw/zinc/44/79/21/683447921.db2.gz	MRXRFWGWWPGEEF-OAHLLOKOSA-N	-1	3	366.439	2.188	20	30		FEEDHM
CC(C)C1(COC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)CC1	ZINC000799675457	683480039	/nfs/dbraw/zinc/48/00/39/683480039.db2.gz	JDLBTOCINGXPSM-ZDUSSCGKSA-N	-1	3	364.467	2.483	20	30		FEEDHM
CC1(C)CCC[C@@H]1CCNC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000862363381	683577698	/nfs/dbraw/zinc/57/76/98/683577698.db2.gz	OKFTTXGNGXZFDB-CYBMUJFWSA-N	-1	3	363.483	2.058	20	30		FEEDHM
C=CCCS(=O)(=O)[N-][C@H](C(=O)OC)c1ccc(C(F)(F)F)cc1	ZINC000921854937	683595185	/nfs/dbraw/zinc/59/51/85/683595185.db2.gz	QQSMPMXDYBXCMQ-LBPRGKRZSA-N	-1	3	351.346	2.415	20	30		FEEDHM
C#CCC1([N-]S(=O)(=O)c2cc(S(C)(=O)=O)sc2Cl)CCC1	ZINC000922048469	683646095	/nfs/dbraw/zinc/64/60/95/683646095.db2.gz	YVXNINBZTAEIRZ-UHFFFAOYSA-N	-1	3	367.901	2.029	20	30		FEEDHM
COc1cc(Br)cc(C)c1NC(=O)N[C@H]1CCCN([O-])C1=O	ZINC000866108009	684072818	/nfs/dbraw/zinc/07/28/18/684072818.db2.gz	LYXOKKDFPCCVGN-JTQLQIEISA-N	-1	3	372.219	2.268	20	30		FEEDHM
CCOC(=O)[C@@H](CC=C(C)C)[N-]S(=O)(=O)Cc1ccc(C#N)cc1	ZINC000867758980	684375849	/nfs/dbraw/zinc/37/58/49/684375849.db2.gz	LIGIIGCFJHVHNX-MRXNPFEDSA-N	-1	3	350.440	2.266	20	30		FEEDHM
C[C@]1(c2cccc(Br)c2)C[C@H]1C(=O)N[C@@H]1CCCN([O-])C1=O	ZINC000868563937	684511780	/nfs/dbraw/zinc/51/17/80/684511780.db2.gz	YKBZQLSGNCZAOG-WOSRLPQWSA-N	-1	3	367.243	2.223	20	30		FEEDHM
Cc1ccc(S(=O)(=O)[N-][C@H](c2cnn(C)c2)C(F)(F)F)c(C#N)c1	ZINC000872480131	684960986	/nfs/dbraw/zinc/96/09/86/684960986.db2.gz	RMOJZMVPJVJFKV-CYBMUJFWSA-N	-1	3	358.345	2.182	20	30		FEEDHM
Cc1cc(Br)c(F)cc1NC(=O)N[C@H]1CCCN([O-])C1=O	ZINC000879233519	686776568	/nfs/dbraw/zinc/77/65/68/686776568.db2.gz	BLDOTLRLYVMOMK-JTQLQIEISA-N	-1	3	360.183	2.398	20	30		FEEDHM
Cc1c(Br)ccc(NC(=O)N[C@@H]2CCCN([O-])C2=O)c1F	ZINC000879418962	686818326	/nfs/dbraw/zinc/81/83/26/686818326.db2.gz	WNWZDFWAMDWXFB-SNVBAGLBSA-N	-1	3	360.183	2.398	20	30		FEEDHM
CN(C)c1ccc(NC(=O)N[C@H]2CCCN([O-])C2=O)cc1C(F)(F)F	ZINC000879890121	686939789	/nfs/dbraw/zinc/93/97/89/686939789.db2.gz	DNMJWHUQASYMBU-NSHDSACASA-N	-1	3	360.336	2.273	20	30		FEEDHM
N#Cc1ccc(C2(C(=O)NCc3cc(=O)[n-]c(=S)[nH]3)CCCC2)cc1	ZINC000880513142	687055660	/nfs/dbraw/zinc/05/56/60/687055660.db2.gz	YIYBJAHIYDGNRY-UHFFFAOYSA-N	-1	3	354.435	2.471	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccnn2C2CC2)ccc1F	ZINC000889691969	688807474	/nfs/dbraw/zinc/80/74/74/688807474.db2.gz	AXELAPSNCXVBJX-UHFFFAOYSA-N	-1	3	364.402	2.074	20	30		FEEDHM
O=C(Cn1ccc(Br)cc1=O)N([O-])Cc1ccc(F)cc1	ZINC000900094505	690471199	/nfs/dbraw/zinc/47/11/99/690471199.db2.gz	NTGKEOWMDJSJOW-UHFFFAOYSA-N	-1	3	355.163	2.168	20	30		FEEDHM
COCCS(=O)(=O)c1ccc(C(=O)N([O-])Cc2ccc(F)cc2)cc1	ZINC000901374657	690641665	/nfs/dbraw/zinc/64/16/65/690641665.db2.gz	PNLKQGQDHGSNIQ-UHFFFAOYSA-N	-1	3	367.398	2.277	20	30		FEEDHM
C[C@H](C(=O)N([O-])Cc1ccccc1Cl)S(=O)(=O)C1CCOCC1	ZINC000904190798	691011548	/nfs/dbraw/zinc/01/15/48/691011548.db2.gz	QEVUNQLYWKFFCR-LLVKDONJSA-N	-1	3	361.847	2.040	20	30		FEEDHM
N#Cc1sc2ccccc2c1S(=O)(=O)[N-]CC[C@H](O)C(F)(F)F	ZINC000906976072	691358337	/nfs/dbraw/zinc/35/83/37/691358337.db2.gz	VSAFRDDUNAEYHK-NSHDSACASA-N	-1	3	364.370	2.365	20	30		FEEDHM
C#CCN(C)CCCNC(=O)N[C@@H](C(=O)[O-])c1cccc2ccccc21	ZINC000909036812	939372588	/nfs/dbraw/zinc/37/25/88/939372588.db2.gz	AGRQHGHWJQQHEW-GOSISDBHSA-N	-1	3	353.422	2.220	20	30		FEEDHM
COC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1)c1cccs1	ZINC000024485757	539733064	/nfs/dbraw/zinc/73/30/64/539733064.db2.gz	HGQXCPWLXIVRTN-CYBMUJFWSA-N	-1	3	350.421	2.202	20	30		FEEDHM
Cc1cc([N-]C(=O)[C@H](C)N2CCCN(c3ccccc3C#N)CC2)on1	ZINC000052801307	540490201	/nfs/dbraw/zinc/49/02/01/540490201.db2.gz	SNILYKORXJBOKN-HNNXBMFYSA-N	-1	3	353.426	2.394	20	30		FEEDHM
COc1cc(CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)ccc1C	ZINC000054282402	540580382	/nfs/dbraw/zinc/58/03/82/540580382.db2.gz	BCCNTJQFOZCKDF-UHFFFAOYSA-N	-1	3	353.422	2.429	20	30		FEEDHM
CCOc1ccc(C#N)cc1NC(=O)NCCNC(=O)c1ccc([O-])cc1	ZINC000056645062	540738317	/nfs/dbraw/zinc/73/83/17/540738317.db2.gz	FISJICYXWULOBO-UHFFFAOYSA-N	-1	3	368.393	2.214	20	30		FEEDHM
C[C@H](C#N)CN(C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1	ZINC000068225890	541565570	/nfs/dbraw/zinc/56/55/70/541565570.db2.gz	NGDAYNCXZQXAQB-LLVKDONJSA-N	-1	3	355.435	2.134	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCCNc1ccccc1	ZINC000068507957	541601354	/nfs/dbraw/zinc/60/13/54/541601354.db2.gz	UXQCADYUPWMEEB-UHFFFAOYSA-N	-1	3	352.438	2.414	20	30		FEEDHM
O=C(CCN1C(=O)c2ccccc2C1=O)Nc1nnc(C(F)(F)F)[n-]1	ZINC000072673379	541848577	/nfs/dbraw/zinc/84/85/77/541848577.db2.gz	VRZPANLSOYUGPC-UHFFFAOYSA-N	-1	3	353.260	2.098	20	30		FEEDHM
O=C(CCN1C(=O)c2ccccc2C1=O)Nc1nc(C(F)(F)F)n[n-]1	ZINC000072673379	541848582	/nfs/dbraw/zinc/84/85/82/541848582.db2.gz	VRZPANLSOYUGPC-UHFFFAOYSA-N	-1	3	353.260	2.098	20	30		FEEDHM
COc1cc(-c2noc(CCc3c(C)[n-]c(=O)c(C#N)c3C)n2)ccn1	ZINC000073340165	541945053	/nfs/dbraw/zinc/94/50/53/541945053.db2.gz	CYUWFWBAJDYOBD-UHFFFAOYSA-N	-1	3	351.366	2.102	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(N2CCCC2)cn1	ZINC000075431061	542178625	/nfs/dbraw/zinc/17/86/25/542178625.db2.gz	CNRKMIZHSFHIOZ-UHFFFAOYSA-N	-1	3	365.437	2.430	20	30		FEEDHM
CC[C@@H](C#N)NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C(C)(C)C)c1	ZINC000102351898	543066334	/nfs/dbraw/zinc/06/63/34/543066334.db2.gz	VFQNMVJIMUHUTO-NSHDSACASA-N	-1	3	357.863	2.449	20	30		FEEDHM
C[C@@H](CC#N)N(C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1	ZINC000103442218	543107321	/nfs/dbraw/zinc/10/73/21/543107321.db2.gz	UAXAXTGPBYOBSF-NSHDSACASA-N	-1	3	355.435	2.277	20	30		FEEDHM
Cc1nc(C(=O)N(C)C)ccc1C([O-])=C(C#N)c1nc2ccccc2n1C	ZINC000103796066	543117040	/nfs/dbraw/zinc/11/70/40/543117040.db2.gz	UOUMLONJIHVEBO-AWEZNQCLSA-N	-1	3	361.405	2.469	20	30		FEEDHM
COc1cccc(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)c1[O-]	ZINC000114312066	543509518	/nfs/dbraw/zinc/50/95/18/543509518.db2.gz	QOZSVPXMUJZVBT-INIZCTEOSA-N	-1	3	351.406	2.251	20	30		FEEDHM
COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]Cc1ccc(C#N)cc1F	ZINC000131793673	544206945	/nfs/dbraw/zinc/20/69/45/544206945.db2.gz	JXHKIVPRRMXSQV-UHFFFAOYSA-N	-1	3	366.345	2.102	20	30		FEEDHM
N#Cc1ccc(SCC(=O)Nc2ccc(Cc3nnn[n-]3)cc2)cc1	ZINC000137001219	544382838	/nfs/dbraw/zinc/38/28/38/544382838.db2.gz	ZUMRGSLSSPBVSA-UHFFFAOYSA-N	-1	3	350.407	2.393	20	30		FEEDHM
N#Cc1ccc(SCC(=O)Nc2ccc(Cc3nn[n-]n3)cc2)cc1	ZINC000137001219	544382840	/nfs/dbraw/zinc/38/28/40/544382840.db2.gz	ZUMRGSLSSPBVSA-UHFFFAOYSA-N	-1	3	350.407	2.393	20	30		FEEDHM
CC(C)[N-]C(=S)C(C(=O)c1cnn(C)c1)[n+]1cc([O-])cc(Cl)c1	ZINC000151921652	544595908	/nfs/dbraw/zinc/59/59/08/544595908.db2.gz	JQXPUAZGANISJC-UHFFFAOYSA-O	-1	3	353.855	2.003	20	30		FEEDHM
CC(C)(C)OC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)CCCC#N	ZINC000152137138	544616726	/nfs/dbraw/zinc/61/67/26/544616726.db2.gz	ZCWTVOCORBAUCQ-HNNXBMFYSA-N	-1	3	352.456	2.163	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(-c2nc(C(C)(C)OC)no2)ccc1F	ZINC000154223808	544878436	/nfs/dbraw/zinc/87/84/36/544878436.db2.gz	RLGNJNVSMZIBFH-UHFFFAOYSA-N	-1	3	355.391	2.222	20	30		FEEDHM
C[C@@H]1CN(CC2CCN(C(=O)c3ccc(C#N)c([O-])c3)CC2)C[C@H](C)O1	ZINC000187988545	328058530	/nfs/dbraw/zinc/05/85/30/328058530.db2.gz	XXEVPTKECVYBQH-GASCZTMLSA-N	-1	3	357.454	2.225	20	30		FEEDHM
CS(=O)(=O)[N-]c1cc(NC(=O)c2cccc(F)c2C#N)ccc1F	ZINC000188981503	328121645	/nfs/dbraw/zinc/12/16/45/328121645.db2.gz	OXMHOURVPRLLJY-UHFFFAOYSA-N	-1	3	351.334	2.460	20	30		FEEDHM
COC[C@H]([N-]S(=O)(=O)c1ccc(C#N)nc1)c1ccc(Cl)cc1	ZINC000192929101	328347350	/nfs/dbraw/zinc/34/73/50/328347350.db2.gz	MSOKDYXERFJCAT-HNNXBMFYSA-N	-1	3	351.815	2.273	20	30		FEEDHM
Cc1ccc([C@@H]2COCCN2C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)o1	ZINC000116703090	326030157	/nfs/dbraw/zinc/03/01/57/326030157.db2.gz	NUFRORGEMVVZMG-KRWDZBQOSA-N	-1	3	369.421	2.298	20	30		FEEDHM
Cc1nc(C)c(CCC(=O)Nc2nc3c(cc2C#N)CCCC3)c(=O)[n-]1	ZINC000122099174	326383849	/nfs/dbraw/zinc/38/38/49/326383849.db2.gz	NNAAWWNKYFNKHE-UHFFFAOYSA-N	-1	3	351.410	2.104	20	30		FEEDHM
N#Cc1cc(F)ccc1S(=O)(=O)[N-]Cc1cc(=O)[nH]c2ccccc12	ZINC000122228594	326388916	/nfs/dbraw/zinc/38/89/16/326388916.db2.gz	NJBJVAWHHZDCFF-UHFFFAOYSA-N	-1	3	357.366	2.017	20	30		FEEDHM
CN(CCC[N-]S(=O)(=O)c1cccc(Cl)c1C#N)CC(F)(F)F	ZINC000156498321	326833306	/nfs/dbraw/zinc/83/33/06/326833306.db2.gz	WSYDBBICYNFUAR-UHFFFAOYSA-N	-1	3	369.796	2.374	20	30		FEEDHM
CCN(CC)C(=O)CCC[N-]S(=O)(=O)c1cccc(Cl)c1C#N	ZINC000156506238	326833722	/nfs/dbraw/zinc/83/37/22/326833722.db2.gz	CSKQZINKZUHVDM-UHFFFAOYSA-N	-1	3	357.863	2.139	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)[C@@H]1COc2ccccc21	ZINC000167592057	327085400	/nfs/dbraw/zinc/08/54/00/327085400.db2.gz	FEQSPNCMNICLRZ-FZMZJTMJSA-N	-1	3	373.390	2.309	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCOC2(CCCCC2)C1	ZINC000174452840	327327819	/nfs/dbraw/zinc/32/78/19/327327819.db2.gz	ONOUGCITSHLKLF-UHFFFAOYSA-N	-1	3	357.454	2.358	20	30		FEEDHM
N#Cc1cc(F)c(C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)c(F)c1	ZINC000176375591	327452074	/nfs/dbraw/zinc/45/20/74/327452074.db2.gz	GVZNLVFGDFGZGJ-UHFFFAOYSA-N	-1	3	371.343	2.140	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC[C@H](O)c1ccccc1	ZINC000266371804	329216235	/nfs/dbraw/zinc/21/62/35/329216235.db2.gz	JAEMNFVRBPSLOY-SFHVURJKSA-N	-1	3	353.422	2.448	20	30		FEEDHM
COC(=O)C1([N-]S(=O)(=O)c2ccc(Cl)cc2C#N)CCCCC1	ZINC000156322479	545617261	/nfs/dbraw/zinc/61/72/61/545617261.db2.gz	JWAVMILOFFSLEB-UHFFFAOYSA-N	-1	3	356.831	2.366	20	30		FEEDHM
N#CC(=C([O-])c1ccc(C(=O)NC2CC2)cc1)c1nnc2n1CCCCC2	ZINC000156422367	545626177	/nfs/dbraw/zinc/62/61/77/545626177.db2.gz	HOKLLZBDQOHILO-MRXNPFEDSA-N	-1	3	363.421	2.387	20	30		FEEDHM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C[C@H]1CCOc2ccccc21	ZINC000157394938	545735637	/nfs/dbraw/zinc/73/56/37/545735637.db2.gz	YFXQEESFWOYULR-GFCCVEGCSA-N	-1	3	373.390	2.311	20	30		FEEDHM
C=C(CNC(=O)NCc1ccc(S(=O)(=O)[N-]C)s1)c1ccccc1	ZINC000477819560	561153870	/nfs/dbraw/zinc/15/38/70/561153870.db2.gz	PCOGXGMMZFCHJO-UHFFFAOYSA-N	-1	3	365.480	2.169	20	30		FEEDHM
C[C@@H](C#N)NC(=O)c1sccc1S(=O)(=O)[N-]C1CCCCCC1	ZINC000161385735	546126358	/nfs/dbraw/zinc/12/63/58/546126358.db2.gz	ZJERCWLYOVRWDP-NSHDSACASA-N	-1	3	355.485	2.391	20	30		FEEDHM
C=CCCOCC[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F	ZINC000163360700	546145208	/nfs/dbraw/zinc/14/52/08/546145208.db2.gz	TZHGAQAUDPWJCU-UHFFFAOYSA-N	-1	3	364.826	2.309	20	30		FEEDHM
Cn1ncc(C(=O)[N-]c2n[nH]c(-c3cccc(C(F)(F)F)c3)n2)c1C#N	ZINC000479951851	561200095	/nfs/dbraw/zinc/20/00/95/561200095.db2.gz	BSLNNJYUZXRTJX-UHFFFAOYSA-N	-1	3	361.287	2.348	20	30		FEEDHM
N#CCCCCNC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1	ZINC000180807822	547182727	/nfs/dbraw/zinc/18/27/27/547182727.db2.gz	ARLDVYQIVLYWLT-UHFFFAOYSA-N	-1	3	354.407	2.082	20	30		FEEDHM
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@]1(C#N)CCC[C@@H](C)C1	ZINC000182013559	547422182	/nfs/dbraw/zinc/42/21/82/547422182.db2.gz	ODSRUMIMZSHIAP-IAQYHMDHSA-N	-1	3	353.400	2.354	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCO[C@@H]2c2cccnc2)c(Cl)c1	ZINC000483851210	561285074	/nfs/dbraw/zinc/28/50/74/561285074.db2.gz	GNTZJDMSGWZIKK-GOEBONIOSA-N	-1	3	363.826	2.415	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]Cc2nncn2-c2ccccc2)c(Cl)c1	ZINC000183487246	547669223	/nfs/dbraw/zinc/66/92/23/547669223.db2.gz	TZDIAZNLZVTICZ-UHFFFAOYSA-N	-1	3	373.825	2.271	20	30		FEEDHM
C=CC[C@H](CO)NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1	ZINC000185725757	548025331	/nfs/dbraw/zinc/02/53/31/548025331.db2.gz	XZNJNSYQPFZPET-MJGOQNOKSA-N	-1	3	368.433	2.307	20	30		FEEDHM
CC[C@H](CC#N)[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1	ZINC000186428452	548134361	/nfs/dbraw/zinc/13/43/61/548134361.db2.gz	VBCQMVFJTRSLPD-MRVPVSSYSA-N	-1	3	362.205	2.328	20	30		FEEDHM
C[N-]S(=O)(=O)c1cc(NC(=O)NCC(C)(C)CCC#N)ccc1F	ZINC000486426274	561346834	/nfs/dbraw/zinc/34/68/34/561346834.db2.gz	ATACLLABFJPUAI-UHFFFAOYSA-N	-1	3	356.423	2.185	20	30		FEEDHM
C[C@H](C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)N1CCC[C@@H](C)C1	ZINC000246464209	549139075	/nfs/dbraw/zinc/13/90/75/549139075.db2.gz	GDYLMQWRBGPVNB-VXGBXAGGSA-N	-1	3	357.426	2.235	20	30		FEEDHM
C[C@@H](CN1CCC[C@@H](C)C1)[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000249144663	549560525	/nfs/dbraw/zinc/56/05/25/549560525.db2.gz	GELVSELWBOTGLW-NEPJUHHUSA-N	-1	3	357.426	2.235	20	30		FEEDHM
CCc1cc(N2CCC[C@@H](/N=C/c3c([O-])c(C)ncc3CO)C2)ncn1	ZINC000264823712	550002101	/nfs/dbraw/zinc/00/21/01/550002101.db2.gz	CYDOHPYESKUEAU-MSGYXIIISA-N	-1	3	355.442	2.028	20	30		FEEDHM
Cc1cc(/N=C/c2c([O-])c(C)ncc2CO)ccc1N1C(=O)CCC1=O	ZINC000264869536	550002795	/nfs/dbraw/zinc/00/27/95/550002795.db2.gz	SZAHSQPDTKOFFK-ZVBGSRNCSA-N	-1	3	353.378	2.300	20	30		FEEDHM
N#Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NC3CC3)c2)c(F)c1	ZINC000493341249	561455582	/nfs/dbraw/zinc/45/55/82/561455582.db2.gz	YOGKHEGKTGVVBN-UHFFFAOYSA-N	-1	3	359.382	2.390	20	30		FEEDHM
COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C#N)cc2F)ccc1OC	ZINC000494500787	561470745	/nfs/dbraw/zinc/47/07/45/561470745.db2.gz	FVRCCXHURPIKPU-UHFFFAOYSA-N	-1	3	364.354	2.293	20	30		FEEDHM
CCO[N-]C(=O)Nc1ccc(S(=O)(=O)N=C2CCCCCN2)cc1	ZINC000273728605	550509567	/nfs/dbraw/zinc/50/95/67/550509567.db2.gz	QKWMPWPQNPUTCH-UHFFFAOYSA-N	-1	3	354.432	2.010	20	30		FEEDHM
Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N(CC#N)C3CC3)cs2)c1	ZINC000274197259	550527194	/nfs/dbraw/zinc/52/71/94/550527194.db2.gz	KVOUZVUBEZZHDY-UHFFFAOYSA-N	-1	3	370.434	2.467	20	30		FEEDHM
COC(=O)[C@H](Cc1c[nH]c2ccccc12)/N=C/c1c([O-])c(C)ncc1CO	ZINC000274861204	550560116	/nfs/dbraw/zinc/56/01/16/550560116.db2.gz	SZNGDTDXVMJWPK-TXRNYMQSSA-N	-1	3	367.405	2.272	20	30		FEEDHM
CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H](C)n3cnc(C#N)n3)c2)n1	ZINC000494668851	561473728	/nfs/dbraw/zinc/47/37/28/561473728.db2.gz	ZDKDJNIUVDMEMQ-LLVKDONJSA-N	-1	3	363.381	2.074	20	30		FEEDHM
C#CCN(C(=O)C(=O)[N-]c1scc(C2CC2)c1C(=O)OCC)C1CC1	ZINC000276192203	550577337	/nfs/dbraw/zinc/57/73/37/550577337.db2.gz	MVVDXKXODVBPTI-UHFFFAOYSA-N	-1	3	360.435	2.365	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-]C[C@@H]1CCCO[C@@H]1c1ccccc1	ZINC000276998113	550620013	/nfs/dbraw/zinc/62/00/13/550620013.db2.gz	JNJOPQSBJDFFSN-MAUKXSAKSA-N	-1	3	357.435	2.399	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1	ZINC000279465651	550893427	/nfs/dbraw/zinc/89/34/27/550893427.db2.gz	WJOVPAMPUMSTEX-PGICJIBASA-N	-1	3	373.453	2.003	20	30		FEEDHM
Cc1nc(C#N)c(N2CCC(C(=O)Nc3nnc(-c4ccco4)[n-]3)CC2)o1	ZINC000280196616	550970186	/nfs/dbraw/zinc/97/01/86/550970186.db2.gz	HSENCHYUFMYLPW-UHFFFAOYSA-N	-1	3	367.369	2.088	20	30		FEEDHM
Cc1nc(C#N)c(N2CCC(C(=O)Nc3nc(-c4ccco4)n[n-]3)CC2)o1	ZINC000280196616	550970188	/nfs/dbraw/zinc/97/01/88/550970188.db2.gz	HSENCHYUFMYLPW-UHFFFAOYSA-N	-1	3	367.369	2.088	20	30		FEEDHM
Cc1nc(C#N)c(N2CCC(C(=O)Nc3n[n-]c(-c4ccco4)n3)CC2)o1	ZINC000280196616	550970189	/nfs/dbraw/zinc/97/01/89/550970189.db2.gz	HSENCHYUFMYLPW-UHFFFAOYSA-N	-1	3	367.369	2.088	20	30		FEEDHM
C=C(C)[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cncc(Br)c1	ZINC000280489846	550999463	/nfs/dbraw/zinc/99/94/63/550999463.db2.gz	AZZBUUKAMNABNF-GWCFXTLKSA-N	-1	3	361.261	2.104	20	30		FEEDHM
C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1ccc(Cl)cc1C(=O)OC	ZINC000280500917	551000917	/nfs/dbraw/zinc/00/09/17/551000917.db2.gz	CBECVOZQGHGXBR-IAQYHMDHSA-N	-1	3	373.858	2.386	20	30		FEEDHM
C[C@@H](CN(C)c1nc2c(c(C#N)c1C#N)CCCCCC2)c1nnn[n-]1	ZINC000281543797	551111495	/nfs/dbraw/zinc/11/14/95/551111495.db2.gz	SFHWKHCAZVAYLL-LBPRGKRZSA-N	-1	3	350.430	2.237	20	30		FEEDHM
C[C@@H](CN(C)c1nc2c(c(C#N)c1C#N)CCCCCC2)c1nn[n-]n1	ZINC000281543797	551111497	/nfs/dbraw/zinc/11/14/97/551111497.db2.gz	SFHWKHCAZVAYLL-LBPRGKRZSA-N	-1	3	350.430	2.237	20	30		FEEDHM
Cn1cc(C(=O)C(C(=S)[N-]C2(C)CC2)[n+]2cc([O-])cc(Cl)c2)cn1	ZINC000284494432	551561921	/nfs/dbraw/zinc/56/19/21/551561921.db2.gz	SMAFJWOZFMTDRP-UHFFFAOYSA-O	-1	3	365.866	2.148	20	30		FEEDHM
CCOC(=O)c1cnn(Cc2nc(=O)c3c(C)c(C)sc3[n-]2)c1C#N	ZINC000499482699	561551985	/nfs/dbraw/zinc/55/19/85/561551985.db2.gz	CMIVSNFXMPFHAK-UHFFFAOYSA-N	-1	3	357.395	2.307	20	30		FEEDHM
CCc1cc(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)ccc1[O-]	ZINC000292872767	552767245	/nfs/dbraw/zinc/76/72/45/552767245.db2.gz	LOMVHDOYGOFTIC-SFHVURJKSA-N	-1	3	363.417	2.357	20	30		FEEDHM
O=C(CC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)[N-]CC(F)(F)F	ZINC000502119324	561612447	/nfs/dbraw/zinc/61/24/47/561612447.db2.gz	HZUGRYQAXSBNFO-UHFFFAOYSA-N	-1	3	374.203	2.398	20	30		FEEDHM
C[C@H](CCCCO)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000295754040	553054795	/nfs/dbraw/zinc/05/47/95/553054795.db2.gz	OMVONJARBOGLNL-SNVBAGLBSA-N	-1	3	350.362	2.406	20	30		FEEDHM
CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)c2cccc(C(N)=O)c2)C1=O	ZINC000298266028	553405607	/nfs/dbraw/zinc/40/56/07/553405607.db2.gz	BQKVKZSPHXNQRB-IBGZPJMESA-N	-1	3	374.441	2.101	20	30		FEEDHM
N#Cc1ccc(N2CCN(C(=O)c3cc(F)cc4[n-]nnc43)CC2)c(F)c1	ZINC000503466942	561642199	/nfs/dbraw/zinc/64/21/99/561642199.db2.gz	ZLEXXURVHCDKJW-UHFFFAOYSA-N	-1	3	368.347	2.070	20	30		FEEDHM
N#Cc1ccc(N2CCN(C(=O)c3cc(F)cc4nn[n-]c43)CC2)c(F)c1	ZINC000503466942	561642200	/nfs/dbraw/zinc/64/22/00/561642200.db2.gz	ZLEXXURVHCDKJW-UHFFFAOYSA-N	-1	3	368.347	2.070	20	30		FEEDHM
N#Cc1ccc(N2CCN(C(=O)c3cc(F)cc4n[n-]nc43)CC2)c(F)c1	ZINC000503466942	561642201	/nfs/dbraw/zinc/64/22/01/561642201.db2.gz	ZLEXXURVHCDKJW-UHFFFAOYSA-N	-1	3	368.347	2.070	20	30		FEEDHM
C[C@H](COCC(F)(F)F)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl	ZINC000503479475	561642466	/nfs/dbraw/zinc/64/24/66/561642466.db2.gz	ZZMDFMVMSBGRPK-MRVPVSSYSA-N	-1	3	356.753	2.457	20	30		FEEDHM
N#Cc1cc2c(nc1NCC[N-]S(=O)(=O)c1cccs1)CCCC2	ZINC000301924812	553692542	/nfs/dbraw/zinc/69/25/42/553692542.db2.gz	MENBZVKSOYDFML-UHFFFAOYSA-N	-1	3	362.480	2.284	20	30		FEEDHM
COCC(=O)N1CCc2c1cccc2[N-]c1nccc(C#N)c1[N+](=O)[O-]	ZINC000302165058	553708110	/nfs/dbraw/zinc/70/81/10/553708110.db2.gz	ZRQVSNXVYSLRFO-UHFFFAOYSA-N	-1	3	353.338	2.141	20	30		FEEDHM
C=CCC[C@H](CO)[N-]S(=O)(=O)c1cc(Br)ccc1OC	ZINC000315701876	553760811	/nfs/dbraw/zinc/76/08/11/553760811.db2.gz	BBASWSWSWPLMRO-LLVKDONJSA-N	-1	3	364.261	2.063	20	30		FEEDHM
O=C(CC[C@@H]1CCOC1)Nc1cc(N2CCCS2(=O)=O)ccc1[O-]	ZINC000328882326	553838026	/nfs/dbraw/zinc/83/80/26/553838026.db2.gz	LTPHDYDDSDTKNK-GFCCVEGCSA-N	-1	3	354.428	2.337	20	30		FEEDHM
Cc1ccc(NC(=O)NC(=O)[C@@H](C)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)c(C)c1	ZINC000329462906	553951083	/nfs/dbraw/zinc/95/10/83/553951083.db2.gz	UDAGYEYTZSYUIU-OCCSQVGLSA-N	-1	3	373.413	2.270	20	30		FEEDHM
C[C@]1(C[C@@H]2CCCN2C(=O)N[C@@H]2CCOC3(CCC3)C2)NC(=O)[N-]C1=O	ZINC000329534937	553963536	/nfs/dbraw/zinc/96/35/36/553963536.db2.gz	LAWSKLXPGMCREY-IIYDPXPESA-N	-1	3	364.446	2.499	20	30		FEEDHM
CC1CCC(NC(=O)CN2CCN(C(=O)c3csc(=O)[n-]3)CC2)CC1	ZINC000329914974	554031073	/nfs/dbraw/zinc/03/10/73/554031073.db2.gz	PJEURNIBIJEOTO-UHFFFAOYSA-N	-1	3	366.487	2.142	20	30		FEEDHM
N#CC1(CS(=O)(=O)[N-][C@H]2CCCN(C3CCCCC3)C2=O)CCCC1	ZINC000333118492	554574890	/nfs/dbraw/zinc/57/48/90/554574890.db2.gz	UPKNDVURQPXLSX-INIZCTEOSA-N	-1	3	367.515	2.313	20	30		FEEDHM
C=CCCCNC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl	ZINC000511951417	561886562	/nfs/dbraw/zinc/88/65/62/561886562.db2.gz	FGWQPAGLBUYYEA-UHFFFAOYSA-N	-1	3	363.842	2.023	20	30		FEEDHM
C[C@H](C[N-]S(=O)(=O)c1cccnc1C#N)c1nc(-c2ccccc2)no1	ZINC000365402774	555565634	/nfs/dbraw/zinc/56/56/34/555565634.db2.gz	DAEXBTIXZYTNAK-GFCCVEGCSA-N	-1	3	369.406	2.085	20	30		FEEDHM
N#Cc1ncn(-c2ccccc2NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)n1	ZINC000366448627	555846940	/nfs/dbraw/zinc/84/69/40/555846940.db2.gz	DEVWCBFVGXSTQZ-UHFFFAOYSA-N	-1	3	374.320	2.176	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H]3CCCC[C@H]32)ccc1F	ZINC000368312627	556275960	/nfs/dbraw/zinc/27/59/60/556275960.db2.gz	OGVAWPRLNSQLTC-UKRRQHHQSA-N	-1	3	352.431	2.305	20	30		FEEDHM
CC(C)Cn1c(=O)[n-]c(=O)c2c(C(=O)N(C)CCC#N)cc(C3CC3)nc21	ZINC000516330299	562040117	/nfs/dbraw/zinc/04/01/17/562040117.db2.gz	OPGDEDVDPTWOSY-UHFFFAOYSA-N	-1	3	369.425	2.016	20	30		FEEDHM
C=C(C)C[C@H](C)C(=O)N1CCC[C@@H](c2n[nH]cc2[N-]S(C)(=O)=O)C1	ZINC000373361693	557679335	/nfs/dbraw/zinc/67/93/35/557679335.db2.gz	LNITULHFWWJFMR-QWHCGFSZSA-N	-1	3	354.476	2.090	20	30		FEEDHM
C=C(C)C[C@H](C)C(=O)N1CCC[C@@H](c2[nH]ncc2[N-]S(C)(=O)=O)C1	ZINC000373361693	557679336	/nfs/dbraw/zinc/67/93/36/557679336.db2.gz	LNITULHFWWJFMR-QWHCGFSZSA-N	-1	3	354.476	2.090	20	30		FEEDHM
CS(=O)(=O)[N-]c1c[nH]nc1[C@H]1CCCN(c2ccc(F)cc2C#N)C1	ZINC000373552290	557716701	/nfs/dbraw/zinc/71/67/01/557716701.db2.gz	PUKZZTMPUQSZQD-NSHDSACASA-N	-1	3	363.418	2.176	20	30		FEEDHM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-]	ZINC000373827280	557768009	/nfs/dbraw/zinc/76/80/09/557768009.db2.gz	TYGOHZHEEAWIFK-LESCRADOSA-N	-1	3	358.438	2.094	20	30		FEEDHM
N#Cc1ccc(C(=O)NCC2(O)CCN(Cc3ccccc3)CC2)cc1[O-]	ZINC000412782370	559056011	/nfs/dbraw/zinc/05/60/11/559056011.db2.gz	VUQXLLBCVQKEHH-UHFFFAOYSA-N	-1	3	365.433	2.021	20	30		FEEDHM
C=CCN(C(=O)c1[nH]c(=O)[n-]c(=O)c1OC)c1nc2c(s1)CCCC2	ZINC000416168893	559296061	/nfs/dbraw/zinc/29/60/61/559296061.db2.gz	AYBGZVJBMMOHHB-UHFFFAOYSA-N	-1	3	362.411	2.065	20	30		FEEDHM
COC(=O)[C@@H](CNC(=O)c1ccc(C#N)cc1C)Cc1ccc([O-])c(F)c1	ZINC000422032974	559561851	/nfs/dbraw/zinc/56/18/51/559561851.db2.gz	AVFDEHCOAPKCLO-OAHLLOKOSA-N	-1	3	370.380	2.473	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC(=O)c1c(F)cccc1F	ZINC000424897526	559679556	/nfs/dbraw/zinc/67/95/56/559679556.db2.gz	WCGJJVJZMJUVQG-UHFFFAOYSA-N	-1	3	373.359	2.486	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-]CCOc1ccccc1C(F)(F)F	ZINC000428253556	559772416	/nfs/dbraw/zinc/77/24/16/559772416.db2.gz	REINNCJTHVPOID-UHFFFAOYSA-N	-1	3	371.340	2.329	20	30		FEEDHM
CC(C)[C@@H]([N-]S(=O)(=O)c1cccnc1C#N)c1ccc2c(c1)OCCO2	ZINC000428261569	559772560	/nfs/dbraw/zinc/77/25/60/559772560.db2.gz	QCBSPAGCIVECER-GOSISDBHSA-N	-1	3	373.434	2.400	20	30		FEEDHM
CCC[C@@H](C)C(=O)NCC[N-]S(=O)(=O)c1ccc(C#N)cc1Cl	ZINC000431632739	559842978	/nfs/dbraw/zinc/84/29/78/559842978.db2.gz	IOFYADCWYXZJDI-LLVKDONJSA-N	-1	3	357.863	2.042	20	30		FEEDHM
Cc1cnccc1[N-]S(=O)(=O)c1ccc(C#N)c(Br)c1	ZINC000432949856	559868470	/nfs/dbraw/zinc/86/84/70/559868470.db2.gz	NBRZLNBZLKXJEV-UHFFFAOYSA-N	-1	3	352.213	2.247	20	30		FEEDHM
C=C(C)CS(=O)(=O)[N-]Cc1nc(-c2cccc(Br)c2)no1	ZINC000435430320	559922724	/nfs/dbraw/zinc/92/27/24/559922724.db2.gz	AEQIOSVDZZKZLA-UHFFFAOYSA-N	-1	3	372.244	2.495	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]C[C@]2(O)CCC[C@@H](C(F)(F)F)C2)s1	ZINC000435441655	559923288	/nfs/dbraw/zinc/92/32/88/559923288.db2.gz	GVENSOYUCUXJII-SKDRFNHKSA-N	-1	3	368.402	2.382	20	30		FEEDHM
CCN(CC[N-]S(=O)(=O)c1ccc(C#N)s1)CCC(F)(F)F	ZINC000435444487	559923362	/nfs/dbraw/zinc/92/33/62/559923362.db2.gz	XZHOWVBIBPEGPM-UHFFFAOYSA-N	-1	3	355.407	2.172	20	30		FEEDHM
CCn1c(=O)[n-]c(=O)c2c(C(=O)NCC3(CC#N)CC3)cc(C(C)C)nc21	ZINC000435956197	559933126	/nfs/dbraw/zinc/93/31/26/559933126.db2.gz	GKRHEKNPGDUJOQ-UHFFFAOYSA-N	-1	3	369.425	2.064	20	30		FEEDHM
Cc1ccc(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c([O-])c1C	ZINC000436731230	559950114	/nfs/dbraw/zinc/95/01/14/559950114.db2.gz	BLBXJHONSUACJA-SFHVURJKSA-N	-1	3	363.417	2.412	20	30		FEEDHM
C=C(C)C[C@@H](C)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F	ZINC000441386394	560030961	/nfs/dbraw/zinc/03/09/61/560030961.db2.gz	DZVQDKKWEFGURJ-LLVKDONJSA-N	-1	3	362.854	2.476	20	30		FEEDHM
C[C@@H]1Cc2ccccc2N1CC[N-]S(=O)(=O)c1ccc(F)cc1C#N	ZINC000443036215	560067106	/nfs/dbraw/zinc/06/71/06/560067106.db2.gz	WUQUKPHAQLJARA-CYBMUJFWSA-N	-1	3	359.426	2.427	20	30		FEEDHM
N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CC(=O)Nc1cccc(F)c1	ZINC000443040208	560067380	/nfs/dbraw/zinc/06/73/80/560067380.db2.gz	UYWMTWBUWKVGOI-UHFFFAOYSA-N	-1	3	367.789	2.268	20	30		FEEDHM
CCc1nc(C(C)(C)[N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)no1	ZINC000443154713	560072793	/nfs/dbraw/zinc/07/27/93/560072793.db2.gz	HELXRPSXCCZHJB-UHFFFAOYSA-N	-1	3	354.819	2.371	20	30		FEEDHM
CC(C)[C@](C)(O)C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000443292169	560078108	/nfs/dbraw/zinc/07/81/08/560078108.db2.gz	BXFYPAMJYNATIY-CYBMUJFWSA-N	-1	3	350.362	2.262	20	30		FEEDHM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]Cc1ccc2c(n1)CCCC2	ZINC000443933781	560096662	/nfs/dbraw/zinc/09/66/62/560096662.db2.gz	HZBZZHPCUSGBGF-UHFFFAOYSA-N	-1	3	372.406	2.219	20	30		FEEDHM
N#Cc1nnc2ccccc2c1N1CCN(C(=O)c2ccc([O-])cc2)CC1	ZINC000443940810	560096921	/nfs/dbraw/zinc/09/69/21/560096921.db2.gz	UOYFDKWKLQQAFR-UHFFFAOYSA-N	-1	3	359.389	2.169	20	30		FEEDHM
C=CCN(CC=C)[C@@H](C[N-]S(=O)(=O)c1cn(CC)c(C)n1)C(C)C	ZINC000444108619	560102160	/nfs/dbraw/zinc/10/21/60/560102160.db2.gz	DATUSAYPFWJIJS-INIZCTEOSA-N	-1	3	354.520	2.188	20	30		FEEDHM
C[C@H]1C[C@@]1(C#N)C(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1	ZINC000448596086	560191948	/nfs/dbraw/zinc/19/19/48/560191948.db2.gz	KDMKAHNAOVUCIF-ZANVPECISA-N	-1	3	361.345	2.015	20	30		FEEDHM
C[C@H]1C[C@]1(C#N)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1	ZINC000449978337	560246966	/nfs/dbraw/zinc/24/69/66/560246966.db2.gz	MKGPWCYJUJSXQQ-MGPLVRAMSA-N	-1	3	353.419	2.391	20	30		FEEDHM
C=CCc1ccccc1OC[C@@H](O)CN1CCC[C@@H](c2n[n-]c(=O)o2)C1	ZINC000450911304	560278141	/nfs/dbraw/zinc/27/81/41/560278141.db2.gz	WQZDNRMRBRDJJT-CVEARBPZSA-N	-1	3	359.426	2.123	20	30		FEEDHM
CN(C)Cc1ccc(S(=O)(=O)[N-]c2nc3c(cc2C#N)CCC3)cc1	ZINC000451025106	560283103	/nfs/dbraw/zinc/28/31/03/560283103.db2.gz	YEVREAFSKZEQLC-UHFFFAOYSA-N	-1	3	356.451	2.304	20	30		FEEDHM
CC(C)c1nnc(C[N-]S(=O)(=O)c2ccc(CC#N)cc2Cl)n1C	ZINC000451388371	560303948	/nfs/dbraw/zinc/30/39/48/560303948.db2.gz	KIOMNPJBCFNRAA-UHFFFAOYSA-N	-1	3	367.862	2.136	20	30		FEEDHM
CC1(C)COC[C@H]1[N-]S(=O)(=O)c1cccc(Br)c1C#N	ZINC000451985385	560342618	/nfs/dbraw/zinc/34/26/18/560342618.db2.gz	WRSYNIGWAUSNLQ-GFCCVEGCSA-N	-1	3	359.245	2.024	20	30		FEEDHM
CC(C)(C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)C1(O)CCCC1	ZINC000452039491	560347131	/nfs/dbraw/zinc/34/71/31/560347131.db2.gz	BZAWFYWIHNNHIW-UHFFFAOYSA-N	-1	3	367.427	2.076	20	30		FEEDHM
CCOC(=O)[C@@H]1CCC[C@@H]1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C	ZINC000456435876	560520475	/nfs/dbraw/zinc/52/04/75/560520475.db2.gz	GAPCQMUMPTVIHP-ZBFHGGJFSA-N	-1	3	359.426	2.056	20	30		FEEDHM
C=CCN(Cc1cccc([O-])c1Br)[C@@H]1CCS(=O)(=O)C1	ZINC000459322471	560679595	/nfs/dbraw/zinc/67/95/95/560679595.db2.gz	HFWSZFFYZKZGBD-GFCCVEGCSA-N	-1	3	360.273	2.330	20	30		FEEDHM
Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)CNc2ccc(C#N)cc2)c1	ZINC000461029074	560759809	/nfs/dbraw/zinc/75/98/09/560759809.db2.gz	RLTOOIBJKOXUFE-UHFFFAOYSA-N	-1	3	358.423	2.289	20	30		FEEDHM
CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@@H]2CCC[C@@H]2C#N)cc1OC	ZINC000461436677	560771518	/nfs/dbraw/zinc/77/15/18/560771518.db2.gz	PWUNQGIPIMAMPB-DGCLKSJQSA-N	-1	3	366.443	2.271	20	30		FEEDHM
N#Cc1cccnc1-n1cc(NC(=O)c2c[n-]nc2-c2ccncc2)cn1	ZINC000461757370	560781785	/nfs/dbraw/zinc/78/17/85/560781785.db2.gz	QKRQOFFRDJNVOH-UHFFFAOYSA-N	-1	3	356.349	2.176	20	30		FEEDHM
N#Cc1cccnc1-n1cc(NC(=O)c2cn[n-]c2-c2ccncc2)cn1	ZINC000461757370	560781787	/nfs/dbraw/zinc/78/17/87/560781787.db2.gz	QKRQOFFRDJNVOH-UHFFFAOYSA-N	-1	3	356.349	2.176	20	30		FEEDHM
CN(C)C1(C[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)CCCCC1	ZINC000467139471	560904546	/nfs/dbraw/zinc/90/45/46/560904546.db2.gz	SUVRWRLIRUZDAI-UHFFFAOYSA-N	-1	3	357.426	2.379	20	30		FEEDHM
C=CCN(Cc1nc(CC)cc(=O)[n-]1)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000468268155	560925965	/nfs/dbraw/zinc/92/59/65/560925965.db2.gz	OUYZONKGJMCEIS-AWEZNQCLSA-N	-1	3	365.441	2.470	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H]1CCN1C1CCCC1	ZINC000530026629	562395047	/nfs/dbraw/zinc/39/50/47/562395047.db2.gz	MMHQIQMPCRNAQG-MRXNPFEDSA-N	-1	3	356.470	2.341	20	30		FEEDHM
N#Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)c(Cl)c1	ZINC000532614083	562483206	/nfs/dbraw/zinc/48/32/06/562483206.db2.gz	TYXRBHZGIRJSEI-UHFFFAOYSA-N	-1	3	363.782	2.343	20	30		FEEDHM
N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CCc1cnc(C2CC2)nc1	ZINC000534412683	562533690	/nfs/dbraw/zinc/53/36/90/562533690.db2.gz	YJKVAYUJYDIPBV-UHFFFAOYSA-N	-1	3	362.842	2.400	20	30		FEEDHM
Cn1c2ccccc2nc1C(C#N)=C([O-])c1cncc(N2CCOCC2)c1	ZINC000534583132	562537389	/nfs/dbraw/zinc/53/73/89/562537389.db2.gz	UQWXDDBWLBRSIC-MRXNPFEDSA-N	-1	3	361.405	2.295	20	30		FEEDHM
COc1cc2c(cc1F)[n-]cc(C(=O)NCc1cccc(C#N)c1)c2=O	ZINC000537021355	562584113	/nfs/dbraw/zinc/58/41/13/562584113.db2.gz	RUXSQZIEUPFJLG-UHFFFAOYSA-N	-1	3	351.337	2.477	20	30		FEEDHM
CO[C@@H](C[N-]S(=O)(=O)c1cccc(Br)c1C#N)C(C)C	ZINC000570115201	568452133	/nfs/dbraw/zinc/45/21/33/568452133.db2.gz	IXOSKBXVWNFZEM-LBPRGKRZSA-N	-1	3	361.261	2.270	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2ccn(-c3cccc(F)c3)n2)cc1-c1nnn[n-]1	ZINC000737719494	598919375	/nfs/dbraw/zinc/91/93/75/598919375.db2.gz	QUEMZEWPSXYJBA-UHFFFAOYSA-N	-1	3	374.339	2.315	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2ccn(-c3cccc(F)c3)n2)cc1-c1nn[n-]n1	ZINC000737719494	598919377	/nfs/dbraw/zinc/91/93/77/598919377.db2.gz	QUEMZEWPSXYJBA-UHFFFAOYSA-N	-1	3	374.339	2.315	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2cncc(Br)c2)cc1-c1nnn[n-]1	ZINC000737719759	598919649	/nfs/dbraw/zinc/91/96/49/598919649.db2.gz	VQTUJHOMMLEBQX-UHFFFAOYSA-N	-1	3	370.170	2.148	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2cncc(Br)c2)cc1-c1nn[n-]n1	ZINC000737719759	598919651	/nfs/dbraw/zinc/91/96/51/598919651.db2.gz	VQTUJHOMMLEBQX-UHFFFAOYSA-N	-1	3	370.170	2.148	20	30		FEEDHM
C#CCOc1ccccc1CNC(=O)CCc1ccc(-c2nnn[n-]2)cc1	ZINC000735387822	598926802	/nfs/dbraw/zinc/92/68/02/598926802.db2.gz	HCZCJVXFGQVFOY-UHFFFAOYSA-N	-1	3	361.405	2.128	20	30		FEEDHM
C#CCOc1ccccc1CNC(=O)CCc1ccc(-c2nn[n-]n2)cc1	ZINC000735387822	598926803	/nfs/dbraw/zinc/92/68/03/598926803.db2.gz	HCZCJVXFGQVFOY-UHFFFAOYSA-N	-1	3	361.405	2.128	20	30		FEEDHM
COc1cc(-c2nnn[n-]2)ccc1OCCSc1ccc(C#N)cn1	ZINC000737033604	598939054	/nfs/dbraw/zinc/93/90/54/598939054.db2.gz	ZADXXKLHYPEMRX-UHFFFAOYSA-N	-1	3	354.395	2.313	20	30		FEEDHM
COc1cc(-c2nn[n-]n2)ccc1OCCSc1ccc(C#N)cn1	ZINC000737033604	598939055	/nfs/dbraw/zinc/93/90/55/598939055.db2.gz	ZADXXKLHYPEMRX-UHFFFAOYSA-N	-1	3	354.395	2.313	20	30		FEEDHM
C#CCOc1ccccc1CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-]	ZINC000735387979	598943810	/nfs/dbraw/zinc/94/38/10/598943810.db2.gz	NEOWKHZRLVKQKQ-UHFFFAOYSA-N	-1	3	350.338	2.399	20	30		FEEDHM
C#CCOc1ccccc1CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-]	ZINC000735387979	598943811	/nfs/dbraw/zinc/94/38/11/598943811.db2.gz	NEOWKHZRLVKQKQ-UHFFFAOYSA-N	-1	3	350.338	2.399	20	30		FEEDHM
Cc1cc(C)c(-c2nnn[n-]2)c(S[C@H](C(N)=O)c2ccc(C#N)cc2)n1	ZINC000737241406	599011485	/nfs/dbraw/zinc/01/14/85/599011485.db2.gz	PUFDINGRVWGSNP-AWEZNQCLSA-N	-1	3	365.422	2.069	20	30		FEEDHM
Cc1cc(C)c(-c2nn[n-]n2)c(S[C@H](C(N)=O)c2ccc(C#N)cc2)n1	ZINC000737241406	599011487	/nfs/dbraw/zinc/01/14/87/599011487.db2.gz	PUFDINGRVWGSNP-AWEZNQCLSA-N	-1	3	365.422	2.069	20	30		FEEDHM
COc1ccc(CN=Nc2oc(C(C)(C)C)nc2C#N)cc1-c1nnn[n-]1	ZINC000737082760	599129257	/nfs/dbraw/zinc/12/92/57/599129257.db2.gz	JKIMOXITWICCOL-UHFFFAOYSA-N	-1	3	366.385	2.478	20	30		FEEDHM
COc1ccc(CN=Nc2oc(C(C)(C)C)nc2C#N)cc1-c1nn[n-]n1	ZINC000737082760	599129260	/nfs/dbraw/zinc/12/92/60/599129260.db2.gz	JKIMOXITWICCOL-UHFFFAOYSA-N	-1	3	366.385	2.478	20	30		FEEDHM
N#Cc1ccc(-c2nnc(CSc3ccc(-c4nnn[n-]4)cn3)o2)cc1	ZINC000737707913	599165201	/nfs/dbraw/zinc/16/52/01/599165201.db2.gz	AGBIXDCPBPDKHR-UHFFFAOYSA-N	-1	3	362.378	2.476	20	30		FEEDHM
N#Cc1ccc(-c2nnc(CSc3ccc(-c4nn[n-]n4)cn3)o2)cc1	ZINC000737707913	599165203	/nfs/dbraw/zinc/16/52/03/599165203.db2.gz	AGBIXDCPBPDKHR-UHFFFAOYSA-N	-1	3	362.378	2.476	20	30		FEEDHM
C[C@H](Oc1cccc(F)c1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1	ZINC000736183555	599194060	/nfs/dbraw/zinc/19/40/60/599194060.db2.gz	UFCSRVNGIUSFAW-JTQLQIEISA-N	-1	3	352.329	2.283	20	30		FEEDHM
C[C@H](Oc1cccc(F)c1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1	ZINC000736183555	599194062	/nfs/dbraw/zinc/19/40/62/599194062.db2.gz	UFCSRVNGIUSFAW-JTQLQIEISA-N	-1	3	352.329	2.283	20	30		FEEDHM
N#Cc1cc(NC(=O)C(=O)c2ccc(Cl)cc2)ccc1-c1nnn[n-]1	ZINC000737705559	599196202	/nfs/dbraw/zinc/19/62/02/599196202.db2.gz	QHDOOWOYUCNHBD-UHFFFAOYSA-N	-1	3	352.741	2.213	20	30		FEEDHM
N#Cc1cc(NC(=O)C(=O)c2ccc(Cl)cc2)ccc1-c1nn[n-]n1	ZINC000737705559	599196203	/nfs/dbraw/zinc/19/62/03/599196203.db2.gz	QHDOOWOYUCNHBD-UHFFFAOYSA-N	-1	3	352.741	2.213	20	30		FEEDHM
C=CCCCCCN(C)C(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1C	ZINC000819740113	607277230	/nfs/dbraw/zinc/27/72/30/607277230.db2.gz	POJSZYXLTIOKOS-UHFFFAOYSA-N	-1	3	356.430	2.318	20	30		FEEDHM
C=CCCCCCN(C)C(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1C	ZINC000819740113	607277231	/nfs/dbraw/zinc/27/72/31/607277231.db2.gz	POJSZYXLTIOKOS-UHFFFAOYSA-N	-1	3	356.430	2.318	20	30		FEEDHM
O=C(Nc1ccncc1-c1nnn[n-]1)c1ccc(C#Cc2ccccc2)cc1	ZINC000738196254	599253578	/nfs/dbraw/zinc/25/35/78/599253578.db2.gz	UZKLLFFWGVPBEF-UHFFFAOYSA-N	-1	3	366.384	2.336	20	30		FEEDHM
O=C(Nc1ccncc1-c1nn[n-]n1)c1ccc(C#Cc2ccccc2)cc1	ZINC000738196254	599253580	/nfs/dbraw/zinc/25/35/80/599253580.db2.gz	UZKLLFFWGVPBEF-UHFFFAOYSA-N	-1	3	366.384	2.336	20	30		FEEDHM
C[C@H](NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1ccc(C#N)cc1	ZINC000820366439	599259194	/nfs/dbraw/zinc/25/91/94/599259194.db2.gz	OHPQIPRXMOCWES-NSHDSACASA-N	-1	3	365.372	2.438	20	30		FEEDHM
C[C@H](NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1ccc(C#N)cc1	ZINC000820366439	599259196	/nfs/dbraw/zinc/25/91/96/599259196.db2.gz	OHPQIPRXMOCWES-NSHDSACASA-N	-1	3	365.372	2.438	20	30		FEEDHM
CCC(CC)CN(CCC#N)C(=O)COc1ccccc1-c1nnn[n-]1	ZINC000736337269	598238967	/nfs/dbraw/zinc/23/89/67/598238967.db2.gz	JGVGAACCEYWPFM-UHFFFAOYSA-N	-1	3	356.430	2.424	20	30		FEEDHM
CCC(CC)CN(CCC#N)C(=O)COc1ccccc1-c1nn[n-]n1	ZINC000736337269	598238969	/nfs/dbraw/zinc/23/89/69/598238969.db2.gz	JGVGAACCEYWPFM-UHFFFAOYSA-N	-1	3	356.430	2.424	20	30		FEEDHM
N#Cc1cccnc1N1CCN(c2ccc(-c3nnn[n-]3)c(Cl)c2)CC1	ZINC000737727191	598275738	/nfs/dbraw/zinc/27/57/38/598275738.db2.gz	FTRWFGMKRMLMLW-UHFFFAOYSA-N	-1	3	366.816	2.113	20	30		FEEDHM
N#Cc1cccnc1N1CCN(c2ccc(-c3nn[n-]n3)c(Cl)c2)CC1	ZINC000737727191	598275740	/nfs/dbraw/zinc/27/57/40/598275740.db2.gz	FTRWFGMKRMLMLW-UHFFFAOYSA-N	-1	3	366.816	2.113	20	30		FEEDHM
CCC[C@@H](C#N)NC(=O)CSc1nc(C)c(C)c(C)c1-c1nnn[n-]1	ZINC000736416936	598331580	/nfs/dbraw/zinc/33/15/80/598331580.db2.gz	PJPVFIQCJHNVFW-LBPRGKRZSA-N	-1	3	359.459	2.088	20	30		FEEDHM
CCC[C@@H](C#N)NC(=O)CSc1nc(C)c(C)c(C)c1-c1nn[n-]n1	ZINC000736416936	598331582	/nfs/dbraw/zinc/33/15/82/598331582.db2.gz	PJPVFIQCJHNVFW-LBPRGKRZSA-N	-1	3	359.459	2.088	20	30		FEEDHM
COc1cc(C#N)cc(Cl)c1OC(=O)c1ccc(-c2nnn[n-]2)cn1	ZINC000737034794	598438453	/nfs/dbraw/zinc/43/84/53/598438453.db2.gz	LGXJAYZQRHMBFE-UHFFFAOYSA-N	-1	3	356.729	2.015	20	30		FEEDHM
COc1cc(C#N)cc(Cl)c1OC(=O)c1ccc(-c2nn[n-]n2)cn1	ZINC000737034794	598438454	/nfs/dbraw/zinc/43/84/54/598438454.db2.gz	LGXJAYZQRHMBFE-UHFFFAOYSA-N	-1	3	356.729	2.015	20	30		FEEDHM
O=C1CN(N=Cc2cc(Br)cc(Br)c2)C(=O)[N-]1	ZINC000807960510	674436169	/nfs/dbraw/zinc/43/61/69/674436169.db2.gz	VGDVSDMDOGTSLF-UHFFFAOYSA-N	-1	3	360.993	2.097	20	30		FEEDHM
N#Cc1cn(CCOc2cccc(-c3nnn[n-]3)c2)c2ccccc2c1=O	ZINC000737728836	598504169	/nfs/dbraw/zinc/50/41/69/598504169.db2.gz	WXQCGHBCORCCDZ-UHFFFAOYSA-N	-1	3	358.361	2.132	20	30		FEEDHM
N#Cc1cn(CCOc2cccc(-c3nn[n-]n3)c2)c2ccccc2c1=O	ZINC000737728836	598504170	/nfs/dbraw/zinc/50/41/70/598504170.db2.gz	WXQCGHBCORCCDZ-UHFFFAOYSA-N	-1	3	358.361	2.132	20	30		FEEDHM
CC[C@](C)(C#N)NC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1	ZINC000736314617	598549702	/nfs/dbraw/zinc/54/97/02/598549702.db2.gz	SJCMZBGAGYYUDZ-GOSISDBHSA-N	-1	3	366.381	2.461	20	30		FEEDHM
N#Cc1cccc(COC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)c1	ZINC000737730028	598620697	/nfs/dbraw/zinc/62/06/97/598620697.db2.gz	DNLYMDWBDGMGBH-GOSISDBHSA-N	-1	3	374.404	2.451	20	30		FEEDHM
Cc1c(C(=O)C=Cc2cnn3ccccc23)c(-c2nnn[n-]2)c2n1CCC2	ZINC000737203779	598639401	/nfs/dbraw/zinc/63/94/01/598639401.db2.gz	WCTSJSHOMNQKFJ-BQYQJAHWSA-N	-1	3	359.393	2.467	20	30		FEEDHM
Cc1c(C(=O)C=Cc2cnn3ccccc23)c(-c2nn[n-]n2)c2n1CCC2	ZINC000737203779	598639403	/nfs/dbraw/zinc/63/94/03/598639403.db2.gz	WCTSJSHOMNQKFJ-BQYQJAHWSA-N	-1	3	359.393	2.467	20	30		FEEDHM
C#Cc1cccc(N(C)C(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)c1	ZINC000735389752	598659647	/nfs/dbraw/zinc/65/96/47/598659647.db2.gz	IESFQINYHMCWOD-IBGZPJMESA-N	-1	3	372.432	2.480	20	30		FEEDHM
NC(=NOCCCOc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1	ZINC000737732326	598698640	/nfs/dbraw/zinc/69/86/40/598698640.db2.gz	YNKQAZUVUYHAAV-UHFFFAOYSA-N	-1	3	356.361	2.112	20	30		FEEDHM
N#Cc1cn(CCOc2ccccc2-c2nnn[n-]2)c2ccccc2c1=O	ZINC000737727797	598720021	/nfs/dbraw/zinc/72/00/21/598720021.db2.gz	AWNBSVQXSIELQU-UHFFFAOYSA-N	-1	3	358.361	2.132	20	30		FEEDHM
N#Cc1cn(CCOc2ccccc2-c2nn[n-]n2)c2ccccc2c1=O	ZINC000737727797	598720025	/nfs/dbraw/zinc/72/00/25/598720025.db2.gz	AWNBSVQXSIELQU-UHFFFAOYSA-N	-1	3	358.361	2.132	20	30		FEEDHM
N#CCCN(Cc1ccccn1)C(=O)C=Cc1ccccc1-c1nnn[n-]1	ZINC000737694949	598753586	/nfs/dbraw/zinc/75/35/86/598753586.db2.gz	QRAHEPZUFZUEKG-KTKRTIGZSA-N	-1	3	359.393	2.217	20	30		FEEDHM
N#CCCN(Cc1ccccn1)C(=O)C=Cc1ccccc1-c1nn[n-]n1	ZINC000737694949	598753587	/nfs/dbraw/zinc/75/35/87/598753587.db2.gz	QRAHEPZUFZUEKG-KTKRTIGZSA-N	-1	3	359.393	2.217	20	30		FEEDHM
C[C@@H](C#N)CN(C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F	ZINC000735502947	598781402	/nfs/dbraw/zinc/78/14/02/598781402.db2.gz	HSIYAMULVVRRJI-QMMMGPOBSA-N	-1	3	351.317	2.091	20	30		FEEDHM
C[C@@H](C#N)CN(C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F	ZINC000735502947	598781403	/nfs/dbraw/zinc/78/14/03/598781403.db2.gz	HSIYAMULVVRRJI-QMMMGPOBSA-N	-1	3	351.317	2.091	20	30		FEEDHM
Cc1cc(C#N)cc(C)c1OS(=O)(=O)c1cccc(-c2nnn[n-]2)c1	ZINC000822160297	599360111	/nfs/dbraw/zinc/36/01/11/599360111.db2.gz	GRBMEPSDYNTFBC-UHFFFAOYSA-N	-1	3	355.379	2.123	20	30		FEEDHM
Cc1cc(C#N)cc(C)c1OS(=O)(=O)c1cccc(-c2nn[n-]n2)c1	ZINC000822160297	599360113	/nfs/dbraw/zinc/36/01/13/599360113.db2.gz	GRBMEPSDYNTFBC-UHFFFAOYSA-N	-1	3	355.379	2.123	20	30		FEEDHM
C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@@H](C)c1cccc(C#N)c1	ZINC000820542867	599509649	/nfs/dbraw/zinc/50/96/49/599509649.db2.gz	RSTUDLDULGURMK-QWHCGFSZSA-N	-1	3	362.393	2.383	20	30		FEEDHM
C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@@H](C)c1cccc(C#N)c1	ZINC000820542867	599509650	/nfs/dbraw/zinc/50/96/50/599509650.db2.gz	RSTUDLDULGURMK-QWHCGFSZSA-N	-1	3	362.393	2.383	20	30		FEEDHM
C[C@H](NC(=O)Cc1ccc(OCC#N)cc1)c1cccc(-c2nnn[n-]2)c1	ZINC000820335117	599536158	/nfs/dbraw/zinc/53/61/58/599536158.db2.gz	SQQRWENYQFUUSY-ZDUSSCGKSA-N	-1	3	362.393	2.189	20	30		FEEDHM
C[C@H](NC(=O)Cc1ccc(OCC#N)cc1)c1cccc(-c2nn[n-]n2)c1	ZINC000820335117	599536161	/nfs/dbraw/zinc/53/61/61/599536161.db2.gz	SQQRWENYQFUUSY-ZDUSSCGKSA-N	-1	3	362.393	2.189	20	30		FEEDHM
C=CCN(CC=C)S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1	ZINC000735418380	599593304	/nfs/dbraw/zinc/59/33/04/599593304.db2.gz	CEEBBISADFOUBC-UHFFFAOYSA-N	-1	3	373.360	2.248	20	30		FEEDHM
N#Cc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cn1	ZINC000822822752	599633018	/nfs/dbraw/zinc/63/30/18/599633018.db2.gz	DVBRBJJYDMVBBM-UHFFFAOYSA-N	-1	3	359.271	2.404	20	30		FEEDHM
N#Cc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cn1	ZINC000822822752	599633019	/nfs/dbraw/zinc/63/30/19/599633019.db2.gz	DVBRBJJYDMVBBM-UHFFFAOYSA-N	-1	3	359.271	2.404	20	30		FEEDHM
N#Cc1ccc(C=C2N=C(c3ccc(-c4nnn[n-]4)cc3)OC2=O)c(F)c1	ZINC000822826067	607455524	/nfs/dbraw/zinc/45/55/24/607455524.db2.gz	TZVIWQDORYVVJI-NVNXTCNLSA-N	-1	3	360.308	2.222	20	30		FEEDHM
N#Cc1ccc(C=C2N=C(c3ccc(-c4nn[n-]n4)cc3)OC2=O)c(F)c1	ZINC000822826067	607455526	/nfs/dbraw/zinc/45/55/26/607455526.db2.gz	TZVIWQDORYVVJI-NVNXTCNLSA-N	-1	3	360.308	2.222	20	30		FEEDHM
N#Cc1ccc2nc(NC(=O)CCc3ccc(-c4nnn[n-]4)cc3)ncc2c1	ZINC000826385873	607468086	/nfs/dbraw/zinc/46/80/86/607468086.db2.gz	GALNGEMXDCXWMK-UHFFFAOYSA-N	-1	3	370.376	2.253	20	30		FEEDHM
N#Cc1ccc2nc(NC(=O)CCc3ccc(-c4nn[n-]n4)cc3)ncc2c1	ZINC000826385873	607468088	/nfs/dbraw/zinc/46/80/88/607468088.db2.gz	GALNGEMXDCXWMK-UHFFFAOYSA-N	-1	3	370.376	2.253	20	30		FEEDHM
CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1	ZINC000830608892	600914114	/nfs/dbraw/zinc/91/41/14/600914114.db2.gz	JUOUSTDXISCMJC-QZTJIDSGSA-N	-1	3	357.454	2.339	20	30		FEEDHM
COc1ccc(CSc2nc(C)nc(C)c2C#N)cc1-c1nnn[n-]1	ZINC000826207896	607544328	/nfs/dbraw/zinc/54/43/28/607544328.db2.gz	JTWHGMJGAOUJPG-UHFFFAOYSA-N	-1	3	353.411	2.446	20	30		FEEDHM
COc1ccc(CSc2nc(C)nc(C)c2C#N)cc1-c1nn[n-]n1	ZINC000826207896	607544329	/nfs/dbraw/zinc/54/43/29/607544329.db2.gz	JTWHGMJGAOUJPG-UHFFFAOYSA-N	-1	3	353.411	2.446	20	30		FEEDHM
C=C(C)CN1CCC(NC(=O)NCc2ccc(CCNC(=O)[O-])cc2)CC1	ZINC000738485753	602678502	/nfs/dbraw/zinc/67/85/02/602678502.db2.gz	QLYIRHSDEGYOJT-UHFFFAOYSA-N	-1	3	374.485	2.336	20	30		FEEDHM
Cc1cccc(S(=O)(=O)N(CCC#N)CC(C)(C)C)c1-c1nnn[n-]1	ZINC000826300824	607610463	/nfs/dbraw/zinc/61/04/63/607610463.db2.gz	HWRGFUUUHRQCIZ-UHFFFAOYSA-N	-1	3	362.459	2.126	20	30		FEEDHM
Cc1cccc(S(=O)(=O)N(CCC#N)CC(C)(C)C)c1-c1nn[n-]n1	ZINC000826300824	607610465	/nfs/dbraw/zinc/61/04/65/607610465.db2.gz	HWRGFUUUHRQCIZ-UHFFFAOYSA-N	-1	3	362.459	2.126	20	30		FEEDHM
COc1ccc(CNC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1C#N	ZINC000826200568	607618724	/nfs/dbraw/zinc/61/87/24/607618724.db2.gz	WUAVACLVGARNJQ-UHFFFAOYSA-N	-1	3	367.344	2.208	20	30		FEEDHM
COc1ccc(CNC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1C#N	ZINC000826200568	607618726	/nfs/dbraw/zinc/61/87/26/607618726.db2.gz	WUAVACLVGARNJQ-UHFFFAOYSA-N	-1	3	367.344	2.208	20	30		FEEDHM
CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1cc(C#N)cn1C	ZINC000821389980	606212797	/nfs/dbraw/zinc/21/27/97/606212797.db2.gz	SCZHVTLYIJSEEA-UHFFFAOYSA-N	-1	3	372.772	2.348	20	30		FEEDHM
CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1cc(C#N)cn1C	ZINC000821389980	606212798	/nfs/dbraw/zinc/21/27/98/606212798.db2.gz	SCZHVTLYIJSEEA-UHFFFAOYSA-N	-1	3	372.772	2.348	20	30		FEEDHM
N#Cc1ccsc1N1CC[C@H](Nc2cccc(-c3nnn[n-]3)c2)C1=O	ZINC000822842614	606243832	/nfs/dbraw/zinc/24/38/32/606243832.db2.gz	QCWZKZHCQWUECK-ZDUSSCGKSA-N	-1	3	351.395	2.017	20	30		FEEDHM
N#Cc1ccsc1N1CC[C@H](Nc2cccc(-c3nn[n-]n3)c2)C1=O	ZINC000822842614	606243833	/nfs/dbraw/zinc/24/38/33/606243833.db2.gz	QCWZKZHCQWUECK-ZDUSSCGKSA-N	-1	3	351.395	2.017	20	30		FEEDHM
COc1ccc2c(c1)OC(=Cc1cnc3ccc(-c4nnn[n-]4)cn13)C2=O	ZINC000821850150	606429123	/nfs/dbraw/zinc/42/91/23/606429123.db2.gz	XHLARGPRJWZTMP-GIDUJCDVSA-N	-1	3	360.333	2.139	20	30		FEEDHM
COc1ccc2c(c1)OC(=Cc1cnc3ccc(-c4nn[n-]n4)cn13)C2=O	ZINC000821850150	606429125	/nfs/dbraw/zinc/42/91/25/606429125.db2.gz	XHLARGPRJWZTMP-GIDUJCDVSA-N	-1	3	360.333	2.139	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC1CCC(C)(O)CC1	ZINC000819743828	606602492	/nfs/dbraw/zinc/60/24/92/606602492.db2.gz	QNQQKOCYXGDMNW-UHFFFAOYSA-N	-1	3	370.457	2.258	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC1CCC(C)(O)CC1	ZINC000819743828	606602493	/nfs/dbraw/zinc/60/24/93/606602493.db2.gz	QNQQKOCYXGDMNW-UHFFFAOYSA-N	-1	3	370.457	2.258	20	30		FEEDHM
C[C@](C#N)(NC(=O)CSc1ccc(Cl)cc1-c1nnn[n-]1)C1CC1	ZINC000819844857	606629819	/nfs/dbraw/zinc/62/98/19/606629819.db2.gz	MTJPETMRIMVBTP-OAHLLOKOSA-N	-1	3	362.846	2.421	20	30		FEEDHM
C[C@](C#N)(NC(=O)CSc1ccc(Cl)cc1-c1nn[n-]n1)C1CC1	ZINC000819844857	606629821	/nfs/dbraw/zinc/62/98/21/606629821.db2.gz	MTJPETMRIMVBTP-OAHLLOKOSA-N	-1	3	362.846	2.421	20	30		FEEDHM
C[C@@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2)N(C)CCC#N	ZINC000819877105	606633229	/nfs/dbraw/zinc/63/32/29/606633229.db2.gz	OLWGREXATVFTMR-NSHDSACASA-N	-1	3	373.486	2.370	20	30		FEEDHM
C[C@@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2)N(C)CCC#N	ZINC000819877105	606633230	/nfs/dbraw/zinc/63/32/30/606633230.db2.gz	OLWGREXATVFTMR-NSHDSACASA-N	-1	3	373.486	2.370	20	30		FEEDHM
CCc1noc(CC)c1CC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1	ZINC000821552925	606680964	/nfs/dbraw/zinc/68/09/64/606680964.db2.gz	BHNNNXOQTNQEAR-UHFFFAOYSA-N	-1	3	351.370	2.032	20	30		FEEDHM
CCc1noc(CC)c1CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1	ZINC000821552925	606680965	/nfs/dbraw/zinc/68/09/65/606680965.db2.gz	BHNNNXOQTNQEAR-UHFFFAOYSA-N	-1	3	351.370	2.032	20	30		FEEDHM
C=C(C)COCCNC(=O)N(CCC)Cc1ccc(-c2nnn[n-]2)cc1	ZINC000819722390	606799405	/nfs/dbraw/zinc/79/94/05/606799405.db2.gz	IDSSQZKCEVUFSU-UHFFFAOYSA-N	-1	3	358.446	2.381	20	30		FEEDHM
C=C(C)COCCNC(=O)N(CCC)Cc1ccc(-c2nn[n-]n2)cc1	ZINC000819722390	606799407	/nfs/dbraw/zinc/79/94/07/606799407.db2.gz	IDSSQZKCEVUFSU-UHFFFAOYSA-N	-1	3	358.446	2.381	20	30		FEEDHM
N#Cc1ccc(NC(=O)COC/C=C/c2ccccc2)cc1-c1nnn[n-]1	ZINC000822829618	606957627	/nfs/dbraw/zinc/95/76/27/606957627.db2.gz	AIUFVHDDEAHZQP-QPJJXVBHSA-N	-1	3	360.377	2.407	20	30		FEEDHM
N#Cc1ccc(NC(=O)COC/C=C/c2ccccc2)cc1-c1nn[n-]n1	ZINC000822829618	606957629	/nfs/dbraw/zinc/95/76/29/606957629.db2.gz	AIUFVHDDEAHZQP-QPJJXVBHSA-N	-1	3	360.377	2.407	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCc1ccc(F)cn1	ZINC000819745393	606967089	/nfs/dbraw/zinc/96/70/89/606967089.db2.gz	AUWUJOCDQDTZCD-UHFFFAOYSA-N	-1	3	367.388	2.299	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCc1ccc(F)cn1	ZINC000819745393	606967091	/nfs/dbraw/zinc/96/70/91/606967091.db2.gz	AUWUJOCDQDTZCD-UHFFFAOYSA-N	-1	3	367.388	2.299	20	30		FEEDHM
N#Cc1cccc(SCCS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c1	ZINC000822837123	607012257	/nfs/dbraw/zinc/01/22/57/607012257.db2.gz	FWNLKYNHUVJBOH-UHFFFAOYSA-N	-1	3	371.447	2.304	20	30		FEEDHM
N#Cc1cccc(SCCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c1	ZINC000822837123	607012259	/nfs/dbraw/zinc/01/22/59/607012259.db2.gz	FWNLKYNHUVJBOH-UHFFFAOYSA-N	-1	3	371.447	2.304	20	30		FEEDHM
Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1Cc1cc(F)ccc1C#N	ZINC000822505248	607028683	/nfs/dbraw/zinc/02/86/83/607028683.db2.gz	FDZNBTOPIFZJQH-UHFFFAOYSA-N	-1	3	360.356	2.493	20	30		FEEDHM
Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1Cc1cc(F)ccc1C#N	ZINC000822505248	607028684	/nfs/dbraw/zinc/02/86/84/607028684.db2.gz	FDZNBTOPIFZJQH-UHFFFAOYSA-N	-1	3	360.356	2.493	20	30		FEEDHM
N#Cc1cccnc1N[C@H]1CC[C@H](Nc2ncccc2-c2nnn[n-]2)CC1	ZINC000826387071	607823000	/nfs/dbraw/zinc/82/30/00/607823000.db2.gz	FNRHDWHKLIVOON-HDJSIYSDSA-N	-1	3	361.413	2.364	20	30		FEEDHM
N#Cc1cccnc1N[C@H]1CC[C@H](Nc2ncccc2-c2nn[n-]n2)CC1	ZINC000826387071	607823001	/nfs/dbraw/zinc/82/30/01/607823001.db2.gz	FNRHDWHKLIVOON-HDJSIYSDSA-N	-1	3	361.413	2.364	20	30		FEEDHM
Cc1sc2ncn(N=Cc3ccccc3-c3nnn[n-]3)c(=O)c2c1C	ZINC000826350328	607882773	/nfs/dbraw/zinc/88/27/73/607882773.db2.gz	QZGFMSKDTHUGJZ-UHFFFAOYSA-N	-1	3	351.395	2.137	20	30		FEEDHM
Cc1sc2ncn(N=Cc3ccccc3-c3nn[n-]n3)c(=O)c2c1C	ZINC000826350328	607882774	/nfs/dbraw/zinc/88/27/74/607882774.db2.gz	QZGFMSKDTHUGJZ-UHFFFAOYSA-N	-1	3	351.395	2.137	20	30		FEEDHM
Fc1ccc(CNC(=S)NN=Cc2ccccc2-c2nnn[n-]2)cc1	ZINC000826374632	607885430	/nfs/dbraw/zinc/88/54/30/607885430.db2.gz	GQHIGNZGGXBKIM-UHFFFAOYSA-N	-1	3	355.402	2.004	20	30		FEEDHM
Fc1ccc(CNC(=S)NN=Cc2ccccc2-c2nn[n-]n2)cc1	ZINC000826374632	607885431	/nfs/dbraw/zinc/88/54/31/607885431.db2.gz	GQHIGNZGGXBKIM-UHFFFAOYSA-N	-1	3	355.402	2.004	20	30		FEEDHM
CCN(C[C@@H](C)C#N)[C@@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1	ZINC000825399360	608154624	/nfs/dbraw/zinc/15/46/24/608154624.db2.gz	QYNMLDXEUNKQHU-QWRGUYRKSA-N	-1	3	361.837	2.329	20	30		FEEDHM
CCN(C[C@@H](C)C#N)[C@@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1	ZINC000825399360	608154626	/nfs/dbraw/zinc/15/46/26/608154626.db2.gz	QYNMLDXEUNKQHU-QWRGUYRKSA-N	-1	3	361.837	2.329	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCC(C)(C)CCCO	ZINC000823909368	608273332	/nfs/dbraw/zinc/27/33/32/608273332.db2.gz	ALWAMESMWJSERD-UHFFFAOYSA-N	-1	3	372.473	2.363	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCC(C)(C)CCCO	ZINC000823909368	608273334	/nfs/dbraw/zinc/27/33/34/608273334.db2.gz	ALWAMESMWJSERD-UHFFFAOYSA-N	-1	3	372.473	2.363	20	30		FEEDHM
N#C[C@H](COC(=O)COc1ccccc1-c1nnn[n-]1)Cc1cccs1	ZINC000826378803	608276467	/nfs/dbraw/zinc/27/64/67/608276467.db2.gz	ARZVJDKFBCFZPB-GFCCVEGCSA-N	-1	3	369.406	2.233	20	30		FEEDHM
N#C[C@H](COC(=O)COc1ccccc1-c1nn[n-]n1)Cc1cccs1	ZINC000826378803	608276468	/nfs/dbraw/zinc/27/64/68/608276468.db2.gz	ARZVJDKFBCFZPB-GFCCVEGCSA-N	-1	3	369.406	2.233	20	30		FEEDHM
C#CCCCCC(=O)OCC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1	ZINC000823841459	608323494	/nfs/dbraw/zinc/32/34/94/608323494.db2.gz	NXLOUWIVJNQCPC-UHFFFAOYSA-N	-1	3	361.789	2.195	20	30		FEEDHM
C#CCCCCC(=O)OCC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1	ZINC000823841459	608323496	/nfs/dbraw/zinc/32/34/96/608323496.db2.gz	NXLOUWIVJNQCPC-UHFFFAOYSA-N	-1	3	361.789	2.195	20	30		FEEDHM
CCN(C(=O)c1cc(-c2nnn[n-]2)cn1C)c1ccc(C#N)c(Cl)c1	ZINC000825376418	608347546	/nfs/dbraw/zinc/34/75/46/608347546.db2.gz	GQURKNTZSLPMFR-UHFFFAOYSA-N	-1	3	355.789	2.397	20	30		FEEDHM
CCN(C(=O)c1cc(-c2nn[n-]n2)cn1C)c1ccc(C#N)c(Cl)c1	ZINC000825376418	608347548	/nfs/dbraw/zinc/34/75/48/608347548.db2.gz	GQURKNTZSLPMFR-UHFFFAOYSA-N	-1	3	355.789	2.397	20	30		FEEDHM
C#CCOc1ccc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2OC)cc1	ZINC000823856613	608359188	/nfs/dbraw/zinc/35/91/88/608359188.db2.gz	VGBCAGIKYVGNOI-UHFFFAOYSA-N	-1	3	364.361	2.244	20	30		FEEDHM
C#CCOc1ccc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2OC)cc1	ZINC000823856613	608359189	/nfs/dbraw/zinc/35/91/89/608359189.db2.gz	VGBCAGIKYVGNOI-UHFFFAOYSA-N	-1	3	364.361	2.244	20	30		FEEDHM
C=CCOc1cccnc1C(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1	ZINC000823932078	608457067	/nfs/dbraw/zinc/45/70/67/608457067.db2.gz	NGMOAHHUJLFLCH-UHFFFAOYSA-N	-1	3	350.382	2.099	20	30		FEEDHM
C=CCOc1cccnc1C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1	ZINC000823932078	608457068	/nfs/dbraw/zinc/45/70/68/608457068.db2.gz	NGMOAHHUJLFLCH-UHFFFAOYSA-N	-1	3	350.382	2.099	20	30		FEEDHM
N#C[C@H]1CN(Cc2ccc(-c3nnn[n-]3)s2)CCN1Cc1ccccc1	ZINC000826380511	608496601	/nfs/dbraw/zinc/49/66/01/608496601.db2.gz	CQLNLXOFTNJVLC-HNNXBMFYSA-N	-1	3	365.466	2.138	20	30		FEEDHM
N#C[C@H](NC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1)C1CC1	ZINC000826380295	608501290	/nfs/dbraw/zinc/50/12/90/608501290.db2.gz	UUNUNKAXZDEKGH-HNNXBMFYSA-N	-1	3	364.365	2.071	20	30		FEEDHM
N#C[C@H](NC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1)C1CC1	ZINC000826380295	608501291	/nfs/dbraw/zinc/50/12/91/608501291.db2.gz	UUNUNKAXZDEKGH-HNNXBMFYSA-N	-1	3	364.365	2.071	20	30		FEEDHM
N#Cc1cc(NC(=O)c2cccc(Br)n2)ccc1-c1nnn[n-]1	ZINC000826384395	608831718	/nfs/dbraw/zinc/83/17/18/608831718.db2.gz	TUJMPGZECINDOI-UHFFFAOYSA-N	-1	3	370.170	2.148	20	30		FEEDHM
N#Cc1cc(NC(=O)c2cccc(Br)n2)ccc1-c1nn[n-]n1	ZINC000826384395	608831721	/nfs/dbraw/zinc/83/17/21/608831721.db2.gz	TUJMPGZECINDOI-UHFFFAOYSA-N	-1	3	370.170	2.148	20	30		FEEDHM
C#CCCCCCC(=O)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1	ZINC000823841775	609147317	/nfs/dbraw/zinc/14/73/17/609147317.db2.gz	SJEVJGJRBCUPET-UHFFFAOYSA-N	-1	3	366.469	2.489	20	30		FEEDHM
C#CCCCCCC(=O)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1	ZINC000823841775	609147318	/nfs/dbraw/zinc/14/73/18/609147318.db2.gz	SJEVJGJRBCUPET-UHFFFAOYSA-N	-1	3	366.469	2.489	20	30		FEEDHM
C[C@@H](C#N)Oc1ccccc1NC(=O)NCc1cccc(-c2nnn[n-]2)c1	ZINC000824034750	609164235	/nfs/dbraw/zinc/16/42/35/609164235.db2.gz	OLUKIUKRSCBVFB-LBPRGKRZSA-N	-1	3	363.381	2.479	20	30		FEEDHM
C[C@@H](C#N)Oc1ccccc1NC(=O)NCc1cccc(-c2nn[n-]n2)c1	ZINC000824034750	609164236	/nfs/dbraw/zinc/16/42/36/609164236.db2.gz	OLUKIUKRSCBVFB-LBPRGKRZSA-N	-1	3	363.381	2.479	20	30		FEEDHM
N#CC1(c2ccc(C(=O)NCc3cc(-c4nnn[n-]4)ccc3F)cc2)CC1	ZINC000826379788	609207345	/nfs/dbraw/zinc/20/73/45/609207345.db2.gz	BONOMPIUKUUQRM-UHFFFAOYSA-N	-1	3	362.368	2.491	20	30		FEEDHM
N#CC1(c2ccc(C(=O)NCc3cc(-c4nn[n-]n4)ccc3F)cc2)CC1	ZINC000826379788	609207347	/nfs/dbraw/zinc/20/73/47/609207347.db2.gz	BONOMPIUKUUQRM-UHFFFAOYSA-N	-1	3	362.368	2.491	20	30		FEEDHM
C=CCCO[C@@H](C)C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1	ZINC000823899510	609290093	/nfs/dbraw/zinc/29/00/93/609290093.db2.gz	XHYUTIIYYGRMFW-NSHDSACASA-N	-1	3	371.376	2.111	20	30		FEEDHM
C[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)N1CCc2ccccc21	ZINC000824044891	609382880	/nfs/dbraw/zinc/38/28/80/609382880.db2.gz	ANBIJVABRKRXOV-LBPRGKRZSA-N	-1	3	359.393	2.128	20	30		FEEDHM
C[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)N1CCc2ccccc21	ZINC000824044891	609382882	/nfs/dbraw/zinc/38/28/82/609382882.db2.gz	ANBIJVABRKRXOV-LBPRGKRZSA-N	-1	3	359.393	2.128	20	30		FEEDHM
C=CCN(C(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1)C(C)C	ZINC000823904158	609527674	/nfs/dbraw/zinc/52/76/74/609527674.db2.gz	WAUTYUPBUWTXNG-UHFFFAOYSA-N	-1	3	351.414	2.397	20	30		FEEDHM
C=CCN(C(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1)C(C)C	ZINC000823904158	609527675	/nfs/dbraw/zinc/52/76/75/609527675.db2.gz	WAUTYUPBUWTXNG-UHFFFAOYSA-N	-1	3	351.414	2.397	20	30		FEEDHM
Cc1c(Cl)cnc(NCCNc2ccc(-c3nnn[n-]3)cn2)c1C#N	ZINC000826240132	609531110	/nfs/dbraw/zinc/53/11/10/609531110.db2.gz	DNZLQGSBLCZKKI-UHFFFAOYSA-N	-1	3	355.793	2.014	20	30		FEEDHM
Cc1c(Cl)cnc(NCCNc2ccc(-c3nn[n-]n3)cn2)c1C#N	ZINC000826240132	609531112	/nfs/dbraw/zinc/53/11/12/609531112.db2.gz	DNZLQGSBLCZKKI-UHFFFAOYSA-N	-1	3	355.793	2.014	20	30		FEEDHM
O=C(OCC#Cc1cccc(Cl)c1)[C@H](O)c1ccc(-c2nnn[n-]2)cc1	ZINC000826462766	609634116	/nfs/dbraw/zinc/63/41/16/609634116.db2.gz	IDHPLJDORUSCIE-MRXNPFEDSA-N	-1	3	368.780	2.148	20	30		FEEDHM
O=C(OCC#Cc1cccc(Cl)c1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1	ZINC000826462766	609634117	/nfs/dbraw/zinc/63/41/17/609634117.db2.gz	IDHPLJDORUSCIE-MRXNPFEDSA-N	-1	3	368.780	2.148	20	30		FEEDHM
C=CCOCCOC(=O)c1c(Cl)ccc(S(=O)(=O)[N-]C)c1Cl	ZINC000815217803	674931667	/nfs/dbraw/zinc/93/16/67/674931667.db2.gz	JFHIECBUQYMOHM-UHFFFAOYSA-N	-1	3	368.238	2.261	20	30		FEEDHM
N#CCCOCCOC(=O)c1ccc(I)c([O-])c1	ZINC000815234177	674932693	/nfs/dbraw/zinc/93/26/93/674932693.db2.gz	DREYFZFTXUXVNB-UHFFFAOYSA-N	-1	3	361.135	2.084	20	30		FEEDHM
O=C(Cc1csc(-c2ccccc2Cl)n1)N[C@@H]1CCN([O-])C1=O	ZINC000816691286	675073464	/nfs/dbraw/zinc/07/34/64/675073464.db2.gz	OLGJPDVUTFXCSW-GFCCVEGCSA-N	-1	3	351.815	2.112	20	30		FEEDHM
O=C(CCSc1ccc(Br)cc1)N[C@H]1CCN([O-])C1=O	ZINC000816693505	675073476	/nfs/dbraw/zinc/07/34/76/675073476.db2.gz	MFNWQMUHJUFVRZ-NSHDSACASA-N	-1	3	359.245	2.038	20	30		FEEDHM
O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)N[C@@H]1CCCN([O-])C1=O	ZINC000816758015	675078187	/nfs/dbraw/zinc/07/81/87/675078187.db2.gz	GURNTXRSGFTINC-CYBMUJFWSA-N	-1	3	363.801	2.424	20	30		FEEDHM
Cc1cc(CCC(=O)N[C@@H]2CCCN([O-])C2=O)ccc1Br	ZINC000816759455	675078378	/nfs/dbraw/zinc/07/83/78/675078378.db2.gz	NBUJZDIULLOKPK-CYBMUJFWSA-N	-1	3	355.232	2.187	20	30		FEEDHM
CC(C)OCc1nc([C@H](C)[N-]S(=O)(=O)CC2(C#N)CCCCC2)no1	ZINC000565569325	675132806	/nfs/dbraw/zinc/13/28/06/675132806.db2.gz	ZUCVENSUEGIKTM-ZDUSSCGKSA-N	-1	3	370.475	2.449	20	30		FEEDHM
CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)NC2(C#N)CCCC2)ccc1F	ZINC000104524680	670793693	/nfs/dbraw/zinc/79/36/93/670793693.db2.gz	HINZDEIHPHEAQE-UHFFFAOYSA-N	-1	3	367.446	2.469	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N(CCC#N)C(C)C)ccc1F	ZINC000116664002	670907672	/nfs/dbraw/zinc/90/76/72/670907672.db2.gz	POIMPOVQIHTKAI-UHFFFAOYSA-N	-1	3	353.419	2.054	20	30		FEEDHM
CC[C@H](C)C[C@@H]([N-]S(=O)(=O)Cc1ccc(CC#N)cc1)C(=O)OC	ZINC000578502057	671669779	/nfs/dbraw/zinc/66/97/79/671669779.db2.gz	FTXTXJCHNXTBKW-XJKSGUPXSA-N	-1	3	352.456	2.150	20	30		FEEDHM
COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]C1(C#N)CC1	ZINC000123207347	671976956	/nfs/dbraw/zinc/97/69/56/671976956.db2.gz	ZXCGUYTVHBCIIV-UHFFFAOYSA-N	-1	3	365.636	2.446	20	30		FEEDHM
N#CC1(CS(=O)(=O)[N-][C@@H]2CCN(c3ccc(Cl)cc3)C2=O)CCC1	ZINC000582395038	671997858	/nfs/dbraw/zinc/99/78/58/671997858.db2.gz	HGVIRCSGGFNZQM-CQSZACIVSA-N	-1	3	367.858	2.059	20	30		FEEDHM
COC(=O)c1c(F)ccc(S(=O)(=O)[N-]Cc2ccc(C#N)cc2)c1F	ZINC000177697172	672385423	/nfs/dbraw/zinc/38/54/23/672385423.db2.gz	BUKYKLSACZWMOT-UHFFFAOYSA-N	-1	3	366.345	2.102	20	30		FEEDHM
C=C(C)CN(C)S(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)c(F)c1	ZINC000183288333	672464876	/nfs/dbraw/zinc/46/48/76/672464876.db2.gz	AHMXBRICETUSAT-UHFFFAOYSA-N	-1	3	364.464	2.174	20	30		FEEDHM
CC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C(=O)OC)c1nccs1	ZINC000593548576	672939402	/nfs/dbraw/zinc/93/94/02/672939402.db2.gz	PBEWIZLAIYPTAR-GFCCVEGCSA-N	-1	3	365.436	2.231	20	30		FEEDHM
CC[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(C#N)cc1C(=O)OC	ZINC000593577549	672949042	/nfs/dbraw/zinc/94/90/42/672949042.db2.gz	LEZHBHNDMWILPD-JTQLQIEISA-N	-1	3	364.345	2.354	20	30		FEEDHM
Cc1cc(C[N-]S(=O)(=O)c2ccsc2C#N)cc(N2CCCC2)n1	ZINC000593595805	672953922	/nfs/dbraw/zinc/95/39/22/672953922.db2.gz	KCWCGDSUWSWWGX-UHFFFAOYSA-N	-1	3	362.480	2.402	20	30		FEEDHM
COC(=O)[C@@]1([N-]S(=O)(=O)Cc2ccc(F)cc2C#N)CC[C@@H](C)CC1	ZINC000594831157	673155419	/nfs/dbraw/zinc/15/54/19/673155419.db2.gz	GEQVHVSXZZNOAW-QASKLWRZSA-N	-1	3	368.430	2.239	20	30		FEEDHM
CNC(=O)c1ccc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)cn1	ZINC000728763008	673210745	/nfs/dbraw/zinc/21/07/45/673210745.db2.gz	ANQQMKAFMANUSA-CYBMUJFWSA-N	-1	3	356.769	2.056	20	30		FEEDHM
COc1cc(Br)c(F)cc1S(=O)(=O)[N-]C(C)(C)C#N	ZINC000542710600	673598771	/nfs/dbraw/zinc/59/87/71/673598771.db2.gz	CIPUBQBZTPPOOL-UHFFFAOYSA-N	-1	3	351.197	2.177	20	30		FEEDHM
CC#CCN(C)C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl	ZINC000566936533	675254309	/nfs/dbraw/zinc/25/43/09/675254309.db2.gz	ODWUPTZWEMDRFP-UHFFFAOYSA-N	-1	3	363.266	2.144	20	30		FEEDHM
Cc1nc(SC2CCCC2)sc1CC(=O)N[C@@H]1CCN([O-])C1=O	ZINC000820130928	675338125	/nfs/dbraw/zinc/33/81/25/675338125.db2.gz	CZWNEOHKCMZUID-LLVKDONJSA-N	-1	3	355.485	2.135	20	30		FEEDHM
Cc1cc2c(o1)c(C(=O)N[C@@H]1CCN([O-])C1=O)ccc2Br	ZINC000820143032	675339025	/nfs/dbraw/zinc/33/90/25/675339025.db2.gz	BHRSKTOCPCFRHS-LLVKDONJSA-N	-1	3	353.172	2.224	20	30		FEEDHM
O=C(N[C@H]1CCN([O-])C1=O)c1cccnc1SCc1ccc(F)cc1	ZINC000820175229	675341195	/nfs/dbraw/zinc/34/11/95/675341195.db2.gz	VNDIOGJKORWYCE-AWEZNQCLSA-N	-1	3	361.398	2.233	20	30		FEEDHM
C#CC(C)(C)[N-]S(=O)(=O)c1cc(F)c(Br)cc1OC	ZINC000820798059	675389279	/nfs/dbraw/zinc/38/92/79/675389279.db2.gz	SQCCSNFXKZLLEW-UHFFFAOYSA-N	-1	3	350.209	2.287	20	30		FEEDHM
N#CCc1ccc(CS(=O)(=O)[N-]CC(=O)OC2CCCCC2)cc1	ZINC000827314589	675747700	/nfs/dbraw/zinc/74/77/00/675747700.db2.gz	GWTJBUPRZWOCNL-UHFFFAOYSA-N	-1	3	350.440	2.048	20	30		FEEDHM
C[C@H](CC(=O)N1CC(C)(C)C[C@@H]1C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000839876804	680785435	/nfs/dbraw/zinc/78/54/35/680785435.db2.gz	GOARYAJEDFTWJU-OLZOCXBDSA-N	-1	3	363.483	2.151	20	30		FEEDHM
CC(C)CN(CCC#N)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1	ZINC000751374046	680169974	/nfs/dbraw/zinc/16/99/74/680169974.db2.gz	KXYLTFJEGKENGG-UHFFFAOYSA-N	-1	3	367.446	2.278	20	30		FEEDHM
C[C@@H](CC(=O)NCC1=CCCCC1)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000833343424	680193331	/nfs/dbraw/zinc/19/33/31/680193331.db2.gz	MLAHPAJMPQSVID-ZDUSSCGKSA-N	-1	3	361.467	2.120	20	30		FEEDHM
COc1ccc(C2N=NC(=S)N2N=Cc2ccc([O-])cn2)c(OC)c1	ZINC000755599221	680423437	/nfs/dbraw/zinc/42/34/37/680423437.db2.gz	ODPZIKSJIYAMNK-UHFFFAOYSA-N	-1	3	357.395	2.234	20	30		FEEDHM
Cc1nsc(N2C[C@@H]3CCN(C(=O)c4ccccc4[O-])[C@@H]3C2)c1C#N	ZINC001040518684	680475006	/nfs/dbraw/zinc/47/50/06/680475006.db2.gz	KMQIZNKCLLZWSC-SWLSCSKDSA-N	-1	3	354.435	2.380	20	30		FEEDHM
C=CCO[N-]C(=O)[C@H](C)CS(=O)(=O)c1ccc(Br)cc1	ZINC000837048122	680546525	/nfs/dbraw/zinc/54/65/25/680546525.db2.gz	MVQJFVCTUIDHMB-SNVBAGLBSA-N	-1	3	362.245	2.093	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)NC[C@H](CC(C)C)OC)ccc1F	ZINC000841348793	680874233	/nfs/dbraw/zinc/87/42/33/680874233.db2.gz	GIWUTXXEOFOMEG-AWEZNQCLSA-N	-1	3	372.462	2.081	20	30		FEEDHM
C=CCNC(=O)COC(=O)c1n[n-]c(-c2ccccc2)c1Br	ZINC000769054670	680969264	/nfs/dbraw/zinc/96/92/64/680969264.db2.gz	YIMXIOPSUOPCHT-UHFFFAOYSA-N	-1	3	364.199	2.298	20	30		FEEDHM
C#CC[C@@H]1CCCN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)C1	ZINC000843678874	681013196	/nfs/dbraw/zinc/01/31/96/681013196.db2.gz	OLEJAEBYOGUORO-CYBMUJFWSA-N	-1	3	364.442	2.142	20	30		FEEDHM
C#CC[C@H]1CCCN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)C1	ZINC000843678876	681013239	/nfs/dbraw/zinc/01/32/39/681013239.db2.gz	OLEJAEBYOGUORO-ZDUSSCGKSA-N	-1	3	364.442	2.142	20	30		FEEDHM
COc1cc(C=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)ccc1C	ZINC000773055670	681122990	/nfs/dbraw/zinc/12/29/90/681122990.db2.gz	SMWGDNCLCRMLBL-UHFFFAOYSA-N	-1	3	363.395	2.365	20	30		FEEDHM
C#C[C@@H]([N-]S(=O)(=O)c1sc(C)cc1Br)[C@H]1CCCO1	ZINC000773056056	681122999	/nfs/dbraw/zinc/12/29/99/681122999.db2.gz	LUOJHJOKDKEQPK-GHMZBOCLSA-N	-1	3	364.286	2.278	20	30		FEEDHM
C=C(C)CO[N-]C(=O)CCc1c(C)nc2nc(C(F)(F)F)nn2c1C	ZINC000846537770	681256114	/nfs/dbraw/zinc/25/61/14/681256114.db2.gz	MZYGEUFZGZHBFH-UHFFFAOYSA-N	-1	3	357.336	2.316	20	30		FEEDHM
C=C[C@H](C)ONC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl	ZINC000846542048	681257276	/nfs/dbraw/zinc/25/72/76/681257276.db2.gz	SLRMXNXKRDJKGN-VIFPVBQESA-N	-1	3	367.254	2.284	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)OCCC(C)(C)C#N)ccc1F	ZINC000776374325	681387321	/nfs/dbraw/zinc/38/73/21/681387321.db2.gz	WKEBUQJYAPJCQF-UHFFFAOYSA-N	-1	3	354.403	2.387	20	30		FEEDHM
CN(C)c1cc(NC(=O)N[C@H]2CCCN([O-])C2=O)cc(C(F)(F)F)c1	ZINC000933708067	681455036	/nfs/dbraw/zinc/45/50/36/681455036.db2.gz	CDQXIFFUMFAKKT-LBPRGKRZSA-N	-1	3	360.336	2.273	20	30		FEEDHM
CCCOc1ccc(C(=O)N[C@@H]2CCCN([O-])C2=O)c(OC(C)C)c1	ZINC000848134185	681478015	/nfs/dbraw/zinc/47/80/15/681478015.db2.gz	PELGIAGLMHTWRT-OAHLLOKOSA-N	-1	3	350.415	2.373	20	30		FEEDHM
CN(C(=O)OC(C)(C)C)c1ccc(C(=O)N[C@H]2CCCN([O-])C2=O)s1	ZINC000848132410	681478100	/nfs/dbraw/zinc/47/81/00/681478100.db2.gz	LBAMGWANRGCSCS-JTQLQIEISA-N	-1	3	369.443	2.229	20	30		FEEDHM
Cc1nc(-c2ccc(C)cc2)c(CC(=O)N[C@@H]2CCCN([O-])C2=O)s1	ZINC000848137553	681478681	/nfs/dbraw/zinc/47/86/81/681478681.db2.gz	GROIKFKQJXLSQX-CQSZACIVSA-N	-1	3	359.451	2.466	20	30		FEEDHM
C=CCN(CCc1ccco1)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C)c1	ZINC000778984999	681669812	/nfs/dbraw/zinc/66/98/12/681669812.db2.gz	OUUWIJAKTUODCL-UHFFFAOYSA-N	-1	3	366.414	2.198	20	30		FEEDHM
COC(=O)[C@H]([N-]S(=O)(=O)Cc1c(C)cc(C#N)cc1C)C(C)(C)C	ZINC000914120958	685495261	/nfs/dbraw/zinc/49/52/61/685495261.db2.gz	GPNDCZMQGMVLSZ-HNNXBMFYSA-N	-1	3	352.456	2.182	20	30		FEEDHM
C[C@H](CC(=O)OC[C@]1(C)CC1(F)F)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000851262596	682041799	/nfs/dbraw/zinc/04/17/99/682041799.db2.gz	YTSYVFOHTUQEOP-BMIGLBTASA-N	-1	3	372.393	2.092	20	30		FEEDHM
CSCCOC(=O)[C@H](CC(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000916612029	685526150	/nfs/dbraw/zinc/52/61/50/685526150.db2.gz	YYORRSWLZIFBQQ-ZDUSSCGKSA-N	-1	3	370.496	2.046	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)NC23CCC(CC2)C3)ccc1F	ZINC000784357473	682219764	/nfs/dbraw/zinc/21/97/64/682219764.db2.gz	IADNCFJQUGLBAP-UHFFFAOYSA-N	-1	3	352.431	2.353	20	30		FEEDHM
N#Cc1ccc(NCC[N-]S(=O)(=O)c2cccc(Cl)c2F)nc1	ZINC000917880265	685535352	/nfs/dbraw/zinc/53/53/52/685535352.db2.gz	VVUFQSUAHCPSPI-UHFFFAOYSA-N	-1	3	354.794	2.136	20	30		FEEDHM
CCc1cccc(COC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)c1	ZINC000787579106	682466229	/nfs/dbraw/zinc/46/62/29/682466229.db2.gz	IINBEMGZFNPSLY-UHFFFAOYSA-N	-1	3	358.419	2.031	20	30		FEEDHM
C#CCSc1ccc(COC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C)cc1	ZINC000788418580	682529159	/nfs/dbraw/zinc/52/91/59/682529159.db2.gz	VPGIIYFNYNBNLM-OAHLLOKOSA-N	-1	3	369.508	2.419	20	30		FEEDHM
Cc1c(Br)c(C)n(N=Cc2ccc(O)cc2[O-])c(=O)c1C#N	ZINC000788459767	682531416	/nfs/dbraw/zinc/53/14/16/682531416.db2.gz	HECIWUSQIKXGIR-UHFFFAOYSA-N	-1	3	362.183	2.393	20	30		FEEDHM
CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N1CC(C)(C)C1	ZINC000790230301	682661432	/nfs/dbraw/zinc/66/14/32/682661432.db2.gz	GITCPTQJEGCJIM-AWEZNQCLSA-N	-1	3	363.483	2.152	20	30		FEEDHM
C#CCC[C@@H](O)C[N-]S(=O)(=O)c1cccc(Br)c1Cl	ZINC000790331493	682667889	/nfs/dbraw/zinc/66/78/89/682667889.db2.gz	HUQLKZIJYCGUCN-SECBINFHSA-N	-1	3	366.664	2.155	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)NCCCOC(C)(C)C)ccc1F	ZINC000855704237	682704871	/nfs/dbraw/zinc/70/48/71/682704871.db2.gz	ZLUXNPMJRDGKFB-UHFFFAOYSA-N	-1	3	372.462	2.225	20	30		FEEDHM
C=CCCCNC(=O)[C@H](CCCC)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000791056922	682720947	/nfs/dbraw/zinc/72/09/47/682720947.db2.gz	PEGKDCDLIPGPEX-HNNXBMFYSA-N	-1	3	363.483	2.366	20	30		FEEDHM
COC(=O)C1(C#N)CCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)CC1	ZINC000857276942	682872245	/nfs/dbraw/zinc/87/22/45/682872245.db2.gz	CNGRCRNEFBGUEO-UHFFFAOYSA-N	-1	3	356.300	2.330	20	30		FEEDHM
CSC[C@](C)(C#N)[N-]C(=O)C(F)(F)n1cc(-c2ccccc2)nn1	ZINC000857620334	682897327	/nfs/dbraw/zinc/89/73/27/682897327.db2.gz	HNPXDHKSIPBZFS-AWEZNQCLSA-N	-1	3	351.382	2.256	20	30		FEEDHM
C[C@H]1CCC(=N[N-]S(=O)(=O)CCc2ccccc2)[C@@H](n2cncn2)C1	ZINC000794515808	682974538	/nfs/dbraw/zinc/97/45/38/682974538.db2.gz	NFESWVNHFBSFSV-YOEHRIQHSA-N	-1	3	361.471	2.157	20	30		FEEDHM
C[C@@H](CC(=O)OCCC(C)(F)F)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000797227411	683233245	/nfs/dbraw/zinc/23/32/45/683233245.db2.gz	SLXYJUZIGVXNJM-JTQLQIEISA-N	-1	3	360.382	2.092	20	30		FEEDHM
CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OC[C@@H]1C[C@@H]1C	ZINC000920333854	683335042	/nfs/dbraw/zinc/33/50/42/683335042.db2.gz	UDAOTGZJCSYESD-YDHLFZDLSA-N	-1	3	364.467	2.483	20	30		FEEDHM
C#C[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C(C)C	ZINC000798472519	683355111	/nfs/dbraw/zinc/35/51/11/683355111.db2.gz	MZCKZLXBSCSWIZ-LLVKDONJSA-N	-1	3	361.217	2.293	20	30		FEEDHM
COc1cc(OC)c(C=N[N-]S(=O)(=O)Cc2ccccc2)c(OC)c1	ZINC000920382919	683337387	/nfs/dbraw/zinc/33/73/87/683337387.db2.gz	CEZNPNQSYVCDCP-UHFFFAOYSA-N	-1	3	364.423	2.166	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)NC[C@H]2CCC[C@H]2C)ccc1F	ZINC000798685883	683380031	/nfs/dbraw/zinc/38/00/31/683380031.db2.gz	SAZHUAYNXJUKFN-TZMCWYRMSA-N	-1	3	354.447	2.456	20	30		FEEDHM
Cn1nncc1C([O-])=C(C#N)C(=O)Nc1ccc(SC(F)F)cc1	ZINC000798817339	683394305	/nfs/dbraw/zinc/39/43/05/683394305.db2.gz	WVULFGZRVNPHPW-SNVBAGLBSA-N	-1	3	351.338	2.091	20	30		FEEDHM
CC(C)(C)OC(=O)[C@@H]([N-]S(=O)(=O)CCCC#N)c1ccc(F)cc1	ZINC000921463510	683478269	/nfs/dbraw/zinc/47/82/69/683478269.db2.gz	OIAJOUUAWVSPKB-AWEZNQCLSA-N	-1	3	356.419	2.432	20	30		FEEDHM
C[S@](=O)(=NS(=O)(=O)[N-][C@H]1CC[C@@H](CC#N)C1)c1ccccc1F	ZINC000867333476	684250874	/nfs/dbraw/zinc/25/08/74/684250874.db2.gz	VPSYSOAPROCUOC-YEZLUTFDSA-N	-1	3	359.448	2.199	20	30		FEEDHM
C#C[C@H]([N-]S(=O)(=O)c1cc2nc(Cl)ncc2s1)C1CCOCC1	ZINC000867529448	684305986	/nfs/dbraw/zinc/30/59/86/684305986.db2.gz	IGXBLMYQXLAMID-JTQLQIEISA-N	-1	3	371.871	2.051	20	30		FEEDHM
CN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)[C@@H]1CCC[C@@H]1C#N	ZINC000870673626	684743502	/nfs/dbraw/zinc/74/35/02/684743502.db2.gz	CTHYYJAKEAKBLG-IUODEOHRSA-N	-1	3	365.430	2.031	20	30		FEEDHM
CN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)[C@H]1CCC[C@@H]1C#N	ZINC000870673625	684743650	/nfs/dbraw/zinc/74/36/50/684743650.db2.gz	CTHYYJAKEAKBLG-DOMZBBRYSA-N	-1	3	365.430	2.031	20	30		FEEDHM
CC(C)[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@H]2CCC[C@H]2C#N)ccc1F	ZINC000870676915	684744140	/nfs/dbraw/zinc/74/41/40/684744140.db2.gz	PGSHMLGHCPFUCD-ZFWWWQNUSA-N	-1	3	367.446	2.277	20	30		FEEDHM
CC(C)(C)[S@](=O)Cc1cccc(NC(=O)N[C@H]2CCCN([O-])C2=O)c1	ZINC000878737624	686646907	/nfs/dbraw/zinc/64/69/07/686646907.db2.gz	PPZYZZBALOTBQD-HWRSSNJWSA-N	-1	3	367.471	2.236	20	30		FEEDHM
CCOc1ccc(NC(=O)N[C@@H]2CCCN([O-])C2=O)cc1Br	ZINC000879295499	686789322	/nfs/dbraw/zinc/78/93/22/686789322.db2.gz	CXXMJAXPCHYNKO-LLVKDONJSA-N	-1	3	372.219	2.350	20	30		FEEDHM
O=C1[C@@H](NCc2cnn(-c3ccc(Br)cc3)c2)CCCN1[O-]	ZINC000895166322	689670443	/nfs/dbraw/zinc/67/04/43/689670443.db2.gz	POCQDGUAVWBIAK-AWEZNQCLSA-N	-1	3	365.231	2.105	20	30		FEEDHM
CCCCN([O-])C(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1	ZINC000904206756	691013228	/nfs/dbraw/zinc/01/32/28/691013228.db2.gz	GUVFVJVVEMVNPZ-UHFFFAOYSA-N	-1	3	358.435	2.244	20	30		FEEDHM
CCCCCCN([O-])C(=O)Cc1csc([C@H]2CCS(=O)(=O)C2)n1	ZINC000904207240	691013296	/nfs/dbraw/zinc/01/32/96/691013296.db2.gz	WOGQZEHCHAGMJS-LBPRGKRZSA-N	-1	3	360.501	2.386	20	30		FEEDHM
N#CC1(CS(=O)(=O)[N-]Cc2ncc(Br)cn2)CCCCC1	ZINC000907995581	691594914	/nfs/dbraw/zinc/59/49/14/691594914.db2.gz	VUBFBCLNLRCYAM-UHFFFAOYSA-N	-1	3	373.276	2.133	20	30		FEEDHM
C=C(Cl)C[C@H](NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C)C(=O)[O-]	ZINC000909071401	691774249	/nfs/dbraw/zinc/77/42/49/691774249.db2.gz	XMLBUSYCQJJTRF-VBNZEHGJSA-N	-1	3	365.861	2.402	20	30		FEEDHM
CC(=O)Nc1ccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1	ZINC000005165110	539403733	/nfs/dbraw/zinc/40/37/33/539403733.db2.gz	ANDSFFKYKATRMJ-UHFFFAOYSA-N	-1	3	352.394	2.393	20	30		FEEDHM
Cc1csc(C(C#N)=C([O-])c2ccc(N3CCCS3(=O)=O)cc2)n1	ZINC000041518166	540023905	/nfs/dbraw/zinc/02/39/05/540023905.db2.gz	PNLZTJGNOVBZDS-AWEZNQCLSA-N	-1	3	361.448	2.482	20	30		FEEDHM
CC#CC(=O)NCc1cccc([N-]S(=O)(=O)c2ccc(OC)cc2)c1	ZINC000801157294	674105280	/nfs/dbraw/zinc/10/52/80/674105280.db2.gz	CDFXVHFIUDAYMY-UHFFFAOYSA-N	-1	3	358.419	2.136	20	30		FEEDHM
CC(C)n1cc(C#N)c(=NC(=O)C(=O)NCC2(N(C)C)CCCCCC2)[n-]1	ZINC000538073399	540805331	/nfs/dbraw/zinc/80/53/31/540805331.db2.gz	YCQDLJWPESUUDS-UHFFFAOYSA-N	-1	3	374.489	2.045	20	30		FEEDHM
C[C@@H](C#N)CN(C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1	ZINC000065880667	541269043	/nfs/dbraw/zinc/26/90/43/541269043.db2.gz	NGDAYNCXZQXAQB-NSHDSACASA-N	-1	3	355.435	2.134	20	30		FEEDHM
Cc1cc(N2CCN(C)CC2)ccc1[N-]S(=O)(=O)c1cccc(C#N)c1	ZINC000068038692	541540897	/nfs/dbraw/zinc/54/08/97/541540897.db2.gz	OXYGTYWXFPESDP-UHFFFAOYSA-N	-1	3	370.478	2.419	20	30		FEEDHM
C[C@@H](C#N)CN(C)C(=O)Cc1csc(NC(=O)c2cccc([O-])c2)n1	ZINC000080065732	542562211	/nfs/dbraw/zinc/56/22/11/542562211.db2.gz	HGQBPNZXOQLOSM-NSHDSACASA-N	-1	3	358.423	2.262	20	30		FEEDHM
N#CC(=C([O-])c1cnn(CC(=O)NC2CCCCC2)c1)c1ccccn1	ZINC000080255658	542579053	/nfs/dbraw/zinc/57/90/53/542579053.db2.gz	NWTVGBZDRPCKRT-MRXNPFEDSA-N	-1	3	351.410	2.217	20	30		FEEDHM
C[N-]S(=O)(=O)c1cc(C(=O)N(CCC#N)c2ccc(C)cc2)c(C)o1	ZINC000081726796	542673326	/nfs/dbraw/zinc/67/33/26/542673326.db2.gz	PUNDWBFPWHDJQY-UHFFFAOYSA-N	-1	3	361.423	2.365	20	30		FEEDHM
N#Cc1ccc(N2CCN(C(=O)c3ccccc3[O-])CC2)c([N+](=O)[O-])c1	ZINC000071953097	132303133	/nfs/dbraw/zinc/30/31/33/132303133.db2.gz	FVRNDLIWFGXPQM-UHFFFAOYSA-N	-1	3	352.350	2.134	20	30		FEEDHM
CC[C@@H](C#N)[N-]S(=O)(=O)c1ccc(CCNC(=O)CC(C)C)s1	ZINC000093928824	542946590	/nfs/dbraw/zinc/94/65/90/542946590.db2.gz	NFCZWBYIGVXQOG-LBPRGKRZSA-N	-1	3	357.501	2.033	20	30		FEEDHM
N#Cc1cccc(CS(=O)(=O)[N-][C@H]2CCCN(c3ccccc3)C2=O)c1	ZINC000114500667	543521794	/nfs/dbraw/zinc/52/17/94/543521794.db2.gz	HOSVSTGGODJSID-SFHVURJKSA-N	-1	3	369.446	2.173	20	30		FEEDHM
Cn1cc(N2CC[C@H](/N=C/c3cc(Br)ccc3[O-])C2=O)cn1	ZINC000117544903	543635568	/nfs/dbraw/zinc/63/55/68/543635568.db2.gz	UUUQOPLDKYEBDG-SRYMZENNSA-N	-1	3	363.215	2.113	20	30		FEEDHM
COC(=O)c1cccc(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)c1	ZINC000126439708	543935861	/nfs/dbraw/zinc/93/58/61/543935861.db2.gz	CMAIBUPINVAQRN-UHFFFAOYSA-N	-1	3	364.810	2.477	20	30		FEEDHM
COc1cccc(C2([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3C#N)CC2)c1	ZINC000126472547	543937800	/nfs/dbraw/zinc/93/78/00/543937800.db2.gz	VHDBMEATIFPTSD-UHFFFAOYSA-N	-1	3	373.390	2.443	20	30		FEEDHM
N#CCCCS(=O)(=O)[N-][C@@H](c1nc[nH]n1)c1cccc(C(F)(F)F)c1	ZINC000136088697	544366273	/nfs/dbraw/zinc/36/62/73/544366273.db2.gz	DVVRRYIUHZSUBI-GFCCVEGCSA-N	-1	3	373.360	2.136	20	30		FEEDHM
C=CCn1c(=O)c2ccc(C(=O)N(C)[C@H]3CCCN(C)C3)cc2[n-]c1=S	ZINC000151122741	544507772	/nfs/dbraw/zinc/50/77/72/544507772.db2.gz	GWIOSWWOTPLOGH-AWEZNQCLSA-N	-1	3	372.494	2.037	20	30		FEEDHM
C#CCCCCNC(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1	ZINC000154943285	544968701	/nfs/dbraw/zinc/96/87/01/544968701.db2.gz	SSXJPGHQNURROO-UHFFFAOYSA-N	-1	3	369.512	2.004	20	30		FEEDHM
COC(=O)[C@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl)CC(C)C	ZINC000183736974	327833119	/nfs/dbraw/zinc/83/31/19/327833119.db2.gz	DNGZXDBCLQWEOU-LBPRGKRZSA-N	-1	3	358.847	2.325	20	30		FEEDHM
Cn1ccnc1[C@@H]([N-]S(=O)(=O)c1ccc(C#N)o1)c1ccc(F)cc1	ZINC000553772696	674285188	/nfs/dbraw/zinc/28/51/88/674285188.db2.gz	GNICZXZTZYEEIA-HNNXBMFYSA-N	-1	3	360.370	2.092	20	30		FEEDHM
Cc1cccc(C[C@H](CO)[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c1	ZINC000188396190	328084587	/nfs/dbraw/zinc/08/45/87/328084587.db2.gz	MBTMUMKFHOQPBX-OAHLLOKOSA-N	-1	3	364.854	2.402	20	30		FEEDHM
Cc1nc(C)c(CCC(=O)N(Cc2ccc(C#N)cc2)C2CC2)c(=O)[n-]1	ZINC000193231871	328364101	/nfs/dbraw/zinc/36/41/01/328364101.db2.gz	URLLIMAMNDECQZ-UHFFFAOYSA-N	-1	3	350.422	2.382	20	30		FEEDHM
CCc1cnc(CCNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)s1	ZINC000081203926	325163665	/nfs/dbraw/zinc/16/36/65/325163665.db2.gz	UHIAFGXZULNXQM-UHFFFAOYSA-N	-1	3	358.467	2.174	20	30		FEEDHM
N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1[C@@H]2CCO[C@H]2C12CCC2	ZINC000245560870	328558103	/nfs/dbraw/zinc/55/81/03/328558103.db2.gz	UVADUOKAUFEGBK-NWANDNLSSA-N	-1	3	352.843	2.448	20	30		FEEDHM
CCNC(=O)c1ccc(OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1	ZINC000116035982	325989420	/nfs/dbraw/zinc/98/94/20/325989420.db2.gz	GXYRBTLDLNYTIR-UHFFFAOYSA-N	-1	3	367.405	2.151	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)CNc1ccccc1	ZINC000119928676	326213008	/nfs/dbraw/zinc/21/30/08/326213008.db2.gz	ZPYUDZPYVQFZPR-ZDUSSCGKSA-N	-1	3	352.438	2.413	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCCC[C@H]2O)c(C(F)(F)F)c1	ZINC000121346817	326331658	/nfs/dbraw/zinc/33/16/58/326331658.db2.gz	CCPVZDUQNAIIFI-WCQYABFASA-N	-1	3	362.373	2.406	20	30		FEEDHM
Cc1nn(C)c(C)c1C[C@@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1C#N	ZINC000122278321	326390808	/nfs/dbraw/zinc/39/08/08/326390808.db2.gz	MTNJYWVXTMBXCQ-SNVBAGLBSA-N	-1	3	366.874	2.472	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1ccc(C#N)cc1	ZINC000156442845	326831614	/nfs/dbraw/zinc/83/16/14/326831614.db2.gz	LFEPWEASMBNNNE-LLVKDONJSA-N	-1	3	356.363	2.378	20	30		FEEDHM
CCOC(=O)C1CCC([N-]S(=O)(=O)c2ccc(F)cc2C#N)CC1	ZINC000156985862	326850577	/nfs/dbraw/zinc/85/05/77/326850577.db2.gz	NGIQXRCWOFLHBP-UHFFFAOYSA-N	-1	3	354.403	2.098	20	30		FEEDHM
Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C	ZINC000157174880	326856875	/nfs/dbraw/zinc/85/68/75/326856875.db2.gz	TZCGJBRQDZUGHJ-KRWDZBQOSA-N	-1	3	367.453	2.500	20	30		FEEDHM
Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(NC(=O)CN(C)C)cc1	ZINC000174328953	327320268	/nfs/dbraw/zinc/32/02/68/327320268.db2.gz	KINXYFIJWSIBJP-UHFFFAOYSA-N	-1	3	372.450	2.168	20	30		FEEDHM
COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C	ZINC000253586923	328799832	/nfs/dbraw/zinc/79/98/32/328799832.db2.gz	BWWBUAUSUWKTOV-XUWXXGDYSA-N	-1	3	371.437	2.008	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCNCc2ccccc21	ZINC000269091775	329484720	/nfs/dbraw/zinc/48/47/20/329484720.db2.gz	OYIJWEQYQMAYAZ-UHFFFAOYSA-N	-1	3	350.422	2.345	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(CC(=O)OC(C)(C)C)no1	ZINC000274146354	329919919	/nfs/dbraw/zinc/91/99/19/329919919.db2.gz	FBINNAWLRUPAOJ-UHFFFAOYSA-N	-1	3	358.398	2.328	20	30		FEEDHM
CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CC[C@H]1C	ZINC000804854313	674303692	/nfs/dbraw/zinc/30/36/92/674303692.db2.gz	GFQBOAFUYYIRQV-YUELXQCFSA-N	-1	3	363.483	2.199	20	30		FEEDHM
N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CCCOC[C@@H]1CCCO1	ZINC000156243837	545610790	/nfs/dbraw/zinc/61/07/90/545610790.db2.gz	CTAKQZLSIRGMFR-LBPRGKRZSA-N	-1	3	358.847	2.076	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H]([C@H]1CCCO1)C(F)(F)F	ZINC000158901591	545904601	/nfs/dbraw/zinc/90/46/01/545904601.db2.gz	BFXWGQDGBJOKNE-UKRRQHHQSA-N	-1	3	372.343	2.449	20	30		FEEDHM
CC(C)C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000478770821	561174536	/nfs/dbraw/zinc/17/45/36/561174536.db2.gz	WFEWAZNTABSNBJ-HIFRSBDPSA-N	-1	3	367.427	2.338	20	30		FEEDHM
C=CCN1CCC([N-]S(=O)(=O)c2ccc(Br)s2)CC1	ZINC000171537646	546214188	/nfs/dbraw/zinc/21/41/88/546214188.db2.gz	VMJGGNXEOKIFKZ-UHFFFAOYSA-N	-1	3	365.318	2.439	20	30		FEEDHM
COCCC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccnc1C#N	ZINC000480627110	561213258	/nfs/dbraw/zinc/21/32/58/561213258.db2.gz	RHPIJWKLXZRFBP-INIZCTEOSA-N	-1	3	359.451	2.269	20	30		FEEDHM
CC(C)CCN(CCC#N)C(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1	ZINC000177823275	546692134	/nfs/dbraw/zinc/69/21/34/546692134.db2.gz	IDTJTKFTDKWQRJ-IBGZPJMESA-N	-1	3	356.426	2.143	20	30		FEEDHM
CC(C)C[C@@H]([N-]S(=O)(=O)CCCCC#N)C(=O)Nc1nccs1	ZINC000179409470	546947848	/nfs/dbraw/zinc/94/78/48/546947848.db2.gz	XXUDKAVITZLULO-GFCCVEGCSA-N	-1	3	358.489	2.110	20	30		FEEDHM
COc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@@H](C)CC#N	ZINC000183607839	547688823	/nfs/dbraw/zinc/68/88/23/547688823.db2.gz	MSKCEQLQNVIJMX-ZETCQYMHSA-N	-1	3	351.197	2.177	20	30		FEEDHM
COC(=O)c1cnc(SCC(=O)Nc2cc(Cl)ccc2C#N)[n-]1	ZINC000484565121	561300151	/nfs/dbraw/zinc/30/01/51/561300151.db2.gz	QXOPHPDKBRIXRP-UHFFFAOYSA-N	-1	3	350.787	2.452	20	30		FEEDHM
CN(C)C(=O)C1(C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)CCCC1	ZINC000184696663	547867261	/nfs/dbraw/zinc/86/72/61/547867261.db2.gz	BIFRCIPCZCXXPR-UHFFFAOYSA-N	-1	3	369.874	2.139	20	30		FEEDHM
CC#CCCCC(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1	ZINC000184985305	547912131	/nfs/dbraw/zinc/91/21/31/547912131.db2.gz	WRVSDWRCRIZVFO-UHFFFAOYSA-N	-1	3	354.497	2.211	20	30		FEEDHM
CN(C)[C@H](C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)c1ccco1	ZINC000186045953	548077884	/nfs/dbraw/zinc/07/78/84/548077884.db2.gz	LVJFSDRRLGIPOM-CYBMUJFWSA-N	-1	3	353.831	2.386	20	30		FEEDHM
Cn1cc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)cc(Cl)c1=O	ZINC000186448659	548136284	/nfs/dbraw/zinc/13/62/84/548136284.db2.gz	ZXZZGTZJMQDPQP-UHFFFAOYSA-N	-1	3	358.206	2.365	20	30		FEEDHM
N#CC1([N-]S(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCOC2)CC1	ZINC000188105764	548271469	/nfs/dbraw/zinc/27/14/69/548271469.db2.gz	YITZRSBGYZTXBC-NSHDSACASA-N	-1	3	356.831	2.090	20	30		FEEDHM
C[C@@H](CC#N)NC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl	ZINC000194665821	548513411	/nfs/dbraw/zinc/51/34/11/548513411.db2.gz	QRUAKPIKWMKBIW-VIFPVBQESA-N	-1	3	364.254	2.080	20	30		FEEDHM
C=CCCCS(=O)(=O)[N-][C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)OC	ZINC000489514461	561413195	/nfs/dbraw/zinc/41/31/95/561413195.db2.gz	ABVLGZPIRBIECU-MRXNPFEDSA-N	-1	3	368.430	2.277	20	30		FEEDHM
CCCCCn1cc(C[N-]S(=O)(=O)c2cnc(C)c(C#N)c2)c(C)n1	ZINC000489672876	561416733	/nfs/dbraw/zinc/41/67/33/561416733.db2.gz	MQTZIYRPSBCSGH-UHFFFAOYSA-N	-1	3	361.471	2.435	20	30		FEEDHM
CCCn1c(=O)[n-]c(=O)c2c(C(=O)N[C@@H](C#N)C(C)C)cc(C3CC3)nc21	ZINC000264701934	549999695	/nfs/dbraw/zinc/99/96/95/549999695.db2.gz	COINGUIRLVICEI-AWEZNQCLSA-N	-1	3	369.425	2.062	20	30		FEEDHM
COC(=O)c1cncc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1	ZINC000269209778	550168217	/nfs/dbraw/zinc/16/82/17/550168217.db2.gz	OBGBIWOMTGSFQF-UHFFFAOYSA-N	-1	3	354.366	2.029	20	30		FEEDHM
Cc1cc(NC([O-])=NOC[C@@H](C)NC(=O)OC(C)(C)C)nn1CCC#N	ZINC000273369734	550495852	/nfs/dbraw/zinc/49/58/52/550495852.db2.gz	AJYCDQTZIISQJO-LLVKDONJSA-N	-1	3	366.422	2.072	20	30		FEEDHM
Cc1cc(NC(=O)[N-]OC[C@@H](C)NC(=O)OC(C)(C)C)nn1CCC#N	ZINC000273369734	550495853	/nfs/dbraw/zinc/49/58/53/550495853.db2.gz	AJYCDQTZIISQJO-LLVKDONJSA-N	-1	3	366.422	2.072	20	30		FEEDHM
CC(C)(C)c1csc(CC[N-]S(=O)(=O)c2cccnc2C#N)n1	ZINC000277004204	550620741	/nfs/dbraw/zinc/62/07/41/550620741.db2.gz	KHRNXVDBUMDSGK-UHFFFAOYSA-N	-1	3	350.469	2.228	20	30		FEEDHM
N#Cc1cccc(NC(=O)C2CCN(C(=O)c3cccc(O)c3[O-])CC2)c1	ZINC000279121552	550856302	/nfs/dbraw/zinc/85/63/02/550856302.db2.gz	ABRYWQKVWONEBL-UHFFFAOYSA-N	-1	3	365.389	2.460	20	30		FEEDHM
C=C(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1	ZINC000280499267	551000645	/nfs/dbraw/zinc/00/06/45/551000645.db2.gz	BWDNGDBCCVRRED-YGRLFVJLSA-N	-1	3	374.390	2.002	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)CCCSC)ccc1F	ZINC000281422734	551095783	/nfs/dbraw/zinc/09/57/83/551095783.db2.gz	XUKWQZHOWYUWNR-UHFFFAOYSA-N	-1	3	360.476	2.115	20	30		FEEDHM
C[C@H](CC#N)N(C)S(=O)(=O)[N-][C@@H](c1nccs1)c1ccccc1	ZINC000283067980	551306425	/nfs/dbraw/zinc/30/64/25/551306425.db2.gz	UOKLPQRZXNDFEE-TZMCWYRMSA-N	-1	3	350.469	2.301	20	30		FEEDHM
CC(C)[C@@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)c1nncn1C	ZINC000285271508	551729614	/nfs/dbraw/zinc/72/96/14/551729614.db2.gz	JOZLHMLXFBCUQZ-CYBMUJFWSA-N	-1	3	353.835	2.016	20	30		FEEDHM
N#CC1(CS(=O)(=O)[N-]C[C@@H](c2ccco2)N2CCCC2)CCCC1	ZINC000498909372	561537501	/nfs/dbraw/zinc/53/75/01/561537501.db2.gz	WHOJACVVVGKBDY-HNNXBMFYSA-N	-1	3	351.472	2.420	20	30		FEEDHM
CC(=O)Nc1ncc(S(=O)(=O)[N-][C@H](CCC#N)c2ccccc2)s1	ZINC000287647956	552029749	/nfs/dbraw/zinc/02/97/49/552029749.db2.gz	CEWCBGRWKXWFLL-CYBMUJFWSA-N	-1	3	364.452	2.425	20	30		FEEDHM
N#Cc1cc(F)ccc1S(=O)(=O)[N-]C[C@]1(CO)C[C@@H]1c1ccccc1	ZINC000290305023	552457084	/nfs/dbraw/zinc/45/70/84/552457084.db2.gz	XTKHHALNNDOBHK-AEFFLSMTSA-N	-1	3	360.410	2.142	20	30		FEEDHM
CCN(CCC#N)C(=O)C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1	ZINC000290398447	552473309	/nfs/dbraw/zinc/47/33/09/552473309.db2.gz	OOKQTNVKMVIIGQ-UHFFFAOYSA-N	-1	3	364.254	2.034	20	30		FEEDHM
C=CCCCS(=O)(=O)[N-][C@@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000292687928	552749654	/nfs/dbraw/zinc/74/96/54/552749654.db2.gz	SBZRJLNNZBURBU-INIZCTEOSA-N	-1	3	350.440	2.138	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1n[nH]cc1Br	ZINC000293863888	552863551	/nfs/dbraw/zinc/86/35/51/552863551.db2.gz	IMLSFBMNDYFNJW-UHFFFAOYSA-N	-1	3	364.203	2.333	20	30		FEEDHM
COC(=O)NCCc1ccc(S(=O)(=O)[N-][C@H]2CC[C@@H](CC#N)C2)s1	ZINC000295762748	553055939	/nfs/dbraw/zinc/05/59/39/553055939.db2.gz	PFMUMTDQWKVVTE-RYUDHWBXSA-N	-1	3	371.484	2.007	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc(OCCO)cc2)c(Cl)c1	ZINC000503456126	561641886	/nfs/dbraw/zinc/64/18/86/561641886.db2.gz	NGOSUCSYTQBRQT-UHFFFAOYSA-N	-1	3	366.826	2.061	20	30		FEEDHM
COCCN(CCC#N)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl	ZINC000603043801	553699993	/nfs/dbraw/zinc/69/99/93/553699993.db2.gz	PPEFMZTUZBBQBL-UHFFFAOYSA-N	-1	3	353.732	2.493	20	30		FEEDHM
C=CCCc1ccccc1NC(=O)C(=O)NCc1nnc(C(F)(F)F)[n-]1	ZINC000505670279	561676996	/nfs/dbraw/zinc/67/69/96/561676996.db2.gz	DSPXWGPPKNZUNK-UHFFFAOYSA-N	-1	3	367.331	2.197	20	30		FEEDHM
C=CCCc1ccccc1NC(=O)C(=O)NCc1n[n-]c(C(F)(F)F)n1	ZINC000505670279	561676997	/nfs/dbraw/zinc/67/69/97/561676997.db2.gz	DSPXWGPPKNZUNK-UHFFFAOYSA-N	-1	3	367.331	2.197	20	30		FEEDHM
C=CCCc1ccccc1NC(=O)C(=O)NCc1nc(C(F)(F)F)n[n-]1	ZINC000505670279	561676999	/nfs/dbraw/zinc/67/69/99/561676999.db2.gz	DSPXWGPPKNZUNK-UHFFFAOYSA-N	-1	3	367.331	2.197	20	30		FEEDHM
O=C(Nc1ccc([N-]S(=O)(=O)C[C@H]2CCCCO2)cc1)NC1CC1	ZINC000329495155	553957772	/nfs/dbraw/zinc/95/77/72/553957772.db2.gz	FOAYLBLSHNNYMY-OAHLLOKOSA-N	-1	3	353.444	2.486	20	30		FEEDHM
C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)c3csc(=O)[n-]3)CC2)C1	ZINC000329992961	554045810	/nfs/dbraw/zinc/04/58/10/554045810.db2.gz	YAUQMFUYORCFAU-CHWSQXEVSA-N	-1	3	366.487	2.142	20	30		FEEDHM
CC(C)(C)[C@@H](CO)[N-]S(=O)(=O)c1cccc(Br)c1C#N	ZINC000330482655	554127278	/nfs/dbraw/zinc/12/72/78/554127278.db2.gz	ULDXLIYWTUGTRD-GFCCVEGCSA-N	-1	3	361.261	2.006	20	30		FEEDHM
COCC[C@@](C)(C#N)[N-]S(=O)(=O)Cc1cccc(C(F)(F)F)c1	ZINC000508069347	561750066	/nfs/dbraw/zinc/75/00/66/561750066.db2.gz	QQNBUAUZNDCCRO-ZDUSSCGKSA-N	-1	3	350.362	2.444	20	30		FEEDHM
CC(C)(C)[C@@H](O)C[N-]S(=O)(=O)c1cccc(Br)c1C#N	ZINC000330665866	554153371	/nfs/dbraw/zinc/15/33/71/554153371.db2.gz	HKXNBWRSWVYFPU-LBPRGKRZSA-N	-1	3	361.261	2.006	20	30		FEEDHM
C=CC[C@H](CC)[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)NC)c1OC	ZINC000509719904	561811718	/nfs/dbraw/zinc/81/17/18/561811718.db2.gz	PILCIIQCOHPRNU-NSHDSACASA-N	-1	3	360.863	2.341	20	30		FEEDHM
N#Cc1ccc(N2CCC[C@@H]([N-]S(=O)(=O)[C@@H]3C[C@@H]4CC[C@H]3C4)C2=O)cc1	ZINC000333192132	554586806	/nfs/dbraw/zinc/58/68/06/554586806.db2.gz	SKRXHPYTVLEVMS-CYGHRXIMSA-N	-1	3	373.478	2.162	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(-c2nc(-c3coc(C)n3)no2)ccc1F	ZINC000350327144	554779276	/nfs/dbraw/zinc/77/92/76/554779276.db2.gz	SGHIUESRKYBZHO-UHFFFAOYSA-N	-1	3	364.358	2.303	20	30		FEEDHM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]CC1(C(F)(F)F)CCC1	ZINC000511368296	561866964	/nfs/dbraw/zinc/86/69/64/561866964.db2.gz	XPLWVNJIYMBBKA-UHFFFAOYSA-N	-1	3	363.317	2.477	20	30		FEEDHM
CCc1cc(C(=O)N2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)ccc1[O-]	ZINC000365888181	555692851	/nfs/dbraw/zinc/69/28/51/555692851.db2.gz	KRYPMACPPFMQSX-VFNWGFHPSA-N	-1	3	361.401	2.440	20	30		FEEDHM
Cc1noc(C2CCC([N-]S(=O)(=O)c3ccc(C#N)s3)CC2)n1	ZINC000366625217	555894145	/nfs/dbraw/zinc/89/41/45/555894145.db2.gz	SVYZYDQCAXUKTI-UHFFFAOYSA-N	-1	3	352.441	2.316	20	30		FEEDHM
Cn1cc2c(n1)CCC[C@@H]2[N-]S(=O)(=O)c1cccc(Cl)c1C#N	ZINC000366970418	555985703	/nfs/dbraw/zinc/98/57/03/555985703.db2.gz	RTLVWDMNEHBATI-AWEZNQCLSA-N	-1	3	350.831	2.301	20	30		FEEDHM
COC(=O)[C@@]12CCC[C@H]1CN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C2	ZINC000369989032	556750053	/nfs/dbraw/zinc/75/00/53/556750053.db2.gz	XEJZLKILVJIMRH-VBKZILBWSA-N	-1	3	371.437	2.010	20	30		FEEDHM
COc1cccc(CC[N-]S(=O)(=O)c2ccc(C#N)s2)c1OC	ZINC000518059981	562103501	/nfs/dbraw/zinc/10/35/01/562103501.db2.gz	AGZJYLOYTUMRJU-UHFFFAOYSA-N	-1	3	352.437	2.158	20	30		FEEDHM
CC(C)(C)CN(CCC#N)C(=O)CCn1[n-]c(=O)c2ccccc2c1=O	ZINC000517832682	562098891	/nfs/dbraw/zinc/09/88/91/562098891.db2.gz	KJUIXHJUWKHILO-UHFFFAOYSA-N	-1	3	356.426	2.281	20	30		FEEDHM
COc1cc(C(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)cc(OC)c1[O-]	ZINC000372325870	557440387	/nfs/dbraw/zinc/44/03/87/557440387.db2.gz	MZHIOWNAPBCVCK-SFHVURJKSA-N	-1	3	368.389	2.495	20	30		FEEDHM
Cc1nc(C[N-]S(=O)(=O)CC2(C#N)CCC2)sc1Br	ZINC000519687238	562139951	/nfs/dbraw/zinc/13/99/51/562139951.db2.gz	ONDASABSJNRPLO-UHFFFAOYSA-N	-1	3	364.290	2.327	20	30		FEEDHM
N#Cc1ncn(C2CCN(C(=O)c3ccc4c(c3[O-])CCCC4)CC2)n1	ZINC000373419934	557690304	/nfs/dbraw/zinc/69/03/04/557690304.db2.gz	WYROVZAHDHOKSW-UHFFFAOYSA-N	-1	3	351.410	2.211	20	30		FEEDHM
N#Cc1cccc(CCNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])c1	ZINC000374099645	557823442	/nfs/dbraw/zinc/82/34/42/557823442.db2.gz	OLRGPYUVPQWRPN-SFHVURJKSA-N	-1	3	363.417	2.227	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)c1cccnc1C#N)c1nccn1-c1ccccc1	ZINC000376368066	558163849	/nfs/dbraw/zinc/16/38/49/558163849.db2.gz	RYTJKFMKQXKFRV-CYBMUJFWSA-N	-1	3	353.407	2.178	20	30		FEEDHM
COc1c([O-])c(CNc2cnn(-c3ncccc3C#N)c2)ccc1[N+](=O)[O-]	ZINC000377193588	558285448	/nfs/dbraw/zinc/28/54/48/558285448.db2.gz	CSCCUIVKZWOMSU-UHFFFAOYSA-N	-1	3	366.337	2.373	20	30		FEEDHM
CCN(CCC#N)S(=O)(=O)[N-][C@@H](C(=O)OC(C)(C)C)c1ccccc1	ZINC000409481770	558695870	/nfs/dbraw/zinc/69/58/70/558695870.db2.gz	BORFVSMQJDXXCM-OAHLLOKOSA-N	-1	3	367.471	2.139	20	30		FEEDHM
COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)cn1	ZINC000525867477	562257915	/nfs/dbraw/zinc/25/79/15/562257915.db2.gz	ALJBYIBVUSKLJO-UHFFFAOYSA-N	-1	3	351.771	2.194	20	30		FEEDHM
Cc1nccn1C[C@H](C)C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl	ZINC000414459587	559165517	/nfs/dbraw/zinc/16/55/17/559165517.db2.gz	BOVMRPQDAMTNDM-LLVKDONJSA-N	-1	3	352.847	2.331	20	30		FEEDHM
Cc1nn(C)cc1C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N	ZINC000416456725	559314335	/nfs/dbraw/zinc/31/43/35/559314335.db2.gz	MJJDKXBFZVJULN-UHFFFAOYSA-N	-1	3	358.345	2.098	20	30		FEEDHM
C[C@@H]1COCC[C@H]1[N-]S(=O)(=O)c1cc(Br)ccc1C#N	ZINC000416471149	559315709	/nfs/dbraw/zinc/31/57/09/559315709.db2.gz	OTEJKVLPGVJNDR-BXKDBHETSA-N	-1	3	359.245	2.024	20	30		FEEDHM
C[C@@H]1COCC[C@@H]1C[N-]S(=O)(=O)c1cc(Br)ccc1C#N	ZINC000416485810	559316832	/nfs/dbraw/zinc/31/68/32/559316832.db2.gz	GOONAEKHKXYUFY-ZYHUDNBSSA-N	-1	3	373.272	2.272	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)c1csnn1	ZINC000416636829	559326706	/nfs/dbraw/zinc/32/67/06/559326706.db2.gz	SNILIHFMGNTWGH-ZETCQYMHSA-N	-1	3	362.358	2.468	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H](CO)C2)c(C(F)(F)F)c1	ZINC000416645488	559327290	/nfs/dbraw/zinc/32/72/90/559327290.db2.gz	UOJZANWYWZWJKD-NWDGAFQWSA-N	-1	3	362.373	2.406	20	30		FEEDHM
N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@@H]1CC[C@H](C#N)C1	ZINC000425187208	559690028	/nfs/dbraw/zinc/69/00/28/559690028.db2.gz	DWWDNLFVBDDKGL-VHSXEESVSA-N	-1	3	354.229	2.291	20	30		FEEDHM
Cc1ccc([C@@H](C[N-]S(=O)(=O)c2cccnc2C#N)N2CCCC2)cc1	ZINC000428238445	559772141	/nfs/dbraw/zinc/77/21/41/559772141.db2.gz	DJIOYOCSUKCMFF-GOSISDBHSA-N	-1	3	370.478	2.377	20	30		FEEDHM
CC(C)(C)OC(=O)c1ccc(C[N-]S(=O)(=O)c2cccnc2C#N)cc1	ZINC000428393830	559774609	/nfs/dbraw/zinc/77/46/09/559774609.db2.gz	PUMGBOBENAIGLX-UHFFFAOYSA-N	-1	3	373.434	2.387	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-][C@@H]1CCN(c2ccc(Cl)cc2)C1	ZINC000428409753	559775085	/nfs/dbraw/zinc/77/50/85/559775085.db2.gz	WJAXWKLFVMUGBG-CYBMUJFWSA-N	-1	3	362.842	2.164	20	30		FEEDHM
COCCn1nc(C)c(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1C	ZINC000430900302	559829863	/nfs/dbraw/zinc/82/98/63/559829863.db2.gz	MWFHJBAWSGGPDH-UHFFFAOYSA-N	-1	3	371.441	2.307	20	30		FEEDHM
N#Cc1cc(F)ccc1NC(=O)CCn1[n-]c(=O)c2ccccc2c1=O	ZINC000433969532	559891578	/nfs/dbraw/zinc/89/15/78/559891578.db2.gz	LRPMSSLCVQUUKY-UHFFFAOYSA-N	-1	3	352.325	2.142	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-][C@H](CC(N)=O)c2cccc(Cl)c2)s1	ZINC000435439641	559923171	/nfs/dbraw/zinc/92/31/71/559923171.db2.gz	UDWBYHQJOLCWGD-GFCCVEGCSA-N	-1	3	369.855	2.168	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]CCc2cnn(-c3ccccc3)c2)s1	ZINC000435445878	559923337	/nfs/dbraw/zinc/92/33/37/559923337.db2.gz	YMRYPUVMJZWJEN-UHFFFAOYSA-N	-1	3	358.448	2.326	20	30		FEEDHM
C=C[C@@](C)(CCOC)C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1	ZINC000438013035	559972958	/nfs/dbraw/zinc/97/29/58/559972958.db2.gz	RCKKTJNRUVHWTR-FQEVSTJZSA-N	-1	3	360.454	2.342	20	30		FEEDHM
CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N(C)Cc1ccc(C#N)cc1	ZINC000441630751	560036470	/nfs/dbraw/zinc/03/64/70/560036470.db2.gz	FZRKRLQYPZMTLQ-UHFFFAOYSA-N	-1	3	371.418	2.394	20	30		FEEDHM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1CCc2ccccc2C1	ZINC000443038602	560067077	/nfs/dbraw/zinc/06/70/77/560067077.db2.gz	PAEABJDWQQSKRW-CQSZACIVSA-N	-1	3	357.391	2.302	20	30		FEEDHM
N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@H](CO)c1cccc(F)c1	ZINC000443263117	560076791	/nfs/dbraw/zinc/07/67/91/560076791.db2.gz	LYHXCVAFXHYPIZ-CQSZACIVSA-N	-1	3	354.790	2.363	20	30		FEEDHM
C=CCN(CC=C)C(=O)C1([N-]S(=O)(=O)c2c(C)noc2C)CCCC1	ZINC000448541994	560189319	/nfs/dbraw/zinc/18/93/19/560189319.db2.gz	JTCWJXASNKIRHS-UHFFFAOYSA-N	-1	3	367.471	2.083	20	30		FEEDHM
N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]C1(CF)CCOCC1	ZINC000451734364	560325626	/nfs/dbraw/zinc/32/56/26/560325626.db2.gz	IGMYJUYPJGPUDH-UHFFFAOYSA-N	-1	3	366.336	2.374	20	30		FEEDHM
CCOC(=O)C[C@@H]([N-]S(=O)(=O)c1cccc(C)c1C#N)c1ccncc1	ZINC000452052849	560348147	/nfs/dbraw/zinc/34/81/47/560348147.db2.gz	WNPVQSUFLSYZPU-MRXNPFEDSA-N	-1	3	373.434	2.235	20	30		FEEDHM
C=C(C)CCNC(=O)[C@H](CCSC)[N-]S(=O)(=O)c1ccccc1F	ZINC000452722612	560372159	/nfs/dbraw/zinc/37/21/59/560372159.db2.gz	KQBCRASKUJZUEM-AWEZNQCLSA-N	-1	3	374.503	2.308	20	30		FEEDHM
COC[C@](C)(NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C(F)(F)F	ZINC000464504702	560843576	/nfs/dbraw/zinc/84/35/76/560843576.db2.gz	LJZGLTFBCICPFH-HNNXBMFYSA-N	-1	3	359.348	2.292	20	30		FEEDHM
COc1cc(CCO)ccc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C	ZINC000468163431	560924049	/nfs/dbraw/zinc/92/40/49/560924049.db2.gz	IWIFADUDDOMPGM-UHFFFAOYSA-N	-1	3	369.421	2.390	20	30		FEEDHM
CC[C@H](CC#N)NC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1	ZINC000472518805	561028418	/nfs/dbraw/zinc/02/84/18/561028418.db2.gz	SDLNMQTZGDRSIE-LLVKDONJSA-N	-1	3	363.361	2.499	20	30		FEEDHM
N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H](O)CCc2ccccc2)c1	ZINC000476220692	561113565	/nfs/dbraw/zinc/11/35/65/561113565.db2.gz	NFTKHXICDDWENR-OAHLLOKOSA-N	-1	3	364.854	2.484	20	30		FEEDHM
N#Cc1ccc(N2CCN(C(=O)c3cccc([O-])c3)CC2)cc1[N+](=O)[O-]	ZINC000533224269	562501905	/nfs/dbraw/zinc/50/19/05/562501905.db2.gz	HTKQHBNDQZVRDY-UHFFFAOYSA-N	-1	3	352.350	2.134	20	30		FEEDHM
C[C@]1(CO)CCC[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000536153821	562573358	/nfs/dbraw/zinc/57/33/58/562573358.db2.gz	AFPHCLURMZFNJY-UONOGXRCSA-N	-1	3	362.373	2.406	20	30		FEEDHM
C[C@@]1(CO)CCC[C@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000536153820	562573425	/nfs/dbraw/zinc/57/34/25/562573425.db2.gz	AFPHCLURMZFNJY-KGLIPLIRSA-N	-1	3	362.373	2.406	20	30		FEEDHM
COCC[C@H](Cc1ccco1)[N-]S(=O)(=O)c1ccc(C#N)cc1F	ZINC000541313360	562608726	/nfs/dbraw/zinc/60/87/26/562608726.db2.gz	TXCZBVGMRNTKRP-CYBMUJFWSA-N	-1	3	352.387	2.216	20	30		FEEDHM
C[C@]1(c2ccc(-c3noc(Cc4cccc(C#N)c4)n3)cc2)NC(=O)[N-]C1=O	ZINC000545535619	562628586	/nfs/dbraw/zinc/62/85/86/562628586.db2.gz	ZPRMKMLUNRDWPS-HXUWFJFHSA-N	-1	3	373.372	2.254	20	30		FEEDHM
N#C[C@H](NC(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)cc1	ZINC000737676731	598826222	/nfs/dbraw/zinc/82/62/22/598826222.db2.gz	XJWHVCOHXLXAIE-HNNXBMFYSA-N	-1	3	352.785	2.444	20	30		FEEDHM
N#C[C@H](NC(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)cc1	ZINC000737676731	598826223	/nfs/dbraw/zinc/82/62/23/598826223.db2.gz	XJWHVCOHXLXAIE-HNNXBMFYSA-N	-1	3	352.785	2.444	20	30		FEEDHM
Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CCOc1cccc(C#N)c1	ZINC000737526155	598827539	/nfs/dbraw/zinc/82/75/39/598827539.db2.gz	XHBHEAKUTPOTAW-UHFFFAOYSA-N	-1	3	372.392	2.384	20	30		FEEDHM
Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CCOc1cccc(C#N)c1	ZINC000737526155	598827541	/nfs/dbraw/zinc/82/75/41/598827541.db2.gz	XHBHEAKUTPOTAW-UHFFFAOYSA-N	-1	3	372.392	2.384	20	30		FEEDHM
Cc1cc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)nn1-c1ccccc1	ZINC000737236465	598927934	/nfs/dbraw/zinc/92/79/34/598927934.db2.gz	LNSRAXMUHXTHJQ-UHFFFAOYSA-N	-1	3	370.376	2.485	20	30		FEEDHM
Cc1cc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)nn1-c1ccccc1	ZINC000737236465	598927936	/nfs/dbraw/zinc/92/79/36/598927936.db2.gz	LNSRAXMUHXTHJQ-UHFFFAOYSA-N	-1	3	370.376	2.485	20	30		FEEDHM
C[C@@H](C#N)CNC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1	ZINC000735502467	599030834	/nfs/dbraw/zinc/03/08/34/599030834.db2.gz	DWKYOJGCSFJGJW-ZDUSSCGKSA-N	-1	3	362.393	2.335	20	30		FEEDHM
C[C@@H](C#N)CNC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1	ZINC000735502467	599030837	/nfs/dbraw/zinc/03/08/37/599030837.db2.gz	DWKYOJGCSFJGJW-ZDUSSCGKSA-N	-1	3	362.393	2.335	20	30		FEEDHM
C#CCOc1cc(F)ccc1NC(=O)COc1ccc(-c2nn[n-]n2)cc1	ZINC000735381257	599093049	/nfs/dbraw/zinc/09/30/49/599093049.db2.gz	RXCPOUHOYOATBO-UHFFFAOYSA-N	-1	3	367.340	2.035	20	30		FEEDHM
CC#CCSc1nc(N)c(C(=O)Nc2ccccc2)cc1-c1nnn[n-]1	ZINC000819764727	599122724	/nfs/dbraw/zinc/12/27/24/599122724.db2.gz	KNWXXPXGMWKTNL-UHFFFAOYSA-N	-1	3	365.422	2.212	20	30		FEEDHM
CC#CCSc1nc(N)c(C(=O)Nc2ccccc2)cc1-c1nn[n-]n1	ZINC000819764727	599122726	/nfs/dbraw/zinc/12/27/26/599122726.db2.gz	KNWXXPXGMWKTNL-UHFFFAOYSA-N	-1	3	365.422	2.212	20	30		FEEDHM
Cc1noc(-c2ccccc2C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)n1	ZINC000737534554	599191768	/nfs/dbraw/zinc/19/17/68/599191768.db2.gz	PQOSGWIKDFXKIQ-UHFFFAOYSA-N	-1	3	372.348	2.349	20	30		FEEDHM
Cc1noc(-c2ccccc2C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)n1	ZINC000737534554	599191770	/nfs/dbraw/zinc/19/17/70/599191770.db2.gz	PQOSGWIKDFXKIQ-UHFFFAOYSA-N	-1	3	372.348	2.349	20	30		FEEDHM
C[C@@H](NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1ccc(C#N)cc1	ZINC000820366437	599259545	/nfs/dbraw/zinc/25/95/45/599259545.db2.gz	OHPQIPRXMOCWES-LLVKDONJSA-N	-1	3	365.372	2.438	20	30		FEEDHM
C[C@@H](NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1ccc(C#N)cc1	ZINC000820366437	599259548	/nfs/dbraw/zinc/25/95/48/599259548.db2.gz	OHPQIPRXMOCWES-LLVKDONJSA-N	-1	3	365.372	2.438	20	30		FEEDHM
C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N(CCC#N)CC(C)(C)C	ZINC000736166479	598242016	/nfs/dbraw/zinc/24/20/16/598242016.db2.gz	AMXPIVNAXBZXGM-ZDUSSCGKSA-N	-1	3	356.430	2.422	20	30		FEEDHM
CS(=O)(=O)Nc1cccc(C(=O)C=Cc2cccc(-c3nnn[n-]3)c2)c1	ZINC000737169472	598296407	/nfs/dbraw/zinc/29/64/07/598296407.db2.gz	YYCGZMLZAFLHGL-CMDGGOBGSA-N	-1	3	369.406	2.134	20	30		FEEDHM
CS(=O)(=O)Nc1cccc(C(=O)C=Cc2cccc(-c3nn[n-]n3)c2)c1	ZINC000737169472	598296408	/nfs/dbraw/zinc/29/64/08/598296408.db2.gz	YYCGZMLZAFLHGL-CMDGGOBGSA-N	-1	3	369.406	2.134	20	30		FEEDHM
C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCC#Cc1ccc(F)cc1	ZINC000820548571	607352135	/nfs/dbraw/zinc/35/21/35/607352135.db2.gz	CGJJLNJOVKRARZ-CYBMUJFWSA-N	-1	3	366.352	2.368	20	30		FEEDHM
C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OCC#Cc1ccc(F)cc1	ZINC000820548571	607352137	/nfs/dbraw/zinc/35/21/37/607352137.db2.gz	CGJJLNJOVKRARZ-CYBMUJFWSA-N	-1	3	366.352	2.368	20	30		FEEDHM
N#CCOc1ccc(C=C2N=C(c3ccc(-c4nnn[n-]4)cc3)OC2=O)cc1	ZINC000737696768	598378764	/nfs/dbraw/zinc/37/87/64/598378764.db2.gz	VYTYSKULYLGMNY-WJDWOHSUSA-N	-1	3	372.344	2.114	20	30		FEEDHM
N#CCOc1ccc(C=C2N=C(c3ccc(-c4nn[n-]n4)cc3)OC2=O)cc1	ZINC000737696768	598378765	/nfs/dbraw/zinc/37/87/65/598378765.db2.gz	VYTYSKULYLGMNY-WJDWOHSUSA-N	-1	3	372.344	2.114	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cnn2ccc(C)nc12	ZINC000735420876	598513115	/nfs/dbraw/zinc/51/31/15/598513115.db2.gz	VHBBITBWWVCYTQ-UHFFFAOYSA-N	-1	3	374.408	2.046	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cnn2ccc(C)nc12	ZINC000735420876	598513117	/nfs/dbraw/zinc/51/31/17/598513117.db2.gz	VHBBITBWWVCYTQ-UHFFFAOYSA-N	-1	3	374.408	2.046	20	30		FEEDHM
CC[C@@H](C#N)NC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1	ZINC000736310087	598549522	/nfs/dbraw/zinc/54/95/22/598549522.db2.gz	UQNKULAYQIICFP-LBPRGKRZSA-N	-1	3	352.354	2.071	20	30		FEEDHM
Cc1cc(C(=O)N(CC#N)C2CC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1	ZINC000737228031	598611780	/nfs/dbraw/zinc/61/17/80/598611780.db2.gz	SBOOBSUFXHXZJX-UHFFFAOYSA-N	-1	3	361.409	2.402	20	30		FEEDHM
Cc1c(C(=O)C=Cc2cnn3ccccc23)c(-c2nnn[n-]2)c2n1CCC2	ZINC000737203784	598639690	/nfs/dbraw/zinc/63/96/90/598639690.db2.gz	WCTSJSHOMNQKFJ-FPLPWBNLSA-N	-1	3	359.393	2.467	20	30		FEEDHM
Cc1c(C(=O)C=Cc2cnn3ccccc23)c(-c2nn[n-]n2)c2n1CCC2	ZINC000737203784	598639692	/nfs/dbraw/zinc/63/96/92/598639692.db2.gz	WCTSJSHOMNQKFJ-FPLPWBNLSA-N	-1	3	359.393	2.467	20	30		FEEDHM
C=CCOc1ccccc1CNC(=O)COc1ccccc1-c1nnn[n-]1	ZINC000735437183	598667346	/nfs/dbraw/zinc/66/73/46/598667346.db2.gz	ZGWBNZRYQIMXKP-UHFFFAOYSA-N	-1	3	365.393	2.127	20	30		FEEDHM
C=CCOc1ccccc1CNC(=O)COc1ccccc1-c1nn[n-]n1	ZINC000735437183	598667348	/nfs/dbraw/zinc/66/73/48/598667348.db2.gz	ZGWBNZRYQIMXKP-UHFFFAOYSA-N	-1	3	365.393	2.127	20	30		FEEDHM
O=C(C=NOCc1ccc(F)cc1-c1nnn[n-]1)Nc1ccc(F)cc1	ZINC000737810687	598674960	/nfs/dbraw/zinc/67/49/60/598674960.db2.gz	YZUSULUHPRCANY-UHFFFAOYSA-N	-1	3	358.308	2.286	20	30		FEEDHM
O=C(C=NOCc1ccc(F)cc1-c1nn[n-]n1)Nc1ccc(F)cc1	ZINC000737810687	598674962	/nfs/dbraw/zinc/67/49/62/598674962.db2.gz	YZUSULUHPRCANY-UHFFFAOYSA-N	-1	3	358.308	2.286	20	30		FEEDHM
C#CCCS(=O)(=O)[N-]C1(c2noc([C@H]3CCOC3)n2)CCCCCC1	ZINC000808303102	674450998	/nfs/dbraw/zinc/45/09/98/674450998.db2.gz	RUROZYLEDGNHCW-AWEZNQCLSA-N	-1	3	367.471	2.066	20	30		FEEDHM
CCN(CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)C[C@@H](C)C#N	ZINC000736533586	598759984	/nfs/dbraw/zinc/75/99/84/598759984.db2.gz	ACYMMJAJAQDRJQ-NSHDSACASA-N	-1	3	373.486	2.227	20	30		FEEDHM
Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N[C@@H](C)c1cccc(C#N)c1	ZINC000822223584	599326384	/nfs/dbraw/zinc/32/63/84/599326384.db2.gz	CEBDRLOUPGXDOG-LBPRGKRZSA-N	-1	3	368.422	2.086	20	30		FEEDHM
Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N[C@@H](C)c1cccc(C#N)c1	ZINC000822223584	599326385	/nfs/dbraw/zinc/32/63/85/599326385.db2.gz	CEBDRLOUPGXDOG-LBPRGKRZSA-N	-1	3	368.422	2.086	20	30		FEEDHM
C#CCOc1cc(F)ccc1NCC(=O)Nc1cccc(-c2nnn[n-]2)c1	ZINC000735380767	599329783	/nfs/dbraw/zinc/32/97/83/599329783.db2.gz	MLBBYBCWITVJAG-UHFFFAOYSA-N	-1	3	366.356	2.068	20	30		FEEDHM
C#CCOc1cc(F)ccc1NCC(=O)Nc1cccc(-c2nn[n-]n2)c1	ZINC000735380767	599329787	/nfs/dbraw/zinc/32/97/87/599329787.db2.gz	MLBBYBCWITVJAG-UHFFFAOYSA-N	-1	3	366.356	2.068	20	30		FEEDHM
Cc1cc(C#N)ccc1S(=O)(=O)Oc1c(C)cc(-c2nnn[n-]2)cc1C	ZINC000822161965	599360804	/nfs/dbraw/zinc/36/08/04/599360804.db2.gz	VOQMELMZHQYUFL-UHFFFAOYSA-N	-1	3	369.406	2.431	20	30		FEEDHM
Cc1cc(C#N)ccc1S(=O)(=O)Oc1c(C)cc(-c2nn[n-]n2)cc1C	ZINC000822161965	599360806	/nfs/dbraw/zinc/36/08/06/599360806.db2.gz	VOQMELMZHQYUFL-UHFFFAOYSA-N	-1	3	369.406	2.431	20	30		FEEDHM
CCN(C[C@H](C)C#N)C(=O)CNc1ccc(OC(C)C)c(-c2nnn[n-]2)c1	ZINC000821170831	607372917	/nfs/dbraw/zinc/37/29/17/607372917.db2.gz	XDZWPCCIPRPXSV-CYBMUJFWSA-N	-1	3	371.445	2.074	20	30		FEEDHM
CCN(C[C@H](C)C#N)C(=O)CNc1ccc(OC(C)C)c(-c2nn[n-]n2)c1	ZINC000821170831	607372919	/nfs/dbraw/zinc/37/29/19/607372919.db2.gz	XDZWPCCIPRPXSV-CYBMUJFWSA-N	-1	3	371.445	2.074	20	30		FEEDHM
COc1ccc2c(c1)C(=O)C(=Cc1cnc3ccc(-c4nnn[n-]4)cn13)CO2	ZINC000737113220	599463282	/nfs/dbraw/zinc/46/32/82/599463282.db2.gz	ADQWZMYZVCEJNT-SDQBBNPISA-N	-1	3	374.360	2.182	20	30		FEEDHM
COc1ccc2c(c1)C(=O)C(=Cc1cnc3ccc(-c4nn[n-]n4)cn13)CO2	ZINC000737113220	599463285	/nfs/dbraw/zinc/46/32/85/599463285.db2.gz	ADQWZMYZVCEJNT-SDQBBNPISA-N	-1	3	374.360	2.182	20	30		FEEDHM
CCOC(=O)c1ccc(-c2nnn[n-]2)c(SCCCSCC#N)n1	ZINC000821342783	599689907	/nfs/dbraw/zinc/68/99/07/599689907.db2.gz	HBJZXARNGWAKDY-UHFFFAOYSA-N	-1	3	364.456	2.177	20	30		FEEDHM
CCOC(=O)c1ccc(-c2nn[n-]n2)c(SCCCSCC#N)n1	ZINC000821342783	599689908	/nfs/dbraw/zinc/68/99/08/599689908.db2.gz	HBJZXARNGWAKDY-UHFFFAOYSA-N	-1	3	364.456	2.177	20	30		FEEDHM
Cc1occc1C(=O)NC1CCN([C@H](C(=O)[O-])c2cccc(C#N)c2)CC1	ZINC000833030306	601314005	/nfs/dbraw/zinc/31/40/05/601314005.db2.gz	UEXNTNNKLFMVCA-SFHVURJKSA-N	-1	3	367.405	2.480	20	30		FEEDHM
Cc1cccc(S(=O)(=O)N(CCC#N)c2ccccc2)c1-c1nnn[n-]1	ZINC000826301077	607535609	/nfs/dbraw/zinc/53/56/09/607535609.db2.gz	QEKSXUFXATXUOP-UHFFFAOYSA-N	-1	3	368.422	2.284	20	30		FEEDHM
Cc1cccc(S(=O)(=O)N(CCC#N)c2ccccc2)c1-c1nn[n-]n1	ZINC000826301077	607535611	/nfs/dbraw/zinc/53/56/11/607535611.db2.gz	QEKSXUFXATXUOP-UHFFFAOYSA-N	-1	3	368.422	2.284	20	30		FEEDHM
Cc1ccc(Cc2noc(C/N=C3/[N-]S(=O)(=O)c4ccccc43)n2)s1	ZINC000809535413	674496087	/nfs/dbraw/zinc/49/60/87/674496087.db2.gz	HTCGZFUWYYFSSW-UHFFFAOYSA-N	-1	3	374.447	2.269	20	30		FEEDHM
COc1ccc(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1C#N	ZINC000826203894	607559801	/nfs/dbraw/zinc/55/98/01/607559801.db2.gz	LBSZOIBPZIYYQK-UHFFFAOYSA-N	-1	3	351.326	2.267	20	30		FEEDHM
COc1ccc(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1C#N	ZINC000826203894	607559802	/nfs/dbraw/zinc/55/98/02/607559802.db2.gz	LBSZOIBPZIYYQK-UHFFFAOYSA-N	-1	3	351.326	2.267	20	30		FEEDHM
COCCN(CC(=O)C(C#N)c1nc(-c2ccncc2)cs1)C(=O)[O-]	ZINC000739814577	603170227	/nfs/dbraw/zinc/17/02/27/603170227.db2.gz	UBSNSDCDURVACR-LBPRGKRZSA-N	-1	3	360.395	2.008	20	30		FEEDHM
CN(CC(=O)C(C#N)c1nc2ccccc2s1)[C@H]1CCN(C(=O)[O-])C1	ZINC000828086219	603533607	/nfs/dbraw/zinc/53/36/07/603533607.db2.gz	QGASMWJAEDVPAK-NWDGAFQWSA-N	-1	3	358.423	2.157	20	30		FEEDHM
N#Cc1cccc(CN2CCC[C@@H](CNC(=O)[C@H]3CCCN3C(=O)[O-])C2)c1	ZINC000833978883	605517149	/nfs/dbraw/zinc/51/71/49/605517149.db2.gz	ZVQCRARSAWWUDD-ZWKOTPCHSA-N	-1	3	370.453	2.029	20	30		FEEDHM
C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccc(F)cc1C#N	ZINC000820541869	606267793	/nfs/dbraw/zinc/26/77/93/606267793.db2.gz	JMIPRFUCZAEGGS-JTQLQIEISA-N	-1	3	352.329	2.283	20	30		FEEDHM
C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccc(F)cc1C#N	ZINC000820541869	606267794	/nfs/dbraw/zinc/26/77/94/606267794.db2.gz	JMIPRFUCZAEGGS-JTQLQIEISA-N	-1	3	352.329	2.283	20	30		FEEDHM
Cc1nc(-c2nnn[n-]2)c(N=NC2CN(Cc3ccccc3)C[C@H]2C)o1	ZINC000822423503	606339878	/nfs/dbraw/zinc/33/98/78/606339878.db2.gz	LKXHIHFKJKYDJE-LLVKDONJSA-N	-1	3	352.402	2.083	20	30		FEEDHM
C=CCNC(=O)[C@H](C)SCc1ccc(-c2nnn[n-]2)cc1OC(F)F	ZINC000819751135	606597672	/nfs/dbraw/zinc/59/76/72/606597672.db2.gz	RJKJJPFBMWXPOF-VIFPVBQESA-N	-1	3	369.397	2.392	20	30		FEEDHM
C=CCNC(=O)[C@H](C)SCc1ccc(-c2nn[n-]n2)cc1OC(F)F	ZINC000819751135	606597673	/nfs/dbraw/zinc/59/76/73/606597673.db2.gz	RJKJJPFBMWXPOF-VIFPVBQESA-N	-1	3	369.397	2.392	20	30		FEEDHM
O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1c[nH]c2ncccc12	ZINC000822936628	606778189	/nfs/dbraw/zinc/77/81/89/606778189.db2.gz	WJKNWZGTNYPKSK-SNAWJCMRSA-N	-1	3	356.349	2.287	20	30		FEEDHM
O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1c[nH]c2ncccc12	ZINC000822936628	606778190	/nfs/dbraw/zinc/77/81/90/606778190.db2.gz	WJKNWZGTNYPKSK-SNAWJCMRSA-N	-1	3	356.349	2.287	20	30		FEEDHM
C=C(C)COCCNC(=O)c1cc(C2CC2)nc(SC)c1-c1nnn[n-]1	ZINC000819722238	606803786	/nfs/dbraw/zinc/80/37/86/606803786.db2.gz	DZUWNTRWWATPJJ-UHFFFAOYSA-N	-1	3	374.470	2.184	20	30		FEEDHM
C[C@](C#N)(NC(=O)CSc1ccc(-c2nnn[n-]2)cc1Cl)C1CC1	ZINC000819844325	606851146	/nfs/dbraw/zinc/85/11/46/606851146.db2.gz	CRAQPGZMMQLOCD-OAHLLOKOSA-N	-1	3	362.846	2.421	20	30		FEEDHM
C[C@](C#N)(NC(=O)CSc1ccc(-c2nn[n-]n2)cc1Cl)C1CC1	ZINC000819844325	606851147	/nfs/dbraw/zinc/85/11/47/606851147.db2.gz	CRAQPGZMMQLOCD-OAHLLOKOSA-N	-1	3	362.846	2.421	20	30		FEEDHM
N#Cc1ccc(C(=O)NCc2nc(-c3cccc(-c4nnn[n-]4)c3)c[nH]2)cc1	ZINC000822823823	607187660	/nfs/dbraw/zinc/18/76/60/607187660.db2.gz	ZUEIUFGFNPDYTE-UHFFFAOYSA-N	-1	3	370.376	2.058	20	30		FEEDHM
N#Cc1ccc(C(=O)NCc2nc(-c3cccc(-c4nn[n-]n4)c3)c[nH]2)cc1	ZINC000822823823	607187661	/nfs/dbraw/zinc/18/76/61/607187661.db2.gz	ZUEIUFGFNPDYTE-UHFFFAOYSA-N	-1	3	370.376	2.058	20	30		FEEDHM
N#CCOc1ccc(CC(=O)Oc2ccc(-c3nnn[n-]3)cc2F)cc1	ZINC000822814938	607247193	/nfs/dbraw/zinc/24/71/93/607247193.db2.gz	LTFOAOTWBYHUCT-UHFFFAOYSA-N	-1	3	353.313	2.056	20	30		FEEDHM
N#CCOc1ccc(CC(=O)Oc2ccc(-c3nn[n-]n3)cc2F)cc1	ZINC000822814938	607247194	/nfs/dbraw/zinc/24/71/94/607247194.db2.gz	LTFOAOTWBYHUCT-UHFFFAOYSA-N	-1	3	353.313	2.056	20	30		FEEDHM
N#Cc1c(Cl)nsc1N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1	ZINC000826383063	608053515	/nfs/dbraw/zinc/05/35/15/608053515.db2.gz	IQYGEENRUINVNT-LBPRGKRZSA-N	-1	3	373.829	2.426	20	30		FEEDHM
N#Cc1c(Cl)nsc1N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1	ZINC000826383063	608053516	/nfs/dbraw/zinc/05/35/16/608053516.db2.gz	IQYGEENRUINVNT-LBPRGKRZSA-N	-1	3	373.829	2.426	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2ccc(OCC(F)F)nc2)cc1-c1nnn[n-]1	ZINC000826385468	608064767	/nfs/dbraw/zinc/06/47/67/608064767.db2.gz	NOWAMRMTRQWGLJ-UHFFFAOYSA-N	-1	3	371.307	2.030	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2ccc(OCC(F)F)nc2)cc1-c1nn[n-]n1	ZINC000826385468	608064768	/nfs/dbraw/zinc/06/47/68/608064768.db2.gz	NOWAMRMTRQWGLJ-UHFFFAOYSA-N	-1	3	371.307	2.030	20	30		FEEDHM
N#Cc1ccc(NC(=O)C2=Cc3cc(F)ccc3OC2)cc1-c1nnn[n-]1	ZINC000826385488	608064844	/nfs/dbraw/zinc/06/48/44/608064844.db2.gz	OKWRPNMBYLUHCP-UHFFFAOYSA-N	-1	3	362.324	2.292	20	30		FEEDHM
N#Cc1ccc(NC(=O)C2=Cc3cc(F)ccc3OC2)cc1-c1nn[n-]n1	ZINC000826385488	608064845	/nfs/dbraw/zinc/06/48/45/608064845.db2.gz	OKWRPNMBYLUHCP-UHFFFAOYSA-N	-1	3	362.324	2.292	20	30		FEEDHM
Cn1cc(C=NNCc2ccc(-c3nnn[n-]3)cc2)c(-c2ccccc2)n1	ZINC000826359715	608218886	/nfs/dbraw/zinc/21/88/86/608218886.db2.gz	OQZUQTVNSZANLX-UHFFFAOYSA-N	-1	3	358.409	2.391	20	30		FEEDHM
Cn1cc(C=NNCc2ccc(-c3nn[n-]n3)cc2)c(-c2ccccc2)n1	ZINC000826359715	608218888	/nfs/dbraw/zinc/21/88/88/608218888.db2.gz	OQZUQTVNSZANLX-UHFFFAOYSA-N	-1	3	358.409	2.391	20	30		FEEDHM
Cc1nc(Cl)ccc1CC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1	ZINC000826327138	608308355	/nfs/dbraw/zinc/30/83/55/608308355.db2.gz	UKBGGRGNTCFASX-UHFFFAOYSA-N	-1	3	353.773	2.276	20	30		FEEDHM
Cc1nc(Cl)ccc1CC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1	ZINC000826327138	608308357	/nfs/dbraw/zinc/30/83/57/608308357.db2.gz	UKBGGRGNTCFASX-UHFFFAOYSA-N	-1	3	353.773	2.276	20	30		FEEDHM
Cc1nn(-c2ccccc2)c(CN(C[C@H](C)C#N)C2CC2)c1-c1nnn[n-]1	ZINC000826331868	608316394	/nfs/dbraw/zinc/31/63/94/608316394.db2.gz	AXJUFSQTROSZPJ-CYBMUJFWSA-N	-1	3	362.441	2.485	20	30		FEEDHM
N#CCSCC(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1	ZINC000826382259	608328063	/nfs/dbraw/zinc/32/80/63/608328063.db2.gz	VWLAIMORGOGFPF-UHFFFAOYSA-N	-1	3	364.434	2.407	20	30		FEEDHM
N#CCSCC(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1	ZINC000826382259	608328064	/nfs/dbraw/zinc/32/80/64/608328064.db2.gz	VWLAIMORGOGFPF-UHFFFAOYSA-N	-1	3	364.434	2.407	20	30		FEEDHM
N#Cc1csc(CN2CCN(c3ccccc3-c3nn[n-]n3)CC2)c1	ZINC000826387887	608515616	/nfs/dbraw/zinc/51/56/16/608515616.db2.gz	XEEJDENPCDJYNU-UHFFFAOYSA-N	-1	3	351.439	2.122	20	30		FEEDHM
Cn1cc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c(C(C)(C)C)n1	ZINC000826358924	608667672	/nfs/dbraw/zinc/66/76/72/608667672.db2.gz	NWLLMVFKXIXZQD-UHFFFAOYSA-N	-1	3	350.386	2.022	20	30		FEEDHM
Cn1cc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c(C(C)(C)C)n1	ZINC000826358924	608667673	/nfs/dbraw/zinc/66/76/73/608667673.db2.gz	NWLLMVFKXIXZQD-UHFFFAOYSA-N	-1	3	350.386	2.022	20	30		FEEDHM
C#CC[C@@H](OC(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1)C1CC1	ZINC000823838230	609150742	/nfs/dbraw/zinc/15/07/42/609150742.db2.gz	MLTXKLOWGUZONC-QGZVFWFLSA-N	-1	3	362.393	2.320	20	30		FEEDHM
C#CC[C@@H](OC(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1)C1CC1	ZINC000823838230	609150743	/nfs/dbraw/zinc/15/07/43/609150743.db2.gz	MLTXKLOWGUZONC-QGZVFWFLSA-N	-1	3	362.393	2.320	20	30		FEEDHM
Cc1nn(C)c2ncc(C=CC(=O)c3ccc(-c4nnn[n-]4)cc3F)cc12	ZINC000826334564	609270356	/nfs/dbraw/zinc/27/03/56/609270356.db2.gz	ZZFLVEICDILMCX-UTCJRWHESA-N	-1	3	363.356	2.492	20	30		FEEDHM
Cc1nn(C)c2ncc(C=CC(=O)c3ccc(-c4nn[n-]n4)cc3F)cc12	ZINC000826334564	609270358	/nfs/dbraw/zinc/27/03/58/609270358.db2.gz	ZZFLVEICDILMCX-UTCJRWHESA-N	-1	3	363.356	2.492	20	30		FEEDHM
CC(=NNC(=S)NCc1ccccc1)c1ccc(-c2nnn[n-]2)cc1F	ZINC000823953849	609273391	/nfs/dbraw/zinc/27/33/91/609273391.db2.gz	SHACGCGWPNLEBD-UHFFFAOYSA-N	-1	3	369.429	2.394	20	30		FEEDHM
CC(=NNC(=S)NCc1ccccc1)c1ccc(-c2nn[n-]n2)cc1F	ZINC000823953849	609273393	/nfs/dbraw/zinc/27/33/93/609273393.db2.gz	SHACGCGWPNLEBD-UHFFFAOYSA-N	-1	3	369.429	2.394	20	30		FEEDHM
CC(=NNC(=S)Nc1cccnc1)c1ccc(-c2nnn[n-]2)cc1F	ZINC000823953517	609275290	/nfs/dbraw/zinc/27/52/90/609275290.db2.gz	DSVBBNSNZAYEAF-UHFFFAOYSA-N	-1	3	356.390	2.111	20	30		FEEDHM
CC(=NNC(=S)Nc1cccnc1)c1ccc(-c2nn[n-]n2)cc1F	ZINC000823953517	609275292	/nfs/dbraw/zinc/27/52/92/609275292.db2.gz	DSVBBNSNZAYEAF-UHFFFAOYSA-N	-1	3	356.390	2.111	20	30		FEEDHM
Cc1nnc(SCCOc2cccc(C#N)c2)c(-c2nnn[n-]2)c1C	ZINC000826336594	609307888	/nfs/dbraw/zinc/30/78/88/609307888.db2.gz	FFVFAIHKTCHHOL-UHFFFAOYSA-N	-1	3	353.411	2.316	20	30		FEEDHM
Cc1nnc(SCCOc2cccc(C#N)c2)c(-c2nn[n-]n2)c1C	ZINC000826336594	609307890	/nfs/dbraw/zinc/30/78/90/609307890.db2.gz	FFVFAIHKTCHHOL-UHFFFAOYSA-N	-1	3	353.411	2.316	20	30		FEEDHM
C=C(Cl)CNC(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1	ZINC000823883570	609359860	/nfs/dbraw/zinc/35/98/60/609359860.db2.gz	UHMVATHEINDMNA-UHFFFAOYSA-N	-1	3	362.756	2.066	20	30		FEEDHM
N#C[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1cccc(C(F)(F)F)c1	ZINC000826380255	609459293	/nfs/dbraw/zinc/45/92/93/609459293.db2.gz	SMXCVGGSEHHGOJ-GFCCVEGCSA-N	-1	3	361.287	2.208	20	30		FEEDHM
N#C[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1cccc(C(F)(F)F)c1	ZINC000826380255	609459294	/nfs/dbraw/zinc/45/92/94/609459294.db2.gz	SMXCVGGSEHHGOJ-GFCCVEGCSA-N	-1	3	361.287	2.208	20	30		FEEDHM
COc1ccc(O)cc1C(C)N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1	ZINC000826210283	609519958	/nfs/dbraw/zinc/51/99/58/609519958.db2.gz	LDBCIGQPTSCDFR-UHFFFAOYSA-N	-1	3	359.777	2.465	20	30		FEEDHM
COc1ccc(O)cc1C(C)N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1	ZINC000826210283	609519960	/nfs/dbraw/zinc/51/99/60/609519960.db2.gz	LDBCIGQPTSCDFR-UHFFFAOYSA-N	-1	3	359.777	2.465	20	30		FEEDHM
COCc1nc(CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cs1	ZINC000562178211	674726815	/nfs/dbraw/zinc/72/68/15/674726815.db2.gz	BYSGZEARPTXHME-UHFFFAOYSA-N	-1	3	360.439	2.128	20	30		FEEDHM
CC(=N[N-]S(=O)(=O)CCc1ccccc1)c1cc([N+](=O)[O-])ccc1N	ZINC000814860631	674884692	/nfs/dbraw/zinc/88/46/92/674884692.db2.gz	RZOLQNITAANZMP-UHFFFAOYSA-N	-1	3	362.411	2.063	20	30		FEEDHM
Cc1cc(COC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)co1	ZINC000816242532	675038286	/nfs/dbraw/zinc/03/82/86/675038286.db2.gz	LLZVLMHWTGXOOL-NSHDSACASA-N	-1	3	362.407	2.149	20	30		FEEDHM
O=C(COc1ccc(C2SCCCS2)cc1)N[C@H]1CCN([O-])C1=O	ZINC000816696201	675073807	/nfs/dbraw/zinc/07/38/07/675073807.db2.gz	UBYUNXPZOLELNW-ZDUSSCGKSA-N	-1	3	368.480	2.040	20	30		FEEDHM
O=C(Nc1cccc(C(=O)N[C@H]2CCCN([O-])C2=O)c1)c1cccs1	ZINC000816758671	675077923	/nfs/dbraw/zinc/07/79/23/675077923.db2.gz	VDMWRSFGEBPADI-ZDUSSCGKSA-N	-1	3	359.407	2.110	20	30		FEEDHM
O=C(N[C@@H]1CCCN([O-])C1=O)c1cc(Cl)cc(Br)c1F	ZINC000816759094	675078004	/nfs/dbraw/zinc/07/80/04/675078004.db2.gz	DYIZAMDFQLOUTQ-SECBINFHSA-N	-1	3	365.586	2.352	20	30		FEEDHM
C=CC[C@H](CO)[N-]S(=O)(=O)c1cccc(Br)c1Cl	ZINC000579694277	671753825	/nfs/dbraw/zinc/75/38/25/671753825.db2.gz	ZWEZCHVQDLTGRN-MRVPVSSYSA-N	-1	3	354.653	2.318	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)CCSC)ccc1F	ZINC000134304555	672122306	/nfs/dbraw/zinc/12/23/06/672122306.db2.gz	MBYYOFBKTUGWBO-LLVKDONJSA-N	-1	3	360.476	2.161	20	30		FEEDHM
N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H]1CC[C@](O)(C(F)(F)F)C1	ZINC000589924457	672548298	/nfs/dbraw/zinc/54/82/98/672548298.db2.gz	XVNHVLRTHLETEB-QPUJVOFHSA-N	-1	3	368.764	2.336	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-][C@@H]2COc3cc(F)cc(F)c32)c(F)c1	ZINC000612172591	676071983	/nfs/dbraw/zinc/07/19/83/676071983.db2.gz	AFWOUGIGNKHZPP-GFCCVEGCSA-N	-1	3	354.309	2.388	20	30		FEEDHM
CC[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C(=O)OC)c1nccs1	ZINC000593548577	672939453	/nfs/dbraw/zinc/93/94/53/672939453.db2.gz	PBEWIZLAIYPTAR-LBPRGKRZSA-N	-1	3	365.436	2.231	20	30		FEEDHM
C#CCC[C@@H](O)C[N-]S(=O)(=O)c1c(Cl)cccc1Br	ZINC000717859011	673076867	/nfs/dbraw/zinc/07/68/67/673076867.db2.gz	IYGKJYWDFUHDNB-SECBINFHSA-N	-1	3	366.664	2.155	20	30		FEEDHM
CO[C@H](CS(=O)(=O)[N-]c1cccc(OCCCC#N)c1)[C@H]1CCOC1	ZINC000594696172	673117493	/nfs/dbraw/zinc/11/74/93/673117493.db2.gz	XQJFPSBMGYSTGU-WMLDXEAASA-N	-1	3	368.455	2.162	20	30		FEEDHM
Cc1ncc(CO)c(C=NN2C(=S)N=NC2c2ccc(F)cc2)c1[O-]	ZINC000730550039	673283804	/nfs/dbraw/zinc/28/38/04/673283804.db2.gz	SNQQIAQJURYBLA-UHFFFAOYSA-N	-1	3	359.386	2.156	20	30		FEEDHM
C=CCC[C@@H]([N-]S(=O)(=O)CCc1c(F)cccc1F)C(=O)OCC	ZINC000599322893	673659181	/nfs/dbraw/zinc/65/91/81/673659181.db2.gz	UHSJRZIZHXEFSY-OAHLLOKOSA-N	-1	3	361.410	2.325	20	30		FEEDHM
C[C@H](CC(=O)NCC1CCCCC1)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000742465988	673728885	/nfs/dbraw/zinc/72/88/85/673728885.db2.gz	NWMUMCPCGZASCC-CYBMUJFWSA-N	-1	3	363.483	2.200	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CC[C@H](SC)C2)ccc1F	ZINC000742744039	673736596	/nfs/dbraw/zinc/73/65/96/673736596.db2.gz	IYIQIFOESRACET-STQMWFEESA-N	-1	3	372.487	2.304	20	30		FEEDHM
CC(=N[N-]S(=O)(=O)CCc1ccccc1)c1ccc2c(c1)CC(=O)N2	ZINC000743448598	673760078	/nfs/dbraw/zinc/76/00/78/673760078.db2.gz	WVKWGOJDCMEEPO-UHFFFAOYSA-N	-1	3	357.435	2.067	20	30		FEEDHM
Cc1c(C([O-])=C(C#N)C(=O)Nc2ccc(SC(F)F)cc2)nnn1C	ZINC000744027135	673779760	/nfs/dbraw/zinc/77/97/60/673779760.db2.gz	JMWINWAQUUHYMM-LLVKDONJSA-N	-1	3	365.365	2.399	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(-c2nc([C@@H]3CCCO3)no2)ccc1F	ZINC000546479521	673800740	/nfs/dbraw/zinc/80/07/40/673800740.db2.gz	OTAAQWVFAQGGEV-LBPRGKRZSA-N	-1	3	353.375	2.192	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]C2(C(=O)Nc3ccccc3)CC2)c(F)c1	ZINC000548297080	673948740	/nfs/dbraw/zinc/94/87/40/673948740.db2.gz	CWTMXTYAWYFRMV-UHFFFAOYSA-N	-1	3	359.382	2.147	20	30		FEEDHM
C=CCc1ccccc1OC[C@@H](O)CN1CCSC[C@@H]1CC(=O)[O-]	ZINC000568063579	675348362	/nfs/dbraw/zinc/34/83/62/675348362.db2.gz	MHNZCWDJLNGGHV-HOTGVXAUSA-N	-1	3	351.468	2.047	20	30		FEEDHM
C=CCc1ccccc1OC[C@@H](O)CN1CCSC[C@H]1CC(=O)[O-]	ZINC000568063578	675348378	/nfs/dbraw/zinc/34/83/78/675348378.db2.gz	MHNZCWDJLNGGHV-CVEARBPZSA-N	-1	3	351.468	2.047	20	30		FEEDHM
O=C(N[C@H]1CCCN([O-])C1=O)c1csc(-c2ccc(F)c(F)c2)n1	ZINC000820476675	675364930	/nfs/dbraw/zinc/36/49/30/675364930.db2.gz	OWYIGMAFIBHITK-NSHDSACASA-N	-1	3	353.350	2.198	20	30		FEEDHM
O=C([N-][C@H]1CCCN(O)C1=O)C(F)(F)c1cccc(Br)c1	ZINC000820544421	675368754	/nfs/dbraw/zinc/36/87/54/675368754.db2.gz	KNNCUPRDOZGXTB-JTQLQIEISA-N	-1	3	363.158	2.037	20	30		FEEDHM
C=CCN(CCc1ccco1)CC(=O)Nc1sccc1-c1nnn[n-]1	ZINC000823910190	675576788	/nfs/dbraw/zinc/57/67/88/675576788.db2.gz	YSJIXIPTJKVVLM-UHFFFAOYSA-N	-1	3	358.427	2.190	20	30		FEEDHM
C=CCN(CCc1ccco1)CC(=O)Nc1sccc1-c1nn[n-]n1	ZINC000823910190	675576789	/nfs/dbraw/zinc/57/67/89/675576789.db2.gz	YSJIXIPTJKVVLM-UHFFFAOYSA-N	-1	3	358.427	2.190	20	30		FEEDHM
C=CCOCCC[N-]S(=O)(=O)c1cc(F)ccc1Br	ZINC000657147654	677962633	/nfs/dbraw/zinc/96/26/33/677962633.db2.gz	DERJUJZNVOCCFR-UHFFFAOYSA-N	-1	3	352.225	2.459	20	30		FEEDHM
N#CC1(NS(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)CCCCC1	ZINC000826380135	675687315	/nfs/dbraw/zinc/68/73/15/675687315.db2.gz	ONIHBDGJKFXHAP-UHFFFAOYSA-N	-1	3	366.834	2.025	20	30		FEEDHM
N#CC1(NS(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)CCCCC1	ZINC000826380135	675687318	/nfs/dbraw/zinc/68/73/18/675687318.db2.gz	ONIHBDGJKFXHAP-UHFFFAOYSA-N	-1	3	366.834	2.025	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)CC1(C#N)CCC1)c1noc(Cc2ccccc2)n1	ZINC000616175789	676241596	/nfs/dbraw/zinc/24/15/96/676241596.db2.gz	QTSVWZLUBLOSOF-ZDUSSCGKSA-N	-1	3	360.439	2.335	20	30		FEEDHM
C=CCN(C(=O)c1cc([O-])cc(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1	ZINC000621932970	676481551	/nfs/dbraw/zinc/48/15/51/676481551.db2.gz	QYAVYSRLAHSXNE-GFCCVEGCSA-N	-1	3	363.357	2.226	20	30		FEEDHM
C=CCCn1cc(C[N-]S(=O)(=O)c2cc(C)c(F)cc2Cl)nn1	ZINC000632635805	677006918	/nfs/dbraw/zinc/00/69/18/677006918.db2.gz	MXWHUDLCMUOFPW-UHFFFAOYSA-N	-1	3	358.826	2.434	20	30		FEEDHM
CCCCC[C@H]([N-]S(=O)(=O)Cc1ccc(F)cc1C#N)C(=O)OC	ZINC000830808711	677062166	/nfs/dbraw/zinc/06/21/66/677062166.db2.gz	MTOUWXFDNKMJEE-HNNXBMFYSA-N	-1	3	356.419	2.239	20	30		FEEDHM
COc1ccc(C=NNC2=N[C@H]3CCCC[C@@H]3N2)c(Br)c1[O-]	ZINC000761013208	680707546	/nfs/dbraw/zinc/70/75/46/680707546.db2.gz	QFZUROUQUHNRMB-QWRGUYRKSA-N	-1	3	367.247	2.357	20	30		FEEDHM
C=CCOCCC[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F	ZINC000657148322	677962533	/nfs/dbraw/zinc/96/25/33/677962533.db2.gz	WWMNHXUJMPDSPS-UHFFFAOYSA-N	-1	3	364.826	2.309	20	30		FEEDHM
CCC1(CNC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)CCCCC1	ZINC000762535309	680752934	/nfs/dbraw/zinc/75/29/34/680752934.db2.gz	CPSNNZRGYMGYFO-UHFFFAOYSA-N	-1	3	363.483	2.202	20	30		FEEDHM
CC#CCCOC(=O)c1c(Cl)ccc(S(=O)(=O)[N-]C)c1Cl	ZINC000765492678	680843864	/nfs/dbraw/zinc/84/38/64/680843864.db2.gz	PUAJFSJWIMEZJY-UHFFFAOYSA-N	-1	3	350.223	2.472	20	30		FEEDHM
N#Cc1cc(F)ccc1[N-]C(=O)c1ccc(S(=O)(=O)N2CCCC2)o1	ZINC000751293687	680166226	/nfs/dbraw/zinc/16/62/26/680166226.db2.gz	DSCCJJFWGMXMLU-UHFFFAOYSA-N	-1	3	363.370	2.327	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)NC2C(C)(C)C2(C)C)ccc1F	ZINC000752038869	680219627	/nfs/dbraw/zinc/21/96/27/680219627.db2.gz	ZSICPIIUSBIQTC-UHFFFAOYSA-N	-1	3	354.447	2.454	20	30		FEEDHM
C#CCn1ccc(CN(CCOC)C(=O)c2cc(SC)ccc2[O-])n1	ZINC000834705614	680259278	/nfs/dbraw/zinc/25/92/78/680259278.db2.gz	PARXXACPQUOTSY-UHFFFAOYSA-N	-1	3	359.451	2.233	20	30		FEEDHM
CC1CCC(COC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)CC1	ZINC000754751091	680375560	/nfs/dbraw/zinc/37/55/60/680375560.db2.gz	RGNNYKSMMOTZIS-UHFFFAOYSA-N	-1	3	350.440	2.095	20	30		FEEDHM
CCN(CC)S(=O)(=O)c1ccc(N=NCc2cccc(F)c2[O-])nc1	ZINC000755562264	680421415	/nfs/dbraw/zinc/42/14/15/680421415.db2.gz	FCQCLETUMVMEEU-UHFFFAOYSA-N	-1	3	366.418	2.403	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2C[C@]2(C)C(C)C)ccc1F	ZINC000838034447	680669762	/nfs/dbraw/zinc/66/97/62/680669762.db2.gz	DRPGNUBVYGHWBQ-NVXWUHKLSA-N	-1	3	354.447	2.454	20	30		FEEDHM
N#Cc1csc(COC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])n1	ZINC000842064896	680924865	/nfs/dbraw/zinc/92/48/65/680924865.db2.gz	CAGQFPRGWJOYHM-CYBMUJFWSA-N	-1	3	357.391	2.068	20	30		FEEDHM
CC[C@H](OC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21)C(C)C	ZINC000845851838	681156655	/nfs/dbraw/zinc/15/66/55/681156655.db2.gz	CTNMVIPCSWVPID-JSGCOSHPSA-N	-1	3	352.456	2.482	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCC23CCCC3)ccc1F	ZINC000846304926	681222865	/nfs/dbraw/zinc/22/28/65/681222865.db2.gz	JHPRFMXJPOTKDK-UHFFFAOYSA-N	-1	3	352.431	2.449	20	30		FEEDHM
Cc1n[n-]c(C)c1S(=O)(=O)Oc1ccc(Br)cc1C#N	ZINC000775480631	681311047	/nfs/dbraw/zinc/31/10/47/681311047.db2.gz	UBGBKBQSNKEFOB-UHFFFAOYSA-N	-1	3	356.201	2.428	20	30		FEEDHM
O=C(CCCc1cccc(Br)c1)N[C@H]1CCCN([O-])C1=O	ZINC000848136512	681478668	/nfs/dbraw/zinc/47/86/68/681478668.db2.gz	NZBBOIROFDELHE-ZDUSSCGKSA-N	-1	3	355.232	2.268	20	30		FEEDHM
Cc1ccc(F)cc1C=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1	ZINC000777886509	681540432	/nfs/dbraw/zinc/54/04/32/681540432.db2.gz	MZCJJIALNWFTHZ-UHFFFAOYSA-N	-1	3	351.359	2.496	20	30		FEEDHM
CCC[C@@H](C#N)[N-]C(=O)C(F)(F)c1ccccc1OCC(=O)N(C)C	ZINC000778681235	681639281	/nfs/dbraw/zinc/63/92/81/681639281.db2.gz	PQDLHUDVKKDEOB-LBPRGKRZSA-N	-1	3	353.369	2.054	20	30		FEEDHM
C[C@@H]1CCCC[C@H]1COC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000849634835	681770005	/nfs/dbraw/zinc/77/00/05/681770005.db2.gz	XIGHAJUSLBJHIU-OLZOCXBDSA-N	-1	3	350.440	2.095	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)OCCC(F)(F)F)ccc1F	ZINC000914658811	685508953	/nfs/dbraw/zinc/50/89/53/685508953.db2.gz	HAPXKZYILZVBDL-UHFFFAOYSA-N	-1	3	355.309	2.399	20	30		FEEDHM
Fc1ccc(-n2cc(C=N[N-]c3[nH+]cnc4[n-]cnc43)nn2)cc1Cl	ZINC000782902058	682092576	/nfs/dbraw/zinc/09/25/76/682092576.db2.gz	UWEMQCUZKKNEJS-UHFFFAOYSA-N	-1	3	357.740	2.172	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H]2CCCCS2)ccc1F	ZINC000784111415	682200627	/nfs/dbraw/zinc/20/06/27/682200627.db2.gz	HCQYOSIJORGMKK-ZDUSSCGKSA-N	-1	3	372.487	2.306	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)OC[C@@H]2CC[C@@H](C)O2)ccc1F	ZINC000789017130	682573872	/nfs/dbraw/zinc/57/38/72/682573872.db2.gz	AYJKTLLASAQTPL-YPMHNXCESA-N	-1	3	357.403	2.014	20	30		FEEDHM
C#C[C@@](C)(CC)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1	ZINC000854703439	682580998	/nfs/dbraw/zinc/58/09/98/682580998.db2.gz	UOVUBEQDBKGIHT-KRWDZBQOSA-N	-1	3	354.447	2.434	20	30		FEEDHM
C=CCCO[N-]C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1	ZINC000856030756	682736141	/nfs/dbraw/zinc/73/61/41/682736141.db2.gz	PXGSTAJEIITFHJ-HNNXBMFYSA-N	-1	3	352.456	2.020	20	30		FEEDHM
CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NCC(C)(C)C	ZINC000919832413	683301718	/nfs/dbraw/zinc/30/17/18/683301718.db2.gz	RZSUSXRCRQVBOH-AWEZNQCLSA-N	-1	3	365.499	2.446	20	30		FEEDHM
Cn1nncc1C([O-])=C(C#N)C(=O)Nc1ccc(SC(F)F)cc1	ZINC000798817337	683394551	/nfs/dbraw/zinc/39/45/51/683394551.db2.gz	WVULFGZRVNPHPW-JTQLQIEISA-N	-1	3	351.338	2.091	20	30		FEEDHM
C=CC[C@H](CC)NC(=O)C[C@@H](C)[N-]S(=O)(=O)c1cccnc1Cl	ZINC000799035156	683416395	/nfs/dbraw/zinc/41/63/95/683416395.db2.gz	UMKULXLJDQLSOV-NEPJUHHUSA-N	-1	3	359.879	2.263	20	30		FEEDHM
CC(=N[N-]S(=O)(=O)CCc1ccccc1)c1ccc(N)c([N+](=O)[O-])c1	ZINC000799111766	683423838	/nfs/dbraw/zinc/42/38/38/683423838.db2.gz	VLTCAYHDPIXBNG-UHFFFAOYSA-N	-1	3	362.411	2.063	20	30		FEEDHM
C=CCCC[C@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)C(=O)OC	ZINC000921383606	683448664	/nfs/dbraw/zinc/44/86/64/683448664.db2.gz	ZMSMCYQWJYCJRA-JTQLQIEISA-N	-1	3	366.361	2.277	20	30		FEEDHM
C=CCCC[C@@H]([N-]S(=O)(=O)Cc1ccc(CC#N)cc1)C(=O)OC	ZINC000921383589	683448769	/nfs/dbraw/zinc/44/87/69/683448769.db2.gz	ZATCJEOUQITUHS-MRXNPFEDSA-N	-1	3	350.440	2.070	20	30		FEEDHM
Cc1cc(C)c(C(=O)N[C@@H]2CCCN([O-])C2=O)c(C)c1Br	ZINC000861827030	683480844	/nfs/dbraw/zinc/48/08/44/683480844.db2.gz	CPQFYTXAYSUUJJ-LLVKDONJSA-N	-1	3	355.232	2.484	20	30		FEEDHM
C#C[C@@H]([N-]S(=O)(=O)c1cc2nc(Cl)ncc2s1)C1CCOCC1	ZINC000867529449	684305998	/nfs/dbraw/zinc/30/59/98/684305998.db2.gz	IGXBLMYQXLAMID-SNVBAGLBSA-N	-1	3	371.871	2.051	20	30		FEEDHM
C=CCONC(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21	ZINC000875649231	686056841	/nfs/dbraw/zinc/05/68/41/686056841.db2.gz	FZJGMHDLLKKCJM-LLVKDONJSA-N	-1	3	357.332	2.486	20	30		FEEDHM
Cc1cc(Br)c(F)cc1NC(=O)N[C@@H]1CCCN([O-])C1=O	ZINC000879233520	686776831	/nfs/dbraw/zinc/77/68/31/686776831.db2.gz	BLDOTLRLYVMOMK-SNVBAGLBSA-N	-1	3	360.183	2.398	20	30		FEEDHM
Cc1cc(F)c(Br)cc1NC(=O)N[C@@H]1CCCN([O-])C1=O	ZINC000879349181	686802172	/nfs/dbraw/zinc/80/21/72/686802172.db2.gz	MGCJIHQORRCKBT-SNVBAGLBSA-N	-1	3	360.183	2.398	20	30		FEEDHM
C#CCN(C(=O)c1cc(Br)cc(F)c1[O-])C1CCN(C)CC1	ZINC000886572602	688278058	/nfs/dbraw/zinc/27/80/58/688278058.db2.gz	SQBNQFVXRHOWLW-UHFFFAOYSA-N	-1	3	369.234	2.463	20	30		FEEDHM
O=C(Nc1ncc(-c2ccccc2F)s1)N[C@H]1CCCN([O-])C1=O	ZINC000888764134	688666257	/nfs/dbraw/zinc/66/62/57/688666257.db2.gz	BVEFCACRZJHIJW-NSHDSACASA-N	-1	3	350.375	2.451	20	30		FEEDHM
Nc1nc([N-]c2ccn(CC(F)F)n2)nc(C(F)(F)C(F)(F)F)n1	ZINC000892815907	689247456	/nfs/dbraw/zinc/24/74/56/689247456.db2.gz	MSHXERARKFEVIW-UHFFFAOYSA-N	-1	3	359.209	2.313	20	30		FEEDHM
O=C1[C@@H](NCc2cn(-c3cccc(Cl)c3Cl)nn2)CCCN1[O-]	ZINC000895163074	689669978	/nfs/dbraw/zinc/66/99/78/689669978.db2.gz	QMCUKRCWZULSQW-NSHDSACASA-N	-1	3	356.213	2.044	20	30		FEEDHM
COC(=O)C1CC2(C1)CN(Cc1cc(Cl)cc(C#N)c1)C[C@H]2C(=O)[O-]	ZINC000903414643	690891246	/nfs/dbraw/zinc/89/12/46/690891246.db2.gz	GTPSCBWBVZPMBS-DBQDNQAGSA-N	-1	3	362.813	2.297	20	30		FEEDHM
O=C(CC1CCSCC1)N([O-])CCCN1C(=O)c2ccccc2C1=O	ZINC000904184219	691010726	/nfs/dbraw/zinc/01/07/26/691010726.db2.gz	METZAUFOTXLHNY-UHFFFAOYSA-N	-1	3	362.451	2.424	20	30		FEEDHM
CC[C@@H](CC#N)[N-]S(=O)(=O)c1ccc(I)s1	ZINC000907118952	691399962	/nfs/dbraw/zinc/39/99/62/691399962.db2.gz	DISMHGREZYHFLG-ZETCQYMHSA-N	-1	3	370.237	2.323	20	30		FEEDHM
C=CCCC[C@@H](NC(=O)NCC1(N2CCSCC2)CCCC1)C(=O)[O-]	ZINC000908851460	691740737	/nfs/dbraw/zinc/74/07/37/691740737.db2.gz	MAKLTOQFYMIPQS-OAHLLOKOSA-N	-1	3	369.531	2.457	20	30		FEEDHM
Cc1ccccc1NC(=O)COC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C	ZINC000007673791	539462996	/nfs/dbraw/zinc/46/29/96/539462996.db2.gz	JOCJVDRDODPFRV-UHFFFAOYSA-N	-1	3	367.405	2.286	20	30		FEEDHM
C[N-]S(=O)(=O)c1ccc(CNc2ccc(C#N)cc2[N+](=O)[O-])s1	ZINC000014304119	539601617	/nfs/dbraw/zinc/60/16/17/539601617.db2.gz	CQZXKWGVNNRYRD-UHFFFAOYSA-N	-1	3	352.397	2.048	20	30		FEEDHM
COC(=O)c1cccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1	ZINC000015759569	539622386	/nfs/dbraw/zinc/62/23/86/539622386.db2.gz	LCTLBKNVUZCZSA-UHFFFAOYSA-N	-1	3	353.378	2.221	20	30		FEEDHM
Cc1ncc(CO)c(/C=N/C2CCN(C(=O)c3ccccc3)CC2)c1[O-]	ZINC000016703063	539635992	/nfs/dbraw/zinc/63/59/92/539635992.db2.gz	LFYWGUNTUYNAAX-WSDLNYQXSA-N	-1	3	353.422	2.312	20	30		FEEDHM
Cn1ccnc1[C@H]([N-]S(=O)(=O)c1ccccc1C#N)c1ccccc1	ZINC000017521610	539642396	/nfs/dbraw/zinc/64/23/96/539642396.db2.gz	UVXJXQGDCOVRBU-QGZVFWFLSA-N	-1	3	352.419	2.360	20	30		FEEDHM
C=CCN(Cc1cccs1)C(=O)C[N-]S(=O)(=O)c1cccs1	ZINC000032946236	539961208	/nfs/dbraw/zinc/96/12/08/539961208.db2.gz	QKZCLDGHOWBCLQ-UHFFFAOYSA-N	-1	3	356.494	2.303	20	30		FEEDHM
Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]Cc1ccc(C#N)c(Cl)c1	ZINC000800965836	674094732	/nfs/dbraw/zinc/09/47/32/674094732.db2.gz	RBUBJGCKCJCJOQ-UHFFFAOYSA-N	-1	3	359.238	2.386	20	30		FEEDHM
C=C(Br)CN1CCC([N-]S(=O)(=O)c2cccs2)CC1	ZINC000052440084	540466152	/nfs/dbraw/zinc/46/61/52/540466152.db2.gz	OFKJLZHALLMYPA-UHFFFAOYSA-N	-1	3	365.318	2.399	20	30		FEEDHM
NC(=O)N[C@@H](CC(=O)Nc1nnc(-c2ccccn2)[n-]1)c1ccccc1	ZINC000053525863	540540737	/nfs/dbraw/zinc/54/07/37/540540737.db2.gz	LZHBANFHCRQYGQ-ZDUSSCGKSA-N	-1	3	351.370	2.254	20	30		FEEDHM
NC(=O)N[C@@H](CC(=O)Nc1nc(-c2ccccn2)n[n-]1)c1ccccc1	ZINC000053525863	540540741	/nfs/dbraw/zinc/54/07/41/540540741.db2.gz	LZHBANFHCRQYGQ-ZDUSSCGKSA-N	-1	3	351.370	2.254	20	30		FEEDHM
NC(=O)N[C@@H](CC(=O)Nc1n[n-]c(-c2ccccn2)n1)c1ccccc1	ZINC000053525863	540540745	/nfs/dbraw/zinc/54/07/45/540540745.db2.gz	LZHBANFHCRQYGQ-ZDUSSCGKSA-N	-1	3	351.370	2.254	20	30		FEEDHM
N#Cc1cccnc1N1CCCN(C(=O)c2cc(=O)c3ccccc3[n-]2)CC1	ZINC000056352705	540720186	/nfs/dbraw/zinc/72/01/86/540720186.db2.gz	UFLXRBLRIXLPCQ-UHFFFAOYSA-N	-1	3	373.416	2.147	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCc2cc([N+](=O)[O-])ccc21	ZINC000057836944	540818677	/nfs/dbraw/zinc/81/86/77/540818677.db2.gz	GPJCHBCWLVBSBK-UHFFFAOYSA-N	-1	3	366.377	2.294	20	30		FEEDHM
C[C@@H](CC#N)Sc1ccccc1[N-]C(=O)c1cn(CC(=O)N(C)C)nn1	ZINC000066802152	541374240	/nfs/dbraw/zinc/37/42/40/541374240.db2.gz	BJQRRGGMBOJXNF-LBPRGKRZSA-N	-1	3	372.454	2.013	20	30		FEEDHM
N#Cc1cccc(Oc2ccc(NC(=O)CC[C@H]3NC(=O)[N-]C3=O)cc2)c1	ZINC000066840964	541378842	/nfs/dbraw/zinc/37/88/42/541378842.db2.gz	USNSKAYNTJPSRF-MRXNPFEDSA-N	-1	3	364.361	2.277	20	30		FEEDHM
C=CCn1c(=O)c2ccc(C(=O)N3CCC[C@H](N(C)C)C3)cc2[n-]c1=S	ZINC000068486342	541598523	/nfs/dbraw/zinc/59/85/23/541598523.db2.gz	CWJNNKNGBUFOAF-AWEZNQCLSA-N	-1	3	372.494	2.037	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1ccc(N(C)C)cc1	ZINC000018215322	220229992	/nfs/dbraw/zinc/22/99/92/220229992.db2.gz	VQEZNUSXKBKDOB-UHFFFAOYSA-N	-1	3	352.438	2.178	20	30		FEEDHM
CSc1[n-]c(=O)c(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1C#N	ZINC000079134682	542503223	/nfs/dbraw/zinc/50/32/23/542503223.db2.gz	ZVHVHADYIAZGEH-HNNXBMFYSA-N	-1	3	368.462	2.385	20	30		FEEDHM
C=CCN1CCC(NC(=O)c2nn(-c3ccc(F)cc3C)cc2[O-])CC1	ZINC000081751157	542675421	/nfs/dbraw/zinc/67/54/21/542675421.db2.gz	MOXIZPUUKCQGFX-UHFFFAOYSA-N	-1	3	358.417	2.406	20	30		FEEDHM
CN(CC#N)C(=O)c1sccc1S(=O)(=O)[N-]C1CCCCCC1	ZINC000101514956	543027945	/nfs/dbraw/zinc/02/79/45/543027945.db2.gz	OECLBBNRMGQYKL-UHFFFAOYSA-N	-1	3	355.485	2.345	20	30		FEEDHM
C=CCn1c(=O)c2ccc(C(=O)N3CCCN(CC)CC3)cc2[n-]c1=S	ZINC000110815130	543369363	/nfs/dbraw/zinc/36/93/63/543369363.db2.gz	VYHCADHBSRESMI-UHFFFAOYSA-N	-1	3	372.494	2.039	20	30		FEEDHM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C#N)C1CCCCC1	ZINC000128966554	544083230	/nfs/dbraw/zinc/08/32/30/544083230.db2.gz	XEOTYUOHGSYHMD-CYBMUJFWSA-N	-1	3	353.400	2.354	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C#N)c1)c1cn(-c2ccccc2)nn1	ZINC000129672333	544122841	/nfs/dbraw/zinc/12/28/41/544122841.db2.gz	KTPYPMDRZAGTMY-GFCCVEGCSA-N	-1	3	371.397	2.318	20	30		FEEDHM
N#CCc1ccc(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)cc1	ZINC000133979775	544290360	/nfs/dbraw/zinc/29/03/60/544290360.db2.gz	RDHZVOMECIQNFS-UHFFFAOYSA-N	-1	3	369.855	2.385	20	30		FEEDHM
CC(C)CC(=O)N1CCC([N-]S(=O)(=O)c2ccc(C#N)cc2F)CC1	ZINC000151107940	544505748	/nfs/dbraw/zinc/50/57/48/544505748.db2.gz	KJESFGIZAXVUCY-UHFFFAOYSA-N	-1	3	367.446	2.013	20	30		FEEDHM
COc1cnccc1[C@@H](C)NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C	ZINC000189532720	328153666	/nfs/dbraw/zinc/15/36/66/328153666.db2.gz	NQIWAIUQIJHDGK-CYBMUJFWSA-N	-1	3	354.410	2.077	20	30		FEEDHM
COc1ccc([O-])c(C(=O)N2CCN(c3cccc(F)c3C#N)CC2)c1	ZINC000121369509	326333251	/nfs/dbraw/zinc/33/32/51/326333251.db2.gz	IJDKFZFRYRYFIJ-UHFFFAOYSA-N	-1	3	355.369	2.374	20	30		FEEDHM
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cccc([N+](=O)[O-])c1[O-]	ZINC000136486605	326653024	/nfs/dbraw/zinc/65/30/24/326653024.db2.gz	OACVRNNJOWQQPA-UHFFFAOYSA-N	-1	3	368.393	2.376	20	30		FEEDHM
C[C@H](Cc1cccs1)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000156421545	326830869	/nfs/dbraw/zinc/83/08/69/326830869.db2.gz	WNNDWXIRNANIIF-SNVBAGLBSA-N	-1	3	351.409	2.437	20	30		FEEDHM
C[C@]1(c2ccc(CNc3ccc([N+](=O)[O-])c(C#N)c3)cc2)NC(=O)[N-]C1=O	ZINC000166292732	327081341	/nfs/dbraw/zinc/08/13/41/327081341.db2.gz	PWYGPRAJCQSTFK-GOSISDBHSA-N	-1	3	365.349	2.133	20	30		FEEDHM
CC(C)(C)n1cc(C#N)cc1NC(=O)NCCNC(=O)c1ccc([O-])cc1	ZINC000171147892	327120729	/nfs/dbraw/zinc/12/07/29/327120729.db2.gz	MKIPHRISURVUKQ-UHFFFAOYSA-N	-1	3	369.425	2.372	20	30		FEEDHM
COC(=O)c1c(F)cccc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C	ZINC000171746096	327158637	/nfs/dbraw/zinc/15/86/37/327158637.db2.gz	QNRBKGILWCHYGG-UHFFFAOYSA-N	-1	3	371.368	2.360	20	30		FEEDHM
Cc1ccc(C(=O)NCCC(=O)N(C)Cc2cccc(C#N)c2)c([O-])c1	ZINC000263667941	328950589	/nfs/dbraw/zinc/95/05/89/328950589.db2.gz	LJHZSWWDPVJKHP-UHFFFAOYSA-N	-1	3	351.406	2.351	20	30		FEEDHM
CO[C@H](C)c1nc(C[N-]S(=O)(=O)c2ccc(F)c(C#N)c2)cs1	ZINC000267648872	329346552	/nfs/dbraw/zinc/34/65/52/329346552.db2.gz	UCSADWKGMFGSAX-SECBINFHSA-N	-1	3	355.416	2.340	20	30		FEEDHM
CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)[C@@]12CCCO2	ZINC000274729695	329975036	/nfs/dbraw/zinc/97/50/36/329975036.db2.gz	GPYBQGLETPLINZ-XHSDSOJGSA-N	-1	3	370.858	2.217	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)OCCOC2CCC2)ccc1F	ZINC000805391708	674334680	/nfs/dbraw/zinc/33/46/80/674334680.db2.gz	MVLNKONPDAPKLI-UHFFFAOYSA-N	-1	3	357.403	2.016	20	30		FEEDHM
CN(C)[C@H](C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1ccccc1	ZINC000156096318	545598589	/nfs/dbraw/zinc/59/85/89/545598589.db2.gz	WDYSETVOJGKFDW-MRXNPFEDSA-N	-1	3	374.422	2.048	20	30		FEEDHM
CN(C)Cc1ccccc1C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000156230038	545610149	/nfs/dbraw/zinc/61/01/49/545610149.db2.gz	CFWLMHAHXHWOBH-UHFFFAOYSA-N	-1	3	374.422	2.007	20	30		FEEDHM
N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CCc1cn2ccccc2n1	ZINC000156314826	545617050	/nfs/dbraw/zinc/61/70/50/545617050.db2.gz	ATPBXZHEAXMHHZ-UHFFFAOYSA-N	-1	3	360.826	2.380	20	30		FEEDHM
C[C@@H]1CCCC[C@@H]1OCC[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000156514425	545632726	/nfs/dbraw/zinc/63/27/26/545632726.db2.gz	GXZKJPNDQGIYQI-DOMZBBRYSA-N	-1	3	367.427	2.340	20	30		FEEDHM
N#Cc1cc(F)ccc1S(=O)(=O)[N-]Cc1ccccc1-n1ccnc1	ZINC000156733856	545653711	/nfs/dbraw/zinc/65/37/11/545653711.db2.gz	GNDNMKZKVLUKIS-UHFFFAOYSA-N	-1	3	356.382	2.362	20	30		FEEDHM
N#Cc1cnn(-c2ccccc2[N-]S(=O)(=O)CCc2cccs2)c1N	ZINC000477502941	561146470	/nfs/dbraw/zinc/14/64/70/561146470.db2.gz	IODDPHNCXVGYLO-UHFFFAOYSA-N	-1	3	373.463	2.372	20	30		FEEDHM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]Cc1cc(F)ccc1F	ZINC000157263095	545719596	/nfs/dbraw/zinc/71/95/96/545719596.db2.gz	XYRLADRIPFDQBR-UHFFFAOYSA-N	-1	3	353.306	2.223	20	30		FEEDHM
C[C@@H](NC(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1)c1ccc(C#N)cc1	ZINC000478450096	561167171	/nfs/dbraw/zinc/16/71/71/561167171.db2.gz	OSIQSZCRFURANX-ODXCJYRJSA-N	-1	3	362.389	2.104	20	30		FEEDHM
N#Cc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])c(F)c1	ZINC000171487914	546211975	/nfs/dbraw/zinc/21/19/75/546211975.db2.gz	BNHSCXUDGGCLOK-KRWDZBQOSA-N	-1	3	367.380	2.324	20	30		FEEDHM
C=CCN1CCC([N-]S(=O)(=O)c2sccc2Br)CC1	ZINC000171536854	546214173	/nfs/dbraw/zinc/21/41/73/546214173.db2.gz	HZKIBLSCKWCOQB-UHFFFAOYSA-N	-1	3	365.318	2.439	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@H](C#N)C1CCCCC1	ZINC000176641548	546472188	/nfs/dbraw/zinc/47/21/88/546472188.db2.gz	IYFSLTXCXBFDSN-WCQYABFASA-N	-1	3	355.485	2.004	20	30		FEEDHM
N#Cc1ccc(OCC[N-]S(=O)(=O)c2ccc(C(F)(F)F)cn2)cc1	ZINC000480994025	561222379	/nfs/dbraw/zinc/22/23/79/561222379.db2.gz	WFIQMJQIWODEII-UHFFFAOYSA-N	-1	3	371.340	2.329	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]C[C@@H](CO)c2ccccc2)c(Cl)c1	ZINC000180097514	547051192	/nfs/dbraw/zinc/05/11/92/547051192.db2.gz	IECHYIJRQCMISS-AWEZNQCLSA-N	-1	3	350.827	2.266	20	30		FEEDHM
COc1cc(Cl)cc(CN2CCN(c3nccnc3C#N)C[C@@H]2C)c1[O-]	ZINC000184702566	547866971	/nfs/dbraw/zinc/86/69/71/547866971.db2.gz	SWXAIJIGEMKQAP-LBPRGKRZSA-N	-1	3	373.844	2.427	20	30		FEEDHM
COc1ccccc1[C@@H](C[N-]S(=O)(=O)CC1(C#N)CC1)OC(C)C	ZINC000185186897	547947959	/nfs/dbraw/zinc/94/79/59/547947959.db2.gz	YEXREEYHMRZOJJ-MRXNPFEDSA-N	-1	3	352.456	2.384	20	30		FEEDHM
C=C[C@@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1OCCOC	ZINC000486006355	561335010	/nfs/dbraw/zinc/33/50/10/561335010.db2.gz	XLHUOJFLCYIUMM-SNVBAGLBSA-N	-1	3	364.261	2.327	20	30		FEEDHM
C[C@H](CC#N)NC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl	ZINC000194665840	548513317	/nfs/dbraw/zinc/51/33/17/548513317.db2.gz	QRUAKPIKWMKBIW-SECBINFHSA-N	-1	3	364.254	2.080	20	30		FEEDHM
Cc1ncc(CO)c(/C=N/[C@H]2CCN(c3ccc(Cl)cc3)C2=O)c1[O-]	ZINC000265726696	550013621	/nfs/dbraw/zinc/01/36/21/550013621.db2.gz	VRVKKAMIZDNIEE-BCUFPXHISA-N	-1	3	359.813	2.466	20	30		FEEDHM
C=CCOCCCC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1	ZINC000266260210	550018984	/nfs/dbraw/zinc/01/89/84/550018984.db2.gz	KRLTWRSQNIXLKM-UHFFFAOYSA-N	-1	3	356.444	2.378	20	30		FEEDHM
CS(=O)(=O)[N-]c1cc(C(=O)N[C@@H](C#N)C2CCCCC2)ccc1F	ZINC000267223481	550028825	/nfs/dbraw/zinc/02/88/25/550028825.db2.gz	HWHXIGVDQRFYII-HNNXBMFYSA-N	-1	3	353.419	2.399	20	30		FEEDHM
Cc1ncc(CO)c(/C=N/Cc2nnc3ccc(C(F)(F)F)cn32)c1[O-]	ZINC000272788684	550471171	/nfs/dbraw/zinc/47/11/71/550471171.db2.gz	BCDRGVGLRWPXEG-DENHBWNVSA-N	-1	3	365.315	2.269	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC(=O)Nc2c(F)cccc21	ZINC000272856574	550473510	/nfs/dbraw/zinc/47/35/10/550473510.db2.gz	LYGHGNKHUXFDRO-UHFFFAOYSA-N	-1	3	368.368	2.333	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCC(C)(C#N)CC2)ccc1F	ZINC000272994358	550480068	/nfs/dbraw/zinc/48/00/68/550480068.db2.gz	NLNIIZQDPVKRRY-UHFFFAOYSA-N	-1	3	365.430	2.056	20	30		FEEDHM
CCCC[C@@H](ON=C(C)C)C(=O)Nc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1	ZINC000273676305	550507595	/nfs/dbraw/zinc/50/75/95/550507595.db2.gz	YKPXXLWIDSHPTC-JKSUJKDBSA-N	-1	3	374.441	2.347	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)c1cccnc1C#N)c1ccc(NC(=O)C2CC2)cc1	ZINC000277108685	550632957	/nfs/dbraw/zinc/63/29/57/550632957.db2.gz	XQEUXKMQOJWKRB-LBPRGKRZSA-N	-1	3	370.434	2.341	20	30		FEEDHM
C=CCN1CC[C@H](N(C)Cc2cc(=O)oc3cc([O-])c(CC)cc23)C1=O	ZINC000281321482	551084315	/nfs/dbraw/zinc/08/43/15/551084315.db2.gz	LFFMFUSNXPXUKY-INIZCTEOSA-N	-1	3	356.422	2.280	20	30		FEEDHM
CS(=O)(=O)[N-]c1cc(C(=O)NCC2CCC(C#N)CC2)ccc1F	ZINC000281982724	551165515	/nfs/dbraw/zinc/16/55/15/551165515.db2.gz	XBMHSWWEKVQCSO-UHFFFAOYSA-N	-1	3	353.419	2.257	20	30		FEEDHM
COc1ccccc1[C@@H]([N-]S(=O)(=O)N(C)[C@H](C)CC#N)c1ccco1	ZINC000282337871	551213687	/nfs/dbraw/zinc/21/36/87/551213687.db2.gz	QTXYOMSLJCOSFA-CXAGYDPISA-N	-1	3	363.439	2.446	20	30		FEEDHM
COC(=O)c1c(CC(C)C)csc1[N-]C(=O)C(=O)N(C)CCC#N	ZINC000283226467	551332512	/nfs/dbraw/zinc/33/25/12/551332512.db2.gz	JOMBVIWDYHFNSS-UHFFFAOYSA-N	-1	3	351.428	2.044	20	30		FEEDHM
CS(=O)(=O)c1ccc(C(=O)[N-]c2cc(C#N)ccc2OC(F)F)o1	ZINC000498093002	561515925	/nfs/dbraw/zinc/51/59/25/561515925.db2.gz	YBQHMPRNFMCGTA-UHFFFAOYSA-N	-1	3	356.306	2.408	20	30		FEEDHM
N#Cc1c(Br)cccc1S(=O)(=O)[N-]CC1CCOCC1	ZINC000286915695	551939691	/nfs/dbraw/zinc/93/96/91/551939691.db2.gz	OWCBUCJKKUYNCX-UHFFFAOYSA-N	-1	3	359.245	2.026	20	30		FEEDHM
C[C@@H]1COCC[C@@H]1[N-]S(=O)(=O)c1cccc(Br)c1C#N	ZINC000287255891	551981871	/nfs/dbraw/zinc/98/18/71/551981871.db2.gz	HNKIMFOFSQWYOX-SKDRFNHKSA-N	-1	3	359.245	2.024	20	30		FEEDHM
C[C@H]1CCN(C[C@H](O)c2ccc(C#N)cc2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F	ZINC000287441835	552004613	/nfs/dbraw/zinc/00/46/13/552004613.db2.gz	QEGSRGDZLANDAB-APYUEPQZSA-N	-1	3	369.387	2.369	20	30		FEEDHM
C=CCn1c(=O)[n-]nc1SCc1cc(C(=O)OC)cc(C(=O)OC)c1	ZINC000499326335	561548883	/nfs/dbraw/zinc/54/88/83/561548883.db2.gz	ZIHIZJAQWRRKPR-UHFFFAOYSA-N	-1	3	363.395	2.035	20	30		FEEDHM
C#C[C@H]([N-]C(=O)C(F)(F)c1ccc(OCC(=O)N(C)C)cc1)C(C)(C)C	ZINC000288045837	552080432	/nfs/dbraw/zinc/08/04/32/552080432.db2.gz	CYTNDHXRCVYOSW-HNNXBMFYSA-N	-1	3	366.408	2.410	20	30		FEEDHM
Cc1ccc(C[N-]S(=O)(=O)c2ccc(C#N)o2)c(O[C@H]2CCOC2)c1	ZINC000288115664	552094040	/nfs/dbraw/zinc/09/40/40/552094040.db2.gz	LUHQTBRFPNDKFH-HNNXBMFYSA-N	-1	3	362.407	2.106	20	30		FEEDHM
N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CCCO[C@@H]2CCCCO2)c1	ZINC000289178571	552278186	/nfs/dbraw/zinc/27/81/86/552278186.db2.gz	NDCXTKLPIAIGNH-OAHLLOKOSA-N	-1	3	358.847	2.423	20	30		FEEDHM
C=C[C@@H](CO)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Br	ZINC000290263059	552450294	/nfs/dbraw/zinc/45/02/94/552450294.db2.gz	STCZQSXVMSWZOC-QMMMGPOBSA-N	-1	3	374.178	2.293	20	30		FEEDHM
C[C@H](CCCO)C[N-]S(=O)(=O)c1cccc(Br)c1C#N	ZINC000295267087	552978815	/nfs/dbraw/zinc/97/88/15/552978815.db2.gz	LRVLVKBJBOIEEQ-SNVBAGLBSA-N	-1	3	361.261	2.008	20	30		FEEDHM
C[C@H](CC(C)(C)O)[N-]S(=O)(=O)c1cccc(Br)c1C#N	ZINC000295284328	552981548	/nfs/dbraw/zinc/98/15/48/552981548.db2.gz	GBSZPXHBVDVQNH-SECBINFHSA-N	-1	3	361.261	2.149	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]Cc2nnc(C3CC3)[nH]2)c(C(F)(F)F)c1	ZINC000295305736	552984582	/nfs/dbraw/zinc/98/45/82/552984582.db2.gz	OLMXGALRFOFXKC-UHFFFAOYSA-N	-1	3	371.344	2.051	20	30		FEEDHM
COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CC[C@@H](CC#N)C1	ZINC000295489188	553015378	/nfs/dbraw/zinc/01/53/78/553015378.db2.gz	AWOPZKCBBQQGGT-JQWIXIFHSA-N	-1	3	356.831	2.487	20	30		FEEDHM
CC(C)(CC#N)CS(=O)(=O)[N-]Cc1nc(-c2cccc(F)c2)no1	ZINC000296386956	553151611	/nfs/dbraw/zinc/15/16/11/553151611.db2.gz	UBQRULNVJBETQX-UHFFFAOYSA-N	-1	3	352.391	2.235	20	30		FEEDHM
C=CCC[C@@H](CO)[N-]S(=O)(=O)c1ccc(Br)cc1F	ZINC000316001441	553760961	/nfs/dbraw/zinc/76/09/61/553760961.db2.gz	HHUASMQCGSPQNL-JTQLQIEISA-N	-1	3	352.225	2.194	20	30		FEEDHM
Cn1c(=O)cccc1C(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1	ZINC000328864749	553835340	/nfs/dbraw/zinc/83/53/40/553835340.db2.gz	NCPIBWJPPXUQIC-UHFFFAOYSA-N	-1	3	355.394	2.231	20	30		FEEDHM
Cc1c(Br)cc(/C([O-])=N\CCN2CC=C(C)CC2)c(=O)n1C	ZINC000329893055	554025807	/nfs/dbraw/zinc/02/58/07/554025807.db2.gz	JIQSYNYLHLICPG-UHFFFAOYSA-N	-1	3	368.275	2.413	20	30		FEEDHM
COc1cc(F)c(S(=O)(=O)[N-][C@@](C)(C#N)CCSC)cc1OC	ZINC000508099703	561751850	/nfs/dbraw/zinc/75/18/50/561751850.db2.gz	YZLYPQACZUGPLO-CQSZACIVSA-N	-1	3	362.448	2.157	20	30		FEEDHM
N#C[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1	ZINC000331113641	554215276	/nfs/dbraw/zinc/21/52/76/554215276.db2.gz	JPKHSMQLQANEFF-QPUJVOFHSA-N	-1	3	374.216	2.328	20	30		FEEDHM
C=C(C)CCc1noc(CC[N-]S(=O)(=O)c2ccc(F)c(F)c2)n1	ZINC000508593650	561767107	/nfs/dbraw/zinc/76/71/07/561767107.db2.gz	GQTLVKJDJGZZOO-UHFFFAOYSA-N	-1	3	357.382	2.378	20	30		FEEDHM
Cc1ccc(-c2nc(-c3ccc([O-])cc3)no2)cc1S(=O)(=O)NCC#N	ZINC000350580859	554799785	/nfs/dbraw/zinc/79/97/85/554799785.db2.gz	LCDINRKQSAXRDV-UHFFFAOYSA-N	-1	3	370.390	2.220	20	30		FEEDHM
N#C[C@H]1CN(C(=O)c2cc(=O)c3ccccc3[n-]2)CCN1Cc1ccccc1	ZINC000363344790	555082184	/nfs/dbraw/zinc/08/21/84/555082184.db2.gz	LJLNQSWZDXDQFJ-KRWDZBQOSA-N	-1	3	372.428	2.378	20	30		FEEDHM
Cn1cc(C#N)c(=NC(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)[n-]1	ZINC000614688584	555097098	/nfs/dbraw/zinc/09/70/98/555097098.db2.gz	MJNKYEDSBDMOON-LJQANCHMSA-N	-1	3	352.442	2.468	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)Cc1cn2c(n1)CCCC2	ZINC000365381905	555558692	/nfs/dbraw/zinc/55/86/92/555558692.db2.gz	VMDXVFRKFZDHJP-UHFFFAOYSA-N	-1	3	367.453	2.400	20	30		FEEDHM
COc1cc(C(=O)N2CCC[C@@]3(CCCCO3)[C@H]2C#N)cc(OC)c1[O-]	ZINC000366187855	555775569	/nfs/dbraw/zinc/77/55/69/555775569.db2.gz	ZIEMVSVGYGWUQP-APWZRJJASA-N	-1	3	360.410	2.477	20	30		FEEDHM
COc1ccc(-n2ccc(C[N-]S(=O)(=O)c3ccc(C#N)s3)n2)cc1	ZINC000366683544	555908562	/nfs/dbraw/zinc/90/85/62/555908562.db2.gz	YEWJCFFLRWMCMW-UHFFFAOYSA-N	-1	3	374.447	2.293	20	30		FEEDHM
CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)CC2(C#N)CCC2)[C@H]1Oc1ccccc1	ZINC000514693080	561974339	/nfs/dbraw/zinc/97/43/39/561974339.db2.gz	DHHNTIULRIZYAG-BRWVUGGUSA-N	-1	3	364.467	2.225	20	30		FEEDHM
N#Cc1c(Br)cccc1S(=O)(=O)[N-]CCCOCC1CC1	ZINC000514742183	561977152	/nfs/dbraw/zinc/97/71/52/561977152.db2.gz	LJWIUNVOGIKYRJ-UHFFFAOYSA-N	-1	3	373.272	2.416	20	30		FEEDHM
CCc1nnc(N2CC(S(=O)(=O)[N-]c3ccccc3)C2)c(C#N)c1CC	ZINC000368621841	556365926	/nfs/dbraw/zinc/36/59/26/556365926.db2.gz	KNFVAGZAEVFFHK-UHFFFAOYSA-N	-1	3	371.466	2.104	20	30		FEEDHM
CCOc1ccc(NC(=O)C[N-]S(=O)(=O)Cc2cccc(C#N)c2)cc1	ZINC000518146662	562105204	/nfs/dbraw/zinc/10/52/04/562105204.db2.gz	CBQFRDZRODRNGK-UHFFFAOYSA-N	-1	3	373.434	2.015	20	30		FEEDHM
C=C(C)C[C@H](C)C(=O)N1CCC[C@H](c2n[nH]cc2[N-]S(C)(=O)=O)C1	ZINC000373361695	557679271	/nfs/dbraw/zinc/67/92/71/557679271.db2.gz	LNITULHFWWJFMR-STQMWFEESA-N	-1	3	354.476	2.090	20	30		FEEDHM
C=C(C)C[C@H](C)C(=O)N1CCC[C@H](c2[nH]ncc2[N-]S(C)(=O)=O)C1	ZINC000373361695	557679273	/nfs/dbraw/zinc/67/92/73/557679273.db2.gz	LNITULHFWWJFMR-STQMWFEESA-N	-1	3	354.476	2.090	20	30		FEEDHM
CC(C)Cn1c(=O)[n-]c(=O)c2c(C(=O)NC[C@H](C)C#N)cc(C(C)C)nc21	ZINC000520310829	562153193	/nfs/dbraw/zinc/15/31/93/562153193.db2.gz	LYZLJLHICQSWQV-GFCCVEGCSA-N	-1	3	371.441	2.166	20	30		FEEDHM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-]	ZINC000373827278	557767988	/nfs/dbraw/zinc/76/79/88/557767988.db2.gz	TYGOHZHEEAWIFK-HFTRVMKXSA-N	-1	3	358.438	2.094	20	30		FEEDHM
C#CCCCS(=O)(=O)[N-][C@H]1CCN(c2ccccc2C(F)(F)F)C1=O	ZINC000376314052	558156819	/nfs/dbraw/zinc/15/68/19/558156819.db2.gz	MPBDSWNLPQIORU-ZDUSSCGKSA-N	-1	3	374.384	2.144	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H]1COC2(CCCC2)O1	ZINC000378390650	558546079	/nfs/dbraw/zinc/54/60/79/558546079.db2.gz	AXSRJFHWZPFABW-AWEZNQCLSA-N	-1	3	359.426	2.010	20	30		FEEDHM
CN(C)[C@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1F)c1ccsc1	ZINC000523563029	562215433	/nfs/dbraw/zinc/21/54/33/562215433.db2.gz	IHDXMWCCKFZZEH-CQSZACIVSA-N	-1	3	353.444	2.340	20	30		FEEDHM
CC[C@](C)(C#N)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1	ZINC000523670519	562217267	/nfs/dbraw/zinc/21/72/67/562217267.db2.gz	GFDROALWGNJRFO-MRXNPFEDSA-N	-1	3	364.402	2.377	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-]Cc1ccsc1Br	ZINC000388444399	558608757	/nfs/dbraw/zinc/60/87/57/558608757.db2.gz	JPVWNFABCCEADS-UHFFFAOYSA-N	-1	3	358.242	2.256	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)CC1(C#N)CCCCC1)C(=O)N1CCCC[C@@H]1C	ZINC000408229310	558658690	/nfs/dbraw/zinc/65/86/90/558658690.db2.gz	PRMIVNYNBOAEMW-GJZGRUSLSA-N	-1	3	355.504	2.169	20	30		FEEDHM
O=C([N-][C@H](c1cccc(F)c1F)C(F)(F)F)C(=O)N[C@H]1C[C@@H]1C(F)F	ZINC000411544977	558914179	/nfs/dbraw/zinc/91/41/79/558914179.db2.gz	WEXGIHGFVLRJMT-KADJCCMJSA-N	-1	3	372.240	2.454	20	30		FEEDHM
C[C@H](CCCCO)[N-]S(=O)(=O)c1cc(Br)ccc1C#N	ZINC000416493641	559317444	/nfs/dbraw/zinc/31/74/44/559317444.db2.gz	HWPUGEJKVKFRID-SNVBAGLBSA-N	-1	3	361.261	2.150	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1C#N)C1CCOCC1	ZINC000416429119	559312325	/nfs/dbraw/zinc/31/23/25/559312325.db2.gz	UKPBNCZZQSOVHT-SNVBAGLBSA-N	-1	3	373.272	2.414	20	30		FEEDHM
COC[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1C#N)C1CC1	ZINC000416446546	559313386	/nfs/dbraw/zinc/31/33/86/559313386.db2.gz	PQZOFOIWAAYPLU-LBPRGKRZSA-N	-1	3	359.245	2.024	20	30		FEEDHM
CCC[C@@](C)(O)C[N-]S(=O)(=O)c1cc(Br)ccc1C#N	ZINC000416461322	559314778	/nfs/dbraw/zinc/31/47/78/559314778.db2.gz	MVBNRCGMXPTZOE-CYBMUJFWSA-N	-1	3	361.261	2.150	20	30		FEEDHM
N#Cc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1C[C@H]2OCCC[C@@H]12	ZINC000416475855	559316103	/nfs/dbraw/zinc/31/61/03/559316103.db2.gz	WBOOCQDTUCYKHI-YNEHKIRRSA-N	-1	3	371.256	2.167	20	30		FEEDHM
N#Cc1ccc(Br)cc1S(=O)(=O)[N-]CCC[C@H]1CCOC1	ZINC000416496698	559317666	/nfs/dbraw/zinc/31/76/66/559317666.db2.gz	QTALIQOAHBUHPP-NSHDSACASA-N	-1	3	373.272	2.416	20	30		FEEDHM
CCS(=O)(=O)[N-]c1ccc(NC(=O)NCC2(C#N)CCC2)cc1OC	ZINC000416756479	559331351	/nfs/dbraw/zinc/33/13/51/559331351.db2.gz	BHHHNFQLCZYGPR-UHFFFAOYSA-N	-1	3	366.443	2.272	20	30		FEEDHM
COC(=O)[C@H](CNC(=O)C1(C#N)CCCCC1)Cc1ccc([O-])c(F)c1	ZINC000422046698	559562717	/nfs/dbraw/zinc/56/27/17/559562717.db2.gz	UAVAXPNETSJWFA-AWEZNQCLSA-N	-1	3	362.401	2.453	20	30		FEEDHM
COC(=O)[C@H](CNC(=O)c1ccc(CC#N)cc1)Cc1ccc([O-])c(F)c1	ZINC000422047723	559562842	/nfs/dbraw/zinc/56/28/42/559562842.db2.gz	VMEKBICDGAPALN-INIZCTEOSA-N	-1	3	370.380	2.359	20	30		FEEDHM
COC(=O)c1cnc([C@H](C)[N-]S(=O)(=O)c2ccc(C#N)c(C)c2)s1	ZINC000425207699	559691209	/nfs/dbraw/zinc/69/12/09/559691209.db2.gz	QSBWMARGBQVHCO-JTQLQIEISA-N	-1	3	365.436	2.149	20	30		FEEDHM
Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1	ZINC000427143846	559749131	/nfs/dbraw/zinc/74/91/31/559749131.db2.gz	PSISPDSFOOHTFK-UHFFFAOYSA-N	-1	3	366.333	2.492	20	30		FEEDHM
CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CC2(CC#N)CC2)cc1Cl	ZINC000429931814	559808980	/nfs/dbraw/zinc/80/89/80/559808980.db2.gz	ZXLDCGZNABPEQB-UHFFFAOYSA-N	-1	3	359.810	2.410	20	30		FEEDHM
N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CCOCC(F)(F)C(F)F	ZINC000434763952	559908767	/nfs/dbraw/zinc/90/87/67/559908767.db2.gz	HIBNXBRQHUHAGY-UHFFFAOYSA-N	-1	3	374.743	2.407	20	30		FEEDHM
C=C(C)[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-]	ZINC000435587766	559925599	/nfs/dbraw/zinc/92/55/99/559925599.db2.gz	JALSFOAIIMLLRV-ZFWWWQNUSA-N	-1	3	354.428	2.471	20	30		FEEDHM
N#Cc1ccsc1C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1	ZINC000436945298	559957057	/nfs/dbraw/zinc/95/70/57/559957057.db2.gz	PELGMNDPMFHZIO-UHFFFAOYSA-N	-1	3	355.419	2.360	20	30		FEEDHM
Cc1ccc(C(=O)NCCC(=O)N[C@H](C#N)c2ccc(F)cc2)c([O-])c1	ZINC000436947498	559957333	/nfs/dbraw/zinc/95/73/33/559957333.db2.gz	MMQALZOZQQTHQD-MRXNPFEDSA-N	-1	3	355.369	2.341	20	30		FEEDHM
Cc1cc(C)c(C#N)c(NCC[N-]S(=O)(=O)c2ccc(F)cc2F)n1	ZINC000440647168	560015307	/nfs/dbraw/zinc/01/53/07/560015307.db2.gz	HFHHWRGLXDMLFD-UHFFFAOYSA-N	-1	3	366.393	2.239	20	30		FEEDHM
COCCOc1ccccc1C[N-]S(=O)(=O)c1ccc(F)cc1C#N	ZINC000443024872	560066328	/nfs/dbraw/zinc/06/63/28/560066328.db2.gz	NLXWXOSQQRBCIP-UHFFFAOYSA-N	-1	3	364.398	2.201	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)C(=O)N1CCCC[C@@H]1C	ZINC000443079838	560069871	/nfs/dbraw/zinc/06/98/71/560069871.db2.gz	RRXJEZHAYBDLCR-RYUDHWBXSA-N	-1	3	369.874	2.279	20	30		FEEDHM
COc1cc(OC)c(C[N-]S(=O)(=O)c2ccccc2C#N)c(OC)c1	ZINC000443106130	560070863	/nfs/dbraw/zinc/07/08/63/560070863.db2.gz	VZGZFPYKVDJZAR-UHFFFAOYSA-N	-1	3	362.407	2.063	20	30		FEEDHM
C=CC[C@@H](CO)CNC(=O)c1c[n-]c2ccc(Br)cc2c1=O	ZINC000444352944	560111084	/nfs/dbraw/zinc/11/10/84/560111084.db2.gz	QTWFZNIQEXNTIP-SNVBAGLBSA-N	-1	3	365.227	2.205	20	30		FEEDHM
C=CCN(C(=O)c1cc(C)nc(=O)[n-]1)[C@H](Cc1ccccc1)C(=O)OCC	ZINC000444371142	560112075	/nfs/dbraw/zinc/11/20/75/560112075.db2.gz	LGHBEZNIXMBUAI-QGZVFWFLSA-N	-1	3	369.421	2.293	20	30		FEEDHM
Cc1nc2n(n1)CCC[C@H]2[N-]S(=O)(=O)c1ccc(CC#N)cc1Cl	ZINC000451306376	560299127	/nfs/dbraw/zinc/29/91/27/560299127.db2.gz	XQALYPZQUGMFGJ-CYBMUJFWSA-N	-1	3	365.846	2.119	20	30		FEEDHM
CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@H]2CC[C@@H](CC#N)C2)c1	ZINC000451734757	560325583	/nfs/dbraw/zinc/32/55/83/560325583.db2.gz	LCOUSJVVFFZFOD-FZMZJTMJSA-N	-1	3	354.403	2.363	20	30		FEEDHM
N#Cc1c(Br)cccc1S(=O)(=O)[N-]CCC[C@@H]1CCOC1	ZINC000452017101	560345687	/nfs/dbraw/zinc/34/56/87/560345687.db2.gz	MXRWLEQCCRKFEM-LLVKDONJSA-N	-1	3	373.272	2.416	20	30		FEEDHM
C[C@@H](C(=O)Nc1cccc([C@]2(C)NC(=O)[N-]C2=O)c1)c1cccc(C#N)c1	ZINC000461919132	560788081	/nfs/dbraw/zinc/78/80/81/560788081.db2.gz	MFLPNTJMYFQJSC-ODXCJYRJSA-N	-1	3	362.389	2.355	20	30		FEEDHM
C[C@]1(c2ccc(CNc3cc(C#N)ccc3[N+](=O)[O-])cc2)NC(=O)[N-]C1=O	ZINC000466355059	560884891	/nfs/dbraw/zinc/88/48/91/560884891.db2.gz	FSQDFVZTOVFHRX-GOSISDBHSA-N	-1	3	365.349	2.133	20	30		FEEDHM
CC(C)[C@@H](C#N)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1	ZINC000470572715	560984858	/nfs/dbraw/zinc/98/48/58/560984858.db2.gz	BZRCVVIFQWHPSL-OAHLLOKOSA-N	-1	3	364.402	2.233	20	30		FEEDHM
C=CCCCCNS(=O)(=O)c1ccc([N-]S(=O)(=O)CC)c(F)c1	ZINC000472718223	561033704	/nfs/dbraw/zinc/03/37/04/561033704.db2.gz	ZROATHUYMLNSOX-UHFFFAOYSA-N	-1	3	364.464	2.222	20	30		FEEDHM
COCc1nc(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)n[n-]1	ZINC000474399485	561073259	/nfs/dbraw/zinc/07/32/59/561073259.db2.gz	KDHHZVIPBUDPQY-QMMMGPOBSA-N	-1	3	363.468	2.492	20	30		FEEDHM
Cc1cc(C(C#N)=C([O-])c2ccc(C(=O)N3CCOCC3)cc2)nc(C)n1	ZINC000528920967	562352905	/nfs/dbraw/zinc/35/29/05/562352905.db2.gz	WUEXSMMOGURQEJ-KRWDZBQOSA-N	-1	3	364.405	2.056	20	30		FEEDHM
C=CCn1c(=O)[n-]nc1SCC(=O)c1ccc2c(c1)C(C)(C)C(=O)N2	ZINC000532418723	562477238	/nfs/dbraw/zinc/47/72/38/562477238.db2.gz	JEMZHKKEHLAMCH-UHFFFAOYSA-N	-1	3	358.423	2.374	20	30		FEEDHM
COc1ccccc1[C@@H](CO)[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1	ZINC000533094180	562498061	/nfs/dbraw/zinc/49/80/61/562498061.db2.gz	KLAPWOFHZKAFQP-OAHLLOKOSA-N	-1	3	366.826	2.232	20	30		FEEDHM
N#CCc1ccc(C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2[O-])cc1	ZINC000535413744	562558050	/nfs/dbraw/zinc/55/80/50/562558050.db2.gz	OULJBZCBGPUORR-UHFFFAOYSA-N	-1	3	371.418	2.250	20	30		FEEDHM
CC(C)(C#N)CCS(=O)(=O)[N-]c1ccccc1-n1ncc(C#N)c1N	ZINC000550110612	562642697	/nfs/dbraw/zinc/64/26/97/562642697.db2.gz	ONIFGTRPKDKDEP-UHFFFAOYSA-N	-1	3	358.427	2.008	20	30		FEEDHM
N#C[C@@H](NC(=O)COc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)cc1	ZINC000737677134	598826072	/nfs/dbraw/zinc/82/60/72/598826072.db2.gz	ZWLCZSNQCBJBKJ-OAHLLOKOSA-N	-1	3	368.784	2.280	20	30		FEEDHM
C#CCOc1cccc(N[C@@H](C(=O)OC)c2ccc(-c3nnn[n-]3)cc2)c1	ZINC000735380944	598884144	/nfs/dbraw/zinc/88/41/44/598884144.db2.gz	ORBAFPXCHPUWQO-QGZVFWFLSA-N	-1	3	363.377	2.205	20	30		FEEDHM
C#CCOc1cccc(N[C@@H](C(=O)OC)c2ccc(-c3nn[n-]n3)cc2)c1	ZINC000735380944	598884145	/nfs/dbraw/zinc/88/41/45/598884145.db2.gz	ORBAFPXCHPUWQO-QGZVFWFLSA-N	-1	3	363.377	2.205	20	30		FEEDHM
CCOc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1OC	ZINC000736636933	598919852	/nfs/dbraw/zinc/91/98/52/598919852.db2.gz	LVKYSCABWCZRQG-UHFFFAOYSA-N	-1	3	364.365	2.398	20	30		FEEDHM
CCOc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1OC	ZINC000736636933	598919853	/nfs/dbraw/zinc/91/98/53/598919853.db2.gz	LVKYSCABWCZRQG-UHFFFAOYSA-N	-1	3	364.365	2.398	20	30		FEEDHM
COc1ccc(O[C@@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1	ZINC000737107271	598916483	/nfs/dbraw/zinc/91/64/83/598916483.db2.gz	AETIFIFIPJONEY-NSHDSACASA-N	-1	3	364.365	2.153	20	30		FEEDHM
COc1ccc(O[C@@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1	ZINC000737107271	598916484	/nfs/dbraw/zinc/91/64/84/598916484.db2.gz	AETIFIFIPJONEY-NSHDSACASA-N	-1	3	364.365	2.153	20	30		FEEDHM
C#CCN1C(=O)c2ccccc2N[C@H]1c1ccc(OC)c(-c2nnn[n-]2)c1	ZINC000819701379	599114954	/nfs/dbraw/zinc/11/49/54/599114954.db2.gz	FDSJLDXCACIOLW-GOSISDBHSA-N	-1	3	360.377	2.075	20	30		FEEDHM
C#CCN1C(=O)c2ccccc2N[C@H]1c1ccc(OC)c(-c2nn[n-]n2)c1	ZINC000819701379	599114955	/nfs/dbraw/zinc/11/49/55/599114955.db2.gz	FDSJLDXCACIOLW-GOSISDBHSA-N	-1	3	360.377	2.075	20	30		FEEDHM
COc1ccc(CN=Nc2ncnc3sccc32)cc1-c1nnn[n-]1	ZINC000737083575	599127673	/nfs/dbraw/zinc/12/76/73/599127673.db2.gz	RNZFJWNCYHHVCY-UHFFFAOYSA-N	-1	3	352.383	2.326	20	30		FEEDHM
COc1ccc(CN=Nc2ncnc3sccc32)cc1-c1nn[n-]n1	ZINC000737083575	599127676	/nfs/dbraw/zinc/12/76/76/599127676.db2.gz	RNZFJWNCYHHVCY-UHFFFAOYSA-N	-1	3	352.383	2.326	20	30		FEEDHM
C#C[C@H](NC(=O)CNC(=O)c1ccc([O-])cc1)c1ccc(Cl)cc1F	ZINC000807689711	674424257	/nfs/dbraw/zinc/42/42/57/674424257.db2.gz	VYSQFGBKJWJULH-INIZCTEOSA-N	-1	3	360.772	2.405	20	30		FEEDHM
CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)Nc1ccn(CCC#N)n1	ZINC000735662635	599275029	/nfs/dbraw/zinc/27/50/29/599275029.db2.gz	VQPMGPRZKDVYPV-UHFFFAOYSA-N	-1	3	368.405	2.177	20	30		FEEDHM
CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)Nc1ccn(CCC#N)n1	ZINC000735662635	599275030	/nfs/dbraw/zinc/27/50/30/599275030.db2.gz	VQPMGPRZKDVYPV-UHFFFAOYSA-N	-1	3	368.405	2.177	20	30		FEEDHM
C[C@@H](C#N)COC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1	ZINC000819857008	607323223	/nfs/dbraw/zinc/32/32/23/607323223.db2.gz	NYFLZVFAGPHNSO-NSHDSACASA-N	-1	3	353.338	2.355	20	30		FEEDHM
C[C@@H](C#N)COC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1	ZINC000819857008	607323224	/nfs/dbraw/zinc/32/32/24/607323224.db2.gz	NYFLZVFAGPHNSO-NSHDSACASA-N	-1	3	353.338	2.355	20	30		FEEDHM
CS(=O)(=O)Nc1cccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2)c1	ZINC000737168279	598296129	/nfs/dbraw/zinc/29/61/29/598296129.db2.gz	IRIYLAOEUQCDMM-YFHOEESVSA-N	-1	3	369.406	2.134	20	30		FEEDHM
CS(=O)(=O)Nc1cccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2)c1	ZINC000737168279	598296131	/nfs/dbraw/zinc/29/61/31/598296131.db2.gz	IRIYLAOEUQCDMM-YFHOEESVSA-N	-1	3	369.406	2.134	20	30		FEEDHM
C[C@H](Oc1ccc(C#N)cc1)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F	ZINC000736170854	598310691	/nfs/dbraw/zinc/31/06/91/598310691.db2.gz	YIAQKAVBNBUSJG-NSHDSACASA-N	-1	3	366.356	2.308	20	30		FEEDHM
C[C@H](Oc1ccc(C#N)cc1)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F	ZINC000736170854	598310693	/nfs/dbraw/zinc/31/06/93/598310693.db2.gz	YIAQKAVBNBUSJG-NSHDSACASA-N	-1	3	366.356	2.308	20	30		FEEDHM
Fc1ccc(C2N=NC(=S)N2N=Cc2ccc(-c3nnn[n-]3)cc2)cc1	ZINC000737650173	598425245	/nfs/dbraw/zinc/42/52/45/598425245.db2.gz	GLBBOPUJJRTKNV-UHFFFAOYSA-N	-1	3	366.385	2.435	20	30		FEEDHM
Fc1ccc(C2N=NC(=S)N2N=Cc2ccc(-c3nn[n-]n3)cc2)cc1	ZINC000737650173	598425246	/nfs/dbraw/zinc/42/52/46/598425246.db2.gz	GLBBOPUJJRTKNV-UHFFFAOYSA-N	-1	3	366.385	2.435	20	30		FEEDHM
COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1ccc(C#N)cn1	ZINC000737027017	598438205	/nfs/dbraw/zinc/43/82/05/598438205.db2.gz	XGSLEUVLAIQAFQ-UHFFFAOYSA-N	-1	3	356.729	2.015	20	30		FEEDHM
COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1ccc(C#N)cn1	ZINC000737027017	598438207	/nfs/dbraw/zinc/43/82/07/598438207.db2.gz	XGSLEUVLAIQAFQ-UHFFFAOYSA-N	-1	3	356.729	2.015	20	30		FEEDHM
CCOc1cc(C#N)cc(Cl)c1OC(=O)c1ccc(-c2nnn[n-]2)cn1	ZINC000736627686	598438388	/nfs/dbraw/zinc/43/83/88/598438388.db2.gz	RGHKELLCOZHPSI-UHFFFAOYSA-N	-1	3	370.756	2.405	20	30		FEEDHM
CCOc1cc(C#N)cc(Cl)c1OC(=O)c1ccc(-c2nn[n-]n2)cn1	ZINC000736627686	598438390	/nfs/dbraw/zinc/43/83/90/598438390.db2.gz	RGHKELLCOZHPSI-UHFFFAOYSA-N	-1	3	370.756	2.405	20	30		FEEDHM
CCCC1(C=NN2CC(=O)[N-]C2=O)CCN(C(=O)OC(C)(C)C)CC1	ZINC000807959866	674436196	/nfs/dbraw/zinc/43/61/96/674436196.db2.gz	DHQABKQXQGUTAS-UHFFFAOYSA-N	-1	3	352.435	2.341	20	30		FEEDHM
N#Cc1ccc(COC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)cc1	ZINC000737718737	598620484	/nfs/dbraw/zinc/62/04/84/598620484.db2.gz	OZGNDSXIWXLPKS-GOSISDBHSA-N	-1	3	374.404	2.451	20	30		FEEDHM
COc1cc(C#N)ccc1OC(=O)CSc1ccc(-c2nnn[n-]2)cc1	ZINC000737034612	598649072	/nfs/dbraw/zinc/64/90/72/598649072.db2.gz	KTHKPUDQIRJUFM-UHFFFAOYSA-N	-1	3	367.390	2.445	20	30		FEEDHM
COc1cc(C#N)ccc1OC(=O)CSc1ccc(-c2nn[n-]n2)cc1	ZINC000737034612	598649074	/nfs/dbraw/zinc/64/90/74/598649074.db2.gz	KTHKPUDQIRJUFM-UHFFFAOYSA-N	-1	3	367.390	2.445	20	30		FEEDHM
N#CCCN(C(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1	ZINC000737686880	598690343	/nfs/dbraw/zinc/69/03/43/598690343.db2.gz	MRCKTJJGZWHZOR-UHFFFAOYSA-N	-1	3	350.357	2.495	20	30		FEEDHM
N#CCCN(C(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1	ZINC000737686880	598690345	/nfs/dbraw/zinc/69/03/45/598690345.db2.gz	MRCKTJJGZWHZOR-UHFFFAOYSA-N	-1	3	350.357	2.495	20	30		FEEDHM
Cc1cc(C(N)=NOCCCOc2ccc(-c3nn[n-]n3)cc2)ccc1F	ZINC000737246970	598698570	/nfs/dbraw/zinc/69/85/70/598698570.db2.gz	WPZOSUWVHAADAO-UHFFFAOYSA-N	-1	3	370.388	2.420	20	30		FEEDHM
C=C(Br)COC(=O)CSc1ccc(-c2nnn[n-]2)cc1	ZINC000735398235	598713005	/nfs/dbraw/zinc/71/30/05/598713005.db2.gz	GAHUNZXYYOKUFR-UHFFFAOYSA-N	-1	3	355.217	2.411	20	30		FEEDHM
C=C(Br)COC(=O)CSc1ccc(-c2nn[n-]n2)cc1	ZINC000735398235	598713007	/nfs/dbraw/zinc/71/30/07/598713007.db2.gz	GAHUNZXYYOKUFR-UHFFFAOYSA-N	-1	3	355.217	2.411	20	30		FEEDHM
C[C@H](NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1cccc(C#N)c1	ZINC000820368233	599460770	/nfs/dbraw/zinc/46/07/70/599460770.db2.gz	YIHDAOLZVJMSLO-NSHDSACASA-N	-1	3	365.372	2.438	20	30		FEEDHM
C[C@H](NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1cccc(C#N)c1	ZINC000820368233	599460772	/nfs/dbraw/zinc/46/07/72/599460772.db2.gz	YIHDAOLZVJMSLO-NSHDSACASA-N	-1	3	365.372	2.438	20	30		FEEDHM
N#CCC[C@@H](NC(=O)COc1ccccc1-c1nnn[n-]1)c1ccccc1	ZINC000826381465	607429346	/nfs/dbraw/zinc/42/93/46/607429346.db2.gz	MWRWWLNFNKCLLC-MRXNPFEDSA-N	-1	3	362.393	2.407	20	30		FEEDHM
N#CCC[C@@H](NC(=O)COc1ccccc1-c1nn[n-]n1)c1ccccc1	ZINC000826381465	607429347	/nfs/dbraw/zinc/42/93/47/607429347.db2.gz	MWRWWLNFNKCLLC-MRXNPFEDSA-N	-1	3	362.393	2.407	20	30		FEEDHM
Cc1oc(NC(=O)CN(CCC#N)Cc2ccco2)c(-c2nnn[n-]2)c1C	ZINC000822548157	607454397	/nfs/dbraw/zinc/45/43/97/607454397.db2.gz	GOBAWMXNUYGOKJ-UHFFFAOYSA-N	-1	3	369.385	2.024	20	30		FEEDHM
CCn1ccnc1CN1CCCN([C@H](C(=O)[O-])c2ccc(C#N)cc2)CC1	ZINC000737302242	600570148	/nfs/dbraw/zinc/57/01/48/600570148.db2.gz	AAPMPTPJOJQROM-IBGZPJMESA-N	-1	3	367.453	2.108	20	30		FEEDHM
CCc1nsc(N2CCCN([C@@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)n1	ZINC000830351454	601052935	/nfs/dbraw/zinc/05/29/35/601052935.db2.gz	XLGWOVMQJAUWNP-MRXNPFEDSA-N	-1	3	371.466	2.310	20	30		FEEDHM
Cc1nc(CN2CCCN([C@H](C(=O)[O-])c3cccc(C#N)c3)CC2)oc1C	ZINC000833001187	601315467	/nfs/dbraw/zinc/31/54/67/601315467.db2.gz	QOCNZWRKLCYTMH-IBGZPJMESA-N	-1	3	368.437	2.497	20	30		FEEDHM
CC[C@@](NCCS(=O)(=O)c1ccc(C#N)cc1)(C(=O)[O-])c1ccccc1	ZINC000828988950	601376535	/nfs/dbraw/zinc/37/65/35/601376535.db2.gz	LEBNSECZOBQPPV-IBGZPJMESA-N	-1	3	372.446	2.312	20	30		FEEDHM
Cc1sc(NC(=O)CN[C@@](C)(CNC(=O)[O-])C(C)C)c(C#N)c1C	ZINC000830956518	603754523	/nfs/dbraw/zinc/75/45/23/603754523.db2.gz	IMLNFXLLJCZTRX-INIZCTEOSA-N	-1	3	352.460	2.447	20	30		FEEDHM
Cc1cccc(S(=O)(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1C#N	ZINC000826303031	607656382	/nfs/dbraw/zinc/65/63/82/607656382.db2.gz	YIPUENIRBVZLID-GFCCVEGCSA-N	-1	3	368.422	2.086	20	30		FEEDHM
Cc1cccc(S(=O)(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1C#N	ZINC000826303031	607656383	/nfs/dbraw/zinc/65/63/83/607656383.db2.gz	YIPUENIRBVZLID-GFCCVEGCSA-N	-1	3	368.422	2.086	20	30		FEEDHM
COc1ccc(NC(=O)C(C#N)C(=O)[C@H]2CCC[C@H](NC(=O)[O-])C2)cc1	ZINC000829442220	604221882	/nfs/dbraw/zinc/22/18/82/604221882.db2.gz	LDTODJZMHHICAX-CORIIIEPSA-N	-1	3	359.382	2.169	20	30		FEEDHM
S=C(NCCc1cccs1)NN=Cc1cc(-c2nnn[n-]2)cs1	ZINC000823733541	606206791	/nfs/dbraw/zinc/20/67/91/606206791.db2.gz	YGVQROCYCAMJTB-UHFFFAOYSA-N	-1	3	363.497	2.030	20	30		FEEDHM
S=C(NCCc1cccs1)NN=Cc1cc(-c2nn[n-]n2)cs1	ZINC000823733541	606206792	/nfs/dbraw/zinc/20/67/92/606206792.db2.gz	YGVQROCYCAMJTB-UHFFFAOYSA-N	-1	3	363.497	2.030	20	30		FEEDHM
Cc1ccc(C#N)cc1N[C@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O	ZINC000822225340	606248414	/nfs/dbraw/zinc/24/84/14/606248414.db2.gz	ZGIOLTOMFVYSOQ-ZDUSSCGKSA-N	-1	3	365.422	2.326	20	30		FEEDHM
Cc1ccc(C#N)cc1N[C@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O	ZINC000822225340	606248415	/nfs/dbraw/zinc/24/84/15/606248415.db2.gz	ZGIOLTOMFVYSOQ-ZDUSSCGKSA-N	-1	3	365.422	2.326	20	30		FEEDHM
C=CCCCCCN(C)C(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1	ZINC000819740190	606401828	/nfs/dbraw/zinc/40/18/28/606401828.db2.gz	SODJKJQDMGZNNN-UHFFFAOYSA-N	-1	3	360.393	2.149	20	30		FEEDHM
C=CCCCCCN(C)C(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1	ZINC000819740190	606401829	/nfs/dbraw/zinc/40/18/29/606401829.db2.gz	SODJKJQDMGZNNN-UHFFFAOYSA-N	-1	3	360.393	2.149	20	30		FEEDHM
C[C@@](C#N)(CCc1ccccc1)NC(=O)Cc1cccc(-c2nnn[n-]2)c1	ZINC000819844468	606556084	/nfs/dbraw/zinc/55/60/84/606556084.db2.gz	IPGDINYMBLZEJP-FQEVSTJZSA-N	-1	3	360.421	2.440	20	30		FEEDHM
C[C@@](C#N)(CCc1ccccc1)NC(=O)Cc1cccc(-c2nn[n-]n2)c1	ZINC000819844468	606556085	/nfs/dbraw/zinc/55/60/85/606556085.db2.gz	IPGDINYMBLZEJP-FQEVSTJZSA-N	-1	3	360.421	2.440	20	30		FEEDHM
C#CCOc1cc(F)ccc1NC(=O)Cc1cccc(-c2nnn[n-]2)c1	ZINC000819701322	606572211	/nfs/dbraw/zinc/57/22/11/606572211.db2.gz	CJVFKDJDAQRQKD-UHFFFAOYSA-N	-1	3	351.341	2.199	20	30		FEEDHM
C#CCOc1cc(F)ccc1NC(=O)Cc1cccc(-c2nn[n-]n2)c1	ZINC000819701322	606572212	/nfs/dbraw/zinc/57/22/12/606572212.db2.gz	CJVFKDJDAQRQKD-UHFFFAOYSA-N	-1	3	351.341	2.199	20	30		FEEDHM
COc1cc(C)c(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1OC	ZINC000821708402	606681090	/nfs/dbraw/zinc/68/10/90/606681090.db2.gz	PBGAXVKEGHVRDC-UHFFFAOYSA-N	-1	3	364.365	2.316	20	30		FEEDHM
COc1cc(C)c(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1OC	ZINC000821708402	606681091	/nfs/dbraw/zinc/68/10/91/606681091.db2.gz	PBGAXVKEGHVRDC-UHFFFAOYSA-N	-1	3	364.365	2.316	20	30		FEEDHM
N#CCOc1cc(F)ccc1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1	ZINC000822810373	606772867	/nfs/dbraw/zinc/77/28/67/606772867.db2.gz	HPUSLUCCGVKBFH-UHFFFAOYSA-N	-1	3	367.344	2.230	20	30		FEEDHM
N#CCOc1cc(F)ccc1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1	ZINC000822810373	606772869	/nfs/dbraw/zinc/77/28/69/606772869.db2.gz	HPUSLUCCGVKBFH-UHFFFAOYSA-N	-1	3	367.344	2.230	20	30		FEEDHM
N#Cc1ccc(CNC(=O)COc2cc(Cl)ccc2-c2nnn[n-]2)cc1	ZINC000822825499	606781632	/nfs/dbraw/zinc/78/16/32/606781632.db2.gz	IBJRRKQRRKSGNX-UHFFFAOYSA-N	-1	3	368.784	2.087	20	30		FEEDHM
N#Cc1ccc(CNC(=O)COc2cc(Cl)ccc2-c2nn[n-]n2)cc1	ZINC000822825499	606781634	/nfs/dbraw/zinc/78/16/34/606781634.db2.gz	IBJRRKQRRKSGNX-UHFFFAOYSA-N	-1	3	368.784	2.087	20	30		FEEDHM
C=C(C)COCCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1	ZINC000819723075	606791026	/nfs/dbraw/zinc/79/10/26/606791026.db2.gz	XDOZPPBQLOWSAX-UHFFFAOYSA-N	-1	3	355.358	2.328	20	30		FEEDHM
C=C(C)COCCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1	ZINC000819723075	606791027	/nfs/dbraw/zinc/79/10/27/606791027.db2.gz	XDOZPPBQLOWSAX-UHFFFAOYSA-N	-1	3	355.358	2.328	20	30		FEEDHM
N#CCOc1ccccc1C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1	ZINC000822814507	606997358	/nfs/dbraw/zinc/99/73/58/606997358.db2.gz	GSRHREJDAHZWAM-UHFFFAOYSA-N	-1	3	353.313	2.265	20	30		FEEDHM
N#CCOc1ccccc1C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1	ZINC000822814507	606997359	/nfs/dbraw/zinc/99/73/59/606997359.db2.gz	GSRHREJDAHZWAM-UHFFFAOYSA-N	-1	3	353.313	2.265	20	30		FEEDHM
N#Cc1ccc(F)cc1CN1CCN(c2ccccc2-c2nnn[n-]2)CC1	ZINC000822829952	607063607	/nfs/dbraw/zinc/06/36/07/607063607.db2.gz	QQQHMBNXDIXGCY-UHFFFAOYSA-N	-1	3	363.400	2.200	20	30		FEEDHM
N#Cc1ccc(F)cc1CN1CCN(c2ccccc2-c2nn[n-]n2)CC1	ZINC000822829952	607063609	/nfs/dbraw/zinc/06/36/09/607063609.db2.gz	QQQHMBNXDIXGCY-UHFFFAOYSA-N	-1	3	363.400	2.200	20	30		FEEDHM
N#Cc1ccc(NCC(=O)OCc2cc(F)ccc2-c2nnn[n-]2)cc1	ZINC000822830200	607080668	/nfs/dbraw/zinc/08/06/68/607080668.db2.gz	WVWZSTUEIGCKQY-UHFFFAOYSA-N	-1	3	352.329	2.033	20	30		FEEDHM
N#Cc1ccc(NCC(=O)OCc2cc(F)ccc2-c2nn[n-]n2)cc1	ZINC000822830200	607080670	/nfs/dbraw/zinc/08/06/70/607080670.db2.gz	WVWZSTUEIGCKQY-UHFFFAOYSA-N	-1	3	352.329	2.033	20	30		FEEDHM
N#CC1(NC(=O)CNc2ccc(-c3nn[n-]n3)cc2Cl)CCCCC1	ZINC000822800919	607125290	/nfs/dbraw/zinc/12/52/90/607125290.db2.gz	AVGALJNETNDYSW-UHFFFAOYSA-N	-1	3	359.821	2.275	20	30		FEEDHM
C[C@@H](C#N)CN(CC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C1CC1	ZINC000824034345	607831390	/nfs/dbraw/zinc/83/13/90/607831390.db2.gz	IPVOSSAEDOQFFU-JTQLQIEISA-N	-1	3	359.821	2.083	20	30		FEEDHM
C[C@@H](C#N)CN(CC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C1CC1	ZINC000824034345	607831391	/nfs/dbraw/zinc/83/13/91/607831391.db2.gz	IPVOSSAEDOQFFU-JTQLQIEISA-N	-1	3	359.821	2.083	20	30		FEEDHM
C[C@H](Sc1ccc(-c2nnn[n-]2)cc1Cl)C(=O)N(C)CCC#N	ZINC000824757586	607844516	/nfs/dbraw/zinc/84/45/16/607844516.db2.gz	XZPJSYLRKQTIST-VIFPVBQESA-N	-1	3	350.835	2.373	20	30		FEEDHM
C[C@H](Sc1ccc(-c2nn[n-]n2)cc1Cl)C(=O)N(C)CCC#N	ZINC000824757586	607844517	/nfs/dbraw/zinc/84/45/17/607844517.db2.gz	XZPJSYLRKQTIST-VIFPVBQESA-N	-1	3	350.835	2.373	20	30		FEEDHM
CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCc2ccc(C#N)cc21	ZINC000824171557	607951437	/nfs/dbraw/zinc/95/14/37/607951437.db2.gz	BZSFOFPDHBKRGN-UHFFFAOYSA-N	-1	3	374.404	2.485	20	30		FEEDHM
CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCc2ccc(C#N)cc21	ZINC000824171557	607951438	/nfs/dbraw/zinc/95/14/38/607951438.db2.gz	BZSFOFPDHBKRGN-UHFFFAOYSA-N	-1	3	374.404	2.485	20	30		FEEDHM
N#Cc1ccc(NC(=O)C=Cc2ccnc(Cl)c2)cc1-c1nnn[n-]1	ZINC000826385742	607962653	/nfs/dbraw/zinc/96/26/53/607962653.db2.gz	YTUGHIRSVLZGRY-RJRFIUFISA-N	-1	3	351.757	2.439	20	30		FEEDHM
N#Cc1ccc(NC(=O)C=Cc2ccnc(Cl)c2)cc1-c1nn[n-]n1	ZINC000826385742	607962654	/nfs/dbraw/zinc/96/26/54/607962654.db2.gz	YTUGHIRSVLZGRY-RJRFIUFISA-N	-1	3	351.757	2.439	20	30		FEEDHM
N#Cc1ccc(NC(=O)C=Cc2ccnc(Cl)c2)cc1-c1nnn[n-]1	ZINC000826385741	607962713	/nfs/dbraw/zinc/96/27/13/607962713.db2.gz	YTUGHIRSVLZGRY-DAFODLJHSA-N	-1	3	351.757	2.439	20	30		FEEDHM
N#Cc1ccc(NC(=O)C=Cc2ccnc(Cl)c2)cc1-c1nn[n-]n1	ZINC000826385741	607962714	/nfs/dbraw/zinc/96/27/14/607962714.db2.gz	YTUGHIRSVLZGRY-DAFODLJHSA-N	-1	3	351.757	2.439	20	30		FEEDHM
COc1ccc(CON=C(N)c2ccc(F)c(C)c2)cc1-c1nnn[n-]1	ZINC000826207095	607972585	/nfs/dbraw/zinc/97/25/85/607972585.db2.gz	ZXBYQJUIHPVFJB-UHFFFAOYSA-N	-1	3	356.361	2.160	20	30		FEEDHM
COc1ccc(CON=C(N)c2ccc(F)c(C)c2)cc1-c1nn[n-]n1	ZINC000826207095	607972586	/nfs/dbraw/zinc/97/25/86/607972586.db2.gz	ZXBYQJUIHPVFJB-UHFFFAOYSA-N	-1	3	356.361	2.160	20	30		FEEDHM
CCOC(=O)[C@@H]1CCC(=NNCc2ccc(-c3nnn[n-]3)cc2)[C@@H](C)C1	ZINC000825499037	608053938	/nfs/dbraw/zinc/05/39/38/608053938.db2.gz	GDGNXXISVFJRGE-SWLSCSKDSA-N	-1	3	356.430	2.312	20	30		FEEDHM
CCOC(=O)[C@@H]1CCC(=NNCc2ccc(-c3nn[n-]n3)cc2)[C@@H](C)C1	ZINC000825499037	608053939	/nfs/dbraw/zinc/05/39/39/608053939.db2.gz	GDGNXXISVFJRGE-SWLSCSKDSA-N	-1	3	356.430	2.312	20	30		FEEDHM
Fc1ccc(C#CCN2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1	ZINC000826373763	608072008	/nfs/dbraw/zinc/07/20/08/608072008.db2.gz	YWQGCFPTZCZIGC-LJQANCHMSA-N	-1	3	363.396	2.431	20	30		FEEDHM
Fc1ccc(C#CCN2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1	ZINC000826373763	608072009	/nfs/dbraw/zinc/07/20/09/608072009.db2.gz	YWQGCFPTZCZIGC-LJQANCHMSA-N	-1	3	363.396	2.431	20	30		FEEDHM
COCCOc1ccc(C#N)cc1NCc1cc(-c2nnn[n-]2)cs1	ZINC000826162539	608136518	/nfs/dbraw/zinc/13/65/18/608136518.db2.gz	HISQRZRPXUZZSY-UHFFFAOYSA-N	-1	3	356.411	2.437	20	30		FEEDHM
COCCOc1ccc(C#N)cc1NCc1cc(-c2nn[n-]n2)cs1	ZINC000826162539	608136519	/nfs/dbraw/zinc/13/65/19/608136519.db2.gz	HISQRZRPXUZZSY-UHFFFAOYSA-N	-1	3	356.411	2.437	20	30		FEEDHM
COc1ccc(-c2nnn[n-]2)cc1CON=C(C)Cn1nc(C)cc1C	ZINC000826184597	608150671	/nfs/dbraw/zinc/15/06/71/608150671.db2.gz	CSNXQQQAVODVRJ-UHFFFAOYSA-N	-1	3	355.402	2.281	20	30		FEEDHM
COc1ccc(-c2nn[n-]n2)cc1CON=C(C)Cn1nc(C)cc1C	ZINC000826184597	608150673	/nfs/dbraw/zinc/15/06/73/608150673.db2.gz	CSNXQQQAVODVRJ-UHFFFAOYSA-N	-1	3	355.402	2.281	20	30		FEEDHM
C=CCOCCCC(=O)Nc1nc2cc(-c3nnn[n-]3)ccc2n1CC	ZINC000823925914	608176970	/nfs/dbraw/zinc/17/69/70/608176970.db2.gz	QVHLAWUMFPASOL-UHFFFAOYSA-N	-1	3	355.402	2.158	20	30		FEEDHM
C=CCOCCCC(=O)Nc1nc2cc(-c3nn[n-]n3)ccc2n1CC	ZINC000823925914	608176971	/nfs/dbraw/zinc/17/69/71/608176971.db2.gz	QVHLAWUMFPASOL-UHFFFAOYSA-N	-1	3	355.402	2.158	20	30		FEEDHM
C=CCOCCCC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1	ZINC000823925959	608484055	/nfs/dbraw/zinc/48/40/55/608484055.db2.gz	SMMPAXQYKQRNHJ-UHFFFAOYSA-N	-1	3	353.426	2.465	20	30		FEEDHM
C=CCOCCCC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1	ZINC000823925959	608484056	/nfs/dbraw/zinc/48/40/56/608484056.db2.gz	SMMPAXQYKQRNHJ-UHFFFAOYSA-N	-1	3	353.426	2.465	20	30		FEEDHM
N#CCOc1cccc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)c1	ZINC000826381970	608539987	/nfs/dbraw/zinc/53/99/87/608539987.db2.gz	IEHGIWAWTSIXBW-UHFFFAOYSA-N	-1	3	354.761	2.263	20	30		FEEDHM
N#CCOc1cccc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)c1	ZINC000826381970	608539989	/nfs/dbraw/zinc/53/99/89/608539989.db2.gz	IEHGIWAWTSIXBW-UHFFFAOYSA-N	-1	3	354.761	2.263	20	30		FEEDHM
N#Cc1ccc(CN2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)o1	ZINC000826384612	608604330	/nfs/dbraw/zinc/60/43/30/608604330.db2.gz	CHAXVWPTYMFFJH-UHFFFAOYSA-N	-1	3	350.382	2.375	20	30		FEEDHM
N#Cc1ccc(N2CCN(Cc3ccc(-c4nnn[n-]4)s3)CC2)c(F)c1	ZINC000826385777	608640865	/nfs/dbraw/zinc/64/08/65/608640865.db2.gz	ZYWHZSBGSGWDGE-UHFFFAOYSA-N	-1	3	369.429	2.261	20	30		FEEDHM
N#Cc1ccc(N2CCN(Cc3ccc(-c4nn[n-]n4)s3)CC2)c(F)c1	ZINC000826385777	608640866	/nfs/dbraw/zinc/64/08/66/608640866.db2.gz	ZYWHZSBGSGWDGE-UHFFFAOYSA-N	-1	3	369.429	2.261	20	30		FEEDHM
N#Cc1ccc(OC2CCC(Nc3cnccc3-c3nnn[n-]3)CC2)nc1	ZINC000826386221	608796964	/nfs/dbraw/zinc/79/69/64/608796964.db2.gz	VDLDQXWCFHNEKL-UHFFFAOYSA-N	-1	3	362.397	2.330	20	30		FEEDHM
N#Cc1ccc(OC2CCC(Nc3cnccc3-c3nn[n-]n3)CC2)nc1	ZINC000826386221	608796965	/nfs/dbraw/zinc/79/69/65/608796965.db2.gz	VDLDQXWCFHNEKL-UHFFFAOYSA-N	-1	3	362.397	2.330	20	30		FEEDHM
COCCc1nc(C)c(C(C)=NNCc2ccc(-c3nnn[n-]3)cc2)s1	ZINC000826163443	608882710	/nfs/dbraw/zinc/88/27/10/608882710.db2.gz	VBNPHPDKANCEQP-UHFFFAOYSA-N	-1	3	371.470	2.334	20	30		FEEDHM
COCCc1nc(C)c(C(C)=NNCc2ccc(-c3nn[n-]n3)cc2)s1	ZINC000826163443	608882712	/nfs/dbraw/zinc/88/27/12/608882712.db2.gz	VBNPHPDKANCEQP-UHFFFAOYSA-N	-1	3	371.470	2.334	20	30		FEEDHM
C#CCCCCCC(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1	ZINC000823841263	609163829	/nfs/dbraw/zinc/16/38/29/609163829.db2.gz	KPIBKSSVSMDQKI-QGZVFWFLSA-N	-1	3	353.426	2.350	20	30		FEEDHM
C#CCCCCCC(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1	ZINC000823841263	609163831	/nfs/dbraw/zinc/16/38/31/609163831.db2.gz	KPIBKSSVSMDQKI-QGZVFWFLSA-N	-1	3	353.426	2.350	20	30		FEEDHM
Cc1cc(C(=O)Oc2ccc(-c3nnn[n-]3)cc2)nn1-c1cccc(C#N)c1	ZINC000826261660	609504777	/nfs/dbraw/zinc/50/47/77/609504777.db2.gz	MPOCUZULAHXPQU-UHFFFAOYSA-N	-1	3	371.360	2.452	20	30		FEEDHM
Cc1cc(C(=O)Oc2ccc(-c3nn[n-]n3)cc2)nn1-c1cccc(C#N)c1	ZINC000826261660	609504779	/nfs/dbraw/zinc/50/47/79/609504779.db2.gz	MPOCUZULAHXPQU-UHFFFAOYSA-N	-1	3	371.360	2.452	20	30		FEEDHM
CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)OCc1ccccc1-c1nnn[n-]1	ZINC000824099834	609624765	/nfs/dbraw/zinc/62/47/65/609624765.db2.gz	JMNYELQEEJMVOR-SFHVURJKSA-N	-1	3	371.397	2.172	20	30		FEEDHM
CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)OCc1ccccc1-c1nn[n-]n1	ZINC000824099834	609624766	/nfs/dbraw/zinc/62/47/66/609624766.db2.gz	JMNYELQEEJMVOR-SFHVURJKSA-N	-1	3	371.397	2.172	20	30		FEEDHM
N#Cc1cc([O-])cc(C(=O)OCCCS(=O)(=O)c2ccc(F)cc2)c1	ZINC000811185084	674586919	/nfs/dbraw/zinc/58/69/19/674586919.db2.gz	YLROLAKQFPLFBY-UHFFFAOYSA-N	-1	3	363.366	2.424	20	30		FEEDHM
Cn1c2cc([O-])c(NC(=S)Nc3ccccc3C#N)cc2n(C)c1=O	ZINC000811721145	674623233	/nfs/dbraw/zinc/62/32/33/674623233.db2.gz	QTRSZRCNBMEASS-UHFFFAOYSA-N	-1	3	353.407	2.263	20	30		FEEDHM
CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NCCCCF	ZINC000812610601	674687721	/nfs/dbraw/zinc/68/77/21/674687721.db2.gz	HXGZTPXLTDUDPZ-AWEZNQCLSA-N	-1	3	369.462	2.150	20	30		FEEDHM
C=CCC(C)(C)CNC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000814420520	674846170	/nfs/dbraw/zinc/84/61/70/674846170.db2.gz	AKJAJWGOKDSMOF-ZDUSSCGKSA-N	-1	3	363.483	2.222	20	30		FEEDHM
CC(=N[N-]S(=O)(=O)Cc1ccccc1)c1cn(-c2ccccc2)nn1	ZINC000814816511	674881650	/nfs/dbraw/zinc/88/16/50/674881650.db2.gz	PDIHDGFHVWURNX-UHFFFAOYSA-N	-1	3	355.423	2.111	20	30		FEEDHM
Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)N[C@@H]1CCN([O-])C1=O	ZINC000816693672	675073730	/nfs/dbraw/zinc/07/37/30/675073730.db2.gz	PSJRYOIUVFKJBQ-MRVPVSSYSA-N	-1	3	359.329	2.343	20	30		FEEDHM
O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)N[C@H]1CCCN([O-])C1=O	ZINC000816758016	675077886	/nfs/dbraw/zinc/07/78/86/675077886.db2.gz	GURNTXRSGFTINC-ZDUSSCGKSA-N	-1	3	363.801	2.424	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)NCc2cccs2)ccc1F	ZINC000045297440	670202785	/nfs/dbraw/zinc/20/27/85/670202785.db2.gz	CUEOSPHWFOFUHK-UHFFFAOYSA-N	-1	3	354.428	2.282	20	30		FEEDHM
C#Cc1cccc(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)cc2F)c1	ZINC000056120849	670359618	/nfs/dbraw/zinc/35/96/18/670359618.db2.gz	YXKIJOQKSIZXAE-UHFFFAOYSA-N	-1	3	366.801	2.377	20	30		FEEDHM
C[S@@](=O)Cc1ccc(Cl)c([N-]S(=O)(=O)c2cncc(C#N)c2)c1	ZINC000572774378	671043232	/nfs/dbraw/zinc/04/32/32/671043232.db2.gz	GPBUKAIZXYQOJE-JOCHJYFZSA-N	-1	3	369.855	2.286	20	30		FEEDHM
CC(=O)Nc1ncc(S(=O)(=O)[N-][C@@H](C)c2cccc(C#N)c2)s1	ZINC000588117011	672450688	/nfs/dbraw/zinc/45/06/88/672450688.db2.gz	PIYREKKCTAFRDW-VIFPVBQESA-N	-1	3	350.425	2.013	20	30		FEEDHM
COC(=O)[C@H]([N-]S(=O)(=O)Cc1ccc(CC#N)cc1)C1CCCCC1	ZINC000592036397	672738854	/nfs/dbraw/zinc/73/88/54/672738854.db2.gz	VVRIBNFCGVDHEL-QGZVFWFLSA-N	-1	3	364.467	2.294	20	30		FEEDHM
COC(=O)C[C@@H]([N-]S(=O)(=O)CC1(C#N)CCCC1)c1cccs1	ZINC000612668306	676092699	/nfs/dbraw/zinc/09/26/99/676092699.db2.gz	BZEBZHOSRHQTNR-GFCCVEGCSA-N	-1	3	356.469	2.356	20	30		FEEDHM
N#CC1(CS(=O)(=O)[N-][C@H]2CCc3ccccc3NC2=O)CCCCC1	ZINC000594474697	673080944	/nfs/dbraw/zinc/08/09/44/673080944.db2.gz	QUJUJBWPVFBJKW-INIZCTEOSA-N	-1	3	361.467	2.333	20	30		FEEDHM
CCN(C[C@@H](C)C#N)S(=O)(=O)[N-][C@@H](Cc1ccccc1)c1ncco1	ZINC000594487460	673090700	/nfs/dbraw/zinc/09/07/00/673090700.db2.gz	IREGJDFJNNXGCE-HOCLYGCPSA-N	-1	3	362.455	2.274	20	30		FEEDHM
COC(=O)c1ccc(S(=O)(=O)[N-]Cc2cc(C#N)ccc2F)s1	ZINC000462723622	673279322	/nfs/dbraw/zinc/27/93/22/673279322.db2.gz	UDDKAYCAYHMLIB-UHFFFAOYSA-N	-1	3	354.384	2.024	20	30		FEEDHM
CCn1cc(C=Nn2c(=S)[n-]nc2[C@@H]2COc3ccccc3O2)cn1	ZINC000732527941	673370831	/nfs/dbraw/zinc/37/08/31/673370831.db2.gz	OONPHBATKFXCIV-AWEZNQCLSA-N	-1	3	356.411	2.178	20	30		FEEDHM
C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)n1ccc(C=N[O-])nc1=O	ZINC000736302820	673519347	/nfs/dbraw/zinc/51/93/47/673519347.db2.gz	SLSCCDBDTYZGAH-VIFPVBQESA-N	-1	3	354.288	2.270	20	30		FEEDHM
N#Cc1cccnc1NCC[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1	ZINC000738364173	673618966	/nfs/dbraw/zinc/61/89/66/673618966.db2.gz	NGHWSRVTNKOYTF-UHFFFAOYSA-N	-1	3	372.237	2.045	20	30		FEEDHM
COc1ccc(OCCS(=O)(=O)[N-]c2cccc(OCC#N)c2)cc1	ZINC000742028913	673704525	/nfs/dbraw/zinc/70/45/25/673704525.db2.gz	NMGUSTDSIYKOPM-UHFFFAOYSA-N	-1	3	362.407	2.418	20	30		FEEDHM
Cc1ccc(NC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1	ZINC000742464655	673728830	/nfs/dbraw/zinc/72/88/30/673728830.db2.gz	LZVGTXGWBJNUCO-CYBMUJFWSA-N	-1	3	357.435	2.451	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H](C)S[C@@H](C)C2)ccc1F	ZINC000742773846	673737886	/nfs/dbraw/zinc/73/78/86/673737886.db2.gz	WRDYTWAUBWPENP-TXEJJXNPSA-N	-1	3	372.487	2.256	20	30		FEEDHM
CC(=N[N-]S(=O)(=O)CCc1ccccc1)c1ccc2[nH]c(=O)[nH]c2c1	ZINC000743448322	673760191	/nfs/dbraw/zinc/76/01/91/673760191.db2.gz	JRFULSZQLDQJNK-UHFFFAOYSA-N	-1	3	358.423	2.155	20	30		FEEDHM
CCc1nn(C)c(Cl)c1C=N[N-]S(=O)(=O)CCc1ccccc1	ZINC000743448951	673760250	/nfs/dbraw/zinc/76/02/50/673760250.db2.gz	IPDPKKZJDXIFEH-UHFFFAOYSA-N	-1	3	354.863	2.132	20	30		FEEDHM
N#CCN1CCC([N-]S(=O)(=O)c2csnc2-c2ccccc2)CC1	ZINC000601340339	673844916	/nfs/dbraw/zinc/84/49/16/673844916.db2.gz	QJXBJNYNFULNEU-UHFFFAOYSA-N	-1	3	362.480	2.076	20	30		FEEDHM
N#Cc1ccc(OS(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)cc1	ZINC000746400663	673876135	/nfs/dbraw/zinc/87/61/35/673876135.db2.gz	VSJPXECHMWRJGU-UHFFFAOYSA-N	-1	3	361.770	2.159	20	30		FEEDHM
N#Cc1ccc(OS(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)cc1	ZINC000746400663	673876137	/nfs/dbraw/zinc/87/61/37/673876137.db2.gz	VSJPXECHMWRJGU-UHFFFAOYSA-N	-1	3	361.770	2.159	20	30		FEEDHM
O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]N=Cc2cc(Cl)ccc2O)cc1	ZINC000746492607	673881481	/nfs/dbraw/zinc/88/14/81/673881481.db2.gz	ZSWAWOVTXCCOBK-UHFFFAOYSA-N	-1	3	369.786	2.407	20	30		FEEDHM
CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NCC[C@@H](C)F	ZINC000818290209	675211240	/nfs/dbraw/zinc/21/12/40/675211240.db2.gz	AANDLBDULYEOIP-OCCSQVGLSA-N	-1	3	369.462	2.148	20	30		FEEDHM
CC(=O)Nc1ncc(S(=O)(=O)[N-][C@@H](C)c2ccc(C#N)cc2)s1	ZINC000567498869	675298274	/nfs/dbraw/zinc/29/82/74/675298274.db2.gz	SNIVYOIFZWAEQC-VIFPVBQESA-N	-1	3	350.425	2.013	20	30		FEEDHM
C(=NNCc1ccc(-c2nnn[n-]2)cc1)c1c[nH]nc1-c1cccs1	ZINC000819718268	675311291	/nfs/dbraw/zinc/31/12/91/675311291.db2.gz	CVKDOGPOKXYWKR-UHFFFAOYSA-N	-1	3	350.411	2.442	20	30		FEEDHM
C(=NNCc1ccc(-c2nn[n-]n2)cc1)c1c[nH]nc1-c1cccs1	ZINC000819718268	675311293	/nfs/dbraw/zinc/31/12/93/675311293.db2.gz	CVKDOGPOKXYWKR-UHFFFAOYSA-N	-1	3	350.411	2.442	20	30		FEEDHM
N#Cc1ccc(N2CCC[C@H]([N-]S(=O)(=O)c3cscn3)C2)c(F)c1	ZINC000567769354	675320544	/nfs/dbraw/zinc/32/05/44/675320544.db2.gz	AJGZXZURSKHVRN-LBPRGKRZSA-N	-1	3	366.443	2.101	20	30		FEEDHM
O=C(N[C@@H]1CCN([O-])C1=O)c1cc(-c2ccccc2C(F)(F)F)on1	ZINC000820137525	675338721	/nfs/dbraw/zinc/33/87/21/675338721.db2.gz	PBOKXPRWRGCCOU-SNVBAGLBSA-N	-1	3	355.272	2.080	20	30		FEEDHM
Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)N[C@H]1CCN([O-])C1=O	ZINC000820149055	675339365	/nfs/dbraw/zinc/33/93/65/675339365.db2.gz	LFIOVNJGTVKEDK-NSHDSACASA-N	-1	3	353.350	2.117	20	30		FEEDHM
Cc1cc(NC(=O)c2ccco2)sc1C(=O)N[C@H]1CCCN([O-])C1=O	ZINC000820482048	675365326	/nfs/dbraw/zinc/36/53/26/675365326.db2.gz	CRERAGRCBGYGKN-JTQLQIEISA-N	-1	3	363.395	2.012	20	30		FEEDHM
CCC[C@H](NC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21)C1CCCC1	ZINC000838334441	680687110	/nfs/dbraw/zinc/68/71/10/680687110.db2.gz	TYVISJPAOBDRNT-HNNXBMFYSA-N	-1	3	363.483	2.200	20	30		FEEDHM
C=C[C@@H](C)NC(=O)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1	ZINC000823883053	675575525	/nfs/dbraw/zinc/57/55/25/675575525.db2.gz	JSMHRWGYBZKQGX-SECBINFHSA-N	-1	3	358.793	2.402	20	30		FEEDHM
COc1ccc(C=NN=c2cc[nH]c(N(C)C)n2)c(Br)c1[O-]	ZINC000761013936	680707569	/nfs/dbraw/zinc/70/75/69/680707569.db2.gz	UZTIEXMCADRVQG-UHFFFAOYSA-N	-1	3	366.219	2.465	20	30		FEEDHM
CC[C@@]1(C)NC(=O)N(N=Cc2ccc(OC)c([O-])c2Br)C1=O	ZINC000761014352	680707571	/nfs/dbraw/zinc/70/75/71/680707571.db2.gz	DXTHAEDRZFDTIU-CQSZACIVSA-N	-1	3	370.203	2.218	20	30		FEEDHM
CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)O[C@@H](C)C1CC1	ZINC000764588665	680816050	/nfs/dbraw/zinc/81/60/50/680816050.db2.gz	LIIHKFKHPYHCMT-WFASDCNBSA-N	-1	3	364.467	2.482	20	30		FEEDHM
C[C@H]1CC(=NC(=O)c2[n-]nc3ccc(I)cc32)NO1	ZINC000765368495	680840394	/nfs/dbraw/zinc/84/03/94/680840394.db2.gz	MZHKJQMMIWRXOO-LURJTMIESA-N	-1	3	370.150	2.020	20	30		FEEDHM
C=CCCOCC[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1	ZINC000830958681	679900907	/nfs/dbraw/zinc/90/09/07/679900907.db2.gz	WJANGWOTOJEAKD-UHFFFAOYSA-N	-1	3	369.668	2.369	20	30		FEEDHM
CC(=NNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1cc(F)ccc1[O-]	ZINC000748255125	679945847	/nfs/dbraw/zinc/94/58/47/679945847.db2.gz	MJGWQRXHCBGOCO-UHFFFAOYSA-N	-1	3	353.331	2.142	20	30		FEEDHM
C#CCSCC[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)OC	ZINC000751425054	680173470	/nfs/dbraw/zinc/17/34/70/680173470.db2.gz	JMILEZHXGMCRPU-UHFFFAOYSA-N	-1	3	369.489	2.333	20	30		FEEDHM
C[N-]S(=O)(=O)c1cc(C(=O)OCc2cc(C#N)ccc2F)ccc1F	ZINC000752581962	680249755	/nfs/dbraw/zinc/24/97/55/680249755.db2.gz	YCSORIXSKVWWGB-UHFFFAOYSA-N	-1	3	366.345	2.102	20	30		FEEDHM
Cc1cc(C=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)c(C)n1C	ZINC000754942274	680389524	/nfs/dbraw/zinc/38/95/24/680389524.db2.gz	NTLBKEDINNZQGO-UHFFFAOYSA-N	-1	3	350.400	2.004	20	30		FEEDHM
NS(=O)(=O)c1ccc(N=NCc2c([O-])cccc2Cl)c([N+](=O)[O-])c1	ZINC000755465958	680416071	/nfs/dbraw/zinc/41/60/71/680416071.db2.gz	VNIWDWUHRQLHPG-UHFFFAOYSA-N	-1	3	370.774	2.047	20	30		FEEDHM
C=CCO[N-]C(=O)CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1	ZINC000837043804	680546316	/nfs/dbraw/zinc/54/63/16/680546316.db2.gz	FDNBISBCQHELDK-UHFFFAOYSA-N	-1	3	366.483	2.418	20	30		FEEDHM
C#CCNC(=S)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1	ZINC000758198981	680561032	/nfs/dbraw/zinc/56/10/32/680561032.db2.gz	UCXXTZBKFOLVRK-UHFFFAOYSA-N	-1	3	351.859	2.204	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)NC2(C3CCC3)CC2)ccc1F	ZINC000844884370	681089941	/nfs/dbraw/zinc/08/99/41/681089941.db2.gz	XAKQBYVLSZPWCI-UHFFFAOYSA-N	-1	3	352.431	2.353	20	30		FEEDHM
N#CC1(CS(=O)(=O)[N-]CC(=O)Nc2ccc(F)c(F)c2)CCCCC1	ZINC000772317784	681092416	/nfs/dbraw/zinc/09/24/16/681092416.db2.gz	ALBHLEHXVNAOLR-UHFFFAOYSA-N	-1	3	371.409	2.297	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(C(C)C)[nH]n2)ccc1F	ZINC000846263521	681214299	/nfs/dbraw/zinc/21/42/99/681214299.db2.gz	WCBQBJJZOGXZPI-UHFFFAOYSA-N	-1	3	366.418	2.389	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)NCC2(C#N)CCCC2)ccc1F	ZINC000846344131	681228502	/nfs/dbraw/zinc/22/85/02/681228502.db2.gz	OOIQRAGYXINNRB-UHFFFAOYSA-N	-1	3	365.430	2.104	20	30		FEEDHM
C=C(C)CO[N-]C(=O)CCc1ccc(S(=O)(=O)N(CC)CC)cc1	ZINC000846540153	681256049	/nfs/dbraw/zinc/25/60/49/681256049.db2.gz	OAQSTGVLHSXAEG-UHFFFAOYSA-N	-1	3	354.472	2.274	20	30		FEEDHM
C=C(C)CO[N-]C(=O)Cc1ccc(S(=O)(=O)CC(F)(F)F)cc1	ZINC000846539190	681256324	/nfs/dbraw/zinc/25/63/24/681256324.db2.gz	QZOLOLPFAOCPIA-UHFFFAOYSA-N	-1	3	351.346	2.189	20	30		FEEDHM
C#C[C@H]1CCCN(C(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)C1	ZINC000847133237	681336007	/nfs/dbraw/zinc/33/60/07/681336007.db2.gz	GYYQKUTUBCMDOF-ZDUSSCGKSA-N	-1	3	365.455	2.334	20	30		FEEDHM
CCOC(=O)[C@H](CCOC(C)(C)C)/N=C\c1c([O-])c(C)ncc1CO	ZINC000776256758	681377107	/nfs/dbraw/zinc/37/71/07/681377107.db2.gz	GIFMDQSMEPKPTA-ANQVYJHKSA-N	-1	3	352.431	2.144	20	30		FEEDHM
O=C(N[C@H]1CCCN([O-])C1=O)c1cc2c(Br)cccc2cn1	ZINC000848131384	681477622	/nfs/dbraw/zinc/47/76/22/681477622.db2.gz	DZPFLNZPMANQAG-LBPRGKRZSA-N	-1	3	364.199	2.107	20	30		FEEDHM
O=C(N[C@@H]1CCCN([O-])C1=O)c1cc2c(cccc2Br)[nH]1	ZINC000848138612	681478604	/nfs/dbraw/zinc/47/86/04/681478604.db2.gz	OPKVLWKQCRVKLX-LLVKDONJSA-N	-1	3	352.188	2.040	20	30		FEEDHM
Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N[C@@H]1CCCN([O-])C1=O	ZINC000848137528	681478764	/nfs/dbraw/zinc/47/87/64/681478764.db2.gz	GLPLVQJJDYWXGB-SNVBAGLBSA-N	-1	3	353.444	2.151	20	30		FEEDHM
COC[C@@H](C)NC(=S)NN=C(C)c1cc(Br)ccc1[O-]	ZINC000916282001	685523177	/nfs/dbraw/zinc/52/31/77/685523177.db2.gz	XFZFSNLJTFETOX-MRVPVSSYSA-N	-1	3	360.277	2.378	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](CC)C(F)(F)F)ccc1F	ZINC000787385540	682454626	/nfs/dbraw/zinc/45/46/26/682454626.db2.gz	PCUIDESHGGXJRN-LBPRGKRZSA-N	-1	3	368.352	2.361	20	30		FEEDHM
C#CCCN(CCOC)C(=O)NCc1ccc([O-])c(Br)c1	ZINC000853871470	682482176	/nfs/dbraw/zinc/48/21/76/682482176.db2.gz	CPADOGCCOWPGHT-UHFFFAOYSA-N	-1	3	355.232	2.336	20	30		FEEDHM
CC(C)(C)OC(=O)C1(C(=O)N[C@@H]2CCCN([O-])C2=O)CCCCCC1	ZINC000854648836	682575151	/nfs/dbraw/zinc/57/51/51/682575151.db2.gz	KRPDJEPGWKBYLQ-CYBMUJFWSA-N	-1	3	354.447	2.165	20	30		FEEDHM
C=CCCSCCNC(=O)c1ccc(F)c(S(=O)(=O)[N-]CC=C)c1	ZINC000855384447	682664215	/nfs/dbraw/zinc/66/42/15/682664215.db2.gz	JOVMWHDSOCNXGI-UHFFFAOYSA-N	-1	3	372.487	2.329	20	30		FEEDHM
C=CCCCNC(=O)[C@H](CC(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000791147432	682724735	/nfs/dbraw/zinc/72/47/35/682724735.db2.gz	ZJQUNIWPPPQESD-HNNXBMFYSA-N	-1	3	363.483	2.222	20	30		FEEDHM
CNS(=O)(=O)c1cccc(C(=O)/C=C/c2c(F)ccc([O-])c2F)c1	ZINC000794938444	683004543	/nfs/dbraw/zinc/00/45/43/683004543.db2.gz	PMHVXUVMUOYZMK-FNORWQNLSA-N	-1	3	353.346	2.475	20	30		FEEDHM
C#CCCOC(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl	ZINC000859154833	683047508	/nfs/dbraw/zinc/04/75/08/683047508.db2.gz	KZDRRYIQMJYNCA-UHFFFAOYSA-N	-1	3	365.238	2.021	20	30		FEEDHM
C#CC[C@@H](CCOC)[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F	ZINC000859424822	683107290	/nfs/dbraw/zinc/10/72/90/683107290.db2.gz	LKXGBECAPSAYFI-JTQLQIEISA-N	-1	3	369.336	2.431	20	30		FEEDHM
C#C[C@@H](NS(=O)(=O)c1ccc([N-]S(=O)(=O)CCCC)cc1)C(C)C	ZINC000798472502	683355021	/nfs/dbraw/zinc/35/50/21/683355021.db2.gz	MMYXYKHJVGRETG-MRXNPFEDSA-N	-1	3	372.512	2.165	20	30		FEEDHM
C#CCC[C@H](O)C[N-]S(=O)(=O)c1cccc(Cl)c1Br	ZINC000798485915	683357656	/nfs/dbraw/zinc/35/76/56/683357656.db2.gz	LWCLKTDKPIAWKP-VIFPVBQESA-N	-1	3	366.664	2.155	20	30		FEEDHM
CC(=NNCCCN1CCOCC1)c1cc(Br)c(F)cc1[O-]	ZINC000799492869	683460769	/nfs/dbraw/zinc/46/07/69/683460769.db2.gz	YTEQILKRVJALJG-UHFFFAOYSA-N	-1	3	374.254	2.330	20	30		FEEDHM
CN(C)[C@H](CC[N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C(F)(F)F	ZINC000921635700	683527866	/nfs/dbraw/zinc/52/78/66/683527866.db2.gz	SZSCUKXIJGQSHZ-GFCCVEGCSA-N	-1	3	369.796	2.373	20	30		FEEDHM
C#CCC1(O)CCN(C(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)CC1	ZINC000922190622	683675823	/nfs/dbraw/zinc/67/58/23/683675823.db2.gz	XNDBBRQZNMMFID-UHFFFAOYSA-N	-1	3	365.455	2.481	20	30		FEEDHM
O=C1NC(=O)C2(CCC(N=Nc3nc4ccccc4[n-]c3=S)CC2)N1	ZINC000863128393	683678624	/nfs/dbraw/zinc/67/86/24/683678624.db2.gz	MROJLGMLEYMNGB-UHFFFAOYSA-N	-1	3	356.411	2.212	20	30		FEEDHM
CC(=NN[C@H]1CCCS(=O)(=O)C1)c1ccc(Br)cc1[O-]	ZINC000863135175	683680605	/nfs/dbraw/zinc/68/06/05/683680605.db2.gz	XSWKGMFPTKFVTD-NSHDSACASA-N	-1	3	361.261	2.046	20	30		FEEDHM
N#Cc1c(NCc2c([O-])ccc(Cl)c2F)[nH]nc1N1CCOCC1	ZINC000922361999	683706067	/nfs/dbraw/zinc/70/60/67/683706067.db2.gz	ICNMHECPKVCSDE-UHFFFAOYSA-N	-1	3	351.769	2.228	20	30		FEEDHM
N#Cc1c(NCc2c([O-])ccc(Cl)c2F)n[nH]c1N1CCOCC1	ZINC000922361999	683706069	/nfs/dbraw/zinc/70/60/69/683706069.db2.gz	ICNMHECPKVCSDE-UHFFFAOYSA-N	-1	3	351.769	2.228	20	30		FEEDHM
COc1ncc(Br)cc1C/N=C/c1c([O-])c(C)ncc1CO	ZINC000864346209	683840501	/nfs/dbraw/zinc/84/05/01/683840501.db2.gz	QLGGKTXCVQLKOJ-REZTVBANSA-N	-1	3	366.215	2.373	20	30		FEEDHM
CCOC(=O)[C@H](CC=C(C)C)[N-]S(=O)(=O)Cc1ccc(CC#N)cc1	ZINC000867759005	684375987	/nfs/dbraw/zinc/37/59/87/684375987.db2.gz	LYDHDCIWFBRKLD-KRWDZBQOSA-N	-1	3	364.467	2.460	20	30		FEEDHM
CC(C)[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@@H]2CCC[C@@H]2C#N)ccc1F	ZINC000870676914	684744134	/nfs/dbraw/zinc/74/41/34/684744134.db2.gz	PGSHMLGHCPFUCD-UKRRQHHQSA-N	-1	3	367.446	2.277	20	30		FEEDHM
C#CCN(C(=O)c1cccc(Br)c1[O-])C1CCN(C)CC1	ZINC000886579008	688279633	/nfs/dbraw/zinc/27/96/33/688279633.db2.gz	UJRVUERHSINKFY-UHFFFAOYSA-N	-1	3	351.244	2.324	20	30		FEEDHM
Cc1coc(COC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)c1	ZINC000893749268	689398124	/nfs/dbraw/zinc/39/81/24/689398124.db2.gz	RDRGUXCGQRHXQQ-LBPRGKRZSA-N	-1	3	362.407	2.149	20	30		FEEDHM
N#Cc1ccc(C(F)(F)F)nc1N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1	ZINC000897344982	690009257	/nfs/dbraw/zinc/00/92/57/690009257.db2.gz	ICSALHDKOYGTRI-SNVBAGLBSA-N	-1	3	350.304	2.158	20	30		FEEDHM
CNS(=O)(=O)c1ccc(CCC(=O)N([O-])Cc2ccc(F)cc2)cc1	ZINC000901375100	690641546	/nfs/dbraw/zinc/64/15/46/690641546.db2.gz	BWHNRNGRKWKJKT-UHFFFAOYSA-N	-1	3	366.414	2.084	20	30		FEEDHM
CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)N([O-])Cc1ccc(F)cc1	ZINC000904172684	691009728	/nfs/dbraw/zinc/00/97/28/691009728.db2.gz	AMXUBISAAURNOX-AWEZNQCLSA-N	-1	3	356.394	2.473	20	30		FEEDHM
C=C(Cl)C[C@@H](NC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C)C(=O)[O-]	ZINC000908859835	691742213	/nfs/dbraw/zinc/74/22/13/691742213.db2.gz	RZUKEBOYYBERNX-CABCVRRESA-N	-1	3	353.850	2.493	20	30		FEEDHM
C=CCN1CCC(NC(=O)N[C@H](C(=O)[O-])c2cc(F)ccc2F)CC1	ZINC000908946886	691757502	/nfs/dbraw/zinc/75/75/02/691757502.db2.gz	VUQGRGHZWGIEJM-HNNXBMFYSA-N	-1	3	353.369	2.040	20	30		FEEDHM
C=C(Cl)C[C@@H](NC(=O)c1ccc(N2CCN(CC)CC2)cc1)C(=O)[O-]	ZINC000910266700	691908809	/nfs/dbraw/zinc/90/88/09/691908809.db2.gz	NSHMVFDEVHCKLW-MRXNPFEDSA-N	-1	3	365.861	2.154	20	30		FEEDHM
Cc1cc(NC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)nn1CCC#N	ZINC000503674059	888538410	/nfs/dbraw/zinc/53/84/10/888538410.db2.gz	WJBJKMZAIDJTMJ-UHFFFAOYSA-N	-1	3	357.320	2.477	20	30		FEEDHM
C=C(C)CN1CCC(NC(=O)N[C@@H](C(=O)[O-])c2ccc3c(c2)CCO3)CC1	ZINC000908945281	939360484	/nfs/dbraw/zinc/36/04/84/939360484.db2.gz	FAHKLNNICRIJLW-GOSISDBHSA-N	-1	3	373.453	2.087	20	30		FEEDHM
Cc1ncc(CO)c(/C=N/C[C@H](C)N2CCN(c3ccccc3)CC2)c1[O-]	ZINC000031643262	539914216	/nfs/dbraw/zinc/91/42/16/539914216.db2.gz	MDSINNHGVGHODJ-SITPEIFSSA-N	-1	3	368.481	2.218	20	30		FEEDHM
Cc1csc(C(C#N)=C([O-])c2ccc3c(c2)CCN3S(C)(=O)=O)n1	ZINC000041518904	540023691	/nfs/dbraw/zinc/02/36/91/540023691.db2.gz	GURIQELKUPYMOF-CYBMUJFWSA-N	-1	3	361.448	2.264	20	30		FEEDHM
O=C(N=C1[N-]C(=O)CN1)[C@@H]1CC(=O)N(c2ccc3c(c2)Cc2ccccc2-3)C1	ZINC000054100869	540568838	/nfs/dbraw/zinc/56/88/38/540568838.db2.gz	KQUYWMYHNKUAPK-CQSZACIVSA-N	-1	3	374.400	2.053	20	30		FEEDHM
N#CCc1cccc(C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2[O-])c1	ZINC000056973102	540759415	/nfs/dbraw/zinc/75/94/15/540759415.db2.gz	SQYDSWKVTXCJIC-UHFFFAOYSA-N	-1	3	371.418	2.250	20	30		FEEDHM
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Cc1c(C)nc(C)[n-]c1=O	ZINC000068792503	541629052	/nfs/dbraw/zinc/62/90/52/541629052.db2.gz	AKPPJVUKROZEMG-UHFFFAOYSA-N	-1	3	356.382	2.052	20	30		FEEDHM
COC(=O)c1c(C)nc(=O)[n-]c1SCc1cn2ccccc2c1C#N	ZINC000073310592	541942962	/nfs/dbraw/zinc/94/29/62/541942962.db2.gz	WARFJLKVCVAVNA-UHFFFAOYSA-N	-1	3	354.391	2.282	20	30		FEEDHM
CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C3(C#N)CCOCC3)c2)n1	ZINC000109140308	543315688	/nfs/dbraw/zinc/31/56/88/543315688.db2.gz	IQIRYFVTDIDMOS-UHFFFAOYSA-N	-1	3	352.394	2.258	20	30		FEEDHM
N#CCCCCS(=O)(=O)[N-][C@@H]1CCN(c2ccccc2Cl)C1=O	ZINC000111348015	543398302	/nfs/dbraw/zinc/39/83/02/543398302.db2.gz	MBEIHGIVMGFGFB-CYBMUJFWSA-N	-1	3	355.847	2.059	20	30		FEEDHM
C=CC[C@@H](C)NC(=O)[C@H](CCSC)[N-]S(=O)(=O)c1ccccc1F	ZINC000116858481	543618145	/nfs/dbraw/zinc/61/81/45/543618145.db2.gz	MOGPZHMXOUDKEH-OCCSQVGLSA-N	-1	3	374.503	2.307	20	30		FEEDHM
CC#CCNC(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1	ZINC000121249418	543691783	/nfs/dbraw/zinc/69/17/83/543691783.db2.gz	FCTFQFVFMGBLSJ-UHFFFAOYSA-N	-1	3	354.478	2.041	20	30		FEEDHM
CC#CCNC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl	ZINC000126641712	543948260	/nfs/dbraw/zinc/94/82/60/543948260.db2.gz	QEYFPAQMYSGIST-UHFFFAOYSA-N	-1	3	361.250	2.187	20	30		FEEDHM
CCC1(CC)[C@H]([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C[C@H]1OC	ZINC000127003369	543967893	/nfs/dbraw/zinc/96/78/93/543967893.db2.gz	WSXYHLXYYVJIAO-HUUCEWRRSA-N	-1	3	367.427	2.338	20	30		FEEDHM
CCO[C@@H]1C[C@@H](N(C)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C1(C)C	ZINC000127864295	544018115	/nfs/dbraw/zinc/01/81/15/544018115.db2.gz	YBXWQXWDHKWVQL-IAGOWNOFSA-N	-1	3	359.470	2.458	20	30		FEEDHM
CCCOc1ccc(/C=N/C[C@@H]2CCC[C@@H]2NS(C)(=O)=O)c([O-])c1	ZINC000129370914	544108409	/nfs/dbraw/zinc/10/84/09/544108409.db2.gz	IPVRNEBLJFEVPW-LFGMUVATSA-N	-1	3	354.472	2.318	20	30		FEEDHM
COc1ccc(S(=O)(=O)[N-][C@@]2(C#N)CCC[C@@H](C)C2)c([N+](=O)[O-])c1	ZINC000130479125	544152555	/nfs/dbraw/zinc/15/25/55/544152555.db2.gz	ATIUNVNRQWABBO-ABAIWWIYSA-N	-1	3	353.400	2.354	20	30		FEEDHM
N#Cc1ccc(N2CCC[C@@H]([N-]S(=O)(=O)c3ccccn3)C2)c(F)c1	ZINC000131888171	544210904	/nfs/dbraw/zinc/21/09/04/544210904.db2.gz	FYXHHBABDMIQHG-CQSZACIVSA-N	-1	3	360.414	2.040	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]CCNC(=O)CC2CCCCC2)c(F)c1	ZINC000151129881	544507985	/nfs/dbraw/zinc/50/79/85/544507985.db2.gz	OUOSGFHGKNTZSF-UHFFFAOYSA-N	-1	3	367.446	2.062	20	30		FEEDHM
CC(C)NC(=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2F)C1	ZINC000151199915	544516642	/nfs/dbraw/zinc/51/66/42/544516642.db2.gz	NUYSTQATFKXABM-KBPBESRZSA-N	-1	3	367.446	2.059	20	30		FEEDHM
C=C[C@@H](C)[N-]S(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2	ZINC000152728538	544689146	/nfs/dbraw/zinc/68/91/46/544689146.db2.gz	RDDJOHOQUVLRSJ-MRVPVSSYSA-N	-1	3	359.245	2.187	20	30		FEEDHM
COc1cccc(COCC[N-]S(=O)(=O)c2ccc(C#N)cc2F)c1	ZINC000154694250	544937839	/nfs/dbraw/zinc/93/78/39/544937839.db2.gz	CZHCLWLCEBDGLB-UHFFFAOYSA-N	-1	3	364.398	2.201	20	30		FEEDHM
Cc1ccccc1C[C@H](CO)[N-]S(=O)(=O)c1cccc(Cl)c1C#N	ZINC000188280768	328077717	/nfs/dbraw/zinc/07/77/17/328077717.db2.gz	JIPGEAAWTYRMLB-CQSZACIVSA-N	-1	3	364.854	2.402	20	30		FEEDHM
N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C[C@@H](CO)c1ccccc1	ZINC000125441928	326471761	/nfs/dbraw/zinc/47/17/61/326471761.db2.gz	VBHYZMRLDHZHCJ-ZDUSSCGKSA-N	-1	3	350.827	2.266	20	30		FEEDHM
Cn1c(C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)nnc1C1CCC1	ZINC000125797853	326478112	/nfs/dbraw/zinc/47/81/12/326478112.db2.gz	HWXBECIEVNZXBR-UHFFFAOYSA-N	-1	3	365.846	2.086	20	30		FEEDHM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1[C@@H]2CCc3ccccc3[C@@H]21	ZINC000128344519	326522223	/nfs/dbraw/zinc/52/22/23/326522223.db2.gz	AXAWRTGHTLKWEM-JEBQAFNWSA-N	-1	3	369.402	2.473	20	30		FEEDHM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]Cc1cc(C#N)ccc1F	ZINC000173743324	327280631	/nfs/dbraw/zinc/28/06/31/327280631.db2.gz	YXUDFJSICFCSCN-UHFFFAOYSA-N	-1	3	365.342	2.093	20	30		FEEDHM
CCOC(=O)Nc1ccc([N-]S(=O)(=O)CCOC(C)C)cc1C#N	ZINC000269703850	329541819	/nfs/dbraw/zinc/54/18/19/329541819.db2.gz	NSIJGEZQEHZRKW-UHFFFAOYSA-N	-1	3	355.416	2.293	20	30		FEEDHM
CC(C)(O)C(C)(C)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000272112846	329752987	/nfs/dbraw/zinc/75/29/87/329752987.db2.gz	ZCRWOGCRCOGGQP-UHFFFAOYSA-N	-1	3	350.362	2.405	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H](O)CCc1ccccc1	ZINC000273117711	329838453	/nfs/dbraw/zinc/83/84/53/329838453.db2.gz	CAEDNFFOLGIRIH-QGZVFWFLSA-N	-1	3	367.449	2.318	20	30		FEEDHM
CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CC[C@H]1C	ZINC000804855580	674303887	/nfs/dbraw/zinc/30/38/87/674303887.db2.gz	RYASJMBOGMGLSH-YUELXQCFSA-N	-1	3	363.483	2.055	20	30		FEEDHM
C[C@H](OC(=O)c1cnn[n-]1)C(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC000805602881	674347068	/nfs/dbraw/zinc/34/70/68/674347068.db2.gz	DEUPNCHNZMBEBB-VIFPVBQESA-N	-1	3	359.411	2.191	20	30		FEEDHM
C[C@H](OC(=O)c1c[n-]nn1)C(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC000805602881	674347070	/nfs/dbraw/zinc/34/70/70/674347070.db2.gz	DEUPNCHNZMBEBB-VIFPVBQESA-N	-1	3	359.411	2.191	20	30		FEEDHM
CC1(C(=O)[N-]S(=O)(=O)CCCC#N)CCN(Cc2ccccc2)CC1	ZINC000805910166	674359686	/nfs/dbraw/zinc/35/96/86/674359686.db2.gz	NADBMHYCBMHAIT-UHFFFAOYSA-N	-1	3	363.483	2.038	20	30		FEEDHM
O=S(=O)(NN=Cc1cc(Br)ccc1[O-])c1ccccc1	ZINC000254500955	527234882	/nfs/dbraw/zinc/23/48/82/527234882.db2.gz	OEMCLQLAWYKPRK-UHFFFAOYSA-N	-1	3	355.213	2.467	20	30		FEEDHM
CC(C)(C)[C@H]([N-]S(C)(=O)=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1	ZINC000156585257	545637261	/nfs/dbraw/zinc/63/72/61/545637261.db2.gz	OYFKEPZCGSKQFY-CQSZACIVSA-N	-1	3	351.472	2.390	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@H](C)Oc2ncccc21	ZINC000158593400	545874491	/nfs/dbraw/zinc/87/44/91/545874491.db2.gz	HXJGOILGIKGPQJ-NSHDSACASA-N	-1	3	352.394	2.005	20	30		FEEDHM
C=CCCOCC[N-]S(=O)(=O)c1ccc(F)cc1Br	ZINC000163378192	546144849	/nfs/dbraw/zinc/14/48/49/546144849.db2.gz	LKKBYYUUFWTODF-UHFFFAOYSA-N	-1	3	352.225	2.459	20	30		FEEDHM
CC(C)(C)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CCO1	ZINC000479404166	561189055	/nfs/dbraw/zinc/18/90/55/561189055.db2.gz	DLKWQHYKBDEWNA-NHYWBVRUSA-N	-1	3	367.427	2.338	20	30		FEEDHM
N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NCc1ncccc1[O-]	ZINC000480749729	561215901	/nfs/dbraw/zinc/21/59/01/561215901.db2.gz	LAXMVTNOEYKWSL-UHFFFAOYSA-N	-1	3	357.313	2.156	20	30		FEEDHM
C[C@@](CO)(C[N-]S(=O)(=O)c1ccc(F)cc1C#N)Cc1ccccc1	ZINC000480868028	561218842	/nfs/dbraw/zinc/21/88/42/561218842.db2.gz	DGJYSKBTRWNCJG-SFHVURJKSA-N	-1	3	362.426	2.217	20	30		FEEDHM
COc1ccc(S(=O)(=O)[N-]CCOc2ccc(C#N)cc2)c(F)c1	ZINC000481068117	561224399	/nfs/dbraw/zinc/22/43/99/561224399.db2.gz	HBGITPLWXAJKHX-UHFFFAOYSA-N	-1	3	350.371	2.063	20	30		FEEDHM
N#Cc1ccc(CN2CCC([N-]S(=O)(=O)c3cccs3)CC2)o1	ZINC000179872165	547023010	/nfs/dbraw/zinc/02/30/10/547023010.db2.gz	YJRUJSCQBDNYIJ-UHFFFAOYSA-N	-1	3	351.453	2.156	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)[C@@H](O)Cc1ccccc1	ZINC000180188229	547065652	/nfs/dbraw/zinc/06/56/52/547065652.db2.gz	GXAXVUSOLXCIRE-LRDDRELGSA-N	-1	3	364.854	2.482	20	30		FEEDHM
CC(C)CC(=O)NCCc1ccc(S(=O)(=O)[N-][C@@H](C)CC#N)s1	ZINC000180361600	547091829	/nfs/dbraw/zinc/09/18/29/547091829.db2.gz	UIZASFHGFBJTBB-LBPRGKRZSA-N	-1	3	357.501	2.033	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N(CC)CC(F)F)ccc1F	ZINC000182466343	547497536	/nfs/dbraw/zinc/49/75/36/547497536.db2.gz	MYULGMZLAOADTP-UHFFFAOYSA-N	-1	3	350.362	2.017	20	30		FEEDHM
C[C@@H](CC[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)N1CCCCC1	ZINC000183293247	547634342	/nfs/dbraw/zinc/63/43/42/547634342.db2.gz	OQYDVIBZOFDLCN-LBPRGKRZSA-N	-1	3	357.426	2.379	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C(=O)N1CCCC[C@H]1C	ZINC000183632598	547692042	/nfs/dbraw/zinc/69/20/42/547692042.db2.gz	GNBAQDIJNVELQJ-NEPJUHHUSA-N	-1	3	369.874	2.279	20	30		FEEDHM
CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc([N+](=O)[O-])cc1[O-]	ZINC000184748600	547873936	/nfs/dbraw/zinc/87/39/36/547873936.db2.gz	QJLBEPRCLYEGKP-UHFFFAOYSA-N	-1	3	368.393	2.376	20	30		FEEDHM
C=CCN(CC1CCCCC1)C(=O)c1ccc(S(=O)(=O)[N-]C)nc1	ZINC000185618810	548010015	/nfs/dbraw/zinc/01/00/15/548010015.db2.gz	PGUDXGLWZDPHOV-UHFFFAOYSA-N	-1	3	351.472	2.198	20	30		FEEDHM
N#Cc1ccncc1C(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1	ZINC000485538706	561321719	/nfs/dbraw/zinc/32/17/19/561321719.db2.gz	KMRBEICSSSLUDN-UHFFFAOYSA-N	-1	3	350.378	2.150	20	30		FEEDHM
N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CCCOCC(F)(F)F)c1	ZINC000186263379	548108586	/nfs/dbraw/zinc/10/85/86/548108586.db2.gz	RORFJEXPYNYGIA-UHFFFAOYSA-N	-1	3	356.753	2.459	20	30		FEEDHM
Cc1ncc(CNC(=O)Nc2ccc(C#N)c(Br)c2)c(=O)[n-]1	ZINC000487972708	561380396	/nfs/dbraw/zinc/38/03/96/561380396.db2.gz	ZDUHWZGFYGGMJF-UHFFFAOYSA-N	-1	3	362.187	2.447	20	30		FEEDHM
C=CCCCS(=O)(=O)[N-][C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O	ZINC000489696849	561417246	/nfs/dbraw/zinc/41/72/46/561417246.db2.gz	HCHBCIMOPCXYLH-AWEZNQCLSA-N	-1	3	360.838	2.470	20	30		FEEDHM
CCOC(=O)C(CC)(CC)[N-]S(=O)(=O)Cc1cc(C#N)ccc1F	ZINC000490532331	561434652	/nfs/dbraw/zinc/43/46/52/561434652.db2.gz	XQAPRDBBFQMZSC-UHFFFAOYSA-N	-1	3	356.419	2.239	20	30		FEEDHM
Cn1cc(CCC[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)cn1	ZINC000263728304	549927321	/nfs/dbraw/zinc/92/73/21/549927321.db2.gz	LCPSULVDEVZTRD-UHFFFAOYSA-N	-1	3	372.372	2.222	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)NCCCC(F)(F)F)ccc1F	ZINC000266476290	550021078	/nfs/dbraw/zinc/02/10/78/550021078.db2.gz	CQXWRQHEEANHLC-UHFFFAOYSA-N	-1	3	368.352	2.362	20	30		FEEDHM
CS(=O)(=O)[N-]c1cc(C(=O)N[C@H](C#N)C2CCCCC2)ccc1F	ZINC000267223484	550028758	/nfs/dbraw/zinc/02/87/58/550028758.db2.gz	HWHXIGVDQRFYII-OAHLLOKOSA-N	-1	3	353.419	2.399	20	30		FEEDHM
COC(=O)[C@@H](CC1CCCCC1)[N-]S(=O)(=O)c1ccc(F)cc1C#N	ZINC000494311472	561467041	/nfs/dbraw/zinc/46/70/41/561467041.db2.gz	MAGWPTWHIQOSIG-OAHLLOKOSA-N	-1	3	368.430	2.488	20	30		FEEDHM
CN(C)C(=O)COc1ccc(C(F)(F)C(=O)[N-][C@@H](C#N)C(C)(C)C)cc1	ZINC000274650385	550547608	/nfs/dbraw/zinc/54/76/08/550547608.db2.gz	LGOOIRPJZBDZRR-AWEZNQCLSA-N	-1	3	367.396	2.300	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-][C@@H]1CCO[C@H]1c1ccc(Cl)cc1	ZINC000277188212	550641558	/nfs/dbraw/zinc/64/15/58/550641558.db2.gz	OJKLOIHOQVTFTN-CJNGLKHVSA-N	-1	3	363.826	2.415	20	30		FEEDHM
C#Cc1cccc(NC(=O)N2CCC(c3nnc(C(=O)OCC)[n-]3)CC2)c1	ZINC000277778467	550712947	/nfs/dbraw/zinc/71/29/47/550712947.db2.gz	MAKXLHIPMHJNBY-UHFFFAOYSA-N	-1	3	367.409	2.374	20	30		FEEDHM
C#Cc1cccc(NC(=O)N2CCC(c3n[n-]c(C(=O)OCC)n3)CC2)c1	ZINC000277778467	550712948	/nfs/dbraw/zinc/71/29/48/550712948.db2.gz	MAKXLHIPMHJNBY-UHFFFAOYSA-N	-1	3	367.409	2.374	20	30		FEEDHM
C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cncc(Br)c1	ZINC000280489850	550999904	/nfs/dbraw/zinc/99/99/04/550999904.db2.gz	AZZBUUKAMNABNF-ZWNOBZJWSA-N	-1	3	361.261	2.104	20	30		FEEDHM
C=C(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)OC	ZINC000280734116	551026303	/nfs/dbraw/zinc/02/63/03/551026303.db2.gz	KFRRCDZBDODXGM-ABAIWWIYSA-N	-1	3	373.858	2.386	20	30		FEEDHM
Cc1ncc(CO)c(/C=N/CCCCn2cc(Br)cn2)c1[O-]	ZINC000280848993	551038577	/nfs/dbraw/zinc/03/85/77/551038577.db2.gz	BKOIHQAHVZHOKU-CAOOACKPSA-N	-1	3	367.247	2.446	20	30		FEEDHM
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cccc([O-])c1[N+](=O)[O-]	ZINC000280966192	551050225	/nfs/dbraw/zinc/05/02/25/551050225.db2.gz	NWXZHPGWOJHVNV-UHFFFAOYSA-N	-1	3	368.393	2.376	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccn(C(C)C)n2)ccc1F	ZINC000281234575	551076384	/nfs/dbraw/zinc/07/63/84/551076384.db2.gz	PNUMCSAVKLQLDM-UHFFFAOYSA-N	-1	3	366.418	2.320	20	30		FEEDHM
CSC[C@](C)(C#N)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21	ZINC000285240521	551725222	/nfs/dbraw/zinc/72/52/22/551725222.db2.gz	ZLGPYVRVUJGDIS-AWEZNQCLSA-N	-1	3	366.424	2.067	20	30		FEEDHM
CC1CCN(c2ccc(C[N-]S(=O)(=O)c3ccc(C#N)o3)cn2)CC1	ZINC000286577063	551901790	/nfs/dbraw/zinc/90/17/90/551901790.db2.gz	JMTJMJHYWUGNPG-UHFFFAOYSA-N	-1	3	360.439	2.261	20	30		FEEDHM
O=C(CNC(=O)c1c(F)cc(C(F)(F)F)cc1F)[N-]CC(F)(F)F	ZINC000289981446	552409327	/nfs/dbraw/zinc/40/93/27/552409327.db2.gz	WUYXSDWNYNGHNS-UHFFFAOYSA-N	-1	3	364.192	2.392	20	30		FEEDHM
C=CCn1c(CC(C)C)nnc1N1CCN(C(=O)c2ccc([O-])cc2)CC1	ZINC000290545089	552496309	/nfs/dbraw/zinc/49/63/09/552496309.db2.gz	YARSXGIGBJLUEL-UHFFFAOYSA-N	-1	3	369.469	2.331	20	30		FEEDHM
CC1(C)C[C@@]1(C#N)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1	ZINC000291006481	552575378	/nfs/dbraw/zinc/57/53/78/552575378.db2.gz	VTNHIOFHRHQCHX-LBPRGKRZSA-N	-1	3	374.216	2.328	20	30		FEEDHM
C=C[C@@](C)(CCOC)C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1	ZINC000291486041	552629595	/nfs/dbraw/zinc/62/95/95/552629595.db2.gz	SGBDSWVJZWWVLC-DOMZBBRYSA-N	-1	3	350.381	2.132	20	30		FEEDHM
N#C[C@@]1(C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)CC12CCCC2	ZINC000294746535	552931315	/nfs/dbraw/zinc/93/13/15/552931315.db2.gz	CSFITAQIAHEQGU-HXUWFJFHSA-N	-1	3	353.422	2.151	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@@]2(CCCO2)[C@@H]1C1CC1	ZINC000294753461	552931929	/nfs/dbraw/zinc/93/19/29/552931929.db2.gz	IVPVTHNEAAIYQR-ICSRJNTNSA-N	-1	3	355.438	2.378	20	30		FEEDHM
CCn1ccnc1C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N	ZINC000295416271	553002985	/nfs/dbraw/zinc/00/29/85/553002985.db2.gz	IBDMKXRBTNRNQP-UHFFFAOYSA-N	-1	3	358.345	2.272	20	30		FEEDHM
C[C@@H](CCCCO)[N-]S(=O)(=O)c1cccc(Br)c1C#N	ZINC000295760618	553055648	/nfs/dbraw/zinc/05/56/48/553055648.db2.gz	PAYIRKPEFWLEEA-JTQLQIEISA-N	-1	3	361.261	2.150	20	30		FEEDHM
C=CCN(C)C(=O)C(=O)N(CC)Cc1cc(Br)ccc1[O-]	ZINC000297722016	553330026	/nfs/dbraw/zinc/33/00/26/553330026.db2.gz	FWEYPMITQPIJDP-UHFFFAOYSA-N	-1	3	355.232	2.148	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)NC(C)(C)C(F)(F)F)ccc1F	ZINC000297878216	553351514	/nfs/dbraw/zinc/35/15/14/553351514.db2.gz	PMAGMNDLNOMPEG-UHFFFAOYSA-N	-1	3	368.352	2.361	20	30		FEEDHM
C=CCN(CC(F)(F)F)C(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1	ZINC000299688751	553601843	/nfs/dbraw/zinc/60/18/43/553601843.db2.gz	VDCFAGGBAGDFFC-UHFFFAOYSA-N	-1	3	354.325	2.388	20	30		FEEDHM
C=CCC[C@@H](CO)[N-]S(=O)(=O)c1cc(C)c(Br)s1	ZINC000315868533	553761179	/nfs/dbraw/zinc/76/11/79/553761179.db2.gz	JAPOMIFDJYLDRX-VIFPVBQESA-N	-1	3	354.291	2.424	20	30		FEEDHM
C[C@@]1(C[C@H]2CCCN2C(=O)NCC2(C)CCOCC2)NC(=O)[N-]C1=O	ZINC000329300625	553920928	/nfs/dbraw/zinc/92/09/28/553920928.db2.gz	VRXLWVZHGMZOKI-PXAZEXFGSA-N	-1	3	352.435	2.214	20	30		FEEDHM
CO[C@](C)(C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1[O-])C1CC1	ZINC000329728609	553996678	/nfs/dbraw/zinc/99/66/78/553996678.db2.gz	HHKSMIWQQUJORH-INIZCTEOSA-N	-1	3	354.428	2.335	20	30		FEEDHM
CC(=O)N1CCC(CNC(=O)c2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)CC1	ZINC000330272385	554097332	/nfs/dbraw/zinc/09/73/32/554097332.db2.gz	XODCQGJGHCSNFV-LJQANCHMSA-N	-1	3	372.425	2.349	20	30		FEEDHM
CN(C)c1nc(C(=O)NC2CCC(C(=O)OC(C)(C)C)CC2)cc(=O)[n-]1	ZINC000330449828	554123381	/nfs/dbraw/zinc/12/33/81/554123381.db2.gz	ZRTUVXWIOJNYSI-UHFFFAOYSA-N	-1	3	364.446	2.453	20	30		FEEDHM
CNc1ccc(C#N)cc1[N-]S(=O)(=O)C[C@@H](C(=O)OC)c1ccccc1	ZINC000507981541	561747946	/nfs/dbraw/zinc/74/79/46/561747946.db2.gz	CAFOPAVXQBUQAT-OAHLLOKOSA-N	-1	3	373.434	2.298	20	30		FEEDHM
C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCCO[C@@H]2C(C)(C)C)cn1	ZINC000330992840	554198603	/nfs/dbraw/zinc/19/86/03/554198603.db2.gz	HMUJVERSZMEEIN-WFASDCNBSA-N	-1	3	369.487	2.136	20	30		FEEDHM
Cn1ncc2c1CCC[C@H]2[N-]S(=O)(=O)c1cccc(Cl)c1C#N	ZINC000331911217	554345330	/nfs/dbraw/zinc/34/53/30/554345330.db2.gz	YJPUZQKKEIMCEF-CYBMUJFWSA-N	-1	3	350.831	2.301	20	30		FEEDHM
COC(=O)c1ccc(S(=O)(=O)[N-]Cc2cccc(C#N)c2)c(Cl)c1	ZINC000509759225	561813072	/nfs/dbraw/zinc/81/30/72/561813072.db2.gz	DEYOWALUEIBTKK-UHFFFAOYSA-N	-1	3	364.810	2.477	20	30		FEEDHM
C=CCn1cccc1-c1nc(-c2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)no1	ZINC000350105918	554760495	/nfs/dbraw/zinc/76/04/95/554760495.db2.gz	DLXDLPRTAYTLMP-IBGZPJMESA-N	-1	3	363.377	2.446	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(-c2nc([C@H]3CCCOC3)no2)ccc1F	ZINC000350845111	554817554	/nfs/dbraw/zinc/81/75/54/554817554.db2.gz	FZJCYNWVCJARBO-LBPRGKRZSA-N	-1	3	367.402	2.234	20	30		FEEDHM
CCn1ccc(Cc2noc(CCc3c(C)[n-]c(=O)c(C#N)c3C)n2)n1	ZINC000351462936	554855282	/nfs/dbraw/zinc/85/52/82/554855282.db2.gz	GDPPUQYKGSZBNZ-UHFFFAOYSA-N	-1	3	352.398	2.251	20	30		FEEDHM
Cn1cc(C#N)c(=NC(=O)NC[C@]2(C)CCCN2Cc2ccccc2)[n-]1	ZINC000614688583	555097132	/nfs/dbraw/zinc/09/71/32/555097132.db2.gz	MJNKYEDSBDMOON-IBGZPJMESA-N	-1	3	352.442	2.468	20	30		FEEDHM
CCc1ccc(C(=O)N2CCC(Nc3ccc(C#N)cn3)CC2)c([O-])c1	ZINC000364275769	555283300	/nfs/dbraw/zinc/28/33/00/555283300.db2.gz	YSCWFRXQDMYZAQ-UHFFFAOYSA-N	-1	3	350.422	2.938	20	30		FEEDHM
C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N1CCCC12CCCC2	ZINC000365559958	555608925	/nfs/dbraw/zinc/60/89/25/555608925.db2.gz	LHDRMDPKLFMORI-ZDUSSCGKSA-N	-1	3	361.467	2.049	20	30		FEEDHM
C[C@]1(c2ccc(CNc3ccc([N+](=O)[O-])cc3C#N)cc2)NC(=O)[N-]C1=O	ZINC000514222758	561964550	/nfs/dbraw/zinc/96/45/50/561964550.db2.gz	RBMRXUWWRBEOQB-GOSISDBHSA-N	-1	3	365.349	2.133	20	30		FEEDHM
C=CCCCCNC(=O)N1CCC[C@@H](c2n[nH]cc2[N-]S(C)(=O)=O)C1	ZINC000368412390	556300962	/nfs/dbraw/zinc/30/09/62/556300962.db2.gz	OTWCESZGHNZOKI-CYBMUJFWSA-N	-1	3	369.491	2.027	20	30		FEEDHM
C=CCCCCNC(=O)N1CCC[C@@H](c2[nH]ncc2[N-]S(C)(=O)=O)C1	ZINC000368412390	556300965	/nfs/dbraw/zinc/30/09/65/556300965.db2.gz	OTWCESZGHNZOKI-CYBMUJFWSA-N	-1	3	369.491	2.027	20	30		FEEDHM
C=CCCCCNC(=O)N1CCC[C@H](c2n[nH]cc2[N-]S(C)(=O)=O)C1	ZINC000368412392	556301345	/nfs/dbraw/zinc/30/13/45/556301345.db2.gz	OTWCESZGHNZOKI-ZDUSSCGKSA-N	-1	3	369.491	2.027	20	30		FEEDHM
C=CCCCCNC(=O)N1CCC[C@H](c2[nH]ncc2[N-]S(C)(=O)=O)C1	ZINC000368412392	556301348	/nfs/dbraw/zinc/30/13/48/556301348.db2.gz	OTWCESZGHNZOKI-ZDUSSCGKSA-N	-1	3	369.491	2.027	20	30		FEEDHM
C[C@H](C1CC1)n1[n-]cc/c1=N\C(=O)CN1CCC[C@@]2(CCCCO2)[C@H]1C#N	ZINC000369304571	556569255	/nfs/dbraw/zinc/56/92/55/556569255.db2.gz	CYVNJXCYHQKAFI-VPHVSXEVSA-N	-1	3	371.485	2.142	20	30		FEEDHM
CCOCc1nc([C@@H](C)[N-]S(=O)(=O)CC2(C#N)CCCCC2)no1	ZINC000519619484	562137322	/nfs/dbraw/zinc/13/73/22/562137322.db2.gz	ZISGMGZUKCCSIU-GFCCVEGCSA-N	-1	3	356.448	2.061	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)s1)c1cn(-c2ccccc2)nn1	ZINC000373742182	557749390	/nfs/dbraw/zinc/74/93/90/557749390.db2.gz	DGWQMAMUXJNWIQ-LLVKDONJSA-N	-1	3	359.436	2.240	20	30		FEEDHM
CC(C)(C)c1csc(NC(=O)C(=O)NCc2ncccc2[O-])c1C#N	ZINC000520850596	562165093	/nfs/dbraw/zinc/16/50/93/562165093.db2.gz	FPZFWBBATNJILB-UHFFFAOYSA-N	-1	3	358.423	2.273	20	30		FEEDHM
CCN(C[C@@H](C)C#N)S(=O)(=O)[N-]Cc1ncc(-c2ccc(C)cc2)o1	ZINC000374417149	557881303	/nfs/dbraw/zinc/88/13/03/557881303.db2.gz	VCDSICHUOPMQIQ-AWEZNQCLSA-N	-1	3	362.455	2.466	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-]Cc1ccccc1-c1ccncc1	ZINC000375439521	558027301	/nfs/dbraw/zinc/02/73/01/558027301.db2.gz	VWSHBYYINRQADF-UHFFFAOYSA-N	-1	3	350.403	2.494	20	30		FEEDHM
Cc1nn(C)c2c1N(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)CCS2	ZINC000375903583	558096613	/nfs/dbraw/zinc/09/66/13/558096613.db2.gz	IFWMAJUMKVZPGC-UHFFFAOYSA-N	-1	3	371.466	2.389	20	30		FEEDHM
N#Cc1cccc(NC(=O)N2CC(S(=O)(=O)[N-]c3ccccc3)C2)c1	ZINC000378585640	558589256	/nfs/dbraw/zinc/58/92/56/558589256.db2.gz	WVKVZIOJDHSFRQ-UHFFFAOYSA-N	-1	3	356.407	2.216	20	30		FEEDHM
CC(C)(C)c1cc([N-]C(=O)c2ccnc(S(C)(=O)=O)n2)c(C#N)s1	ZINC000410618049	558788967	/nfs/dbraw/zinc/78/89/67/558788967.db2.gz	MNQVXICXVSTXGP-UHFFFAOYSA-N	-1	3	364.452	2.363	20	30		FEEDHM
CC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)c1c(C)nn(C)c1C	ZINC000525701260	562252856	/nfs/dbraw/zinc/25/28/56/562252856.db2.gz	JMZJCMCUXWXUMM-CQSZACIVSA-N	-1	3	350.419	2.477	20	30		FEEDHM
Cc1cc(N2CCN(C(=O)c3ccc([O-])cc3)CC2)c(C#N)cc1[N+](=O)[O-]	ZINC000413043927	559072109	/nfs/dbraw/zinc/07/21/09/559072109.db2.gz	CULCOFCJLQLOFB-UHFFFAOYSA-N	-1	3	366.377	2.443	20	30		FEEDHM
N#Cc1ccc(Br)cc1S(=O)(=O)[N-]C[C@H]1CCSC1	ZINC000416477927	559316175	/nfs/dbraw/zinc/31/61/75/559316175.db2.gz	XFFARZTUQWSYHI-SECBINFHSA-N	-1	3	361.286	2.352	20	30		FEEDHM
COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]CC(C)(C)CC#N)c1OC	ZINC000416529213	559319967	/nfs/dbraw/zinc/31/99/67/559319967.db2.gz	JOZMCUCCJVDJAR-UHFFFAOYSA-N	-1	3	374.846	2.353	20	30		FEEDHM
COC1([C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)CCOCC1	ZINC000420766453	559503171	/nfs/dbraw/zinc/50/31/71/559503171.db2.gz	SHGBQMPUWRAZIZ-LLVKDONJSA-N	-1	3	358.847	2.074	20	30		FEEDHM
COC1([C@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)CCOCC1	ZINC000420766455	559503285	/nfs/dbraw/zinc/50/32/85/559503285.db2.gz	SHGBQMPUWRAZIZ-NSHDSACASA-N	-1	3	358.847	2.074	20	30		FEEDHM
Cc1ccc2c(CC[N-]S(=O)(=O)c3cccnc3C#N)cn(C)c2c1	ZINC000428371786	559774188	/nfs/dbraw/zinc/77/41/88/559774188.db2.gz	YGEAURRANZCLPQ-UHFFFAOYSA-N	-1	3	354.435	2.274	20	30		FEEDHM
CCC[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1C#N)C(=O)OCC	ZINC000433471130	559882392	/nfs/dbraw/zinc/88/23/92/559882392.db2.gz	MTWBDFFBHRCNDB-LLVKDONJSA-N	-1	3	358.847	2.469	20	30		FEEDHM
CCOC(=O)[C@@H](CCOC(C)(C)C)[N-]S(=O)(=O)c1ccc(C#N)s1	ZINC000435428394	559922618	/nfs/dbraw/zinc/92/26/18/559922618.db2.gz	QORVSGKZDVDHQJ-GFCCVEGCSA-N	-1	3	374.484	2.035	20	30		FEEDHM
COc1ccc(COCC[N-]S(=O)(=O)c2ccc(C#N)s2)cc1	ZINC000435440649	559923169	/nfs/dbraw/zinc/92/31/69/559923169.db2.gz	YNGVUJVKXGTGNI-UHFFFAOYSA-N	-1	3	352.437	2.123	20	30		FEEDHM
C=C(C)COCCNC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-]	ZINC000436974749	559958162	/nfs/dbraw/zinc/95/81/62/559958162.db2.gz	BHNUSMNQTMFWCP-UHFFFAOYSA-N	-1	3	359.382	2.263	20	30		FEEDHM
N#Cc1cccc(C#N)c1NCC[N-]S(=O)(=O)c1ccc(F)cc1F	ZINC000440677758	560016225	/nfs/dbraw/zinc/01/62/25/560016225.db2.gz	OCVRTEZIFDMONN-UHFFFAOYSA-N	-1	3	362.361	2.099	20	30		FEEDHM
N#Cc1cccc(NC(=O)C2CCN(C(=O)c3csc(=O)[n-]3)CC2)c1	ZINC000527454533	562288437	/nfs/dbraw/zinc/28/84/37/562288437.db2.gz	XZEXEJKNTXUTNY-UHFFFAOYSA-N	-1	3	356.407	2.211	20	30		FEEDHM
C=CCNC(=O)Nc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1	ZINC000444855524	560122806	/nfs/dbraw/zinc/12/28/06/560122806.db2.gz	GWIMISXJNGBGGU-UHFFFAOYSA-N	-1	3	357.326	2.255	20	30		FEEDHM
C[C@](O)(C[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(F)c1)C(F)(F)F	ZINC000447873357	560171717	/nfs/dbraw/zinc/17/17/17/560171717.db2.gz	RFAJRNOEJBKVAL-VIFPVBQESA-N	-1	3	369.258	2.436	20	30		FEEDHM
N#CCc1ccc(S(=O)(=O)[N-]CC2(CF)CCOCC2)c(Cl)c1	ZINC000451817395	560330338	/nfs/dbraw/zinc/33/03/38/560330338.db2.gz	LPSIKEIONQLWOG-UHFFFAOYSA-N	-1	3	360.838	2.451	20	30		FEEDHM
CC[C@@H](O)[C@H](CC)[N-]S(=O)(=O)c1cccc(Br)c1C#N	ZINC000451976324	560341717	/nfs/dbraw/zinc/34/17/17/560341717.db2.gz	BEHJPMQQCNMPRI-NWDGAFQWSA-N	-1	3	361.261	2.149	20	30		FEEDHM
CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@H]2CCC[C@H]2C#N)cc1OC	ZINC000461436676	560771493	/nfs/dbraw/zinc/77/14/93/560771493.db2.gz	PWUNQGIPIMAMPB-AAEUAGOBSA-N	-1	3	366.443	2.271	20	30		FEEDHM
COC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1OC)c1ccc(F)cc1	ZINC000464216181	560836246	/nfs/dbraw/zinc/83/62/46/560836246.db2.gz	UFXUMFKSPBUWBT-OAHLLOKOSA-N	-1	3	364.398	2.372	20	30		FEEDHM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1COc2ccc(F)cc21	ZINC000466512801	560888642	/nfs/dbraw/zinc/88/86/42/560888642.db2.gz	GESMASXHQOHYLK-GFCCVEGCSA-N	-1	3	363.326	2.018	20	30		FEEDHM
CC(C)[C@H](C#N)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1	ZINC000468148611	560923563	/nfs/dbraw/zinc/92/35/63/560923563.db2.gz	BZRCVVIFQWHPSL-HNNXBMFYSA-N	-1	3	364.402	2.233	20	30		FEEDHM
COc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@H](C#N)C(C)C	ZINC000468796396	560939034	/nfs/dbraw/zinc/93/90/34/560939034.db2.gz	CXVBAGHATMIKQG-SNVBAGLBSA-N	-1	3	365.224	2.423	20	30		FEEDHM
CO[C@@H](CC[N-]S(=O)(=O)c1ccc(Cl)cc1C#N)C(F)(F)F	ZINC000468877596	560941116	/nfs/dbraw/zinc/94/11/16/560941116.db2.gz	HWJUCIBKRJEVQO-NSHDSACASA-N	-1	3	356.753	2.457	20	30		FEEDHM
C[C@@H](CN1C[C@H](C)C[C@H](C)C1)[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000470611515	560985666	/nfs/dbraw/zinc/98/56/66/560985666.db2.gz	IWBQFIIPHOXDAL-XQQFMLRXSA-N	-1	3	371.453	2.481	20	30		FEEDHM
CSc1[n-]c(=O)c(C(=O)NC[C@H](c2ccccc2)N(C)C)cc1C#N	ZINC000476680012	561125924	/nfs/dbraw/zinc/12/59/24/561125924.db2.gz	DLYGRTJRXNDLIU-OAHLLOKOSA-N	-1	3	356.451	2.413	20	30		FEEDHM
CC[S@](=O)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2F)C1	ZINC000531408659	562445045	/nfs/dbraw/zinc/44/50/45/562445045.db2.gz	LIHQOXKIDNRRGX-IFMYKAFSSA-N	-1	3	358.460	2.055	20	30		FEEDHM
CCC[C@H](C#N)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)OC	ZINC000533549574	562512641	/nfs/dbraw/zinc/51/26/41/562512641.db2.gz	QHDYPTQARPZIAH-SNVBAGLBSA-N	-1	3	364.345	2.463	20	30		FEEDHM
Cc1nc(-c2nc(-c3cccc([C@]4(C)NC(=O)[N-]C4=O)c3)no2)ccc1C#N	ZINC000546365633	562636464	/nfs/dbraw/zinc/63/64/64/562636464.db2.gz	JLRLYPVBYDNKDB-IBGZPJMESA-N	-1	3	374.360	2.033	20	30		FEEDHM
C#CC[C@H](OC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1)c1ccccn1	ZINC000735375702	598856781	/nfs/dbraw/zinc/85/67/81/598856781.db2.gz	PDQPMLUZNNHVMC-GUYCJALGSA-N	-1	3	363.377	2.337	20	30		FEEDHM
COC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)N(C)Cc1cccc(C#N)c1	ZINC000736901765	598859618	/nfs/dbraw/zinc/85/96/18/598859618.db2.gz	OCRYBUHOKXONFW-QGZVFWFLSA-N	-1	3	362.393	2.084	20	30		FEEDHM
COC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N(C)Cc1cccc(C#N)c1	ZINC000736901765	598859619	/nfs/dbraw/zinc/85/96/19/598859619.db2.gz	OCRYBUHOKXONFW-QGZVFWFLSA-N	-1	3	362.393	2.084	20	30		FEEDHM
C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccc(C#N)c(C#N)c1	ZINC000736182914	598919737	/nfs/dbraw/zinc/91/97/37/598919737.db2.gz	HQAMDFKBHBEYRP-NSHDSACASA-N	-1	3	359.349	2.016	20	30		FEEDHM
C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccc(C#N)c(C#N)c1	ZINC000736182914	598919739	/nfs/dbraw/zinc/91/97/39/598919739.db2.gz	HQAMDFKBHBEYRP-NSHDSACASA-N	-1	3	359.349	2.016	20	30		FEEDHM
Cn1cc(CC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c2ccccc21	ZINC000737605549	598920247	/nfs/dbraw/zinc/92/02/47/598920247.db2.gz	VKURHSLQASGGNC-UHFFFAOYSA-N	-1	3	357.377	2.411	20	30		FEEDHM
Cn1cc(CC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c2ccccc21	ZINC000737605549	598920249	/nfs/dbraw/zinc/92/02/49/598920249.db2.gz	VKURHSLQASGGNC-UHFFFAOYSA-N	-1	3	357.377	2.411	20	30		FEEDHM
N#Cc1ccc(NC(=O)C=Cc2ccc3c(c2)OCO3)cc1-c1nnn[n-]1	ZINC000737716284	598925623	/nfs/dbraw/zinc/92/56/23/598925623.db2.gz	OPFDNHFAEVRNET-KXFIGUGUSA-N	-1	3	360.333	2.119	20	30		FEEDHM
N#Cc1ccc(NC(=O)C=Cc2ccc3c(c2)OCO3)cc1-c1nn[n-]n1	ZINC000737716284	598925624	/nfs/dbraw/zinc/92/56/24/598925624.db2.gz	OPFDNHFAEVRNET-KXFIGUGUSA-N	-1	3	360.333	2.119	20	30		FEEDHM
N#Cc1cc(NC(=O)c2ccn(-c3ccccc3F)n2)ccc1-c1nnn[n-]1	ZINC000737708839	598928481	/nfs/dbraw/zinc/92/84/81/598928481.db2.gz	JGMYFDAFPNPLRC-UHFFFAOYSA-N	-1	3	374.339	2.315	20	30		FEEDHM
N#Cc1cc(NC(=O)c2ccn(-c3ccccc3F)n2)ccc1-c1nn[n-]n1	ZINC000737708839	598928482	/nfs/dbraw/zinc/92/84/82/598928482.db2.gz	JGMYFDAFPNPLRC-UHFFFAOYSA-N	-1	3	374.339	2.315	20	30		FEEDHM
C=CC[C@@H](NS(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C)c1ccncc1	ZINC000735409473	599084323	/nfs/dbraw/zinc/08/43/23/599084323.db2.gz	FSTRDXCLMVYGAT-OAHLLOKOSA-N	-1	3	370.438	2.166	20	30		FEEDHM
C=CC[C@@H](NS(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C)c1ccncc1	ZINC000735409473	599084326	/nfs/dbraw/zinc/08/43/26/599084326.db2.gz	FSTRDXCLMVYGAT-OAHLLOKOSA-N	-1	3	370.438	2.166	20	30		FEEDHM
N#Cc1cccc(C(=O)OCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c1	ZINC000737723599	599151455	/nfs/dbraw/zinc/15/14/55/599151455.db2.gz	YHHMBZXPQKJWHT-UHFFFAOYSA-N	-1	3	373.332	2.145	20	30		FEEDHM
N#Cc1cccc(C(=O)OCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c1	ZINC000737723599	599151457	/nfs/dbraw/zinc/15/14/57/599151457.db2.gz	YHHMBZXPQKJWHT-UHFFFAOYSA-N	-1	3	373.332	2.145	20	30		FEEDHM
CS(=O)(=O)c1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2)cc1F	ZINC000737173971	599157266	/nfs/dbraw/zinc/15/72/66/599157266.db2.gz	PQLAZRCWCGGNMI-XBXARRHUSA-N	-1	3	372.381	2.305	20	30		FEEDHM
CS(=O)(=O)c1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2)cc1F	ZINC000737173971	599157268	/nfs/dbraw/zinc/15/72/68/599157268.db2.gz	PQLAZRCWCGGNMI-XBXARRHUSA-N	-1	3	372.381	2.305	20	30		FEEDHM
C#CCCCNC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1	ZINC000819693405	599192101	/nfs/dbraw/zinc/19/21/01/599192101.db2.gz	RNCAQFKAWZYTBY-UHFFFAOYSA-N	-1	3	351.366	2.182	20	30		FEEDHM
N#Cc1cc(NC(=O)c2cc(F)cc3nccnc32)ccc1-c1nnn[n-]1	ZINC000737709499	599192741	/nfs/dbraw/zinc/19/27/41/599192741.db2.gz	OTCADBZECJUXOK-UHFFFAOYSA-N	-1	3	360.312	2.073	20	30		FEEDHM
N#Cc1cc(NC(=O)c2cc(F)cc3nccnc32)ccc1-c1nn[n-]n1	ZINC000737709499	599192745	/nfs/dbraw/zinc/19/27/45/599192745.db2.gz	OTCADBZECJUXOK-UHFFFAOYSA-N	-1	3	360.312	2.073	20	30		FEEDHM
C[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)N(C)Cc1ccccc1	ZINC000735551714	599193062	/nfs/dbraw/zinc/19/30/62/599193062.db2.gz	RXQYQTGQWRKJCQ-CYBMUJFWSA-N	-1	3	361.409	2.197	20	30		FEEDHM
C[C@@H](C#N)COC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1	ZINC000819856793	607323001	/nfs/dbraw/zinc/32/30/01/607323001.db2.gz	MAHSOSKDRQZWJJ-NSHDSACASA-N	-1	3	353.338	2.355	20	30		FEEDHM
N#Cc1ccccc1CN1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1	ZINC000737727684	598256867	/nfs/dbraw/zinc/25/68/67/598256867.db2.gz	QTFJAXGXEMRSDX-UHFFFAOYSA-N	-1	3	363.400	2.200	20	30		FEEDHM
N#Cc1cccc(CN2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)c1	ZINC000737722044	598256888	/nfs/dbraw/zinc/25/68/88/598256888.db2.gz	FDPIXPNQWIPAEX-UHFFFAOYSA-N	-1	3	363.400	2.200	20	30		FEEDHM
CN(C(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1ccc(C#N)cc1F	ZINC000736733311	598281386	/nfs/dbraw/zinc/28/13/86/598281386.db2.gz	SNFQXPXBPNBQSU-UHFFFAOYSA-N	-1	3	350.357	2.473	20	30		FEEDHM
CN(C(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1ccc(C#N)cc1F	ZINC000736733311	598281387	/nfs/dbraw/zinc/28/13/87/598281387.db2.gz	SNFQXPXBPNBQSU-UHFFFAOYSA-N	-1	3	350.357	2.473	20	30		FEEDHM
COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)N(CCC#N)C(C)C	ZINC000737031724	598332207	/nfs/dbraw/zinc/33/22/07/598332207.db2.gz	CEGQJGAJXQWVAL-UHFFFAOYSA-N	-1	3	372.429	2.185	20	30		FEEDHM
COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)N(CCC#N)C(C)C	ZINC000737031724	598332209	/nfs/dbraw/zinc/33/22/09/598332209.db2.gz	CEGQJGAJXQWVAL-UHFFFAOYSA-N	-1	3	372.429	2.185	20	30		FEEDHM
N#Cc1cnc(N2CCN(c3ccccc3-c3nnn[n-]3)CC2)c(Cl)c1	ZINC000737728833	598394149	/nfs/dbraw/zinc/39/41/49/598394149.db2.gz	WNZNQQYZDOSDTM-UHFFFAOYSA-N	-1	3	366.816	2.113	20	30		FEEDHM
N#Cc1cnc(N2CCN(c3ccccc3-c3nn[n-]n3)CC2)c(Cl)c1	ZINC000737728833	598394150	/nfs/dbraw/zinc/39/41/50/598394150.db2.gz	WNZNQQYZDOSDTM-UHFFFAOYSA-N	-1	3	366.816	2.113	20	30		FEEDHM
N#Cc1cccc(C(=O)COC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1	ZINC000826386507	607362188	/nfs/dbraw/zinc/36/21/88/607362188.db2.gz	HVNVPZWFVKYOHO-HJWRWDBZSA-N	-1	3	359.345	2.178	20	30		FEEDHM
N#Cc1cccc(C(=O)COC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1	ZINC000826386507	607362189	/nfs/dbraw/zinc/36/21/89/607362189.db2.gz	HVNVPZWFVKYOHO-HJWRWDBZSA-N	-1	3	359.345	2.178	20	30		FEEDHM
COc1cc(-c2nnn[n-]2)ccc1OC(=O)CSc1ccc(C#N)cc1	ZINC000737024017	598649352	/nfs/dbraw/zinc/64/93/52/598649352.db2.gz	IYOKXRFLSBMJSP-UHFFFAOYSA-N	-1	3	367.390	2.445	20	30		FEEDHM
COc1cc(-c2nn[n-]n2)ccc1OC(=O)CSc1ccc(C#N)cc1	ZINC000737024017	598649354	/nfs/dbraw/zinc/64/93/54/598649354.db2.gz	IYOKXRFLSBMJSP-UHFFFAOYSA-N	-1	3	367.390	2.445	20	30		FEEDHM
C#Cc1cccc(N(CC)S(=O)(=O)c2ccccc2-c2nnn[n-]2)c1	ZINC000735391708	598662463	/nfs/dbraw/zinc/66/24/63/598662463.db2.gz	WNWBGXQNVNFJRE-UHFFFAOYSA-N	-1	3	353.407	2.063	20	30		FEEDHM
C#Cc1cccc(N(CC)S(=O)(=O)c2ccccc2-c2nn[n-]n2)c1	ZINC000735391708	598662464	/nfs/dbraw/zinc/66/24/64/598662464.db2.gz	WNWBGXQNVNFJRE-UHFFFAOYSA-N	-1	3	353.407	2.063	20	30		FEEDHM
CC(C)CCN(CCC#N)C(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1	ZINC000735803711	598752333	/nfs/dbraw/zinc/75/23/33/598752333.db2.gz	IRHLYNOFFUEZTI-CQSZACIVSA-N	-1	3	356.430	2.422	20	30		FEEDHM
C#Cc1cccc(NC(=O)CN(C)[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1	ZINC000735390683	599311341	/nfs/dbraw/zinc/31/13/41/599311341.db2.gz	BRCOSQPPLYNCBS-CQSZACIVSA-N	-1	3	360.421	2.480	20	30		FEEDHM
N#C[C@@H](c1ccccc1)N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1	ZINC000822801986	599343094	/nfs/dbraw/zinc/34/30/94/599343094.db2.gz	SRNOXQPBQITYOL-KRWDZBQOSA-N	-1	3	363.400	2.393	20	30		FEEDHM
N#C[C@@H](c1ccccc1)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1	ZINC000822801986	599343098	/nfs/dbraw/zinc/34/30/98/599343098.db2.gz	SRNOXQPBQITYOL-KRWDZBQOSA-N	-1	3	363.400	2.393	20	30		FEEDHM
Cc1nc2sccn2c1C=NOCCOc1ccc(-c2nn[n-]n2)cc1	ZINC000822467164	599387102	/nfs/dbraw/zinc/38/71/02/599387102.db2.gz	JASBSKPGJIJXLD-UHFFFAOYSA-N	-1	3	369.410	2.314	20	30		FEEDHM
O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1ccc([N+](=O)[O-])cc1	ZINC000737804377	599459522	/nfs/dbraw/zinc/45/95/22/599459522.db2.gz	AYGAUMLIWDJYOZ-VOTSOKGWSA-N	-1	3	361.321	2.319	20	30		FEEDHM
O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1ccc([N+](=O)[O-])cc1	ZINC000737804377	599459524	/nfs/dbraw/zinc/45/95/24/599459524.db2.gz	AYGAUMLIWDJYOZ-VOTSOKGWSA-N	-1	3	361.321	2.319	20	30		FEEDHM
C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1	ZINC000820537017	599527329	/nfs/dbraw/zinc/52/73/29/599527329.db2.gz	ZYNZDSAUEFRERN-CHWSQXEVSA-N	-1	3	362.393	2.383	20	30		FEEDHM
C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1	ZINC000820537017	599527331	/nfs/dbraw/zinc/52/73/31/599527331.db2.gz	ZYNZDSAUEFRERN-CHWSQXEVSA-N	-1	3	362.393	2.383	20	30		FEEDHM
C#CCOc1ccc(C(=O)OCc2cn3ccccc3c2-c2nnn[n-]2)cc1	ZINC000819710232	599664572	/nfs/dbraw/zinc/66/45/72/599664572.db2.gz	ZOHJKSPUHADCOI-UHFFFAOYSA-N	-1	3	373.372	2.488	20	30		FEEDHM
C#CCOc1ccc(C(=O)OCc2cn3ccccc3c2-c2nn[n-]n2)cc1	ZINC000819710232	599664573	/nfs/dbraw/zinc/66/45/73/599664573.db2.gz	ZOHJKSPUHADCOI-UHFFFAOYSA-N	-1	3	373.372	2.488	20	30		FEEDHM
COc1ccc(-c2nnn[n-]2)cc1COC(=O)c1ccccc1OCC#N	ZINC000821749251	607415600	/nfs/dbraw/zinc/41/56/00/607415600.db2.gz	CLTNEHPJEDSHOX-UHFFFAOYSA-N	-1	3	365.349	2.135	20	30		FEEDHM
COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1ccccc1OCC#N	ZINC000821749251	607415601	/nfs/dbraw/zinc/41/56/01/607415601.db2.gz	CLTNEHPJEDSHOX-UHFFFAOYSA-N	-1	3	365.349	2.135	20	30		FEEDHM
CCc1nsc(N2CCCN([C@H](C(=O)[O-])c3cccc(C#N)c3)CC2)n1	ZINC000830351173	601321999	/nfs/dbraw/zinc/32/19/99/601321999.db2.gz	SXFZCLNKRQRDSH-INIZCTEOSA-N	-1	3	371.466	2.310	20	30		FEEDHM
CN(C[C@H]1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1)C(=O)[O-]	ZINC000739658527	602542997	/nfs/dbraw/zinc/54/29/97/602542997.db2.gz	FENFOHOIWPOSKW-OLZOCXBDSA-N	-1	3	372.450	2.404	20	30		FEEDHM
Cc1nnc(-c2cccc(C#N)c2)n1CN1CCC(CNC(=O)[O-])CC1	ZINC000740252721	603080521	/nfs/dbraw/zinc/08/05/21/603080521.db2.gz	KZKPTCVWPWWJSU-UHFFFAOYSA-N	-1	3	354.414	2.062	20	30		FEEDHM
Cc1nnc(-c2cccc(C#N)c2)n1CN1CCC([C@H](C)NC(=O)[O-])CC1	ZINC000740254103	603081499	/nfs/dbraw/zinc/08/14/99/603081499.db2.gz	UUDWESVMHBVUCH-ZDUSSCGKSA-N	-1	3	368.441	2.451	20	30		FEEDHM
C[C@@](CNC(=O)[O-])(NCC(=O)Nc1cc(Cl)ccc1C#N)C1CC1	ZINC000824954246	604341275	/nfs/dbraw/zinc/34/12/75/604341275.db2.gz	YZMJGDLVEVBYQD-INIZCTEOSA-N	-1	3	350.806	2.176	20	30		FEEDHM
C=CCN1CCC(NC(=O)N(CCC)C2CCN(C(=O)[O-])CC2)CC1	ZINC000823506536	605612560	/nfs/dbraw/zinc/61/25/60/605612560.db2.gz	IPRHILONAFKRAA-UHFFFAOYSA-N	-1	3	352.479	2.201	20	30		FEEDHM
COC(=O)[C@H](N[C@@H](C)c1ccc(C#N)cc1)c1cccc(-c2nnn[n-]2)c1	ZINC000821641111	606299611	/nfs/dbraw/zinc/29/96/11/606299611.db2.gz	WIJVRVYSQBRLDR-YVEFUNNKSA-N	-1	3	362.393	2.303	20	30		FEEDHM
COC(=O)[C@H](N[C@@H](C)c1ccc(C#N)cc1)c1cccc(-c2nn[n-]n2)c1	ZINC000821641111	606299612	/nfs/dbraw/zinc/29/96/12/606299612.db2.gz	WIJVRVYSQBRLDR-YVEFUNNKSA-N	-1	3	362.393	2.303	20	30		FEEDHM
NC(=NOCc1ccc(-c2nnn[n-]2)cc1OC(F)F)c1cccs1	ZINC000822845992	606595873	/nfs/dbraw/zinc/59/58/73/606595873.db2.gz	MHNFOTKBZADNMB-UHFFFAOYSA-N	-1	3	366.353	2.367	20	30		FEEDHM
NC(=NOCc1ccc(-c2nn[n-]n2)cc1OC(F)F)c1cccs1	ZINC000822845992	606595875	/nfs/dbraw/zinc/59/58/75/606595875.db2.gz	MHNFOTKBZADNMB-UHFFFAOYSA-N	-1	3	366.353	2.367	20	30		FEEDHM
COc1ccc(-c2nnn[n-]2)cc1NCc1nnc(-c2cccc(C#N)c2)o1	ZINC000821766423	606703346	/nfs/dbraw/zinc/70/33/46/606703346.db2.gz	WTKLVXAFZYYVTJ-UHFFFAOYSA-N	-1	3	374.364	2.409	20	30		FEEDHM
COc1ccc(-c2nn[n-]n2)cc1NCc1nnc(-c2cccc(C#N)c2)o1	ZINC000821766423	606703350	/nfs/dbraw/zinc/70/33/50/606703350.db2.gz	WTKLVXAFZYYVTJ-UHFFFAOYSA-N	-1	3	374.364	2.409	20	30		FEEDHM
COc1ccc(C#N)cc1NCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1	ZINC000821770172	606703402	/nfs/dbraw/zinc/70/34/02/606703402.db2.gz	QAQXRHDUYNYRRM-UHFFFAOYSA-N	-1	3	374.364	2.409	20	30		FEEDHM
COc1ccc(C#N)cc1NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1	ZINC000821770172	606703403	/nfs/dbraw/zinc/70/34/03/606703403.db2.gz	QAQXRHDUYNYRRM-UHFFFAOYSA-N	-1	3	374.364	2.409	20	30		FEEDHM
C[C@H](C#N)CNC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1	ZINC000819844260	606832882	/nfs/dbraw/zinc/83/28/82/606832882.db2.gz	AAOZVJPTUBKKTO-LLVKDONJSA-N	-1	3	364.369	2.335	20	30		FEEDHM
C[C@H](C#N)CNC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1	ZINC000819844260	606832884	/nfs/dbraw/zinc/83/28/84/606832884.db2.gz	AAOZVJPTUBKKTO-LLVKDONJSA-N	-1	3	364.369	2.335	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)S(=O)(=O)CC1CCCC1	ZINC000819745949	607003248	/nfs/dbraw/zinc/00/32/48/607003248.db2.gz	WGAQVTFAGMCVII-UHFFFAOYSA-N	-1	3	361.471	2.375	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)S(=O)(=O)CC1CCCC1	ZINC000819745949	607003250	/nfs/dbraw/zinc/00/32/50/607003250.db2.gz	WGAQVTFAGMCVII-UHFFFAOYSA-N	-1	3	361.471	2.375	20	30		FEEDHM
Cc1nnc(-c2ccc(C(=O)Nc3ccc(C#N)c(-c4nnn[n-]4)c3)cc2)o1	ZINC000822505724	607019409	/nfs/dbraw/zinc/01/94/09/607019409.db2.gz	SXRVYKQWKYJOOI-UHFFFAOYSA-N	-1	3	372.348	2.349	20	30		FEEDHM
Cc1nnc(-c2ccc(C(=O)Nc3ccc(C#N)c(-c4nn[n-]n4)c3)cc2)o1	ZINC000822505724	607019411	/nfs/dbraw/zinc/01/94/11/607019411.db2.gz	SXRVYKQWKYJOOI-UHFFFAOYSA-N	-1	3	372.348	2.349	20	30		FEEDHM
Cc1nnc(-c2cccc(C(=O)Nc3ccc(C#N)c(-c4nnn[n-]4)c3)c2)o1	ZINC000822505467	607019501	/nfs/dbraw/zinc/01/95/01/607019501.db2.gz	LEFORVUOVFQUQL-UHFFFAOYSA-N	-1	3	372.348	2.349	20	30		FEEDHM
Cc1nnc(-c2cccc(C(=O)Nc3ccc(C#N)c(-c4nn[n-]n4)c3)c2)o1	ZINC000822505467	607019502	/nfs/dbraw/zinc/01/95/02/607019502.db2.gz	LEFORVUOVFQUQL-UHFFFAOYSA-N	-1	3	372.348	2.349	20	30		FEEDHM
C(=Nn1cnnc1-c1ccccc1)c1c[nH]c2ccc(-c3nnn[n-]3)cc12	ZINC000819718806	607146464	/nfs/dbraw/zinc/14/64/64/607146464.db2.gz	QXNILJUFXNUOBJ-UHFFFAOYSA-N	-1	3	355.365	2.489	20	30		FEEDHM
C(=Nn1cnnc1-c1ccccc1)c1c[nH]c2ccc(-c3nn[n-]n3)cc12	ZINC000819718806	607146465	/nfs/dbraw/zinc/14/64/65/607146465.db2.gz	QXNILJUFXNUOBJ-UHFFFAOYSA-N	-1	3	355.365	2.489	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCC1(CCOC)CC1	ZINC000819743267	607217977	/nfs/dbraw/zinc/21/79/77/607217977.db2.gz	GHHGAIHQPHLHRV-UHFFFAOYSA-N	-1	3	370.457	2.381	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCC1(CCOC)CC1	ZINC000819743267	607217978	/nfs/dbraw/zinc/21/79/78/607217978.db2.gz	GHHGAIHQPHLHRV-UHFFFAOYSA-N	-1	3	370.457	2.381	20	30		FEEDHM
N#Cc1ccc([C@H](O)Cn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)cc1	ZINC000826384856	607868624	/nfs/dbraw/zinc/86/86/24/607868624.db2.gz	MDERJLUTXWEOQH-GOSISDBHSA-N	-1	3	357.377	2.335	20	30		FEEDHM
N#Cc1ccc([C@H](O)Cn2ccc(-c3ccc(-c4nn[n-]n4)cc3)n2)cc1	ZINC000826384856	607868625	/nfs/dbraw/zinc/86/86/25/607868625.db2.gz	MDERJLUTXWEOQH-GOSISDBHSA-N	-1	3	357.377	2.335	20	30		FEEDHM
N#Cc1ccc(-c2ccn(C[C@H](O)c3ccc(-c4nnn[n-]4)cc3)n2)cc1	ZINC000826384392	607868763	/nfs/dbraw/zinc/86/87/63/607868763.db2.gz	SWGJYUOHVQXQOF-SFHVURJKSA-N	-1	3	357.377	2.335	20	30		FEEDHM
N#Cc1ccc(-c2ccn(C[C@H](O)c3ccc(-c4nn[n-]n4)cc3)n2)cc1	ZINC000826384392	607868764	/nfs/dbraw/zinc/86/87/64/607868764.db2.gz	SWGJYUOHVQXQOF-SFHVURJKSA-N	-1	3	357.377	2.335	20	30		FEEDHM
Cc1cc(-c2nn[n-]n2)cc(C)c1OC[C@H](O)COc1ccc(C#N)cc1	ZINC000826242902	607874129	/nfs/dbraw/zinc/87/41/29/607874129.db2.gz	LLPMNYBLBXQJQH-MRXNPFEDSA-N	-1	3	365.393	2.174	20	30		FEEDHM
COc1cc2c(c(C=NNCc3ccc(-c4nnn[n-]4)cc3)c1)O[C@@H](C)C2	ZINC000826178831	607889679	/nfs/dbraw/zinc/88/96/79/607889679.db2.gz	OIKGICWIBWYQQD-LBPRGKRZSA-N	-1	3	364.409	2.322	20	30		FEEDHM
COc1cc2c(c(C=NNCc3ccc(-c4nn[n-]n4)cc3)c1)O[C@@H](C)C2	ZINC000826178831	607889680	/nfs/dbraw/zinc/88/96/80/607889680.db2.gz	OIKGICWIBWYQQD-LBPRGKRZSA-N	-1	3	364.409	2.322	20	30		FEEDHM
C(=NNCc1ccc(-c2nnn[n-]2)cc1)c1cnc([C@H]2CCCO2)s1	ZINC000823861969	607889774	/nfs/dbraw/zinc/88/97/74/607889774.db2.gz	VKCINIVBGCFLNO-CQSZACIVSA-N	-1	3	355.427	2.298	20	30		FEEDHM
C(=NNCc1ccc(-c2nn[n-]n2)cc1)c1cnc([C@H]2CCCO2)s1	ZINC000823861969	607889775	/nfs/dbraw/zinc/88/97/75/607889775.db2.gz	VKCINIVBGCFLNO-CQSZACIVSA-N	-1	3	355.427	2.298	20	30		FEEDHM
Cc1ncc(C=NNCc2ccc(-c3nnn[n-]3)cc2)n1-c1ccccc1	ZINC000826329553	607890498	/nfs/dbraw/zinc/89/04/98/607890498.db2.gz	IBBFLLKXJDMYIE-UHFFFAOYSA-N	-1	3	358.409	2.485	20	30		FEEDHM
Cc1ncc(C=NNCc2ccc(-c3nn[n-]n3)cc2)n1-c1ccccc1	ZINC000826329553	607890499	/nfs/dbraw/zinc/89/04/99/607890499.db2.gz	IBBFLLKXJDMYIE-UHFFFAOYSA-N	-1	3	358.409	2.485	20	30		FEEDHM
C#CC[C@@H](NS(=O)(=O)c1cccc(C)c1-c1nnn[n-]1)c1ccccc1	ZINC000823837737	607938787	/nfs/dbraw/zinc/93/87/87/607938787.db2.gz	GMVNSJZGOQZQBA-OAHLLOKOSA-N	-1	3	367.434	2.218	20	30		FEEDHM
C#CC[C@@H](NS(=O)(=O)c1cccc(C)c1-c1nn[n-]n1)c1ccccc1	ZINC000823837737	607938788	/nfs/dbraw/zinc/93/87/88/607938788.db2.gz	GMVNSJZGOQZQBA-OAHLLOKOSA-N	-1	3	367.434	2.218	20	30		FEEDHM
C=CCCOCCNC(=O)N(CCC)Cc1ccc(-c2nnn[n-]2)cc1	ZINC000823899552	607940451	/nfs/dbraw/zinc/94/04/51/607940451.db2.gz	YCBQPNKUVZBBBU-UHFFFAOYSA-N	-1	3	358.446	2.381	20	30		FEEDHM
C=CCCOCCNC(=O)N(CCC)Cc1ccc(-c2nn[n-]n2)cc1	ZINC000823899552	607940452	/nfs/dbraw/zinc/94/04/52/607940452.db2.gz	YCBQPNKUVZBBBU-UHFFFAOYSA-N	-1	3	358.446	2.381	20	30		FEEDHM
C=CCCOCCNC(=O)c1cc(C2CC2)nc(SC)c1-c1nnn[n-]1	ZINC000823899612	607944620	/nfs/dbraw/zinc/94/46/20/607944620.db2.gz	ZILHZHKLNSMKNJ-UHFFFAOYSA-N	-1	3	374.470	2.184	20	30		FEEDHM
C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21	ZINC000824739118	607951503	/nfs/dbraw/zinc/95/15/03/607951503.db2.gz	VIUIHYOKTRIFNB-GFCCVEGCSA-N	-1	3	360.377	2.095	20	30		FEEDHM
C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21	ZINC000824739118	607951504	/nfs/dbraw/zinc/95/15/04/607951504.db2.gz	VIUIHYOKTRIFNB-GFCCVEGCSA-N	-1	3	360.377	2.095	20	30		FEEDHM
CCOC(=O)[C@@H]1CCC(=NNCc2ccc(-c3nnn[n-]3)cc2)[C@H](C)C1	ZINC000825499035	608054114	/nfs/dbraw/zinc/05/41/14/608054114.db2.gz	GDGNXXISVFJRGE-IUODEOHRSA-N	-1	3	356.430	2.312	20	30		FEEDHM
CCOC(=O)[C@@H]1CCC(=NNCc2ccc(-c3nn[n-]n3)cc2)[C@H](C)C1	ZINC000825499035	608054115	/nfs/dbraw/zinc/05/41/15/608054115.db2.gz	GDGNXXISVFJRGE-IUODEOHRSA-N	-1	3	356.430	2.312	20	30		FEEDHM
C[C@]1(C#N)CCCN(CC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1	ZINC000824778442	608125799	/nfs/dbraw/zinc/12/57/99/608125799.db2.gz	OXVLJSXVMDEUGV-MRXNPFEDSA-N	-1	3	359.821	2.084	20	30		FEEDHM
C[C@]1(C#N)CCCN(CC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1	ZINC000824778442	608125800	/nfs/dbraw/zinc/12/58/00/608125800.db2.gz	OXVLJSXVMDEUGV-MRXNPFEDSA-N	-1	3	359.821	2.084	20	30		FEEDHM
CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)c1sccc1C#N	ZINC000825797208	608179415	/nfs/dbraw/zinc/17/94/15/608179415.db2.gz	YMJHAMFMSIZTGC-UHFFFAOYSA-N	-1	3	364.394	2.422	20	30		FEEDHM
CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)c1sccc1C#N	ZINC000825797208	608179417	/nfs/dbraw/zinc/17/94/17/608179417.db2.gz	YMJHAMFMSIZTGC-UHFFFAOYSA-N	-1	3	364.394	2.422	20	30		FEEDHM
COCCn1nc(C)c(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)c1C	ZINC000826163830	608230745	/nfs/dbraw/zinc/23/07/45/608230745.db2.gz	NDRPRXKTTSECQM-VOTSOKGWSA-N	-1	3	370.388	2.362	20	30		FEEDHM
COCCn1nc(C)c(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)c1C	ZINC000826163830	608230747	/nfs/dbraw/zinc/23/07/47/608230747.db2.gz	NDRPRXKTTSECQM-VOTSOKGWSA-N	-1	3	370.388	2.362	20	30		FEEDHM
C=CCN(C1CC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1	ZINC000823904000	608248876	/nfs/dbraw/zinc/24/88/76/608248876.db2.gz	QRCSQAZOWBJZRW-UHFFFAOYSA-N	-1	3	373.360	2.225	20	30		FEEDHM
N#C[C@H](COC(=O)COc1cccc(-c2nnn[n-]2)c1)Cc1cccs1	ZINC000826378857	608276238	/nfs/dbraw/zinc/27/62/38/608276238.db2.gz	BYWLEQNXMIRFEO-GFCCVEGCSA-N	-1	3	369.406	2.233	20	30		FEEDHM
N#C[C@H](COC(=O)COc1cccc(-c2nn[n-]n2)c1)Cc1cccs1	ZINC000826378857	608276239	/nfs/dbraw/zinc/27/62/39/608276239.db2.gz	BYWLEQNXMIRFEO-GFCCVEGCSA-N	-1	3	369.406	2.233	20	30		FEEDHM
C=CCN(CC=C)C(=O)CN1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1	ZINC000823903726	608461084	/nfs/dbraw/zinc/46/10/84/608461084.db2.gz	IRQZOYIYNLEJDZ-UHFFFAOYSA-N	-1	3	364.453	2.156	20	30		FEEDHM
C#CC[C@H](NCC(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1)c1ccccc1	ZINC000823838667	608518836	/nfs/dbraw/zinc/51/88/36/608518836.db2.gz	SPLRPZCPUVQLQQ-HNNXBMFYSA-N	-1	3	364.409	2.369	20	30		FEEDHM
COc1cccc(OC)c1CN=Nc1cc(-c2nnn[n-]2)cc(Cl)n1	ZINC000826217607	608536173	/nfs/dbraw/zinc/53/61/73/608536173.db2.gz	UZUHVYKQRQWEHT-UHFFFAOYSA-N	-1	3	359.777	2.378	20	30		FEEDHM
COc1cccc(OC)c1CN=Nc1cc(-c2nn[n-]n2)cc(Cl)n1	ZINC000826217607	608536174	/nfs/dbraw/zinc/53/61/74/608536174.db2.gz	UZUHVYKQRQWEHT-UHFFFAOYSA-N	-1	3	359.777	2.378	20	30		FEEDHM
O=C1CCCN1N=Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1	ZINC000826480433	608752933	/nfs/dbraw/zinc/75/29/33/608752933.db2.gz	BBXTUBLKGDTJOT-UHFFFAOYSA-N	-1	3	362.393	2.402	20	30		FEEDHM
O=C1CCCN1N=Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1	ZINC000826480433	608752937	/nfs/dbraw/zinc/75/29/37/608752937.db2.gz	BBXTUBLKGDTJOT-UHFFFAOYSA-N	-1	3	362.393	2.402	20	30		FEEDHM
CCC[C@@H](C#N)NC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1	ZINC000825225081	608844040	/nfs/dbraw/zinc/84/40/40/608844040.db2.gz	KWJWUTHGGZCTPG-AWEZNQCLSA-N	-1	3	366.381	2.461	20	30		FEEDHM
CCC[C@@H](C#N)NC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1	ZINC000825225081	608844042	/nfs/dbraw/zinc/84/40/42/608844042.db2.gz	KWJWUTHGGZCTPG-AWEZNQCLSA-N	-1	3	366.381	2.461	20	30		FEEDHM
CCc1nn(C)cc1C=CC(=O)c1c(C)n2c(c1-c1nnn[n-]1)CCC2	ZINC000825763533	608879165	/nfs/dbraw/zinc/87/91/65/608879165.db2.gz	YZICDDJHCPGLQN-BQYQJAHWSA-N	-1	3	351.414	2.115	20	30		FEEDHM
CCc1nn(C)cc1C=CC(=O)c1c(C)n2c(c1-c1nn[n-]n1)CCC2	ZINC000825763533	608879168	/nfs/dbraw/zinc/87/91/68/608879168.db2.gz	YZICDDJHCPGLQN-BQYQJAHWSA-N	-1	3	351.414	2.115	20	30		FEEDHM
Cc1nn(C)c2ncc(C=CC(=O)c3ccc(-c4nnn[n-]4)cc3F)cc12	ZINC000826334565	609270457	/nfs/dbraw/zinc/27/04/57/609270457.db2.gz	ZZFLVEICDILMCX-ZZXKWVIFSA-N	-1	3	363.356	2.492	20	30		FEEDHM
Cc1nn(C)c2ncc(C=CC(=O)c3ccc(-c4nn[n-]n4)cc3F)cc12	ZINC000826334565	609270459	/nfs/dbraw/zinc/27/04/59/609270459.db2.gz	ZZFLVEICDILMCX-ZZXKWVIFSA-N	-1	3	363.356	2.492	20	30		FEEDHM
N#CCC1CCN(C(=O)CSCc2ccc(-c3nnn[n-]3)cc2)CC1	ZINC000826380662	609424410	/nfs/dbraw/zinc/42/44/10/609424410.db2.gz	JBKOSAIHFQSRGB-UHFFFAOYSA-N	-1	3	356.455	2.252	20	30		FEEDHM
N#CCC1CCN(C(=O)CSCc2ccc(-c3nn[n-]n3)cc2)CC1	ZINC000826380662	609424412	/nfs/dbraw/zinc/42/44/12/609424412.db2.gz	JBKOSAIHFQSRGB-UHFFFAOYSA-N	-1	3	356.455	2.252	20	30		FEEDHM
O=C(Nc1cccc(C#Cc2ccccn2)c1)c1c[nH]c(-c2nnn[n-]2)c1	ZINC000826456823	609424382	/nfs/dbraw/zinc/42/43/82/609424382.db2.gz	YVVXWKRIHLPJRB-UHFFFAOYSA-N	-1	3	355.361	2.242	20	30		FEEDHM
O=C(Nc1cccc(C#Cc2ccccn2)c1)c1c[nH]c(-c2nn[n-]n2)c1	ZINC000826456823	609424383	/nfs/dbraw/zinc/42/43/83/609424383.db2.gz	YVVXWKRIHLPJRB-UHFFFAOYSA-N	-1	3	355.361	2.242	20	30		FEEDHM
C[C@@H](C#N)Oc1ccccc1NCC(=O)Nc1ccc(-c2nnn[n-]2)cc1	ZINC000824035005	609511818	/nfs/dbraw/zinc/51/18/18/609511818.db2.gz	RLJMEWAKRWDCJV-LBPRGKRZSA-N	-1	3	363.381	2.208	20	30		FEEDHM
C[C@@H](C#N)Oc1ccccc1NCC(=O)Nc1ccc(-c2nn[n-]n2)cc1	ZINC000824035005	609511821	/nfs/dbraw/zinc/51/18/21/609511821.db2.gz	RLJMEWAKRWDCJV-LBPRGKRZSA-N	-1	3	363.381	2.208	20	30		FEEDHM
N#CCCCNC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1	ZINC000826381577	609515668	/nfs/dbraw/zinc/51/56/68/609515668.db2.gz	QWDXPNHVZJLNOD-UHFFFAOYSA-N	-1	3	352.354	2.072	20	30		FEEDHM
N#CCCCNC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1	ZINC000826381577	609515671	/nfs/dbraw/zinc/51/56/71/609515671.db2.gz	QWDXPNHVZJLNOD-UHFFFAOYSA-N	-1	3	352.354	2.072	20	30		FEEDHM
C=CCOCCNC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C	ZINC000823926066	609619819	/nfs/dbraw/zinc/61/98/19/609619819.db2.gz	XTDUTXOTUZJKIG-UHFFFAOYSA-N	-1	3	358.446	2.237	20	30		FEEDHM
C=CCOCCNC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C	ZINC000823926066	609619820	/nfs/dbraw/zinc/61/98/20/609619820.db2.gz	XTDUTXOTUZJKIG-UHFFFAOYSA-N	-1	3	358.446	2.237	20	30		FEEDHM
O=C(OCC#Cc1ccc(Cl)cc1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1	ZINC000826463011	609633992	/nfs/dbraw/zinc/63/39/92/609633992.db2.gz	POSKIWRNXJPIDG-INIZCTEOSA-N	-1	3	368.780	2.148	20	30		FEEDHM
O=C(OCC#Cc1ccc(Cl)cc1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1	ZINC000826463011	609633993	/nfs/dbraw/zinc/63/39/93/609633993.db2.gz	POSKIWRNXJPIDG-INIZCTEOSA-N	-1	3	368.780	2.148	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)OCc2cccnc2C)ccc1F	ZINC000811074824	674577069	/nfs/dbraw/zinc/57/70/69/674577069.db2.gz	MRNGGZDQFFYVRL-UHFFFAOYSA-N	-1	3	364.398	2.350	20	30		FEEDHM
N#Cc1cc([O-])cc(C(=O)OCC(=O)NCCc2ccc(Cl)cc2)c1	ZINC000811187469	674587257	/nfs/dbraw/zinc/58/72/57/674587257.db2.gz	RWCRGIHLENJOHO-UHFFFAOYSA-N	-1	3	358.781	2.433	20	30		FEEDHM
CS(=O)(=O)[N-]c1cncc(C(=O)N(CCC#N)c2ccc(F)cc2)c1	ZINC000560406652	674584471	/nfs/dbraw/zinc/58/44/71/674584471.db2.gz	NVCYZAWXSQTOKH-UHFFFAOYSA-N	-1	3	362.386	2.153	20	30		FEEDHM
C#C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)oc1C)c1ccc(F)cc1	ZINC000812526274	674682564	/nfs/dbraw/zinc/68/25/64/674682564.db2.gz	GYZRZIHVBFLIFH-CYBMUJFWSA-N	-1	3	351.355	2.167	20	30		FEEDHM
Cc1ncc(CO)c(/C=N/[C@H](C)c2ncc(Br)cn2)c1[O-]	ZINC000814183846	674824922	/nfs/dbraw/zinc/82/49/22/674824922.db2.gz	OUBWJSDAGIRHOW-PXWMTNQWSA-N	-1	3	351.204	2.321	20	30		FEEDHM
O=C(COc1cc(Cl)c(Cl)cc1Cl)N[C@@H]1CCN([O-])C1=O	ZINC000816690253	675073325	/nfs/dbraw/zinc/07/33/25/675073325.db2.gz	MEUJZHSSYQTNIE-SECBINFHSA-N	-1	3	353.589	2.132	20	30		FEEDHM
O=C(N[C@H]1CCCN([O-])C1=O)c1cnn(-c2ccc(Cl)cc2Cl)c1	ZINC000816755459	675077597	/nfs/dbraw/zinc/07/75/97/675077597.db2.gz	ATEFLLFLKGZHSG-LBPRGKRZSA-N	-1	3	369.208	2.289	20	30		FEEDHM
N#CC1(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)CCCCC1	ZINC000101516715	670767117	/nfs/dbraw/zinc/76/71/17/670767117.db2.gz	JBDGBNWDZIDRIB-UHFFFAOYSA-N	-1	3	365.430	2.223	20	30		FEEDHM
N#CC1(CS(=O)(=O)[N-][C@H]([C@H]2CCCO2)C2(CO)CCC2)CCCCC1	ZINC000581636723	671920176	/nfs/dbraw/zinc/92/01/76/671920176.db2.gz	MWQYKJUUWGMIIM-HZPDHXFCSA-N	-1	3	370.515	2.090	20	30		FEEDHM
COC(=O)[C@H]([N-]S(=O)(=O)Cc1ccc(C#N)cc1)C1CCCCC1	ZINC000584254059	672170131	/nfs/dbraw/zinc/17/01/31/672170131.db2.gz	ZNGUOOGPAIHFLL-MRXNPFEDSA-N	-1	3	350.440	2.100	20	30		FEEDHM
COC(=O)c1cc(S(=O)(=O)[N-]C[C@H](C)C#N)c(Cl)cc1Cl	ZINC000175168443	672365838	/nfs/dbraw/zinc/36/58/38/672365838.db2.gz	AXZOOHUZYXYLQN-SSDOTTSWSA-N	-1	3	351.211	2.218	20	30		FEEDHM
CC(N=Nc1ccc(S(=O)(=O)NC2CC2)cn1)c1ccc([O-])c(F)c1	ZINC000728425493	673201111	/nfs/dbraw/zinc/20/11/11/673201111.db2.gz	IEUUJTNRUBKKOE-UHFFFAOYSA-N	-1	3	364.402	2.203	20	30		FEEDHM
CCc1ccc(COC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1	ZINC000735336713	673491362	/nfs/dbraw/zinc/49/13/62/673491362.db2.gz	FEYKSCVTCQODQA-UHFFFAOYSA-N	-1	3	358.419	2.031	20	30		FEEDHM
C[C@@H](CC(=O)N1CCCCCCC1)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000742506995	673729363	/nfs/dbraw/zinc/72/93/63/673729363.db2.gz	RUCTWSONIWJDGL-AWEZNQCLSA-N	-1	3	363.483	2.296	20	30		FEEDHM
Cc1nn(Cc2ccccc2Cl)c(Cl)c1C=NN1CC(=O)[N-]C1=O	ZINC000744809907	673812073	/nfs/dbraw/zinc/81/20/73/673812073.db2.gz	CYHZXTVKACIVNE-UHFFFAOYSA-N	-1	3	366.208	2.432	20	30		FEEDHM
CCOc1ccc([C@@]2(C(=O)N[C@@H]3CCN([O-])C3=O)CC2(Cl)Cl)cc1	ZINC000820120572	675337343	/nfs/dbraw/zinc/33/73/43/675337343.db2.gz	QSLLLLKDZWOBJF-IUODEOHRSA-N	-1	3	373.236	2.007	20	30		FEEDHM
Cc1csc(SCc2ccccc2C(=O)N[C@@H]2CCN([O-])C2=O)n1	ZINC000820156823	675340078	/nfs/dbraw/zinc/34/00/78/675340078.db2.gz	OHTCDAVKEIIURY-CYBMUJFWSA-N	-1	3	363.464	2.464	20	30		FEEDHM
O=C(N[C@@H]1CCN([O-])C1=O)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1	ZINC000820178760	675341521	/nfs/dbraw/zinc/34/15/21/675341521.db2.gz	AHOMDIFLHDJCTN-SGMGOOAPSA-N	-1	3	357.435	2.452	20	30		FEEDHM
Cc1ccc(Br)c2[nH]c(C(=O)N[C@H]3CCCN([O-])C3=O)cc21	ZINC000820543829	675368798	/nfs/dbraw/zinc/36/87/98/675368798.db2.gz	ALMRVJTXTQZYJT-NSHDSACASA-N	-1	3	366.215	2.349	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(-c2nc(-c3ocnc3C)no2)ccc1F	ZINC000820917961	675399157	/nfs/dbraw/zinc/39/91/57/675399157.db2.gz	MMIVMDBBMYUPCZ-UHFFFAOYSA-N	-1	3	364.358	2.303	20	30		FEEDHM
COc1ccc(C=NNC2=N[C@@H]3CCCC[C@H]3N2)c(Br)c1[O-]	ZINC000761013206	680707517	/nfs/dbraw/zinc/70/75/17/680707517.db2.gz	QFZUROUQUHNRMB-GHMZBOCLSA-N	-1	3	367.247	2.357	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)OCc2cnccc2C)ccc1F	ZINC000762350609	680748120	/nfs/dbraw/zinc/74/81/20/680748120.db2.gz	BBUQZODTDNOARU-UHFFFAOYSA-N	-1	3	364.398	2.350	20	30		FEEDHM
C#CCCOC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl	ZINC000765420786	680841827	/nfs/dbraw/zinc/84/18/27/680841827.db2.gz	XLGODYRQRWDMGO-UHFFFAOYSA-N	-1	3	350.223	2.228	20	30		FEEDHM
CCC1(NC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)CCCC1	ZINC000834303983	680210364	/nfs/dbraw/zinc/21/03/64/680210364.db2.gz	GBXJZGPPDPRBBK-ZDUSSCGKSA-N	-1	3	363.483	2.343	20	30		FEEDHM
N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1cn(CC2CC2)nn1	ZINC000835064627	680292564	/nfs/dbraw/zinc/29/25/64/680292564.db2.gz	GKTDDDNHKDEDJF-LLVKDONJSA-N	-1	3	361.764	2.442	20	30		FEEDHM
COc1ccc(NC(=O)C(C#N)=C([O-])c2cc3n(n2)CCC3)cc1Cl	ZINC000835066210	680292637	/nfs/dbraw/zinc/29/26/37/680292637.db2.gz	UYIFQDBQYLEDFF-GFCCVEGCSA-N	-1	3	358.785	2.452	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C[C@@H](C)C#N)C2CC2)ccc1F	ZINC000754174645	680341722	/nfs/dbraw/zinc/34/17/22/680341722.db2.gz	JEKUFXZKUDMTEY-LBPRGKRZSA-N	-1	3	365.430	2.054	20	30		FEEDHM
COc1ccc(C2N=NC(=S)N2N=Cc2ccc([O-])cn2)cc1OC	ZINC000755543795	680420626	/nfs/dbraw/zinc/42/06/26/680420626.db2.gz	UTPCOLNLNVYTSW-UHFFFAOYSA-N	-1	3	357.395	2.234	20	30		FEEDHM
C#C[C@H]([N-]S(=O)(=O)c1sc(C)cc1Br)[C@H]1CCCO1	ZINC000773056061	681122986	/nfs/dbraw/zinc/12/29/86/681122986.db2.gz	LUOJHJOKDKEQPK-WDEREUQCSA-N	-1	3	364.286	2.278	20	30		FEEDHM
C#C[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Br)[C@@H]1CCCO1	ZINC000773052099	681122740	/nfs/dbraw/zinc/12/27/40/681122740.db2.gz	OUPXBAODPZYUIK-RYUDHWBXSA-N	-1	3	362.220	2.047	20	30		FEEDHM
C[C@H](Sc1nncn1C)C(=O)C(C#N)=C([O-])C1(c2ccccc2)CC1	ZINC000845840573	681155912	/nfs/dbraw/zinc/15/59/12/681155912.db2.gz	MRYBKKJMPSPUQL-GXTWGEPZSA-N	-1	3	354.435	2.305	20	30		FEEDHM
C#C[C@H]([N-]C(=O)C(F)(F)c1ncccc1Br)C1CCOCC1	ZINC000912692843	685420138	/nfs/dbraw/zinc/42/01/38/685420138.db2.gz	NTISZIJTKUMPNN-LBPRGKRZSA-N	-1	3	373.197	2.481	20	30		FEEDHM
C[C@@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)N1CCc2sccc2C1	ZINC000776279923	681378639	/nfs/dbraw/zinc/37/86/39/681378639.db2.gz	NPESNRVLEOHVFW-LLVKDONJSA-N	-1	3	356.403	2.456	20	30		FEEDHM
CSc1cc(Br)ccc1C(=O)N[C@@H]1CCCN([O-])C1=O	ZINC000848130938	681477673	/nfs/dbraw/zinc/47/76/73/681477673.db2.gz	VOLMELGLVQALIX-SNVBAGLBSA-N	-1	3	359.245	2.281	20	30		FEEDHM
CC(C)=CCCOC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000849736828	681794627	/nfs/dbraw/zinc/79/46/27/681794627.db2.gz	XUERQKFDNQPDQM-ZDUSSCGKSA-N	-1	3	350.440	2.403	20	30		FEEDHM
O=C1Nc2cc([O-])ccc2C1=NNC(=S)NCCc1ccc(Cl)cc1	ZINC000915951356	685519862	/nfs/dbraw/zinc/51/98/62/685519862.db2.gz	AZPMGUBJLDYNRA-UHFFFAOYSA-N	-1	3	374.853	2.409	20	30		FEEDHM
Cc1ncc(CO)c(C=NN2C(=S)N=NC2c2ccccc2F)c1[O-]	ZINC000916319852	685523661	/nfs/dbraw/zinc/52/36/61/685523661.db2.gz	PSXYTMCBGFFOMH-UHFFFAOYSA-N	-1	3	359.386	2.156	20	30		FEEDHM
C[C@@H](O)[C@@H]([N-]S(=O)(=O)Cc1csc(C#N)c1)c1ccccc1F	ZINC000916674884	685526928	/nfs/dbraw/zinc/52/69/28/685526928.db2.gz	RDWZHHHPHWRIIQ-MEBBXXQBSA-N	-1	3	354.428	2.300	20	30		FEEDHM
C=CCCSCCNC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1	ZINC000852488045	682289158	/nfs/dbraw/zinc/28/91/58/682289158.db2.gz	TZCLMYYRGQIWIO-GFCCVEGCSA-N	-1	3	367.437	2.396	20	30		FEEDHM
C=CCCN(C)C(=O)[C@@H](CCCC)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000787359117	682453182	/nfs/dbraw/zinc/45/31/82/682453182.db2.gz	BAXATJYEBNNJOK-OAHLLOKOSA-N	-1	3	363.483	2.318	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)OCC[C@@H]2CCCO2)ccc1F	ZINC000787632758	682469572	/nfs/dbraw/zinc/46/95/72/682469572.db2.gz	DRBDCGJXWYEVDI-ZDUSSCGKSA-N	-1	3	357.403	2.016	20	30		FEEDHM
CC(C)(NC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1cccc(C#N)c1	ZINC000854004941	682501896	/nfs/dbraw/zinc/50/18/96/682501896.db2.gz	LVCUZWAIBZNROX-UHFFFAOYSA-N	-1	3	352.320	2.430	20	30		FEEDHM
N#CC[C@H]1CCCN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)C1	ZINC000855254374	682643926	/nfs/dbraw/zinc/64/39/26/682643926.db2.gz	JIHYNPXRNOWFSC-GFCCVEGCSA-N	-1	3	365.430	2.032	20	30		FEEDHM
C=CC[C@@]1(C(=O)Nc2nnc(OC)[n-]2)CCCN1C(=O)OC(C)(C)C	ZINC000790840244	682705959	/nfs/dbraw/zinc/70/59/59/682705959.db2.gz	ZETYUFZHDBNDCZ-INIZCTEOSA-N	-1	3	351.407	2.098	20	30		FEEDHM
C=CC[C@@]1(C(=O)Nc2n[n-]c(OC)n2)CCCN1C(=O)OC(C)(C)C	ZINC000790840244	682705961	/nfs/dbraw/zinc/70/59/61/682705961.db2.gz	ZETYUFZHDBNDCZ-INIZCTEOSA-N	-1	3	351.407	2.098	20	30		FEEDHM
C=CC[C@@]1(C(=O)Nc2nc(OC)n[n-]2)CCCN1C(=O)OC(C)(C)C	ZINC000790840244	682705966	/nfs/dbraw/zinc/70/59/66/682705966.db2.gz	ZETYUFZHDBNDCZ-INIZCTEOSA-N	-1	3	351.407	2.098	20	30		FEEDHM
C#CC[C@@H](CCOC)[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F	ZINC000859424715	683107352	/nfs/dbraw/zinc/10/73/52/683107352.db2.gz	JUKFYVOSMBHVDP-JTQLQIEISA-N	-1	3	369.336	2.431	20	30		FEEDHM
CS[C@H](C)[C@H](C)OC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000797225129	683232883	/nfs/dbraw/zinc/23/28/83/683232883.db2.gz	TZFYLJAHEYVICO-SDDRHHMPSA-N	-1	3	370.496	2.187	20	30		FEEDHM
C#C[C@H](NS(=O)(=O)c1ccc([N-]S(=O)(=O)CCCC)cc1)C(C)C	ZINC000798472500	683354722	/nfs/dbraw/zinc/35/47/22/683354722.db2.gz	MMYXYKHJVGRETG-INIZCTEOSA-N	-1	3	372.512	2.165	20	30		FEEDHM
CN(C)S(=O)(=O)c1cc(N=Cc2ccc(O)c([O-])c2O)ccc1Cl	ZINC000920942911	683382448	/nfs/dbraw/zinc/38/24/48/683382448.db2.gz	UCGWIBHIVCYCGL-UHFFFAOYSA-N	-1	3	370.814	2.458	20	30		FEEDHM
COCCC1N=NC(=S)N1N=Cc1c([O-])cccc1Br	ZINC000863096360	683677179	/nfs/dbraw/zinc/67/71/79/683677179.db2.gz	FPPSBGRXMFSOHN-UHFFFAOYSA-N	-1	3	357.233	2.106	20	30		FEEDHM
O=C(Nc1ncc(Cc2ccc(F)cc2)s1)N[C@H]1CCCN([O-])C1=O	ZINC000866108697	684072924	/nfs/dbraw/zinc/07/29/24/684072924.db2.gz	VGAXLDJGAGKXRU-ZDUSSCGKSA-N	-1	3	364.402	2.375	20	30		FEEDHM
O=C(CC(F)(F)C(F)(F)F)[N-][C@H]1CCCN(CC(F)(F)F)C1=O	ZINC000866844879	684166034	/nfs/dbraw/zinc/16/60/34/684166034.db2.gz	WNHNKWZNZQXJLI-LURJTMIESA-N	-1	3	356.213	2.244	20	30		FEEDHM
CN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)[C@@H]1CCC[C@H]1C#N	ZINC000870673627	684743572	/nfs/dbraw/zinc/74/35/72/684743572.db2.gz	CTHYYJAKEAKBLG-SWLSCSKDSA-N	-1	3	365.430	2.031	20	30		FEEDHM
C=CCC1(COC(=O)c2cc(S(=O)(=O)[N-]C)oc2C)CCOCC1	ZINC000870809570	684758540	/nfs/dbraw/zinc/75/85/40/684758540.db2.gz	NVTYLVFPEJKSSL-UHFFFAOYSA-N	-1	3	357.428	2.026	20	30		FEEDHM
CN(CCc1cccc(C#N)c1)C(=O)NCc1nc(C(F)(F)F)n[n-]1	ZINC000875508340	686026515	/nfs/dbraw/zinc/02/65/15/686026515.db2.gz	ZRJQMLFKXMUANY-UHFFFAOYSA-N	-1	3	352.320	2.079	20	30		FEEDHM
CC(C)(C)c1cc(NC(=O)N[C@H]2CCCN([O-])C2=O)n(C(C)(C)C)n1	ZINC000878592933	686614847	/nfs/dbraw/zinc/61/48/47/686614847.db2.gz	VXXLXBAOXHGPSZ-NSHDSACASA-N	-1	3	351.451	2.437	20	30		FEEDHM
O=C(Nc1cc(F)c(Br)c(F)c1)N[C@H]1CCCN([O-])C1=O	ZINC000879107015	686741860	/nfs/dbraw/zinc/74/18/60/686741860.db2.gz	QPKIKXPVVQTLMC-VIFPVBQESA-N	-1	3	364.146	2.229	20	30		FEEDHM
Cc1[nH]nc(C=Nn2c(=S)[n-]nc2[C@@H]2COc3ccccc3O2)c1C	ZINC000884391998	687861657	/nfs/dbraw/zinc/86/16/57/687861657.db2.gz	PMXOFXKGIWKSNN-AWEZNQCLSA-N	-1	3	356.411	2.301	20	30		FEEDHM
Cc1n[nH]c(C=Nn2c(=S)[n-]nc2[C@@H]2COc3ccccc3O2)c1C	ZINC000884391998	687861668	/nfs/dbraw/zinc/86/16/68/687861668.db2.gz	PMXOFXKGIWKSNN-AWEZNQCLSA-N	-1	3	356.411	2.301	20	30		FEEDHM
Cc1[nH]nc(C=Nn2c(=S)[n-]nc2[C@H]2COc3ccccc3O2)c1C	ZINC000884391999	687861705	/nfs/dbraw/zinc/86/17/05/687861705.db2.gz	PMXOFXKGIWKSNN-CQSZACIVSA-N	-1	3	356.411	2.301	20	30		FEEDHM
Cc1n[nH]c(C=Nn2c(=S)[n-]nc2[C@H]2COc3ccccc3O2)c1C	ZINC000884391999	687861711	/nfs/dbraw/zinc/86/17/11/687861711.db2.gz	PMXOFXKGIWKSNN-CQSZACIVSA-N	-1	3	356.411	2.301	20	30		FEEDHM
[O-]c1c(F)cc(Br)cc1C=NNC1=N[C@@H]2CCCC[C@@H]2N1	ZINC000884443016	687871879	/nfs/dbraw/zinc/87/18/79/687871879.db2.gz	XOGYDOAZGNDTKM-TXEJJXNPSA-N	-1	3	355.211	2.488	20	30		FEEDHM
Cc1cc(=O)[n-]c(N2CCN(c3c(Br)cccc3C#N)CC2)n1	ZINC000884706296	687908571	/nfs/dbraw/zinc/90/85/71/687908571.db2.gz	YPPPXGSBUOVGNW-UHFFFAOYSA-N	-1	3	374.242	2.451	20	30		FEEDHM
Cc1cc(=O)[n-]c(N2CCN(c3cccc(Br)c3C#N)CC2)n1	ZINC000884705040	687908651	/nfs/dbraw/zinc/90/86/51/687908651.db2.gz	CZNHMOLUQMAZDG-UHFFFAOYSA-N	-1	3	374.242	2.451	20	30		FEEDHM
C#CCC1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCOCC1	ZINC000885838421	688165758	/nfs/dbraw/zinc/16/57/58/688165758.db2.gz	GSJBAXOPVRQJKS-UHFFFAOYSA-N	-1	3	358.803	2.099	20	30		FEEDHM
C[C@@]1(CC(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)CCS(=O)(=O)N1	ZINC000900679368	690547143	/nfs/dbraw/zinc/54/71/43/690547143.db2.gz	OIKYTGBBRZODQZ-ZDUSSCGKSA-N	-1	3	367.254	2.183	20	30		FEEDHM
C[C@@H](Sc1nc(CC(=O)N([O-])Cc2ccc(F)cc2)cs1)C(N)=O	ZINC000904178791	691010227	/nfs/dbraw/zinc/01/02/27/691010227.db2.gz	USBXOLANHUZCCU-SECBINFHSA-N	-1	3	369.443	2.209	20	30		FEEDHM
CSCCCCC(=O)N([O-])CCCN1C(=O)c2ccccc2C1=O	ZINC000904184237	691010627	/nfs/dbraw/zinc/01/06/27/691010627.db2.gz	MWEADLUHLRLTQN-UHFFFAOYSA-N	-1	3	350.440	2.424	20	30		FEEDHM
C[C@H](C(=O)N([O-])CCCCc1ccccc1)S(=O)(=O)C1CCOCC1	ZINC000904196979	691012053	/nfs/dbraw/zinc/01/20/53/691012053.db2.gz	MMVRGWBQYGONKY-OAHLLOKOSA-N	-1	3	369.483	2.209	20	30		FEEDHM
CCO[C@]12CCC[C@@]1([N-]S(=O)(=O)Cc1ccc(CC#N)cc1)CCO2	ZINC000908018946	691600191	/nfs/dbraw/zinc/60/01/91/691600191.db2.gz	NEJWMKAKISRQQJ-MSOLQXFVSA-N	-1	3	364.467	2.248	20	30		FEEDHM
C=C(Cl)C[C@@H](NC(=O)NC[C@H](C)N(C)Cc1ccccc1)C(=O)[O-]	ZINC000908990774	691762986	/nfs/dbraw/zinc/76/29/86/691762986.db2.gz	UJBSAMKWDLUGEJ-DZGCQCFKSA-N	-1	3	353.850	2.402	20	30		FEEDHM
C=C[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)OC)c(F)cc1Br	ZINC000757361530	680522847	/nfs/dbraw/zinc/52/28/47/680522847.db2.gz	NVOLVMXSIANKJB-ZETCQYMHSA-N	-1	3	366.208	2.228	20	30		FEEDHM
CNC(=O)Nc1cccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1	ZINC000042620899	540069596	/nfs/dbraw/zinc/06/95/96/540069596.db2.gz	QEBKXPISOZRKLY-UHFFFAOYSA-N	-1	3	367.409	2.186	20	30		FEEDHM
Cc1ccc(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)c([O-])c1	ZINC000045843701	540230866	/nfs/dbraw/zinc/23/08/66/540230866.db2.gz	HZZXSVYKVXKRID-UHFFFAOYSA-N	-1	3	359.407	2.145	20	30		FEEDHM
CN(C)S(=O)(=O)c1ccc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)cc1	ZINC000046441072	540257651	/nfs/dbraw/zinc/25/76/51/540257651.db2.gz	VYUMIVRLOGYVGT-CQSZACIVSA-N	-1	3	368.418	2.303	20	30		FEEDHM
Cc1c(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)n[nH]c1C(F)(F)F	ZINC000050008467	540396843	/nfs/dbraw/zinc/39/68/43/540396843.db2.gz	DOFAEZIKHBAMBB-UHFFFAOYSA-N	-1	3	367.331	2.485	20	30		FEEDHM
N#CC(=C([O-])c1ccoc1)c1nnc(N2CCOCC2)n1-c1ccccc1	ZINC000054728135	540605702	/nfs/dbraw/zinc/60/57/02/540605702.db2.gz	YUZWMGUHWGPBGG-MRXNPFEDSA-N	-1	3	363.377	2.187	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc2c1OCCO2	ZINC000055951453	540689818	/nfs/dbraw/zinc/68/98/18/540689818.db2.gz	ZCFPTWVJSUWFGL-UHFFFAOYSA-N	-1	3	353.378	2.206	20	30		FEEDHM
CCCN(CC#N)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1	ZINC000056485382	540729671	/nfs/dbraw/zinc/72/96/71/540729671.db2.gz	KGQMWGVGTBSNER-UHFFFAOYSA-N	-1	3	364.402	2.330	20	30		FEEDHM
CC(C)[C@@H]([N-]S(=O)(=O)CCCCC#N)c1nc(-c2cccnc2)no1	ZINC000068909581	541640317	/nfs/dbraw/zinc/64/03/17/541640317.db2.gz	XBSKAXZIAKJGAX-CQSZACIVSA-N	-1	3	363.443	2.442	20	30		FEEDHM
CCOC(=O)[C@@]1([N-]S(=O)(=O)CCCCC#N)CCc2ccccc21	ZINC000072994350	541906073	/nfs/dbraw/zinc/90/60/73/541906073.db2.gz	SPWRWPMHJWCDMG-QGZVFWFLSA-N	-1	3	350.440	2.004	20	30		FEEDHM
N#C[C@H]1COCCN1Cc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1	ZINC000081166925	542637405	/nfs/dbraw/zinc/63/74/05/542637405.db2.gz	ZRFJPMFNBHLHEV-ZDUSSCGKSA-N	-1	3	352.419	2.376	20	30		FEEDHM
COc1cc(F)c(S(=O)(=O)[N-]Cc2ccc(C#N)cc2F)cc1OC	ZINC000105621334	543178651	/nfs/dbraw/zinc/17/86/51/543178651.db2.gz	JSQJSMQBNBAOSI-UHFFFAOYSA-N	-1	3	368.361	2.332	20	30		FEEDHM
Cn1c2ccccc2nc1C(C#N)=C([O-])c1cccc(S(C)(=O)=O)c1	ZINC000122263877	543704883	/nfs/dbraw/zinc/70/48/83/543704883.db2.gz	LIELXHIUCZIDEF-CQSZACIVSA-N	-1	3	353.403	2.467	20	30		FEEDHM
COC(=O)[C@@H](C)[C@H]([N-]S(=O)(=O)c1ccccc1C#N)c1ccccc1	ZINC000124433914	543821037	/nfs/dbraw/zinc/82/10/37/543821037.db2.gz	KKHRQZDTSWYHDW-GUYCJALGSA-N	-1	3	358.419	2.387	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@H](C)[C@@H](n2ccnc2)C1	ZINC000126138948	543920586	/nfs/dbraw/zinc/92/05/86/543920586.db2.gz	JEUBICOLXXBKCH-UGSOOPFHSA-N	-1	3	367.453	2.102	20	30		FEEDHM
COC(=O)[C@@H]1CCCCC[C@@H]1[N-]S(=O)(=O)c1ccc(F)cc1C#N	ZINC000126226946	543925222	/nfs/dbraw/zinc/92/52/22/543925222.db2.gz	FBJJKGPZCISEQA-KGLIPLIRSA-N	-1	3	354.403	2.098	20	30		FEEDHM
Cc1[nH]nc2ncc(NC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)cc12	ZINC000126339243	543930525	/nfs/dbraw/zinc/93/05/25/543930525.db2.gz	IVWKQQWMVGIXAN-UHFFFAOYSA-N	-1	3	350.382	2.014	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)[C@@H](O)Cc1ccccc1	ZINC000129214375	544097903	/nfs/dbraw/zinc/09/79/03/544097903.db2.gz	OKRFTQXBHIRLLJ-WBMJQRKESA-N	-1	3	364.854	2.482	20	30		FEEDHM
CCCOc1ccc(/C=N/C[C@H]2CCC[C@H]2NS(C)(=O)=O)c([O-])c1	ZINC000129371563	544108824	/nfs/dbraw/zinc/10/88/24/544108824.db2.gz	IPVRNEBLJFEVPW-LIRJSKHBSA-N	-1	3	354.472	2.318	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]Cc2ccccc2OCCO)c(Cl)c1	ZINC000183724861	327832257	/nfs/dbraw/zinc/83/22/57/327832257.db2.gz	BKBVFGGYWFXZTN-UHFFFAOYSA-N	-1	3	366.826	2.061	20	30		FEEDHM
CCO[C@@H]1C[C@](O)(C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)C1(C)C	ZINC000188474820	328089569	/nfs/dbraw/zinc/08/95/69/328089569.db2.gz	HCVZVEBSUQRYPO-ZBFHGGJFSA-N	-1	3	372.874	2.056	20	30		FEEDHM
CCc1ccc([O-])c(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1	ZINC000191083127	328249069	/nfs/dbraw/zinc/24/90/69/328249069.db2.gz	CERZADPQQMNWPP-GOSISDBHSA-N	-1	3	363.417	2.357	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCn2c3ccccc3nc21	ZINC000192546344	328324883	/nfs/dbraw/zinc/32/48/83/328324883.db2.gz	UFAKUWVAOQNBAA-UHFFFAOYSA-N	-1	3	361.405	2.193	20	30		FEEDHM
COC(=O)c1cc(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)cn1C	ZINC000088547188	325296777	/nfs/dbraw/zinc/29/67/77/325296777.db2.gz	FMRDHBZAFUKAPW-UHFFFAOYSA-N	-1	3	353.787	2.138	20	30		FEEDHM
Cc1cn2c(n1)CC[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)C2	ZINC000090167934	325355617	/nfs/dbraw/zinc/35/56/17/325355617.db2.gz	ZQJVFVSEBZQJGW-LLVKDONJSA-N	-1	3	350.831	2.010	20	30		FEEDHM
Cc1cc([C@@](C)(O)C[N-]S(=O)(=O)c2ccc(F)cc2C#N)c(C)o1	ZINC000121903470	326374892	/nfs/dbraw/zinc/37/48/92/326374892.db2.gz	KDSVRMZCXWWYRX-INIZCTEOSA-N	-1	3	352.387	2.093	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)c1cn(-c2ccccc2)nn1	ZINC000126603099	326491961	/nfs/dbraw/zinc/49/19/61/326491961.db2.gz	QVLBMGJGDUJWKV-LBPRGKRZSA-N	-1	3	371.397	2.318	20	30		FEEDHM
CC(C)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)C(=O)OC(C)(C)C	ZINC000153259598	326728393	/nfs/dbraw/zinc/72/83/93/326728393.db2.gz	FKBPTJRDKLBHOC-CQSZACIVSA-N	-1	3	356.419	2.342	20	30		FEEDHM
N#Cc1cc(F)ccc1S(=O)(=O)[N-]CCc1cnn(-c2ccccc2)c1	ZINC000156316033	326826215	/nfs/dbraw/zinc/82/62/15/326826215.db2.gz	DDQWZUQDHPTFCR-UHFFFAOYSA-N	-1	3	370.409	2.404	20	30		FEEDHM
N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H](O)Cc1ccccc1	ZINC000161061824	326986633	/nfs/dbraw/zinc/98/66/33/326986633.db2.gz	ASVPQIWTXJIIPQ-OAHLLOKOSA-N	-1	3	350.827	2.094	20	30		FEEDHM
Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)CNc2cccc(C#N)c2)c1	ZINC000162907739	327037784	/nfs/dbraw/zinc/03/77/84/327037784.db2.gz	UUPFPBMSGPJMLC-UHFFFAOYSA-N	-1	3	358.423	2.289	20	30		FEEDHM
Cc1ccsc1[C@H](CO)[N-]S(=O)(=O)Cc1cc(C#N)ccc1F	ZINC000164277133	327067714	/nfs/dbraw/zinc/06/77/14/327067714.db2.gz	RFJWLLDYYUCXIT-AWEZNQCLSA-N	-1	3	354.428	2.220	20	30		FEEDHM
COc1ccc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)c([O-])c1	ZINC000171945053	327171912	/nfs/dbraw/zinc/17/19/12/327171912.db2.gz	ZLUJNSCBEUGMEH-UHFFFAOYSA-N	-1	3	353.422	2.476	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)CCc1cccn1C	ZINC000174587540	327336491	/nfs/dbraw/zinc/33/64/91/327336491.db2.gz	XFTNXRMPNVCKFN-ZDUSSCGKSA-N	-1	3	354.454	2.272	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1ccn(C2CCCC2)n1	ZINC000156760604	545657010	/nfs/dbraw/zinc/65/70/10/545657010.db2.gz	ZTFVPXIXQDYCTE-UHFFFAOYSA-N	-1	3	367.453	2.424	20	30		FEEDHM
CC(C)(C)[C@@H]1C[C@H]([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CCO1	ZINC000479404164	561189092	/nfs/dbraw/zinc/18/90/92/561189092.db2.gz	DLKWQHYKBDEWNA-ABAIWWIYSA-N	-1	3	367.427	2.338	20	30		FEEDHM
N#CC1CCN(C(=O)Cc2csc(NC(=O)c3cccc([O-])c3)n2)CC1	ZINC000177402765	546610917	/nfs/dbraw/zinc/61/09/17/546610917.db2.gz	KVOHPDTUJJJKEF-UHFFFAOYSA-N	-1	3	370.434	2.406	20	30		FEEDHM
N#Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccc3c(c2)OCO3)c1	ZINC000177997642	546720245	/nfs/dbraw/zinc/72/02/45/546720245.db2.gz	AXEXUKJORYRWIR-UHFFFAOYSA-N	-1	3	350.783	2.419	20	30		FEEDHM
C=CCOC[C@H]([N-]S(=O)(=O)c1ccc(C(C)(C)C)s1)C(=O)OC	ZINC000481590622	561236872	/nfs/dbraw/zinc/23/68/72/561236872.db2.gz	FYMXOJVFOVOUCS-NSHDSACASA-N	-1	3	361.485	2.068	20	30		FEEDHM
C#C[C@@H](C)NC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl	ZINC000185360865	547975679	/nfs/dbraw/zinc/97/56/79/547975679.db2.gz	PPNRJEVWIUJPHQ-MRVPVSSYSA-N	-1	3	361.250	2.186	20	30		FEEDHM
Cc1csc([C@@H](C)CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)n1	ZINC000186070784	548080196	/nfs/dbraw/zinc/08/01/96/548080196.db2.gz	STTVEBYLQRQPNX-JTQLQIEISA-N	-1	3	358.467	2.481	20	30		FEEDHM
N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CCCN2CCCCCC2=O)c1	ZINC000186220702	548103195	/nfs/dbraw/zinc/10/31/95/548103195.db2.gz	YDTVRQFZHCGUJM-UHFFFAOYSA-N	-1	3	369.874	2.283	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCS[C@@H](C)CC2)ccc1F	ZINC000191937007	548353818	/nfs/dbraw/zinc/35/38/18/548353818.db2.gz	RWOLJQBZMUPAOA-LBPRGKRZSA-N	-1	3	372.487	2.258	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@@]1(C#N)CCC[C@@H](C)C1	ZINC000246872222	549233010	/nfs/dbraw/zinc/23/30/10/549233010.db2.gz	FOSFCQKEMGJEMH-XUJVJEKNSA-N	-1	3	355.485	2.004	20	30		FEEDHM
C=CCn1cccc1C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1[O-]	ZINC000489059087	561402420	/nfs/dbraw/zinc/40/24/20/561402420.db2.gz	RVINIFLIPUZVCM-UHFFFAOYSA-N	-1	3	361.423	2.172	20	30		FEEDHM
CC[C@@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)[C@H](O)C(F)(F)F	ZINC000270805000	550309022	/nfs/dbraw/zinc/30/90/22/550309022.db2.gz	BEADRUMDXFULSB-OCCSQVGLSA-N	-1	3	359.348	2.026	20	30		FEEDHM
C=C(C)C[N-]S(=O)(=O)c1cc(C(=O)OC)c(F)cc1Br	ZINC000275491267	550572430	/nfs/dbraw/zinc/57/24/30/550572430.db2.gz	YMQVVYPAXJAPIL-UHFFFAOYSA-N	-1	3	366.208	2.229	20	30		FEEDHM
COC(=O)c1ccsc1[N-]C(=O)C(=O)N(CCC#N)Cc1ccco1	ZINC000275522597	550572579	/nfs/dbraw/zinc/57/25/79/550572579.db2.gz	KLURQMQQSALRMO-UHFFFAOYSA-N	-1	3	361.379	2.009	20	30		FEEDHM
COC(=O)NCCc1ccc(S(=O)(=O)[N-][C@](C)(C#N)C(C)(C)C)s1	ZINC000276222460	550577470	/nfs/dbraw/zinc/57/74/70/550577470.db2.gz	FYUAWKSLFDCDIL-OAHLLOKOSA-N	-1	3	373.500	2.253	20	30		FEEDHM
CC[C@@H]([N-]S(=O)(=O)c1cccnc1C#N)[C@@H](O)c1c(F)cccc1F	ZINC000276944620	550613903	/nfs/dbraw/zinc/61/39/03/550613903.db2.gz	BCMZPHBRULWZSZ-MLGOLLRUSA-N	-1	3	367.377	2.022	20	30		FEEDHM
N#Cc1ccc(OC2CCC(NC(=O)c3cccc(O)c3[O-])CC2)nc1	ZINC000279789501	550929171	/nfs/dbraw/zinc/92/91/71/550929171.db2.gz	IJHSZSMFGRBLTN-UHFFFAOYSA-N	-1	3	353.378	2.484	20	30		FEEDHM
COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@](C)(C#N)CSC	ZINC000285166917	551714282	/nfs/dbraw/zinc/71/42/82/551714282.db2.gz	SWBXMEBFEXLWPN-CYBMUJFWSA-N	-1	3	362.860	2.050	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCCN(Cc3cccs3)C2)o1	ZINC000286879381	551936043	/nfs/dbraw/zinc/93/60/43/551936043.db2.gz	MTVJUWTWOFDQCQ-CYBMUJFWSA-N	-1	3	365.480	2.403	20	30		FEEDHM
C[C@H](c1ccncc1)N1CCC([N-]S(=O)(=O)c2ccc(C#N)o2)CC1	ZINC000287683746	552034183	/nfs/dbraw/zinc/03/41/83/552034183.db2.gz	DWNSYDDHIMTSGT-CYBMUJFWSA-N	-1	3	360.439	2.050	20	30		FEEDHM
C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2cccc(Br)c2C#N)CCO1	ZINC000287835643	552052843	/nfs/dbraw/zinc/05/28/43/552052843.db2.gz	NWRWEFKEDDXNQX-MNOVXSKESA-N	-1	3	373.272	2.414	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1C#N)[C@H]1CCOC1	ZINC000288236979	552116513	/nfs/dbraw/zinc/11/65/13/552116513.db2.gz	SFIDAWGDWHVEMD-ZJUUUORDSA-N	-1	3	359.245	2.024	20	30		FEEDHM
N#Cc1ccccc1OCCN1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1	ZINC000289511572	552333163	/nfs/dbraw/zinc/33/31/63/552333163.db2.gz	QZOWPOGELCMGFV-ZDUSSCGKSA-N	-1	3	355.360	2.328	20	30		FEEDHM
C=CCn1c(C2CCC2)nnc1N1CCN(C(=O)c2ccccc2[O-])CC1	ZINC000289603922	552348306	/nfs/dbraw/zinc/34/83/06/552348306.db2.gz	ITUUGMMLIZCRJI-UHFFFAOYSA-N	-1	3	367.453	2.400	20	30		FEEDHM
C=CCn1c(C2CC2)nnc1N1CCN(C(=O)c2ccccc2[O-])CC1	ZINC000289616471	552350056	/nfs/dbraw/zinc/35/00/56/552350056.db2.gz	JNBPQXOGCCKVKS-UHFFFAOYSA-N	-1	3	353.426	2.010	20	30		FEEDHM
C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cc([O-])ccc1Cl	ZINC000290294968	552455748	/nfs/dbraw/zinc/45/57/48/552455748.db2.gz	DMPRDAQZADISED-NSHDSACASA-N	-1	3	357.801	2.058	20	30		FEEDHM
CC#CCN(C)C(=O)c1cc(C(C)C)nc2c1c(=O)[n-]c(=O)n2CCC	ZINC000294587575	552918164	/nfs/dbraw/zinc/91/81/64/552918164.db2.gz	PACXJWJZKYAJQI-UHFFFAOYSA-N	-1	3	356.426	2.126	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)NCC2CC(F)(F)C2)ccc1F	ZINC000298216807	553399183	/nfs/dbraw/zinc/39/91/83/553399183.db2.gz	FHPPZXBGMYUPPY-UHFFFAOYSA-N	-1	3	362.373	2.065	20	30		FEEDHM
Cc1cc(C)n(CCCNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)n1	ZINC000299288891	553543029	/nfs/dbraw/zinc/54/30/29/553543029.db2.gz	OEHJYQFEZPNGGV-UHFFFAOYSA-N	-1	3	355.442	2.228	20	30		FEEDHM
C[C@H](CC#N)N(C)S(=O)(=O)[N-][C@H](C)c1nc(C2CCCCC2)no1	ZINC000330410016	554117661	/nfs/dbraw/zinc/11/76/61/554117661.db2.gz	JGJUNCUXALIHDG-VXGBXAGGSA-N	-1	3	355.464	2.247	20	30		FEEDHM
CCN1CCC[C@@H]1C[N-]S(=O)(=O)c1cccc(Br)c1C#N	ZINC000330476665	554126055	/nfs/dbraw/zinc/12/60/55/554126055.db2.gz	LCLFUMVYRRFZKM-LLVKDONJSA-N	-1	3	372.288	2.083	20	30		FEEDHM
CSCC[C@@](C)(C#N)[N-]S(=O)(=O)c1cncc(Br)c1	ZINC000508066819	561749935	/nfs/dbraw/zinc/74/99/35/561749935.db2.gz	FOUYZCJDFIDTTQ-NSHDSACASA-N	-1	3	364.290	2.158	20	30		FEEDHM
N#Cc1c(Br)cccc1S(=O)(=O)[N-]C[C@H]1CCCCO1	ZINC000330659678	554151956	/nfs/dbraw/zinc/15/19/56/554151956.db2.gz	AYYDMZRLUJUNMF-SNVBAGLBSA-N	-1	3	359.245	2.168	20	30		FEEDHM
CCn1c(=O)[n-]c(=O)c2c(C(=O)N[C@H]3CCC[C@H]3C#N)cc(C(C)C)nc21	ZINC000332001327	554361007	/nfs/dbraw/zinc/36/10/07/554361007.db2.gz	WFFIBBWZCIOIHF-AAEUAGOBSA-N	-1	3	369.425	2.062	20	30		FEEDHM
CC#CCCCC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl	ZINC000511963578	561886964	/nfs/dbraw/zinc/88/69/64/561886964.db2.gz	HTLBFRWFMHBYRE-UHFFFAOYSA-N	-1	3	360.838	2.067	20	30		FEEDHM
CCc1cc(C(=O)N2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)ccc1[O-]	ZINC000365888180	555692933	/nfs/dbraw/zinc/69/29/33/555692933.db2.gz	KRYPMACPPFMQSX-QVKFZJNVSA-N	-1	3	361.401	2.440	20	30		FEEDHM
C[C@H](C1CC1)n1[n-]cc/c1=N\C(=O)CN1CCC[C@]2(CCCCO2)[C@H]1C#N	ZINC000369304569	556569228	/nfs/dbraw/zinc/56/92/28/556569228.db2.gz	CYVNJXCYHQKAFI-FKZAVFNSSA-N	-1	3	371.485	2.142	20	30		FEEDHM
C=CCN1CC[C@H](N(C)c2ccc(-c3nc(CC)cc(=O)[n-]3)cn2)C1=O	ZINC000370305311	556835112	/nfs/dbraw/zinc/83/51/12/556835112.db2.gz	IUAKFEGWOAIMNP-HNNXBMFYSA-N	-1	3	353.426	2.030	20	30		FEEDHM
N#Cc1c(Cl)cccc1S(=O)(=O)[N-]Cc1ccnc(-n2cccn2)c1	ZINC000371020881	557047975	/nfs/dbraw/zinc/04/79/75/557047975.db2.gz	ZUNKWZLJUAFWEA-UHFFFAOYSA-N	-1	3	373.825	2.271	20	30		FEEDHM
N#C[C@]1(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)CCc2ccccc2C1	ZINC000371500914	557201863	/nfs/dbraw/zinc/20/18/63/557201863.db2.gz	SLWHEUHHSZLWJQ-FQEVSTJZSA-N	-1	3	358.405	2.182	20	30		FEEDHM
N#C[C@]1(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)CCc2ccccc2C1	ZINC000371500914	557201866	/nfs/dbraw/zinc/20/18/66/557201866.db2.gz	SLWHEUHHSZLWJQ-FQEVSTJZSA-N	-1	3	358.405	2.182	20	30		FEEDHM
CC[C@H]1CN(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C[C@]2(CCOC2)O1	ZINC000377273266	558303170	/nfs/dbraw/zinc/30/31/70/558303170.db2.gz	LWIINJOOJNJXJR-YWZLYKJASA-N	-1	3	373.453	2.005	20	30		FEEDHM
C[C@@H]1C[C@H]([N-]S(=O)(=O)Cc2ccc(C#N)cc2)C(=O)N1c1ccccc1	ZINC000377383467	558330359	/nfs/dbraw/zinc/33/03/59/558330359.db2.gz	IPGJLFRQUCEEAQ-KDOFPFPSSA-N	-1	3	369.446	2.172	20	30		FEEDHM
COC(=O)Cc1n[n-]c(NC(=O)c2ccc(C#Cc3ccccc3)cc2)n1	ZINC000522924117	562206013	/nfs/dbraw/zinc/20/60/13/562206013.db2.gz	VRZGSJCKNPLYNC-UHFFFAOYSA-N	-1	3	360.373	2.172	20	30		FEEDHM
COC(=O)Cc1nnc(NC(=O)c2ccc(C#Cc3ccccc3)cc2)[n-]1	ZINC000522924117	562206014	/nfs/dbraw/zinc/20/60/14/562206014.db2.gz	VRZGSJCKNPLYNC-UHFFFAOYSA-N	-1	3	360.373	2.172	20	30		FEEDHM
COC(=O)Cc1nc(NC(=O)c2ccc(C#Cc3ccccc3)cc2)n[n-]1	ZINC000522924117	562206015	/nfs/dbraw/zinc/20/60/15/562206015.db2.gz	VRZGSJCKNPLYNC-UHFFFAOYSA-N	-1	3	360.373	2.172	20	30		FEEDHM
Cc1cccc(S(=O)(=O)[N-]C2CCN(c3ccc(C#N)cn3)CC2)c1F	ZINC000378616418	558594694	/nfs/dbraw/zinc/59/46/94/558594694.db2.gz	OKRYGWIMETZWGS-UHFFFAOYSA-N	-1	3	374.441	2.348	20	30		FEEDHM
N#Cc1cccc(CS(=O)(=O)[N-][C@H]2COc3cc(F)cc(F)c32)c1	ZINC000378640490	558599172	/nfs/dbraw/zinc/59/91/72/558599172.db2.gz	AYIMYPBXKCXXLS-AWEZNQCLSA-N	-1	3	350.346	2.390	20	30		FEEDHM
C=CCCC[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC	ZINC000398051774	558626274	/nfs/dbraw/zinc/62/62/74/558626274.db2.gz	AZAXZVPGSJOCSB-LLVKDONJSA-N	-1	3	356.400	2.405	20	30		FEEDHM
CCCC[C@H]([N-]S(=O)(=O)N(CC)C[C@H](C)C#N)C(=O)OC(C)(C)C	ZINC000409505002	558698660	/nfs/dbraw/zinc/69/86/60/558698660.db2.gz	WLURYMMBKHZPMQ-KGLIPLIRSA-N	-1	3	361.508	2.203	20	30		FEEDHM
C=CC[C@H](CO)NC(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O	ZINC000410074390	558737435	/nfs/dbraw/zinc/73/74/35/558737435.db2.gz	LBTXEEAWBQNLTB-SECBINFHSA-N	-1	3	356.300	2.094	20	30		FEEDHM
CN1CCN([C@H](CNC(=O)c2ccc(C#N)c([O-])c2)c2cccs2)CC1	ZINC000527196059	562279680	/nfs/dbraw/zinc/27/96/80/562279680.db2.gz	DGJIRAXORZMHDV-MRXNPFEDSA-N	-1	3	370.478	2.044	20	30		FEEDHM
CSc1nc(C2CC2)cc(C(=O)N2CCc3nc[n-]c(=O)c3C2)c1C#N	ZINC000527258590	562282813	/nfs/dbraw/zinc/28/28/13/562282813.db2.gz	LIANNOREJNEAGK-UHFFFAOYSA-N	-1	3	367.434	2.247	20	30		FEEDHM
C[C@]1(CO)CCC[C@@H]1[N-]S(=O)(=O)c1cc(Br)ccc1C#N	ZINC000416405946	559310438	/nfs/dbraw/zinc/31/04/38/559310438.db2.gz	DBWFJUXTFOUBIA-UONOGXRCSA-N	-1	3	373.272	2.150	20	30		FEEDHM
N#Cc1ccc(Br)cc1S(=O)(=O)[N-][C@H](CO)C1CCCC1	ZINC000416485091	559316757	/nfs/dbraw/zinc/31/67/57/559316757.db2.gz	YZTOZBNMRREDFJ-CYBMUJFWSA-N	-1	3	373.272	2.150	20	30		FEEDHM
C[C@H]([N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)c1csnn1	ZINC000416637118	559326684	/nfs/dbraw/zinc/32/66/84/559326684.db2.gz	TUOVJMRNFAJKIP-ZETCQYMHSA-N	-1	3	362.358	2.468	20	30		FEEDHM
CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCCCCCC(=O)[O-])cc1	ZINC000417781096	559376195	/nfs/dbraw/zinc/37/61/95/559376195.db2.gz	XQFRFMFAVASFJY-GFCCVEGCSA-N	-1	3	367.427	2.139	20	30		FEEDHM
COC(=O)[C@H](CNC(=O)c1cccc(C#N)c1C)Cc1ccc([O-])c(F)c1	ZINC000422036705	559562071	/nfs/dbraw/zinc/56/20/71/559562071.db2.gz	JAXLCQWGSBSLHF-HNNXBMFYSA-N	-1	3	370.380	2.473	20	30		FEEDHM
COC(=O)[C@H](CNC(=O)[C@]1(C#N)CC12CCCC2)Cc1ccc([O-])c(F)c1	ZINC000422047226	559562758	/nfs/dbraw/zinc/56/27/58/559562758.db2.gz	UXQAFGVIJGGBDP-VBKZILBWSA-N	-1	3	374.412	2.453	20	30		FEEDHM
N#C[C@H]1CC[C@@H](NC(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)C1	ZINC000425844086	559722420	/nfs/dbraw/zinc/72/24/20/559722420.db2.gz	KWPRBYDHFIAALK-DZGCQCFKSA-N	-1	3	356.426	2.445	20	30		FEEDHM
CCCC(=O)Nc1ccc(C[N-]S(=O)(=O)c2cccnc2C#N)cc1	ZINC000428261574	559772574	/nfs/dbraw/zinc/77/25/74/559772574.db2.gz	DAVXQCDTJAYHCS-UHFFFAOYSA-N	-1	3	358.423	2.170	20	30		FEEDHM
C[C@H](C[N-]S(=O)(=O)c1cccnc1C#N)Oc1ccccc1Cl	ZINC000428372047	559774238	/nfs/dbraw/zinc/77/42/38/559774238.db2.gz	HWTORDIGYXXZFH-LLVKDONJSA-N	-1	3	351.815	2.352	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]Cc2cccc(N3CCCC3=O)c2)s1	ZINC000435421132	559922452	/nfs/dbraw/zinc/92/24/52/559922452.db2.gz	HWQMKEWNJUMXCV-UHFFFAOYSA-N	-1	3	361.448	2.225	20	30		FEEDHM
COC(=O)[C@H](CC1CCCCC1)[N-]S(=O)(=O)c1ccc(C#N)s1	ZINC000435442582	559923234	/nfs/dbraw/zinc/92/32/34/559923234.db2.gz	JLBPEEPWBGOELO-ZDUSSCGKSA-N	-1	3	356.469	2.410	20	30		FEEDHM
C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C#N)s2)C(=O)N1c1ccccc1	ZINC000435439687	559923272	/nfs/dbraw/zinc/92/32/72/559923272.db2.gz	WIWBHCHAXOTIPJ-BXUZGUMPSA-N	-1	3	361.448	2.092	20	30		FEEDHM
CCOC(=O)[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)[C@H](C)CC	ZINC000443305098	560078707	/nfs/dbraw/zinc/07/87/07/560078707.db2.gz	CHNVFUFLBTYZQP-YGRLFVJLSA-N	-1	3	358.847	2.468	20	30		FEEDHM
CC1(C)CCC[C@](O)(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1	ZINC000445757175	560134843	/nfs/dbraw/zinc/13/48/43/560134843.db2.gz	MNJRSILUSYPNAS-MRXNPFEDSA-N	-1	3	367.427	2.076	20	30		FEEDHM
COC(=O)c1ccc(S(=O)(=O)[N-][C@@]2(C#N)CCC[C@@H](C)C2)cc1F	ZINC000446749389	560151181	/nfs/dbraw/zinc/15/11/81/560151181.db2.gz	ALXSYLWITZDUCH-BZNIZROVSA-N	-1	3	354.403	2.363	20	30		FEEDHM
CCCOc1ccc(C(=O)C[N-]S(=O)(=O)CC2(CC#N)CC2)cc1	ZINC000451400087	560304547	/nfs/dbraw/zinc/30/45/47/560304547.db2.gz	JABGULILCADGPD-UHFFFAOYSA-N	-1	3	350.440	2.271	20	30		FEEDHM
C=CCC1(NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)CCCCC1	ZINC000456376637	560518138	/nfs/dbraw/zinc/51/81/38/560518138.db2.gz	FHGAFFLOIUVVRX-UHFFFAOYSA-N	-1	3	370.247	2.107	20	30		FEEDHM
N#CCCN(CCN1CCOCC1)Cc1cccc([O-])c1Br	ZINC000459283700	560677477	/nfs/dbraw/zinc/67/74/77/560677477.db2.gz	RMQUJBIZOMDQIQ-UHFFFAOYSA-N	-1	3	368.275	2.203	20	30		FEEDHM
CO[C@H](CC[N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C(F)(F)F	ZINC000468754253	560937879	/nfs/dbraw/zinc/93/78/79/560937879.db2.gz	AEENHEGUMQPYGT-LLVKDONJSA-N	-1	3	356.753	2.457	20	30		FEEDHM
C=CCn1c(SCC(=O)c2cn(-c3cccc(C)c3)nn2)n[n-]c1=O	ZINC000470836406	560991065	/nfs/dbraw/zinc/99/10/65/560991065.db2.gz	MRRPQXHXADVAPT-UHFFFAOYSA-N	-1	3	356.411	2.034	20	30		FEEDHM
N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CCOc2ncccc2F)c1	ZINC000476418259	561118998	/nfs/dbraw/zinc/11/89/98/561118998.db2.gz	XPYYMRCALQECDS-UHFFFAOYSA-N	-1	3	355.778	2.103	20	30		FEEDHM
N#Cc1ccc(Br)cc1S(=O)(=O)[N-]CC[C@@H]1CCCOC1	ZINC000528453173	562330129	/nfs/dbraw/zinc/33/01/29/562330129.db2.gz	ZCPVHZGUDSIOCS-NSHDSACASA-N	-1	3	373.272	2.416	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H]1c1ccc(=O)[nH]n1	ZINC000530073150	562397113	/nfs/dbraw/zinc/39/71/13/562397113.db2.gz	PFQUUFXPTUEDJC-INIZCTEOSA-N	-1	3	367.409	2.068	20	30		FEEDHM
CC1CC(C#N)(C(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)C1	ZINC000531571601	562450284	/nfs/dbraw/zinc/45/02/84/562450284.db2.gz	CPJJJZOBGXNHLI-UHFFFAOYSA-N	-1	3	351.403	2.145	20	30		FEEDHM
N#CC(=C([O-])c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)c1ccncn1	ZINC000546154467	562634423	/nfs/dbraw/zinc/63/44/23/562634423.db2.gz	YGPOJGUHVONNRX-MRXNPFEDSA-N	-1	3	372.340	2.356	20	30		FEEDHM
CCOC(=O)c1c(CC(C)C)csc1[N-]C(=O)C(=O)N(C)CCC#N	ZINC000549716763	562638213	/nfs/dbraw/zinc/63/82/13/562638213.db2.gz	KWVMDAWUTYBVPA-UHFFFAOYSA-N	-1	3	365.455	2.434	20	30		FEEDHM
C=C(C)C[C@H](NC(=O)Cc1ccc(Br)cc1[O-])C(=O)OC	ZINC000601788114	567841345	/nfs/dbraw/zinc/84/13/45/567841345.db2.gz	QRLJJNLHZNSSBM-LBPRGKRZSA-N	-1	3	356.216	2.321	20	30		FEEDHM
N#Cc1nccnc1NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl	ZINC000568545187	568050104	/nfs/dbraw/zinc/05/01/04/568050104.db2.gz	APTKVWCYBOGHHX-UHFFFAOYSA-N	-1	3	372.237	2.045	20	30		FEEDHM
COC(=O)[C@H](N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccc(C#N)cc1	ZINC000736893515	598879470	/nfs/dbraw/zinc/87/94/70/598879470.db2.gz	DSKVMKOVBGAJQG-YVEFUNNKSA-N	-1	3	362.393	2.303	20	30		FEEDHM
COC(=O)[C@H](N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccc(C#N)cc1	ZINC000736893515	598879471	/nfs/dbraw/zinc/87/94/71/598879471.db2.gz	DSKVMKOVBGAJQG-YVEFUNNKSA-N	-1	3	362.393	2.303	20	30		FEEDHM
C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1	ZINC000736170717	598916190	/nfs/dbraw/zinc/91/61/90/598916190.db2.gz	WFVONKDLSVGEJU-LLVKDONJSA-N	-1	3	359.349	2.016	20	30		FEEDHM
C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1	ZINC000736170717	598916192	/nfs/dbraw/zinc/91/61/92/598916192.db2.gz	WFVONKDLSVGEJU-LLVKDONJSA-N	-1	3	359.349	2.016	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2cnn(Cc3ccccc3)c2)cc1-c1nnn[n-]1	ZINC000737719731	598926360	/nfs/dbraw/zinc/92/63/60/598926360.db2.gz	VCCDPQZWXMUJIC-UHFFFAOYSA-N	-1	3	370.376	2.235	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2cnn(Cc3ccccc3)c2)cc1-c1nn[n-]n1	ZINC000737719731	598926362	/nfs/dbraw/zinc/92/63/62/598926362.db2.gz	VCCDPQZWXMUJIC-UHFFFAOYSA-N	-1	3	370.376	2.235	20	30		FEEDHM
COC(=O)Nc1cccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c1	ZINC000736941141	598928176	/nfs/dbraw/zinc/92/81/76/598928176.db2.gz	YATYRQUXQIAUGW-UHFFFAOYSA-N	-1	3	363.337	2.169	20	30		FEEDHM
COC(=O)Nc1cccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c1	ZINC000736941141	598928178	/nfs/dbraw/zinc/92/81/78/598928178.db2.gz	YATYRQUXQIAUGW-UHFFFAOYSA-N	-1	3	363.337	2.169	20	30		FEEDHM
Cc1c(C(=O)C=Cc2cnc3ccccn23)c(-c2nnn[n-]2)c2n1CCC2	ZINC000737204261	598936918	/nfs/dbraw/zinc/93/69/18/598936918.db2.gz	YOUUQSVDTJJQPL-FPLPWBNLSA-N	-1	3	359.393	2.467	20	30		FEEDHM
Cc1c(C(=O)C=Cc2cnc3ccccn23)c(-c2nn[n-]n2)c2n1CCC2	ZINC000737204261	598936920	/nfs/dbraw/zinc/93/69/20/598936920.db2.gz	YOUUQSVDTJJQPL-FPLPWBNLSA-N	-1	3	359.393	2.467	20	30		FEEDHM
C#Cc1cccc(N(CC)S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)c1	ZINC000735391093	598948300	/nfs/dbraw/zinc/94/83/00/598948300.db2.gz	LIAJLQNTUMRJCM-UHFFFAOYSA-N	-1	3	367.434	2.372	20	30		FEEDHM
C#Cc1cccc(N(CC)S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)c1	ZINC000735391093	598948302	/nfs/dbraw/zinc/94/83/02/598948302.db2.gz	LIAJLQNTUMRJCM-UHFFFAOYSA-N	-1	3	367.434	2.372	20	30		FEEDHM
COc1cc(OC)c(OC)cc1C=NNCc1ccc(-c2nnn[n-]2)cc1	ZINC000821723676	607254581	/nfs/dbraw/zinc/25/45/81/607254581.db2.gz	HOOVQSCYDFBYAU-UHFFFAOYSA-N	-1	3	368.397	2.016	20	30		FEEDHM
COc1cc(OC)c(OC)cc1C=NNCc1ccc(-c2nn[n-]n2)cc1	ZINC000821723676	607254582	/nfs/dbraw/zinc/25/45/82/607254582.db2.gz	HOOVQSCYDFBYAU-UHFFFAOYSA-N	-1	3	368.397	2.016	20	30		FEEDHM
O=C1c2cccc(O)c2CCC1=Cc1cnc2ccc(-c3nnn[n-]3)cn12	ZINC000823503391	599112323	/nfs/dbraw/zinc/11/23/23/599112323.db2.gz	FOWQWYSIRMGVSD-DHZHZOJOSA-N	-1	3	358.361	2.433	20	30		FEEDHM
O=C1c2cccc(O)c2CCC1=Cc1cnc2ccc(-c3nn[n-]n3)cn12	ZINC000823503391	599112325	/nfs/dbraw/zinc/11/23/25/599112325.db2.gz	FOWQWYSIRMGVSD-DHZHZOJOSA-N	-1	3	358.361	2.433	20	30		FEEDHM
N#Cc1ccc(F)c(CNC(=O)CSc2ccc(-c3nnn[n-]3)cc2)c1	ZINC000822825454	599168769	/nfs/dbraw/zinc/16/87/69/599168769.db2.gz	GNJUCOOZIUKOQE-UHFFFAOYSA-N	-1	3	368.397	2.286	20	30		FEEDHM
N#Cc1ccc(F)c(CNC(=O)CSc2ccc(-c3nn[n-]n3)cc2)c1	ZINC000822825454	599168771	/nfs/dbraw/zinc/16/87/71/599168771.db2.gz	GNJUCOOZIUKOQE-UHFFFAOYSA-N	-1	3	368.397	2.286	20	30		FEEDHM
COc1ccc2c(ccn2CC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c1	ZINC000737118176	599198101	/nfs/dbraw/zinc/19/81/01/599198101.db2.gz	BPJUINBLTFYJQZ-UHFFFAOYSA-N	-1	3	373.376	2.340	20	30		FEEDHM
COc1ccc2c(ccn2CC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c1	ZINC000737118176	599198104	/nfs/dbraw/zinc/19/81/04/599198104.db2.gz	BPJUINBLTFYJQZ-UHFFFAOYSA-N	-1	3	373.376	2.340	20	30		FEEDHM
COCCN(C(=O)c1sccc1C#N)c1ccc(-c2nnn[n-]2)cc1	ZINC000736989039	599205096	/nfs/dbraw/zinc/20/50/96/599205096.db2.gz	UOXMFHGYBPYDMU-UHFFFAOYSA-N	-1	3	354.395	2.093	20	30		FEEDHM
COCCN(C(=O)c1sccc1C#N)c1ccc(-c2nn[n-]n2)cc1	ZINC000736989039	599205097	/nfs/dbraw/zinc/20/50/97/599205097.db2.gz	UOXMFHGYBPYDMU-UHFFFAOYSA-N	-1	3	354.395	2.093	20	30		FEEDHM
C=CCOc1ccc(OC(=O)COc2ccc(-c3nn[n-]n3)cc2)cc1	ZINC000819759024	599203489	/nfs/dbraw/zinc/20/34/89/599203489.db2.gz	LIBYFUJMEBRWQY-UHFFFAOYSA-N	-1	3	352.350	2.416	20	30		FEEDHM
N#Cc1c2[nH]c3ccccc3n2c(=O)cc1CN1CCC(C(=O)[O-])CC1	ZINC000740309423	596919528	/nfs/dbraw/zinc/91/95/28/596919528.db2.gz	HHHVDHUIZZQWEZ-CQSZACIVSA-N	-1	3	350.378	2.020	20	30		FEEDHM
C=CCNc1ncc(C(=O)OCCOc2ccccc2-c2nnn[n-]2)s1	ZINC000819751366	607263297	/nfs/dbraw/zinc/26/32/97/607263297.db2.gz	UCDQEMGZBMERGK-UHFFFAOYSA-N	-1	3	372.410	2.157	20	30		FEEDHM
C=CCNc1ncc(C(=O)OCCOc2ccccc2-c2nn[n-]n2)s1	ZINC000819751366	607263298	/nfs/dbraw/zinc/26/32/98/607263298.db2.gz	UCDQEMGZBMERGK-UHFFFAOYSA-N	-1	3	372.410	2.157	20	30		FEEDHM
N#Cc1c2[nH]c3ccccc3n2c(=O)cc1CN1CCC[C@@H](CC(=O)[O-])C1	ZINC000819084402	597079948	/nfs/dbraw/zinc/07/99/48/597079948.db2.gz	POZNJNBNRQSGKZ-DZGCQCFKSA-N	-1	3	364.405	2.410	20	30		FEEDHM
C=CCN(CC=C)C(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1	ZINC000819740341	607297928	/nfs/dbraw/zinc/29/79/28/607297928.db2.gz	YAIUNFCBWOXWEY-UHFFFAOYSA-N	-1	3	354.414	2.176	20	30		FEEDHM
C=CCN(CC=C)C(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1	ZINC000819740341	607297929	/nfs/dbraw/zinc/29/79/29/607297929.db2.gz	YAIUNFCBWOXWEY-UHFFFAOYSA-N	-1	3	354.414	2.176	20	30		FEEDHM
N#CCCCOc1cccnc1NC(=O)Cc1ccc(-c2nnn[n-]2)cc1	ZINC000737687458	598385855	/nfs/dbraw/zinc/38/58/55/598385855.db2.gz	RZAOGHDXTIONEO-UHFFFAOYSA-N	-1	3	363.381	2.125	20	30		FEEDHM
N#CCCCOc1cccnc1NC(=O)Cc1ccc(-c2nn[n-]n2)cc1	ZINC000737687458	598385857	/nfs/dbraw/zinc/38/58/57/598385857.db2.gz	RZAOGHDXTIONEO-UHFFFAOYSA-N	-1	3	363.381	2.125	20	30		FEEDHM
Cc1cccc(N(CCC#N)S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c1	ZINC000737395928	598535099	/nfs/dbraw/zinc/53/50/99/598535099.db2.gz	ICMOWXGKQNSDEM-UHFFFAOYSA-N	-1	3	368.422	2.284	20	30		FEEDHM
Cc1cccc(N(CCC#N)S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c1	ZINC000737395928	598535101	/nfs/dbraw/zinc/53/51/01/598535101.db2.gz	ICMOWXGKQNSDEM-UHFFFAOYSA-N	-1	3	368.422	2.284	20	30		FEEDHM
COC(=O)c1occc1C=CC(=O)c1c(C)n2c(c1-c1nnn[n-]1)CCC2	ZINC000736958115	598640718	/nfs/dbraw/zinc/64/07/18/598640718.db2.gz	ZLLWBNCBZXMTGH-AATRIKPKSA-N	-1	3	367.365	2.199	20	30		FEEDHM
COC(=O)c1occc1C=CC(=O)c1c(C)n2c(c1-c1nn[n-]n1)CCC2	ZINC000736958115	598640719	/nfs/dbraw/zinc/64/07/19/598640719.db2.gz	ZLLWBNCBZXMTGH-AATRIKPKSA-N	-1	3	367.365	2.199	20	30		FEEDHM
N#CC1CCN(C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)CC1	ZINC000737680195	598687093	/nfs/dbraw/zinc/68/70/93/598687093.db2.gz	YNSLKVSTSKJNOV-UHFFFAOYSA-N	-1	3	354.414	2.178	20	30		FEEDHM
N#CC1CCN(C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)CC1	ZINC000737680195	598687095	/nfs/dbraw/zinc/68/70/95/598687095.db2.gz	YNSLKVSTSKJNOV-UHFFFAOYSA-N	-1	3	354.414	2.178	20	30		FEEDHM
N#Cc1ccc(C(=O)N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)cc1	ZINC000737709171	598747349	/nfs/dbraw/zinc/74/73/49/598747349.db2.gz	IUCPZWRAWYFENW-UHFFFAOYSA-N	-1	3	374.404	2.422	20	30		FEEDHM
N#CCCN(Cc1ccccn1)C(=O)CCc1ccc(-c2nnn[n-]2)cc1	ZINC000737694932	598753604	/nfs/dbraw/zinc/75/36/04/598753604.db2.gz	QIGQZTULJYVLLG-UHFFFAOYSA-N	-1	3	361.409	2.137	20	30		FEEDHM
N#CCCN(Cc1ccccn1)C(=O)CCc1ccc(-c2nn[n-]n2)cc1	ZINC000737694932	598753605	/nfs/dbraw/zinc/75/36/05/598753605.db2.gz	QIGQZTULJYVLLG-UHFFFAOYSA-N	-1	3	361.409	2.137	20	30		FEEDHM
Cc1cc2c(cc1C)O[C@@H](C(=O)Nc1ccc(C#N)c(-c3nnn[n-]3)c1)C2	ZINC000822213168	599631357	/nfs/dbraw/zinc/63/13/57/599631357.db2.gz	XCYJNSKXOZUYNI-QGZVFWFLSA-N	-1	3	360.377	2.297	20	30		FEEDHM
Cc1cc2c(cc1C)O[C@@H](C(=O)Nc1ccc(C#N)c(-c3nn[n-]n3)c1)C2	ZINC000822213168	599631358	/nfs/dbraw/zinc/63/13/58/599631358.db2.gz	XCYJNSKXOZUYNI-QGZVFWFLSA-N	-1	3	360.377	2.297	20	30		FEEDHM
Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1nn(C(C)(C)C)cc1C#N	ZINC000826251055	607444194	/nfs/dbraw/zinc/44/41/94/607444194.db2.gz	DARLTOKMMABHKJ-UHFFFAOYSA-N	-1	3	350.386	2.251	20	30		FEEDHM
Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1nn(C(C)(C)C)cc1C#N	ZINC000826251055	607444195	/nfs/dbraw/zinc/44/41/95/607444195.db2.gz	DARLTOKMMABHKJ-UHFFFAOYSA-N	-1	3	350.386	2.251	20	30		FEEDHM
C=C(Br)CNC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1	ZINC000823874261	607452843	/nfs/dbraw/zinc/45/28/43/607452843.db2.gz	USZDSFVXPNBULB-UHFFFAOYSA-N	-1	3	363.219	2.064	20	30		FEEDHM
C=C(Br)CNC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1	ZINC000823874261	607452844	/nfs/dbraw/zinc/45/28/44/607452844.db2.gz	USZDSFVXPNBULB-UHFFFAOYSA-N	-1	3	363.219	2.064	20	30		FEEDHM
COc1cc(CN[C@H](C(=O)[O-])c2cccc(C#N)c2)cc(OC)c1OC	ZINC000831999910	601298418	/nfs/dbraw/zinc/29/84/18/601298418.db2.gz	CLRWLBILZWJQOP-KRWDZBQOSA-N	-1	3	356.378	2.500	20	30		FEEDHM
O=C(COc1cccc(-c2nnn[n-]2)c1)OCC#Cc1cccc(Cl)c1	ZINC000823043687	607505060	/nfs/dbraw/zinc/50/50/60/607505060.db2.gz	FXASCTCBAGDYIO-UHFFFAOYSA-N	-1	3	368.780	2.494	20	30		FEEDHM
O=C(COc1cccc(-c2nn[n-]n2)c1)OCC#Cc1cccc(Cl)c1	ZINC000823043687	607505061	/nfs/dbraw/zinc/50/50/61/607505061.db2.gz	FXASCTCBAGDYIO-UHFFFAOYSA-N	-1	3	368.780	2.494	20	30		FEEDHM
C[C@@H](C(=O)[O-])[C@H](NCC(=O)NCc1cccc(C#N)c1)c1ccccc1	ZINC000826055245	601656831	/nfs/dbraw/zinc/65/68/31/601656831.db2.gz	XIXYKHXYURTCGO-KUHUBIRLSA-N	-1	3	351.406	2.226	20	30		FEEDHM
C=CCCO[C@@H](C)C(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1	ZINC000825676234	601733915	/nfs/dbraw/zinc/73/39/15/601733915.db2.gz	ZSFXOFLLQFUHCN-JXFKEZNVSA-N	-1	3	360.454	2.203	20	30		FEEDHM
C[C@@H](NC(=O)[O-])[C@@H]1CCCCN1CCC(=O)Nc1sccc1C#N	ZINC000739011648	602266186	/nfs/dbraw/zinc/26/61/86/602266186.db2.gz	QJZXROVIEFPKRB-YPMHNXCESA-N	-1	3	350.444	2.459	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cnn2c1CCCC2	ZINC000823914112	607565550	/nfs/dbraw/zinc/56/55/50/607565550.db2.gz	AGJQOGSNLQBJTE-UHFFFAOYSA-N	-1	3	363.425	2.228	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cnn2c1CCCC2	ZINC000823914112	607565552	/nfs/dbraw/zinc/56/55/52/607565552.db2.gz	AGJQOGSNLQBJTE-UHFFFAOYSA-N	-1	3	363.425	2.228	20	30		FEEDHM
C=CCN1CCC(NC(=O)Nc2cccc3c2CCN(C(=O)[O-])C3)CC1	ZINC000738491660	603289732	/nfs/dbraw/zinc/28/97/32/603289732.db2.gz	MILSBZBKWOSYGI-UHFFFAOYSA-N	-1	3	358.442	2.495	20	30		FEEDHM
CN(CC(=O)C(C#N)c1nc2ccccc2s1)[C@@H]1CCN(C(=O)[O-])C1	ZINC000828086218	603533731	/nfs/dbraw/zinc/53/37/31/603533731.db2.gz	QGASMWJAEDVPAK-NEPJUHHUSA-N	-1	3	358.423	2.157	20	30		FEEDHM
CN(C(=O)[O-])[C@@H]1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1	ZINC000827882201	603843982	/nfs/dbraw/zinc/84/39/82/603843982.db2.gz	LTZOZKCQYVQQOC-VXGBXAGGSA-N	-1	3	358.423	2.157	20	30		FEEDHM
C=C(C)CN1CCC(NC(=O)Nc2nc(CCC(=O)[O-])cs2)CC1	ZINC000825642418	604966774	/nfs/dbraw/zinc/96/67/74/604966774.db2.gz	RJYZGEUEOLJEEP-UHFFFAOYSA-N	-1	3	352.460	2.322	20	30		FEEDHM
N#Cc1ccc(N2CC[C@@H](Nc3ccc(F)c(-c4nnn[n-]4)c3)C2=O)cc1	ZINC000822830221	606248858	/nfs/dbraw/zinc/24/88/58/606248858.db2.gz	XNFWZVMMDXYZBG-MRXNPFEDSA-N	-1	3	363.356	2.095	20	30		FEEDHM
N#Cc1ccc(N2CC[C@@H](Nc3ccc(F)c(-c4nn[n-]n4)c3)C2=O)cc1	ZINC000822830221	606248859	/nfs/dbraw/zinc/24/88/59/606248859.db2.gz	XNFWZVMMDXYZBG-MRXNPFEDSA-N	-1	3	363.356	2.095	20	30		FEEDHM
N#C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1ccc(Cl)c(Cl)c1	ZINC000822801307	606322299	/nfs/dbraw/zinc/32/22/99/606322299.db2.gz	GXNJBQUUTZIICO-GFCCVEGCSA-N	-1	3	362.180	2.496	20	30		FEEDHM
N#C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1ccc(Cl)c(Cl)c1	ZINC000822801307	606322301	/nfs/dbraw/zinc/32/23/01/606322301.db2.gz	GXNJBQUUTZIICO-GFCCVEGCSA-N	-1	3	362.180	2.496	20	30		FEEDHM
CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1c(F)cc(C#N)cc1F	ZINC000821613174	606668040	/nfs/dbraw/zinc/66/80/40/606668040.db2.gz	AMVBGIQVSIJYGQ-UHFFFAOYSA-N	-1	3	354.320	2.289	20	30		FEEDHM
CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1c(F)cc(C#N)cc1F	ZINC000821613174	606668041	/nfs/dbraw/zinc/66/80/41/606668041.db2.gz	AMVBGIQVSIJYGQ-UHFFFAOYSA-N	-1	3	354.320	2.289	20	30		FEEDHM
N#Cc1ccc(Cl)cc1OCC(=O)NCc1ccc(-c2nnn[n-]2)cc1	ZINC000822825633	606781703	/nfs/dbraw/zinc/78/17/03/606781703.db2.gz	JFTFFEMXDPDUTO-UHFFFAOYSA-N	-1	3	368.784	2.087	20	30		FEEDHM
N#Cc1ccc(Cl)cc1OCC(=O)NCc1ccc(-c2nn[n-]n2)cc1	ZINC000822825633	606781705	/nfs/dbraw/zinc/78/17/05/606781705.db2.gz	JFTFFEMXDPDUTO-UHFFFAOYSA-N	-1	3	368.784	2.087	20	30		FEEDHM
N#Cc1cccc(S(=O)(=O)Oc2cc(Cl)ccc2-c2nnn[n-]2)c1	ZINC000822837685	606795244	/nfs/dbraw/zinc/79/52/44/606795244.db2.gz	RVJDQUOTAPCFEK-UHFFFAOYSA-N	-1	3	361.770	2.159	20	30		FEEDHM
N#Cc1cccc(S(=O)(=O)Oc2cc(Cl)ccc2-c2nn[n-]n2)c1	ZINC000822837685	606795246	/nfs/dbraw/zinc/79/52/46/606795246.db2.gz	RVJDQUOTAPCFEK-UHFFFAOYSA-N	-1	3	361.770	2.159	20	30		FEEDHM
CN(C(=O)COc1ccc(-c2nn[n-]n2)cc1)c1cc(Cl)ccc1C#N	ZINC000821570902	606962941	/nfs/dbraw/zinc/96/29/41/606962941.db2.gz	QDYVJTKVXZSPKE-UHFFFAOYSA-N	-1	3	368.784	2.434	20	30		FEEDHM
N#Cc1cccc(NC(=O)CNc2ccc(-c3nn[n-]n3)cc2Cl)c1	ZINC000822837646	607125243	/nfs/dbraw/zinc/12/52/43/607125243.db2.gz	QEOPPNMIHICIRJ-UHFFFAOYSA-N	-1	3	353.773	2.442	20	30		FEEDHM
C[C@@H](Oc1ccc(-c2nnn[n-]2)cc1F)C(=O)Nc1cccc(C#N)c1	ZINC000820536456	607134286	/nfs/dbraw/zinc/13/42/86/607134286.db2.gz	UDABHRZFLZGWPV-SNVBAGLBSA-N	-1	3	352.329	2.283	20	30		FEEDHM
C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1F)C(=O)Nc1cccc(C#N)c1	ZINC000820536456	607134287	/nfs/dbraw/zinc/13/42/87/607134287.db2.gz	UDABHRZFLZGWPV-SNVBAGLBSA-N	-1	3	352.329	2.283	20	30		FEEDHM
C[C@H](Oc1ccc(C#N)cc1F)C(=O)Nc1cccc(-c2nnn[n-]2)c1	ZINC000820533022	607134367	/nfs/dbraw/zinc/13/43/67/607134367.db2.gz	AUKFIDYCFSWVHY-JTQLQIEISA-N	-1	3	352.329	2.283	20	30		FEEDHM
C[C@H](Oc1ccc(C#N)cc1F)C(=O)Nc1cccc(-c2nn[n-]n2)c1	ZINC000820533022	607134369	/nfs/dbraw/zinc/13/43/69/607134369.db2.gz	AUKFIDYCFSWVHY-JTQLQIEISA-N	-1	3	352.329	2.283	20	30		FEEDHM
CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1	ZINC000820005626	607237909	/nfs/dbraw/zinc/23/79/09/607237909.db2.gz	UKAIMLGAIONSEX-UHFFFAOYSA-N	-1	3	373.376	2.406	20	30		FEEDHM
CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1	ZINC000820005626	607237910	/nfs/dbraw/zinc/23/79/10/607237910.db2.gz	UKAIMLGAIONSEX-UHFFFAOYSA-N	-1	3	373.376	2.406	20	30		FEEDHM
C=C(C)CNC(=S)Nc1ccc(NC(=O)OCC)c(-c2nnn[n-]2)c1	ZINC000823878370	607783801	/nfs/dbraw/zinc/78/38/01/607783801.db2.gz	WTSBFZCENWIODT-UHFFFAOYSA-N	-1	3	361.431	2.298	20	30		FEEDHM
C=C(C)CNC(=S)Nc1ccc(NC(=O)OCC)c(-c2nn[n-]n2)c1	ZINC000823878370	607783802	/nfs/dbraw/zinc/78/38/02/607783802.db2.gz	WTSBFZCENWIODT-UHFFFAOYSA-N	-1	3	361.431	2.298	20	30		FEEDHM
CCOC(=O)Nc1ccc(NC[C@H](C#N)CCC#N)cc1-c1nnn[n-]1	ZINC000825552656	607784911	/nfs/dbraw/zinc/78/49/11/607784911.db2.gz	CHPXWVNYWXSJBC-NSHDSACASA-N	-1	3	354.374	2.291	20	30		FEEDHM
CCOC(=O)Nc1ccc(NC[C@H](C#N)CCC#N)cc1-c1nn[n-]n1	ZINC000825552656	607784912	/nfs/dbraw/zinc/78/49/12/607784912.db2.gz	CHPXWVNYWXSJBC-NSHDSACASA-N	-1	3	354.374	2.291	20	30		FEEDHM
CCCCCCCCNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC	ZINC000825272293	607859857	/nfs/dbraw/zinc/85/98/57/607859857.db2.gz	ZPVTTXTZBZJHDR-UHFFFAOYSA-N	-1	3	374.445	2.291	20	30		FEEDHM
CCCCCCCCNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC	ZINC000825272293	607859858	/nfs/dbraw/zinc/85/98/58/607859858.db2.gz	ZPVTTXTZBZJHDR-UHFFFAOYSA-N	-1	3	374.445	2.291	20	30		FEEDHM
O=[N+]([O-])c1ccc(N=NCc2ccccc2-c2nnn[n-]2)c([N+](=O)[O-])c1	ZINC000826498623	607882224	/nfs/dbraw/zinc/88/22/24/607882224.db2.gz	CYJXVMAFWZCQJS-UHFFFAOYSA-N	-1	3	354.286	2.129	20	30		FEEDHM
O=[N+]([O-])c1ccc(N=NCc2ccccc2-c2nn[n-]n2)c([N+](=O)[O-])c1	ZINC000826498623	607882225	/nfs/dbraw/zinc/88/22/25/607882225.db2.gz	CYJXVMAFWZCQJS-UHFFFAOYSA-N	-1	3	354.286	2.129	20	30		FEEDHM
C[C@H](Oc1ccccc1C#N)C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21	ZINC000824756938	607947112	/nfs/dbraw/zinc/94/71/12/607947112.db2.gz	SGURKGPKMFSCLW-LBPRGKRZSA-N	-1	3	360.377	2.095	20	30		FEEDHM
C[C@H](Oc1ccccc1C#N)C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21	ZINC000824756938	607947113	/nfs/dbraw/zinc/94/71/13/607947113.db2.gz	SGURKGPKMFSCLW-LBPRGKRZSA-N	-1	3	360.377	2.095	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1csc(NC)n1	ZINC000823915536	608077689	/nfs/dbraw/zinc/07/76/89/608077689.db2.gz	ZNRPHZFYDGDISB-UHFFFAOYSA-N	-1	3	355.427	2.193	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1csc(NC)n1	ZINC000823915536	608077690	/nfs/dbraw/zinc/07/76/90/608077690.db2.gz	ZNRPHZFYDGDISB-UHFFFAOYSA-N	-1	3	355.427	2.193	20	30		FEEDHM
N#CC1(C(=O)N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)CCCCC1	ZINC000826379890	608086270	/nfs/dbraw/zinc/08/62/70/608086270.db2.gz	GFPKPCSXKFWBNT-INIZCTEOSA-N	-1	3	366.425	2.241	20	30		FEEDHM
N#CC1(C(=O)N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)CCCCC1	ZINC000826379890	608086271	/nfs/dbraw/zinc/08/62/71/608086271.db2.gz	GFPKPCSXKFWBNT-INIZCTEOSA-N	-1	3	366.425	2.241	20	30		FEEDHM
COCCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc(C#N)s1	ZINC000826161288	608137014	/nfs/dbraw/zinc/13/70/14/608137014.db2.gz	AHVQRVTXOYPKIQ-UHFFFAOYSA-N	-1	3	370.394	2.077	20	30		FEEDHM
COCCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(C#N)s1	ZINC000826161288	608137015	/nfs/dbraw/zinc/13/70/15/608137015.db2.gz	AHVQRVTXOYPKIQ-UHFFFAOYSA-N	-1	3	370.394	2.077	20	30		FEEDHM
C=CCN(Cc1ccccc1F)C(=O)CNc1ccc(-c2nnn[n-]2)cn1	ZINC000823919972	608220135	/nfs/dbraw/zinc/22/01/35/608220135.db2.gz	VCNAVWLMEJOQPW-UHFFFAOYSA-N	-1	3	367.388	2.028	20	30		FEEDHM
C=CCN(Cc1ccccc1F)C(=O)CNc1ccc(-c2nn[n-]n2)cn1	ZINC000823919972	608220136	/nfs/dbraw/zinc/22/01/36/608220136.db2.gz	VCNAVWLMEJOQPW-UHFFFAOYSA-N	-1	3	367.388	2.028	20	30		FEEDHM
N#Cc1ccc2nc(NCCNc3ccc(-c4nnn[n-]4)cn3)ccc2c1	ZINC000826386763	608222167	/nfs/dbraw/zinc/22/21/67/608222167.db2.gz	RVAWLLMBAQFADW-UHFFFAOYSA-N	-1	3	357.381	2.206	20	30		FEEDHM
N#Cc1ccc2nc(NCCNc3ccc(-c4nn[n-]n4)cn3)ccc2c1	ZINC000826386763	608222168	/nfs/dbraw/zinc/22/21/68/608222168.db2.gz	RVAWLLMBAQFADW-UHFFFAOYSA-N	-1	3	357.381	2.206	20	30		FEEDHM
CCN(Cc1c(-c2nnn[n-]2)c(C)nn1-c1ccccc1)C[C@@H](C)C#N	ZINC000825428484	608311862	/nfs/dbraw/zinc/31/18/62/608311862.db2.gz	OSFDZBAYLADWNJ-ZDUSSCGKSA-N	-1	3	350.430	2.342	20	30		FEEDHM
Cc1nnc(-c2cccc(C#N)c2)n1Cc1cccc(-c2nnn[n-]2)c1F	ZINC000826335703	608397780	/nfs/dbraw/zinc/39/77/80/608397780.db2.gz	YCDYLMDLYXNWNM-UHFFFAOYSA-N	-1	3	360.356	2.493	20	30		FEEDHM
Cc1nnc(-c2cccc(C#N)c2)n1Cc1cccc(-c2nn[n-]n2)c1F	ZINC000826335703	608397781	/nfs/dbraw/zinc/39/77/81/608397781.db2.gz	YCDYLMDLYXNWNM-UHFFFAOYSA-N	-1	3	360.356	2.493	20	30		FEEDHM
C[C@@H](Oc1ccc(C#N)cc1)C(=O)OCc1cccc(-c2nnn[n-]2)c1F	ZINC000824738247	608437691	/nfs/dbraw/zinc/43/76/91/608437691.db2.gz	NUMUWIYHEIMANB-LLVKDONJSA-N	-1	3	367.340	2.388	20	30		FEEDHM
C[C@@H](Oc1ccc(C#N)cc1)C(=O)OCc1cccc(-c2nn[n-]n2)c1F	ZINC000824738247	608437692	/nfs/dbraw/zinc/43/76/92/608437692.db2.gz	NUMUWIYHEIMANB-LLVKDONJSA-N	-1	3	367.340	2.388	20	30		FEEDHM
C=CCOc1cccnc1C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1	ZINC000823932167	608538851	/nfs/dbraw/zinc/53/88/51/608538851.db2.gz	RFAPUOCJRDLXRZ-LBPRGKRZSA-N	-1	3	350.382	2.318	20	30		FEEDHM
C=CCOc1cccnc1C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1	ZINC000823932167	608538852	/nfs/dbraw/zinc/53/88/52/608538852.db2.gz	RFAPUOCJRDLXRZ-LBPRGKRZSA-N	-1	3	350.382	2.318	20	30		FEEDHM
Clc1cc(-c2nnn[n-]2)cc(N=NCc2cnc3ccccc3n2)n1	ZINC000826351070	608539951	/nfs/dbraw/zinc/53/99/51/608539951.db2.gz	WGGDSSQJLDMBFZ-UHFFFAOYSA-N	-1	3	351.761	2.304	20	30		FEEDHM
Clc1cc(-c2nn[n-]n2)cc(N=NCc2cnc3ccccc3n2)n1	ZINC000826351070	608539952	/nfs/dbraw/zinc/53/99/52/608539952.db2.gz	WGGDSSQJLDMBFZ-UHFFFAOYSA-N	-1	3	351.761	2.304	20	30		FEEDHM
C=CCN(Cc1c(C)nn(C)c1N(C)C)Cc1cccc(-c2nn[n-]n2)c1	ZINC000823914156	608631373	/nfs/dbraw/zinc/63/13/73/608631373.db2.gz	BSIYMGBYUQCKSX-UHFFFAOYSA-N	-1	3	366.473	2.163	20	30		FEEDHM
Cc1nnc(SCC(=O)c2cccc(C#N)c2)c(-c2nnn[n-]2)c1C	ZINC000826336597	609306017	/nfs/dbraw/zinc/30/60/17/609306017.db2.gz	FJJRRPMUJVJBFY-UHFFFAOYSA-N	-1	3	351.395	2.120	20	30		FEEDHM
Cc1nnc(SCC(=O)c2cccc(C#N)c2)c(-c2nn[n-]n2)c1C	ZINC000826336597	609306019	/nfs/dbraw/zinc/30/60/19/609306019.db2.gz	FJJRRPMUJVJBFY-UHFFFAOYSA-N	-1	3	351.395	2.120	20	30		FEEDHM
N#Cc1cc(-c2nnn[n-]2)c(SCc2ccc3c(c2)COC3)nc1N	ZINC000826383819	609308515	/nfs/dbraw/zinc/30/85/15/609308515.db2.gz	RRHZWHGUFLXEGV-UHFFFAOYSA-N	-1	3	351.395	2.038	20	30		FEEDHM
N#Cc1cc(-c2nn[n-]n2)c(SCc2ccc3c(c2)COC3)nc1N	ZINC000826383819	609308517	/nfs/dbraw/zinc/30/85/17/609308517.db2.gz	RRHZWHGUFLXEGV-UHFFFAOYSA-N	-1	3	351.395	2.038	20	30		FEEDHM
CC(C)(C#N)C(=O)OCc1ccc(-c2nnn[n-]2)cc1Br	ZINC000824058783	609342142	/nfs/dbraw/zinc/34/21/42/609342142.db2.gz	BWUDHVOAZGRQGA-UHFFFAOYSA-N	-1	3	350.176	2.222	20	30		FEEDHM
CC(C)(C#N)C(=O)OCc1ccc(-c2nn[n-]n2)cc1Br	ZINC000824058783	609342143	/nfs/dbraw/zinc/34/21/43/609342143.db2.gz	BWUDHVOAZGRQGA-UHFFFAOYSA-N	-1	3	350.176	2.222	20	30		FEEDHM
N#C[C@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1c(Cl)cccc1Cl	ZINC000826380153	609456912	/nfs/dbraw/zinc/45/69/12/609456912.db2.gz	PGQSGQJDPDHAEO-NSHDSACASA-N	-1	3	362.180	2.496	20	30		FEEDHM
N#C[C@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1c(Cl)cccc1Cl	ZINC000826380153	609456914	/nfs/dbraw/zinc/45/69/14/609456914.db2.gz	PGQSGQJDPDHAEO-NSHDSACASA-N	-1	3	362.180	2.496	20	30		FEEDHM
C[C@H](C#N)Oc1ccccc1NCC(=O)Nc1ccc(-c2nnn[n-]2)cc1	ZINC000824035004	609512220	/nfs/dbraw/zinc/51/22/20/609512220.db2.gz	RLJMEWAKRWDCJV-GFCCVEGCSA-N	-1	3	363.381	2.208	20	30		FEEDHM
C[C@H](C#N)Oc1ccccc1NCC(=O)Nc1ccc(-c2nn[n-]n2)cc1	ZINC000824035004	609512221	/nfs/dbraw/zinc/51/22/21/609512221.db2.gz	RLJMEWAKRWDCJV-GFCCVEGCSA-N	-1	3	363.381	2.208	20	30		FEEDHM
COc1ccccc1CCCSc1nc(N)c(C#N)cc1-c1nnn[n-]1	ZINC000826219693	609512781	/nfs/dbraw/zinc/51/27/81/609512781.db2.gz	MPRYADIOXPZFSN-UHFFFAOYSA-N	-1	3	367.438	2.449	20	30		FEEDHM
COc1ccccc1CCCSc1nc(N)c(C#N)cc1-c1nn[n-]n1	ZINC000826219693	609512784	/nfs/dbraw/zinc/51/27/84/609512784.db2.gz	MPRYADIOXPZFSN-UHFFFAOYSA-N	-1	3	367.438	2.449	20	30		FEEDHM
C#C[C@@H]([N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)OC)c1ccc(F)cc1	ZINC000812527063	674682992	/nfs/dbraw/zinc/68/29/92/674682992.db2.gz	WPTUCGNNAVHMPP-CQSZACIVSA-N	-1	3	365.382	2.475	20	30		FEEDHM
O=C(N[C@H]1CCN([O-])C1=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1	ZINC000816690758	675073432	/nfs/dbraw/zinc/07/34/32/675073432.db2.gz	BRGPDUPMXIEJNW-AWEZNQCLSA-N	-1	3	350.296	2.491	20	30		FEEDHM
O=C(N[C@H]1CCN([O-])C1=O)c1ccccc1C(=O)c1ccc(Cl)cc1	ZINC000816694262	675073826	/nfs/dbraw/zinc/07/38/26/675073826.db2.gz	BUEXDAAFDFHVHI-HNNXBMFYSA-N	-1	3	358.781	2.291	20	30		FEEDHM
O=C(N[C@@H]1CCCN([O-])C1=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1	ZINC000816755930	675077771	/nfs/dbraw/zinc/07/77/71/675077771.db2.gz	LXTZLHQPKOGLPL-CYBMUJFWSA-N	-1	3	369.208	2.289	20	30		FEEDHM
Cn1c(C(=O)N[C@@H]2CCCN([O-])C2=O)cc2cc(C(F)(F)F)ccc21	ZINC000816759098	675077881	/nfs/dbraw/zinc/07/78/81/675077881.db2.gz	FACCTILTVUUQKR-LLVKDONJSA-N	-1	3	355.316	2.307	20	30		FEEDHM
COc1cc(C(=O)N[C@@H]2CCCN([O-])C2=O)ccc1OCCC(C)C	ZINC000816757592	675078226	/nfs/dbraw/zinc/07/82/26/675078226.db2.gz	WMYMTQZVOXDVLO-CQSZACIVSA-N	-1	3	350.415	2.230	20	30		FEEDHM
Cc1ccc(O[C@H](C)C(=O)N[C@H]2CCCN([O-])C2=O)c(Br)c1	ZINC000816759772	675078364	/nfs/dbraw/zinc/07/83/64/675078364.db2.gz	UQZBPBIEQXRGBF-PWSUYJOCSA-N	-1	3	371.231	2.021	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)NCCc2cccs2)ccc1F	ZINC000045315237	670202862	/nfs/dbraw/zinc/20/28/62/670202862.db2.gz	OWZDTWHNNLTRJF-UHFFFAOYSA-N	-1	3	368.455	2.324	20	30		FEEDHM
Cc1oc(C([O-])=C(C#N)c2ccccn2)cc1S(=O)(=O)N1CCCC1	ZINC000049458760	670277853	/nfs/dbraw/zinc/27/78/53/670277853.db2.gz	ZWDUFKXVHXJUSY-ZDUSSCGKSA-N	-1	3	359.407	2.258	20	30		FEEDHM
COC[C@@H]([N-]S(=O)(=O)c1cccnc1C#N)c1cccc(Cl)c1	ZINC000566032237	675168608	/nfs/dbraw/zinc/16/86/08/675168608.db2.gz	ZFYMXLGHSIQJQN-CQSZACIVSA-N	-1	3	351.815	2.273	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]c2cc(Br)c[nH]c2=O)c(F)c1	ZINC000575662530	671315778	/nfs/dbraw/zinc/31/57/78/671315778.db2.gz	QCQMLWHBZZIUGI-UHFFFAOYSA-N	-1	3	372.175	2.361	20	30		FEEDHM
N#Cc1ccc(N2CCC[C@@H]2C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1	ZINC000609112258	675910610	/nfs/dbraw/zinc/91/06/10/675910610.db2.gz	GEGFZYZSQPMABS-LLVKDONJSA-N	-1	3	350.304	2.303	20	30		FEEDHM
N#Cc1ccc(N2CCC[C@@H]2C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1	ZINC000609112258	675910611	/nfs/dbraw/zinc/91/06/11/675910611.db2.gz	GEGFZYZSQPMABS-LLVKDONJSA-N	-1	3	350.304	2.303	20	30		FEEDHM
CC(C)(C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)C(F)(F)F	ZINC000581203340	671873439	/nfs/dbraw/zinc/87/34/39/671873439.db2.gz	JBSLJFRKFVAGEI-UHFFFAOYSA-N	-1	3	351.306	2.333	20	30		FEEDHM
C#CCSCC[N-]S(=O)(=O)c1cc(Br)ccc1F	ZINC000151713427	672167990	/nfs/dbraw/zinc/16/79/90/672167990.db2.gz	WDDDGEVVPIRATF-UHFFFAOYSA-N	-1	3	352.250	2.233	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-][C@H]2CC[C@](O)(C(F)(F)F)C2)c(Cl)c1	ZINC000589921900	672547462	/nfs/dbraw/zinc/54/74/62/672547462.db2.gz	CPGJZHNVERFMCF-JOYOIKCWSA-N	-1	3	368.764	2.336	20	30		FEEDHM
CCc1cc(C#N)c([N-]C(=O)c2cc3c(s2)n(C)c(=O)n(C)c3=O)s1	ZINC000590979935	672638767	/nfs/dbraw/zinc/63/87/67/672638767.db2.gz	ONWMHURJFNOQEP-UHFFFAOYSA-N	-1	3	374.447	2.047	20	30		FEEDHM
N#Cc1cc(S(=O)(=O)[N-][C@@H](C[C@@H]2CCCO2)C(F)(F)F)ccc1F	ZINC000594488731	673091876	/nfs/dbraw/zinc/09/18/76/673091876.db2.gz	VICLQAAMSUFHJQ-GWCFXTLKSA-N	-1	3	366.336	2.476	20	30		FEEDHM
C=CCOCCC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000594850076	673162604	/nfs/dbraw/zinc/16/26/04/673162604.db2.gz	KPPQRQITKLVUJA-UHFFFAOYSA-N	-1	3	368.333	2.485	20	30		FEEDHM
N#CCCCOC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1	ZINC000728726776	673209849	/nfs/dbraw/zinc/20/98/49/673209849.db2.gz	WPVBCLRCUFDVGQ-UHFFFAOYSA-N	-1	3	351.359	2.415	20	30		FEEDHM
C=CCN(C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1)C1CC1	ZINC000537928364	673414333	/nfs/dbraw/zinc/41/43/33/673414333.db2.gz	OBKBYTMXUWWLRB-UHFFFAOYSA-N	-1	3	363.892	2.040	20	30		FEEDHM
Cc1ccnc(NCC[N-]S(=O)(=O)c2ccc(Cl)s2)c1C#N	ZINC000543136497	673627211	/nfs/dbraw/zinc/62/72/11/673627211.db2.gz	XIPAMJLYNKALHB-UHFFFAOYSA-N	-1	3	356.860	2.367	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(-c2nc(CCCCOC)no2)ccc1F	ZINC000544686285	673726535	/nfs/dbraw/zinc/72/65/35/673726535.db2.gz	MBASMGGMOPZYHZ-UHFFFAOYSA-N	-1	3	369.418	2.309	20	30		FEEDHM
CC(C)[C@@H](C)N(C)C(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000742522705	673729692	/nfs/dbraw/zinc/72/96/92/673729692.db2.gz	BXHYPOLNXUHKPQ-CHWSQXEVSA-N	-1	3	351.472	2.007	20	30		FEEDHM
CCNc1ccc(C#N)cc1[N-]S(=O)(=O)CC1(OCC)CCOCC1	ZINC000600650865	673785822	/nfs/dbraw/zinc/78/58/22/673785822.db2.gz	QZBPOSHFJCZYCH-UHFFFAOYSA-N	-1	3	367.471	2.317	20	30		FEEDHM
CCOC(=O)[C@@H](Cc1cccc(Cl)c1)[N-]S(=O)(=O)CCCC#N	ZINC000546059400	673789752	/nfs/dbraw/zinc/78/97/52/673789752.db2.gz	ZPCYQNWCZBUAPT-CQSZACIVSA-N	-1	3	358.847	2.037	20	30		FEEDHM
C=CCNC(=O)c1cccc(S(=O)(=O)[N-]C2(C(F)(F)F)CCC2)c1	ZINC000546880329	673824640	/nfs/dbraw/zinc/82/46/40/673824640.db2.gz	OUSSJCOGJWKZJL-UHFFFAOYSA-N	-1	3	362.373	2.366	20	30		FEEDHM
CC(C)[C@H]([N-]S(=O)(=O)Cc1ccc(F)cc1C#N)[C@H](O)C(F)(F)F	ZINC000601409938	673857498	/nfs/dbraw/zinc/85/74/98/673857498.db2.gz	AKRBBXFWUDJVSF-STQMWFEESA-N	-1	3	368.352	2.065	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCO[C@H](C(F)F)CC1	ZINC000601804421	673898165	/nfs/dbraw/zinc/89/81/65/673898165.db2.gz	VPFKQVHHRODSHF-AWEZNQCLSA-N	-1	3	353.369	2.091	20	30		FEEDHM
CC(C)C[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N1CCC1(C)C	ZINC000747399362	673926503	/nfs/dbraw/zinc/92/65/03/673926503.db2.gz	FTDFMGKZDUBEDP-CQSZACIVSA-N	-1	3	363.483	2.151	20	30		FEEDHM
O=C(N[C@H]1CCN([O-])C1=O)C1(c2cccc(Br)c2)CCCC1	ZINC000820156528	675340086	/nfs/dbraw/zinc/34/00/86/675340086.db2.gz	KSSWIIYRJXRGKG-ZDUSSCGKSA-N	-1	3	367.243	2.367	20	30		FEEDHM
CC[C@@H](Cc1ccccc1Br)C(=O)N[C@H]1CCN([O-])C1=O	ZINC000820186564	675342099	/nfs/dbraw/zinc/34/20/99/675342099.db2.gz	ZKGFJCFYJFEERW-GWCFXTLKSA-N	-1	3	355.232	2.124	20	30		FEEDHM
COc1cc(C(=O)N[C@@H]2CCCN([O-])C2=O)cc(Cl)c1OCC(C)C	ZINC000820482459	675365353	/nfs/dbraw/zinc/36/53/53/675365353.db2.gz	KIWGUAOLEFNCKN-CYBMUJFWSA-N	-1	3	370.833	2.493	20	30		FEEDHM
N#CC1(NS(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)CCCCC1	ZINC000826379741	675687293	/nfs/dbraw/zinc/68/72/93/675687293.db2.gz	ABHDDHNTEKWRLS-UHFFFAOYSA-N	-1	3	366.834	2.025	20	30		FEEDHM
N#CC1(NS(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)CCCCC1	ZINC000826379741	675687295	/nfs/dbraw/zinc/68/72/95/675687295.db2.gz	ABHDDHNTEKWRLS-UHFFFAOYSA-N	-1	3	366.834	2.025	20	30		FEEDHM
CC[C@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2ccc(C#N)cc2F)n[nH]1	ZINC000616980269	676264745	/nfs/dbraw/zinc/26/47/45/676264745.db2.gz	JKHWBAJCKITQRI-VHSXEESVSA-N	-1	3	351.407	2.368	20	30		FEEDHM
CC(=O)c1ccc(C(=O)N2CCN(c3ccsc3C#N)CC2)cc1[O-]	ZINC000617461243	676286831	/nfs/dbraw/zinc/28/68/31/676286831.db2.gz	RIBWXPVRSBYKLU-UHFFFAOYSA-N	-1	3	355.419	2.490	20	30		FEEDHM
C=C(C)COc1cccc([N-]S(=O)(=O)C[C@H](OC)[C@H]2CCOC2)c1	ZINC000656620775	677786417	/nfs/dbraw/zinc/78/64/17/677786417.db2.gz	GVKAECLJMOSWIQ-YOEHRIQHSA-N	-1	3	355.456	2.435	20	30		FEEDHM
COc1cc(C(C)=N[N-]S(=O)(=O)Cc2ccccc2)c(OC)cc1O	ZINC000763161986	680774806	/nfs/dbraw/zinc/77/48/06/680774806.db2.gz	JJECAGFINZYJHW-UHFFFAOYSA-N	-1	3	364.423	2.253	20	30		FEEDHM
C#CCN(C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)C1CC1	ZINC000764446728	680809488	/nfs/dbraw/zinc/80/94/88/680809488.db2.gz	JEBHGVRMOMCRJG-UHFFFAOYSA-N	-1	3	361.398	2.192	20	30		FEEDHM
CN1c2ccccc2C(C)(C)C1=CC(=O)Cn1cc(Cl)c(=O)[n-]c1=O	ZINC000754279106	680347424	/nfs/dbraw/zinc/34/74/24/680347424.db2.gz	KJOTTYDDATUWFB-OVCLIPMQSA-N	-1	3	359.813	2.483	20	30		FEEDHM
C=CC(C)(C)COC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000835724145	680374061	/nfs/dbraw/zinc/37/40/61/680374061.db2.gz	GFALVYYQBUGHRV-LBPRGKRZSA-N	-1	3	350.440	2.259	20	30		FEEDHM
CC[C@]1(C)CCN(C(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)C1	ZINC000758665449	680600552	/nfs/dbraw/zinc/60/05/52/680600552.db2.gz	HANAYBSEHGXCJT-FZKQIMNGSA-N	-1	3	363.483	2.152	20	30		FEEDHM
C=CCN1CC[C@H](OC(=O)c2cc(Br)c(F)cc2[O-])C1=O	ZINC000837779789	680647986	/nfs/dbraw/zinc/64/79/86/680647986.db2.gz	GRSSCFFVERYGNG-LBPRGKRZSA-N	-1	3	358.163	2.238	20	30		FEEDHM
C#CCC(C)(C)COC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000760276706	680681251	/nfs/dbraw/zinc/68/12/51/680681251.db2.gz	SDEQHBCXINLIGG-ZDUSSCGKSA-N	-1	3	362.451	2.096	20	30		FEEDHM
COC(=O)c1ccc(C(C)=N[N-]S(=O)(=O)CCc2ccccc2)cc1	ZINC000767789166	680926413	/nfs/dbraw/zinc/92/64/13/680926413.db2.gz	VJLATCOZPRJEGA-UHFFFAOYSA-N	-1	3	360.435	2.359	20	30		FEEDHM
CCC[C@H](C#N)[N-]C(=O)C(F)(F)c1ccc(OCC(=O)N(C)C)cc1	ZINC000769437879	680983003	/nfs/dbraw/zinc/98/30/03/680983003.db2.gz	WUSDMVWGDNCHJE-CYBMUJFWSA-N	-1	3	353.369	2.054	20	30		FEEDHM
C#C[C@@H]([N-]S(=O)(=O)c1sc(C)cc1Br)[C@@H]1CCCO1	ZINC000773056058	681123065	/nfs/dbraw/zinc/12/30/65/681123065.db2.gz	LUOJHJOKDKEQPK-MNOVXSKESA-N	-1	3	364.286	2.278	20	30		FEEDHM
C#C[C@@H]([N-]S(=O)(=O)c1cc(C)c(Br)s1)[C@@H]1CCCO1	ZINC000773057085	681123193	/nfs/dbraw/zinc/12/31/93/681123193.db2.gz	NZKOCZHECSTIAJ-ZJUUUORDSA-N	-1	3	364.286	2.278	20	30		FEEDHM
C=C[C@@H](C)O[N-]C(=O)CCc1ccc(S(=O)(=O)N(CC)CC)cc1	ZINC000846544086	681258306	/nfs/dbraw/zinc/25/83/06/681258306.db2.gz	UNOKWSQZJPTDDH-CQSZACIVSA-N	-1	3	354.472	2.272	20	30		FEEDHM
O=C(N[C@@H]1CCCN([O-])C1=O)c1cc2c(cncc2Br)s1	ZINC000848130180	681477669	/nfs/dbraw/zinc/47/76/69/681477669.db2.gz	GJFVGMRVQXZULV-SECBINFHSA-N	-1	3	370.228	2.169	20	30		FEEDHM
O=C(N[C@@H]1CCCN([O-])C1=O)NC1(C(F)(F)F)CCC(F)(F)CC1	ZINC000934545146	681587264	/nfs/dbraw/zinc/58/72/64/681587264.db2.gz	NSTDUQOGLXJMOC-MRVPVSSYSA-N	-1	3	359.295	2.176	20	30		FEEDHM
CC[C@H]1C[C@@H](C=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CCO1	ZINC000779771152	681751785	/nfs/dbraw/zinc/75/17/85/681751785.db2.gz	JRTPGLVJHSVGIG-ZFWWWQNUSA-N	-1	3	355.416	2.205	20	30		FEEDHM
COC(=O)c1ccc(F)c(S(=O)(=O)[N-]CC2(C#N)CCCCC2)c1	ZINC000849473542	681753249	/nfs/dbraw/zinc/75/32/49/681753249.db2.gz	LTAQCUMHANSASE-UHFFFAOYSA-N	-1	3	354.403	2.365	20	30		FEEDHM
O=C(Cn1nc(C(F)F)cc1C(F)F)NCc1nc(C(F)(F)F)n[n-]1	ZINC000935467033	681756797	/nfs/dbraw/zinc/75/67/97/681756797.db2.gz	WBDGNTSBXLWWPB-UHFFFAOYSA-N	-1	3	374.220	2.212	20	30		FEEDHM
C[C@H](CC(=O)NCC1CC(C)(C)C1)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000781116620	681903453	/nfs/dbraw/zinc/90/34/53/681903453.db2.gz	CWAGRRXEGFQIRG-GFCCVEGCSA-N	-1	3	363.483	2.056	20	30		FEEDHM
C[C@H](CC(=O)OCC1CC(C)C1)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000851463158	682069204	/nfs/dbraw/zinc/06/92/04/682069204.db2.gz	LOZWHFRIIPLAOX-OTTFEQOBSA-N	-1	3	350.440	2.093	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)OC[C@H]2CC[C@@H](C)O2)ccc1F	ZINC000789017128	682573823	/nfs/dbraw/zinc/57/38/23/682573823.db2.gz	AYJKTLLASAQTPL-DGCLKSJQSA-N	-1	3	357.403	2.014	20	30		FEEDHM
C=CCCSCCNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1	ZINC000855383712	682663864	/nfs/dbraw/zinc/66/38/64/682663864.db2.gz	HEORNYVAKMHLRB-UHFFFAOYSA-N	-1	3	372.487	2.306	20	30		FEEDHM
COc1ccc(CS(C)(=O)=O)cc1N=Cc1ccc(O)c([O-])c1O	ZINC000794677610	682989317	/nfs/dbraw/zinc/98/93/17/682989317.db2.gz	WGOMYAHOVJFCGB-UHFFFAOYSA-N	-1	3	351.380	2.107	20	30		FEEDHM
C#CC[C@@H](COC)[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)OC	ZINC000859427883	683108171	/nfs/dbraw/zinc/10/81/71/683108171.db2.gz	PRNVOVKHJAVFSE-NSHDSACASA-N	-1	3	367.448	2.005	20	30		FEEDHM
C[C@H](C#N)COC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1	ZINC000796777914	683194935	/nfs/dbraw/zinc/19/49/35/683194935.db2.gz	RMJIJDAMFWJKOU-MRVPVSSYSA-N	-1	3	350.318	2.393	20	30		FEEDHM
CCC(CC)COC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000798893999	683402260	/nfs/dbraw/zinc/40/22/60/683402260.db2.gz	WJQQBJYGZWYKIR-GFCCVEGCSA-N	-1	3	352.456	2.483	20	30		FEEDHM
C#C[C@H](NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)C(C)C	ZINC000799045006	683417241	/nfs/dbraw/zinc/41/72/41/683417241.db2.gz	XOWTYKWWAJAOOC-AWEZNQCLSA-N	-1	3	363.414	2.342	20	30		FEEDHM
C=CCCC[C@@H]([N-]S(=O)(=O)Cc1ccc(F)cc1C#N)C(=O)OC	ZINC000921383373	683448535	/nfs/dbraw/zinc/44/85/35/683448535.db2.gz	VMXJSGBIMJLLCL-OAHLLOKOSA-N	-1	3	354.403	2.015	20	30		FEEDHM
C=CCCC[C@@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)C(=O)OC	ZINC000921383607	683448776	/nfs/dbraw/zinc/44/87/76/683448776.db2.gz	ZMSMCYQWJYCJRA-SNVBAGLBSA-N	-1	3	366.361	2.277	20	30		FEEDHM
CN(C)[C@@H](CC[N-]S(=O)(=O)c1cccc(Cl)c1C#N)C(F)(F)F	ZINC000921636835	683528288	/nfs/dbraw/zinc/52/82/88/683528288.db2.gz	ULSZKZZGDMJEGN-LBPRGKRZSA-N	-1	3	369.796	2.373	20	30		FEEDHM
C=C(Cl)C[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)C(=O)OCC	ZINC000867592150	684324525	/nfs/dbraw/zinc/32/45/25/684324525.db2.gz	RDTWDOMRCCCWCH-LBPRGKRZSA-N	-1	3	360.794	2.050	20	30		FEEDHM
C#CCCNC(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21	ZINC000868252900	684470903	/nfs/dbraw/zinc/47/09/03/684470903.db2.gz	NAISMXWLRUPRES-GFCCVEGCSA-N	-1	3	353.344	2.392	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)NCC[C@H]2CCSC2)ccc1F	ZINC000869608223	684635250	/nfs/dbraw/zinc/63/52/50/684635250.db2.gz	VQGPXISIIPNKIM-LBPRGKRZSA-N	-1	3	372.487	2.163	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)NCC[C@H]2CCCS2)ccc1F	ZINC000871030067	684781308	/nfs/dbraw/zinc/78/13/08/684781308.db2.gz	VSUWSZPKCHAXKT-CYBMUJFWSA-N	-1	3	372.487	2.306	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCC(C)(F)CC2)ccc1F	ZINC000871073928	684784569	/nfs/dbraw/zinc/78/45/69/684784569.db2.gz	AYVSOIQNTVTSMJ-UHFFFAOYSA-N	-1	3	358.410	2.254	20	30		FEEDHM
COC(=O)[C@@H]([N-]S(=O)(=O)CCCC#N)c1cccc(C(F)(F)F)c1	ZINC000872543487	684975015	/nfs/dbraw/zinc/97/50/15/684975015.db2.gz	OBAQMOAZDNKWDA-LBPRGKRZSA-N	-1	3	364.345	2.143	20	30		FEEDHM
C#CCNC(=O)C1CCN(Cc2cc(Br)cc(F)c2[O-])CC1	ZINC000893974952	689441628	/nfs/dbraw/zinc/44/16/28/689441628.db2.gz	YSESJWNZJFYKIK-UHFFFAOYSA-N	-1	3	369.234	2.255	20	30		FEEDHM
O=C(CN1CCCCS1(=O)=O)N([O-])Cc1cc(Cl)cc(Cl)c1	ZINC000901379004	690641617	/nfs/dbraw/zinc/64/16/17/690641617.db2.gz	SWDBCZINKQAJFS-UHFFFAOYSA-N	-1	3	367.254	2.137	20	30		FEEDHM
O=C(c1ccc(S(=O)(=O)NC2CC2)cc1)N([O-])Cc1ccc(F)cc1	ZINC000901375117	690641621	/nfs/dbraw/zinc/64/16/21/690641621.db2.gz	CQMUAFRQODIYAC-UHFFFAOYSA-N	-1	3	364.398	2.298	20	30		FEEDHM
COCC[C@](C)(C#N)[N-]S(=O)(=O)c1ccc(Br)cc1F	ZINC000903123390	690847622	/nfs/dbraw/zinc/84/76/22/690847622.db2.gz	LRHHHRROOZAITE-GFCCVEGCSA-N	-1	3	365.224	2.185	20	30		FEEDHM
N#CCCCC[N-]S(=O)(=O)c1ccc(I)s1	ZINC000906920152	691343872	/nfs/dbraw/zinc/34/38/72/691343872.db2.gz	BOCVWJCBOFAWKL-UHFFFAOYSA-N	-1	3	370.237	2.325	20	30		FEEDHM
Cc1ncc(CO)c(/C=N/Cc2ccccc2CN2CCOCC2)c1[O-]	ZINC000005111159	539402682	/nfs/dbraw/zinc/40/26/82/539402682.db2.gz	QMKRJHMJWTWMOV-CIAFOILYSA-N	-1	3	355.438	2.039	20	30		FEEDHM
Cn1ccnc1[C@@H]([N-]S(=O)(=O)c1ccccc1C#N)c1ccccc1	ZINC000017521609	539642149	/nfs/dbraw/zinc/64/21/49/539642149.db2.gz	UVXJXQGDCOVRBU-KRWDZBQOSA-N	-1	3	352.419	2.360	20	30		FEEDHM
CN(Cc1cccc(C#N)c1)C(=O)CCn1[n-]c(=O)c2ccccc2c1=O	ZINC000025102466	539748934	/nfs/dbraw/zinc/74/89/34/539748934.db2.gz	MEXIFBAWMJHFSG-UHFFFAOYSA-N	-1	3	362.389	2.022	20	30		FEEDHM
COc1ccccc1N1C[C@H](C(=O)Nc2nnc(C(F)(F)F)[n-]2)CC1=O	ZINC000026255084	539781275	/nfs/dbraw/zinc/78/12/75/539781275.db2.gz	YZDWUGMNRSOBOZ-MRVPVSSYSA-N	-1	3	369.303	2.473	20	30		FEEDHM
COc1ccccc1N1C[C@H](C(=O)Nc2nc(C(F)(F)F)n[n-]2)CC1=O	ZINC000026255084	539781279	/nfs/dbraw/zinc/78/12/79/539781279.db2.gz	YZDWUGMNRSOBOZ-MRVPVSSYSA-N	-1	3	369.303	2.473	20	30		FEEDHM
Cc1cc([C@@H]2CCCN2C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)no1	ZINC000044633800	540134448	/nfs/dbraw/zinc/13/44/48/540134448.db2.gz	VKMXZPBENAXCPV-KRWDZBQOSA-N	-1	3	354.410	2.456	20	30		FEEDHM
CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N(CC#N)C2CC2)ccc1F	ZINC000065894903	541269654	/nfs/dbraw/zinc/26/96/54/541269654.db2.gz	FRJZOSQAJQJTBV-UHFFFAOYSA-N	-1	3	353.419	2.031	20	30		FEEDHM
COC(=O)C1(C#N)CCN(Cc2ccc(Br)cc2[O-])CC1	ZINC000826064264	675680418	/nfs/dbraw/zinc/68/04/18/675680418.db2.gz	HEPHTOIXNNNUFF-UHFFFAOYSA-N	-1	3	353.216	2.433	20	30		FEEDHM
Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1nnc(-c2ccco2)[n-]1	ZINC000074054055	542031053	/nfs/dbraw/zinc/03/10/53/542031053.db2.gz	INLQOJMHXZMAOU-UHFFFAOYSA-N	-1	3	353.386	2.363	20	30		FEEDHM
Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1nc(-c2ccco2)n[n-]1	ZINC000074054055	542031056	/nfs/dbraw/zinc/03/10/56/542031056.db2.gz	INLQOJMHXZMAOU-UHFFFAOYSA-N	-1	3	353.386	2.363	20	30		FEEDHM
Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1n[n-]c(-c2ccco2)n1	ZINC000074054055	542031059	/nfs/dbraw/zinc/03/10/59/542031059.db2.gz	INLQOJMHXZMAOU-UHFFFAOYSA-N	-1	3	353.386	2.363	20	30		FEEDHM
C[C@@H](C#N)OCCOC(=O)c1ccc(I)c([O-])c1	ZINC000801857355	674153107	/nfs/dbraw/zinc/15/31/07/674153107.db2.gz	GZCOGKDFGDIFHU-QMMMGPOBSA-N	-1	3	361.135	2.082	20	30		FEEDHM
C[N-]S(=O)(=O)c1cc(C(=O)N(CCC#N)CCC(C)C)ccc1F	ZINC000084187704	542708981	/nfs/dbraw/zinc/70/89/81/542708981.db2.gz	NZSBPPGYACWYRK-UHFFFAOYSA-N	-1	3	355.435	2.136	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC(C)(C)c1ccncc1	ZINC000091833575	542827175	/nfs/dbraw/zinc/82/71/75/542827175.db2.gz	NBYOLSAGCCRHKS-UHFFFAOYSA-N	-1	3	352.438	2.285	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cc2)cc1Cl	ZINC000103059429	543089429	/nfs/dbraw/zinc/08/94/29/543089429.db2.gz	FWELWVZKVHIOED-UHFFFAOYSA-N	-1	3	360.786	2.193	20	30		FEEDHM
N#C[C@H](NC(=O)C[N-]S(=O)(=O)c1cccs1)c1ccc(Cl)cc1	ZINC000106420566	543229618	/nfs/dbraw/zinc/22/96/18/543229618.db2.gz	IWUFNWGNQINCGT-LBPRGKRZSA-N	-1	3	369.855	2.061	20	30		FEEDHM
Cc1c(C([O-])=C(C#N)c2ccccn2)nnn1-c1ccc2c(c1)OCCO2	ZINC000109184437	543317083	/nfs/dbraw/zinc/31/70/83/543317083.db2.gz	VDOJKDVGGWKCKP-AWEZNQCLSA-N	-1	3	361.361	2.232	20	30		FEEDHM
C=CC1CCN(C(=O)c2cc(C(C)C)nc3c2c(=O)[n-]c(=O)n3CC)CC1	ZINC000110968575	543376676	/nfs/dbraw/zinc/37/66/76/543376676.db2.gz	JQIPHGXKPKGZOC-UHFFFAOYSA-N	-1	3	370.453	2.266	20	30		FEEDHM
C=C(C)COCC[N-]S(=O)(=O)c1cc(Br)ccc1OC	ZINC000125734312	543898952	/nfs/dbraw/zinc/89/89/52/543898952.db2.gz	IQPFAYRVWWUDJJ-UHFFFAOYSA-N	-1	3	364.261	2.329	20	30		FEEDHM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@]1(C#N)CCC[C@@H](C)C1	ZINC000130479958	544152783	/nfs/dbraw/zinc/15/27/83/544152783.db2.gz	MSQKZKAYZNPTOW-ABAIWWIYSA-N	-1	3	353.400	2.354	20	30		FEEDHM
Cc1nn2c(nnc2SCc2ncc(-c3ccc(C#N)cc3)o2)[n-]c1=O	ZINC000151018511	544496414	/nfs/dbraw/zinc/49/64/14/544496414.db2.gz	BENSKZLVALCQNK-UHFFFAOYSA-N	-1	3	365.378	2.352	20	30		FEEDHM
C=C[C@@H](C)[N-]S(=O)(=O)c1cc(OC)c(Br)cc1OC	ZINC000154653389	544933067	/nfs/dbraw/zinc/93/30/67/544933067.db2.gz	WTJSGPWDJLYMIV-MRVPVSSYSA-N	-1	3	350.234	2.319	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)OC[C@@H]2CCC(C)(C)O2)ccc1F	ZINC000803273685	674233187	/nfs/dbraw/zinc/23/31/87/674233187.db2.gz	RMPTVSVOTOXGNS-ZDUSSCGKSA-N	-1	3	371.430	2.404	20	30		FEEDHM
CN1CCC(Oc2ccc(NC(=O)c3ccc(C#N)c([O-])c3)cn2)CC1	ZINC000189014942	328123578	/nfs/dbraw/zinc/12/35/78/328123578.db2.gz	XHKSXHYINNGFRD-UHFFFAOYSA-N	-1	3	352.394	2.384	20	30		FEEDHM
Cc1cccc(S(=O)(=O)[N-]c2cc(Br)c[nH]c2=O)c1C#N	ZINC000189353794	328142659	/nfs/dbraw/zinc/14/26/59/328142659.db2.gz	CJLLHYZPVIRBJW-UHFFFAOYSA-N	-1	3	368.212	2.118	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@](C)(O)C1CCCCC1	ZINC000190487381	328210677	/nfs/dbraw/zinc/21/06/77/328210677.db2.gz	MGEGWVYHKLXMBI-HXUWFJFHSA-N	-1	3	359.470	2.244	20	30		FEEDHM
N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H](CO)Cc1ccccc1	ZINC000190498319	328211612	/nfs/dbraw/zinc/21/16/12/328211612.db2.gz	PUJSVZAZBOPMMV-ZDUSSCGKSA-N	-1	3	350.827	2.094	20	30		FEEDHM
N#Cc1cccc(CS(=O)(=O)[N-]Cc2noc(-c3ccccc3)n2)c1	ZINC000193706274	328390539	/nfs/dbraw/zinc/39/05/39/328390539.db2.gz	HGHASHXESJTWOW-UHFFFAOYSA-N	-1	3	354.391	2.228	20	30		FEEDHM
Cc1noc(C)c1S(=O)(=O)[N-][C@@H]1CCCN(c2ccccc2C#N)C1	ZINC000109136374	325660029	/nfs/dbraw/zinc/66/00/29/325660029.db2.gz	MHZFLKFZAXVLJZ-OAHLLOKOSA-N	-1	3	360.439	2.110	20	30		FEEDHM
CCOC(=O)c1c[n-]n(C2CCN(Cc3ccc(C#N)cc3)CC2)c1=N	ZINC000118838858	326106665	/nfs/dbraw/zinc/10/66/65/326106665.db2.gz	ADGDIFBJFFYWKR-UHFFFAOYSA-N	-1	3	353.426	2.181	20	30		FEEDHM
CCn1c2ccc(C#N)cc2nc1NC(=O)CCc1c(C)nc(C)[n-]c1=O	ZINC000131878576	326583441	/nfs/dbraw/zinc/58/34/41/326583441.db2.gz	UCHXIHVERDECPZ-UHFFFAOYSA-N	-1	3	364.409	2.199	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](CCO)C1CCCCC1	ZINC000151258039	326678229	/nfs/dbraw/zinc/67/82/29/326678229.db2.gz	RMIPPNHQZMSIKB-SFHVURJKSA-N	-1	3	359.470	2.244	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)C[C@@H](O)c1cccs1	ZINC000151269589	326678464	/nfs/dbraw/zinc/67/84/64/326678464.db2.gz	PVCCOHINFYAJLB-MEDUHNTESA-N	-1	3	373.478	2.486	20	30		FEEDHM
N#Cc1ccc(CS(=O)(=O)CC(=O)Nc2ccc(Cl)cc2[O-])cc1	ZINC000153676503	326739651	/nfs/dbraw/zinc/73/96/51/326739651.db2.gz	OCHKWYJVLJOZQK-UHFFFAOYSA-N	-1	3	364.810	2.471	20	30		FEEDHM
CN1CCN(Cc2cccc([N-]S(=O)(=O)c3cccc(C#N)c3)c2)CC1	ZINC000153943077	326746890	/nfs/dbraw/zinc/74/68/90/326746890.db2.gz	RVGGVABXKKDBHN-UHFFFAOYSA-N	-1	3	370.478	2.106	20	30		FEEDHM
Cc1nc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc(C2CC2)n1	ZINC000159924629	326947191	/nfs/dbraw/zinc/94/71/91/326947191.db2.gz	XAUKTOLPGKOGHD-UHFFFAOYSA-N	-1	3	351.410	2.411	20	30		FEEDHM
CN(C)c1cccc(C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)n1	ZINC000167905475	327086169	/nfs/dbraw/zinc/08/61/69/327086169.db2.gz	FVRXBMOHDUDCDU-UHFFFAOYSA-N	-1	3	350.831	2.151	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(-n2ccnn2)cc1	ZINC000170721767	327095469	/nfs/dbraw/zinc/09/54/69/327095469.db2.gz	XLRCRAXPYHZFHR-UHFFFAOYSA-N	-1	3	362.393	2.015	20	30		FEEDHM
CC(=O)N(C)c1cccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1	ZINC000175259382	327382939	/nfs/dbraw/zinc/38/29/39/327382939.db2.gz	ZSZWMHNYGLCTPO-UHFFFAOYSA-N	-1	3	366.421	2.417	20	30		FEEDHM
C[C@]1(c2ccc(C(=O)Nc3ccc(F)c(C#N)c3)cc2)NC(=O)[N-]C1=O	ZINC000177816740	327546886	/nfs/dbraw/zinc/54/68/86/327546886.db2.gz	YFDIBVJEGSFGOF-GOSISDBHSA-N	-1	3	352.325	2.004	20	30		FEEDHM
COc1ccc(CC[N-]S(=O)(=O)c2ccc(F)cc2C#N)cc1F	ZINC000178534807	327590971	/nfs/dbraw/zinc/59/09/71/327590971.db2.gz	ZAKSJILLKZLNJX-UHFFFAOYSA-N	-1	3	352.362	2.366	20	30		FEEDHM
CC(C)(CCO)C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000269854564	329554705	/nfs/dbraw/zinc/55/47/05/329554705.db2.gz	RKWIIGOGYZQAMR-UHFFFAOYSA-N	-1	3	350.362	2.264	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@H](C(C)(C)C)[C@H](O)C1	ZINC000272130178	329754385	/nfs/dbraw/zinc/75/43/85/329754385.db2.gz	RZCYFVRTFRUAAF-IAGOWNOFSA-N	-1	3	359.470	2.464	20	30		FEEDHM
Cc1ccnc(N2CCC([N-]S(=O)(=O)c3cccs3)CC2)c1C#N	ZINC000273276814	329851926	/nfs/dbraw/zinc/85/19/26/329851926.db2.gz	CPHBVKYFYIQYBP-UHFFFAOYSA-N	-1	3	362.480	2.271	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]Cc2noc(-c3ccccc3F)n2)s1	ZINC000367175562	330225859	/nfs/dbraw/zinc/22/58/59/330225859.db2.gz	YKMRNOJPZQSFQW-UHFFFAOYSA-N	-1	3	364.383	2.287	20	30		FEEDHM
N#CCCN(C(=O)CCC(=O)[N-]OCc1cccnc1)c1ccccc1	ZINC000155818499	545573228	/nfs/dbraw/zinc/57/32/28/545573228.db2.gz	KZRFHDMRMCGERD-UHFFFAOYSA-N	-1	3	352.394	2.356	20	30		FEEDHM
N#C[C@H](C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)c1ccc(C(F)(F)F)cn1	ZINC000155710655	545560152	/nfs/dbraw/zinc/56/01/52/545560152.db2.gz	XLTHCLSMKORCEK-LBPRGKRZSA-N	-1	3	374.278	2.230	20	30		FEEDHM
C[C@H]1CCCC[C@@H]1OCC[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000156514566	545632765	/nfs/dbraw/zinc/63/27/65/545632765.db2.gz	GXZKJPNDQGIYQI-WFASDCNBSA-N	-1	3	367.427	2.340	20	30		FEEDHM
N#Cc1cc(F)ccc1S(=O)(=O)[N-]CC(=O)Nc1ccc(Cl)cc1	ZINC000156701323	545649520	/nfs/dbraw/zinc/64/95/20/545649520.db2.gz	PYGGGKGJADMVAX-UHFFFAOYSA-N	-1	3	367.789	2.268	20	30		FEEDHM
CC(C)C[C@H](CO)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000158429783	545859608	/nfs/dbraw/zinc/85/96/08/545859608.db2.gz	QLIFDICYGYCQQN-LLVKDONJSA-N	-1	3	350.362	2.262	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)[C@H](CCO)c1ccccc1	ZINC000158541916	545870042	/nfs/dbraw/zinc/87/00/42/545870042.db2.gz	DNUWOWSIXABEQL-LJQANCHMSA-N	-1	3	367.449	2.378	20	30		FEEDHM
CO[C@@H](C)c1nc(C[N-]S(=O)(=O)Cc2ccc(C#N)cc2F)cs1	ZINC000480742305	561215685	/nfs/dbraw/zinc/21/56/85/561215685.db2.gz	WEEURAXLQRKEOE-JTQLQIEISA-N	-1	3	369.443	2.481	20	30		FEEDHM
C=CCOC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)OC	ZINC000481580111	561236521	/nfs/dbraw/zinc/23/65/21/561236521.db2.gz	IXVBZTKRUHCLKX-LLVKDONJSA-N	-1	3	368.238	2.016	20	30		FEEDHM
N#CCCCCS(=O)(=O)[N-][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O	ZINC000180170097	547062183	/nfs/dbraw/zinc/06/21/83/547062183.db2.gz	BGIQAJRKLPMNBZ-CQSZACIVSA-N	-1	3	373.837	2.198	20	30		FEEDHM
N#CC(=C([O-])c1ccnc(O[C@H]2CCOC2)c1)c1nnc2n1CCCCC2	ZINC000183514206	547673711	/nfs/dbraw/zinc/67/37/11/547673711.db2.gz	RYAACLJTDQODOY-GJZGRUSLSA-N	-1	3	367.409	2.057	20	30		FEEDHM
COC(=O)c1cc(S(=O)(=O)[N-][C@]2(C#N)CCc3ccccc3C2)c(C)o1	ZINC000185150712	547941386	/nfs/dbraw/zinc/94/13/86/547941386.db2.gz	VOBXTSNZRORBPZ-GOSISDBHSA-N	-1	3	374.418	2.104	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCSCC[C@H]2C)ccc1F	ZINC000190029535	548316601	/nfs/dbraw/zinc/31/66/01/548316601.db2.gz	VVRLPQHYFQPAIB-GFCCVEGCSA-N	-1	3	372.487	2.258	20	30		FEEDHM
C[C@@H](CC#N)NC(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1	ZINC000194621152	548507050	/nfs/dbraw/zinc/50/70/50/548507050.db2.gz	KUKCDNDLSMLOFV-JTQLQIEISA-N	-1	3	369.493	2.320	20	30		FEEDHM
C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](CCCC#N)c2ccccc2)cn1	ZINC000487602334	561372539	/nfs/dbraw/zinc/37/25/39/561372539.db2.gz	KJTQRBBAVZNCIR-INIZCTEOSA-N	-1	3	372.450	2.155	20	30		FEEDHM
N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c1	ZINC000248470313	549446323	/nfs/dbraw/zinc/44/63/23/549446323.db2.gz	HWXHQOJZYWXMAO-NILFDRSVSA-N	-1	3	352.843	2.448	20	30		FEEDHM
CC(C)CO[N-]C(=O)Nc1ccc(S(=O)(=O)N=C2CCCN2C)cc1	ZINC000269651740	550214377	/nfs/dbraw/zinc/21/43/77/550214377.db2.gz	FECXHVNVPHDQDJ-CYVLTUHYSA-N	-1	3	368.459	2.209	20	30		FEEDHM
Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCSC[C@@H]2C#N)c1	ZINC000273463944	550499646	/nfs/dbraw/zinc/49/96/46/550499646.db2.gz	GNONJBDVHRHRFC-LBPRGKRZSA-N	-1	3	372.406	2.022	20	30		FEEDHM
COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@]2(C#N)CCC[C@@H](C)C2)s1	ZINC000274754364	550552309	/nfs/dbraw/zinc/55/23/09/550552309.db2.gz	PCPHCTDBTHWNEO-MEBBXXQBSA-N	-1	3	372.468	2.294	20	30		FEEDHM
C=CCCN(C)S(=O)(=O)c1ccc([N-]S(=O)(=O)C(C)C)c(F)c1	ZINC000276144685	550577156	/nfs/dbraw/zinc/57/71/56/550577156.db2.gz	OVYSNMPWVJXMRG-UHFFFAOYSA-N	-1	3	364.464	2.172	20	30		FEEDHM
CC[C@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2ccc(F)cc2C#N)n[nH]1	ZINC000277021605	550622784	/nfs/dbraw/zinc/62/27/84/550622784.db2.gz	WUWZNSNIJLBFFD-UWVGGRQHSA-N	-1	3	351.407	2.368	20	30		FEEDHM
CCOC(=O)c1nnc(C2CCN(C(=O)c3ccc(C#N)cc3C)CC2)[n-]1	ZINC000277587471	550688480	/nfs/dbraw/zinc/68/84/80/550688480.db2.gz	CXDDCDOSOKAFBB-UHFFFAOYSA-N	-1	3	367.409	2.181	20	30		FEEDHM
CCOC(=O)c1nc(C2CCN(C(=O)c3ccc(C#N)cc3C)CC2)n[n-]1	ZINC000277587471	550688481	/nfs/dbraw/zinc/68/84/81/550688481.db2.gz	CXDDCDOSOKAFBB-UHFFFAOYSA-N	-1	3	367.409	2.181	20	30		FEEDHM
CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)c2ccc(OC)nc2)C1=O	ZINC000278786932	550821893	/nfs/dbraw/zinc/82/18/93/550821893.db2.gz	MEHJBTFJLBRRCW-SFHVURJKSA-N	-1	3	362.430	2.406	20	30		FEEDHM
N#CCCN(CCN1CCOCC1)C(=O)c1cc([O-])c2ccccc2c1	ZINC000279521224	550899291	/nfs/dbraw/zinc/89/92/91/550899291.db2.gz	LWGZGLFGOTXJRP-UHFFFAOYSA-N	-1	3	353.422	2.233	20	30		FEEDHM
CN(C)CC1([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CCC1	ZINC000280919173	551045671	/nfs/dbraw/zinc/04/56/71/551045671.db2.gz	AUFRIJADPQAQBR-UHFFFAOYSA-N	-1	3	361.389	2.340	20	30		FEEDHM
CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)[C@H](O)C(F)(F)F	ZINC000497978508	561513037	/nfs/dbraw/zinc/51/30/37/561513037.db2.gz	JYKSKHTUBQDERO-ONGXEEELSA-N	-1	3	356.753	2.192	20	30		FEEDHM
COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)[N-]CCCCC#N	ZINC000284042367	551473811	/nfs/dbraw/zinc/47/38/11/551473811.db2.gz	XGJQOTOKIUNFHS-UHFFFAOYSA-N	-1	3	373.862	2.023	20	30		FEEDHM
COCCCOc1ccc(C[N-]S(=O)(=O)c2ccc(C#N)o2)cc1	ZINC000286674269	551913300	/nfs/dbraw/zinc/91/33/00/551913300.db2.gz	KTUGECLIAWUMEI-UHFFFAOYSA-N	-1	3	350.396	2.045	20	30		FEEDHM
CC(C)(CO)[C@H]([N-]S(=O)(=O)c1cncc(C#N)c1)c1cccs1	ZINC000290185020	552439977	/nfs/dbraw/zinc/43/99/77/552439977.db2.gz	RISLEAOJTPFPMR-CQSZACIVSA-N	-1	3	351.453	2.053	20	30		FEEDHM
COC(=O)C1(CS(=O)(=O)[N-]c2cccc(OCC#N)c2)CCCCC1	ZINC000291985177	552681730	/nfs/dbraw/zinc/68/17/30/552681730.db2.gz	VOKATDSOWXPSSX-UHFFFAOYSA-N	-1	3	366.439	2.454	20	30		FEEDHM
CC[C@@H](CC#N)[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1	ZINC000295161347	552965023	/nfs/dbraw/zinc/96/50/23/552965023.db2.gz	OSYJKMLHSFVSHU-ZETCQYMHSA-N	-1	3	352.641	2.468	20	30		FEEDHM
C[C@@](O)(C[N-]S(=O)(=O)Cc1ccc(F)cc1C#N)c1ccsc1	ZINC000295259069	552977338	/nfs/dbraw/zinc/97/73/38/552977338.db2.gz	RFLNGARPEHZMHJ-OAHLLOKOSA-N	-1	3	354.428	2.086	20	30		FEEDHM
C[C@@H](CCCO)C[N-]S(=O)(=O)c1cccc(Br)c1C#N	ZINC000295267086	552978713	/nfs/dbraw/zinc/97/87/13/552978713.db2.gz	LRVLVKBJBOIEEQ-JTQLQIEISA-N	-1	3	361.261	2.008	20	30		FEEDHM
CCOC(=O)c1cc(F)c(OC)c(S(=O)(=O)[N-][C@@H](C#N)C(C)(C)C)c1	ZINC000502425418	561618260	/nfs/dbraw/zinc/61/82/60/561618260.db2.gz	NEDNXTKAFQFTCO-ZDUSSCGKSA-N	-1	3	372.418	2.228	20	30		FEEDHM
Cc1c(C(=O)[N-]c2sc3c(c2C#N)CCCC3)nnn1-c1ccn(C)n1	ZINC000297710567	553328571	/nfs/dbraw/zinc/32/85/71/553328571.db2.gz	CMCLPJNUXVFCJP-UHFFFAOYSA-N	-1	3	367.438	2.374	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-]C[C@@H](CO)Cc2ccccc2)c(Cl)c1	ZINC000503451118	561641600	/nfs/dbraw/zinc/64/16/00/561641600.db2.gz	ABUSLGATWYSCDY-HNNXBMFYSA-N	-1	3	364.854	2.341	20	30		FEEDHM
CCOC(=O)CCC[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000298847525	553480330	/nfs/dbraw/zinc/48/03/30/553480330.db2.gz	KDNTVKCSKAINFZ-UHFFFAOYSA-N	-1	3	364.345	2.199	20	30		FEEDHM
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCc2c(nc[n-]c2=O)C1	ZINC000504148238	561653942	/nfs/dbraw/zinc/65/39/42/561653942.db2.gz	CDTSOKRSEHTKPS-QGZVFWFLSA-N	-1	3	352.394	2.042	20	30		FEEDHM
COC(=O)C1CCC([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)CC1	ZINC000322614318	553768522	/nfs/dbraw/zinc/76/85/22/553768522.db2.gz	DFDTXXHTMGXFOI-UHFFFAOYSA-N	-1	3	356.831	2.222	20	30		FEEDHM
C[C@H](C#N)CN(C)S(=O)(=O)[N-][C@@H](C)c1nc(C2CCCCC2)no1	ZINC000330381636	554114012	/nfs/dbraw/zinc/11/40/12/554114012.db2.gz	IJNYOVALFFGQOB-NEPJUHHUSA-N	-1	3	355.464	2.104	20	30		FEEDHM
COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@](C)(C#N)CCSC	ZINC000508074677	561750401	/nfs/dbraw/zinc/75/04/01/561750401.db2.gz	RUSNCCVVCRNRCI-ZDUSSCGKSA-N	-1	3	362.498	2.157	20	30		FEEDHM
COCC[C@@](C)(C#N)[N-]S(=O)(=O)c1cc(F)ccc1Br	ZINC000508074481	561750408	/nfs/dbraw/zinc/75/04/08/561750408.db2.gz	QIOVZYYDRCRWGF-LBPRGKRZSA-N	-1	3	365.224	2.185	20	30		FEEDHM
C=CCCCC[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)NC)c1OC	ZINC000509930205	561818922	/nfs/dbraw/zinc/81/89/22/561818922.db2.gz	PAVGLPIIVIKWTK-UHFFFAOYSA-N	-1	3	360.863	2.343	20	30		FEEDHM
N#C[C@@H]1CN(C(=O)c2cc(=O)c3ccccc3[n-]2)CCN1Cc1ccccc1	ZINC000363344791	555082174	/nfs/dbraw/zinc/08/21/74/555082174.db2.gz	LJLNQSWZDXDQFJ-QGZVFWFLSA-N	-1	3	372.428	2.378	20	30		FEEDHM
Cc1c(C#N)cccc1C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1[O-]	ZINC000513605175	561944286	/nfs/dbraw/zinc/94/42/86/561944286.db2.gz	OBXVEVKWVNRQRJ-UHFFFAOYSA-N	-1	3	371.418	2.365	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)c1nnc2n1CCCCC2	ZINC000366638905	555897092	/nfs/dbraw/zinc/89/70/92/555897092.db2.gz	KSXHOLKSZUJZTG-LLVKDONJSA-N	-1	3	363.418	2.055	20	30		FEEDHM
Cc1ccc(CS(=O)(=O)[N-]c2cnn(-c3ncccc3C#N)c2)cc1	ZINC000367995695	556190491	/nfs/dbraw/zinc/19/04/91/556190491.db2.gz	BWDVJGNNIGMHBP-UHFFFAOYSA-N	-1	3	353.407	2.389	20	30		FEEDHM
N#Cc1cccc(CC[N-]S(=O)(=O)c2ccc(C(F)(F)F)cn2)c1	ZINC000516121784	562031757	/nfs/dbraw/zinc/03/17/57/562031757.db2.gz	FLDFDWKPDJMHBU-UHFFFAOYSA-N	-1	3	355.341	2.493	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@H](Cc2cnn(C)c2)C1	ZINC000369951027	556739217	/nfs/dbraw/zinc/73/92/17/556739217.db2.gz	HHBCVIGMIHBYGF-HNNXBMFYSA-N	-1	3	367.453	2.033	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)o1)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000370668171	556935499	/nfs/dbraw/zinc/93/54/99/556935499.db2.gz	UAVYQKYSVKFQPV-GDBMZVCRSA-N	-1	3	359.451	2.340	20	30		FEEDHM
N#Cc1ccc(N2CCC[C@H](NC(=O)Cc3cncc([O-])c3)C2)c(F)c1	ZINC000519179929	562126653	/nfs/dbraw/zinc/12/66/53/562126653.db2.gz	CGYBGBDDZIVMMZ-HNNXBMFYSA-N	-1	3	354.385	2.126	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-]Cc1cccc(-c2cccnc2)c1	ZINC000372988104	557604231	/nfs/dbraw/zinc/60/42/31/557604231.db2.gz	BFVFPDDNQDLGCY-UHFFFAOYSA-N	-1	3	350.403	2.494	20	30		FEEDHM
Cc1ccc(-c2nc(CC[N-]S(=O)(=O)c3cccnc3C#N)co2)cc1	ZINC000373776316	557756781	/nfs/dbraw/zinc/75/67/81/557756781.db2.gz	TXQFGFZSXBAHOJ-UHFFFAOYSA-N	-1	3	368.418	2.438	20	30		FEEDHM
Cc1cc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)nn1-c1cccc(C#N)c1	ZINC000375925126	558100746	/nfs/dbraw/zinc/10/07/46/558100746.db2.gz	QYLODNKNYPFHRE-LBPRGKRZSA-N	-1	3	363.299	2.430	20	30		FEEDHM
CN1CC[C@H](C[N-]S(=O)(=O)c2ccc(C#N)o2)[C@H]1c1cccs1	ZINC000376265100	558149674	/nfs/dbraw/zinc/14/96/74/558149674.db2.gz	KDKBSEZGSISDGC-ABAIWWIYSA-N	-1	3	351.453	2.184	20	30		FEEDHM
Cc1nccn1-c1ccc(C[N-]S(=O)(=O)c2ccc(C#N)o2)cc1F	ZINC000376287843	558152825	/nfs/dbraw/zinc/15/28/25/558152825.db2.gz	FXESMUKVFZYQIB-UHFFFAOYSA-N	-1	3	360.370	2.263	20	30		FEEDHM
COc1ccccc1OCC[N-]S(=O)(=O)c1ccc(C#N)cc1F	ZINC000523574374	562215506	/nfs/dbraw/zinc/21/55/06/562215506.db2.gz	ZLVOAFJWBKPRJI-UHFFFAOYSA-N	-1	3	350.371	2.063	20	30		FEEDHM
C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)s1	ZINC000389986170	558610613	/nfs/dbraw/zinc/61/06/13/558610613.db2.gz	MEQAXSWMDHQVNI-CJNGLKHVSA-N	-1	3	361.492	2.419	20	30		FEEDHM
CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@]3(CCCCO3)[C@@H]2C#N)c1	ZINC000408267817	558662449	/nfs/dbraw/zinc/66/24/49/558662449.db2.gz	FTIDYLVLASCLPS-PKOBYXMFSA-N	-1	3	357.410	2.418	20	30		FEEDHM
COc1ccc(Br)c(CS(=O)(=O)[N-][C@@H](C#N)C(C)C)c1	ZINC000410338508	558752129	/nfs/dbraw/zinc/75/21/29/558752129.db2.gz	FAFQJJUBUZMNKQ-ZDUSSCGKSA-N	-1	3	361.261	2.425	20	30		FEEDHM
CCN(C[C@H](C)C#N)S(=O)(=O)[N-]CC(=O)Nc1cccc2ccccc21	ZINC000410102769	558738631	/nfs/dbraw/zinc/73/86/31/558738631.db2.gz	BRHBPRCKVHJUOY-CQSZACIVSA-N	-1	3	374.466	2.094	20	30		FEEDHM
C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)C[C@@H]2CCCCO2)cc1	ZINC000525365605	562246627	/nfs/dbraw/zinc/24/66/27/562246627.db2.gz	OXMTYQKXSSWAAK-HNNXBMFYSA-N	-1	3	353.444	2.305	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H](CO)c1ccc(F)cc1	ZINC000412751180	559054290	/nfs/dbraw/zinc/05/42/90/559054290.db2.gz	YXQZXUVRKBOHSB-HNNXBMFYSA-N	-1	3	371.412	2.240	20	30		FEEDHM
Cc1cc(N2CCN(C(=O)c3ccccc3[O-])CC2)c(C#N)cc1[N+](=O)[O-]	ZINC000413101655	559078279	/nfs/dbraw/zinc/07/82/79/559078279.db2.gz	VJVZAJKGDNFVLI-UHFFFAOYSA-N	-1	3	366.377	2.443	20	30		FEEDHM
C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[N-]S(=O)(=O)c1cc(Br)ccc1C#N	ZINC000528544729	562335204	/nfs/dbraw/zinc/33/52/04/562335204.db2.gz	UCTWOSUNJJSYKR-QOBXEIRBSA-N	-1	3	373.272	2.411	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1C#N)[C@@H]1CCCOC1	ZINC000416452499	559313901	/nfs/dbraw/zinc/31/39/01/559313901.db2.gz	CZEHAYJRYIAEFT-ZYHUDNBSSA-N	-1	3	373.272	2.414	20	30		FEEDHM
CO[C@H]1c2ccccc2C[C@H]1[N-]S(=O)(=O)Cc1ccc(F)cc1C#N	ZINC000416576894	559322968	/nfs/dbraw/zinc/32/29/68/559322968.db2.gz	HHQHDMKWNMIVQI-MSOLQXFVSA-N	-1	3	360.410	2.429	20	30		FEEDHM
C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2cccc(Br)c2C#N)[C@H](C)O1	ZINC000416603739	559324557	/nfs/dbraw/zinc/32/45/57/559324557.db2.gz	KYEZNXGPYIOXHA-VWYCJHECSA-N	-1	3	373.272	2.413	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCCC(F)(F)[C@@H]2O)c(Cl)c1	ZINC000416620191	559325594	/nfs/dbraw/zinc/32/55/94/559325594.db2.gz	GYQPEQOICUKWFQ-CMPLNLGQSA-N	-1	3	350.774	2.039	20	30		FEEDHM
C=CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1csnc1C(=O)OC	ZINC000416637180	559326613	/nfs/dbraw/zinc/32/66/13/559326613.db2.gz	UAWQHZYROHQWEF-ZDUSSCGKSA-N	-1	3	366.464	2.395	20	30		FEEDHM
CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CC2(C#N)CCC2)cc1Cl	ZINC000416674918	559328993	/nfs/dbraw/zinc/32/89/93/559328993.db2.gz	WIJCYAPDZKJSMT-UHFFFAOYSA-N	-1	3	359.810	2.410	20	30		FEEDHM
C=CC[C@@H](CO)C[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F	ZINC000420689987	559498245	/nfs/dbraw/zinc/49/82/45/559498245.db2.gz	OLQZJRWZALUBGY-SECBINFHSA-N	-1	3	355.790	2.404	20	30		FEEDHM
COC(=O)c1cnc([C@@H](C)[N-]S(=O)(=O)c2cc(C#N)ccc2C)s1	ZINC000425205817	559691237	/nfs/dbraw/zinc/69/12/37/559691237.db2.gz	PBYZCHSYCSHIHJ-SNVBAGLBSA-N	-1	3	365.436	2.149	20	30		FEEDHM
CC(C)Oc1ccc(C#N)cc1NC(=O)CNC(=O)c1cccc([O-])c1	ZINC000426635106	559739291	/nfs/dbraw/zinc/73/92/91/559739291.db2.gz	UPRRLHIJBTWCRA-UHFFFAOYSA-N	-1	3	353.378	2.420	20	30		FEEDHM
C=CCc1cc(C[N-]S(=O)(=O)c2cccnc2C#N)cc(OC)c1OC	ZINC000428241711	559772157	/nfs/dbraw/zinc/77/21/57/559772157.db2.gz	DYSBQUMKVSDNSM-UHFFFAOYSA-N	-1	3	373.434	2.177	20	30		FEEDHM
COC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)s1)c1ccc(F)cc1	ZINC000435437436	559922959	/nfs/dbraw/zinc/92/29/59/559922959.db2.gz	KNSMOCHCYRRLJD-CYBMUJFWSA-N	-1	3	368.411	2.342	20	30		FEEDHM
COC(=O)[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)s1)c1ccc(C)cc1	ZINC000435443233	559923346	/nfs/dbraw/zinc/92/33/46/559923346.db2.gz	MTGYQHDIOPJDSO-AWEZNQCLSA-N	-1	3	364.448	2.163	20	30		FEEDHM
CCOC(=O)[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)C1	ZINC000435631327	559926796	/nfs/dbraw/zinc/92/67/96/559926796.db2.gz	BZOHCSKEOBDWSB-NEPJUHHUSA-N	-1	3	356.831	2.222	20	30		FEEDHM
N#Cc1cnc(NCC[N-]S(=O)(=O)c2ccc(F)cc2F)c(Cl)c1	ZINC000440668177	560015802	/nfs/dbraw/zinc/01/58/02/560015802.db2.gz	KHIJHNQKUQOHDB-UHFFFAOYSA-N	-1	3	372.784	2.275	20	30		FEEDHM
CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N(C[C@H](C)C#N)C1CC1	ZINC000441919976	560041065	/nfs/dbraw/zinc/04/10/65/560041065.db2.gz	MXJMJAUGRMIBAU-SNVBAGLBSA-N	-1	3	363.439	2.322	20	30		FEEDHM
COC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)C1CCCCC1	ZINC000442846373	560059745	/nfs/dbraw/zinc/05/97/45/560059745.db2.gz	JNVKVPGQFXIOOF-OAHLLOKOSA-N	-1	3	368.430	2.488	20	30		FEEDHM
C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)C(=O)N1CCCC[C@@H]1C	ZINC000443079837	560069777	/nfs/dbraw/zinc/06/97/77/560069777.db2.gz	RRXJEZHAYBDLCR-NWDGAFQWSA-N	-1	3	369.874	2.279	20	30		FEEDHM
CC(C)(CC#N)CS(=O)(=O)[N-][C@@H](Cc1ccccc1)[C@H](O)C(F)F	ZINC000451224578	560294103	/nfs/dbraw/zinc/29/41/03/560294103.db2.gz	DNRXWMMBZUZDPS-KBPBESRZSA-N	-1	3	360.426	2.083	20	30		FEEDHM
CCc1nc([C@@H](C)[N-]S(=O)(=O)c2ccc(CC#N)cc2Cl)n[nH]1	ZINC000451360437	560302663	/nfs/dbraw/zinc/30/26/63/560302663.db2.gz	YICWYELHAJFYAQ-SECBINFHSA-N	-1	3	353.835	2.126	20	30		FEEDHM
CC(C)(CC#N)CS(=O)(=O)[N-]Cc1noc(-c2cccc(F)c2)n1	ZINC000451485186	560309985	/nfs/dbraw/zinc/30/99/85/560309985.db2.gz	IHOHBYABYKLVDW-UHFFFAOYSA-N	-1	3	352.391	2.235	20	30		FEEDHM
COCCOc1ccc(F)cc1S(=O)(=O)[N-][C@H]1CC[C@@H](CC#N)C1	ZINC000451737654	560325674	/nfs/dbraw/zinc/32/56/74/560325674.db2.gz	QNUAWCVABAONOP-JSGCOSHPSA-N	-1	3	356.419	2.212	20	30		FEEDHM
C=CCC[C@H]([N-]S(=O)(=O)c1cnccc1C(F)(F)F)C(=O)OCC	ZINC000451982806	560342256	/nfs/dbraw/zinc/34/22/56/560342256.db2.gz	BWROWTFHRXFHCM-NSHDSACASA-N	-1	3	366.361	2.277	20	30		FEEDHM
C=CCC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C(=O)OCC	ZINC000451986698	560342700	/nfs/dbraw/zinc/34/27/00/560342700.db2.gz	FTGZDHHPZLTZPC-CYBMUJFWSA-N	-1	3	356.831	2.388	20	30		FEEDHM
C=CCC[C@@H](CO)[N-]S(=O)(=O)c1cc(OC)ccc1Br	ZINC000452027866	560346368	/nfs/dbraw/zinc/34/63/68/560346368.db2.gz	XOIWFTLHCKEIOV-JTQLQIEISA-N	-1	3	364.261	2.063	20	30		FEEDHM
C=CC(C)(C)CNC(=O)C[N-]S(=O)(=O)c1ccccc1C(F)(F)F	ZINC000452775780	560373673	/nfs/dbraw/zinc/37/36/73/560373673.db2.gz	IWECHXMJIJWFPI-UHFFFAOYSA-N	-1	3	364.389	2.312	20	30		FEEDHM
Cn1c2cc([O-])c(NC(=O)c3cccc(SCC#N)c3)cc2n(C)c1=O	ZINC000461624664	560777539	/nfs/dbraw/zinc/77/75/39/560777539.db2.gz	QNIJMPZIPNVALB-UHFFFAOYSA-N	-1	3	368.418	2.451	20	30		FEEDHM
N#C[C@H]1CCC[C@@H]1NC(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1	ZINC000461968801	560790237	/nfs/dbraw/zinc/79/02/37/560790237.db2.gz	SVKKKUNRCVGQCJ-CABCVRRESA-N	-1	3	356.426	2.445	20	30		FEEDHM
N#Cc1ncccc1S(=O)(=O)[N-][C@@H]1CCOc2c(F)ccc(F)c21	ZINC000462289444	560804490	/nfs/dbraw/zinc/80/44/90/560804490.db2.gz	JCYOYPQABUXQRP-LLVKDONJSA-N	-1	3	351.334	2.034	20	30		FEEDHM
COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)[C@@H](C)c1cccc(C#N)c1	ZINC000464456179	560842379	/nfs/dbraw/zinc/84/23/79/560842379.db2.gz	AXZFWZZUQIGZJC-JTQLQIEISA-N	-1	3	355.350	2.202	20	30		FEEDHM
C=C[C@H](C)NC(=O)C(=O)[N-]c1sc2c(c1C(=O)OCC)CCSC2	ZINC000465347032	560863743	/nfs/dbraw/zinc/86/37/43/560863743.db2.gz	TWMPJBYAGGNYBT-VIFPVBQESA-N	-1	3	368.480	2.343	20	30		FEEDHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(C(N)=O)cc1F	ZINC000467485998	560910960	/nfs/dbraw/zinc/91/09/60/560910960.db2.gz	GQGCSROLHNRONU-UHFFFAOYSA-N	-1	3	356.357	2.085	20	30		FEEDHM
C=CCN(C(=O)CCCc1ccc([O-])c(F)c1)[C@H]1CCS(=O)(=O)C1	ZINC000468656700	560935256	/nfs/dbraw/zinc/93/52/56/560935256.db2.gz	ZAADRLOHDHHLGO-AWEZNQCLSA-N	-1	3	355.431	2.056	20	30		FEEDHM
CS(=O)(=O)[N-]c1ccc(C(=O)N[C@]2(C#N)CCc3ccccc3C2)cc1	ZINC000474647420	561079394	/nfs/dbraw/zinc/07/93/94/561079394.db2.gz	MFVKTIHWTNQUBJ-LJQANCHMSA-N	-1	3	369.446	2.239	20	30		FEEDHM
N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](CO)c2ccc(F)cc2)c1	ZINC000475794953	561105499	/nfs/dbraw/zinc/10/54/99/561105499.db2.gz	GWTBULWHIAVGKI-AWEZNQCLSA-N	-1	3	354.790	2.363	20	30		FEEDHM
CN(C(=O)C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C1CCCCC1	ZINC000476348248	561117232	/nfs/dbraw/zinc/11/72/32/561117232.db2.gz	PQGNHKYSCYCGOU-UHFFFAOYSA-N	-1	3	369.874	2.281	20	30		FEEDHM
O=C(N[C@@H]1CCCN([O-])C1=O)[C@@H]1C[C@H]1c1csc(Br)c1	ZINC000529424444	562373391	/nfs/dbraw/zinc/37/33/91/562373391.db2.gz	BMNMXDDTJPEQEM-IVZWLZJFSA-N	-1	3	359.245	2.111	20	30		FEEDHM
C[C@@H](Cc1ccsc1)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000532761395	562487802	/nfs/dbraw/zinc/48/78/02/562487802.db2.gz	VGLAUGRDENVAFM-JTQLQIEISA-N	-1	3	351.409	2.437	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCOC3(CCSCC3)C2)c(F)c1	ZINC000532765219	562487977	/nfs/dbraw/zinc/48/79/77/562487977.db2.gz	XTNVYIONAHTLKB-CYBMUJFWSA-N	-1	3	370.471	2.420	20	30		FEEDHM
CN1CC[C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2F)[C@@H]1c1ccccc1	ZINC000534638904	562538799	/nfs/dbraw/zinc/53/87/99/562538799.db2.gz	NLWQXAPURDPBLW-WMZOPIPTSA-N	-1	3	359.426	2.421	20	30		FEEDHM
COCC[C@@](C)(C#N)[N-]S(=O)(=O)c1cscc1Br	ZINC000601959278	567886608	/nfs/dbraw/zinc/88/66/08/567886608.db2.gz	IYERWOITAUGPEX-JTQLQIEISA-N	-1	3	353.263	2.108	20	30		FEEDHM
C[C@@H]1CN(C(=O)Cc2ccc(Br)cc2[O-])C[C@H](C)N1CC#N	ZINC000603096332	568060125	/nfs/dbraw/zinc/06/01/25/568060125.db2.gz	HKJORODGJLCGRM-TXEJJXNPSA-N	-1	3	366.259	2.142	20	30		FEEDHM
Cc1cc(F)cc2c1[n-]cc(C(=O)N1C[C@H](C)N(CC#N)[C@@H](C)C1)c2=O	ZINC000603098874	568060301	/nfs/dbraw/zinc/06/03/01/568060301.db2.gz	ILNIWBYURLCIFJ-STQMWFEESA-N	-1	3	356.401	2.034	20	30		FEEDHM
COC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)cc1	ZINC000603973663	568188893	/nfs/dbraw/zinc/18/88/93/568188893.db2.gz	YQVRUTAPHFBPNO-UHFFFAOYSA-N	-1	3	360.391	2.105	20	30		FEEDHM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]Cc1noc2ccccc12	ZINC000568890311	568248327	/nfs/dbraw/zinc/24/83/27/568248327.db2.gz	DJPWKKJLKVBSLO-UHFFFAOYSA-N	-1	3	358.335	2.086	20	30		FEEDHM
N#C[C@H](NC(=O)COc1ccccc1-c1nnn[n-]1)c1ccc(Cl)cc1	ZINC000737675878	598826396	/nfs/dbraw/zinc/82/63/96/598826396.db2.gz	SMSZACXZRZKDEZ-AWEZNQCLSA-N	-1	3	368.784	2.280	20	30		FEEDHM
N#C[C@H](NC(=O)COc1ccccc1-c1nn[n-]n1)c1ccc(Cl)cc1	ZINC000737675878	598826397	/nfs/dbraw/zinc/82/63/97/598826397.db2.gz	SMSZACXZRZKDEZ-AWEZNQCLSA-N	-1	3	368.784	2.280	20	30		FEEDHM
C#CC[C@H](OC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1)c1ccccn1	ZINC000735375701	598856908	/nfs/dbraw/zinc/85/69/08/598856908.db2.gz	PDQPMLUZNNHVMC-DYVFJYSZSA-N	-1	3	363.377	2.337	20	30		FEEDHM
C[C@@H](CC#N)OC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1	ZINC000735975122	598857950	/nfs/dbraw/zinc/85/79/50/598857950.db2.gz	NIIQMIFQHYCXLW-NSHDSACASA-N	-1	3	353.338	2.498	20	30		FEEDHM
C[C@@H](CC#N)OC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1	ZINC000735975122	598857951	/nfs/dbraw/zinc/85/79/51/598857951.db2.gz	NIIQMIFQHYCXLW-NSHDSACASA-N	-1	3	353.338	2.498	20	30		FEEDHM
N#C[C@H]1CN(Cc2cccc(-c3nnn[n-]3)c2)CCN1Cc1ccccc1	ZINC000737678945	598918787	/nfs/dbraw/zinc/91/87/87/598918787.db2.gz	MYXWWUGGUZMFPC-IBGZPJMESA-N	-1	3	359.437	2.077	20	30		FEEDHM
N#C[C@H]1CN(Cc2cccc(-c3nn[n-]n3)c2)CCN1Cc1ccccc1	ZINC000737678945	598918789	/nfs/dbraw/zinc/91/87/89/598918789.db2.gz	MYXWWUGGUZMFPC-IBGZPJMESA-N	-1	3	359.437	2.077	20	30		FEEDHM
CC(C)COc1ncccc1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1	ZINC000735845341	598924572	/nfs/dbraw/zinc/92/45/72/598924572.db2.gz	WTYAWYDAQBNRPU-UHFFFAOYSA-N	-1	3	363.381	2.420	20	30		FEEDHM
CC(C)COc1ncccc1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1	ZINC000735845341	598924574	/nfs/dbraw/zinc/92/45/74/598924574.db2.gz	WTYAWYDAQBNRPU-UHFFFAOYSA-N	-1	3	363.381	2.420	20	30		FEEDHM
CC(=O)Nc1cc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)ccc1F	ZINC000735481271	598926523	/nfs/dbraw/zinc/92/65/23/598926523.db2.gz	IAENDACOPQUVFH-UHFFFAOYSA-N	-1	3	365.328	2.088	20	30		FEEDHM
CC(=O)Nc1cc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)ccc1F	ZINC000735481271	598926525	/nfs/dbraw/zinc/92/65/25/598926525.db2.gz	IAENDACOPQUVFH-UHFFFAOYSA-N	-1	3	365.328	2.088	20	30		FEEDHM
N#Cc1cc(NC(=O)C2=NO[C@@H](c3ccccc3)C2)ccc1-c1nnn[n-]1	ZINC000737705798	598926744	/nfs/dbraw/zinc/92/67/44/598926744.db2.gz	RFRAWQDKMMKPCO-MRXNPFEDSA-N	-1	3	359.349	2.194	20	30		FEEDHM
N#Cc1cc(NC(=O)C2=NO[C@@H](c3ccccc3)C2)ccc1-c1nn[n-]n1	ZINC000737705798	598926745	/nfs/dbraw/zinc/92/67/45/598926745.db2.gz	RFRAWQDKMMKPCO-MRXNPFEDSA-N	-1	3	359.349	2.194	20	30		FEEDHM
N#Cc1cc(NC(=O)c2cncn2-c2ccc(F)cc2)ccc1-c1nnn[n-]1	ZINC000737710496	598927392	/nfs/dbraw/zinc/92/73/92/598927392.db2.gz	VDDONKWNTFFNKW-UHFFFAOYSA-N	-1	3	374.339	2.315	20	30		FEEDHM
N#Cc1cc(NC(=O)c2cncn2-c2ccc(F)cc2)ccc1-c1nn[n-]n1	ZINC000737710496	598927393	/nfs/dbraw/zinc/92/73/93/598927393.db2.gz	VDDONKWNTFFNKW-UHFFFAOYSA-N	-1	3	374.339	2.315	20	30		FEEDHM
N#Cc1cc(NC(=O)c2cc3ccccc3oc2=O)ccc1-c1nn[n-]n1	ZINC000737710505	598927656	/nfs/dbraw/zinc/92/76/56/598927656.db2.gz	YQHJRPQRFYEJQD-UHFFFAOYSA-N	-1	3	358.317	2.097	20	30		FEEDHM
Cc1ccc(C#N)cc1S(=O)(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1	ZINC000737305274	598952420	/nfs/dbraw/zinc/95/24/20/598952420.db2.gz	GHCYJGDRUVZXSX-LBPRGKRZSA-N	-1	3	368.422	2.086	20	30		FEEDHM
Cc1ccc(C#N)cc1S(=O)(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1	ZINC000737305274	598952422	/nfs/dbraw/zinc/95/24/22/598952422.db2.gz	GHCYJGDRUVZXSX-LBPRGKRZSA-N	-1	3	368.422	2.086	20	30		FEEDHM
C(=NNCc1ccc(-c2nnn[n-]2)cc1)c1cnn(Cc2ccccc2)c1	ZINC000819718476	607253783	/nfs/dbraw/zinc/25/37/83/607253783.db2.gz	IWUPVCZDYXUAOU-UHFFFAOYSA-N	-1	3	358.409	2.235	20	30		FEEDHM
C(=NNCc1ccc(-c2nn[n-]n2)cc1)c1cnn(Cc2ccccc2)c1	ZINC000819718476	607253784	/nfs/dbraw/zinc/25/37/84/607253784.db2.gz	IWUPVCZDYXUAOU-UHFFFAOYSA-N	-1	3	358.409	2.235	20	30		FEEDHM
CC(=O)N(c1nc(C=NNc2ccc(-c3nn[n-]n3)cc2)cs1)C1CC1	ZINC000735461323	598977064	/nfs/dbraw/zinc/97/70/64/598977064.db2.gz	PTZSDVBADNEIDR-UHFFFAOYSA-N	-1	3	368.426	2.285	20	30		FEEDHM
CS(=O)(=O)c1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2)cc1F	ZINC000737173975	599157100	/nfs/dbraw/zinc/15/71/00/599157100.db2.gz	PQLAZRCWCGGNMI-YWEYNIOJSA-N	-1	3	372.381	2.305	20	30		FEEDHM
CS(=O)(=O)c1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2)cc1F	ZINC000737173975	599157101	/nfs/dbraw/zinc/15/71/01/599157101.db2.gz	PQLAZRCWCGGNMI-YWEYNIOJSA-N	-1	3	372.381	2.305	20	30		FEEDHM
Cc1c(C(=O)C=Cc2csnn2)cnn1-c1ccc(-c2nn[n-]n2)cc1	ZINC000737201315	599157785	/nfs/dbraw/zinc/15/77/85/599157785.db2.gz	CHKNZTUKMBAIEG-DAXSKMNVSA-N	-1	3	364.394	2.108	20	30		FEEDHM
C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@@]1(C#N)CCC[C@@H](C)C1	ZINC000736245755	599201657	/nfs/dbraw/zinc/20/16/57/599201657.db2.gz	WEIJLGOUHSKNLI-VFVRVIDISA-N	-1	3	354.414	2.223	20	30		FEEDHM
C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@@]1(C#N)CCC[C@@H](C)C1	ZINC000736245755	599201659	/nfs/dbraw/zinc/20/16/59/599201659.db2.gz	WEIJLGOUHSKNLI-VFVRVIDISA-N	-1	3	354.414	2.223	20	30		FEEDHM
C[C@H](C#N)COC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1	ZINC000819856321	607323201	/nfs/dbraw/zinc/32/32/01/607323201.db2.gz	IBLLZXSMZRGHTI-LLVKDONJSA-N	-1	3	350.338	2.370	20	30		FEEDHM
C[C@H](C#N)COC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1	ZINC000819856321	607323202	/nfs/dbraw/zinc/32/32/02/607323202.db2.gz	IBLLZXSMZRGHTI-LLVKDONJSA-N	-1	3	350.338	2.370	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCc1ncccc1C	ZINC000735421104	598272097	/nfs/dbraw/zinc/27/20/97/598272097.db2.gz	XRMTZURXKWJUCP-UHFFFAOYSA-N	-1	3	363.425	2.468	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCc1ncccc1C	ZINC000735421104	598272098	/nfs/dbraw/zinc/27/20/98/598272098.db2.gz	XRMTZURXKWJUCP-UHFFFAOYSA-N	-1	3	363.425	2.468	20	30		FEEDHM
C#CC[C@H](OC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1)c1ccccn1	ZINC000735375045	598291737	/nfs/dbraw/zinc/29/17/37/598291737.db2.gz	IMBXRULABCEERC-GUYCJALGSA-N	-1	3	363.377	2.337	20	30		FEEDHM
C#CC[C@H](OC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1)c1ccccn1	ZINC000735375045	598291738	/nfs/dbraw/zinc/29/17/38/598291738.db2.gz	IMBXRULABCEERC-GUYCJALGSA-N	-1	3	363.377	2.337	20	30		FEEDHM
C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)c1ccc(C#N)cc1F	ZINC000736163354	598310822	/nfs/dbraw/zinc/31/08/22/598310822.db2.gz	IFAFFAULJDTIMK-NSHDSACASA-N	-1	3	366.356	2.308	20	30		FEEDHM
C#CCOc1cccc(OC(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)c1	ZINC000735387930	598421856	/nfs/dbraw/zinc/42/18/56/598421856.db2.gz	LIGFPXFGWTZSMH-CYBMUJFWSA-N	-1	3	364.361	2.252	20	30		FEEDHM
CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)COc1ccccc1C#N	ZINC000735661911	598488040	/nfs/dbraw/zinc/48/80/40/598488040.db2.gz	YNBWHNVPGCCPPN-UHFFFAOYSA-N	-1	3	365.397	2.312	20	30		FEEDHM
CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)COc1ccccc1C#N	ZINC000735661911	598488041	/nfs/dbraw/zinc/48/80/41/598488041.db2.gz	YNBWHNVPGCCPPN-UHFFFAOYSA-N	-1	3	365.397	2.312	20	30		FEEDHM
C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1	ZINC000736191495	598585408	/nfs/dbraw/zinc/58/54/08/598585408.db2.gz	ZULGZKXNXYAVQL-SNVBAGLBSA-N	-1	3	352.329	2.283	20	30		FEEDHM
C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1	ZINC000736191495	598585410	/nfs/dbraw/zinc/58/54/10/598585410.db2.gz	ZULGZKXNXYAVQL-SNVBAGLBSA-N	-1	3	352.329	2.283	20	30		FEEDHM
CC(C)CN(c1ccc(-c2nn[n-]n2)cc1)S(=O)(=O)CCCCC#N	ZINC000735830854	598594338	/nfs/dbraw/zinc/59/43/38/598594338.db2.gz	KEHQHAKUGYZSQD-UHFFFAOYSA-N	-1	3	362.459	2.353	20	30		FEEDHM
CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccc(C#N)cn1	ZINC000735734243	598662762	/nfs/dbraw/zinc/66/27/62/598662762.db2.gz	FRGZHFUHUCZHQI-INIZCTEOSA-N	-1	3	363.381	2.175	20	30		FEEDHM
CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccc(C#N)cn1	ZINC000735734243	598662763	/nfs/dbraw/zinc/66/27/63/598662763.db2.gz	FRGZHFUHUCZHQI-INIZCTEOSA-N	-1	3	363.381	2.175	20	30		FEEDHM
O=C(C=NOCCCOc1ccc(-c2nn[n-]n2)cc1)Nc1ccccc1	ZINC000737808006	598699524	/nfs/dbraw/zinc/69/95/24/598699524.db2.gz	OTBZGFNOYJURMA-UHFFFAOYSA-N	-1	3	366.381	2.277	20	30		FEEDHM
CC(C)CCN(CCC#N)C(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1	ZINC000735803505	598752447	/nfs/dbraw/zinc/75/24/47/598752447.db2.gz	FUCQZJMTBJFGNN-CQSZACIVSA-N	-1	3	356.430	2.422	20	30		FEEDHM
CC(C)CCN(CCC#N)C(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1	ZINC000735803505	598752448	/nfs/dbraw/zinc/75/24/48/598752448.db2.gz	FUCQZJMTBJFGNN-CQSZACIVSA-N	-1	3	356.430	2.422	20	30		FEEDHM
N#Cc1cc(Cl)ccc1N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1	ZINC000737705458	598792604	/nfs/dbraw/zinc/79/26/04/598792604.db2.gz	PYNVGFSAGXSVPI-UHFFFAOYSA-N	-1	3	366.816	2.113	20	30		FEEDHM
N#Cc1cc(Cl)ccc1N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1	ZINC000737705458	598792605	/nfs/dbraw/zinc/79/26/05/598792605.db2.gz	PYNVGFSAGXSVPI-UHFFFAOYSA-N	-1	3	366.816	2.113	20	30		FEEDHM
N#Cc1cc(Cl)ccc1N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1	ZINC000737703624	598794729	/nfs/dbraw/zinc/79/47/29/598794729.db2.gz	DKOQCGNACWOAJU-UHFFFAOYSA-N	-1	3	366.816	2.113	20	30		FEEDHM
N#Cc1cc(Cl)ccc1N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1	ZINC000737703624	598794730	/nfs/dbraw/zinc/79/47/30/598794730.db2.gz	DKOQCGNACWOAJU-UHFFFAOYSA-N	-1	3	366.816	2.113	20	30		FEEDHM
Cc1cc(-c2nnn[n-]2)cc(C)c1OS(=O)(=O)c1cccc(C#N)c1	ZINC000822136218	599360023	/nfs/dbraw/zinc/36/00/23/599360023.db2.gz	JUTALFYZRKMKFH-UHFFFAOYSA-N	-1	3	355.379	2.123	20	30		FEEDHM
Cc1cc(-c2nn[n-]n2)cc(C)c1OS(=O)(=O)c1cccc(C#N)c1	ZINC000822136218	599360025	/nfs/dbraw/zinc/36/00/25/599360025.db2.gz	JUTALFYZRKMKFH-UHFFFAOYSA-N	-1	3	355.379	2.123	20	30		FEEDHM
C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](C)c1cccc(C#N)c1	ZINC000820530259	599527162	/nfs/dbraw/zinc/52/71/62/599527162.db2.gz	YXMDVSZCNOUXBV-QWHCGFSZSA-N	-1	3	362.393	2.383	20	30		FEEDHM
CN(Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1ccc(-c2nnn[n-]2)cc1	ZINC000821609836	599559280	/nfs/dbraw/zinc/55/92/80/599559280.db2.gz	NYAVGZPIXUWUHW-UHFFFAOYSA-N	-1	3	372.392	2.420	20	30		FEEDHM
CN(Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1ccc(-c2nn[n-]n2)cc1	ZINC000821609836	599559282	/nfs/dbraw/zinc/55/92/82/599559282.db2.gz	NYAVGZPIXUWUHW-UHFFFAOYSA-N	-1	3	372.392	2.420	20	30		FEEDHM
N#Cc1ccc(CCC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1	ZINC000826385103	607414811	/nfs/dbraw/zinc/41/48/11/607414811.db2.gz	XKNIWRNYOHYXNW-UHFFFAOYSA-N	-1	3	358.405	2.476	20	30		FEEDHM
N#Cc1ccc(CCC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1	ZINC000826385103	607414812	/nfs/dbraw/zinc/41/48/12/607414812.db2.gz	XKNIWRNYOHYXNW-UHFFFAOYSA-N	-1	3	358.405	2.476	20	30		FEEDHM
N#CCC[C@H](NC(=O)COc1cccc(-c2nnn[n-]2)c1)c1ccccc1	ZINC000826381283	607428829	/nfs/dbraw/zinc/42/88/29/607428829.db2.gz	FWFVMIZVJUUINW-KRWDZBQOSA-N	-1	3	362.393	2.407	20	30		FEEDHM
N#CCC[C@H](NC(=O)COc1cccc(-c2nn[n-]n2)c1)c1ccccc1	ZINC000826381283	607428830	/nfs/dbraw/zinc/42/88/30/607428830.db2.gz	FWFVMIZVJUUINW-KRWDZBQOSA-N	-1	3	362.393	2.407	20	30		FEEDHM
C[C@H](NC(=O)[O-])[C@@H]1CCCCN1CCC(=O)Nc1sccc1C#N	ZINC000739011642	602266151	/nfs/dbraw/zinc/26/61/51/602266151.db2.gz	QJZXROVIEFPKRB-AAEUAGOBSA-N	-1	3	350.444	2.459	20	30		FEEDHM
CN(CC1CCN(CCC(=O)Nc2sccc2C#N)CC1)C(=O)[O-]	ZINC000739667182	602387107	/nfs/dbraw/zinc/38/71/07/602387107.db2.gz	ZLNONVAWAUWAKT-UHFFFAOYSA-N	-1	3	350.444	2.270	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cnc2n1CCCC2	ZINC000823914130	607565712	/nfs/dbraw/zinc/56/57/12/607565712.db2.gz	AWJCFLIJFARBOT-UHFFFAOYSA-N	-1	3	363.425	2.228	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cnc2n1CCCC2	ZINC000823914130	607565714	/nfs/dbraw/zinc/56/57/14/607565714.db2.gz	AWJCFLIJFARBOT-UHFFFAOYSA-N	-1	3	363.425	2.228	20	30		FEEDHM
C#CCOc1ccc(Br)cc1CN[C@H]1CCN(C(=O)[O-])C1	ZINC000738468256	602879090	/nfs/dbraw/zinc/87/90/90/602879090.db2.gz	YPBMPCAHZHDTNB-ZDUSSCGKSA-N	-1	3	353.216	2.303	20	30		FEEDHM
C#CCN(C1CCCCC1)S(=O)(=O)c1cccc(C)c1-c1nnn[n-]1	ZINC000823844794	607599787	/nfs/dbraw/zinc/59/97/87/607599787.db2.gz	IWVZXZXTIJNQJV-UHFFFAOYSA-N	-1	3	359.455	2.132	20	30		FEEDHM
C#CCN(C1CCCCC1)S(=O)(=O)c1cccc(C)c1-c1nn[n-]n1	ZINC000823844794	607599788	/nfs/dbraw/zinc/59/97/88/607599788.db2.gz	IWVZXZXTIJNQJV-UHFFFAOYSA-N	-1	3	359.455	2.132	20	30		FEEDHM
CC(C)[C@](C)(CNC(=O)[O-])NCC(=O)Nc1cc(Cl)ccc1C#N	ZINC000738771726	603135081	/nfs/dbraw/zinc/13/50/81/603135081.db2.gz	MPULNKSJPHTXOO-INIZCTEOSA-N	-1	3	352.822	2.422	20	30		FEEDHM
COc1ccc(CNC(=O)Nc2cc(-c3nnn[n-]3)ccc2C)cc1C#N	ZINC000826200528	607618756	/nfs/dbraw/zinc/61/87/56/607618756.db2.gz	UVPNLXXLFNOLBU-UHFFFAOYSA-N	-1	3	363.381	2.377	20	30		FEEDHM
COc1ccc(CNC(=O)Nc2cc(-c3nn[n-]n3)ccc2C)cc1C#N	ZINC000826200528	607618758	/nfs/dbraw/zinc/61/87/58/607618758.db2.gz	UVPNLXXLFNOLBU-UHFFFAOYSA-N	-1	3	363.381	2.377	20	30		FEEDHM
Cc1csc(=NC[C@H]2CCCO2)n1N=Cc1cccc(-c2nnn[n-]2)c1	ZINC000826320244	607634406	/nfs/dbraw/zinc/63/44/06/607634406.db2.gz	KKISRSXVEOQXAD-OAHLLOKOSA-N	-1	3	369.454	2.000	20	30		FEEDHM
Cc1csc(=NC[C@H]2CCCO2)n1N=Cc1cccc(-c2nn[n-]n2)c1	ZINC000826320244	607634408	/nfs/dbraw/zinc/63/44/08/607634408.db2.gz	KKISRSXVEOQXAD-OAHLLOKOSA-N	-1	3	369.454	2.000	20	30		FEEDHM
C=C(C)CN1CCC(NC(=O)NC[C@H](NC(=O)[O-])c2ccccc2)CC1	ZINC000823480483	603768491	/nfs/dbraw/zinc/76/84/91/603768491.db2.gz	DQCOKIMKQSUYQH-KRWDZBQOSA-N	-1	3	360.458	2.335	20	30		FEEDHM
CC(C)(C(=O)[O-])[C@H]1CCCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000833417345	604940512	/nfs/dbraw/zinc/94/05/12/604940512.db2.gz	QDWIDMSCKBTZJN-RDJZCZTQSA-N	-1	3	355.438	2.486	20	30		FEEDHM
C=CCCO[C@@H](C)C(=O)Nc1ccc(NC(=O)OCC)c(-c2nnn[n-]2)c1	ZINC000823898846	607759673	/nfs/dbraw/zinc/75/96/73/607759673.db2.gz	DPNIZJGUOZLFKC-NSHDSACASA-N	-1	3	374.401	2.355	20	30		FEEDHM
C=CCCO[C@@H](C)C(=O)Nc1ccc(NC(=O)OCC)c(-c2nn[n-]n2)c1	ZINC000823898846	607759674	/nfs/dbraw/zinc/75/96/74/607759674.db2.gz	DPNIZJGUOZLFKC-NSHDSACASA-N	-1	3	374.401	2.355	20	30		FEEDHM
C=CCCCC(=O)Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1	ZINC000819734303	606286573	/nfs/dbraw/zinc/28/65/73/606286573.db2.gz	LGZVPIRJZKEWRI-UHFFFAOYSA-N	-1	3	356.430	2.123	20	30		FEEDHM
C=CCCCC(=O)Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1	ZINC000819734303	606286575	/nfs/dbraw/zinc/28/65/75/606286575.db2.gz	LGZVPIRJZKEWRI-UHFFFAOYSA-N	-1	3	356.430	2.123	20	30		FEEDHM
COC(=O)[C@@H](c1cccc(C#N)c1)N(C)Cc1cccc(-c2nnn[n-]2)c1	ZINC000821651634	606315806	/nfs/dbraw/zinc/31/58/06/606315806.db2.gz	CSRQOQLEPNCHKZ-QGZVFWFLSA-N	-1	3	362.393	2.084	20	30		FEEDHM
COC(=O)[C@@H](c1cccc(C#N)c1)N(C)Cc1cccc(-c2nn[n-]n2)c1	ZINC000821651634	606315808	/nfs/dbraw/zinc/31/58/08/606315808.db2.gz	CSRQOQLEPNCHKZ-QGZVFWFLSA-N	-1	3	362.393	2.084	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)CCSc2ccc(-c3nnn[n-]3)cc2)cc1	ZINC000822833370	606330288	/nfs/dbraw/zinc/33/02/88/606330288.db2.gz	OWNOCUHSYPMBEC-UHFFFAOYSA-N	-1	3	371.447	2.304	20	30		FEEDHM
N#Cc1ccc(S(=O)(=O)CCSc2ccc(-c3nn[n-]n3)cc2)cc1	ZINC000822833370	606330289	/nfs/dbraw/zinc/33/02/89/606330289.db2.gz	OWNOCUHSYPMBEC-UHFFFAOYSA-N	-1	3	371.447	2.304	20	30		FEEDHM
O=C(COc1ccc(-c2nn[n-]n2)cc1)OCC#Cc1ccc(Cl)cc1	ZINC000823037343	606436008	/nfs/dbraw/zinc/43/60/08/606436008.db2.gz	VQDXZKPLXUIROL-UHFFFAOYSA-N	-1	3	368.780	2.494	20	30		FEEDHM
Cc1nc(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)sc1SCC#N	ZINC000822449855	606512582	/nfs/dbraw/zinc/51/25/82/606512582.db2.gz	RXTUVENELJGOOE-UHFFFAOYSA-N	-1	3	371.451	2.429	20	30		FEEDHM
Cc1nc(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)sc1SCC#N	ZINC000822449855	606512584	/nfs/dbraw/zinc/51/25/84/606512584.db2.gz	RXTUVENELJGOOE-UHFFFAOYSA-N	-1	3	371.451	2.429	20	30		FEEDHM
N#Cc1ccc(COC(=O)c2cc(-c3nnn[n-]3)c[nH]2)c(OC(F)F)c1	ZINC000822825731	606561416	/nfs/dbraw/zinc/56/14/16/606561416.db2.gz	NGUVTFOBJWOQHQ-UHFFFAOYSA-N	-1	3	360.280	2.025	20	30		FEEDHM
N#Cc1ccc(COC(=O)c2cc(-c3nn[n-]n3)c[nH]2)c(OC(F)F)c1	ZINC000822825731	606561418	/nfs/dbraw/zinc/56/14/18/606561418.db2.gz	NGUVTFOBJWOQHQ-UHFFFAOYSA-N	-1	3	360.280	2.025	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1C#N	ZINC000822830125	606681270	/nfs/dbraw/zinc/68/12/70/606681270.db2.gz	VKHCYGOSPFPSRS-UHFFFAOYSA-N	-1	3	351.276	2.141	20	30		FEEDHM
N#Cc1ccc(NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1C#N	ZINC000822830125	606681271	/nfs/dbraw/zinc/68/12/71/606681271.db2.gz	VKHCYGOSPFPSRS-UHFFFAOYSA-N	-1	3	351.276	2.141	20	30		FEEDHM
N#Cc1cc(F)c(C(=O)OCCOc2ccc(-c3nn[n-]n3)cc2)c(F)c1	ZINC000822819218	606749608	/nfs/dbraw/zinc/74/96/08/606749608.db2.gz	MVTIYKXUIQCRNE-UHFFFAOYSA-N	-1	3	371.303	2.252	20	30		FEEDHM
N#CCOc1ccc(COC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1	ZINC000822814476	606756315	/nfs/dbraw/zinc/75/63/15/606756315.db2.gz	FQJPUTUPKDECEN-UHFFFAOYSA-N	-1	3	371.303	2.404	20	30		FEEDHM
N#CCOc1ccc(COC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1	ZINC000822814476	606756316	/nfs/dbraw/zinc/75/63/16/606756316.db2.gz	FQJPUTUPKDECEN-UHFFFAOYSA-N	-1	3	371.303	2.404	20	30		FEEDHM
N#Cc1ccc(NS(=O)(=O)c2ccccc2-c2nnn[n-]2)c(Cl)c1	ZINC000822833682	607122948	/nfs/dbraw/zinc/12/29/48/607122948.db2.gz	UXZJSXXCTJGLNM-UHFFFAOYSA-N	-1	3	360.786	2.193	20	30		FEEDHM
Cc1noc(C)c1[C@@H](C)CC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1	ZINC000826338033	607830038	/nfs/dbraw/zinc/83/00/38/607830038.db2.gz	ITTSDICAXIVNAR-VIFPVBQESA-N	-1	3	351.370	2.476	20	30		FEEDHM
Cc1noc(C)c1[C@@H](C)CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1	ZINC000826338033	607830039	/nfs/dbraw/zinc/83/00/39/607830039.db2.gz	ITTSDICAXIVNAR-VIFPVBQESA-N	-1	3	351.370	2.476	20	30		FEEDHM
Fc1cc(-c2nnn[n-]2)ccc1CN=Nc1ccc(C(F)(F)F)nn1	ZINC000826371777	607844083	/nfs/dbraw/zinc/84/40/83/607844083.db2.gz	UBEIFOMCNXUKLY-UHFFFAOYSA-N	-1	3	352.255	2.261	20	30		FEEDHM
Fc1cc(-c2nn[n-]n2)ccc1CN=Nc1ccc(C(F)(F)F)nn1	ZINC000826371777	607844084	/nfs/dbraw/zinc/84/40/84/607844084.db2.gz	UBEIFOMCNXUKLY-UHFFFAOYSA-N	-1	3	352.255	2.261	20	30		FEEDHM
N#Cc1ccc([C@@H](O)Cn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)cc1	ZINC000826384857	607868575	/nfs/dbraw/zinc/86/85/75/607868575.db2.gz	MDERJLUTXWEOQH-SFHVURJKSA-N	-1	3	357.377	2.335	20	30		FEEDHM
N#Cc1ccc([C@@H](O)Cn2ccc(-c3ccc(-c4nn[n-]n4)cc3)n2)cc1	ZINC000826384857	607868576	/nfs/dbraw/zinc/86/85/76/607868576.db2.gz	MDERJLUTXWEOQH-SFHVURJKSA-N	-1	3	357.377	2.335	20	30		FEEDHM
COc1ccccc1NC(=S)NN=Cc1ccccc1-c1nnn[n-]1	ZINC000826220355	607881965	/nfs/dbraw/zinc/88/19/65/607881965.db2.gz	LFFDPIYRMJOBFV-UHFFFAOYSA-N	-1	3	353.411	2.196	20	30		FEEDHM
COc1ccccc1NC(=S)NN=Cc1ccccc1-c1nn[n-]n1	ZINC000826220355	607881966	/nfs/dbraw/zinc/88/19/66/607881966.db2.gz	LFFDPIYRMJOBFV-UHFFFAOYSA-N	-1	3	353.411	2.196	20	30		FEEDHM
C[C@@H]1CCC[C@H](NC(=S)NN=Cc2ccccc2-c2nnn[n-]2)[C@H]1C	ZINC000824927282	607883261	/nfs/dbraw/zinc/88/32/61/607883261.db2.gz	NMSGGFVCZZJKHR-XUJVJEKNSA-N	-1	3	357.487	2.489	20	30		FEEDHM
C[C@@H]1CCC[C@H](NC(=S)NN=Cc2ccccc2-c2nn[n-]n2)[C@H]1C	ZINC000824927282	607883262	/nfs/dbraw/zinc/88/32/62/607883262.db2.gz	NMSGGFVCZZJKHR-XUJVJEKNSA-N	-1	3	357.487	2.489	20	30		FEEDHM
C#CC[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C)c1ccccc1	ZINC000823837515	607938618	/nfs/dbraw/zinc/93/86/18/607938618.db2.gz	DHWQTWIYMYTTOX-MRXNPFEDSA-N	-1	3	367.434	2.218	20	30		FEEDHM
C#CC[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C)c1ccccc1	ZINC000823837515	607938619	/nfs/dbraw/zinc/93/86/19/607938619.db2.gz	DHWQTWIYMYTTOX-MRXNPFEDSA-N	-1	3	367.434	2.218	20	30		FEEDHM
C=CCCOCCNC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F	ZINC000823899581	607960732	/nfs/dbraw/zinc/96/07/32/607960732.db2.gz	YRGFHKBWZZNMIC-UHFFFAOYSA-N	-1	3	368.344	2.182	20	30		FEEDHM
C=CCCOCCNC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F	ZINC000823899581	607960733	/nfs/dbraw/zinc/96/07/33/607960733.db2.gz	YRGFHKBWZZNMIC-UHFFFAOYSA-N	-1	3	368.344	2.182	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1CCC(=O)[C@H](C)C1	ZINC000823909750	608120096	/nfs/dbraw/zinc/12/00/96/608120096.db2.gz	PKIJYBCCVSRZMR-CZUORRHYSA-N	-1	3	353.426	2.387	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1CCC(=O)[C@H](C)C1	ZINC000823909750	608120097	/nfs/dbraw/zinc/12/00/97/608120097.db2.gz	PKIJYBCCVSRZMR-CZUORRHYSA-N	-1	3	353.426	2.387	20	30		FEEDHM
COc1ccc(-c2nnn[n-]2)cc1CON=CC(=O)Nc1ccc(F)cc1	ZINC000826184764	608150788	/nfs/dbraw/zinc/15/07/88/608150788.db2.gz	JUAXRNWLGXGKGW-UHFFFAOYSA-N	-1	3	370.344	2.156	20	30		FEEDHM
COc1ccc(-c2nn[n-]n2)cc1CON=CC(=O)Nc1ccc(F)cc1	ZINC000826184764	608150790	/nfs/dbraw/zinc/15/07/90/608150790.db2.gz	JUAXRNWLGXGKGW-UHFFFAOYSA-N	-1	3	370.344	2.156	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@H]1CCO[C@H](C)C1	ZINC000823909648	608203547	/nfs/dbraw/zinc/20/35/47/608203547.db2.gz	MHJKRTMQPDIRGV-CABCVRRESA-N	-1	3	370.457	2.379	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@H]1CCO[C@H](C)C1	ZINC000823909648	608203549	/nfs/dbraw/zinc/20/35/49/608203549.db2.gz	MHJKRTMQPDIRGV-CABCVRRESA-N	-1	3	370.457	2.379	20	30		FEEDHM
COc1ccc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)cc1OC	ZINC000826190421	608539389	/nfs/dbraw/zinc/53/93/89/608539389.db2.gz	ANFBXBHUVDORFQ-UHFFFAOYSA-N	-1	3	359.777	2.378	20	30		FEEDHM
COc1ccc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)cc1OC	ZINC000826190421	608539391	/nfs/dbraw/zinc/53/93/91/608539391.db2.gz	ANFBXBHUVDORFQ-UHFFFAOYSA-N	-1	3	359.777	2.378	20	30		FEEDHM
N#Cc1cccc(CN2CCN(c3ccccc3-c3nnn[n-]3)CC2)c1F	ZINC000826386505	608649361	/nfs/dbraw/zinc/64/93/61/608649361.db2.gz	HVAICVVRPKHKHW-UHFFFAOYSA-N	-1	3	363.400	2.200	20	30		FEEDHM
N#Cc1cccc(CN2CCN(c3ccccc3-c3nn[n-]n3)CC2)c1F	ZINC000826386505	608649362	/nfs/dbraw/zinc/64/93/62/608649362.db2.gz	HVAICVVRPKHKHW-UHFFFAOYSA-N	-1	3	363.400	2.200	20	30		FEEDHM
O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc2[nH]c(=O)[nH]c2c1	ZINC000826401066	608878443	/nfs/dbraw/zinc/87/84/43/608878443.db2.gz	OVGGPXANAPSEHW-KXFIGUGUSA-N	-1	3	350.313	2.484	20	30		FEEDHM
O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc2[nH]c(=O)[nH]c2c1	ZINC000826401066	608878446	/nfs/dbraw/zinc/87/84/46/608878446.db2.gz	OVGGPXANAPSEHW-KXFIGUGUSA-N	-1	3	350.313	2.484	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc(C)[nH]c(=O)c1	ZINC000823914146	609258053	/nfs/dbraw/zinc/25/80/53/609258053.db2.gz	BMJWFVNCPSGMDB-UHFFFAOYSA-N	-1	3	350.382	2.104	20	30		FEEDHM
C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc(C)[nH]c(=O)c1	ZINC000823914146	609258054	/nfs/dbraw/zinc/25/80/54/609258054.db2.gz	BMJWFVNCPSGMDB-UHFFFAOYSA-N	-1	3	350.382	2.104	20	30		FEEDHM
C[C@@H](C#N)Oc1ccccc1NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl	ZINC000824034090	609263318	/nfs/dbraw/zinc/26/33/18/609263318.db2.gz	GYKKKAUBFAALNT-VIFPVBQESA-N	-1	3	369.772	2.458	20	30		FEEDHM
C[C@@H](C#N)Oc1ccccc1NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl	ZINC000824034090	609263319	/nfs/dbraw/zinc/26/33/19/609263319.db2.gz	GYKKKAUBFAALNT-VIFPVBQESA-N	-1	3	369.772	2.458	20	30		FEEDHM
N#Cc1ccc(N2CCC[C@@H](Oc3ccc(-c4nn[n-]n4)cc3)C2=O)cc1	ZINC000826385212	609428286	/nfs/dbraw/zinc/42/82/86/609428286.db2.gz	BNLLJIKYPYIOFI-QGZVFWFLSA-N	-1	3	360.377	2.313	20	30		FEEDHM
Cc1cc(C(=O)N[C@@](C)(C#N)C(C)C)nn1-c1cccc(-c2nnn[n-]2)c1	ZINC000826258290	609514817	/nfs/dbraw/zinc/51/48/17/609514817.db2.gz	GJXLWUSIQJXKMV-SFHVURJKSA-N	-1	3	364.413	2.029	20	30		FEEDHM
Cc1cc(C(=O)N[C@@](C)(C#N)C(C)C)nn1-c1cccc(-c2nn[n-]n2)c1	ZINC000826258290	609514819	/nfs/dbraw/zinc/51/48/19/609514819.db2.gz	GJXLWUSIQJXKMV-SFHVURJKSA-N	-1	3	364.413	2.029	20	30		FEEDHM
CCc1cc(C[N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)on1	ZINC000562420421	674754129	/nfs/dbraw/zinc/75/41/29/674754129.db2.gz	KFNDALXVYODFSF-UHFFFAOYSA-N	-1	3	370.228	2.350	20	30		FEEDHM
CC(=N[N-]S(=O)(=O)Cc1ccccc1)c1cccc(-n2cnnc2)c1	ZINC000814816756	674881658	/nfs/dbraw/zinc/88/16/58/674881658.db2.gz	VAIGOXFSUZMPID-UHFFFAOYSA-N	-1	3	355.423	2.111	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)NCc2ccc(F)cc2)ccc1F	ZINC000029002123	670094147	/nfs/dbraw/zinc/09/41/47/670094147.db2.gz	PQRYYBBFFOGTQY-UHFFFAOYSA-N	-1	3	366.389	2.359	20	30		FEEDHM
O=C(N[C@H]1CCCN([O-])C1=O)c1cc2c(cc(Br)cc2F)[nH]1	ZINC000816755496	675077614	/nfs/dbraw/zinc/07/76/14/675077614.db2.gz	BLRMBCGGJDSRRH-JTQLQIEISA-N	-1	3	370.178	2.180	20	30		FEEDHM
N#Cc1cnn(C(=O)c2n[n-]c(-c3ccccc3)c2Br)c1N	ZINC000057557088	670369350	/nfs/dbraw/zinc/36/93/50/670369350.db2.gz	NZXLYLZNXIKUNC-UHFFFAOYSA-N	-1	3	357.171	2.178	20	30		FEEDHM
CN(C)C(=O)[C@@H]1CC[C@@H](C/N=C/c2cc(Br)ccc2[O-])O1	ZINC000091515489	670728055	/nfs/dbraw/zinc/72/80/55/670728055.db2.gz	NSMITWHPEPEMJF-RFGZAYNTSA-N	-1	3	355.232	2.209	20	30		FEEDHM
CCN(C[C@@H](C)C#N)C(=O)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F	ZINC000105595749	670803758	/nfs/dbraw/zinc/80/37/58/670803758.db2.gz	XDEIUUBUYCSWSN-JTQLQIEISA-N	-1	3	371.409	2.027	20	30		FEEDHM
C=CC1CCN(C(=O)c2c(F)ccc(S(=O)(=O)[N-]C3CC3)c2F)CC1	ZINC000110968766	670852922	/nfs/dbraw/zinc/85/29/22/670852922.db2.gz	AXVPFUJLEZYPJT-UHFFFAOYSA-N	-1	3	370.421	2.444	20	30		FEEDHM
C[C@H](CC(=O)OC[C@@H](C)C1CCC1)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000817752988	675174791	/nfs/dbraw/zinc/17/47/91/675174791.db2.gz	MUWWVGLPRKPPSH-CHWSQXEVSA-N	-1	3	364.467	2.483	20	30		FEEDHM
N#CCCCCCC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1	ZINC000588162223	672454575	/nfs/dbraw/zinc/45/45/75/672454575.db2.gz	ZYHDRUXDIKMFDE-UHFFFAOYSA-N	-1	3	363.892	2.270	20	30		FEEDHM
CCOC(=O)c1sc([N-]C(=O)c2cn(CC3CC3)nn2)c(C#N)c1C	ZINC000590975071	672638279	/nfs/dbraw/zinc/63/82/79/672638279.db2.gz	WQXPZSRJMCZLHA-UHFFFAOYSA-N	-1	3	359.411	2.359	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(F)nc2F)ccc1F	ZINC000193715593	672734240	/nfs/dbraw/zinc/73/42/40/672734240.db2.gz	CMSSHKLRKCQPNC-UHFFFAOYSA-N	-1	3	371.340	2.216	20	30		FEEDHM
C=C(C)C[C@@H](NC(C)=O)C(=O)NCc1ccc([O-])c(Br)c1	ZINC000612643246	676091793	/nfs/dbraw/zinc/09/17/93/676091793.db2.gz	NXVLPFQSSSYCTC-CYBMUJFWSA-N	-1	3	355.232	2.242	20	30		FEEDHM
CC[C@H](NC(=O)[C@H](C)[N-]S(=O)(=O)c1c(C)noc1C)C1CCOCC1	ZINC000329942553	673084779	/nfs/dbraw/zinc/08/47/79/673084779.db2.gz	HGWHZTWPLPYZBF-FZMZJTMJSA-N	-1	3	373.475	2.120	20	30		FEEDHM
CO[C@@H](CS(=O)(=O)[N-]C1(C#N)CCC(C(C)(C)C)CC1)[C@H]1CCOC1	ZINC000594723044	673123505	/nfs/dbraw/zinc/12/35/05/673123505.db2.gz	JTCYESPSQZDIID-VUGNNNGISA-N	-1	3	372.531	2.456	20	30		FEEDHM
COC(=O)[C@@]1([N-]S(=O)(=O)Cc2ccc(C#N)cc2)CC[C@@H](C)CC1	ZINC000594837718	673157761	/nfs/dbraw/zinc/15/77/61/673157761.db2.gz	SRPCZXNPQMUTOB-WJYNOGRTSA-N	-1	3	350.440	2.100	20	30		FEEDHM
C#CC[N-]S(=O)(=O)c1csc(-c2cccc(Br)c2)n1	ZINC000730811248	673291915	/nfs/dbraw/zinc/29/19/15/673291915.db2.gz	IYDLZSFEWXMUHK-UHFFFAOYSA-N	-1	3	357.254	2.484	20	30		FEEDHM
C#CCOc1ccccc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000734150574	673453792	/nfs/dbraw/zinc/45/37/92/673453792.db2.gz	IPKHXQULKUBEGI-UHFFFAOYSA-N	-1	3	352.393	2.147	20	30		FEEDHM
C=C(Cl)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1	ZINC000736342033	673520844	/nfs/dbraw/zinc/52/08/44/673520844.db2.gz	JXVWSOHIICHFTP-UHFFFAOYSA-N	-1	3	355.597	2.388	20	30		FEEDHM
Cc1cccc(NC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)c1	ZINC000742464998	673728878	/nfs/dbraw/zinc/72/88/78/673728878.db2.gz	YGYZAXUKGSETBA-ZDUSSCGKSA-N	-1	3	357.435	2.451	20	30		FEEDHM
CCc1cccc2c1NC(=O)C2=N[N-]S(=O)(=O)CCc1ccccc1	ZINC000743449207	673760094	/nfs/dbraw/zinc/76/00/94/673760094.db2.gz	QLVJSZFANVIYKA-UHFFFAOYSA-N	-1	3	357.435	2.067	20	30		FEEDHM
C=CCC[C@H]([N-]S(=O)(=O)CCc1noc2ccccc12)C(=O)OCC	ZINC000601431779	673861390	/nfs/dbraw/zinc/86/13/90/673861390.db2.gz	DNBMBOVSHLVDLZ-HNNXBMFYSA-N	-1	3	366.439	2.188	20	30		FEEDHM
CC(=N[N-]S(=O)(=O)CCc1ccccc1)c1ccc([S@](C)=O)cc1	ZINC000746372199	673875026	/nfs/dbraw/zinc/87/50/26/673875026.db2.gz	MHUNXPYQCMBOLI-QHCPKHFHSA-N	-1	3	364.492	2.310	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CC(CC(F)F)C2)ccc1F	ZINC000819729589	675312207	/nfs/dbraw/zinc/31/22/07/675312207.db2.gz	LGMJWYPXJKNBOR-UHFFFAOYSA-N	-1	3	362.373	2.017	20	30		FEEDHM
O=C(N[C@@H]1CCN([O-])C1=O)c1cc(C(F)(F)F)ccc1Br	ZINC000820150274	675339625	/nfs/dbraw/zinc/33/96/25/675339625.db2.gz	XGPDARQQOPOVQC-SECBINFHSA-N	-1	3	367.121	2.188	20	30		FEEDHM
C=CCc1ccccc1OC[C@H](O)CN1CCSC[C@@H]1CC(=O)[O-]	ZINC000568063581	675348108	/nfs/dbraw/zinc/34/81/08/675348108.db2.gz	MHNZCWDJLNGGHV-JKSUJKDBSA-N	-1	3	351.468	2.047	20	30		FEEDHM
Cc1cc(Br)ccc1SCC(=O)N[C@@H]1CCCN([O-])C1=O	ZINC000820471263	675364456	/nfs/dbraw/zinc/36/44/56/675364456.db2.gz	QTNMCUHPXCRUCO-LLVKDONJSA-N	-1	3	373.272	2.346	20	30		FEEDHM
Cc1nc(SC(F)(F)F)sc1CC(=O)N[C@H]1CCCN([O-])C1=O	ZINC000820476024	675364883	/nfs/dbraw/zinc/36/48/83/675364883.db2.gz	FWBRCRURSAQIPT-ZETCQYMHSA-N	-1	3	369.390	2.102	20	30		FEEDHM
CCCCC[C@@H]([N-]S(=O)(=O)Cc1ccc(CC#N)cc1)C(=O)OC	ZINC000827326913	675748607	/nfs/dbraw/zinc/74/86/07/675748607.db2.gz	RBGOFKZCFGFWCR-MRXNPFEDSA-N	-1	3	352.456	2.294	20	30		FEEDHM
N#Cc1ccc(CNC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)cc1Cl	ZINC000619749990	676393178	/nfs/dbraw/zinc/39/31/78/676393178.db2.gz	PYFCSVZCJGKQBM-UHFFFAOYSA-N	-1	3	354.753	2.417	20	30		FEEDHM
N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1cc2n(n1)CCCO2	ZINC000763929638	680795859	/nfs/dbraw/zinc/79/58/59/680795859.db2.gz	JGRUMXDRPYKYJB-JTQLQIEISA-N	-1	3	362.748	2.419	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCC=C(Cl)C2)ccc1F	ZINC000911836696	685268396	/nfs/dbraw/zinc/26/83/96/685268396.db2.gz	WTPXPLRIRFBYJV-UHFFFAOYSA-N	-1	3	358.822	2.259	20	30		FEEDHM
COc1c(F)cc(Br)cc1S(=O)(=O)[N-]C[C@@H](C)C#N	ZINC000748651559	679984696	/nfs/dbraw/zinc/98/46/96/679984696.db2.gz	NIZIKIUVOGGARU-ZETCQYMHSA-N	-1	3	351.197	2.035	20	30		FEEDHM
CC(C)CN(CCC#N)C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1	ZINC000751374609	680170091	/nfs/dbraw/zinc/17/00/91/680170091.db2.gz	OAEIXJGFKPMDSS-UHFFFAOYSA-N	-1	3	363.892	2.078	20	30		FEEDHM
CCCC1(CNC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)CC1	ZINC000759853571	680670081	/nfs/dbraw/zinc/67/00/81/680670081.db2.gz	MUVFIKRGHZLSRB-ZDUSSCGKSA-N	-1	3	363.483	2.200	20	30		FEEDHM
Cc1cc(C=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)ccc1C#N	ZINC000766448581	680877362	/nfs/dbraw/zinc/87/73/62/680877362.db2.gz	ZNQZGEYTCNPSCD-UHFFFAOYSA-N	-1	3	358.379	2.228	20	30		FEEDHM
C#CCSCC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000841493035	680887224	/nfs/dbraw/zinc/88/72/24/680887224.db2.gz	FKDYZTOTZCRYRW-UHFFFAOYSA-N	-1	3	368.358	2.258	20	30		FEEDHM
C#C[C@H](CC)OC(=O)[C@H](CCCC)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000768047638	680936077	/nfs/dbraw/zinc/93/60/77/680936077.db2.gz	KGNYKGYIFZZBOR-HIFRSBDPSA-N	-1	3	362.451	2.239	20	30		FEEDHM
C#C[C@H](CC)[N-]S(=O)(=O)c1cc(F)c(Br)cc1OC	ZINC000770379818	681014258	/nfs/dbraw/zinc/01/42/58/681014258.db2.gz	VDWZWBRDMJDJHQ-MRVPVSSYSA-N	-1	3	350.209	2.287	20	30		FEEDHM
C#C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)[C@H]1CCCO1	ZINC000773048950	681122550	/nfs/dbraw/zinc/12/25/50/681122550.db2.gz	IXLYYTOJFWDDFM-VXGBXAGGSA-N	-1	3	351.321	2.304	20	30		FEEDHM
CC(C)(C)[C@@H]([N-]S(C)(=O)=O)C(=O)OCC#Cc1cccc(Cl)c1	ZINC000773175047	681129114	/nfs/dbraw/zinc/12/91/14/681129114.db2.gz	UKAIGQAUFAHRQT-AWEZNQCLSA-N	-1	3	357.859	2.199	20	30		FEEDHM
C[C@@]1(CC[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C[C@@]1(F)Cl	ZINC000845984289	681169851	/nfs/dbraw/zinc/16/98/51/681169851.db2.gz	WJWRMYJAOSBDNN-OLZOCXBDSA-N	-1	3	361.782	2.449	20	30		FEEDHM
C#C[C@@H]([N-]C(=O)C(F)(F)c1ncccc1Br)C1CCOCC1	ZINC000912692842	685420402	/nfs/dbraw/zinc/42/04/02/685420402.db2.gz	NTISZIJTKUMPNN-GFCCVEGCSA-N	-1	3	373.197	2.481	20	30		FEEDHM
C[C@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)N[C@H]1CCCN([O-])C1=O	ZINC000848131483	681477518	/nfs/dbraw/zinc/47/75/18/681477518.db2.gz	HDJOZQXMDVIBRK-MFKMUULPSA-N	-1	3	360.332	2.260	20	30		FEEDHM
CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)NCC(C)(C)C#N)ccc1F	ZINC000782103165	682006714	/nfs/dbraw/zinc/00/67/14/682006714.db2.gz	RDXRYZVXJSWUDW-UHFFFAOYSA-N	-1	3	355.435	2.182	20	30		FEEDHM
N#Cc1cc(CS(=O)(=O)[N-]C2(C(=O)Nc3ccccc3)CC2)cs1	ZINC000914401403	685506803	/nfs/dbraw/zinc/50/68/03/685506803.db2.gz	LAIABKORBOSQDV-UHFFFAOYSA-N	-1	3	361.448	2.210	20	30		FEEDHM
C[N-]S(=O)(=O)c1cc(C(=O)OCc2ccc(C#N)c(C)c2)ccc1F	ZINC000784063237	682197225	/nfs/dbraw/zinc/19/72/25/682197225.db2.gz	BPUQQPYGGXHHBZ-UHFFFAOYSA-N	-1	3	362.382	2.271	20	30		FEEDHM
N#Cc1cnc2c(c1)CCCC2=N[N-]S(=O)(=O)CCc1ccccc1	ZINC000788427733	682529031	/nfs/dbraw/zinc/52/90/31/682529031.db2.gz	FVSWOWFGZVJUAJ-UHFFFAOYSA-N	-1	3	354.435	2.156	20	30		FEEDHM
CC(C)(C)OC(=O)C1(C(=O)N[C@H]2CCCN([O-])C2=O)CCCCCC1	ZINC000854648837	682575004	/nfs/dbraw/zinc/57/50/04/682575004.db2.gz	KRPDJEPGWKBYLQ-ZDUSSCGKSA-N	-1	3	354.447	2.165	20	30		FEEDHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)OCc2cc(C)ccn2)ccc1F	ZINC000791318185	682734721	/nfs/dbraw/zinc/73/47/21/682734721.db2.gz	PSPKBTKLAYZJMU-UHFFFAOYSA-N	-1	3	364.398	2.350	20	30		FEEDHM
CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N1[C@H](C)C[C@@H]1C	ZINC000792536485	682819243	/nfs/dbraw/zinc/81/92/43/682819243.db2.gz	XVUDVZYTVLPFDC-GUTXKFCHSA-N	-1	3	363.483	2.293	20	30		FEEDHM
CC(C)NS(=O)(=O)c1ccc(NN=Cc2c(F)ccc([O-])c2F)nc1	ZINC000794492038	682973182	/nfs/dbraw/zinc/97/31/82/682973182.db2.gz	ASOXCKONCYHZFI-UHFFFAOYSA-N	-1	3	370.381	2.198	20	30		FEEDHM
C[C@@](C#N)(NC(=O)COC(=O)c1cc([O-])cc(Br)c1)C1CC1	ZINC000860202863	683215633	/nfs/dbraw/zinc/21/56/33/683215633.db2.gz	RSDZDKNGGOCGHR-HNNXBMFYSA-N	-1	3	367.199	2.120	20	30		FEEDHM
O=C(N[C@H]1CCCN([O-])C1=O)c1ccc(Cl)cc1NCC(F)(F)F	ZINC000868561980	684511715	/nfs/dbraw/zinc/51/17/15/684511715.db2.gz	AZPYCGUODCUKKF-JTQLQIEISA-N	-1	3	365.739	2.424	20	30		FEEDHM
COc1cccc(C(=O)C[N-]S(=O)(=O)CC2(C#N)CCCCC2)c1	ZINC000872516725	684970071	/nfs/dbraw/zinc/97/00/71/684970071.db2.gz	GNFHNIJXDPOVJI-UHFFFAOYSA-N	-1	3	350.440	2.271	20	30		FEEDHM
Cc1cc(NC(=O)N[C@@H]2CCCN([O-])C2=O)nn1-c1ccccc1Cl	ZINC000879126879	686748125	/nfs/dbraw/zinc/74/81/25/686748125.db2.gz	NKYVSHRUOUENGL-GFCCVEGCSA-N	-1	3	363.805	2.336	20	30		FEEDHM
C=CCOC(=O)c1sc2[n-]c(-c3cnn(CCF)c3)nc(=O)c2c1C	ZINC000899233961	690323180	/nfs/dbraw/zinc/32/31/80/690323180.db2.gz	QTWLOQYCYWTOKR-UHFFFAOYSA-N	-1	3	362.386	2.469	20	30		FEEDHM
N#CC[C@@H]([N-]S(=O)(=O)c1c(Cl)nc2ccccn21)C(F)(F)F	ZINC000901774514	690693004	/nfs/dbraw/zinc/69/30/04/690693004.db2.gz	SKKGZKOSHTXUQW-SSDOTTSWSA-N	-1	3	352.725	2.111	20	30		FEEDHM
CC(C)(C)C(=O)NCC(=O)OCCC(=O)N([O-])Cc1ccccc1Cl	ZINC000904192268	691011536	/nfs/dbraw/zinc/01/15/36/691011536.db2.gz	GLQKQEUODGBADH-UHFFFAOYSA-N	-1	3	370.833	2.153	20	30		FEEDHM
CSc1[n-]c(=O)c(C(=O)N2CCN(C)C3(CCCCC3)C2)cc1C#N	ZINC000908576658	691701032	/nfs/dbraw/zinc/70/10/32/691701032.db2.gz	HMYFXYLLNFEGFJ-UHFFFAOYSA-N	-1	3	360.483	2.471	20	30		FEEDHM
C=C(Cl)C[C@H](NC(=O)NC[C@@H](Cc1ccccc1)N(C)C)C(=O)[O-]	ZINC000908748595	691722273	/nfs/dbraw/zinc/72/22/73/691722273.db2.gz	GCTJBPUCDFMMCI-CABCVRRESA-N	-1	3	353.850	2.054	20	30		FEEDHM