smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[nH]1	ZINC001032317360	799610281	/nfs/dbraw/zinc/61/02/81/799610281.db2.gz	SEDLNIQWOCTFLC-VGMNWLOBSA-N	0	2	276.300	-0.545	20	30		CBEDLN
C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CC[C@@H](C)C2)C1	ZINC001047528825	801893457	/nfs/dbraw/zinc/89/34/57/801893457.db2.gz	DFBMDNDPEFFDFC-RDBSUJKOSA-N	0	2	279.384	-0.535	20	30		CBEDLN
COc1ccc(NN=C2C(=O)NC(=O)NC2=O)nc1	ZINC001324217752	804121257	/nfs/dbraw/zinc/12/12/57/804121257.db2.gz	USZZSUMYDIOXAK-UHFFFAOYSA-N	0	2	263.213	-0.776	20	30		CBEDLN
C=CCCC(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[nH]2)C[C@H]1O	ZINC001099727401	810919520	/nfs/dbraw/zinc/91/95/20/810919520.db2.gz	OSCIOAILXGVPNI-NXEZZACHSA-N	0	2	295.343	-0.472	20	30		CBEDLN
C[C@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[nH]1	ZINC001109080277	811484383	/nfs/dbraw/zinc/48/43/83/811484383.db2.gz	PPNQSRYTLAGZOF-IMSYWVGJSA-N	0	2	290.327	-0.109	20	30		CBEDLN
C[C@@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[nH]1	ZINC001110396462	811525364	/nfs/dbraw/zinc/52/53/64/811525364.db2.gz	PPNQSRYTLAGZOF-JLIMGVALSA-N	0	2	290.327	-0.109	20	30		CBEDLN
CC(C)C#CC(=O)N1CCN(Cc2n[nH]c(=O)[nH]2)CC1	ZINC001112833036	811603925	/nfs/dbraw/zinc/60/39/25/811603925.db2.gz	DTRSYUVSURRROI-UHFFFAOYSA-N	0	2	277.328	-0.186	20	30		CBEDLN
C#CCN(CC1CC1)C(=O)Cn1[nH]cc2c(=O)ncnc1-2	ZINC001116368382	812249927	/nfs/dbraw/zinc/24/99/27/812249927.db2.gz	PSZUTTXVBBKYHM-UHFFFAOYSA-N	0	2	285.307	-0.057	20	30		CBEDLN
O=C(C[C@H]1S/C(=N/CC(F)F)NC1=O)NCCCO	ZINC001119378826	812771636	/nfs/dbraw/zinc/77/16/36/812771636.db2.gz	NWCOFYAZROYIPL-ZCFIWIBFSA-N	0	2	295.311	-0.272	20	30		CBEDLN
C#CC[C@@H](NC(=O)/C=C(/C)C[NH+]1CCOCC1)C(=O)[O-]	ZINC001119581844	812816530	/nfs/dbraw/zinc/81/65/30/812816530.db2.gz	NJNPLBKCWCZNCM-UCQJPZFISA-N	0	2	280.324	-0.142	20	30		CBEDLN
Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)[C@H]1CCC(=O)N1C	ZINC001122815274	813191171	/nfs/dbraw/zinc/19/11/71/813191171.db2.gz	BAKWVJYPWNPJQD-RKDXNWHRSA-N	0	2	274.280	-0.068	20	30		CBEDLN
C[C@@H](CNc1[nH]c(=O)n(C)c(=O)c1C#N)C[C@H](C)O	ZINC001162591481	815834833	/nfs/dbraw/zinc/83/48/33/815834833.db2.gz	LLGLHWBOASQEJF-SFYZADRCSA-N	0	2	266.301	-0.236	20	30		CBEDLN
N#C[C@@H](CO)NC(=O)c1ccc([N+](=O)[O-])cc1O	ZINC001297880155	816654028	/nfs/dbraw/zinc/65/40/28/816654028.db2.gz	JNLPPTPYDUDQTR-LURJTMIESA-N	0	2	251.198	-0.085	20	30		CBEDLN
N#C[C@]1(C(=O)NCCCc2n[nH]c(=O)[nH]2)CCCOC1	ZINC001306659422	816790865	/nfs/dbraw/zinc/79/08/65/816790865.db2.gz	DQJNVYOUPZRVCA-GFCCVEGCSA-N	0	2	279.300	-0.121	20	30		CBEDLN
C[C@@H](CO)CCCNc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001307087128	816795280	/nfs/dbraw/zinc/79/52/80/816795280.db2.gz	OSEPPZDKROYKCG-MRVPVSSYSA-N	0	2	266.301	-0.234	20	30		CBEDLN
CC(C)[C@H](O)CCNc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001306969282	816795338	/nfs/dbraw/zinc/79/53/38/816795338.db2.gz	OZNPXSVNRRFXNM-SECBINFHSA-N	0	2	266.301	-0.236	20	30		CBEDLN
COCCOCCN(C)c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001307134102	816797291	/nfs/dbraw/zinc/79/72/91/816797291.db2.gz	JYLCXPNESVKSLV-UHFFFAOYSA-N	0	2	282.300	-0.956	20	30		CBEDLN
C=C[C@@](C)(O)CC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[nH]2)C1	ZINC001318247382	817089875	/nfs/dbraw/zinc/08/98/75/817089875.db2.gz	CJENKPPEWBJEAV-TVQRCGJNSA-N	0	2	295.343	-0.472	20	30		CBEDLN
N#CCNC[C@@H](O)CNC(=O)C(F)C(F)(F)F	ZINC001320230496	817299374	/nfs/dbraw/zinc/29/93/74/817299374.db2.gz	JXIRGEZTMWIROP-PHDIDXHHSA-N	0	2	257.187	-0.523	20	30		CBEDLN
N#CCNC[C@@H](O)CNC(=O)[C@@H](F)C(F)(F)F	ZINC001320230496	817299386	/nfs/dbraw/zinc/29/93/86/817299386.db2.gz	JXIRGEZTMWIROP-PHDIDXHHSA-N	0	2	257.187	-0.523	20	30		CBEDLN
C=C[C@@H](COC)NC(=O)C[C@@H]1SC(=N)NC1=O	ZINC001320446847	817338399	/nfs/dbraw/zinc/33/83/99/817338399.db2.gz	GPHWFPJITVVALA-BQBZGAKWSA-N	0	2	257.315	-0.140	20	30		CBEDLN
C=C[C@H](COC)NC(=O)C[C@H]1SC(=N)NC1=O	ZINC001320446978	817339021	/nfs/dbraw/zinc/33/90/21/817339021.db2.gz	GPHWFPJITVVALA-RNFRBKRXSA-N	0	2	257.315	-0.140	20	30		CBEDLN
N#Cc1cncnc1NCCNC(=O)C(F)(F)F	ZINC001164238624	819893864	/nfs/dbraw/zinc/89/38/64/819893864.db2.gz	YYWYDTGNGBRUEU-UHFFFAOYSA-N	0	2	259.191	-0.139	20	30		CBEDLN
COC(=O)[C@@H]1CS[C@H](C(=O)OC)N1C(=O)C(C)C#N	ZINC001179894957	820645699	/nfs/dbraw/zinc/64/56/99/820645699.db2.gz	KOWLOTRYUJMENY-BKPPORCPSA-N	0	2	286.309	-0.238	20	30		CBEDLN
COC(=O)[C@@H]1CS[C@H](C(=O)OC)N1C(=O)[C@H](C)C#N	ZINC001179894957	820645702	/nfs/dbraw/zinc/64/57/02/820645702.db2.gz	KOWLOTRYUJMENY-BKPPORCPSA-N	0	2	286.309	-0.238	20	30		CBEDLN
N#CN=C(NC(O)=Cc1nc(N)n[nH]1)c1ccncc1	ZINC001180250510	820660142	/nfs/dbraw/zinc/66/01/42/820660142.db2.gz	KUTDJIPXFRDYKQ-UHFFFAOYSA-N	0	2	270.256	-0.632	20	30		CBEDLN
CC[C@H](CCO)CNc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001185707635	821140991	/nfs/dbraw/zinc/14/09/91/821140991.db2.gz	FAYHVBMNWIRBSC-MRVPVSSYSA-N	0	2	266.301	-0.234	20	30		CBEDLN
C=CC[C@@H](CO)Nc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001186296040	821178301	/nfs/dbraw/zinc/17/83/01/821178301.db2.gz	XQRMAGPFXKPFNI-ZETCQYMHSA-N	0	2	250.258	-0.706	20	30		CBEDLN
N#Cc1c[nH]c(=O)n(Cc2ccc(Cl)nn2)c1=O	ZINC001189574366	823767973	/nfs/dbraw/zinc/76/79/73/823767973.db2.gz	LDQKSBSCVKKAKZ-UHFFFAOYSA-N	0	2	263.644	-0.100	20	30		CBEDLN
C=CCCC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[nH]2)C[C@H]1O	ZINC001191724532	823916423	/nfs/dbraw/zinc/91/64/23/823916423.db2.gz	KASVNIKBTFHJDI-RKDXNWHRSA-N	0	2	281.316	-0.862	20	30		CBEDLN
N#CCS(=O)(=O)Nc1cc(O)cc(C(N)=O)c1	ZINC001192985336	823996369	/nfs/dbraw/zinc/99/63/69/823996369.db2.gz	ABOSFMPHBGWYDO-UHFFFAOYSA-N	0	2	255.255	-0.244	20	30		CBEDLN
COC(=O)c1cnn(C)c1NS(=O)(=O)[C@H](C)C#N	ZINC001193107676	824003352	/nfs/dbraw/zinc/00/33/52/824003352.db2.gz	ZSGYRRARFJEDRU-ZCFIWIBFSA-N	0	2	272.286	-0.140	20	30		CBEDLN
N#CCN1C[C@@H](O)[C@H](NC(=O)C(F)C(F)(F)F)C1	ZINC001193130202	824006874	/nfs/dbraw/zinc/00/68/74/824006874.db2.gz	HMEZXAJCQNLAOX-QYNIQEEDSA-N	0	2	269.198	-0.428	20	30		CBEDLN
N#CCN1C[C@@H](O)[C@H](NC(=O)[C@H](F)C(F)(F)F)C1	ZINC001193130202	824006882	/nfs/dbraw/zinc/00/68/82/824006882.db2.gz	HMEZXAJCQNLAOX-QYNIQEEDSA-N	0	2	269.198	-0.428	20	30		CBEDLN
COC(=O)[C@@]1(NS(=O)(=O)[C@H](C)C#N)CCOC1	ZINC001193195376	824013652	/nfs/dbraw/zinc/01/36/52/824013652.db2.gz	ZWYLKMHALWPHTJ-VXNVDRBHSA-N	0	2	262.287	-0.850	20	30		CBEDLN
COC(=O)[C@]1(NS(=O)(=O)[C@@H](C)C#N)CCOC1	ZINC001193195374	824014087	/nfs/dbraw/zinc/01/40/87/824014087.db2.gz	ZWYLKMHALWPHTJ-CBAPKCEASA-N	0	2	262.287	-0.850	20	30		CBEDLN
N#C[C@H]1CN(S(=O)(=O)C[C@H]2CCCO2)CCC1=O	ZINC001193237934	824016717	/nfs/dbraw/zinc/01/67/17/824016717.db2.gz	NDSBAJADWITQFP-VHSXEESVSA-N	0	2	272.326	-0.090	20	30		CBEDLN
CCOC(=O)C(C#N)NS(=O)(=O)c1nccn1C	ZINC001193622592	824040687	/nfs/dbraw/zinc/04/06/87/824040687.db2.gz	VLLCYQCVEMQLDE-SSDOTTSWSA-N	0	2	272.286	-0.846	20	30		CBEDLN
CCOC(=O)[C@@H](C#N)NS(=O)(=O)c1nccn1C	ZINC001193622592	824040689	/nfs/dbraw/zinc/04/06/89/824040689.db2.gz	VLLCYQCVEMQLDE-SSDOTTSWSA-N	0	2	272.286	-0.846	20	30		CBEDLN
C=CCCC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[nH]2)C[C@@H]1O	ZINC001219334870	824692959	/nfs/dbraw/zinc/69/29/59/824692959.db2.gz	KASVNIKBTFHJDI-BDAKNGLRSA-N	0	2	281.316	-0.862	20	30		CBEDLN
CS(=O)(=O)Nc1c(C#N)cnc2c(C#N)cnn21	ZINC001252642636	825879033	/nfs/dbraw/zinc/87/90/33/825879033.db2.gz	FBVCOFAIKHMIMA-UHFFFAOYSA-N	0	2	262.254	-0.156	20	30		CBEDLN
CCOC(=O)C(C#N)NS(=O)(=O)c1ccccn1	ZINC001259292248	826094986	/nfs/dbraw/zinc/09/49/86/826094986.db2.gz	UJXXWOFRRDMAKG-MRVPVSSYSA-N	0	2	269.282	-0.185	20	30		CBEDLN
CCOC(=O)[C@@H](C#N)NS(=O)(=O)c1ccccn1	ZINC001259292248	826094993	/nfs/dbraw/zinc/09/49/93/826094993.db2.gz	UJXXWOFRRDMAKG-MRVPVSSYSA-N	0	2	269.282	-0.185	20	30		CBEDLN
C=CCS(=O)(=O)Nc1c(C(N)=O)c(C)nn1C	ZINC001259922197	826107637	/nfs/dbraw/zinc/10/76/37/826107637.db2.gz	QSLXCWCVBNNDQE-UHFFFAOYSA-N	0	2	258.303	-0.245	20	30		CBEDLN
C[C@H](C[N@H+](C)Cc1n[nH]c(=O)[n-]1)NC(=O)C#CC1CC1	ZINC001268730465	827413565	/nfs/dbraw/zinc/41/35/65/827413565.db2.gz	OWEPUTJYCBEQJT-SECBINFHSA-N	0	2	277.328	-0.140	20	30		CBEDLN
C[C@H](C[N@@H+](C)Cc1n[nH]c(=O)[n-]1)NC(=O)C#CC1CC1	ZINC001268730465	827413570	/nfs/dbraw/zinc/41/35/70/827413570.db2.gz	OWEPUTJYCBEQJT-SECBINFHSA-N	0	2	277.328	-0.140	20	30		CBEDLN
C#CCC[N@H+]1CCC[C@](CO)(NC(=O)c2nc[nH]n2)C1	ZINC001271988576	827746655	/nfs/dbraw/zinc/74/66/55/827746655.db2.gz	VPOVSOQSJKODIC-ZDUSSCGKSA-N	0	2	277.328	-0.615	20	30		CBEDLN
COC[C@@H](C)CNc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001347946641	890539783	/nfs/dbraw/zinc/53/97/83/890539783.db2.gz	YXIQTCQDBQEHRW-ZETCQYMHSA-N	0	2	252.274	-0.360	20	30		CBEDLN
COCC#CC(=O)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1	ZINC001328297671	885626007	/nfs/dbraw/zinc/62/60/07/885626007.db2.gz	VHWVOSKZTDVJDY-VIFPVBQESA-N	0	2	264.285	-0.134	20	30		CBEDLN
C[C@H]1CCC(=O)CN1c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001336735496	888860195	/nfs/dbraw/zinc/86/01/95/888860195.db2.gz	BXNNJDSGITYPRX-ZETCQYMHSA-N	0	2	262.269	-0.497	20	30		CBEDLN
CO[C@@H](C)CCNc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001337017735	888948823	/nfs/dbraw/zinc/94/88/23/888948823.db2.gz	AHTTWODPXPMGBG-ZETCQYMHSA-N	0	2	252.274	-0.218	20	30		CBEDLN
C=CCCOCCNc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001339647007	889305358	/nfs/dbraw/zinc/30/53/58/889305358.db2.gz	YZAXRXSACSDPNF-UHFFFAOYSA-N	0	2	264.285	-0.050	20	30		CBEDLN
C#C[C@H]1CCCCN1c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001339844052	889331729	/nfs/dbraw/zinc/33/17/29/889331729.db2.gz	XQKFBZIVFADFHL-VIFPVBQESA-N	0	2	258.281	-0.063	20	30		CBEDLN
COC[C@@H](OC)C(=O)C(C#N)=C([O-])c1[nH+]ccn1C	ZINC001342709657	889819061	/nfs/dbraw/zinc/81/90/61/889819061.db2.gz	KFLZZPQJLBGFHH-DTWKUNHWSA-N	0	2	265.269	-0.027	20	30		CBEDLN
N#Cc1ccc(CC(=O)NCc2n[nH]c(=O)[nH]2)cn1	ZINC001465725095	915065409	/nfs/dbraw/zinc/06/54/09/915065409.db2.gz	JBCCZSYLPUGZBO-UHFFFAOYSA-N	0	2	258.241	-0.364	20	30		CBEDLN
C=CCCS(=O)(=O)NCc1nnc(COC)[nH]1	ZINC001327906380	885519649	/nfs/dbraw/zinc/51/96/49/885519649.db2.gz	BVJLIDZCYFFSON-UHFFFAOYSA-N	0	2	260.319	-0.053	20	30		CBEDLN
C#CCO[C@H](C)C(=O)NC[C@@H](C)[N@H+](C)Cc1n[nH]c(=O)[n-]1	ZINC001329440106	886068693	/nfs/dbraw/zinc/06/86/93/886068693.db2.gz	GQPHBEBDJAZBJB-NXEZZACHSA-N	0	2	295.343	-0.515	20	30		CBEDLN
C#CCO[C@H](C)C(=O)NC[C@@H](C)[N@@H+](C)Cc1n[nH]c(=O)[n-]1	ZINC001329440106	886068710	/nfs/dbraw/zinc/06/87/10/886068710.db2.gz	GQPHBEBDJAZBJB-NXEZZACHSA-N	0	2	295.343	-0.515	20	30		CBEDLN
C[NH+]1CCC(C#N)(NC(=O)CCc2c[nH]nn2)CC1	ZINC001329708486	886181749	/nfs/dbraw/zinc/18/17/49/886181749.db2.gz	CWIVDVVMKZNCRE-UHFFFAOYSA-N	0	2	262.317	-0.159	20	30		CBEDLN
C[NH+]1CCC(C#N)(NC(=O)CCc2cnn[nH]2)CC1	ZINC001329708486	886181753	/nfs/dbraw/zinc/18/17/53/886181753.db2.gz	CWIVDVVMKZNCRE-UHFFFAOYSA-N	0	2	262.317	-0.159	20	30		CBEDLN
C#C[C@@H]1CCCN(c2[nH]c(=O)n(C)c(=O)c2C#N)C1	ZINC001336663320	888840797	/nfs/dbraw/zinc/84/07/97/888840797.db2.gz	BGKMUAWZPIDVOA-SECBINFHSA-N	0	2	258.281	-0.205	20	30		CBEDLN
Cn1c(=O)[nH]c(NC[C@@]2(C)CCCO2)c(C#N)c1=O	ZINC001337887935	889094292	/nfs/dbraw/zinc/09/42/92/889094292.db2.gz	LDUWCTAYXKJLKO-GFCCVEGCSA-N	0	2	264.285	-0.074	20	30		CBEDLN
Cn1c(=O)[nH]c(NC[C@]2(C)CCCO2)c(C#N)c1=O	ZINC001337887936	889094829	/nfs/dbraw/zinc/09/48/29/889094829.db2.gz	LDUWCTAYXKJLKO-LBPRGKRZSA-N	0	2	264.285	-0.074	20	30		CBEDLN
Cn1c(=O)[nH]c(N[C@H]2COC(C)(C)C2)c(C#N)c1=O	ZINC001338048854	889109993	/nfs/dbraw/zinc/10/99/93/889109993.db2.gz	PKNOAOAOCWUKIL-SSDOTTSWSA-N	0	2	264.285	-0.075	20	30		CBEDLN
Cn1c(=O)[nH]c(N[C@@H]2COC(C)(C)C2)c(C#N)c1=O	ZINC001338048855	889110145	/nfs/dbraw/zinc/11/01/45/889110145.db2.gz	PKNOAOAOCWUKIL-ZETCQYMHSA-N	0	2	264.285	-0.075	20	30		CBEDLN
CN(C[C@@H]1CCOC1)c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001339609036	889295593	/nfs/dbraw/zinc/29/55/93/889295593.db2.gz	DPRFIUSOWIHOFK-QMMMGPOBSA-N	0	2	264.285	-0.582	20	30		CBEDLN
Cn1c(=O)[nH]c(NCC#C[C@H]2CCCCO2)c(C#N)c1=O	ZINC001339841511	889330051	/nfs/dbraw/zinc/33/00/51/889330051.db2.gz	BQSMKNHFRCOABP-SNVBAGLBSA-N	0	2	288.307	-0.070	20	30		CBEDLN
Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)[C@@H]1COC(=O)N1	ZINC001342717056	889820615	/nfs/dbraw/zinc/82/06/15/889820615.db2.gz	MOGKYLMCBORCES-RQJHMYQMSA-N	0	2	262.225	-0.580	20	30		CBEDLN
C=C[C@H](COC)NC(=O)Cn1[nH]cc2c(=O)ncnc1-2	ZINC001342745854	889824924	/nfs/dbraw/zinc/82/49/24/889824924.db2.gz	BVMCQAZVHRTFDP-MRVPVSSYSA-N	0	2	277.284	-0.612	20	30		CBEDLN
Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)CCn1ccnn1	ZINC001344037204	889993085	/nfs/dbraw/zinc/99/30/85/889993085.db2.gz	VGLXERLYIMOINE-SECBINFHSA-N	0	2	272.268	-0.007	20	30		CBEDLN
Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)CCn1ccnn1	ZINC001344037214	889994283	/nfs/dbraw/zinc/99/42/83/889994283.db2.gz	VGLXERLYIMOINE-VIFPVBQESA-N	0	2	272.268	-0.007	20	30		CBEDLN
C=CC[C@@H](CO)NC(=O)Cn1[nH]cc2c(=O)ncnc1-2	ZINC001344547840	890039558	/nfs/dbraw/zinc/03/95/58/890039558.db2.gz	DOLDVKYHSAXVCK-QMMMGPOBSA-N	0	2	277.284	-0.876	20	30		CBEDLN
C[C@@H]1C[C@H](Nc2[nH]c(=O)n(C)c(=O)c2C#N)CCO1	ZINC001348072816	890556832	/nfs/dbraw/zinc/55/68/32/890556832.db2.gz	FRIJAJLGAQVEJX-HTQZYQBOSA-N	0	2	264.285	-0.075	20	30		CBEDLN
C#CC[C@H](CCOC)Nc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001348268949	890581958	/nfs/dbraw/zinc/58/19/58/890581958.db2.gz	BRXMBTABYQKJTL-SECBINFHSA-N	0	2	276.296	-0.214	20	30		CBEDLN
CCC1(CNc2[nH]c(=O)n(C)c(=O)c2C#N)COC1	ZINC001354212971	891535968	/nfs/dbraw/zinc/53/59/68/891535968.db2.gz	FDRYIFCZXKILOK-UHFFFAOYSA-N	0	2	264.285	-0.216	20	30		CBEDLN
N#C[C@@H]1CCCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1	ZINC001362878143	893131217	/nfs/dbraw/zinc/13/12/17/893131217.db2.gz	JKWHGVIUNAJUGE-VIFPVBQESA-N	0	2	286.295	-0.167	20	30		CBEDLN
CC(C)n1cc(CNc2[nH]c(=O)n(C)c(=O)c2C#N)nn1	ZINC001363153782	893409385	/nfs/dbraw/zinc/40/93/85/893409385.db2.gz	IJIKLHLVOQSXML-UHFFFAOYSA-N	0	2	289.299	-0.270	20	30		CBEDLN
Cn1c(=O)[nH]c(NCC(C)(C)n2cccn2)c(C#N)c1=O	ZINC001363153491	893411291	/nfs/dbraw/zinc/41/12/91/893411291.db2.gz	IOGIUVMDPNXMBA-UHFFFAOYSA-N	0	2	288.311	-0.011	20	30		CBEDLN
Cn1cnc(CCNc2[nH]c(=O)n(C)c(=O)c2C#N)c1	ZINC001363160647	893417919	/nfs/dbraw/zinc/41/79/19/893417919.db2.gz	WCRIDANPAZHIBA-UHFFFAOYSA-N	0	2	274.284	-0.667	20	30		CBEDLN
CS(=O)(=O)Cc1nnc(CNC(=O)CC2(C#N)CC2)[nH]1	ZINC001363670085	893899201	/nfs/dbraw/zinc/89/92/01/893899201.db2.gz	BOEPZGRRISUPPN-UHFFFAOYSA-N	0	2	297.340	-0.341	20	30		CBEDLN
C[C@H]1CC[C@@H](C(N)=O)CN1c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001363723824	893942152	/nfs/dbraw/zinc/94/21/52/893942152.db2.gz	SUAUFUZFNPXSBU-JGVFFNPUSA-N	0	2	291.311	-0.965	20	30		CBEDLN
N#Cc1c[nH]c(=O)n(CC(=O)NCc2ccco2)c1=O	ZINC001363759122	893970295	/nfs/dbraw/zinc/97/02/95/893970295.db2.gz	IJYMUEGIGGKPQF-UHFFFAOYSA-N	0	2	274.236	-0.682	20	30		CBEDLN
C[C@@H](CN1CCCC1=O)Nc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001364147745	894214331	/nfs/dbraw/zinc/21/43/31/894214331.db2.gz	HHSKXWJYUCJXQR-QMMMGPOBSA-N	0	2	291.311	-0.632	20	30		CBEDLN
C[C@@H](CO[C@H]1CCOC1)Nc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001364168453	894227185	/nfs/dbraw/zinc/22/71/85/894227185.db2.gz	GGOWZLLOSHATHF-IUCAKERBSA-N	0	2	294.311	-0.449	20	30		CBEDLN
Cc1n[nH]c(C)c1CNc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001364222518	894263739	/nfs/dbraw/zinc/26/37/39/894263739.db2.gz	DZZYAPIKKFQBST-UHFFFAOYSA-N	0	2	274.284	-0.103	20	30		CBEDLN
C[C@@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)c1nccn1C	ZINC001364224517	894267779	/nfs/dbraw/zinc/26/77/79/894267779.db2.gz	CWXHJSJODSKYFB-SSDOTTSWSA-N	0	2	274.284	-0.148	20	30		CBEDLN
C[C@H](O)C1CCN(c2[nH]c(=O)n(C)c(=O)c2C#N)CC1	ZINC001364222781	894267882	/nfs/dbraw/zinc/26/78/82/894267882.db2.gz	GTKHEBYRKKLEQW-QMMMGPOBSA-N	0	2	278.312	-0.458	20	30		CBEDLN
CCOC(=O)[C@H]1CCN(c2[nH]c(=O)n(C)c(=O)c2C#N)C1	ZINC001364258955	894287173	/nfs/dbraw/zinc/28/71/73/894287173.db2.gz	VNCYESMURCSRMW-QMMMGPOBSA-N	0	2	292.295	-0.665	20	30		CBEDLN
C[C@@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)c1nncn1C	ZINC001364532658	894481136	/nfs/dbraw/zinc/48/11/36/894481136.db2.gz	LABWMUAYIKZWRW-ZCFIWIBFSA-N	0	2	275.272	-0.753	20	30		CBEDLN
CO[C@]1(CNc2[nH]c(=O)n(C)c(=O)c2C#N)CCOC1	ZINC001364559867	894494761	/nfs/dbraw/zinc/49/47/61/894494761.db2.gz	YGSFCSWSOOBBCX-LBPRGKRZSA-N	0	2	280.284	-0.837	20	30		CBEDLN
Cn1c(=O)[nH]c(N2CC[C@@]3(CO)CCC[C@@H]23)c(C#N)c1=O	ZINC001364590696	894511108	/nfs/dbraw/zinc/51/11/08/894511108.db2.gz	KXZJJOOBPUBJBL-QMTHXVAHSA-N	0	2	290.323	-0.313	20	30		CBEDLN
COC(=O)c1coc(Cn2c(=O)[nH]cc(C#N)c2=O)c1	ZINC001364616834	894525300	/nfs/dbraw/zinc/52/53/00/894525300.db2.gz	QCCXCPXTCJUFME-UHFFFAOYSA-N	0	2	275.220	-0.164	20	30		CBEDLN
Cn1c(=O)[nH]c(NC[C@](C)(O)c2ccco2)c(C#N)c1=O	ZINC001365218963	894826423	/nfs/dbraw/zinc/82/64/23/894826423.db2.gz	YLEDMVKMSYITAD-ZDUSSCGKSA-N	0	2	290.279	-0.142	20	30		CBEDLN
C[C@H](Cc1cnn(C)c1)Nc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001365227229	894829821	/nfs/dbraw/zinc/82/98/21/894829821.db2.gz	LYYGWQIOJZQVQP-MRVPVSSYSA-N	0	2	288.311	-0.278	20	30		CBEDLN
C[C@@H](CO)[C@@H]1CCCCN1c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001365228746	894833819	/nfs/dbraw/zinc/83/38/19/894833819.db2.gz	DQZVXJXJAFYNAR-ONGXEEELSA-N	0	2	292.339	-0.067	20	30		CBEDLN
Cn1c(=O)[nH]c(N2CCO[C@@](C)(C#N)C2)c(C#N)c1=O	ZINC001365239580	894841540	/nfs/dbraw/zinc/84/15/40/894841540.db2.gz	QHARMHSQYUQKST-LBPRGKRZSA-N	0	2	275.268	-0.936	20	30		CBEDLN
CN(c1[nH]c(=O)n(C)c(=O)c1C#N)[C@@H]1CCC(=O)N(C)C1	ZINC001365239818	894841654	/nfs/dbraw/zinc/84/16/54/894841654.db2.gz	OUAAZNDGOPNSOY-MRVPVSSYSA-N	0	2	291.311	-0.998	20	30		CBEDLN
Cn1c(=O)[nH]c(N2CC[C@@]3(CCOC3=O)C2)c(C#N)c1=O	ZINC001365247483	894845722	/nfs/dbraw/zinc/84/57/22/894845722.db2.gz	GGVQEPXVZGTKJN-CYBMUJFWSA-N	0	2	290.279	-0.911	20	30		CBEDLN
C[C@@H](C#N)C(=O)N[C@]1(C)CC[N@H+](Cc2n[nH]c(=O)[n-]2)C1	ZINC001393103356	900793418	/nfs/dbraw/zinc/79/34/18/900793418.db2.gz	LOLNCLXYZYALRE-QPUJVOFHSA-N	0	2	278.316	-0.249	20	30		CBEDLN
C[C@@H](C#N)C(=O)N[C@]1(C)CC[N@@H+](Cc2n[nH]c(=O)[n-]2)C1	ZINC001393103356	900793426	/nfs/dbraw/zinc/79/34/26/900793426.db2.gz	LOLNCLXYZYALRE-QPUJVOFHSA-N	0	2	278.316	-0.249	20	30		CBEDLN
C[C@H](NC(=O)Cn1cnc(C#N)n1)c1nn(C)cc1O	ZINC001456788649	914514116	/nfs/dbraw/zinc/51/41/16/914514116.db2.gz	IXMBAFJOPIWIBO-ZETCQYMHSA-N	0	2	275.272	-0.534	20	30		CBEDLN
COCCn1cc(Nc2[nH]c(=O)n(C)c(=O)c2C#N)cn1	ZINC001458123376	914627014	/nfs/dbraw/zinc/62/70/14/914627014.db2.gz	SJDYRDKDZRKKRL-UHFFFAOYSA-N	0	2	290.283	-0.468	20	30		CBEDLN
C[C@H](CNc1[n-]c(=O)n(C)c(=O)c1C#N)Cn1cc[nH+]c1	ZINC001458104354	914627532	/nfs/dbraw/zinc/62/75/32/914627532.db2.gz	FXZUTXAAIGOKHT-SECBINFHSA-N	0	2	288.311	-0.110	20	30		CBEDLN
COC[C@@H](CNc1[nH]c(=O)n(C)c(=O)c1C#N)OC	ZINC001458312540	914641946	/nfs/dbraw/zinc/64/19/46/914641946.db2.gz	WWZRRDUJPBITPT-SSDOTTSWSA-N	0	2	268.273	-0.981	20	30		CBEDLN
CC[C@]1(CO)CCCN(c2[nH]c(=O)n(C)c(=O)c2C#N)C1	ZINC001458333321	914644235	/nfs/dbraw/zinc/64/42/35/914644235.db2.gz	WHHKOBHIZZOWNV-AWEZNQCLSA-N	0	2	292.339	-0.066	20	30		CBEDLN
C[C@H](O)C[C@@H]1CCCN1c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001412883558	904784363	/nfs/dbraw/zinc/78/43/63/904784363.db2.gz	UMQCANNXMUVVRW-IUCAKERBSA-N	0	2	278.312	-0.315	20	30		CBEDLN
Cn1c(=O)[nH]c(NC[C@@H](CO)[C@H]2CCOC2)c(C#N)c1=O	ZINC001412885745	904785447	/nfs/dbraw/zinc/78/54/47/904785447.db2.gz	ROJNTKIEIFBVEH-IUCAKERBSA-N	0	2	294.311	-0.998	20	30		CBEDLN
Cn1c(=O)[nH]c(N2CC[C@@H](c3cnccn3)C2)c(C#N)c1=O	ZINC001412922670	904799327	/nfs/dbraw/zinc/79/93/27/904799327.db2.gz	MOWGGWRDPYJIDI-SECBINFHSA-N	0	2	298.306	-0.271	20	30		CBEDLN
C[C@@H](Cn1cncn1)Nc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001413886105	905256243	/nfs/dbraw/zinc/25/62/43/905256243.db2.gz	NVHPGIICWACJEF-ZETCQYMHSA-N	0	2	275.272	-0.963	20	30		CBEDLN
COc1ccncc1CNc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001413890387	905257754	/nfs/dbraw/zinc/25/77/54/905257754.db2.gz	WNIYKDJXVMBWTD-UHFFFAOYSA-N	0	2	287.279	-0.039	20	30		CBEDLN
COC[C@@]1(C)CN(c2[nH]c(=O)n(C)c(=O)c2C#N)CCO1	ZINC001413901272	905263654	/nfs/dbraw/zinc/26/36/54/905263654.db2.gz	XUUMNUQVHFTEBL-CYBMUJFWSA-N	0	2	294.311	-0.813	20	30		CBEDLN
C[C@H]1CCCN(c2[nH]c(=O)n(C)c(=O)c2C#N)[C@@H]1CCO	ZINC001421191140	907458674	/nfs/dbraw/zinc/45/86/74/907458674.db2.gz	ODOMNRBJUCJMDN-GXSJLCMTSA-N	0	2	292.339	-0.067	20	30		CBEDLN
Cn1c(=O)[nH]c(N[C@@H](CCO)C(F)(F)F)c(C#N)c1=O	ZINC001421268076	907480313	/nfs/dbraw/zinc/48/03/13/907480313.db2.gz	CWIIUYQUDVWAOW-LURJTMIESA-N	0	2	292.217	-0.330	20	30		CBEDLN
Cc1ccc([C@@H](O)CNc2[nH]c(=O)n(C)c(=O)c2C#N)o1	ZINC001434435203	910180785	/nfs/dbraw/zinc/18/07/85/910180785.db2.gz	GYPUVCNMLUEUBS-VIFPVBQESA-N	0	2	290.279	-0.008	20	30		CBEDLN
Cn1c(=O)[nH]c(N2CCc3c[nH]nc3C2)c(C#N)c1=O	ZINC001434442146	910183237	/nfs/dbraw/zinc/18/32/37/910183237.db2.gz	BAVVLORXUXFVPS-UHFFFAOYSA-N	0	2	272.268	-0.769	20	30		CBEDLN
Cn1c(=O)[nH]c(N2CC[C@@H](C3OCCO3)C2)c(C#N)c1=O	ZINC001434450222	910191652	/nfs/dbraw/zinc/19/16/52/910191652.db2.gz	GKVDLWPRQKUXAY-MRVPVSSYSA-N	0	2	292.295	-0.856	20	30		CBEDLN
Cn1c(=O)[nH]c(N2CCc3ncncc3C2)c(C#N)c1=O	ZINC001434447784	910192264	/nfs/dbraw/zinc/19/22/64/910192264.db2.gz	OVQNPSMWYKYKPX-UHFFFAOYSA-N	0	2	284.279	-0.702	20	30		CBEDLN
Cn1c(=O)[nH]c(N[C@@H]2CC[C@@H](O)[C@@H](O)CC2)c(C#N)c1=O	ZINC001434450080	910192599	/nfs/dbraw/zinc/19/25/99/910192599.db2.gz	CQJYHUSPRKDYMB-SLGCYQGISA-N	0	2	294.311	-0.978	20	30		CBEDLN
C[C@@H](Cn1cc[nH+]c1)Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001472655062	915758176	/nfs/dbraw/zinc/75/81/76/915758176.db2.gz	XAIWOLFLBQPBQJ-QMMMGPOBSA-N	0	2	274.284	-0.358	20	30		CBEDLN
CN(C[C@H](O)C1CC1)c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001472721436	915759276	/nfs/dbraw/zinc/75/92/76/915759276.db2.gz	ISEXDNWTVKRDHW-VIFPVBQESA-N	0	2	264.285	-0.848	20	30		CBEDLN
COC(=O)C12CC(C1)CN2c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001472825961	915767525	/nfs/dbraw/zinc/76/75/25/915767525.db2.gz	CJTARUVUUCGTEE-UHFFFAOYSA-N	0	2	290.279	-0.913	20	30		CBEDLN
C[N@H+](CC(N)=O)Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001473104277	915796706	/nfs/dbraw/zinc/79/67/06/915796706.db2.gz	YSZVVLDJPSXSER-UHFFFAOYSA-N	0	2	260.257	-0.776	20	30		CBEDLN
C[N@@H+](CC(N)=O)Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001473104277	915796714	/nfs/dbraw/zinc/79/67/14/915796714.db2.gz	YSZVVLDJPSXSER-UHFFFAOYSA-N	0	2	260.257	-0.776	20	30		CBEDLN
C#CCCCC(=O)NCC[N@H+](C)Cc1n[nH]c(=O)[n-]1	ZINC001480858295	916580092	/nfs/dbraw/zinc/58/00/92/916580092.db2.gz	LINRTZNPUXGFQB-UHFFFAOYSA-N	0	2	265.317	-0.138	20	30		CBEDLN
C#CCCCC(=O)NCC[N@@H+](C)Cc1n[nH]c(=O)[n-]1	ZINC001480858295	916580079	/nfs/dbraw/zinc/58/00/79/916580079.db2.gz	LINRTZNPUXGFQB-UHFFFAOYSA-N	0	2	265.317	-0.138	20	30		CBEDLN
C=C[C@@H]1OCC[C@H]1C(=O)NCC[N@@H+](C)Cc1n[nH]c(=O)[n-]1	ZINC001480913127	916623232	/nfs/dbraw/zinc/62/32/32/916623232.db2.gz	DXUJRVCRBJBXJK-ZJUUUORDSA-N	0	2	295.343	-0.351	20	30		CBEDLN
C=C[C@@H]1OCC[C@H]1C(=O)NCC[N@H+](C)Cc1n[nH]c(=O)[n-]1	ZINC001480913127	916623244	/nfs/dbraw/zinc/62/32/44/916623244.db2.gz	DXUJRVCRBJBXJK-ZJUUUORDSA-N	0	2	295.343	-0.351	20	30		CBEDLN
C[C@H](C#N)C(=O)NCC1CN(Cc2n[nH]c(=O)[nH]2)C1	ZINC001494539182	919726110	/nfs/dbraw/zinc/72/61/10/919726110.db2.gz	SNYKDNHQDAPALX-SSDOTTSWSA-N	0	2	264.289	-0.782	20	30		CBEDLN
Cn1c(=O)[nH]c(NCCO[C@H]2CC2(F)F)c(C#N)c1=O	ZINC001515889920	922246172	/nfs/dbraw/zinc/24/61/72/922246172.db2.gz	AAYXCVJKNBCFIM-ZETCQYMHSA-N	0	2	286.238	-0.219	20	30		CBEDLN
N#CC(C(=O)CN1CCNC(=O)C1)c1ccncn1	ZINC001525275411	922664172	/nfs/dbraw/zinc/66/41/72/922664172.db2.gz	JQMFSERMHUXYHM-VIFPVBQESA-N	0	2	259.269	-0.915	20	30		CBEDLN
N#C[C@H](C(=O)CN1CCNC(=O)C1)c1ccncn1	ZINC001525275411	922664180	/nfs/dbraw/zinc/66/41/80/922664180.db2.gz	JQMFSERMHUXYHM-VIFPVBQESA-N	0	2	259.269	-0.915	20	30		CBEDLN
C#CCO[C@@H](C)C(=O)NCCCc1n[nH]c(=O)[nH]1	ZINC001558941138	924204802	/nfs/dbraw/zinc/20/48/02/924204802.db2.gz	YHDNVJLKDAVTAG-QMMMGPOBSA-N	0	2	252.274	-0.403	20	30		CBEDLN
Cn1c(=O)[nH]c(NCC2OCCCO2)c(C#N)c1=O	ZINC001559167549	924210888	/nfs/dbraw/zinc/21/08/88/924210888.db2.gz	DJUMGRVBWIGAPE-UHFFFAOYSA-N	0	2	266.257	-0.880	20	30		CBEDLN
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CCONC(=O)CNC(=O)c1cc(C#N)[nH]c1C	ZINC000846492033	583365126	/nfs/dbraw/zinc/36/51/26/583365126.db2.gz	XNBHVNVLHQBIEQ-UHFFFAOYSA-N	0	2	250.258	-0.008	20	30		CBEDLN
C=C[C@H](C)ONC(=O)CN1CCN(S(C)(=O)=O)CC1	ZINC000846549427	583375925	/nfs/dbraw/zinc/37/59/25/583375925.db2.gz	YBCVRXLOOBIPQB-JTQLQIEISA-N	0	2	291.373	-0.814	20	30		CBEDLN
O=C([O-])Cn1cc(C=NNCCCn2cc[nH+]c2)nn1	ZINC000848417559	583445795	/nfs/dbraw/zinc/44/57/95/583445795.db2.gz	BDTZUPDTVHMJBF-UHFFFAOYSA-N	0	2	277.288	-0.427	20	30		CBEDLN
C#C[C@@](C)(CC)NC(=O)Cn1[nH]cc2c(=O)ncnc1-2	ZINC000854697398	583616790	/nfs/dbraw/zinc/61/67/90/583616790.db2.gz	BBUQZYOXSYVTBY-ZDUSSCGKSA-N	0	2	273.296	-0.011	20	30		CBEDLN
C#CCONC(=O)CN(C)C(=O)[C@H](C)n1cccn1	ZINC000855603532	583644095	/nfs/dbraw/zinc/64/40/95/583644095.db2.gz	QXYBIXXYQYDDNZ-JTQLQIEISA-N	0	2	264.285	-0.417	20	30		CBEDLN
C=CCOCCCNC(=O)Cn1[nH]cc2c(=O)ncnc1-2	ZINC000855774616	583648636	/nfs/dbraw/zinc/64/86/36/583648636.db2.gz	FCCXGXUTWGJYKE-UHFFFAOYSA-N	0	2	291.311	-0.220	20	30		CBEDLN
C=CCCONC(=O)CN1CCN(CC)C(=O)C1=O	ZINC000856030743	583653415	/nfs/dbraw/zinc/65/34/15/583653415.db2.gz	PEBHWIAGGPSMQY-UHFFFAOYSA-N	0	2	269.301	-0.699	20	30		CBEDLN
C=CCCONC(=O)[C@H]1CCN=C2C1=NNN2C	ZINC000856034784	583653500	/nfs/dbraw/zinc/65/35/00/583653500.db2.gz	LYARDMDLOHRLSG-QMMMGPOBSA-N	0	2	251.290	-0.165	20	30		CBEDLN
C#CC[C@@H](COC)NC(=O)C[C@@H]1SC(=N)NC1=O	ZINC000863798970	583857227	/nfs/dbraw/zinc/85/72/27/583857227.db2.gz	ULEHQCLRUWAIRP-YUMQZZPRSA-N	0	2	269.326	-0.303	20	30		CBEDLN
C[C@@H]1C[C@@H]1/N=C1/NC(=O)[C@H](CC(=O)NCCCO)S1	ZINC000864344905	583880653	/nfs/dbraw/zinc/88/06/53/583880653.db2.gz	JSQHMLKTUDQEJB-VGMNWLOBSA-N	0	2	285.369	-0.129	20	30		CBEDLN
CCONC(=O)CNC(=O)N1CCN(CCC#N)CC1	ZINC000868749104	583985818	/nfs/dbraw/zinc/98/58/18/583985818.db2.gz	YUEKCHXXZMNFLP-UHFFFAOYSA-N	0	2	283.332	-0.705	20	30		CBEDLN
O=C1NC(=O)C(=NNC[C@H]2CCCC2(F)F)C(=O)N1	ZINC000872406421	584056387	/nfs/dbraw/zinc/05/63/87/584056387.db2.gz	JOJSNNPQALUMTP-RXMQYKEDSA-N	0	2	274.227	-0.267	20	30		CBEDLN
C#CC[C@@H](CO)NS(=O)(=O)N=S1(=O)CCCC1	ZINC000882339838	584314289	/nfs/dbraw/zinc/31/42/89/584314289.db2.gz	JJVGQNALWWOAHF-VIFPVBQESA-N	0	2	280.371	-0.533	20	30		CBEDLN
C=CCN1CC[C@@H]([N@H+](CCC(=O)OC)CC(=O)[O-])C1=O	ZINC000883413185	584341221	/nfs/dbraw/zinc/34/12/21/584341221.db2.gz	DIICVMWYAVOQMC-SNVBAGLBSA-N	0	2	284.312	-0.277	20	30		CBEDLN
C=CCN1CC[C@@H]([N@@H+](CCC(=O)OC)CC(=O)[O-])C1=O	ZINC000883413185	584341223	/nfs/dbraw/zinc/34/12/23/584341223.db2.gz	DIICVMWYAVOQMC-SNVBAGLBSA-N	0	2	284.312	-0.277	20	30		CBEDLN
C=C(Cl)C[C@@H]([NH3+])C(=O)[N-]S(=O)(=O)[C@H]1CCOC1	ZINC000901031924	584841019	/nfs/dbraw/zinc/84/10/19/584841019.db2.gz	UXQOVMJAKPBQHN-JGVFFNPUSA-N	0	2	282.749	-0.309	20	30		CBEDLN
C=CCN(CC=C)C(=O)C[N@@H+]1C[C@H](O)C[C@H]1C(=O)[O-]	ZINC000229087334	600311472	/nfs/dbraw/zinc/31/14/72/600311472.db2.gz	YAHCFVVYGPWFBB-MNOVXSKESA-N	0	2	268.313	-0.293	20	30		CBEDLN
C=CCN(CC=C)C(=O)C[N@H+]1C[C@H](O)C[C@H]1C(=O)[O-]	ZINC000229087334	600311475	/nfs/dbraw/zinc/31/14/75/600311475.db2.gz	YAHCFVVYGPWFBB-MNOVXSKESA-N	0	2	268.313	-0.293	20	30		CBEDLN
N#CCC[C@H](C#N)C[NH2+]CC(=O)N1CCN(C(=O)[O-])CC1	ZINC000740306082	602730249	/nfs/dbraw/zinc/73/02/49/602730249.db2.gz	AUKUCGIZIOGXGD-LLVKDONJSA-N	0	2	293.327	-0.158	20	30		CBEDLN
CC[S@@](C)(=O)=NS(=O)(=O)NC1(C#N)CC1	ZINC000906061398	656377477	/nfs/dbraw/zinc/37/74/77/656377477.db2.gz	RCOIPINBVLYUJK-CQSZACIVSA-N	0	2	251.333	-0.005	20	30		CBEDLN
CC[S@](C)(=O)=NS(=O)(=O)NC1(C#N)CC1	ZINC000906061396	656377577	/nfs/dbraw/zinc/37/75/77/656377577.db2.gz	RCOIPINBVLYUJK-AWEZNQCLSA-N	0	2	251.333	-0.005	20	30		CBEDLN
C#CC[N@H+]1CCC[C@H](NC(=O)C2C[NH+]([C@H]3CCOC3)C2)C1	ZINC000923551653	658318475	/nfs/dbraw/zinc/31/84/75/658318475.db2.gz	CANMKBWJVIXLNA-GJZGRUSLSA-N	0	2	291.395	-0.079	20	30		CBEDLN
C#CC[N@H+]1CCC[C@H](NC(=O)CCc2nn[n-]n2)C1	ZINC000923556208	658321478	/nfs/dbraw/zinc/32/14/78/658321478.db2.gz	DXSWGMUOPISUSC-JTQLQIEISA-N	0	2	262.317	-0.654	20	30		CBEDLN
C#CC[N@@H+]1CCC[C@H](NC(=O)CCc2nn[n-]n2)C1	ZINC000923556208	658321489	/nfs/dbraw/zinc/32/14/89/658321489.db2.gz	DXSWGMUOPISUSC-JTQLQIEISA-N	0	2	262.317	-0.654	20	30		CBEDLN
C[C@@H](C#N)C(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[nH]3)C[C@H]21	ZINC001084236223	806502541	/nfs/dbraw/zinc/50/25/41/806502541.db2.gz	BNUNAEMKWYYOKF-IVZWLZJFSA-N	0	2	290.327	-0.297	20	30		CBEDLN
N#Cc1c[nH]c(C(=O)NC2CN(Cc3n[nH]c(=O)[nH]3)C2)c1	ZINC001030196881	799261634	/nfs/dbraw/zinc/26/16/34/799261634.db2.gz	RQSVEZXRTBLBNI-UHFFFAOYSA-N	0	2	287.283	-0.676	20	30		CBEDLN
C#Cc1ccc(C(=O)NC2CN(Cc3n[nH]c(=O)[nH]3)C2)nc1	ZINC001031278460	799468989	/nfs/dbraw/zinc/46/89/89/799468989.db2.gz	NPEJTXLPHKDFOI-UHFFFAOYSA-N	0	2	298.306	-0.499	20	30		CBEDLN
C=CC[NH+]1CC(N(C)C(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC001043232641	801551409	/nfs/dbraw/zinc/55/14/09/801551409.db2.gz	OHEVGDSTOGTKCF-UHFFFAOYSA-N	0	2	265.273	-0.775	20	30		CBEDLN
C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1	ZINC001047545644	801897359	/nfs/dbraw/zinc/89/73/59/801897359.db2.gz	UGPVCWMDFJVTAK-STQMWFEESA-N	0	2	276.340	-0.521	20	30		CBEDLN
N#C[C@H](NC(=O)c1c[nH]c2cccnc2c1=O)C(N)=O	ZINC001153862504	815183839	/nfs/dbraw/zinc/18/38/39/815183839.db2.gz	XEBFKIHJBFHMSK-QMMMGPOBSA-N	0	2	271.236	-0.970	20	30		CBEDLN
C[C@@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[nH]1	ZINC001109080278	811484484	/nfs/dbraw/zinc/48/44/84/811484484.db2.gz	PPNQSRYTLAGZOF-JXUBOQSCSA-N	0	2	290.327	-0.109	20	30		CBEDLN
C[C@H](C#N)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3n[nH]c(=O)[n-]3)C[C@H]21	ZINC001114067727	811714784	/nfs/dbraw/zinc/71/47/84/811714784.db2.gz	VXTISVNBDDNGIT-ODXREFDESA-N	0	2	276.300	-0.784	20	30		CBEDLN
C[C@H](C#N)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3n[nH]c(=O)[n-]3)C[C@H]21	ZINC001114067727	811714792	/nfs/dbraw/zinc/71/47/92/811714792.db2.gz	VXTISVNBDDNGIT-ODXREFDESA-N	0	2	276.300	-0.784	20	30		CBEDLN
O=C1NC(=O)C(=NNc2cnnc3ccccc32)C(=O)N1	ZINC001117735417	812440072	/nfs/dbraw/zinc/44/00/72/812440072.db2.gz	GGNCDTQQGKUOAA-UHFFFAOYSA-N	0	2	284.235	-0.236	20	30		CBEDLN
C[C@H]1CSCCN1c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001120898913	813027963	/nfs/dbraw/zinc/02/79/63/813027963.db2.gz	JKUYJOBXUIZEBH-ZETCQYMHSA-N	0	2	266.326	-0.113	20	30		CBEDLN
N#Cc1cc(Cl)nnc1Nc1c(O)[nH]c(=O)[nH]c1=S	ZINC001160848964	815679523	/nfs/dbraw/zinc/67/95/23/815679523.db2.gz	MPQSXDLXPSVXQL-YFKPBYRVSA-N	0	2	296.699	-0.051	20	30		CBEDLN
N#Cc1ncc(Nc2c(O)[nH]c(=O)[nH]c2=S)nc1C#N	ZINC001160858570	815680097	/nfs/dbraw/zinc/68/00/97/815680097.db2.gz	UPDXJXLPPUFSSC-ZETCQYMHSA-N	0	2	287.264	-0.833	20	30		CBEDLN
C[C@H]1CCN(c2[nH]c(=O)n(C)c(=O)c2C#N)C[C@H]1O	ZINC001162950441	815850035	/nfs/dbraw/zinc/85/00/35/815850035.db2.gz	XEXMJDHVYNVYHG-IONNQARKSA-N	0	2	264.285	-0.848	20	30		CBEDLN
Cn1c(=O)[nH]c(NCCC2(O)CCC2)c(C#N)c1=O	ZINC001307118993	816796544	/nfs/dbraw/zinc/79/65/44/816796544.db2.gz	UJAWVKFIQDYNJA-UHFFFAOYSA-N	0	2	264.285	-0.338	20	30		CBEDLN
Cc1oncc1CNc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001307218730	816799572	/nfs/dbraw/zinc/79/95/72/816799572.db2.gz	BDPKHKDOXULCQR-UHFFFAOYSA-N	0	2	261.241	-0.146	20	30		CBEDLN
Cn1c(Cl)cnc1Cn1c(=O)[nH]cc(C#N)c1=O	ZINC001307359211	816800755	/nfs/dbraw/zinc/80/07/55/816800755.db2.gz	BMIGTJAILOZEPS-UHFFFAOYSA-N	0	2	265.660	-0.157	20	30		CBEDLN
C[C@H](CC#N)NC(=O)Cn1[nH]cc2c(=O)ncnc1-2	ZINC001318531312	817119894	/nfs/dbraw/zinc/11/98/94/817119894.db2.gz	PNAVAWUHPBFNKO-SSDOTTSWSA-N	0	2	260.257	-0.510	20	30		CBEDLN
N#CC1(NC(=O)C[C@H]2SC(=N)NC2=O)CCOCC1	ZINC001318737644	817138262	/nfs/dbraw/zinc/13/82/62/817138262.db2.gz	TXASYTHVGFJTMX-SSDOTTSWSA-N	0	2	282.325	-0.268	20	30		CBEDLN
N#CCN(CC#N)C(=O)C[C@H]1SC(=N)NC1=O	ZINC001318794765	817142046	/nfs/dbraw/zinc/14/20/46/817142046.db2.gz	DHPWJDRNLULFIX-ZCFIWIBFSA-N	0	2	251.271	-0.581	20	30		CBEDLN
N#CC1(NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC1	ZINC001319515558	817213097	/nfs/dbraw/zinc/21/30/97/817213097.db2.gz	LFTBOTAYXVIOFU-UHFFFAOYSA-N	0	2	258.241	-0.756	20	30		CBEDLN
COC(=O)C1(C#N)CCN(Cc2n[nH]c(=O)[nH]2)CC1	ZINC001170332134	820287765	/nfs/dbraw/zinc/28/77/65/820287765.db2.gz	CWOCUBWPVZZJCV-UHFFFAOYSA-N	0	2	265.273	-0.211	20	30		CBEDLN
N=C(c1ccccc1N)N(O)C(=O)Cc1nn[nH]n1	ZINC001176845064	820468378	/nfs/dbraw/zinc/46/83/78/820468378.db2.gz	OQNBQPNJDWLRHU-UHFFFAOYSA-N	0	2	261.245	-0.432	20	30		CBEDLN
N#CC(Cc1ccc(O)cc1)C(=O)N[C@H](C#N)C(N)=O	ZINC001183614057	821009988	/nfs/dbraw/zinc/00/99/88/821009988.db2.gz	XAGVYXXIQBBSPN-MWLCHTKSSA-N	0	2	272.264	-0.432	20	30		CBEDLN
CN(CC1(O)CCC1)c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001186053501	821163044	/nfs/dbraw/zinc/16/30/44/821163044.db2.gz	DNEBVBSWUVTGNO-UHFFFAOYSA-N	0	2	264.285	-0.704	20	30		CBEDLN
C/C=C\C[C@H](CO)Nc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001186211063	821174999	/nfs/dbraw/zinc/17/49/99/821174999.db2.gz	GOBKEBAFKXUFED-TUUFMJSCSA-N	0	2	264.285	-0.316	20	30		CBEDLN
C=CCOCC(=O)N1CCCN(Cc2n[nH]c(=O)[nH]2)CC1	ZINC001195314590	824110932	/nfs/dbraw/zinc/11/09/32/824110932.db2.gz	NNLKDVVBVRMXLL-UHFFFAOYSA-N	0	2	295.343	-0.253	20	30		CBEDLN
C=CCOCC(=O)N[C@@H]1C[N@@H+](Cc2n[nH]c(=O)[n-]2)C[C@H]1C	ZINC001206613808	824403481	/nfs/dbraw/zinc/40/34/81/824403481.db2.gz	FCCPUHAXTAAXBX-NXEZZACHSA-N	0	2	295.343	-0.351	20	30		CBEDLN
C=CCOCC(=O)N[C@@H]1C[N@H+](Cc2n[nH]c(=O)[n-]2)C[C@H]1C	ZINC001206613808	824403483	/nfs/dbraw/zinc/40/34/83/824403483.db2.gz	FCCPUHAXTAAXBX-NXEZZACHSA-N	0	2	295.343	-0.351	20	30		CBEDLN
C[C@@H]1C[N@H+](Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)C#CC1CC1	ZINC001206948601	824414710	/nfs/dbraw/zinc/41/47/10/824414710.db2.gz	SPOHIGICEQTMGT-MWLCHTKSSA-N	0	2	289.339	-0.140	20	30		CBEDLN
C[C@@H]1C[N@@H+](Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)C#CC1CC1	ZINC001206948601	824414713	/nfs/dbraw/zinc/41/47/13/824414713.db2.gz	SPOHIGICEQTMGT-MWLCHTKSSA-N	0	2	289.339	-0.140	20	30		CBEDLN
C#CC[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](CC)CC)[C@H]2C1	ZINC001218803120	824640061	/nfs/dbraw/zinc/64/00/61/824640061.db2.gz	GHCLKRAYVDXRCD-UONOGXRCSA-N	0	2	279.384	-0.127	20	30		CBEDLN
C#CCN1C[C@@H](NC(=O)C(F)C(F)(F)F)[C@@H](O)C1	ZINC001219665680	824876240	/nfs/dbraw/zinc/87/62/40/824876240.db2.gz	SZXQWHNMGQENIQ-GJMOJQLCSA-N	0	2	268.210	-0.319	20	30		CBEDLN
C=CCOCC(=O)N(C)C[C@@H]1CCN1Cc1n[nH]c(=O)[nH]1	ZINC001231234476	825399184	/nfs/dbraw/zinc/39/91/84/825399184.db2.gz	UASXFFYAWWSDDY-JTQLQIEISA-N	0	2	295.343	-0.254	20	30		CBEDLN
N#CCCCS(=O)(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)[O-]	ZINC001255241933	825978663	/nfs/dbraw/zinc/97/86/63/825978663.db2.gz	CHTSCIYUVYWEEQ-SECBINFHSA-N	0	2	286.313	-0.371	20	30		CBEDLN
N#CCCCS(=O)(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)[O-]	ZINC001255241933	825978668	/nfs/dbraw/zinc/97/86/68/825978668.db2.gz	CHTSCIYUVYWEEQ-SECBINFHSA-N	0	2	286.313	-0.371	20	30		CBEDLN
N#Cc1ncc(NS(=O)(=O)c2cn[nH]c2)cn1	ZINC001260954226	826479652	/nfs/dbraw/zinc/47/96/52/826479652.db2.gz	GFCUORAKELILKW-UHFFFAOYSA-N	0	2	250.243	-0.128	20	30		CBEDLN
CNC(=O)NCCC(=O)C(C#N)=C([O-])c1[nH+]ccn1C	ZINC001263382881	826764780	/nfs/dbraw/zinc/76/47/80/826764780.db2.gz	ITSLAONNWYLZSJ-QMMMGPOBSA-N	0	2	277.284	-0.369	20	30		CBEDLN
C=CCC[C@H](C)[NH+]1CC(O)(CNC(=O)Cc2nnc[nH]2)C1	ZINC001271375886	827696613	/nfs/dbraw/zinc/69/66/13/827696613.db2.gz	WKRAWNABYNICFP-NSHDSACASA-N	0	2	293.371	-0.135	20	30		CBEDLN
C=CCC[C@@H](C)[NH+]1CC(O)(CNC(=O)Cc2nnc[nH]2)C1	ZINC001271375884	827697209	/nfs/dbraw/zinc/69/72/09/827697209.db2.gz	WKRAWNABYNICFP-LLVKDONJSA-N	0	2	293.371	-0.135	20	30		CBEDLN
C#CCC[N@H+]1CCC[C@@](CO)(NC(=O)c2nc[nH]n2)C1	ZINC001271988575	827746881	/nfs/dbraw/zinc/74/68/81/827746881.db2.gz	VPOVSOQSJKODIC-CYBMUJFWSA-N	0	2	277.328	-0.615	20	30		CBEDLN
C#CC[C@H](COC)Nc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001336702040	888850411	/nfs/dbraw/zinc/85/04/11/888850411.db2.gz	CSCCEKPRFLKUKA-MRVPVSSYSA-N	0	2	262.269	-0.605	20	30		CBEDLN
N#CCC(=O)N1CCN(Cc2n[nH]c(=O)[nH]2)CC1	ZINC001329018713	885885539	/nfs/dbraw/zinc/88/55/39/885885539.db2.gz	SXEFVUBUUWNZFK-UHFFFAOYSA-N	0	2	250.262	-0.932	20	30		CBEDLN
C=CC[C@@H]1NC(=O)N(Cc2nnc(COC)[nH]2)C1=O	ZINC001334372061	887940007	/nfs/dbraw/zinc/94/00/07/887940007.db2.gz	XDOCVEFHCITDIA-ZETCQYMHSA-N	0	2	265.273	-0.052	20	30		CBEDLN
C=C(C)COCCNc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001336560980	888795240	/nfs/dbraw/zinc/79/52/40/888795240.db2.gz	JWTHMORSQGHMGE-UHFFFAOYSA-N	0	2	264.285	-0.050	20	30		CBEDLN
C[C@@H]1CCOCCN1c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001336569857	888797648	/nfs/dbraw/zinc/79/76/48/888797648.db2.gz	PUCRPOQLNPDSLX-MRVPVSSYSA-N	0	2	264.285	-0.440	20	30		CBEDLN
C#CCN(Cc1n[nH]c(=O)[nH]1)[C@@H]1CCS(=O)(=O)C1	ZINC001337205536	888975237	/nfs/dbraw/zinc/97/52/37/888975237.db2.gz	NWOUFLGXGZCJQO-MRVPVSSYSA-N	0	2	270.314	-0.867	20	30		CBEDLN
C#C[C@@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)[C@H]1CCCO1	ZINC001337833169	889085633	/nfs/dbraw/zinc/08/56/33/889085633.db2.gz	XXJLPQCRHHVCDD-NXEZZACHSA-N	0	2	274.280	-0.462	20	30		CBEDLN
COCCCCNc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001339536304	889287447	/nfs/dbraw/zinc/28/74/47/889287447.db2.gz	QCFXFKMETKDXJP-UHFFFAOYSA-N	0	2	252.274	-0.216	20	30		CBEDLN
CN(C[C@H]1CCOC1)c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001339609035	889295698	/nfs/dbraw/zinc/29/56/98/889295698.db2.gz	DPRFIUSOWIHOFK-MRVPVSSYSA-N	0	2	264.285	-0.582	20	30		CBEDLN
Cn1c(=O)[nH]c(N2CC[C@@]23CCOC3)c(C#N)c1=O	ZINC001354217432	891538569	/nfs/dbraw/zinc/53/85/69/891538569.db2.gz	UAVRUCBVAUTVCN-LBPRGKRZSA-N	0	2	262.269	-0.686	20	30		CBEDLN
COC[C@H]1C[C@@H](Nc2[nH]c(=O)n(C)c(=O)c2C#N)C1	ZINC001354254770	891546953	/nfs/dbraw/zinc/54/69/53/891546953.db2.gz	CLGNUPLTTAMKKE-OCAPTIKFSA-N	0	2	264.285	-0.218	20	30		CBEDLN
Cn1c(=O)[nH]c(N2CC[C@@H](CF)C2)c(C#N)c1=O	ZINC001354256747	891548287	/nfs/dbraw/zinc/54/82/87/891548287.db2.gz	NDUIUPBAFHOAAA-ZETCQYMHSA-N	0	2	252.249	-0.259	20	30		CBEDLN
C[C@@H]1COC[C@H]1Nc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001354267369	891551627	/nfs/dbraw/zinc/55/16/27/891551627.db2.gz	IZZLHMWNYYSMJU-HTRCEHHLSA-N	0	2	250.258	-0.608	20	30		CBEDLN
N#CC1CCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC1	ZINC001362172021	892484191	/nfs/dbraw/zinc/48/41/91/892484191.db2.gz	HCUKHOCXLQEDIK-UHFFFAOYSA-N	0	2	286.295	-0.167	20	30		CBEDLN
C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC001362613024	892839537	/nfs/dbraw/zinc/83/95/37/892839537.db2.gz	NAAGBVGYPPHGEE-JMCQJSRRSA-N	0	2	274.284	-0.453	20	30		CBEDLN
C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC001362613024	892839543	/nfs/dbraw/zinc/83/95/43/892839543.db2.gz	NAAGBVGYPPHGEE-JMCQJSRRSA-N	0	2	274.284	-0.453	20	30		CBEDLN
COCC[C@H](COC)Nc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001363150910	893409746	/nfs/dbraw/zinc/40/97/46/893409746.db2.gz	APSQFNAHAWUYEW-MRVPVSSYSA-N	0	2	282.300	-0.591	20	30		CBEDLN
Cn1c(=O)[nH]c(NC[C@](C)(O)C(F)(F)F)c(C#N)c1=O	ZINC001363151694	893410820	/nfs/dbraw/zinc/41/08/20/893410820.db2.gz	YSAJBZPVWSLQOE-VIFPVBQESA-N	0	2	292.217	-0.330	20	30		CBEDLN
CS(=O)(=O)Cc1nnc(CNC(=O)C2(C#N)CCC2)[nH]1	ZINC001363635782	893866189	/nfs/dbraw/zinc/86/61/89/893866189.db2.gz	SNHQYJYCRAPOFL-UHFFFAOYSA-N	0	2	297.340	-0.341	20	30		CBEDLN
Cn1c(=O)[nH]c(NCCc2cnccn2)c(C#N)c1=O	ZINC001363724865	893942596	/nfs/dbraw/zinc/94/25/96/893942596.db2.gz	NVZOKCNXSMNEPN-UHFFFAOYSA-N	0	2	272.268	-0.610	20	30		CBEDLN
COC(=O)[C@]1(C)CCN(c2[nH]c(=O)n(C)c(=O)c2C#N)C1	ZINC001363739455	893954147	/nfs/dbraw/zinc/95/41/47/893954147.db2.gz	WOVDATAVUKOBTA-CYBMUJFWSA-N	0	2	292.295	-0.665	20	30		CBEDLN
CO[C@@H](CNc1[nH]c(=O)n(C)c(=O)c1C#N)[C@H]1CCOC1	ZINC001363743934	893957623	/nfs/dbraw/zinc/95/76/23/893957623.db2.gz	NWMLQWFFHHGKFR-WPRPVWTQSA-N	0	2	294.311	-0.591	20	30		CBEDLN
C[C@@]1(C#N)CN(C(=O)C[C@@H]2SC(=N)NC2=O)CCO1	ZINC001363764352	893972232	/nfs/dbraw/zinc/97/22/32/893972232.db2.gz	VDCHVFIXLZMEEW-WRWORJQWSA-N	0	2	282.325	-0.316	20	30		CBEDLN
C[C@]1(C#N)CN(C(=O)C[C@@H]2SC(=N)NC2=O)CCO1	ZINC001363764325	893972951	/nfs/dbraw/zinc/97/29/51/893972951.db2.gz	VDCHVFIXLZMEEW-CPCISQLKSA-N	0	2	282.325	-0.316	20	30		CBEDLN
C[C@@H](CC[S@](C)=O)Nc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001364153358	894219687	/nfs/dbraw/zinc/21/96/87/894219687.db2.gz	XKBIMZLESPNKPP-IIYDVTGLSA-N	0	2	284.341	-0.486	20	30		CBEDLN
Cn1c(=O)[nH]c(NCC2(CO)CCOCC2)c(C#N)c1=O	ZINC001364172641	894229537	/nfs/dbraw/zinc/22/95/37/894229537.db2.gz	RLIRHKLGWFYABJ-UHFFFAOYSA-N	0	2	294.311	-0.854	20	30		CBEDLN
Cc1n[nH]c(C)c1CCNc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001364170027	894230152	/nfs/dbraw/zinc/23/01/52/894230152.db2.gz	HHVOHZOKOJNRET-UHFFFAOYSA-N	0	2	288.311	-0.060	20	30		CBEDLN
CCc1nnc([C@@H](C)Nc2[nH]c(=O)n(C)c(=O)c2C#N)[nH]1	ZINC001364186170	894235811	/nfs/dbraw/zinc/23/58/11/894235811.db2.gz	XSMMZUHWWVMMLC-ZCFIWIBFSA-N	0	2	289.299	-0.201	20	30		CBEDLN
Cn1c(=O)[nH]c(NC[C@H](O)C(F)(F)F)c(C#N)c1=O	ZINC001364183402	894237270	/nfs/dbraw/zinc/23/72/70/894237270.db2.gz	ZJGJDECSFIMYOA-YFKPBYRVSA-N	0	2	278.190	-0.720	20	30		CBEDLN
CCc1nnc(CNc2[nH]c(=O)n(C)c(=O)c2C#N)[nH]1	ZINC001364195132	894245216	/nfs/dbraw/zinc/24/52/16/894245216.db2.gz	FFYGLKHFHVNPSS-UHFFFAOYSA-N	0	2	275.272	-0.762	20	30		CBEDLN
CN1CC[C@H](CNc2[nH]c(=O)n(C)c(=O)c2C#N)CC1=O	ZINC001364201070	894246737	/nfs/dbraw/zinc/24/67/37/894246737.db2.gz	NJVHMGBHVRPGCG-QMMMGPOBSA-N	0	2	291.311	-0.774	20	30		CBEDLN
Cn1c(=O)[nH]c(NC[C@H]2COC(C)(C)O2)c(C#N)c1=O	ZINC001364201621	894249349	/nfs/dbraw/zinc/24/93/49/894249349.db2.gz	WUMQEFWPUVKUMN-ZETCQYMHSA-N	0	2	280.284	-0.491	20	30		CBEDLN
Cn1c(=O)[nH]c(N2CC[C@H](c3ncccn3)C2)c(C#N)c1=O	ZINC001364245191	894281268	/nfs/dbraw/zinc/28/12/68/894281268.db2.gz	DLVBURLUCOOSOO-VIFPVBQESA-N	0	2	298.306	-0.271	20	30		CBEDLN
COC(=O)c1occc1Cn1c(=O)[nH]cc(C#N)c1=O	ZINC001364282074	894305321	/nfs/dbraw/zinc/30/53/21/894305321.db2.gz	CJTSQOBKOLGXRL-UHFFFAOYSA-N	0	2	275.220	-0.164	20	30		CBEDLN
C[C@H](CN1CCOCC1)Nc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001364530061	894481116	/nfs/dbraw/zinc/48/11/16/894481116.db2.gz	AOFMLQSPGPHWTK-SECBINFHSA-N	0	2	293.327	-0.922	20	30		CBEDLN
C[C@H](C[NH+]1CCOCC1)Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001364530061	894481123	/nfs/dbraw/zinc/48/11/23/894481123.db2.gz	AOFMLQSPGPHWTK-SECBINFHSA-N	0	2	293.327	-0.922	20	30		CBEDLN
Cn1c(=O)[nH]c(N[C@H](CO)C2CCOCC2)c(C#N)c1=O	ZINC001364556885	894493626	/nfs/dbraw/zinc/49/36/26/894493626.db2.gz	IRBWNUYOCWXNIA-SNVBAGLBSA-N	0	2	294.311	-0.855	20	30		CBEDLN
CN(C[C@@H]1CCCC[C@H]1O)c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001364559765	894494958	/nfs/dbraw/zinc/49/49/58/894494958.db2.gz	XQUXEIJKSUVATD-GXSJLCMTSA-N	0	2	292.339	-0.067	20	30		CBEDLN
Cn1c(=O)[nH]c(NCC2CCC(O)CC2)c(C#N)c1=O	ZINC001364584782	894507536	/nfs/dbraw/zinc/50/75/36/894507536.db2.gz	RQGVARKPFDIZLY-UHFFFAOYSA-N	0	2	278.312	-0.092	20	30		CBEDLN
CN(Cc1ccncc1)c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001365205392	894817862	/nfs/dbraw/zinc/81/78/62/894817862.db2.gz	DGEAUKGYCHEYBK-UHFFFAOYSA-N	0	2	271.280	-0.023	20	30		CBEDLN
Cn1c(=O)[nH]c(N[C@H]2CCCCNC2=O)c(C#N)c1=O	ZINC001365215796	894821900	/nfs/dbraw/zinc/82/19/00/894821900.db2.gz	RBVNUBWTUMTBOU-QMMMGPOBSA-N	0	2	277.284	-0.974	20	30		CBEDLN
CCC[C@H]1C(=O)NCCN1c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001365221415	894825661	/nfs/dbraw/zinc/82/56/61/894825661.db2.gz	BTXUWCFDZNCMQM-VIFPVBQESA-N	0	2	291.311	-0.950	20	30		CBEDLN
COC[C@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)[C@H]1CCCO1	ZINC001365220655	894827199	/nfs/dbraw/zinc/82/71/99/894827199.db2.gz	DOCJJBPEZRBNCC-VHSXEESVSA-N	0	2	294.311	-0.449	20	30		CBEDLN
Cn1c(=O)[nH]c(N2CCOc3ncccc3C2)c(C#N)c1=O	ZINC001365223767	894829876	/nfs/dbraw/zinc/82/98/76/894829876.db2.gz	IKLDESHJFMNPPZ-UHFFFAOYSA-N	0	2	299.290	-0.261	20	30		CBEDLN
C[C@@H](CO)[C@H]1CCCCN1c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001365228737	894834374	/nfs/dbraw/zinc/83/43/74/894834374.db2.gz	DQZVXJXJAFYNAR-GXSJLCMTSA-N	0	2	292.339	-0.067	20	30		CBEDLN
Cn1c(=O)[nH]c(N2CCO[C@](C)(C#N)C2)c(C#N)c1=O	ZINC001365239569	894840170	/nfs/dbraw/zinc/84/01/70/894840170.db2.gz	QHARMHSQYUQKST-GFCCVEGCSA-N	0	2	275.268	-0.936	20	30		CBEDLN
Cn1c(=O)[nH]c(NCC(O)(C2CC2)C2CC2)c(C#N)c1=O	ZINC001365239552	894840990	/nfs/dbraw/zinc/84/09/90/894840990.db2.gz	RHEKKNBSSQKROY-UHFFFAOYSA-N	0	2	290.323	-0.092	20	30		CBEDLN
C[C@H](C#N)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1n[nH]c(=O)[n-]1	ZINC001377388750	898031264	/nfs/dbraw/zinc/03/12/64/898031264.db2.gz	SINLQTYGNDPKEX-BDAKNGLRSA-N	0	2	278.316	-0.249	20	30		CBEDLN
C[C@H](C#N)C(=O)NC[C@@H]1CCC[N@H+]1Cc1n[nH]c(=O)[n-]1	ZINC001377388750	898031275	/nfs/dbraw/zinc/03/12/75/898031275.db2.gz	SINLQTYGNDPKEX-BDAKNGLRSA-N	0	2	278.316	-0.249	20	30		CBEDLN
Cn1c(=O)[nH]c(NCc2ccccn2)c(C#N)c1=O	ZINC001458064939	914623028	/nfs/dbraw/zinc/62/30/28/914623028.db2.gz	OLPRTHXSWNFBQU-UHFFFAOYSA-N	0	2	257.253	-0.048	20	30		CBEDLN
Cn1c(=O)[nH]c(NC2CCN(CC#N)CC2)c(C#N)c1=O	ZINC001458169730	914631301	/nfs/dbraw/zinc/63/13/01/914631301.db2.gz	HYIYTHYZRRWKFR-UHFFFAOYSA-N	0	2	288.311	-0.655	20	30		CBEDLN
Cn1c(=O)[nH]c(NC[C@H]2CCC[C@@H](O)C2)c(C#N)c1=O	ZINC001458201550	914629558	/nfs/dbraw/zinc/62/95/58/914629558.db2.gz	YFVLLZFWFFCGCC-DTWKUNHWSA-N	0	2	278.312	-0.092	20	30		CBEDLN
Cc1noc(CCNc2[nH]c(=O)n(C)c(=O)c2C#N)n1	ZINC001458133048	914630607	/nfs/dbraw/zinc/63/06/07/914630607.db2.gz	QHSDTVLJLHFSAT-UHFFFAOYSA-N	0	2	276.256	-0.709	20	30		CBEDLN
CCCCCN(CCO)c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001458231519	914634390	/nfs/dbraw/zinc/63/43/90/914634390.db2.gz	QDOKGYSCLWRMLW-UHFFFAOYSA-N	0	2	280.328	-0.066	20	30		CBEDLN
Cn1c(=O)[nH]c(N(CCCCO)C2CC2)c(C#N)c1=O	ZINC001458223258	914634661	/nfs/dbraw/zinc/63/46/61/914634661.db2.gz	TWHJGWLCHHUPLV-UHFFFAOYSA-N	0	2	278.312	-0.313	20	30		CBEDLN
Cn1c(=O)[nH]c(N2CCC[C@](O)(C3CC3)C2)c(C#N)c1=O	ZINC001458478063	914653342	/nfs/dbraw/zinc/65/33/42/914653342.db2.gz	MIDGNJUCYZGSRL-CQSZACIVSA-N	0	2	290.323	-0.313	20	30		CBEDLN
C[C@@H]1CN(c2[nH]c(=O)n(C)c(=O)c2C#N)C[C@@H](C)C1O	ZINC001458477993	914655119	/nfs/dbraw/zinc/65/51/19/914655119.db2.gz	XHAMPAJBVOEHDT-HTQZYQBOSA-N	0	2	278.312	-0.602	20	30		CBEDLN
Cn1c(=O)[nH]c(N2CC[C@H](O)CC23CCC3)c(C#N)c1=O	ZINC001458442311	914655294	/nfs/dbraw/zinc/65/52/94/914655294.db2.gz	BSUUYXKQDFQDQI-VIFPVBQESA-N	0	2	290.323	-0.171	20	30		CBEDLN
N#Cc1c[nH]c(=O)n(Cc2cc(=O)n3ccccc3n2)c1=O	ZINC001459133963	914702805	/nfs/dbraw/zinc/70/28/05/914702805.db2.gz	AVAUTRLAPKTNJU-UHFFFAOYSA-N	0	2	295.258	-0.536	20	30		CBEDLN
COC(=O)C1(CNc2[nH]c(=O)n(C)c(=O)c2C#N)CC1	ZINC001412878084	904778014	/nfs/dbraw/zinc/77/80/14/904778014.db2.gz	BHVLURMESLQJHR-UHFFFAOYSA-N	0	2	278.268	-0.690	20	30		CBEDLN
Cn1c(=O)[nH]c(NCc2cc(=O)cc[nH]2)c(C#N)c1=O	ZINC001412889588	904785584	/nfs/dbraw/zinc/78/55/84/904785584.db2.gz	WUWKUIZSZFTVPV-UHFFFAOYSA-N	0	2	273.252	-0.754	20	30		CBEDLN
Cn1c(=O)[nH]c(NC[C@H](O)C2CCOCC2)c(C#N)c1=O	ZINC001413875260	905253317	/nfs/dbraw/zinc/25/33/17/905253317.db2.gz	AJQBGRQIPHFQTI-JTQLQIEISA-N	0	2	294.311	-0.855	20	30		CBEDLN
Cn1c(=O)[nH]c(N2CCC3(CC2)OCCO3)c(C#N)c1=O	ZINC001413888764	905254975	/nfs/dbraw/zinc/25/49/75/905254975.db2.gz	OQLNMBQBAQJMFK-UHFFFAOYSA-N	0	2	292.295	-0.711	20	30		CBEDLN
CC(C)NC(=O)[C@H](C)Nc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001413896578	905260072	/nfs/dbraw/zinc/26/00/72/905260072.db2.gz	OWTRADUPFTWAEN-ZETCQYMHSA-N	0	2	279.300	-0.730	20	30		CBEDLN
C[C@H](CO)C1CCN(c2[nH]c(=O)n(C)c(=O)c2C#N)CC1	ZINC001413893754	905261059	/nfs/dbraw/zinc/26/10/59/905261059.db2.gz	UWHILYMNEMDPOE-SECBINFHSA-N	0	2	292.339	-0.210	20	30		CBEDLN
Cn1c(=O)[nH]c(N[C@@H]2C[C@@H](O)C23CCC3)c(C#N)c1=O	ZINC001413902217	905265620	/nfs/dbraw/zinc/26/56/20/905265620.db2.gz	VSOFREASQDQTFK-RKDXNWHRSA-N	0	2	276.296	-0.339	20	30		CBEDLN
Cn1c(=O)[nH]c(N[C@H]2C[C@H](O)C23CCC3)c(C#N)c1=O	ZINC001413902212	905265693	/nfs/dbraw/zinc/26/56/93/905265693.db2.gz	VSOFREASQDQTFK-IUCAKERBSA-N	0	2	276.296	-0.339	20	30		CBEDLN
C[C@H](C#N)C(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[nH]2)C1	ZINC001417904063	906100612	/nfs/dbraw/zinc/10/06/12/906100612.db2.gz	FVCMDODGZBYRHI-BDAKNGLRSA-N	0	2	278.316	-0.249	20	30		CBEDLN
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C[C@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)[C@@H](O)C(F)(F)F	ZINC001421215101	907467452	/nfs/dbraw/zinc/46/74/52/907467452.db2.gz	DYWZHJXUKCRJPP-UJURSFKZSA-N	0	2	292.217	-0.331	20	30		CBEDLN
Cn1c(=O)[nH]c(N[C@@H]2CC[C@H]([S@](C)=O)C2)c(C#N)c1=O	ZINC001421289888	907485319	/nfs/dbraw/zinc/48/53/19/907485319.db2.gz	JMHHVAUPMJOEHG-RDLWGGRYSA-N	0	2	296.352	-0.343	20	30		CBEDLN
C[C@@H](C#N)C(=O)N[C@@H](C)CNC(=O)c1[nH]ncc1F	ZINC001505403326	921423314	/nfs/dbraw/zinc/42/33/14/921423314.db2.gz	VTIJKJMWUXUQNJ-BQBZGAKWSA-N	0	2	267.264	-0.057	20	30		CBEDLN
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CCO[C@H]1COCC[C@H]1Nc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001434444150	910188610	/nfs/dbraw/zinc/18/86/10/910188610.db2.gz	DKLKXMNWJAUYMJ-ZJUUUORDSA-N	0	2	294.311	-0.449	20	30		CBEDLN
Cn1c(=O)[nH]c(N2CC[C@H](C3OCCO3)C2)c(C#N)c1=O	ZINC001434450224	910193286	/nfs/dbraw/zinc/19/32/86/910193286.db2.gz	GKVDLWPRQKUXAY-QMMMGPOBSA-N	0	2	292.295	-0.856	20	30		CBEDLN
Cn1c(=O)[nH]c(N2CCc3ccnc(N)c3C2)c(C#N)c1=O	ZINC001434451000	910193927	/nfs/dbraw/zinc/19/39/27/910193927.db2.gz	OTYWWJIUFGAPCT-UHFFFAOYSA-N	0	2	298.306	-0.515	20	30		CBEDLN
CN(CCN1CCCC1=O)c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001472695094	915761572	/nfs/dbraw/zinc/76/15/72/915761572.db2.gz	GPNDVJOTDCUFMR-UHFFFAOYSA-N	0	2	291.311	-0.996	20	30		CBEDLN
Cn1ccc(CCNc2[nH]c(=O)n(C)c(=O)c2C#N)n1	ZINC001472751516	915765149	/nfs/dbraw/zinc/76/51/49/915765149.db2.gz	MJFPEFOGHZQOEM-UHFFFAOYSA-N	0	2	274.284	-0.667	20	30		CBEDLN
Cn1c(=O)[nH]c(N2CCC[C@H](CO)CC2)c(C#N)c1=O	ZINC001472794856	915767880	/nfs/dbraw/zinc/76/78/80/915767880.db2.gz	ZIYFRKPMSPCZDP-VIFPVBQESA-N	0	2	278.312	-0.456	20	30		CBEDLN
C[C@@H]1CN(c2[nH]c(=O)n(C)c(=O)c2C#N)C[C@@]1(C)CO	ZINC001472836123	915772683	/nfs/dbraw/zinc/77/26/83/915772683.db2.gz	XUTITXCCVSBWSQ-OQPBUACISA-N	0	2	278.312	-0.600	20	30		CBEDLN
Cn1cncc1CNc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001472857741	915772990	/nfs/dbraw/zinc/77/29/90/915772990.db2.gz	GIWMRJRQNVEKJS-UHFFFAOYSA-N	0	2	260.257	-0.709	20	30		CBEDLN
Cn1c(=O)[nH]c(NCCC[S@@](C)=O)c(C#N)c1=O	ZINC001472883589	915777397	/nfs/dbraw/zinc/77/73/97/915777397.db2.gz	AGCPVYUCPGEFCS-GOSISDBHSA-N	0	2	270.314	-0.874	20	30		CBEDLN
COC(=O)c1cccc(Cn2c(=O)[nH]cc(C#N)c2=O)n1	ZINC001473048458	915791641	/nfs/dbraw/zinc/79/16/41/915791641.db2.gz	XYZYNRVUNCMXGE-UHFFFAOYSA-N	0	2	286.247	-0.362	20	30		CBEDLN
C#CCO[C@H](C)C(=O)NC[C@H]1CCN1Cc1n[nH]c(=O)[nH]1	ZINC001483649928	917622484	/nfs/dbraw/zinc/62/24/84/917622484.db2.gz	PGVLGRXWYBLYQO-NXEZZACHSA-N	0	2	293.327	-0.761	20	30		CBEDLN
N#CCN1CC[C@@](O)(CNC(=O)C(F)C(F)(F)F)C1	ZINC001484220056	917771363	/nfs/dbraw/zinc/77/13/63/917771363.db2.gz	MSSBXOJKXMNHRA-VXNVDRBHSA-N	0	2	283.225	-0.037	20	30		CBEDLN
N#CCN1CC[C@@](O)(CNC(=O)[C@@H](F)C(F)(F)F)C1	ZINC001484220056	917771375	/nfs/dbraw/zinc/77/13/75/917771375.db2.gz	MSSBXOJKXMNHRA-VXNVDRBHSA-N	0	2	283.225	-0.037	20	30		CBEDLN
Cn1c(=O)[nH]c(N[C@]2(C)CCOC2)c(C#N)c1=O	ZINC001515595232	922239104	/nfs/dbraw/zinc/23/91/04/922239104.db2.gz	NGVJYFNNJPBVCE-LLVKDONJSA-N	0	2	250.258	-0.464	20	30		CBEDLN
CC[C@@H](CO)N1CCN(C(=O)C#CCOC)CC1	ZINC001545911392	923330734	/nfs/dbraw/zinc/33/07/34/923330734.db2.gz	DQBOHFLBNVKYKI-LBPRGKRZSA-N	0	2	254.330	-0.449	20	30		CBEDLN
CCC(CC)(CO)Nc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001559129193	924212285	/nfs/dbraw/zinc/21/22/85/924212285.db2.gz	UKMXRNQWKRJFRG-UHFFFAOYSA-N	0	2	266.301	-0.092	20	30		CBEDLN
C[C@@H]1CN(c2[nH]c(=O)n(C)c(=O)c2C#N)CC[C@H]1O	ZINC001559172551	924214083	/nfs/dbraw/zinc/21/40/83/924214083.db2.gz	HVGUUDXNONKOFE-VXNVDRBHSA-N	0	2	264.285	-0.848	20	30		CBEDLN
N#Cc1nc(NC(=O)Cn2ccccc2=O)[nH]c1C#N	ZINC000045580575	351450475	/nfs/dbraw/zinc/45/04/75/351450475.db2.gz	LLQLFRBVMMJSBZ-UHFFFAOYSA-N	0	2	268.236	-0.047	20	30		CBEDLN
C[C@@H](C#N)CN(C)C(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1	ZINC000148090220	351929064	/nfs/dbraw/zinc/92/90/64/351929064.db2.gz	PJEYXAGIIGHITM-ZETCQYMHSA-N	0	2	287.279	-0.157	20	30		CBEDLN
COC(=O)[C@@H]1C[C@@H]1C(=O)Nc1nc(C#N)c(C#N)[nH]1	ZINC000171183550	352008602	/nfs/dbraw/zinc/00/86/02/352008602.db2.gz	JCXODEHLLIAOHV-NTSWFWBYSA-N	0	2	259.225	-0.099	20	30		CBEDLN
C=CC[C@@H](CO)NC(=O)CSc1n[nH]c(=O)[nH]1	ZINC000357672400	353603854	/nfs/dbraw/zinc/60/38/54/353603854.db2.gz	HPYVXTKJRMESEE-LURJTMIESA-N	0	2	258.303	-0.344	20	30		CBEDLN
C=C[C@@H](CO)NC(=O)C(=O)N=c1nc(C(C)(C)C)[nH]s1	ZINC000354645560	353574311	/nfs/dbraw/zinc/57/43/11/353574311.db2.gz	DDBMEXIBPFNROA-ZETCQYMHSA-N	0	2	298.368	-0.141	20	30		CBEDLN
C=C(C)CS(=O)(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)[O-]	ZINC000566977714	354778807	/nfs/dbraw/zinc/77/88/07/354778807.db2.gz	YLCDIVYCDHNDGV-SECBINFHSA-N	0	2	273.314	-0.099	20	30		CBEDLN
C=C(C)CS(=O)(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)[O-]	ZINC000566977714	354778809	/nfs/dbraw/zinc/77/88/09/354778809.db2.gz	YLCDIVYCDHNDGV-SECBINFHSA-N	0	2	273.314	-0.099	20	30		CBEDLN
CC[C@H](C)NC(=O)Cn1c(=O)[nH]cc(C#N)c1=O	ZINC000579711876	354977755	/nfs/dbraw/zinc/97/77/55/354977755.db2.gz	KEOHFBZRVLFJLB-ZETCQYMHSA-N	0	2	250.258	-0.677	20	30		CBEDLN
C[C@@H]1CN(Cc2n[nH]c(=O)[nH]2)C[C@@H](C)N1CC#N	ZINC000602856031	355676518	/nfs/dbraw/zinc/67/65/18/355676518.db2.gz	YBBARFCTCFXQIF-RKDXNWHRSA-N	0	2	250.306	-0.072	20	30		CBEDLN
C=C[C@H](O)C(=O)N1CCC(c2n[nH]c(=O)[nH]2)CC1	ZINC000614260106	355947408	/nfs/dbraw/zinc/94/74/08/355947408.db2.gz	QOWLMBAIKPIZME-QMMMGPOBSA-N	0	2	252.274	-0.237	20	30		CBEDLN
C=C[C@@H](C)NC(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1	ZINC000155691870	220216413	/nfs/dbraw/zinc/21/64/13/220216413.db2.gz	RXAYWPHOMKMUHK-ZCFIWIBFSA-N	0	2	260.253	-0.084	20	30		CBEDLN
C#CCN(C(=O)CSc1n[nH]c(=O)[nH]1)C1CC1	ZINC000287983933	220301357	/nfs/dbraw/zinc/30/13/57/220301357.db2.gz	WYLYZOAHUWKEND-UHFFFAOYSA-N	0	2	252.299	-0.186	20	30		CBEDLN
CC(C)(NC(=O)C(F)(F)F)C(=O)NCC#CCO	ZINC000294338974	220317275	/nfs/dbraw/zinc/31/72/75/220317275.db2.gz	RYUMBBGHZVJHFI-UHFFFAOYSA-N	0	2	266.219	-0.445	20	30		CBEDLN
O=C(N=c1cn[n-]s1)NC[C@@H](O)C[NH+]1CCOCC1	ZINC000330205615	220350161	/nfs/dbraw/zinc/35/01/61/220350161.db2.gz	CPUMJIWTEKQMNY-MRVPVSSYSA-N	0	2	287.345	-0.443	20	30		CBEDLN
C#CC[NH+](C)CCCNC(=O)[C@H]1COCC[N@H+]1CC	ZINC000491462551	332215967	/nfs/dbraw/zinc/21/59/67/332215967.db2.gz	JHPHEEZNUWHGCI-CYBMUJFWSA-N	0	2	267.373	-0.222	20	30		CBEDLN
CCCn1ncnc1Cn1c(=O)[nH]cc(C#N)c1=O	ZINC000567613280	334740358	/nfs/dbraw/zinc/74/03/58/334740358.db2.gz	WKPWETOVNWTSGS-UHFFFAOYSA-N	0	2	260.257	-0.542	20	30		CBEDLN
CC(C)(C)CCNC(=O)Cn1c(=O)[nH]cc(C#N)c1=O	ZINC000576822350	335251943	/nfs/dbraw/zinc/25/19/43/335251943.db2.gz	CCJATOAWVYGARP-UHFFFAOYSA-N	0	2	278.312	-0.039	20	30		CBEDLN
CCN(CC)C(=O)Cn1c(=O)[nH]cc(C#N)c1=O	ZINC000581666982	336121075	/nfs/dbraw/zinc/12/10/75/336121075.db2.gz	KNWSSNDDBZANLO-UHFFFAOYSA-N	0	2	250.258	-0.723	20	30		CBEDLN
NC(=O)CNC(=S)NN=Cc1cc([N+](=O)[O-])ccc1O	ZINC000731929016	582155565	/nfs/dbraw/zinc/15/55/65/582155565.db2.gz	ADWWYWXEKNMCPS-UHFFFAOYSA-N	0	2	297.296	-0.416	20	30		CBEDLN
N#CCN1CCN(C(=O)C[C@@H]2SC(=N)NC2=O)CC1	ZINC000744553813	582280037	/nfs/dbraw/zinc/28/00/37/582280037.db2.gz	SARXFGFGOVFDGX-QMMMGPOBSA-N	0	2	281.341	-0.789	20	30		CBEDLN
COCCN(CCC#N)C(=O)C[C@@H]1SC(=N)NC1=O	ZINC000749305746	582289475	/nfs/dbraw/zinc/28/94/75/582289475.db2.gz	SGEFSJIUHZYYNY-QMMMGPOBSA-N	0	2	284.341	-0.068	20	30		CBEDLN
N#C[C@H]1COCCN1C(=O)C[C@H]1SC(=N)NC1=O	ZINC000756953130	582304715	/nfs/dbraw/zinc/30/47/15/582304715.db2.gz	CZBHMRLPYNMDLY-NKWVEPMBSA-N	0	2	268.298	-0.706	20	30		CBEDLN
C#CCOCCC(=O)NS(=O)(=O)c1ccc(OC)nc1	ZINC000759827580	582310963	/nfs/dbraw/zinc/31/09/63/582310963.db2.gz	DKUOVLJJVLPIQU-UHFFFAOYSA-N	0	2	298.320	-0.065	20	30		CBEDLN
Cc1cc([C@H](C#N)C(=O)Cn2ncn(C)c2=O)nc(C)n1	ZINC000765587021	582328090	/nfs/dbraw/zinc/32/80/90/582328090.db2.gz	KOBDHDRCIUYZHC-JTQLQIEISA-N	0	2	286.295	-0.135	20	30		CBEDLN
Cc1cc(C(C#N)C(=O)Cn2ncn(C)c2=O)nc(C)n1	ZINC000765587021	582328091	/nfs/dbraw/zinc/32/80/91/582328091.db2.gz	KOBDHDRCIUYZHC-JTQLQIEISA-N	0	2	286.295	-0.135	20	30		CBEDLN
C=CC[C@@H](CO)CNC(=O)Cn1[nH]cc2c(=O)ncnc1-2	ZINC000775563683	582352894	/nfs/dbraw/zinc/35/28/94/582352894.db2.gz	GZLAWFHXOUIHDO-SECBINFHSA-N	0	2	291.311	-0.628	20	30		CBEDLN
N#Cc1nc(NC(=O)CN2CCOCC2)[nH]c1C#N	ZINC000779171446	582360443	/nfs/dbraw/zinc/36/04/43/582360443.db2.gz	DDDUMWMQGIOPNV-UHFFFAOYSA-N	0	2	260.257	-0.576	20	30		CBEDLN
N#C[C@@]1(F)CCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1	ZINC000786670494	582379393	/nfs/dbraw/zinc/37/93/93/582379393.db2.gz	UAOGDTYYKMESSE-LBPRGKRZSA-N	0	2	290.258	-0.465	20	30		CBEDLN
Cn1nncc1NS(=O)(=O)c1ccc(C#N)nc1	ZINC000788205533	582385100	/nfs/dbraw/zinc/38/51/00/582385100.db2.gz	OEKZLKKPOQAGDK-UHFFFAOYSA-N	0	2	264.270	-0.117	20	30		CBEDLN
CC1(C#N)CN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1	ZINC000796411750	582411773	/nfs/dbraw/zinc/41/17/73/582411773.db2.gz	LHDMQXZZLUZCMG-UHFFFAOYSA-N	0	2	272.268	-0.557	20	30		CBEDLN
C=CCOCCOC(=O)Cn1[nH]cc2c(=O)ncnc1-2	ZINC000797297755	582413375	/nfs/dbraw/zinc/41/33/75/582413375.db2.gz	XNBIRNGXUJVTPB-UHFFFAOYSA-N	0	2	278.268	-0.183	20	30		CBEDLN
CC1(C#N)CN(C(=O)C[C@@H]2SC(=N)NC2=O)C1	ZINC000797760654	582413869	/nfs/dbraw/zinc/41/38/69/582413869.db2.gz	AFFKXWQRMKCCKZ-LURJTMIESA-N	0	2	252.299	-0.085	20	30		CBEDLN
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CC(C)(NC(=O)C(F)(F)F)C(=O)NCC(=O)NCC#N	ZINC000804819984	582430824	/nfs/dbraw/zinc/43/08/24/582430824.db2.gz	VDAITSFYASVOHS-UHFFFAOYSA-N	0	2	294.233	-0.801	20	30		CBEDLN
C#CCNC(=O)CN1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1	ZINC000808776845	582444514	/nfs/dbraw/zinc/44/45/14/582444514.db2.gz	DEPHFGZTAXKHJS-SECBINFHSA-N	0	2	263.301	-0.561	20	30		CBEDLN
C#CCONC(=O)CSCC(=O)NOCC#C	ZINC000812785432	582452893	/nfs/dbraw/zinc/45/28/93/582452893.db2.gz	QARHAVRQOYCISH-UHFFFAOYSA-N	0	2	256.283	-0.918	20	30		CBEDLN
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CC(C)(NC(=O)C(F)(F)F)C(=O)N[C@H]1CCN(O)C1=O	ZINC000816697022	582481130	/nfs/dbraw/zinc/48/11/30/582481130.db2.gz	OSYLEIAOQGFDLK-YFKPBYRVSA-N	0	2	297.233	-0.450	20	30		CBEDLN
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1	ZINC000819811267	582542644	/nfs/dbraw/zinc/54/26/44/582542644.db2.gz	MOXSCJVKQMYPMD-RISCZKNCSA-N	0	2	295.339	-0.076	20	30		CBEDLN
C[C@](C#N)(CC(=O)[O-])C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1	ZINC000819811264	582542656	/nfs/dbraw/zinc/54/26/56/582542656.db2.gz	MOXSCJVKQMYPMD-BXUZGUMPSA-N	0	2	295.339	-0.076	20	30		CBEDLN
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CC[C@H]([NH+]2CCOCC2)C1	ZINC000819811266	582542660	/nfs/dbraw/zinc/54/26/60/582542660.db2.gz	MOXSCJVKQMYPMD-FZMZJTMJSA-N	0	2	295.339	-0.076	20	30		CBEDLN
C[C@](C#N)(CC(=O)[O-])C(=O)OCC[NH+]1CCOCC1	ZINC000819865837	582544486	/nfs/dbraw/zinc/54/44/86/582544486.db2.gz	ORHYBRGZJKKEKM-GFCCVEGCSA-N	0	2	270.285	-0.134	20	30		CBEDLN
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CCONC(=O)CNC(=O)N1CC[C@@](F)(C#N)C1	ZINC000845538145	583317978	/nfs/dbraw/zinc/31/79/78/583317978.db2.gz	RCVQWFHZBABUJL-SNVBAGLBSA-N	0	2	258.253	-0.299	20	30		CBEDLN
C=C(C)CONC(=O)CN1CCS(=O)(=O)CC1	ZINC000846539116	583375630	/nfs/dbraw/zinc/37/56/30/583375630.db2.gz	XNYSQWUWLXXWIH-UHFFFAOYSA-N	0	2	262.331	-0.659	20	30		CBEDLN
CC1(C)OC[C@H](Cn2c(=O)[nH]cc(C#N)c2=O)O1	ZINC000849924327	583491229	/nfs/dbraw/zinc/49/12/29/583491229.db2.gz	GQRJIRWMBQNOME-QMMMGPOBSA-N	0	2	251.242	-0.440	20	30		CBEDLN
C#C[C@](C)(CC)NC(=O)Cn1[nH]cc2c(=O)ncnc1-2	ZINC000854697397	583616915	/nfs/dbraw/zinc/61/69/15/583616915.db2.gz	BBUQZYOXSYVTBY-CYBMUJFWSA-N	0	2	273.296	-0.011	20	30		CBEDLN
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C[C@H](C#N)N(C(=O)Cn1[nH]cc2c(=O)ncnc1-2)C1CC1	ZINC000855584029	583643507	/nfs/dbraw/zinc/64/35/07/583643507.db2.gz	MYFKSXGOKFTOGV-MRVPVSSYSA-N	0	2	286.295	-0.026	20	30		CBEDLN
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C#CC1(F)CN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1	ZINC000881944182	584301707	/nfs/dbraw/zinc/30/17/07/584301707.db2.gz	QVKHAEFJKFXBIK-UHFFFAOYSA-N	0	2	275.243	-0.745	20	30		CBEDLN
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C#CCNC(=O)[C@H](C)[N@H+]1CCN(C(=O)[O-])[C@@H](C)C1	ZINC000738461530	603357883	/nfs/dbraw/zinc/35/78/83/603357883.db2.gz	ULVVQGYUJRQCMZ-UWVGGRQHSA-N	0	2	253.302	-0.192	20	30		CBEDLN
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CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001076883086	805645486	/nfs/dbraw/zinc/64/54/86/805645486.db2.gz	PYEAYHDJXUIMBG-NXEZZACHSA-N	0	2	278.312	-0.778	20	30		CBEDLN
CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001076883086	805645491	/nfs/dbraw/zinc/64/54/91/805645491.db2.gz	PYEAYHDJXUIMBG-NXEZZACHSA-N	0	2	278.312	-0.778	20	30		CBEDLN
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CCOC(=O)C(C#N)NS(=O)(=O)c1nccn1C	ZINC001193622593	824040845	/nfs/dbraw/zinc/04/08/45/824040845.db2.gz	VLLCYQCVEMQLDE-ZETCQYMHSA-N	0	2	272.286	-0.846	20	30		CBEDLN
CCOC(=O)[C@H](C#N)NS(=O)(=O)c1nccn1C	ZINC001193622593	824040849	/nfs/dbraw/zinc/04/08/49/824040849.db2.gz	VLLCYQCVEMQLDE-ZETCQYMHSA-N	0	2	272.286	-0.846	20	30		CBEDLN
COC(=O)c1cc(C(=O)n2nc(N)c(C#N)c2N)[nH]n1	ZINC001194282185	824068494	/nfs/dbraw/zinc/06/84/94/824068494.db2.gz	DJKSULHZGPAHRL-UHFFFAOYSA-N	0	2	275.228	-0.883	20	30		CBEDLN
CCOC(=O)[C@@H](C#N)NS(=O)(=O)c1cnc(C)n1C	ZINC001198418163	824228335	/nfs/dbraw/zinc/22/83/35/824228335.db2.gz	AVVBOHRFBMLDHY-MRVPVSSYSA-N	0	2	286.313	-0.538	20	30		CBEDLN
C=CCO[C@H](C[NH+]1CCOCC1)CS(=O)(=O)[O-]	ZINC001205031846	824373531	/nfs/dbraw/zinc/37/35/31/824373531.db2.gz	MCRIVAIPRWBIBK-SNVBAGLBSA-N	0	2	265.331	-0.222	20	30		CBEDLN
Cn1nnc(NS(=O)(=O)c2ccc(C#N)o2)n1	ZINC001213602939	824513584	/nfs/dbraw/zinc/51/35/84/824513584.db2.gz	FCWYIYNUYMBSGB-UHFFFAOYSA-N	0	2	254.231	-0.524	20	30		CBEDLN
COC(=O)[C@H](O)C[N@@H+]1CC[C@H]2SC(=O)C=C2C1	ZINC001252415373	825843555	/nfs/dbraw/zinc/84/35/55/825843555.db2.gz	OUFKYPRPDMCSMO-RKDXNWHRSA-N	0	2	257.311	-0.206	20	30		CBEDLN
CCOC(=O)C(C#N)NS(=O)(=O)c1cn(C)cn1	ZINC001259002864	826074195	/nfs/dbraw/zinc/07/41/95/826074195.db2.gz	AFYCPUMAUSWGIG-ZETCQYMHSA-N	0	2	272.286	-0.846	20	30		CBEDLN
CCOC(=O)[C@H](C#N)NS(=O)(=O)c1cn(C)cn1	ZINC001259002864	826074200	/nfs/dbraw/zinc/07/42/00/826074200.db2.gz	AFYCPUMAUSWGIG-ZETCQYMHSA-N	0	2	272.286	-0.846	20	30		CBEDLN
CCOC(=O)C(C#N)NS(=O)(=O)c1cn(C)c(C)n1	ZINC001260552152	826468495	/nfs/dbraw/zinc/46/84/95/826468495.db2.gz	WMJIBGMZRQFFKI-QMMMGPOBSA-N	0	2	286.313	-0.538	20	30		CBEDLN
CCOC(=O)[C@H](C#N)NS(=O)(=O)c1cn(C)c(C)n1	ZINC001260552152	826468497	/nfs/dbraw/zinc/46/84/97/826468497.db2.gz	WMJIBGMZRQFFKI-QMMMGPOBSA-N	0	2	286.313	-0.538	20	30		CBEDLN
N#C[C@@H]1CN(S(=O)(=O)c2cn[nH]c2)CCC1=O	ZINC001260958141	826480347	/nfs/dbraw/zinc/48/03/47/826480347.db2.gz	HSHVCHCJNRVGRL-SSDOTTSWSA-N	0	2	254.271	-0.487	20	30		CBEDLN
CCOC(=O)[C@@H](C#N)NS(=O)(=O)c1cn[nH]c1	ZINC001260964149	826482017	/nfs/dbraw/zinc/48/20/17/826482017.db2.gz	OYUXYBUQEWFXOL-SSDOTTSWSA-N	0	2	258.259	-0.857	20	30		CBEDLN
O=C(C[C@@H]1S/C(=N/CC2CC2)NC1=O)NCCCO	ZINC001262078385	826634085	/nfs/dbraw/zinc/63/40/85/826634085.db2.gz	HGQRNWZAJIEKIW-VIFPVBQESA-N	0	2	285.369	-0.127	20	30		CBEDLN
CO[C@H]1CCN(c2[nH]c(=O)n(C)c(=O)c2C#N)C1	ZINC001262685684	826723341	/nfs/dbraw/zinc/72/33/41/826723341.db2.gz	JZLMYNYTYCRZIT-ZETCQYMHSA-N	0	2	250.258	-0.830	20	30		CBEDLN
C=CCOCC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[nH]2)C1	ZINC001266308410	826976380	/nfs/dbraw/zinc/97/63/80/826976380.db2.gz	VXHIYFNYBWWHKO-VIFPVBQESA-N	0	2	281.316	-0.597	20	30		CBEDLN
CC(C)(C)C#CC(=O)NC1CN(Cc2n[nH]c(=O)[nH]2)C1	ZINC001268299826	827284058	/nfs/dbraw/zinc/28/40/58/827284058.db2.gz	KNSZZSKOWAKUHG-UHFFFAOYSA-N	0	2	277.328	-0.140	20	30		CBEDLN
C=CCCC[NH+]1CC(O)(CNC(=O)Cc2nnc[nH]2)C1	ZINC001271376059	827696532	/nfs/dbraw/zinc/69/65/32/827696532.db2.gz	YSAZAIWCLCHCGJ-UHFFFAOYSA-N	0	2	279.344	-0.524	20	30		CBEDLN
CN(CC[N@H+](C)Cc1n[nH]c(=O)[n-]1)C(=O)C#CC1CC1	ZINC001272013106	827750112	/nfs/dbraw/zinc/75/01/12/827750112.db2.gz	FRXVTCQDRJQVCD-UHFFFAOYSA-N	0	2	277.328	-0.186	20	30		CBEDLN
CN(CC[N@@H+](C)Cc1n[nH]c(=O)[n-]1)C(=O)C#CC1CC1	ZINC001272013106	827750121	/nfs/dbraw/zinc/75/01/21/827750121.db2.gz	FRXVTCQDRJQVCD-UHFFFAOYSA-N	0	2	277.328	-0.186	20	30		CBEDLN
Cn1c(=O)[nH]c(NC[C@@H]2CCCOC2)c(C#N)c1=O	ZINC001347931419	890534770	/nfs/dbraw/zinc/53/47/70/890534770.db2.gz	HBOOCNLDKVEORA-QMMMGPOBSA-N	0	2	264.285	-0.216	20	30		CBEDLN
CCOC(=O)[C@@H](NS(=O)(=O)CC#N)c1cnccn1	ZINC001193002811	884733512	/nfs/dbraw/zinc/73/35/12/884733512.db2.gz	OCKMDBOZYUHCAR-VIFPVBQESA-N	0	2	284.297	-0.476	20	30		CBEDLN
C[C@H]1COCCCN1c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001337079581	888959388	/nfs/dbraw/zinc/95/93/88/888959388.db2.gz	BFIYWQMJVIJZQK-QMMMGPOBSA-N	0	2	264.285	-0.440	20	30		CBEDLN
C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CCc1c[nH]c[nH+]1	ZINC001128972979	884669451	/nfs/dbraw/zinc/66/94/51/884669451.db2.gz	PVRFTUFNPPYXCB-NSHDSACASA-N	0	2	291.355	-0.814	20	30		CBEDLN
C=CCn1cc(CNC(=O)C[C@@H]2SC(=N)NC2=O)nn1	ZINC001325890730	884839536	/nfs/dbraw/zinc/83/95/36/884839536.db2.gz	JUHBAANVJZQETA-QMMMGPOBSA-N	0	2	294.340	-0.363	20	30		CBEDLN
C[C@@H]1CN(c2[nH]c(=O)n(C)c(=O)c2C#N)[C@@H](C)CO1	ZINC001336458051	888765906	/nfs/dbraw/zinc/76/59/06/888765906.db2.gz	QPPRXRGHDPKBCS-JGVFFNPUSA-N	0	2	264.285	-0.441	20	30		CBEDLN
C[C@@H]1OCCN(c2[nH]c(=O)n(C)c(=O)c2C#N)[C@H]1C	ZINC001336561634	888795169	/nfs/dbraw/zinc/79/51/69/888795169.db2.gz	ROCDAJPFTSLFRD-YUMQZZPRSA-N	0	2	264.285	-0.441	20	30		CBEDLN
CC[C@@H]1COCCN1c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001337042790	888953166	/nfs/dbraw/zinc/95/31/66/888953166.db2.gz	RLTYBWQMFSCRDD-MRVPVSSYSA-N	0	2	264.285	-0.440	20	30		CBEDLN
Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)[C@@H]1COC(=O)N1	ZINC001342717053	889820527	/nfs/dbraw/zinc/82/05/27/889820527.db2.gz	MOGKYLMCBORCES-BQBZGAKWSA-N	0	2	262.225	-0.580	20	30		CBEDLN
C=C[C@@H](COC)NC(=O)Cn1[nH]cc2c(=O)ncnc1-2	ZINC001342745856	889825129	/nfs/dbraw/zinc/82/51/29/889825129.db2.gz	BVMCQAZVHRTFDP-QMMMGPOBSA-N	0	2	277.284	-0.612	20	30		CBEDLN
Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)[C@@H]1CCN(C)C1=O	ZINC001343348597	889892856	/nfs/dbraw/zinc/89/28/56/889892856.db2.gz	FHXSDHGMJVCAKA-IUCAKERBSA-N	0	2	274.280	-0.210	20	30		CBEDLN
C#CCOCCN(C)C(=O)C[C@H]1SC(=N)NC1=O	ZINC001347673408	890495923	/nfs/dbraw/zinc/49/59/23/890495923.db2.gz	IYLBQAKUIRTOAY-MRVPVSSYSA-N	0	2	269.326	-0.349	20	30		CBEDLN
Cn1c(=O)[nH]c(NCC2CSC2)c(C#N)c1=O	ZINC001348269003	890582341	/nfs/dbraw/zinc/58/23/41/890582341.db2.gz	BYIFXADGXHUOED-UHFFFAOYSA-N	0	2	252.299	-0.280	20	30		CBEDLN
C[C@H]1C(=O)CCCN1c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001348324008	890599010	/nfs/dbraw/zinc/59/90/10/890599010.db2.gz	SWTVLOCUZARVNA-ZETCQYMHSA-N	0	2	262.269	-0.497	20	30		CBEDLN
CO[C@@H]1CC[C@H](Nc2[nH]c(=O)n(C)c(=O)c2C#N)C1	ZINC001354170511	891526440	/nfs/dbraw/zinc/52/64/40/891526440.db2.gz	CUTZJWJXSWMWKU-JGVFFNPUSA-N	0	2	264.285	-0.075	20	30		CBEDLN
Cn1c(=O)[nH]c(N2CC[C@H](CF)C2)c(C#N)c1=O	ZINC001354256725	891548342	/nfs/dbraw/zinc/54/83/42/891548342.db2.gz	NDUIUPBAFHOAAA-SSDOTTSWSA-N	0	2	252.249	-0.259	20	30		CBEDLN
N#C[C@H]1CCCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1	ZINC001362878140	893130619	/nfs/dbraw/zinc/13/06/19/893130619.db2.gz	JKWHGVIUNAJUGE-SECBINFHSA-N	0	2	286.295	-0.167	20	30		CBEDLN
Cn1c(=O)[nH]c(N[C@@H]2CCNC(=O)CC2)c(C#N)c1=O	ZINC001363149649	893407253	/nfs/dbraw/zinc/40/72/53/893407253.db2.gz	CPOQVVIOWWAHGW-ZETCQYMHSA-N	0	2	277.284	-0.974	20	30		CBEDLN
Cn1c(=O)[nH]c(NCC2(CC(N)=O)CC2)c(C#N)c1=O	ZINC001363149295	893407663	/nfs/dbraw/zinc/40/76/63/893407663.db2.gz	ABTCFAMZUGTDRN-UHFFFAOYSA-N	0	2	277.284	-0.987	20	30		CBEDLN
N#C[C@]1(C(=O)NCc2nc(O)cc(=O)[nH]2)CCCOC1	ZINC001363149075	893408038	/nfs/dbraw/zinc/40/80/38/893408038.db2.gz	HAPIYLQNSGATID-GFCCVEGCSA-N	0	2	278.268	-0.176	20	30		CBEDLN
CC(=O)N1CCN(c2[nH]c(=O)n(C)c(=O)c2C#N)[C@H](C)C1	ZINC001363724563	893942637	/nfs/dbraw/zinc/94/26/37/893942637.db2.gz	BQMNMSUCMVRYDC-MRVPVSSYSA-N	0	2	291.311	-0.998	20	30		CBEDLN
COCC[C@@](C)(O)CNc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001363744742	893959499	/nfs/dbraw/zinc/95/94/99/893959499.db2.gz	VGBUFJAGYDGPNA-GFCCVEGCSA-N	0	2	282.300	-0.855	20	30		CBEDLN
Cn1c(=O)[nH]c(N2C3CCC2(CO)CC3)c(C#N)c1=O	ZINC001363748587	893961854	/nfs/dbraw/zinc/96/18/54/893961854.db2.gz	IANFXNRHJUNHTC-UHFFFAOYSA-N	0	2	276.296	-0.561	20	30		CBEDLN
C[C@]1(C#N)CN(C(=O)C[C@H]2SC(=N)NC2=O)CCO1	ZINC001363764343	893973640	/nfs/dbraw/zinc/97/36/40/893973640.db2.gz	VDCHVFIXLZMEEW-HQJQHLMTSA-N	0	2	282.325	-0.316	20	30		CBEDLN
COC(=O)C1CCN(c2[nH]c(=O)n(C)c(=O)c2C#N)CC1	ZINC001364128490	894204522	/nfs/dbraw/zinc/20/45/22/894204522.db2.gz	NTBPNEHKRJWFHE-UHFFFAOYSA-N	0	2	292.295	-0.665	20	30		CBEDLN
Cn1c(=O)[nH]c(NCCc2ccccn2)c(C#N)c1=O	ZINC001364134858	894208749	/nfs/dbraw/zinc/20/87/49/894208749.db2.gz	KJGYIQSYDRZMBQ-UHFFFAOYSA-N	0	2	271.280	-0.005	20	30		CBEDLN
CCCCN(CC(N)=O)c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001364164770	894227856	/nfs/dbraw/zinc/22/78/56/894227856.db2.gz	AKTSVESIRAHTTP-UHFFFAOYSA-N	0	2	279.300	-0.963	20	30		CBEDLN
Cn1c(=O)[nH]c(N2CCC(C)(CO)CC2)c(C#N)c1=O	ZINC001364172833	894231029	/nfs/dbraw/zinc/23/10/29/894231029.db2.gz	PKVBCSUXCBSPLM-UHFFFAOYSA-N	0	2	278.312	-0.456	20	30		CBEDLN
Cn1c(=O)[nH]c(N[C@H]2CCC[C@@H]2CCO)c(C#N)c1=O	ZINC001364169663	894231248	/nfs/dbraw/zinc/23/12/48/894231248.db2.gz	LLUJZTDZVVAQPQ-SCZZXKLOSA-N	0	2	278.312	-0.092	20	30		CBEDLN
Cn1c(=O)[nH]c(N[C@@H]2CC(=O)N(C3CC3)C2)c(C#N)c1=O	ZINC001364187740	894237556	/nfs/dbraw/zinc/23/75/56/894237556.db2.gz	AYULHYFJXKFWMC-SSDOTTSWSA-N	0	2	289.295	-0.880	20	30		CBEDLN
Cn1c(=O)[nH]c(N[C@@H]2CCO[C@H]2C2CC2)c(C#N)c1=O	ZINC001364233019	894272201	/nfs/dbraw/zinc/27/22/01/894272201.db2.gz	WLYJBWYZOCHQBO-ZJUUUORDSA-N	0	2	276.296	-0.075	20	30		CBEDLN
CCOC[C@@H]1CN(c2[nH]c(=O)n(C)c(=O)c2C#N)CCO1	ZINC001364232831	894274250	/nfs/dbraw/zinc/27/42/50/894274250.db2.gz	REDRVLZAGLLPET-VIFPVBQESA-N	0	2	294.311	-0.813	20	30		CBEDLN
CO[C@@]1(CNc2[nH]c(=O)n(C)c(=O)c2C#N)CCOC1	ZINC001364559864	894492836	/nfs/dbraw/zinc/49/28/36/894492836.db2.gz	YGSFCSWSOOBBCX-GFCCVEGCSA-N	0	2	280.284	-0.837	20	30		CBEDLN
CNC(=O)[C@@H]1CCC[C@H]1Nc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001364556820	894493236	/nfs/dbraw/zinc/49/32/36/894493236.db2.gz	DYSVTKDIWMCQGM-VXNVDRBHSA-N	0	2	291.311	-0.728	20	30		CBEDLN
COC(=O)[C@@H]1CCCN1c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001364557758	894493538	/nfs/dbraw/zinc/49/35/38/894493538.db2.gz	WDPJPBQTFMYSIU-QMMMGPOBSA-N	0	2	278.268	-0.913	20	30		CBEDLN
CCOC(=O)[C@H](C)[C@@H](C)Nc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001364556559	894494599	/nfs/dbraw/zinc/49/45/99/894494599.db2.gz	OBDNUWGPKBLMSW-HTQZYQBOSA-N	0	2	294.311	-0.055	20	30		CBEDLN
Cn1c(=O)[nH]c(NCC(=O)N2CCCCC2)c(C#N)c1=O	ZINC001365213925	894821700	/nfs/dbraw/zinc/82/17/00/894821700.db2.gz	JSTXQKPQEWLZEH-UHFFFAOYSA-N	0	2	291.311	-0.630	20	30		CBEDLN
CC(C)OC(=O)[C@H](C)CNc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001365217467	894825833	/nfs/dbraw/zinc/82/58/33/894825833.db2.gz	PBTUFICUMGZULE-MRVPVSSYSA-N	0	2	294.311	-0.055	20	30		CBEDLN
CCO[C@@H]1C[C@@H](Nc2[nH]c(=O)n(C)c(=O)c2C#N)[C@@H]1OC	ZINC001365223884	894829724	/nfs/dbraw/zinc/82/97/24/894829724.db2.gz	JUSRQCZBMLWPDP-BBBLOLIVSA-N	0	2	294.311	-0.450	20	30		CBEDLN
Cn1c(=O)[nH]c(N2CC[C@](O)(C3CC3)C2)c(C#N)c1=O	ZINC001365224588	894831178	/nfs/dbraw/zinc/83/11/78/894831178.db2.gz	WXLWEOYYWUDIJW-CYBMUJFWSA-N	0	2	276.296	-0.704	20	30		CBEDLN
C[C@H](CO)[C@H]1CCCCN1c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001365228743	894834210	/nfs/dbraw/zinc/83/42/10/894834210.db2.gz	DQZVXJXJAFYNAR-MWLCHTKSSA-N	0	2	292.339	-0.067	20	30		CBEDLN
C[C@@H]1CCN(c2[nH]c(=O)n(C)c(=O)c2C#N)C[C@H](C)O1	ZINC001365238046	894837470	/nfs/dbraw/zinc/83/74/70/894837470.db2.gz	NLSQRGORGYQVOI-BDAKNGLRSA-N	0	2	278.312	-0.051	20	30		CBEDLN
Cn1c(=O)[nH]c(NC[C@H](O)c2cncs2)c(C#N)c1=O	ZINC001365239507	894841745	/nfs/dbraw/zinc/84/17/45/894841745.db2.gz	NNTJKRMPTWEYEF-ZETCQYMHSA-N	0	2	293.308	-0.453	20	30		CBEDLN
Cn1c(=O)[nH]c(N2CC[C@]3(CCOC3=O)C2)c(C#N)c1=O	ZINC001365247487	894845252	/nfs/dbraw/zinc/84/52/52/894845252.db2.gz	GGVQEPXVZGTKJN-ZDUSSCGKSA-N	0	2	290.279	-0.911	20	30		CBEDLN
C=CCCn1cc(C(=O)NCc2nc(O)cc(=O)[nH]2)nn1	ZINC001454187992	914177379	/nfs/dbraw/zinc/17/73/79/914177379.db2.gz	CEZGFQZLQSTRSP-UHFFFAOYSA-N	0	2	290.283	-0.015	20	30		CBEDLN
C=CCCn1cc(C(=O)NCC2=NC(=O)CC(=O)N2)nn1	ZINC001454187992	914177387	/nfs/dbraw/zinc/17/73/87/914177387.db2.gz	CEZGFQZLQSTRSP-UHFFFAOYSA-N	0	2	290.283	-0.015	20	30		CBEDLN
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC[N@@H+](C)[C@@H](CO)C1	ZINC001454664282	914241517	/nfs/dbraw/zinc/24/15/17/914241517.db2.gz	PTBIZGRSIHPTRZ-LLVKDONJSA-N	0	2	290.323	-0.284	20	30		CBEDLN
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC[N@H+](C)[C@@H](CO)C1	ZINC001454664282	914241533	/nfs/dbraw/zinc/24/15/33/914241533.db2.gz	PTBIZGRSIHPTRZ-LLVKDONJSA-N	0	2	290.323	-0.284	20	30		CBEDLN
Cn1c(=O)[nH]c(NCCOC[C@@H]2CCCO2)c(C#N)c1=O	ZINC001458198170	914631589	/nfs/dbraw/zinc/63/15/89/914631589.db2.gz	JQPJCUQTSPVUMS-VIFPVBQESA-N	0	2	294.311	-0.447	20	30		CBEDLN
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CCC(=O)N1CC[C@@H](Nc2[nH]c(=O)n(C)c(=O)c2C#N)C1	ZINC001412880455	904780200	/nfs/dbraw/zinc/78/02/00/904780200.db2.gz	NGZWVBOTSQJCOY-MRVPVSSYSA-N	0	2	291.311	-0.632	20	30		CBEDLN
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Cn1c(=O)[nH]c(N[C@@H]2CC[C@H](C(N)=O)C2)c(C#N)c1=O	ZINC001412887536	904785510	/nfs/dbraw/zinc/78/55/10/904785510.db2.gz	RCBGFIWCMOTHMM-NKWVEPMBSA-N	0	2	277.284	-0.989	20	30		CBEDLN
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C[C@@H](C#N)C(=O)NCc1nnc(CS(C)(=O)=O)[nH]1	ZINC001413673621	905166413	/nfs/dbraw/zinc/16/64/13/905166413.db2.gz	SQAWPQQSEWYKDV-LURJTMIESA-N	0	2	271.302	-0.875	20	30		CBEDLN
COc1ncccc1CNc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001413882300	905252931	/nfs/dbraw/zinc/25/29/31/905252931.db2.gz	YQYYGLMZGYUPQL-UHFFFAOYSA-N	0	2	287.279	-0.039	20	30		CBEDLN
COc1ncccc1C(=O)Cn1c(=O)[nH]cc(C#N)c1=O	ZINC001413927306	905275578	/nfs/dbraw/zinc/27/55/78/905275578.db2.gz	CRUBMUPCIJQAQW-UHFFFAOYSA-N	0	2	286.247	-0.305	20	30		CBEDLN
C[C@H](C#N)C(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[nH]2)C1	ZINC001417904076	906100423	/nfs/dbraw/zinc/10/04/23/906100423.db2.gz	FVCMDODGZBYRHI-RKDXNWHRSA-N	0	2	278.316	-0.249	20	30		CBEDLN
C[C@H](Cn1cccn1)Nc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001421046761	907407450	/nfs/dbraw/zinc/40/74/50/907407450.db2.gz	PMZHANHDLGYJER-MRVPVSSYSA-N	0	2	274.284	-0.358	20	30		CBEDLN
CN(c1[nH]c(=O)n(C)c(=O)c1C#N)C1CCC(CO)CC1	ZINC001421074799	907418422	/nfs/dbraw/zinc/41/84/22/907418422.db2.gz	AIEZYFQXKDAJNF-UHFFFAOYSA-N	0	2	292.339	-0.067	20	30		CBEDLN
C[C@H]1CCC[C@]1(O)CNc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001421125014	907438694	/nfs/dbraw/zinc/43/86/94/907438694.db2.gz	SADMQJHAARHPDW-SDBXPKJASA-N	0	2	278.312	-0.092	20	30		CBEDLN
Cn1c(=O)[nH]c(N2C[C@@H](O)CC(C)(C)C2)c(C#N)c1=O	ZINC001421217680	907468569	/nfs/dbraw/zinc/46/85/69/907468569.db2.gz	MPCYRJUICXDPDT-QMMMGPOBSA-N	0	2	278.312	-0.458	20	30		CBEDLN
C[C@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)[C@H](O)C(F)(F)F	ZINC001421215093	907469497	/nfs/dbraw/zinc/46/94/97/907469497.db2.gz	DYWZHJXUKCRJPP-NJGYIYPDSA-N	0	2	292.217	-0.331	20	30		CBEDLN
Cc1[nH+]c[nH]c1CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001433751928	909839931	/nfs/dbraw/zinc/83/99/31/909839931.db2.gz	LMTBFFYGTFFBPK-UHFFFAOYSA-N	0	2	288.267	-0.832	20	30		CBEDLN
CN(Cc1cccnc1)c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001434435470	910178059	/nfs/dbraw/zinc/17/80/59/910178059.db2.gz	YHPJGVFGBYNDFJ-UHFFFAOYSA-N	0	2	271.280	-0.023	20	30		CBEDLN
C#CCN(CC#N)C(=O)c1ccc(-n2[nH]c(=O)[nH]c2=O)cc1	ZINC001467389186	915208761	/nfs/dbraw/zinc/20/87/61/915208761.db2.gz	BNQXLJFPIMWNJE-UHFFFAOYSA-N	0	2	297.274	-0.135	20	30		CBEDLN
CCC[C@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)C(N)=O	ZINC001472779550	915765448	/nfs/dbraw/zinc/76/54/48/915765448.db2.gz	GNZZKIGMPMUEFQ-ZETCQYMHSA-N	0	2	265.273	-0.989	20	30		CBEDLN
CCN1C[C@@H](CNc2[nH]c(=O)n(C)c(=O)c2C#N)CC1=O	ZINC001472824119	915769005	/nfs/dbraw/zinc/76/90/05/915769005.db2.gz	AGMSIRVCDCYICO-MRVPVSSYSA-N	0	2	291.311	-0.774	20	30		CBEDLN
Cn1c(=O)[nH]c(NCCC[S@](C)=O)c(C#N)c1=O	ZINC001472883590	915777449	/nfs/dbraw/zinc/77/74/49/915777449.db2.gz	AGCPVYUCPGEFCS-SFHVURJKSA-N	0	2	270.314	-0.874	20	30		CBEDLN
O=C(NCC#CCO)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1	ZINC001479162405	916097740	/nfs/dbraw/zinc/09/77/40/916097740.db2.gz	WNENVLBOIVWNSF-SECBINFHSA-N	0	2	279.300	-0.605	20	30		CBEDLN
C=C[C@](C)(O)CC(=O)NC1CN(Cc2n[nH]c(=O)[nH]2)C1	ZINC001481555721	916879654	/nfs/dbraw/zinc/87/96/54/916879654.db2.gz	NAQQQTHJHHTCIU-LBPRGKRZSA-N	0	2	281.316	-0.862	20	30		CBEDLN
C#CCO[C@H](C)C(=O)NCC1CN(Cc2n[nH]c(=O)[nH]2)C1	ZINC001481625083	916919779	/nfs/dbraw/zinc/91/97/79/916919779.db2.gz	RUQHHFPFRFPYCC-SECBINFHSA-N	0	2	293.327	-0.903	20	30		CBEDLN
C#CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)c1[nH]nc(C)c1[O-]	ZINC001486332609	918437765	/nfs/dbraw/zinc/43/77/65/918437765.db2.gz	VJMHIIUQCVOQFJ-NSHDSACASA-N	0	2	294.355	-0.188	20	30		CBEDLN
C#CCC[N@H+](C)C[C@H](O)CN(C)C(=O)c1[nH]nc(C)c1[O-]	ZINC001486332609	918437771	/nfs/dbraw/zinc/43/77/71/918437771.db2.gz	VJMHIIUQCVOQFJ-NSHDSACASA-N	0	2	294.355	-0.188	20	30		CBEDLN
C=CCOCC(=O)NC[C@H]1CCN1Cc1n[nH]c(=O)[nH]1	ZINC001498946418	920666687	/nfs/dbraw/zinc/66/66/87/920666687.db2.gz	WJLNVXWZYRWZRW-SECBINFHSA-N	0	2	281.316	-0.597	20	30		CBEDLN
Cn1c(=O)[nH]c(N[C@@]2(C)CCOC2)c(C#N)c1=O	ZINC001515595236	922238682	/nfs/dbraw/zinc/23/86/82/922238682.db2.gz	NGVJYFNNJPBVCE-NSHDSACASA-N	0	2	250.258	-0.464	20	30		CBEDLN
C[C@@H](C#N)N(C)C(=O)Cn1[nH]cc2c(=O)ncnc1-2	ZINC001544669438	923310809	/nfs/dbraw/zinc/31/08/09/923310809.db2.gz	KOXWBIUOTTZHIL-ZETCQYMHSA-N	0	2	260.257	-0.558	20	30		CBEDLN
C=C(CO)C(=O)N1CCC(N2CCCNC2=O)CC1	ZINC001545980859	923329812	/nfs/dbraw/zinc/32/98/12/923329812.db2.gz	CATQNJDCJLVFDY-UHFFFAOYSA-N	0	2	267.329	-0.059	20	30		CBEDLN
C#CC[C@H](CO)NC(=O)c1ccc2c(c1)C(=O)NC2=O	ZINC001558991049	924208163	/nfs/dbraw/zinc/20/81/63/924208163.db2.gz	DLWIFMUNEFMPLA-SECBINFHSA-N	0	2	272.260	-0.316	20	30		CBEDLN
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CCn1ncc(C#N)c1NS(=O)(=O)[C@H](C)C(=O)N(C)C	ZINC000340633353	353180578	/nfs/dbraw/zinc/18/05/78/353180578.db2.gz	FUPUQKSWDRKDSF-MRVPVSSYSA-N	0	2	299.356	-0.007	20	30		CBEDLN
CN=c1[nH]nc(CC(=O)N=c2ccn(CCC#N)[nH]2)s1	ZINC000353489403	353532180	/nfs/dbraw/zinc/53/21/80/353532180.db2.gz	JEGIPUJADHXSJU-UHFFFAOYSA-N	0	2	291.340	-0.285	20	30		CBEDLN
C=C[C@H](CO)NC(=O)C(=O)N=c1nc(C(C)(C)C)[nH]s1	ZINC000354645558	353574296	/nfs/dbraw/zinc/57/42/96/353574296.db2.gz	DDBMEXIBPFNROA-SSDOTTSWSA-N	0	2	298.368	-0.141	20	30		CBEDLN
N#CCNC(=O)CNC(=O)c1cc([N+](=O)[O-])ccc1O	ZINC000436717395	354255847	/nfs/dbraw/zinc/25/58/47/354255847.db2.gz	WHTRFOAEBQDEBZ-UHFFFAOYSA-N	0	2	278.224	-0.330	20	30		CBEDLN
C[C@H]1CCCCN1C(=O)Cn1c(=O)[nH]cc(C#N)c1=O	ZINC000578131520	354938727	/nfs/dbraw/zinc/93/87/27/354938727.db2.gz	GBMXXEJLQRLJKE-VIFPVBQESA-N	0	2	276.296	-0.191	20	30		CBEDLN
C=C[C@@H](O)C(=O)N1CCC(c2n[nH]c(=O)[nH]2)CC1	ZINC000614260099	355947828	/nfs/dbraw/zinc/94/78/28/355947828.db2.gz	QOWLMBAIKPIZME-MRVPVSSYSA-N	0	2	252.274	-0.237	20	30		CBEDLN
C#C[C@@H](NC(=O)CSc1n[nH]c(=O)[nH]1)C(C)C	ZINC000281933784	220286800	/nfs/dbraw/zinc/28/68/00/220286800.db2.gz	HMQHUHAMHFSBJL-SSDOTTSWSA-N	0	2	254.315	-0.036	20	30		CBEDLN
C#C[C@H](NC(=O)CSc1n[nH]c(=O)[nH]1)C(C)C	ZINC000281933788	220287423	/nfs/dbraw/zinc/28/74/23/220287423.db2.gz	HMQHUHAMHFSBJL-ZETCQYMHSA-N	0	2	254.315	-0.036	20	30		CBEDLN
C#CC(C)(C)[N@@H+](C)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O	ZINC000286357717	220298689	/nfs/dbraw/zinc/29/86/89/220298689.db2.gz	YBHMUPRVOZGPRU-UHFFFAOYSA-N	0	2	292.339	-0.808	20	30		CBEDLN
C=C[C@@](C)(O)C(=O)Nc1nnc(NS(C)(=O)=O)s1	ZINC000666975575	544651635	/nfs/dbraw/zinc/65/16/35/544651635.db2.gz	SGICKXRIELSESZ-MRVPVSSYSA-N	0	2	292.342	-0.215	20	30		CBEDLN
Cc1cc(N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)c(C#N)c[nH+]1	ZINC000424466557	301340502	/nfs/dbraw/zinc/34/05/02/301340502.db2.gz	GTUUMOCUUNPYJL-LLVKDONJSA-N	0	2	295.320	-0.050	20	30		CBEDLN
N#Cc1c[nH]c(=O)n(CCOCC(F)(F)F)c1=O	ZINC000578532135	335646398	/nfs/dbraw/zinc/64/63/98/335646398.db2.gz	BVRJQCLQMXZONL-UHFFFAOYSA-N	0	2	263.175	-0.013	20	30		CBEDLN
CC#CC[C@H](CO)NC(=O)NCC(=O)NOCC	ZINC000845531396	583314975	/nfs/dbraw/zinc/31/49/75/583314975.db2.gz	AGZCOYKXMMITCM-SECBINFHSA-N	0	2	257.290	-0.872	20	30		CBEDLN
C[C@H](CC#N)N(C)C(=O)Cn1[nH]cc2c(=O)ncnc1-2	ZINC000730546022	582150795	/nfs/dbraw/zinc/15/07/95/582150795.db2.gz	MHEPPCDKJNFVIT-MRVPVSSYSA-N	0	2	274.284	-0.168	20	30		CBEDLN
NC(=O)CNC(=S)NN=Cc1ccc([N+](=O)[O-])c(O)c1	ZINC000731930203	582155798	/nfs/dbraw/zinc/15/57/98/582155798.db2.gz	USYJLXPHLKUKMB-UHFFFAOYSA-N	0	2	297.296	-0.416	20	30		CBEDLN
CC[C@@H](C#N)OC(=O)Cn1[nH]cc2c(=O)ncnc1-2	ZINC000753423627	582296933	/nfs/dbraw/zinc/29/69/33/582296933.db2.gz	CDZLSYVVIYVASU-ZETCQYMHSA-N	0	2	261.241	-0.083	20	30		CBEDLN
CC#CCCNC(=O)Cn1[nH]cc2c(=O)ncnc1-2	ZINC000756149517	582303289	/nfs/dbraw/zinc/30/32/89/582303289.db2.gz	ZYHPXJAZZYQQCT-UHFFFAOYSA-N	0	2	259.269	-0.399	20	30		CBEDLN
C=CC[C@@H](CO)NC(=O)C[C@H]1SC(=N)NC1=O	ZINC000756675928	582304106	/nfs/dbraw/zinc/30/41/06/582304106.db2.gz	IODQBOIPQFNABB-NKWVEPMBSA-N	0	2	257.315	-0.404	20	30		CBEDLN
C#CCCCC(=O)NS(=O)(=O)c1cc(C(N)=O)n(C)c1	ZINC000759395399	582310003	/nfs/dbraw/zinc/31/00/03/582310003.db2.gz	NRLCYLXBPVPWPZ-UHFFFAOYSA-N	0	2	297.336	-0.268	20	30		CBEDLN
C#C[C@H](NC(=O)C[C@@H]1SC(=N)NC1=O)[C@@H]1CCCO1	ZINC000775323257	582352298	/nfs/dbraw/zinc/35/22/98/582352298.db2.gz	CYRPCBBYNKMIOS-CIUDSAMLSA-N	0	2	281.337	-0.160	20	30		CBEDLN
C=CC[C@@H](CO)CNC(=O)C[C@H]1SC(=N)NC1=O	ZINC000775564410	582352880	/nfs/dbraw/zinc/35/28/80/582352880.db2.gz	ODZOQVOPDLNWJT-HTQZYQBOSA-N	0	2	271.342	-0.156	20	30		CBEDLN
C#C[C@H](CCC)NC(=O)Cn1[nH]cc2c(=O)ncnc1-2	ZINC000791739281	582393968	/nfs/dbraw/zinc/39/39/68/582393968.db2.gz	AIZUXUYVXQBJOM-SECBINFHSA-N	0	2	273.296	-0.011	20	30		CBEDLN
COc1ccc(CCNN=C2C(=O)NC(=O)NC2=O)cc1	ZINC000814223487	582456062	/nfs/dbraw/zinc/45/60/62/582456062.db2.gz	VTMYRZNYPJAXJY-UHFFFAOYSA-N	0	2	290.279	-0.451	20	30		CBEDLN
O=C(N[C@H]1CCN(O)C1=O)[C@H]1CCCc2[nH]ncc21	ZINC000816695713	582480654	/nfs/dbraw/zinc/48/06/54/582480654.db2.gz	JNBHMVNOFACKQD-XVKPBYJWSA-N	0	2	264.285	-0.064	20	30		CBEDLN
C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820095591	582551840	/nfs/dbraw/zinc/55/18/40/582551840.db2.gz	JCPKLKTVOJSCTB-GXFFZTMASA-N	0	2	283.328	-0.172	20	30		CBEDLN
C[N@@H+]1CCO[C@H](CNC(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC000820626059	582577093	/nfs/dbraw/zinc/57/70/93/582577093.db2.gz	HNBAJLSEPVUHKN-BXKDBHETSA-N	0	2	269.301	-0.562	20	30		CBEDLN
C[N@H+]1CCO[C@H](CNC(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC000820626059	582577096	/nfs/dbraw/zinc/57/70/96/582577096.db2.gz	HNBAJLSEPVUHKN-BXKDBHETSA-N	0	2	269.301	-0.562	20	30		CBEDLN
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C=CCOCC(=O)N[C@@]1(C)CC[N@@H+](Cc2n[nH]c(=O)[n-]2)C1	ZINC001270556195	827577631	/nfs/dbraw/zinc/57/76/31/827577631.db2.gz	BKHLOKWBNZGBKM-ZDUSSCGKSA-N	0	2	295.343	-0.207	20	30		CBEDLN
C[C@H]1C[C@H](Nc2[nH]c(=O)n(C)c(=O)c2C#N)CCO1	ZINC001348072817	890558239	/nfs/dbraw/zinc/55/82/39/890558239.db2.gz	FRIJAJLGAQVEJX-JGVFFNPUSA-N	0	2	264.285	-0.075	20	30		CBEDLN
Cc1cc(C#N)cnc1C(=O)NN1CC(=O)NC1=O	ZINC001326427959	885025154	/nfs/dbraw/zinc/02/51/54/885025154.db2.gz	WGRYIFQOJGFUKZ-UHFFFAOYSA-N	0	2	259.225	-0.542	20	30		CBEDLN
C=CCOC[C@H]1NC(=O)N(Cc2nnc(COC)[nH]2)C1=O	ZINC001330128248	886363860	/nfs/dbraw/zinc/36/38/60/886363860.db2.gz	MKBUWABBCKYZRS-MRVPVSSYSA-N	0	2	295.299	-0.426	20	30		CBEDLN
COC[C@](C)(C#N)NC(=O)Cn1[nH]cc2c(=O)ncnc1-2	ZINC001334169945	887885942	/nfs/dbraw/zinc/88/59/42/887885942.db2.gz	BBTDPYQSLHXGRX-LBPRGKRZSA-N	0	2	290.283	-0.884	20	30		CBEDLN
C[NH+]1CCC(C#N)(NC(=O)C2C[NH+]([C@@H]3CCOC3)C2)CC1	ZINC001334733791	888305142	/nfs/dbraw/zinc/30/51/42/888305142.db2.gz	AACASAVEFBEJJD-CYBMUJFWSA-N	0	2	292.383	-0.189	20	30		CBEDLN
Cn1c(=O)[nH]c(N[C@@H]2CCSC2)c(C#N)c1=O	ZINC001336526446	888786585	/nfs/dbraw/zinc/78/65/85/888786585.db2.gz	CFUWLVASATUUET-ZCFIWIBFSA-N	0	2	252.299	-0.137	20	30		CBEDLN
COC[C@@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)C1CC1	ZINC001336554789	888795008	/nfs/dbraw/zinc/79/50/08/888795008.db2.gz	CFJSDYWDGCUAEZ-SECBINFHSA-N	0	2	264.285	-0.218	20	30		CBEDLN
C[C@@H]1COCC[C@@H]1Nc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001336595624	888809804	/nfs/dbraw/zinc/80/98/04/888809804.db2.gz	JXKXCOLEMQJHDY-APPZFPTMSA-N	0	2	264.285	-0.218	20	30		CBEDLN
C[C@H]1COCC[C@@H]1Nc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001336595626	888809903	/nfs/dbraw/zinc/80/99/03/888809903.db2.gz	JXKXCOLEMQJHDY-CBAPKCEASA-N	0	2	264.285	-0.218	20	30		CBEDLN
CO[C@H]1CCCN(c2[nH]c(=O)n(C)c(=O)c2C#N)C1	ZINC001337027539	888950977	/nfs/dbraw/zinc/95/09/77/888950977.db2.gz	SMHRKRYRMCSLIG-QMMMGPOBSA-N	0	2	264.285	-0.440	20	30		CBEDLN
Cn1c(=O)[nH]c(NCCOCC(F)F)c(C#N)c1=O	ZINC001337959406	889102197	/nfs/dbraw/zinc/10/21/97/889102197.db2.gz	RBBASPJWLSRFRP-UHFFFAOYSA-N	0	2	274.227	-0.361	20	30		CBEDLN
CO[C@H](C)[C@@H](C)Nc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001339731241	889312752	/nfs/dbraw/zinc/31/27/52/889312752.db2.gz	WTOYBOKJQJANBN-RNFRBKRXSA-N	0	2	252.274	-0.219	20	30		CBEDLN
COCC1(CNc2[nH]c(=O)n(C)c(=O)c2C#N)CC1	ZINC001339757055	889317145	/nfs/dbraw/zinc/31/71/45/889317145.db2.gz	QMCADJIBEFASEM-UHFFFAOYSA-N	0	2	264.285	-0.216	20	30		CBEDLN
C#C[C@@H]1CCCCN1c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001339844051	889330128	/nfs/dbraw/zinc/33/01/28/889330128.db2.gz	XQKFBZIVFADFHL-SECBINFHSA-N	0	2	258.281	-0.063	20	30		CBEDLN
COC[C@H](OC)C(=O)C(C#N)=C([O-])c1[nH+]ccn1C	ZINC001342709650	889818124	/nfs/dbraw/zinc/81/81/24/889818124.db2.gz	KFLZZPQJLBGFHH-BDAKNGLRSA-N	0	2	265.269	-0.027	20	30		CBEDLN
Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)[C@H]1CCN(C)C1=O	ZINC001343348553	889892932	/nfs/dbraw/zinc/89/29/32/889892932.db2.gz	FHXSDHGMJVCAKA-BDAKNGLRSA-N	0	2	274.280	-0.210	20	30		CBEDLN
Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)[C@H]1CCN(C)C1=O	ZINC001343348599	889894442	/nfs/dbraw/zinc/89/44/42/889894442.db2.gz	FHXSDHGMJVCAKA-RKDXNWHRSA-N	0	2	274.280	-0.210	20	30		CBEDLN
C=CC[C@H](CO)NC(=O)Cn1[nH]cc2c(=O)ncnc1-2	ZINC001344547837	890039947	/nfs/dbraw/zinc/03/99/47/890039947.db2.gz	DOLDVKYHSAXVCK-MRVPVSSYSA-N	0	2	277.284	-0.876	20	30		CBEDLN
COCC[C@@H](COC)Nc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001363150916	893410965	/nfs/dbraw/zinc/41/09/65/893410965.db2.gz	APSQFNAHAWUYEW-QMMMGPOBSA-N	0	2	282.300	-0.591	20	30		CBEDLN
Cn1c(=O)[nH]c(N[C@H](CO)[C@@H]2CCCOC2)c(C#N)c1=O	ZINC001363150735	893411140	/nfs/dbraw/zinc/41/11/40/893411140.db2.gz	HGVFDLVRCYFITM-PSASIEDQSA-N	0	2	294.311	-0.855	20	30		CBEDLN
Cn1c(=O)[nH]c(N2CC[C@H](C(C)(C)O)C2)c(C#N)c1=O	ZINC001363156345	893413207	/nfs/dbraw/zinc/41/32/07/893413207.db2.gz	MRBZKSBMWMTOPG-QMMMGPOBSA-N	0	2	278.312	-0.458	20	30		CBEDLN
CCN1CCC[C@@H](Nc2[nH]c(=O)n(C)c(=O)c2C#N)C1=O	ZINC001363162726	893421070	/nfs/dbraw/zinc/42/10/70/893421070.db2.gz	OFNLJDOOOBAHPK-SECBINFHSA-N	0	2	291.311	-0.632	20	30		CBEDLN
N#Cc1ccc(C(=O)NC[C@]2(CO)COCCN2)cc1O	ZINC001363600610	893838123	/nfs/dbraw/zinc/83/81/23/893838123.db2.gz	PSNVKAQRYAHCJP-AWEZNQCLSA-N	0	2	291.307	-0.655	20	30		CBEDLN
CC[C@@H](CNc1[nH]c(=O)n(C)c(=O)c1C#N)C(=O)OC	ZINC001363731661	893945329	/nfs/dbraw/zinc/94/53/29/893945329.db2.gz	RFPHOQMSYUASHB-ZETCQYMHSA-N	0	2	280.284	-0.444	20	30		CBEDLN
Cc1noc(C2CN(c3[nH]c(=O)n(C)c(=O)c3C#N)C2)n1	ZINC001363737643	893951152	/nfs/dbraw/zinc/95/11/52/893951152.db2.gz	VNVJTSRTOGTCPA-UHFFFAOYSA-N	0	2	288.267	-0.760	20	30		CBEDLN
CC(C)OC[C@@H](CO)N(C)c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001363736606	893951792	/nfs/dbraw/zinc/95/17/92/893951792.db2.gz	RLTLNDNLZYNWJU-SECBINFHSA-N	0	2	296.327	-0.833	20	30		CBEDLN
Cn1c(=O)[nH]c(NCc2nc(C(F)F)no2)c(C#N)c1=O	ZINC001363734499	893952562	/nfs/dbraw/zinc/95/25/62/893952562.db2.gz	XVVNYMGLRBUQBI-UHFFFAOYSA-N	0	2	298.209	-0.122	20	30		CBEDLN
CC(C)OC(=O)CCNc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001363738981	893954027	/nfs/dbraw/zinc/95/40/27/893954027.db2.gz	RBMYMSSUOFOOEN-UHFFFAOYSA-N	0	2	280.284	-0.301	20	30		CBEDLN
Cn1c(=O)[nH]c(N2CCCC[C@@H]2CCO)c(C#N)c1=O	ZINC001363738837	893956187	/nfs/dbraw/zinc/95/61/87/893956187.db2.gz	PKZYSWWLNQUSNG-SECBINFHSA-N	0	2	278.312	-0.313	20	30		CBEDLN
C[C@@]1(C#N)CN(C(=O)C[C@H]2SC(=N)NC2=O)CCO1	ZINC001363764347	893973450	/nfs/dbraw/zinc/97/34/50/893973450.db2.gz	VDCHVFIXLZMEEW-RDDDGLTNSA-N	0	2	282.325	-0.316	20	30		CBEDLN
COC(=O)[C@@]1(NS(=O)(=O)CC(C)(C)C#N)CCOC1	ZINC001363956148	894114903	/nfs/dbraw/zinc/11/49/03/894114903.db2.gz	STYAGAFANLWHOE-LLVKDONJSA-N	0	2	290.341	-0.212	20	30		CBEDLN
C[C@H](CC[S@](C)=O)Nc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001364153364	894217928	/nfs/dbraw/zinc/21/79/28/894217928.db2.gz	XKBIMZLESPNKPP-XJZHNMMOSA-N	0	2	284.341	-0.486	20	30		CBEDLN
COC(=O)C[C@H]1CCCN1c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001364171365	894229267	/nfs/dbraw/zinc/22/92/67/894229267.db2.gz	MMQUPZYPQGIOBO-MRVPVSSYSA-N	0	2	292.295	-0.523	20	30		CBEDLN
Cn1c(=O)[nH]c(NCc2ccnc(C#N)c2)c(C#N)c1=O	ZINC001364181751	894235871	/nfs/dbraw/zinc/23/58/71/894235871.db2.gz	SAPUTRATVJLETN-UHFFFAOYSA-N	0	2	282.263	-0.176	20	30		CBEDLN
C[C@@H](CNc1[nH]c(=O)n(C)c(=O)c1C#N)c1nncn1C	ZINC001364182783	894237300	/nfs/dbraw/zinc/23/73/00/894237300.db2.gz	KVFNZGJGDKTUBH-ZETCQYMHSA-N	0	2	289.299	-0.711	20	30		CBEDLN
C[C@H](C[S@@](C)=O)Nc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001364182027	894238660	/nfs/dbraw/zinc/23/86/60/894238660.db2.gz	KFVUHMZOBIAJQS-FWCARGHBSA-N	0	2	270.314	-0.876	20	30		CBEDLN
Cn1c(=O)[nH]c(NC[C@@H]2COC(C)(C)O2)c(C#N)c1=O	ZINC001364201613	894248405	/nfs/dbraw/zinc/24/84/05/894248405.db2.gz	WUMQEFWPUVKUMN-SSDOTTSWSA-N	0	2	280.284	-0.491	20	30		CBEDLN
CS(=O)(=O)Cc1nnc(CNc2nccnc2C#N)[nH]1	ZINC001364249415	894284586	/nfs/dbraw/zinc/28/45/86/894284586.db2.gz	SFHLABBYLZUAJG-UHFFFAOYSA-N	0	2	293.312	-0.377	20	30		CBEDLN
COc1ccc(CNc2[nH]c(=O)n(C)c(=O)c2C#N)nn1	ZINC001364557607	894492590	/nfs/dbraw/zinc/49/25/90/894492590.db2.gz	VIHHFUHJRRQBNL-UHFFFAOYSA-N	0	2	288.267	-0.644	20	30		CBEDLN
CNC(=O)c1ccc(Cn2c(=O)[nH]cc(C#N)c2=O)cc1	ZINC001364614458	894524211	/nfs/dbraw/zinc/52/42/11/894524211.db2.gz	DHMPUQHVBJIZOI-UHFFFAOYSA-N	0	2	284.275	-0.184	20	30		CBEDLN
COc1cc(C#N)ccc1S(=O)(=O)Nc1nnn(C)n1	ZINC001364950962	894697314	/nfs/dbraw/zinc/69/73/14/894697314.db2.gz	LQPCEVNHRIHNAL-UHFFFAOYSA-N	0	2	294.296	-0.109	20	30		CBEDLN
Cn1c(=O)[nH]c(NCc2nncn2C2CC2)c(C#N)c1=O	ZINC001365213937	894823520	/nfs/dbraw/zinc/82/35/20/894823520.db2.gz	JYCRBERZXAJTAL-UHFFFAOYSA-N	0	2	287.283	-0.516	20	30		CBEDLN
CCC[C@@H]1C(=O)NCCN1c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001365221409	894825994	/nfs/dbraw/zinc/82/59/94/894825994.db2.gz	BTXUWCFDZNCMQM-SECBINFHSA-N	0	2	291.311	-0.950	20	30		CBEDLN
COC(=O)C(C)(C)CCNc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001365227886	894830064	/nfs/dbraw/zinc/83/00/64/894830064.db2.gz	VJTNLIZWDNKNIP-UHFFFAOYSA-N	0	2	294.311	-0.054	20	30		CBEDLN
Cn1c(=O)[nH]c(N[C@@H]2CCCC23OCCO3)c(C#N)c1=O	ZINC001365238127	894837689	/nfs/dbraw/zinc/83/76/89/894837689.db2.gz	NUGRDYFVIGJEGI-SECBINFHSA-N	0	2	292.295	-0.347	20	30		CBEDLN
COC(=O)CCN(CC#N)C(=O)C[C@@H]1SC(=N)NC1=O	ZINC001454929992	914269711	/nfs/dbraw/zinc/26/97/11/914269711.db2.gz	NMMIVNSOZSFUMZ-ZETCQYMHSA-N	0	2	298.324	-0.542	20	30		CBEDLN
C=CCC[C@@H](CO)Nc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001458368441	914646146	/nfs/dbraw/zinc/64/61/46/914646146.db2.gz	FHZGNMUJCSJIOP-QMMMGPOBSA-N	0	2	264.285	-0.316	20	30		CBEDLN
C[C@H](CCCCO)Nc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001458402097	914651269	/nfs/dbraw/zinc/65/12/69/914651269.db2.gz	WMXLIBOAHROTEV-MRVPVSSYSA-N	0	2	266.301	-0.092	20	30		CBEDLN
Cn1c(=O)[nH]c(NC2CC(CC(N)=O)C2)c(C#N)c1=O	ZINC001458578934	914661071	/nfs/dbraw/zinc/66/10/71/914661071.db2.gz	PVWWVFRKXFMWKF-UHFFFAOYSA-N	0	2	277.284	-0.989	20	30		CBEDLN
Cn1nccc1C(=O)Cn1c(=O)[nH]cc(C#N)c1=O	ZINC001459136127	914704666	/nfs/dbraw/zinc/70/46/66/914704666.db2.gz	GQMDURSDJKJIIU-UHFFFAOYSA-N	0	2	259.225	-0.975	20	30		CBEDLN
Cc1cc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)cc[nH+]1	ZINC001411797552	904362827	/nfs/dbraw/zinc/36/28/27/904362827.db2.gz	ZIXMGADIPFWTQS-UHFFFAOYSA-N	0	2	285.263	-0.415	20	30		CBEDLN
Cc1c(C(=O)NCc2n[nH]c(=O)[nH]2)cnn1CCC#N	ZINC001411877648	904377271	/nfs/dbraw/zinc/37/72/71/904377271.db2.gz	AYWLLQUZUGQLLU-UHFFFAOYSA-N	0	2	275.272	-0.141	20	30		CBEDLN
CCCN(CC(=O)N(C)C)c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001412875836	904778389	/nfs/dbraw/zinc/77/83/89/904778389.db2.gz	VOJSMEIXMQCLSD-UHFFFAOYSA-N	0	2	293.327	-0.750	20	30		CBEDLN
Cn1c(=O)[nH]c(N2CCC[C@H]2C(C)(C)O)c(C#N)c1=O	ZINC001412885166	904782467	/nfs/dbraw/zinc/78/24/67/904782467.db2.gz	ULBVKOLRYIDJSC-VIFPVBQESA-N	0	2	278.312	-0.315	20	30		CBEDLN
Cc1nc([C@H](C)Nc2[nH]c(=O)n(C)c(=O)c2C#N)no1	ZINC001413885404	905257164	/nfs/dbraw/zinc/25/71/64/905257164.db2.gz	SFABTVPYWXYRDW-YFKPBYRVSA-N	0	2	276.256	-0.190	20	30		CBEDLN
C[C@@H]1C[C@H](CO)CN(c2[nH]c(=O)n(C)c(=O)c2C#N)C1	ZINC001413892610	905260297	/nfs/dbraw/zinc/26/02/97/905260297.db2.gz	JTCQNKVIKQHXEQ-BDAKNGLRSA-N	0	2	278.312	-0.600	20	30		CBEDLN
C[C@H]1CCN(c2[nH]c(=O)n(C)c(=O)c2C#N)C[C@H]1CO	ZINC001413901049	905264214	/nfs/dbraw/zinc/26/42/14/905264214.db2.gz	PVFJLFHIYZORHO-IUCAKERBSA-N	0	2	278.312	-0.600	20	30		CBEDLN
COC(=O)[C@@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)C(C)(C)C	ZINC001413899896	905265008	/nfs/dbraw/zinc/26/50/08/905265008.db2.gz	MINYXWITDVNHLA-MRVPVSSYSA-N	0	2	294.311	-0.055	20	30		CBEDLN
CCn1nncc1CNc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001413902134	905265656	/nfs/dbraw/zinc/26/56/56/905265656.db2.gz	VATAMSIJBSVOSM-UHFFFAOYSA-N	0	2	275.272	-0.831	20	30		CBEDLN
Cc1cc(NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)cc[nH+]1	ZINC001417643761	905956214	/nfs/dbraw/zinc/95/62/14/905956214.db2.gz	FSTHWVHJPHHDDZ-UHFFFAOYSA-N	0	2	299.290	-0.025	20	30		CBEDLN
C[C@@H](C#N)C(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[nH]2)C1	ZINC001417904075	906102002	/nfs/dbraw/zinc/10/20/02/906102002.db2.gz	FVCMDODGZBYRHI-IUCAKERBSA-N	0	2	278.316	-0.249	20	30		CBEDLN
Cn1c(=O)[nH]c(N2C[C@H]3CCC[C@@H](C2)C3O)c(C#N)c1=O	ZINC001421077848	907419178	/nfs/dbraw/zinc/41/91/78/907419178.db2.gz	AJOCBLNZKFCVGC-SLHIUPAKSA-N	0	2	290.323	-0.458	20	30		CBEDLN
C[C@@H]1CCCN(c2[nH]c(=O)n(C)c(=O)c2C#N)[C@@H]1CCO	ZINC001421191148	907457171	/nfs/dbraw/zinc/45/71/71/907457171.db2.gz	ODOMNRBJUCJMDN-MWLCHTKSSA-N	0	2	292.339	-0.067	20	30		CBEDLN
Cc1noc([C@H](C)N(C)c2[nH]c(=O)n(C)c(=O)c2C#N)n1	ZINC001434449519	910193370	/nfs/dbraw/zinc/19/33/70/910193370.db2.gz	YBPDXIGXBGTZCW-LURJTMIESA-N	0	2	290.283	-0.166	20	30		CBEDLN
Cc1nnc([C@@H](C)Nc2[nH]c(=O)n(C)c(=O)c2C#N)o1	ZINC001472727328	915759203	/nfs/dbraw/zinc/75/92/03/915759203.db2.gz	VXXCWQBPTHUDLD-RXMQYKEDSA-N	0	2	276.256	-0.190	20	30		CBEDLN
Cn1c(=O)[nH]c(N[C@@H](CCO)C2CC2)c(C#N)c1=O	ZINC001472702438	915760928	/nfs/dbraw/zinc/76/09/28/915760928.db2.gz	CKSZVEABGMJIGS-VIFPVBQESA-N	0	2	264.285	-0.482	20	30		CBEDLN
C[C@@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)c1cnn(C)c1	ZINC001472702896	915761492	/nfs/dbraw/zinc/76/14/92/915761492.db2.gz	GGJMMNYQFRLQGK-SSDOTTSWSA-N	0	2	274.284	-0.148	20	30		CBEDLN
Cn1c(=O)[nH]c(NCc2cccnn2)c(C#N)c1=O	ZINC001472770213	915766196	/nfs/dbraw/zinc/76/61/96/915766196.db2.gz	GHDPYNOTJPFVOU-UHFFFAOYSA-N	0	2	258.241	-0.653	20	30		CBEDLN
CC(C)C[C@@H](CO)Nc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001472825618	915769380	/nfs/dbraw/zinc/76/93/80/915769380.db2.gz	PPARPHOUZPIJAT-QMMMGPOBSA-N	0	2	266.301	-0.236	20	30		CBEDLN
Cn1c(=O)[nH]c(N2CCC[C@@H](CO)CC2)c(C#N)c1=O	ZINC001472794855	915769505	/nfs/dbraw/zinc/76/95/05/915769505.db2.gz	ZIYFRKPMSPCZDP-SECBINFHSA-N	0	2	278.312	-0.456	20	30		CBEDLN
CC[C@H](C[C@@H](C)O)Nc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001472859363	915773800	/nfs/dbraw/zinc/77/38/00/915773800.db2.gz	XJQVUSVEARRWEK-HTQZYQBOSA-N	0	2	266.301	-0.093	20	30		CBEDLN
Cn1c(=O)[nH]c(NCC2(n3cccn3)CC2)c(C#N)c1=O	ZINC001472889310	915775816	/nfs/dbraw/zinc/77/58/16/915775816.db2.gz	VDTNAKVHLIQWGI-UHFFFAOYSA-N	0	2	286.295	-0.257	20	30		CBEDLN
Cc1conc1CNc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001472875225	915776263	/nfs/dbraw/zinc/77/62/63/915776263.db2.gz	IMEUROLLRRNHGM-UHFFFAOYSA-N	0	2	261.241	-0.146	20	30		CBEDLN
C=CCCOCC(=O)NC1CN(Cc2n[nH]c(=O)[nH]2)C1	ZINC001481606852	916908623	/nfs/dbraw/zinc/90/86/23/916908623.db2.gz	BCFQHOLSGVVXHG-UHFFFAOYSA-N	0	2	281.316	-0.597	20	30		CBEDLN
C[C@@H](C#N)C(=O)NCC1CN(Cc2n[nH]c(=O)[nH]2)C1	ZINC001494539186	919727772	/nfs/dbraw/zinc/72/77/72/919727772.db2.gz	SNYKDNHQDAPALX-ZETCQYMHSA-N	0	2	264.289	-0.782	20	30		CBEDLN
CC[C@@H]1OCC[C@H]1Nc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001515833141	922244873	/nfs/dbraw/zinc/24/48/73/922244873.db2.gz	YHKLUVXABGGGNV-BDAKNGLRSA-N	0	2	264.285	-0.075	20	30		CBEDLN
Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)[C@@H]1CCNC(=O)C1	ZINC001524704530	922648197	/nfs/dbraw/zinc/64/81/97/922648197.db2.gz	LWKLREUOIKHECB-BDAKNGLRSA-N	0	2	274.280	-0.162	20	30		CBEDLN
C=C(CCC(=O)OC)C(=O)N[C@H]1CCC(=O)NC1=O	ZINC001545937308	923329470	/nfs/dbraw/zinc/32/94/70/923329470.db2.gz	JXKJTOMKNRZWCG-QMMMGPOBSA-N	0	2	268.269	-0.583	20	30		CBEDLN
CC[C@H](CO)N1CCN(C(=O)C#CCOC)CC1	ZINC001545911391	923331409	/nfs/dbraw/zinc/33/14/09/923331409.db2.gz	DQBOHFLBNVKYKI-GFCCVEGCSA-N	0	2	254.330	-0.449	20	30		CBEDLN
COCC#CC(=O)N[C@H](Cn1ccnc1)C(=O)OC	ZINC001558969418	924209375	/nfs/dbraw/zinc/20/93/75/924209375.db2.gz	FLVODOLHMHQZDB-SNVBAGLBSA-N	0	2	265.269	-0.809	20	30		CBEDLN
Cn1c(=O)[n-]c(NCCn2cc[nH+]c2)c(C#N)c1=O	ZINC001559050896	924210623	/nfs/dbraw/zinc/21/06/23/924210623.db2.gz	BJNQGEFMBQOLLS-UHFFFAOYSA-N	0	2	260.257	-0.746	20	30		CBEDLN
O=C(NC1=NC(=O)CN1)c1ccc2c(c1)NC(=O)CO2	ZINC000056214104	351547315	/nfs/dbraw/zinc/54/73/15/351547315.db2.gz	QDSLUTPIQSMXPC-UHFFFAOYSA-N	0	2	274.236	-0.192	20	30		CBEDLN
C[C@H](C#N)CN(C)C(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1	ZINC000148090026	351929044	/nfs/dbraw/zinc/92/90/44/351929044.db2.gz	PJEYXAGIIGHITM-SSDOTTSWSA-N	0	2	287.279	-0.157	20	30		CBEDLN
COC(=O)N(C)CC(=O)Nc1nc(C#N)c(C#N)[nH]1	ZINC000299275993	352721088	/nfs/dbraw/zinc/72/10/88/352721088.db2.gz	XDJVLSLMXYKNNR-UHFFFAOYSA-N	0	2	262.229	-0.210	20	30		CBEDLN
Cn1cccc(N=C([O-])N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)c1=O	ZINC000329947974	352800573	/nfs/dbraw/zinc/80/05/73/352800573.db2.gz	YRPHXPLRUMTNBW-RYUDHWBXSA-N	0	2	292.339	-0.054	20	30		CBEDLN
Cn1cccc(N=C([O-])N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)c1=O	ZINC000329947974	352800575	/nfs/dbraw/zinc/80/05/75/352800575.db2.gz	YRPHXPLRUMTNBW-RYUDHWBXSA-N	0	2	292.339	-0.054	20	30		CBEDLN
N#CCNC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(O)c1	ZINC000343543714	353278379	/nfs/dbraw/zinc/27/83/79/353278379.db2.gz	JHBVUDAXTQYCPW-UHFFFAOYSA-N	0	2	278.224	-0.330	20	30		CBEDLN
C=C[C@@](C)(O)CC(=O)NCCCc1n[nH]c(=O)[nH]1	ZINC000354956513	353584205	/nfs/dbraw/zinc/58/42/05/353584205.db2.gz	DJFKITMPOZCTEA-LLVKDONJSA-N	0	2	254.290	-0.114	20	30		CBEDLN
C=C[C@H](CO)NC(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1	ZINC000356855760	353599940	/nfs/dbraw/zinc/59/99/40/353599940.db2.gz	BGLDASUYSSMSLS-SSDOTTSWSA-N	0	2	276.252	-0.287	20	30		CBEDLN
CC(C)[C@@](C)(C#N)NC(=O)Cn1c(=O)[nH]cc(C#N)c1=O	ZINC000572482231	354892500	/nfs/dbraw/zinc/89/25/00/354892500.db2.gz	HNDJJSCWKQSQNL-CYBMUJFWSA-N	0	2	289.295	-0.537	20	30		CBEDLN
C[C@H]1CN(Cc2n[nH]c(=O)[nH]2)C[C@H](C)N1CC#N	ZINC000602856030	355676356	/nfs/dbraw/zinc/67/63/56/355676356.db2.gz	YBBARFCTCFXQIF-IUCAKERBSA-N	0	2	250.306	-0.072	20	30		CBEDLN
C=CCNC(=O)CNC(=O)c1c[nH]c2c(cnn2C)c1=O	ZINC000119490843	220204395	/nfs/dbraw/zinc/20/43/95/220204395.db2.gz	UEUVXGQQNCIGKL-UHFFFAOYSA-N	0	2	289.295	-0.294	20	30		CBEDLN
CN(CC(C)(CO)CO)C([O-])=[NH+]c1cccn(C)c1=O	ZINC000330714588	220362362	/nfs/dbraw/zinc/36/23/62/220362362.db2.gz	XRSYNEODFOLYIU-UHFFFAOYSA-N	0	2	283.328	-0.147	20	30		CBEDLN
CC#CC[C@H](CO)NC(=O)CSc1n[nH]c(=O)[nH]1	ZINC000649183392	419848414	/nfs/dbraw/zinc/84/84/14/419848414.db2.gz	RVIGTSDGZCCXDB-SSDOTTSWSA-N	0	2	270.314	-0.507	20	30		CBEDLN
C=CCOCCNC(=O)CSc1n[nH]c(=O)[nH]1	ZINC000673059699	544868002	/nfs/dbraw/zinc/86/80/02/544868002.db2.gz	WJXOEEDBQONVHC-UHFFFAOYSA-N	0	2	258.303	-0.079	20	30		CBEDLN
C=CCn1c(=O)[nH]nc1SCc1n[nH]c(=O)[nH]1	ZINC000092870384	328503609	/nfs/dbraw/zinc/50/36/09/328503609.db2.gz	XTWZLSMCBONUTH-UHFFFAOYSA-N	0	2	254.275	-0.539	20	30		CBEDLN
N#Cc1ncn(CCNC(=O)c2cccc3[nH]nnc32)n1	ZINC000553502949	334388900	/nfs/dbraw/zinc/38/89/00/334388900.db2.gz	BVJFVJOQMNXYHP-UHFFFAOYSA-N	0	2	282.267	-0.149	20	30		CBEDLN
CCN(C[C@H](C)C#N)C(=O)Cn1c(=O)[nH]cc(C#N)c1=O	ZINC000565716397	334590855	/nfs/dbraw/zinc/59/08/55/334590855.db2.gz	QUDUUNNWACWTCB-SECBINFHSA-N	0	2	289.295	-0.584	20	30		CBEDLN
CCN(CCC#N)C(=O)Cn1c(=O)[nH]cc(C#N)c1=O	ZINC000573000854	334899771	/nfs/dbraw/zinc/89/97/71/334899771.db2.gz	VNIRJRNRAUTEJW-UHFFFAOYSA-N	0	2	275.268	-0.830	20	30		CBEDLN
C#CC[N@@H+](CCCC(=O)[O-])[C@@H]1CCS(=O)(=O)C1	ZINC000736078591	582195294	/nfs/dbraw/zinc/19/52/94/582195294.db2.gz	CBSDTNILGMZWPZ-SNVBAGLBSA-N	0	2	259.327	-0.027	20	30		CBEDLN
C#CC[N@H+](CCCC(=O)[O-])[C@@H]1CCS(=O)(=O)C1	ZINC000736078591	582195295	/nfs/dbraw/zinc/19/52/95/582195295.db2.gz	CBSDTNILGMZWPZ-SNVBAGLBSA-N	0	2	259.327	-0.027	20	30		CBEDLN
CCONC(=O)CNC(=O)N1CCC(C#N)CC1	ZINC000845533644	583315589	/nfs/dbraw/zinc/31/55/89/583315589.db2.gz	GKNHHYPEWXRVRV-UHFFFAOYSA-N	0	2	254.290	-0.001	20	30		CBEDLN
CCC[C@H](C#N)NC(=O)Cn1[nH]cc2c(=O)ncnc1-2	ZINC000730543139	582150744	/nfs/dbraw/zinc/15/07/44/582150744.db2.gz	DZFMWHXHDUJMJH-MRVPVSSYSA-N	0	2	274.284	-0.120	20	30		CBEDLN
C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCO[C@@H](C(=O)[O-])C1	ZINC000736199187	582199664	/nfs/dbraw/zinc/19/96/64/582199664.db2.gz	HGVWBGIXFKELFZ-VHSXEESVSA-N	0	2	269.301	-0.468	20	30		CBEDLN
C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCO[C@@H](C(=O)[O-])C1	ZINC000736199187	582199666	/nfs/dbraw/zinc/19/96/66/582199666.db2.gz	HGVWBGIXFKELFZ-VHSXEESVSA-N	0	2	269.301	-0.468	20	30		CBEDLN
N#C[C@H](NC(=O)C[C@H]1SC(=N)NC1=O)C1CC1	ZINC000742654365	582274694	/nfs/dbraw/zinc/27/46/94/582274694.db2.gz	VCIHSZWBHQBDMT-NKWVEPMBSA-N	0	2	252.299	-0.039	20	30		CBEDLN
N#CCn1cc(NS(=O)(=O)c2cn[nH]c2)cn1	ZINC000747407811	582286300	/nfs/dbraw/zinc/28/63/00/582286300.db2.gz	VDEPOTOSKDHQBP-UHFFFAOYSA-N	0	2	252.259	-0.069	20	30		CBEDLN
C=CC[C@@H](CO)NC(=O)C[C@@H]1SC(=N)NC1=O	ZINC000756675927	582304083	/nfs/dbraw/zinc/30/40/83/582304083.db2.gz	IODQBOIPQFNABB-BQBZGAKWSA-N	0	2	257.315	-0.404	20	30		CBEDLN
C=CC[C@H](CO)NC(=O)C[C@@H]1SC(=N)NC1=O	ZINC000756675930	582304098	/nfs/dbraw/zinc/30/40/98/582304098.db2.gz	IODQBOIPQFNABB-RQJHMYQMSA-N	0	2	257.315	-0.404	20	30		CBEDLN
C#CCOCCOC(=O)Cn1[nH]cc2c(=O)ncnc1-2	ZINC000762714276	582318045	/nfs/dbraw/zinc/31/80/45/582318045.db2.gz	XHAIBTQGTBHYBQ-UHFFFAOYSA-N	0	2	276.252	-0.736	20	30		CBEDLN
N#Cc1nc(NC(=O)CNC(=O)c2cccnc2)[nH]c1C#N	ZINC000767869237	582333239	/nfs/dbraw/zinc/33/32/39/582333239.db2.gz	ZVIYWRZBIDZZOI-UHFFFAOYSA-N	0	2	295.262	-0.083	20	30		CBEDLN
C=CC[C@H](CO)CNC(=O)C[C@H]1SC(=N)NC1=O	ZINC000775564411	582352918	/nfs/dbraw/zinc/35/29/18/582352918.db2.gz	ODZOQVOPDLNWJT-JGVFFNPUSA-N	0	2	271.342	-0.156	20	30		CBEDLN
C=CC[C@H](CO)CNC(=O)C[C@@H]1SC(=N)NC1=O	ZINC000775564413	582352926	/nfs/dbraw/zinc/35/29/26/582352926.db2.gz	ODZOQVOPDLNWJT-YUMQZZPRSA-N	0	2	271.342	-0.156	20	30		CBEDLN
C#CCONC(=O)CN(C)c1ncnc2nc[nH]c21	ZINC000812786125	582452965	/nfs/dbraw/zinc/45/29/65/582452965.db2.gz	DMUGPWTTZWUOLU-UHFFFAOYSA-N	0	2	260.257	-0.530	20	30		CBEDLN
O=C1NC(=O)C(=NNCc2ccc(F)cc2F)C(=O)N1	ZINC000814221273	582456060	/nfs/dbraw/zinc/45/60/60/582456060.db2.gz	VZVCXXWJIDMHIA-UHFFFAOYSA-N	0	2	282.206	-0.224	20	30		CBEDLN
O=C1NC(=O)C(=NNc2cc(Cl)ccn2)C(=O)N1	ZINC000814225520	582456199	/nfs/dbraw/zinc/45/61/99/582456199.db2.gz	ITTQYOYVHUKEBV-UHFFFAOYSA-N	0	2	267.632	-0.131	20	30		CBEDLN
C[C@@H](COc1ccccc1)NN=C1C(=O)NC(=O)NC1=O	ZINC000814228761	582456231	/nfs/dbraw/zinc/45/62/31/582456231.db2.gz	KEKUXBOZHDGYDW-QMMMGPOBSA-N	0	2	290.279	-0.235	20	30		CBEDLN
CCn1ncn(NC(=O)c2ccc(C#N)cn2)c1=O	ZINC000816735538	582483038	/nfs/dbraw/zinc/48/30/38/582483038.db2.gz	MDADJUPGVMZHTD-UHFFFAOYSA-N	0	2	258.241	-0.285	20	30		CBEDLN
C=C[C@@H](C)Nc1c(-c2nn[nH]n2)c(=O)n(C)c(=O)n1C	ZINC000819729047	582539526	/nfs/dbraw/zinc/53/95/26/582539526.db2.gz	ATFJJTCKEGCOGW-ZCFIWIBFSA-N	0	2	277.288	-0.750	20	30		CBEDLN
C[C@@](C#N)(CC(=O)[O-])C(=O)OCC[NH+]1CCOCC1	ZINC000819865844	582544453	/nfs/dbraw/zinc/54/44/53/582544453.db2.gz	ORHYBRGZJKKEKM-LBPRGKRZSA-N	0	2	270.285	-0.134	20	30		CBEDLN
C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820095590	582551790	/nfs/dbraw/zinc/55/17/90/582551790.db2.gz	JCPKLKTVOJSCTB-GWCFXTLKSA-N	0	2	283.328	-0.172	20	30		CBEDLN
C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820252089	582560526	/nfs/dbraw/zinc/56/05/26/582560526.db2.gz	ZMSNHBNUIFIXSY-GXFFZTMASA-N	0	2	283.328	-0.172	20	30		CBEDLN
C[C@H]1COCC[N@H+]1CCNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820252089	582560527	/nfs/dbraw/zinc/56/05/27/582560527.db2.gz	ZMSNHBNUIFIXSY-GXFFZTMASA-N	0	2	283.328	-0.172	20	30		CBEDLN
C[N@@H+]1CCO[C@@H]2CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C[C@@H]21	ZINC000820626153	582577073	/nfs/dbraw/zinc/57/70/73/582577073.db2.gz	JCKZYYXUZJQMPB-OPQQBVKSSA-N	0	2	281.312	-0.468	20	30		CBEDLN
C[N@H+]1CCO[C@@H]2CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C[C@@H]21	ZINC000820626153	582577075	/nfs/dbraw/zinc/57/70/75/582577075.db2.gz	JCKZYYXUZJQMPB-OPQQBVKSSA-N	0	2	281.312	-0.468	20	30		CBEDLN
C=CCONC(=O)CN1CCC[C@H](C(=O)OC)C1=O	ZINC000821891627	582622596	/nfs/dbraw/zinc/62/25/96/582622596.db2.gz	JHAUPUOSTZCDMH-VIFPVBQESA-N	0	2	270.285	-0.368	20	30		CBEDLN
C[C@@H](C#N)C(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)[O-]	ZINC000823648210	582676119	/nfs/dbraw/zinc/67/61/19/582676119.db2.gz	QYUTYSATBFMYDJ-DTWKUNHWSA-N	0	2	254.290	-0.444	20	30		CBEDLN
C[C@@H](C#N)C(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)[O-]	ZINC000823648210	582676121	/nfs/dbraw/zinc/67/61/21/582676121.db2.gz	QYUTYSATBFMYDJ-DTWKUNHWSA-N	0	2	254.290	-0.444	20	30		CBEDLN
C[C@@H](C#N)C(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)[O-]	ZINC000823648211	582676137	/nfs/dbraw/zinc/67/61/37/582676137.db2.gz	QYUTYSATBFMYDJ-IUCAKERBSA-N	0	2	254.290	-0.444	20	30		CBEDLN
C[C@@H](C#N)C(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)[O-]	ZINC000823648211	582676138	/nfs/dbraw/zinc/67/61/38/582676138.db2.gz	QYUTYSATBFMYDJ-IUCAKERBSA-N	0	2	254.290	-0.444	20	30		CBEDLN
CC#CCCNc1c(-c2nn[nH]n2)c(=O)n(C)c(=O)n1C	ZINC000823937050	582683357	/nfs/dbraw/zinc/68/33/57/582683357.db2.gz	GDXNPFCNORASDN-UHFFFAOYSA-N	0	2	289.299	-0.911	20	30		CBEDLN
C#CCNC(=O)CO[NH+]=C(N)c1cccc(C(=O)[O-])c1	ZINC000825620230	582742372	/nfs/dbraw/zinc/74/23/72/582742372.db2.gz	YINPEPODCSSFLW-UHFFFAOYSA-N	0	2	275.264	-0.019	20	30		CBEDLN
COCC#CCn1nc(C)c(C)c(-c2nn[nH]n2)c1=O	ZINC000826147988	582762114	/nfs/dbraw/zinc/76/21/14/582762114.db2.gz	UHBCNUXZLONHEC-UHFFFAOYSA-N	0	2	274.284	-0.310	20	30		CBEDLN
CC(C)OC[C@H](C(=O)[O-])[N@H+](C)CC(=O)NCC#N	ZINC000827017239	582797859	/nfs/dbraw/zinc/79/78/59/582797859.db2.gz	WJEPATLWTAXSFW-SECBINFHSA-N	0	2	257.290	-0.564	20	30		CBEDLN
CC(C)OC[C@H](C(=O)[O-])[N@@H+](C)CC(=O)NCC#N	ZINC000827017239	582797861	/nfs/dbraw/zinc/79/78/61/582797861.db2.gz	WJEPATLWTAXSFW-SECBINFHSA-N	0	2	257.290	-0.564	20	30		CBEDLN
C=CCCn1cc(C(=O)NCC(=O)NOC)nn1	ZINC000832745740	583042899	/nfs/dbraw/zinc/04/28/99/583042899.db2.gz	SBTBCYRXHQERGM-UHFFFAOYSA-N	0	2	253.262	-0.738	20	30		CBEDLN
C#CC[NH+]1CCN(C(=O)c2cnc(C(=O)[O-])cn2)CC1	ZINC000833364962	583063833	/nfs/dbraw/zinc/06/38/33/583063833.db2.gz	WOURNVIQYSCMNX-UHFFFAOYSA-N	0	2	274.280	-0.434	20	30		CBEDLN
C[C@](O)(C[N@H+](CCC#N)CCN1CCOCC1)C(=O)[O-]	ZINC000833526754	583072547	/nfs/dbraw/zinc/07/25/47/583072547.db2.gz	YXDPLKNZUADVLI-ZDUSSCGKSA-N	0	2	285.344	-0.630	20	30		CBEDLN
C[C@](O)(C[N@@H+](CCC#N)CCN1CCOCC1)C(=O)[O-]	ZINC000833526754	583072549	/nfs/dbraw/zinc/07/25/49/583072549.db2.gz	YXDPLKNZUADVLI-ZDUSSCGKSA-N	0	2	285.344	-0.630	20	30		CBEDLN
C[C@](O)(CN(CCC#N)CC[NH+]1CCOCC1)C(=O)[O-]	ZINC000833526754	583072551	/nfs/dbraw/zinc/07/25/51/583072551.db2.gz	YXDPLKNZUADVLI-ZDUSSCGKSA-N	0	2	285.344	-0.630	20	30		CBEDLN
C=CC[N@@H+](CCNC(=O)[O-])[C@@H]1CCS(=O)(=O)C1	ZINC000833788012	583083471	/nfs/dbraw/zinc/08/34/71/583083471.db2.gz	KJTMHRJNEJCGPC-SECBINFHSA-N	0	2	262.331	-0.071	20	30		CBEDLN
C=CC[N@H+](CCNC(=O)[O-])[C@@H]1CCS(=O)(=O)C1	ZINC000833788012	583083473	/nfs/dbraw/zinc/08/34/73/583083473.db2.gz	KJTMHRJNEJCGPC-SECBINFHSA-N	0	2	262.331	-0.071	20	30		CBEDLN
CCCCOC(=O)Cn1c(=O)[nH]cc(C#N)c1=O	ZINC000842614706	583186718	/nfs/dbraw/zinc/18/67/18/583186718.db2.gz	BROUAZFJDFLRQF-UHFFFAOYSA-N	0	2	251.242	-0.248	20	30		CBEDLN
CC(C)COC(=O)Cn1c(=O)[nH]cc(C#N)c1=O	ZINC000842618804	583187000	/nfs/dbraw/zinc/18/70/00/583187000.db2.gz	YLDYYEYQDXQTDK-UHFFFAOYSA-N	0	2	251.242	-0.393	20	30		CBEDLN
C=CCn1cc(C(=O)NCC(=O)NOCC)nn1	ZINC000846490059	583364048	/nfs/dbraw/zinc/36/40/48/583364048.db2.gz	DAISGBCFOUFTHZ-UHFFFAOYSA-N	0	2	253.262	-0.738	20	30		CBEDLN
CC[C@@H](C#N)N(C)C(=O)Cn1[nH]cc2c(=O)ncnc1-2	ZINC000847165454	583399854	/nfs/dbraw/zinc/39/98/54/583399854.db2.gz	ASYBMWFKCVRABI-QMMMGPOBSA-N	0	2	274.284	-0.168	20	30		CBEDLN
N=C1NC(=O)[C@H](CC(=O)N[C@@H]2CCCN(O)C2=O)S1	ZINC000848139341	583434085	/nfs/dbraw/zinc/43/40/85/583434085.db2.gz	UFCQUFZQOPTVSS-RITPCOANSA-N	0	2	286.313	-0.961	20	30		CBEDLN
CCONC(=O)CNC(=O)N1CC[C@@](C)(C#N)C1	ZINC000852398942	583543938	/nfs/dbraw/zinc/54/39/38/583543938.db2.gz	BYEMTKAAXUFIRE-NSHDSACASA-N	0	2	254.290	-0.001	20	30		CBEDLN
CC(C)(C)OC(=O)C(=O)Cn1c(=O)[nH]cc(C#N)c1=O	ZINC000863347545	583839682	/nfs/dbraw/zinc/83/96/82/583839682.db2.gz	YAASPHQHXGHBDN-UHFFFAOYSA-N	0	2	279.252	-0.681	20	30		CBEDLN
CC#CC[C@@H](CO)NS(=O)(=O)N=S1(=O)CCCC1	ZINC000867454948	583954058	/nfs/dbraw/zinc/95/40/58/583954058.db2.gz	MWMDGCLRKIMZMI-JTQLQIEISA-N	0	2	294.398	-0.143	20	30		CBEDLN
CN(C(=O)[O-])[C@@H]1CCC[N@H+](CC(=O)NCC#N)C1	ZINC000739582496	602679753	/nfs/dbraw/zinc/67/97/53/602679753.db2.gz	CMNNJSHWESPELI-SECBINFHSA-N	0	2	254.290	-0.300	20	30		CBEDLN
CN(C(=O)[O-])[C@@H]1CCC[N@@H+](CC(=O)NCC#N)C1	ZINC000739582496	602679755	/nfs/dbraw/zinc/67/97/55/602679755.db2.gz	CMNNJSHWESPELI-SECBINFHSA-N	0	2	254.290	-0.300	20	30		CBEDLN
CC#CC[NH+]1CCN(C(=O)c2cnc([O-])n(C)c2=O)CC1	ZINC000949609764	613568814	/nfs/dbraw/zinc/56/88/14/613568814.db2.gz	LWRUJVGLGUJPJX-UHFFFAOYSA-N	0	2	290.323	-0.733	20	30		CBEDLN
C#CCONC(=O)CSCC(=O)N1CCOCC1	ZINC000700589415	656176935	/nfs/dbraw/zinc/17/69/35/656176935.db2.gz	LYNQSFWEOAWDTG-UHFFFAOYSA-N	0	2	272.326	-0.741	20	30		CBEDLN
C#CCC[NH+]1CC(NC(=O)c2c[n-]n3c2nccc3=O)C1	ZINC001031069034	799435864	/nfs/dbraw/zinc/43/58/64/799435864.db2.gz	RHUTXXPDCRIQAD-UHFFFAOYSA-N	0	2	285.307	-0.540	20	30		CBEDLN
C=C(C)C[NH+]1CC(N(C)C(=O)c2cnc([O-])n(C)c2=O)C1	ZINC001043510941	801570100	/nfs/dbraw/zinc/57/01/00/801570100.db2.gz	QFMHWAWSHPFWDJ-UHFFFAOYSA-N	0	2	292.339	-0.182	20	30		CBEDLN
C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)c2[nH]ncc2F)C1	ZINC001046207109	801739202	/nfs/dbraw/zinc/73/92/02/801739202.db2.gz	ULXGDZHJSXJXMM-ZETCQYMHSA-N	0	2	295.274	-0.988	20	30		CBEDLN
O=C(N=C1NS(=O)(=O)c2ccccc21)[C@@H]1CC1[N+](=O)[O-]	ZINC001117985787	812461763	/nfs/dbraw/zinc/46/17/63/812461763.db2.gz	WQCPOMFYHWEDKK-HTQZYQBOSA-N	0	2	295.276	-0.083	20	30		CBEDLN
O=C(N=C1NS(=O)(=O)c2ccccc21)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001117985787	812461768	/nfs/dbraw/zinc/46/17/68/812461768.db2.gz	WQCPOMFYHWEDKK-HTQZYQBOSA-N	0	2	295.276	-0.083	20	30		CBEDLN
C=CCCOCC(=O)N1CCN(Cc2n[nH]c(=O)[nH]2)CC1	ZINC001113709497	811655173	/nfs/dbraw/zinc/65/51/73/811655173.db2.gz	SIVGPDQPCAACEO-UHFFFAOYSA-N	0	2	295.343	-0.253	20	30		CBEDLN
Cn1c(=O)[nH]c(N2CCC[C@H](F)C2)c(C#N)c1=O	ZINC001120846453	813022152	/nfs/dbraw/zinc/02/21/52/813022152.db2.gz	WEXOLGSGVWJYOU-ZETCQYMHSA-N	0	2	252.249	-0.116	20	30		CBEDLN
CS[C@H]1CCN(c2[nH]c(=O)n(C)c(=O)c2C#N)C1	ZINC001120850711	813024412	/nfs/dbraw/zinc/02/44/12/813024412.db2.gz	CJJAEXWMZDRAED-ZETCQYMHSA-N	0	2	266.326	-0.113	20	30		CBEDLN
C[C@@H]1CN(c2[nH]c(=O)n(C)c(=O)c2C#N)CCO1	ZINC001120877810	813025358	/nfs/dbraw/zinc/02/53/58/813025358.db2.gz	RVZPBCUVGYUETG-SSDOTTSWSA-N	0	2	250.258	-0.830	20	30		CBEDLN
COCC1CN(c2[nH]c(=O)n(C)c(=O)c2C#N)C1	ZINC001120945808	813031203	/nfs/dbraw/zinc/03/12/03/813031203.db2.gz	UZCILPPKUBABCD-UHFFFAOYSA-N	0	2	250.258	-0.972	20	30		CBEDLN
N#CC(C(=O)[C@@H]1CSCC(=O)N1)c1ccncn1	ZINC001122924435	813197275	/nfs/dbraw/zinc/19/72/75/813197275.db2.gz	SBPFQMUDPKHAOM-APPZFPTMSA-N	0	2	262.294	-0.116	20	30		CBEDLN
C[C@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)c1cn[nH]c1	ZINC001162959471	815850130	/nfs/dbraw/zinc/85/01/30/815850130.db2.gz	BBQMIUOGGOZDQO-LURJTMIESA-N	0	2	260.257	-0.159	20	30		CBEDLN
COCC#CC(=O)N(C)CCc1nc(O)c(C)c(=O)[nH]1	ZINC001304048883	816776743	/nfs/dbraw/zinc/77/67/43/816776743.db2.gz	GCWINKVLQHIVIJ-UHFFFAOYSA-N	0	2	279.296	-0.153	20	30		CBEDLN
CS(=O)(=O)Cc1nnc(CNC(=O)CCCC#N)[nH]1	ZINC001304086632	816778905	/nfs/dbraw/zinc/77/89/05/816778905.db2.gz	MFLLTPDOVMVDOR-UHFFFAOYSA-N	0	2	285.329	-0.341	20	30		CBEDLN
C=CCCC(=O)NC1CN(Cc2n[nH]c(=O)[nH]2)C1	ZINC001318006728	817063170	/nfs/dbraw/zinc/06/31/70/817063170.db2.gz	DOJFBIACCCHJGK-UHFFFAOYSA-N	0	2	251.290	-0.223	20	30		CBEDLN
C=C[C@](C)(O)CC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[nH]2)C1	ZINC001318247383	817090136	/nfs/dbraw/zinc/09/01/36/817090136.db2.gz	CJENKPPEWBJEAV-ZANVPECISA-N	0	2	295.343	-0.472	20	30		CBEDLN
N#Cc1c[nH]c(=O)n(Cc2ccc3nonc3c2)c1=O	ZINC001166383561	819997872	/nfs/dbraw/zinc/99/78/72/819997872.db2.gz	LQWWMMBRXSDRFD-UHFFFAOYSA-N	0	2	269.220	-0.007	20	30		CBEDLN
Cn1c(=O)[nH]c(NCCCc2nnc[nH]2)c(C#N)c1=O	ZINC001186305038	821178243	/nfs/dbraw/zinc/17/82/43/821178243.db2.gz	RQDSZTBRKORVFF-UHFFFAOYSA-N	0	2	275.272	-0.892	20	30		CBEDLN
COC(=O)CCS(=O)(=O)Nc1cncc(C#N)n1	ZINC001188352518	822332159	/nfs/dbraw/zinc/33/21/59/822332159.db2.gz	CKKPWNGINOQZBA-UHFFFAOYSA-N	0	2	270.270	-0.347	20	30		CBEDLN
C[C@H](CNC(=O)CSCC#N)[N@H+](C)Cc1n[nH]c(=O)[n-]1	ZINC001282357107	828442846	/nfs/dbraw/zinc/44/28/46/828442846.db2.gz	UNSGOJVIXIPYLR-MRVPVSSYSA-N	0	2	298.372	-0.296	20	30		CBEDLN
C[C@H](CNC(=O)CSCC#N)[N@@H+](C)Cc1n[nH]c(=O)[n-]1	ZINC001282357107	828442849	/nfs/dbraw/zinc/44/28/49/828442849.db2.gz	UNSGOJVIXIPYLR-MRVPVSSYSA-N	0	2	298.372	-0.296	20	30		CBEDLN
C[C@H](C#N)S(=O)(=O)Nc1cncc(C(N)=O)c1	ZINC001193105410	824003877	/nfs/dbraw/zinc/00/38/77/824003877.db2.gz	VYBSDGOIQOBMLC-ZCFIWIBFSA-N	0	2	254.271	-0.166	20	30		CBEDLN
N#CCS(=O)(=O)Nc1cnc(OC2COC2)nc1	ZINC001192938725	823992245	/nfs/dbraw/zinc/99/22/45/823992245.db2.gz	GERVLZWGIOXJQN-UHFFFAOYSA-N	0	2	270.270	-0.481	20	30		CBEDLN
CCOC(=O)C(NS(=O)(=O)[C@H](C)C#N)=C(C)O	ZINC001193171142	824010526	/nfs/dbraw/zinc/01/05/26/824010526.db2.gz	ZUCMVWUBLJWEDA-SVRRBLITSA-N	0	2	262.287	-0.661	20	30		CBEDLN
C[C@@H](O)[C@H](NS(=O)(=O)[C@@H](C)C#N)C(=O)OC(C)(C)C	ZINC001193173777	824012189	/nfs/dbraw/zinc/01/21/89/824012189.db2.gz	TYZZFULQCDJPHH-YIZRAAEISA-N	0	2	292.357	-0.091	20	30		CBEDLN
N#C[C@H]1CN(S(=O)(=O)C[C@@H]2CCCO2)CCC1=O	ZINC001193237933	824016435	/nfs/dbraw/zinc/01/64/35/824016435.db2.gz	NDSBAJADWITQFP-UWVGGRQHSA-N	0	2	272.326	-0.090	20	30		CBEDLN
N#CCCO[C@@H](C[NH+]1CCOCC1)CS(=O)(=O)[O-]	ZINC001205610942	824381185	/nfs/dbraw/zinc/38/11/85/824381185.db2.gz	UYXHFIVLHDOXDV-JTQLQIEISA-N	0	2	278.330	-0.495	20	30		CBEDLN
C=CCCCC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[nH]2)C[C@@H]1O	ZINC001220246070	824994662	/nfs/dbraw/zinc/99/46/62/824994662.db2.gz	LXMZPZVRPLNDIB-ZJUUUORDSA-N	0	2	295.343	-0.472	20	30		CBEDLN
CCOC(=O)[C@H](C#N)NS(=O)(=O)c1cn[nH]c1	ZINC001260964150	826481447	/nfs/dbraw/zinc/48/14/47/826481447.db2.gz	OYUXYBUQEWFXOL-ZETCQYMHSA-N	0	2	258.259	-0.857	20	30		CBEDLN
C=CCN(CCOC)c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001262693159	826723498	/nfs/dbraw/zinc/72/34/98/826723498.db2.gz	GJMMINQFYWURAU-UHFFFAOYSA-N	0	2	264.285	-0.416	20	30		CBEDLN
C#CC(=O)N1CCc2onc(C(=O)Nc3nnco3)c2C1	ZINC001268851403	827430456	/nfs/dbraw/zinc/43/04/56/827430456.db2.gz	LSMZJLWCQQRQHX-UHFFFAOYSA-N	0	2	287.235	-0.172	20	30		CBEDLN
C#CCOCCC(=O)NC[C@H](C)[N@H+](C)Cc1n[nH]c(=O)[n-]1	ZINC001275828282	828117553	/nfs/dbraw/zinc/11/75/53/828117553.db2.gz	WNSUCBANOKOFFB-JTQLQIEISA-N	0	2	295.343	-0.513	20	30		CBEDLN
C#CCOCCC(=O)NC[C@H](C)[N@@H+](C)Cc1n[nH]c(=O)[n-]1	ZINC001275828282	828117557	/nfs/dbraw/zinc/11/75/57/828117557.db2.gz	WNSUCBANOKOFFB-JTQLQIEISA-N	0	2	295.343	-0.513	20	30		CBEDLN
COCC#CC[N@H+](C)[C@@H](C)CNC(=O)c1nc[nH]n1	ZINC001275962274	828126147	/nfs/dbraw/zinc/12/61/47/828126147.db2.gz	DWYBRBJMIURZGN-JTQLQIEISA-N	0	2	265.317	-0.495	20	30		CBEDLN
CC(C)C#CC(=O)NC[C@@H]1CCN1Cc1n[nH]c(=O)[nH]1	ZINC001276841205	828161778	/nfs/dbraw/zinc/16/17/78/828161778.db2.gz	BFYKLAYNFGIHPM-JTQLQIEISA-N	0	2	277.328	-0.140	20	30		CBEDLN
C#CC1(O)CCN(C(=O)C[C@@H]2SC(=N)NC2=O)CC1	ZINC001332225853	887161995	/nfs/dbraw/zinc/16/19/95/887161995.db2.gz	MLWPINSIYLIJAX-QMMMGPOBSA-N	0	2	281.337	-0.470	20	30		CBEDLN
N#CC(C(=O)CN1CCOCC1=O)c1ccncn1	ZINC001344623027	890047818	/nfs/dbraw/zinc/04/78/18/890047818.db2.gz	VBYMSGTXCKKSJW-VIFPVBQESA-N	0	2	260.253	-0.488	20	30		CBEDLN
N#C[C@H](C(=O)CN1CCOCC1=O)c1ccncn1	ZINC001344623027	890047839	/nfs/dbraw/zinc/04/78/39/890047839.db2.gz	VBYMSGTXCKKSJW-VIFPVBQESA-N	0	2	260.253	-0.488	20	30		CBEDLN
C#CCC1(O)CCN(C(=O)C[C@H]2SC(=N)NC2=O)CC1	ZINC001332314657	887198644	/nfs/dbraw/zinc/19/86/44/887198644.db2.gz	JSRQIMRRRSOTTA-SECBINFHSA-N	0	2	295.364	-0.080	20	30		CBEDLN
C[NH+]1CCC(C#N)(NC(=O)C2C[NH+]([C@H]3CCOC3)C2)CC1	ZINC001334733802	888303055	/nfs/dbraw/zinc/30/30/55/888303055.db2.gz	AACASAVEFBEJJD-ZDUSSCGKSA-N	0	2	292.383	-0.189	20	30		CBEDLN
Cn1c(=O)[nH]c(NC[C@@H]2CCCO2)c(C#N)c1=O	ZINC001336434263	888763937	/nfs/dbraw/zinc/76/39/37/888763937.db2.gz	YIOLERARHLSFJE-ZETCQYMHSA-N	0	2	250.258	-0.464	20	30		CBEDLN
C[C@@H]1[C@H](C)OCCN1c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001336561633	888794659	/nfs/dbraw/zinc/79/46/59/888794659.db2.gz	ROCDAJPFTSLFRD-SFYZADRCSA-N	0	2	264.285	-0.441	20	30		CBEDLN
Cn1c(=O)[nH]c(N2CCC(F)(F)C2)c(C#N)c1=O	ZINC001336578808	888800362	/nfs/dbraw/zinc/80/03/62/888800362.db2.gz	PHZDTZIUBDBKRB-UHFFFAOYSA-N	0	2	256.212	-0.209	20	30		CBEDLN
C[C@H]1COCC[C@H]1Nc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001336595628	888808697	/nfs/dbraw/zinc/80/86/97/888808697.db2.gz	JXKXCOLEMQJHDY-IONNQARKSA-N	0	2	264.285	-0.218	20	30		CBEDLN
CO[C@H](C)CN(C)c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001336636228	888823218	/nfs/dbraw/zinc/82/32/18/888823218.db2.gz	GCNIQFFYYFTVEE-SSDOTTSWSA-N	0	2	252.274	-0.584	20	30		CBEDLN
C[C@@H]1C[C@H](Nc2[nH]c(=O)n(C)c(=O)c2C#N)[C@H](C)O1	ZINC001336691920	888850084	/nfs/dbraw/zinc/85/00/84/888850084.db2.gz	HJDPHVIMTRTQKC-FJXKBIBVSA-N	0	2	264.285	-0.077	20	30		CBEDLN
CO[C@@H]1CCC[C@H]1Nc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001337186297	888973658	/nfs/dbraw/zinc/97/36/58/888973658.db2.gz	SGROAGHADXIROR-RKDXNWHRSA-N	0	2	264.285	-0.075	20	30		CBEDLN
Cn1c(=O)[nH]c(N2CCCOCC2)c(C#N)c1=O	ZINC001337757558	889072958	/nfs/dbraw/zinc/07/29/58/889072958.db2.gz	YYEOMKYEYTZARH-UHFFFAOYSA-N	0	2	250.258	-0.828	20	30		CBEDLN
C[C@@H]1CN(c2[nH]c(=O)n(C)c(=O)c2C#N)CCCO1	ZINC001337767857	889077855	/nfs/dbraw/zinc/07/78/55/889077855.db2.gz	ASOJJESYRLUIQD-MRVPVSSYSA-N	0	2	264.285	-0.440	20	30		CBEDLN
COC(C)(C)CN(C)c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001339610917	889295661	/nfs/dbraw/zinc/29/56/61/889295661.db2.gz	UEWNJOHKXOZBIA-UHFFFAOYSA-N	0	2	266.301	-0.194	20	30		CBEDLN
CO[C@H](C)[C@H](C)Nc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001354172481	891527359	/nfs/dbraw/zinc/52/73/59/891527359.db2.gz	WTOYBOKJQJANBN-NKWVEPMBSA-N	0	2	252.274	-0.219	20	30		CBEDLN
C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC001362613026	892839816	/nfs/dbraw/zinc/83/98/16/892839816.db2.gz	NAAGBVGYPPHGEE-JVXZTZIISA-N	0	2	274.284	-0.453	20	30		CBEDLN
C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC001362613026	892839824	/nfs/dbraw/zinc/83/98/24/892839824.db2.gz	NAAGBVGYPPHGEE-JVXZTZIISA-N	0	2	274.284	-0.453	20	30		CBEDLN
Cn1c(=O)[nH]c(NCC(=O)NC2CCCC2)c(C#N)c1=O	ZINC001363136164	893394613	/nfs/dbraw/zinc/39/46/13/893394613.db2.gz	XOKCLTGFXWDQBR-UHFFFAOYSA-N	0	2	291.311	-0.584	20	30		CBEDLN
Cc1nn(C)cc1CNc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001363142418	893400454	/nfs/dbraw/zinc/40/04/54/893400454.db2.gz	KKXGGFDIUHQYTE-UHFFFAOYSA-N	0	2	274.284	-0.401	20	30		CBEDLN
CCOC(=O)C[C@@H](C)CNc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001363145389	893404490	/nfs/dbraw/zinc/40/44/90/893404490.db2.gz	UPMWUTLOPAORQY-MRVPVSSYSA-N	0	2	294.311	-0.054	20	30		CBEDLN
Cn1c(=O)[nH]c(NCC[C@@]2(O)CCCOC2)c(C#N)c1=O	ZINC001363145463	893404983	/nfs/dbraw/zinc/40/49/83/893404983.db2.gz	FTBUEHPDGFTOMM-ZDUSSCGKSA-N	0	2	294.311	-0.711	20	30		CBEDLN
CCc1cc(CNc2[nH]c(=O)n(C)c(=O)c2C#N)[nH]n1	ZINC001363147596	893407286	/nfs/dbraw/zinc/40/72/86/893407286.db2.gz	FQFXXFVNNHAJDJ-UHFFFAOYSA-N	0	2	274.284	-0.157	20	30		CBEDLN
CCc1cc(CNc2[nH]c(=O)n(C)c(=O)c2C#N)n[nH]1	ZINC001363147596	893407295	/nfs/dbraw/zinc/40/72/95/893407295.db2.gz	FQFXXFVNNHAJDJ-UHFFFAOYSA-N	0	2	274.284	-0.157	20	30		CBEDLN
Cn1c(=O)[nH]c(N[C@@H](CO)C2CCCC2)c(C#N)c1=O	ZINC001363151284	893410855	/nfs/dbraw/zinc/41/08/55/893410855.db2.gz	BWIKJXNHWIFWJL-JTQLQIEISA-N	0	2	278.312	-0.092	20	30		CBEDLN
Cn1c(=O)[nH]c(NCC2(CO)CCCC2)c(C#N)c1=O	ZINC001363152018	893411190	/nfs/dbraw/zinc/41/11/90/893411190.db2.gz	DVMKNSNGMUQSOL-UHFFFAOYSA-N	0	2	278.312	-0.090	20	30		CBEDLN
COCC[C@H]1COCCN1c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001363161074	893417858	/nfs/dbraw/zinc/41/78/58/893417858.db2.gz	XJEWFEVRTLNDQR-VIFPVBQESA-N	0	2	294.311	-0.813	20	30		CBEDLN
C[C@H]1CC[C@H](C(N)=O)CN1c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001363723841	893942442	/nfs/dbraw/zinc/94/24/42/893942442.db2.gz	SUAUFUZFNPXSBU-YUMQZZPRSA-N	0	2	291.311	-0.965	20	30		CBEDLN
COC[C@H]1CN(c2[nH]c(=O)n(C)c(=O)c2C#N)C[C@H](C)O1	ZINC001363733724	893951466	/nfs/dbraw/zinc/95/14/66/893951466.db2.gz	NTUFIEZALKQCGW-DTWKUNHWSA-N	0	2	294.311	-0.815	20	30		CBEDLN
Cn1c(=O)[nH]c(N2CCC[C@H](CC(N)=O)C2)c(C#N)c1=O	ZINC001363736398	893952666	/nfs/dbraw/zinc/95/26/66/893952666.db2.gz	OHIRGFKRFMPLFT-MRVPVSSYSA-N	0	2	291.311	-0.963	20	30		CBEDLN
COc1cncc(CNc2[nH]c(=O)n(C)c(=O)c2C#N)c1	ZINC001363740293	893956545	/nfs/dbraw/zinc/95/65/45/893956545.db2.gz	BXVXOTFKMOEOMZ-UHFFFAOYSA-N	0	2	287.279	-0.039	20	30		CBEDLN
COCc1nnc(CNS(=O)(=O)CC(C)(C)C#N)[nH]1	ZINC001364005686	894144021	/nfs/dbraw/zinc/14/40/21/894144021.db2.gz	FLYMMDIBMGNCGS-UHFFFAOYSA-N	0	2	287.345	-0.080	20	30		CBEDLN
C[C@@H](CO[C@@H]1CCOC1)Nc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001364168445	894226510	/nfs/dbraw/zinc/22/65/10/894226510.db2.gz	GGOWZLLOSHATHF-DTWKUNHWSA-N	0	2	294.311	-0.449	20	30		CBEDLN
CN(CCc1cnccn1)c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001364172999	894229900	/nfs/dbraw/zinc/22/99/00/894229900.db2.gz	QGEWBPWSEMAWFZ-UHFFFAOYSA-N	0	2	286.295	-0.586	20	30		CBEDLN
C[C@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)c1ncnn1C	ZINC001364171270	894230423	/nfs/dbraw/zinc/23/04/23/894230423.db2.gz	KYSORHHDTRLKGM-LURJTMIESA-N	0	2	275.272	-0.753	20	30		CBEDLN
Cn1c(=O)[nH]c(N[C@@H]2CCC[C@@H]2CCO)c(C#N)c1=O	ZINC001364169657	894230997	/nfs/dbraw/zinc/23/09/97/894230997.db2.gz	LLUJZTDZVVAQPQ-PSASIEDQSA-N	0	2	278.312	-0.092	20	30		CBEDLN
CN1CC[C@@H](CNc2[nH]c(=O)n(C)c(=O)c2C#N)CC1=O	ZINC001364201056	894247566	/nfs/dbraw/zinc/24/75/66/894247566.db2.gz	NJVHMGBHVRPGCG-MRVPVSSYSA-N	0	2	291.311	-0.774	20	30		CBEDLN
CC[C@]1(O)CCCN(c2[nH]c(=O)n(C)c(=O)c2C#N)C1	ZINC001364221001	894264096	/nfs/dbraw/zinc/26/40/96/894264096.db2.gz	KCGJQXZNANYXTF-ZDUSSCGKSA-N	0	2	278.312	-0.313	20	30		CBEDLN
COC(=O)N(C)CCNc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001364227372	894268789	/nfs/dbraw/zinc/26/87/89/894268789.db2.gz	KMCHUSUNEXVOGM-UHFFFAOYSA-N	0	2	281.272	-0.945	20	30		CBEDLN
Cn1c(=O)[nH]c(N2CC[C@@H](c3ncccn3)C2)c(C#N)c1=O	ZINC001364245188	894281821	/nfs/dbraw/zinc/28/18/21/894281821.db2.gz	DLVBURLUCOOSOO-SECBINFHSA-N	0	2	298.306	-0.271	20	30		CBEDLN
COC(=O)c1csc(Cn2c(=O)[nH]cc(C#N)c2=O)n1	ZINC001364279071	894300918	/nfs/dbraw/zinc/30/09/18/894300918.db2.gz	JNUXSJFBQDUMAG-UHFFFAOYSA-N	0	2	292.276	-0.300	20	30		CBEDLN
Cn1c(=O)[nH]c(NC[C@@H](O)c2ccco2)c(C#N)c1=O	ZINC001364530139	894481038	/nfs/dbraw/zinc/48/10/38/894481038.db2.gz	BTHARTYISMOKNV-MRVPVSSYSA-N	0	2	276.252	-0.316	20	30		CBEDLN
CC[C@H](C)NC(=O)[C@@H](C)Nc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001364539504	894484170	/nfs/dbraw/zinc/48/41/70/894484170.db2.gz	WLUCCNQYPCIRIY-JGVFFNPUSA-N	0	2	293.327	-0.340	20	30		CBEDLN
CC[S@@](=O)CCNc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001364535617	894484291	/nfs/dbraw/zinc/48/42/91/894484291.db2.gz	SNAPMUIALNHUQY-GOSISDBHSA-N	0	2	270.314	-0.874	20	30		CBEDLN
CCOC(=O)[C@H](C)CNc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001364545889	894487260	/nfs/dbraw/zinc/48/72/60/894487260.db2.gz	XNSGZUYCMAIYTP-SSDOTTSWSA-N	0	2	280.284	-0.444	20	30		CBEDLN
CNC(=O)c1cccc(Cn2c(=O)[nH]cc(C#N)c2=O)c1	ZINC001364615937	894524245	/nfs/dbraw/zinc/52/42/45/894524245.db2.gz	NDZFZRRMESQVQM-UHFFFAOYSA-N	0	2	284.275	-0.184	20	30		CBEDLN
Cn1c(=O)[nH]c(NCC2([S@](C)=O)CC2)c(C#N)c1=O	ZINC001365219899	894826177	/nfs/dbraw/zinc/82/61/77/894826177.db2.gz	CDIXFWVNYSIXRR-IBGZPJMESA-N	0	2	282.325	-0.732	20	30		CBEDLN
CC(C)OC(=O)[C@@H](C)CNc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001365217472	894826443	/nfs/dbraw/zinc/82/64/43/894826443.db2.gz	PBTUFICUMGZULE-QMMMGPOBSA-N	0	2	294.311	-0.055	20	30		CBEDLN
C[C@@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)c1ncn(C)n1	ZINC001365224038	894829692	/nfs/dbraw/zinc/82/96/92/894829692.db2.gz	UYMQYGLYINYXRJ-ZCFIWIBFSA-N	0	2	275.272	-0.753	20	30		CBEDLN
CCO[C@@H]1C[C@H](Nc2[nH]c(=O)n(C)c(=O)c2C#N)[C@@H]1OC	ZINC001365223881	894830846	/nfs/dbraw/zinc/83/08/46/894830846.db2.gz	JUSRQCZBMLWPDP-AEJSXWLSSA-N	0	2	294.311	-0.450	20	30		CBEDLN
Cn1c(=O)[nH]c(NC2COC(C)(C)OC2)c(C#N)c1=O	ZINC001365225566	894831061	/nfs/dbraw/zinc/83/10/61/894831061.db2.gz	QSEYPPTVZWCNEB-UHFFFAOYSA-N	0	2	280.284	-0.491	20	30		CBEDLN
Cn1c(=O)[nH]c(N2CC[C@@](O)(C(F)F)C2)c(C#N)c1=O	ZINC001365228412	894833633	/nfs/dbraw/zinc/83/36/33/894833633.db2.gz	XQUVKORNTBRQSG-NSHDSACASA-N	0	2	286.238	-0.848	20	30		CBEDLN
C[C@@H](C#N)C(=O)N(C)C[C@H](O)CNC(=O)c1[nH]ncc1F	ZINC001451918448	913929076	/nfs/dbraw/zinc/92/90/76/913929076.db2.gz	IHPKPMJDUVLYDO-JGVFFNPUSA-N	0	2	297.290	-0.742	20	30		CBEDLN
COC(=O)CCN(CC#N)C(=O)C[C@H]1SC(=N)NC1=O	ZINC001454929983	914268453	/nfs/dbraw/zinc/26/84/53/914268453.db2.gz	NMMIVNSOZSFUMZ-SSDOTTSWSA-N	0	2	298.324	-0.542	20	30		CBEDLN
Cn1c(=O)[nH]c(N[C@@H](CO)C(C)(C)C)c(C#N)c1=O	ZINC001458202053	914629474	/nfs/dbraw/zinc/62/94/74/914629474.db2.gz	IDAUBIZSUGLUOF-QMMMGPOBSA-N	0	2	266.301	-0.236	20	30		CBEDLN
Cn1c(=O)[nH]c(NC[C@H](O)C2CC2)c(C#N)c1=O	ZINC001458164292	914630387	/nfs/dbraw/zinc/63/03/87/914630387.db2.gz	IMRIZXHXBPGZIT-QMMMGPOBSA-N	0	2	250.258	-0.872	20	30		CBEDLN
Cn1c(=O)[nH]c(NC[C@@H]2CC[C@H](O)C2)c(C#N)c1=O	ZINC001458363985	914646030	/nfs/dbraw/zinc/64/60/30/914646030.db2.gz	OJVFPWBGINLXJX-SFYZADRCSA-N	0	2	264.285	-0.482	20	30		CBEDLN
COC(=O)[C@@H]1CN(c2[nH]c(=O)n(C)c(=O)c2C#N)C[C@H]1C	ZINC001458458900	914654745	/nfs/dbraw/zinc/65/47/45/914654745.db2.gz	XMVZNEGQCIIXHN-VXNVDRBHSA-N	0	2	292.295	-0.809	20	30		CBEDLN
CC(C)(C#N)CC(=O)NCc1nnc(CS(C)(=O)=O)[nH]1	ZINC001412682974	904664677	/nfs/dbraw/zinc/66/46/77/904664677.db2.gz	DGCIBNWKXJEJRS-UHFFFAOYSA-N	0	2	299.356	-0.095	20	30		CBEDLN
Cn1c(=O)[nH]c(N[C@H](C(N)=O)c2ccccc2)c(C#N)c1=O	ZINC001412871534	904775892	/nfs/dbraw/zinc/77/58/92/904775892.db2.gz	WVQSRPFUMVDFSW-JTQLQIEISA-N	0	2	299.290	-0.416	20	30		CBEDLN
Cn1c(=O)[nH]c(N2CCC[C@@](C)(CO)C2)c(C#N)c1=O	ZINC001412883835	904783939	/nfs/dbraw/zinc/78/39/39/904783939.db2.gz	WLLFJFKZEIUUOF-CYBMUJFWSA-N	0	2	278.312	-0.456	20	30		CBEDLN
CN(CC(=O)N1CCCC1)c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001412900794	904791089	/nfs/dbraw/zinc/79/10/89/904791089.db2.gz	OVRIJIGBGOWUKF-UHFFFAOYSA-N	0	2	291.311	-0.996	20	30		CBEDLN
Cn1c(=O)[nH]c(NC[C@H](CO)CC2CC2)c(C#N)c1=O	ZINC001412902853	904792932	/nfs/dbraw/zinc/79/29/32/904792932.db2.gz	VKPWPSYRDJJTNL-SECBINFHSA-N	0	2	278.312	-0.234	20	30		CBEDLN
Cn1c(=O)[nH]c(N2CC[C@@H](O)C(F)(F)C2)c(C#N)c1=O	ZINC001413891375	905261328	/nfs/dbraw/zinc/26/13/28/905261328.db2.gz	IFZCDAUSNMEOPY-SSDOTTSWSA-N	0	2	286.238	-0.848	20	30		CBEDLN
COC[C@]1(C)CN(c2[nH]c(=O)n(C)c(=O)c2C#N)CCO1	ZINC001413901282	905263416	/nfs/dbraw/zinc/26/34/16/905263416.db2.gz	XUUMNUQVHFTEBL-ZDUSSCGKSA-N	0	2	294.311	-0.813	20	30		CBEDLN
Cn1c(=O)[nH]c(NCC[S@](=O)C(C)(C)C)c(C#N)c1=O	ZINC001421079255	907417152	/nfs/dbraw/zinc/41/71/52/907417152.db2.gz	DSYQOXXHMIMJBE-FQEVSTJZSA-N	0	2	298.368	-0.096	20	30		CBEDLN
CS[C@H](CO)[C@H](C)Nc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001421077890	907417720	/nfs/dbraw/zinc/41/77/20/907417720.db2.gz	AMBUBSAKTZEKEG-POYBYMJQSA-N	0	2	284.341	-0.530	20	30		CBEDLN
C[C@@H]1CCC[C@]1(O)CNc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001421125008	907439449	/nfs/dbraw/zinc/43/94/49/907439449.db2.gz	SADMQJHAARHPDW-OQPBUACISA-N	0	2	278.312	-0.092	20	30		CBEDLN
CCC(O)(CC)CN(C)c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001421216933	907467420	/nfs/dbraw/zinc/46/74/20/907467420.db2.gz	LOHIEDWTNDBTTB-UHFFFAOYSA-N	0	2	280.328	-0.067	20	30		CBEDLN
CS(=O)(=O)Cc1nnc(CNc2ccncc2C#N)[nH]1	ZINC001421279497	907480755	/nfs/dbraw/zinc/48/07/55/907480755.db2.gz	NRIPOWATGMSRQU-UHFFFAOYSA-N	0	2	292.324	-0.350	20	30		CBEDLN
Cn1c(=O)[nH]c(N[C@H]2CCC3(C2)OCCO3)c(C#N)c1=O	ZINC001434442440	910186304	/nfs/dbraw/zinc/18/63/04/910186304.db2.gz	GVNAAJXZYHBYIU-QMMMGPOBSA-N	0	2	292.295	-0.347	20	30		CBEDLN
CCO[C@@H]1COCC[C@@H]1Nc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001434444147	910189559	/nfs/dbraw/zinc/18/95/59/910189559.db2.gz	DKLKXMNWJAUYMJ-VHSXEESVSA-N	0	2	294.311	-0.449	20	30		CBEDLN
CC1(C)CN(C(=O)Cn2c(=O)[nH]cc(C#N)c2=O)CCO1	ZINC001434452730	910196624	/nfs/dbraw/zinc/19/66/24/910196624.db2.gz	DQSQTDHFFZAKTR-UHFFFAOYSA-N	0	2	292.295	-0.954	20	30		CBEDLN
Cn1nnc(NS(=O)(=O)c2ccsc2C#N)n1	ZINC001434613483	910287128	/nfs/dbraw/zinc/28/71/28/910287128.db2.gz	ROOPVIJDJSCQCI-UHFFFAOYSA-N	0	2	270.299	-0.056	20	30		CBEDLN
C[C@H](O)[C@H]1CCCN(c2[nH]c(=O)n(C)c(=O)c2C#N)C1	ZINC001472735902	915762054	/nfs/dbraw/zinc/76/20/54/915762054.db2.gz	SYSXADJPFNXQIQ-IUCAKERBSA-N	0	2	278.312	-0.458	20	30		CBEDLN
CC[C@@H](C[C@@H](C)O)Nc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001472859365	915772055	/nfs/dbraw/zinc/77/20/55/915772055.db2.gz	XJQVUSVEARRWEK-SFYZADRCSA-N	0	2	266.301	-0.093	20	30		CBEDLN
CO[C@@H]1COCC[C@H]1N(C)c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001472865613	915775788	/nfs/dbraw/zinc/77/57/88/915775788.db2.gz	RXDGFFMUECRBCM-NXEZZACHSA-N	0	2	294.311	-0.815	20	30		CBEDLN
Cn1c(=O)[nH]c(NCc2nc(C#N)cs2)c(C#N)c1=O	ZINC001472889896	915776304	/nfs/dbraw/zinc/77/63/04/915776304.db2.gz	FPIKOLJIFLHTAU-UHFFFAOYSA-N	0	2	288.292	-0.114	20	30		CBEDLN
Cn1c(=O)[nH]c(NC[C@@H]2C[C@@H]3COC[C@@H]3O2)c(C#N)c1=O	ZINC001472872332	915776580	/nfs/dbraw/zinc/77/65/80/915776580.db2.gz	ODFLTDNGWSVGPF-WEDXCCLWSA-N	0	2	292.295	-0.839	20	30		CBEDLN
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CC(C)Cn1ncnc1Cn1c(=O)[nH]cc(C#N)c1=O	ZINC000580951686	355002522	/nfs/dbraw/zinc/00/25/22/355002522.db2.gz	IDADSVUCIGIRHZ-UHFFFAOYSA-N	0	2	274.284	-0.296	20	30		CBEDLN
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CCOC(=O)c1cnn(Cc2nc(=O)[nH][nH]2)c1C#N	ZINC000273520197	192184375	/nfs/dbraw/zinc/18/43/75/192184375.db2.gz	WSARLMVLDSPLQC-UHFFFAOYSA-N	0	2	262.229	-0.609	20	30		CBEDLN
CCN1CCOC[C@H]1C(=O)NCc1n[nH]c(=O)[nH]1	ZINC000329224378	220332877	/nfs/dbraw/zinc/33/28/77/220332877.db2.gz	ZOJJBSZBXVUYGT-ZETCQYMHSA-N	0	2	255.278	-0.313	20	30		CBEDLN
Cc1cc(C#N)nc(NCCCc2n[nH]c(=O)[nH]2)n1	ZINC000342826450	419753183	/nfs/dbraw/zinc/75/31/83/419753183.db2.gz	UBBOBDMZAIEEFE-UHFFFAOYSA-N	0	2	259.273	0.525	20	30		CBEDLN
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C#CC[NH+]1CCN(C(=O)C[N@@H+](CCO)[C@H](C)CC)CC1	ZINC000491144239	332155847	/nfs/dbraw/zinc/15/58/47/332155847.db2.gz	HSRJLTQNBGSSSU-CQSZACIVSA-N	0	2	281.400	-0.143	20	30		CBEDLN
CC(C)c1noc(Cn2c(=O)[nH]cc(C#N)c2=O)n1	ZINC000566560740	334655351	/nfs/dbraw/zinc/65/53/51/334655351.db2.gz	FDHOYJARJAONJP-UHFFFAOYSA-N	0	2	261.241	-0.037	20	30		CBEDLN
COCCN(C)S(=O)(=O)Nc1nn(C)cc1C#N	ZINC000566977726	334671718	/nfs/dbraw/zinc/67/17/18/334671718.db2.gz	YLDMLGAPRMQLEZ-UHFFFAOYSA-N	0	2	273.318	-0.473	20	30		CBEDLN
C[C@H](C#N)C(=O)N(CC[NH+]1CCOCC1)CC(=O)[O-]	ZINC000736201939	582199529	/nfs/dbraw/zinc/19/95/29/582199529.db2.gz	LAJFQNVDLPSRTI-SNVBAGLBSA-N	0	2	269.301	-0.609	20	30		CBEDLN
C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCO[C@@H](C(=O)[O-])C1	ZINC000736199183	582199646	/nfs/dbraw/zinc/19/96/46/582199646.db2.gz	HGVWBGIXFKELFZ-NXEZZACHSA-N	0	2	269.301	-0.468	20	30		CBEDLN
C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCO[C@@H](C(=O)[O-])C1	ZINC000736199183	582199647	/nfs/dbraw/zinc/19/96/47/582199647.db2.gz	HGVWBGIXFKELFZ-NXEZZACHSA-N	0	2	269.301	-0.468	20	30		CBEDLN
CC(C)[C@@H](C#N)N1CC[NH+](CC(=O)NCCC(=O)[O-])CC1	ZINC000736348350	582204772	/nfs/dbraw/zinc/20/47/72/582204772.db2.gz	XCUYARMWUSUDTO-GFCCVEGCSA-N	0	2	296.371	-0.257	20	30		CBEDLN
COCCONC(=O)CNC(=O)c1ccc(C#N)cc1	ZINC000748860130	582288957	/nfs/dbraw/zinc/28/89/57/582288957.db2.gz	VGQVUILMECZDAP-UHFFFAOYSA-N	0	2	277.280	-0.018	20	30		CBEDLN
C#CCOCCNC(=O)C[C@@H]1SC(=N)NC1=O	ZINC000753240466	582296607	/nfs/dbraw/zinc/29/66/07/582296607.db2.gz	PSBWTTKFYUQKEB-ZETCQYMHSA-N	0	2	255.299	-0.691	20	30		CBEDLN
C#C[C@@H](CC)NC(=O)Cn1[nH]cc2c(=O)ncnc1-2	ZINC000754374567	582299314	/nfs/dbraw/zinc/29/93/14/582299314.db2.gz	PAQOAIHWRXMVRJ-QMMMGPOBSA-N	0	2	259.269	-0.401	20	30		CBEDLN
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C#C[C@H](NC(=O)C[C@H]1SC(=N)NC1=O)[C@@H]1CCCO1	ZINC000775323261	582352330	/nfs/dbraw/zinc/35/23/30/582352330.db2.gz	CYRPCBBYNKMIOS-XHNCKOQMSA-N	0	2	281.337	-0.160	20	30		CBEDLN
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C=CCOCCNC(=O)C[C@H]1SC(=N)NC1=O	ZINC000781043816	582365090	/nfs/dbraw/zinc/36/50/90/582365090.db2.gz	CXJOHEMIFGPJCP-SSDOTTSWSA-N	0	2	257.315	-0.138	20	30		CBEDLN
Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)CN1CCOCC1=O	ZINC000790783680	582391721	/nfs/dbraw/zinc/39/17/21/582391721.db2.gz	CKXYJMBTOZDLEX-VIFPVBQESA-N	0	2	290.279	-0.830	20	30		CBEDLN
CCOC(=O)c1c[nH]nc1S(=O)(=O)O[C@H]1CNOC1	ZINC000809381051	582445586	/nfs/dbraw/zinc/44/55/86/582445586.db2.gz	HVSBFUXBPWNNPR-LURJTMIESA-N	0	2	291.285	-0.805	20	30		CBEDLN
CC1(C)C[C@]1(C#N)NC(=O)Cn1[nH]cc2c(=O)ncnc1-2	ZINC000813300935	582454169	/nfs/dbraw/zinc/45/41/69/582454169.db2.gz	QOEITXWTXZMRIM-CYBMUJFWSA-N	0	2	286.295	-0.120	20	30		CBEDLN
C#CCN1CCN(C(=O)C[N@@H+](C)[C@H](C)C(=O)[O-])CC1	ZINC000817668469	582492230	/nfs/dbraw/zinc/49/22/30/582492230.db2.gz	AQHMSZLETBFTSW-LLVKDONJSA-N	0	2	267.329	-0.831	20	30		CBEDLN
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CCn1cc(-c2nn[nH]n2)c(=O)n(CCCCC#N)c1=O	ZINC000821565426	582611225	/nfs/dbraw/zinc/61/12/25/582611225.db2.gz	SEWGAOGTGJUVSR-UHFFFAOYSA-N	0	2	289.299	-0.096	20	30		CBEDLN
C#CC[NH+]1CCN(C(=O)C[C@@H](C)NC(=O)[O-])CC1	ZINC000823451263	582669459	/nfs/dbraw/zinc/66/94/59/582669459.db2.gz	RBEUSKCFPWHAFS-SNVBAGLBSA-N	0	2	253.302	-0.190	20	30		CBEDLN
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C#CCN1CCN(C(=O)C[N@H+](CC)CC(=O)[O-])CC1	ZINC000825618481	582742111	/nfs/dbraw/zinc/74/21/11/582742111.db2.gz	CIJWOHBUWDWJLP-UHFFFAOYSA-N	0	2	267.329	-0.830	20	30		CBEDLN
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C#CCC[NH+]1CCN(S(=O)(=O)C[C@H](C)C(=O)[O-])CC1	ZINC000825608724	582742209	/nfs/dbraw/zinc/74/22/09/582742209.db2.gz	ICZXEHKWKUGNMG-NSHDSACASA-N	0	2	288.369	-0.322	20	30		CBEDLN
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C=CC[NH+]1CC(N(C)C(=O)c2cnc([O-])n(C)c2=O)C1	ZINC001043507574	801569522	/nfs/dbraw/zinc/56/95/22/801569522.db2.gz	UMUKOIHHRSYSDL-UHFFFAOYSA-N	0	2	278.312	-0.572	20	30		CBEDLN
C[C@H](C#N)C(=O)N(CCO)CCNC(=O)c1[nH]ncc1F	ZINC001058656566	802559768	/nfs/dbraw/zinc/55/97/68/802559768.db2.gz	GHRPLYJCLONNJA-MRVPVSSYSA-N	0	2	297.290	-0.741	20	30		CBEDLN
Cc1nc2cc[nH]n2c(=O)c1CC(=O)NCCC#N	ZINC001322260938	803882539	/nfs/dbraw/zinc/88/25/39/803882539.db2.gz	IHWVTXCFDNZWNP-UHFFFAOYSA-N	0	2	259.269	-0.097	20	30		CBEDLN
C=CCCC(=O)NC[C@]1(O)CC[N@H+](Cc2n[nH]c(=O)[n-]2)C1	ZINC001325071200	804232513	/nfs/dbraw/zinc/23/25/13/804232513.db2.gz	VBSWWWGSCKNQSB-CYBMUJFWSA-N	0	2	295.343	-0.471	20	30		CBEDLN
C=CCCC(=O)NC[C@]1(O)CC[N@@H+](Cc2n[nH]c(=O)[n-]2)C1	ZINC001325071200	804232520	/nfs/dbraw/zinc/23/25/20/804232520.db2.gz	VBSWWWGSCKNQSB-CYBMUJFWSA-N	0	2	295.343	-0.471	20	30		CBEDLN
C=C[C@](C)(O)CC(=O)N1CCN(Cc2n[nH]c(=O)[nH]2)CC1	ZINC001112814867	811600546	/nfs/dbraw/zinc/60/05/46/811600546.db2.gz	XBMGQVJAXJCXPZ-ZDUSSCGKSA-N	0	2	295.343	-0.518	20	30		CBEDLN
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C=CCCn1cc(C(=O)NCc2n[nH]c(=O)[nH]2)nn1	ZINC001118090190	812469967	/nfs/dbraw/zinc/46/99/67/812469967.db2.gz	DWYIRXKAVFOWRE-UHFFFAOYSA-N	0	2	263.261	-0.392	20	30		CBEDLN
C[C@@H]1CN(c2[nH]c(=O)n(C)c(=O)c2C#N)CCC1=O	ZINC001120837003	813022921	/nfs/dbraw/zinc/02/29/21/813022921.db2.gz	SVXCDWWWLDJGKA-SSDOTTSWSA-N	0	2	262.269	-0.639	20	30		CBEDLN
C#C[C@@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)C1CCOCC1	ZINC001120863329	813024961	/nfs/dbraw/zinc/02/49/61/813024961.db2.gz	SOHCLPHTPFNLJE-LLVKDONJSA-N	0	2	288.307	-0.214	20	30		CBEDLN
C#CC[C@@H]1CCN(c2[nH]c(=O)n(C)c(=O)c2C#N)C1	ZINC001120871604	813025423	/nfs/dbraw/zinc/02/54/23/813025423.db2.gz	UJNCRFIPDKMOLA-SECBINFHSA-N	0	2	258.281	-0.205	20	30		CBEDLN
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Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)[C@@H]1CCC(=O)N1C	ZINC001122815271	813190755	/nfs/dbraw/zinc/19/07/55/813190755.db2.gz	BAKWVJYPWNPJQD-BDAKNGLRSA-N	0	2	274.280	-0.068	20	30		CBEDLN
Cc1ncc(CO)c(C(=O)n2nc(N)c(C#N)c2N)c1O	ZINC001147833130	814917491	/nfs/dbraw/zinc/91/74/91/814917491.db2.gz	DYOJYUTXEQKWHM-UHFFFAOYSA-N	0	2	288.267	-0.491	20	30		CBEDLN
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N#C[C@H](CO)NC(=O)c1ccc([N+](=O)[O-])cc1O	ZINC001297880156	816654050	/nfs/dbraw/zinc/65/40/50/816654050.db2.gz	JNLPPTPYDUDQTR-ZCFIWIBFSA-N	0	2	251.198	-0.085	20	30		CBEDLN
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CC(C)[C@H](CO)CNc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001307112787	816797094	/nfs/dbraw/zinc/79/70/94/816797094.db2.gz	WLMXAADEVNOSKR-QMMMGPOBSA-N	0	2	266.301	-0.378	20	30		CBEDLN
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CCOC(=O)[C@H](C#N)NS(=O)(=O)c1nccs1	ZINC001187918077	822309296	/nfs/dbraw/zinc/30/92/96/822309296.db2.gz	QQWFMBLVYVKTDW-LURJTMIESA-N	0	2	275.311	-0.123	20	30		CBEDLN
CCOC(=O)C(C#N)NS(=O)(=O)c1c[nH]cn1	ZINC001187786043	822296722	/nfs/dbraw/zinc/29/67/22/822296722.db2.gz	MWXXDKHXAGHPFP-LURJTMIESA-N	0	2	258.259	-0.857	20	30		CBEDLN
CCOC(=O)[C@H](C#N)NS(=O)(=O)c1c[nH]cn1	ZINC001187786043	822296728	/nfs/dbraw/zinc/29/67/28/822296728.db2.gz	MWXXDKHXAGHPFP-LURJTMIESA-N	0	2	258.259	-0.857	20	30		CBEDLN
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CCOC(=O)[C@@H](C#N)NS(=O)(=O)c1ccncc1	ZINC001190916600	823862392	/nfs/dbraw/zinc/86/23/92/823862392.db2.gz	XLRFKLZFYAVFGU-SECBINFHSA-N	0	2	269.282	-0.185	20	30		CBEDLN
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C[C@@H](O)[C@H](NS(=O)(=O)[C@H](C)C#N)C(=O)OC(C)(C)C	ZINC001193173776	824012163	/nfs/dbraw/zinc/01/21/63/824012163.db2.gz	TYZZFULQCDJPHH-HLTSFMKQSA-N	0	2	292.357	-0.091	20	30		CBEDLN
C=CCCC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[nH]2)C[C@H]1OC	ZINC001211999463	824496178	/nfs/dbraw/zinc/49/61/78/824496178.db2.gz	MICKEPUXUDOACX-NXEZZACHSA-N	0	2	295.343	-0.208	20	30		CBEDLN
CC#CCO[C@H](C[NH+]1CCOCC1)CS(=O)(=O)[O-]	ZINC001224357084	825239165	/nfs/dbraw/zinc/23/91/65/825239165.db2.gz	JRWIJICTMLDPSX-LLVKDONJSA-N	0	2	277.342	-0.385	20	30		CBEDLN
CN(C[C@H]1CCN1Cc1n[nH]c(=O)[nH]1)C(=O)C#CC1CC1	ZINC001234179482	825453086	/nfs/dbraw/zinc/45/30/86/825453086.db2.gz	VPLWFRQDDIGOSY-LLVKDONJSA-N	0	2	289.339	-0.044	20	30		CBEDLN
COC(=O)[C@@H](O)C[N@@H+]1CC[C@@H]2SC(=O)C=C2C1	ZINC001252415371	825843700	/nfs/dbraw/zinc/84/37/00/825843700.db2.gz	OUFKYPRPDMCSMO-IUCAKERBSA-N	0	2	257.311	-0.206	20	30		CBEDLN
C=CCOC[C@H](O)C[NH2+][C@@H](CCC(=O)[O-])C(=O)OC	ZINC001252485196	825870831	/nfs/dbraw/zinc/87/08/31/825870831.db2.gz	BRVDSTZHCDAVNQ-ZJUUUORDSA-N	0	2	275.301	-0.454	20	30		CBEDLN
Cn1c(=O)[nH]c(N2CCSCC2)c(C#N)c1=O	ZINC001262679456	826722298	/nfs/dbraw/zinc/72/22/98/826722298.db2.gz	POFXBQQFHAJLBD-UHFFFAOYSA-N	0	2	252.299	-0.502	20	30		CBEDLN
C#CCCN(CCOC)c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001262702896	826724502	/nfs/dbraw/zinc/72/45/02/826724502.db2.gz	NONQVQFRCOFXPE-UHFFFAOYSA-N	0	2	276.296	-0.579	20	30		CBEDLN
C#CCO[C@H](C)C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[nH]2)C1	ZINC001267724181	827208548	/nfs/dbraw/zinc/20/85/48/827208548.db2.gz	RDWQDNNGJRXWIY-ZJUUUORDSA-N	0	2	293.327	-0.761	20	30		CBEDLN
C=C[C@](C)(O)CC(=O)NCC1CN(Cc2n[nH]c(=O)[nH]2)C1	ZINC001268822093	827425476	/nfs/dbraw/zinc/42/54/76/827425476.db2.gz	DGDJTWDMTQMDMQ-ZDUSSCGKSA-N	0	2	295.343	-0.615	20	30		CBEDLN
C#CCO[C@@H](C)C(=O)N(C)CC[N@H+](C)Cc1n[nH]c(=O)[n-]1	ZINC001272013733	827750376	/nfs/dbraw/zinc/75/03/76/827750376.db2.gz	RONVLHHSNJHLQH-JTQLQIEISA-N	0	2	295.343	-0.561	20	30		CBEDLN
C#CCO[C@@H](C)C(=O)N(C)CC[N@@H+](C)Cc1n[nH]c(=O)[n-]1	ZINC001272013733	827750381	/nfs/dbraw/zinc/75/03/81/827750381.db2.gz	RONVLHHSNJHLQH-JTQLQIEISA-N	0	2	295.343	-0.561	20	30		CBEDLN
C#CCN1CC(O)(CNC(=O)C(F)C(F)(F)F)C1	ZINC001278868009	828301322	/nfs/dbraw/zinc/30/13/22/828301322.db2.gz	JZKWYRIVTTZQBZ-ZETCQYMHSA-N	0	2	268.210	-0.317	20	30		CBEDLN
C#CCN1CC(O)(CNC(=O)[C@H](F)C(F)(F)F)C1	ZINC001278868009	828301331	/nfs/dbraw/zinc/30/13/31/828301331.db2.gz	JZKWYRIVTTZQBZ-ZETCQYMHSA-N	0	2	268.210	-0.317	20	30		CBEDLN
C[C@@H]1C[C@H](Nc2[nH]c(=O)n(C)c(=O)c2C#N)[C@@H](C)O1	ZINC001336691915	888849285	/nfs/dbraw/zinc/84/92/85/888849285.db2.gz	HJDPHVIMTRTQKC-BHNWBGBOSA-N	0	2	264.285	-0.077	20	30		CBEDLN
CO[C@H]1CC[C@@H]1N(C)c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001337285065	888987202	/nfs/dbraw/zinc/98/72/02/888987202.db2.gz	PFKNGZLBBXXYJN-IUCAKERBSA-N	0	2	264.285	-0.441	20	30		CBEDLN
CC#CC(=O)NCCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-]	ZINC001179756730	884709062	/nfs/dbraw/zinc/70/90/62/884709062.db2.gz	TVQUMMYFTHQUOZ-JTQLQIEISA-N	0	2	292.295	-0.949	20	30		CBEDLN
CC#CC(=O)NCCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-]	ZINC001179756730	884709071	/nfs/dbraw/zinc/70/90/71/884709071.db2.gz	TVQUMMYFTHQUOZ-JTQLQIEISA-N	0	2	292.295	-0.949	20	30		CBEDLN
C=C(C)C[C@@H](NC(C)=O)C(=O)NCc1n[nH]c(=O)[nH]1	ZINC001328495157	885705122	/nfs/dbraw/zinc/70/51/22/885705122.db2.gz	ZHVIHHJXJCJARW-MRVPVSSYSA-N	0	2	267.289	-0.403	20	30		CBEDLN
C[C@@H](C#N)NC(=O)c1ccc(-n2[nH]c(=O)[nH]c2=O)cc1	ZINC001447722548	913111168	/nfs/dbraw/zinc/11/11/68/913111168.db2.gz	BZKFDORMFTZDAV-ZETCQYMHSA-N	0	2	273.252	-0.092	20	30		CBEDLN
C[C@H]1OCCN(c2[nH]c(=O)n(C)c(=O)c2C#N)[C@@H]1C	ZINC001336561631	888794307	/nfs/dbraw/zinc/79/43/07/888794307.db2.gz	ROCDAJPFTSLFRD-HTQZYQBOSA-N	0	2	264.285	-0.441	20	30		CBEDLN
Cn1c(=O)[nH]c(NC[C@@H]2CCOC2)c(C#N)c1=O	ZINC001337726569	889070918	/nfs/dbraw/zinc/07/09/18/889070918.db2.gz	LQIUAXPOGDSNBM-ZETCQYMHSA-N	0	2	250.258	-0.606	20	30		CBEDLN
CO[C@@]1(C)C[C@H]1Nc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001338043121	889109890	/nfs/dbraw/zinc/10/98/90/889109890.db2.gz	NYGYSTHTECRKER-HQJQHLMTSA-N	0	2	250.258	-0.465	20	30		CBEDLN
CCN(CCOC)c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001339547346	889290127	/nfs/dbraw/zinc/29/01/27/889290127.db2.gz	PFPVOZPULGMZCZ-UHFFFAOYSA-N	0	2	252.274	-0.582	20	30		CBEDLN
CO[C@@H]1CC[C@@H](Nc2[nH]c(=O)n(C)c(=O)c2C#N)C1	ZINC001354170507	891525706	/nfs/dbraw/zinc/52/57/06/891525706.db2.gz	CUTZJWJXSWMWKU-HTQZYQBOSA-N	0	2	264.285	-0.075	20	30		CBEDLN
COCC1(Nc2[nH]c(=O)n(C)c(=O)c2C#N)CC1	ZINC001354183942	891529270	/nfs/dbraw/zinc/52/92/70/891529270.db2.gz	LEJCDBTYZIWCAA-UHFFFAOYSA-N	0	2	250.258	-0.464	20	30		CBEDLN
C[C@H]1COC[C@@H]1Nc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001354267372	891551739	/nfs/dbraw/zinc/55/17/39/891551739.db2.gz	IZZLHMWNYYSMJU-XPUUQOCRSA-N	0	2	250.258	-0.608	20	30		CBEDLN
CCOC(=O)C[C@H](C)Nc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001363140777	893395821	/nfs/dbraw/zinc/39/58/21/893395821.db2.gz	GMWYVIPZUXZPGX-ZETCQYMHSA-N	0	2	280.284	-0.301	20	30		CBEDLN
Cn1c(=O)[nH]c(N[C@H]2CC(C)(C)OC2=O)c(C#N)c1=O	ZINC001363147022	893408178	/nfs/dbraw/zinc/40/81/78/893408178.db2.gz	GRISVZCYGJUSJN-ZETCQYMHSA-N	0	2	278.268	-0.549	20	30		CBEDLN
Cn1c(=O)[nH]c(N[C@@H](CO)[C@@H]2CCCOC2)c(C#N)c1=O	ZINC001363150744	893409975	/nfs/dbraw/zinc/40/99/75/893409975.db2.gz	HGVFDLVRCYFITM-SCZZXKLOSA-N	0	2	294.311	-0.855	20	30		CBEDLN
CCn1ncc(CNc2[nH]c(=O)n(C)c(=O)c2C#N)n1	ZINC001363154221	893412889	/nfs/dbraw/zinc/41/28/89/893412889.db2.gz	MNCCUEHEVJNYQI-UHFFFAOYSA-N	0	2	275.272	-0.831	20	30		CBEDLN
N#Cc1ccc(C(=O)NC[C@@]2(CO)COCCN2)cc1O	ZINC001363600625	893837697	/nfs/dbraw/zinc/83/76/97/893837697.db2.gz	PSNVKAQRYAHCJP-CQSZACIVSA-N	0	2	291.307	-0.655	20	30		CBEDLN
C[C@H](CC#N)C(=O)NCc1nnc(CS(C)(=O)=O)[nH]1	ZINC001363703242	893926395	/nfs/dbraw/zinc/92/63/95/893926395.db2.gz	LQYWUXROGOVWJP-SSDOTTSWSA-N	0	2	285.329	-0.485	20	30		CBEDLN
CCC[C@@]1(CO)CCN(c2[nH]c(=O)n(C)c(=O)c2C#N)C1	ZINC001363729477	893947376	/nfs/dbraw/zinc/94/73/76/893947376.db2.gz	JFODOGXCPOHSRS-CQSZACIVSA-N	0	2	292.339	-0.066	20	30		CBEDLN
Cn1c(=O)[nH]c(N2CC[C@H](O)CC(C)(C)C2)c(C#N)c1=O	ZINC001363737268	893952446	/nfs/dbraw/zinc/95/24/46/893952446.db2.gz	XFTQCUBRVBSKFX-VIFPVBQESA-N	0	2	292.339	-0.067	20	30		CBEDLN
CO[C@@H]1CCOC[C@H]1Nc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001363751564	893964162	/nfs/dbraw/zinc/96/41/62/893964162.db2.gz	SSGZPSOTGIXBSV-RKDXNWHRSA-N	0	2	280.284	-0.839	20	30		CBEDLN
COC(=O)[C@]1(NS(=O)(=O)CC(C)(C)C#N)CCOC1	ZINC001363956149	894114501	/nfs/dbraw/zinc/11/45/01/894114501.db2.gz	STYAGAFANLWHOE-NSHDSACASA-N	0	2	290.341	-0.212	20	30		CBEDLN
C[C@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)c1nccn1C	ZINC001364224521	894265041	/nfs/dbraw/zinc/26/50/41/894265041.db2.gz	CWXHJSJODSKYFB-ZETCQYMHSA-N	0	2	274.284	-0.148	20	30		CBEDLN
Cn1c(=O)[nH]c(N2CCC(C(C)(C)O)CC2)c(C#N)c1=O	ZINC001364228424	894268839	/nfs/dbraw/zinc/26/88/39/894268839.db2.gz	CZCBVSPRGGYNHK-UHFFFAOYSA-N	0	2	292.339	-0.067	20	30		CBEDLN
CC(C)(C#N)C(=O)NCc1nnc(CS(C)(=O)=O)[nH]1	ZINC001364285651	894308848	/nfs/dbraw/zinc/30/88/48/894308848.db2.gz	OJPVJTYMAOPRLI-UHFFFAOYSA-N	0	2	285.329	-0.485	20	30		CBEDLN
Cc1cc(CNc2[nH]c(=O)n(C)c(=O)c2C#N)cc(=O)[nH]1	ZINC001365228097	894833357	/nfs/dbraw/zinc/83/33/57/894833357.db2.gz	ANCHJKXDESUTKU-UHFFFAOYSA-N	0	2	287.279	-0.034	20	30		CBEDLN
C[C@@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)c1csnn1	ZINC001365228852	894834963	/nfs/dbraw/zinc/83/49/63/894834963.db2.gz	ITRDCNPJWKPHDU-RXMQYKEDSA-N	0	2	278.297	-0.030	20	30		CBEDLN
CN(c1[nH]c(=O)n(C)c(=O)c1C#N)[C@H]1CCC(=O)N(C)C1	ZINC001365239838	894839333	/nfs/dbraw/zinc/83/93/33/894839333.db2.gz	OUAAZNDGOPNSOY-QMMMGPOBSA-N	0	2	291.311	-0.998	20	30		CBEDLN
Cn1c(=O)[nH]c(N2CCC[C@H]2C2OCCO2)c(C#N)c1=O	ZINC001365241309	894840374	/nfs/dbraw/zinc/84/03/74/894840374.db2.gz	GDBZVFWFXUBWKN-VIFPVBQESA-N	0	2	292.295	-0.713	20	30		CBEDLN
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC[N@@H+](C)[C@H](CO)C1	ZINC001454664283	914241437	/nfs/dbraw/zinc/24/14/37/914241437.db2.gz	PTBIZGRSIHPTRZ-NSHDSACASA-N	0	2	290.323	-0.284	20	30		CBEDLN
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC[N@H+](C)[C@H](CO)C1	ZINC001454664283	914241443	/nfs/dbraw/zinc/24/14/43/914241443.db2.gz	PTBIZGRSIHPTRZ-NSHDSACASA-N	0	2	290.323	-0.284	20	30		CBEDLN
C[C@@H](CNc1[n-]c(=O)n(C)c(=O)c1C#N)Cn1cc[nH+]c1	ZINC001458104367	914626485	/nfs/dbraw/zinc/62/64/85/914626485.db2.gz	FXZUTXAAIGOKHT-VIFPVBQESA-N	0	2	288.311	-0.110	20	30		CBEDLN
Cn1c(=O)[nH]c(NC[C@@H](O)C2CC2)c(C#N)c1=O	ZINC001458164289	914631686	/nfs/dbraw/zinc/63/16/86/914631686.db2.gz	IMRIZXHXBPGZIT-MRVPVSSYSA-N	0	2	250.258	-0.872	20	30		CBEDLN
Cn1c(=O)[nH]c(N[C@@H](CO)CC2CCC2)c(C#N)c1=O	ZINC001458393450	914648720	/nfs/dbraw/zinc/64/87/20/914648720.db2.gz	QODPHUQTOBCYLJ-SECBINFHSA-N	0	2	278.312	-0.092	20	30		CBEDLN
C[C@@H]1CN(c2[nH]c(=O)n(C)c(=O)c2C#N)C[C@H](C)[C@H]1O	ZINC001458477996	914655078	/nfs/dbraw/zinc/65/50/78/914655078.db2.gz	XHAMPAJBVOEHDT-MBTKJCJQSA-N	0	2	278.312	-0.602	20	30		CBEDLN
CC(C)[C@H](CO)Nc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001458731387	914675072	/nfs/dbraw/zinc/67/50/72/914675072.db2.gz	RFNGQYOBKDMKEE-QMMMGPOBSA-N	0	2	252.274	-0.626	20	30		CBEDLN
Cn1c(=O)[nH]c(N[C@H]2CCc3c[nH]nc3C2)c(C#N)c1=O	ZINC001412876088	904778062	/nfs/dbraw/zinc/77/80/62/904778062.db2.gz	GOKKSEVKWRDTEU-QMMMGPOBSA-N	0	2	286.295	-0.362	20	30		CBEDLN
CCN(C)C(=O)[C@H](C)Nc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001412887616	904786386	/nfs/dbraw/zinc/78/63/86/904786386.db2.gz	VWYUIXOHXHADNE-ZETCQYMHSA-N	0	2	279.300	-0.776	20	30		CBEDLN
Cn1c(=O)[nH]c(NCc2ncc3c(n2)CCC3)c(C#N)c1=O	ZINC001412897762	904788623	/nfs/dbraw/zinc/78/86/23/904788623.db2.gz	PXOXBYTVMANYNR-UHFFFAOYSA-N	0	2	298.306	-0.164	20	30		CBEDLN
Cn1c(=O)[nH]c(NC[C@]2(C)CCC(=O)N2)c(C#N)c1=O	ZINC001412904640	904793914	/nfs/dbraw/zinc/79/39/14/904793914.db2.gz	XNVWZAZZTDPRLH-LBPRGKRZSA-N	0	2	277.284	-0.974	20	30		CBEDLN
Cn1c(=O)[nH]c(NCc2cnn(CCF)c2)c(C#N)c1=O	ZINC001412919705	904799720	/nfs/dbraw/zinc/79/97/20/904799720.db2.gz	DFDTZTYSEVZGSO-UHFFFAOYSA-N	0	2	292.274	-0.277	20	30		CBEDLN
CNC(=O)C(C)(C)CNc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001413886437	905255834	/nfs/dbraw/zinc/25/58/34/905255834.db2.gz	XEDLVMWKXJXCPP-UHFFFAOYSA-N	0	2	279.300	-0.871	20	30		CBEDLN
C[C@@H](CO)C1CCN(c2[nH]c(=O)n(C)c(=O)c2C#N)CC1	ZINC001413893757	905259314	/nfs/dbraw/zinc/25/93/14/905259314.db2.gz	UWHILYMNEMDPOE-VIFPVBQESA-N	0	2	292.339	-0.210	20	30		CBEDLN
C[C@H]1C[C@@H](CO)CN(c2[nH]c(=O)n(C)c(=O)c2C#N)C1	ZINC001413892613	905259579	/nfs/dbraw/zinc/25/95/79/905259579.db2.gz	JTCQNKVIKQHXEQ-DTWKUNHWSA-N	0	2	278.312	-0.600	20	30		CBEDLN
Cc1cncc(CCNc2[nH]c(=O)n(C)c(=O)c2C#N)n1	ZINC001413899295	905263839	/nfs/dbraw/zinc/26/38/39/905263839.db2.gz	CGUPLPXHUUTBEI-UHFFFAOYSA-N	0	2	286.295	-0.302	20	30		CBEDLN
Cn1c(=O)[nH]c(N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)c(C#N)c1=O	ZINC001413918494	905273866	/nfs/dbraw/zinc/27/38/66/905273866.db2.gz	HUXRGFNSVMFADG-JSKNTUGKSA-N	0	2	274.280	-0.467	20	30		CBEDLN
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Cn1c(=O)[nH]c(N2CCCC3(C2)OCCO3)c(C#N)c1=O	ZINC001421089907	907423681	/nfs/dbraw/zinc/42/36/81/907423681.db2.gz	RCGZIPBBGFLDSS-UHFFFAOYSA-N	0	2	292.295	-0.711	20	30		CBEDLN
C[C@@H](CO)N(CC1CCC1)c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001421122687	907438256	/nfs/dbraw/zinc/43/82/56/907438256.db2.gz	QXECSOHBNBTGIA-VIFPVBQESA-N	0	2	292.339	-0.067	20	30		CBEDLN
CC(C)c1nnc(CNc2[nH]c(=O)n(C)c(=O)c2C#N)[nH]1	ZINC001421126695	907439892	/nfs/dbraw/zinc/43/98/92/907439892.db2.gz	VYIOZWLQWYPMHY-UHFFFAOYSA-N	0	2	289.299	-0.201	20	30		CBEDLN
Cn1c(=O)[nH]c(NC[C@@H](O)C(F)(F)F)c(C#N)c1=O	ZINC001421134551	907443906	/nfs/dbraw/zinc/44/39/06/907443906.db2.gz	ZJGJDECSFIMYOA-RXMQYKEDSA-N	0	2	278.190	-0.720	20	30		CBEDLN
C[C@H]1CCCN(c2[nH]c(=O)n(C)c(=O)c2C#N)[C@H]1CCO	ZINC001421191152	907455904	/nfs/dbraw/zinc/45/59/04/907455904.db2.gz	ODOMNRBJUCJMDN-ONGXEEELSA-N	0	2	292.339	-0.067	20	30		CBEDLN
N#Cc1c[nH]c(=O)n(CC(=O)NCc2ccccc2)c1=O	ZINC001421409089	907531096	/nfs/dbraw/zinc/53/10/96/907531096.db2.gz	LRWUCQGOLRHDTL-UHFFFAOYSA-N	0	2	284.275	-0.275	20	30		CBEDLN
C[C@H](C#N)C(=O)N[C@@H](C)CNC(=O)c1[nH]ncc1F	ZINC001505403327	921422072	/nfs/dbraw/zinc/42/20/72/921422072.db2.gz	VTIJKJMWUXUQNJ-RQJHMYQMSA-N	0	2	267.264	-0.057	20	30		CBEDLN
COC(=O)[C@@H](C)CN(C)c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001434442060	910186096	/nfs/dbraw/zinc/18/60/96/910186096.db2.gz	MARFHLXXMPHWTQ-ZETCQYMHSA-N	0	2	280.284	-0.809	20	30		CBEDLN
C#CCN(C)C(=O)NCc1nnc(CS(C)(=O)=O)[nH]1	ZINC001471447953	915585591	/nfs/dbraw/zinc/58/55/91/915585591.db2.gz	LKUYXSGYQGOEOK-UHFFFAOYSA-N	0	2	285.329	-0.876	20	30		CBEDLN
C[C@@H](O)[C@@H]1CCCN(c2[nH]c(=O)n(C)c(=O)c2C#N)C1	ZINC001472735907	915759459	/nfs/dbraw/zinc/75/94/59/915759459.db2.gz	SYSXADJPFNXQIQ-RKDXNWHRSA-N	0	2	278.312	-0.458	20	30		CBEDLN
C[C@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)c1cnn(C)c1	ZINC001472702898	915760024	/nfs/dbraw/zinc/76/00/24/915760024.db2.gz	GGJMMNYQFRLQGK-ZETCQYMHSA-N	0	2	274.284	-0.148	20	30		CBEDLN
Cc1nnc([C@H](C)Nc2[nH]c(=O)n(C)c(=O)c2C#N)o1	ZINC001472727329	915760086	/nfs/dbraw/zinc/76/00/86/915760086.db2.gz	VXXCWQBPTHUDLD-YFKPBYRVSA-N	0	2	276.256	-0.190	20	30		CBEDLN
C[C@@H](CCNc1[nH]c(=O)n(C)c(=O)c1C#N)[S@@](C)=O	ZINC001472721943	915760303	/nfs/dbraw/zinc/76/03/03/915760303.db2.gz	CMUXWSQHGIHTNW-ZDVLTJLQSA-N	0	2	284.341	-0.486	20	30		CBEDLN
CCn1cnnc1CCNc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001472700464	915760732	/nfs/dbraw/zinc/76/07/32/915760732.db2.gz	PEABMHQIKTUXBR-UHFFFAOYSA-N	0	2	289.299	-0.789	20	30		CBEDLN
Cn1c(=O)[nH]c(N[C@@H](CO)C2CC2)c(C#N)c1=O	ZINC001472701020	915761437	/nfs/dbraw/zinc/76/14/37/915761437.db2.gz	ZMXDUBGWPDLSPA-QMMMGPOBSA-N	0	2	250.258	-0.872	20	30		CBEDLN
Cc1nnc([C@@H](C)Nc2[nH]c(=O)n(C)c(=O)c2C#N)[nH]1	ZINC001472778134	915765022	/nfs/dbraw/zinc/76/50/22/915765022.db2.gz	XXYHHBNFYQHXET-RXMQYKEDSA-N	0	2	275.272	-0.455	20	30		CBEDLN
CCOCCOCCN(C)c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001472760322	915765175	/nfs/dbraw/zinc/76/51/75/915765175.db2.gz	WFOVADMNLNMBKV-UHFFFAOYSA-N	0	2	296.327	-0.565	20	30		CBEDLN
CCc1nnc(CNc2[nH]c(=O)n(C)c(=O)c2C#N)s1	ZINC001472797435	915768561	/nfs/dbraw/zinc/76/85/61/915768561.db2.gz	CGOYQCNLXYCKDA-UHFFFAOYSA-N	0	2	292.324	-0.029	20	30		CBEDLN
C[C@@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)c1cnccn1	ZINC001472819889	915769160	/nfs/dbraw/zinc/76/91/60/915769160.db2.gz	WKHVDDWRNKXWDE-SSDOTTSWSA-N	0	2	272.268	-0.092	20	30		CBEDLN
Cn1c(=O)[nH]c(N[C@@H]2CCC[C@H]2O)c(C#N)c1=O	ZINC001472799734	915770080	/nfs/dbraw/zinc/77/00/80/915770080.db2.gz	GLJUWGBRFUBIEB-HTQZYQBOSA-N	0	2	250.258	-0.729	20	30		CBEDLN
Cn1c(=O)[nH]c(NC[C@H]2C[C@@H]3COC[C@@H]3O2)c(C#N)c1=O	ZINC001472872330	915776935	/nfs/dbraw/zinc/77/69/35/915776935.db2.gz	ODFLTDNGWSVGPF-MRTMQBJTSA-N	0	2	292.295	-0.839	20	30		CBEDLN
C#CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1[nH]nc(C)c1[O-]	ZINC001486332608	918435974	/nfs/dbraw/zinc/43/59/74/918435974.db2.gz	VJMHIIUQCVOQFJ-LLVKDONJSA-N	0	2	294.355	-0.188	20	30		CBEDLN
C#CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)c1[nH]nc(C)c1[O-]	ZINC001486332608	918435990	/nfs/dbraw/zinc/43/59/90/918435990.db2.gz	VJMHIIUQCVOQFJ-LLVKDONJSA-N	0	2	294.355	-0.188	20	30		CBEDLN
O=C(NC1=NC(=O)CN1)c1ccc2[nH]c(=O)[nH]c2c1	ZINC000056214146	351546801	/nfs/dbraw/zinc/54/68/01/351546801.db2.gz	ODOVGOMTUUXDHA-UHFFFAOYSA-N	0	2	259.225	-0.353	20	30		CBEDLN
C=CCCS(=O)(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-]	ZINC000274872900	352547272	/nfs/dbraw/zinc/54/72/72/352547272.db2.gz	AXGJDLSYXCDBST-VIFPVBQESA-N	0	2	273.314	-0.099	20	30		CBEDLN
C=CCCS(=O)(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-]	ZINC000274872900	352547274	/nfs/dbraw/zinc/54/72/74/352547274.db2.gz	AXGJDLSYXCDBST-VIFPVBQESA-N	0	2	273.314	-0.099	20	30		CBEDLN
COCc1nsc(NCCn2cnc(C#N)n2)n1	ZINC000343517774	353276849	/nfs/dbraw/zinc/27/68/49/353276849.db2.gz	FRBNRYHSSZZSCO-UHFFFAOYSA-N	0	2	265.302	-0.318	20	30		CBEDLN
Cn1ncc2c1[nH]cc(C(=O)NCC(=O)NCC#N)c2=O	ZINC000344168207	353303678	/nfs/dbraw/zinc/30/36/78/353303678.db2.gz	FQDCCUKMRGGERZ-UHFFFAOYSA-N	0	2	288.267	-0.957	20	30		CBEDLN
CCOC(=O)C(NC(=O)[C@@H](C)C#N)C(=O)OCC	ZINC000344380551	353305511	/nfs/dbraw/zinc/30/55/11/353305511.db2.gz	ZXJXEYNWJIOJON-ZETCQYMHSA-N	0	2	256.258	-0.243	20	30		CBEDLN
CCOC(=O)C(NC(=O)C(C)C#N)C(=O)OCC	ZINC000344380551	353305516	/nfs/dbraw/zinc/30/55/16/353305516.db2.gz	ZXJXEYNWJIOJON-ZETCQYMHSA-N	0	2	256.258	-0.243	20	30		CBEDLN
C=CCN1CC[C@H](n2c(=O)[nH]cc(C#N)c2=O)C1=O	ZINC000574039787	354927334	/nfs/dbraw/zinc/92/73/34/354927334.db2.gz	SGVKFEITWICAMN-VIFPVBQESA-N	0	2	260.253	-0.632	20	30		CBEDLN
CCc1nnc(Cn2c(=O)[nH]cc(C#N)c2=O)s1	ZINC000592354389	355148854	/nfs/dbraw/zinc/14/88/54/355148854.db2.gz	KEAUNQSBQVBKFO-UHFFFAOYSA-N	0	2	263.282	-0.130	20	30		CBEDLN
CO[C@H](Cn1c(=O)[nH]cc(C#N)c1=O)[C@@H]1CCOC1	ZINC000594915369	355268990	/nfs/dbraw/zinc/26/89/90/355268990.db2.gz	ZKCPGWOXQUHDEF-PSASIEDQSA-N	0	2	265.269	-0.540	20	30		CBEDLN
N#Cc1nc(NC(=O)CN2CCN(C3CC3)C2=O)[nH]c1C#N	ZINC000598663004	355449169	/nfs/dbraw/zinc/44/91/69/355449169.db2.gz	JRTYZIRKOGTPQB-UHFFFAOYSA-N	0	2	299.294	-0.008	20	30		CBEDLN
C=C[C@H](O)C(=O)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1	ZINC000614518686	355968093	/nfs/dbraw/zinc/96/80/93/355968093.db2.gz	KGVPKCTXRAGXQR-SFYZADRCSA-N	0	2	252.274	-0.237	20	30		CBEDLN
C=C[C@@H](O)C(=O)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1	ZINC000614518685	355968120	/nfs/dbraw/zinc/96/81/20/355968120.db2.gz	KGVPKCTXRAGXQR-JGVFFNPUSA-N	0	2	252.274	-0.237	20	30		CBEDLN
C=CCn1cc(C(=O)N(C)CC2N=NC(=O)O2)nn1	ZINC000622114930	356307805	/nfs/dbraw/zinc/30/78/05/356307805.db2.gz	BSRRBLYSJUCQBK-UHFFFAOYSA-N	0	2	264.245	-0.175	20	30		CBEDLN
CCCCCNC(=O)Cn1c(=O)[nH]cc(C#N)c1=O	ZINC000514671983	373759450	/nfs/dbraw/zinc/75/94/50/373759450.db2.gz	DWIWEKYVOOKAKJ-UHFFFAOYSA-N	0	2	264.285	-0.285	20	30		CBEDLN
Cn1c(NCC(C)(C)CCO)c(C#N)c(=O)n(C)c1=O	ZINC000266205674	190239819	/nfs/dbraw/zinc/23/98/19/190239819.db2.gz	KRZWJINSUIUACT-UHFFFAOYSA-N	0	2	280.328	-0.224	20	30		CBEDLN
C=CC[C@H](CO)NC(=O)CSc1n[nH]c(=O)[nH]1	ZINC000357672408	220482445	/nfs/dbraw/zinc/48/24/45/220482445.db2.gz	HPYVXTKJRMESEE-ZCFIWIBFSA-N	0	2	258.303	-0.344	20	30		CBEDLN
C=CCn1cc(C(=O)NCCCc2n[nH]c(=O)[nH]2)nn1	ZINC000649212720	419851460	/nfs/dbraw/zinc/85/14/60/419851460.db2.gz	RCGJPXWAMDIHKP-UHFFFAOYSA-N	0	2	277.288	-0.350	20	30		CBEDLN
CCCc1nc(Cn2c(=O)[nH]cc(C#N)c2=O)no1	ZINC000519658210	420386215	/nfs/dbraw/zinc/38/62/15/420386215.db2.gz	ZBCGCIPMKPNRFD-UHFFFAOYSA-N	0	2	261.241	-0.208	20	30		CBEDLN
Cc1cc(N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c(C#N)c[nH+]1	ZINC000424466560	301340268	/nfs/dbraw/zinc/34/02/68/301340268.db2.gz	GTUUMOCUUNPYJL-NSHDSACASA-N	0	2	295.320	-0.050	20	30		CBEDLN
CC(C)(C)n1nnnc1Cn1c(=O)[nH]cc(C#N)c1=O	ZINC000571881623	329927956	/nfs/dbraw/zinc/92/79/56/329927956.db2.gz	VNKOFOPHVBUQFK-UHFFFAOYSA-N	0	2	275.272	-0.802	20	30		CBEDLN
C=CCN(C)S(=O)(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1	ZINC000119058787	330369552	/nfs/dbraw/zinc/36/95/52/330369552.db2.gz	FKORSKPMLAQYSL-UHFFFAOYSA-N	0	2	296.308	-0.582	20	30		CBEDLN
CCO[C@H](C)c1noc(Cn2c(=O)[nH]cc(C#N)c2=O)n1	ZINC000564963995	334531074	/nfs/dbraw/zinc/53/10/74/334531074.db2.gz	RQLZOLXVRFMSOE-SSDOTTSWSA-N	0	2	291.267	-0.063	20	30		CBEDLN
N#Cc1c[nH]c(=O)n(CC(=O)NC2CCCCC2)c1=O	ZINC000566220075	334636695	/nfs/dbraw/zinc/63/66/95/334636695.db2.gz	PIAJLBCNWKXKFI-UHFFFAOYSA-N	0	2	276.296	-0.143	20	30		CBEDLN
COC(=O)C(C)(C)C(=O)Cn1c(=O)[nH]cc(C#N)c1=O	ZINC000578891665	335686397	/nfs/dbraw/zinc/68/63/97/335686397.db2.gz	PWFNKCUQHZQTKQ-UHFFFAOYSA-N	0	2	279.252	-0.823	20	30		CBEDLN
CC(C)OC[C@H](C(=O)[O-])[N@H+](C)CC(=O)NCCC#N	ZINC000827015816	582797867	/nfs/dbraw/zinc/79/78/67/582797867.db2.gz	IOMPSGJOAFJBAV-SNVBAGLBSA-N	0	2	271.317	-0.174	20	30		CBEDLN
CC(C)OC[C@H](C(=O)[O-])[N@@H+](C)CC(=O)NCCC#N	ZINC000827015816	582797868	/nfs/dbraw/zinc/79/78/68/582797868.db2.gz	IOMPSGJOAFJBAV-SNVBAGLBSA-N	0	2	271.317	-0.174	20	30		CBEDLN
C=CCC[C@H](CO)NC(=O)NCC(=O)NOCC	ZINC000845529831	583314298	/nfs/dbraw/zinc/31/42/98/583314298.db2.gz	DDAPWTSYTOAVPK-SECBINFHSA-N	0	2	259.306	-0.320	20	30		CBEDLN
NC(=O)CNC(=S)NN=Cc1ccc(O)c([N+](=O)[O-])c1	ZINC000731929542	582155686	/nfs/dbraw/zinc/15/56/86/582155686.db2.gz	FXOFZDNUWOHGLU-UHFFFAOYSA-N	0	2	297.296	-0.416	20	30		CBEDLN
C=CCNC(=O)CN(CC[NH+]1CCOCC1)CC(=O)[O-]	ZINC000736106827	582197560	/nfs/dbraw/zinc/19/75/60/582197560.db2.gz	MOJZIBDTHASTNU-UHFFFAOYSA-N	0	2	285.344	-0.993	20	30		CBEDLN
CC(C)[C@H](C#N)N1CC[NH+]([C@@H](C)C(=O)NCC(=O)[O-])CC1	ZINC000736348566	582204892	/nfs/dbraw/zinc/20/48/92/582204892.db2.gz	ZHGAQMXONYTPMK-RYUDHWBXSA-N	0	2	296.371	-0.259	20	30		CBEDLN
CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@H](O)C[C@H]1C(=O)[O-]	ZINC000737079205	582233811	/nfs/dbraw/zinc/23/38/11/582233811.db2.gz	ZCKNHHJSOBBGOW-MXWKQRLJSA-N	0	2	283.328	-0.486	20	30		CBEDLN
CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@H](O)C[C@H]1C(=O)[O-]	ZINC000737079205	582233813	/nfs/dbraw/zinc/23/38/13/582233813.db2.gz	ZCKNHHJSOBBGOW-MXWKQRLJSA-N	0	2	283.328	-0.486	20	30		CBEDLN
C#CCN1CCN(C(=O)C[C@H]2SC(=N)NC2=O)CC1	ZINC000742671701	582274789	/nfs/dbraw/zinc/27/47/89/582274789.db2.gz	XCRPKIWWCOXQMD-SECBINFHSA-N	0	2	280.353	-0.680	20	30		CBEDLN
COC(=O)CN(CC#N)C(=O)C[C@H]1SC(=N)NC1=O	ZINC000742692860	582274966	/nfs/dbraw/zinc/27/49/66/582274966.db2.gz	KBLFIVVEWRSFSM-ZCFIWIBFSA-N	0	2	284.297	-0.932	20	30		CBEDLN
COCCN(CCC#N)C(=O)C[C@H]1SC(=N)NC1=O	ZINC000749305745	582289495	/nfs/dbraw/zinc/28/94/95/582289495.db2.gz	SGEFSJIUHZYYNY-MRVPVSSYSA-N	0	2	284.341	-0.068	20	30		CBEDLN
N#Cc1ccc(S(=O)(=O)Nc2cnn(CCO)c2)cn1	ZINC000751272781	582292611	/nfs/dbraw/zinc/29/26/11/582292611.db2.gz	XKXIHPCBIYVKFJ-UHFFFAOYSA-N	0	2	293.308	-0.057	20	30		CBEDLN
N#C[C@@H]1COCCN1C(=O)C[C@H]1SC(=N)NC1=O	ZINC000756953131	582304707	/nfs/dbraw/zinc/30/47/07/582304707.db2.gz	CZBHMRLPYNMDLY-RNFRBKRXSA-N	0	2	268.298	-0.706	20	30		CBEDLN
Cc1cc(O)cc(=O)n1CC(=O)Nc1nc(C#N)c(C#N)[nH]1	ZINC000760135529	582312507	/nfs/dbraw/zinc/31/25/07/582312507.db2.gz	MXYWVJLSPGSLJU-UHFFFAOYSA-N	0	2	298.262	-0.033	20	30		CBEDLN
C[C@H]1CC(NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)=NO1	ZINC000765366031	582326852	/nfs/dbraw/zinc/32/68/52/582326852.db2.gz	CXPYGHODUUFCNV-LURJTMIESA-N	0	2	276.256	-0.690	20	30		CBEDLN
C=CCOc1cccnc1C(=O)NN1CC(=O)NC1=O	ZINC000775604623	582352941	/nfs/dbraw/zinc/35/29/41/582352941.db2.gz	NDXRUPWNGQUCIF-UHFFFAOYSA-N	0	2	276.252	-0.157	20	30		CBEDLN
CC[C@@H](N[NH+]=Cc1c(N)ncnc1OC)C(=O)[O-]	ZINC000793077783	582396938	/nfs/dbraw/zinc/39/69/38/582396938.db2.gz	IMMJETBQVZGESP-SSDOTTSWSA-N	0	2	253.262	-0.146	20	30		CBEDLN
C#CCN(CC#N)C(=O)C[C@@H]1SC(=N)NC1=O	ZINC000799088310	582417882	/nfs/dbraw/zinc/41/78/82/582417882.db2.gz	PQWBNWIBKZRUFM-ZETCQYMHSA-N	0	2	250.283	-0.472	20	30		CBEDLN
C#CCONC(=O)CNC(=O)c1ccc(C#N)cc1	ZINC000812783481	582452886	/nfs/dbraw/zinc/45/28/86/582452886.db2.gz	RDBFDDSCWMNZFR-UHFFFAOYSA-N	0	2	257.249	-0.031	20	30		CBEDLN
C#CCONC(=O)CNC(=O)c1cnc2ccccc2c1O	ZINC000812783105	582452910	/nfs/dbraw/zinc/45/29/10/582452910.db2.gz	YPUVREUWOBEYCX-UHFFFAOYSA-N	0	2	299.286	-0.061	20	30		CBEDLN
CC1(C)C[C@@]1(C#N)NC(=O)Cn1[nH]cc2c(=O)ncnc1-2	ZINC000813300936	582454138	/nfs/dbraw/zinc/45/41/38/582454138.db2.gz	QOEITXWTXZMRIM-ZDUSSCGKSA-N	0	2	286.295	-0.120	20	30		CBEDLN
N#Cc1cncc(S(=O)(=O)NC(=O)CC2OCCO2)c1	ZINC000813978217	582455606	/nfs/dbraw/zinc/45/56/06/582455606.db2.gz	BMODFRJEJOHOGT-UHFFFAOYSA-N	0	2	297.292	-0.479	20	30		CBEDLN
CCCCCNC(=S)NN=C1C(=O)NC(=O)NC1=O	ZINC000814216560	582456032	/nfs/dbraw/zinc/45/60/32/582456032.db2.gz	RCFKIBUABRGTIB-UHFFFAOYSA-N	0	2	285.329	-0.637	20	30		CBEDLN
O=C1NC(=O)C(=NNCCCc2ccccc2)C(=O)N1	ZINC000814220625	582456035	/nfs/dbraw/zinc/45/60/35/582456035.db2.gz	DAAQHIGHMOWRCM-UHFFFAOYSA-N	0	2	274.280	-0.069	20	30		CBEDLN
O=C1NC(=O)C(=NNc2ccc(Cl)nc2)C(=O)N1	ZINC000814222444	582456057	/nfs/dbraw/zinc/45/60/57/582456057.db2.gz	MHUCKOLKRGHPCN-UHFFFAOYSA-N	0	2	267.632	-0.131	20	30		CBEDLN
O=C1NC(=O)C(=NNC[C@@H]2CCSC2)C(=O)N1	ZINC000814228591	582456213	/nfs/dbraw/zinc/45/62/13/582456213.db2.gz	HSTYOKXDWSIQEN-YFKPBYRVSA-N	0	2	256.287	-0.949	20	30		CBEDLN
C=CCN(CCC#N)C(=O)Cn1[nH]cc2c(=O)ncnc1-2	ZINC000816802980	582484771	/nfs/dbraw/zinc/48/47/71/582484771.db2.gz	HKXORINCLMXWJG-UHFFFAOYSA-N	0	2	286.295	-0.001	20	30		CBEDLN
C[C@](C#N)(CC(=O)[O-])C(=O)NCC[NH+]1CCOCC1	ZINC000819836056	582543530	/nfs/dbraw/zinc/54/35/30/582543530.db2.gz	ZZHJINLMWOLGKG-GFCCVEGCSA-N	0	2	269.301	-0.561	20	30		CBEDLN
C[C@@H](CNC(=O)[C@](C)(C#N)CC(=O)[O-])[NH+]1CCOCC1	ZINC000820095264	582551643	/nfs/dbraw/zinc/55/16/43/582551643.db2.gz	BQTIKDVJBDOKPU-GWCFXTLKSA-N	0	2	283.328	-0.172	20	30		CBEDLN
C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820095593	582551956	/nfs/dbraw/zinc/55/19/56/582551956.db2.gz	JCPKLKTVOJSCTB-ZWNOBZJWSA-N	0	2	283.328	-0.172	20	30		CBEDLN
C[C@@H]1C[N@H+](CCNC(=O)[C@](C)(C#N)CC(=O)[O-])CCO1	ZINC000820252108	582560536	/nfs/dbraw/zinc/56/05/36/582560536.db2.gz	ZSUVKHZMQYGILT-MFKMUULPSA-N	0	2	283.328	-0.172	20	30		CBEDLN
C[C@@H]1C[N@@H+](CCNC(=O)[C@](C)(C#N)CC(=O)[O-])CCO1	ZINC000820252108	582560538	/nfs/dbraw/zinc/56/05/38/582560538.db2.gz	ZSUVKHZMQYGILT-MFKMUULPSA-N	0	2	283.328	-0.172	20	30		CBEDLN
NC(=[NH+]OCC(=O)NCC(=O)[O-])c1ccc(F)cc1	ZINC000821345157	582600056	/nfs/dbraw/zinc/60/00/56/582600056.db2.gz	MIEQLNHJFRFLDQ-UHFFFAOYSA-N	0	2	269.232	-0.337	20	30		CBEDLN
N#Cc1nc(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[nH]c1C#N	ZINC000822845995	582649516	/nfs/dbraw/zinc/64/95/16/582649516.db2.gz	MIQXDBTVVDAYHC-UHFFFAOYSA-N	0	2	294.238	-0.086	20	30		CBEDLN
C#CC[NH+]1CCN(C(=O)[C@@H]2CN(C(=O)[O-])CCO2)CC1	ZINC000823451313	582669404	/nfs/dbraw/zinc/66/94/04/582669404.db2.gz	SFWDRNVLGBCXMJ-NSHDSACASA-N	0	2	281.312	-0.857	20	30		CBEDLN
C=CCCOCC(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)[O-]	ZINC000823496968	582671057	/nfs/dbraw/zinc/67/10/57/582671057.db2.gz	UEMPZSXLACNTOW-NSHDSACASA-N	0	2	285.344	-0.011	20	30		CBEDLN
C=CCCOCC(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)[O-]	ZINC000823496968	582671058	/nfs/dbraw/zinc/67/10/58/582671058.db2.gz	UEMPZSXLACNTOW-NSHDSACASA-N	0	2	285.344	-0.011	20	30		CBEDLN
Cn1cc(-c2nn[nH]n2)c(=O)n(CC2(C#N)CC2)c1=O	ZINC000826356325	582767921	/nfs/dbraw/zinc/76/79/21/582767921.db2.gz	LKZFLAFHKFCQNT-UHFFFAOYSA-N	0	2	273.256	-0.969	20	30		CBEDLN
C[N@@H+]1CCN(C(=O)CSCC#N)[C@H](CNC(=O)[O-])C1	ZINC000828500933	582860569	/nfs/dbraw/zinc/86/05/69/582860569.db2.gz	RIDMKHDNPBPGTC-SECBINFHSA-N	0	2	286.357	-0.347	20	30		CBEDLN
C[N@H+]1CCN(C(=O)CSCC#N)[C@H](CNC(=O)[O-])C1	ZINC000828500933	582860570	/nfs/dbraw/zinc/86/05/70/582860570.db2.gz	RIDMKHDNPBPGTC-SECBINFHSA-N	0	2	286.357	-0.347	20	30		CBEDLN
N#Cc1cnn(C(=O)C[NH+]2CCC(NC(=O)[O-])CC2)c1N	ZINC000831161803	582960972	/nfs/dbraw/zinc/96/09/72/582960972.db2.gz	MHPYRLOCYNQTTJ-UHFFFAOYSA-N	0	2	292.299	-0.291	20	30		CBEDLN
N#Cc1c[nH]c(=O)n(C[C@@H]2CC3(CC3)C(=O)O2)c1=O	ZINC000842617517	583187076	/nfs/dbraw/zinc/18/70/76/583187076.db2.gz	UIYPCLHAQAIFRL-QMMMGPOBSA-N	0	2	261.237	-0.496	20	30		CBEDLN
C=C[C@H](C)ONC(=O)CN1C(=O)NC(=O)C1(C)C	ZINC000846546709	583375854	/nfs/dbraw/zinc/37/58/54/583375854.db2.gz	YGASHUKZRGFHGC-ZETCQYMHSA-N	0	2	255.274	-0.061	20	30		CBEDLN
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CC(C)NC(=O)CCNc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001434441551	910185180	/nfs/dbraw/zinc/18/51/80/910185180.db2.gz	ULRRUEWDCSYJER-UHFFFAOYSA-N	0	2	279.300	-0.728	20	30		CBEDLN
C[C@@H](O)C1CCN(c2[nH]c(=O)n(C)c(=O)c2C#N)CC1	ZINC001434446320	910187783	/nfs/dbraw/zinc/18/77/83/910187783.db2.gz	GTKHEBYRKKLEQW-MRVPVSSYSA-N	0	2	278.312	-0.458	20	30		CBEDLN
Cn1c(=O)[nH]c(N[C@H](CO)CC(F)F)c(C#N)c1=O	ZINC001434448128	910191687	/nfs/dbraw/zinc/19/16/87/910191687.db2.gz	XVNKHCHEYSQFON-YFKPBYRVSA-N	0	2	274.227	-0.627	20	30		CBEDLN
C=CCCC(=O)NCc1nnc(CS(C)(=O)=O)[nH]1	ZINC001472081459	915687683	/nfs/dbraw/zinc/68/76/83/915687683.db2.gz	AWSWBJCQQGUCAH-UHFFFAOYSA-N	0	2	272.330	-0.068	20	30		CBEDLN
CCCOC(=O)CCNc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001472688178	915759884	/nfs/dbraw/zinc/75/98/84/915759884.db2.gz	UIADKKLQAWYJDP-UHFFFAOYSA-N	0	2	280.284	-0.300	20	30		CBEDLN
CCOC1CC(O)(CNc2[nH]c(=O)n(C)c(=O)c2C#N)C1	ZINC001472770391	915763672	/nfs/dbraw/zinc/76/36/72/915763672.db2.gz	LSMUCPOINMQRER-UHFFFAOYSA-N	0	2	294.311	-0.713	20	30		CBEDLN
CCN1C[C@H](CNc2[nH]c(=O)n(C)c(=O)c2C#N)CC1=O	ZINC001472824125	915767294	/nfs/dbraw/zinc/76/72/94/915767294.db2.gz	AGMSIRVCDCYICO-QMMMGPOBSA-N	0	2	291.311	-0.774	20	30		CBEDLN
Cn1c(=O)[nH]c(N2Cc3ccncc3C2)c(C#N)c1=O	ZINC001472809427	915768202	/nfs/dbraw/zinc/76/82/02/915768202.db2.gz	PVNCNUMLWBSFQC-UHFFFAOYSA-N	0	2	269.264	-0.140	20	30		CBEDLN
C[C@H]1C[C@H](Nc2[nH]c(=O)n(C)c(=O)c2C#N)c2ncnn21	ZINC001472830630	915769835	/nfs/dbraw/zinc/76/98/35/915769835.db2.gz	GVLGXQMEXOMJRU-XPUUQOCRSA-N	0	2	287.283	-0.345	20	30		CBEDLN
Cc1nnc(CN(C)c2[nH]c(=O)n(C)c(=O)c2C#N)s1	ZINC001472838552	915771452	/nfs/dbraw/zinc/77/14/52/915771452.db2.gz	RXESZYJFOYMWLT-UHFFFAOYSA-N	0	2	292.324	-0.258	20	30		CBEDLN
CS(=O)(=O)Cc1nnc(CNc2nnccc2C#N)[nH]1	ZINC001472888796	915776013	/nfs/dbraw/zinc/77/60/13/915776013.db2.gz	HKWFKGUJVMVNGN-UHFFFAOYSA-N	0	2	293.312	-0.377	20	30		CBEDLN
C=C[C@@](C)(O)CC(=O)NC1CN(Cc2n[nH]c(=O)[nH]2)C1	ZINC001481555720	916878766	/nfs/dbraw/zinc/87/87/66/916878766.db2.gz	NAQQQTHJHHTCIU-GFCCVEGCSA-N	0	2	281.316	-0.862	20	30		CBEDLN
N#CCN1CC[C@](O)(CNC(=O)C(F)C(F)(F)F)C1	ZINC001484220053	917774786	/nfs/dbraw/zinc/77/47/86/917774786.db2.gz	MSSBXOJKXMNHRA-APPZFPTMSA-N	0	2	283.225	-0.037	20	30		CBEDLN
N#CCN1CC[C@](O)(CNC(=O)[C@@H](F)C(F)(F)F)C1	ZINC001484220053	917774794	/nfs/dbraw/zinc/77/47/94/917774794.db2.gz	MSSBXOJKXMNHRA-APPZFPTMSA-N	0	2	283.225	-0.037	20	30		CBEDLN
CC(=O)N(C)CC(=O)C(C#N)=C([O-])c1[nH+]ccn1C	ZINC001516727952	922249408	/nfs/dbraw/zinc/24/94/08/922249408.db2.gz	GSVWATLTEHDQRC-VIFPVBQESA-N	0	2	262.269	-0.210	20	30		CBEDLN
Cn1c(=O)[nH]c(NCCSCCCO)c(C#N)c1=O	ZINC001559098605	924210490	/nfs/dbraw/zinc/21/04/90/924210490.db2.gz	WMMGSEFWBQMPMA-UHFFFAOYSA-N	0	2	284.341	-0.527	20	30		CBEDLN
CCN(C[C@@H](C)C#N)c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001559124754	924212885	/nfs/dbraw/zinc/21/28/85/924212885.db2.gz	XIWKLZVFZCXDPC-QMMMGPOBSA-N	0	2	261.285	-0.069	20	30		CBEDLN
C[C@@H](O)CN(c1[nH]c(=O)n(C)c(=O)c1C#N)C1CC1	ZINC001559225449	924213520	/nfs/dbraw/zinc/21/35/20/924213520.db2.gz	PYRVLLGYNYXHEZ-SSDOTTSWSA-N	0	2	264.285	-0.705	20	30		CBEDLN
C[C@@H]1CN(c2[nH]c(=O)n(C)c(=O)c2C#N)CC[C@@H]1O	ZINC001559172548	924215997	/nfs/dbraw/zinc/21/59/97/924215997.db2.gz	HVGUUDXNONKOFE-APPZFPTMSA-N	0	2	264.285	-0.848	20	30		CBEDLN
Cn1cc(C#N)cc1C(=O)NCCCc1n[nH]c(=O)[nH]1	ZINC000081794116	351709813	/nfs/dbraw/zinc/70/98/13/351709813.db2.gz	KLUYTAPIFPTFTP-UHFFFAOYSA-N	0	2	274.284	-0.329	20	30		CBEDLN
C#CCNC(=O)c1cc(C)c2c(=O)[nH]c(=O)nc-2[nH]1	ZINC000155735696	351950592	/nfs/dbraw/zinc/95/05/92/351950592.db2.gz	QLKGFUDDPTWYSN-UHFFFAOYSA-N	0	2	258.237	-0.305	20	30		CBEDLN
CCn1ncc(C#N)c1NS(=O)(=O)[C@@H](C)C(=O)N(C)C	ZINC000340633356	353180550	/nfs/dbraw/zinc/18/05/50/353180550.db2.gz	FUPUQKSWDRKDSF-QMMMGPOBSA-N	0	2	299.356	-0.007	20	30		CBEDLN
C[C@@H]1CN(C(=O)Cn2c(=O)[nH]cc(C#N)c2=O)C[C@H](C)O1	ZINC000566737743	354773553	/nfs/dbraw/zinc/77/35/53/354773553.db2.gz	MVQRTPVXHJVXJM-DTORHVGOSA-N	0	2	292.295	-0.956	20	30		CBEDLN
CC(C)c1nc(Cn2c(=O)[nH]cc(C#N)c2=O)no1	ZINC000579108830	354961840	/nfs/dbraw/zinc/96/18/40/354961840.db2.gz	LQQSTIAHKWVOOS-UHFFFAOYSA-N	0	2	261.241	-0.037	20	30		CBEDLN
CCOC(=O)CCC(=O)Cn1c(=O)[nH]cc(C#N)c1=O	ZINC000592354409	355148921	/nfs/dbraw/zinc/14/89/21/355148921.db2.gz	SXYRCLDZHTYUAS-UHFFFAOYSA-N	0	2	279.252	-0.679	20	30		CBEDLN
CC(C)O[C@@]1(Cn2c(=O)[nH]cc(C#N)c2=O)CCOC1	ZINC000594913601	355269067	/nfs/dbraw/zinc/26/90/67/355269067.db2.gz	RJPNSSQHXKFTIQ-CYBMUJFWSA-N	0	2	279.296	-0.008	20	30		CBEDLN
N#Cc1nc(NC(=O)CN2CCCNC2=O)[nH]c1C#N	ZINC000515209606	373779596	/nfs/dbraw/zinc/77/95/96/373779596.db2.gz	DVPNUBPTVWHGGC-UHFFFAOYSA-N	0	2	273.256	-0.493	20	30		CBEDLN
CNc1nc(C)cc(C(=O)Nc2nc(C#N)c(C#N)[nH]2)n1	ZINC000351296364	419822402	/nfs/dbraw/zinc/82/24/02/419822402.db2.gz	DITNPECRWGYZQX-UHFFFAOYSA-N	0	2	282.267	0.545	20	30		CBEDLN
C=C[C@](C)(O)C(=O)Nc1nnc(NS(C)(=O)=O)s1	ZINC000666975576	544652469	/nfs/dbraw/zinc/65/24/69/544652469.db2.gz	SGICKXRIELSESZ-QMMMGPOBSA-N	0	2	292.342	-0.215	20	30		CBEDLN
N#CCCn1ccc(NC(=O)NCc2n[nH]c(=O)[nH]2)n1	ZINC000610773322	420495003	/nfs/dbraw/zinc/49/50/03/420495003.db2.gz	MEBXEMAWAKWXSJ-UHFFFAOYSA-N	0	2	276.260	-0.058	20	30		CBEDLN
Cc1nc(N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)cc[nH+]1	ZINC000528113153	268089001	/nfs/dbraw/zinc/08/90/01/268089001.db2.gz	IWUYQNFBLIJTIM-UHFFFAOYSA-N	0	2	284.279	-0.020	20	30		CBEDLN
C=CCN1CC[C@H]([NH+]2CCN(C(=O)C(=O)[O-])CC2)C1=O	ZINC000571214443	328092396	/nfs/dbraw/zinc/09/23/96/328092396.db2.gz	KWIVFFSQYUZTPG-JTQLQIEISA-N	0	2	281.312	-0.998	20	30		CBEDLN
CC(C)[C@](C)(C#N)NC(=O)Cn1c(=O)[nH]cc(C#N)c1=O	ZINC000572482232	330646396	/nfs/dbraw/zinc/64/63/96/330646396.db2.gz	HNDJJSCWKQSQNL-ZDUSSCGKSA-N	0	2	289.295	-0.537	20	30		CBEDLN
C=CCONC(=O)CNC(=O)CNC(=O)OC(C)(C)C	ZINC000495981350	332535393	/nfs/dbraw/zinc/53/53/93/332535393.db2.gz	SMPLCDMBXDQCJE-UHFFFAOYSA-N	0	2	287.316	-0.139	20	30		CBEDLN
C#CCN1CCN(S(=O)(=O)NCC(F)(F)F)CC1	ZINC000195437777	333253152	/nfs/dbraw/zinc/25/31/52/333253152.db2.gz	MPWAJKSXVJSJQW-UHFFFAOYSA-N	0	2	285.291	-0.366	20	30		CBEDLN
CC(C)(C)NC(=O)Cn1c(=O)[nH]cc(C#N)c1=O	ZINC000566222706	517380489	/nfs/dbraw/zinc/38/04/89/517380489.db2.gz	HRGICZKOUWKVFT-UHFFFAOYSA-N	0	2	250.258	-0.677	20	30		CBEDLN
CC[C@@](C)(C#N)NC(=O)Cn1[nH]cc2c(=O)ncnc1-2	ZINC000730541539	582150629	/nfs/dbraw/zinc/15/06/29/582150629.db2.gz	MBMQTJZEDKIAFS-LBPRGKRZSA-N	0	2	274.284	-0.120	20	30		CBEDLN
CC(C)[C@@H](C#N)NC(=O)Cn1[nH]cc2c(=O)ncnc1-2	ZINC000732098521	582156460	/nfs/dbraw/zinc/15/64/60/582156460.db2.gz	RMZHQLBMXVFPQM-SECBINFHSA-N	0	2	274.284	-0.264	20	30		CBEDLN
C=CC[C@@H](C)Nc1c(-c2nn[nH]n2)c(=O)n(C)c(=O)n1C	ZINC000735409479	582181996	/nfs/dbraw/zinc/18/19/96/582181996.db2.gz	FVSJERNKGKAKLQ-SSDOTTSWSA-N	0	2	291.315	-0.359	20	30		CBEDLN
C#CC[NH+]1CCN(C(=O)CCCNC(=O)[O-])CC1	ZINC000736079372	582195545	/nfs/dbraw/zinc/19/55/45/582195545.db2.gz	LOPGMRXSEJZOKN-UHFFFAOYSA-N	0	2	253.302	-0.188	20	30		CBEDLN
C[C@@](C#N)(NC(=O)C[N@@H+]1C[C@H](O)C[C@H]1C(=O)[O-])C1CC1	ZINC000736203896	582199572	/nfs/dbraw/zinc/19/95/72/582199572.db2.gz	WISOMQBQLSVXKO-NRUUGDAUSA-N	0	2	281.312	-0.685	20	30		CBEDLN
C[C@@](C#N)(NC(=O)C[N@H+]1C[C@H](O)C[C@H]1C(=O)[O-])C1CC1	ZINC000736203896	582199574	/nfs/dbraw/zinc/19/95/74/582199574.db2.gz	WISOMQBQLSVXKO-NRUUGDAUSA-N	0	2	281.312	-0.685	20	30		CBEDLN
C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCO[C@H](C(=O)[O-])C1	ZINC000736199185	582199635	/nfs/dbraw/zinc/19/96/35/582199635.db2.gz	HGVWBGIXFKELFZ-UWVGGRQHSA-N	0	2	269.301	-0.468	20	30		CBEDLN
C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCO[C@H](C(=O)[O-])C1	ZINC000736199185	582199637	/nfs/dbraw/zinc/19/96/37/582199637.db2.gz	HGVWBGIXFKELFZ-UWVGGRQHSA-N	0	2	269.301	-0.468	20	30		CBEDLN
C[C@@H](C#N)C(=O)N(CC[NH+]1CCOCC1)CC(=O)[O-]	ZINC000736201937	582199681	/nfs/dbraw/zinc/19/96/81/582199681.db2.gz	LAJFQNVDLPSRTI-JTQLQIEISA-N	0	2	269.301	-0.609	20	30		CBEDLN
CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1C[C@H](O)C[C@H]1C(=O)[O-]	ZINC000736349786	582204918	/nfs/dbraw/zinc/20/49/18/582204918.db2.gz	PFCPNHGUKXCHCU-NRUUGDAUSA-N	0	2	283.328	-0.439	20	30		CBEDLN
CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1C[C@H](O)C[C@H]1C(=O)[O-]	ZINC000736349786	582204919	/nfs/dbraw/zinc/20/49/19/582204919.db2.gz	PFCPNHGUKXCHCU-NRUUGDAUSA-N	0	2	283.328	-0.439	20	30		CBEDLN
C#C[C@H](CC)NC(=O)Cn1[nH]cc2c(=O)ncnc1-2	ZINC000754374565	582299257	/nfs/dbraw/zinc/29/92/57/582299257.db2.gz	PAQOAIHWRXMVRJ-MRVPVSSYSA-N	0	2	259.269	-0.401	20	30		CBEDLN
Cn1cc(C#N)c(NC(=O)NCc2n[nH]c(=O)[nH]2)n1	ZINC000762220683	582317033	/nfs/dbraw/zinc/31/70/33/582317033.db2.gz	DJIFXVULDHLVCC-UHFFFAOYSA-N	0	2	262.233	-0.563	20	30		CBEDLN
C[C@@H]1CC(NC(=O)C[C@H]2SC(=N)NC2=O)=NO1	ZINC000777434793	582356670	/nfs/dbraw/zinc/35/66/70/582356670.db2.gz	BRQBYXRBWOQSLG-RFZPGFLSSA-N	0	2	256.287	-0.219	20	30		CBEDLN
C[C@@H]1CC(NC(=O)CC2SC(=N)NC2=O)=NO1	ZINC000777434793	582356671	/nfs/dbraw/zinc/35/66/71/582356671.db2.gz	BRQBYXRBWOQSLG-RFZPGFLSSA-N	0	2	256.287	-0.219	20	30		CBEDLN
CC1(CNN=C2C(=O)NC(=O)NC2=O)CCCC1	ZINC000814228746	582456149	/nfs/dbraw/zinc/45/61/49/582456149.db2.gz	JOTVJZZONDOPAC-UHFFFAOYSA-N	0	2	252.274	-0.122	20	30		CBEDLN
COc1ccccc1CON=C1C(=O)NC(=O)NC1=O	ZINC000814230205	582456159	/nfs/dbraw/zinc/45/61/59/582456159.db2.gz	LKBMZBSNFOKVQP-UHFFFAOYSA-N	0	2	277.236	-0.066	20	30		CBEDLN
CON=CC(=O)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1	ZINC000816541164	582476985	/nfs/dbraw/zinc/47/69/85/582476985.db2.gz	DZWLNVWFBOANDC-ZETCQYMHSA-N	0	2	253.262	-0.152	20	30		CBEDLN
O=C(N[C@@H]1CCN(O)C1=O)c1ccc2[nH]nnc2c1	ZINC000816695238	582480829	/nfs/dbraw/zinc/48/08/29/582480829.db2.gz	YAGMNEURQQCJSF-MRVPVSSYSA-N	0	2	261.241	-0.322	20	30		CBEDLN
C=C[C@H](C)Nc1c(-c2nn[nH]n2)c(=O)n(C)c(=O)n1C	ZINC000819729043	582539609	/nfs/dbraw/zinc/53/96/09/582539609.db2.gz	ATFJJTCKEGCOGW-LURJTMIESA-N	0	2	277.288	-0.750	20	30		CBEDLN
C=CCONC(=O)CN1CCC[C@@H](C(=O)OC)C1=O	ZINC000821891626	582622588	/nfs/dbraw/zinc/62/25/88/582622588.db2.gz	JHAUPUOSTZCDMH-SECBINFHSA-N	0	2	270.285	-0.368	20	30		CBEDLN
C#CC[NH+]1CCN(C(=O)C[C@@H]2CN(C(=O)[O-])CCO2)CC1	ZINC000823450960	582669384	/nfs/dbraw/zinc/66/93/84/582669384.db2.gz	LNBMORBZCYWRTA-GFCCVEGCSA-N	0	2	295.339	-0.467	20	30		CBEDLN
C#CCNC(=O)CO[NH+]=C(N)[C@H](CC(C)C)NC(=O)[O-]	ZINC000823457317	582669898	/nfs/dbraw/zinc/66/98/98/582669898.db2.gz	XQFMCWUVXZJMLN-VIFPVBQESA-N	0	2	284.316	-0.083	20	30		CBEDLN
C=CCCS(=O)(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)[O-]	ZINC000823500412	582671234	/nfs/dbraw/zinc/67/12/34/582671234.db2.gz	FIWQLWBHPSSTQI-SNVBAGLBSA-N	0	2	291.373	-0.224	20	30		CBEDLN
C=CCCS(=O)(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)[O-]	ZINC000823500412	582671236	/nfs/dbraw/zinc/67/12/36/582671236.db2.gz	FIWQLWBHPSSTQI-SNVBAGLBSA-N	0	2	291.373	-0.224	20	30		CBEDLN
CCN(CCC#N)C(=O)C[N@@H+]1CCO[C@H](CC(=O)[O-])C1	ZINC000829692214	582894731	/nfs/dbraw/zinc/89/47/31/582894731.db2.gz	CBZXIFORWNNIDD-LLVKDONJSA-N	0	2	283.328	-0.076	20	30		CBEDLN
CCN(CCC#N)C(=O)C[N@H+]1CCO[C@H](CC(=O)[O-])C1	ZINC000829692214	582894734	/nfs/dbraw/zinc/89/47/34/582894734.db2.gz	CBZXIFORWNNIDD-LLVKDONJSA-N	0	2	283.328	-0.076	20	30		CBEDLN
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)CCn1cc[nH+]c1	ZINC000831082075	582955836	/nfs/dbraw/zinc/95/58/36/582955836.db2.gz	HQQPIBPQLGDNLS-JTQLQIEISA-N	0	2	277.284	-0.012	20	30		CBEDLN
C=CCNC(=O)NC(=O)C[N@@H+](C)[C@H](COCC)C(=O)[O-]	ZINC000833376891	583064815	/nfs/dbraw/zinc/06/48/15/583064815.db2.gz	UQNLEXNPXPHXOD-SECBINFHSA-N	0	2	287.316	-0.580	20	30		CBEDLN
C=CCNC(=O)NC(=O)C[N@H+](C)[C@H](COCC)C(=O)[O-]	ZINC000833376891	583064818	/nfs/dbraw/zinc/06/48/18/583064818.db2.gz	UQNLEXNPXPHXOD-SECBINFHSA-N	0	2	287.316	-0.580	20	30		CBEDLN
CCONC(=O)CNC(=O)N1CC[C@](F)(C#N)C1	ZINC000845538144	583317973	/nfs/dbraw/zinc/31/79/73/583317973.db2.gz	RCVQWFHZBABUJL-JTQLQIEISA-N	0	2	258.253	-0.299	20	30		CBEDLN
C#CCSCCNC(=O)NCC(=O)NOCC	ZINC000845546809	583322876	/nfs/dbraw/zinc/32/28/76/583322876.db2.gz	OFWMMQVOEQNECI-UHFFFAOYSA-N	0	2	259.331	-0.280	20	30		CBEDLN
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CC#CC[N@@H+]1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@H](OC)C1	ZINC001081540672	806096141	/nfs/dbraw/zinc/09/61/41/806096141.db2.gz	MBVLSZHCATZGIK-GHMZBOCLSA-N	0	2	292.339	-0.124	20	30		CBEDLN
CC#CC[N@H+]1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@H](OC)C1	ZINC001081540672	806096150	/nfs/dbraw/zinc/09/61/50/806096150.db2.gz	MBVLSZHCATZGIK-GHMZBOCLSA-N	0	2	292.339	-0.124	20	30		CBEDLN
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C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)c2[nH]ncc2F)C1	ZINC001046207107	801739525	/nfs/dbraw/zinc/73/95/25/801739525.db2.gz	ULXGDZHJSXJXMM-SSDOTTSWSA-N	0	2	295.274	-0.988	20	30		CBEDLN
C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CCC[C@@H]2C)C1	ZINC001047527997	801896336	/nfs/dbraw/zinc/89/63/36/801896336.db2.gz	LFCPUBGFOCSQRS-IHRRRGAJSA-N	0	2	279.384	-0.393	20	30		CBEDLN
C#CCO[C@@H](C)C(=O)N1CCN(Cc2n[nH]c(=O)[nH]2)CC1	ZINC001112846153	811604714	/nfs/dbraw/zinc/60/47/14/811604714.db2.gz	HGWFYAYQAOSVJP-JTQLQIEISA-N	0	2	293.327	-0.807	20	30		CBEDLN
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COC[C@@H]1CCCN1c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001120868284	813025296	/nfs/dbraw/zinc/02/52/96/813025296.db2.gz	XAKVZMVAVRBRAK-QMMMGPOBSA-N	0	2	264.285	-0.440	20	30		CBEDLN
C#CC[C@H](NC(=O)C[C@@H]1SC(=N)NC1=O)C(=O)OC	ZINC001141994817	814679849	/nfs/dbraw/zinc/67/98/49/814679849.db2.gz	AFDSBHNWIUVWKB-BQBZGAKWSA-N	0	2	283.309	-0.776	20	30		CBEDLN
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C[C@H](CO)CCCNc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001307087129	816795254	/nfs/dbraw/zinc/79/52/54/816795254.db2.gz	OSEPPZDKROYKCG-QMMMGPOBSA-N	0	2	266.301	-0.234	20	30		CBEDLN
CC[C@@H]1CN(c2[nH]c(=O)n(C)c(=O)c2C#N)C[C@@H]1O	ZINC001307087955	816795614	/nfs/dbraw/zinc/79/56/14/816795614.db2.gz	ZDZLJZMUEGGLSI-APPZFPTMSA-N	0	2	264.285	-0.848	20	30		CBEDLN
CC[C@H](CO)N(C)c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001307128044	816796575	/nfs/dbraw/zinc/79/65/75/816796575.db2.gz	DBCSEWISRNZTGQ-SSDOTTSWSA-N	0	2	252.274	-0.848	20	30		CBEDLN
Cc1nc2cc[nH]n2c(=O)c1CC(=O)N(C)CC#N	ZINC001318343957	817101934	/nfs/dbraw/zinc/10/19/34/817101934.db2.gz	SNTPMBLGKOMJIL-UHFFFAOYSA-N	0	2	259.269	-0.145	20	30		CBEDLN
N#CCNC[C@H](O)CNC(=O)C(F)C(F)(F)F	ZINC001320230485	817300316	/nfs/dbraw/zinc/30/03/16/817300316.db2.gz	JXIRGEZTMWIROP-NTSWFWBYSA-N	0	2	257.187	-0.523	20	30		CBEDLN
N#CCNC[C@H](O)CNC(=O)[C@@H](F)C(F)(F)F	ZINC001320230485	817300323	/nfs/dbraw/zinc/30/03/23/817300323.db2.gz	JXIRGEZTMWIROP-NTSWFWBYSA-N	0	2	257.187	-0.523	20	30		CBEDLN
N#CCC1(O)CN(Cc2cc(=O)n3[nH]ccc3n2)C1	ZINC001169630965	820261774	/nfs/dbraw/zinc/26/17/74/820261774.db2.gz	WVORHBHRVATYMV-UHFFFAOYSA-N	0	2	259.269	-0.517	20	30		CBEDLN
Cn1c(=O)[nH]c(NC2(CO)CCC2)c(C#N)c1=O	ZINC001185784887	821142670	/nfs/dbraw/zinc/14/26/70/821142670.db2.gz	IKGFHBWTKQBNEF-UHFFFAOYSA-N	0	2	250.258	-0.728	20	30		CBEDLN
C=CC[C@H](CO)Nc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001186296038	821178562	/nfs/dbraw/zinc/17/85/62/821178562.db2.gz	XQRMAGPFXKPFNI-SSDOTTSWSA-N	0	2	250.258	-0.706	20	30		CBEDLN
Cn1cnc(CCCNc2[nH]c(=O)n(C)c(=O)c2C#N)n1	ZINC001186832839	821200668	/nfs/dbraw/zinc/20/06/68/821200668.db2.gz	NFILUUXFWWEZIL-UHFFFAOYSA-N	0	2	289.299	-0.882	20	30		CBEDLN
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Cn1c(=O)[nH]c(NCc2ncccn2)c(C#N)c1=O	ZINC001187509568	822280458	/nfs/dbraw/zinc/28/04/58/822280458.db2.gz	DUOLVDAPBXMXSE-UHFFFAOYSA-N	0	2	258.241	-0.653	20	30		CBEDLN
Cn1c(=O)[nH]c(NC[C@@H]2C=C[C@H]3C[C@@H]2CO3)c(C#N)c1=O	ZINC001187559360	822282367	/nfs/dbraw/zinc/28/23/67/822282367.db2.gz	PCZMVLLIQAEPKY-AEJSXWLSSA-N	0	2	288.307	-0.052	20	30		CBEDLN
Cc1ccnc(C(=O)Cn2c(=O)[nH]cc(C#N)c2=O)c1	ZINC001189566697	823767512	/nfs/dbraw/zinc/76/75/12/823767512.db2.gz	CSCORGXZEQPICY-UHFFFAOYSA-N	0	2	270.248	-0.005	20	30		CBEDLN
COc1nc(NS(=O)(=O)[C@@H](C)C#N)cc(=O)[nH]1	ZINC001193104856	824003847	/nfs/dbraw/zinc/00/38/47/824003847.db2.gz	NPOCGIFARKRJQS-YFKPBYRVSA-N	0	2	258.259	-0.155	20	30		CBEDLN
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CCOC(=O)[C@H](C#N)NS(=O)(=O)c1c(C)n[nH]c1C	ZINC001261032377	826483619	/nfs/dbraw/zinc/48/36/19/826483619.db2.gz	NYZMFTOOMXTHGX-QMMMGPOBSA-N	0	2	286.313	-0.240	20	30		CBEDLN
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Cn1c(=O)[nH]c(NC[C@H]2CCCO2)c(C#N)c1=O	ZINC001336434261	888762166	/nfs/dbraw/zinc/76/21/66/888762166.db2.gz	YIOLERARHLSFJE-SSDOTTSWSA-N	0	2	250.258	-0.464	20	30		CBEDLN
CC[C@H](CNc1[nH]c(=O)n(C)c(=O)c1C#N)OC	ZINC001336633230	888824887	/nfs/dbraw/zinc/82/48/87/888824887.db2.gz	JDIZWLSXUWHBTA-SSDOTTSWSA-N	0	2	252.274	-0.218	20	30		CBEDLN
C[C@@H]1C[C@@H](Nc2[nH]c(=O)n(C)c(=O)c2C#N)[C@@H](C)O1	ZINC001336691922	888848259	/nfs/dbraw/zinc/84/82/59/888848259.db2.gz	HJDPHVIMTRTQKC-ZXFLCMHBSA-N	0	2	264.285	-0.077	20	30		CBEDLN
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C[C@H]1OCC[C@]1(C)Nc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001339660525	889305327	/nfs/dbraw/zinc/30/53/27/889305327.db2.gz	OTNQQYDRDPMIRP-KRTXAFLBSA-N	0	2	264.285	-0.075	20	30		CBEDLN
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COC[C@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)C1CC1	ZINC001336554791	888795260	/nfs/dbraw/zinc/79/52/60/888795260.db2.gz	CFJSDYWDGCUAEZ-VIFPVBQESA-N	0	2	264.285	-0.218	20	30		CBEDLN
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CO[C@H]1C[C@H](CNc2[nH]c(=O)n(C)c(=O)c2C#N)C1	ZINC001336700573	888848167	/nfs/dbraw/zinc/84/81/67/888848167.db2.gz	BCNQJCRAHGAGJE-ZKCHVHJHSA-N	0	2	264.285	-0.218	20	30		CBEDLN
N#C[C@H](NC(=O)Cn1[nH]cc2c(=O)ncnc1-2)C1CC1	ZINC001338739418	889197013	/nfs/dbraw/zinc/19/70/13/889197013.db2.gz	VHHMOMPVLCAJQC-VIFPVBQESA-N	0	2	272.268	-0.510	20	30		CBEDLN
C=CCO[C@@H]1CCN(c2[nH]c(=O)n(C)c(=O)c2C#N)C1	ZINC001339658658	889303239	/nfs/dbraw/zinc/30/32/39/889303239.db2.gz	DCHBRIREKXDXID-SECBINFHSA-N	0	2	276.296	-0.273	20	30		CBEDLN
C[C@@H]1OCC[C@]1(C)Nc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001339660526	889303298	/nfs/dbraw/zinc/30/32/98/889303298.db2.gz	OTNQQYDRDPMIRP-MADCSZMMSA-N	0	2	264.285	-0.075	20	30		CBEDLN
COC1(CNc2[nH]c(=O)n(C)c(=O)c2C#N)CCC1	ZINC001339650166	889303528	/nfs/dbraw/zinc/30/35/28/889303528.db2.gz	VSJZLDGAIKHYBG-UHFFFAOYSA-N	0	2	264.285	-0.074	20	30		CBEDLN
C[C@@H]1C(=O)CCCN1c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001348324007	890599952	/nfs/dbraw/zinc/59/99/52/890599952.db2.gz	SWTVLOCUZARVNA-SSDOTTSWSA-N	0	2	262.269	-0.497	20	30		CBEDLN
CO[C@@H]1CCN(c2[nH]c(=O)n(C)c(=O)c2C#N)C1	ZINC001354120182	891521267	/nfs/dbraw/zinc/52/12/67/891521267.db2.gz	JZLMYNYTYCRZIT-SSDOTTSWSA-N	0	2	250.258	-0.830	20	30		CBEDLN
C[N@H+](Cc1cc(=O)n2[n-]cc(C#N)c2n1)[C@H]1CCNC1=O	ZINC001363213991	893465424	/nfs/dbraw/zinc/46/54/24/893465424.db2.gz	ZQTOKSSBOOAAFR-JTQLQIEISA-N	0	2	286.295	-0.373	20	30		CBEDLN
C[N@@H+](Cc1cc(=O)n2[n-]cc(C#N)c2n1)[C@H]1CCNC1=O	ZINC001363213991	893465428	/nfs/dbraw/zinc/46/54/28/893465428.db2.gz	ZQTOKSSBOOAAFR-JTQLQIEISA-N	0	2	286.295	-0.373	20	30		CBEDLN
N#C[C@@H]1CCCN(Cc2cc(=O)n3[nH]c(N)nc3n2)C1	ZINC001363300554	893553576	/nfs/dbraw/zinc/55/35/76/893553576.db2.gz	QQMWWQVCJCHNLS-QMMMGPOBSA-N	0	2	273.300	-0.265	20	30		CBEDLN
C[C@@H](CC#N)C(=O)NCc1nnc(CS(C)(=O)=O)[nH]1	ZINC001363703246	893923823	/nfs/dbraw/zinc/92/38/23/893923823.db2.gz	LQYWUXROGOVWJP-ZETCQYMHSA-N	0	2	285.329	-0.485	20	30		CBEDLN
C[C@@H]1CC[C@H](C(N)=O)CN1c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001363723833	893941474	/nfs/dbraw/zinc/94/14/74/893941474.db2.gz	SUAUFUZFNPXSBU-SFYZADRCSA-N	0	2	291.311	-0.965	20	30		CBEDLN
Cn1c(=O)[nH]c(NCc2nnc(C3CC3)[nH]2)c(C#N)c1=O	ZINC001363730931	893948174	/nfs/dbraw/zinc/94/81/74/893948174.db2.gz	MKKMPERQWJLDHH-UHFFFAOYSA-N	0	2	287.283	-0.447	20	30		CBEDLN
Cn1c(=O)[nH]c(Nc2cnn(CCF)c2)c(C#N)c1=O	ZINC001363744650	893959020	/nfs/dbraw/zinc/95/90/20/893959020.db2.gz	PERKNPAQMWMFGY-UHFFFAOYSA-N	0	2	278.247	-0.145	20	30		CBEDLN
CCC1(O)CCN(c2[nH]c(=O)n(C)c(=O)c2C#N)CC1	ZINC001364153473	894220007	/nfs/dbraw/zinc/22/00/07/894220007.db2.gz	XPXORGYCXAAGDE-UHFFFAOYSA-N	0	2	278.312	-0.313	20	30		CBEDLN
CN(C[C@H]1CCC[C@H]1O)c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001364168161	894227263	/nfs/dbraw/zinc/22/72/63/894227263.db2.gz	FORQXCRJSXWXGX-PSASIEDQSA-N	0	2	278.312	-0.458	20	30		CBEDLN
Cn1c(=O)[nH]c(N[C@H]2CCC[C@H]2CCO)c(C#N)c1=O	ZINC001364169671	894229107	/nfs/dbraw/zinc/22/91/07/894229107.db2.gz	LLUJZTDZVVAQPQ-WPRPVWTQSA-N	0	2	278.312	-0.092	20	30		CBEDLN
COc1ccc(CNc2[nH]c(=O)n(C)c(=O)c2C#N)nc1	ZINC001364176487	894234778	/nfs/dbraw/zinc/23/47/78/894234778.db2.gz	YYFSTHUUQKOQDJ-UHFFFAOYSA-N	0	2	287.279	-0.039	20	30		CBEDLN
C[C@H](C[S@](C)=O)Nc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001364182022	894236471	/nfs/dbraw/zinc/23/64/71/894236471.db2.gz	KFVUHMZOBIAJQS-DMWPKQFHSA-N	0	2	270.314	-0.876	20	30		CBEDLN
C[C@@H]1[C@@H](CO)CCCN1c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001364193514	894241502	/nfs/dbraw/zinc/24/15/02/894241502.db2.gz	WHZMHZAPDRJESJ-RKDXNWHRSA-N	0	2	278.312	-0.458	20	30		CBEDLN
Cn1c(=O)[nH]c(NCCc2cccnc2)c(C#N)c1=O	ZINC001364530273	894480562	/nfs/dbraw/zinc/48/05/62/894480562.db2.gz	DNQKWKUBOIIFOE-UHFFFAOYSA-N	0	2	271.280	-0.005	20	30		CBEDLN
CC[C@@H](C)NC(=O)[C@@H](C)Nc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001364539503	894483358	/nfs/dbraw/zinc/48/33/58/894483358.db2.gz	WLUCCNQYPCIRIY-HTQZYQBOSA-N	0	2	293.327	-0.340	20	30		CBEDLN
CC(=O)OC1CCN(c2[nH]c(=O)n(C)c(=O)c2C#N)CC1	ZINC001364559648	894492543	/nfs/dbraw/zinc/49/25/43/894492543.db2.gz	LXAONSYMCFJKJO-UHFFFAOYSA-N	0	2	292.295	-0.523	20	30		CBEDLN
CNC(=O)[C@H]1CCC[C@H]1Nc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001364556816	894492731	/nfs/dbraw/zinc/49/27/31/894492731.db2.gz	DYSVTKDIWMCQGM-IONNQARKSA-N	0	2	291.311	-0.728	20	30		CBEDLN
CCOC(=O)CN(CC)c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001364557517	894494838	/nfs/dbraw/zinc/49/48/38/894494838.db2.gz	HDMTZKHUEHKEHE-UHFFFAOYSA-N	0	2	280.284	-0.665	20	30		CBEDLN
N#CCc1cccc(NS(=O)(=O)[C@@H]2COC[C@H]2O)n1	ZINC001364956534	894698975	/nfs/dbraw/zinc/69/89/75/894698975.db2.gz	JHGOJZFIFSRZJB-NXEZZACHSA-N	0	2	283.309	-0.351	20	30		CBEDLN
Cn1c(=O)[nH]c(NCc2ccc(C#N)cn2)c(C#N)c1=O	ZINC001365227802	894830620	/nfs/dbraw/zinc/83/06/20/894830620.db2.gz	QOHFUGOQUODXKK-UHFFFAOYSA-N	0	2	282.263	-0.176	20	30		CBEDLN
Cn1c(=O)[nH]c(NCc2ccc(N)nc2)c(C#N)c1=O	ZINC001365225040	894831831	/nfs/dbraw/zinc/83/18/31/894831831.db2.gz	YQQIWKAYWRRFAX-UHFFFAOYSA-N	0	2	272.268	-0.465	20	30		CBEDLN
Cc1c[nH]c(=O)c(CNc2[nH]c(=O)n(C)c(=O)c2C#N)c1	ZINC001365241690	894840031	/nfs/dbraw/zinc/84/00/31/894840031.db2.gz	IWBNLTLMVXCYFY-UHFFFAOYSA-N	0	2	287.279	-0.034	20	30		CBEDLN
COC(=O)c1ccoc1Cn1c(=O)[nH]cc(C#N)c1=O	ZINC001365260092	894850968	/nfs/dbraw/zinc/85/09/68/894850968.db2.gz	MFZDYCCDXKNXDJ-UHFFFAOYSA-N	0	2	275.220	-0.164	20	30		CBEDLN
CCOC(=O)c1cc(Cn2c(=O)[nH]cc(C#N)c2=O)on1	ZINC001365261679	894854724	/nfs/dbraw/zinc/85/47/24/894854724.db2.gz	YCSKLRRAGMQMKX-UHFFFAOYSA-N	0	2	290.235	-0.379	20	30		CBEDLN
C[C@@H](NC(=O)Cn1cnc(C#N)n1)c1nn(C)cc1O	ZINC001456788647	914511522	/nfs/dbraw/zinc/51/15/22/914511522.db2.gz	IXMBAFJOPIWIBO-SSDOTTSWSA-N	0	2	275.272	-0.534	20	30		CBEDLN
Cn1c(=O)[nH]c(NCc2nc(C3CC3)no2)c(C#N)c1=O	ZINC001458133029	914631935	/nfs/dbraw/zinc/63/19/35/914631935.db2.gz	QFUSERFLZCATDF-UHFFFAOYSA-N	0	2	288.267	-0.182	20	30		CBEDLN
Cn1c(=O)[nH]c(N2CCC(C)(O)CC2)c(C#N)c1=O	ZINC001458285287	914639594	/nfs/dbraw/zinc/63/95/94/914639594.db2.gz	DFMHHKGOZOBUIL-UHFFFAOYSA-N	0	2	264.285	-0.704	20	30		CBEDLN
C[C@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)c1ccn(C)n1	ZINC001458429039	914650448	/nfs/dbraw/zinc/65/04/48/914650448.db2.gz	WIJSKTUACHZKHD-ZETCQYMHSA-N	0	2	274.284	-0.148	20	30		CBEDLN
Cn1c(=O)[nH]c(N[C@H](CO)C[C@@H]2CCCO2)c(C#N)c1=O	ZINC001458599343	914661367	/nfs/dbraw/zinc/66/13/67/914661367.db2.gz	CUYLJLOMFQTEKD-IUCAKERBSA-N	0	2	294.311	-0.713	20	30		CBEDLN
COC(=O)C(C)(C)CNc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001412881274	904781932	/nfs/dbraw/zinc/78/19/32/904781932.db2.gz	PSOABEYPCVNLFK-UHFFFAOYSA-N	0	2	280.284	-0.444	20	30		CBEDLN
Cn1c(=O)[nH]c(N2CCC[C@@H]2C(C)(C)O)c(C#N)c1=O	ZINC001412885152	904783169	/nfs/dbraw/zinc/78/31/69/904783169.db2.gz	ULBVKOLRYIDJSC-SECBINFHSA-N	0	2	278.312	-0.315	20	30		CBEDLN
Cc1nnsc1CNc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001413890301	905254882	/nfs/dbraw/zinc/25/48/82/905254882.db2.gz	VWRYGLPHDLDNGP-UHFFFAOYSA-N	0	2	278.297	-0.283	20	30		CBEDLN
N#Cc1c[nH]c(=O)n(Cc2ccc(C(N)=O)cc2)c1=O	ZINC001413935773	905277900	/nfs/dbraw/zinc/27/79/00/905277900.db2.gz	YXOPWRCOVLKPQZ-UHFFFAOYSA-N	0	2	270.248	-0.445	20	30		CBEDLN
C[C@@H](Cn1cccn1)Nc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001421046767	907407819	/nfs/dbraw/zinc/40/78/19/907407819.db2.gz	PMZHANHDLGYJER-QMMMGPOBSA-N	0	2	274.284	-0.358	20	30		CBEDLN
CS[C@@H](CO)[C@H](C)Nc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001421077895	907418985	/nfs/dbraw/zinc/41/89/85/907418985.db2.gz	AMBUBSAKTZEKEG-XPUUQOCRSA-N	0	2	284.341	-0.530	20	30		CBEDLN
Cn1c(=O)[nH]c(NCC(=O)OC(C)(C)C)c(C#N)c1=O	ZINC001421085146	907422336	/nfs/dbraw/zinc/42/23/36/907422336.db2.gz	VSDFAUDBMUISDX-UHFFFAOYSA-N	0	2	280.284	-0.301	20	30		CBEDLN
COC(=O)C1=CC[C@@H](Nc2[nH]c(=O)n(C)c(=O)c2C#N)C1	ZINC001421190950	907457661	/nfs/dbraw/zinc/45/76/61/907457661.db2.gz	LVQHUSYQWAARKA-MRVPVSSYSA-N	0	2	290.279	-0.381	20	30		CBEDLN
CCO[C@H]1COCC[C@@H]1Nc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001434444146	910189463	/nfs/dbraw/zinc/18/94/63/910189463.db2.gz	DKLKXMNWJAUYMJ-UWVGGRQHSA-N	0	2	294.311	-0.449	20	30		CBEDLN
CON1CCC(Nc2[nH]c(=O)n(C)c(=O)c2C#N)CC1	ZINC001434448794	910192023	/nfs/dbraw/zinc/19/20/23/910192023.db2.gz	OWMBMASHRZNSJD-UHFFFAOYSA-N	0	2	279.300	-0.617	20	30		CBEDLN
Cn1c(=O)[nH]c(NCc2ccncc2)c(C#N)c1=O	ZINC001472642008	915755363	/nfs/dbraw/zinc/75/53/63/915755363.db2.gz	NGQCPOSRZYGCAW-UHFFFAOYSA-N	0	2	257.253	-0.048	20	30		CBEDLN
Cn1c(=O)[nH]c(N2CCC(CC(N)=O)CC2)c(C#N)c1=O	ZINC001472658832	915758300	/nfs/dbraw/zinc/75/83/00/915758300.db2.gz	DVRBTMTVTWLHNY-UHFFFAOYSA-N	0	2	291.311	-0.963	20	30		CBEDLN
Cn1c(=O)[nH]c(N[C@H](CCO)C2CC2)c(C#N)c1=O	ZINC001472702437	915760225	/nfs/dbraw/zinc/76/02/25/915760225.db2.gz	CKSZVEABGMJIGS-SECBINFHSA-N	0	2	264.285	-0.482	20	30		CBEDLN
CO[C@H]1COCC[C@H]1N(C)c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001472865616	915775120	/nfs/dbraw/zinc/77/51/20/915775120.db2.gz	RXDGFFMUECRBCM-ZJUUUORDSA-N	0	2	294.311	-0.815	20	30		CBEDLN
N#Cc1c[nH]c(=O)n(Cc2nc(CC3CC3)no2)c1=O	ZINC001473048036	915791457	/nfs/dbraw/zinc/79/14/57/915791457.db2.gz	OVLXMHSTLDAUDP-UHFFFAOYSA-N	0	2	273.252	-0.208	20	30		CBEDLN
COCc1nnc(CNS(=O)(=O)CC2(C#N)CC2)[nH]1	ZINC001475469843	915942985	/nfs/dbraw/zinc/94/29/85/915942985.db2.gz	HCBJXJDHFOGPSZ-UHFFFAOYSA-N	0	2	285.329	-0.326	20	30		CBEDLN
O=C(C#CC1CC1)N1CCN(Cc2n[nH]c(=O)[nH]2)CC1	ZINC001480354545	916366730	/nfs/dbraw/zinc/36/67/30/916366730.db2.gz	LEYZUXNNCDQBFJ-UHFFFAOYSA-N	0	2	275.312	-0.432	20	30		CBEDLN
N#CCNC(=O)CN1CC(NC(=O)C(F)C(F)(F)F)C1	ZINC001481561773	916880912	/nfs/dbraw/zinc/88/09/12/916880912.db2.gz	UDHNJIKZFZYZOV-MRVPVSSYSA-N	0	2	296.224	-0.673	20	30		CBEDLN
N#CCNC(=O)CN1CC(NC(=O)[C@@H](F)C(F)(F)F)C1	ZINC001481561773	916880931	/nfs/dbraw/zinc/88/09/31/916880931.db2.gz	UDHNJIKZFZYZOV-MRVPVSSYSA-N	0	2	296.224	-0.673	20	30		CBEDLN
CN(C(=O)C#CC1CC1)[C@H]1CCN(Cc2n[nH]c(=O)[nH]2)C1	ZINC001481725792	916969293	/nfs/dbraw/zinc/96/92/93/916969293.db2.gz	BZFWRNJXNGBJNN-NSHDSACASA-N	0	2	289.339	-0.044	20	30		CBEDLN
Cn1c(=O)[nH]c(NC[C@]2(C)CCOC2)c(C#N)c1=O	ZINC001515460945	922234580	/nfs/dbraw/zinc/23/45/80/922234580.db2.gz	ZBWPRKKWBINLMN-LBPRGKRZSA-N	0	2	264.285	-0.216	20	30		CBEDLN
Cn1cc(OCC(=O)Nc2nc(C#N)c(C#N)[nH]2)cn1	ZINC000337611033	214180340	/nfs/dbraw/zinc/18/03/40/214180340.db2.gz	WIFQUVAKUGLFEG-UHFFFAOYSA-N	0	2	271.240	-0.096	20	30		CBEDLN
C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]1C(=O)[O-]	ZINC000035303801	351388061	/nfs/dbraw/zinc/38/80/61/351388061.db2.gz	WCRGCWKOZVTNCO-MRVPVSSYSA-N	0	2	255.274	-0.453	20	30		CBEDLN
C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1C(=O)[O-]	ZINC000035303801	351388064	/nfs/dbraw/zinc/38/80/64/351388064.db2.gz	WCRGCWKOZVTNCO-MRVPVSSYSA-N	0	2	255.274	-0.453	20	30		CBEDLN
COCCc1nsc(NCCn2cnc(C#N)n2)n1	ZINC000343542517	353278236	/nfs/dbraw/zinc/27/82/36/353278236.db2.gz	IAKQXPQBIOZFFH-UHFFFAOYSA-N	0	2	279.329	-0.276	20	30		CBEDLN
C=C[C@](C)(O)CC(=O)NCCCc1n[nH]c(=O)[nH]1	ZINC000354956514	353584171	/nfs/dbraw/zinc/58/41/71/353584171.db2.gz	DJFKITMPOZCTEA-NSHDSACASA-N	0	2	254.290	-0.114	20	30		CBEDLN
C=C[C@@H](CO)NC(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1	ZINC000356855761	353599665	/nfs/dbraw/zinc/59/96/65/353599665.db2.gz	BGLDASUYSSMSLS-ZETCQYMHSA-N	0	2	276.252	-0.287	20	30		CBEDLN
N#Cc1c[nH]c(=O)n(Cc2nnc3n2CCCCC3)c1=O	ZINC000564209680	354711282	/nfs/dbraw/zinc/71/12/82/354711282.db2.gz	CBHXGQHAEPZWIA-UHFFFAOYSA-N	0	2	286.295	-0.226	20	30		CBEDLN
N#Cc1c[nH]c(=O)n(Cc2cc3n(n2)CCCC3)c1=O	ZINC000593424004	355204691	/nfs/dbraw/zinc/20/46/91/355204691.db2.gz	XVRXAHSWGYFNAR-UHFFFAOYSA-N	0	2	271.280	-0.011	20	30		CBEDLN
CC(C)(C)n1nnc(Cn2c(=O)[nH]cc(C#N)c2=O)n1	ZINC000594452664	355248628	/nfs/dbraw/zinc/24/86/28/355248628.db2.gz	SZRJIWFHPKUOTM-UHFFFAOYSA-N	0	2	275.272	-0.802	20	30		CBEDLN
N#C[C@@H]1CN(S(=O)(=O)NCC(F)(F)F)CCO1	ZINC000126982904	220210254	/nfs/dbraw/zinc/21/02/54/220210254.db2.gz	GJBJARJOGOEAEX-ZCFIWIBFSA-N	0	2	273.236	-0.393	20	30		CBEDLN
Cc1cc(C(=O)N[C@H](C)C#N)[nH]c2nc(=O)[nH]c(=O)c1-2	ZINC000174322756	220221177	/nfs/dbraw/zinc/22/11/77/220221177.db2.gz	MXYANTQYQCTPMS-ZCFIWIBFSA-N	0	2	273.252	-0.026	20	30		CBEDLN
CC(C)(C)n1ncnc1Cn1c(=O)[nH]cc(C#N)c1=O	ZINC000521873906	373851143	/nfs/dbraw/zinc/85/11/43/373851143.db2.gz	TTYAKWDESDUXAI-UHFFFAOYSA-N	0	2	274.284	-0.197	20	30		CBEDLN
CCCN(CC#N)C(=O)CSc1n[nH]c(=O)[nH]1	ZINC000274968200	220277030	/nfs/dbraw/zinc/27/70/30/220277030.db2.gz	JZUDQFBUFNXZKM-UHFFFAOYSA-N	0	2	255.303	-0.048	20	30		CBEDLN
CC1(C)C[C@]1(C#N)NC(=O)CSc1n[nH]c(=O)[nH]1	ZINC000292462006	220310255	/nfs/dbraw/zinc/31/02/55/220310255.db2.gz	LXKSAODUDIAGOE-SNVBAGLBSA-N	0	2	267.314	-0.001	20	30		CBEDLN
CCOC(=O)C(NC(=O)[C@H](C)C#N)C(=O)OCC	ZINC000344380549	220422564	/nfs/dbraw/zinc/42/25/64/220422564.db2.gz	ZXJXEYNWJIOJON-SSDOTTSWSA-N	0	2	256.258	-0.243	20	30		CBEDLN
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C#CC[NH+]1CCN(C(=O)C[N@H+](CCO)CC2CC2)CC1	ZINC000491124999	332153321	/nfs/dbraw/zinc/15/33/21/332153321.db2.gz	AJJRLBMFGHXRQJ-UHFFFAOYSA-N	0	2	279.384	-0.532	20	30		CBEDLN
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C#CC[NH+]1CCN(C(=O)CSCC(=O)[O-])CC1	ZINC000128182747	582122104	/nfs/dbraw/zinc/12/21/04/582122104.db2.gz	AFAGCYUJZLCEQG-UHFFFAOYSA-N	0	2	256.327	-0.418	20	30		CBEDLN
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C#CCONC(=O)CNC(=O)c1ccc2c(c1)OCO2	ZINC000812783314	582452874	/nfs/dbraw/zinc/45/28/74/582452874.db2.gz	JJFAVYJTAANYTJ-UHFFFAOYSA-N	0	2	276.248	-0.174	20	30		CBEDLN
C#CCOCCC(=O)NS(=O)(=O)c1cncc(C#N)c1	ZINC000813981644	582455591	/nfs/dbraw/zinc/45/55/91/582455591.db2.gz	SWGQGFSCRMVTRQ-UHFFFAOYSA-N	0	2	293.304	-0.202	20	30		CBEDLN
COc1cc(F)cc(NN=C2C(=O)NC(=O)NC2=O)c1	ZINC000814223170	582456016	/nfs/dbraw/zinc/45/60/16/582456016.db2.gz	CVJSBYVLRFDDNH-UHFFFAOYSA-N	0	2	280.215	-0.032	20	30		CBEDLN
COc1ccc(CNN=C2C(=O)NC(=O)NC2=O)cc1	ZINC000814218452	582456020	/nfs/dbraw/zinc/45/60/20/582456020.db2.gz	ONVQJVFIPIIPRN-UHFFFAOYSA-N	0	2	276.252	-0.493	20	30		CBEDLN
CC(C)(C)OC(=O)CCNN=C1C(=O)NC(=O)NC1=O	ZINC000814227682	582456197	/nfs/dbraw/zinc/45/61/97/582456197.db2.gz	YWYDEJIJUDOWEW-UHFFFAOYSA-N	0	2	284.272	-0.970	20	30		CBEDLN
C[C@H]1C[N@H+](CCNC(=O)[C@@](C)(C#N)CC(=O)[O-])CCO1	ZINC000820252107	582560677	/nfs/dbraw/zinc/56/06/77/582560677.db2.gz	ZSUVKHZMQYGILT-GXFFZTMASA-N	0	2	283.328	-0.172	20	30		CBEDLN
C[C@H]1C[N@@H+](CCNC(=O)[C@@](C)(C#N)CC(=O)[O-])CCO1	ZINC000820252107	582560680	/nfs/dbraw/zinc/56/06/80/582560680.db2.gz	ZSUVKHZMQYGILT-GXFFZTMASA-N	0	2	283.328	-0.172	20	30		CBEDLN
C#CCO[N-]C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1	ZINC000825138267	582726241	/nfs/dbraw/zinc/72/62/41/582726241.db2.gz	YJQWGNOOXFGPED-NEPJUHHUSA-N	0	2	268.313	-0.453	20	30		CBEDLN
C#CCNC(=O)C[N@@H+](C)[C@@H](COC(C)C)C(=O)[O-]	ZINC000825619500	582742442	/nfs/dbraw/zinc/74/24/42/582742442.db2.gz	NQULSIPDPHVDDI-JTQLQIEISA-N	0	2	256.302	-0.454	20	30		CBEDLN
C#CCNC(=O)C[N@H+](C)[C@@H](COC(C)C)C(=O)[O-]	ZINC000825619500	582742443	/nfs/dbraw/zinc/74/24/43/582742443.db2.gz	NQULSIPDPHVDDI-JTQLQIEISA-N	0	2	256.302	-0.454	20	30		CBEDLN
C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@](F)(C(=O)[O-])C1	ZINC000825687113	582744082	/nfs/dbraw/zinc/74/40/82/582744082.db2.gz	CBKKDAOQHBTKPF-PRHODGIISA-N	0	2	287.291	-0.115	20	30		CBEDLN
C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@](F)(C(=O)[O-])C1	ZINC000825687113	582744083	/nfs/dbraw/zinc/74/40/83/582744083.db2.gz	CBKKDAOQHBTKPF-PRHODGIISA-N	0	2	287.291	-0.115	20	30		CBEDLN
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@](F)(C(=O)[O-])C1	ZINC000825687115	582744140	/nfs/dbraw/zinc/74/41/40/582744140.db2.gz	CBKKDAOQHBTKPF-QPUJVOFHSA-N	0	2	287.291	-0.115	20	30		CBEDLN
C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@](F)(C(=O)[O-])C1	ZINC000825687115	582744143	/nfs/dbraw/zinc/74/41/43/582744143.db2.gz	CBKKDAOQHBTKPF-QPUJVOFHSA-N	0	2	287.291	-0.115	20	30		CBEDLN
N#Cc1nc(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[nH]c1C#N	ZINC000826387761	582770307	/nfs/dbraw/zinc/77/03/07/582770307.db2.gz	PVEWADYHLWDMHN-UHFFFAOYSA-N	0	2	294.238	-0.086	20	30		CBEDLN
C=C(C)C[C@H](NC(C)=O)C(=O)NCC(=O)NOC	ZINC000832744789	583042465	/nfs/dbraw/zinc/04/24/65/583042465.db2.gz	JVBFYMOFQBYVKV-VIFPVBQESA-N	0	2	257.290	-0.749	20	30		CBEDLN
C=CCNC(=O)C[N@H+]1CC[C@H](OC)C[C@@H]1C(=O)[O-]	ZINC000833377241	583065119	/nfs/dbraw/zinc/06/51/19/583065119.db2.gz	SRJHBQLLIODHFL-VHSXEESVSA-N	0	2	256.302	-0.147	20	30		CBEDLN
C=CCNC(=O)C[N@@H+]1CC[C@H](OC)C[C@@H]1C(=O)[O-]	ZINC000833377241	583065122	/nfs/dbraw/zinc/06/51/22/583065122.db2.gz	SRJHBQLLIODHFL-VHSXEESVSA-N	0	2	256.302	-0.147	20	30		CBEDLN
CCS(=O)(=O)CC[NH2+][C@@H]1CN(C(=O)[O-])C[C@@H]1C#N	ZINC000833863052	583087971	/nfs/dbraw/zinc/08/79/71/583087971.db2.gz	GCOXEYIRZYCLQV-DTWKUNHWSA-N	0	2	275.330	-0.487	20	30		CBEDLN
CCONC(=O)CNC(=O)c1cc(C#N)cn1C	ZINC000844779441	583282316	/nfs/dbraw/zinc/28/23/16/583282316.db2.gz	IGAWNEUBCBQENI-UHFFFAOYSA-N	0	2	250.258	-0.306	20	30		CBEDLN
C=CCn1cc(CNC(=O)NCC(=O)NOCC)nn1	ZINC000845534614	583316508	/nfs/dbraw/zinc/31/65/08/583316508.db2.gz	GOGMBFKSDKARFS-UHFFFAOYSA-N	0	2	282.304	-0.669	20	30		CBEDLN
CCONC(=O)CNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1	ZINC000845546205	583322371	/nfs/dbraw/zinc/32/23/71/583322371.db2.gz	QJDQLKXUQPKBAP-NSHDSACASA-N	0	2	295.343	-0.564	20	30		CBEDLN
CCONC(=O)CNc1ccc(S(N)(=O)=O)cc1C#N	ZINC000845716236	583334169	/nfs/dbraw/zinc/33/41/69/583334169.db2.gz	UUEXZACXXKFPCH-UHFFFAOYSA-N	0	2	298.324	-0.315	20	30		CBEDLN
C=CCOCCCNC(=O)NCC(=O)NOCC	ZINC000852399246	583543980	/nfs/dbraw/zinc/54/39/80/583543980.db2.gz	FEQVPZHBGWYORW-UHFFFAOYSA-N	0	2	259.306	-0.054	20	30		CBEDLN
C#C[C@H](CO)NC(=O)C(C)(C)NC(=O)C(F)(F)F	ZINC000854774989	583621271	/nfs/dbraw/zinc/62/12/71/583621271.db2.gz	BUFTXDSYWDBFBO-ZCFIWIBFSA-N	0	2	266.219	-0.446	20	30		CBEDLN
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C#CCNC(=O)C[NH+]1C[C@@H](C)N(C(=O)[O-])[C@H](C)C1	ZINC000738463069	602839969	/nfs/dbraw/zinc/83/99/69/602839969.db2.gz	LUYYIFFFMWHZSU-NXEZZACHSA-N	0	2	253.302	-0.192	20	30		CBEDLN
C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)[O-])C1	ZINC000738496467	605914772	/nfs/dbraw/zinc/91/47/72/605914772.db2.gz	ZCBAUGQARBNZBX-QMMMGPOBSA-N	0	2	270.289	-0.660	20	30		CBEDLN
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C=C(C)C[NH+]1CC(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC001030616924	799351871	/nfs/dbraw/zinc/35/18/71/799351871.db2.gz	PBFHHJPYQQUJSC-UHFFFAOYSA-N	0	2	265.273	-0.727	20	30		CBEDLN
C=CCCC(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[nH]2)C[C@@H]1O	ZINC001099727404	810919288	/nfs/dbraw/zinc/91/92/88/810919288.db2.gz	OSCIOAILXGVPNI-ZJUUUORDSA-N	0	2	295.343	-0.472	20	30		CBEDLN
C#CCN1CCO[C@@](C)(CNC(=O)c2cnn[nH]2)C1	ZINC001108043435	811405725	/nfs/dbraw/zinc/40/57/25/811405725.db2.gz	KNOADZKOFRVOLG-LBPRGKRZSA-N	0	2	263.301	-0.741	20	30		CBEDLN
C=C[C@@](C)(O)CC(=O)N1CCN(Cc2n[nH]c(=O)[nH]2)CC1	ZINC001112814866	811600809	/nfs/dbraw/zinc/60/08/09/811600809.db2.gz	XBMGQVJAXJCXPZ-CYBMUJFWSA-N	0	2	295.343	-0.518	20	30		CBEDLN
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Cn1c(=O)[nH]c(NCCOCC(F)(F)F)c(C#N)c1=O	ZINC001120798337	813019098	/nfs/dbraw/zinc/01/90/98/813019098.db2.gz	UKQKWRZVGFECQQ-UHFFFAOYSA-N	0	2	292.217	-0.064	20	30		CBEDLN
Cn1c(=O)[nH]c(N[C@H]2CCCOCC2)c(C#N)c1=O	ZINC001120830878	813022837	/nfs/dbraw/zinc/02/28/37/813022837.db2.gz	YGACSSMHQWYYIK-QMMMGPOBSA-N	0	2	264.285	-0.074	20	30		CBEDLN
C[C@H]1CN(c2[nH]c(=O)n(C)c(=O)c2C#N)CCC1=O	ZINC001120837004	813022849	/nfs/dbraw/zinc/02/28/49/813022849.db2.gz	SVXCDWWWLDJGKA-ZETCQYMHSA-N	0	2	262.269	-0.639	20	30		CBEDLN
C[C@@H]1CC[C@H](CNc2[nH]c(=O)n(C)c(=O)c2C#N)O1	ZINC001120857265	813024545	/nfs/dbraw/zinc/02/45/45/813024545.db2.gz	WPPBNTVFNBCOKK-HTQZYQBOSA-N	0	2	264.285	-0.075	20	30		CBEDLN
Cn1c(=O)[nH]c(NCC[C@H]2CCCO2)c(C#N)c1=O	ZINC001120874204	813025854	/nfs/dbraw/zinc/02/58/54/813025854.db2.gz	JTEVLSNRLTYWGB-MRVPVSSYSA-N	0	2	264.285	-0.074	20	30		CBEDLN
Cn1c(=O)[nH]c(N[C@H]2CCCOC2)c(C#N)c1=O	ZINC001120934894	813029497	/nfs/dbraw/zinc/02/94/97/813029497.db2.gz	JYSSZPLPWIFTSI-ZETCQYMHSA-N	0	2	250.258	-0.464	20	30		CBEDLN
COCCN(CC#N)C(=O)Cn1[nH]cc2c(=O)ncnc1-2	ZINC001141804820	814665940	/nfs/dbraw/zinc/66/59/40/814665940.db2.gz	VSXOQXBBHANEGK-UHFFFAOYSA-N	0	2	290.283	-0.930	20	30		CBEDLN
C[C@@H](O)C[C@@H](C)CNc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001162591479	815835424	/nfs/dbraw/zinc/83/54/24/815835424.db2.gz	LLGLHWBOASQEJF-HTQZYQBOSA-N	0	2	266.301	-0.236	20	30		CBEDLN
C[C@H](O)C(C)(C)Nc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001162978634	815852104	/nfs/dbraw/zinc/85/21/04/815852104.db2.gz	DBWRPSDPAWMLDA-LURJTMIESA-N	0	2	252.274	-0.483	20	30		CBEDLN
C[C@H](CCCO)Nc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001306994116	816794996	/nfs/dbraw/zinc/79/49/96/816794996.db2.gz	RDJHOPILSLQCHZ-SSDOTTSWSA-N	0	2	252.274	-0.482	20	30		CBEDLN
CC[C@@H]1CN(c2[nH]c(=O)n(C)c(=O)c2C#N)C[C@H]1O	ZINC001307087958	816795513	/nfs/dbraw/zinc/79/55/13/816795513.db2.gz	ZDZLJZMUEGGLSI-VXNVDRBHSA-N	0	2	264.285	-0.848	20	30		CBEDLN
COc1cc(Cn2c(=O)[nH]cc(C#N)c2=O)ccn1	ZINC001307359476	816800135	/nfs/dbraw/zinc/80/01/35/816800135.db2.gz	GBNIZNFQNZRNOU-UHFFFAOYSA-N	0	2	258.237	-0.140	20	30		CBEDLN
N#CC1(NC(=O)C[C@@H]2SC(=N)NC2=O)CCOCC1	ZINC001318737645	817138162	/nfs/dbraw/zinc/13/81/62/817138162.db2.gz	TXASYTHVGFJTMX-ZETCQYMHSA-N	0	2	282.325	-0.268	20	30		CBEDLN
C=C[C@@H](COC)NC(=O)C[C@H]1SC(=N)NC1=O	ZINC001320446849	817338556	/nfs/dbraw/zinc/33/85/56/817338556.db2.gz	GPHWFPJITVVALA-NKWVEPMBSA-N	0	2	257.315	-0.140	20	30		CBEDLN
CC[C@@H](C#N)NC(=O)Cn1[nH]cc2c(=O)ncnc1-2	ZINC001320554402	817354165	/nfs/dbraw/zinc/35/41/65/817354165.db2.gz	XNULLCBOAOVPEP-ZETCQYMHSA-N	0	2	260.257	-0.510	20	30		CBEDLN
N#CC(Cc1ccc(O)cc1)C(=O)N[C@@H](C#N)C(N)=O	ZINC001183614056	821011080	/nfs/dbraw/zinc/01/10/80/821011080.db2.gz	XAGVYXXIQBBSPN-KOLCDFICSA-N	0	2	272.264	-0.432	20	30		CBEDLN
Cn1c(=O)[nH]c(N2CCC[C@@H](CO)C2)c(C#N)c1=O	ZINC001184608918	821081297	/nfs/dbraw/zinc/08/12/97/821081297.db2.gz	ZLBKDVSPWDWGAG-MRVPVSSYSA-N	0	2	264.285	-0.846	20	30		CBEDLN
Cn1c(=O)[nH]c(N2CCC[C@H](CO)C2)c(C#N)c1=O	ZINC001184608919	821081905	/nfs/dbraw/zinc/08/19/05/821081905.db2.gz	ZLBKDVSPWDWGAG-QMMMGPOBSA-N	0	2	264.285	-0.846	20	30		CBEDLN
Cn1c(=O)[nH]c(NC2(CO)CCCC2)c(C#N)c1=O	ZINC001185630313	821136515	/nfs/dbraw/zinc/13/65/15/821136515.db2.gz	LNPPZBKXLCERIZ-UHFFFAOYSA-N	0	2	264.285	-0.338	20	30		CBEDLN
CC(=O)c1cc(Cn2c(=O)[nH]cc(C#N)c2=O)on1	ZINC001189567372	823767244	/nfs/dbraw/zinc/76/72/44/823767244.db2.gz	RKEFZQPMDIZNKA-UHFFFAOYSA-N	0	2	260.209	-0.353	20	30		CBEDLN
COc1nc(NS(=O)(=O)[C@H](C)C#N)cc(=O)[nH]1	ZINC001193104852	824004083	/nfs/dbraw/zinc/00/40/83/824004083.db2.gz	NPOCGIFARKRJQS-RXMQYKEDSA-N	0	2	258.259	-0.155	20	30		CBEDLN
C#CCN1C[C@@H](O)[C@H](NC(=O)C(F)C(F)(F)F)C1	ZINC001193131698	824007100	/nfs/dbraw/zinc/00/71/00/824007100.db2.gz	SZXQWHNMGQENIQ-PRJMDXOYSA-N	0	2	268.210	-0.319	20	30		CBEDLN
C[C@H](C#N)S(=O)(=O)N[C@H]1COCCC12OCCO2	ZINC001193170143	824011323	/nfs/dbraw/zinc/01/13/23/824011323.db2.gz	FPRJOXMCWTZWHZ-BDAKNGLRSA-N	0	2	276.314	-0.650	20	30		CBEDLN
CCOC(=O)[C@@H](NS(=O)(=O)[C@H](C)C#N)[C@@H](C)O	ZINC001193168735	824011588	/nfs/dbraw/zinc/01/15/88/824011588.db2.gz	JDCRLJDVJYWGLI-PRJMDXOYSA-N	0	2	264.303	-0.870	20	30		CBEDLN
COC(=O)[C@]1(NS(=O)(=O)[C@H](C)C#N)CCOC1	ZINC001193195373	824014389	/nfs/dbraw/zinc/01/43/89/824014389.db2.gz	ZWYLKMHALWPHTJ-APPZFPTMSA-N	0	2	262.287	-0.850	20	30		CBEDLN
N#C[C@@H]1CN(S(=O)(=O)C[C@H]2CCCO2)CCC1=O	ZINC001193237932	824017054	/nfs/dbraw/zinc/01/70/54/824017054.db2.gz	NDSBAJADWITQFP-NXEZZACHSA-N	0	2	272.326	-0.090	20	30		CBEDLN
N#Cc1ccc(C(=O)Nc2c(N)c(=O)c2=O)c(O)c1	ZINC001195733587	824129889	/nfs/dbraw/zinc/12/98/89/824129889.db2.gz	RVPYTXAUHKLSCQ-UHFFFAOYSA-N	0	2	257.205	-0.306	20	30		CBEDLN
C[C@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2n[nH]c(=O)[n-]2)C[C@H]1C	ZINC001206659272	824404904	/nfs/dbraw/zinc/40/49/04/824404904.db2.gz	HWJDNIIJILVZMC-IWSPIJDZSA-N	0	2	278.316	-0.394	20	30		CBEDLN
C[C@H](C#N)C(=O)N[C@@H]1C[N@@H+](Cc2n[nH]c(=O)[n-]2)C[C@H]1C	ZINC001206659272	824404905	/nfs/dbraw/zinc/40/49/05/824404905.db2.gz	HWJDNIIJILVZMC-IWSPIJDZSA-N	0	2	278.316	-0.394	20	30		CBEDLN
C#C[C@](C)([NH3+])C(=O)Nc1cc(C(=O)OCC)[nH]n1	ZINC001218510916	824577419	/nfs/dbraw/zinc/57/74/19/824577419.db2.gz	PZZAAMPOWBOYST-NSHDSACASA-N	0	2	250.258	-0.125	20	30		CBEDLN
C#C[C@](C)(N)C(=O)Nc1nc(C(=O)OCC)c[nH]1	ZINC001218527005	824582457	/nfs/dbraw/zinc/58/24/57/824582457.db2.gz	ANRLDNVKQZEYRV-NSHDSACASA-N	0	2	250.258	-0.125	20	30		CBEDLN
C=CC(C)(C)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[nH]2)C[C@@H]1O	ZINC001220141472	824966113	/nfs/dbraw/zinc/96/61/13/824966113.db2.gz	SXJMHUVUQSBCSV-BDAKNGLRSA-N	0	2	295.343	-0.616	20	30		CBEDLN
O=C1C=C[C@@H](Oc2[nH]c(=O)nc3c(=O)[nH]c(=O)[nH]c32)C1	ZINC001226887113	825291557	/nfs/dbraw/zinc/29/15/57/825291557.db2.gz	ZINKSPPEPMAVEN-RXMQYKEDSA-N	0	2	276.208	-0.187	20	30		CBEDLN
C[N@H+]1[C@@H]2C[C@@H](Oc3nc(=O)[n-]c(=O)[nH]3)C[C@H]1[C@@H]1O[C@@H]12	ZINC001227571637	825304330	/nfs/dbraw/zinc/30/43/30/825304330.db2.gz	XJPSAKACBCPVAL-RZVDLVGDSA-N	0	2	266.257	-0.726	20	30		CBEDLN
C[N@@H+]1[C@@H]2C[C@@H](Oc3nc(=O)[n-]c(=O)[nH]3)C[C@H]1[C@@H]1O[C@@H]12	ZINC001227571637	825304340	/nfs/dbraw/zinc/30/43/40/825304340.db2.gz	XJPSAKACBCPVAL-RZVDLVGDSA-N	0	2	266.257	-0.726	20	30		CBEDLN
C[C@@H](C#N)C(=O)N(C)C[C@@H]1CCN1Cc1n[nH]c(=O)[nH]1	ZINC001231292939	825402415	/nfs/dbraw/zinc/40/24/15/825402415.db2.gz	HDWHRQDVLMHDQU-IUCAKERBSA-N	0	2	278.316	-0.297	20	30		CBEDLN
CCOC(=O)[C@H](C#N)NS(=O)(=O)c1cnn(C)c1	ZINC001259829931	826102079	/nfs/dbraw/zinc/10/20/79/826102079.db2.gz	PYYYUICORFYWGS-QMMMGPOBSA-N	0	2	272.286	-0.846	20	30		CBEDLN
CCOC(=O)[C@@H](C#N)NS(=O)(=O)c1cnn(CC)c1	ZINC001259841918	826103073	/nfs/dbraw/zinc/10/30/73/826103073.db2.gz	OWLTYECCNRGWOP-SECBINFHSA-N	0	2	286.313	-0.363	20	30		CBEDLN
C#CCCS(=O)(=O)NCc1nnc(COC)[nH]1	ZINC001261580504	826542822	/nfs/dbraw/zinc/54/28/22/826542822.db2.gz	SCKOZTDZDTWVHP-UHFFFAOYSA-N	0	2	258.303	-0.606	20	30		CBEDLN
C=C[C@](C)(O)CC(=O)NCC[N@@H+](C)Cc1n[nH]c(=O)[n-]1	ZINC001266272629	826969267	/nfs/dbraw/zinc/96/92/67/826969267.db2.gz	ZJZKYUHOABWCTO-LBPRGKRZSA-N	0	2	283.332	-0.615	20	30		CBEDLN
C=C[C@](C)(O)CC(=O)NCC[N@H+](C)Cc1n[nH]c(=O)[n-]1	ZINC001266272629	826969271	/nfs/dbraw/zinc/96/92/71/826969271.db2.gz	ZJZKYUHOABWCTO-LBPRGKRZSA-N	0	2	283.332	-0.615	20	30		CBEDLN
C=CCOCC(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[nH]2)C1	ZINC001266308409	826975706	/nfs/dbraw/zinc/97/57/06/826975706.db2.gz	VXHIYFNYBWWHKO-SECBINFHSA-N	0	2	281.316	-0.597	20	30		CBEDLN
C#CCC[NH+]1CC(NC(=O)CCCn2c(=O)[n-][nH]c2=O)C1	ZINC001267651143	827191754	/nfs/dbraw/zinc/19/17/54/827191754.db2.gz	WJLOPKRZDYVSQY-UHFFFAOYSA-N	0	2	293.327	-0.707	20	30		CBEDLN
CC(C)C#CC(=O)NC1CN(Cc2n[nH]c(=O)[nH]2)C1	ZINC001268294595	827277956	/nfs/dbraw/zinc/27/79/56/827277956.db2.gz	AQXDZIQJEXLMQX-UHFFFAOYSA-N	0	2	263.301	-0.530	20	30		CBEDLN
C=C[C@@](C)(O)CC(=O)NCC1CN(Cc2n[nH]c(=O)[nH]2)C1	ZINC001268822091	827425880	/nfs/dbraw/zinc/42/58/80/827425880.db2.gz	DGDJTWDMTQMDMQ-CYBMUJFWSA-N	0	2	295.343	-0.615	20	30		CBEDLN
Cn1c(=O)[nH]c(N2C[C@@H]3COC[C@@H]3C2)c(C#N)c1=O	ZINC001337159336	888970459	/nfs/dbraw/zinc/97/04/59/888970459.db2.gz	RAMWXPRKSXWVIF-OCAPTIKFSA-N	0	2	262.269	-0.972	20	30		CBEDLN
COCC#CC(=O)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1	ZINC001328297668	885627173	/nfs/dbraw/zinc/62/71/73/885627173.db2.gz	VHWVOSKZTDVJDY-SECBINFHSA-N	0	2	264.285	-0.134	20	30		CBEDLN
COC[C@](C)(C#N)NC(=O)C[C@H]1SC(=N)NC1=O	ZINC001334174953	887885327	/nfs/dbraw/zinc/88/53/27/887885327.db2.gz	SHFYKDXLSDHLGS-LDWIPMOCSA-N	0	2	270.314	-0.412	20	30		CBEDLN
COC[C@@](C)(C#N)NC(=O)Cn1[nH]cc2c(=O)ncnc1-2	ZINC001334169936	887885628	/nfs/dbraw/zinc/88/56/28/887885628.db2.gz	BBTDPYQSLHXGRX-GFCCVEGCSA-N	0	2	290.283	-0.884	20	30		CBEDLN
Cn1c(=O)[nH]c(N[C@H]2CCSC2)c(C#N)c1=O	ZINC001336526445	888786190	/nfs/dbraw/zinc/78/61/90/888786190.db2.gz	CFUWLVASATUUET-LURJTMIESA-N	0	2	252.299	-0.137	20	30		CBEDLN
C[C@@H]1COCCCN1c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001337079580	888958635	/nfs/dbraw/zinc/95/86/35/888958635.db2.gz	BFIYWQMJVIJZQK-MRVPVSSYSA-N	0	2	264.285	-0.440	20	30		CBEDLN
COCCNC(=O)C(C#N)=C([O-])c1c[nH+]c2n1CCC2	ZINC001342631286	889803756	/nfs/dbraw/zinc/80/37/56/889803756.db2.gz	OEFJQBAKDLLSOP-SECBINFHSA-N	0	2	276.296	-0.086	20	30		CBEDLN
N#CCCOCCOC(=O)Cn1[nH]cc2c(=O)ncnc1-2	ZINC001343901902	889974359	/nfs/dbraw/zinc/97/43/59/889974359.db2.gz	IMQGCOWTJOUFON-UHFFFAOYSA-N	0	2	291.267	-0.455	20	30		CBEDLN
Cn1c(CC#N)nnc1SCc1n[nH]c(=O)[nH]1	ZINC001344415639	890026936	/nfs/dbraw/zinc/02/69/36/890026936.db2.gz	JGVOPXFRTUWZDM-UHFFFAOYSA-N	0	2	251.275	-0.003	20	30		CBEDLN
CO[C@H]1CC[C@@H](Nc2[nH]c(=O)n(C)c(=O)c2C#N)C1	ZINC001354170541	891526012	/nfs/dbraw/zinc/52/60/12/891526012.db2.gz	CUTZJWJXSWMWKU-SFYZADRCSA-N	0	2	264.285	-0.075	20	30		CBEDLN
Cn1c(=O)[nH]c(N2CC[C@]23CCOC3)c(C#N)c1=O	ZINC001354217421	891538938	/nfs/dbraw/zinc/53/89/38/891538938.db2.gz	UAVRUCBVAUTVCN-GFCCVEGCSA-N	0	2	262.269	-0.686	20	30		CBEDLN
Cc1cc(C#N)cnc1C(=O)Nn1ccc(=O)[nH]c1=O	ZINC001363056742	893312252	/nfs/dbraw/zinc/31/22/52/893312252.db2.gz	SYUFGRUGPSIFRS-UHFFFAOYSA-N	0	2	271.236	-0.092	20	30		CBEDLN
Cn1c(=O)[nH]c(N2CCC[C@@H]3COC[C@@H]32)c(C#N)c1=O	ZINC001363150901	893410503	/nfs/dbraw/zinc/41/05/03/893410503.db2.gz	AONQFGWCEYAIBY-SCZZXKLOSA-N	0	2	276.296	-0.440	20	30		CBEDLN
COC(=O)CC(C)(C)CNc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001363161322	893416631	/nfs/dbraw/zinc/41/66/31/893416631.db2.gz	DHDBBBFKFQVYSU-UHFFFAOYSA-N	0	2	294.311	-0.054	20	30		CBEDLN
CC(=O)N1CCN(c2[nH]c(=O)n(C)c(=O)c2C#N)[C@@H](C)C1	ZINC001363724595	893943110	/nfs/dbraw/zinc/94/31/10/893943110.db2.gz	BQMNMSUCMVRYDC-QMMMGPOBSA-N	0	2	291.311	-0.998	20	30		CBEDLN
C[C@@H]1CC[C@@H](C(N)=O)CN1c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001363723773	893943695	/nfs/dbraw/zinc/94/36/95/893943695.db2.gz	SUAUFUZFNPXSBU-HTQZYQBOSA-N	0	2	291.311	-0.965	20	30		CBEDLN
Cn1c(=O)[nH]c(N[C@@H]2CCCC[C@@H]2C(N)=O)c(C#N)c1=O	ZINC001363732640	893947806	/nfs/dbraw/zinc/94/78/06/893947806.db2.gz	LCXKTVRZCMTYCA-IONNQARKSA-N	0	2	291.311	-0.599	20	30		CBEDLN
Cn1c(=O)[nH]c(N2CC[C@@H](O)CC(C)(C)C2)c(C#N)c1=O	ZINC001363737259	893951905	/nfs/dbraw/zinc/95/19/05/893951905.db2.gz	XFTQCUBRVBSKFX-SECBINFHSA-N	0	2	292.339	-0.067	20	30		CBEDLN
CCN(CC)C(=O)CN(C)c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001363738986	893953842	/nfs/dbraw/zinc/95/38/42/893953842.db2.gz	REFQGODYNIJONX-UHFFFAOYSA-N	0	2	293.327	-0.750	20	30		CBEDLN
CS(=O)(=O)c1ccc(Cn2c(=O)[nH]cc(C#N)c2=O)o1	ZINC001363766279	893975182	/nfs/dbraw/zinc/97/51/82/893975182.db2.gz	YPIHWXPZWRKZCK-UHFFFAOYSA-N	0	2	295.276	-0.547	20	30		CBEDLN
CC(=O)N1CCCN(c2[nH]c(=O)n(C)c(=O)c2C#N)CC1	ZINC001364131128	894208318	/nfs/dbraw/zinc/20/83/18/894208318.db2.gz	UBLRZYKPLGTOTQ-UHFFFAOYSA-N	0	2	291.311	-0.996	20	30		CBEDLN
CCn1cc(CNc2[nH]c(=O)n(C)c(=O)c2C#N)cn1	ZINC001364178352	894234978	/nfs/dbraw/zinc/23/49/78/894234978.db2.gz	MAXSQJBSNCFQBY-UHFFFAOYSA-N	0	2	274.284	-0.226	20	30		CBEDLN
Cn1c(=O)[nH]c(NCCC2(C)OCCO2)c(C#N)c1=O	ZINC001364181887	894235521	/nfs/dbraw/zinc/23/55/21/894235521.db2.gz	JEUDUCJPJYLOQY-UHFFFAOYSA-N	0	2	280.284	-0.490	20	30		CBEDLN
CC(C)OC(=O)[C@H](C)N(C)c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001364189285	894241342	/nfs/dbraw/zinc/24/13/42/894241342.db2.gz	GQUMUFZLHPQCFM-QMMMGPOBSA-N	0	2	294.311	-0.278	20	30		CBEDLN
COC(=O)[C@H]1C[C@@H](Nc2[nH]c(=O)n(C)c(=O)c2C#N)C1	ZINC001364206522	894252043	/nfs/dbraw/zinc/25/20/43/894252043.db2.gz	XXHDSFTXYSNSEC-KNVOCYPGSA-N	0	2	278.268	-0.691	20	30		CBEDLN
CCn1cc(CNc2[nH]c(=O)n(C)c(=O)c2C#N)nn1	ZINC001364208523	894256029	/nfs/dbraw/zinc/25/60/29/894256029.db2.gz	HWWLSSDYUSWPJN-UHFFFAOYSA-N	0	2	275.272	-0.831	20	30		CBEDLN
Cn1c(=O)[nH]c(N2CC[C@H](c3nnc[nH]3)C2)c(C#N)c1=O	ZINC001364212739	894260151	/nfs/dbraw/zinc/26/01/51/894260151.db2.gz	PAPQVQLRPXKODX-ZETCQYMHSA-N	0	2	287.283	-0.943	20	30		CBEDLN
CCOC(=O)[C@H](C)N(C)c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001364250810	894285697	/nfs/dbraw/zinc/28/56/97/894285697.db2.gz	POKOJJUTSFIVGA-ZETCQYMHSA-N	0	2	280.284	-0.667	20	30		CBEDLN
CCNC(=O)C[N@H+](C)Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001364380477	894379856	/nfs/dbraw/zinc/37/98/56/894379856.db2.gz	BBDKUDCPKMBUJM-UHFFFAOYSA-N	0	2	288.311	-0.126	20	30		CBEDLN
CCNC(=O)C[N@@H+](C)Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001364380477	894379872	/nfs/dbraw/zinc/37/98/72/894379872.db2.gz	BBDKUDCPKMBUJM-UHFFFAOYSA-N	0	2	288.311	-0.126	20	30		CBEDLN
C[C@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)c1nncn1C	ZINC001364532656	894479559	/nfs/dbraw/zinc/47/95/59/894479559.db2.gz	LABWMUAYIKZWRW-LURJTMIESA-N	0	2	275.272	-0.753	20	30		CBEDLN
Cc1nccc(CNc2[nH]c(=O)n(C)c(=O)c2C#N)n1	ZINC001364539394	894484682	/nfs/dbraw/zinc/48/46/82/894484682.db2.gz	UUVAJLHNNISJFQ-UHFFFAOYSA-N	0	2	272.268	-0.344	20	30		CBEDLN
CNC(=O)[C@H]1CCC[C@@H]1Nc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001364556815	894495020	/nfs/dbraw/zinc/49/50/20/894495020.db2.gz	DYSVTKDIWMCQGM-CBAPKCEASA-N	0	2	291.311	-0.728	20	30		CBEDLN
Cn1c(=O)[nH]c(NC2CN(c3ccncn3)C2)c(C#N)c1=O	ZINC001364586869	894506987	/nfs/dbraw/zinc/50/69/87/894506987.db2.gz	XJKCUTIUZYGCNN-UHFFFAOYSA-N	0	2	299.294	-0.964	20	30		CBEDLN
N#Cc1c[nH]c(=O)n(CC(=O)NCc2cccs2)c1=O	ZINC001364614962	894524966	/nfs/dbraw/zinc/52/49/66/894524966.db2.gz	HLNMDCSOXKRFFN-UHFFFAOYSA-N	0	2	290.304	-0.214	20	30		CBEDLN
Cc1cc(CN(C)c2[nH]c(=O)n(C)c(=O)c2C#N)no1	ZINC001365204895	894817902	/nfs/dbraw/zinc/81/79/02/894817902.db2.gz	AGSIJDSLUDBCSQ-UHFFFAOYSA-N	0	2	275.268	-0.122	20	30		CBEDLN
Cn1c(=O)[nH]c(N[C@@H]2CCCCNC2=O)c(C#N)c1=O	ZINC001365215794	894823460	/nfs/dbraw/zinc/82/34/60/894823460.db2.gz	RBVNUBWTUMTBOU-MRVPVSSYSA-N	0	2	277.284	-0.974	20	30		CBEDLN
Cn1c(=O)[nH]c(NC[C@]2(O)CCSC2)c(C#N)c1=O	ZINC001365218396	894826119	/nfs/dbraw/zinc/82/61/19/894826119.db2.gz	VVOVPXDLYWQXGC-LLVKDONJSA-N	0	2	282.325	-0.775	20	30		CBEDLN
COC[C@@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)[C@@H]1CCCO1	ZINC001365220656	894826228	/nfs/dbraw/zinc/82/62/28/894826228.db2.gz	DOCJJBPEZRBNCC-ZJUUUORDSA-N	0	2	294.311	-0.449	20	30		CBEDLN
Cn1c(=O)[nH]c(N2CC[C@](O)(C(F)F)C2)c(C#N)c1=O	ZINC001365228409	894833962	/nfs/dbraw/zinc/83/39/62/894833962.db2.gz	XQUVKORNTBRQSG-LLVKDONJSA-N	0	2	286.238	-0.848	20	30		CBEDLN
CCn1ccc(CNc2[nH]c(=O)n(C)c(=O)c2C#N)n1	ZINC001365228205	894834776	/nfs/dbraw/zinc/83/47/76/894834776.db2.gz	CSBNDQBZVWRJOR-UHFFFAOYSA-N	0	2	274.284	-0.226	20	30		CBEDLN
Cn1c(=O)[nH]c(N[C@H]2CCCC23OCCO3)c(C#N)c1=O	ZINC001365238140	894837610	/nfs/dbraw/zinc/83/76/10/894837610.db2.gz	NUGRDYFVIGJEGI-VIFPVBQESA-N	0	2	292.295	-0.347	20	30		CBEDLN
C#CCONC(=O)c1ccc(-n2[nH]c(=O)[nH]c2=O)cc1	ZINC001453282269	914085354	/nfs/dbraw/zinc/08/53/54/914085354.db2.gz	SYVIZBIOQXDELD-UHFFFAOYSA-N	0	2	274.236	-0.439	20	30		CBEDLN
C[C@H](C#N)C(=O)NC[C@H]1CCC[N@@H+]1Cc1n[nH]c(=O)[n-]1	ZINC001377388759	898032701	/nfs/dbraw/zinc/03/27/01/898032701.db2.gz	SINLQTYGNDPKEX-RKDXNWHRSA-N	0	2	278.316	-0.249	20	30		CBEDLN
C[C@H](C#N)C(=O)NC[C@H]1CCC[N@H+]1Cc1n[nH]c(=O)[n-]1	ZINC001377388759	898032713	/nfs/dbraw/zinc/03/27/13/898032713.db2.gz	SINLQTYGNDPKEX-RKDXNWHRSA-N	0	2	278.316	-0.249	20	30		CBEDLN
C[C@H](C#N)C(=O)N[C@@]1(C)CC[N@H+](Cc2n[nH]c(=O)[n-]2)C1	ZINC001393103327	900792873	/nfs/dbraw/zinc/79/28/73/900792873.db2.gz	LOLNCLXYZYALRE-PELKAZGASA-N	0	2	278.316	-0.249	20	30		CBEDLN
C[C@H](C#N)C(=O)N[C@@]1(C)CC[N@@H+](Cc2n[nH]c(=O)[n-]2)C1	ZINC001393103327	900792882	/nfs/dbraw/zinc/79/28/82/900792882.db2.gz	LOLNCLXYZYALRE-PELKAZGASA-N	0	2	278.316	-0.249	20	30		CBEDLN
N#CC1(C(=O)NCCCc2n[nH]c(=O)[nH]2)CCOCC1	ZINC001457672328	914573902	/nfs/dbraw/zinc/57/39/02/914573902.db2.gz	UGVXPLHQGXNPOW-UHFFFAOYSA-N	0	2	279.300	-0.121	20	30		CBEDLN
COCCN(CCOC)c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001458064927	914623971	/nfs/dbraw/zinc/62/39/71/914623971.db2.gz	OCOIXHUZEAVGDE-UHFFFAOYSA-N	0	2	282.300	-0.956	20	30		CBEDLN
Cn1c(=O)[nH]c(NC[C@H]2CCC[C@H](O)C2)c(C#N)c1=O	ZINC001458201553	914631377	/nfs/dbraw/zinc/63/13/77/914631377.db2.gz	YFVLLZFWFFCGCC-IUCAKERBSA-N	0	2	278.312	-0.092	20	30		CBEDLN
Cn1c(=O)[nH]c(N[C@H](CO)C(C)(C)C)c(C#N)c1=O	ZINC001458202052	914630864	/nfs/dbraw/zinc/63/08/64/914630864.db2.gz	IDAUBIZSUGLUOF-MRVPVSSYSA-N	0	2	266.301	-0.236	20	30		CBEDLN
CC[C@H](O)CCNc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001458238355	914636149	/nfs/dbraw/zinc/63/61/49/914636149.db2.gz	RFXSHPAKCPCWOR-ZETCQYMHSA-N	0	2	252.274	-0.482	20	30		CBEDLN
Cn1c(=O)[nH]c(NCC2([S@](C)=O)CCC2)c(C#N)c1=O	ZINC001458346658	914641831	/nfs/dbraw/zinc/64/18/31/914641831.db2.gz	XTZITJHNTXRQDZ-FQEVSTJZSA-N	0	2	296.352	-0.342	20	30		CBEDLN
Cn1c(=O)[nH]c(N[C@H]2CCCC[C@@H]2O)c(C#N)c1=O	ZINC001458336132	914644246	/nfs/dbraw/zinc/64/42/46/914644246.db2.gz	INSRPWMRXPGSOJ-IUCAKERBSA-N	0	2	264.285	-0.339	20	30		CBEDLN
C[C@@H]1CC[C@@H](O)CN1c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001458474570	914653226	/nfs/dbraw/zinc/65/32/26/914653226.db2.gz	SEZHLGHCMVRQSJ-HTQZYQBOSA-N	0	2	264.285	-0.705	20	30		CBEDLN
Cc1cc(=O)[nH]c(CNc2[nH]c(=O)n(C)c(=O)c2C#N)n1	ZINC001458470153	914653480	/nfs/dbraw/zinc/65/34/80/914653480.db2.gz	QIOMHPCIYITIGO-UHFFFAOYSA-N	0	2	288.267	-0.639	20	30		CBEDLN
Cn1c(=O)[nH]c(N2CC[C@@H](O)CC23CCC3)c(C#N)c1=O	ZINC001458442294	914653993	/nfs/dbraw/zinc/65/39/93/914653993.db2.gz	BSUUYXKQDFQDQI-SECBINFHSA-N	0	2	290.323	-0.171	20	30		CBEDLN
Cn1c(=O)[nH]c(N[C@@H](CO)C[C@@H]2CCCO2)c(C#N)c1=O	ZINC001458599339	914661471	/nfs/dbraw/zinc/66/14/71/914661471.db2.gz	CUYLJLOMFQTEKD-BDAKNGLRSA-N	0	2	294.311	-0.713	20	30		CBEDLN
C[C@@H](O)C[C@H]1CCCN1c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001412883559	904782866	/nfs/dbraw/zinc/78/28/66/904782866.db2.gz	UMQCANNXMUVVRW-RKDXNWHRSA-N	0	2	278.312	-0.315	20	30		CBEDLN
C[C@H](O)C[C@H]1CCCN1c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001412883557	904783435	/nfs/dbraw/zinc/78/34/35/904783435.db2.gz	UMQCANNXMUVVRW-DTWKUNHWSA-N	0	2	278.312	-0.315	20	30		CBEDLN
Cn1c(=O)[nH]c(NC[C@H](CO)[C@@H]2CCOC2)c(C#N)c1=O	ZINC001412885748	904785910	/nfs/dbraw/zinc/78/59/10/904785910.db2.gz	ROJNTKIEIFBVEH-RKDXNWHRSA-N	0	2	294.311	-0.998	20	30		CBEDLN
Cn1c(=O)[nH]c(NC[C@H](CO)[C@H]2CCOC2)c(C#N)c1=O	ZINC001412885741	904786151	/nfs/dbraw/zinc/78/61/51/904786151.db2.gz	ROJNTKIEIFBVEH-DTWKUNHWSA-N	0	2	294.311	-0.998	20	30		CBEDLN
C[C@@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)c1ccnn1C	ZINC001412907035	904791784	/nfs/dbraw/zinc/79/17/84/904791784.db2.gz	UCZZREDXIXUUGN-SSDOTTSWSA-N	0	2	274.284	-0.148	20	30		CBEDLN
Cn1c(=O)[nH]c(NC[C@@H](O)c2cccnc2)c(C#N)c1=O	ZINC001412907221	904793682	/nfs/dbraw/zinc/79/36/82/904793682.db2.gz	WINWWGJAQPBXNH-SNVBAGLBSA-N	0	2	287.279	-0.514	20	30		CBEDLN
C[C@H]1COCCN1CCNc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001413879358	905253783	/nfs/dbraw/zinc/25/37/83/905253783.db2.gz	LJSOUQHHOMZNBB-VIFPVBQESA-N	0	2	293.327	-0.922	20	30		CBEDLN
CO[C@@H]1COCC[C@H]1CNc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001413890216	905258046	/nfs/dbraw/zinc/25/80/46/905258046.db2.gz	VCJBEAPLKNOHKS-WCBMZHEXSA-N	0	2	294.311	-0.591	20	30		CBEDLN
Cn1c(=O)[nH]c(NC[C@@H](O)COCC2CC2)c(C#N)c1=O	ZINC001413885553	905258282	/nfs/dbraw/zinc/25/82/82/905258282.db2.gz	JRHBXCZTOHOCLE-SECBINFHSA-N	0	2	294.311	-0.855	20	30		CBEDLN
C[C@@H]1C[C@@H](CO)CN(c2[nH]c(=O)n(C)c(=O)c2C#N)C1	ZINC001413892623	905262560	/nfs/dbraw/zinc/26/25/60/905262560.db2.gz	JTCQNKVIKQHXEQ-RKDXNWHRSA-N	0	2	278.312	-0.600	20	30		CBEDLN
Cn1c(=O)[nH]c(N[C@H]2C[C@@H](O)C23CCC3)c(C#N)c1=O	ZINC001413902207	905265547	/nfs/dbraw/zinc/26/55/47/905265547.db2.gz	VSOFREASQDQTFK-DTWKUNHWSA-N	0	2	276.296	-0.339	20	30		CBEDLN
CS(=O)(=O)Cc1nnc(CNc2cc(C#N)cnn2)[nH]1	ZINC001413918466	905273217	/nfs/dbraw/zinc/27/32/17/905273217.db2.gz	HLFDSLBVSLZMJR-UHFFFAOYSA-N	0	2	293.312	-0.377	20	30		CBEDLN
CS[C@H](CO)[C@@H](C)Nc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001421077887	907418974	/nfs/dbraw/zinc/41/89/74/907418974.db2.gz	AMBUBSAKTZEKEG-HTRCEHHLSA-N	0	2	284.341	-0.530	20	30		CBEDLN
Cn1c(=O)[nH]c(N2CC(F)(F)C[C@@H]2CO)c(C#N)c1=O	ZINC001421129316	907438039	/nfs/dbraw/zinc/43/80/39/907438039.db2.gz	GKLBMLYUGOBVKI-ZCFIWIBFSA-N	0	2	286.238	-0.848	20	30		CBEDLN
COC(=O)C1=CC[C@H](Nc2[nH]c(=O)n(C)c(=O)c2C#N)C1	ZINC001421190953	907458469	/nfs/dbraw/zinc/45/84/69/907458469.db2.gz	LVQHUSYQWAARKA-QMMMGPOBSA-N	0	2	290.279	-0.381	20	30		CBEDLN
Cn1c(=O)[nH]c(N[C@@H]2CCC3(C2)OCCO3)c(C#N)c1=O	ZINC001434442437	910185032	/nfs/dbraw/zinc/18/50/32/910185032.db2.gz	GVNAAJXZYHBYIU-MRVPVSSYSA-N	0	2	292.295	-0.347	20	30		CBEDLN
CN(Cc1cnccn1)c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001434436191	910185282	/nfs/dbraw/zinc/18/52/82/910185282.db2.gz	PCSJQPSQPNYVFR-UHFFFAOYSA-N	0	2	272.268	-0.628	20	30		CBEDLN
C[C@H](Cc1cn(C)nn1)Nc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001434444893	910188283	/nfs/dbraw/zinc/18/82/83/910188283.db2.gz	AZRNWFZDZFTFIP-SSDOTTSWSA-N	0	2	289.299	-0.883	20	30		CBEDLN
CC(C)C1(O)CCN(c2[nH]c(=O)n(C)c(=O)c2C#N)CC1	ZINC001434450655	910191303	/nfs/dbraw/zinc/19/13/03/910191303.db2.gz	DQZBPRWUFXCKEU-UHFFFAOYSA-N	0	2	292.339	-0.067	20	30		CBEDLN
CC[N@H+](CC(=O)NC)Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001434457092	910201771	/nfs/dbraw/zinc/20/17/71/910201771.db2.gz	MNFZNCSTXBPYPU-UHFFFAOYSA-N	0	2	288.311	-0.126	20	30		CBEDLN
CC[N@@H+](CC(=O)NC)Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001434457092	910201790	/nfs/dbraw/zinc/20/17/90/910201790.db2.gz	MNFZNCSTXBPYPU-UHFFFAOYSA-N	0	2	288.311	-0.126	20	30		CBEDLN
C=CCN(CC(=O)OCC)c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001472731705	915761156	/nfs/dbraw/zinc/76/11/56/915761156.db2.gz	OBUPPRPTESGTRX-UHFFFAOYSA-N	0	2	292.295	-0.499	20	30		CBEDLN
C[C@H](CCNc1[nH]c(=O)n(C)c(=O)c1C#N)[S@@](C)=O	ZINC001472721941	915761320	/nfs/dbraw/zinc/76/13/20/915761320.db2.gz	CMUXWSQHGIHTNW-QOLSBQFWSA-N	0	2	284.341	-0.486	20	30		CBEDLN
CCn1ccnc1CNc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001472792036	915763307	/nfs/dbraw/zinc/76/33/07/915763307.db2.gz	HTBYZSZJAMOMFU-UHFFFAOYSA-N	0	2	274.284	-0.226	20	30		CBEDLN
CCN1CCCN(c2[nH]c(=O)n(C)c(=O)c2C#N)CC1=O	ZINC001472758291	915763473	/nfs/dbraw/zinc/76/34/73/915763473.db2.gz	KAHIIBLUALXCNY-UHFFFAOYSA-N	0	2	291.311	-0.996	20	30		CBEDLN
C[C@@H]1C[C@@H](Nc2[nH]c(=O)n(C)c(=O)c2C#N)c2ncnn21	ZINC001472830627	915768425	/nfs/dbraw/zinc/76/84/25/915768425.db2.gz	GVLGXQMEXOMJRU-HTRCEHHLSA-N	0	2	287.283	-0.345	20	30		CBEDLN
Cn1c(=O)[nH]c(NCc2cncc(C#N)c2)c(C#N)c1=O	ZINC001472880853	915775279	/nfs/dbraw/zinc/77/52/79/915775279.db2.gz	BEXXXPJSWXVCSD-UHFFFAOYSA-N	0	2	282.263	-0.176	20	30		CBEDLN
Cn1c(=O)[nH]c(NCCc2cc[nH]n2)c(C#N)c1=O	ZINC001472867554	915775617	/nfs/dbraw/zinc/77/56/17/915775617.db2.gz	HOFJIPJLRMJHOZ-UHFFFAOYSA-N	0	2	260.257	-0.677	20	30		CBEDLN
CO[C@H]1COCC[C@@H]1N(C)c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001472865614	915775765	/nfs/dbraw/zinc/77/57/65/915775765.db2.gz	RXDGFFMUECRBCM-UWVGGRQHSA-N	0	2	294.311	-0.815	20	30		CBEDLN
C#CCC[NH+]1CC(NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1	ZINC001481568527	916887975	/nfs/dbraw/zinc/88/79/75/916887975.db2.gz	CZSKXMAJULJPLI-UHFFFAOYSA-N	0	2	291.311	-0.961	20	30		CBEDLN
CN(C(=O)C#CC1CC1)[C@@H]1CCN(Cc2n[nH]c(=O)[nH]2)C1	ZINC001481725789	916970697	/nfs/dbraw/zinc/97/06/97/916970697.db2.gz	BZFWRNJXNGBJNN-LLVKDONJSA-N	0	2	289.339	-0.044	20	30		CBEDLN
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Cn1c(=O)[nH]c(NCC2CC3(C2)OCCO3)c(C#N)c1=O	ZINC001413910148	905267151	/nfs/dbraw/zinc/26/71/51/905267151.db2.gz	VJAOZIHQTZTOOB-UHFFFAOYSA-N	0	2	292.295	-0.490	20	30		CBEDLN
CN(Cc1cccc(=O)[nH]1)c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001413909106	905268558	/nfs/dbraw/zinc/26/85/58/905268558.db2.gz	LFXGGLIKQHZJHL-UHFFFAOYSA-N	0	2	287.279	-0.318	20	30		CBEDLN
C[C@@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)[C@@H](O)C(F)(F)F	ZINC001421215075	907467210	/nfs/dbraw/zinc/46/72/10/907467210.db2.gz	DYWZHJXUKCRJPP-INEUFUBQSA-N	0	2	292.217	-0.331	20	30		CBEDLN
COC(=O)[C@@H]1CC[C@H](Nc2[nH]c(=O)n(C)c(=O)c2C#N)C1	ZINC001421268845	907479875	/nfs/dbraw/zinc/47/98/75/907479875.db2.gz	GSQJBSPBOHOTAR-SFYZADRCSA-N	0	2	292.295	-0.301	20	30		CBEDLN
CCOC(=O)[C@H]1CCCN1c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001434445370	910189550	/nfs/dbraw/zinc/18/95/50/910189550.db2.gz	SNVUXHNGOQLAJD-SECBINFHSA-N	0	2	292.295	-0.523	20	30		CBEDLN
CN(c1[nH]c(=O)n(C)c(=O)c1C#N)[C@@H]1CCCC[C@H]1O	ZINC001434447614	910192924	/nfs/dbraw/zinc/19/29/24/910192924.db2.gz	OPYXWOIWIKAFSP-NXEZZACHSA-N	0	2	278.312	-0.315	20	30		CBEDLN
C[C@@H](CCNc1[nH]c(=O)n(C)c(=O)c1C#N)[S@](C)=O	ZINC001472721940	915760166	/nfs/dbraw/zinc/76/01/66/915760166.db2.gz	CMUXWSQHGIHTNW-IIYDVTGLSA-N	0	2	284.341	-0.486	20	30		CBEDLN
C[C@H](CCNc1[nH]c(=O)n(C)c(=O)c1C#N)[S@](C)=O	ZINC001472721942	915761269	/nfs/dbraw/zinc/76/12/69/915761269.db2.gz	CMUXWSQHGIHTNW-XJZHNMMOSA-N	0	2	284.341	-0.486	20	30		CBEDLN
CC(C)C[C@@H](CO)N(C)c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001472762100	915764973	/nfs/dbraw/zinc/76/49/73/915764973.db2.gz	CGTRQVNCLUHKPH-VIFPVBQESA-N	0	2	280.328	-0.212	20	30		CBEDLN
Cn1c(=O)[nH]c(N[C@H]2C[C@@](C)(O)C2)c(C#N)c1=O	ZINC001472809808	915767745	/nfs/dbraw/zinc/76/77/45/915767745.db2.gz	ZFGJGUTXLZFQFL-JCJUMFQOSA-N	0	2	250.258	-0.729	20	30		CBEDLN
CC[C@H](C[C@H](C)O)Nc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001472859364	915772171	/nfs/dbraw/zinc/77/21/71/915772171.db2.gz	XJQVUSVEARRWEK-JGVFFNPUSA-N	0	2	266.301	-0.093	20	30		CBEDLN
COC(=O)c1cncc(Cn2c(=O)[nH]cc(C#N)c2=O)c1	ZINC001473047984	915792317	/nfs/dbraw/zinc/79/23/17/915792317.db2.gz	OITKUHIYIHMPRR-UHFFFAOYSA-N	0	2	286.247	-0.362	20	30		CBEDLN
C=C[C@@](C)(O)CC(=O)N(C)CC[N@H+](C)Cc1n[nH]c(=O)[n-]1	ZINC001496691425	920113969	/nfs/dbraw/zinc/11/39/69/920113969.db2.gz	BICWLSTVJBOICD-CYBMUJFWSA-N	0	2	297.359	-0.272	20	30		CBEDLN
C=C[C@@](C)(O)CC(=O)N(C)CC[N@@H+](C)Cc1n[nH]c(=O)[n-]1	ZINC001496691425	920113980	/nfs/dbraw/zinc/11/39/80/920113980.db2.gz	BICWLSTVJBOICD-CYBMUJFWSA-N	0	2	297.359	-0.272	20	30		CBEDLN
C=CCCOCC(=O)N(C)C1CN(Cc2n[nH]c(=O)[nH]2)C1	ZINC001499805590	920774954	/nfs/dbraw/zinc/77/49/54/920774954.db2.gz	UFYHIEFOHYYNOM-UHFFFAOYSA-N	0	2	295.343	-0.254	20	30		CBEDLN
Cn1c(=O)[nH]c(NC[C@@]2(C)CCOC2)c(C#N)c1=O	ZINC001515460942	922234696	/nfs/dbraw/zinc/23/46/96/922234696.db2.gz	ZBWPRKKWBINLMN-GFCCVEGCSA-N	0	2	264.285	-0.216	20	30		CBEDLN
Cn1c(=O)[nH]c(NC[C@@H]2CCCCO2)c(C#N)c1=O	ZINC001515391574	922234997	/nfs/dbraw/zinc/23/49/97/922234997.db2.gz	SYWWNPOSZPORPO-QMMMGPOBSA-N	0	2	264.285	-0.074	20	30		CBEDLN
C=C(CCC(=O)OC)C(=O)N[C@@H]1CCC(=O)NC1=O	ZINC001545937307	923329866	/nfs/dbraw/zinc/32/98/66/923329866.db2.gz	JXKJTOMKNRZWCG-MRVPVSSYSA-N	0	2	268.269	-0.583	20	30		CBEDLN
CC(C)C#CC(=O)NCc1nnc(CS(C)(=O)=O)[nH]1	ZINC001558551406	924182963	/nfs/dbraw/zinc/18/29/63/924182963.db2.gz	MMCTXUJZRICJCK-UHFFFAOYSA-N	0	2	284.341	-0.375	20	30		CBEDLN
CN(CCCCO)c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001559166376	924211424	/nfs/dbraw/zinc/21/14/24/924211424.db2.gz	JIAPNQOUTROZFC-UHFFFAOYSA-N	0	2	252.274	-0.846	20	30		CBEDLN
Cn1c(=O)[nH]c(N[C@H](CO)CCF)c(C#N)c1=O	ZINC001559226930	924216248	/nfs/dbraw/zinc/21/62/48/924216248.db2.gz	XCNVOPRZQHNCGH-LURJTMIESA-N	0	2	256.237	-0.922	20	30		CBEDLN
C=CCNC(=O)NC(=O)C[N@H+]1CCCC[C@H]1C(=O)[O-]	ZINC000035299312	351387740	/nfs/dbraw/zinc/38/77/40/351387740.db2.gz	GMOJUFUOPHFMIW-VIFPVBQESA-N	0	2	269.301	-0.063	20	30		CBEDLN
C=CCNC(=O)NC(=O)C[N@@H+]1CCCC[C@H]1C(=O)[O-]	ZINC000035299312	351387749	/nfs/dbraw/zinc/38/77/49/351387749.db2.gz	GMOJUFUOPHFMIW-VIFPVBQESA-N	0	2	269.301	-0.063	20	30		CBEDLN
C=C[C@@H](C)NS(=O)(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1	ZINC000152743740	351940819	/nfs/dbraw/zinc/94/08/19/351940819.db2.gz	QOOJSDACZBYHBY-ZCFIWIBFSA-N	0	2	296.308	-0.536	20	30		CBEDLN
COC(=O)[C@@H](CF)NS(=O)(=O)CC1(C#N)CC1	ZINC000344990087	353307462	/nfs/dbraw/zinc/30/74/62/353307462.db2.gz	IKAHDPDVVVMVHU-SSDOTTSWSA-N	0	2	264.278	-0.279	20	30		CBEDLN
CCS(=O)(=O)N(C)CC(=O)Nc1nc(C#N)c(C#N)[nH]1	ZINC000488953489	354428354	/nfs/dbraw/zinc/42/83/54/354428354.db2.gz	VIPYDLSRMQILCM-UHFFFAOYSA-N	0	2	296.312	-0.627	20	30		CBEDLN
CC(C)CNC(=O)Cn1c(=O)[nH]cc(C#N)c1=O	ZINC000566222951	354758202	/nfs/dbraw/zinc/75/82/02/354758202.db2.gz	QROFURWOYCUXPA-UHFFFAOYSA-N	0	2	250.258	-0.820	20	30		CBEDLN
Cc1noc(C)c1C(=O)Cn1c(=O)[nH]cc(C#N)c1=O	ZINC000567613231	354791745	/nfs/dbraw/zinc/79/17/45/354791745.db2.gz	UCGXFWKDCFWBAZ-UHFFFAOYSA-N	0	2	274.236	-0.104	20	30		CBEDLN
C[C@@H]1CN(C(=O)Cn2c(=O)[nH]cc(C#N)c2=O)C[C@@H](C)O1	ZINC000566737745	354773325	/nfs/dbraw/zinc/77/33/25/354773325.db2.gz	MVQRTPVXHJVXJM-RKDXNWHRSA-N	0	2	292.295	-0.956	20	30		CBEDLN
C=C(C)CS(=O)(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-]	ZINC000568096349	354810417	/nfs/dbraw/zinc/81/04/17/354810417.db2.gz	YLCDIVYCDHNDGV-VIFPVBQESA-N	0	2	273.314	-0.099	20	30		CBEDLN
C=C(C)CS(=O)(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-]	ZINC000568096349	354810419	/nfs/dbraw/zinc/81/04/19/354810419.db2.gz	YLCDIVYCDHNDGV-VIFPVBQESA-N	0	2	273.314	-0.099	20	30		CBEDLN
CCn1nnc(C)c1Cn1c(=O)[nH]cc(C#N)c1=O	ZINC000573206191	354907225	/nfs/dbraw/zinc/90/72/25/354907225.db2.gz	ZFXBCIKNGMDUBH-UHFFFAOYSA-N	0	2	260.257	-0.624	20	30		CBEDLN
C=CCN1CC[C@@H](n2c(=O)[nH]cc(C#N)c2=O)C1=O	ZINC000574039786	354927197	/nfs/dbraw/zinc/92/71/97/354927197.db2.gz	SGVKFEITWICAMN-SECBINFHSA-N	0	2	260.253	-0.632	20	30		CBEDLN
N#Cc1c[nH]c(=O)n(CCOC[C@H]2CCCO2)c1=O	ZINC000578358066	354945148	/nfs/dbraw/zinc/94/51/48/354945148.db2.gz	QOBXWVMKCMQVRT-SNVBAGLBSA-N	0	2	265.269	-0.396	20	30		CBEDLN
CC[C@@H](C)NC(=O)Cn1c(=O)[nH]cc(C#N)c1=O	ZINC000579711875	354977888	/nfs/dbraw/zinc/97/78/88/354977888.db2.gz	KEOHFBZRVLFJLB-SSDOTTSWSA-N	0	2	250.258	-0.677	20	30		CBEDLN
C=C(C)COCCNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+]	ZINC000583921329	355024209	/nfs/dbraw/zinc/02/42/09/355024209.db2.gz	OECIPWJVABGLBO-LBPRGKRZSA-N	0	2	270.377	-0.137	20	30		CBEDLN
N#Cc1c[nH]c(=O)n(Cc2cc3n(n2)CCC3)c1=O	ZINC000593423618	355204733	/nfs/dbraw/zinc/20/47/33/355204733.db2.gz	OETYPPLCIOAVOB-UHFFFAOYSA-N	0	2	257.253	-0.401	20	30		CBEDLN
CC(C)(C)n1cc(Cn2c(=O)[nH]cc(C#N)c2=O)nn1	ZINC000594915358	355268682	/nfs/dbraw/zinc/26/86/82/355268682.db2.gz	ZDVZRFRJMRQFLJ-UHFFFAOYSA-N	0	2	274.284	-0.197	20	30		CBEDLN
C=C(C)CNC(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1	ZINC000154378859	220213774	/nfs/dbraw/zinc/21/37/74/220213774.db2.gz	PLTJHXNOXNDRSP-UHFFFAOYSA-N	0	2	260.253	-0.083	20	30		CBEDLN
CN(CC(F)(F)F)C(=O)Cn1c(=O)[nH]cc(C#N)c1=O	ZINC000574690440	335039974	/nfs/dbraw/zinc/03/99/74/335039974.db2.gz	DCXQYEKEUOZYID-UHFFFAOYSA-N	0	2	290.201	-0.571	20	30		CBEDLN
CC(=O)NC1CN(C(=O)CSc2n[nH]c(=O)[nH]2)C1	ZINC000329338676	220336700	/nfs/dbraw/zinc/33/67/00/220336700.db2.gz	NFAUUBRIAFJBQV-UHFFFAOYSA-N	0	2	271.302	-0.210	20	30		CBEDLN
C=CC[C@@H](CO)NS(=O)(=O)NCC(F)(F)F	ZINC000321112260	329260822	/nfs/dbraw/zinc/26/08/22/329260822.db2.gz	OSASQAZMXRGWEC-LURJTMIESA-N	0	2	262.253	-0.090	20	30		CBEDLN
C#CCNS(=O)(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1	ZINC000490761040	332113318	/nfs/dbraw/zinc/11/33/18/332113318.db2.gz	QZXZCJHQYGJHCV-UHFFFAOYSA-N	0	2	280.265	-0.653	20	30		CBEDLN
C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H]([C@@H](C)O)C2)CC1	ZINC000305850223	333000988	/nfs/dbraw/zinc/00/09/88/333000988.db2.gz	JJWPDYUGTMRKCW-ZIAGYGMSSA-N	0	2	279.384	-0.534	20	30		CBEDLN
CCCCNC(=O)NC(=O)Cn1c(=O)[nH]cc(C#N)c1=O	ZINC000566218669	334636705	/nfs/dbraw/zinc/63/67/05/334636705.db2.gz	AMHLNYQHRHTPEP-UHFFFAOYSA-N	0	2	293.283	-0.966	20	30		CBEDLN
C[C@@H](C#N)CN(C)C(=O)Cn1[nH]cc2c(=O)ncnc1-2	ZINC000730533883	582150623	/nfs/dbraw/zinc/15/06/23/582150623.db2.gz	IXKZOJXGVBBGSG-QMMMGPOBSA-N	0	2	274.284	-0.311	20	30		CBEDLN
CC(C)[C@H](C#N)NC(=O)Cn1[nH]cc2c(=O)ncnc1-2	ZINC000732098522	582156470	/nfs/dbraw/zinc/15/64/70/582156470.db2.gz	RMZHQLBMXVFPQM-VIFPVBQESA-N	0	2	274.284	-0.264	20	30		CBEDLN
C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCO[C@H](C(=O)[O-])C1	ZINC000736199190	582199620	/nfs/dbraw/zinc/19/96/20/582199620.db2.gz	HGVWBGIXFKELFZ-ZJUUUORDSA-N	0	2	269.301	-0.468	20	30		CBEDLN
C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCO[C@H](C(=O)[O-])C1	ZINC000736199190	582199622	/nfs/dbraw/zinc/19/96/22/582199622.db2.gz	HGVWBGIXFKELFZ-ZJUUUORDSA-N	0	2	269.301	-0.468	20	30		CBEDLN
CCN(CCC#N)C(=O)C[N@@H+]1C[C@H](O)C[C@H]1C(=O)[O-]	ZINC000737093544	582233874	/nfs/dbraw/zinc/23/38/74/582233874.db2.gz	GJVGGSUFWZMYGK-ZJUUUORDSA-N	0	2	269.301	-0.732	20	30		CBEDLN
CCN(CCC#N)C(=O)C[N@H+]1C[C@H](O)C[C@H]1C(=O)[O-]	ZINC000737093544	582233875	/nfs/dbraw/zinc/23/38/75/582233875.db2.gz	GJVGGSUFWZMYGK-ZJUUUORDSA-N	0	2	269.301	-0.732	20	30		CBEDLN
C#CCOCCNC(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1	ZINC000753232541	582296598	/nfs/dbraw/zinc/29/65/98/582296598.db2.gz	RINNXLKQYJCIBW-UHFFFAOYSA-N	0	2	288.263	-0.184	20	30		CBEDLN
O=C1N=C(NN=Cc2cc([N+](=O)[O-])ccc2O)NC1=O	ZINC000765591315	582328121	/nfs/dbraw/zinc/32/81/21/582328121.db2.gz	KOWFDCIPJNQJFF-UHFFFAOYSA-N	0	2	277.196	-0.764	20	30		CBEDLN
O=C1N=C(NN=Cc2cc(O)ccc2[N+](=O)[O-])NC1=O	ZINC000765594381	582328415	/nfs/dbraw/zinc/32/84/15/582328415.db2.gz	RGEZTTRMSSGOOT-UHFFFAOYSA-N	0	2	277.196	-0.764	20	30		CBEDLN
CC(=NNC1=NC(=O)C(=O)N1)c1cc([N+](=O)[O-])ccc1O	ZINC000765596340	582328579	/nfs/dbraw/zinc/32/85/79/582328579.db2.gz	XXIPSXMJMJEHGZ-UHFFFAOYSA-N	0	2	291.223	-0.374	20	30		CBEDLN
CC(=O)N1CC(C(=O)C(C#N)=C([O-])c2[nH+]ccn2C)C1	ZINC000788367544	582385637	/nfs/dbraw/zinc/38/56/37/582385637.db2.gz	NGTQPSWWQOFLAH-SNVBAGLBSA-N	0	2	274.280	-0.210	20	30		CBEDLN
Cn1cc(C=[NH+][N-]c2nc3ccccn3n2)c(=O)n(C)c1=O	ZINC000790196725	582390401	/nfs/dbraw/zinc/39/04/01/582390401.db2.gz	HHXNLPQDOPNGNE-UHFFFAOYSA-N	0	2	299.294	-0.427	20	30		CBEDLN
C#C[C@@H](CCC)NC(=O)Cn1[nH]cc2c(=O)ncnc1-2	ZINC000791739285	582393979	/nfs/dbraw/zinc/39/39/79/582393979.db2.gz	AIZUXUYVXQBJOM-VIFPVBQESA-N	0	2	273.296	-0.011	20	30		CBEDLN
CC(C)CCNC(=S)NN=C1C(=O)NC(=O)NC1=O	ZINC000814215485	582456068	/nfs/dbraw/zinc/45/60/68/582456068.db2.gz	PZZPSBZSKRQZDY-UHFFFAOYSA-N	0	2	285.329	-0.781	20	30		CBEDLN
O=C1NC(=O)C(=NNCc2cc(F)ccc2F)C(=O)N1	ZINC000814218857	582456095	/nfs/dbraw/zinc/45/60/95/582456095.db2.gz	RVCQDGSOYFVMGA-UHFFFAOYSA-N	0	2	282.206	-0.224	20	30		CBEDLN
O=C1NC(=O)C(=NN[C@H](CO)c2ccccc2)C(=O)N1	ZINC000814230330	582456178	/nfs/dbraw/zinc/45/61/78/582456178.db2.gz	NBBTZANNFYOICW-MRVPVSSYSA-N	0	2	276.252	-0.968	20	30		CBEDLN
O=C1NC(=O)C(=NNC(=S)Nc2ccccn2)C(=O)N1	ZINC000814224629	582456183	/nfs/dbraw/zinc/45/61/83/582456183.db2.gz	KRJRPTKYWWBMND-UHFFFAOYSA-N	0	2	292.280	-0.910	20	30		CBEDLN
CC1(C)C[C@H](NN=C2C(=O)NC(=O)NC2=O)CCO1	ZINC000814227229	582456233	/nfs/dbraw/zinc/45/62/33/582456233.db2.gz	DCQIRRFKZURPQT-ZCFIWIBFSA-N	0	2	268.273	-0.744	20	30		CBEDLN
O=C(N[C@@H]1CCN(O)C1=O)[C@@H]1CCCc2[nH]ncc21	ZINC000816695710	582480742	/nfs/dbraw/zinc/48/07/42/582480742.db2.gz	JNBHMVNOFACKQD-GMSGAONNSA-N	0	2	264.285	-0.064	20	30		CBEDLN
C[C@@H](CNC(=O)[C@@](C)(C#N)CC(=O)[O-])[NH+]1CCOCC1	ZINC000820095265	582551597	/nfs/dbraw/zinc/55/15/97/582551597.db2.gz	BQTIKDVJBDOKPU-GXFFZTMASA-N	0	2	283.328	-0.172	20	30		CBEDLN
C[C@H](C[NH+]1CCOCC1)NC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820095592	582551888	/nfs/dbraw/zinc/55/18/88/582551888.db2.gz	JCPKLKTVOJSCTB-MFKMUULPSA-N	0	2	283.328	-0.172	20	30		CBEDLN
CN(CC[NH+]1CCOCC1)C(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820597363	582575998	/nfs/dbraw/zinc/57/59/98/582575998.db2.gz	LCQRPBBFNOIFCG-ZDUSSCGKSA-N	0	2	283.328	-0.218	20	30		CBEDLN
CCn1cc(-c2nn[nH]n2)c(=O)n(CC2(C#N)CC2)c1=O	ZINC000825797192	582747213	/nfs/dbraw/zinc/74/72/13/582747213.db2.gz	XXKMCYRHCFKNMR-UHFFFAOYSA-N	0	2	287.283	-0.486	20	30		CBEDLN
C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCO[C@H](CC(=O)[O-])C1	ZINC000825972597	582752590	/nfs/dbraw/zinc/75/25/90/582752590.db2.gz	YSUJWZJHGDDCGS-GHMZBOCLSA-N	0	2	283.328	-0.078	20	30		CBEDLN
C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCO[C@H](CC(=O)[O-])C1	ZINC000825972597	582752592	/nfs/dbraw/zinc/75/25/92/582752592.db2.gz	YSUJWZJHGDDCGS-GHMZBOCLSA-N	0	2	283.328	-0.078	20	30		CBEDLN
C[N@@H+]1CCN(C(=O)CSCC#N)[C@@H](CNC(=O)[O-])C1	ZINC000828500935	582860328	/nfs/dbraw/zinc/86/03/28/582860328.db2.gz	RIDMKHDNPBPGTC-VIFPVBQESA-N	0	2	286.357	-0.347	20	30		CBEDLN
C[N@H+]1CCN(C(=O)CSCC#N)[C@@H](CNC(=O)[O-])C1	ZINC000828500935	582860331	/nfs/dbraw/zinc/86/03/31/582860331.db2.gz	RIDMKHDNPBPGTC-VIFPVBQESA-N	0	2	286.357	-0.347	20	30		CBEDLN
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)Cn1cc[nH+]c1	ZINC000831087876	582956135	/nfs/dbraw/zinc/95/61/35/582956135.db2.gz	SOXYIGBCAATNNY-VIFPVBQESA-N	0	2	263.257	-0.403	20	30		CBEDLN
N#Cc1ccc([C@@H](C(=O)[O-])[N@H+]2C[C@@H](O)[C@@H](O)C2)cc1	ZINC000833071378	583054237	/nfs/dbraw/zinc/05/42/37/583054237.db2.gz	GLQRNUQRULZHND-TUAOUCFPSA-N	0	2	262.265	-0.279	20	30		CBEDLN
N#Cc1ccc([C@@H](C(=O)[O-])[N@@H+]2C[C@@H](O)[C@@H](O)C2)cc1	ZINC000833071378	583054239	/nfs/dbraw/zinc/05/42/39/583054239.db2.gz	GLQRNUQRULZHND-TUAOUCFPSA-N	0	2	262.265	-0.279	20	30		CBEDLN
C#CCNC(=O)C[N@H+]1CC[C@H](OC)C[C@H]1C(=O)[O-]	ZINC000833365496	583064145	/nfs/dbraw/zinc/06/41/45/583064145.db2.gz	KUUWZDUMCBJWPH-UWVGGRQHSA-N	0	2	254.286	-0.700	20	30		CBEDLN
C#CCNC(=O)C[N@@H+]1CC[C@H](OC)C[C@H]1C(=O)[O-]	ZINC000833365496	583064146	/nfs/dbraw/zinc/06/41/46/583064146.db2.gz	KUUWZDUMCBJWPH-UWVGGRQHSA-N	0	2	254.286	-0.700	20	30		CBEDLN
C#CCn1cc(CNC(=O)C[C@H]2SC(=N)NC2=O)cn1	ZINC000834606609	583132896	/nfs/dbraw/zinc/13/28/96/583132896.db2.gz	OKVDKEUTKGVSSF-SECBINFHSA-N	0	2	291.336	-0.311	20	30		CBEDLN
COCCNC(=O)C(C#N)=C([O-])c1cn2c([nH+]1)CCC2	ZINC000842685458	583189273	/nfs/dbraw/zinc/18/92/73/583189273.db2.gz	VLCCMKXIPYFNJT-SECBINFHSA-N	0	2	276.296	-0.086	20	30		CBEDLN
C#C[C@H]1COCCN1C(=O)NCC(=O)NOCC	ZINC000845533095	583315584	/nfs/dbraw/zinc/31/55/84/583315584.db2.gz	ASGQVSMACDXLOR-VIFPVBQESA-N	0	2	255.274	-0.902	20	30		CBEDLN
C=CCCOCCNC(=O)NCC(=O)NOCC	ZINC000845540956	583319557	/nfs/dbraw/zinc/31/95/57/583319557.db2.gz	LTMLYXQKWOOUJO-UHFFFAOYSA-N	0	2	259.306	-0.054	20	30		CBEDLN
COC(=O)c1cc(S(=O)(=O)O[C@H]2CNOC2)c[nH]1	ZINC000845931647	583343195	/nfs/dbraw/zinc/34/31/95/583343195.db2.gz	UKVVDDAYSZXZBQ-LURJTMIESA-N	0	2	276.270	-0.590	20	30		CBEDLN
N=C1NC(=O)[C@@H](CC(=O)N[C@H]2CCCN(O)C2=O)S1	ZINC000848139336	583433904	/nfs/dbraw/zinc/43/39/04/583433904.db2.gz	UFCQUFZQOPTVSS-NTSWFWBYSA-N	0	2	286.313	-0.961	20	30		CBEDLN
C#CCCN(CCOC)C(=O)NCC(=O)NOCC	ZINC000854215790	583597183	/nfs/dbraw/zinc/59/71/83/583597183.db2.gz	NIDMUTJKGZWBLX-UHFFFAOYSA-N	0	2	271.317	-0.265	20	30		CBEDLN
C=CCCONC(=O)[C@@H]1CCN=C2C1=NNN2C	ZINC000856034782	583653463	/nfs/dbraw/zinc/65/34/63/583653463.db2.gz	LYARDMDLOHRLSG-MRVPVSSYSA-N	0	2	251.290	-0.165	20	30		CBEDLN
C#CC[C@@H](COC)NS(=O)(=O)N=[S@](C)(=O)CC	ZINC000867568577	583958192	/nfs/dbraw/zinc/95/81/92/583958192.db2.gz	MUZGEBDDWXHYOA-XXFAHNHDSA-N	0	2	282.387	-0.023	20	30		CBEDLN
C#CC[C@H](CO)NS(=O)(=O)N=S1(=O)CCCC1	ZINC000882339836	584314267	/nfs/dbraw/zinc/31/42/67/584314267.db2.gz	JJVGQNALWWOAHF-SECBINFHSA-N	0	2	280.371	-0.533	20	30		CBEDLN
CN(CCC#N)S(=O)(=O)N[C@@H](CCO)C(F)(F)F	ZINC000885828209	584428615	/nfs/dbraw/zinc/42/86/15/584428615.db2.gz	AKSWJBDBPLHDIR-ZETCQYMHSA-N	0	2	289.279	-0.020	20	30		CBEDLN
C=C1[C@@H](C(=O)NOCCOC)[C@@H]1C(=O)NOCCOC	ZINC000900954525	584835097	/nfs/dbraw/zinc/83/50/97/584835097.db2.gz	ITPYWBWIYRVJDJ-NXEZZACHSA-N	0	2	288.300	-0.823	20	30		CBEDLN
C=C(Cl)C[C@H]([NH3+])C(=O)[N-]S(=O)(=O)[C@H]1CCOC1	ZINC000901031927	584841086	/nfs/dbraw/zinc/84/10/86/584841086.db2.gz	UXQOVMJAKPBQHN-YUMQZZPRSA-N	0	2	282.749	-0.309	20	30		CBEDLN
C=CCNC(=O)NC(=O)C[N@@H+](CC(=O)[O-])C1CC1	ZINC000037598527	601464230	/nfs/dbraw/zinc/46/42/30/601464230.db2.gz	DPZASAOPDORKBV-UHFFFAOYSA-N	0	2	255.274	-0.453	20	30		CBEDLN
C=CCNC(=O)NC(=O)C[N@H+](CC(=O)[O-])C1CC1	ZINC000037598527	601464231	/nfs/dbraw/zinc/46/42/31/601464231.db2.gz	DPZASAOPDORKBV-UHFFFAOYSA-N	0	2	255.274	-0.453	20	30		CBEDLN
N#CCNC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)[O-]	ZINC000740305902	602263624	/nfs/dbraw/zinc/26/36/24/602263624.db2.gz	WUTRIXDMGXHOED-VIFPVBQESA-N	0	2	254.290	-0.252	20	30		CBEDLN
N#CCNC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)[O-]	ZINC000740305902	602263619	/nfs/dbraw/zinc/26/36/19/602263619.db2.gz	WUTRIXDMGXHOED-VIFPVBQESA-N	0	2	254.290	-0.252	20	30		CBEDLN
C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3n[nH]c(C)c3[O-])[C@@H]2C1	ZINC000978071859	613312796	/nfs/dbraw/zinc/31/27/96/613312796.db2.gz	CXGMFBWCTVBJIA-RTCCRHLQSA-N	0	2	274.324	-0.035	20	30		CBEDLN
C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3n[nH]c(C)c3[O-])[C@@H]2C1	ZINC000978071859	613312797	/nfs/dbraw/zinc/31/27/97/613312797.db2.gz	CXGMFBWCTVBJIA-RTCCRHLQSA-N	0	2	274.324	-0.035	20	30		CBEDLN
C=CC[NH+]1CC(N(CC)C(=O)c2cnc([O-])n(C)c2=O)C1	ZINC000951120193	613658738	/nfs/dbraw/zinc/65/87/38/613658738.db2.gz	MYBYBMSGAUGYLH-UHFFFAOYSA-N	0	2	292.339	-0.182	20	30		CBEDLN
C=CC[NH+]1CCN(C(=O)CCc2n[nH]c(=O)[n-]c2=O)CC1	ZINC000949063284	613708184	/nfs/dbraw/zinc/70/81/84/613708184.db2.gz	XYGVBRXYXXULFJ-UHFFFAOYSA-N	0	2	293.327	-0.454	20	30		CBEDLN
C=CC[NH+]1CCN(C(=O)c2cnc([O-])n(C)c2=O)CC1	ZINC000949606854	613718313	/nfs/dbraw/zinc/71/83/13/613718313.db2.gz	OJGUNSMEHXTSJS-UHFFFAOYSA-N	0	2	278.312	-0.570	20	30		CBEDLN
O=C1NC(=O)C(=NNc2ccccc2F)C(=O)N1	ZINC000109790977	656065677	/nfs/dbraw/zinc/06/56/77/656065677.db2.gz	NORIULOOEOBZAJ-UHFFFAOYSA-N	0	2	250.189	-0.040	20	30		CBEDLN
C=CCNC(=O)[C@@H](C)[N@H+](CCC(=O)OC)CC(=O)[O-]	ZINC000715792998	656220143	/nfs/dbraw/zinc/22/01/43/656220143.db2.gz	UHIPYXVWHXUOBQ-SECBINFHSA-N	0	2	272.301	-0.373	20	30		CBEDLN
C=CCNC(=O)[C@@H](C)[N@@H+](CCC(=O)OC)CC(=O)[O-]	ZINC000715792998	656220146	/nfs/dbraw/zinc/22/01/46/656220146.db2.gz	UHIPYXVWHXUOBQ-SECBINFHSA-N	0	2	272.301	-0.373	20	30		CBEDLN
C=C[C@@H](O)C(=O)N1CCN(c2ccc(C(=O)[O-])c[nH+]2)CC1	ZINC000911168259	656967928	/nfs/dbraw/zinc/96/79/28/656967928.db2.gz	NNBIEWCVTALDPG-LLVKDONJSA-N	0	2	291.307	-0.025	20	30		CBEDLN
COC(=O)[C@H](CF)NS(=O)(=O)CC(C)(C)C#N	ZINC000915669679	657747839	/nfs/dbraw/zinc/74/78/39/657747839.db2.gz	SJHXOMQXOPIONF-ZETCQYMHSA-N	0	2	266.294	-0.033	20	30		CBEDLN
COC(=O)c1ccccc1NN=C1C(=O)NC(=O)NC1=O	ZINC000916626633	657782560	/nfs/dbraw/zinc/78/25/60/657782560.db2.gz	USDLPTGRRRIQPH-UHFFFAOYSA-N	0	2	290.235	-0.393	20	30		CBEDLN
N#Cc1c[nH]c(=O)n(C[C@@H]2CCC3(COC3)O2)c1=O	ZINC000917858316	657820035	/nfs/dbraw/zinc/82/00/35/657820035.db2.gz	BZBKHPSCZSLJQW-VIFPVBQESA-N	0	2	263.253	-0.644	20	30		CBEDLN
C[C@@H](C#N)C(=O)N1CCCN(Cc2n[nH]c(=O)[nH]2)CC1	ZINC000980849041	659295108	/nfs/dbraw/zinc/29/51/08/659295108.db2.gz	GNFOZBOYLIQDPR-VIFPVBQESA-N	0	2	278.316	-0.296	20	30		CBEDLN
O=C(C#CC1CC1)N1CCCN(Cc2n[nH]c(=O)[nH]2)CC1	ZINC000981126603	659308209	/nfs/dbraw/zinc/30/82/09/659308209.db2.gz	XSHLWNFYQORYBC-UHFFFAOYSA-N	0	2	289.339	-0.042	20	30		CBEDLN
C#Cc1cncc(C(=O)NC2CN(Cc3n[nH]c(=O)[nH]3)C2)c1	ZINC001030928299	799411134	/nfs/dbraw/zinc/41/11/34/799411134.db2.gz	MRERWEDFMANLDU-UHFFFAOYSA-N	0	2	298.306	-0.499	20	30		CBEDLN
C=CCN1CC(NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1	ZINC001031116459	799442009	/nfs/dbraw/zinc/44/20/09/799442009.db2.gz	OTVRARCXXWJIBV-UHFFFAOYSA-N	0	2	288.311	-0.942	20	30		CBEDLN
C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[nH]1	ZINC001032317359	799609840	/nfs/dbraw/zinc/60/98/40/799609840.db2.gz	SEDLNIQWOCTFLC-CIUDSAMLSA-N	0	2	276.300	-0.545	20	30		CBEDLN
C#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[N@@H+]2CCC(C)(C)C2)C1	ZINC001047529048	801895761	/nfs/dbraw/zinc/89/57/61/801895761.db2.gz	OAHWIPMQWKNJKM-KBPBESRZSA-N	0	2	293.411	-0.145	20	30		CBEDLN
C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CCC[C@H]2C)C1	ZINC001047528000	801895970	/nfs/dbraw/zinc/89/59/70/801895970.db2.gz	LFCPUBGFOCSQRS-RDBSUJKOSA-N	0	2	279.384	-0.393	20	30		CBEDLN
CN(CCC#N)C(=O)Cn1[nH]cc2c(=O)ncnc1-2	ZINC001321619198	803791776	/nfs/dbraw/zinc/79/17/76/803791776.db2.gz	RVNRSZXOFFQBMT-UHFFFAOYSA-N	0	2	260.257	-0.557	20	30		CBEDLN
C=CCCC(=O)NC[C@@]1(O)CC[N@H+](Cc2n[nH]c(=O)[n-]2)C1	ZINC001325071201	804232599	/nfs/dbraw/zinc/23/25/99/804232599.db2.gz	VBSWWWGSCKNQSB-ZDUSSCGKSA-N	0	2	295.343	-0.471	20	30		CBEDLN
C=CCCC(=O)NC[C@@]1(O)CC[N@@H+](Cc2n[nH]c(=O)[n-]2)C1	ZINC001325071201	804232604	/nfs/dbraw/zinc/23/26/04/804232604.db2.gz	VBSWWWGSCKNQSB-ZDUSSCGKSA-N	0	2	295.343	-0.471	20	30		CBEDLN
C#CCN1CCO[C@](C)(CNC(=O)c2cnn[nH]2)C1	ZINC001108043434	811406329	/nfs/dbraw/zinc/40/63/29/811406329.db2.gz	KNOADZKOFRVOLG-GFCCVEGCSA-N	0	2	263.301	-0.741	20	30		CBEDLN
O=C(C#CC1CC1)N[C@@H]1[C@H]2C[N@H+](Cc3n[nH]c(=O)[n-]3)C[C@H]21	ZINC001114253219	811737133	/nfs/dbraw/zinc/73/71/33/811737133.db2.gz	JVZBCWOTHJWEHI-IWIIMEHWSA-N	0	2	287.323	-0.530	20	30		CBEDLN
O=C(C#CC1CC1)N[C@@H]1[C@H]2C[N@@H+](Cc3n[nH]c(=O)[n-]3)C[C@H]21	ZINC001114253219	811737137	/nfs/dbraw/zinc/73/71/37/811737137.db2.gz	JVZBCWOTHJWEHI-IWIIMEHWSA-N	0	2	287.323	-0.530	20	30		CBEDLN
COc1nc(NC(=[NH2+])N2CC[NH+](C)CC2)ncc1C#N	ZINC001157915101	815481261	/nfs/dbraw/zinc/48/12/61/815481261.db2.gz	PGWRAWKKVUFLCQ-UHFFFAOYSA-N	0	2	275.316	-0.049	20	30		CBEDLN
N#C[C@@H]1CN(C(=O)C[C@@H]2SC(=N)NC2=O)CCO1	ZINC001116134139	812225318	/nfs/dbraw/zinc/22/53/18/812225318.db2.gz	YMJRPWGMYGVTPJ-RQJHMYQMSA-N	0	2	268.298	-0.706	20	30		CBEDLN
COC(C)(C)CNc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001120902299	813027131	/nfs/dbraw/zinc/02/71/31/813027131.db2.gz	MRPDSBGJBPNEJU-UHFFFAOYSA-N	0	2	252.274	-0.218	20	30		CBEDLN
C#CCSCCNc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001120898903	813027677	/nfs/dbraw/zinc/02/76/77/813027677.db2.gz	JCXKHHVZLJFXDI-UHFFFAOYSA-N	0	2	264.310	-0.276	20	30		CBEDLN
C#CC[C@H](NC(=O)C[C@H]1SC(=N)NC1=O)C(=O)OC	ZINC001141994818	814679860	/nfs/dbraw/zinc/67/98/60/814679860.db2.gz	AFDSBHNWIUVWKB-NKWVEPMBSA-N	0	2	283.309	-0.776	20	30		CBEDLN
Cn1c(=O)[nH]c(NCCn2cccn2)c(C#N)c1=O	ZINC001162232289	815808711	/nfs/dbraw/zinc/80/87/11/815808711.db2.gz	QMAGGIVZJDODGH-UHFFFAOYSA-N	0	2	260.257	-0.746	20	30		CBEDLN
C[C@H](O)[C@H]1CCCN1c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001163745474	815898733	/nfs/dbraw/zinc/89/87/33/815898733.db2.gz	YHOQNQSKFWCJKP-IONNQARKSA-N	0	2	264.285	-0.705	20	30		CBEDLN
C[C@H](C#N)C(=O)NCCCNC(=O)c1[nH]ncc1F	ZINC001293500246	816520616	/nfs/dbraw/zinc/52/06/16/816520616.db2.gz	XYZMGCGGTGORMR-SSDOTTSWSA-N	0	2	267.264	-0.055	20	30		CBEDLN
C=C[C@@H](O)C(=O)N(C)CCC1=NC(=O)C(C)C(=O)N1	ZINC001304050235	816777197	/nfs/dbraw/zinc/77/71/97/816777197.db2.gz	SKMNCIQPYHEVBM-MRVPVSSYSA-N	0	2	267.285	-0.256	20	30		CBEDLN
CC[C@H]1CN(c2[nH]c(=O)n(C)c(=O)c2C#N)C[C@@H]1O	ZINC001307087956	816795355	/nfs/dbraw/zinc/79/53/55/816795355.db2.gz	ZDZLJZMUEGGLSI-CBAPKCEASA-N	0	2	264.285	-0.848	20	30		CBEDLN
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CC[C@H](O)CCCNc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001306979032	816795699	/nfs/dbraw/zinc/79/56/99/816795699.db2.gz	PFTNRDOKZMTCDQ-QMMMGPOBSA-N	0	2	266.301	-0.092	20	30		CBEDLN
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Cn1cc(-c2cc(Cn3c(=O)[nH]cc(C#N)c3=O)on2)cn1	ZINC001307359273	816801039	/nfs/dbraw/zinc/80/10/39/816801039.db2.gz	CWDZLZGGPIHRKH-UHFFFAOYSA-N	0	2	298.262	-0.155	20	30		CBEDLN
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N#CCNC[C@H](O)CNC(=O)[C@H](F)C(F)(F)F	ZINC001320230500	817299496	/nfs/dbraw/zinc/29/94/96/817299496.db2.gz	JXIRGEZTMWIROP-WDSKDSINSA-N	0	2	257.187	-0.523	20	30		CBEDLN
N#CCCCNC(=O)Cn1[nH]cc2c(=O)ncnc1-2	ZINC001320319578	817321974	/nfs/dbraw/zinc/32/19/74/817321974.db2.gz	HJHQXSUJBURLHA-UHFFFAOYSA-N	0	2	260.257	-0.509	20	30		CBEDLN
CC(C)OC(=O)CC(=O)n1nc(N)c(C#N)c1N	ZINC001184440832	821072716	/nfs/dbraw/zinc/07/27/16/821072716.db2.gz	YMQJZACDRZEZSH-UHFFFAOYSA-N	0	2	251.246	-0.099	20	30		CBEDLN
CC[C@@H](CCO)CNc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001185707637	821139877	/nfs/dbraw/zinc/13/98/77/821139877.db2.gz	FAYHVBMNWIRBSC-QMMMGPOBSA-N	0	2	266.301	-0.234	20	30		CBEDLN
C[C@H](CCO)N(C)c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001186888075	821203423	/nfs/dbraw/zinc/20/34/23/821203423.db2.gz	GRVBVJWGJPTRCQ-SSDOTTSWSA-N	0	2	252.274	-0.848	20	30		CBEDLN
COc1nscc1Cn1c(=O)[nH]cc(C#N)c1=O	ZINC001189573522	823766837	/nfs/dbraw/zinc/76/68/37/823766837.db2.gz	CFCPZMDDBCPYHY-UHFFFAOYSA-N	0	2	264.266	-0.078	20	30		CBEDLN
N#Cc1ccnc(Cn2c(=O)[nH]cc(C#N)c2=O)c1	ZINC001189574335	823767021	/nfs/dbraw/zinc/76/70/21/823767021.db2.gz	KWKASICCEHFTJS-UHFFFAOYSA-N	0	2	253.221	-0.277	20	30		CBEDLN
N#C[C@H](NC(=O)c1c(F)ccc(F)c1O)C(N)=O	ZINC001192719453	823981004	/nfs/dbraw/zinc/98/10/04/823981004.db2.gz	JKPXVSCRPCGIQL-LURJTMIESA-N	0	2	255.180	-0.222	20	30		CBEDLN
N#CCS(=O)(=O)NCCNC(=O)C(F)(F)F	ZINC001192988109	823997075	/nfs/dbraw/zinc/99/70/75/823997075.db2.gz	OPRJLFDURWZNOR-UHFFFAOYSA-N	0	2	259.209	-0.892	20	30		CBEDLN
C[C@H](C#N)S(=O)(=O)Nc1ccc(C(N)=O)nc1	ZINC001193104227	824002745	/nfs/dbraw/zinc/00/27/45/824002745.db2.gz	GOOCUZJIBBUDTG-ZCFIWIBFSA-N	0	2	254.271	-0.166	20	30		CBEDLN
C#CCN1C[C@@H](O)[C@H](NC(=O)C(F)C(F)(F)F)C1	ZINC001193131691	824007051	/nfs/dbraw/zinc/00/70/51/824007051.db2.gz	SZXQWHNMGQENIQ-BWZBUEFSSA-N	0	2	268.210	-0.319	20	30		CBEDLN
CCOC(=O)[C@H](NS(=O)(=O)[C@H](C)C#N)[C@@H](C)O	ZINC001193173092	824013019	/nfs/dbraw/zinc/01/30/19/824013019.db2.gz	JDCRLJDVJYWGLI-BWZBUEFSSA-N	0	2	264.303	-0.870	20	30		CBEDLN
CCOC(=O)[C@H](NS(=O)(=O)[C@@H](C)C#N)[C@@H](C)O	ZINC001193173093	824013210	/nfs/dbraw/zinc/01/32/10/824013210.db2.gz	JDCRLJDVJYWGLI-XLPZGREQSA-N	0	2	264.303	-0.870	20	30		CBEDLN
COC(=O)[C@@]1(NS(=O)(=O)[C@@H](C)C#N)CCOC1	ZINC001193195375	824014611	/nfs/dbraw/zinc/01/46/11/824014611.db2.gz	ZWYLKMHALWPHTJ-IONNQARKSA-N	0	2	262.287	-0.850	20	30		CBEDLN
N#Cc1ccc(C(=O)n2cc(N)c(=O)nc2N)c(O)c1	ZINC001195768175	824132332	/nfs/dbraw/zinc/13/23/32/824132332.db2.gz	HSKSRVYCEMXZCP-UHFFFAOYSA-N	0	2	271.236	-0.084	20	30		CBEDLN
CCOC(=O)CS(=O)(=O)Nc1ccnc(C#N)c1	ZINC001195939038	824137189	/nfs/dbraw/zinc/13/71/89/824137189.db2.gz	LHDORJTZGURHJE-UHFFFAOYSA-N	0	2	269.282	-0.320	20	30		CBEDLN
C#Cc1cnc(NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)c(C#C)n1	ZINC001218657349	824618346	/nfs/dbraw/zinc/61/83/46/824618346.db2.gz	JSCTYGAUQNZQDG-LLVKDONJSA-N	0	2	280.291	-0.329	20	30		CBEDLN
C#CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1	ZINC001219812368	824898389	/nfs/dbraw/zinc/89/83/89/824898389.db2.gz	ZWKKAVTVZXMEIP-OLZOCXBDSA-N	0	2	265.357	-0.735	20	30		CBEDLN
C[C@H](C#N)C(=O)NC1CC[NH+](Cc2n[nH]c(=O)[n-]2)CC1	ZINC001226625738	825283039	/nfs/dbraw/zinc/28/30/39/825283039.db2.gz	OJVMGHGCYIMLEV-MRVPVSSYSA-N	0	2	278.316	-0.249	20	30		CBEDLN
COC(=O)[C@@H](O)C[N@@H+]1CC[C@H]2SC(=O)C=C2C1	ZINC001252415370	825843979	/nfs/dbraw/zinc/84/39/79/825843979.db2.gz	OUFKYPRPDMCSMO-DTWKUNHWSA-N	0	2	257.311	-0.206	20	30		CBEDLN
N#CCCCS(=O)(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-]	ZINC001255241947	825977744	/nfs/dbraw/zinc/97/77/44/825977744.db2.gz	CHTSCIYUVYWEEQ-VIFPVBQESA-N	0	2	286.313	-0.371	20	30		CBEDLN
N#CCCCS(=O)(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-]	ZINC001255241947	825977745	/nfs/dbraw/zinc/97/77/45/825977745.db2.gz	CHTSCIYUVYWEEQ-VIFPVBQESA-N	0	2	286.313	-0.371	20	30		CBEDLN
CCOC(=O)C(C#N)NS(=O)(=O)c1ccccn1	ZINC001259292249	826094963	/nfs/dbraw/zinc/09/49/63/826094963.db2.gz	UJXXWOFRRDMAKG-QMMMGPOBSA-N	0	2	269.282	-0.185	20	30		CBEDLN
CCOC(=O)[C@H](C#N)NS(=O)(=O)c1ccccn1	ZINC001259292249	826094968	/nfs/dbraw/zinc/09/49/68/826094968.db2.gz	UJXXWOFRRDMAKG-QMMMGPOBSA-N	0	2	269.282	-0.185	20	30		CBEDLN
N#C[C@H]1CN(S(=O)(=O)C2CCOCC2)CCC1=O	ZINC001259912401	826105749	/nfs/dbraw/zinc/10/57/49/826105749.db2.gz	RMVZTQLNRIQHGA-VIFPVBQESA-N	0	2	272.326	-0.090	20	30		CBEDLN
CCOC(=O)C(C#N)NS(=O)(=O)c1ccn(C)n1	ZINC001259947092	826111596	/nfs/dbraw/zinc/11/15/96/826111596.db2.gz	WVFYYGRBMZJDML-ZETCQYMHSA-N	0	2	272.286	-0.846	20	30		CBEDLN
CCOC(=O)[C@H](C#N)NS(=O)(=O)c1ccn(C)n1	ZINC001259947092	826111599	/nfs/dbraw/zinc/11/15/99/826111599.db2.gz	WVFYYGRBMZJDML-ZETCQYMHSA-N	0	2	272.286	-0.846	20	30		CBEDLN
CS(=O)(=O)CS(=O)(=O)Nc1cncc(C#N)c1	ZINC001260583391	826469281	/nfs/dbraw/zinc/46/92/81/826469281.db2.gz	BRUFQUGRGYDJKV-UHFFFAOYSA-N	0	2	275.311	-0.303	20	30		CBEDLN
CC(C)C#CC(=O)N(C)C1CN(Cc2n[nH]c(=O)[nH]2)C1	ZINC001269787254	827531455	/nfs/dbraw/zinc/53/14/55/827531455.db2.gz	HCURYZJOYOPFTF-UHFFFAOYSA-N	0	2	277.328	-0.188	20	30		CBEDLN
C=CCOCC(=O)N[C@]1(C)CC[N@H+](Cc2n[nH]c(=O)[n-]2)C1	ZINC001270556193	827577846	/nfs/dbraw/zinc/57/78/46/827577846.db2.gz	BKHLOKWBNZGBKM-CYBMUJFWSA-N	0	2	295.343	-0.207	20	30		CBEDLN
C=CCOCC(=O)N[C@]1(C)CC[N@@H+](Cc2n[nH]c(=O)[n-]2)C1	ZINC001270556193	827577852	/nfs/dbraw/zinc/57/78/52/827577852.db2.gz	BKHLOKWBNZGBKM-CYBMUJFWSA-N	0	2	295.343	-0.207	20	30		CBEDLN
C=CCn1c(=O)[nH]nc1S(=O)(=O)Cc1nc[nH]n1	ZINC001329963061	886305665	/nfs/dbraw/zinc/30/56/65/886305665.db2.gz	CPPRZEWRRLMJED-UHFFFAOYSA-N	0	2	270.274	-0.738	20	30		CBEDLN
C#CC1(O)CCN(C(=O)C[C@H]2SC(=N)NC2=O)CC1	ZINC001332225852	887161712	/nfs/dbraw/zinc/16/17/12/887161712.db2.gz	MLWPINSIYLIJAX-MRVPVSSYSA-N	0	2	281.337	-0.470	20	30		CBEDLN
C#C[C@H]1CCCN(c2[nH]c(=O)n(C)c(=O)c2C#N)C1	ZINC001336663322	888839551	/nfs/dbraw/zinc/83/95/51/888839551.db2.gz	BGKMUAWZPIDVOA-VIFPVBQESA-N	0	2	258.281	-0.205	20	30		CBEDLN
C#CCO[C@@H](C)C(=O)NC[C@H](C)[N@H+](C)Cc1n[nH]c(=O)[n-]1	ZINC001329440108	886071267	/nfs/dbraw/zinc/07/12/67/886071267.db2.gz	GQPHBEBDJAZBJB-UWVGGRQHSA-N	0	2	295.343	-0.515	20	30		CBEDLN
C#CCO[C@@H](C)C(=O)NC[C@H](C)[N@@H+](C)Cc1n[nH]c(=O)[n-]1	ZINC001329440108	886071282	/nfs/dbraw/zinc/07/12/82/886071282.db2.gz	GQPHBEBDJAZBJB-UWVGGRQHSA-N	0	2	295.343	-0.515	20	30		CBEDLN
C#CC[C@H]1NC(=O)N(Cc2nnc(COC)[nH]2)C1=O	ZINC001333144853	887540120	/nfs/dbraw/zinc/54/01/20/887540120.db2.gz	LQDYAOPLYPIWHY-SSDOTTSWSA-N	0	2	263.257	-0.605	20	30		CBEDLN
C=CC[C@H]1NC(=O)N(Cc2nnc(COC)[nH]2)C1=O	ZINC001334372059	887939615	/nfs/dbraw/zinc/93/96/15/887939615.db2.gz	XDOCVEFHCITDIA-SSDOTTSWSA-N	0	2	265.273	-0.052	20	30		CBEDLN
Cn1c(=O)[nH]c(NCCn2cccc2)c(C#N)c1=O	ZINC001336533426	888789305	/nfs/dbraw/zinc/78/93/05/888789305.db2.gz	BPWNHXHNNLOEAA-UHFFFAOYSA-N	0	2	259.269	-0.141	20	30		CBEDLN
C[C@@H]1CN(c2[nH]c(=O)n(C)c(=O)c2C#N)C[C@H](C)O1	ZINC001337098753	888962363	/nfs/dbraw/zinc/96/23/63/888962363.db2.gz	AWNAILNFZNERHB-OCAPTIKFSA-N	0	2	264.285	-0.441	20	30		CBEDLN
C#C[C@@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)[C@@H]1CCCO1	ZINC001337833172	889086263	/nfs/dbraw/zinc/08/62/63/889086263.db2.gz	XXJLPQCRHHVCDD-ZJUUUORDSA-N	0	2	274.280	-0.462	20	30		CBEDLN
CCN(C[C@@H](C)OC)c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001339731398	889313268	/nfs/dbraw/zinc/31/32/68/889313268.db2.gz	YHBBYHKNHUUTGC-MRVPVSSYSA-N	0	2	266.301	-0.194	20	30		CBEDLN
Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)CCn1cnccc1=O	ZINC001343368502	889892969	/nfs/dbraw/zinc/89/29/69/889892969.db2.gz	NHGWDYBWWJMOQQ-JTQLQIEISA-N	0	2	299.290	-0.041	20	30		CBEDLN
Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)[C@@H]1CCN(C)C1=O	ZINC001343348557	889893859	/nfs/dbraw/zinc/89/38/59/889893859.db2.gz	FHXSDHGMJVCAKA-DTWKUNHWSA-N	0	2	274.280	-0.210	20	30		CBEDLN
Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)CCn1cnccc1=O	ZINC001343368503	889894252	/nfs/dbraw/zinc/89/42/52/889894252.db2.gz	NHGWDYBWWJMOQQ-SNVBAGLBSA-N	0	2	299.290	-0.041	20	30		CBEDLN
Cn1c(=O)[nH]c(N[C@@H]2CCCOC2)c(C#N)c1=O	ZINC001348183555	890568530	/nfs/dbraw/zinc/56/85/30/890568530.db2.gz	JYSSZPLPWIFTSI-SSDOTTSWSA-N	0	2	250.258	-0.464	20	30		CBEDLN
Cn1cc(C#N)c(NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)n1	ZINC001361349985	892081294	/nfs/dbraw/zinc/08/12/94/892081294.db2.gz	UKUBZGHOZVDDBB-UHFFFAOYSA-N	0	2	298.266	-0.685	20	30		CBEDLN
CC(C)C(=O)NCCN(C)c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001363143886	893400387	/nfs/dbraw/zinc/40/03/87/893400387.db2.gz	MRTJOBQNNNMAHX-UHFFFAOYSA-N	0	2	293.327	-0.846	20	30		CBEDLN
Cn1c(=O)[nH]c(NCCc2ccncc2)c(C#N)c1=O	ZINC001363147061	893406144	/nfs/dbraw/zinc/40/61/44/893406144.db2.gz	GWEJZQALMZCTEQ-UHFFFAOYSA-N	0	2	271.280	-0.005	20	30		CBEDLN
Cn1c(=O)[nH]c(N2C[C@H](O)CC(F)(F)C2)c(C#N)c1=O	ZINC001363154939	893413053	/nfs/dbraw/zinc/41/30/53/893413053.db2.gz	ITKVAHJZUZLNDQ-ZCFIWIBFSA-N	0	2	286.238	-0.848	20	30		CBEDLN
Cn1c(=O)[nH]c(N2C[C@@H](O)CC(F)(F)C2)c(C#N)c1=O	ZINC001363154911	893414314	/nfs/dbraw/zinc/41/43/14/893414314.db2.gz	ITKVAHJZUZLNDQ-LURJTMIESA-N	0	2	286.238	-0.848	20	30		CBEDLN
CCOC(=O)C1(CNc2[nH]c(=O)n(C)c(=O)c2C#N)CC1	ZINC001363161235	893417004	/nfs/dbraw/zinc/41/70/04/893417004.db2.gz	VLPIBCIPMZVGMR-UHFFFAOYSA-N	0	2	292.295	-0.300	20	30		CBEDLN
CCO[C@@H]1COC[C@H]1Nc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001363161436	893417946	/nfs/dbraw/zinc/41/79/46/893417946.db2.gz	VFYFJGQJYITRQT-RKDXNWHRSA-N	0	2	280.284	-0.839	20	30		CBEDLN
CC[C@H](CNc1[nH]c(=O)n(C)c(=O)c1C#N)C(=O)OC	ZINC001363731655	893945494	/nfs/dbraw/zinc/94/54/94/893945494.db2.gz	RFPHOQMSYUASHB-SSDOTTSWSA-N	0	2	280.284	-0.444	20	30		CBEDLN
Cn1c(=O)[nH]c(N2CCC[C@@H](CC(N)=O)C2)c(C#N)c1=O	ZINC001363736405	893950796	/nfs/dbraw/zinc/95/07/96/893950796.db2.gz	OHIRGFKRFMPLFT-QMMMGPOBSA-N	0	2	291.311	-0.963	20	30		CBEDLN
COCCN(CCC#N)c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001363738238	893951633	/nfs/dbraw/zinc/95/16/33/893951633.db2.gz	TVLJFAHBZXDRSP-UHFFFAOYSA-N	0	2	277.284	-0.688	20	30		CBEDLN
CN(C[C@H]1CCC[C@@H]1O)c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001364168177	894226650	/nfs/dbraw/zinc/22/66/50/894226650.db2.gz	FORQXCRJSXWXGX-SCZZXKLOSA-N	0	2	278.312	-0.458	20	30		CBEDLN
COC(=O)[C@@]1(F)CCN(c2[nH]c(=O)n(C)c(=O)c2C#N)C1	ZINC001364170950	894228451	/nfs/dbraw/zinc/22/84/51/894228451.db2.gz	KSCYYVDVJVCJME-GFCCVEGCSA-N	0	2	296.258	-0.963	20	30		CBEDLN
CCc1nnc([C@H](C)Nc2[nH]c(=O)n(C)c(=O)c2C#N)[nH]1	ZINC001364186156	894237827	/nfs/dbraw/zinc/23/78/27/894237827.db2.gz	XSMMZUHWWVMMLC-LURJTMIESA-N	0	2	289.299	-0.201	20	30		CBEDLN
C[C@@H](C[S@](C)=O)Nc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001364182033	894237917	/nfs/dbraw/zinc/23/79/17/894237917.db2.gz	KFVUHMZOBIAJQS-QQOXFEPMSA-N	0	2	270.314	-0.876	20	30		CBEDLN
Cn1c(=O)[nH]c(N2CCC(C3(O)CC3)CC2)c(C#N)c1=O	ZINC001364208493	894256086	/nfs/dbraw/zinc/25/60/86/894256086.db2.gz	HVVASGXSXYFOJR-UHFFFAOYSA-N	0	2	290.323	-0.313	20	30		CBEDLN
Cn1c(=O)[n-]c(NCC(C)(C)n2cc[nH+]c2)c(C#N)c1=O	ZINC001364226779	894271432	/nfs/dbraw/zinc/27/14/32/894271432.db2.gz	HLOLTWXAEQLJOA-UHFFFAOYSA-N	0	2	288.311	-0.011	20	30		CBEDLN
N#Cc1c[nH]c(=O)n(Cc2cccc(C(N)=O)c2)c1=O	ZINC001364282416	894304698	/nfs/dbraw/zinc/30/46/98/894304698.db2.gz	VQRSCZJUGMFGIM-UHFFFAOYSA-N	0	2	270.248	-0.445	20	30		CBEDLN
Cn1c(=O)[nH]c(N[C@H]2CCc3n[nH]cc3C2)c(C#N)c1=O	ZINC001364557470	894493879	/nfs/dbraw/zinc/49/38/79/894493879.db2.gz	GXHPGSOLGVYADC-QMMMGPOBSA-N	0	2	286.295	-0.362	20	30		CBEDLN
Cn1c(=O)[nH]c(N2CC[C@@H](O)C(C)(C)C2)c(C#N)c1=O	ZINC001364557117	894494209	/nfs/dbraw/zinc/49/42/09/894494209.db2.gz	JGRCTBLFSKMHPF-SECBINFHSA-N	0	2	278.312	-0.458	20	30		CBEDLN
Cn1c(=O)[nH]c(NCc2cccnc2N)c(C#N)c1=O	ZINC001364558040	894494484	/nfs/dbraw/zinc/49/44/84/894494484.db2.gz	YFAWSDBWJIJFIO-UHFFFAOYSA-N	0	2	272.268	-0.465	20	30		CBEDLN
Cn1c(=O)[nH]c(N2CC(C)(C)CC[C@H]2CO)c(C#N)c1=O	ZINC001364585409	894508885	/nfs/dbraw/zinc/50/88/85/894508885.db2.gz	PPEJJQAITKMDAA-VIFPVBQESA-N	0	2	292.339	-0.067	20	30		CBEDLN
Cn1c(=O)[nH]c(NC[C@@](C)(O)c2ccco2)c(C#N)c1=O	ZINC001365218935	894828338	/nfs/dbraw/zinc/82/83/38/894828338.db2.gz	YLEDMVKMSYITAD-CYBMUJFWSA-N	0	2	290.279	-0.142	20	30		CBEDLN
C[C@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)c1ncn(C)n1	ZINC001365224035	894831248	/nfs/dbraw/zinc/83/12/48/894831248.db2.gz	UYMQYGLYINYXRJ-LURJTMIESA-N	0	2	275.272	-0.753	20	30		CBEDLN
Cn1nccc1CCNc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001365223760	894831270	/nfs/dbraw/zinc/83/12/70/894831270.db2.gz	IHUJFRXMUMYPCM-UHFFFAOYSA-N	0	2	274.284	-0.667	20	30		CBEDLN
CCO[C@@H]1C[C@H](Nc2[nH]c(=O)n(C)c(=O)c2C#N)[C@H]1OC	ZINC001365223886	894831665	/nfs/dbraw/zinc/83/16/65/894831665.db2.gz	JUSRQCZBMLWPDP-IVZWLZJFSA-N	0	2	294.311	-0.450	20	30		CBEDLN
C[C@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)c1csnn1	ZINC001365228853	894833550	/nfs/dbraw/zinc/83/35/50/894833550.db2.gz	ITRDCNPJWKPHDU-YFKPBYRVSA-N	0	2	278.297	-0.030	20	30		CBEDLN
C[C@@H](C#N)C(=O)N(C)C[C@@H](O)CNC(=O)c1[nH]ncc1F	ZINC001451918451	913930041	/nfs/dbraw/zinc/93/00/41/913930041.db2.gz	IHPKPMJDUVLYDO-YUMQZZPRSA-N	0	2	297.290	-0.742	20	30		CBEDLN
C=C(Cl)C[N@H+](C)CCNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001372026848	896712277	/nfs/dbraw/zinc/71/22/77/896712277.db2.gz	WGIAEZRWVNEQED-UHFFFAOYSA-N	0	2	287.707	-0.303	20	30		CBEDLN
C=C(Cl)C[N@@H+](C)CCNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001372026848	896712286	/nfs/dbraw/zinc/71/22/86/896712286.db2.gz	WGIAEZRWVNEQED-UHFFFAOYSA-N	0	2	287.707	-0.303	20	30		CBEDLN
Cn1c(=O)[nH]c(NC[C@@H]2CCC[C@H](O)C2)c(C#N)c1=O	ZINC001458201548	914630174	/nfs/dbraw/zinc/63/01/74/914630174.db2.gz	YFVLLZFWFFCGCC-BDAKNGLRSA-N	0	2	278.312	-0.092	20	30		CBEDLN
Cn1c(=O)[nH]c(NCCOC[C@H]2CCCO2)c(C#N)c1=O	ZINC001458198169	914631613	/nfs/dbraw/zinc/63/16/13/914631613.db2.gz	JQPJCUQTSPVUMS-SECBINFHSA-N	0	2	294.311	-0.447	20	30		CBEDLN
COC1(CNc2[nH]c(=O)n(C)c(=O)c2C#N)CCOCC1	ZINC001458266883	914634738	/nfs/dbraw/zinc/63/47/38/914634738.db2.gz	DPWQHVMZSQJDAV-UHFFFAOYSA-N	0	2	294.311	-0.447	20	30		CBEDLN
Cn1c(=O)[nH]c(NC[C@@H]2CC[C@@H](O)C2)c(C#N)c1=O	ZINC001458363982	914647344	/nfs/dbraw/zinc/64/73/44/914647344.db2.gz	OJVFPWBGINLXJX-HTQZYQBOSA-N	0	2	264.285	-0.482	20	30		CBEDLN
Cn1c(=O)[nH]c(N[C@H](CO)CC2CCC2)c(C#N)c1=O	ZINC001458393454	914649358	/nfs/dbraw/zinc/64/93/58/914649358.db2.gz	QODPHUQTOBCYLJ-VIFPVBQESA-N	0	2	278.312	-0.092	20	30		CBEDLN
N#CC1(CNC(=O)Cn2[nH]cc3c(=O)ncnc2-3)CCC1	ZINC001412252385	904505036	/nfs/dbraw/zinc/50/50/36/904505036.db2.gz	XJXDBUYVIRXYGC-UHFFFAOYSA-N	0	2	286.295	-0.119	20	30		CBEDLN
Cn1c(=O)[nH]c(N2CCC[C@](C)(CO)C2)c(C#N)c1=O	ZINC001412883840	904783621	/nfs/dbraw/zinc/78/36/21/904783621.db2.gz	WLLFJFKZEIUUOF-ZDUSSCGKSA-N	0	2	278.312	-0.456	20	30		CBEDLN
Cn1c(=O)[nH]c(NC[C@@H](CO)[C@@H]2CCOC2)c(C#N)c1=O	ZINC001412885713	904786429	/nfs/dbraw/zinc/78/64/29/904786429.db2.gz	ROJNTKIEIFBVEH-BDAKNGLRSA-N	0	2	294.311	-0.998	20	30		CBEDLN
Cn1c(=O)[nH]c(NC[C@H](O)c2cccnc2)c(C#N)c1=O	ZINC001412907217	904791965	/nfs/dbraw/zinc/79/19/65/904791965.db2.gz	WINWWGJAQPBXNH-JTQLQIEISA-N	0	2	287.279	-0.514	20	30		CBEDLN
C[C@@H]1COCCN1CCNc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001413879353	905252105	/nfs/dbraw/zinc/25/21/05/905252105.db2.gz	LJSOUQHHOMZNBB-SECBINFHSA-N	0	2	293.327	-0.922	20	30		CBEDLN
CO[C@H]1COCC[C@H]1CNc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001413890231	905255234	/nfs/dbraw/zinc/25/52/34/905255234.db2.gz	VCJBEAPLKNOHKS-WPRPVWTQSA-N	0	2	294.311	-0.591	20	30		CBEDLN
CO[C@H]1COCC[C@@H]1CNc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001413890212	905255538	/nfs/dbraw/zinc/25/55/38/905255538.db2.gz	VCJBEAPLKNOHKS-SCZZXKLOSA-N	0	2	294.311	-0.591	20	30		CBEDLN
Cc1c(CNc2[nH]c(=O)n(C)c(=O)c2C#N)cnn1C	ZINC001413887219	905257609	/nfs/dbraw/zinc/25/76/09/905257609.db2.gz	OKXBSZGCCWLYJC-UHFFFAOYSA-N	0	2	274.284	-0.401	20	30		CBEDLN
COC(=O)[C@@H]1CCN(c2[nH]c(=O)n(C)c(=O)c2C#N)[C@H]1C	ZINC001413886605	905257643	/nfs/dbraw/zinc/25/76/43/905257643.db2.gz	PRFWQRSIYMTWBA-JGVFFNPUSA-N	0	2	292.295	-0.667	20	30		CBEDLN
CO[C@@H]1COCC[C@@H]1CNc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001413889897	905258390	/nfs/dbraw/zinc/25/83/90/905258390.db2.gz	VCJBEAPLKNOHKS-PSASIEDQSA-N	0	2	294.311	-0.591	20	30		CBEDLN
Cc1cc(NC(=O)Cn2c(=O)[nH]cc(C#N)c2=O)no1	ZINC001413927456	905274715	/nfs/dbraw/zinc/27/47/15/905274715.db2.gz	DVFAVSOEPUYZMI-UHFFFAOYSA-N	0	2	275.224	-0.657	20	30		CBEDLN
CCC1(CO)CCN(c2[nH]c(=O)n(C)c(=O)c2C#N)CC1	ZINC001421091248	907421371	/nfs/dbraw/zinc/42/13/71/907421371.db2.gz	VLGMXUZOFBYQSS-UHFFFAOYSA-N	0	2	292.339	-0.066	20	30		CBEDLN
CC(C)N1CC[C@@H](Nc2[nH]c(=O)n(C)c(=O)c2C#N)C1=O	ZINC001421083529	907421973	/nfs/dbraw/zinc/42/19/73/907421973.db2.gz	QUWAJLDYIIFHOQ-SECBINFHSA-N	0	2	291.311	-0.634	20	30		CBEDLN
Cn1c(=O)[nH]c(NCC[C@@H](O)C(F)(F)F)c(C#N)c1=O	ZINC001421119859	907434168	/nfs/dbraw/zinc/43/41/68/907434168.db2.gz	CLNHHELZWXEQGE-ZCFIWIBFSA-N	0	2	292.217	-0.330	20	30		CBEDLN
Cn1c(=O)[nH]c(N2CCc3nc[nH]c3C2)c(C#N)c1=O	ZINC001421159149	907447188	/nfs/dbraw/zinc/44/71/88/907447188.db2.gz	TVTPWEBEZMDTHR-UHFFFAOYSA-N	0	2	272.268	-0.769	20	30		CBEDLN
Cn1c(=O)[nH]c(N2CC(C)(C)[C@H]3COC[C@H]32)c(C#N)c1=O	ZINC001421159137	907447696	/nfs/dbraw/zinc/44/76/96/907447696.db2.gz	SVTXLEHHEFUBOP-VHSXEESVSA-N	0	2	290.323	-0.194	20	30		CBEDLN
Cn1c(=O)[nH]c(N2CC[C@H](CCCO)C2)c(C#N)c1=O	ZINC001421153088	907447997	/nfs/dbraw/zinc/44/79/97/907447997.db2.gz	HUDWYRDVGRWJSZ-VIFPVBQESA-N	0	2	278.312	-0.456	20	30		CBEDLN
N#Cc1c[n-]n2c1nc(C[N@@H+]1CCNC(=O)CC1)cc2=O	ZINC001421496208	907567846	/nfs/dbraw/zinc/56/78/46/907567846.db2.gz	SAGLHAYUYMHNDZ-UHFFFAOYSA-N	0	2	286.295	-0.372	20	30		CBEDLN
N#Cc1c[n-]n2c1nc(C[N@H+]1CCNC(=O)CC1)cc2=O	ZINC001421496208	907567856	/nfs/dbraw/zinc/56/78/56/907567856.db2.gz	SAGLHAYUYMHNDZ-UHFFFAOYSA-N	0	2	286.295	-0.372	20	30		CBEDLN
Cn1c(=O)[nH]c(Nc2cnn(CC#N)c2)c(C#N)c1=O	ZINC001434435391	910181424	/nfs/dbraw/zinc/18/14/24/910181424.db2.gz	CBSYOJYSTJGRMO-UHFFFAOYSA-N	0	2	271.240	-0.591	20	30		CBEDLN
CN(CC1(O)CCCC1)c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001434443005	910185852	/nfs/dbraw/zinc/18/58/52/910185852.db2.gz	UTVIRJGHMZIHCB-UHFFFAOYSA-N	0	2	278.312	-0.313	20	30		CBEDLN
COc1nn(C)cc1CNc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001434451063	910195579	/nfs/dbraw/zinc/19/55/79/910195579.db2.gz	QQJXKBVJJSCHIF-UHFFFAOYSA-N	0	2	290.283	-0.701	20	30		CBEDLN
COCc1nnc(CNS(=O)(=O)CCCC#N)[nH]1	ZINC001464028941	914949272	/nfs/dbraw/zinc/94/92/72/914949272.db2.gz	MORVYEWNBGFOQZ-UHFFFAOYSA-N	0	2	273.318	-0.326	20	30		CBEDLN
CCOC(=O)CCNc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001472673421	915755582	/nfs/dbraw/zinc/75/55/82/915755582.db2.gz	OUCYZEAKEPOHOH-UHFFFAOYSA-N	0	2	266.257	-0.690	20	30		CBEDLN
CC(C)C[C@H](CO)N(C)c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001472762099	915763174	/nfs/dbraw/zinc/76/31/74/915763174.db2.gz	CGTRQVNCLUHKPH-SECBINFHSA-N	0	2	280.328	-0.212	20	30		CBEDLN
Cn1c(=O)[nH]c(NCCC2(O)CCOCC2)c(C#N)c1=O	ZINC001472779114	915765877	/nfs/dbraw/zinc/76/58/77/915765877.db2.gz	VPWQHSWMDQBFNO-UHFFFAOYSA-N	0	2	294.311	-0.711	20	30		CBEDLN
C[C@@H]1CN(c2[nH]c(=O)n(C)c(=O)c2C#N)C[C@@H](C)C1=O	ZINC001472825966	915767082	/nfs/dbraw/zinc/76/70/82/915767082.db2.gz	CTWCSXUCYLBFOO-HTQZYQBOSA-N	0	2	276.296	-0.393	20	30		CBEDLN
C[C@@H]1C[C@H](Nc2[nH]c(=O)n(C)c(=O)c2C#N)c2ncnn21	ZINC001472830629	915767137	/nfs/dbraw/zinc/76/71/37/915767137.db2.gz	GVLGXQMEXOMJRU-SVRRBLITSA-N	0	2	287.283	-0.345	20	30		CBEDLN
CCON(CC)C(=O)CNc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001472831258	915768078	/nfs/dbraw/zinc/76/80/78/915768078.db2.gz	KTCUFJCHRIMPAO-UHFFFAOYSA-N	0	2	295.299	-0.843	20	30		CBEDLN
N#CCN1CC[C@](O)(CNC(=O)C(F)C(F)(F)F)C1	ZINC001484220054	917775861	/nfs/dbraw/zinc/77/58/61/917775861.db2.gz	MSSBXOJKXMNHRA-CBAPKCEASA-N	0	2	283.225	-0.037	20	30		CBEDLN
N#CCN1CC[C@](O)(CNC(=O)[C@H](F)C(F)(F)F)C1	ZINC001484220054	917775871	/nfs/dbraw/zinc/77/58/71/917775871.db2.gz	MSSBXOJKXMNHRA-CBAPKCEASA-N	0	2	283.225	-0.037	20	30		CBEDLN
COCC#CC[N@H+](C)CCNC(=O)CCc1nc[nH]n1	ZINC001492222989	919359397	/nfs/dbraw/zinc/35/93/97/919359397.db2.gz	JCQQFBIFCLUICK-UHFFFAOYSA-N	0	2	279.344	-0.565	20	30		CBEDLN
CO[C@H](CNc1[nH]c(=O)n(C)c(=O)c1C#N)C1CC1	ZINC001515785779	922241166	/nfs/dbraw/zinc/24/11/66/922241166.db2.gz	OEUNBDUDJMKEQA-SECBINFHSA-N	0	2	264.285	-0.218	20	30		CBEDLN
Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)[C@@H]1CCNC(=O)C1	ZINC001524704534	922647716	/nfs/dbraw/zinc/64/77/16/922647716.db2.gz	LWKLREUOIKHECB-RKDXNWHRSA-N	0	2	274.280	-0.162	20	30		CBEDLN
C[C@H](C#N)N(C)C(=O)Cn1[nH]cc2c(=O)ncnc1-2	ZINC001544669435	923308627	/nfs/dbraw/zinc/30/86/27/923308627.db2.gz	KOXWBIUOTTZHIL-SSDOTTSWSA-N	0	2	260.257	-0.558	20	30		CBEDLN
C=CCC[C@H](CO)NC(=O)C[C@H]1SC(=N)NC1=O	ZINC001556585682	924069445	/nfs/dbraw/zinc/06/94/45/924069445.db2.gz	BPVSPVQVZWINEW-HTQZYQBOSA-N	0	2	271.342	-0.014	20	30		CBEDLN
CCN(C[C@H](C)C#N)c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001559124753	924210938	/nfs/dbraw/zinc/21/09/38/924210938.db2.gz	XIWKLZVFZCXDPC-MRVPVSSYSA-N	0	2	261.285	-0.069	20	30		CBEDLN
C=CCCS(=O)(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)[O-]	ZINC000274872899	352547521	/nfs/dbraw/zinc/54/75/21/352547521.db2.gz	AXGJDLSYXCDBST-SECBINFHSA-N	0	2	273.314	-0.099	20	30		CBEDLN
C=CCCS(=O)(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)[O-]	ZINC000274872899	352547523	/nfs/dbraw/zinc/54/75/23/352547523.db2.gz	AXGJDLSYXCDBST-SECBINFHSA-N	0	2	273.314	-0.099	20	30		CBEDLN
COC(=O)[C@]1(NS(=O)(=O)CC2(C#N)CC2)CCOC1	ZINC000361822876	353664091	/nfs/dbraw/zinc/66/40/91/353664091.db2.gz	PRFWIEQJGKBZDK-NSHDSACASA-N	0	2	288.325	-0.458	20	30		CBEDLN
CN(CCC#N)C(=O)CC[N@H+]1CCc2n[nH]nc2C1	ZINC000429293192	354248109	/nfs/dbraw/zinc/24/81/09/354248109.db2.gz	JOLCOUHXOMIJKJ-UHFFFAOYSA-N	0	2	262.317	-0.075	20	30		CBEDLN
CCN(C[C@@H](C)C#N)C(=O)Cn1c(=O)[nH]cc(C#N)c1=O	ZINC000565716398	354745000	/nfs/dbraw/zinc/74/50/00/354745000.db2.gz	QUDUUNNWACWTCB-VIFPVBQESA-N	0	2	289.295	-0.584	20	30		CBEDLN
Cc1cc(NC(=O)Cn2c(=O)[nH]cc(C#N)c2=O)n(C)n1	ZINC000578769132	354954762	/nfs/dbraw/zinc/95/47/62/354954762.db2.gz	LAGVAJMYJHTVJR-UHFFFAOYSA-N	0	2	288.267	-0.911	20	30		CBEDLN
Cc1[nH]nc(C(=O)N2CCN(C(=O)CC#N)CC2)c1O	ZINC000594316253	355241077	/nfs/dbraw/zinc/24/10/77/355241077.db2.gz	SEGDTHYAIGRMDR-UHFFFAOYSA-N	0	2	277.284	-0.378	20	30		CBEDLN
Cc1cc(Cn2c(=O)[nH]cc(C#N)c2=O)nc(C)n1	ZINC000594915331	355269077	/nfs/dbraw/zinc/26/90/77/355269077.db2.gz	YHORWUHLEURGKQ-UHFFFAOYSA-N	0	2	257.253	-0.137	20	30		CBEDLN
C[C@@H]1CN(Cc2n[nH]c(=O)[nH]2)C[C@H](C)N1CC#N	ZINC000602856029	355677055	/nfs/dbraw/zinc/67/70/55/355677055.db2.gz	YBBARFCTCFXQIF-DTORHVGOSA-N	0	2	250.306	-0.072	20	30		CBEDLN
COC(=O)[C@@H]1CC[C@H](C(=O)Nc2nc(C#N)c(C#N)[nH]2)O1	ZINC000352609270	373105142	/nfs/dbraw/zinc/10/51/42/373105142.db2.gz	GDORCFONKVZZKU-BDAKNGLRSA-N	0	2	289.251	-0.188	20	30		CBEDLN
C=CCN1C(=O)C(=O)N(CC(=O)Nc2nc(C)n[nH]2)C1=O	ZINC000264242425	190099313	/nfs/dbraw/zinc/09/93/13/190099313.db2.gz	YQCSWBGINVZMFS-UHFFFAOYSA-N	0	2	292.255	-0.972	20	30		CBEDLN
C#CCNc1nc(N[C@H](C)CO)nc(N[C@@H](C)CO)[nH+]1	ZINC000286298498	220299293	/nfs/dbraw/zinc/29/92/93/220299293.db2.gz	YEDLYEYXHRYZJR-DTORHVGOSA-N	0	2	280.332	-0.498	20	30		CBEDLN
C#CCNC(=O)c1ccc(NCc2n[nH]c(=O)[nH]2)nc1	ZINC000301780503	220325296	/nfs/dbraw/zinc/32/52/96/220325296.db2.gz	NHXXXKCMCFXYOK-UHFFFAOYSA-N	0	2	272.268	-0.532	20	30		CBEDLN
CC1(C#N)CN(C(=O)CSc2n[nH]c(=O)[nH]2)C1	ZINC000329265418	220335477	/nfs/dbraw/zinc/33/54/77/220335477.db2.gz	CHTDDAOWIKZGAI-UHFFFAOYSA-N	0	2	253.287	-0.026	20	30		CBEDLN
N#Cc1ccccc1N1CCN(C(=O)c2nc(=O)[nH][nH]2)CC1	ZINC000101671801	419477574	/nfs/dbraw/zinc/47/75/74/419477574.db2.gz	BLMBIKUBDHTUAU-UHFFFAOYSA-N	0	2	298.306	-0.068	20	30		CBEDLN
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C=CCNC(=O)[C@H](C)S(=O)(=O)c1n[nH]c(COC)n1	ZINC001321871828	803830979	/nfs/dbraw/zinc/83/09/79/803830979.db2.gz	ZDJPCZNYPQBSBH-ZETCQYMHSA-N	0	2	288.329	-0.585	20	30		CBEDLN
C=CCNC(=O)[C@@H](C)S(=O)(=O)c1n[nH]c(COC)n1	ZINC001321871827	803831150	/nfs/dbraw/zinc/83/11/50/803831150.db2.gz	ZDJPCZNYPQBSBH-SSDOTTSWSA-N	0	2	288.329	-0.585	20	30		CBEDLN
Cc1nc2cc[nH]n2c(=O)c1CC(=O)N[C@@H](C)C#N	ZINC001321953731	803844112	/nfs/dbraw/zinc/84/41/12/803844112.db2.gz	IWEZJGYZLCQPGG-ZETCQYMHSA-N	0	2	259.269	-0.098	20	30		CBEDLN
C[C@@H](C#N)C(=O)N(C)C1CN(Cc2n[nH]c(=O)[nH]2)C1	ZINC001323898091	804080239	/nfs/dbraw/zinc/08/02/39/804080239.db2.gz	HJOYJGHAVHCRFM-ZETCQYMHSA-N	0	2	264.289	-0.687	20	30		CBEDLN
C#CCNC(=O)c1c(O)[nH]c(=O)n(CC(C)C)c1=O	ZINC001324345353	804141389	/nfs/dbraw/zinc/14/13/89/804141389.db2.gz	CBDOPWPTDJRGJF-MRVPVSSYSA-N	0	2	265.269	-0.914	20	30		CBEDLN
C#CCNC(=O)c1c(O)n(CC(C)C)c(=O)[nH]c1=O	ZINC001324345353	804141391	/nfs/dbraw/zinc/14/13/91/804141391.db2.gz	CBDOPWPTDJRGJF-MRVPVSSYSA-N	0	2	265.269	-0.914	20	30		CBEDLN
C=CCCC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[nH]2)C[C@@H]1O	ZINC001099727402	810920804	/nfs/dbraw/zinc/92/08/04/810920804.db2.gz	OSCIOAILXGVPNI-UWVGGRQHSA-N	0	2	295.343	-0.472	20	30		CBEDLN
C=CCO[C@@H](C)C(=O)N1CCN(Cc2n[nH]c(=O)[nH]2)CC1	ZINC001113712598	811657372	/nfs/dbraw/zinc/65/73/72/811657372.db2.gz	CIHVGUADYNIUQM-JTQLQIEISA-N	0	2	295.343	-0.254	20	30		CBEDLN
CNC(=O)C[C@@H]1S/C(=N/C[C@H]2CCCO2)NC1=O	ZINC001120077761	812930935	/nfs/dbraw/zinc/93/09/35/812930935.db2.gz	CBKJWJRTQAFFEK-SFYZADRCSA-N	0	2	271.342	-0.111	20	30		CBEDLN
CN(c1[nH]c(=O)n(C)c(=O)c1C#N)[C@@H]1CCSC1	ZINC001120827367	813022648	/nfs/dbraw/zinc/02/26/48/813022648.db2.gz	HGUAUQCBVIZHDQ-SSDOTTSWSA-N	0	2	266.326	-0.113	20	30		CBEDLN
N#Cc1ncc(Cl)nc1Nc1c(O)[nH]c(=O)[nH]c1=S	ZINC001160847887	815679098	/nfs/dbraw/zinc/67/90/98/815679098.db2.gz	QTIMVWHDRIMIOE-RXMQYKEDSA-N	0	2	296.699	-0.051	20	30		CBEDLN
C[C@@H]1CCN(c2[nH]c(=O)n(C)c(=O)c2C#N)C[C@H]1O	ZINC001162950443	815850328	/nfs/dbraw/zinc/85/03/28/815850328.db2.gz	XEXMJDHVYNVYHG-VXNVDRBHSA-N	0	2	264.285	-0.848	20	30		CBEDLN
C[C@H]1CCN(c2[nH]c(=O)n(C)c(=O)c2C#N)C[C@@H]1O	ZINC001162950440	815850495	/nfs/dbraw/zinc/85/04/95/815850495.db2.gz	XEXMJDHVYNVYHG-CBAPKCEASA-N	0	2	264.285	-0.848	20	30		CBEDLN
C=C[C@H](O)C(=O)N(C)CCC1=NC(=O)C(C)C(=O)N1	ZINC001304050245	816777304	/nfs/dbraw/zinc/77/73/04/816777304.db2.gz	SKMNCIQPYHEVBM-QMMMGPOBSA-N	0	2	267.285	-0.256	20	30		CBEDLN
CC[C@@H](CO)N(C)c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001307128045	816796688	/nfs/dbraw/zinc/79/66/88/816796688.db2.gz	DBCSEWISRNZTGQ-ZETCQYMHSA-N	0	2	252.274	-0.848	20	30		CBEDLN
COCOCCCNc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001307155293	816797053	/nfs/dbraw/zinc/79/70/53/816797053.db2.gz	KFCDLEUGFUEGKJ-UHFFFAOYSA-N	0	2	268.273	-0.632	20	30		CBEDLN
N#CCN(Cc1cc(=O)n2[nH]c(N)nc2n1)C1CC1	ZINC001307443329	816801992	/nfs/dbraw/zinc/80/19/92/816801992.db2.gz	VDMARGLTLYFCQD-UHFFFAOYSA-N	0	2	259.273	-0.512	20	30		CBEDLN
N#CCC1(O)CN(C(=O)C[C@H]2SC(=N)NC2=O)C1	ZINC001321207340	817461630	/nfs/dbraw/zinc/46/16/30/817461630.db2.gz	LURGEXXALGTUJH-ZCFIWIBFSA-N	0	2	268.298	-0.970	20	30		CBEDLN
Cn1c(=O)[nH]c(N[C@@H]2C[C@@H]3CC[C@H]2O3)c(C#N)c1=O	ZINC001164401020	819911697	/nfs/dbraw/zinc/91/16/97/819911697.db2.gz	QSOPEYCKUGTPJZ-NBEYISGCSA-N	0	2	262.269	-0.323	20	30		CBEDLN
COC(=O)[C@@H]1CS[C@@H](C(=O)OC)N1C(=O)C(C)C#N	ZINC001179894959	820645177	/nfs/dbraw/zinc/64/51/77/820645177.db2.gz	KOWLOTRYUJMENY-ZKWXMUAHSA-N	0	2	286.309	-0.238	20	30		CBEDLN
COC(=O)[C@@H]1CS[C@@H](C(=O)OC)N1C(=O)[C@@H](C)C#N	ZINC001179894959	820645190	/nfs/dbraw/zinc/64/51/90/820645190.db2.gz	KOWLOTRYUJMENY-ZKWXMUAHSA-N	0	2	286.309	-0.238	20	30		CBEDLN
N#CC(Cc1ccc(O)cc1)C(=O)N[C@@H](C#N)C(N)=O	ZINC001183614059	821011152	/nfs/dbraw/zinc/01/11/52/821011152.db2.gz	XAGVYXXIQBBSPN-ONGXEEELSA-N	0	2	272.264	-0.432	20	30		CBEDLN
C[C@@H](CNC(=O)CSCC#N)[N@H+](C)Cc1n[nH]c(=O)[n-]1	ZINC001282357115	828442406	/nfs/dbraw/zinc/44/24/06/828442406.db2.gz	UNSGOJVIXIPYLR-QMMMGPOBSA-N	0	2	298.372	-0.296	20	30		CBEDLN
C[C@@H](CNC(=O)CSCC#N)[N@@H+](C)Cc1n[nH]c(=O)[n-]1	ZINC001282357115	828442409	/nfs/dbraw/zinc/44/24/09/828442409.db2.gz	UNSGOJVIXIPYLR-QMMMGPOBSA-N	0	2	298.372	-0.296	20	30		CBEDLN
CCOC(=O)C(C#N)NS(=O)(=O)c1ncc[nH]1	ZINC001190749323	823847495	/nfs/dbraw/zinc/84/74/95/823847495.db2.gz	ZASHEXKIZGOESJ-LURJTMIESA-N	0	2	258.259	-0.857	20	30		CBEDLN
CCOc1cc(NS(=O)(=O)CC#N)cc(C(=O)OC)n1	ZINC001192943031	823993017	/nfs/dbraw/zinc/99/30/17/823993017.db2.gz	HHIXRGPZRPTKFM-UHFFFAOYSA-N	0	2	299.308	-0.046	20	30		CBEDLN
N#CCS(=O)(=O)Nc1ccc(C(N)=O)c(O)c1	ZINC001192985793	823995630	/nfs/dbraw/zinc/99/56/30/823995630.db2.gz	NTCGEXYKGJPMHR-UHFFFAOYSA-N	0	2	255.255	-0.244	20	30		CBEDLN
COC(=O)[C@H](NS(=O)(=O)CC#N)c1ccccn1	ZINC001192988719	823997465	/nfs/dbraw/zinc/99/74/65/823997465.db2.gz	WAXFRZLMCAZGJL-SECBINFHSA-N	0	2	269.282	-0.261	20	30		CBEDLN
C[C@@H](C#N)S(=O)(=O)Nc1[nH]c(=O)nc2[nH]c(=O)[nH]c21	ZINC001193173408	824012638	/nfs/dbraw/zinc/01/26/38/824012638.db2.gz	NQLYCOJIKJRYOI-VKHMYHEASA-N	0	2	284.257	-0.582	20	30		CBEDLN
C[C@@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2n[nH]c(=O)[n-]2)C[C@H]1C	ZINC001206659271	824404532	/nfs/dbraw/zinc/40/45/32/824404532.db2.gz	HWJDNIIJILVZMC-DJLDLDEBSA-N	0	2	278.316	-0.394	20	30		CBEDLN
C[C@@H](C#N)C(=O)N[C@@H]1C[N@@H+](Cc2n[nH]c(=O)[n-]2)C[C@H]1C	ZINC001206659271	824404533	/nfs/dbraw/zinc/40/45/33/824404533.db2.gz	HWJDNIIJILVZMC-DJLDLDEBSA-N	0	2	278.316	-0.394	20	30		CBEDLN
C#CC[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+](C)C(C)C)[C@H]2C1	ZINC001219052143	824653728	/nfs/dbraw/zinc/65/37/28/824653728.db2.gz	HYGLCVNFIDRQKD-UONOGXRCSA-N	0	2	279.384	-0.129	20	30		CBEDLN
C#C[C@](C)(N)C(=O)NCCNC(=O)c1ccncc1	ZINC001219938976	824918540	/nfs/dbraw/zinc/91/85/40/824918540.db2.gz	MHDGTRLPKPKABE-ZDUSSCGKSA-N	0	2	260.297	-0.722	20	30		CBEDLN
C#CCN1C[C@@H](NC(=O)C(=O)Nc2ccccc2)[C@@H](O)C1	ZINC001219944078	824919015	/nfs/dbraw/zinc/91/90/15/824919015.db2.gz	NHDIJJDEVIGDLM-OLZOCXBDSA-N	0	2	287.319	-0.580	20	30		CBEDLN
C[C@@H](C#N)C(=O)NC1CC[NH+](Cc2n[nH]c(=O)[n-]2)CC1	ZINC001226625743	825283312	/nfs/dbraw/zinc/28/33/12/825283312.db2.gz	OJVMGHGCYIMLEV-QMMMGPOBSA-N	0	2	278.316	-0.249	20	30		CBEDLN
C=CCNC(=O)CS(=O)(=O)c1n[nH]c(COC)n1	ZINC001256174731	826002839	/nfs/dbraw/zinc/00/28/39/826002839.db2.gz	BRNZPUOBVFFTFG-UHFFFAOYSA-N	0	2	274.302	-0.973	20	30		CBEDLN
C#Cc1ccc(NS(=O)(=O)CC(=O)OC)cn1	ZINC001259020667	826079664	/nfs/dbraw/zinc/07/96/64/826079664.db2.gz	ZPVVNDQAJOBJFN-UHFFFAOYSA-N	0	2	254.267	-0.022	20	30		CBEDLN
CCOC(=O)[C@H](C#N)NS(=O)(=O)c1cccnc1	ZINC001259610850	826098986	/nfs/dbraw/zinc/09/89/86/826098986.db2.gz	CHKHPDPUQBIDSE-VIFPVBQESA-N	0	2	269.282	-0.185	20	30		CBEDLN
N#C[C@H]1CN(S(=O)(=O)c2cn[nH]c2)CCC1=O	ZINC001260958142	826480916	/nfs/dbraw/zinc/48/09/16/826480916.db2.gz	HSHVCHCJNRVGRL-ZETCQYMHSA-N	0	2	254.271	-0.487	20	30		CBEDLN
O=C(C[C@H]1S/C(=N/CC2CC2)NC1=O)NCCCO	ZINC001262078384	826634415	/nfs/dbraw/zinc/63/44/15/826634415.db2.gz	HGQRNWZAJIEKIW-SECBINFHSA-N	0	2	285.369	-0.127	20	30		CBEDLN
Cn1c(=O)[nH]c(N2C[C@@H](F)[C@@H](F)C2)c(C#N)c1=O	ZINC001262697837	826723747	/nfs/dbraw/zinc/72/37/47/826723747.db2.gz	AJHVSUPAULMEQO-KNVOCYPGSA-N	0	2	256.212	-0.559	20	30		CBEDLN
C#CCCCC(=O)NCC1CN(Cc2n[nH]c(=O)[nH]2)C1	ZINC001267679314	827196464	/nfs/dbraw/zinc/19/64/64/827196464.db2.gz	NHVYIOMKOAXMGX-UHFFFAOYSA-N	0	2	277.328	-0.138	20	30		CBEDLN
N#CCSCC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[nH]2)C1	ZINC001269000928	827448624	/nfs/dbraw/zinc/44/86/24/827448624.db2.gz	WRVDJJAQJQDVDU-QMMMGPOBSA-N	0	2	296.356	-0.542	20	30		CBEDLN
C#CCO[C@H](C)C(=O)N(C)CC[N@H+](C)Cc1n[nH]c(=O)[n-]1	ZINC001272013734	827750486	/nfs/dbraw/zinc/75/04/86/827750486.db2.gz	RONVLHHSNJHLQH-SNVBAGLBSA-N	0	2	295.343	-0.561	20	30		CBEDLN
C#CCO[C@H](C)C(=O)N(C)CC[N@@H+](C)Cc1n[nH]c(=O)[n-]1	ZINC001272013734	827750490	/nfs/dbraw/zinc/75/04/90/827750490.db2.gz	RONVLHHSNJHLQH-SNVBAGLBSA-N	0	2	295.343	-0.561	20	30		CBEDLN
C=C[C@](C)(O)CC(=O)NC[C@H](C)[N@H+](C)Cc1n[nH]c(=O)[n-]1	ZINC001275818843	828117256	/nfs/dbraw/zinc/11/72/56/828117256.db2.gz	KZRYDHOVVMVWCL-ZANVPECISA-N	0	2	297.359	-0.226	20	30		CBEDLN
C=C[C@](C)(O)CC(=O)NC[C@H](C)[N@@H+](C)Cc1n[nH]c(=O)[n-]1	ZINC001275818843	828117259	/nfs/dbraw/zinc/11/72/59/828117259.db2.gz	KZRYDHOVVMVWCL-ZANVPECISA-N	0	2	297.359	-0.226	20	30		CBEDLN
C=CC[NH+]1CC(N(C)C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1	ZINC001277625681	828198723	/nfs/dbraw/zinc/19/87/23/828198723.db2.gz	JQNWNMMVAIULLX-UHFFFAOYSA-N	0	2	293.327	-0.456	20	30		CBEDLN
CCOC(=O)[C@H](NS(=O)(=O)CC#N)c1cnccn1	ZINC001193002809	884731528	/nfs/dbraw/zinc/73/15/28/884731528.db2.gz	OCKMDBOZYUHCAR-SECBINFHSA-N	0	2	284.297	-0.476	20	30		CBEDLN
C#CC[C@@H]1NC(=O)N(Cc2nnc(COC)[nH]2)C1=O	ZINC001333144854	887540331	/nfs/dbraw/zinc/54/03/31/887540331.db2.gz	LQDYAOPLYPIWHY-ZETCQYMHSA-N	0	2	263.257	-0.605	20	30		CBEDLN
C[C@@H]1COCC[C@H]1Nc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001336595630	888810216	/nfs/dbraw/zinc/81/02/16/888810216.db2.gz	JXKXCOLEMQJHDY-VXNVDRBHSA-N	0	2	264.285	-0.218	20	30		CBEDLN
C#C[C@H]([NH2+]Cc1cc(=O)n2[n-]c(N)nc2n1)[C@@H]1CCCO1	ZINC001328897591	885840105	/nfs/dbraw/zinc/84/01/05/885840105.db2.gz	RIVBVBYQKLCQSH-UWVGGRQHSA-N	0	2	288.311	-0.730	20	30		CBEDLN
N#Cc1c[nH]c(=O)n(Cc2ncnn2CCF)c1=O	ZINC001329409886	886054887	/nfs/dbraw/zinc/05/48/87/886054887.db2.gz	JMKBSFKMYXPAFC-UHFFFAOYSA-N	0	2	264.220	-0.982	20	30		CBEDLN
C#CCO[C@@H](C)C(=O)NC[C@@H](C)[N@H+](C)Cc1n[nH]c(=O)[n-]1	ZINC001329440111	886070179	/nfs/dbraw/zinc/07/01/79/886070179.db2.gz	GQPHBEBDJAZBJB-ZJUUUORDSA-N	0	2	295.343	-0.515	20	30		CBEDLN
C#CCO[C@@H](C)C(=O)NC[C@@H](C)[N@@H+](C)Cc1n[nH]c(=O)[n-]1	ZINC001329440111	886070193	/nfs/dbraw/zinc/07/01/93/886070193.db2.gz	GQPHBEBDJAZBJB-ZJUUUORDSA-N	0	2	295.343	-0.515	20	30		CBEDLN
C[C@@H]1CO[C@@H](C)CN1c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001336458052	888766019	/nfs/dbraw/zinc/76/60/19/888766019.db2.gz	QPPRXRGHDPKBCS-SFYZADRCSA-N	0	2	264.285	-0.441	20	30		CBEDLN
CCOCCN(C)c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001336576776	888801962	/nfs/dbraw/zinc/80/19/62/888801962.db2.gz	AYBMWPMUXTUPMS-UHFFFAOYSA-N	0	2	252.274	-0.582	20	30		CBEDLN
CC[C@@H](CNc1[nH]c(=O)n(C)c(=O)c1C#N)OC	ZINC001336633231	888823348	/nfs/dbraw/zinc/82/33/48/888823348.db2.gz	JDIZWLSXUWHBTA-ZETCQYMHSA-N	0	2	252.274	-0.218	20	30		CBEDLN
CO[C@H]1C[C@@H](N(C)c2[nH]c(=O)n(C)c(=O)c2C#N)C1	ZINC001337158967	888968326	/nfs/dbraw/zinc/96/83/26/888968326.db2.gz	JASDVGVNZGKNQJ-OCAPTIKFSA-N	0	2	264.285	-0.441	20	30		CBEDLN
CO[C@@H]1CC[C@@H]1N(C)c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001337285064	888988000	/nfs/dbraw/zinc/98/80/00/888988000.db2.gz	PFKNGZLBBXXYJN-DTWKUNHWSA-N	0	2	264.285	-0.441	20	30		CBEDLN
CN(CCOCC1CC1)c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001337799720	889079686	/nfs/dbraw/zinc/07/96/86/889079686.db2.gz	UUGAZWJQMUDVFA-UHFFFAOYSA-N	0	2	278.312	-0.192	20	30		CBEDLN
C[C@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)[C@@H]1CCOC1	ZINC001337788450	889080385	/nfs/dbraw/zinc/08/03/85/889080385.db2.gz	QCDIUJKUOYLICJ-JGVFFNPUSA-N	0	2	264.285	-0.218	20	30		CBEDLN
COCC1=CCN(c2[nH]c(=O)n(C)c(=O)c2C#N)CC1	ZINC001337832010	889083105	/nfs/dbraw/zinc/08/31/05/889083105.db2.gz	POZRXMUXCJJLIM-UHFFFAOYSA-N	0	2	276.296	-0.272	20	30		CBEDLN
C[C@@H]1COCCN(c2[nH]c(=O)n(C)c(=O)c2C#N)C1	ZINC001337900646	889096106	/nfs/dbraw/zinc/09/61/06/889096106.db2.gz	FGUHHTJIGXQYRQ-QMMMGPOBSA-N	0	2	264.285	-0.582	20	30		CBEDLN
C[C@H]1OCC[C@@]1(C)Nc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001339660523	889305185	/nfs/dbraw/zinc/30/51/85/889305185.db2.gz	OTNQQYDRDPMIRP-JMCQJSRRSA-N	0	2	264.285	-0.075	20	30		CBEDLN
COC[C@@H](OC)C(=O)C(C#N)=C([O-])c1[nH+]ccn1C	ZINC001342709664	889818771	/nfs/dbraw/zinc/81/87/71/889818771.db2.gz	KFLZZPQJLBGFHH-RKDXNWHRSA-N	0	2	265.269	-0.027	20	30		CBEDLN
O=C1NC(=O)C(=NNCc2ccc(F)cc2)C(=O)N1	ZINC001347600194	890487184	/nfs/dbraw/zinc/48/71/84/890487184.db2.gz	IQDZDTSIDLVNJN-UHFFFAOYSA-N	0	2	264.216	-0.363	20	30		CBEDLN
Cn1c(=O)[nH]c(NC[C@H]2CCCOC2)c(C#N)c1=O	ZINC001347931416	890535540	/nfs/dbraw/zinc/53/55/40/890535540.db2.gz	HBOOCNLDKVEORA-MRVPVSSYSA-N	0	2	264.285	-0.216	20	30		CBEDLN
C=CCN1CC(=O)N(Cc2nnc(COC)[nH]2)C1=O	ZINC001350005497	890920521	/nfs/dbraw/zinc/92/05/21/890920521.db2.gz	DXPWCORGPAPWGR-UHFFFAOYSA-N	0	2	265.273	-0.099	20	30		CBEDLN
CC[C@H](COC)Nc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001354111171	891517303	/nfs/dbraw/zinc/51/73/03/891517303.db2.gz	ZFWMBDCNIDEABU-SSDOTTSWSA-N	0	2	252.274	-0.218	20	30		CBEDLN
C=C[C@@H](COC)Nc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001354162621	891526335	/nfs/dbraw/zinc/52/63/35/891526335.db2.gz	DBHZARIJXLXJFY-ZETCQYMHSA-N	0	2	250.258	-0.442	20	30		CBEDLN
C=CCOCCCNc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001354237981	891545929	/nfs/dbraw/zinc/54/59/29/891545929.db2.gz	RBSFEOFPKOTUMV-UHFFFAOYSA-N	0	2	264.285	-0.050	20	30		CBEDLN
C[C@@H]1COC[C@@H]1Nc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001354267371	891550221	/nfs/dbraw/zinc/55/02/21/891550221.db2.gz	IZZLHMWNYYSMJU-SVRRBLITSA-N	0	2	250.258	-0.608	20	30		CBEDLN
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC[NH+](CCO)CC1	ZINC001361905064	892299372	/nfs/dbraw/zinc/29/93/72/892299372.db2.gz	IGKPLZWPFOXERW-UHFFFAOYSA-N	0	2	290.323	-0.283	20	30		CBEDLN
Cn1c(=O)[nH]c(N[C@H]2CCNC(=O)CC2)c(C#N)c1=O	ZINC001363149648	893407474	/nfs/dbraw/zinc/40/74/74/893407474.db2.gz	CPOQVVIOWWAHGW-SSDOTTSWSA-N	0	2	277.284	-0.974	20	30		CBEDLN
Cn1c(=O)[nH]c(N[C@H](CO)C2CCCC2)c(C#N)c1=O	ZINC001363151292	893411381	/nfs/dbraw/zinc/41/13/81/893411381.db2.gz	BWIKJXNHWIFWJL-SNVBAGLBSA-N	0	2	278.312	-0.092	20	30		CBEDLN
Cn1c(=O)[nH]c(N2CCC[C@@](C)(O)CC2)c(C#N)c1=O	ZINC001363155695	893413164	/nfs/dbraw/zinc/41/31/64/893413164.db2.gz	JZKIBCOMXNSVNE-CYBMUJFWSA-N	0	2	278.312	-0.313	20	30		CBEDLN
Cn1c(=O)[nH]c(N2CC[C@@H](C(C)(C)O)C2)c(C#N)c1=O	ZINC001363156265	893414262	/nfs/dbraw/zinc/41/42/62/893414262.db2.gz	MRBZKSBMWMTOPG-MRVPVSSYSA-N	0	2	278.312	-0.458	20	30		CBEDLN
CCN1CCC[C@H](Nc2[nH]c(=O)n(C)c(=O)c2C#N)C1=O	ZINC001363162730	893419952	/nfs/dbraw/zinc/41/99/52/893419952.db2.gz	OFNLJDOOOBAHPK-VIFPVBQESA-N	0	2	291.311	-0.632	20	30		CBEDLN
N#CC1CC[NH+](Cc2cc(=O)n3[n-]c(N)nc3n2)CC1	ZINC001363199569	893450436	/nfs/dbraw/zinc/45/04/36/893450436.db2.gz	NORBFEXGCRJEMJ-UHFFFAOYSA-N	0	2	273.300	-0.265	20	30		CBEDLN
CC[C@@](C)(C#N)C(=O)NCc1nnc(CS(C)(=O)=O)[nH]1	ZINC001363669828	893901110	/nfs/dbraw/zinc/90/11/10/893901110.db2.gz	ABAYSIITADGGHB-NSHDSACASA-N	0	2	299.356	-0.095	20	30		CBEDLN
CCn1cnnc1CNc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001363719187	893937346	/nfs/dbraw/zinc/93/73/46/893937346.db2.gz	LXSBEQRAYRTUGF-UHFFFAOYSA-N	0	2	275.272	-0.831	20	30		CBEDLN
Cn1c(=O)[nH]c(N2CCC[C@H](CCO)C2)c(C#N)c1=O	ZINC001363732534	893947608	/nfs/dbraw/zinc/94/76/08/893947608.db2.gz	ODVJPXOJTQDBJS-SECBINFHSA-N	0	2	278.312	-0.456	20	30		CBEDLN
Cn1c(=O)[nH]c(NCCc2csc(=O)[nH]2)c(C#N)c1=O	ZINC001363737383	893951266	/nfs/dbraw/zinc/95/12/66/893951266.db2.gz	SVIZNEINIHNSAH-UHFFFAOYSA-N	0	2	293.308	-0.238	20	30		CBEDLN
Cc1nccnc1CCNc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001363737666	893952271	/nfs/dbraw/zinc/95/22/71/893952271.db2.gz	YHCOGCNZPWEXEK-UHFFFAOYSA-N	0	2	286.295	-0.302	20	30		CBEDLN
COC(=O)[C@@]1(C)CCN(c2[nH]c(=O)n(C)c(=O)c2C#N)C1	ZINC001363739458	893953925	/nfs/dbraw/zinc/95/39/25/893953925.db2.gz	WOVDATAVUKOBTA-ZDUSSCGKSA-N	0	2	292.295	-0.665	20	30		CBEDLN
CC(C)[C@]1(CO)CCN(c2[nH]c(=O)n(C)c(=O)c2C#N)C1	ZINC001364195682	894245334	/nfs/dbraw/zinc/24/53/34/894245334.db2.gz	RKLQSMJVTKVIES-CQSZACIVSA-N	0	2	292.339	-0.210	20	30		CBEDLN
Cn1c(=O)[nH]c(N2CC[C@@H](c3nnc[nH]3)C2)c(C#N)c1=O	ZINC001364212726	894258947	/nfs/dbraw/zinc/25/89/47/894258947.db2.gz	PAPQVQLRPXKODX-SSDOTTSWSA-N	0	2	287.283	-0.943	20	30		CBEDLN
COC[C@H](CCNc1[nH]c(=O)n(C)c(=O)c1C#N)OC	ZINC001364231085	894273323	/nfs/dbraw/zinc/27/33/23/894273323.db2.gz	PKIIAUCFBNJCHI-QMMMGPOBSA-N	0	2	282.300	-0.591	20	30		CBEDLN
Cn1c(=O)[nH]c(NCC2(C#N)CCOCC2)c(C#N)c1=O	ZINC001364266738	894294673	/nfs/dbraw/zinc/29/46/73/894294673.db2.gz	MTESRXUBTIBSRH-UHFFFAOYSA-N	0	2	289.295	-0.322	20	30		CBEDLN
CCOC(=O)[C@@H](C)[C@@H](C)Nc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001364556561	894495050	/nfs/dbraw/zinc/49/50/50/894495050.db2.gz	OBDNUWGPKBLMSW-JGVFFNPUSA-N	0	2	294.311	-0.055	20	30		CBEDLN
COC(=O)[C@H](CC(C)C)Nc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001364586444	894508240	/nfs/dbraw/zinc/50/82/40/894508240.db2.gz	GJMJSYWATVNGBP-VIFPVBQESA-N	0	2	294.311	-0.055	20	30		CBEDLN
CCc1c[nH]c(CNc2[nH]c(=O)n(C)c(=O)c2C#N)n1	ZINC001364588338	894509238	/nfs/dbraw/zinc/50/92/38/894509238.db2.gz	OIXQJSMHJWMHLP-UHFFFAOYSA-N	0	2	274.284	-0.157	20	30		CBEDLN
Cn1cc(CCNc2[nH]c(=O)n(C)c(=O)c2C#N)cn1	ZINC001365212637	894822934	/nfs/dbraw/zinc/82/29/34/894822934.db2.gz	IDCMEIFRBRZVCV-UHFFFAOYSA-N	0	2	274.284	-0.667	20	30		CBEDLN
COC(=O)c1cccnc1Cn1c(=O)[nH]cc(C#N)c1=O	ZINC001365258967	894850466	/nfs/dbraw/zinc/85/04/66/894850466.db2.gz	GMABAQCGNIBKJO-UHFFFAOYSA-N	0	2	286.247	-0.362	20	30		CBEDLN
CC(=O)Nc1nc(Cn2c(=O)[nH]cc(C#N)c2=O)cs1	ZINC001365261414	894851876	/nfs/dbraw/zinc/85/18/76/894851876.db2.gz	UBGPBPFPLCFAJV-UHFFFAOYSA-N	0	2	291.292	-0.129	20	30		CBEDLN
C[C@H](C#N)C(=O)N(C)C[C@@H](O)CNC(=O)c1[nH]ncc1F	ZINC001451918450	913930613	/nfs/dbraw/zinc/93/06/13/913930613.db2.gz	IHPKPMJDUVLYDO-SFYZADRCSA-N	0	2	297.290	-0.742	20	30		CBEDLN
C[C@H](C#N)C(=O)NCC[N@H+](Cc1n[nH]c(=O)[n-]1)C1CC1	ZINC001400000530	901849133	/nfs/dbraw/zinc/84/91/33/901849133.db2.gz	WVMCBFXJKZGPSI-MRVPVSSYSA-N	0	2	278.316	-0.249	20	30		CBEDLN
C[C@H](C#N)C(=O)NCC[N@@H+](Cc1n[nH]c(=O)[n-]1)C1CC1	ZINC001400000530	901849144	/nfs/dbraw/zinc/84/91/44/901849144.db2.gz	WVMCBFXJKZGPSI-MRVPVSSYSA-N	0	2	278.316	-0.249	20	30		CBEDLN
CN(CC(=O)OC(C)(C)C)c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001458345509	914643202	/nfs/dbraw/zinc/64/32/02/914643202.db2.gz	UWYYTGJKCAPNSB-UHFFFAOYSA-N	0	2	294.311	-0.277	20	30		CBEDLN
Cn1c(=O)[nH]c(N2CC[C@@](F)(C#N)C2)c(C#N)c1=O	ZINC001458321357	914644174	/nfs/dbraw/zinc/64/41/74/914644174.db2.gz	SHHCQHORDOZEST-LLVKDONJSA-N	0	2	263.232	-0.613	20	30		CBEDLN
C[C@H]1CN(c2[nH]c(=O)n(C)c(=O)c2C#N)C[C@H](C)C1O	ZINC001458477998	914653258	/nfs/dbraw/zinc/65/32/58/914653258.db2.gz	XHAMPAJBVOEHDT-YUMQZZPRSA-N	0	2	278.312	-0.602	20	30		CBEDLN
CCN(CC)C(=O)CNc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001458575319	914660624	/nfs/dbraw/zinc/66/06/24/914660624.db2.gz	QSDFSTOEAGAVKY-UHFFFAOYSA-N	0	2	279.300	-0.774	20	30		CBEDLN
COCCN(CCNC(=O)[C@H](C)C#N)Cc1n[nH]c(=O)[nH]1	ZINC001411218675	904261197	/nfs/dbraw/zinc/26/11/97/904261197.db2.gz	UEWHZVLCCRWTBF-SECBINFHSA-N	0	2	296.331	-0.765	20	30		CBEDLN
CC[C@H](C#N)C(=O)NCc1nnc(CS(C)(=O)=O)[nH]1	ZINC001412682360	904665007	/nfs/dbraw/zinc/66/50/07/904665007.db2.gz	BYGWZGDEPHLYFP-SSDOTTSWSA-N	0	2	285.329	-0.485	20	30		CBEDLN
Cn1c(=O)[nH]c(N[C@@H]2CCc3c[nH]nc3C2)c(C#N)c1=O	ZINC001412876029	904777982	/nfs/dbraw/zinc/77/79/82/904777982.db2.gz	GOKKSEVKWRDTEU-MRVPVSSYSA-N	0	2	286.295	-0.362	20	30		CBEDLN
CCN(C)C(=O)[C@@H](C)Nc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001412887609	904785702	/nfs/dbraw/zinc/78/57/02/904785702.db2.gz	VWYUIXOHXHADNE-SSDOTTSWSA-N	0	2	279.300	-0.776	20	30		CBEDLN
COC(=O)CCCN(C)c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001412899567	904789209	/nfs/dbraw/zinc/78/92/09/904789209.db2.gz	OPIUCWPLPFPYLK-UHFFFAOYSA-N	0	2	280.284	-0.665	20	30		CBEDLN
COC(=O)c1cnoc1Cn1c(=O)[nH]cc(C#N)c1=O	ZINC001412921137	904798686	/nfs/dbraw/zinc/79/86/86/904798686.db2.gz	HUFUPMBTXKHZGZ-UHFFFAOYSA-N	0	2	276.208	-0.769	20	30		CBEDLN
N#CC1CN(C(=O)c2ccc(-n3[nH]c(=O)[nH]c3=O)cc2)C1	ZINC001413019420	904869562	/nfs/dbraw/zinc/86/95/62/904869562.db2.gz	HWTRANGGHKPXOZ-UHFFFAOYSA-N	0	2	285.263	-0.138	20	30		CBEDLN
CCCCN(CCCO)c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001413884243	905253357	/nfs/dbraw/zinc/25/33/57/905253357.db2.gz	DGTHUTBOXPRRRC-UHFFFAOYSA-N	0	2	280.328	-0.066	20	30		CBEDLN
COC(=O)[C@H]1CCN(c2[nH]c(=O)n(C)c(=O)c2C#N)[C@@H]1C	ZINC001413886606	905254671	/nfs/dbraw/zinc/25/46/71/905254671.db2.gz	PRFWQRSIYMTWBA-SFYZADRCSA-N	0	2	292.295	-0.667	20	30		CBEDLN
Cc1nc([C@@H](C)Nc2[nH]c(=O)n(C)c(=O)c2C#N)no1	ZINC001413885401	905254719	/nfs/dbraw/zinc/25/47/19/905254719.db2.gz	SFABTVPYWXYRDW-RXMQYKEDSA-N	0	2	276.256	-0.190	20	30		CBEDLN
CN1C[C@H](CCNc2[nH]c(=O)n(C)c(=O)c2C#N)CC1=O	ZINC001413909352	905269744	/nfs/dbraw/zinc/26/97/44/905269744.db2.gz	NHLCGQZDYAYGHT-MRVPVSSYSA-N	0	2	291.311	-0.774	20	30		CBEDLN
CN(C)c1cc(Cn2c(=O)[nH]cc(C#N)c2=O)ccn1	ZINC001413929807	905276165	/nfs/dbraw/zinc/27/61/65/905276165.db2.gz	MBJQXOHNPCBZRG-UHFFFAOYSA-N	0	2	271.280	-0.082	20	30		CBEDLN
N#Cc1cccc(NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)n1	ZINC001417560428	905908829	/nfs/dbraw/zinc/90/88/29/905908829.db2.gz	BALADPCHMPGQKX-UHFFFAOYSA-N	0	2	295.262	-0.023	20	30		CBEDLN
COC[C@H](NC(=O)c1ccc(C#N)c(O)c1)c1nn[nH]n1	ZINC001419546357	906718241	/nfs/dbraw/zinc/71/82/41/906718241.db2.gz	APOZZQFEWWTDPV-VIFPVBQESA-N	0	2	288.267	-0.106	20	30		CBEDLN
CSC[C@](C)(O)CNc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001421084179	907421036	/nfs/dbraw/zinc/42/10/36/907421036.db2.gz	SIGGJFOUPGWMRE-LLVKDONJSA-N	0	2	284.341	-0.529	20	30		CBEDLN
Cn1c(=O)[nH]c(N[C@@H]2CC[C@@H]([S@](C)=O)C2)c(C#N)c1=O	ZINC001421289895	907483276	/nfs/dbraw/zinc/48/32/76/907483276.db2.gz	JMHHVAUPMJOEHG-UWCLWIGYSA-N	0	2	296.352	-0.343	20	30		CBEDLN
Cn1c(=O)[nH]c(N[C@@H]2CC[C@@H]([S@@](C)=O)C2)c(C#N)c1=O	ZINC001421289892	907486192	/nfs/dbraw/zinc/48/61/92/907486192.db2.gz	JMHHVAUPMJOEHG-SEJYDQARSA-N	0	2	296.352	-0.343	20	30		CBEDLN
Cc1ccc([C@H](O)CNc2[nH]c(=O)n(C)c(=O)c2C#N)o1	ZINC001434435200	910180925	/nfs/dbraw/zinc/18/09/25/910180925.db2.gz	GYPUVCNMLUEUBS-SECBINFHSA-N	0	2	290.279	-0.008	20	30		CBEDLN
Cn1c(=O)[nH]c(NC2CCC(C(N)=O)CC2)c(C#N)c1=O	ZINC001434435373	910181517	/nfs/dbraw/zinc/18/15/17/910181517.db2.gz	BRUJIMAGCPTECQ-UHFFFAOYSA-N	0	2	291.311	-0.599	20	30		CBEDLN
COC(=O)[C@H](C)CN(C)c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001434442059	910183489	/nfs/dbraw/zinc/18/34/89/910183489.db2.gz	MARFHLXXMPHWTQ-SSDOTTSWSA-N	0	2	280.284	-0.809	20	30		CBEDLN
Cn1c(=O)[nH]c(NCC(C)(C)CCO)c(C#N)c1=O	ZINC001472709718	915760359	/nfs/dbraw/zinc/76/03/59/915760359.db2.gz	UUGUTEFGNJSUTL-UHFFFAOYSA-N	0	2	266.301	-0.234	20	30		CBEDLN
CC(C)N(CCOCCO)c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001472766614	915764737	/nfs/dbraw/zinc/76/47/37/915764737.db2.gz	OTVBRURBRSAAPP-UHFFFAOYSA-N	0	2	296.327	-0.831	20	30		CBEDLN
C[C@H]1C[C@@H](Nc2[nH]c(=O)n(C)c(=O)c2C#N)c2ncnn21	ZINC001472830628	915767988	/nfs/dbraw/zinc/76/79/88/915767988.db2.gz	GVLGXQMEXOMJRU-POYBYMJQSA-N	0	2	287.283	-0.345	20	30		CBEDLN
C[C@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)c1cnccn1	ZINC001472818716	915768244	/nfs/dbraw/zinc/76/82/44/915768244.db2.gz	WKHVDDWRNKXWDE-ZETCQYMHSA-N	0	2	272.268	-0.092	20	30		CBEDLN
C[C@@H]1CN(c2[nH]c(=O)n(C)c(=O)c2C#N)C[C@]1(C)CO	ZINC001472836121	915772607	/nfs/dbraw/zinc/77/26/07/915772607.db2.gz	XUTITXCCVSBWSQ-AMIZOPFISA-N	0	2	278.312	-0.600	20	30		CBEDLN
C#C[C@@H](C)N(C)C(=O)NCc1nnc(CS(C)(=O)=O)[nH]1	ZINC001479427733	916128662	/nfs/dbraw/zinc/12/86/62/916128662.db2.gz	IIHGGNHDNVAKTA-MRVPVSSYSA-N	0	2	299.356	-0.488	20	30		CBEDLN
CC#CCNC(=O)NCc1nnc(CS(C)(=O)=O)[nH]1	ZINC001479429450	916130437	/nfs/dbraw/zinc/13/04/37/916130437.db2.gz	ULDMWLOYJVYVRS-UHFFFAOYSA-N	0	2	285.329	-0.828	20	30		CBEDLN
C#CCO[C@@H](C)C(=O)NCC[N@H+](C)Cc1n[nH]c(=O)[n-]1	ZINC001480864491	916594303	/nfs/dbraw/zinc/59/43/03/916594303.db2.gz	QDUXPRXXUPDRPC-VIFPVBQESA-N	0	2	281.316	-0.903	20	30		CBEDLN
C#CCO[C@@H](C)C(=O)NCC[N@@H+](C)Cc1n[nH]c(=O)[n-]1	ZINC001480864491	916594313	/nfs/dbraw/zinc/59/43/13/916594313.db2.gz	QDUXPRXXUPDRPC-VIFPVBQESA-N	0	2	281.316	-0.903	20	30		CBEDLN
C#CCO[C@H](C)C(=O)NCC[N@H+](C)Cc1n[nH]c(=O)[n-]1	ZINC001480864490	916595626	/nfs/dbraw/zinc/59/56/26/916595626.db2.gz	QDUXPRXXUPDRPC-SECBINFHSA-N	0	2	281.316	-0.903	20	30		CBEDLN
C#CCO[C@H](C)C(=O)NCC[N@@H+](C)Cc1n[nH]c(=O)[n-]1	ZINC001480864490	916595634	/nfs/dbraw/zinc/59/56/34/916595634.db2.gz	QDUXPRXXUPDRPC-SECBINFHSA-N	0	2	281.316	-0.903	20	30		CBEDLN
O=C(C#CC1CC1)NC1CN(Cc2n[nH]c(=O)[nH]2)C1	ZINC001481557986	916883220	/nfs/dbraw/zinc/88/32/20/916883220.db2.gz	HOVJQGOKZUHPDQ-UHFFFAOYSA-N	0	2	261.285	-0.776	20	30		CBEDLN
C=CCOCCCC(=O)NC1CN(Cc2n[nH]c(=O)[nH]2)C1	ZINC001494368000	919687891	/nfs/dbraw/zinc/68/78/91/919687891.db2.gz	FOKXQRYPJNFBFT-UHFFFAOYSA-N	0	2	295.343	-0.207	20	30		CBEDLN
C=CCOCC(=O)NC[C@@H]1CCN1Cc1n[nH]c(=O)[nH]1	ZINC001498946421	920666785	/nfs/dbraw/zinc/66/67/85/920666785.db2.gz	WJLNVXWZYRWZRW-VIFPVBQESA-N	0	2	281.316	-0.597	20	30		CBEDLN
C=CC(C)(C)C(=O)NCC1(O)CN(Cc2n[nH]c(=O)[nH]2)C1	ZINC001500899424	920914990	/nfs/dbraw/zinc/91/49/90/920914990.db2.gz	BWWSQYDFEZRYGB-UHFFFAOYSA-N	0	2	295.343	-0.615	20	30		CBEDLN
Cn1c(=O)[nH]c(NC[C@H]2CCCCO2)c(C#N)c1=O	ZINC001515391573	922235312	/nfs/dbraw/zinc/23/53/12/922235312.db2.gz	SYWWNPOSZPORPO-MRVPVSSYSA-N	0	2	264.285	-0.074	20	30		CBEDLN
CCO[C@@]1(C)C[C@H]1Nc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001515930557	922244613	/nfs/dbraw/zinc/24/46/13/922244613.db2.gz	ZENRFDIEYYPHBO-PELKAZGASA-N	0	2	264.285	-0.075	20	30		CBEDLN
C#CCOCCN(C)c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001516763797	922249863	/nfs/dbraw/zinc/24/98/63/922249863.db2.gz	ZGDJQMCKPFENFE-UHFFFAOYSA-N	0	2	262.269	-0.969	20	30		CBEDLN
N#Cc1ccc(NCC(=O)N[C@H]2CCC(=O)NC2=O)nc1	ZINC001545936986	923330259	/nfs/dbraw/zinc/33/02/59/923330259.db2.gz	ABQUNBMFHIGGBW-VIFPVBQESA-N	0	2	287.279	-0.713	20	30		CBEDLN
C=CCC[C@@H](CO)NC(=O)C[C@H]1SC(=N)NC1=O	ZINC001556585683	924067941	/nfs/dbraw/zinc/06/79/41/924067941.db2.gz	BPVSPVQVZWINEW-JGVFFNPUSA-N	0	2	271.342	-0.014	20	30		CBEDLN
CC(C)C(=O)NCCNc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001559097317	924211753	/nfs/dbraw/zinc/21/17/53/924211753.db2.gz	SWHJMVGYRZKXPZ-UHFFFAOYSA-N	0	2	279.300	-0.871	20	30		CBEDLN
COC(=O)C[C@@H](C)Nc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001559263708	924217423	/nfs/dbraw/zinc/21/74/23/924217423.db2.gz	DEZCDDDLDSTNQD-ZCFIWIBFSA-N	0	2	266.257	-0.691	20	30		CBEDLN
Cn1nnc(NS(=O)(=O)c2ccc(C#N)cc2)n1	ZINC000127344881	351863259	/nfs/dbraw/zinc/86/32/59/351863259.db2.gz	NFNYWFKKGSZCIA-UHFFFAOYSA-N	0	2	264.270	-0.117	20	30		CBEDLN
COC(=O)[C@@]1(NS(=O)(=O)CC2(C#N)CC2)CCOC1	ZINC000361822875	353663930	/nfs/dbraw/zinc/66/39/30/353663930.db2.gz	PRFWIEQJGKBZDK-LLVKDONJSA-N	0	2	288.325	-0.458	20	30		CBEDLN
C=CCN1CC[C@H]([N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C1=O	ZINC000519426529	354561923	/nfs/dbraw/zinc/56/19/23/354561923.db2.gz	LJKXCRJPULGDOF-SRVKXCTJSA-N	0	2	278.356	-0.983	20	30		CBEDLN
CC(C)n1cc(Cn2c(=O)[nH]cc(C#N)c2=O)nn1	ZINC000569722772	354845350	/nfs/dbraw/zinc/84/53/50/354845350.db2.gz	DTMCTAHPCNGLSQ-UHFFFAOYSA-N	0	2	260.257	-0.371	20	30		CBEDLN
C[C@](C#N)(NC(=O)Cn1c(=O)[nH]cc(C#N)c1=O)C1CC1	ZINC000579836555	354980760	/nfs/dbraw/zinc/98/07/60/354980760.db2.gz	MUDAQOUYMAEYMS-CYBMUJFWSA-N	0	2	287.279	-0.783	20	30		CBEDLN
Cc1nnc(Cn2c(=O)[nH]cc(C#N)c2=O)n1C1CC1	ZINC000592354368	355148976	/nfs/dbraw/zinc/14/89/76/355148976.db2.gz	BJACIJHAIXHYKJ-UHFFFAOYSA-N	0	2	272.268	-0.309	20	30		CBEDLN
C[C@H]1CCCN(C(=O)Cn2c(=O)[nH]cc(C#N)c2=O)C1	ZINC000592354950	355149231	/nfs/dbraw/zinc/14/92/31/355149231.db2.gz	FPVFMCXBUMFNKP-VIFPVBQESA-N	0	2	276.296	-0.333	20	30		CBEDLN
CN(CC(=O)Nc1nc(C#N)c(C#N)[nH]1)C(=O)C1CC1	ZINC000609599563	355772109	/nfs/dbraw/zinc/77/21/09/355772109.db2.gz	NQJUWLQIGPFXBB-UHFFFAOYSA-N	0	2	272.268	-0.040	20	30		CBEDLN
C=CCNC(=O)NC(=O)C[N@H+](CCOC)CC(=O)[O-]	ZINC000049607236	419452558	/nfs/dbraw/zinc/45/25/58/419452558.db2.gz	KXWDPTPMPDPKMK-UHFFFAOYSA-N	0	2	273.289	-0.969	20	30		CBEDLN
C=CCNC(=O)NC(=O)C[N@@H+](CCOC)CC(=O)[O-]	ZINC000049607236	419452568	/nfs/dbraw/zinc/45/25/68/419452568.db2.gz	KXWDPTPMPDPKMK-UHFFFAOYSA-N	0	2	273.289	-0.969	20	30		CBEDLN
N#Cc1ccc(NCCCc2n[nH]c(=O)[nH]2)nc1N	ZINC000578549548	420466464	/nfs/dbraw/zinc/46/64/64/420466464.db2.gz	RBBOLPQROJBTHW-UHFFFAOYSA-N	0	2	259.273	0.404	20	30		CBEDLN
CC(C)(C)OC(=O)Cn1c(=O)[nH]cc(C#N)c1=O	ZINC000569927436	327555710	/nfs/dbraw/zinc/55/57/10/327555710.db2.gz	VJJFAIJDBODYHN-UHFFFAOYSA-N	0	2	251.242	-0.250	20	30		CBEDLN
CCC(C)(C)NC(=O)Cn1c(=O)[nH]cc(C#N)c1=O	ZINC000581190449	336021720	/nfs/dbraw/zinc/02/17/20/336021720.db2.gz	PVJZKVZPXSTYMO-UHFFFAOYSA-N	0	2	264.285	-0.287	20	30		CBEDLN
CCS(=O)(=O)CC[NH2+][C@@H]1CN(C(=O)[O-])C[C@H]1C#N	ZINC000833863054	583087993	/nfs/dbraw/zinc/08/79/93/583087993.db2.gz	GCOXEYIRZYCLQV-RKDXNWHRSA-N	0	2	275.330	-0.487	20	30		CBEDLN
N#CCCCOC(=O)Cn1[nH]cc2c(=O)ncnc1-2	ZINC000730657615	582151022	/nfs/dbraw/zinc/15/10/22/582151022.db2.gz	RRFZLWATXKZHHA-UHFFFAOYSA-N	0	2	261.241	-0.082	20	30		CBEDLN
C#CC[N@H+]1CCC[C@H]1C(=O)Nc1n[nH]c(CC(=O)[O-])n1	ZINC000736079396	582195510	/nfs/dbraw/zinc/19/55/10/582195510.db2.gz	LZMSGONQWILMFV-QMMMGPOBSA-N	0	2	277.284	-0.532	20	30		CBEDLN
C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1n[nH]c(CC(=O)[O-])n1	ZINC000736079396	582195512	/nfs/dbraw/zinc/19/55/12/582195512.db2.gz	LZMSGONQWILMFV-QMMMGPOBSA-N	0	2	277.284	-0.532	20	30		CBEDLN
C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCO[C@H](C(=O)[O-])C1	ZINC000736106286	582197415	/nfs/dbraw/zinc/19/74/15/582197415.db2.gz	XDUOVKMDTUBSAR-BDAKNGLRSA-N	0	2	285.300	-0.828	20	30		CBEDLN
C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCO[C@H](C(=O)[O-])C1	ZINC000736106286	582197416	/nfs/dbraw/zinc/19/74/16/582197416.db2.gz	XDUOVKMDTUBSAR-BDAKNGLRSA-N	0	2	285.300	-0.828	20	30		CBEDLN
N#C[C@H]1COCCN1C(=O)C[C@@H]1SC(=N)NC1=O	ZINC000756953129	582304662	/nfs/dbraw/zinc/30/46/62/582304662.db2.gz	CZBHMRLPYNMDLY-BQBZGAKWSA-N	0	2	268.298	-0.706	20	30		CBEDLN
COCC#CCOC(=O)Cn1[nH]cc2c(=O)ncnc1-2	ZINC000762820043	582318320	/nfs/dbraw/zinc/31/83/20/582318320.db2.gz	NKBPURNWGRNIBU-UHFFFAOYSA-N	0	2	276.252	-0.736	20	30		CBEDLN
N#Cc1ccnc(NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)c1	ZINC000766958627	582331474	/nfs/dbraw/zinc/33/14/74/582331474.db2.gz	XHGBUTSHFNIMHT-UHFFFAOYSA-N	0	2	295.262	-0.023	20	30		CBEDLN
C=CCOCCNC(=O)Cn1[nH]cc2c(=O)ncnc1-2	ZINC000780251480	582363820	/nfs/dbraw/zinc/36/38/20/582363820.db2.gz	FEBBLBHRYTZKIK-UHFFFAOYSA-N	0	2	277.284	-0.610	20	30		CBEDLN
Cn1nncc1NS(=O)(=O)c1cncc(C#N)c1	ZINC000811832333	582451469	/nfs/dbraw/zinc/45/14/69/582451469.db2.gz	ZBMKHTDAZRPYAP-UHFFFAOYSA-N	0	2	264.270	-0.117	20	30		CBEDLN
C#CCOCCC(=O)NS(=O)(=O)c1cnn(C)c1C	ZINC000813952348	582455574	/nfs/dbraw/zinc/45/55/74/582455574.db2.gz	HWSHZKMMDPZAQN-UHFFFAOYSA-N	0	2	285.325	-0.427	20	30		CBEDLN
Cc1cccc(CNN=C2C(=O)NC(=O)NC2=O)c1	ZINC000814223544	582456101	/nfs/dbraw/zinc/45/61/01/582456101.db2.gz	JHUVCTAZMVYTDP-UHFFFAOYSA-N	0	2	260.253	-0.193	20	30		CBEDLN
C[C@H](COc1ccccc1)NN=C1C(=O)NC(=O)NC1=O	ZINC000814228760	582456117	/nfs/dbraw/zinc/45/61/17/582456117.db2.gz	KEKUXBOZHDGYDW-MRVPVSSYSA-N	0	2	290.279	-0.235	20	30		CBEDLN
CC1(C)C[C@@H](NN=C2C(=O)NC(=O)NC2=O)CCO1	ZINC000814227228	582456195	/nfs/dbraw/zinc/45/61/95/582456195.db2.gz	DCQIRRFKZURPQT-LURJTMIESA-N	0	2	268.273	-0.744	20	30		CBEDLN
O=C(N[C@H]1CCN(O)C1=O)[C@@H]1CCCc2[nH]ncc21	ZINC000816695712	582480804	/nfs/dbraw/zinc/48/08/04/582480804.db2.gz	JNBHMVNOFACKQD-XCBNKYQSSA-N	0	2	264.285	-0.064	20	30		CBEDLN
C[C@](C#N)(CC(=O)[O-])C(=O)N1CC[C@H]([NH+]2CCOCC2)C1	ZINC000819811268	582542552	/nfs/dbraw/zinc/54/25/52/582542552.db2.gz	MOXSCJVKQMYPMD-SMDDNHRTSA-N	0	2	295.339	-0.076	20	30		CBEDLN
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CC[NH+]([C@H]2CCOC2)CC1	ZINC000819821441	582542875	/nfs/dbraw/zinc/54/28/75/582542875.db2.gz	GRHRLRYUCTWXLZ-FZMZJTMJSA-N	0	2	295.339	-0.076	20	30		CBEDLN
C[C@@](C#N)(CC(=O)[O-])C(=O)NCC[NH+]1CCOCC1	ZINC000819836058	582543614	/nfs/dbraw/zinc/54/36/14/582543614.db2.gz	ZZHJINLMWOLGKG-LBPRGKRZSA-N	0	2	269.301	-0.561	20	30		CBEDLN
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+](C)CC(=O)[O-])CC1	ZINC000819955092	582546028	/nfs/dbraw/zinc/54/60/28/582546028.db2.gz	HYRSNCTTWZSFTB-GFCCVEGCSA-N	0	2	296.371	-0.305	20	30		CBEDLN
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+](C)CC(=O)[O-])CC1	ZINC000819955092	582546030	/nfs/dbraw/zinc/54/60/30/582546030.db2.gz	HYRSNCTTWZSFTB-GFCCVEGCSA-N	0	2	296.371	-0.305	20	30		CBEDLN
CN(CC[NH+]1CCOCC1)C(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820597362	582575860	/nfs/dbraw/zinc/57/58/60/582575860.db2.gz	LCQRPBBFNOIFCG-CYBMUJFWSA-N	0	2	283.328	-0.218	20	30		CBEDLN
C[N@@H+]1CCO[C@@H]2CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C[C@H]21	ZINC000820626151	582577225	/nfs/dbraw/zinc/57/72/25/582577225.db2.gz	JCKZYYXUZJQMPB-GIPNMCIBSA-N	0	2	281.312	-0.468	20	30		CBEDLN
C[N@H+]1CCO[C@@H]2CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C[C@H]21	ZINC000820626151	582577227	/nfs/dbraw/zinc/57/72/27/582577227.db2.gz	JCKZYYXUZJQMPB-GIPNMCIBSA-N	0	2	281.312	-0.468	20	30		CBEDLN
C#CC[NH+]1CCN(C(=O)[C@H]2CN(C(=O)[O-])CCO2)CC1	ZINC000823451310	582669479	/nfs/dbraw/zinc/66/94/79/582669479.db2.gz	SFWDRNVLGBCXMJ-LLVKDONJSA-N	0	2	281.312	-0.857	20	30		CBEDLN
C#CCNC(=O)CO[NH+]=C(N)[C@@H](CC(C)C)NC(=O)[O-]	ZINC000823457315	582669815	/nfs/dbraw/zinc/66/98/15/582669815.db2.gz	XQFMCWUVXZJMLN-SECBINFHSA-N	0	2	284.316	-0.083	20	30		CBEDLN
C[C@H](C#N)C(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)[O-]	ZINC000823648213	582676073	/nfs/dbraw/zinc/67/60/73/582676073.db2.gz	QYUTYSATBFMYDJ-RKDXNWHRSA-N	0	2	254.290	-0.444	20	30		CBEDLN
C[C@H](C#N)C(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)[O-]	ZINC000823648213	582676074	/nfs/dbraw/zinc/67/60/74/582676074.db2.gz	QYUTYSATBFMYDJ-RKDXNWHRSA-N	0	2	254.290	-0.444	20	30		CBEDLN
C#CCCCn1c(=O)c(-c2nn[nH]n2)cn(C)c1=O	ZINC000823841899	582681393	/nfs/dbraw/zinc/68/13/93/582681393.db2.gz	UPAZHTLGXYEGEP-UHFFFAOYSA-N	0	2	260.257	-0.860	20	30		CBEDLN
C#CCCCn1c(=O)c(-c2nn[nH]n2)cn(CC)c1=O	ZINC000823846015	582681667	/nfs/dbraw/zinc/68/16/67/582681667.db2.gz	XKVMAIVPMIDWOJ-UHFFFAOYSA-N	0	2	274.284	-0.377	20	30		CBEDLN
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCO[C@H](CC(=O)[O-])C1	ZINC000825687426	582744182	/nfs/dbraw/zinc/74/41/82/582744182.db2.gz	JQYFBIRBHSPYKU-VHSXEESVSA-N	0	2	299.327	-0.438	20	30		CBEDLN
C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCO[C@H](CC(=O)[O-])C1	ZINC000825687426	582744185	/nfs/dbraw/zinc/74/41/85/582744185.db2.gz	JQYFBIRBHSPYKU-VHSXEESVSA-N	0	2	299.327	-0.438	20	30		CBEDLN
C#CCOCCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-]	ZINC000833363822	583063898	/nfs/dbraw/zinc/06/38/98/583063898.db2.gz	ARPKTOCWFYMVQT-JTQLQIEISA-N	0	2	265.269	-0.439	20	30		CBEDLN
C#CCOCCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-]	ZINC000833363822	583063902	/nfs/dbraw/zinc/06/39/02/583063902.db2.gz	ARPKTOCWFYMVQT-JTQLQIEISA-N	0	2	265.269	-0.439	20	30		CBEDLN
C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](OC)C[C@@H]1C(=O)[O-]	ZINC000833376550	583064609	/nfs/dbraw/zinc/06/46/09/583064609.db2.gz	GVFLPSPOMYOXFS-NXEZZACHSA-N	0	2	299.327	-0.438	20	30		CBEDLN
C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](OC)C[C@@H]1C(=O)[O-]	ZINC000833376550	583064611	/nfs/dbraw/zinc/06/46/11/583064611.db2.gz	GVFLPSPOMYOXFS-NXEZZACHSA-N	0	2	299.327	-0.438	20	30		CBEDLN
C=CCNC(=O)NC(=O)Cn1cc(C(=O)[O-])[nH+]c1C	ZINC000833376714	583064617	/nfs/dbraw/zinc/06/46/17/583064617.db2.gz	PUTGPLLRIDRMMM-UHFFFAOYSA-N	0	2	266.257	-0.098	20	30		CBEDLN
C=CCNC(=O)NC(=O)C[N@@H+](C)[C@@H](COCC)C(=O)[O-]	ZINC000833376892	583065010	/nfs/dbraw/zinc/06/50/10/583065010.db2.gz	UQNLEXNPXPHXOD-VIFPVBQESA-N	0	2	287.316	-0.580	20	30		CBEDLN
C=CCNC(=O)NC(=O)C[N@H+](C)[C@@H](COCC)C(=O)[O-]	ZINC000833376892	583065011	/nfs/dbraw/zinc/06/50/11/583065011.db2.gz	UQNLEXNPXPHXOD-VIFPVBQESA-N	0	2	287.316	-0.580	20	30		CBEDLN
C=CCNC(=O)C[N@H+]1CC[C@@H](C(=O)OC)C[C@@H]1C(=O)[O-]	ZINC000833377065	583065041	/nfs/dbraw/zinc/06/50/41/583065041.db2.gz	LHZSSOOGZUNLNL-NXEZZACHSA-N	0	2	284.312	-0.373	20	30		CBEDLN
C=CCNC(=O)C[N@@H+]1CC[C@@H](C(=O)OC)C[C@@H]1C(=O)[O-]	ZINC000833377065	583065042	/nfs/dbraw/zinc/06/50/42/583065042.db2.gz	LHZSSOOGZUNLNL-NXEZZACHSA-N	0	2	284.312	-0.373	20	30		CBEDLN
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COCC(=O)N(C)CC(=O)C(C#N)=C([O-])c1[nH+]ccn1C	ZINC001344007024	889990743	/nfs/dbraw/zinc/99/07/43/889990743.db2.gz	XFHVEVSKAUSMIU-SECBINFHSA-N	0	2	292.295	-0.584	20	30		CBEDLN
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CC[C@](C)(C#N)C(=O)NCc1nnc(CS(C)(=O)=O)[nH]1	ZINC001363669803	893899485	/nfs/dbraw/zinc/89/94/85/893899485.db2.gz	ABAYSIITADGGHB-LLVKDONJSA-N	0	2	299.356	-0.095	20	30		CBEDLN
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C[C@H]1C[N@H+](CCNc2[n-]c(=O)n(C)c(=O)c2C#N)CCO1	ZINC001364155392	894218257	/nfs/dbraw/zinc/21/82/57/894218257.db2.gz	ZLEVKOJISAMECK-VIFPVBQESA-N	0	2	293.327	-0.922	20	30		CBEDLN
C[C@H]1C[N@@H+](CCNc2[n-]c(=O)n(C)c(=O)c2C#N)CCO1	ZINC001364155392	894218269	/nfs/dbraw/zinc/21/82/69/894218269.db2.gz	ZLEVKOJISAMECK-VIFPVBQESA-N	0	2	293.327	-0.922	20	30		CBEDLN
CC(C)N1C[C@@H](Nc2[nH]c(=O)n(C)c(=O)c2C#N)CC1=O	ZINC001364162681	894225057	/nfs/dbraw/zinc/22/50/57/894225057.db2.gz	HRZLKXNDTMYOKX-QMMMGPOBSA-N	0	2	291.311	-0.634	20	30		CBEDLN
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CC(C)NC(=O)[C@@H](C)Nc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001413896575	905259451	/nfs/dbraw/zinc/25/94/51/905259451.db2.gz	OWTRADUPFTWAEN-SSDOTTSWSA-N	0	2	279.300	-0.730	20	30		CBEDLN
Cn1c(=O)[nH]c(NCCC2(CO)CCC2)c(C#N)c1=O	ZINC001413892289	905260770	/nfs/dbraw/zinc/26/07/70/905260770.db2.gz	MOBIZMSAWZIGCD-UHFFFAOYSA-N	0	2	278.312	-0.090	20	30		CBEDLN
Cc1n[nH]cc1CN(C)c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001413896378	905262074	/nfs/dbraw/zinc/26/20/74/905262074.db2.gz	YFXDRWHJFGHKAN-UHFFFAOYSA-N	0	2	274.284	-0.387	20	30		CBEDLN
Cn1c(=O)[nH]c(N[C@@H]2C[C@H](O)C23CCC3)c(C#N)c1=O	ZINC001413902181	905265049	/nfs/dbraw/zinc/26/50/49/905265049.db2.gz	VSOFREASQDQTFK-BDAKNGLRSA-N	0	2	276.296	-0.339	20	30		CBEDLN
Cn1c(=O)[nH]c(NCc2cccc(N)n2)c(C#N)c1=O	ZINC001413922112	905275988	/nfs/dbraw/zinc/27/59/88/905275988.db2.gz	VIBJLCCSHWIXOP-UHFFFAOYSA-N	0	2	272.268	-0.465	20	30		CBEDLN
Cc1cc(NC(=O)Cn2c(=O)[nH]cc(C#N)c2=O)on1	ZINC001413932094	905280205	/nfs/dbraw/zinc/28/02/05/905280205.db2.gz	RSHJZFGTWNTCCL-UHFFFAOYSA-N	0	2	275.224	-0.657	20	30		CBEDLN
Cc1noc(CN(C)c2[nH]c(=O)n(C)c(=O)c2C#N)n1	ZINC001421167904	907451437	/nfs/dbraw/zinc/45/14/37/907451437.db2.gz	NOENHLNUMWDNDE-UHFFFAOYSA-N	0	2	276.256	-0.727	20	30		CBEDLN
C[C@@H]1CN(c2[nH]c(=O)n(C)c(=O)c2C#N)Cc2c[nH]nc21	ZINC001421214738	907466758	/nfs/dbraw/zinc/46/67/58/907466758.db2.gz	CCNZUQONEUKBDI-SSDOTTSWSA-N	0	2	286.295	-0.208	20	30		CBEDLN
Cn1c(=O)[nH]c(N2C[C@H](O)CC(C)(C)C2)c(C#N)c1=O	ZINC001421217677	907467672	/nfs/dbraw/zinc/46/76/72/907467672.db2.gz	MPCYRJUICXDPDT-MRVPVSSYSA-N	0	2	278.312	-0.458	20	30		CBEDLN
Cn1c(=O)[nH]c(NCc2ccc(C(N)=O)cc2)c(C#N)c1=O	ZINC001434434714	910180579	/nfs/dbraw/zinc/18/05/79/910180579.db2.gz	IYXRARYLDMZTMW-UHFFFAOYSA-N	0	2	299.290	-0.344	20	30		CBEDLN
Cn1c(=O)[nH]c(Nc2ccc(CC(N)=O)cc2)c(C#N)c1=O	ZINC001434435178	910181645	/nfs/dbraw/zinc/18/16/45/910181645.db2.gz	SYGZLWDXFKKACY-UHFFFAOYSA-N	0	2	299.290	-0.283	20	30		CBEDLN
C[C@H]1c2nncn2CCN1c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001434446466	910189387	/nfs/dbraw/zinc/18/93/87/910189387.db2.gz	NRLRMWBHPXPDTI-ZETCQYMHSA-N	0	2	287.283	-0.882	20	30		CBEDLN
CS(=O)(=O)Cc1nnc(CNc2ccnc(C#N)c2)[nH]1	ZINC001434449948	910191973	/nfs/dbraw/zinc/19/19/73/910191973.db2.gz	OZAIJDNNUCOQIS-UHFFFAOYSA-N	0	2	292.324	-0.350	20	30		CBEDLN
COCCN(CC#N)C(=O)C[C@@H]1SC(=N)NC1=O	ZINC001468722192	915325656	/nfs/dbraw/zinc/32/56/56/915325656.db2.gz	VOXRKUDWARRQPT-ZETCQYMHSA-N	0	2	270.314	-0.459	20	30		CBEDLN
CN(C[C@@H](O)C1CC1)c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001472721435	915761082	/nfs/dbraw/zinc/76/10/82/915761082.db2.gz	ISEXDNWTVKRDHW-SECBINFHSA-N	0	2	264.285	-0.848	20	30		CBEDLN
Cc1nnc([C@H](C)Nc2[nH]c(=O)n(C)c(=O)c2C#N)[nH]1	ZINC001472778135	915763122	/nfs/dbraw/zinc/76/31/22/915763122.db2.gz	XXYHHBNFYQHXET-YFKPBYRVSA-N	0	2	275.272	-0.455	20	30		CBEDLN
CC[C@@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)C(C)(C)O	ZINC001472793218	915768740	/nfs/dbraw/zinc/76/87/40/915768740.db2.gz	AHPVOCLUVUXYRV-MRVPVSSYSA-N	0	2	266.301	-0.093	20	30		CBEDLN
Cn1c(=O)[nH]c(N2CC[C@@H]3OCC[C@@H]3C2)c(C#N)c1=O	ZINC001472817618	915769686	/nfs/dbraw/zinc/76/96/86/915769686.db2.gz	WHWWSKZAMRNAOU-SCZZXKLOSA-N	0	2	276.296	-0.440	20	30		CBEDLN
C[C@H]1CN(c2[nH]c(=O)n(C)c(=O)c2C#N)C[C@]1(C)CO	ZINC001472836122	915773246	/nfs/dbraw/zinc/77/32/46/915773246.db2.gz	XUTITXCCVSBWSQ-ISVAXAHUSA-N	0	2	278.312	-0.600	20	30		CBEDLN
Cn1c(=O)[nH]c(N[C@@H](CO)c2ccccn2)c(C#N)c1=O	ZINC001472883434	915776136	/nfs/dbraw/zinc/77/61/36/915776136.db2.gz	UBGIUYJCXMQZAC-JTQLQIEISA-N	0	2	287.279	-0.514	20	30		CBEDLN
Cc1c(C#N)c(=O)n(Cc2n[nH]c(=O)[nH]2)c(=O)n1C1CC1	ZINC001473073421	915796880	/nfs/dbraw/zinc/79/68/80/915796880.db2.gz	SXXXPKXQBVMQFG-UHFFFAOYSA-N	0	2	288.267	-0.603	20	30		CBEDLN
N#CCNC(=O)CN1CC(NC(=O)C(F)C(F)(F)F)C1	ZINC001481561777	916883548	/nfs/dbraw/zinc/88/35/48/916883548.db2.gz	UDHNJIKZFZYZOV-QMMMGPOBSA-N	0	2	296.224	-0.673	20	30		CBEDLN
N#CCNC(=O)CN1CC(NC(=O)[C@H](F)C(F)(F)F)C1	ZINC001481561777	916883561	/nfs/dbraw/zinc/88/35/61/916883561.db2.gz	UDHNJIKZFZYZOV-QMMMGPOBSA-N	0	2	296.224	-0.673	20	30		CBEDLN
Cn1c(=O)[nH]c(NCCO[C@@H]2CC2(F)F)c(C#N)c1=O	ZINC001515889798	922245563	/nfs/dbraw/zinc/24/55/63/922245563.db2.gz	AAYXCVJKNBCFIM-SSDOTTSWSA-N	0	2	286.238	-0.219	20	30		CBEDLN
CC(=O)N(C)CC(=O)C(C#N)=C([O-])c1[nH+]ccn1C	ZINC001516727946	922250536	/nfs/dbraw/zinc/25/05/36/922250536.db2.gz	GSVWATLTEHDQRC-SECBINFHSA-N	0	2	262.269	-0.210	20	30		CBEDLN
C=CCC[C@@H](CO)NC(=O)C[C@@H]1SC(=N)NC1=O	ZINC001556585685	924069525	/nfs/dbraw/zinc/06/95/25/924069525.db2.gz	BPVSPVQVZWINEW-YUMQZZPRSA-N	0	2	271.342	-0.014	20	30		CBEDLN
Cn1c(=O)[nH]c(N[C@@H](CO)C2CCC2)c(C#N)c1=O	ZINC001559234980	924214053	/nfs/dbraw/zinc/21/40/53/924214053.db2.gz	SZMGWQJOBRLHDA-VIFPVBQESA-N	0	2	264.285	-0.482	20	30		CBEDLN
C[C@H]1CN(c2[nH]c(=O)n(C)c(=O)c2C#N)CC[C@H]1O	ZINC001559172550	924214278	/nfs/dbraw/zinc/21/42/78/924214278.db2.gz	HVGUUDXNONKOFE-IONNQARKSA-N	0	2	264.285	-0.848	20	30		CBEDLN
C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H]1C(=O)[O-]	ZINC000035303804	351387179	/nfs/dbraw/zinc/38/71/79/351387179.db2.gz	WCRGCWKOZVTNCO-QMMMGPOBSA-N	0	2	255.274	-0.453	20	30		CBEDLN
C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]1C(=O)[O-]	ZINC000035303804	351387182	/nfs/dbraw/zinc/38/71/82/351387182.db2.gz	WCRGCWKOZVTNCO-QMMMGPOBSA-N	0	2	255.274	-0.453	20	30		CBEDLN
Cn1nnc(NS(=O)(=O)c2cccc(C#N)c2)n1	ZINC000127347922	351863075	/nfs/dbraw/zinc/86/30/75/351863075.db2.gz	JIWHPQLRGVXFIK-UHFFFAOYSA-N	0	2	264.270	-0.117	20	30		CBEDLN
Cn1cccc(N=C([O-])N2C[C@H]3OCC[N@H+](C)[C@H]3C2)c1=O	ZINC000329801209	352795290	/nfs/dbraw/zinc/79/52/90/352795290.db2.gz	YRPHXPLRUMTNBW-NWDGAFQWSA-N	0	2	292.339	-0.054	20	30		CBEDLN
Cn1cccc(N=C([O-])N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)c1=O	ZINC000329801209	352795292	/nfs/dbraw/zinc/79/52/92/352795292.db2.gz	YRPHXPLRUMTNBW-NWDGAFQWSA-N	0	2	292.339	-0.054	20	30		CBEDLN
COC(=O)[C@H]1CC[C@H](C(=O)Nc2nc(C#N)c(C#N)[nH]2)O1	ZINC000352609276	353495679	/nfs/dbraw/zinc/49/56/79/353495679.db2.gz	GDORCFONKVZZKU-RKDXNWHRSA-N	0	2	289.251	-0.188	20	30		CBEDLN
C=CCCCS(=O)(=O)Nc1ncn(CC(=O)NC)n1	ZINC000427796544	354245004	/nfs/dbraw/zinc/24/50/04/354245004.db2.gz	IOCAPEFWZHXBJB-UHFFFAOYSA-N	0	2	287.345	-0.268	20	30		CBEDLN
C=CCn1cc(CNS(=O)(=O)NCC(F)(F)F)nn1	ZINC000425176858	354237342	/nfs/dbraw/zinc/23/73/42/354237342.db2.gz	CPUNFCNEEBQRLO-UHFFFAOYSA-N	0	2	299.278	-0.050	20	30		CBEDLN
C=CCN1CC[C@H]([N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C1=O	ZINC000519426531	354561844	/nfs/dbraw/zinc/56/18/44/354561844.db2.gz	LJKXCRJPULGDOF-UTUOFQBUSA-N	0	2	278.356	-0.983	20	30		CBEDLN
Cn1cc(C#N)c(NS(=O)(=O)N2CCCOCC2)n1	ZINC000593205940	355197280	/nfs/dbraw/zinc/19/72/80/355197280.db2.gz	CSEFHTIRWNDJCN-UHFFFAOYSA-N	0	2	285.329	-0.329	20	30		CBEDLN
C=C[C@@H](O)C(=O)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1	ZINC000614518684	355967913	/nfs/dbraw/zinc/96/79/13/355967913.db2.gz	KGVPKCTXRAGXQR-HTQZYQBOSA-N	0	2	252.274	-0.237	20	30		CBEDLN
COC(=O)N[C@@H](C)C(=O)Nc1nc(C#N)c(C#N)[nH]1	ZINC000494167512	291203731	/nfs/dbraw/zinc/20/37/31/291203731.db2.gz	RSGYFHIYDSMXDI-YFKPBYRVSA-N	0	2	262.229	-0.164	20	30		CBEDLN
Cc1cc(C(=O)N[C@@H](C)C#N)[nH]c2nc(=O)[nH]c(=O)c1-2	ZINC000174322737	220220194	/nfs/dbraw/zinc/22/01/94/220220194.db2.gz	MXYANTQYQCTPMS-LURJTMIESA-N	0	2	273.252	-0.026	20	30		CBEDLN
C#CCONC(=O)CNC(=O)/C=C\c1cccnc1	ZINC000493754109	373728960	/nfs/dbraw/zinc/72/89/60/373728960.db2.gz	MVYFIKZTLDLAKP-WAYWQWQTSA-N	0	2	259.265	-0.108	20	30		CBEDLN
COC(C)(C)C(=O)Cn1c(=O)[nH]cc(C#N)c1=O	ZINC000647140435	374889896	/nfs/dbraw/zinc/88/98/96/374889896.db2.gz	JVSWHPLTMICZMH-UHFFFAOYSA-N	0	2	251.242	-0.598	20	30		CBEDLN
CC(C)c1nnc(Cn2c(=O)[nH]cc(C#N)c2=O)o1	ZINC000574756180	335045136	/nfs/dbraw/zinc/04/51/36/335045136.db2.gz	OYCOPOGPEPEVFF-UHFFFAOYSA-N	0	2	261.241	-0.037	20	30		CBEDLN
C#CCNC(=O)C[N@H+]1CCCN(C(=O)N(C)CC)CC1	ZINC000286788553	220298753	/nfs/dbraw/zinc/29/87/53/220298753.db2.gz	GSKZKBAIAYJOQD-UHFFFAOYSA-N	0	2	280.372	-0.185	20	30		CBEDLN
N#Cc1ccc(S(=O)(=O)Nc2nc3ncccn3n2)o1	ZINC000342442997	419748420	/nfs/dbraw/zinc/74/84/20/419748420.db2.gz	FXGHKWOQONJVRK-UHFFFAOYSA-N	0	2	290.264	0.390	20	30		CBEDLN
C=C(C)CN(CC)C(=O)Cn1c(=O)[nH]cc(C#N)c1=O	ZINC000569221577	334861959	/nfs/dbraw/zinc/86/19/59/334861959.db2.gz	FFMVHESNOOVBHM-UHFFFAOYSA-N	0	2	276.296	-0.167	20	30		CBEDLN
Cn1nc(C2CC2)nc1Cn1c(=O)[nH]cc(C#N)c1=O	ZINC000581072419	336004294	/nfs/dbraw/zinc/00/42/94/336004294.db2.gz	ZVGQHPUXVLMPRC-UHFFFAOYSA-N	0	2	272.268	-0.538	20	30		CBEDLN
C#CCN(CC#CC)C(=O)Cn1[nH]cc2c(=O)ncnc1-2	ZINC000742003963	582271295	/nfs/dbraw/zinc/27/12/95/582271295.db2.gz	KNGWQNSKMPJVHP-UHFFFAOYSA-N	0	2	283.291	-0.444	20	30		CBEDLN
COC(=O)CN(CC#N)C(=O)C[C@@H]1SC(=N)NC1=O	ZINC000742692857	582274933	/nfs/dbraw/zinc/27/49/33/582274933.db2.gz	KBLFIVVEWRSFSM-LURJTMIESA-N	0	2	284.297	-0.932	20	30		CBEDLN
C#CCCCNC(=O)Cn1[nH]cc2c(=O)ncnc1-2	ZINC000742788517	582275568	/nfs/dbraw/zinc/27/55/68/582275568.db2.gz	SOBBWRHVNFWVDD-UHFFFAOYSA-N	0	2	259.269	-0.399	20	30		CBEDLN
N#CCN1CCN(C(=O)C[C@H]2SC(=N)NC2=O)CC1	ZINC000744553812	582279974	/nfs/dbraw/zinc/27/99/74/582279974.db2.gz	SARXFGFGOVFDGX-MRVPVSSYSA-N	0	2	281.341	-0.789	20	30		CBEDLN
CCN(CCC#N)C(=O)Cn1[nH]cc2c(=O)ncnc1-2	ZINC000752816258	582295788	/nfs/dbraw/zinc/29/57/88/582295788.db2.gz	RHKGRUILZZQGSP-UHFFFAOYSA-N	0	2	274.284	-0.167	20	30		CBEDLN
C#CCOCCC(=O)NS(=O)(=O)c1cnn(C)c1	ZINC000756520390	582303858	/nfs/dbraw/zinc/30/38/58/582303858.db2.gz	ZBQLMDIGPJYFIF-UHFFFAOYSA-N	0	2	271.298	-0.735	20	30		CBEDLN
C=CCCOCCNC(=O)Cn1[nH]cc2c(=O)ncnc1-2	ZINC000757231336	582305361	/nfs/dbraw/zinc/30/53/61/582305361.db2.gz	MRABBXHXXBAWJU-UHFFFAOYSA-N	0	2	291.311	-0.220	20	30		CBEDLN
C#CCCCCNC(=O)Cn1[nH]cc2c(=O)ncnc1-2	ZINC000758630434	582308640	/nfs/dbraw/zinc/30/86/40/582308640.db2.gz	BNHUZKAQHCQJGG-UHFFFAOYSA-N	0	2	273.296	-0.009	20	30		CBEDLN
CN1CCC(=N[N-]c2nc(N3CCOCC3)cc[nH+]2)C1=O	ZINC000761810145	582316233	/nfs/dbraw/zinc/31/62/33/582316233.db2.gz	MJQCGFUTKAEVQZ-UHFFFAOYSA-N	0	2	290.327	-0.057	20	30		CBEDLN
C=C(C)COCCNC(=O)Cn1[nH]cc2c(=O)ncnc1-2	ZINC000762403117	582317406	/nfs/dbraw/zinc/31/74/06/582317406.db2.gz	UJDQQKKFFLQAKL-UHFFFAOYSA-N	0	2	291.311	-0.220	20	30		CBEDLN
Cc1cc([C@@H](C#N)C(=O)Cn2ncn(C)c2=O)nc(C)n1	ZINC000765587034	582328027	/nfs/dbraw/zinc/32/80/27/582328027.db2.gz	KOBDHDRCIUYZHC-SNVBAGLBSA-N	0	2	286.295	-0.135	20	30		CBEDLN
Cc1cc(C(C#N)C(=O)Cn2ncn(C)c2=O)nc(C)n1	ZINC000765587034	582328028	/nfs/dbraw/zinc/32/80/28/582328028.db2.gz	KOBDHDRCIUYZHC-SNVBAGLBSA-N	0	2	286.295	-0.135	20	30		CBEDLN
CC(=NNC1=NC(=O)C(=O)N1)c1ccc(O)c([N+](=O)[O-])c1	ZINC000765584970	582328112	/nfs/dbraw/zinc/32/81/12/582328112.db2.gz	UVANMTYVZCLDHP-UHFFFAOYSA-N	0	2	291.223	-0.374	20	30		CBEDLN
C=CC[C@H](CO)CNC(=O)Cn1[nH]cc2c(=O)ncnc1-2	ZINC000775563684	582352892	/nfs/dbraw/zinc/35/28/92/582352892.db2.gz	GZLAWFHXOUIHDO-VIFPVBQESA-N	0	2	291.311	-0.628	20	30		CBEDLN
CC(=O)N1CC(C(=O)C(C#N)=C([O-])c2[nH+]ccn2C)C1	ZINC000788367538	582385643	/nfs/dbraw/zinc/38/56/43/582385643.db2.gz	NGTQPSWWQOFLAH-JTQLQIEISA-N	0	2	274.280	-0.210	20	30		CBEDLN
Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)CN1CCOCC1=O	ZINC000790783676	582391715	/nfs/dbraw/zinc/39/17/15/582391715.db2.gz	CKXYJMBTOZDLEX-SECBINFHSA-N	0	2	290.279	-0.830	20	30		CBEDLN
CC[C@H](N[NH+]=Cc1c(N)ncnc1OC)C(=O)[O-]	ZINC000793077784	582396949	/nfs/dbraw/zinc/39/69/49/582396949.db2.gz	IMMJETBQVZGESP-ZETCQYMHSA-N	0	2	253.262	-0.146	20	30		CBEDLN
N#CC1(CNC(=O)C[C@@H]2SC(=N)NC2=O)CC1	ZINC000797780761	582413881	/nfs/dbraw/zinc/41/38/81/582413881.db2.gz	SXZSCOKPARBYKH-LURJTMIESA-N	0	2	252.299	-0.037	20	30		CBEDLN
C#CCNC(=O)CN1CCC[C@H](c2n[nH]c(=O)[nH]2)C1	ZINC000808776847	582444587	/nfs/dbraw/zinc/44/45/87/582444587.db2.gz	DEPHFGZTAXKHJS-VIFPVBQESA-N	0	2	263.301	-0.561	20	30		CBEDLN
C#CCONC(=O)CNC(=O)COc1ccccc1	ZINC000812785408	582452889	/nfs/dbraw/zinc/45/28/89/582452889.db2.gz	OWYWYEJLXLNLTJ-UHFFFAOYSA-N	0	2	262.265	-0.137	20	30		CBEDLN
O=C1NC(=O)C(=NNC(=S)Nc2ccccc2)C(=O)N1	ZINC000814213503	582456028	/nfs/dbraw/zinc/45/60/28/582456028.db2.gz	BYNGXZMQRNHWCJ-UHFFFAOYSA-N	0	2	291.292	-0.305	20	30		CBEDLN
O=C1NC(=O)C(=NN[C@@H](CO)c2ccccc2)C(=O)N1	ZINC000814230331	582456144	/nfs/dbraw/zinc/45/61/44/582456144.db2.gz	NBBTZANNFYOICW-QMMMGPOBSA-N	0	2	276.252	-0.968	20	30		CBEDLN
CN(C)c1ccccc1CNN=C1C(=O)NC(=O)NC1=O	ZINC000814230055	582456223	/nfs/dbraw/zinc/45/62/23/582456223.db2.gz	WKELUOWOMDXFRQ-UHFFFAOYSA-N	0	2	289.295	-0.436	20	30		CBEDLN
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C=CC[C@H](CO)CNc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001307084602	816795008	/nfs/dbraw/zinc/79/50/08/816795008.db2.gz	UFZHJFXMHSTJSJ-QMMMGPOBSA-N	0	2	264.285	-0.458	20	30		CBEDLN
Cn1c(=O)[nH]c(NCCCO[C@H]2CCOC2)c(C#N)c1=O	ZINC001306998532	816795491	/nfs/dbraw/zinc/79/54/91/816795491.db2.gz	AXOQMDKTWCPRBD-VIFPVBQESA-N	0	2	294.311	-0.447	20	30		CBEDLN
CC[C@H]1CN(c2[nH]c(=O)n(C)c(=O)c2C#N)C[C@H]1O	ZINC001307087957	816795831	/nfs/dbraw/zinc/79/58/31/816795831.db2.gz	ZDZLJZMUEGGLSI-IONNQARKSA-N	0	2	264.285	-0.848	20	30		CBEDLN
CC(C)[C@@H](CO)CNc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001307112786	816796664	/nfs/dbraw/zinc/79/66/64/816796664.db2.gz	WLMXAADEVNOSKR-MRVPVSSYSA-N	0	2	266.301	-0.378	20	30		CBEDLN
Cn1nc(Cn2c(=O)[nH]cc(C#N)c2=O)cc1Cl	ZINC001307359681	816800360	/nfs/dbraw/zinc/80/03/60/816800360.db2.gz	OIFOFDZIJVNTME-UHFFFAOYSA-N	0	2	265.660	-0.157	20	30		CBEDLN
CN(CC#N)CCNC(=O)c1cn[nH]c1-c1cnn(C)c1	ZINC001317465194	816987991	/nfs/dbraw/zinc/98/79/91/816987991.db2.gz	JYMCSDKXYVPOEB-UHFFFAOYSA-N	0	2	287.327	-0.005	20	30		CBEDLN
C=C[C@](C)(O)CC(=O)NCC[N@@H+](CC)Cc1n[nH]c(=O)[n-]1	ZINC001317475587	816991236	/nfs/dbraw/zinc/99/12/36/816991236.db2.gz	YUICTUJLYOFEKF-ZDUSSCGKSA-N	0	2	297.359	-0.225	20	30		CBEDLN
C=C[C@](C)(O)CC(=O)NCC[N@H+](CC)Cc1n[nH]c(=O)[n-]1	ZINC001317475587	816991238	/nfs/dbraw/zinc/99/12/38/816991238.db2.gz	YUICTUJLYOFEKF-ZDUSSCGKSA-N	0	2	297.359	-0.225	20	30		CBEDLN
C=C[C@@](C)(O)CC(=O)NCC[N@@H+](CC)Cc1n[nH]c(=O)[n-]1	ZINC001317475586	816991636	/nfs/dbraw/zinc/99/16/36/816991636.db2.gz	YUICTUJLYOFEKF-CYBMUJFWSA-N	0	2	297.359	-0.225	20	30		CBEDLN
C=C[C@@](C)(O)CC(=O)NCC[N@H+](CC)Cc1n[nH]c(=O)[n-]1	ZINC001317475586	816991640	/nfs/dbraw/zinc/99/16/40/816991640.db2.gz	YUICTUJLYOFEKF-CYBMUJFWSA-N	0	2	297.359	-0.225	20	30		CBEDLN
N#CCN(CC#N)C(=O)C[C@@H]1SC(=N)NC1=O	ZINC001318794764	817142021	/nfs/dbraw/zinc/14/20/21/817142021.db2.gz	DHPWJDRNLULFIX-LURJTMIESA-N	0	2	251.271	-0.581	20	30		CBEDLN
CC(C)(C#N)NC(=O)Cn1[nH]cc2c(=O)ncnc1-2	ZINC001319516037	817212686	/nfs/dbraw/zinc/21/26/86/817212686.db2.gz	RWTFNCOHGOIKON-UHFFFAOYSA-N	0	2	260.257	-0.510	20	30		CBEDLN
N#CCNC[C@@H](O)CNC(=O)C(F)C(F)(F)F	ZINC001320230499	817299600	/nfs/dbraw/zinc/29/96/00/817299600.db2.gz	JXIRGEZTMWIROP-RITPCOANSA-N	0	2	257.187	-0.523	20	30		CBEDLN
N#CCNC[C@@H](O)CNC(=O)[C@H](F)C(F)(F)F	ZINC001320230499	817299608	/nfs/dbraw/zinc/29/96/08/817299608.db2.gz	JXIRGEZTMWIROP-RITPCOANSA-N	0	2	257.187	-0.523	20	30		CBEDLN
Cn1cc(C(=O)Cn2c(=O)[nH]cc(C#N)c2=O)cn1	ZINC001189573475	823767597	/nfs/dbraw/zinc/76/75/97/823767597.db2.gz	ADXCBYAGSUNNJZ-UHFFFAOYSA-N	0	2	259.225	-0.975	20	30		CBEDLN
Cn1c(=O)[nH]c(N[C@@H](CO)CC2CC2)c(C#N)c1=O	ZINC001186335162	821178439	/nfs/dbraw/zinc/17/84/39/821178439.db2.gz	JQKXQPDAGOOICI-MRVPVSSYSA-N	0	2	264.285	-0.482	20	30		CBEDLN
N#C[C@@H]1CN(S(=O)(=O)c2c[nH]cn2)CCC1=O	ZINC001187748697	822290100	/nfs/dbraw/zinc/29/01/00/822290100.db2.gz	DPBVLXHTTNEYFD-SSDOTTSWSA-N	0	2	254.271	-0.487	20	30		CBEDLN
N#C[C@H]1CN(S(=O)(=O)c2c[nH]cn2)CCC1=O	ZINC001187748700	822290476	/nfs/dbraw/zinc/29/04/76/822290476.db2.gz	DPBVLXHTTNEYFD-ZETCQYMHSA-N	0	2	254.271	-0.487	20	30		CBEDLN
COc1ccc(C(=NS(=O)(=O)c2ncc[nH]2)NO)nc1	ZINC001190747638	823845486	/nfs/dbraw/zinc/84/54/86/823845486.db2.gz	CLTWRYWWLVIKIS-UHFFFAOYSA-N	0	2	297.296	-0.072	20	30		CBEDLN
CCOC(=O)[C@@H](NS(=O)(=O)[C@@H](C)C#N)c1cnccn1	ZINC001193182793	824012590	/nfs/dbraw/zinc/01/25/90/824012590.db2.gz	RKENKHPKYLHVIV-WPRPVWTQSA-N	0	2	298.324	-0.088	20	30		CBEDLN
C#CCCOC(=O)NCc1nnc(CS(C)(=O)=O)[nH]1	ZINC001195370593	824114366	/nfs/dbraw/zinc/11/43/66/824114366.db2.gz	GUFADINBCUVIAS-UHFFFAOYSA-N	0	2	286.313	-0.401	20	30		CBEDLN
N#C[C@H](NS(=O)(=O)Cc1c(F)cccc1F)C(N)=O	ZINC001197623259	824197438	/nfs/dbraw/zinc/19/74/38/824197438.db2.gz	YTAXCLITSIBFMG-VIFPVBQESA-N	0	2	289.263	-0.238	20	30		CBEDLN
N#CCN1C[C@@H](NC(=O)C(F)C(F)(F)F)[C@@H](O)C1	ZINC001219665343	824875933	/nfs/dbraw/zinc/87/59/33/824875933.db2.gz	HMEZXAJCQNLAOX-VQVTYTSYSA-N	0	2	269.198	-0.428	20	30		CBEDLN
N#CCN1C[C@@H](NC(=O)[C@H](F)C(F)(F)F)[C@@H](O)C1	ZINC001219665343	824875941	/nfs/dbraw/zinc/87/59/41/824875941.db2.gz	HMEZXAJCQNLAOX-VQVTYTSYSA-N	0	2	269.198	-0.428	20	30		CBEDLN
N#CCN1C[C@@H](NC(=O)C(=O)Nc2ccccc2)[C@@H](O)C1	ZINC001219944058	824918486	/nfs/dbraw/zinc/91/84/86/824918486.db2.gz	LZKCVEXXOLBPNV-NEPJUHHUSA-N	0	2	288.307	-0.690	20	30		CBEDLN
CC#CCO[C@@H](C[NH+]1CCOCC1)CS(=O)(=O)[O-]	ZINC001224357090	825238370	/nfs/dbraw/zinc/23/83/70/825238370.db2.gz	JRWIJICTMLDPSX-NSHDSACASA-N	0	2	277.342	-0.385	20	30		CBEDLN
O=C1C=C[C@H](Oc2[nH]c(=O)nc3c(=O)[nH]c(=O)[nH]c32)C1	ZINC001226887114	825292088	/nfs/dbraw/zinc/29/20/88/825292088.db2.gz	ZINKSPPEPMAVEN-YFKPBYRVSA-N	0	2	276.208	-0.187	20	30		CBEDLN
C=CCOCC(=O)N(C)C[C@H]1CCN1Cc1n[nH]c(=O)[nH]1	ZINC001231234478	825400189	/nfs/dbraw/zinc/40/01/89/825400189.db2.gz	UASXFFYAWWSDDY-SNVBAGLBSA-N	0	2	295.343	-0.254	20	30		CBEDLN
COC(=O)[C@H](O)C[N@@H+]1CC[C@@H]2SC(=O)C=C2C1	ZINC001252415365	825843933	/nfs/dbraw/zinc/84/39/33/825843933.db2.gz	OUFKYPRPDMCSMO-BDAKNGLRSA-N	0	2	257.311	-0.206	20	30		CBEDLN
CCOC(=O)[C@@H](C#N)NS(=O)(=O)c1cccnc1	ZINC001259610849	826098491	/nfs/dbraw/zinc/09/84/91/826098491.db2.gz	CHKHPDPUQBIDSE-SECBINFHSA-N	0	2	269.282	-0.185	20	30		CBEDLN
CCOC(=O)[C@H](C#N)NS(=O)(=O)c1cnn(CC)c1	ZINC001259841919	826102905	/nfs/dbraw/zinc/10/29/05/826102905.db2.gz	OWLTYECCNRGWOP-VIFPVBQESA-N	0	2	286.313	-0.363	20	30		CBEDLN
CCOC(=O)C(C#N)NS(=O)(=O)c1ccn(C)n1	ZINC001259947091	826111247	/nfs/dbraw/zinc/11/12/47/826111247.db2.gz	WVFYYGRBMZJDML-SSDOTTSWSA-N	0	2	272.286	-0.846	20	30		CBEDLN
CCOC(=O)[C@@H](C#N)NS(=O)(=O)c1ccn(C)n1	ZINC001259947091	826111254	/nfs/dbraw/zinc/11/12/54/826111254.db2.gz	WVFYYGRBMZJDML-SSDOTTSWSA-N	0	2	272.286	-0.846	20	30		CBEDLN
CN(C)C(=O)OCCn1c(=O)[nH]cc(C#N)c1=O	ZINC001261480436	826521437	/nfs/dbraw/zinc/52/14/37/826521437.db2.gz	PJLDJRZQIFYWGI-UHFFFAOYSA-N	0	2	252.230	-0.894	20	30		CBEDLN
Cn1c(=O)[nH]c(NCCOCCF)c(C#N)c1=O	ZINC001262703047	826725148	/nfs/dbraw/zinc/72/51/48/826725148.db2.gz	UFISPDNVBXCQFE-UHFFFAOYSA-N	0	2	256.237	-0.657	20	30		CBEDLN
CC(C)C#CC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[nH]2)C1	ZINC001267723137	827207053	/nfs/dbraw/zinc/20/70/53/827207053.db2.gz	XHPBFSALVFOJRB-JTQLQIEISA-N	0	2	277.328	-0.140	20	30		CBEDLN
C[C@@H](C[N@H+](C)Cc1n[nH]c(=O)[n-]1)NC(=O)C#CC1CC1	ZINC001268730466	827414587	/nfs/dbraw/zinc/41/45/87/827414587.db2.gz	OWEPUTJYCBEQJT-VIFPVBQESA-N	0	2	277.328	-0.140	20	30		CBEDLN
C[C@@H](C[N@@H+](C)Cc1n[nH]c(=O)[n-]1)NC(=O)C#CC1CC1	ZINC001268730466	827414590	/nfs/dbraw/zinc/41/45/90/827414590.db2.gz	OWEPUTJYCBEQJT-VIFPVBQESA-N	0	2	277.328	-0.140	20	30		CBEDLN
N#CCN1CC(O)(CNC(=O)C(F)C(F)(F)F)C1	ZINC001271289470	827688411	/nfs/dbraw/zinc/68/84/11/827688411.db2.gz	OFKLCMKVSHOMHM-ZCFIWIBFSA-N	0	2	269.198	-0.427	20	30		CBEDLN
N#CCN1CC(O)(CNC(=O)[C@@H](F)C(F)(F)F)C1	ZINC001271289470	827688416	/nfs/dbraw/zinc/68/84/16/827688416.db2.gz	OFKLCMKVSHOMHM-ZCFIWIBFSA-N	0	2	269.198	-0.427	20	30		CBEDLN
C=C[C@@](C)(O)CC(=O)NC[C@@H](C)[N@H+](C)Cc1n[nH]c(=O)[n-]1	ZINC001275818840	828116945	/nfs/dbraw/zinc/11/69/45/828116945.db2.gz	KZRYDHOVVMVWCL-NOZJJQNGSA-N	0	2	297.359	-0.226	20	30		CBEDLN
C=C[C@@](C)(O)CC(=O)NC[C@@H](C)[N@@H+](C)Cc1n[nH]c(=O)[n-]1	ZINC001275818840	828116949	/nfs/dbraw/zinc/11/69/49/828116949.db2.gz	KZRYDHOVVMVWCL-NOZJJQNGSA-N	0	2	297.359	-0.226	20	30		CBEDLN
C[C@@H]1CCN(c2[nH]c(=O)n(C)c(=O)c2C#N)CCO1	ZINC001348322445	890597332	/nfs/dbraw/zinc/59/73/32/890597332.db2.gz	AJTWIVAIZQYLQW-MRVPVSSYSA-N	0	2	264.285	-0.440	20	30		CBEDLN
CNC(=O)C[C@H]1S/C(=N/CC(F)F)NC1=O	ZINC001331232173	886741373	/nfs/dbraw/zinc/74/13/73/886741373.db2.gz	APWYVUHTHFTGIB-SCSAIBSYSA-N	0	2	251.258	-0.025	20	30		CBEDLN
CO[C@H]1C[C@H](Nc2[nH]c(=O)n(C)c(=O)c2C#N)C1	ZINC001338064406	889111888	/nfs/dbraw/zinc/11/18/88/889111888.db2.gz	PMGXBHNYJSFDBU-LJGSYFOKSA-N	0	2	250.258	-0.465	20	30		CBEDLN
C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CCc1c[nH]c[nH+]1	ZINC001128972978	884668890	/nfs/dbraw/zinc/66/88/90/884668890.db2.gz	PVRFTUFNPPYXCB-LLVKDONJSA-N	0	2	291.355	-0.814	20	30		CBEDLN
Cc1cc(C#N)cnc1C(=O)NN1CC(=O)N(C)C1=O	ZINC001327851381	885499093	/nfs/dbraw/zinc/49/90/93/885499093.db2.gz	OHXKEQRZGFQYMB-UHFFFAOYSA-N	0	2	273.252	-0.200	20	30		CBEDLN
COC[C@@](C)(C#N)NC(=O)C[C@@H]1SC(=N)NC1=O	ZINC001334174958	887885682	/nfs/dbraw/zinc/88/56/82/887885682.db2.gz	SHFYKDXLSDHLGS-QUBYGPBYSA-N	0	2	270.314	-0.412	20	30		CBEDLN
C#CC[C@@H](COC)Nc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001336702042	888848421	/nfs/dbraw/zinc/84/84/21/888848421.db2.gz	CSCCEKPRFLKUKA-QMMMGPOBSA-N	0	2	262.269	-0.605	20	30		CBEDLN
CO[C@@H]1CCCN(c2[nH]c(=O)n(C)c(=O)c2C#N)C1	ZINC001337027538	888950236	/nfs/dbraw/zinc/95/02/36/888950236.db2.gz	SMHRKRYRMCSLIG-MRVPVSSYSA-N	0	2	264.285	-0.440	20	30		CBEDLN
CCO[C@H]1CCN(c2[nH]c(=O)n(C)c(=O)c2C#N)C1	ZINC001337278044	888987945	/nfs/dbraw/zinc/98/79/45/888987945.db2.gz	FMQMXQKEOMGAHM-QMMMGPOBSA-N	0	2	264.285	-0.440	20	30		CBEDLN
C[C@H]1COCCN1c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001337895463	889094326	/nfs/dbraw/zinc/09/43/26/889094326.db2.gz	QCFBPJOYOLTQIT-ZETCQYMHSA-N	0	2	250.258	-0.830	20	30		CBEDLN
COCCCCN(C)c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001338027154	889107692	/nfs/dbraw/zinc/10/76/92/889107692.db2.gz	POTVYWQIVRLALG-UHFFFAOYSA-N	0	2	266.301	-0.192	20	30		CBEDLN
COC(=O)NCC(=O)C(C#N)=C([O-])c1[nH+]ccn1C	ZINC001342638604	889806336	/nfs/dbraw/zinc/80/63/36/889806336.db2.gz	DNCQVKJDCNKMGH-SSDOTTSWSA-N	0	2	264.241	-0.332	20	30		CBEDLN
C#CCOCCN(C)C(=O)C[C@@H]1SC(=N)NC1=O	ZINC001347673410	890495906	/nfs/dbraw/zinc/49/59/06/890495906.db2.gz	IYLBQAKUIRTOAY-QMMMGPOBSA-N	0	2	269.326	-0.349	20	30		CBEDLN
Cn1c(=O)[nH]c(N2CCCSCC2)c(C#N)c1=O	ZINC001347919518	890536448	/nfs/dbraw/zinc/53/64/48/890536448.db2.gz	WZBCAZGJQMAGMI-UHFFFAOYSA-N	0	2	266.326	-0.111	20	30		CBEDLN
COC1(C)CN(c2[nH]c(=O)n(C)c(=O)c2C#N)C1	ZINC001348064016	890557088	/nfs/dbraw/zinc/55/70/88/890557088.db2.gz	VXWWJECGTPDZTB-UHFFFAOYSA-N	0	2	250.258	-0.830	20	30		CBEDLN
C[C@H]1COC[C@H]1Nc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001354267370	891551003	/nfs/dbraw/zinc/55/10/03/891551003.db2.gz	IZZLHMWNYYSMJU-POYBYMJQSA-N	0	2	250.258	-0.608	20	30		CBEDLN
C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC001362613031	892841552	/nfs/dbraw/zinc/84/15/52/892841552.db2.gz	NAAGBVGYPPHGEE-MADCSZMMSA-N	0	2	274.284	-0.453	20	30		CBEDLN
C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC001362613031	892841564	/nfs/dbraw/zinc/84/15/64/892841564.db2.gz	NAAGBVGYPPHGEE-MADCSZMMSA-N	0	2	274.284	-0.453	20	30		CBEDLN
Cn1c(=O)[nH]c(N2CCC(CCO)CC2)c(C#N)c1=O	ZINC001363155697	893414548	/nfs/dbraw/zinc/41/45/48/893414548.db2.gz	ZECPOWDDHOVLBJ-UHFFFAOYSA-N	0	2	278.312	-0.456	20	30		CBEDLN
Cn1c(=O)[nH]c(N2CCC[C@](C)(O)CC2)c(C#N)c1=O	ZINC001363155704	893414791	/nfs/dbraw/zinc/41/47/91/893414791.db2.gz	JZKIBCOMXNSVNE-ZDUSSCGKSA-N	0	2	278.312	-0.313	20	30		CBEDLN
C[N@H+](Cc1cc(=O)n2[n-]cc(C#N)c2n1)[C@@H]1CCNC1=O	ZINC001363213994	893466131	/nfs/dbraw/zinc/46/61/31/893466131.db2.gz	ZQTOKSSBOOAAFR-SNVBAGLBSA-N	0	2	286.295	-0.373	20	30		CBEDLN
C[N@@H+](Cc1cc(=O)n2[n-]cc(C#N)c2n1)[C@@H]1CCNC1=O	ZINC001363213994	893466137	/nfs/dbraw/zinc/46/61/37/893466137.db2.gz	ZQTOKSSBOOAAFR-SNVBAGLBSA-N	0	2	286.295	-0.373	20	30		CBEDLN
CSC[C@@H](CCO)Nc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001363733465	893950041	/nfs/dbraw/zinc/95/00/41/893950041.db2.gz	KJORKTLYTXHUQS-SSDOTTSWSA-N	0	2	284.341	-0.529	20	30		CBEDLN
CSC[C@H](CCO)Nc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001363733469	893951976	/nfs/dbraw/zinc/95/19/76/893951976.db2.gz	KJORKTLYTXHUQS-ZETCQYMHSA-N	0	2	284.341	-0.529	20	30		CBEDLN
C[C@H](CNc1[nH]c(=O)n(C)c(=O)c1C#N)Cn1cccn1	ZINC001364130525	894208597	/nfs/dbraw/zinc/20/85/97/894208597.db2.gz	LZALTUGQZDLXGJ-SECBINFHSA-N	0	2	288.311	-0.110	20	30		CBEDLN
C[C@H](CO[C@H]1CCOC1)Nc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001364168366	894225831	/nfs/dbraw/zinc/22/58/31/894225831.db2.gz	GGOWZLLOSHATHF-BDAKNGLRSA-N	0	2	294.311	-0.449	20	30		CBEDLN
C[C@@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)c1ncnn1C	ZINC001364171275	894229462	/nfs/dbraw/zinc/22/94/62/894229462.db2.gz	KYSORHHDTRLKGM-ZCFIWIBFSA-N	0	2	275.272	-0.753	20	30		CBEDLN
COC(=O)C[C@@H]1CCCN1c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001364171370	894231299	/nfs/dbraw/zinc/23/12/99/894231299.db2.gz	MMQUPZYPQGIOBO-QMMMGPOBSA-N	0	2	292.295	-0.523	20	30		CBEDLN
C[C@H](CNc1[nH]c(=O)n(C)c(=O)c1C#N)c1nncn1C	ZINC001364182782	894235446	/nfs/dbraw/zinc/23/54/46/894235446.db2.gz	KVFNZGJGDKTUBH-SSDOTTSWSA-N	0	2	289.299	-0.711	20	30		CBEDLN
C[C@H]1[C@@H](CO)CCCN1c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001364193478	894239590	/nfs/dbraw/zinc/23/95/90/894239590.db2.gz	WHZMHZAPDRJESJ-DTWKUNHWSA-N	0	2	278.312	-0.458	20	30		CBEDLN
Cn1c(=O)[nH]c(N[C@@H](CO)c2cccnc2)c(C#N)c1=O	ZINC001364195590	894246261	/nfs/dbraw/zinc/24/62/61/894246261.db2.gz	BIXVIHLBKPMESD-JTQLQIEISA-N	0	2	287.279	-0.514	20	30		CBEDLN
CCOC[C@H]1CN(c2[nH]c(=O)n(C)c(=O)c2C#N)CCO1	ZINC001364232821	894274625	/nfs/dbraw/zinc/27/46/25/894274625.db2.gz	REDRVLZAGLLPET-SECBINFHSA-N	0	2	294.311	-0.813	20	30		CBEDLN
CC[C@@H](C)NC(=O)[C@H](C)Nc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001364539506	894484420	/nfs/dbraw/zinc/48/44/20/894484420.db2.gz	WLUCCNQYPCIRIY-SFYZADRCSA-N	0	2	293.327	-0.340	20	30		CBEDLN
CN(C[C@H]1CCCC[C@H]1O)c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001364559774	894493080	/nfs/dbraw/zinc/49/30/80/894493080.db2.gz	XQUXEIJKSUVATD-MWLCHTKSSA-N	0	2	292.339	-0.067	20	30		CBEDLN
CCn1nc(C)c(CNc2[nH]c(=O)n(C)c(=O)c2C#N)n1	ZINC001364558398	894494741	/nfs/dbraw/zinc/49/47/41/894494741.db2.gz	BUXKDOWAYJUAQM-UHFFFAOYSA-N	0	2	289.299	-0.523	20	30		CBEDLN
CS(=O)(=O)Cc1nnc(CNc2ccnc(C#N)n2)[nH]1	ZINC001364587361	894507135	/nfs/dbraw/zinc/50/71/35/894507135.db2.gz	KEFRWXKXGDGXEI-UHFFFAOYSA-N	0	2	293.312	-0.955	20	30		CBEDLN
Cn1c(=O)[nH]c(NC[C@@]2(O)CCSC2)c(C#N)c1=O	ZINC001365218399	894828091	/nfs/dbraw/zinc/82/80/91/894828091.db2.gz	VVOVPXDLYWQXGC-NSHDSACASA-N	0	2	282.325	-0.775	20	30		CBEDLN
Cc1nnc(CN(C)c2[nH]c(=O)n(C)c(=O)c2C#N)o1	ZINC001365230691	894833225	/nfs/dbraw/zinc/83/32/25/894833225.db2.gz	WUPWLQLZCNYKRJ-UHFFFAOYSA-N	0	2	276.256	-0.727	20	30		CBEDLN
COC(=O)N(C)CCN(C)c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001365235650	894837035	/nfs/dbraw/zinc/83/70/35/894837035.db2.gz	BUSNGDSAUADYNB-UHFFFAOYSA-N	0	2	295.299	-0.920	20	30		CBEDLN
CS(=O)(=O)Cc1nnc(CNc2ccc(C#N)nn2)[nH]1	ZINC001365235381	894838172	/nfs/dbraw/zinc/83/81/72/894838172.db2.gz	DGKVHICNZSDIIB-UHFFFAOYSA-N	0	2	293.312	-0.377	20	30		CBEDLN
Cn1c(=O)[nH]c(NCc2nnc(C3CC3)o2)c(C#N)c1=O	ZINC001458324898	914643293	/nfs/dbraw/zinc/64/32/93/914643293.db2.gz	CHQMFELWHCRCKP-UHFFFAOYSA-N	0	2	288.267	-0.182	20	30		CBEDLN
Cn1c(=O)[nH]c(NCC2([S@@](C)=O)CCC2)c(C#N)c1=O	ZINC001458346675	914643424	/nfs/dbraw/zinc/64/34/24/914643424.db2.gz	XTZITJHNTXRQDZ-HXUWFJFHSA-N	0	2	296.352	-0.342	20	30		CBEDLN
C[C@@H](CCCCO)Nc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001458402103	914649910	/nfs/dbraw/zinc/64/99/10/914649910.db2.gz	WMXLIBOAHROTEV-QMMMGPOBSA-N	0	2	266.301	-0.092	20	30		CBEDLN
CC[C@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)C(OC)OC	ZINC001458458112	914654208	/nfs/dbraw/zinc/65/42/08/914654208.db2.gz	SVCRFONTGITSBF-QMMMGPOBSA-N	0	2	282.300	-0.245	20	30		CBEDLN
N#Cc1c[nH]c(=O)n(CC(=O)c2nccs2)c1=O	ZINC001459138445	914703467	/nfs/dbraw/zinc/70/34/67/914703467.db2.gz	ROIYYDVVAAURGS-UHFFFAOYSA-N	0	2	262.250	-0.252	20	30		CBEDLN
N#CCCN1CCN(C(=O)C[C@H]2SC(=N)NC2=O)CC1	ZINC001412468113	904582919	/nfs/dbraw/zinc/58/29/19/904582919.db2.gz	KABALENXRJQHTR-SECBINFHSA-N	0	2	295.368	-0.399	20	30		CBEDLN
Cn1c(=O)[nH]c(N[C@@H]2CCn3ccnc32)c(C#N)c1=O	ZINC001412889987	904785535	/nfs/dbraw/zinc/78/55/35/904785535.db2.gz	AWULQEYHFKYOJY-MRVPVSSYSA-N	0	2	272.268	-0.301	20	30		CBEDLN
CN(C)C(=O)[C@@H]1CCCN1c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001412896800	904789171	/nfs/dbraw/zinc/78/91/71/904789171.db2.gz	CAACSPPPNOWZRJ-VIFPVBQESA-N	0	2	291.311	-0.998	20	30		CBEDLN
Cn1c(=O)[nH]c(NC[C@@]2(C)CCC(=O)N2)c(C#N)c1=O	ZINC001412904623	904792691	/nfs/dbraw/zinc/79/26/91/904792691.db2.gz	XNVWZAZZTDPRLH-GFCCVEGCSA-N	0	2	277.284	-0.974	20	30		CBEDLN
Cn1c(=O)[nH]c(N2CC[C@H](c3cnccn3)C2)c(C#N)c1=O	ZINC001412922682	904799463	/nfs/dbraw/zinc/79/94/63/904799463.db2.gz	MOWGGWRDPYJIDI-VIFPVBQESA-N	0	2	298.306	-0.271	20	30		CBEDLN
N#CCCN(CCC#N)Cc1cc(=O)n2[nH]c(N)nc2n1	ZINC001412969283	904834387	/nfs/dbraw/zinc/83/43/87/904834387.db2.gz	YAOBEVKWTWXHPI-UHFFFAOYSA-N	0	2	286.299	-0.371	20	30		CBEDLN
C[C@H](C#N)C(=O)NCc1nnc(CS(C)(=O)=O)[nH]1	ZINC001413673639	905167160	/nfs/dbraw/zinc/16/71/60/905167160.db2.gz	SQAWPQQSEWYKDV-ZCFIWIBFSA-N	0	2	271.302	-0.875	20	30		CBEDLN
CCNC(=O)C(C)(C)CNc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001413884239	905250175	/nfs/dbraw/zinc/25/01/75/905250175.db2.gz	PJKRGPUZMDNMEO-UHFFFAOYSA-N	0	2	293.327	-0.481	20	30		CBEDLN
CN(c1[nH]c(=O)n(C)c(=O)c1C#N)C1CCS(=O)CC1	ZINC001413878790	905252383	/nfs/dbraw/zinc/25/23/83/905252383.db2.gz	IURQDPYATYYVJG-UHFFFAOYSA-N	0	2	296.352	-0.707	20	30		CBEDLN
Cn1c(=O)[nH]c(NCC(C)(C)OCCO)c(C#N)c1=O	ZINC001413886724	905255313	/nfs/dbraw/zinc/25/53/13/905255313.db2.gz	AQJRSMLZCZSPOW-UHFFFAOYSA-N	0	2	282.300	-0.855	20	30		CBEDLN
Cn1c(=O)[nH]c(N2CC[C@H](O)C(F)(F)C2)c(C#N)c1=O	ZINC001413891380	905261775	/nfs/dbraw/zinc/26/17/75/905261775.db2.gz	IFZCDAUSNMEOPY-ZETCQYMHSA-N	0	2	286.238	-0.848	20	30		CBEDLN
C[C@H]1C[C@H](CO)CN(c2[nH]c(=O)n(C)c(=O)c2C#N)C1	ZINC001413892618	905262584	/nfs/dbraw/zinc/26/25/84/905262584.db2.gz	JTCQNKVIKQHXEQ-IUCAKERBSA-N	0	2	278.312	-0.600	20	30		CBEDLN
C[C@H]1CCN(c2[nH]c(=O)n(C)c(=O)c2C#N)C[C@@H]1CO	ZINC001413901048	905264690	/nfs/dbraw/zinc/26/46/90/905264690.db2.gz	PVFJLFHIYZORHO-DTWKUNHWSA-N	0	2	278.312	-0.600	20	30		CBEDLN
COC[C@@H](NC(=O)c1ccc(C#N)c(O)c1)c1nn[nH]n1	ZINC001419546354	906715675	/nfs/dbraw/zinc/71/56/75/906715675.db2.gz	APOZZQFEWWTDPV-SECBINFHSA-N	0	2	288.267	-0.106	20	30		CBEDLN
CS[C@@H](CO)[C@@H](C)Nc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001421077892	907418478	/nfs/dbraw/zinc/41/84/78/907418478.db2.gz	AMBUBSAKTZEKEG-SVRRBLITSA-N	0	2	284.341	-0.530	20	30		CBEDLN
Cn1c(=O)[nH]c(NC[C@@H]2CCCC[C@H]2O)c(C#N)c1=O	ZINC001421122354	907440053	/nfs/dbraw/zinc/44/00/53/907440053.db2.gz	HUHVBMPHKBPQRD-WCBMZHEXSA-N	0	2	278.312	-0.092	20	30		CBEDLN
Cn1c(=O)[nH]c(N2CCCc3n[nH]cc3C2)c(C#N)c1=O	ZINC001421206113	907464839	/nfs/dbraw/zinc/46/48/39/907464839.db2.gz	QONMZKXJKRFJRA-UHFFFAOYSA-N	0	2	286.295	-0.379	20	30		CBEDLN
Cn1c(=O)[nH]c(N[C@H](CCO)C(F)(F)F)c(C#N)c1=O	ZINC001421268077	907480603	/nfs/dbraw/zinc/48/06/03/907480603.db2.gz	CWIIUYQUDVWAOW-ZCFIWIBFSA-N	0	2	292.217	-0.330	20	30		CBEDLN
CC(=O)NC1CCN(c2[nH]c(=O)n(C)c(=O)c2C#N)CC1	ZINC001434435538	910180264	/nfs/dbraw/zinc/18/02/64/910180264.db2.gz	FBHFTHNZAUSNJN-UHFFFAOYSA-N	0	2	291.311	-0.950	20	30		CBEDLN
Cn1c(=O)[nH]c(NC[C@H](O)c2ccncc2)c(C#N)c1=O	ZINC001434445124	910189026	/nfs/dbraw/zinc/18/90/26/910189026.db2.gz	XTJZJATZFYHDMK-JTQLQIEISA-N	0	2	287.279	-0.514	20	30		CBEDLN
Cn1c(=O)[nH]c(N[C@@H](CO)CC(F)F)c(C#N)c1=O	ZINC001434448125	910191779	/nfs/dbraw/zinc/19/17/79/910191779.db2.gz	XVNKHCHEYSQFON-RXMQYKEDSA-N	0	2	274.227	-0.627	20	30		CBEDLN
Cc1cc(CNc2[nH]c(=O)n(C)c(=O)c2C#N)no1	ZINC001472667144	915757319	/nfs/dbraw/zinc/75/73/19/915757319.db2.gz	NEAODUJCBSPGBH-UHFFFAOYSA-N	0	2	261.241	-0.146	20	30		CBEDLN
C[C@H](O)[C@@H]1CCCN(c2[nH]c(=O)n(C)c(=O)c2C#N)C1	ZINC001472735900	915761107	/nfs/dbraw/zinc/76/11/07/915761107.db2.gz	SYSXADJPFNXQIQ-DTWKUNHWSA-N	0	2	278.312	-0.458	20	30		CBEDLN
Cn1c(=O)[nH]c(N[C@H](CO)c2ccccn2)c(C#N)c1=O	ZINC001472883435	915775457	/nfs/dbraw/zinc/77/54/57/915775457.db2.gz	UBGIUYJCXMQZAC-SNVBAGLBSA-N	0	2	287.279	-0.514	20	30		CBEDLN
Cn1c(=O)[nH]c(NCc2c(O)cccc2O)c(C#N)c1=O	ZINC001472887422	915778013	/nfs/dbraw/zinc/77/80/13/915778013.db2.gz	YJMRZYIBRABFEU-UHFFFAOYSA-N	0	2	288.263	-0.031	20	30		CBEDLN
N#Cc1c[nH]c(=O)n(Cn2nnc3ccccc32)c1=O	ZINC001473048451	915790906	/nfs/dbraw/zinc/79/09/06/915790906.db2.gz	XRCGHCWIMBOAKX-UHFFFAOYSA-N	0	2	268.236	-0.341	20	30		CBEDLN
C=CCNC(=O)CNS(=O)(=O)N=S(=O)(CC)CC	ZINC001475138949	915912120	/nfs/dbraw/zinc/91/21/20/915912120.db2.gz	FFNQKRLLIXBPHJ-UHFFFAOYSA-N	0	2	297.402	-0.369	20	30		CBEDLN
O=C(NCC#CCO)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1	ZINC001479162410	916097872	/nfs/dbraw/zinc/09/78/72/916097872.db2.gz	WNENVLBOIVWNSF-VIFPVBQESA-N	0	2	279.300	-0.605	20	30		CBEDLN
C#CCO[C@H](C)C(=O)NC[C@@H]1CCN1Cc1n[nH]c(=O)[nH]1	ZINC001483649931	917621348	/nfs/dbraw/zinc/62/13/48/917621348.db2.gz	PGVLGRXWYBLYQO-ZJUUUORDSA-N	0	2	293.327	-0.761	20	30		CBEDLN
N#CC(C(=O)CN1CCNC(=O)C1)c1ccncn1	ZINC001525275396	922663397	/nfs/dbraw/zinc/66/33/97/922663397.db2.gz	JQMFSERMHUXYHM-SECBINFHSA-N	0	2	259.269	-0.915	20	30		CBEDLN
N#C[C@@H](C(=O)CN1CCNC(=O)C1)c1ccncn1	ZINC001525275396	922663405	/nfs/dbraw/zinc/66/34/05/922663405.db2.gz	JQMFSERMHUXYHM-SECBINFHSA-N	0	2	259.269	-0.915	20	30		CBEDLN
C#CCOCCN(C)C(=O)Cn1[nH]cc2c(=O)ncnc1-2	ZINC001529436375	922894063	/nfs/dbraw/zinc/89/40/63/922894063.db2.gz	VMGRMPUZNOMTAL-UHFFFAOYSA-N	0	2	289.295	-0.821	20	30		CBEDLN
C#CCO[C@H](C)C(=O)NCCCc1n[nH]c(=O)[nH]1	ZINC001558941137	924204233	/nfs/dbraw/zinc/20/42/33/924204233.db2.gz	YHDNVJLKDAVTAG-MRVPVSSYSA-N	0	2	252.274	-0.403	20	30		CBEDLN
O=C(CNC(=O)c1cc(Cl)ccn1)NCC#CCO	ZINC001558980540	924208371	/nfs/dbraw/zinc/20/83/71/924208371.db2.gz	KGGHEFLSGWLOFN-UHFFFAOYSA-N	0	2	281.699	-0.423	20	30		CBEDLN
C[N@@H+]1CCO[C@@H](C(=O)Nc2nc(C#N)c(C#N)[n-]2)C1	ZINC000333573643	353004295	/nfs/dbraw/zinc/00/42/95/353004295.db2.gz	UNXYDMUDZGXFMU-SECBINFHSA-N	0	2	260.257	-0.578	20	30		CBEDLN
C[N@H+]1CCO[C@@H](C(=O)Nc2nc(C#N)c(C#N)[n-]2)C1	ZINC000333573643	353004297	/nfs/dbraw/zinc/00/42/97/353004297.db2.gz	UNXYDMUDZGXFMU-SECBINFHSA-N	0	2	260.257	-0.578	20	30		CBEDLN
COCC(=O)N(C)CC(=O)Nc1nc(C#N)c(C#N)[nH]1	ZINC000340505695	353173983	/nfs/dbraw/zinc/17/39/83/353173983.db2.gz	PWLJKWJGTNQTHI-UHFFFAOYSA-N	0	2	276.256	-0.804	20	30		CBEDLN
COC(=O)[C@@H]1CC[C@@H](C(=O)Nc2nc(C#N)c(C#N)[nH]2)O1	ZINC000352609275	353495663	/nfs/dbraw/zinc/49/56/63/353495663.db2.gz	GDORCFONKVZZKU-IUCAKERBSA-N	0	2	289.251	-0.188	20	30		CBEDLN
COC(=O)[C@H]1CC[C@@H](C(=O)Nc2nc(C#N)c(C#N)[nH]2)O1	ZINC000352609274	353495766	/nfs/dbraw/zinc/49/57/66/353495766.db2.gz	GDORCFONKVZZKU-DTWKUNHWSA-N	0	2	289.251	-0.188	20	30		CBEDLN
C=CCN1CC[C@H]([N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C1=O	ZINC000519426530	354561903	/nfs/dbraw/zinc/56/19/03/354561903.db2.gz	LJKXCRJPULGDOF-TUAOUCFPSA-N	0	2	278.356	-0.983	20	30		CBEDLN
C[C@@H]1C[C@H](C)CN(C(=O)Cn2c(=O)[nH]cc(C#N)c2=O)C1	ZINC000580310673	354993020	/nfs/dbraw/zinc/99/30/20/354993020.db2.gz	AFMOQZXDZAZNNC-AOOOYVTPSA-N	0	2	290.323	-0.087	20	30		CBEDLN
N#Cc1cncc(S(=O)(=O)Nc2cnn(CCO)c2)c1	ZINC000589550878	355068895	/nfs/dbraw/zinc/06/88/95/355068895.db2.gz	IFUBTEXMDNUPTG-UHFFFAOYSA-N	0	2	293.308	-0.057	20	30		CBEDLN
N#Cc1c[nH]c(=O)n(CCOC2CCOCC2)c1=O	ZINC000600559147	355557600	/nfs/dbraw/zinc/55/76/00/355557600.db2.gz	YTEDYZPSFKTIGP-UHFFFAOYSA-N	0	2	265.269	-0.396	20	30		CBEDLN
N#CCN1CCN(S(=O)(=O)NCC(F)(F)F)CC1	ZINC000126950190	220210300	/nfs/dbraw/zinc/21/03/00/220210300.db2.gz	MWPKYHNCTXRSDM-UHFFFAOYSA-N	0	2	286.279	-0.476	20	30		CBEDLN
N#CCN1CCN(C(=O)CSc2n[nH]c(=O)[nH]2)CC1	ZINC000331126037	220371712	/nfs/dbraw/zinc/37/17/12/220371712.db2.gz	NTSIVFJWHRHTIX-UHFFFAOYSA-N	0	2	282.329	-0.730	20	30		CBEDLN
CC#CC[C@@H](CO)NC(=O)CSc1n[nH]c(=O)[nH]1	ZINC000649183393	419849290	/nfs/dbraw/zinc/84/92/90/419849290.db2.gz	RVIGTSDGZCCXDB-ZETCQYMHSA-N	0	2	270.314	-0.507	20	30		CBEDLN
C=C[C@@H](O)C(=O)Nc1nnc(NS(C)(=O)=O)s1	ZINC000666975454	544651677	/nfs/dbraw/zinc/65/16/77/544651677.db2.gz	PNXQBHGZYIDEPL-SCSAIBSYSA-N	0	2	278.315	-0.605	20	30		CBEDLN
C=CCn1cc(CNS(=O)(=O)c2c(C)onc2N)nn1	ZINC000425179007	420262543	/nfs/dbraw/zinc/26/25/43/420262543.db2.gz	OHUPPYFLKJAOOW-UHFFFAOYSA-N	0	2	298.328	-0.179	20	30		CBEDLN
Cc1nc(C)c(C(=O)Cn2c(=O)[nH]cc(C#N)c2=O)o1	ZINC000518373932	260387835	/nfs/dbraw/zinc/38/78/35/260387835.db2.gz	JKLDMOHVIHYSDX-UHFFFAOYSA-N	0	2	274.236	-0.104	20	30		CBEDLN
N#Cc1c[nH]c(=O)n(CC(=O)NC2CCCC2)c1=O	ZINC000569361682	327164076	/nfs/dbraw/zinc/16/40/76/327164076.db2.gz	LPTRZVFAYDJLRO-UHFFFAOYSA-N	0	2	262.269	-0.533	20	30		CBEDLN
C=CC[C@H](CO)NS(=O)(=O)NCC(F)(F)F	ZINC000321112262	329260857	/nfs/dbraw/zinc/26/08/57/329260857.db2.gz	OSASQAZMXRGWEC-ZCFIWIBFSA-N	0	2	262.253	-0.090	20	30		CBEDLN
C#CC[NH+]1CCN(C(=O)C[N@@H+](CCO)[C@@H](C)CC)CC1	ZINC000491144234	332155841	/nfs/dbraw/zinc/15/58/41/332155841.db2.gz	HSRJLTQNBGSSSU-AWEZNQCLSA-N	0	2	281.400	-0.143	20	30		CBEDLN
C#CCN(CC#N)C(=O)CSc1n[nH]c(=O)[nH]1	ZINC000491243260	332167617	/nfs/dbraw/zinc/16/76/17/332167617.db2.gz	VWFAHSXCEQRMOM-UHFFFAOYSA-N	0	2	251.271	-0.412	20	30		CBEDLN
N#Cc1c[nH]c(=O)n(Cc2nnc3n2CCCC3)c1=O	ZINC000567352304	334707360	/nfs/dbraw/zinc/70/73/60/334707360.db2.gz	ZLPXWCQQLYQCSS-UHFFFAOYSA-N	0	2	272.268	-0.616	20	30		CBEDLN
N#Cc1c[nH]c(=O)n(CC(=O)NCC2CCC2)c1=O	ZINC000578192271	335551471	/nfs/dbraw/zinc/55/14/71/335551471.db2.gz	JJTWPCNOLXKIKI-UHFFFAOYSA-N	0	2	262.269	-0.675	20	30		CBEDLN
CC1CCN(C(=O)Cn2c(=O)[nH]cc(C#N)c2=O)CC1	ZINC000581488352	336088344	/nfs/dbraw/zinc/08/83/44/336088344.db2.gz	DLUTYIPEIJMPMW-UHFFFAOYSA-N	0	2	276.296	-0.333	20	30		CBEDLN
C#CCC[NH+]1CCN(S(=O)(=O)CCCC(=O)[O-])CC1	ZINC000736076551	582195278	/nfs/dbraw/zinc/19/52/78/582195278.db2.gz	IXZXAJWPTPITLS-UHFFFAOYSA-N	0	2	288.369	-0.178	20	30		CBEDLN
C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCO[C@@H](C(=O)[O-])C1	ZINC000736106289	582197531	/nfs/dbraw/zinc/19/75/31/582197531.db2.gz	XDUOVKMDTUBSAR-RKDXNWHRSA-N	0	2	285.300	-0.828	20	30		CBEDLN
C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCO[C@@H](C(=O)[O-])C1	ZINC000736106289	582197532	/nfs/dbraw/zinc/19/75/32/582197532.db2.gz	XDUOVKMDTUBSAR-RKDXNWHRSA-N	0	2	285.300	-0.828	20	30		CBEDLN
C=CC[C@H](CO)NC(=O)C[C@H]1SC(=N)NC1=O	ZINC000756675929	582304115	/nfs/dbraw/zinc/30/41/15/582304115.db2.gz	IODQBOIPQFNABB-RNFRBKRXSA-N	0	2	257.315	-0.404	20	30		CBEDLN
C#C[C@@H](C)N(C)C(=O)Cn1[nH]cc2c(=O)ncnc1-2	ZINC000767231843	582332015	/nfs/dbraw/zinc/33/20/15/582332015.db2.gz	IRVQJQIETXUKIG-MRVPVSSYSA-N	0	2	259.269	-0.449	20	30		CBEDLN
N#CCCNC(=O)CN1CCC[C@H](c2n[nH]c(=O)[nH]2)C1	ZINC000808777461	582444531	/nfs/dbraw/zinc/44/45/31/582444531.db2.gz	NZLQPMGJPHIGOQ-VIFPVBQESA-N	0	2	278.316	-0.280	20	30		CBEDLN
COc1cc(F)ccc1NN=C1C(=O)NC(=O)NC1=O	ZINC000814227664	582456156	/nfs/dbraw/zinc/45/61/56/582456156.db2.gz	JUUTYACSAATFPM-UHFFFAOYSA-N	0	2	280.215	-0.032	20	30		CBEDLN
O=C1NC(=O)C(=Nn2cc(Br)cn2)C(=O)N1	ZINC000814226011	582456192	/nfs/dbraw/zinc/45/61/92/582456192.db2.gz	YSHIPPVWYBSWGV-UHFFFAOYSA-N	0	2	286.045	-0.784	20	30		CBEDLN
O=C1NC(=O)C(=NNCCc2ccccc2F)C(=O)N1	ZINC000814224382	582456204	/nfs/dbraw/zinc/45/62/04/582456204.db2.gz	FMQLMPVCTYMEFZ-UHFFFAOYSA-N	0	2	278.243	-0.320	20	30		CBEDLN
O=C(N[C@@H]1CCN(O)C1=O)[C@H]1CCCc2[nH]ncc21	ZINC000816695711	582480710	/nfs/dbraw/zinc/48/07/10/582480710.db2.gz	JNBHMVNOFACKQD-OIBJUYFYSA-N	0	2	264.285	-0.064	20	30		CBEDLN
C[C@](C#N)(CC(=O)[O-])C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1	ZINC000819821440	582542920	/nfs/dbraw/zinc/54/29/20/582542920.db2.gz	GRHRLRYUCTWXLZ-BXUZGUMPSA-N	0	2	295.339	-0.076	20	30		CBEDLN
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](C)CC(=O)[O-])CC1	ZINC000819955093	582546099	/nfs/dbraw/zinc/54/60/99/582546099.db2.gz	HYRSNCTTWZSFTB-LBPRGKRZSA-N	0	2	296.371	-0.305	20	30		CBEDLN
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+](C)CC(=O)[O-])CC1	ZINC000819955093	582546102	/nfs/dbraw/zinc/54/61/02/582546102.db2.gz	HYRSNCTTWZSFTB-LBPRGKRZSA-N	0	2	296.371	-0.305	20	30		CBEDLN
C#CC[NH+]1CCN(C(=O)CC2CN(C(=O)[O-])C2)CC1	ZINC000823451151	582669438	/nfs/dbraw/zinc/66/94/38/582669438.db2.gz	ODJQPWVZEUKDHY-UHFFFAOYSA-N	0	2	265.313	-0.236	20	30		CBEDLN
C=CCCCn1c(=O)c(-c2nn[nH]n2)cn(C)c1=O	ZINC000823899094	582682112	/nfs/dbraw/zinc/68/21/12/582682112.db2.gz	LAEGXDMQKGNGBD-UHFFFAOYSA-N	0	2	262.273	-0.307	20	30		CBEDLN
Cc1cc(C)n(N=Cc2cn(C)nn2)c(=O)c1-c1nn[nH]n1	ZINC000826265515	582765087	/nfs/dbraw/zinc/76/50/87/582765087.db2.gz	BZXAUUCPMAFTMN-UHFFFAOYSA-N	0	2	299.298	-0.344	20	30		CBEDLN
N#Cc1c[nH]c(C(=O)NCC[NH+]2CCN(C(=O)[O-])CC2)c1	ZINC000831114890	582958428	/nfs/dbraw/zinc/95/84/28/582958428.db2.gz	WWJNHOGFFZPULG-UHFFFAOYSA-N	0	2	291.311	-0.088	20	30		CBEDLN
C#CCOCCC(=O)N(CC[NH+]1CCOCC1)CC(=O)[O-]	ZINC000833363830	583063780	/nfs/dbraw/zinc/06/37/80/583063780.db2.gz	BCYRBOVYWFHFKR-UHFFFAOYSA-N	0	2	298.339	-0.728	20	30		CBEDLN
C#CC[NH+]1CCN(CN2C[C@@H](C(=O)[O-])CC2=O)CC1	ZINC000833364287	583063857	/nfs/dbraw/zinc/06/38/57/583063857.db2.gz	JCABCVDJBIQLEA-NSHDSACASA-N	0	2	265.313	-0.872	20	30		CBEDLN
C=CCOCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-]	ZINC000833375572	583064685	/nfs/dbraw/zinc/06/46/85/583064685.db2.gz	FZJNNPASFWXJSA-VIFPVBQESA-N	0	2	253.258	-0.276	20	30		CBEDLN
C=CCOCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-]	ZINC000833375572	583064688	/nfs/dbraw/zinc/06/46/88/583064688.db2.gz	FZJNNPASFWXJSA-VIFPVBQESA-N	0	2	253.258	-0.276	20	30		CBEDLN
CCn1nc(C)c(C(=O)Cn2c(=O)[nH]cc(C#N)c2=O)n1	ZINC000842614852	583186715	/nfs/dbraw/zinc/18/67/15/583186715.db2.gz	LIVLNXHGYXXVNH-UHFFFAOYSA-N	0	2	288.267	-0.789	20	30		CBEDLN
C#C[C@@H]1COCCN1C(=O)NCC(=O)NOCC	ZINC000845533094	583315664	/nfs/dbraw/zinc/31/56/64/583315664.db2.gz	ASGQVSMACDXLOR-SECBINFHSA-N	0	2	255.274	-0.902	20	30		CBEDLN
C=CCCn1cc(C(=O)NCC(=O)NOCC)nn1	ZINC000846490173	583364019	/nfs/dbraw/zinc/36/40/19/583364019.db2.gz	FQLFXYMCFJDGCL-UHFFFAOYSA-N	0	2	267.289	-0.348	20	30		CBEDLN
CCONC(=O)CNC(=O)CNc1ccc(C#N)cn1	ZINC000846493505	583366193	/nfs/dbraw/zinc/36/61/93/583366193.db2.gz	INARZVSETKFIPV-UHFFFAOYSA-N	0	2	277.284	-0.451	20	30		CBEDLN
C#CC[N@H+]1CCC[C@H]1C(=O)NCC(=O)[N-]OCC	ZINC000846495222	583367315	/nfs/dbraw/zinc/36/73/15/583367315.db2.gz	DVIUFNLXHSFVLV-JTQLQIEISA-N	0	2	253.302	-0.732	20	30		CBEDLN
C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(=O)[N-]OCC	ZINC000846495222	583367317	/nfs/dbraw/zinc/36/73/17/583367317.db2.gz	DVIUFNLXHSFVLV-JTQLQIEISA-N	0	2	253.302	-0.732	20	30		CBEDLN
C=C(C)CONC(=O)CN1CCN(CC)C(=O)C1=O	ZINC000846539231	583375644	/nfs/dbraw/zinc/37/56/44/583375644.db2.gz	YVJBMBDOBAOPHB-UHFFFAOYSA-N	0	2	269.301	-0.699	20	30		CBEDLN
C=C[C@@H](C)ONC(=O)CN1CCN(S(C)(=O)=O)CC1	ZINC000846549429	583375994	/nfs/dbraw/zinc/37/59/94/583375994.db2.gz	YBCVRXLOOBIPQB-SNVBAGLBSA-N	0	2	291.373	-0.814	20	30		CBEDLN
C=C[C@@H](C)ONC(=O)CN1CCN(CC)C(=O)C1=O	ZINC000846552134	583376011	/nfs/dbraw/zinc/37/60/11/583376011.db2.gz	ZNFPABGCNHXSMA-SECBINFHSA-N	0	2	269.301	-0.701	20	30		CBEDLN
CC[C@H](C#N)N(C)C(=O)Cn1[nH]cc2c(=O)ncnc1-2	ZINC000847165453	583399729	/nfs/dbraw/zinc/39/97/29/583399729.db2.gz	ASYBMWFKCVRABI-MRVPVSSYSA-N	0	2	274.284	-0.168	20	30		CBEDLN
Cc1n[nH]c(SCC(=O)N[C@@H]2CCCN(O)C2=O)n1	ZINC000848135631	583432583	/nfs/dbraw/zinc/43/25/83/583432583.db2.gz	GPLYDCDULFHPGF-SSDOTTSWSA-N	0	2	285.329	-0.298	20	30		CBEDLN
CCONC(=O)CNC(=O)N1CC[C@](C)(C#N)C1	ZINC000852398940	583543942	/nfs/dbraw/zinc/54/39/42/583543942.db2.gz	BYEMTKAAXUFIRE-LLVKDONJSA-N	0	2	254.290	-0.001	20	30		CBEDLN
CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)N[C@@H](C#N)CO	ZINC000854871412	583626796	/nfs/dbraw/zinc/62/67/96/583626796.db2.gz	WNSPOMHFGFRHPV-BQBZGAKWSA-N	0	2	281.234	-0.310	20	30		CBEDLN
C=C(C)C[C@H](NC(C)=O)C(=O)NCC(=O)NOCC	ZINC000855023616	583631845	/nfs/dbraw/zinc/63/18/45/583631845.db2.gz	DSTMEOBSCOLCCQ-JTQLQIEISA-N	0	2	271.317	-0.359	20	30		CBEDLN
C=C[C@@H](C)ONC(=O)[C@H]1CCN=C2C1=NNN2C	ZINC000855026568	583632365	/nfs/dbraw/zinc/63/23/65/583632365.db2.gz	JFFYYLWVKSMHDK-SFYZADRCSA-N	0	2	251.290	-0.167	20	30		CBEDLN
C[C@@H]1C[C@@H]1/N=C1/NC(=O)[C@@H](CC(=O)NCCCO)S1	ZINC000864344904	583880607	/nfs/dbraw/zinc/88/06/07/583880607.db2.gz	JSQHMLKTUDQEJB-HRDYMLBCSA-N	0	2	285.369	-0.129	20	30		CBEDLN
CC(C)C(=O)N(C)Cn1c(=O)[nH]cc(C#N)c1=O	ZINC000882179403	584308742	/nfs/dbraw/zinc/30/87/42/584308742.db2.gz	RFSSTYBMYFBBTM-UHFFFAOYSA-N	0	2	250.258	-0.520	20	30		CBEDLN
C#CC[N@H+](C)CCC[NH2+]Cc1cn(CC(=O)OC)nn1	ZINC000883131297	584337873	/nfs/dbraw/zinc/33/78/73/584337873.db2.gz	VATKSVZNINUSNE-UHFFFAOYSA-N	0	2	279.344	-0.504	20	30		CBEDLN
C=CCN1CC[C@H]([N@H+](CCC(=O)OC)CC(=O)[O-])C1=O	ZINC000883413184	584341202	/nfs/dbraw/zinc/34/12/02/584341202.db2.gz	DIICVMWYAVOQMC-JTQLQIEISA-N	0	2	284.312	-0.277	20	30		CBEDLN
C=CCN1CC[C@H]([N@@H+](CCC(=O)OC)CC(=O)[O-])C1=O	ZINC000883413184	584341203	/nfs/dbraw/zinc/34/12/03/584341203.db2.gz	DIICVMWYAVOQMC-JTQLQIEISA-N	0	2	284.312	-0.277	20	30		CBEDLN
N#Cc1c[nH]c(=O)n(C[C@@H]2C[C@@H]3COC[C@@H]3O2)c1=O	ZINC000901565894	584865094	/nfs/dbraw/zinc/86/50/94/584865094.db2.gz	OQLUROBPFBCAKR-JEZHCXPESA-N	0	2	263.253	-0.788	20	30		CBEDLN
C#CCNC(=O)[C@@H](C)[N@@H+]1CCN(C(=O)[O-])[C@H](C)C1	ZINC000738461529	603357552	/nfs/dbraw/zinc/35/75/52/603357552.db2.gz	ULVVQGYUJRQCMZ-NXEZZACHSA-N	0	2	253.302	-0.192	20	30		CBEDLN
C#CCNC(=O)[C@@H](C)[N@H+]1CCN(C(=O)[O-])[C@H](C)C1	ZINC000738461529	603357553	/nfs/dbraw/zinc/35/75/53/603357553.db2.gz	ULVVQGYUJRQCMZ-NXEZZACHSA-N	0	2	253.302	-0.192	20	30		CBEDLN
C#CCNC(=O)[C@@H](C)[N@@H+]1CCN(C(=O)[O-])[C@@H](C)C1	ZINC000738461532	603357568	/nfs/dbraw/zinc/35/75/68/603357568.db2.gz	ULVVQGYUJRQCMZ-VHSXEESVSA-N	0	2	253.302	-0.192	20	30		CBEDLN
C#CCNC(=O)[C@@H](C)[N@H+]1CCN(C(=O)[O-])[C@@H](C)C1	ZINC000738461532	603357569	/nfs/dbraw/zinc/35/75/69/603357569.db2.gz	ULVVQGYUJRQCMZ-VHSXEESVSA-N	0	2	253.302	-0.192	20	30		CBEDLN
C=CC[NH+]1CC(N(CC)C(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC000950773632	613659775	/nfs/dbraw/zinc/65/97/75/613659775.db2.gz	OIVFJSSPTMDLME-UHFFFAOYSA-N	0	2	279.300	-0.385	20	30		CBEDLN
C[C@H](C#N)C(=O)N1CC(CNC(=O)c2[nH]ncc2F)C1	ZINC001004141372	656881493	/nfs/dbraw/zinc/88/14/93/656881493.db2.gz	NNPKDPKFIHCSPV-SSDOTTSWSA-N	0	2	279.275	-0.103	20	30		CBEDLN
C#CC1(F)CN(C(=O)C[C@@H]2SC(=N)NC2=O)C1	ZINC000919896214	657860960	/nfs/dbraw/zinc/86/09/60/657860960.db2.gz	KUSYKZHMYJBZON-LURJTMIESA-N	0	2	255.274	-0.273	20	30		CBEDLN
C#CC[N@H+]1CCC[C@@H](NC(=O)CCc2nn[n-]n2)C1	ZINC000923556210	658322751	/nfs/dbraw/zinc/32/27/51/658322751.db2.gz	DXSWGMUOPISUSC-SNVBAGLBSA-N	0	2	262.317	-0.654	20	30		CBEDLN
C#CC[N@@H+]1CCC[C@@H](NC(=O)CCc2nn[n-]n2)C1	ZINC000923556210	658322763	/nfs/dbraw/zinc/32/27/63/658322763.db2.gz	DXSWGMUOPISUSC-SNVBAGLBSA-N	0	2	262.317	-0.654	20	30		CBEDLN
C[C@H](C#N)C(=O)N1CCCN(Cc2n[nH]c(=O)[nH]2)CC1	ZINC000980849040	659297156	/nfs/dbraw/zinc/29/71/56/659297156.db2.gz	GNFOZBOYLIQDPR-SECBINFHSA-N	0	2	278.316	-0.296	20	30		CBEDLN
C=C(Cl)C[NH+]1CC(CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC001031817756	799547992	/nfs/dbraw/zinc/54/79/92/799547992.db2.gz	SIBYKNFTTZQUGV-UHFFFAOYSA-N	0	2	299.718	-0.303	20	30		CBEDLN
C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CC[C@H](C)C2)C1	ZINC001047528824	801893352	/nfs/dbraw/zinc/89/33/52/801893352.db2.gz	DFBMDNDPEFFDFC-IHRRRGAJSA-N	0	2	279.384	-0.535	20	30		CBEDLN
C=CCn1cc(C(=O)NCc2nc(O)cc(=O)[nH]2)nn1	ZINC001149283756	814980826	/nfs/dbraw/zinc/98/08/26/814980826.db2.gz	FTYOFVIBFONJJF-UHFFFAOYSA-N	0	2	276.256	-0.405	20	30		CBEDLN
C=CCn1cc(C(=O)NCC2=NC(=O)CC(=O)N2)nn1	ZINC001149283756	814980832	/nfs/dbraw/zinc/98/08/32/814980832.db2.gz	FTYOFVIBFONJJF-UHFFFAOYSA-N	0	2	276.256	-0.405	20	30		CBEDLN
C[C@H](C#N)C(=O)N(C)C1CN(Cc2n[nH]c(=O)[nH]2)C1	ZINC001323898090	804081346	/nfs/dbraw/zinc/08/13/46/804081346.db2.gz	HJOYJGHAVHCRFM-SSDOTTSWSA-N	0	2	264.289	-0.687	20	30		CBEDLN
N#C[C@@H](NC(=O)c1c[nH]c2cccnc2c1=O)C(N)=O	ZINC001153862503	815183397	/nfs/dbraw/zinc/18/33/97/815183397.db2.gz	XEBFKIHJBFHMSK-MRVPVSSYSA-N	0	2	271.236	-0.970	20	30		CBEDLN
C#CC[C@H](NC(=O)/C=C(\C)C[NH+]1CCOCC1)C(=O)[O-]	ZINC001119581845	812815742	/nfs/dbraw/zinc/81/57/42/812815742.db2.gz	NJNPLBKCWCZNCM-ZKQHCESOSA-N	0	2	280.324	-0.142	20	30		CBEDLN
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Cn1c(=O)[nH]c(N2CC3(C2)CCOC3)c(C#N)c1=O	ZINC001120938488	813029423	/nfs/dbraw/zinc/02/94/23/813029423.db2.gz	PNNLAMRVPCJFTP-UHFFFAOYSA-N	0	2	262.269	-0.828	20	30		CBEDLN
N#CC(C(=O)[C@@H]1CSCC(=O)N1)c1ccncn1	ZINC001122924436	813196992	/nfs/dbraw/zinc/19/69/92/813196992.db2.gz	SBPFQMUDPKHAOM-CBAPKCEASA-N	0	2	262.294	-0.116	20	30		CBEDLN
C#CC[C@@H](NC(=O)C[C@@H]1SC(=N)NC1=O)C(=O)OC	ZINC001141994820	814679729	/nfs/dbraw/zinc/67/97/29/814679729.db2.gz	AFDSBHNWIUVWKB-RQJHMYQMSA-N	0	2	283.309	-0.776	20	30		CBEDLN
COCCCOC1CN(c2[nH]c(=O)n(C)c(=O)c2C#N)C1	ZINC001162823691	815843983	/nfs/dbraw/zinc/84/39/83/815843983.db2.gz	VCHPWQQTCSQNFF-UHFFFAOYSA-N	0	2	294.311	-0.813	20	30		CBEDLN
Cn1c(=O)[nH]c(NCCCCCO)c(C#N)c1=O	ZINC001163209869	815866679	/nfs/dbraw/zinc/86/66/79/815866679.db2.gz	BNZHKGVRBHYMND-UHFFFAOYSA-N	0	2	252.274	-0.480	20	30		CBEDLN
Cn1c(=O)[nH]c(N2CC(C(C)(C)O)C2)c(C#N)c1=O	ZINC001307095609	816795524	/nfs/dbraw/zinc/79/55/24/816795524.db2.gz	DPVUXOBNVTVCMZ-UHFFFAOYSA-N	0	2	264.285	-0.848	20	30		CBEDLN
Cn1c(=O)[nH]c(NC[C@@H]2CCC[C@H]2O)c(C#N)c1=O	ZINC001307141804	816796605	/nfs/dbraw/zinc/79/66/05/816796605.db2.gz	PAGWRKPLIPUPPU-IONNQARKSA-N	0	2	264.285	-0.482	20	30		CBEDLN
N#CCSCC(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[nH]2)C1	ZINC001316971484	816911000	/nfs/dbraw/zinc/91/10/00/816911000.db2.gz	WRVDJJAQJQDVDU-MRVPVSSYSA-N	0	2	296.356	-0.542	20	30		CBEDLN
CC(C#N)C(=O)n1c(N)c(C#N)c(N)nc1=NC1CC1	ZINC001179888411	820643437	/nfs/dbraw/zinc/64/34/37/820643437.db2.gz	HYACPEGQWBCFBH-LURJTMIESA-N	0	2	271.284	-0.218	20	30		CBEDLN
C[C@@H](C#N)C(=O)n1c(N)c(C#N)c(N)nc1=NC1CC1	ZINC001179888411	820643455	/nfs/dbraw/zinc/64/34/55/820643455.db2.gz	HYACPEGQWBCFBH-LURJTMIESA-N	0	2	271.284	-0.218	20	30		CBEDLN
COC(=O)[C@@H]1CS[C@@H](C(=O)OC)N1C(=O)C(C)C#N	ZINC001179894958	820645853	/nfs/dbraw/zinc/64/58/53/820645853.db2.gz	KOWLOTRYUJMENY-FJXKBIBVSA-N	0	2	286.309	-0.238	20	30		CBEDLN
COC(=O)[C@@H]1CS[C@@H](C(=O)OC)N1C(=O)[C@H](C)C#N	ZINC001179894958	820645859	/nfs/dbraw/zinc/64/58/59/820645859.db2.gz	KOWLOTRYUJMENY-FJXKBIBVSA-N	0	2	286.309	-0.238	20	30		CBEDLN
C/C=C/C[C@H](CO)Nc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001186211061	821174249	/nfs/dbraw/zinc/17/42/49/821174249.db2.gz	GOBKEBAFKXUFED-MPJRPATESA-N	0	2	264.285	-0.316	20	30		CBEDLN
C/C=C/C[C@@H](CO)Nc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001186211062	821175047	/nfs/dbraw/zinc/17/50/47/821175047.db2.gz	GOBKEBAFKXUFED-RTMURIBGSA-N	0	2	264.285	-0.316	20	30		CBEDLN
CN(C)C(=O)OCCNc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001186964597	821206864	/nfs/dbraw/zinc/20/68/64/821206864.db2.gz	IQOQZDUMVNALEP-UHFFFAOYSA-N	0	2	281.272	-0.945	20	30		CBEDLN
CCOC(=O)[C@H](C#N)NS(=O)(=O)c1cnoc1C	ZINC001187400259	822275958	/nfs/dbraw/zinc/27/59/58/822275958.db2.gz	BUELNKJIYRHKLK-ZETCQYMHSA-N	0	2	273.270	-0.283	20	30		CBEDLN
C=CCC1(S(=O)(=O)NC2(C(=O)OC)COC2)CC1	ZINC001190824012	823852390	/nfs/dbraw/zinc/85/23/90/823852390.db2.gz	GOTUUAPFCIRTFH-UHFFFAOYSA-N	0	2	275.326	-0.044	20	30		CBEDLN
CCOC(=O)[C@H](C#N)NS(=O)(=O)c1ccncc1	ZINC001190916601	823862379	/nfs/dbraw/zinc/86/23/79/823862379.db2.gz	XLRFKLZFYAVFGU-VIFPVBQESA-N	0	2	269.282	-0.185	20	30		CBEDLN
N#C[C@@H](NC(=O)c1c(F)ccc(F)c1O)C(N)=O	ZINC001192719455	823980869	/nfs/dbraw/zinc/98/08/69/823980869.db2.gz	JKPXVSCRPCGIQL-ZCFIWIBFSA-N	0	2	255.180	-0.222	20	30		CBEDLN
CCOC(=O)[C@@H](NS(=O)(=O)[C@H](C)C#N)c1cnccn1	ZINC001193182791	824012731	/nfs/dbraw/zinc/01/27/31/824012731.db2.gz	RKENKHPKYLHVIV-SCZZXKLOSA-N	0	2	298.324	-0.088	20	30		CBEDLN
N#CCCCO[C@H](C[NH+]1CCOCC1)CS(=O)(=O)[O-]	ZINC001205631361	824381091	/nfs/dbraw/zinc/38/10/91/824381091.db2.gz	JZQPQXGSTDRPCS-LLVKDONJSA-N	0	2	292.357	-0.105	20	30		CBEDLN
N#CCCCO[C@@H](C[NH+]1CCOCC1)CS(=O)(=O)[O-]	ZINC001205631364	824381127	/nfs/dbraw/zinc/38/11/27/824381127.db2.gz	JZQPQXGSTDRPCS-NSHDSACASA-N	0	2	292.357	-0.105	20	30		CBEDLN
N#Cc1cc(NC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)c([O-])cc1F	ZINC001219068075	824654423	/nfs/dbraw/zinc/65/44/23/824654423.db2.gz	GOMWUTWMARZGKH-ZETCQYMHSA-N	0	2	291.246	-0.575	20	30		CBEDLN
C#CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCC)[C@@H](O)C1	ZINC001220815129	825105920	/nfs/dbraw/zinc/10/59/20/825105920.db2.gz	BKJGRMJVFOUUDO-NEPJUHHUSA-N	0	2	253.346	-0.877	20	30		CBEDLN
CNC(=O)c1cc(C#N)cc(C)c1NS(N)(=O)=O	ZINC001260081180	826124288	/nfs/dbraw/zinc/12/42/88/826124288.db2.gz	WNBIQUBURYSQCT-UHFFFAOYSA-N	0	2	268.298	-0.158	20	30		CBEDLN
C#Cc1cc(=NS(=O)(=O)CS(C)(=O)=O)cc[nH]1	ZINC001260584257	826470701	/nfs/dbraw/zinc/47/07/01/826470701.db2.gz	VZRUYKQIOKACJI-UHFFFAOYSA-N	0	2	274.323	-0.771	20	30		CBEDLN
Cn1c(=O)[nH]c(N[C@@H]2C[C@H]3CC[C@@H]2O3)c(C#N)c1=O	ZINC001262700773	826723618	/nfs/dbraw/zinc/72/36/18/826723618.db2.gz	QSOPEYCKUGTPJZ-VDAHYXPESA-N	0	2	262.269	-0.323	20	30		CBEDLN
C=C(C)C[NH+]1CC(NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1	ZINC001267651084	827191361	/nfs/dbraw/zinc/19/13/61/827191361.db2.gz	IICLZNHOKTXQCU-UHFFFAOYSA-N	0	2	293.327	-0.408	20	30		CBEDLN
CC(C)C#CC(=O)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[nH]1	ZINC001267706042	827204063	/nfs/dbraw/zinc/20/40/63/827204063.db2.gz	ADQBXVPBCMDHMM-QWRGUYRKSA-N	0	2	289.339	-0.045	20	30		CBEDLN
CC#CC[N@H+]1CC[C@H]1CNC(=O)CCc1cn[nH]n1	ZINC001269292700	827489416	/nfs/dbraw/zinc/48/94/16/827489416.db2.gz	RLLTWNUPWWKIFW-LBPRGKRZSA-N	0	2	261.329	-0.049	20	30		CBEDLN
C=CC[N@H+]1CCC[C@@](CO)(NC(=O)c2ncn[nH]2)C1	ZINC001271987974	827746113	/nfs/dbraw/zinc/74/61/13/827746113.db2.gz	NNESNZXUCBIUOC-GFCCVEGCSA-N	0	2	265.317	-0.453	20	30		CBEDLN
C=CC[N@@H+]1CCC[C@@](CO)(NC(=O)c2ncn[nH]2)C1	ZINC001271987974	827746116	/nfs/dbraw/zinc/74/61/16/827746116.db2.gz	NNESNZXUCBIUOC-GFCCVEGCSA-N	0	2	265.317	-0.453	20	30		CBEDLN
C#CCN1CC(O)(CNC(=O)C(F)C(F)(F)F)C1	ZINC001278868008	828301437	/nfs/dbraw/zinc/30/14/37/828301437.db2.gz	JZKWYRIVTTZQBZ-SSDOTTSWSA-N	0	2	268.210	-0.317	20	30		CBEDLN
C#CCN1CC(O)(CNC(=O)[C@@H](F)C(F)(F)F)C1	ZINC001278868008	828301446	/nfs/dbraw/zinc/30/14/46/828301446.db2.gz	JZKWYRIVTTZQBZ-SSDOTTSWSA-N	0	2	268.210	-0.317	20	30		CBEDLN
Cn1c(=O)[nH]c(NCC2CCOCC2)c(C#N)c1=O	ZINC001337756398	889072412	/nfs/dbraw/zinc/07/24/12/889072412.db2.gz	DPNUREZLLSPQFK-UHFFFAOYSA-N	0	2	264.285	-0.216	20	30		CBEDLN
COC[C@@H]1CCN(c2[nH]c(=O)n(C)c(=O)c2C#N)C1	ZINC001339589137	889293660	/nfs/dbraw/zinc/29/36/60/889293660.db2.gz	MWFCZSYQOBYISR-MRVPVSSYSA-N	0	2	264.285	-0.582	20	30		CBEDLN
O=C1NC(=O)C(=NNc2ccc(F)cn2)C(=O)N1	ZINC001326192901	884938910	/nfs/dbraw/zinc/93/89/10/884938910.db2.gz	KLZCXSFYMUSUMF-UHFFFAOYSA-N	0	2	251.177	-0.645	20	30		CBEDLN
O=C1NC(=O)C(=NN[C@@H]2CCCSC2)C(=O)N1	ZINC001330923541	886625394	/nfs/dbraw/zinc/62/53/94/886625394.db2.gz	IFYWWYKQZXNUBJ-RXMQYKEDSA-N	0	2	256.287	-0.806	20	30		CBEDLN
C[C@@H]1CN(c2[nH]c(=O)n(C)c(=O)c2C#N)[C@H](C)CO1	ZINC001336458050	888766971	/nfs/dbraw/zinc/76/69/71/888766971.db2.gz	QPPRXRGHDPKBCS-HTQZYQBOSA-N	0	2	264.285	-0.441	20	30		CBEDLN
CC[C@@]1(Nc2[nH]c(=O)n(C)c(=O)c2C#N)CCOC1	ZINC001336616718	888817065	/nfs/dbraw/zinc/81/70/65/888817065.db2.gz	RPDJGGUILACWGO-GFCCVEGCSA-N	0	2	264.285	-0.074	20	30		CBEDLN
C[C@@H]1C[C@@H](Nc2[nH]c(=O)n(C)c(=O)c2C#N)[C@H](C)O1	ZINC001336691918	888849853	/nfs/dbraw/zinc/84/98/53/888849853.db2.gz	HJDPHVIMTRTQKC-BKPPORCPSA-N	0	2	264.285	-0.077	20	30		CBEDLN
Cn1c(=O)[nH]c(NC[C@H]2CCOC2)c(C#N)c1=O	ZINC001337726568	889071369	/nfs/dbraw/zinc/07/13/69/889071369.db2.gz	LQIUAXPOGDSNBM-SSDOTTSWSA-N	0	2	250.258	-0.606	20	30		CBEDLN
COCCCN(C)c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001337746817	889074543	/nfs/dbraw/zinc/07/45/43/889074543.db2.gz	RUJGDJJJQAJXQX-UHFFFAOYSA-N	0	2	252.274	-0.582	20	30		CBEDLN
Cn1c(=O)[nH]c(N2C[C@H]3CC[C@@H](C2)O3)c(C#N)c1=O	ZINC001337795870	889080115	/nfs/dbraw/zinc/08/01/15/889080115.db2.gz	XDFHZNVDUBTSPS-OCAPTIKFSA-N	0	2	262.269	-0.687	20	30		CBEDLN
COC[C@H](OC)C(=O)C(C#N)=C([O-])c1[nH+]ccn1C	ZINC001342709660	889817614	/nfs/dbraw/zinc/81/76/14/889817614.db2.gz	KFLZZPQJLBGFHH-IUCAKERBSA-N	0	2	265.269	-0.027	20	30		CBEDLN
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N#C[C@@H](C(=O)CN1CCOCC1=O)c1ccncn1	ZINC001344623026	890050391	/nfs/dbraw/zinc/05/03/91/890050391.db2.gz	VBYMSGTXCKKSJW-SECBINFHSA-N	0	2	260.253	-0.488	20	30		CBEDLN
O=C1NC(=O)C(=NNc2ccnc(F)c2)C(=O)N1	ZINC001347601026	890486758	/nfs/dbraw/zinc/48/67/58/890486758.db2.gz	YLJVLEMCKBFNDA-UHFFFAOYSA-N	0	2	251.177	-0.645	20	30		CBEDLN
C[C@H]1C[C@@H](Nc2[nH]c(=O)n(C)c(=O)c2C#N)CCO1	ZINC001348072819	890556283	/nfs/dbraw/zinc/55/62/83/890556283.db2.gz	FRIJAJLGAQVEJX-YUMQZZPRSA-N	0	2	264.285	-0.075	20	30		CBEDLN
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C[C@H]1CCN(c2[nH]c(=O)n(C)c(=O)c2C#N)CCO1	ZINC001348322446	890595785	/nfs/dbraw/zinc/59/57/85/890595785.db2.gz	AJTWIVAIZQYLQW-QMMMGPOBSA-N	0	2	264.285	-0.440	20	30		CBEDLN
CO[C@H]1CC[C@H](Nc2[nH]c(=O)n(C)c(=O)c2C#N)C1	ZINC001354170562	891525788	/nfs/dbraw/zinc/52/57/88/891525788.db2.gz	CUTZJWJXSWMWKU-YUMQZZPRSA-N	0	2	264.285	-0.075	20	30		CBEDLN
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Cn1c(=O)[nH]c(NCC[C@]2(O)CCCOC2)c(C#N)c1=O	ZINC001363145461	893404436	/nfs/dbraw/zinc/40/44/36/893404436.db2.gz	FTBUEHPDGFTOMM-CYBMUJFWSA-N	0	2	294.311	-0.711	20	30		CBEDLN
Cn1c(=O)[nH]c(N[C@H](CO)[C@H]2CCCOC2)c(C#N)c1=O	ZINC001363150751	893411066	/nfs/dbraw/zinc/41/10/66/893411066.db2.gz	HGVFDLVRCYFITM-WCBMZHEXSA-N	0	2	294.311	-0.855	20	30		CBEDLN
CCOC(=O)CCN(C)c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001363152921	893411507	/nfs/dbraw/zinc/41/15/07/893411507.db2.gz	KJAKINMOLKYOCS-UHFFFAOYSA-N	0	2	280.284	-0.665	20	30		CBEDLN
Cc1cc(CCNc2[nH]c(=O)n(C)c(=O)c2C#N)nn1C	ZINC001363158594	893416574	/nfs/dbraw/zinc/41/65/74/893416574.db2.gz	STWVSXQSEPOJQK-UHFFFAOYSA-N	0	2	288.311	-0.358	20	30		CBEDLN
Cn1c(=O)[nH]c(N2CCC[C@@H]2c2ncon2)c(C#N)c1=O	ZINC001363732887	893947515	/nfs/dbraw/zinc/94/75/15/893947515.db2.gz	OQFRREPLWNFKAE-MRVPVSSYSA-N	0	2	288.267	-0.330	20	30		CBEDLN
Cn1c(=O)[nH]c(N2CCC[C@H]2c2ncon2)c(C#N)c1=O	ZINC001363732897	893947558	/nfs/dbraw/zinc/94/75/58/893947558.db2.gz	OQFRREPLWNFKAE-QMMMGPOBSA-N	0	2	288.267	-0.330	20	30		CBEDLN
CC(C)OC[C@H](CO)N(C)c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001363736609	893949996	/nfs/dbraw/zinc/94/99/96/893949996.db2.gz	RLTLNDNLZYNWJU-VIFPVBQESA-N	0	2	296.327	-0.833	20	30		CBEDLN
COC[C@@H]1CN(c2[nH]c(=O)n(C)c(=O)c2C#N)C[C@H](C)O1	ZINC001363733726	893950692	/nfs/dbraw/zinc/95/06/92/893950692.db2.gz	NTUFIEZALKQCGW-IUCAKERBSA-N	0	2	294.311	-0.815	20	30		CBEDLN
CO[C@H](CNc1[nH]c(=O)n(C)c(=O)c1C#N)[C@H]1CCOC1	ZINC001363743926	893959268	/nfs/dbraw/zinc/95/92/68/893959268.db2.gz	NWMLQWFFHHGKFR-WCBMZHEXSA-N	0	2	294.311	-0.591	20	30		CBEDLN
Cn1c(=O)[nH]c(N2CCc3n[nH]cc3C2)c(C#N)c1=O	ZINC001364133414	894207885	/nfs/dbraw/zinc/20/78/85/894207885.db2.gz	XXZCKLSPHSFWTA-UHFFFAOYSA-N	0	2	272.268	-0.769	20	30		CBEDLN
C[C@@H]1CN(CCNc2[nH]c(=O)n(C)c(=O)c2C#N)CCO1	ZINC001364155389	894217073	/nfs/dbraw/zinc/21/70/73/894217073.db2.gz	ZLEVKOJISAMECK-SECBINFHSA-N	0	2	293.327	-0.922	20	30		CBEDLN
C[C@@H]1C[N@H+](CCNc2[n-]c(=O)n(C)c(=O)c2C#N)CCO1	ZINC001364155389	894217090	/nfs/dbraw/zinc/21/70/90/894217090.db2.gz	ZLEVKOJISAMECK-SECBINFHSA-N	0	2	293.327	-0.922	20	30		CBEDLN
C[C@@H]1C[N@@H+](CCNc2[n-]c(=O)n(C)c(=O)c2C#N)CCO1	ZINC001364155389	894217108	/nfs/dbraw/zinc/21/71/08/894217108.db2.gz	ZLEVKOJISAMECK-SECBINFHSA-N	0	2	293.327	-0.922	20	30		CBEDLN
CN(C[C@@H]1CCC[C@H]1O)c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001364168198	894227482	/nfs/dbraw/zinc/22/74/82/894227482.db2.gz	FORQXCRJSXWXGX-WCBMZHEXSA-N	0	2	278.312	-0.458	20	30		CBEDLN
Cc1nnc(CCNc2[nH]c(=O)n(C)c(=O)c2C#N)n1C	ZINC001364174001	894228963	/nfs/dbraw/zinc/22/89/63/894228963.db2.gz	XQGYHDXJNPVJSJ-UHFFFAOYSA-N	0	2	289.299	-0.963	20	30		CBEDLN
C[C@@H](C[S@@](C)=O)Nc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001364182017	894236819	/nfs/dbraw/zinc/23/68/19/894236819.db2.gz	KFVUHMZOBIAJQS-AHGSNSTDSA-N	0	2	270.314	-0.876	20	30		CBEDLN
Cc1cc(CNc2[nH]c(=O)n(C)c(=O)c2C#N)ncn1	ZINC001364182984	894238569	/nfs/dbraw/zinc/23/85/69/894238569.db2.gz	ODXYMRUVRZVKOT-UHFFFAOYSA-N	0	2	272.268	-0.344	20	30		CBEDLN
CC(C)[C@@]1(CO)CCN(c2[nH]c(=O)n(C)c(=O)c2C#N)C1	ZINC001364195675	894243607	/nfs/dbraw/zinc/24/36/07/894243607.db2.gz	RKLQSMJVTKVIES-AWEZNQCLSA-N	0	2	292.339	-0.210	20	30		CBEDLN
Cn1c(=O)[nH]c(NCc2nnc3n2CCC3)c(C#N)c1=O	ZINC001364533470	894481052	/nfs/dbraw/zinc/48/10/52/894481052.db2.gz	OECAWHGTSKXEPY-UHFFFAOYSA-N	0	2	287.283	-0.905	20	30		CBEDLN
CCOC(=O)[C@@H](C)[C@H](C)Nc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001364556564	894492857	/nfs/dbraw/zinc/49/28/57/894492857.db2.gz	OBDNUWGPKBLMSW-YUMQZZPRSA-N	0	2	294.311	-0.055	20	30		CBEDLN
CCCNC(=O)CCNc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001365214674	894822470	/nfs/dbraw/zinc/82/24/70/894822470.db2.gz	NPRHDIZTENKLEG-UHFFFAOYSA-N	0	2	279.300	-0.727	20	30		CBEDLN
CC(=O)N1CCC(Nc2[nH]c(=O)n(C)c(=O)c2C#N)CC1	ZINC001365207738	894823817	/nfs/dbraw/zinc/82/38/17/894823817.db2.gz	OKPVFLBMMGPHMA-UHFFFAOYSA-N	0	2	291.311	-0.632	20	30		CBEDLN
CC(C)COC[C@@H](O)CNc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001365210632	894824418	/nfs/dbraw/zinc/82/44/18/894824418.db2.gz	YSJAXAQCRQAXAB-VIFPVBQESA-N	0	2	296.327	-0.609	20	30		CBEDLN
CN(Cc1ccc(N)nc1)c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001365221536	894826087	/nfs/dbraw/zinc/82/60/87/894826087.db2.gz	CVIKZRJBKQTQLO-UHFFFAOYSA-N	0	2	286.295	-0.441	20	30		CBEDLN
Cn1c(=O)[nH]c(NC[C@@H](O)c2cncs2)c(C#N)c1=O	ZINC001365239497	894841034	/nfs/dbraw/zinc/84/10/34/894841034.db2.gz	NNTJKRMPTWEYEF-SSDOTTSWSA-N	0	2	293.308	-0.453	20	30		CBEDLN
C[C@@H]1CN(c2[nH]c(=O)n(C)c(=O)c2C#N)Cc2cncnc21	ZINC001365239366	894841833	/nfs/dbraw/zinc/84/18/33/894841833.db2.gz	VEARLSDSKNRZNK-MRVPVSSYSA-N	0	2	298.306	-0.141	20	30		CBEDLN
COc1coc(Cn2c(=O)[nH]cc(C#N)c2=O)cc1=O	ZINC001365261360	894851564	/nfs/dbraw/zinc/85/15/64/894851564.db2.gz	TZQZGGLAOXYTDA-UHFFFAOYSA-N	0	2	275.220	-0.582	20	30		CBEDLN
CC(C)[C@@H](O)CNc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001458197988	914629608	/nfs/dbraw/zinc/62/96/08/914629608.db2.gz	JXDPMJZRTMXNOK-QMMMGPOBSA-N	0	2	252.274	-0.626	20	30		CBEDLN
CC(C)[C@H](O)CNc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001458197957	914631902	/nfs/dbraw/zinc/63/19/02/914631902.db2.gz	JXDPMJZRTMXNOK-MRVPVSSYSA-N	0	2	252.274	-0.626	20	30		CBEDLN
Cc1nc(CN(C)c2[nH]c(=O)n(C)c(=O)c2C#N)no1	ZINC001458294995	914640068	/nfs/dbraw/zinc/64/00/68/914640068.db2.gz	YQJIDCCRPYODHO-UHFFFAOYSA-N	0	2	276.256	-0.727	20	30		CBEDLN
Cn1c(=O)[nH]c(N2CCC[C@@](O)(C3CC3)C2)c(C#N)c1=O	ZINC001458478060	914654800	/nfs/dbraw/zinc/65/48/00/914654800.db2.gz	MIDGNJUCYZGSRL-AWEZNQCLSA-N	0	2	290.323	-0.313	20	30		CBEDLN
COC(=O)[C@@H]1C[C@H](F)CN1c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001458560803	914657275	/nfs/dbraw/zinc/65/72/75/914657275.db2.gz	HQNHCIONIFNNIB-XPUUQOCRSA-N	0	2	296.258	-0.965	20	30		CBEDLN
Cn1c(=O)[nH]c(N[C@H](CO)C[C@H]2CCCO2)c(C#N)c1=O	ZINC001458599342	914660868	/nfs/dbraw/zinc/66/08/68/914660868.db2.gz	CUYLJLOMFQTEKD-DTWKUNHWSA-N	0	2	294.311	-0.713	20	30		CBEDLN
Cn1c(=O)[nH]c(N[C@H]2C[C@H](CO)C2)c(C#N)c1=O	ZINC001458627097	914664697	/nfs/dbraw/zinc/66/46/97/914664697.db2.gz	SZEMOKZABIHQFJ-LJGSYFOKSA-N	0	2	250.258	-0.872	20	30		CBEDLN
N#Cc1ccc(NCC(=O)NCc2n[nH]c(=O)[nH]2)nc1	ZINC001411886421	904378010	/nfs/dbraw/zinc/37/80/10/904378010.db2.gz	PEGKDMQUOUGGMF-UHFFFAOYSA-N	0	2	273.256	-0.495	20	30		CBEDLN
CCc1nncn1CCNc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001412868912	904771402	/nfs/dbraw/zinc/77/14/02/904771402.db2.gz	DQODNUTZEXKEQJ-UHFFFAOYSA-N	0	2	289.299	-0.789	20	30		CBEDLN
Cn1c(=O)[nH]c(N[C@@H](C(N)=O)c2ccccc2)c(C#N)c1=O	ZINC001412871536	904775959	/nfs/dbraw/zinc/77/59/59/904775959.db2.gz	WVQSRPFUMVDFSW-SNVBAGLBSA-N	0	2	299.290	-0.416	20	30		CBEDLN
CCC(=O)N1CC[C@H](Nc2[nH]c(=O)n(C)c(=O)c2C#N)C1	ZINC001412880462	904780481	/nfs/dbraw/zinc/78/04/81/904780481.db2.gz	NGZWVBOTSQJCOY-QMMMGPOBSA-N	0	2	291.311	-0.632	20	30		CBEDLN
Cn1c(=O)[nH]c(NCc2ccc(=O)[nH]n2)c(C#N)c1=O	ZINC001412899505	904787946	/nfs/dbraw/zinc/78/79/46/904787946.db2.gz	SIKVWPNCJRCQEI-UHFFFAOYSA-N	0	2	274.240	-0.947	20	30		CBEDLN
CCCn1cc(CNc2[nH]c(=O)n(C)c(=O)c2C#N)nn1	ZINC001412907797	904791117	/nfs/dbraw/zinc/79/11/17/904791117.db2.gz	YKFGZGDXPCGDIO-UHFFFAOYSA-N	0	2	289.299	-0.441	20	30		CBEDLN
Cc1n[nH]c(CNc2[nH]c(=O)n(C)c(=O)c2C#N)c1C	ZINC001413913581	905269272	/nfs/dbraw/zinc/26/92/72/905269272.db2.gz	CYFUBYSWAJEIOF-UHFFFAOYSA-N	0	2	274.284	-0.103	20	30		CBEDLN
CS(=O)(=O)Cc1nnc(CNc2ncncc2C#N)[nH]1	ZINC001413917730	905270784	/nfs/dbraw/zinc/27/07/84/905270784.db2.gz	GAIFUGFSUPOLDV-UHFFFAOYSA-N	0	2	293.312	-0.955	20	30		CBEDLN
C[N@H+](CCNC(=O)c1cc(C#N)c[nH]1)Cc1n[nH]c(=O)[n-]1	ZINC001418451669	906337592	/nfs/dbraw/zinc/33/75/92/906337592.db2.gz	RDWUMKUDUBHORZ-UHFFFAOYSA-N	0	2	289.299	-0.428	20	30		CBEDLN
C[N@@H+](CCNC(=O)c1cc(C#N)c[nH]1)Cc1n[nH]c(=O)[n-]1	ZINC001418451669	906337605	/nfs/dbraw/zinc/33/76/05/906337605.db2.gz	RDWUMKUDUBHORZ-UHFFFAOYSA-N	0	2	289.299	-0.428	20	30		CBEDLN
Cn1c(=O)[nH]c(NCC[S@@](=O)C(C)(C)C)c(C#N)c1=O	ZINC001421079258	907419589	/nfs/dbraw/zinc/41/95/89/907419589.db2.gz	DSYQOXXHMIMJBE-HXUWFJFHSA-N	0	2	298.368	-0.096	20	30		CBEDLN
C[C@@H]1CCC[C@@]1(O)CNc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001421124611	907437273	/nfs/dbraw/zinc/43/72/73/907437273.db2.gz	SADMQJHAARHPDW-AMIZOPFISA-N	0	2	278.312	-0.092	20	30		CBEDLN
CC#CCN1CC(CCO)(NC(=O)Cc2[nH]c[nH+]c2C)C1	ZINC001506137356	921554964	/nfs/dbraw/zinc/55/49/64/921554964.db2.gz	VGWPLUDDMYLPFP-UHFFFAOYSA-N	0	2	290.367	-0.163	20	30		CBEDLN
CCO[C@@H]1COCC[C@H]1Nc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001434444138	910189705	/nfs/dbraw/zinc/18/97/05/910189705.db2.gz	DKLKXMNWJAUYMJ-NXEZZACHSA-N	0	2	294.311	-0.449	20	30		CBEDLN
COCCN(CC#N)C(=O)C[C@H]1SC(=N)NC1=O	ZINC001468722191	915325219	/nfs/dbraw/zinc/32/52/19/915325219.db2.gz	VOXRKUDWARRQPT-SSDOTTSWSA-N	0	2	270.314	-0.459	20	30		CBEDLN
Cn1c(=O)[nH]c(N[C@H](CO)C2CC2)c(C#N)c1=O	ZINC001472701018	915759657	/nfs/dbraw/zinc/75/96/57/915759657.db2.gz	ZMXDUBGWPDLSPA-MRVPVSSYSA-N	0	2	250.258	-0.872	20	30		CBEDLN
COC(=O)[C@@H](CC1CC1)Nc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001472808658	915768134	/nfs/dbraw/zinc/76/81/34/915768134.db2.gz	WXGQNIHVZYHTBI-SECBINFHSA-N	0	2	292.295	-0.301	20	30		CBEDLN
COC(=O)[C@H](CC1CC1)Nc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001472808661	915769324	/nfs/dbraw/zinc/76/93/24/915769324.db2.gz	WXGQNIHVZYHTBI-VIFPVBQESA-N	0	2	292.295	-0.301	20	30		CBEDLN
CC[C@@H](C[C@H](C)O)Nc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001472859367	915773629	/nfs/dbraw/zinc/77/36/29/915773629.db2.gz	XJQVUSVEARRWEK-YUMQZZPRSA-N	0	2	266.301	-0.093	20	30		CBEDLN
C[C@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)C(C)(C)O	ZINC001472899167	915779927	/nfs/dbraw/zinc/77/99/27/915779927.db2.gz	SQUHEBRGIAFDKD-LURJTMIESA-N	0	2	252.274	-0.483	20	30		CBEDLN
C=C(C)CNC(=O)NCc1nnc(CS(C)(=O)=O)[nH]1	ZINC001479428875	916130487	/nfs/dbraw/zinc/13/04/87/916130487.db2.gz	PQLMUWHYDNFJBP-UHFFFAOYSA-N	0	2	287.345	-0.275	20	30		CBEDLN
C#CCO[C@@H](C)C(=O)NC[C@H]1CCN1Cc1n[nH]c(=O)[nH]1	ZINC001483649930	917621165	/nfs/dbraw/zinc/62/11/65/917621165.db2.gz	PGVLGRXWYBLYQO-VHSXEESVSA-N	0	2	293.327	-0.761	20	30		CBEDLN
N#CCN1CC[C@@](O)(CNC(=O)C(F)C(F)(F)F)C1	ZINC001484220055	917774768	/nfs/dbraw/zinc/77/47/68/917774768.db2.gz	MSSBXOJKXMNHRA-IONNQARKSA-N	0	2	283.225	-0.037	20	30		CBEDLN
N#CCN1CC[C@@](O)(CNC(=O)[C@H](F)C(F)(F)F)C1	ZINC001484220055	917774774	/nfs/dbraw/zinc/77/47/74/917774774.db2.gz	MSSBXOJKXMNHRA-IONNQARKSA-N	0	2	283.225	-0.037	20	30		CBEDLN
C#CCOCCC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[nH]2)C1	ZINC001490538801	918930394	/nfs/dbraw/zinc/93/03/94/918930394.db2.gz	DAZYIQYXQYTNGA-JTQLQIEISA-N	0	2	293.327	-0.759	20	30		CBEDLN
CC(C)(NC(=O)C(F)(F)F)C(=O)NC1CN(CC#N)C1	ZINC001494503026	919715157	/nfs/dbraw/zinc/71/51/57/919715157.db2.gz	UFSUXMSLGGANPV-UHFFFAOYSA-N	0	2	292.261	-0.233	20	30		CBEDLN
C=CCC[C@H](CO)NC(=O)C[C@@H]1SC(=N)NC1=O	ZINC001556585684	924068995	/nfs/dbraw/zinc/06/89/95/924068995.db2.gz	BPVSPVQVZWINEW-SFYZADRCSA-N	0	2	271.342	-0.014	20	30		CBEDLN
COCC#CC(=O)N[C@@H](Cn1ccnc1)C(=O)OC	ZINC001558969417	924207704	/nfs/dbraw/zinc/20/77/04/924207704.db2.gz	FLVODOLHMHQZDB-JTQLQIEISA-N	0	2	265.269	-0.809	20	30		CBEDLN
C#CC[C@@H](CO)NC(=O)c1ccc2c(c1)C(=O)NC2=O	ZINC001558991050	924208894	/nfs/dbraw/zinc/20/88/94/924208894.db2.gz	DLWIFMUNEFMPLA-VIFPVBQESA-N	0	2	272.260	-0.316	20	30		CBEDLN
C#CCC1(O)CCN(c2[nH]c(=O)n(C)c(=O)c2C#N)CC1	ZINC001559265030	924217010	/nfs/dbraw/zinc/21/70/10/924217010.db2.gz	BPNNFVBOGMLRLQ-UHFFFAOYSA-N	0	2	288.307	-0.700	20	30		CBEDLN
O=C(NC1=NC(=O)CN1)c1ccc(-n2cnnn2)cc1	ZINC000056214210	351547122	/nfs/dbraw/zinc/54/71/22/351547122.db2.gz	ZRGTUVQWYSDMLQ-UHFFFAOYSA-N	0	2	271.240	-0.547	20	30		CBEDLN
Cn1cccc(N=C([O-])N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)c1=O	ZINC000329947975	352800241	/nfs/dbraw/zinc/80/02/41/352800241.db2.gz	YRPHXPLRUMTNBW-VXGBXAGGSA-N	0	2	292.339	-0.054	20	30		CBEDLN
Cn1cccc(N=C([O-])N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)c1=O	ZINC000329947975	352800245	/nfs/dbraw/zinc/80/02/45/352800245.db2.gz	YRPHXPLRUMTNBW-VXGBXAGGSA-N	0	2	292.339	-0.054	20	30		CBEDLN
N#CCNC(=O)CN1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1	ZINC000344059762	353303231	/nfs/dbraw/zinc/30/32/31/353303231.db2.gz	CKULUQJKHOSIBS-MRVPVSSYSA-N	0	2	264.289	-0.671	20	30		CBEDLN
Cn1ncc2c1[nH]cc(C(=O)N1CC(O)(CC#N)C1)c2=O	ZINC000356555843	353598801	/nfs/dbraw/zinc/59/88/01/353598801.db2.gz	PLQXDJZSNOOQCL-UHFFFAOYSA-N	0	2	287.279	-0.226	20	30		CBEDLN
CCOC(=O)NCC(=O)Nc1nc(C#N)c(C#N)[nH]1	ZINC000490787788	354447227	/nfs/dbraw/zinc/44/72/27/354447227.db2.gz	PCXLFVVCRLVLJZ-UHFFFAOYSA-N	0	2	262.229	-0.162	20	30		CBEDLN
C=CCN1CC[C@H]([N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C1=O	ZINC000519426532	354561439	/nfs/dbraw/zinc/56/14/39/354561439.db2.gz	LJKXCRJPULGDOF-WOPDTQHZSA-N	0	2	278.356	-0.983	20	30		CBEDLN
CCCc1noc(Cn2c(=O)[nH]cc(C#N)c2=O)n1	ZINC000572879524	354899769	/nfs/dbraw/zinc/89/97/69/354899769.db2.gz	LJQCNRNYGGCYOA-UHFFFAOYSA-N	0	2	261.241	-0.208	20	30		CBEDLN
C[C@@](C#N)(NC(=O)Cn1c(=O)[nH]cc(C#N)c1=O)C1CC1	ZINC000579836557	354980952	/nfs/dbraw/zinc/98/09/52/354980952.db2.gz	MUDAQOUYMAEYMS-ZDUSSCGKSA-N	0	2	287.279	-0.783	20	30		CBEDLN
CO[C@@H](Cn1c(=O)[nH]cc(C#N)c1=O)[C@H]1CCOC1	ZINC000594915372	355268934	/nfs/dbraw/zinc/26/89/34/355268934.db2.gz	ZKCPGWOXQUHDEF-WPRPVWTQSA-N	0	2	265.269	-0.540	20	30		CBEDLN
CCCn1c(C)nnc1Cn1c(=O)[nH]cc(C#N)c1=O	ZINC000516467586	373811719	/nfs/dbraw/zinc/81/17/19/373811719.db2.gz	PBANNKABMBLETE-UHFFFAOYSA-N	0	2	274.284	-0.234	20	30		CBEDLN
N#Cc1c[nH]c(=O)n(Cc2ncnn2CC(F)F)c1=O	ZINC000577869510	374342548	/nfs/dbraw/zinc/34/25/48/374342548.db2.gz	NSOGXNPORLFTSC-UHFFFAOYSA-N	0	2	282.210	-0.687	20	30		CBEDLN
CCCCn1nnnc1Cn1c(=O)[nH]cc(C#N)c1=O	ZINC000574691549	335040255	/nfs/dbraw/zinc/04/02/55/335040255.db2.gz	ZYUQRCMGWVPURU-UHFFFAOYSA-N	0	2	275.272	-0.757	20	30		CBEDLN
C=CCNC(=O)NC(=O)C[N@H+]1CCCC[C@@H]1C(=O)[O-]	ZINC000035299309	172113179	/nfs/dbraw/zinc/11/31/79/172113179.db2.gz	GMOJUFUOPHFMIW-SECBINFHSA-N	0	2	269.301	-0.063	20	30		CBEDLN
C=CCNC(=O)NC(=O)C[N@@H+]1CCCC[C@@H]1C(=O)[O-]	ZINC000035299309	172113181	/nfs/dbraw/zinc/11/31/81/172113181.db2.gz	GMOJUFUOPHFMIW-SECBINFHSA-N	0	2	269.301	-0.063	20	30		CBEDLN
N#Cc1c[nH]c(=O)n(Cc2cn(CC3CC3)nn2)c1=O	ZINC000518374107	420380005	/nfs/dbraw/zinc/38/00/05/420380005.db2.gz	UBVNDKYZXOAPOM-UHFFFAOYSA-N	0	2	272.268	-0.542	20	30		CBEDLN
C#CCN(CC#C)S(=O)(=O)NCC(F)(F)F	ZINC000491440438	332212072	/nfs/dbraw/zinc/21/20/72/332212072.db2.gz	PGYHWWVKKBKEFH-UHFFFAOYSA-N	0	2	254.233	-0.049	20	30		CBEDLN
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C#CC[NH+]1CCN(C(=O)CCSCC(=O)[O-])CC1	ZINC000736078520	582195271	/nfs/dbraw/zinc/19/52/71/582195271.db2.gz	ARYQHRPXDZOFIS-UHFFFAOYSA-N	0	2	270.354	-0.028	20	30		CBEDLN
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C#CC(C)(C)NC(=O)Cn1[nH]cc2c(=O)ncnc1-2	ZINC000733976629	582167155	/nfs/dbraw/zinc/16/71/55/582167155.db2.gz	MODKANGFCYBLOJ-UHFFFAOYSA-N	0	2	259.269	-0.401	20	30		CBEDLN
Cn1cc(S(=O)(=O)NC(=O)c2ccc(C#N)nc2)cn1	ZINC000734705772	582172616	/nfs/dbraw/zinc/17/26/16/582172616.db2.gz	FOWOTKZPXIXMKJ-UHFFFAOYSA-N	0	2	291.292	-0.195	20	30		CBEDLN
C=CCOCC(=O)N(CC[NH+]1CCOCC1)CC(=O)[O-]	ZINC000736109669	582197711	/nfs/dbraw/zinc/19/77/11/582197711.db2.gz	VXISNXHZBGRAOQ-UHFFFAOYSA-N	0	2	286.328	-0.566	20	30		CBEDLN
CC(C)[C@@H](C#N)N1CC[NH+]([C@H](C)C(=O)NCC(=O)[O-])CC1	ZINC000736348569	582204791	/nfs/dbraw/zinc/20/47/91/582204791.db2.gz	ZHGAQMXONYTPMK-VXGBXAGGSA-N	0	2	296.371	-0.259	20	30		CBEDLN
CCC[N@H+](C)CC(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1	ZINC000736472888	582208298	/nfs/dbraw/zinc/20/82/98/582208298.db2.gz	VOLPBYDQAUZWQF-UHFFFAOYSA-N	0	2	289.303	-0.258	20	30		CBEDLN
CCC[N@@H+](C)CC(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1	ZINC000736472888	582208299	/nfs/dbraw/zinc/20/82/99/582208299.db2.gz	VOLPBYDQAUZWQF-UHFFFAOYSA-N	0	2	289.303	-0.258	20	30		CBEDLN
CCN(CCC#N)C(=O)C[N@@H+]1CCO[C@@H](C(=O)[O-])C1	ZINC000737094163	582233796	/nfs/dbraw/zinc/23/37/96/582233796.db2.gz	KHQZLCYUWHVURQ-SNVBAGLBSA-N	0	2	269.301	-0.466	20	30		CBEDLN
CCN(CCC#N)C(=O)C[N@H+]1CCO[C@@H](C(=O)[O-])C1	ZINC000737094163	582233798	/nfs/dbraw/zinc/23/37/98/582233798.db2.gz	KHQZLCYUWHVURQ-SNVBAGLBSA-N	0	2	269.301	-0.466	20	30		CBEDLN
CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1C[C@H](O)C[C@H]1C(=O)[O-]	ZINC000737079203	582233866	/nfs/dbraw/zinc/23/38/66/582233866.db2.gz	ZCKNHHJSOBBGOW-AXFHLTTASA-N	0	2	283.328	-0.486	20	30		CBEDLN
CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1C[C@H](O)C[C@H]1C(=O)[O-]	ZINC000737079203	582233867	/nfs/dbraw/zinc/23/38/67/582233867.db2.gz	ZCKNHHJSOBBGOW-AXFHLTTASA-N	0	2	283.328	-0.486	20	30		CBEDLN
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C#CCN1CCN(C(=O)C[C@@H]2SC(=N)NC2=O)CC1	ZINC000742671705	582274719	/nfs/dbraw/zinc/27/47/19/582274719.db2.gz	XCRPKIWWCOXQMD-VIFPVBQESA-N	0	2	280.353	-0.680	20	30		CBEDLN
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C#C[C@H](C)N(C)C(=O)Cn1[nH]cc2c(=O)ncnc1-2	ZINC000767231848	582332011	/nfs/dbraw/zinc/33/20/11/582332011.db2.gz	IRVQJQIETXUKIG-QMMMGPOBSA-N	0	2	259.269	-0.449	20	30		CBEDLN
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CC1(C#N)CN(C(=O)C[C@H]2SC(=N)NC2=O)C1	ZINC000797760657	582413871	/nfs/dbraw/zinc/41/38/71/582413871.db2.gz	AFFKXWQRMKCCKZ-ZCFIWIBFSA-N	0	2	252.299	-0.085	20	30		CBEDLN
C#C[C@H](NC(=O)Cn1[nH]cc2c(=O)ncnc1-2)C(C)C	ZINC000799046935	582417611	/nfs/dbraw/zinc/41/76/11/582417611.db2.gz	UWAJXBXNDDDWIS-JTQLQIEISA-N	0	2	273.296	-0.155	20	30		CBEDLN
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O=C1NC(=O)C(=NNCCCOc2ccccc2)C(=O)N1	ZINC000814221323	582456051	/nfs/dbraw/zinc/45/60/51/582456051.db2.gz	AHWUAGXQOQVKAC-UHFFFAOYSA-N	0	2	290.279	-0.233	20	30		CBEDLN
O=C1NC(=O)C(=NNC(=S)Nc2cccnc2)C(=O)N1	ZINC000814213801	582456075	/nfs/dbraw/zinc/45/60/75/582456075.db2.gz	ULAGGBWBWMGLCU-UHFFFAOYSA-N	0	2	292.280	-0.910	20	30		CBEDLN
Cn1c2ccccc2[nH]c1=NN=C1C(=O)NC(=O)NC1=O	ZINC000814217688	582456097	/nfs/dbraw/zinc/45/60/97/582456097.db2.gz	DWYNKNXTPXXTPR-UHFFFAOYSA-N	0	2	286.251	-0.293	20	30		CBEDLN
COc1cccc(NN=C2C(=O)NC(=O)NC2=O)n1	ZINC000814227195	582456227	/nfs/dbraw/zinc/45/62/27/582456227.db2.gz	RYFXLKBAVFSVCN-UHFFFAOYSA-N	0	2	263.213	-0.776	20	30		CBEDLN
CON=CC(=O)N1CCC(c2n[nH]c(=O)[nH]2)CC1	ZINC000816471510	582476280	/nfs/dbraw/zinc/47/62/80/582476280.db2.gz	HBCFSVVJUJUDEP-UHFFFAOYSA-N	0	2	253.262	-0.152	20	30		CBEDLN
CON=CC(=O)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1	ZINC000816541163	582476945	/nfs/dbraw/zinc/47/69/45/582476945.db2.gz	DZWLNVWFBOANDC-SSDOTTSWSA-N	0	2	253.262	-0.152	20	30		CBEDLN
Cc1cc(C(N)=[NH+]OCC(=O)NCC(=O)[O-])ccc1F	ZINC000820963601	582587927	/nfs/dbraw/zinc/58/79/27/582587927.db2.gz	FLUYHDFXUCSDPB-UHFFFAOYSA-N	0	2	283.259	-0.028	20	30		CBEDLN
NC(=[NH+]OCC(=O)NCC(=O)[O-])c1ccc2c(c1)CCO2	ZINC000821345332	582599962	/nfs/dbraw/zinc/59/99/62/582599962.db2.gz	WWBSBRLCYDTWBQ-UHFFFAOYSA-N	0	2	293.279	-0.541	20	30		CBEDLN
C#CC[NH+]1CCN(C(=O)C[C@H](C)NC(=O)[O-])CC1	ZINC000823451262	582669484	/nfs/dbraw/zinc/66/94/84/582669484.db2.gz	RBEUSKCFPWHAFS-JTQLQIEISA-N	0	2	253.302	-0.190	20	30		CBEDLN
C#CCNC(=O)C[N@H+]1CCN(C(=O)[O-])CC1(C)C	ZINC000823457359	582669887	/nfs/dbraw/zinc/66/98/87/582669887.db2.gz	YILQWWHJKZJEOF-UHFFFAOYSA-N	0	2	253.302	-0.190	20	30		CBEDLN
C#CCNC(=O)C[N@@H+]1CCN(C(=O)[O-])CC1(C)C	ZINC000823457359	582669888	/nfs/dbraw/zinc/66/98/88/582669888.db2.gz	YILQWWHJKZJEOF-UHFFFAOYSA-N	0	2	253.302	-0.190	20	30		CBEDLN
C=CCCC(=O)Cn1c(=O)c(-c2nn[nH]n2)cn(C)c1=O	ZINC000823888330	582681994	/nfs/dbraw/zinc/68/19/94/582681994.db2.gz	JABDRPXTJILHAL-UHFFFAOYSA-N	0	2	290.283	-0.738	20	30		CBEDLN
N#CCNC(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-]	ZINC000831102321	582957754	/nfs/dbraw/zinc/95/77/54/582957754.db2.gz	GMUUDSNVLITVHW-ZJUUUORDSA-N	0	2	266.301	-0.157	20	30		CBEDLN
N#CCNC(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-]	ZINC000831102321	582957758	/nfs/dbraw/zinc/95/77/58/582957758.db2.gz	GMUUDSNVLITVHW-ZJUUUORDSA-N	0	2	266.301	-0.157	20	30		CBEDLN
C#CCN(CC(=O)NCC(=O)NOC)C(=O)OC(C)(C)C	ZINC000832744872	583042559	/nfs/dbraw/zinc/04/25/59/583042559.db2.gz	KRCNONCLLPFTLU-UHFFFAOYSA-N	0	2	299.327	-0.350	20	30		CBEDLN
C=CCNC(=O)C[N@H+]1CC[C@@H](C(=O)OC)C[C@H]1C(=O)[O-]	ZINC000833377070	583065136	/nfs/dbraw/zinc/06/51/36/583065136.db2.gz	LHZSSOOGZUNLNL-ZJUUUORDSA-N	0	2	284.312	-0.373	20	30		CBEDLN
C=CCNC(=O)C[N@@H+]1CC[C@@H](C(=O)OC)C[C@H]1C(=O)[O-]	ZINC000833377070	583065137	/nfs/dbraw/zinc/06/51/37/583065137.db2.gz	LHZSSOOGZUNLNL-ZJUUUORDSA-N	0	2	284.312	-0.373	20	30		CBEDLN
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C=CC[N@H+](CCNC(=O)[O-])[C@H]1CCS(=O)(=O)C1	ZINC000833788013	583083568	/nfs/dbraw/zinc/08/35/68/583083568.db2.gz	KJTMHRJNEJCGPC-VIFPVBQESA-N	0	2	262.331	-0.071	20	30		CBEDLN
CCS(=O)(=O)CC[NH2+][C@H]1CN(C(=O)[O-])C[C@@H]1C#N	ZINC000833863053	583088031	/nfs/dbraw/zinc/08/80/31/583088031.db2.gz	GCOXEYIRZYCLQV-IUCAKERBSA-N	0	2	275.330	-0.487	20	30		CBEDLN
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C#CCNC(=O)C[N@@H+]1C[C@@H](C)N(C(=O)[O-])[C@@H](C)C1	ZINC000738463068	602840039	/nfs/dbraw/zinc/84/00/39/602840039.db2.gz	LUYYIFFFMWHZSU-AOOOYVTPSA-N	0	2	253.302	-0.192	20	30		CBEDLN
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C=CC[NH+]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1	ZINC000949111372	613719164	/nfs/dbraw/zinc/71/91/64/613719164.db2.gz	QXISTGNWNYFCIS-UHFFFAOYSA-N	0	2	265.273	-0.773	20	30		CBEDLN
CCOC(=O)Cn1cnc(=NC(=O)NCCC#N)[nH]1	ZINC000425717212	656168295	/nfs/dbraw/zinc/16/82/95/656168295.db2.gz	VQHNDMOIKZOBPG-UHFFFAOYSA-N	0	2	266.261	-0.702	20	30		CBEDLN
C=CCOC[C@@H](NC(=O)Cn1cc[nH+]c1)C(=O)[O-]	ZINC000909770068	656832438	/nfs/dbraw/zinc/83/24/38/656832438.db2.gz	HOAWZLGJCJTEND-SECBINFHSA-N	0	2	253.258	-0.345	20	30		CBEDLN
COC(=O)c1cccc(NN=C2C(=O)NC(=O)NC2=O)c1	ZINC000916625495	657783279	/nfs/dbraw/zinc/78/32/79/657783279.db2.gz	HQOBYZMDCHLLTR-UHFFFAOYSA-N	0	2	290.235	-0.393	20	30		CBEDLN
N#C[C@@]12C[N@H+]([C@H](C(=O)[O-])C3CC3)C[C@@H]1CS(=O)(=O)C2	ZINC000923273051	658189777	/nfs/dbraw/zinc/18/97/77/658189777.db2.gz	RHENWSXLXLDANH-SCVCMEIPSA-N	0	2	284.337	-0.280	20	30		CBEDLN
N#C[C@@]12C[N@@H+]([C@H](C(=O)[O-])C3CC3)C[C@@H]1CS(=O)(=O)C2	ZINC000923273051	658189785	/nfs/dbraw/zinc/18/97/85/658189785.db2.gz	RHENWSXLXLDANH-SCVCMEIPSA-N	0	2	284.337	-0.280	20	30		CBEDLN
C#CC[N@H+]1CCC[C@@H](NC(=O)C2C[NH+]([C@H]3CCOC3)C2)C1	ZINC000923551652	658317073	/nfs/dbraw/zinc/31/70/73/658317073.db2.gz	CANMKBWJVIXLNA-CABCVRRESA-N	0	2	291.395	-0.079	20	30		CBEDLN
CC#CC[N@H+]1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@@H](O)C1	ZINC001083410002	806309237	/nfs/dbraw/zinc/30/92/37/806309237.db2.gz	PYEAYHDJXUIMBG-ZJUUUORDSA-N	0	2	278.312	-0.778	20	30		CBEDLN
CC#CC[N@@H+]1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@@H](O)C1	ZINC001083410002	806309247	/nfs/dbraw/zinc/30/92/47/806309247.db2.gz	PYEAYHDJXUIMBG-ZJUUUORDSA-N	0	2	278.312	-0.778	20	30		CBEDLN
C#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1	ZINC001028329186	799122693	/nfs/dbraw/zinc/12/26/93/799122693.db2.gz	HXTPRLQEWRDBEI-KGLIPLIRSA-N	0	2	279.384	-0.079	20	30		CBEDLN
CC#CC[NH+]1CC(N(C)C(=O)c2cnc([O-])n(C)c2=O)C1	ZINC001043511240	801569013	/nfs/dbraw/zinc/56/90/13/801569013.db2.gz	STQMEBVXGHHRMT-UHFFFAOYSA-N	0	2	290.323	-0.735	20	30		CBEDLN
N#C[C@@H]1CNCCN1C(=O)c1c[nH]c2cccnc2c1=O	ZINC001153855949	815181294	/nfs/dbraw/zinc/18/12/94/815181294.db2.gz	FVBUCXQGTAHTQP-SECBINFHSA-N	0	2	283.291	-0.139	20	30		CBEDLN
C=CCCC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[nH]2)C[C@H]1O	ZINC001099727403	810920663	/nfs/dbraw/zinc/92/06/63/810920663.db2.gz	OSCIOAILXGVPNI-VHSXEESVSA-N	0	2	295.343	-0.472	20	30		CBEDLN
N#CCSCC(=O)N1CCN(Cc2n[nH]c(=O)[nH]2)CC1	ZINC001112628799	811573789	/nfs/dbraw/zinc/57/37/89/811573789.db2.gz	ABOPDPWOYXUIIX-UHFFFAOYSA-N	0	2	296.356	-0.589	20	30		CBEDLN
N#C[C@@H]1CN(C(=O)C[C@H]2SC(=N)NC2=O)CCO1	ZINC001116134138	812224515	/nfs/dbraw/zinc/22/45/15/812224515.db2.gz	YMJRPWGMYGVTPJ-RNFRBKRXSA-N	0	2	268.298	-0.706	20	30		CBEDLN
CCOC[C@H](C)Nc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001120836676	813022134	/nfs/dbraw/zinc/02/21/34/813022134.db2.gz	QLCRXRHGMJKZRU-ZETCQYMHSA-N	0	2	252.274	-0.218	20	30		CBEDLN
C[C@H]1C[C@@H](Nc2[nH]c(=O)n(C)c(=O)c2C#N)CO1	ZINC001120857757	813023607	/nfs/dbraw/zinc/02/36/07/813023607.db2.gz	LNMHQKJAULSNBN-NKWVEPMBSA-N	0	2	250.258	-0.465	20	30		CBEDLN
Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)[C@@H]1CCC(=O)N1C	ZINC001122815273	813190873	/nfs/dbraw/zinc/19/08/73/813190873.db2.gz	BAKWVJYPWNPJQD-IUCAKERBSA-N	0	2	274.280	-0.068	20	30		CBEDLN
C=C(C)C(=O)NCCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-]	ZINC001142518350	814715287	/nfs/dbraw/zinc/71/52/87/814715287.db2.gz	YNAVFDPFDXXMOH-JTQLQIEISA-N	0	2	294.311	-0.396	20	30		CBEDLN
C=C(C)C(=O)NCCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-]	ZINC001142518350	814715296	/nfs/dbraw/zinc/71/52/96/814715296.db2.gz	YNAVFDPFDXXMOH-JTQLQIEISA-N	0	2	294.311	-0.396	20	30		CBEDLN
N#Cc1c(Cl)ncnc1Nc1c(O)[nH]c(=O)[nH]c1=S	ZINC001160847201	815677900	/nfs/dbraw/zinc/67/79/00/815677900.db2.gz	BNVBZDPQNYOXIU-SCSAIBSYSA-N	0	2	296.699	-0.051	20	30		CBEDLN
N#Cc1cnc(Nc2c(O)[nH]c(=O)[nH]c2=S)c(C#N)c1	ZINC001160848464	815678968	/nfs/dbraw/zinc/67/89/68/815678968.db2.gz	KCVQPRWFPJECPG-SSDOTTSWSA-N	0	2	286.276	-0.228	20	30		CBEDLN
Cn1c(=O)[nH]c(NCC2(C)OCCO2)c(C#N)c1=O	ZINC001162828417	815844827	/nfs/dbraw/zinc/84/48/27/815844827.db2.gz	TVIKBBLLMJDHIX-UHFFFAOYSA-N	0	2	266.257	-0.880	20	30		CBEDLN
Cn1c(=O)[nH]c(NCCCO[C@@H]2CCOC2)c(C#N)c1=O	ZINC001306998527	816795062	/nfs/dbraw/zinc/79/50/62/816795062.db2.gz	AXOQMDKTWCPRBD-SECBINFHSA-N	0	2	294.311	-0.447	20	30		CBEDLN
CNC(=O)C[C@@H]1S/C(=N/[C@@H](C)COC)NC1=O	ZINC001317818102	817050514	/nfs/dbraw/zinc/05/05/14/817050514.db2.gz	KJIXTDPILYWWRJ-BQBZGAKWSA-N	0	2	259.331	-0.255	20	30		CBEDLN
C[C@@H](C#N)CNC(=O)Cn1[nH]cc2c(=O)ncnc1-2	ZINC001318397341	817106728	/nfs/dbraw/zinc/10/67/28/817106728.db2.gz	FZZIJZCRBWBJRF-ZETCQYMHSA-N	0	2	260.257	-0.653	20	30		CBEDLN
CC[C@H](C#N)NC(=O)Cn1[nH]cc2c(=O)ncnc1-2	ZINC001320558355	817353946	/nfs/dbraw/zinc/35/39/46/817353946.db2.gz	XNULLCBOAOVPEP-SSDOTTSWSA-N	0	2	260.257	-0.510	20	30		CBEDLN
C[C@@H]1CC[C@H](O)CN1c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001163984223	819877245	/nfs/dbraw/zinc/87/72/45/819877245.db2.gz	SEZHLGHCMVRQSJ-SFYZADRCSA-N	0	2	264.285	-0.705	20	30		CBEDLN
COCCOC(=O)N(C)Cn1c(=O)[nH]cc(C#N)c1=O	ZINC001166383410	819998221	/nfs/dbraw/zinc/99/82/21/819998221.db2.gz	KEVJDISHUKBCTQ-UHFFFAOYSA-N	0	2	282.256	-0.919	20	30		CBEDLN
N#Cc1cc(CC(=O)NCc2n[nH]c(=O)[nH]2)ccn1	ZINC001177672385	820531309	/nfs/dbraw/zinc/53/13/09/820531309.db2.gz	HJPUWSGKGZHRCZ-UHFFFAOYSA-N	0	2	258.241	-0.364	20	30		CBEDLN
N#Cc1c(N)nn(C(O)=C(CO)C(F)(F)F)c1N	ZINC001183280019	820987622	/nfs/dbraw/zinc/98/76/22/820987622.db2.gz	OYQZLJGGDHDQDQ-BYPYZUCNSA-N	0	2	263.179	-0.270	20	30		CBEDLN
C[C@@H](CCO)N(C)c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001186888077	821203768	/nfs/dbraw/zinc/20/37/68/821203768.db2.gz	GRVBVJWGJPTRCQ-ZETCQYMHSA-N	0	2	252.274	-0.848	20	30		CBEDLN
CCOC(=O)C(C#N)NS(=O)(=O)c1c[nH]cn1	ZINC001187786044	822296153	/nfs/dbraw/zinc/29/61/53/822296153.db2.gz	MWXXDKHXAGHPFP-ZCFIWIBFSA-N	0	2	258.259	-0.857	20	30		CBEDLN
CCOC(=O)[C@@H](C#N)NS(=O)(=O)c1c[nH]cn1	ZINC001187786044	822296159	/nfs/dbraw/zinc/29/61/59/822296159.db2.gz	MWXXDKHXAGHPFP-ZCFIWIBFSA-N	0	2	258.259	-0.857	20	30		CBEDLN
COC(=O)CCS(=O)(=O)Nc1ncc(C#N)nc1C	ZINC001188353398	822331916	/nfs/dbraw/zinc/33/19/16/822331916.db2.gz	WWQIWAHMLLJGPJ-UHFFFAOYSA-N	0	2	284.297	-0.039	20	30		CBEDLN
N#C[C@H]1CN(S(=O)(=O)c2ncc[nH]2)CCC1=O	ZINC001190706882	823840591	/nfs/dbraw/zinc/84/05/91/823840591.db2.gz	CMNSIBCLRHBHRE-ZETCQYMHSA-N	0	2	254.271	-0.487	20	30		CBEDLN
N#CC1CN(S(=O)(=O)c2ncc[nH]2)CCC1=O	ZINC001190706882	823840598	/nfs/dbraw/zinc/84/05/98/823840598.db2.gz	CMNSIBCLRHBHRE-ZETCQYMHSA-N	0	2	254.271	-0.487	20	30		CBEDLN
C[C@@H](C#N)S(=O)(=O)Nc1cncc(C(N)=O)c1	ZINC001193105409	824004254	/nfs/dbraw/zinc/00/42/54/824004254.db2.gz	VYBSDGOIQOBMLC-LURJTMIESA-N	0	2	254.271	-0.166	20	30		CBEDLN
CCOC(=O)C(NS(=O)(=O)[C@H](C)C#N)=C(C)O	ZINC001193171140	824011388	/nfs/dbraw/zinc/01/13/88/824011388.db2.gz	ZUCMVWUBLJWEDA-HTRCEHHLSA-N	0	2	262.287	-0.661	20	30		CBEDLN
N#C[C@@H]1CN(S(=O)(=O)C[C@@H]2CCCO2)CCC1=O	ZINC001193237935	824016138	/nfs/dbraw/zinc/01/61/38/824016138.db2.gz	NDSBAJADWITQFP-ZJUUUORDSA-N	0	2	272.326	-0.090	20	30		CBEDLN
N#Cc1cc(C(=O)n2cc(N)c(=O)nc2N)ccc1O	ZINC001193518852	824031553	/nfs/dbraw/zinc/03/15/53/824031553.db2.gz	HYLCRSYEAXOROK-UHFFFAOYSA-N	0	2	271.236	-0.084	20	30		CBEDLN
CCOC(=O)[C@@H](C#N)NS(=O)(=O)c1cccnc1OC	ZINC001194738423	824088531	/nfs/dbraw/zinc/08/85/31/824088531.db2.gz	DSLMGFLFZCQACG-MRVPVSSYSA-N	0	2	299.308	-0.176	20	30		CBEDLN
C=CC(C)(C)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[nH]2)C[C@H]1O	ZINC001195307336	824110350	/nfs/dbraw/zinc/11/03/50/824110350.db2.gz	SXJMHUVUQSBCSV-RKDXNWHRSA-N	0	2	295.343	-0.616	20	30		CBEDLN
CCOC(=O)[C@@H](C#N)NS(=O)(=O)c1ccc(OC)nc1	ZINC001195748023	824130713	/nfs/dbraw/zinc/13/07/13/824130713.db2.gz	HHCRFDXADUNNEK-SECBINFHSA-N	0	2	299.308	-0.176	20	30		CBEDLN
N#C[C@@H](NS(=O)(=O)Cc1c(F)cccc1F)C(N)=O	ZINC001197623257	824197743	/nfs/dbraw/zinc/19/77/43/824197743.db2.gz	YTAXCLITSIBFMG-SECBINFHSA-N	0	2	289.263	-0.238	20	30		CBEDLN
CC(C)(C)OC[C@H]([NH3+])C(=O)N([O-])C(=N)c1nonc1N	ZINC001218518744	824581542	/nfs/dbraw/zinc/58/15/42/824581542.db2.gz	TYKFNEWGPUETGT-YFKPBYRVSA-N	0	2	286.292	-0.663	20	30		CBEDLN
CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@@H]1O	ZINC001220829528	825108202	/nfs/dbraw/zinc/10/82/02/825108202.db2.gz	WDTJNRNNPMURBN-KGLIPLIRSA-N	0	2	297.399	-0.861	20	30		CBEDLN
C=CCOCC(=O)NC1CC[NH+](Cc2n[nH]c(=O)[n-]2)CC1	ZINC001226589069	825282717	/nfs/dbraw/zinc/28/27/17/825282717.db2.gz	ITJYWHYUCQNNFM-UHFFFAOYSA-N	0	2	295.343	-0.207	20	30		CBEDLN
C[C@@H](C#N)C(=O)N(C)C[C@H]1CCN1Cc1n[nH]c(=O)[nH]1	ZINC001231292938	825402664	/nfs/dbraw/zinc/40/26/64/825402664.db2.gz	HDWHRQDVLMHDQU-DTWKUNHWSA-N	0	2	278.316	-0.297	20	30		CBEDLN
Cn1cc(S(=O)(=O)Nc2cnc(C#N)nc2)cn1	ZINC001259820756	826099945	/nfs/dbraw/zinc/09/99/45/826099945.db2.gz	ODMBTJVCCSYIOT-UHFFFAOYSA-N	0	2	264.270	-0.117	20	30		CBEDLN
CCOC(=O)C(C#N)NS(=O)(=O)c1cn(C)c(C)n1	ZINC001260552151	826468435	/nfs/dbraw/zinc/46/84/35/826468435.db2.gz	WMJIBGMZRQFFKI-MRVPVSSYSA-N	0	2	286.313	-0.538	20	30		CBEDLN
CCOC(=O)[C@@H](C#N)NS(=O)(=O)c1cn(C)c(C)n1	ZINC001260552151	826468440	/nfs/dbraw/zinc/46/84/40/826468440.db2.gz	WMJIBGMZRQFFKI-MRVPVSSYSA-N	0	2	286.313	-0.538	20	30		CBEDLN
CCOC(=O)[C@@H](C#N)NS(=O)(=O)c1c(C)n[nH]c1C	ZINC001261032376	826483962	/nfs/dbraw/zinc/48/39/62/826483962.db2.gz	NYZMFTOOMXTHGX-MRVPVSSYSA-N	0	2	286.313	-0.240	20	30		CBEDLN
C#CCO[C@@H](C)C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[nH]2)C1	ZINC001267724178	827208910	/nfs/dbraw/zinc/20/89/10/827208910.db2.gz	RDWQDNNGJRXWIY-UWVGGRQHSA-N	0	2	293.327	-0.761	20	30		CBEDLN
C=C[C@@](C)(O)CC(=O)NC[C@H](C)[N@H+](C)Cc1n[nH]c(=O)[n-]1	ZINC001275818842	828117565	/nfs/dbraw/zinc/11/75/65/828117565.db2.gz	KZRYDHOVVMVWCL-TVQRCGJNSA-N	0	2	297.359	-0.226	20	30		CBEDLN
C=C[C@@](C)(O)CC(=O)NC[C@H](C)[N@@H+](C)Cc1n[nH]c(=O)[n-]1	ZINC001275818842	828117567	/nfs/dbraw/zinc/11/75/67/828117567.db2.gz	KZRYDHOVVMVWCL-TVQRCGJNSA-N	0	2	297.359	-0.226	20	30		CBEDLN
CC(C)C#CC(=O)NC[C@H]1CCN1Cc1n[nH]c(=O)[nH]1	ZINC001276841207	828161685	/nfs/dbraw/zinc/16/16/85/828161685.db2.gz	BFYKLAYNFGIHPM-SNVBAGLBSA-N	0	2	277.328	-0.140	20	30		CBEDLN
CN(C(=O)C#CC1CC1)C1CN(Cc2n[nH]c(=O)[nH]2)C1	ZINC001277593802	828196990	/nfs/dbraw/zinc/19/69/90/828196990.db2.gz	NJNXYKSTGQEIHF-UHFFFAOYSA-N	0	2	275.312	-0.434	20	30		CBEDLN
O=C1NC(=O)C(=NN[C@H]2CCCSC2)C(=O)N1	ZINC001330923542	886625338	/nfs/dbraw/zinc/62/53/38/886625338.db2.gz	IFYWWYKQZXNUBJ-YFKPBYRVSA-N	0	2	256.287	-0.806	20	30		CBEDLN
C=CC[NH2+][C@H](CO)CNC(=O)CCc1c[nH+]cn1C	ZINC001331818145	886997941	/nfs/dbraw/zinc/99/79/41/886997941.db2.gz	COPUQHSITJHBET-NSHDSACASA-N	0	2	266.345	-0.395	20	30		CBEDLN
C=CC[NH2+][C@@H](CO)CNC(=O)CCc1c[nH+]cn1C	ZINC001331818144	886998998	/nfs/dbraw/zinc/99/89/98/886998998.db2.gz	COPUQHSITJHBET-LLVKDONJSA-N	0	2	266.345	-0.395	20	30		CBEDLN
C#CCC1(O)CCN(C(=O)C[C@@H]2SC(=N)NC2=O)CC1	ZINC001332314658	887197730	/nfs/dbraw/zinc/19/77/30/887197730.db2.gz	JSRQIMRRRSOTTA-VIFPVBQESA-N	0	2	295.364	-0.080	20	30		CBEDLN
CO[C@@H](C)[C@@H](C)Nc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001339731242	889313927	/nfs/dbraw/zinc/31/39/27/889313927.db2.gz	WTOYBOKJQJANBN-RQJHMYQMSA-N	0	2	252.274	-0.219	20	30		CBEDLN
C#C[C@@H]([NH2+]Cc1cc(=O)n2[n-]c(N)nc2n1)[C@@H]1CCCO1	ZINC001328897594	885840714	/nfs/dbraw/zinc/84/07/14/885840714.db2.gz	RIVBVBYQKLCQSH-ZJUUUORDSA-N	0	2	288.311	-0.730	20	30		CBEDLN
N#Cc1c[nH]c(=O)n(Cc2nnc(C3CC3)o2)c1=O	ZINC001329410600	886055324	/nfs/dbraw/zinc/05/53/24/886055324.db2.gz	MOLFHLYANBYNKP-UHFFFAOYSA-N	0	2	259.225	-0.283	20	30		CBEDLN
COC[C@@](C)(C#N)NC(=O)C[C@H]1SC(=N)NC1=O	ZINC001334174957	887885222	/nfs/dbraw/zinc/88/52/22/887885222.db2.gz	SHFYKDXLSDHLGS-LHLIQPBNSA-N	0	2	270.314	-0.412	20	30		CBEDLN
CCOCCCNc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001336437594	888762871	/nfs/dbraw/zinc/76/28/71/888762871.db2.gz	XTKVRLJIGCSXQM-UHFFFAOYSA-N	0	2	252.274	-0.216	20	30		CBEDLN
C[C@H]1OCCN(c2[nH]c(=O)n(C)c(=O)c2C#N)[C@H]1C	ZINC001336561632	888795397	/nfs/dbraw/zinc/79/53/97/888795397.db2.gz	ROCDAJPFTSLFRD-JGVFFNPUSA-N	0	2	264.285	-0.441	20	30		CBEDLN
CC(C)OCCNc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001336592292	888805869	/nfs/dbraw/zinc/80/58/69/888805869.db2.gz	LUSLYDNKSBENTR-UHFFFAOYSA-N	0	2	252.274	-0.218	20	30		CBEDLN
CO[C@@H](C)CN(C)c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001336636229	888823933	/nfs/dbraw/zinc/82/39/33/888823933.db2.gz	GCNIQFFYYFTVEE-ZETCQYMHSA-N	0	2	252.274	-0.584	20	30		CBEDLN
Cn1c(=O)[nH]c(N[C@H]2CCOC2(C)C)c(C#N)c1=O	ZINC001336652729	888833071	/nfs/dbraw/zinc/83/30/71/888833071.db2.gz	MAUHISHWPFHORS-QMMMGPOBSA-N	0	2	264.285	-0.075	20	30		CBEDLN
C[C@@H]1CCC(=O)CN1c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001336735495	888858508	/nfs/dbraw/zinc/85/85/08/888858508.db2.gz	BXNNJDSGITYPRX-SSDOTTSWSA-N	0	2	262.269	-0.497	20	30		CBEDLN
C#CCN(Cc1n[nH]c(=O)[nH]1)[C@H]1CCS(=O)(=O)C1	ZINC001337205538	888977040	/nfs/dbraw/zinc/97/70/40/888977040.db2.gz	NWOUFLGXGZCJQO-QMMMGPOBSA-N	0	2	270.314	-0.867	20	30		CBEDLN
C[C@@H]1OCC[C@@]1(C)Nc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001339660524	889304480	/nfs/dbraw/zinc/30/44/80/889304480.db2.gz	OTNQQYDRDPMIRP-JVXZTZIISA-N	0	2	264.285	-0.075	20	30		CBEDLN
CCOC1CN(c2[nH]c(=O)n(C)c(=O)c2C#N)C1	ZINC001339728659	889313875	/nfs/dbraw/zinc/31/38/75/889313875.db2.gz	BVLSQAPVEVHHHS-UHFFFAOYSA-N	0	2	250.258	-0.830	20	30		CBEDLN
Cn1c(=O)[nH]c(NCCOCC2CC2)c(C#N)c1=O	ZINC001347990836	890545124	/nfs/dbraw/zinc/54/51/24/890545124.db2.gz	UUVSVBYLOBPULX-UHFFFAOYSA-N	0	2	264.285	-0.216	20	30		CBEDLN
Cn1c(=O)[nH]c(NCC[C@H]2CCOC2)c(C#N)c1=O	ZINC001348083314	890556402	/nfs/dbraw/zinc/55/64/02/890556402.db2.gz	DMLSOFFYGLFGMR-QMMMGPOBSA-N	0	2	264.285	-0.216	20	30		CBEDLN
Cn1c(=O)[nH]c(NCCOC2CCC2)c(C#N)c1=O	ZINC001354118835	891521169	/nfs/dbraw/zinc/52/11/69/891521169.db2.gz	BBBZCTXEVMMQJA-UHFFFAOYSA-N	0	2	264.285	-0.074	20	30		CBEDLN
N#C[C@H]1CC[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1	ZINC001361525973	892137643	/nfs/dbraw/zinc/13/76/43/892137643.db2.gz	ZLNTZTIZFZKAJC-DTWKUNHWSA-N	0	2	286.295	-0.120	20	30		CBEDLN
C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC001362613029	892839781	/nfs/dbraw/zinc/83/97/81/892839781.db2.gz	NAAGBVGYPPHGEE-KRTXAFLBSA-N	0	2	274.284	-0.453	20	30		CBEDLN
C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC001362613029	892839792	/nfs/dbraw/zinc/83/97/92/892839792.db2.gz	NAAGBVGYPPHGEE-KRTXAFLBSA-N	0	2	274.284	-0.453	20	30		CBEDLN
Cn1c(=O)[nH]c(N[C@H]2CC[C@H](CO)CC2)c(C#N)c1=O	ZINC001363141954	893401724	/nfs/dbraw/zinc/40/17/24/893401724.db2.gz	HHFOXVLVBUKTNC-KYZUINATSA-N	0	2	278.312	-0.092	20	30		CBEDLN
CCc1nn(C)cc1Nc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001363144829	893404023	/nfs/dbraw/zinc/40/40/23/893404023.db2.gz	PQINRCGRNXGIDM-UHFFFAOYSA-N	0	2	274.284	-0.015	20	30		CBEDLN
N#C[C@@]1(C(=O)NCc2nc(O)cc(=O)[nH]2)CCCOC1	ZINC001363149077	893408246	/nfs/dbraw/zinc/40/82/46/893408246.db2.gz	HAPIYLQNSGATID-LBPRGKRZSA-N	0	2	278.268	-0.176	20	30		CBEDLN
Cc1cnc(CCNc2[nH]c(=O)n(C)c(=O)c2C#N)cn1	ZINC001363152161	893410523	/nfs/dbraw/zinc/41/05/23/893410523.db2.gz	FBFYDLWWDHNXFL-UHFFFAOYSA-N	0	2	286.295	-0.302	20	30		CBEDLN
Cn1c(=O)[nH]c(N[C@@H](CO)[C@H]2CCCOC2)c(C#N)c1=O	ZINC001363150758	893410744	/nfs/dbraw/zinc/41/07/44/893410744.db2.gz	HGVFDLVRCYFITM-WPRPVWTQSA-N	0	2	294.311	-0.855	20	30		CBEDLN
Cn1cc(Cl)c(CNc2[nH]c(=O)n(C)c(=O)c2C#N)n1	ZINC001363157652	893417735	/nfs/dbraw/zinc/41/77/35/893417735.db2.gz	MDWYZIPIRRGUIW-UHFFFAOYSA-N	0	2	294.702	-0.056	20	30		CBEDLN
Cn1c(=O)[nH]c(N[C@H]2CCCC[C@H]2C(N)=O)c(C#N)c1=O	ZINC001363732618	893945659	/nfs/dbraw/zinc/94/56/59/893945659.db2.gz	LCXKTVRZCMTYCA-APPZFPTMSA-N	0	2	291.311	-0.599	20	30		CBEDLN
Cn1c(=O)[nH]c(N[C@H]2CCCC[C@@H]2C(N)=O)c(C#N)c1=O	ZINC001363732631	893946095	/nfs/dbraw/zinc/94/60/95/893946095.db2.gz	LCXKTVRZCMTYCA-CBAPKCEASA-N	0	2	291.311	-0.599	20	30		CBEDLN
Cn1c(=O)[nH]c(NCC2(C(N)=O)CCCC2)c(C#N)c1=O	ZINC001363741437	893956080	/nfs/dbraw/zinc/95/60/80/893956080.db2.gz	PNCGNWHUBAWNSK-UHFFFAOYSA-N	0	2	291.311	-0.597	20	30		CBEDLN
CO[C@H](CNc1[nH]c(=O)n(C)c(=O)c1C#N)[C@@H]1CCOC1	ZINC001363743908	893959874	/nfs/dbraw/zinc/95/98/74/893959874.db2.gz	NWMLQWFFHHGKFR-PSASIEDQSA-N	0	2	294.311	-0.591	20	30		CBEDLN
C[C@H](CC[S@@](C)=O)Nc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001364153361	894217255	/nfs/dbraw/zinc/21/72/55/894217255.db2.gz	XKBIMZLESPNKPP-QOLSBQFWSA-N	0	2	284.341	-0.486	20	30		CBEDLN
C[C@@H](CC[S@@](C)=O)Nc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001364153368	894218957	/nfs/dbraw/zinc/21/89/57/894218957.db2.gz	XKBIMZLESPNKPP-ZDVLTJLQSA-N	0	2	284.341	-0.486	20	30		CBEDLN
C[C@H](CO[C@@H]1CCOC1)Nc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001364168459	894226210	/nfs/dbraw/zinc/22/62/10/894226210.db2.gz	GGOWZLLOSHATHF-RKDXNWHRSA-N	0	2	294.311	-0.449	20	30		CBEDLN
Cn1c(=O)[nH]c(NCc2cc[nH]c(=O)c2)c(C#N)c1=O	ZINC001364173081	894228401	/nfs/dbraw/zinc/22/84/01/894228401.db2.gz	QQVGMYXHMYEDKD-UHFFFAOYSA-N	0	2	273.252	-0.342	20	30		CBEDLN
Cn1c(=O)[nH]c(N(CCO)CC(C)(C)C)c(C#N)c1=O	ZINC001364173790	894228831	/nfs/dbraw/zinc/22/88/31/894228831.db2.gz	SYYSLNNQXQOBMN-UHFFFAOYSA-N	0	2	280.328	-0.210	20	30		CBEDLN
CC(C)COC1CN(c2[nH]c(=O)n(C)c(=O)c2C#N)C1	ZINC001364176079	894234146	/nfs/dbraw/zinc/23/41/46/894234146.db2.gz	ZMXVLEQBABUORX-UHFFFAOYSA-N	0	2	278.312	-0.194	20	30		CBEDLN
CC[C@@]1(O)CCCN(c2[nH]c(=O)n(C)c(=O)c2C#N)C1	ZINC001364220997	894262469	/nfs/dbraw/zinc/26/24/69/894262469.db2.gz	KCGJQXZNANYXTF-CYBMUJFWSA-N	0	2	278.312	-0.313	20	30		CBEDLN
CCOC(=O)[C@@H]1CCN(c2[nH]c(=O)n(C)c(=O)c2C#N)C1	ZINC001364258950	894288889	/nfs/dbraw/zinc/28/88/89/894288889.db2.gz	VNCYESMURCSRMW-MRVPVSSYSA-N	0	2	292.295	-0.665	20	30		CBEDLN
CN(Cc1ccccn1)c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001364538932	894484662	/nfs/dbraw/zinc/48/46/62/894484662.db2.gz	RWHIRZNDFQTAOR-UHFFFAOYSA-N	0	2	271.280	-0.023	20	30		CBEDLN
CNC(=O)[C@@H]1CCC[C@@H]1Nc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001364556813	894493925	/nfs/dbraw/zinc/49/39/25/894493925.db2.gz	DYSVTKDIWMCQGM-APPZFPTMSA-N	0	2	291.311	-0.728	20	30		CBEDLN
Cn1c(=O)[nH]c(N2CC(C)(C)CC[C@@H]2CO)c(C#N)c1=O	ZINC001364585408	894507620	/nfs/dbraw/zinc/50/76/20/894507620.db2.gz	PPEJJQAITKMDAA-SECBINFHSA-N	0	2	292.339	-0.067	20	30		CBEDLN
COC[C@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)[C@@H]1CCCO1	ZINC001365220654	894825928	/nfs/dbraw/zinc/82/59/28/894825928.db2.gz	DOCJJBPEZRBNCC-UWVGGRQHSA-N	0	2	294.311	-0.449	20	30		CBEDLN
C[C@H](CO)[C@@H]1CCCCN1c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001365228741	894833212	/nfs/dbraw/zinc/83/32/12/894833212.db2.gz	DQZVXJXJAFYNAR-KOLCDFICSA-N	0	2	292.339	-0.067	20	30		CBEDLN
Cn1c(=O)[nH]c(N2C[C@@H]3[C@H](O)CC[C@@H]3C2)c(C#N)c1=O	ZINC001365238559	894835867	/nfs/dbraw/zinc/83/58/67/894835867.db2.gz	JHIJJSMAIMCZEE-FKTZTGRPSA-N	0	2	276.296	-0.848	20	30		CBEDLN
Cn1c(=O)[nH]c(NCc2ccc[nH]c2=O)c(C#N)c1=O	ZINC001365235030	894838493	/nfs/dbraw/zinc/83/84/93/894838493.db2.gz	AXDXFLDDPVDSEZ-UHFFFAOYSA-N	0	2	273.252	-0.342	20	30		CBEDLN
C[C@H]1CN(c2[nH]c(=O)n(C)c(=O)c2C#N)Cc2cncnc21	ZINC001365239371	894840500	/nfs/dbraw/zinc/84/05/00/894840500.db2.gz	VEARLSDSKNRZNK-QMMMGPOBSA-N	0	2	298.306	-0.141	20	30		CBEDLN
CN(CC(=O)NC(C)(C)C)c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001458074422	914622311	/nfs/dbraw/zinc/62/23/11/914622311.db2.gz	QLFUYAMHWKPRHU-UHFFFAOYSA-N	0	2	293.327	-0.704	20	30		CBEDLN
Cn1c(=O)[nH]c(NCC2(O)CCCC2)c(C#N)c1=O	ZINC001458139373	914631750	/nfs/dbraw/zinc/63/17/50/914631750.db2.gz	GDYHVDGVQCWNGV-UHFFFAOYSA-N	0	2	264.285	-0.338	20	30		CBEDLN
Cn1c(=O)[nH]c(N2CC[C@](F)(C#N)C2)c(C#N)c1=O	ZINC001458321360	914641608	/nfs/dbraw/zinc/64/16/08/914641608.db2.gz	SHHCQHORDOZEST-NSHDSACASA-N	0	2	263.232	-0.613	20	30		CBEDLN
CN(CCCCCO)c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001458343281	914644089	/nfs/dbraw/zinc/64/40/89/914644089.db2.gz	NDSGWYPTGCNJMM-UHFFFAOYSA-N	0	2	266.301	-0.456	20	30		CBEDLN
C=CCC[C@H](CO)Nc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001458368440	914645767	/nfs/dbraw/zinc/64/57/67/914645767.db2.gz	FHZGNMUJCSJIOP-MRVPVSSYSA-N	0	2	264.285	-0.316	20	30		CBEDLN
Cn1c(=O)[nH]c(N2C[C@@H](O)C(C)(C)C2)c(C#N)c1=O	ZINC001458353245	914647651	/nfs/dbraw/zinc/64/76/51/914647651.db2.gz	FCSNDKYYITZHFP-MRVPVSSYSA-N	0	2	264.285	-0.848	20	30		CBEDLN
COc1cccnc1CNc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001458435069	914654178	/nfs/dbraw/zinc/65/41/78/914654178.db2.gz	PDSHEEKEKCHWDR-UHFFFAOYSA-N	0	2	287.279	-0.039	20	30		CBEDLN
Cn1c(=O)[nH]c(NCC[C@H](O)C(F)F)c(C#N)c1=O	ZINC001458531927	914658905	/nfs/dbraw/zinc/65/89/05/914658905.db2.gz	TYGIQYVCSGBDCK-LURJTMIESA-N	0	2	274.227	-0.627	20	30		CBEDLN
CC(C)CNC(=O)CNc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001412870495	904775036	/nfs/dbraw/zinc/77/50/36/904775036.db2.gz	RVDIVPBENUANHI-UHFFFAOYSA-N	0	2	279.300	-0.871	20	30		CBEDLN
C[C@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)c1ccnn1C	ZINC001412907037	904793154	/nfs/dbraw/zinc/79/31/54/904793154.db2.gz	UCZZREDXIXUUGN-ZETCQYMHSA-N	0	2	274.284	-0.148	20	30		CBEDLN
Cn1c(=O)[nH]c(NC[C@@H](O)C2CCOCC2)c(C#N)c1=O	ZINC001413875694	905251489	/nfs/dbraw/zinc/25/14/89/905251489.db2.gz	AJQBGRQIPHFQTI-SNVBAGLBSA-N	0	2	294.311	-0.855	20	30		CBEDLN
Cc1cc(CNc2[nH]c(=O)n(C)c(=O)c2C#N)n(C)n1	ZINC001413889079	905256300	/nfs/dbraw/zinc/25/63/00/905256300.db2.gz	APFVXSWHVRHRJO-UHFFFAOYSA-N	0	2	274.284	-0.401	20	30		CBEDLN
CCCN(CC(C)(C)O)c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001413886420	905257945	/nfs/dbraw/zinc/25/79/45/905257945.db2.gz	XBVANTVZBORABP-UHFFFAOYSA-N	0	2	280.328	-0.067	20	30		CBEDLN
C[C@H](Cn1cncn1)Nc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001413886100	905258528	/nfs/dbraw/zinc/25/85/28/905258528.db2.gz	NVHPGIICWACJEF-SSDOTTSWSA-N	0	2	275.272	-0.963	20	30		CBEDLN
C[C@@H]1CCN(c2[nH]c(=O)n(C)c(=O)c2C#N)C[C@H]1CO	ZINC001413901047	905263901	/nfs/dbraw/zinc/26/39/01/905263901.db2.gz	PVFJLFHIYZORHO-BDAKNGLRSA-N	0	2	278.312	-0.600	20	30		CBEDLN
COC(=O)[C@@H]1C[C@@H]1CNc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001413906323	905266234	/nfs/dbraw/zinc/26/62/34/905266234.db2.gz	GSIBGVUEFAJPNT-RNFRBKRXSA-N	0	2	278.268	-0.834	20	30		CBEDLN
C[C@@H]1CN(c2[nH]c(=O)n(C)c(=O)c2C#N)[C@H](C)CCO1	ZINC001413915666	905267275	/nfs/dbraw/zinc/26/72/75/905267275.db2.gz	AWXUVYCDDGGEOB-RKDXNWHRSA-N	0	2	278.312	-0.051	20	30		CBEDLN
C[C@@H](C#N)C(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[nH]2)C1	ZINC001417904073	906100728	/nfs/dbraw/zinc/10/07/28/906100728.db2.gz	FVCMDODGZBYRHI-DTWKUNHWSA-N	0	2	278.316	-0.249	20	30		CBEDLN
Cc1nn(C)c(C)c1CNc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001421052938	907407058	/nfs/dbraw/zinc/40/70/58/907407058.db2.gz	DDEVNHNYFWCKFB-UHFFFAOYSA-N	0	2	288.311	-0.092	20	30		CBEDLN
CC(C)N1CC[C@H](Nc2[nH]c(=O)n(C)c(=O)c2C#N)C1=O	ZINC001421083533	907421262	/nfs/dbraw/zinc/42/12/62/907421262.db2.gz	QUWAJLDYIIFHOQ-VIFPVBQESA-N	0	2	291.311	-0.634	20	30		CBEDLN
CSC[C@@](C)(O)CNc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001421084183	907421426	/nfs/dbraw/zinc/42/14/26/907421426.db2.gz	SIGGJFOUPGWMRE-NSHDSACASA-N	0	2	284.341	-0.529	20	30		CBEDLN
Cn1c(=O)[nH]c(N2CC[C@@H](CCCO)C2)c(C#N)c1=O	ZINC001421153086	907446401	/nfs/dbraw/zinc/44/64/01/907446401.db2.gz	HUDWYRDVGRWJSZ-SECBINFHSA-N	0	2	278.312	-0.456	20	30		CBEDLN
C[C@@H]1CCCN(c2[nH]c(=O)n(C)c(=O)c2C#N)[C@H]1CCO	ZINC001421191144	907457143	/nfs/dbraw/zinc/45/71/43/907457143.db2.gz	ODOMNRBJUCJMDN-KOLCDFICSA-N	0	2	292.339	-0.067	20	30		CBEDLN
C[C@@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)[C@H](O)C(F)(F)F	ZINC001421215106	907469249	/nfs/dbraw/zinc/46/92/49/907469249.db2.gz	DYWZHJXUKCRJPP-XINAWCOVSA-N	0	2	292.217	-0.331	20	30		CBEDLN
Cn1c(=O)[nH]c(N[C@@H]2CC[C@H]([S@@](C)=O)C2)c(C#N)c1=O	ZINC001421289893	907486015	/nfs/dbraw/zinc/48/60/15/907486015.db2.gz	JMHHVAUPMJOEHG-SMPFOWEGSA-N	0	2	296.352	-0.343	20	30		CBEDLN
C[C@@H]1c2nncn2CCN1c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001434446456	910189262	/nfs/dbraw/zinc/18/92/62/910189262.db2.gz	NRLRMWBHPXPDTI-SSDOTTSWSA-N	0	2	287.283	-0.882	20	30		CBEDLN
Cn1c(=O)[nH]c(NC[C@@H](O)c2ccncc2)c(C#N)c1=O	ZINC001434445126	910189396	/nfs/dbraw/zinc/18/93/96/910189396.db2.gz	XTJZJATZFYHDMK-SNVBAGLBSA-N	0	2	287.279	-0.514	20	30		CBEDLN
Cn1c(=O)[nH]c(N[C@H]2CC[C@@H](O)[C@@H](O)CC2)c(C#N)c1=O	ZINC001434450079	910191891	/nfs/dbraw/zinc/19/18/91/910191891.db2.gz	CQJYHUSPRKDYMB-LETLQTKMSA-N	0	2	294.311	-0.978	20	30		CBEDLN
Cc1noc([C@@H](C)N(C)c2[nH]c(=O)n(C)c(=O)c2C#N)n1	ZINC001434449520	910193327	/nfs/dbraw/zinc/19/33/27/910193327.db2.gz	YBPDXIGXBGTZCW-ZCFIWIBFSA-N	0	2	290.283	-0.166	20	30		CBEDLN
N#Cc1ccc(NC(=O)Cn2c(=O)[nH]cc(C#N)c2=O)cc1	ZINC001434454096	910195883	/nfs/dbraw/zinc/19/58/83/910195883.db2.gz	OUICTYVXRJQMKN-UHFFFAOYSA-N	0	2	295.258	-0.081	20	30		CBEDLN
C[C@H](Cn1cc[nH+]c1)Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001472655061	915756686	/nfs/dbraw/zinc/75/66/86/915756686.db2.gz	XAIWOLFLBQPBQJ-MRVPVSSYSA-N	0	2	274.284	-0.358	20	30		CBEDLN
CCOC(=O)CCCNc1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001472650928	915757280	/nfs/dbraw/zinc/75/72/80/915757280.db2.gz	BRUMVUQTPWFTTG-UHFFFAOYSA-N	0	2	280.284	-0.300	20	30		CBEDLN
Cn1c(=O)[nH]c(NCC(C)(C)CO)c(C#N)c1=O	ZINC001472734386	915759690	/nfs/dbraw/zinc/75/96/90/915759690.db2.gz	GWGFLEZFNVZWJN-UHFFFAOYSA-N	0	2	252.274	-0.624	20	30		CBEDLN
C[C@@H](O)[C@H]1CCCN(c2[nH]c(=O)n(C)c(=O)c2C#N)C1	ZINC001472735896	915760677	/nfs/dbraw/zinc/76/06/77/915760677.db2.gz	SYSXADJPFNXQIQ-BDAKNGLRSA-N	0	2	278.312	-0.458	20	30		CBEDLN
Cn1c(=O)[nH]c(N[C@H]2CC[C@H](O)CC2)c(C#N)c1=O	ZINC001472733102	915761831	/nfs/dbraw/zinc/76/18/31/915761831.db2.gz	QDEVMNKWVPHGOK-ZKCHVHJHSA-N	0	2	264.285	-0.339	20	30		CBEDLN
Cc1ccnc(CNc2[nH]c(=O)n(C)c(=O)c2C#N)n1	ZINC001472810574	915768973	/nfs/dbraw/zinc/76/89/73/915768973.db2.gz	OPYNYZTXDZSXRB-UHFFFAOYSA-N	0	2	272.268	-0.344	20	30		CBEDLN
CC[C@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)C(C)(C)O	ZINC001472793219	915769463	/nfs/dbraw/zinc/76/94/63/915769463.db2.gz	AHPVOCLUVUXYRV-QMMMGPOBSA-N	0	2	266.301	-0.093	20	30		CBEDLN
CCN(c1[nH]c(=O)n(C)c(=O)c1C#N)[C@@H](C)CO	ZINC001472795562	915769986	/nfs/dbraw/zinc/76/99/86/915769986.db2.gz	GJXKQWVHQKZFSW-ZETCQYMHSA-N	0	2	252.274	-0.848	20	30		CBEDLN
C[C@H]1CN(c2[nH]c(=O)n(C)c(=O)c2C#N)C[C@@]1(C)CO	ZINC001472836124	915771736	/nfs/dbraw/zinc/77/17/36/915771736.db2.gz	XUTITXCCVSBWSQ-SDBXPKJASA-N	0	2	278.312	-0.600	20	30		CBEDLN
Cn1c(=O)[nH]c(N2CCn3nccc3C2)c(C#N)c1=O	ZINC001472841090	915771907	/nfs/dbraw/zinc/77/19/07/915771907.db2.gz	BYUBMTYSHLPSMH-UHFFFAOYSA-N	0	2	272.268	-0.838	20	30		CBEDLN
Cc1nc(CNc2[nH]c(=O)n(C)c(=O)c2C#N)[nH]c1C	ZINC001472883056	915778205	/nfs/dbraw/zinc/77/82/05/915778205.db2.gz	CXDVLGXXUDQZRT-UHFFFAOYSA-N	0	2	274.284	-0.103	20	30		CBEDLN
C#C[C@H](C)N(C)C(=O)NCc1nnc(CS(C)(=O)=O)[nH]1	ZINC001479427735	916129998	/nfs/dbraw/zinc/12/99/98/916129998.db2.gz	IIHGGNHDNVAKTA-QMMMGPOBSA-N	0	2	299.356	-0.488	20	30		CBEDLN
C=C[C@](C)(O)CC(=O)N(C)CC[N@H+](C)Cc1n[nH]c(=O)[n-]1	ZINC001496691428	920114040	/nfs/dbraw/zinc/11/40/40/920114040.db2.gz	BICWLSTVJBOICD-ZDUSSCGKSA-N	0	2	297.359	-0.272	20	30		CBEDLN
C=C[C@](C)(O)CC(=O)N(C)CC[N@@H+](C)Cc1n[nH]c(=O)[n-]1	ZINC001496691428	920114047	/nfs/dbraw/zinc/11/40/47/920114047.db2.gz	BICWLSTVJBOICD-ZDUSSCGKSA-N	0	2	297.359	-0.272	20	30		CBEDLN
C[C@@H]1COCCN1c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001515702681	922240542	/nfs/dbraw/zinc/24/05/42/922240542.db2.gz	QCFBPJOYOLTQIT-SSDOTTSWSA-N	0	2	250.258	-0.830	20	30		CBEDLN
CO[C@@H](CNc1[nH]c(=O)n(C)c(=O)c1C#N)C1CC1	ZINC001515785781	922241338	/nfs/dbraw/zinc/24/13/38/922241338.db2.gz	OEUNBDUDJMKEQA-VIFPVBQESA-N	0	2	264.285	-0.218	20	30		CBEDLN
Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)[C@H]1CCNC(=O)C1	ZINC001524704531	922647296	/nfs/dbraw/zinc/64/72/96/922647296.db2.gz	LWKLREUOIKHECB-DTWKUNHWSA-N	0	2	274.280	-0.162	20	30		CBEDLN
C=CCn1cc(C(=O)NCC2(CO)COC2)nn1	ZINC001545996251	923330883	/nfs/dbraw/zinc/33/08/83/923330883.db2.gz	NZCHDBKGKLOKKL-UHFFFAOYSA-N	0	2	252.274	-0.797	20	30		CBEDLN
CN(C[C@H]1C[C@@H](O)C1)c1[nH]c(=O)n(C)c(=O)c1C#N	ZINC001559257415	924217847	/nfs/dbraw/zinc/21/78/47/924217847.db2.gz	QKOHYWIILWKOEZ-OCAPTIKFSA-N	0	2	264.285	-0.848	20	30		CBEDLN
O=C(NC1=NC(=O)CN1)c1ccc2c(c1)OCC(=O)N2	ZINC000056214249	351546732	/nfs/dbraw/zinc/54/67/32/351546732.db2.gz	UOLQXQCGGHHQGM-UHFFFAOYSA-N	0	2	274.236	-0.192	20	30		CBEDLN
C=C[C@H](C)NS(=O)(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1	ZINC000152743630	351939963	/nfs/dbraw/zinc/93/99/63/351939963.db2.gz	QOOJSDACZBYHBY-LURJTMIESA-N	0	2	296.308	-0.536	20	30		CBEDLN
Cn1cccc(N=C([O-])N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)c1=O	ZINC000329947973	352800408	/nfs/dbraw/zinc/80/04/08/352800408.db2.gz	YRPHXPLRUMTNBW-NEPJUHHUSA-N	0	2	292.339	-0.054	20	30		CBEDLN
Cn1cccc(N=C([O-])N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)c1=O	ZINC000329947973	352800411	/nfs/dbraw/zinc/80/04/11/352800411.db2.gz	YRPHXPLRUMTNBW-NEPJUHHUSA-N	0	2	292.339	-0.054	20	30		CBEDLN
C=CCN1CC[C@H](N(C)Cc2n[nH]c(=O)[nH]2)C1=O	ZINC000532464547	354589584	/nfs/dbraw/zinc/58/95/84/354589584.db2.gz	FJFURPQYQZATFT-QMMMGPOBSA-N	0	2	251.290	-0.271	20	30		CBEDLN
CC(C)OC[C@@H](O)Cn1c(=O)[nH]cc(C#N)c1=O	ZINC000567859989	354801898	/nfs/dbraw/zinc/80/18/98/354801898.db2.gz	WFZBEJGBUDPPST-VIFPVBQESA-N	0	2	253.258	-0.806	20	30		CBEDLN
CN(CC1CC1)C(=O)Cn1c(=O)[nH]cc(C#N)c1=O	ZINC000573000452	354902915	/nfs/dbraw/zinc/90/29/15/354902915.db2.gz	CTEYMHQHEUXTAI-UHFFFAOYSA-N	0	2	262.269	-0.723	20	30		CBEDLN
N#Cc1c[nH]c(=O)n(CCOC[C@@H]2CCCO2)c1=O	ZINC000578358065	354944784	/nfs/dbraw/zinc/94/47/84/354944784.db2.gz	QOBXWVMKCMQVRT-JTQLQIEISA-N	0	2	265.269	-0.396	20	30		CBEDLN
C[C@@H]1CCCN(C(=O)Cn2c(=O)[nH]cc(C#N)c2=O)C1	ZINC000592354949	355148926	/nfs/dbraw/zinc/14/89/26/355148926.db2.gz	FPVFMCXBUMFNKP-SECBINFHSA-N	0	2	276.296	-0.333	20	30		CBEDLN
N#CCNC(=O)CNC(=O)C1=NN(c2ccccc2)CC1=O	ZINC000343537472	373050748	/nfs/dbraw/zinc/05/07/48/373050748.db2.gz	HAEFFGHEUNWQJG-UHFFFAOYSA-N	0	2	299.290	-0.053	20	30		CBEDLN
N#C[C@H]1CN(S(=O)(=O)NCC(F)(F)F)CCO1	ZINC000126983148	220208628	/nfs/dbraw/zinc/20/86/28/220208628.db2.gz	GJBJARJOGOEAEX-LURJTMIESA-N	0	2	273.236	-0.393	20	30		CBEDLN
C=CCNS(=O)(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1	ZINC000176631187	220220483	/nfs/dbraw/zinc/22/04/83/220220483.db2.gz	DBILHGMQUHQLEN-UHFFFAOYSA-N	0	2	282.281	-0.924	20	30		CBEDLN
C=CC[C@H](CO)NC(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1	ZINC000185908992	220229616	/nfs/dbraw/zinc/22/96/16/220229616.db2.gz	CCAIMZRDDUCKKD-MRVPVSSYSA-N	0	2	290.279	-0.722	20	30		CBEDLN
C#CCONC(=O)CNC(=O)CNC(=O)OC(C)(C)C	ZINC000291209785	220309192	/nfs/dbraw/zinc/30/91/92/220309192.db2.gz	ILYFMQLVAGAJMK-UHFFFAOYSA-N	0	2	285.300	-0.692	20	30		CBEDLN
CCN1CCOC[C@@H]1C(=O)NCc1n[nH]c(=O)[nH]1	ZINC000329224377	220333462	/nfs/dbraw/zinc/33/34/62/220333462.db2.gz	ZOJJBSZBXVUYGT-SSDOTTSWSA-N	0	2	255.278	-0.313	20	30		CBEDLN
N#Cc1cccnc1N1CCN(Cc2n[nH]c(=O)[nH]2)CC1	ZINC000092616889	135077068	/nfs/dbraw/zinc/07/70/68/135077068.db2.gz	JTAMHVOFYLTLHG-UHFFFAOYSA-N	0	2	285.311	-0.313	20	30		CBEDLN
CC(C)[C@H](C)NC(=O)Cn1c(=O)[nH]cc(C#N)c1=O	ZINC000575123058	335069272	/nfs/dbraw/zinc/06/92/72/335069272.db2.gz	RUBPTNFJOWPTNF-QMMMGPOBSA-N	0	2	264.285	-0.431	20	30		CBEDLN
C=C[C@H](O)C(=O)Nc1nnc(NS(C)(=O)=O)s1	ZINC000666975453	544651941	/nfs/dbraw/zinc/65/19/41/544651941.db2.gz	PNXQBHGZYIDEPL-BYPYZUCNSA-N	0	2	278.315	-0.605	20	30		CBEDLN
C[C@H]1C[C@H](C)CN(C(=O)Cn2c(=O)[nH]cc(C#N)c2=O)C1	ZINC000580310675	327779611	/nfs/dbraw/zinc/77/96/11/327779611.db2.gz	AFMOQZXDZAZNNC-UWVGGRQHSA-N	0	2	290.323	-0.087	20	30		CBEDLN
C#CCONC(=O)CNC(=O)/C=C/c1cccnc1	ZINC000493754107	332452667	/nfs/dbraw/zinc/45/26/67/332452667.db2.gz	MVYFIKZTLDLAKP-AATRIKPKSA-N	0	2	259.265	-0.108	20	30		CBEDLN
C#CCN(CC#C)C(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1	ZINC000175732112	333031341	/nfs/dbraw/zinc/03/13/41/333031341.db2.gz	NHWZBHAPKANVGV-UHFFFAOYSA-N	0	2	282.259	-0.680	20	30		CBEDLN
CCO[C@@H](C)c1noc(Cn2c(=O)[nH]cc(C#N)c2=O)n1	ZINC000564964000	334530977	/nfs/dbraw/zinc/53/09/77/334530977.db2.gz	RQLZOLXVRFMSOE-ZETCQYMHSA-N	0	2	291.267	-0.063	20	30		CBEDLN
CC#CCNC(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1	ZINC000154521230	334696658	/nfs/dbraw/zinc/69/66/58/334696658.db2.gz	HKWLSZGXIXAUJJ-UHFFFAOYSA-N	0	2	258.237	-0.636	20	30		CBEDLN
CC(C)OC[C@@H](C(=O)[O-])[N@H+](C)CC(=O)NCC#N	ZINC000827017240	582797821	/nfs/dbraw/zinc/79/78/21/582797821.db2.gz	WJEPATLWTAXSFW-VIFPVBQESA-N	0	2	257.290	-0.564	20	30		CBEDLN
CC(C)OC[C@@H](C(=O)[O-])[N@@H+](C)CC(=O)NCC#N	ZINC000827017240	582797823	/nfs/dbraw/zinc/79/78/23/582797823.db2.gz	WJEPATLWTAXSFW-VIFPVBQESA-N	0	2	257.290	-0.564	20	30		CBEDLN
C=C(C)C[C@@H](NC(C)=O)C(=O)NCC(=O)NOC	ZINC000832744787	583042711	/nfs/dbraw/zinc/04/27/11/583042711.db2.gz	JVBFYMOFQBYVKV-SECBINFHSA-N	0	2	257.290	-0.749	20	30		CBEDLN
O=C1NC(=O)C(=NN=c2[nH]c3ccccc3[nH]2)C(=O)N1	ZINC000203394644	582127029	/nfs/dbraw/zinc/12/70/29/582127029.db2.gz	JVBQCPQYBHXBST-UHFFFAOYSA-N	0	2	272.224	-0.303	20	30		CBEDLN
CCC[C@@H](C#N)NC(=O)Cn1[nH]cc2c(=O)ncnc1-2	ZINC000730543141	582150847	/nfs/dbraw/zinc/15/08/47/582150847.db2.gz	DZFMWHXHDUJMJH-QMMMGPOBSA-N	0	2	274.284	-0.120	20	30		CBEDLN
C#CCN1CCC[C@H]1C(=O)N1CCO[C@@H](c2nn[nH]n2)C1	ZINC000732091669	582156483	/nfs/dbraw/zinc/15/64/83/582156483.db2.gz	MPNNCMPXKRQPKA-WDEREUQCSA-N	0	2	290.327	-0.803	20	30		CBEDLN
C=CCCn1c(=O)c(-c2nn[nH]n2)cn(CC)c1=O	ZINC000735416871	582182094	/nfs/dbraw/zinc/18/20/94/582182094.db2.gz	SFFJWHXKCVFFAG-UHFFFAOYSA-N	0	2	262.273	-0.214	20	30		CBEDLN
CC#CCn1c(=O)c(-c2nn[nH]n2)cn(CC)c1=O	ZINC000735447999	582182755	/nfs/dbraw/zinc/18/27/55/582182755.db2.gz	GYEDWRFXQGOEOP-UHFFFAOYSA-N	0	2	260.257	-0.767	20	30		CBEDLN
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCO[C@@H](C(=O)[O-])C1	ZINC000736106287	582197426	/nfs/dbraw/zinc/19/74/26/582197426.db2.gz	XDUOVKMDTUBSAR-DTWKUNHWSA-N	0	2	285.300	-0.828	20	30		CBEDLN
C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCO[C@@H](C(=O)[O-])C1	ZINC000736106287	582197427	/nfs/dbraw/zinc/19/74/27/582197427.db2.gz	XDUOVKMDTUBSAR-DTWKUNHWSA-N	0	2	285.300	-0.828	20	30		CBEDLN
CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1C[C@H](O)C[C@H]1C(=O)[O-]	ZINC000736349785	582204778	/nfs/dbraw/zinc/20/47/78/582204778.db2.gz	PFCPNHGUKXCHCU-GBIKHYSHSA-N	0	2	283.328	-0.439	20	30		CBEDLN
CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1C[C@H](O)C[C@H]1C(=O)[O-]	ZINC000736349785	582204780	/nfs/dbraw/zinc/20/47/80/582204780.db2.gz	PFCPNHGUKXCHCU-GBIKHYSHSA-N	0	2	283.328	-0.439	20	30		CBEDLN
CC(C)[C@H](C#N)N1CC[NH+]([C@H](C)C(=O)NCC(=O)[O-])CC1	ZINC000736348555	582204882	/nfs/dbraw/zinc/20/48/82/582204882.db2.gz	ZHGAQMXONYTPMK-NEPJUHHUSA-N	0	2	296.371	-0.259	20	30		CBEDLN
N#Cc1[n-]c(NC(=O)CCn2cc[nH+]c2)nc1-c1nn[nH]n1	ZINC000737704657	582247618	/nfs/dbraw/zinc/24/76/18/582247618.db2.gz	INFFPMOWMLPJHL-UHFFFAOYSA-N	0	2	298.270	-0.313	20	30		CBEDLN
N#Cc1nc(NC(=O)CCn2cc[nH+]c2)[n-]c1-c1nn[nH]n1	ZINC000737704657	582247619	/nfs/dbraw/zinc/24/76/19/582247619.db2.gz	INFFPMOWMLPJHL-UHFFFAOYSA-N	0	2	298.270	-0.313	20	30		CBEDLN
C[C@@H]1CC(NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)=NO1	ZINC000765366032	582326860	/nfs/dbraw/zinc/32/68/60/582326860.db2.gz	CXPYGHODUUFCNV-ZCFIWIBFSA-N	0	2	276.256	-0.690	20	30		CBEDLN
C#Cc1cccc(NC(=O)C(=O)NCc2n[nH]c(=O)[nH]2)c1	ZINC000775530853	582352803	/nfs/dbraw/zinc/35/28/03/582352803.db2.gz	ZKXRCTAEWUDPLJ-UHFFFAOYSA-N	0	2	285.263	-0.254	20	30		CBEDLN
C[C@H]1CC(NC(=O)C[C@H]2SC(=N)NC2=O)=NO1	ZINC000777434792	582356590	/nfs/dbraw/zinc/35/65/90/582356590.db2.gz	BRQBYXRBWOQSLG-CRCLSJGQSA-N	0	2	256.287	-0.219	20	30		CBEDLN
C[C@H]1CC(NC(=O)CC2SC(=N)NC2=O)=NO1	ZINC000777434792	582356591	/nfs/dbraw/zinc/35/65/91/582356591.db2.gz	BRQBYXRBWOQSLG-CRCLSJGQSA-N	0	2	256.287	-0.219	20	30		CBEDLN
C[C@@H]1CC(NC(=O)C[C@@H]2SC(=N)NC2=O)=NO1	ZINC000777434794	582356630	/nfs/dbraw/zinc/35/66/30/582356630.db2.gz	BRQBYXRBWOQSLG-UHNVWZDZSA-N	0	2	256.287	-0.219	20	30		CBEDLN
C[C@@H]1CC(NC(=O)CC2SC(=N)NC2=O)=NO1	ZINC000777434794	582356631	/nfs/dbraw/zinc/35/66/31/582356631.db2.gz	BRQBYXRBWOQSLG-UHNVWZDZSA-N	0	2	256.287	-0.219	20	30		CBEDLN
C=CCN(CCOC)C(=O)Cn1[nH]cc2c(=O)ncnc1-2	ZINC000791347030	582392981	/nfs/dbraw/zinc/39/29/81/582392981.db2.gz	DYAAMXYOBAWCBD-UHFFFAOYSA-N	0	2	291.311	-0.268	20	30		CBEDLN
O=C1NC(=O)C(=NNc2ccncc2Cl)C(=O)N1	ZINC000814223341	582456025	/nfs/dbraw/zinc/45/60/25/582456025.db2.gz	GTKSCLLQWNYLPQ-UHFFFAOYSA-N	0	2	267.632	-0.709	20	30		CBEDLN
O=C1NC(=O)C(=NN=c2cc[nH]cc2Cl)C(=O)N1	ZINC000814223341	582456026	/nfs/dbraw/zinc/45/60/26/582456026.db2.gz	GTKSCLLQWNYLPQ-UHFFFAOYSA-N	0	2	267.632	-0.709	20	30		CBEDLN
CC1(C)CCC[C@H]1NN=C1C(=O)NC(=O)NC1=O	ZINC000814227467	582456202	/nfs/dbraw/zinc/45/62/02/582456202.db2.gz	HMJJTTZFHGGYTJ-ZCFIWIBFSA-N	0	2	252.274	-0.123	20	30		CBEDLN
O=C(N[C@H]1CCN(O)C1=O)c1ccc2[nH]nnc2c1	ZINC000816695239	582480761	/nfs/dbraw/zinc/48/07/61/582480761.db2.gz	YAGMNEURQQCJSF-QMMMGPOBSA-N	0	2	261.241	-0.322	20	30		CBEDLN
Cc1n[nH]c(NS(=O)(=O)N=S(C)(C)=O)c1C#N	ZINC000820802326	582584543	/nfs/dbraw/zinc/58/45/43/582584543.db2.gz	OMDNMRATMSVRIE-UHFFFAOYSA-N	0	2	277.331	-0.026	20	30		CBEDLN
C#CCCCNC(=O)NCC[NH+]1CCN(C(=O)[O-])CC1	ZINC000823444519	582669103	/nfs/dbraw/zinc/66/91/03/582669103.db2.gz	LKMBPVXJWLWVMW-UHFFFAOYSA-N	0	2	282.344	-0.005	20	30		CBEDLN
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