smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CNc1cc(N2CCC[C@H]2CN[C@@H](C)C(=O)N(C)CCC#N)ncn1	ZINC000105797704	436577572	/nfs/dbraw/zinc/57/75/72/436577572.db2.gz	FCVBTFXCHPEAAO-KBPBESRZSA-N	0	3	345.451	0.837	10	30		ECEEHN
CN(C)C[C@H]1CN(C(=O)CNC(=O)c2ccc(C#N)cc2)CCO1	ZINC000116977932	436655949	/nfs/dbraw/zinc/65/59/49/436655949.db2.gz	NRCVFCPZYVLHKS-HNNXBMFYSA-N	0	3	330.388	0.077	10	30		ECEEHN
CC(C)N1C[C@@H](C)[C@@H](NC(=O)N2CCO[C@H](c3nncn3C)C2)C1	ZINC000328627145	437241893	/nfs/dbraw/zinc/24/18/93/437241893.db2.gz	MLGUJKRBPJCWDE-RDBSUJKOSA-N	0	3	336.440	0.831	10	30		ECEEHN
CN(C)CCO[C@@H]1CN(C(=O)c2ccc(C#N)cc2)[C@@H]2COC[C@@H]12	ZINC000503715059	257832787	/nfs/dbraw/zinc/83/27/87/257832787.db2.gz	CEBCLWCXNHXBLR-BRWVUGGUSA-N	0	3	329.400	0.976	10	30		ECEEHN
CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccn(CCC#N)n1	ZINC000190356616	437622574	/nfs/dbraw/zinc/62/25/74/437622574.db2.gz	UYAGNLJCQUKZAC-ZIAGYGMSSA-N	0	3	344.419	0.820	10	30		ECEEHN
N#Cc1ccc(NC(=O)C(=O)NC[C@@H](O)CN2CCCCC2)c(F)c1	ZINC000135815350	436925741	/nfs/dbraw/zinc/92/57/41/436925741.db2.gz	ACJSRDVWLFUAHX-CYBMUJFWSA-N	0	3	348.378	0.599	10	30		ECEEHN
C[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccn(CCC#N)n1	ZINC000190105358	437615165	/nfs/dbraw/zinc/61/51/65/437615165.db2.gz	KVLGXEBJJADGLW-QWHCGFSZSA-N	0	3	330.392	0.430	10	30		ECEEHN
C=CCN1CCC(NC(=O)N2CCO[C@@H](c3nnc(C)[nH]3)C2)CC1	ZINC000175513127	437108012	/nfs/dbraw/zinc/10/80/12/437108012.db2.gz	YTLZDYJSTYYBMS-CQSZACIVSA-N	0	3	334.424	0.846	10	30		ECEEHN
C=CCN1CCC(NC(=O)N2CCO[C@@H](c3n[nH]c(C)n3)C2)CC1	ZINC000175513127	437108018	/nfs/dbraw/zinc/10/80/18/437108018.db2.gz	YTLZDYJSTYYBMS-CQSZACIVSA-N	0	3	334.424	0.846	10	30		ECEEHN
C[C@H](NCCC(=O)N(C)CCC#N)c1ccc(S(N)(=O)=O)cc1	ZINC000181569256	437324674	/nfs/dbraw/zinc/32/46/74/437324674.db2.gz	CJWOIQNGMMKWML-LBPRGKRZSA-N	0	3	338.433	0.747	10	30		ECEEHN
C=CCNC(=O)NC(=O)CN1CC[C@@H](CN(C)Cc2cccnc2)C1	ZINC000195301281	436688624	/nfs/dbraw/zinc/68/86/24/436688624.db2.gz	LZLXPPZZNIFGLQ-INIZCTEOSA-N	0	3	345.447	0.847	10	30		ECEEHN
N#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCN2CCC[C@H]2C1	ZINC000177901795	608943512	/nfs/dbraw/zinc/94/35/12/608943512.db2.gz	VZGJFSWCQIIYBY-ZDUSSCGKSA-N	0	3	346.362	0.973	10	30		ECEEHN
C#CCN1CCC(C(=O)N[C@@H]2CCCN(c3cccnn3)C2)CC1	ZINC000125043532	436762196	/nfs/dbraw/zinc/76/21/96/436762196.db2.gz	WCLQQOGEMPSSKB-MRXNPFEDSA-N	0	3	327.432	0.907	10	30		ECEEHN
C#CCOc1ccccc1NC(=O)C(=O)N1CCN2CCC[C@H]2C1	ZINC000184944011	437417363	/nfs/dbraw/zinc/41/73/63/437417363.db2.gz	LUBICZCCDYOJOX-AWEZNQCLSA-N	0	3	327.384	0.944	10	30		ECEEHN
C#CCN1CCC(C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)CC1	ZINC000108929624	436621677	/nfs/dbraw/zinc/62/16/77/436621677.db2.gz	CLHCTGPQUNPMGN-CYBMUJFWSA-N	0	3	349.456	0.856	10	30		ECEEHN
C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCN(CC)C2)cc1	ZINC000194646558	436669668	/nfs/dbraw/zinc/66/96/68/436669668.db2.gz	GGAIXJVNPHWOIV-OAHLLOKOSA-N	0	3	349.456	0.812	10	30		ECEEHN
CN1CCO[C@H](CN[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000245520139	165108084	/nfs/dbraw/zinc/10/80/84/165108084.db2.gz	JLIZAVPZNLUZMR-SJORKVTESA-N	0	3	328.416	0.974	10	30		ECEEHN
CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1ccn(CCC#N)n1	ZINC000249226268	436816798	/nfs/dbraw/zinc/81/67/98/436816798.db2.gz	UYAGNLJCQUKZAC-KGLIPLIRSA-N	0	3	344.419	0.820	10	30		ECEEHN
CN1CCO[C@H](CN[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000179989223	437278400	/nfs/dbraw/zinc/27/84/00/437278400.db2.gz	JLIZAVPZNLUZMR-IAGOWNOFSA-N	0	3	328.416	0.974	10	30		ECEEHN
Cc1cccc(NC(=O)C(=O)NC[C@@H](O)CN2CCCCC2)c1C#N	ZINC000174632354	231261819	/nfs/dbraw/zinc/26/18/19/231261819.db2.gz	MUMPUMPAXFERRK-CQSZACIVSA-N	0	3	344.415	0.768	10	30		ECEEHN
N#Cc1ccc(NC(=O)C(=O)NC[C@H](O)CN2CCCCC2)c(F)c1	ZINC000135815315	223607465	/nfs/dbraw/zinc/60/74/65/223607465.db2.gz	ACJSRDVWLFUAHX-ZDUSSCGKSA-N	0	3	348.378	0.599	10	30		ECEEHN
C=CCNC(=O)NC(=O)CN(C)C1CCN(CCn2cccn2)CC1	ZINC000105862987	436581785	/nfs/dbraw/zinc/58/17/85/436581785.db2.gz	KQQXGDMJINSUIQ-UHFFFAOYSA-N	0	3	348.451	0.291	10	30		ECEEHN
CCN1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccn(CCC#N)n1	ZINC000125464943	436771830	/nfs/dbraw/zinc/77/18/30/436771830.db2.gz	NPJNTBMVPNRZNG-CYBMUJFWSA-N	0	3	332.408	0.678	10	30		ECEEHN
C[C@H](O)CN1CCN(C[C@H](O)COc2ccc(C#N)cc2)C[C@@H]1C	ZINC000247382888	165160862	/nfs/dbraw/zinc/16/08/62/165160862.db2.gz	WBFIWSARHPGKJJ-ZOBUZTSGSA-N	0	3	333.432	0.685	10	30		ECEEHN
C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](N(C)C)C2)cc1	ZINC000170856878	436956454	/nfs/dbraw/zinc/95/64/54/436956454.db2.gz	SHPIDTLVYOXHPB-AWEZNQCLSA-N	0	3	335.429	0.374	10	30		ECEEHN
C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](N(C)C)C2)cc1	ZINC000170860308	436957555	/nfs/dbraw/zinc/95/75/55/436957555.db2.gz	ITYBWSSIBPHDND-CQSZACIVSA-N	0	3	337.445	0.927	10	30		ECEEHN
C[C@@H](NCCC(=O)N(C)CCC#N)c1ccc(S(N)(=O)=O)cc1	ZINC000181569275	437323236	/nfs/dbraw/zinc/32/32/36/437323236.db2.gz	CJWOIQNGMMKWML-GFCCVEGCSA-N	0	3	338.433	0.747	10	30		ECEEHN
Cc1c(C(=O)NN2CCN(C)CC2)oc2c1C(=NNC(=N)N)CCC2	ZINC000040824728	213389483	/nfs/dbraw/zinc/38/94/83/213389483.db2.gz	ZHUMDJVIQVRXAG-YBFXNURJSA-N	0	3	347.423	0.004	10	30		ECEEHN
C=CCN1CCC(NC(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)CC1	ZINC000175766420	437114863	/nfs/dbraw/zinc/11/48/63/437114863.db2.gz	YYZZYMMTFFTMSI-RDJZCZTQSA-N	0	3	336.480	0.999	10	30		ECEEHN
N#Cc1ccc(OCCn2ccnc(N3CCNCC3)c2=O)cc1	ZINC000038606889	213216798	/nfs/dbraw/zinc/21/67/98/213216798.db2.gz	NPOUWSCWNZKPSV-UHFFFAOYSA-N	0	3	325.372	0.604	10	30		ECEEHN
N#Cc1cccc(NC(=O)C(=O)NC[C@H](O)CN2CCCCC2)c1	ZINC000041643032	436280921	/nfs/dbraw/zinc/28/09/21/436280921.db2.gz	LDBVDZGHYAVNNZ-HNNXBMFYSA-N	0	3	330.388	0.460	10	30		ECEEHN
CC(C)N1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2ccn(CCC#N)n2)C1	ZINC000150796994	436691390	/nfs/dbraw/zinc/69/13/90/436691390.db2.gz	VYLLNIDIPMLQBA-OLZOCXBDSA-N	0	3	332.408	0.580	10	30		ECEEHN
C=CCN1CCC(NC(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)CC1	ZINC000175766458	437115503	/nfs/dbraw/zinc/11/55/03/437115503.db2.gz	YYZZYMMTFFTMSI-DOTOQJQBSA-N	0	3	336.480	0.999	10	30		ECEEHN
CC(C)N1C[C@H](C)[C@H](NC(=O)C(=O)Nc2ccn(CCC#N)n2)C1	ZINC000246549993	436782118	/nfs/dbraw/zinc/78/21/18/436782118.db2.gz	VYLLNIDIPMLQBA-QWHCGFSZSA-N	0	3	332.408	0.580	10	30		ECEEHN
C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCO[C@@H](c2nncn2C)C1	ZINC000328621269	437241045	/nfs/dbraw/zinc/24/10/45/437241045.db2.gz	HRJHVGXFNLWTMJ-KWCYVHTRSA-N	0	3	334.424	0.585	10	30		ECEEHN
CN(CCC#N)C(=O)CCN1CCCN(Cc2cnn(C)c2)CC1	ZINC000181563612	437324269	/nfs/dbraw/zinc/32/42/69/437324269.db2.gz	DGFBPAAISWFWFW-UHFFFAOYSA-N	0	3	332.452	0.690	10	30		ECEEHN
N#Cc1ccc(NC(=O)C(=O)NC[C@@H](O)CN2CCCCC2)cc1	ZINC000041642939	436280664	/nfs/dbraw/zinc/28/06/64/436280664.db2.gz	WZTVMSXWHWKSQD-OAHLLOKOSA-N	0	3	330.388	0.460	10	30		ECEEHN
CN(C)C[C@H]1CN(C(=O)NCCOc2ccc(C#N)cc2)CCO1	ZINC000175978397	437126083	/nfs/dbraw/zinc/12/60/83/437126083.db2.gz	ZGFMQCRCYVJYHY-INIZCTEOSA-N	0	3	332.404	0.909	10	30		ECEEHN
C[C@@H]1CCCN(CCNC(=O)N2CCO[C@@H](c3nncn3C)C2)C1	ZINC000328632457	437244613	/nfs/dbraw/zinc/24/46/13/437244613.db2.gz	RWRQRWNMAHHPGV-ZIAGYGMSSA-N	0	3	336.440	0.834	10	30		ECEEHN
Cc1cccc(NC(=O)C(=O)NC[C@H](O)CN2CCCCC2)c1C#N	ZINC000174632342	231262381	/nfs/dbraw/zinc/26/23/81/231262381.db2.gz	MUMPUMPAXFERRK-AWEZNQCLSA-N	0	3	344.415	0.768	10	30		ECEEHN
CN(C)C[C@@H]1CN(C(=O)CNC(=O)c2ccc(C#N)cc2)CCO1	ZINC000116977931	221017888	/nfs/dbraw/zinc/01/78/88/221017888.db2.gz	NRCVFCPZYVLHKS-OAHLLOKOSA-N	0	3	330.388	0.077	10	30		ECEEHN
C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCCN(CC)C2)c1	ZINC000194644854	436669495	/nfs/dbraw/zinc/66/94/95/436669495.db2.gz	WOWZVXQDHDVOHT-HNNXBMFYSA-N	0	3	349.456	0.812	10	30		ECEEHN
CCN1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccn(CCC#N)n1	ZINC000125465181	436771571	/nfs/dbraw/zinc/77/15/71/436771571.db2.gz	NPJNTBMVPNRZNG-ZDUSSCGKSA-N	0	3	332.408	0.678	10	30		ECEEHN
C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H]2C[NH3+])ccc1F	ZINC000160139162	611470802	/nfs/dbraw/zinc/47/08/02/611470802.db2.gz	OLQWXGVFMQLMQU-LBPRGKRZSA-N	0	3	341.408	0.853	10	30		ECEEHN
Cc1c(C(=O)N2CCN(C)CC2)oc2c1C(=NNC(=N)N)CCC2	ZINC000040824850	213390667	/nfs/dbraw/zinc/39/06/67/213390667.db2.gz	MBNFVBOENIFUKN-YBFXNURJSA-N	0	3	332.408	0.499	10	30		ECEEHN
C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1ccn(CCC#N)n1	ZINC000249169194	436817363	/nfs/dbraw/zinc/81/73/63/436817363.db2.gz	KVLGXEBJJADGLW-OLZOCXBDSA-N	0	3	330.392	0.430	10	30		ECEEHN
C[C@@H]1CCCN(CCNC(=O)N2CCO[C@H](c3nncn3C)C2)C1	ZINC000328632456	437244534	/nfs/dbraw/zinc/24/45/34/437244534.db2.gz	RWRQRWNMAHHPGV-KGLIPLIRSA-N	0	3	336.440	0.834	10	30		ECEEHN
CCN1CCN([C@H](C)CNC(=O)[C@@H]2CC[C@H](C(=O)N(C)C)O2)CC1	ZINC000329718293	437404955	/nfs/dbraw/zinc/40/49/55/437404955.db2.gz	YNUKFTYZRDNRGG-QLFBSQMISA-N	0	3	340.468	0.605	10	30		ECEEHN
N#Cc1ccc(NC(=O)C(=O)NC[C@H](O)CN2CCCCC2)cc1	ZINC000041642938	436280437	/nfs/dbraw/zinc/28/04/37/436280437.db2.gz	WZTVMSXWHWKSQD-HNNXBMFYSA-N	0	3	330.388	0.460	10	30		ECEEHN
C[C@@H](O)CN1CCC(CN(C)S(=O)(=O)CC2(C#N)CC2)CC1	ZINC000165550528	436936296	/nfs/dbraw/zinc/93/62/96/436936296.db2.gz	OBHGXKGXMIBZRM-CYBMUJFWSA-N	0	3	329.466	0.645	10	30		ECEEHN
Cc1c(C#N)cccc1NC(=O)C(=O)N1CCO[C@@H](CN(C)C)C1	ZINC000178517496	437218283	/nfs/dbraw/zinc/21/82/83/437218283.db2.gz	PHZHNFGLZDVZOK-AWEZNQCLSA-N	0	3	330.388	0.594	10	30		ECEEHN
C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCO[C@H](c2nncn2C)C1	ZINC000328621270	437241505	/nfs/dbraw/zinc/24/15/05/437241505.db2.gz	HRJHVGXFNLWTMJ-XBFCOCLRSA-N	0	3	334.424	0.585	10	30		ECEEHN
CC[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1ccn(CCC#N)n1	ZINC000249226262	436817075	/nfs/dbraw/zinc/81/70/75/436817075.db2.gz	UYAGNLJCQUKZAC-KBPBESRZSA-N	0	3	344.419	0.820	10	30		ECEEHN
CNc1cc(N2CCC[C@H]2CN[C@H](C)C(=O)N(C)CCC#N)ncn1	ZINC000105797707	436578630	/nfs/dbraw/zinc/57/86/30/436578630.db2.gz	FCVBTFXCHPEAAO-KGLIPLIRSA-N	0	3	345.451	0.837	10	30		ECEEHN
C[C@H](O)CN1CCN(C[C@@H](O)COc2ccc(C#N)cc2)C[C@H]1C	ZINC000247382822	165160088	/nfs/dbraw/zinc/16/00/88/165160088.db2.gz	WBFIWSARHPGKJJ-HLLBOEOZSA-N	0	3	333.432	0.685	10	30		ECEEHN
C#CCOCCC(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1	ZINC000151893955	436714771	/nfs/dbraw/zinc/71/47/71/436714771.db2.gz	UTEBIQLZPIRGTA-UHFFFAOYSA-N	0	3	330.432	0.832	10	30		ECEEHN
C=CCN1CCC(NC(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)CC1	ZINC000175766401	437115396	/nfs/dbraw/zinc/11/53/96/437115396.db2.gz	YYZZYMMTFFTMSI-WBVHZDCISA-N	0	3	336.480	0.999	10	30		ECEEHN
C=C1C/C(=C\C)C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@@]1(O)CO)[C@H]23	ZINC000085532047	560073089	/nfs/dbraw/zinc/07/30/89/560073089.db2.gz	SVCNNZDUGWLODJ-LCKOXJJCSA-N	0	3	349.383	0.085	10	30	biogenic,in-vitro	ECEEHN
CN(C)C[C@@H]1CN(S(=O)(=O)c2ccc(F)c(C#N)c2)CCO1	ZINC000116900973	221009513	/nfs/dbraw/zinc/00/95/13/221009513.db2.gz	ADYYTUNHJCUYGV-GFCCVEGCSA-N	0	3	327.381	0.648	10	30		ECEEHN
C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H](N(C)C)C2)cc1	ZINC000170843419	436957240	/nfs/dbraw/zinc/95/72/40/436957240.db2.gz	NLEDFKLAZJYQPR-OAHLLOKOSA-N	0	3	344.415	0.703	10	30		ECEEHN
CCN1CCN([C@@H](C)CNC(=O)[C@@H]2CC[C@H](C(=O)N(C)C)O2)CC1	ZINC000329718294	437405838	/nfs/dbraw/zinc/40/58/38/437405838.db2.gz	YNUKFTYZRDNRGG-SOUVJXGZSA-N	0	3	340.468	0.605	10	30		ECEEHN
N#Cc1ccc(C(=O)NCC(=O)NC[C@H](O)CN2CCCCC2)cc1	ZINC000155396374	436794592	/nfs/dbraw/zinc/79/45/92/436794592.db2.gz	IXAPOYNQZOEHPM-INIZCTEOSA-N	0	3	344.415	0.251	10	30		ECEEHN
C#CC[NH+]1CCC(C(=O)N2CCO[C@H](c3nnc(CC)[n-]3)C2)CC1	ZINC000173607819	437058180	/nfs/dbraw/zinc/05/81/80/437058180.db2.gz	XPIHHJQNPRBLTC-AWEZNQCLSA-N	0	3	331.420	0.612	10	30		ECEEHN
C#CCN1CCC(C(=O)N2CCO[C@H](c3n[nH]c(CC)n3)C2)CC1	ZINC000173607819	437058183	/nfs/dbraw/zinc/05/81/83/437058183.db2.gz	XPIHHJQNPRBLTC-AWEZNQCLSA-N	0	3	331.420	0.612	10	30		ECEEHN
C#CCN1CCC(C(=O)N2CCO[C@H](c3nnc(CC)[nH]3)C2)CC1	ZINC000173607819	437058189	/nfs/dbraw/zinc/05/81/89/437058189.db2.gz	XPIHHJQNPRBLTC-AWEZNQCLSA-N	0	3	331.420	0.612	10	30		ECEEHN
CN(C)C[C@H]1CN(S(=O)(=O)c2c(F)cc(C#N)cc2F)CCO1	ZINC000125502346	222570368	/nfs/dbraw/zinc/57/03/68/222570368.db2.gz	BGDLRCVQAGVIFM-NSHDSACASA-N	0	3	345.371	0.788	10	30		ECEEHN
CC(C)C[C@@H](CN(C)C)NC(=O)C(=O)Nc1ccn(CCC#N)n1	ZINC000124087683	436745553	/nfs/dbraw/zinc/74/55/53/436745553.db2.gz	ZYVIOQKXJVYDHY-ZDUSSCGKSA-N	0	3	334.424	0.828	10	30		ECEEHN
C[C@H](CN1CCCCC1)NC(=O)N1CCO[C@@H](c2nncn2C)C1	ZINC000328627722	437242593	/nfs/dbraw/zinc/24/25/93/437242593.db2.gz	MZRMNZKQYGIOBN-ZIAGYGMSSA-N	0	3	336.440	0.977	10	30		ECEEHN
CO[C@H]1C[C@@H](CN(C)CC(=O)NCc2ccc(C#N)cc2)N(C)C1	ZINC000284804532	264239879	/nfs/dbraw/zinc/23/98/79/264239879.db2.gz	KUSIHUBHZARGDK-IRXDYDNUSA-N	0	3	330.432	0.825	10	30		ECEEHN
N/N=C/c1ccc(N2CCN(C3CC[NH+](CC(=O)[O-])CC3)CC2)cc1	ZINC000090612453	436435131	/nfs/dbraw/zinc/43/51/31/436435131.db2.gz	PWIBJZBXBPVCAM-DEDYPNTBSA-N	0	3	345.447	0.650	10	30		ECEEHN
C[C@H](CN1CCCCC1)NC(=O)N1CCO[C@H](c2nncn2C)C1	ZINC000328627721	437241557	/nfs/dbraw/zinc/24/15/57/437241557.db2.gz	MZRMNZKQYGIOBN-KGLIPLIRSA-N	0	3	336.440	0.977	10	30		ECEEHN
Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H](O)CN1CCCCC1	ZINC000060607948	436634461	/nfs/dbraw/zinc/63/44/61/436634461.db2.gz	DNWQWEZFCIBLBA-HNNXBMFYSA-N	0	3	344.415	0.768	10	30		ECEEHN
C=CCn1nnn(CN2CCN(CCOC)[C@@H](CC)C2)c1=S	ZINC000117324704	589755408	/nfs/dbraw/zinc/75/54/08/589755408.db2.gz	NJFPISOHBUQTDO-ZDUSSCGKSA-N	0	3	326.470	0.995	10	30		ECEEHN
CN1CCO[C@@H](CN[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000245520138	165106662	/nfs/dbraw/zinc/10/66/62/165106662.db2.gz	JLIZAVPZNLUZMR-IRXDYDNUSA-N	0	3	328.416	0.974	10	30		ECEEHN
C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN3CCC[C@H]3C2)cc1	ZINC000195324694	436687297	/nfs/dbraw/zinc/68/72/97/436687297.db2.gz	TZWNRQDYJKCBQM-HNNXBMFYSA-N	0	3	347.440	0.518	10	30		ECEEHN
CN(C)C[C@H]1CN(S(=O)(=O)c2ccc(F)c(C#N)c2)CCO1	ZINC000116900975	221009037	/nfs/dbraw/zinc/00/90/37/221009037.db2.gz	ADYYTUNHJCUYGV-LBPRGKRZSA-N	0	3	327.381	0.648	10	30		ECEEHN
C[C@H](O)CN1CCN(C[C@H](O)COc2ccc(C#N)cc2)C[C@H]1C	ZINC000247382840	165160496	/nfs/dbraw/zinc/16/04/96/165160496.db2.gz	WBFIWSARHPGKJJ-VYDXJSESSA-N	0	3	333.432	0.685	10	30		ECEEHN
C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN3CCC[C@@H]3C2)cc1	ZINC000195324687	436688775	/nfs/dbraw/zinc/68/87/75/436688775.db2.gz	TZWNRQDYJKCBQM-OAHLLOKOSA-N	0	3	347.440	0.518	10	30		ECEEHN
N#Cc1cc(F)ccc1NC(=O)C(=O)NC[C@H](O)CN1CCCCC1	ZINC000175948305	437125062	/nfs/dbraw/zinc/12/50/62/437125062.db2.gz	OOJLBDVUPSMUPF-AWEZNQCLSA-N	0	3	348.378	0.599	10	30		ECEEHN
Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCO[C@@H](CN(C)C)C1	ZINC000177676752	437194318	/nfs/dbraw/zinc/19/43/18/437194318.db2.gz	BLGQQDKOHUSWEL-AWEZNQCLSA-N	0	3	330.388	0.594	10	30		ECEEHN
C=CCNC(=O)NC(=O)CN1CC[C@H](CN(C)Cc2cccnc2)C1	ZINC000195301294	436688505	/nfs/dbraw/zinc/68/85/05/436688505.db2.gz	LZLXPPZZNIFGLQ-MRXNPFEDSA-N	0	3	345.447	0.847	10	30		ECEEHN
N#Cc1c(NC(=O)CCN2C[C@@H](O)C[C@@H]2CO)sc2c1CCC2	ZINC000184715391	437410925	/nfs/dbraw/zinc/41/09/25/437410925.db2.gz	SKDBKRPHRQHEAP-MNOVXSKESA-N	0	3	335.429	0.865	10	30		ECEEHN
N#Cc1c(NC(=O)CCN2C[C@H](O)C[C@@H]2CO)sc2c1CCC2	ZINC000184715371	437410961	/nfs/dbraw/zinc/41/09/61/437410961.db2.gz	SKDBKRPHRQHEAP-GHMZBOCLSA-N	0	3	335.429	0.865	10	30		ECEEHN
C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CC[C@H](N(C)C)C2)cc1	ZINC000170843422	436957210	/nfs/dbraw/zinc/95/72/10/436957210.db2.gz	NLEDFKLAZJYQPR-HNNXBMFYSA-N	0	3	344.415	0.703	10	30		ECEEHN
COC[C@H](O)CN1CCC(Nc2nccc(C#N)c2[N+](=O)[O-])CC1	ZINC000089646224	436414098	/nfs/dbraw/zinc/41/40/98/436414098.db2.gz	SBOFWZLMDNYVLH-CYBMUJFWSA-N	0	3	335.364	0.745	10	30		ECEEHN
CN(C)C[C@@H]1CN(C(=O)NCCOc2ccc(C#N)cc2)CCO1	ZINC000175978382	437125339	/nfs/dbraw/zinc/12/53/39/437125339.db2.gz	ZGFMQCRCYVJYHY-MRXNPFEDSA-N	0	3	332.404	0.909	10	30		ECEEHN
C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccn(CCC#N)n1	ZINC000190105332	437616760	/nfs/dbraw/zinc/61/67/60/437616760.db2.gz	KVLGXEBJJADGLW-CHWSQXEVSA-N	0	3	330.392	0.430	10	30		ECEEHN
CNc1cc(N2CCC[C@@H]2CN[C@@H](C)C(=O)N(C)CCC#N)ncn1	ZINC000105797709	436577300	/nfs/dbraw/zinc/57/73/00/436577300.db2.gz	FCVBTFXCHPEAAO-UONOGXRCSA-N	0	3	345.451	0.837	10	30		ECEEHN
CC(C)CN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccn(CCC#N)n1	ZINC000129265483	436824858	/nfs/dbraw/zinc/82/48/58/436824858.db2.gz	YQSMVNWEUALOMP-CQSZACIVSA-N	0	3	346.435	0.972	10	30		ECEEHN
N#Cc1ccc(CNC(=O)CN[C@@H]2CCC[C@@H]2N2CC[C@@H](O)C2)cc1	ZINC000591665297	439053232	/nfs/dbraw/zinc/05/32/32/439053232.db2.gz	VJQDFNCGASBBDB-KURKYZTESA-N	0	3	342.443	0.752	10	30		ECEEHN
C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CC[C@@H](N(C)C)C1	ZINC000174006499	527107681	/nfs/dbraw/zinc/10/76/81/527107681.db2.gz	DVMPGGXYIINYJQ-CYBMUJFWSA-N	0	3	333.363	0.939	10	30		ECEEHN
CN(C)C[C@@H]1CN(S(=O)(=O)c2c(F)cc(C#N)cc2F)CCO1	ZINC000125502098	205013194	/nfs/dbraw/zinc/01/31/94/205013194.db2.gz	BGDLRCVQAGVIFM-LLVKDONJSA-N	0	3	345.371	0.788	10	30		ECEEHN
N#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCN2CCC[C@@H]2C1	ZINC000177901776	608943449	/nfs/dbraw/zinc/94/34/49/608943449.db2.gz	VZGJFSWCQIIYBY-CYBMUJFWSA-N	0	3	346.362	0.973	10	30		ECEEHN
N/N=C\c1ccc(N2CCN(C3CC[NH+](CC(=O)[O-])CC3)CC2)cc1	ZINC000090612451	436435143	/nfs/dbraw/zinc/43/51/43/436435143.db2.gz	PWIBJZBXBPVCAM-MOSHPQCFSA-N	0	3	345.447	0.650	10	30		ECEEHN
Cn1cc(CNC[C@@H]2OCCN(C)[C@H]2c2ccnn2C)cc1C#N	ZINC000886095055	590794681	/nfs/dbraw/zinc/79/46/81/590794681.db2.gz	LDEHGMGUMQYOBQ-IRXDYDNUSA-N	0	3	328.420	0.792	10	30		ECEEHN
C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN3CCC[C@H]3C2)c1	ZINC000195323437	436687782	/nfs/dbraw/zinc/68/77/82/436687782.db2.gz	LIPYTQXWCIHREP-HNNXBMFYSA-N	0	3	347.440	0.518	10	30		ECEEHN
C#CCOc1ccccc1NC(=O)C(=O)N1CCN2CCC[C@@H]2C1	ZINC000184943991	437417496	/nfs/dbraw/zinc/41/74/96/437417496.db2.gz	LUBICZCCDYOJOX-CQSZACIVSA-N	0	3	327.384	0.944	10	30		ECEEHN
CN(c1ncnc(N(CC#N)CC#N)c1[N+](=O)[O-])C1CCN(C)CC1	ZINC000040618030	213359183	/nfs/dbraw/zinc/35/91/83/213359183.db2.gz	DYECFIVZHIRGIA-UHFFFAOYSA-N	0	3	344.379	0.769	10	30		ECEEHN
CC(C)C[C@H](CN(C)C)NC(=O)C(=O)Nc1ccn(CCC#N)n1	ZINC000124087897	436746363	/nfs/dbraw/zinc/74/63/63/436746363.db2.gz	ZYVIOQKXJVYDHY-CYBMUJFWSA-N	0	3	334.424	0.828	10	30		ECEEHN
C#CC[NH+]1CCC(C(=O)N2CCO[C@@H](c3nnc(CC)[n-]3)C2)CC1	ZINC000173607830	437057926	/nfs/dbraw/zinc/05/79/26/437057926.db2.gz	XPIHHJQNPRBLTC-CQSZACIVSA-N	0	3	331.420	0.612	10	30		ECEEHN
C#CCN1CCC(C(=O)N2CCO[C@@H](c3n[nH]c(CC)n3)C2)CC1	ZINC000173607830	437057929	/nfs/dbraw/zinc/05/79/29/437057929.db2.gz	XPIHHJQNPRBLTC-CQSZACIVSA-N	0	3	331.420	0.612	10	30		ECEEHN
C#CCN1CCC(C(=O)N2CCO[C@@H](c3nnc(CC)[nH]3)C2)CC1	ZINC000173607830	437057933	/nfs/dbraw/zinc/05/79/33/437057933.db2.gz	XPIHHJQNPRBLTC-CQSZACIVSA-N	0	3	331.420	0.612	10	30		ECEEHN
N#Cc1cc(F)ccc1NC(=O)C(=O)NC[C@@H](O)CN1CCCCC1	ZINC000175948327	437125589	/nfs/dbraw/zinc/12/55/89/437125589.db2.gz	OOJLBDVUPSMUPF-CQSZACIVSA-N	0	3	348.378	0.599	10	30		ECEEHN
C=CCn1nnn(CN2CCN(CCOC)[C@H](CC)C2)c1=S	ZINC000117324700	589755442	/nfs/dbraw/zinc/75/54/42/589755442.db2.gz	NJFPISOHBUQTDO-CYBMUJFWSA-N	0	3	326.470	0.995	10	30		ECEEHN
C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](N(C)C)C2)c1	ZINC000170860453	436957786	/nfs/dbraw/zinc/95/77/86/436957786.db2.gz	RCDRVIOKOZWMTO-CQSZACIVSA-N	0	3	337.445	0.927	10	30		ECEEHN
CN(C)[C@@H]1CN(Cc2cnc3c(C#N)cnn3c2)C[C@@H]1n1ccnn1	ZINC000862497538	589941988	/nfs/dbraw/zinc/94/19/88/589941988.db2.gz	WWXWQAMOOQFSIK-CABCVRRESA-N	0	3	337.391	0.180	10	30		ECEEHN
C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](N(C)C)C2)cc1	ZINC000170860311	436956780	/nfs/dbraw/zinc/95/67/80/436956780.db2.gz	ITYBWSSIBPHDND-AWEZNQCLSA-N	0	3	337.445	0.927	10	30		ECEEHN
C=CCN1CCC(NC(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)CC1	ZINC000175766438	437114584	/nfs/dbraw/zinc/11/45/84/437114584.db2.gz	YYZZYMMTFFTMSI-NVXWUHKLSA-N	0	3	336.480	0.999	10	30		ECEEHN
CN(C)C[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)CCO1	ZINC000177676331	437193623	/nfs/dbraw/zinc/19/36/23/437193623.db2.gz	SKDXTUYJWXZEDF-CYBMUJFWSA-N	0	3	334.351	0.425	10	30		ECEEHN
C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CC[C@H](N(C)C)C1	ZINC000174006508	527108309	/nfs/dbraw/zinc/10/83/09/527108309.db2.gz	DVMPGGXYIINYJQ-ZDUSSCGKSA-N	0	3	333.363	0.939	10	30		ECEEHN
C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H](N(C)C)C2)c1	ZINC000170860454	436957767	/nfs/dbraw/zinc/95/77/67/436957767.db2.gz	RCDRVIOKOZWMTO-AWEZNQCLSA-N	0	3	337.445	0.927	10	30		ECEEHN
CCCCNC(=O)NCCNC[C@H](O)COc1ccccc1C#N	ZINC000028264694	436188950	/nfs/dbraw/zinc/18/89/50/436188950.db2.gz	NHOKDJVVRSPQNB-HNNXBMFYSA-N	0	3	334.420	0.987	10	30		ECEEHN
Cc1c(C#N)cccc1NC(=O)C(=O)N1CCO[C@H](CN(C)C)C1	ZINC000178517482	437218085	/nfs/dbraw/zinc/21/80/85/437218085.db2.gz	PHZHNFGLZDVZOK-CQSZACIVSA-N	0	3	330.388	0.594	10	30		ECEEHN
CC[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccn(CCC#N)n1	ZINC000190356634	437624235	/nfs/dbraw/zinc/62/42/35/437624235.db2.gz	UYAGNLJCQUKZAC-UONOGXRCSA-N	0	3	344.419	0.820	10	30		ECEEHN
CC(C)N1C[C@H](NC(=O)C(=O)Nc2ccn(CCC#N)n2)[C@@H](C)C1	ZINC000150797015	436690875	/nfs/dbraw/zinc/69/08/75/436690875.db2.gz	VYLLNIDIPMLQBA-STQMWFEESA-N	0	3	332.408	0.580	10	30		ECEEHN
Cc1c([C@H]2CN(Cc3cc(C#N)n(C)c3)C[C@@H]2C(N)=O)cnn1C	ZINC000888078750	586246229	/nfs/dbraw/zinc/24/62/29/586246229.db2.gz	UJRSRLMBBWEITO-CVEARBPZSA-N	0	3	326.404	0.640	10	30		ECEEHN
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCO[C@@H](C[NH+](C)C)C1	ZINC000116786347	436650909	/nfs/dbraw/zinc/65/09/09/436650909.db2.gz	JBKFPRMTQNENTC-AWEZNQCLSA-N	0	3	346.431	0.585	10	30		ECEEHN
C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](N(C)C)C2)cc1	ZINC000170856876	436957474	/nfs/dbraw/zinc/95/74/74/436957474.db2.gz	SHPIDTLVYOXHPB-CQSZACIVSA-N	0	3	335.429	0.374	10	30		ECEEHN
C=CCN1CCC(NC(=O)N2CCO[C@H](c3nnc(C)[nH]3)C2)CC1	ZINC000175513110	437106504	/nfs/dbraw/zinc/10/65/04/437106504.db2.gz	YTLZDYJSTYYBMS-AWEZNQCLSA-N	0	3	334.424	0.846	10	30		ECEEHN
C=CCN1CCC(NC(=O)N2CCO[C@H](c3n[nH]c(C)n3)C2)CC1	ZINC000175513110	437106507	/nfs/dbraw/zinc/10/65/07/437106507.db2.gz	YTLZDYJSTYYBMS-AWEZNQCLSA-N	0	3	334.424	0.846	10	30		ECEEHN
CN(C)C[C@H]1CN(C(=O)C(=O)Nc2ccc(F)cc2C#N)CCO1	ZINC000176010165	437127811	/nfs/dbraw/zinc/12/78/11/437127811.db2.gz	PKBNFCSARFRKIA-ZDUSSCGKSA-N	0	3	334.351	0.425	10	30		ECEEHN
Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@H](O)CN1CCCCC1	ZINC000178417160	437214812	/nfs/dbraw/zinc/21/48/12/437214812.db2.gz	XVAHATMQBSTECQ-HNNXBMFYSA-N	0	3	344.415	0.768	10	30		ECEEHN
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCO[C@H](C[NH+](C)C)C1	ZINC000116786344	436651028	/nfs/dbraw/zinc/65/10/28/436651028.db2.gz	JBKFPRMTQNENTC-CQSZACIVSA-N	0	3	346.431	0.585	10	30		ECEEHN
C#CCN1CCC(C(=O)N[C@H]2CCCN(c3cccnn3)C2)CC1	ZINC000125043716	436762439	/nfs/dbraw/zinc/76/24/39/436762439.db2.gz	WCLQQOGEMPSSKB-INIZCTEOSA-N	0	3	327.432	0.907	10	30		ECEEHN
Cn1cc([C@H]2CN(CCOc3cccc(C#N)c3)C[C@@H]2C(N)=O)cn1	ZINC000299746210	437111056	/nfs/dbraw/zinc/11/10/56/437111056.db2.gz	VUKUPJPRHLRIBL-SJORKVTESA-N	0	3	339.399	0.871	10	30		ECEEHN
Cn1cc([C@H]2CN(CCOc3ccc(C#N)cc3)C[C@@H]2C(N)=O)cn1	ZINC000286804506	437133097	/nfs/dbraw/zinc/13/30/97/437133097.db2.gz	QCZVDMVEIONMQP-SJORKVTESA-N	0	3	339.399	0.871	10	30		ECEEHN
Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@@H](O)CN1CCCCC1	ZINC000178417171	207685255	/nfs/dbraw/zinc/68/52/55/207685255.db2.gz	XVAHATMQBSTECQ-OAHLLOKOSA-N	0	3	344.415	0.768	10	30		ECEEHN
C[C@H](O)CN1CCN(C[C@@H](O)COc2ccc(C#N)cc2)C[C@@H]1C	ZINC000247382862	165160419	/nfs/dbraw/zinc/16/04/19/165160419.db2.gz	WBFIWSARHPGKJJ-YQQAZPJKSA-N	0	3	333.432	0.685	10	30		ECEEHN
N#Cc1cccc(NC(=O)C(=O)NC[C@@H](O)CN2CCCCC2)c1	ZINC000041643033	436281014	/nfs/dbraw/zinc/28/10/14/436281014.db2.gz	LDBVDZGHYAVNNZ-OAHLLOKOSA-N	0	3	330.388	0.460	10	30		ECEEHN
CNc1cc(N2CCC[C@@H]2CN[C@H](C)C(=O)N(C)CCC#N)ncn1	ZINC000105797712	436577700	/nfs/dbraw/zinc/57/77/00/436577700.db2.gz	FCVBTFXCHPEAAO-ZIAGYGMSSA-N	0	3	345.451	0.837	10	30		ECEEHN
C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](N(C)C)C2)c1	ZINC000170857518	436956985	/nfs/dbraw/zinc/95/69/85/436956985.db2.gz	TWDAQYDFNGZCBI-CQSZACIVSA-N	0	3	335.429	0.374	10	30		ECEEHN
CC(C)N1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2ccn(CCC#N)n2)C1	ZINC000246549979	436781869	/nfs/dbraw/zinc/78/18/69/436781869.db2.gz	VYLLNIDIPMLQBA-CHWSQXEVSA-N	0	3	332.408	0.580	10	30		ECEEHN
CC(C)N1C[C@@H](C)[C@@H](NC(=O)N2CCO[C@@H](c3nncn3C)C2)C1	ZINC000328627144	437241312	/nfs/dbraw/zinc/24/13/12/437241312.db2.gz	MLGUJKRBPJCWDE-HZSPNIEDSA-N	0	3	336.440	0.831	10	30		ECEEHN
N#Cc1ccc(C(=O)NCC(=O)NC[C@@H](O)CN2CCCCC2)cc1	ZINC000155396474	436795286	/nfs/dbraw/zinc/79/52/86/436795286.db2.gz	IXAPOYNQZOEHPM-MRXNPFEDSA-N	0	3	344.415	0.251	10	30		ECEEHN
CN(C)C[C@H]1CN(S(=O)(=O)c2ccc(F)cc2C#N)CCO1	ZINC000157672335	436830938	/nfs/dbraw/zinc/83/09/38/436830938.db2.gz	DZDNWQKIPRRNCW-ZDUSSCGKSA-N	0	3	327.381	0.648	10	30		ECEEHN
N#Cc1cc(NC(=O)C(=O)NC[C@H](O)CN2CCCCC2)ccc1F	ZINC000170839288	436954192	/nfs/dbraw/zinc/95/41/92/436954192.db2.gz	GRLNMRAMRSLJET-AWEZNQCLSA-N	0	3	348.378	0.599	10	30		ECEEHN
CN(C)C[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)cc2C#N)CCO1	ZINC000176010152	437129104	/nfs/dbraw/zinc/12/91/04/437129104.db2.gz	PKBNFCSARFRKIA-CYBMUJFWSA-N	0	3	334.351	0.425	10	30		ECEEHN
CCCCNC(=O)NCCNC[C@@H](O)COc1ccccc1C#N	ZINC000028264690	436189240	/nfs/dbraw/zinc/18/92/40/436189240.db2.gz	NHOKDJVVRSPQNB-OAHLLOKOSA-N	0	3	334.420	0.987	10	30		ECEEHN
C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN3CCC[C@@H]3C2)c1	ZINC000195323429	436687862	/nfs/dbraw/zinc/68/78/62/436687862.db2.gz	LIPYTQXWCIHREP-OAHLLOKOSA-N	0	3	347.440	0.518	10	30		ECEEHN
CN(C)[C@@H]1CN(c2nc3c(cc2C#N)COCC3)C[C@@H]1n1ccnn1	ZINC000858758504	589772015	/nfs/dbraw/zinc/77/20/15/589772015.db2.gz	QQTYUUMPIPKUSY-CVEARBPZSA-N	0	3	339.403	0.609	10	30		ECEEHN
COC[C@@H](O)CN1CCC(Nc2nccc(C#N)c2[N+](=O)[O-])CC1	ZINC000089646227	436414363	/nfs/dbraw/zinc/41/43/63/436414363.db2.gz	SBOFWZLMDNYVLH-ZDUSSCGKSA-N	0	3	335.364	0.745	10	30		ECEEHN
C[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1ccn(CCC#N)n1	ZINC000249169196	436816783	/nfs/dbraw/zinc/81/67/83/436816783.db2.gz	KVLGXEBJJADGLW-STQMWFEESA-N	0	3	330.392	0.430	10	30		ECEEHN
N#Cc1cc(NC(=O)C(=O)NC[C@@H](O)CN2CCCCC2)ccc1F	ZINC000170839291	436955920	/nfs/dbraw/zinc/95/59/20/436955920.db2.gz	GRLNMRAMRSLJET-CQSZACIVSA-N	0	3	348.378	0.599	10	30		ECEEHN
C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H](N(C)C)C2)c1	ZINC000170857520	436956917	/nfs/dbraw/zinc/95/69/17/436956917.db2.gz	TWDAQYDFNGZCBI-AWEZNQCLSA-N	0	3	335.429	0.374	10	30		ECEEHN
Cc1cccc(NC(=O)C(=O)N2CCO[C@@H](CN(C)C)C2)c1C#N	ZINC000177679125	437193273	/nfs/dbraw/zinc/19/32/73/437193273.db2.gz	SMYNFZSBITWVIP-ZDUSSCGKSA-N	0	3	330.388	0.594	10	30		ECEEHN
Cc1cccc(NC(=O)C(=O)N2CCO[C@H](CN(C)C)C2)c1C#N	ZINC000177679111	437194082	/nfs/dbraw/zinc/19/40/82/437194082.db2.gz	SMYNFZSBITWVIP-CYBMUJFWSA-N	0	3	330.388	0.594	10	30		ECEEHN
Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCO[C@H](CN(C)C)C1	ZINC000177676740	437193481	/nfs/dbraw/zinc/19/34/81/437193481.db2.gz	BLGQQDKOHUSWEL-CQSZACIVSA-N	0	3	330.388	0.594	10	30		ECEEHN
CN1CCO[C@@H](CN[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000179989239	437278899	/nfs/dbraw/zinc/27/88/99/437278899.db2.gz	JLIZAVPZNLUZMR-DLBZAZTESA-N	0	3	328.416	0.974	10	30		ECEEHN
C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCN(CC)C2)c1	ZINC000194644870	436669761	/nfs/dbraw/zinc/66/97/61/436669761.db2.gz	WOWZVXQDHDVOHT-OAHLLOKOSA-N	0	3	349.456	0.812	10	30		ECEEHN
CN(C)C[C@H]1CN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)CCO1	ZINC000177676345	437194498	/nfs/dbraw/zinc/19/44/98/437194498.db2.gz	SKDXTUYJWXZEDF-ZDUSSCGKSA-N	0	3	334.351	0.425	10	30		ECEEHN
Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H](O)CN1CCCCC1	ZINC000195211634	436682572	/nfs/dbraw/zinc/68/25/72/436682572.db2.gz	DNWQWEZFCIBLBA-OAHLLOKOSA-N	0	3	344.415	0.768	10	30		ECEEHN
N#Cc1ccc(CNC(=O)CN[C@@H]2CCC[C@@H]2N2CC[C@H](O)C2)cc1	ZINC000591665295	439053211	/nfs/dbraw/zinc/05/32/11/439053211.db2.gz	VJQDFNCGASBBDB-KSZLIROESA-N	0	3	342.443	0.752	10	30		ECEEHN
CN(C)C[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2C#N)CCO1	ZINC000157672171	436831098	/nfs/dbraw/zinc/83/10/98/436831098.db2.gz	DZDNWQKIPRRNCW-CYBMUJFWSA-N	0	3	327.381	0.648	10	30		ECEEHN
C[C@H](O)CN1CCC(CN(C)S(=O)(=O)CC2(C#N)CC2)CC1	ZINC000165550399	436935729	/nfs/dbraw/zinc/93/57/29/436935729.db2.gz	OBHGXKGXMIBZRM-ZDUSSCGKSA-N	0	3	329.466	0.645	10	30		ECEEHN